#DEFINITION	Reference Metabolome for Zanthoxylum armatum
#IDENTTFIER	RefMeta-Zanthoxylum armatum.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Zanthoxylum armatum
#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 Zanthoxylum armatum 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	999.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	10.0
71.54702	0.4
72.99278	0.7
73.02955	0.7
80.17487	0.3
81.03447	2.0
83.01387	0.8
83.05025	1.9
85.02955	2.5
87.00871	9.0
87.01382	0.7
89.02449	3.8
93.03455	73.7
94.03808	1.5
94.65745	0.4
95.01379	1.0
96.96020	2.2
97.02939	0.4
97.06590	0.8
99.00896	1.0
99.04517	0.9
101.02443	3.7
105.03464	1.2
106.04231	0.4
107.01392	0.5
108.02166	0.7
109.02946	1.5
111.00880	1.0
111.04517	9.3
113.02453	2.7
114.57188	0.3
117.03466	0.5
119.03487	1.0
121.02966	0.5
123.00864	1.6
124.01666	5.0
125.02419	2.0
127.04020	0.6
129.01923	1.0
131.04965	0.4
132.02188	0.5
133.02953	4.1
134.03732	21.8
135.04549	6.9
136.01601	0.7
137.02423	3.8
139.04016	2.6
143.03397	0.5
145.02963	1.5
147.08951	0.4
148.05273	0.8
149.02417	1.1
150.03207	1.2
150.84608	0.4
151.00352	0.8
151.04027	2.1
152.01187	1.7
153.01950	0.4
155.03484	4.5
159.04433	0.5
160.01614	2.1
160.05229	0.6
161.02429	6.4
162.03217	18.0
163.03777	0.9
165.01831	0.4
166.02695	0.7
173.04536	71.4
174.04898	1.7
175.03987	3.5
176.04759	2.0
177.01909	1.9
178.02675	1.4
179.03485	1.8
187.03979	0.8
189.01903	1.2
191.03545	2.4
191.05576	14.8
192.05824	0.5
193.05101	0.4
194.02055	0.5
203.03490	1.2
204.04268	10.1
205.05005	1.9
208.03647	0.5
219.03120	0.8
219.06601	11.1
220.06918	0.5
222.05231	0.6
231.10252	4.7
257.08121	0.8
275.09235	46.4
276.09659	2.1
305.30499	0.3
307.82516	0.4
308.09030	0.4
327.19803	0.4
341.06665	0.9
351.07071	0.8
352.07977	1.0
353.06790	0.5
354.07370	2.8
355.08197	0.6
369.09766	10.6
370.09918	0.4
372.08258	0.5
373.09311	1.0
445.70761	0.4
449.14511	94.0
450.14908	5.5
451.15332	0.6
532.61731	0.4
534.13806	6.0
549.16119	100.0
550.16376	6.5
837.29736	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64044	1.0
69.64456	0.5
71.01384	2.4
72.99323	0.6
73.02946	0.6
75.00873	0.4
83.01397	4.4
84.02177	1.7
85.02953	100.0
86.03294	1.2
87.00864	1.3
91.01896	1.8
95.01408	0.2
95.88052	0.3
99.00890	0.4
101.02451	0.6
103.00369	0.7
108.02167	1.8
109.02967	0.6
111.00887	11.7
112.01300	0.3
115.00356	0.4
117.03487	0.6
119.07058	0.2
123.00901	0.4
123.04539	6.9
124.01668	0.5
125.02502	0.4
129.01949	27.7
130.02246	0.5
132.02191	0.6
134.03746	10.2
135.04506	0.6
137.02464	0.5
147.03001	10.6
149.06073	2.1
152.01178	1.5
160.01666	3.9
161.02466	0.7
166.02718	0.3
167.03496	19.0
168.03818	0.4
173.00912	17.3
175.03987	4.5
176.04645	0.2
178.02715	0.9
191.01985	8.7
191.03662	0.5
192.04228	0.8
193.05058	9.2
194.05367	0.3
207.06593	0.9
209.02972	1.5
218.05780	0.3
218.94441	0.3
233.08270	0.3
235.06145	3.5
255.03072	1.0
261.07639	3.3
271.02521	1.9
279.05215	0.3
297.06137	8.1
298.06409	0.5
300.02762	4.0
301.03647	1.3
305.06537	0.4
323.04187	0.4
323.07755	4.3
341.05130	27.8
342.05453	1.2
359.06201	7.7
359.10773	0.3
367.06693	9.5
367.11298	0.6
368.06534	0.5
385.07776	4.0
463.08844	4.1
469.14935	0.3
535.10809	6.8
536.11218	0.5
614.53510	0.3
700.46674	0.3
705.34247	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51057	1.2
71.01376	2.0
72.99306	0.7
73.02950	0.6
75.00866	0.5
83.01382	4.2
83.75126	0.2
84.02161	1.9
85.02951	100.0
86.03297	1.0
87.00876	0.9
89.03961	0.2
91.01908	1.2
95.01353	0.3
99.00892	0.2
101.02434	0.7
103.00359	0.6
107.01409	0.2
108.02178	2.2
109.02947	0.8
110.00134	0.2
111.00885	9.9
115.00402	0.3
117.03448	0.6
121.02962	0.3
123.00919	0.6
123.04528	4.9
124.01649	0.7
124.04793	0.2
125.02458	0.3
129.01947	23.8
129.19263	0.2
130.02258	0.3
134.03741	8.8
135.04459	0.4
136.01582	0.2
137.02431	0.6
145.01486	0.5
147.02991	9.8
149.06084	1.2
151.00371	0.9
151.03949	0.3
152.01152	2.2
154.99803	0.4
160.01666	1.4
163.04012	0.5
164.04776	0.2
166.02649	0.5
167.03493	13.4
168.03763	0.4
173.00903	12.9
174.03325	0.3
175.03970	2.1
178.02716	0.7
181.05093	0.5
189.05556	0.2
191.01974	8.8
192.02551	0.3
192.04274	1.2
193.05054	9.9
194.05376	0.3
207.06546	1.1
209.02927	1.9
209.04443	0.2
220.03764	0.4
223.06116	0.3
235.06111	5.3
243.03050	0.2
255.02974	1.1
261.07761	0.9
271.02490	2.7
279.05045	1.1
297.06143	6.4
298.06503	0.2
300.02786	3.9
301.03464	1.5
305.06628	0.3
323.04095	0.4
323.07623	2.6
326.00668	0.2
341.05127	14.7
342.05505	0.7
349.05573	0.5
359.06177	7.9
360.06476	0.3
367.06689	12.3
368.06836	0.7
385.07755	4.4
386.08145	0.2
463.08835	3.9
464.09250	0.3
491.16156	0.6
535.10925	6.3
536.11285	0.5
693.17810	0.3
696.36505	0.2
743.31573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.569
Annotation	Unknow
Peak:m/z	Relative Intensity
112.37949	68.0
142.12506	64.5
272.59402	71.1
352.51065	67.4
374.27393	70.4
480.55270	70.1
483.12119	76.3
483.32233	75.0
602.76080	76.5
870.82941	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	998.569
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65079	100.0
291.01434	33.3
444.93976	42.7
528.11017	34.5
809.78973	42.4
816.53247	38.9
861.93890	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	997.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	2.4
70.61209	0.1
71.01003	0.3
71.01379	3.3
71.05038	0.1
72.99302	0.2
73.02945	0.2
81.03453	2.0
83.01375	0.2
83.05017	1.6
85.02946	0.8
87.00874	13.2
93.03454	82.4
94.03791	1.3
95.01371	0.2
95.05003	0.3
97.02924	0.4
98.20774	0.2
99.00880	1.5
99.04514	1.4
101.02431	0.2
103.34973	0.1
105.03457	0.7
108.02151	0.3
109.02934	0.8
111.00861	0.3
111.04514	10.6
113.02447	1.3
115.03980	0.7
117.03486	0.3
121.02925	0.2
123.04528	0.2
124.01695	0.2
125.02489	0.2
127.04058	0.3
129.01945	1.6
132.02151	0.3
133.02948	2.5
134.03735	5.4
135.04526	4.6
137.02452	0.9
143.03513	0.8
149.02354	0.2
150.03255	0.2
151.04050	0.3
152.12566	0.1
153.01987	0.2
155.03491	2.8
160.01645	0.5
161.02440	0.5
162.03236	1.7
167.03488	0.2
173.04536	41.4
174.04913	0.7
177.01965	0.3
178.02641	0.3
179.03561	0.7
187.07585	0.2
191.05605	4.5
229.98209	0.1
231.10249	3.9
252.51227	0.2
257.08179	0.4
275.09241	6.3
276.09625	0.2
308.08997	0.5
351.07178	0.4
352.07831	0.9
386.50781	0.1
449.14490	100.0
450.14816	6.5
455.88156	0.1
486.11453	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	991.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	3.1
72.99326	0.2
73.02951	0.4
83.01398	0.3
85.02962	0.9
86.00900	0.1
87.00890	0.2
89.01929	0.2
89.02449	2.6
95.01412	0.2
99.00853	0.2
101.02455	2.3
101.12880	0.1
107.05012	0.2
109.02959	0.2
111.00941	0.1
113.02444	1.5
119.01385	0.4
119.03507	1.4
119.05851	0.1
121.02969	0.3
124.01721	0.2
125.02460	0.1
129.01953	0.1
129.07092	0.1
131.03523	0.2
135.04532	10.4
136.04851	0.3
137.02505	0.5
143.03479	0.4
143.05025	0.2
149.02438	0.2
149.06053	0.3
159.03076	0.2
161.04587	1.4
161.05981	0.2
163.04015	75.5
164.04344	2.0
177.05595	0.3
178.06357	64.3
179.05547	0.2
179.06819	1.6
192.70741	0.1
193.08699	100.0
194.07280	0.2
194.09027	3.1
317.30884	0.1
372.08530	0.2
387.10193	0.2
387.14603	2.2
388.14706	0.1
397.14948	0.3
549.20087	1.6
550.20197	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	995.413
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	2.9
69.18571	9.9
69.18978	2.4
71.01381	100.0
72.99319	7.5
73.02945	60.6
73.03360	2.5
75.00909	1.4
77.49749	1.1
79.07803	1.1
81.03449	1.4
83.01388	21.9
83.14559	1.1
85.02946	19.4
87.00881	4.9
89.02443	52.8
93.03468	6.4
95.01376	5.4
97.02914	2.1
99.00826	1.7
101.02441	84.3
102.02753	1.5
109.02957	2.3
113.02445	46.6
119.03507	23.1
119.04999	3.5
121.02937	2.7
125.02422	6.0
128.03502	1.1
131.03482	10.4
132.05782	1.8
134.03735	1.9
135.04533	2.9
136.01711	1.4
137.02443	2.8
139.80327	1.2
143.03497	15.7
149.04555	15.8
150.03270	1.5
151.00395	1.3
151.04033	1.5
153.01936	2.4
155.03465	2.5
159.04469	1.4
161.04529	27.9
163.03903	1.5
165.05565	1.4
171.04526	2.8
172.05264	3.6
173.04549	3.4
173.06073	5.0
179.05603	18.7
181.01440	12.3
191.05598	9.2
196.03786	8.0
196.05298	1.4
201.05573	1.3
203.05562	3.0
211.06094	15.7
221.06589	7.7
231.10173	1.6
269.11752	3.1
275.09213	3.3
282.65030	1.2
285.04248	1.6
293.08191	4.8
300.02628	2.4
311.05676	2.0
315.04916	1.3
321.07645	5.8
322.08423	19.0
337.10803	98.6
338.11084	3.8
373.22403	10.5
415.17743	2.3
415.23343	41.9
416.23730	2.3
431.10123	1.6
431.17032	8.1
447.09030	1.4
449.14594	4.6
463.96283	1.3
491.19287	6.6
517.17059	6.8
535.18085	4.8
545.19757	1.5
577.15991	1.3
755.27307	1.6
974.66504	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	997.189
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54770	0.2
71.55161	0.2
83.01393	0.5
85.02937	0.3
91.01904	0.2
93.03452	0.2
95.01324	0.1
104.02564	0.1
104.24247	0.1
107.01384	1.4
108.02155	1.1
108.95409	0.2
109.02939	0.9
121.02953	0.7
125.02461	0.5
127.30030	0.1
135.00859	0.6
136.74202	0.2
148.01645	1.0
149.02446	0.3
150.03171	0.2
151.00369	6.4
151.01588	0.3
152.01013	0.2
153.94778	0.1
159.04475	0.2
161.02483	0.2
163.00363	1.5
163.03947	0.2
164.01157	0.5
165.01932	0.2
165.05557	0.2
169.01485	0.2
175.03926	0.2
178.99870	2.5
183.04480	0.3
187.03961	0.3
190.99835	0.2
191.05574	0.4
192.00641	0.2
193.01286	0.2
195.06654	0.2
198.03189	0.2
199.03947	0.5
201.01974	0.1
203.03531	0.3
211.04015	0.6
215.03508	0.4
216.04237	0.4
226.02669	1.1
227.03453	1.9
229.01495	0.2
229.05005	0.4
243.02979	6.7
244.03537	0.4
245.04495	0.6
254.02216	1.6
255.02975	19.5
256.03433	1.0
271.02460	40.5
272.02960	2.3
273.03983	0.6
283.02521	0.7
284.03296	1.2
285.04019	2.3
286.04526	0.2
299.01987	1.0
300.02731	80.3
301.03445	20.6
302.03806	0.8
327.05066	0.2
447.09222	2.0
463.08817	2.6
473.76895	0.2
488.94434	0.2
505.09848	100.0
506.10144	7.5
613.22894	0.5
622.59595	0.2
622.69360	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62519	0.7
69.62930	0.8
71.01364	0.8
73.02934	0.3
80.58064	0.3
85.02928	0.4
89.02436	0.3
101.02435	0.5
106.00341	0.2
107.01380	1.4
108.02152	0.5
109.02943	0.7
113.02481	0.4
119.01270	0.4
121.02963	1.0
135.00865	0.5
148.01666	0.6
151.00374	6.0
161.02396	0.4
163.00404	1.4
163.04005	0.3
164.01128	0.5
169.01379	0.3
170.03534	0.3
178.99835	2.9
183.04558	0.3
187.03993	0.3
191.05640	0.5
199.03842	0.6
203.03441	0.4
211.03937	0.6
215.03365	0.3
216.04329	0.4
226.02646	1.6
227.03461	1.8
228.04170	0.3
243.02951	7.5
243.05302	0.5
244.03333	0.4
245.04550	0.6
254.02231	2.2
255.02985	12.1
256.03439	0.5
271.02460	37.8
272.03003	2.8
273.04080	0.6
283.02518	0.5
299.02036	0.7
300.02737	59.7
301.03485	27.3
301.06357	0.4
302.03772	1.2
343.04425	0.4
415.23358	1.4
463.08798	100.0
464.09137	5.7
475.25806	0.6
507.10464	0.7
551.66046	0.3
700.48920	0.3
702.24872	0.3
915.56195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5894
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	0.7
70.91485	0.2
71.01378	8.1
72.99298	0.7
73.02933	1.2
79.72222	0.3
81.03484	0.4
83.01389	1.3
85.02950	1.7
86.14500	0.3
87.00883	1.8
89.02440	7.0
93.03471	0.4
95.01394	0.5
95.47289	0.3
96.44262	0.2
97.02934	1.2
97.06554	0.5
99.00866	0.5
99.08131	0.3
101.01801	0.4
101.02445	6.2
104.03542	0.3
111.66536	0.2
113.02456	3.2
113.09735	0.4
116.92855	0.9
119.03500	2.1
121.10233	0.6
123.08170	0.4
125.02439	3.2
125.09734	1.3
127.11272	2.8
129.09222	1.0
137.09683	0.5
139.11292	5.3
143.03497	1.2
151.11200	0.6
153.09200	0.5
155.10718	1.5
161.04552	1.7
165.09186	0.3
167.03520	0.3
167.10783	0.3
169.12323	0.6
171.10258	31.1
172.10585	1.2
179.05624	1.3
181.12259	0.8
183.10262	2.4
183.13858	0.4
185.10229	0.4
185.11812	5.2
191.88387	0.3
197.11772	1.5
199.13383	0.8
201.11304	6.0
205.10857	0.3
211.13448	2.2
221.06592	0.3
229.17749	0.3
235.08218	2.8
249.22270	0.4
253.09158	0.7
275.20163	1.8
277.21710	20.2
278.22018	0.8
287.07922	1.4
293.21237	9.1
305.08716	1.4
311.22256	100.0
312.22610	4.9
323.09589	0.4
391.97739	0.3
397.13474	37.2
398.13739	1.5
415.14545	11.9
416.14478	0.5
675.35791	2.6
1011.39093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
70.35285	0.8
83.01382	0.3
85.02911	0.2
88.99738	0.2
89.98421	0.2
91.46943	0.2
98.20566	0.3
107.01382	1.7
108.02177	1.0
109.02956	0.7
116.72903	0.2
121.02968	1.1
121.55191	0.2
125.02387	0.2
127.31724	0.2
135.00894	0.8
138.77411	0.2
145.73030	0.2
148.01656	0.9
149.02405	0.3
151.00363	6.3
159.04437	0.3
161.02473	0.3
163.00401	1.4
164.01083	0.6
178.99866	2.7
183.04536	0.3
183.28897	0.2
187.03966	0.3
190.99887	0.2
199.03925	0.5
203.03473	0.4
211.04079	0.3
215.03407	0.5
216.04201	0.4
226.02693	1.0
227.03511	1.7
229.05060	0.3
243.02962	6.5
244.03371	0.4
245.04474	0.6
254.02153	1.8
255.02963	19.8
256.03418	1.1
271.02457	42.2
272.02902	3.6
273.03912	0.4
283.02551	0.5
299.01984	1.0
300.02728	81.9
301.03427	21.9
302.03653	1.2
431.09903	0.4
433.07452	0.9
447.09644	0.3
463.08853	3.0
505.09848	100.0
506.10184	9.2
507.10156	1.3
979.28552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	1.6
71.01375	2.6
73.42119	0.3
81.03455	1.1
83.05025	1.2
83.09944	0.3
85.02940	2.0
87.00867	6.5
93.03455	40.1
94.03796	1.0
97.06592	0.5
99.00854	0.8
99.04514	0.6
101.02457	0.3
105.03459	0.8
107.05009	0.6
108.02161	3.3
109.02953	1.9
111.00860	1.0
111.04515	4.9
113.02449	0.5
120.20724	0.3
121.02953	3.0
122.03739	1.7
123.00890	0.4
123.04530	0.6
124.01653	7.4
125.02464	4.0
126.03220	2.0
127.04031	1.1
129.01913	0.7
132.02177	0.9
133.02953	5.0
134.03738	15.7
135.04521	100.0
136.04938	1.4
137.02429	4.0
139.04050	0.6
143.03436	0.4
145.02892	0.4
146.05824	0.4
149.02432	0.8
150.03212	5.3
151.03999	14.9
154.02672	0.4
155.03479	1.0
160.01648	1.4
161.02429	2.6
162.03201	0.6
163.03999	0.8
165.01950	0.7
165.05557	0.4
167.03456	0.6
171.03110	0.4
173.04533	26.4
174.04996	0.5
175.04007	0.9
175.41498	0.3
177.01941	1.9
177.05527	0.5
178.02744	1.6
179.03487	23.8
180.04205	1.7
181.05072	0.5
184.06075	0.3
191.05598	22.1
192.05959	0.3
194.02193	1.1
211.13454	1.1
231.10191	0.5
233.33226	0.4
257.08185	5.0
275.09241	4.1
278.63596	0.4
289.07120	0.5
290.08063	1.8
300.12650	0.3
306.07428	1.4
307.08234	11.2
308.08972	19.9
309.09299	0.6
323.07748	1.4
337.09192	0.4
351.07117	2.1
352.07965	58.6
353.08301	2.6
369.80853	0.4
371.11319	1.6
449.14502	63.4
450.14920	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	980.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01406	44.2
121.02967	68.5
122.99082	34.3
164.79440	38.2
209.11797	100.0
210.12186	70.4
212.57266	39.2
248.76529	37.5
276.20999	45.3
291.19775	70.4
293.21332	91.3
307.19263	53.3
309.20465	65.3
397.13538	71.5
534.34552	45.3
699.81403	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29005	1.0
69.29409	0.4
74.22034	0.2
83.01375	0.4
91.01874	0.2
93.03452	0.6
107.01398	1.6
108.02177	0.2
109.02946	0.6
111.32901	0.2
121.02954	0.7
125.02392	0.2
132.02171	0.5
135.00887	1.1
143.04967	0.2
148.01674	0.3
151.00357	5.7
159.04515	0.5
163.00348	2.0
164.01137	0.7
165.01884	0.2
171.04507	0.2
178.99876	1.8
183.04488	0.6
185.02515	0.2
185.06058	0.6
187.04034	0.8
190.99911	0.4
193.01259	0.2
195.04550	0.4
197.06070	0.2
199.03941	0.5
200.04782	0.3
201.05449	0.2
211.04007	1.3
212.04610	0.3
213.05510	0.3
215.03314	0.2
224.11868	0.2
226.02740	0.6
227.03484	16.5
228.03972	0.9
229.05051	3.6
239.03419	0.9
240.04138	0.4
241.05075	0.5
243.02956	2.0
245.04503	0.6
254.02199	0.6
255.02969	45.8
256.03519	3.5
257.04550	2.1
267.02716	0.2
271.02457	10.8
272.02997	0.7
273.03888	0.4
283.02414	1.0
284.03244	73.9
285.03973	22.2
286.04242	0.8
299.01889	0.2
300.02728	18.4
301.03488	13.2
302.03894	0.4
327.05002	0.4
447.09290	25.1
448.09525	1.5
489.10342	100.0
490.10693	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	981.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	0.4
71.55400	0.2
73.02963	0.2
83.01381	0.6
85.02957	0.6
86.46786	0.2
91.01885	0.3
93.03464	0.6
96.16932	0.2
96.95983	0.2
98.46893	0.2
102.50688	0.2
107.01393	1.6
107.07665	0.2
108.02164	0.9
109.02947	0.7
119.03403	0.2
121.02934	1.1
124.01651	0.3
125.02423	0.4
128.42378	0.2
135.00862	0.7
148.01711	1.0
148.96222	0.2
149.02521	0.4
151.00366	6.6
151.33730	0.2
159.04460	0.3
161.02449	0.3
163.00365	1.5
163.03992	0.3
164.01151	0.6
165.01801	0.3
173.04611	0.3
178.99861	3.4
179.89664	0.2
187.04044	0.3
187.07620	0.2
191.05623	0.7
192.00629	0.3
199.04007	0.4
201.02011	0.2
203.03439	0.2
211.03931	0.7
215.03493	0.3
215.19667	0.2
216.04291	0.3
226.02786	1.1
227.03481	1.8
229.04941	0.5
243.02957	6.8
244.03593	0.7
245.04539	0.6
254.02194	1.4
255.02977	19.1
256.03342	0.9
271.02460	42.2
272.02951	2.4
273.03952	0.6
283.02429	0.9
283.05731	0.4
299.01981	1.2
300.02731	86.4
301.03452	21.4
302.03745	1.1
311.05560	0.6
343.04538	0.3
431.09897	0.5
447.09290	0.4
463.08783	3.1
505.09857	100.0
506.10168	7.6
519.62317	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5942
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.0
71.01377	15.9
72.81175	0.5
72.99290	1.2
73.02937	3.3
74.36387	0.4
75.00861	0.8
81.03432	0.9
83.01383	2.1
83.04982	0.5
85.02953	3.0
85.99996	0.5
87.00857	3.7
89.02444	14.9
93.03489	0.5
95.01379	1.1
95.05052	0.7
97.02937	3.3
99.00862	0.7
101.02439	12.2
111.04532	0.6
113.02443	6.4
116.03168	0.5
116.92854	1.4
119.03517	4.2
125.02441	5.5
131.03520	0.7
139.04013	0.6
143.03490	2.5
149.04558	1.1
161.04559	3.2
179.05592	3.3
179.14363	0.6
195.13869	8.5
205.12267	0.8
221.06714	0.9
223.13367	5.9
224.13948	0.6
228.13589	1.1
235.08185	6.6
253.09343	1.2
256.13138	1.9
257.88727	0.6
265.21851	0.8
275.20218	4.4
279.23273	46.1
280.23502	1.4
287.07755	2.3
293.21222	100.0
294.21591	6.0
305.08752	3.2
305.11816	0.6
323.09863	0.6
397.13498	75.9
398.13828	2.9
411.93732	0.5
415.08997	1.1
415.14551	23.5
416.14572	0.6
465.67932	0.6
472.53995	0.6
677.37476	5.5
678.38031	1.1
883.28119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	7.8
71.55371	0.5
72.99308	0.6
73.02960	0.3
79.22626	0.3
79.58384	0.3
81.45754	0.3
83.01410	0.6
85.02968	2.4
89.02453	5.4
95.01395	0.6
96.96020	0.4
101.02448	4.5
109.02933	0.4
113.02468	2.7
119.03513	2.0
120.54583	0.3
121.03002	0.3
123.04530	0.7
125.02464	0.5
131.03497	0.4
135.04539	9.6
136.04915	0.4
137.02432	0.4
143.03479	0.4
149.04523	0.3
149.06075	0.4
159.04510	0.5
163.04019	74.2
164.04370	2.2
165.05508	0.4
167.03555	0.3
171.04503	0.5
178.06363	63.2
179.06828	2.0
187.03984	2.1
188.04800	8.4
191.05583	0.6
193.08704	100.0
194.09027	3.9
197.11797	0.4
203.07141	9.3
204.07487	0.5
318.02866	0.3
331.04526	0.8
338.08035	0.6
348.56647	0.4
353.10312	1.4
371.11304	0.4
397.15103	0.6
493.10080	0.3
495.18298	0.4
503.25031	0.7
504.25061	0.6
533.16681	55.0
534.17029	4.4
855.23566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	10.3
73.02932	1.5
80.02657	1.3
81.03445	1.3
83.01363	1.7
83.05022	4.9
85.02962	2.9
87.00881	3.0
88.22129	0.9
89.02454	11.2
93.84338	1.1
95.01369	1.3
97.02943	2.6
98.20496	0.7
101.02441	10.5
101.81413	0.7
113.02486	5.8
119.03522	2.8
119.05017	0.9
125.02437	5.0
134.90080	0.8
143.03491	1.8
147.83809	0.7
161.04541	2.9
163.11287	3.5
165.12827	2.9
178.62845	0.7
179.05618	2.8
181.12387	1.0
191.10730	1.2
209.11818	100.0
210.12086	3.9
212.46442	0.8
221.06711	1.9
227.12872	10.3
235.08218	3.6
253.09161	0.9
277.21710	43.1
278.22064	2.3
287.07715	2.4
305.08658	1.6
379.12460	12.1
397.13507	37.8
398.13889	1.6
415.14484	5.9
589.25073	4.6
607.26245	5.2
657.34668	1.8
675.36212	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	967.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99802	0.6
69.03452	2.4
71.01379	100.0
71.55589	1.3
72.01711	0.9
72.99314	4.4
73.02943	54.8
74.03267	0.8
75.00870	2.3
81.03443	1.7
82.49062	0.6
83.01387	23.5
83.01896	1.3
85.02948	31.1
87.00871	4.3
87.04513	5.7
89.02443	48.7
95.01373	7.0
97.02936	2.3
99.00873	7.1
99.04508	0.8
101.02438	97.2
102.02756	1.0
105.26453	0.7
107.01406	0.8
111.00871	0.9
113.02446	53.4
114.02767	0.7
119.01365	1.6
119.03498	25.5
121.02934	2.2
121.95899	0.7
123.04500	1.2
125.02461	5.2
125.51078	0.7
129.01924	1.9
131.03496	7.9
135.04422	0.7
137.02409	1.9
143.03499	13.2
147.02975	0.7
149.02573	1.0
149.04555	18.5
151.03951	0.7
151.11288	1.3
155.03456	2.0
159.02957	2.7
161.04552	43.8
162.04880	1.0
167.03453	1.7
169.12338	2.9
179.03386	1.1
179.05617	11.0
191.05614	1.5
193.05098	1.0
203.05554	3.9
221.06618	8.6
261.07462	0.7
283.13266	0.6
313.16541	6.4
331.17603	42.1
332.17880	2.0
362.15579	0.6
373.18652	52.2
374.19003	3.3
387.14557	10.7
388.14645	0.8
417.21613	0.8
549.19891	11.0
550.20172	0.9
857.02399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
68.68822	0.4
71.01389	0.7
71.07742	0.9
79.01851	0.4
81.03452	4.7
81.82197	0.4
83.01384	7.9
85.02973	2.2
93.03443	0.9
95.01363	0.9
95.05035	5.6
97.02959	1.8
99.04534	1.1
105.03483	0.7
107.05035	0.8
109.02950	2.1
119.05022	1.6
121.02937	1.1
122.03783	0.6
123.04523	7.0
124.01613	0.6
125.02448	11.5
129.35553	0.4
131.05032	0.9
133.02914	0.5
133.06606	0.8
135.04527	1.8
136.99593	0.4
137.02423	1.6
137.06093	5.6
139.04030	3.3
141.05608	0.6
147.04480	2.4
149.02460	2.5
150.03192	0.6
151.03989	1.5
156.45822	0.5
159.04543	1.4
161.02432	1.3
161.06068	2.1
163.03999	2.9
164.04855	0.6
165.01920	0.7
165.05615	3.6
166.02676	0.4
167.03500	18.5
171.04399	0.5
173.06068	1.0
175.00397	0.5
175.04004	1.2
175.07722	0.5
177.01915	0.5
177.05583	1.9
179.03502	4.1
180.04228	1.6
181.05011	1.4
185.06021	0.5
187.04004	1.2
188.04753	1.4
189.01952	1.1
189.05537	1.3
190.02673	0.5
190.06401	0.7
191.01823	0.8
191.03494	8.8
191.05486	0.9
193.05014	0.8
201.05606	1.1
203.03471	2.0
203.07135	2.8
204.04274	0.9
205.05042	7.0
206.02217	1.9
207.03069	0.9
209.04553	63.7
210.04858	2.5
211.03812	0.4
215.03563	0.8
215.07054	0.6
217.05093	1.8
218.05659	0.6
219.02919	1.0
219.06610	2.4
221.04552	1.6
231.02979	1.8
231.06647	1.2
232.03755	5.6
233.04550	24.9
234.04893	1.1
235.06027	0.5
239.05602	2.5
245.04565	5.0
245.08170	0.7
246.05348	2.5
247.06094	8.4
251.05624	4.3
255.02907	0.5
257.04422	0.7
259.06155	2.3
263.05554	3.4
273.03986	0.7
274.04733	0.7
275.05606	71.4
276.05875	3.3
277.07184	1.1
285.04031	0.7
287.05612	3.8
289.07129	2.3
305.06662	31.1
306.07037	1.5
311.07629	1.7
317.06564	2.4
329.08884	0.8
335.07690	2.9
347.07639	0.7
353.08746	16.8
354.09198	1.0
365.08704	1.2
371.09818	57.2
372.10101	3.0
377.08664	1.6
383.09891	5.2
391.85156	0.5
395.09869	3.1
401.10995	1.5
407.07657	1.7
425.09021	2.4
427.07843	0.6
435.12860	0.5
451.10162	0.5
455.11826	2.8
473.13004	100.0
474.13403	6.6
491.14090	44.8
492.14423	2.7
577.13330	1.8
611.16418	1.0
663.53638	0.5
758.83704	0.5
965.05719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55019	0.3
83.01388	0.5
85.02930	0.4
88.82027	0.2
89.74120	0.2
93.03490	0.2
103.59685	0.2
107.01400	1.9
108.02179	0.8
109.02973	1.1
119.01427	0.2
121.02976	1.9
125.02452	0.2
135.00873	0.4
145.41501	0.2
148.01671	0.5
149.02441	1.3
151.00366	7.7
151.01582	0.4
153.02011	0.2
159.04486	0.2
163.00372	1.4
164.01147	0.4
164.04797	0.5
165.01822	0.2
167.03477	0.3
167.04971	0.2
169.01340	0.2
178.99858	4.0
187.03999	0.2
192.00679	0.3
193.01451	0.3
199.03987	0.3
201.01965	0.2
201.05492	0.2
211.04021	0.6
215.03595	0.3
223.06131	1.0
226.02733	0.5
227.03503	1.5
228.04192	0.3
229.05096	0.5
243.02971	5.0
244.03503	0.4
245.04536	0.9
254.02196	1.0
255.02983	15.2
255.63190	0.2
256.03329	0.9
257.04510	0.3
271.02466	32.4
272.02872	2.1
273.03992	0.6
283.02539	0.7
299.02005	1.0
300.02744	64.5
301.03476	26.5
302.03766	1.2
343.04559	0.3
447.09213	1.8
448.09604	0.2
609.14587	100.0
610.14844	9.6
853.37500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.391
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38202	0.3
70.80881	0.7
70.81229	0.5
82.92890	0.3
86.49067	0.3
87.85035	0.3
97.17877	0.3
101.15075	0.3
116.92865	0.6
120.13634	0.3
121.02953	0.6
123.00896	2.0
136.01711	0.3
151.11288	1.0
159.04480	0.4
169.12340	100.0
170.12683	3.4
171.10109	0.3
210.41267	0.3
288.44263	0.3
343.69269	0.3
355.42792	0.4
371.11292	2.4
385.12860	0.6
387.20660	0.4
401.12091	0.4
757.24927	7.5
758.25104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37833	13.7
69.53554	100.0
70.63525	13.5
98.20663	18.7
127.80580	13.2
143.90875	15.2
155.98610	13.3
195.14421	18.0
209.11768	16.7
228.92097	18.5
255.23267	16.0
310.15887	16.7
328.76804	17.0
329.04880	17.8
379.19168	15.4
482.04379	14.5
737.43335	18.4
762.88861	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	960.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	84.0
89.02459	60.9
160.24817	46.8
171.10239	65.0
172.73921	51.1
189.71710	51.4
237.31784	49.2
250.26848	54.1
255.23141	62.2
277.21753	57.6
394.00272	55.1
397.13449	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	963.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
71.12315	0.3
71.15302	0.2
80.91293	0.2
83.01376	0.4
85.02948	1.1
87.00861	0.3
93.03461	0.9
101.02505	0.2
104.11015	0.2
107.01392	1.6
108.01566	0.2
108.02161	0.9
119.05020	0.2
121.02962	0.5
125.02431	0.5
127.03998	0.2
135.00891	0.5
137.02454	0.2
148.01669	0.6
151.00362	5.4
163.00322	0.8
163.03964	0.4
164.01097	0.5
169.01419	0.4
173.04605	0.5
178.99846	3.2
191.05606	16.2
191.23022	0.2
192.00548	0.3
192.05939	0.5
199.03981	0.4
203.83540	0.2
211.03928	0.4
215.03456	0.5
216.04245	0.4
226.02757	1.0
227.03526	1.7
243.02959	7.9
244.03531	0.5
245.04427	0.3
254.02171	1.7
255.02974	19.4
256.03317	0.9
271.02460	42.9
272.02963	2.7
273.03989	0.3
299.01920	2.7
300.02728	83.9
301.03354	9.8
325.03317	0.3
337.09271	3.2
345.10822	0.2
366.32138	0.2
445.07526	0.3
463.09085	0.4
623.07849	0.2
625.14044	100.0
626.14355	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	963.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	0.7
68.99842	0.5
69.03468	1.0
69.44954	0.9
69.45364	2.8
71.01380	27.2
72.99302	1.3
73.02944	7.7
80.34443	0.5
81.03453	0.7
83.01380	3.7
85.02948	16.5
87.00877	2.8
87.04507	3.9
89.02431	5.3
93.03444	5.0
95.01386	3.7
96.96021	0.6
97.02935	1.1
97.94513	0.6
99.00857	3.9
101.02438	16.0
111.04546	0.9
113.02443	22.0
119.03495	2.0
125.02414	4.1
129.01921	0.9
134.03784	0.7
135.04527	1.0
137.02423	0.9
138.54805	0.5
143.03552	1.4
151.03874	0.6
154.61243	0.5
159.02963	1.5
161.02452	1.2
161.04549	10.0
163.03902	0.5
171.03221	0.5
173.04536	4.4
175.03946	0.7
182.67548	0.5
183.09471	0.5
191.05550	1.8
211.17021	0.6
214.68517	0.5
255.19472	0.8
277.13528	0.5
289.06888	0.7
341.36920	0.6
373.22238	3.5
399.23853	100.0
400.24133	6.6
415.23413	14.2
417.24948	16.3
418.25391	1.3
443.22574	0.6
449.14700	0.6
459.25977	71.5
460.26166	5.7
481.17001	4.0
482.17047	0.8
561.20117	0.6
608.14612	0.6
703.89923	0.6
833.99799	0.6
858.97394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	10.9
71.55061	1.5
72.99300	1.4
73.02934	2.7
83.01375	2.4
83.05000	3.3
83.80434	1.2
85.02943	3.8
87.00870	3.2
88.68087	1.2
89.02435	13.9
89.36107	1.3
95.05035	1.4
97.02948	3.1
101.02432	13.2
104.68154	1.4
113.02437	7.3
116.92885	1.8
119.03476	3.3
125.02431	4.0
125.19023	1.2
143.03526	2.0
161.04539	3.2
163.11272	4.5
165.12782	1.6
179.05592	3.2
192.31026	1.2
209.11813	100.0
210.12109	3.9
227.12843	11.9
235.08194	4.9
255.23262	48.4
256.23575	1.6
259.08179	1.6
259.15347	1.6
267.32321	1.3
267.35168	1.3
287.07614	2.4
351.52466	1.3
379.07886	2.1
379.12387	17.3
397.08304	2.1
397.13477	41.8
415.14520	3.8
530.74237	1.3
589.24823	5.7
607.26093	4.8
635.36237	4.1
653.37579	8.8
781.43127	1.6
811.70496	1.5
865.37329	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	955.323
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	0.5
71.55328	0.2
73.02963	0.3
77.03973	0.5
78.95890	0.4
79.95720	0.2
81.03468	0.2
83.06495	0.1
87.00902	0.2
89.03977	0.4
93.03454	0.7
95.05035	1.0
96.96011	5.4
96.96611	0.3
96.96977	0.3
97.06593	1.2
101.02456	0.2
105.03461	4.6
106.04280	0.3
107.01368	0.2
117.03451	1.6
119.05008	0.3
121.02938	0.6
123.04529	0.7
125.02444	0.3
131.03487	0.7
132.02145	0.2
133.02954	12.0
134.03735	31.0
135.04536	7.6
136.04805	0.3
137.02431	1.0
138.89851	0.2
139.04007	0.3
142.37903	0.1
145.02895	0.9
145.06557	0.2
149.02429	0.9
149.04472	0.2
150.03198	0.2
159.04504	0.2
161.02434	3.2
162.03224	13.0
163.03647	0.5
172.05318	0.3
172.27618	0.1
173.04527	0.2
173.06033	0.2
173.44844	0.1
173.93416	0.2
177.01898	1.7
178.02711	1.8
187.07605	1.1
191.05647	0.5
203.10733	0.8
205.08749	0.2
210.57741	0.2
231.10245	27.5
232.10551	0.9
275.09235	100.0
276.09583	4.4
407.13455	10.6
407.17920	0.2
408.13666	0.7
503.21051	0.2
580.42987	0.2
755.43359	0.2
776.53973	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.412
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90449	5.4
71.55206	11.1
91.46363	5.6
95.01392	16.0
104.57420	5.8
109.02955	8.6
122.03779	6.7
123.00867	58.3
123.04527	8.1
124.01688	18.5
136.01714	8.7
136.74582	6.9
140.23026	5.4
149.77989	7.0
151.04025	10.6
371.11368	82.6
372.12018	27.1
373.13062	11.8
376.30249	6.2
408.54251	6.0
444.58649	6.5
493.26135	10.9
728.24774	13.2
754.76910	6.6
865.38409	100.0
866.37897	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	955.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	36.3
71.53648	2.5
73.02956	6.8
78.95905	14.7
85.02956	7.6
87.00860	4.6
89.02438	21.0
95.01369	3.4
97.02930	5.3
101.02458	19.3
109.06606	5.9
113.02451	11.4
114.97785	2.5
116.92857	24.0
119.03512	7.3
125.02456	8.0
125.09694	4.9
127.11276	4.2
140.01222	4.1
143.03473	3.9
155.10674	3.3
161.04588	6.2
163.11304	5.5
171.10254	37.6
179.05630	6.5
181.12305	4.7
199.09727	27.1
199.13434	4.1
201.11311	48.4
207.10251	28.6
221.06720	4.4
225.11333	31.5
235.08241	4.2
243.12321	7.4
277.21722	55.4
278.22110	4.0
279.23257	100.0
280.23621	84.6
281.21173	3.9
281.23843	18.3
363.29086	3.1
379.12415	8.1
397.13483	51.4
415.14478	12.9
476.27780	35.4
477.28162	49.1
478.28442	25.5
579.22888	4.2
592.22247	2.8
597.23175	3.8
605.24548	4.4
623.25433	11.3
675.36511	4.2
857.45605	17.7
865.43921	7.3
883.46783	26.4
884.46912	5.2
901.47882	11.6
919.49152	33.3
920.49805	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	951.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01899	0.7
69.03444	3.3
69.17078	1.5
69.17501	3.6
71.01379	84.8
72.01705	0.6
72.99313	4.5
73.02943	88.7
74.03284	0.7
75.00871	2.6
81.03452	0.8
83.01383	29.5
84.01730	0.6
85.02949	19.7
87.00875	3.2
89.02444	21.9
95.01392	5.5
96.95985	0.9
97.02943	1.9
98.19918	0.7
99.00881	2.3
101.02438	100.0
102.02787	1.4
103.04014	0.6
108.02209	0.6
109.91795	0.5
111.00850	0.8
113.02448	47.7
114.02758	0.5
117.01994	0.6
119.03501	14.9
121.02937	0.8
123.04527	0.8
125.02457	4.2
129.01949	0.9
131.03497	11.1
134.57553	0.5
137.02475	0.5
143.03493	11.9
147.02972	1.6
149.02657	0.5
149.04546	24.5
155.03500	3.0
161.04546	43.1
162.04913	0.7
167.03482	1.0
179.05554	0.9
187.03979	2.0
188.04796	6.7
191.05556	1.1
193.05078	0.5
203.05537	3.9
203.07144	8.8
221.06633	16.7
238.64879	0.6
271.94751	0.5
313.16568	1.5
331.17548	4.8
353.10120	1.4
371.11261	1.1
373.18546	4.5
519.24530	0.5
533.16614	43.3
534.16968	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	953.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01889	14.7
69.03449	4.0
69.20605	3.2
69.21027	1.2
71.01379	19.9
72.99279	0.6
73.02942	4.5
81.03458	2.6
83.01378	2.5
83.05007	2.4
85.02949	6.2
87.00878	15.2
87.04520	1.8
88.01236	0.5
89.02432	6.7
92.58122	0.5
93.03455	100.0
94.03788	1.3
95.01386	1.2
95.05048	0.6
97.02930	0.8
97.06535	0.7
99.00863	3.3
99.04514	1.2
101.02438	10.5
101.06094	1.9
103.71463	0.5
105.03474	0.9
108.02165	0.7
109.02936	0.7
111.00851	0.8
111.04514	13.8
113.02454	7.9
115.04006	0.8
117.03505	0.7
118.09712	0.5
119.03488	2.7
123.04527	0.5
124.01592	0.8
125.02423	1.4
127.03953	0.6
129.01935	2.3
133.02927	4.7
134.03745	8.7
135.04521	12.5
137.02434	4.0
143.03496	1.3
149.04601	0.6
150.03152	0.5
151.04012	0.9
155.03513	4.6
159.02937	0.8
160.01668	2.1
161.02440	0.9
161.04547	3.9
162.03203	1.6
173.04533	90.0
174.04898	1.6
177.01848	0.9
178.02669	0.8
179.03473	1.9
179.05615	0.8
191.05600	15.4
207.10544	0.4
221.26221	0.4
231.10249	6.4
255.19641	1.0
257.08194	0.9
271.93851	0.5
275.06213	0.5
275.09222	10.4
276.09549	0.5
282.09171	0.5
297.20676	1.0
308.08908	1.1
313.10736	0.6
351.07217	0.7
351.21655	0.8
352.08112	1.5
381.38480	0.5
399.23853	44.7
400.24084	2.7
402.36227	0.5
417.24893	27.5
418.25244	1.7
429.99136	0.5
448.09476	1.0
449.14508	99.6
450.14856	6.2
459.25952	28.9
460.26279	2.1
823.14551	0.6
829.61206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25225	25.6
69.25624	4.3
71.01389	8.8
73.02930	3.5
83.05045	4.1
85.02937	4.7
86.13194	2.9
87.00887	3.5
89.02436	10.6
100.54549	3.1
101.02465	9.6
113.02443	5.8
116.92886	16.1
125.02399	5.2
142.44464	3.4
191.05537	4.9
206.31136	3.0
209.11833	100.0
227.12860	20.1
235.08165	6.7
277.21701	42.1
281.08563	4.4
305.08899	3.1
379.12469	20.1
397.13495	50.2
399.63132	3.2
415.14444	7.5
589.24609	14.8
607.26111	14.1
657.35028	5.2
675.35370	9.3
867.47028	6.2
953.48560	49.6
954.48981	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	945.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01892	5.1
67.83881	0.3
69.03456	1.2
69.30858	1.8
69.31260	0.7
69.70363	0.3
71.01383	3.2
71.20264	0.3
71.39648	0.3
73.02943	0.6
77.03967	1.6
81.03444	1.9
83.01391	0.3
83.05035	1.3
85.02956	5.2
87.00872	6.5
89.03959	0.9
91.05549	1.1
91.34958	0.3
93.03459	42.7
94.03799	0.9
95.01404	0.4
95.05025	3.4
98.20718	0.6
99.00869	0.6
99.04521	0.7
101.02430	0.7
105.03463	11.5
107.05043	2.7
108.02158	0.9
109.02950	10.4
110.00075	0.5
111.00890	0.9
111.04523	8.0
113.02513	0.5
115.04031	0.6
117.03471	1.4
119.05022	0.4
120.79714	0.3
121.02959	2.0
122.03744	0.6
123.00889	0.6
123.04528	4.6
124.01672	0.9
125.02458	0.8
127.04029	1.4
129.01952	0.8
132.02177	1.1
133.02957	74.1
134.03850	2.0
135.04524	38.1
136.04886	0.9
137.02437	3.2
137.06131	0.3
137.99597	0.4
139.00398	0.4
139.04053	0.7
145.02951	0.8
149.02429	2.6
150.03223	4.8
151.04022	4.3
153.01953	1.2
155.03508	3.5
157.05029	0.6
161.02470	2.4
164.98227	2.0
165.99080	1.5
167.03520	0.4
171.03064	0.6
173.04543	75.5
174.04898	1.3
175.00288	0.5
175.04036	0.5
177.01923	29.0
178.02522	1.2
179.03502	10.3
179.04836	0.3
180.00639	0.9
180.04147	0.5
181.01428	2.7
191.05606	41.8
191.40594	0.3
192.05972	1.0
194.02248	0.4
195.02954	1.6
197.04454	0.7
214.27681	0.3
215.05603	35.6
216.05884	1.0
230.02187	0.3
243.02890	0.7
258.01651	1.0
282.05453	0.4
286.01254	2.9
287.01923	1.0
289.07227	0.4
297.07782	0.3
299.02054	0.4
300.02600	0.7
301.03595	0.8
307.08203	7.7
308.08890	2.8
314.00690	1.1
315.01471	6.5
325.07172	1.5
329.03021	3.1
330.03778	9.8
331.04230	0.6
341.45499	0.3
344.05295	3.0
345.06137	16.8
346.06418	1.1
351.07199	100.0
352.07660	7.5
353.08850	0.6
385.07904	0.5
475.12494	1.0
505.07733	0.5
548.11237	0.4
549.12494	1.0
709.13916	0.7
877.48431	0.3
901.18762	0.4
968.22607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
66.06741	0.4
67.01888	10.4
69.03454	3.4
71.01383	10.9
71.05013	0.4
71.55479	0.6
72.99311	0.6
73.02950	2.2
81.03455	2.9
83.01401	1.3
83.05036	1.6
85.02943	4.0
87.00877	14.7
89.02438	1.7
93.03458	95.7
94.03806	1.3
95.01379	1.1
97.02956	0.6
97.06565	0.8
99.00896	2.2
99.04524	1.3
101.02454	5.4
108.02206	0.4
109.02928	1.1
111.00857	0.5
111.04517	12.5
113.02444	4.4
113.16380	0.4
115.04002	0.8
121.02905	0.5
125.02454	1.0
129.01945	1.5
133.02953	1.5
134.03745	15.8
134.04739	1.0
135.04567	2.3
136.01729	0.5
137.02449	2.9
143.03496	1.1
143.04550	0.4
149.02451	0.9
150.03198	2.3
151.03993	0.7
155.03517	4.0
159.02933	0.6
161.04573	1.4
165.05591	2.4
169.53026	0.4
173.04541	67.7
174.04881	1.5
177.01935	1.6
178.02747	3.3
179.03481	0.8
180.04230	0.5
181.05028	0.5
191.05626	2.4
195.06592	1.3
231.10222	0.9
275.09192	2.4
306.07037	0.4
307.11832	5.6
308.12164	0.5
355.21237	1.4
373.22260	8.3
415.17752	0.9
415.23337	19.1
416.23746	1.2
449.14523	9.5
450.15158	0.7
467.15149	0.6
481.17114	100.0
482.17422	8.3
493.55545	0.5
809.38525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	2.0
69.21555	9.0
71.01382	15.5
71.05021	1.2
72.99322	1.4
73.02960	2.1
81.03451	1.3
83.01395	1.3
85.02951	4.3
87.00868	4.4
89.02454	8.9
95.01361	1.3
97.02948	10.5
97.06576	2.4
99.00874	17.8
101.02425	8.7
109.06605	1.4
110.03750	1.4
111.04530	1.5
113.02454	5.4
118.26494	1.1
119.03528	1.4
123.08159	1.3
125.02446	7.1
125.09733	7.1
126.41193	0.9
142.02649	1.6
143.03476	1.0
161.04517	1.6
163.11255	10.3
176.90637	1.1
179.05641	1.2
181.12337	16.8
199.13324	2.3
207.10257	53.6
208.10588	1.8
208.31190	1.0
216.34958	1.0
221.06717	1.1
225.11314	74.2
226.11617	2.0
230.32886	1.0
235.08273	2.6
243.12349	23.9
277.21710	53.2
278.22070	3.8
297.14993	1.5
299.15369	1.4
379.12552	1.4
397.13589	9.4
400.07889	1.2
415.14584	1.8
485.19681	1.4
523.16290	1.0
605.24414	18.0
606.25098	2.3
623.25525	11.4
629.77008	1.0
784.52502	1.2
883.46942	100.0
884.47015	15.2
910.84674	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	1.2
71.01374	13.5
71.05005	2.4
73.02928	2.9
81.03429	1.3
83.01355	2.2
85.02956	6.2
87.00874	5.7
89.02434	9.6
93.22512	1.1
95.01353	1.8
95.05032	1.0
97.02947	10.3
97.06576	1.8
99.00877	17.1
101.02442	8.1
109.06597	1.4
113.02418	4.4
119.03467	1.9
125.02446	6.0
125.09717	6.4
128.90135	1.2
129.02002	1.4
135.08080	1.5
136.05283	1.2
142.02718	3.1
161.04578	2.9
163.11276	10.2
165.68629	1.0
179.05482	1.1
181.12334	19.7
194.64516	1.0
195.69246	0.9
199.13393	2.8
207.10258	56.4
208.10614	1.4
209.59956	1.3
221.06572	1.9
225.11307	86.1
226.11629	3.1
235.08078	1.9
243.12378	31.0
244.12688	1.3
263.07675	1.8
277.21716	46.2
278.22095	2.8
299.15039	1.2
317.15875	2.9
379.12259	3.2
397.13528	6.2
415.14261	1.3
461.20453	1.9
605.14789	1.3
605.24512	27.7
606.25055	2.0
623.25366	24.6
624.26215	2.5
883.46960	100.0
884.47192	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	941.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00728	1.1
68.99805	2.1
71.01385	2.9
71.54823	2.1
73.39017	1.2
75.48619	1.3
81.03432	1.9
85.02937	1.3
89.02457	2.2
95.01408	7.5
100.80336	1.3
108.02205	2.9
109.02933	7.9
111.00859	4.0
113.02381	1.5
116.92871	5.3
117.03477	3.0
117.92883	2.4
119.03527	1.3
121.02960	2.7
121.75437	1.2
122.03732	1.4
123.00887	28.7
123.04517	1.3
124.01668	12.1
125.02454	1.7
133.02919	7.5
135.04498	4.1
136.01657	4.5
137.02417	8.3
149.02469	6.2
149.06029	2.0
150.03200	2.2
151.04022	6.8
152.01091	1.4
161.02388	3.4
163.04041	1.9
173.11086	1.3
175.04002	2.0
177.01953	7.8
177.05568	1.9
179.03442	6.2
187.04005	1.4
191.03099	1.2
193.05139	1.3
201.11406	7.0
202.02713	2.4
203.03407	1.6
205.05040	3.4
209.11845	13.5
227.12848	1.6
255.23340	6.8
311.09299	1.3
327.08823	1.7
341.10400	1.5
342.11139	1.6
343.11810	3.1
355.07983	2.8
371.11349	100.0
372.12015	11.8
373.12857	3.5
379.12521	2.0
397.13617	9.6
401.12363	2.8
410.17325	9.1
411.18115	2.5
492.99585	1.3
653.37335	3.1
741.45660	1.5
752.54785	1.6
782.29449	11.0
783.29150	2.4
851.36353	40.6
852.37256	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	939.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
65.73698	0.3
69.03439	0.2
69.62752	1.5
71.01384	0.7
73.02956	0.2
81.03439	0.5
83.05031	1.4
85.02962	0.8
87.00882	0.6
93.03456	5.1
97.06583	5.1
98.06950	0.2
98.20649	0.3
101.02431	0.3
105.03452	0.5
105.56548	0.3
106.04223	0.5
109.02932	0.3
111.04521	3.8
119.05025	0.6
121.02958	0.5
125.02444	0.2
127.03995	0.3
129.01878	0.4
130.08728	0.3
133.02943	4.0
134.03738	89.9
135.04573	8.6
136.04829	0.3
137.02454	2.1
139.04002	0.6
150.03226	0.7
155.03508	3.8
159.04440	0.3
163.04036	0.5
165.01825	0.5
165.05579	0.6
173.04546	7.9
173.06041	0.4
177.01929	7.0
178.02701	22.2
179.03462	2.1
179.10742	0.3
180.04231	0.4
181.05037	0.5
187.07663	0.3
191.05614	1.8
195.06613	0.5
213.01970	0.3
227.98294	0.3
231.10251	3.8
240.14835	0.3
275.09241	6.1
275.60611	0.3
276.09512	0.4
307.11847	100.0
308.12201	4.7
419.11081	0.2
449.14301	0.4
458.72900	0.3
467.15607	1.4
481.17093	37.8
482.17270	2.8
568.58844	0.2
711.02802	0.3
807.30267	0.3
940.65204	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70589	0.9
69.75581	0.1
71.01384	0.3
73.02936	0.3
77.03973	0.6
81.03473	0.2
85.02930	0.2
89.03972	0.5
93.03461	0.4
95.05019	1.2
97.06604	1.2
98.20679	0.2
101.02468	0.2
105.03464	4.8
106.04291	0.3
111.00899	0.2
111.03769	0.2
117.03469	1.5
119.05059	0.2
121.02959	0.3
123.04501	1.2
125.02438	0.2
131.03511	0.6
133.02953	12.1
134.03741	27.5
135.04541	9.9
136.04861	0.3
137.02423	0.9
139.03976	0.2
145.02940	0.8
145.06573	0.3
149.02411	0.8
149.04614	0.4
149.81624	0.2
150.03200	0.3
151.04005	0.2
159.04553	0.3
161.02448	2.4
162.03218	11.5
163.03645	0.3
172.05283	0.4
173.06052	0.4
177.01941	1.1
178.02783	1.3
178.93163	0.2
181.05042	0.2
187.07649	1.1
191.05608	0.6
203.10797	0.5
209.11827	0.2
211.61864	0.2
231.10248	29.5
231.91739	0.2
232.10640	1.7
265.16968	0.2
275.09238	100.0
276.09564	4.8
342.35678	0.2
384.96347	0.2
407.13461	10.5
408.13699	0.7
687.04321	0.2
780.70129	0.2
786.61401	0.2
936.67273	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	0.6
70.08966	0.3
71.01385	0.9
71.54549	0.4
72.02152	0.3
83.01396	0.4
85.02946	0.8
86.26551	0.3
87.04508	0.7
93.03447	0.3
98.03708	0.3
101.02459	0.4
103.59721	0.3
107.01411	1.7
108.02190	0.4
109.02961	0.5
119.01419	0.4
121.02921	1.4
125.02433	0.9
129.26535	0.3
137.02405	0.4
138.10161	0.3
148.01654	0.4
149.02454	1.6
151.00372	7.3
151.04082	0.4
161.02377	0.4
163.00427	1.3
163.04010	0.4
164.04776	1.2
164.34380	0.3
165.12895	0.5
167.03456	0.6
167.14436	0.4
175.03989	0.3
178.99876	3.0
187.04039	0.4
189.05696	0.4
193.01320	0.3
197.15445	1.1
211.04037	0.5
223.06120	1.8
226.02617	0.6
227.03497	1.2
229.05084	0.5
239.03438	0.3
239.16531	4.6
241.14445	0.6
243.02982	4.9
244.03564	0.4
245.04512	0.5
254.02187	1.2
255.02994	13.4
256.03387	0.8
271.02469	28.7
272.02948	1.9
273.03967	0.7
277.64966	0.3
280.04080	0.3
283.02466	0.9
283.15564	2.1
299.01898	0.5
300.02744	62.5
301.03476	24.7
302.03665	1.2
313.05496	0.3
427.31995	0.4
447.09418	0.7
451.56253	0.4
521.16595	1.1
544.66980	0.3
609.14600	100.0
610.14960	10.6
611.15137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	79.3
71.55109	2.6
72.99308	3.0
73.02945	29.8
82.52922	1.3
83.01395	11.3
85.02945	41.5
86.00119	1.6
87.00874	3.4
89.02429	6.0
95.01393	7.4
97.02937	1.8
99.00894	12.4
101.02445	63.9
109.02979	1.8
111.00925	1.6
113.02457	37.7
123.04525	3.0
125.02422	4.3
129.01956	3.5
133.51366	1.4
138.03217	4.5
143.03494	4.3
149.02425	1.9
150.03174	1.4
152.01176	1.4
153.05537	3.2
159.03009	9.9
161.04550	39.9
167.03484	2.0
173.72948	1.4
179.07237	2.3
191.05611	1.6
193.01498	1.4
202.06401	1.9
209.79433	1.6
223.06091	2.0
233.08231	2.6
239.16536	3.6
251.09180	2.5
269.10281	100.0
270.10587	5.7
273.74490	1.8
296.03052	1.6
311.11349	66.1
312.11777	5.3
331.40427	1.4
355.10492	2.3
358.10443	1.5
359.11404	2.1
373.13028	3.3
404.14871	3.1
419.17191	5.2
581.22357	57.3
582.22693	5.8
609.14459	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	935.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00337	0.8
69.89738	1.1
69.90151	0.4
70.14442	0.3
75.53098	0.3
83.01411	0.5
107.01407	1.4
108.02179	0.8
109.02960	0.7
117.03468	0.3
121.02979	1.1
134.03711	1.0
134.28909	0.2
148.01619	0.5
151.00366	6.6
152.00700	0.4
163.00374	1.4
164.01218	0.5
169.01479	0.5
178.99847	3.3
187.04062	0.4
193.05048	1.1
211.04002	0.3
215.03453	0.3
226.02756	0.7
227.03503	1.1
229.05190	0.4
243.02972	4.0
244.03625	0.4
245.04503	0.8
254.02344	1.6
255.02969	15.4
256.03482	0.5
271.02469	28.2
272.03018	2.3
273.04010	0.5
283.02374	0.5
299.02036	0.9
300.02747	58.3
301.03476	23.0
302.03738	0.8
343.04797	0.5
447.09378	1.0
609.14581	100.0
610.14911	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	933.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	57.0
73.02942	8.0
74.53009	2.5
75.00875	3.1
81.03477	2.7
83.01396	2.6
85.02941	7.9
87.00880	8.6
89.02453	27.3
95.76784	2.7
97.02961	6.0
98.20736	2.2
99.00911	3.8
99.92634	2.8
101.02432	22.7
103.44372	2.5
109.06582	6.9
113.02458	11.4
119.03497	5.6
125.02438	8.4
125.09680	4.1
127.11252	3.6
141.01984	2.7
143.03482	6.2
155.10773	3.5
161.04550	4.4
171.10266	46.8
179.05586	7.8
181.12297	4.9
199.09784	28.3
199.13445	3.3
201.11292	46.0
207.10307	23.0
210.51328	2.4
225.11282	30.0
229.60455	3.5
235.08206	7.1
243.12256	4.8
255.23271	100.0
256.23654	4.5
305.09012	3.6
306.68121	2.7
331.51694	3.0
379.12408	12.6
397.13412	73.6
398.13672	3.6
415.14523	19.2
455.99155	3.4
471.94672	2.9
480.86957	3.0
519.94153	2.7
567.93579	3.0
579.23779	4.0
605.24756	5.5
635.36768	7.8
653.37256	8.7
835.47021	18.5
836.47375	8.2
843.45258	15.0
861.48578	31.4
862.48889	6.2
879.49609	16.7
897.50696	54.1
898.50885	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	933.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01880	0.7
69.24404	0.7
69.24826	1.5
71.01377	3.0
73.02942	0.5
81.03477	0.3
83.01384	0.7
85.02953	1.4
87.00912	0.5
89.02451	0.7
91.01879	0.5
93.03431	1.5
95.01370	0.6
96.99281	0.5
97.02876	0.3
98.19877	0.7
99.00876	0.4
101.02442	1.8
107.01370	0.9
108.02165	1.6
109.02949	6.7
111.00855	0.3
113.02446	1.3
115.00405	0.2
117.03447	1.1
119.05024	100.0
120.05368	3.2
121.02956	0.8
123.00897	1.5
123.04522	3.0
125.02434	1.2
125.09836	0.3
133.02997	0.5
133.06668	0.2
134.03705	0.9
135.04468	0.5
137.02415	0.6
144.54759	0.3
145.02928	2.0
147.04489	0.3
151.00362	2.2
151.03976	0.5
152.01151	3.1
153.01927	16.1
154.02301	0.3
161.02504	0.3
161.04529	0.4
162.03297	0.3
163.04001	44.0
164.04343	1.3
166.02713	0.8
167.03482	13.6
173.04504	0.7
177.02005	0.5
177.04080	0.5
177.05560	7.7
181.05054	0.6
191.05600	1.5
191.71187	0.3
195.02939	0.6
207.02975	0.3
209.04623	0.3
225.03825	0.4
226.71895	0.2
269.06656	0.4
275.09253	0.6
276.99091	0.2
296.05377	2.0
297.06125	11.3
298.06479	0.4
311.07706	22.5
312.07983	1.1
339.08765	0.4
357.13251	0.7
369.13391	0.8
431.22916	0.5
443.09735	0.8
449.14807	0.4
475.12408	91.2
476.12769	9.0
708.95685	0.3
752.40234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
65.51983	4.7
67.06875	4.8
69.51073	33.2
71.01387	12.8
79.16715	4.6
89.02437	12.4
100.44733	4.3
101.02447	12.7
113.02474	6.9
113.86709	4.8
114.08949	5.0
209.11827	99.2
220.97929	4.6
224.06149	5.2
227.12880	16.3
233.70245	4.6
235.08160	8.9
255.23236	51.4
290.22479	4.9
323.09464	5.0
346.56641	4.8
379.12454	23.1
397.13483	56.1
415.14529	11.6
478.69742	5.4
529.57501	5.0
589.24725	15.0
607.26031	9.2
635.36505	14.2
641.87653	6.0
653.37677	15.8
845.49768	8.9
931.50366	100.0
932.50897	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	931.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	0.6
69.57965	2.6
83.01337	0.4
93.03450	0.5
97.65086	0.5
98.20699	0.4
107.01392	1.1
108.02173	0.6
109.02958	1.1
116.01588	0.4
121.02968	1.2
130.04767	0.3
138.68855	0.4
139.98364	0.4
148.01669	0.5
151.00359	8.3
162.49968	0.4
163.00349	1.7
169.01353	0.4
173.04559	0.4
178.99841	2.9
190.99933	0.4
191.05626	1.6
211.03894	0.5
211.28333	0.4
226.02637	0.5
227.03474	0.8
230.87218	0.4
243.02927	3.0
245.04616	0.8
254.02257	0.9
255.02962	11.2
256.03348	1.1
271.02448	19.8
272.02881	1.7
273.03766	1.0
283.02487	1.3
296.65469	0.4
299.02036	0.6
300.02722	48.4
301.03467	40.1
302.03766	2.6
447.09271	100.0
448.03751	0.8
448.09607	9.6
449.09753	0.9
450.18674	0.4
476.71912	0.4
929.83112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
68.78467	0.6
69.42094	3.0
69.42525	2.6
71.01379	1.2
81.03451	2.4
83.01373	4.8
84.93315	0.7
85.02947	6.8
87.00878	1.4
92.42683	0.7
93.03448	5.2
95.01376	1.5
95.05031	1.6
97.02936	4.2
98.19906	1.4
99.04513	1.0
101.02468	0.7
107.05017	1.0
107.18479	0.6
109.02948	21.9
111.00896	1.0
119.05035	1.0
121.02943	4.0
122.03728	1.3
123.00903	0.8
123.04519	14.8
125.02444	100.0
126.02785	1.1
127.03999	2.2
131.05028	1.0
133.02956	4.8
135.04517	5.0
137.02438	24.7
138.08830	0.7
139.00363	0.8
139.04012	2.8
145.02943	1.7
146.03734	1.8
149.02449	5.7
149.06125	0.8
150.03221	1.1
151.03998	14.7
156.37062	0.7
159.04501	3.2
160.05267	1.2
161.02438	32.3
161.06070	4.9
162.03156	3.0
163.00368	2.1
163.04015	5.8
164.01149	4.4
165.01935	6.1
167.03514	2.2
173.04597	1.7
173.05946	1.5
174.03212	1.1
175.04005	10.0
175.07635	1.1
177.01924	6.4
177.05612	1.1
178.02728	1.1
179.03494	8.4
185.06091	1.0
187.04004	8.3
188.04831	4.0
189.02098	0.9
191.05600	66.7
192.05937	1.9
199.02393	1.1
199.04066	1.5
201.05524	2.9
202.06294	1.5
203.03479	2.1
203.07140	11.9
205.01323	3.9
205.05026	8.2
211.03973	1.2
212.04764	1.6
213.05379	0.9
214.02716	1.1
215.03551	1.1
217.05115	2.2
221.08177	2.0
225.05544	0.9
227.03470	2.4
227.07152	1.8
228.04187	2.0
229.05109	3.5
231.03012	1.0
231.06561	0.9
241.05055	1.1
243.02989	3.8
243.06761	1.5
245.04469	7.2
245.08174	18.9
246.08694	1.0
247.06082	1.5
253.01974	0.7
253.05141	1.8
255.02971	10.3
256.03784	4.0
257.04575	2.0
269.04556	3.0
271.06046	1.7
273.04007	4.2
281.04544	5.0
283.02579	1.8
284.03299	1.1
285.04034	3.6
287.05597	16.0
289.07162	60.9
290.07584	2.4
297.04276	1.3
297.07602	1.7
299.05524	7.2
300.06036	0.9
315.08578	1.0
329.06699	1.4
339.08682	5.2
341.06549	1.2
353.08917	7.8
381.09760	1.6
389.06631	1.1
407.07681	63.2
408.08084	4.7
425.08765	75.2
426.09253	6.2
439.10318	1.1
451.10379	23.7
452.10385	1.2
559.12592	3.0
577.13489	79.0
578.13745	8.0
593.14972	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	928.304
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	1.3
69.41377	1.1
69.41792	3.0
71.01378	1.5
77.78653	0.5
81.03455	1.2
83.02055	0.5
83.05033	0.7
85.02950	7.5
87.00876	3.7
88.98833	0.9
93.03460	14.7
95.05048	1.9
105.03471	3.8
106.00233	0.5
107.05018	1.4
109.02948	5.0
111.04507	3.1
121.02959	0.9
123.04532	1.2
125.02405	0.6
127.04020	1.8
129.01935	0.7
133.02960	25.8
134.01405	0.5
135.04535	14.2
137.02417	1.0
150.03217	1.7
151.03993	0.9
155.03510	0.9
161.02434	2.6
171.03030	0.6
173.04539	14.0
177.01924	10.3
179.03479	5.7
191.05608	100.0
192.05994	2.1
215.05595	16.1
216.05869	0.7
246.42764	0.7
307.08273	1.5
351.07220	40.9
352.07715	3.4
353.08780	13.8
354.09232	0.8
465.26282	0.6
470.44186	0.6
523.44244	0.7
546.21204	1.4
574.21014	0.7
575.21252	0.7
662.38208	0.7
948.68817	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	29.8
79.52708	13.5
81.54489	12.8
91.28276	13.5
101.02437	21.8
112.42585	11.3
125.02401	20.9
147.56091	11.0
149.12752	11.6
151.72691	12.2
154.29466	10.4
162.97928	14.7
179.27339	12.2
181.12442	15.1
207.10252	14.9
209.11864	100.0
210.12120	34.3
225.11394	17.5
227.13029	19.5
229.19450	14.8
255.23251	79.0
256.23660	37.5
300.57172	12.7
397.13452	48.3
398.13440	12.9
842.32623	14.9
852.68005	17.0
863.49359	22.7
864.48828	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	0.7
65.85229	0.2
71.55077	0.3
83.01376	0.8
83.48561	0.2
85.02943	1.0
93.03436	0.3
107.01388	2.0
108.02177	0.7
109.02958	1.5
121.02968	2.0
125.02419	0.5
127.27055	0.2
129.01959	0.3
135.00887	0.6
139.03946	0.2
147.00867	0.2
148.01665	0.5
149.02415	0.6
151.00366	9.6
152.00844	0.2
155.54686	0.2
159.04475	0.3
163.00363	2.3
163.04115	0.2
164.01089	0.4
169.01370	0.3
173.06017	0.3
178.99860	5.3
180.00291	0.3
183.04474	0.4
187.03979	0.4
190.99825	0.3
191.01959	0.2
192.00618	0.3
193.01370	0.3
199.03986	0.4
201.05641	0.4
203.03555	0.3
211.03972	0.9
211.05959	0.2
215.03500	0.5
216.04300	0.6
226.02710	0.6
227.03473	2.1
229.01321	0.3
229.05026	0.6
239.03523	0.4
242.02272	0.2
243.02983	6.3
244.03537	0.3
245.04567	1.4
254.02101	1.1
255.02980	14.7
256.03479	0.8
257.04547	0.6
266.02289	0.3
270.01694	0.2
271.02469	28.2
272.02936	2.1
273.04004	1.0
283.02484	1.4
284.03210	0.5
285.04086	0.9
298.12991	0.2
299.01938	1.1
300.02740	56.5
301.03494	43.0
302.03906	2.5
313.05734	0.3
314.04245	2.7
315.05026	0.6
429.07187	0.2
447.09317	100.0
448.09641	8.1
448.15945	0.3
449.09616	0.3
477.10345	5.0
478.10672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	1.1
71.01382	12.5
71.04990	1.1
71.54254	0.9
73.02944	3.1
77.46275	1.0
81.03445	1.1
83.01377	1.7
85.02944	3.5
87.00861	4.4
89.02451	6.8
95.01363	1.5
97.02950	7.0
97.06571	1.9
99.00275	1.1
99.00880	16.3
101.02443	7.8
109.06558	1.8
110.03744	0.9
113.02431	4.3
119.03515	1.0
125.02467	5.1
125.09743	4.1
125.25657	0.9
129.13005	0.8
142.02719	1.9
161.04543	1.9
163.11261	7.9
179.05579	1.1
181.12325	13.0
199.13370	2.0
207.10254	36.0
208.10782	1.3
209.11818	1.6
225.11305	58.6
226.11592	2.6
235.08176	2.6
243.12376	20.3
255.23283	55.0
256.23553	2.7
281.24905	1.1
297.26837	0.9
299.15268	0.9
325.18231	1.0
367.15256	0.9
379.12381	3.3
397.13528	9.6
447.74902	0.8
486.04453	0.9
489.20880	0.8
507.56250	0.9
536.00031	0.9
605.24432	17.6
606.24921	2.2
622.66638	0.9
623.25598	7.4
653.37604	1.3
659.75793	1.0
861.48486	100.0
862.48743	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	921.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	0.7
65.52438	0.2
71.01375	0.7
73.02940	0.4
83.01379	1.0
85.02939	1.7
85.09946	0.2
87.00881	0.3
95.01378	0.3
101.02450	0.7
106.53611	0.2
107.01376	2.4
108.02173	0.8
108.71538	0.2
109.02953	1.7
111.00861	0.4
112.85614	0.2
113.02441	0.3
121.02946	1.6
129.01935	0.5
135.00870	0.4
136.24747	0.2
148.01643	0.6
149.02441	0.3
151.00352	9.1
152.00806	0.4
159.04521	0.4
159.19225	0.2
163.00371	2.3
164.01109	0.4
169.01367	0.2
172.86258	0.2
173.06024	0.2
178.99855	4.1
180.00055	0.2
183.04495	0.3
187.04016	0.3
199.04054	0.4
205.03500	0.8
209.04343	0.2
211.03951	0.8
223.04594	0.7
225.14984	0.3
226.02907	0.5
227.03493	2.0
228.04205	0.3
229.05144	0.3
229.70436	0.3
239.03389	0.3
243.02943	4.3
245.04501	1.4
254.02171	0.9
255.02971	13.8
256.03409	0.9
271.02451	25.6
272.02921	2.0
273.04007	0.8
283.02515	1.3
299.02072	0.4
300.02728	57.3
301.03470	43.0
302.03802	2.3
363.43127	0.3
369.19370	1.2
387.20132	0.6
429.21201	2.0
447.09280	100.0
448.09631	8.6
449.09842	0.6
473.16708	0.8
680.08807	0.3
685.06659	0.2
699.46991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00332	0.4
69.70434	1.5
73.34420	0.3
77.03999	0.4
79.01865	0.4
80.07067	0.3
83.01397	0.4
90.65755	0.2
93.03459	0.4
95.01369	0.3
96.74566	0.2
97.02974	0.4
97.36497	0.2
98.19897	0.5
105.03437	0.4
105.13736	0.2
107.01378	0.3
109.02953	1.6
119.05061	1.5
121.02938	0.8
123.00896	0.3
123.41193	0.3
125.02460	0.8
133.01930	0.5
133.02942	9.6
135.04541	1.4
137.02441	0.7
142.15186	0.2
147.04536	1.1
149.02441	1.2
150.17694	0.3
151.00359	0.3
151.04034	0.4
159.25092	0.2
161.02426	1.2
163.00356	1.0
163.04019	2.9
165.01871	1.9
169.06621	0.3
175.00270	0.3
175.03989	2.2
177.01920	0.8
179.03473	0.4
191.03510	1.8
191.05112	0.3
193.01421	0.9
198.03296	0.4
199.04036	1.1
201.01924	0.9
203.12163	0.3
212.04756	0.4
213.05525	0.9
215.03482	0.6
217.01567	0.3
225.05560	0.6
227.03568	0.4
227.07060	0.3
229.05005	0.7
240.04257	0.8
241.05106	0.7
253.05046	1.0
254.05838	0.3
255.02940	0.8
255.06554	0.7
256.03760	0.4
257.04529	0.4
269.04541	1.0
271.06198	0.6
281.04520	0.8
283.06226	0.4
284.03244	7.1
285.03992	6.1
286.04352	0.3
297.00650	0.5
297.04053	13.6
298.04788	7.6
299.05576	16.6
300.05963	1.0
309.04037	1.0
311.05609	2.5
324.02594	0.4
325.03568	1.0
327.05078	91.7
328.05417	5.5
339.05051	3.3
341.06622	1.0
357.06146	24.0
358.06396	1.6
369.06018	2.2
393.05951	1.0
431.09775	0.5
447.09293	100.0
448.09647	8.6
695.24963	0.3
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
69.03482	1.3
69.24136	9.0
71.01380	100.0
72.01704	1.3
72.99307	1.3
73.02948	5.1
73.38038	1.1
76.79028	0.9
81.03463	1.7
82.26824	0.9
83.01388	2.7
85.02948	5.7
87.00869	5.7
89.02447	19.6
91.02698	0.9
91.04017	0.9
91.44930	1.0
95.01389	2.5
97.02936	6.1
99.00882	4.6
101.02435	17.7
109.06575	8.0
113.02443	11.7
119.03483	4.9
125.02436	8.6
125.09736	3.0
127.11284	2.8
131.03505	1.9
143.03503	2.5
161.04538	3.6
163.11259	5.2
171.10258	56.3
172.10593	1.8
179.05580	4.5
181.08727	1.1
181.12340	2.5
197.61673	1.2
199.09735	13.8
199.13480	1.3
201.11331	12.9
207.10242	24.1
215.12849	1.4
225.11322	16.5
225.39745	1.1
226.11818	1.2
226.96193	1.1
235.08246	8.0
243.12320	1.9
247.06969	1.2
253.09164	2.1
277.21695	70.7
278.22070	4.7
287.07529	2.5
305.08844	1.9
323.09863	1.4
379.12527	5.2
397.13504	43.4
398.13666	2.8
415.14618	11.1
579.22980	1.8
605.24280	1.2
623.25354	2.4
675.36255	1.6
785.12402	1.2
855.21594	1.2
857.45032	3.1
860.31244	1.4
883.46545	12.7
884.47028	2.2
901.47791	4.1
919.49054	13.7
920.48944	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	919.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99796	0.7
69.03458	1.5
70.65583	1.8
71.01381	100.0
72.01711	1.1
72.47704	0.6
72.99324	1.7
73.02946	5.4
81.03448	1.6
83.01382	3.2
83.05036	1.2
85.02949	6.1
87.00870	6.5
89.02444	16.3
95.01390	1.9
97.02947	4.5
99.00876	3.1
99.69067	0.5
101.02442	16.4
103.00276	0.5
109.06602	5.8
111.00902	0.5
113.02444	8.9
119.03492	4.8
121.06597	0.7
123.00856	0.7
123.08173	0.8
125.02454	7.0
125.09693	2.7
127.11327	2.7
131.03502	0.7
133.05115	0.6
135.04514	0.5
135.08177	1.5
139.03981	0.7
141.01915	0.9
143.03482	3.6
151.07693	0.7
152.45119	0.6
153.09206	1.0
155.10771	2.2
161.04556	3.2
161.09731	0.7
163.11304	3.9
168.43707	0.6
171.10263	51.4
172.10635	1.5
179.05609	5.5
181.04941	0.6
181.08688	2.1
181.12335	2.3
199.09738	11.8
199.13387	0.9
201.11311	13.7
203.05600	0.5
207.10254	18.3
208.10571	1.1
209.11842	0.8
221.06654	2.0
225.11307	12.3
235.08260	5.9
243.12395	1.8
253.09248	1.2
263.07578	1.0
277.21710	68.6
278.22009	3.6
287.07663	1.2
289.42456	0.7
291.23163	0.7
305.08795	1.6
323.09845	0.9
365.99002	0.5
379.12375	6.1
397.13492	41.6
398.13831	2.5
415.14520	9.4
579.22748	1.1
605.24493	2.0
623.25287	2.4
785.21350	0.6
857.45380	3.7
858.45959	0.7
883.47064	10.1
884.47150	4.0
901.48041	2.3
918.50739	0.7
919.48859	9.1
920.49237	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	919.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
65.89368	1.4
69.03447	2.0
71.01383	100.0
71.54208	2.1
72.99295	4.6
73.02940	5.5
75.00880	3.7
78.61763	1.6
81.03455	1.9
83.01418	2.5
85.02943	7.1
87.00880	5.8
89.02437	19.2
95.01388	2.9
95.58065	1.3
96.96004	9.1
97.02940	5.8
99.00858	3.5
101.02439	19.9
105.01934	7.8
109.06575	10.9
113.02462	12.0
114.02704	1.5
119.03501	6.6
125.02438	8.4
125.09745	2.3
127.11322	4.1
141.01955	2.3
143.03476	4.3
146.20462	1.4
161.04527	3.3
161.06355	1.5
163.11258	7.9
171.10266	69.9
172.10620	1.8
179.05574	6.7
181.12332	1.8
199.09758	17.8
199.13434	2.3
201.11319	18.2
207.10258	28.3
221.06544	2.0
225.11327	17.4
235.08195	6.6
243.12480	3.6
265.14746	20.1
277.21722	65.1
278.22000	3.9
279.28207	1.4
305.08658	1.7
379.12259	5.6
397.13449	38.6
398.13940	2.1
415.14517	11.9
416.31635	1.7
597.24176	3.5
605.24365	1.9
623.25397	5.5
798.89569	1.8
857.44727	2.3
883.46674	12.4
884.48010	3.6
901.48199	2.6
919.49237	17.5
920.49280	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	919.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99815	0.8
69.03440	1.5
71.01382	100.0
71.43853	0.8
71.44192	0.8
72.01691	0.7
72.99314	1.9
73.02940	4.3
75.00872	0.9
75.75842	0.8
77.89829	0.6
81.03456	1.9
83.01389	2.7
83.05076	0.9
85.02938	5.4
87.00870	6.0
89.02445	17.8
91.04008	0.7
93.03470	1.0
94.24605	0.6
95.01404	2.6
97.02953	4.9
98.64822	0.7
99.00901	2.6
101.02437	17.1
109.02968	0.7
109.06591	7.5
113.02442	9.7
116.92884	0.7
119.03486	4.6
119.08628	0.6
121.03056	0.6
125.02445	8.4
125.06046	1.1
125.09737	2.8
127.11279	3.9
130.62077	0.8
131.03528	1.7
134.89444	0.9
135.08134	1.5
137.09718	0.9
139.03973	0.7
142.02734	0.8
143.03482	3.8
152.73033	0.7
155.10796	1.7
161.04546	5.6
163.11282	4.9
163.53145	0.7
171.10265	61.4
172.10590	2.0
179.05586	6.4
181.08629	1.2
181.12364	2.7
199.09747	14.8
199.13396	1.3
201.11325	21.1
207.10249	24.8
207.12222	1.4
208.10626	1.0
215.12964	0.8
217.07230	1.1
221.06673	2.6
225.11327	19.2
235.08260	4.5
243.12386	2.3
253.09377	1.5
277.21716	54.5
278.22144	3.1
287.07846	1.9
305.08856	0.9
323.10172	0.8
379.12476	5.4
397.13489	34.4
398.13821	1.7
415.14569	10.0
441.29803	1.1
579.23004	1.6
597.23926	2.0
605.24634	2.4
623.25269	4.2
857.44647	4.1
858.46442	1.6
883.46869	11.8
884.46973	3.2
901.48236	3.7
919.48877	12.5
920.49817	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	917.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48050	0.7
67.01879	1.1
69.03459	2.7
71.01381	36.3
72.99305	1.7
73.02947	10.5
81.03449	1.5
83.01376	5.2
83.05011	1.8
84.02160	0.9
85.02950	20.4
87.00879	3.0
89.02442	8.0
93.03465	9.9
95.01379	2.7
97.02939	2.7
99.00878	3.9
101.02444	20.4
109.02972	0.8
111.00900	1.7
111.04510	2.9
113.02444	9.9
119.03490	2.7
123.04410	0.7
125.02435	3.9
129.02037	0.7
134.03702	1.0
135.04504	1.2
142.88441	0.6
143.03485	1.9
150.57249	0.7
159.02951	1.4
161.02396	1.1
161.04597	4.5
173.04515	6.2
177.71432	0.7
179.05693	1.0
191.05638	4.6
245.06889	1.0
263.07721	0.6
270.87744	0.7
275.09433	1.0
314.26352	0.7
323.09753	1.1
371.22131	1.2
380.72302	0.7
449.14352	5.9
467.15402	3.6
468.16507	0.9
533.31000	2.4
695.36310	7.6
696.37488	1.2
857.41736	100.0
858.42047	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	917.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
66.52225	3.0
70.17080	10.9
70.45833	3.2
71.01387	23.8
77.66858	3.1
85.02950	4.4
87.00875	8.6
89.02458	22.3
97.02912	3.8
101.02454	20.3
105.25088	2.7
113.02436	11.3
116.92883	3.8
119.03486	9.1
121.06809	3.0
125.02409	10.8
139.28729	2.9
143.03493	4.2
155.10799	3.1
161.04575	7.7
168.78526	2.7
171.10211	4.3
179.05597	6.6
181.12315	4.1
197.11427	3.3
199.11740	5.2
199.13409	67.8
201.09572	5.5
201.11320	78.1
202.11687	3.7
209.11832	70.0
210.12317	3.2
227.12881	22.8
235.08128	7.2
255.23311	54.4
259.15524	4.2
277.21683	35.8
278.22021	4.5
293.21207	3.0
323.09610	3.3
379.12506	26.1
397.13486	100.0
398.13806	6.4
415.14532	17.4
473.12631	3.2
498.49173	4.1
521.73401	2.9
581.24420	11.9
589.24969	12.8
599.25439	5.7
607.25806	5.5
635.36395	17.5
653.37653	30.1
654.37952	5.6
837.48273	29.4
838.47943	4.9
845.48816	9.1
863.50171	4.7
917.48779	65.4
918.48920	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	917.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
67.83350	4.1
71.01379	30.9
71.53635	5.5
71.54081	5.9
73.02914	4.5
73.43423	4.2
77.10832	4.0
78.97881	4.1
79.21947	3.9
85.02948	5.2
87.00860	17.4
88.00414	6.5
89.02456	15.5
97.02937	5.3
101.02438	19.5
113.02447	9.0
116.92850	10.2
119.03520	6.6
125.01493	4.2
125.02417	9.6
125.09718	4.4
161.04546	5.8
179.05699	10.1
199.13364	16.8
201.11320	90.3
209.11824	85.1
227.12885	16.9
235.08145	8.0
247.75705	4.6
255.23302	61.0
256.23837	5.4
277.21683	14.0
294.65512	4.4
379.12479	28.0
397.13528	100.0
415.14459	15.1
491.48322	5.1
578.60327	5.0
581.23877	9.5
589.24866	19.8
607.26312	5.5
618.44470	5.2
635.36670	15.7
653.37488	41.7
837.48285	35.7
845.48761	13.6
917.48639	73.3
918.49084	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	915.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38875	0.2
65.00314	0.4
69.46684	1.5
71.01368	0.3
71.06627	0.2
83.01372	0.3
85.02942	0.3
91.16515	0.2
92.09988	0.2
101.02437	0.2
102.67685	0.2
107.01382	1.0
108.02174	0.4
109.02956	1.2
115.93580	0.2
121.02956	0.4
123.04498	0.4
125.02437	0.3
133.02940	0.4
135.00916	0.5
137.02434	0.3
149.02412	0.3
151.00357	4.4
151.04031	0.3
161.02454	0.5
163.00377	1.0
163.03952	0.2
164.01117	0.4
166.02711	1.1
167.03233	0.2
168.00587	0.2
174.03275	0.3
175.04060	0.2
177.01878	0.7
178.94243	0.2
178.99837	2.5
181.05052	1.1
182.05399	0.5
189.01910	1.7
190.02681	0.6
190.99864	0.3
191.01837	0.2
191.03481	0.7
191.05583	0.5
193.01424	0.4
198.03064	0.2
199.03920	0.3
201.14888	0.2
203.03493	0.3
215.03528	0.4
216.04225	0.5
217.01410	1.3
219.02969	0.7
226.02687	2.8
227.03471	1.5
228.04190	0.3
231.02823	0.4
243.02962	7.6
244.03549	0.4
245.04277	0.2
245.08113	0.5
254.02188	3.4
255.02960	5.5
256.03494	0.5
271.02454	36.0
272.02969	3.2
273.03894	0.3
283.02271	0.3
299.02011	0.3
300.02728	52.2
301.03442	15.1
302.03754	0.7
341.06686	3.2
342.07260	0.2
343.04575	0.5
383.05673	0.2
387.10754	0.2
417.15552	1.6
418.15894	1.3
419.16016	1.2
451.10184	4.7
452.10873	0.6
463.08795	100.0
464.09119	7.5
464.15741	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	0.4
70.20448	0.4
70.20805	0.9
71.01378	6.2
73.02944	6.3
79.94524	0.3
82.77657	0.3
83.01384	1.8
84.77665	0.3
85.02963	1.1
87.00916	0.3
89.02440	3.5
93.03462	1.4
99.00900	0.4
101.02444	5.6
109.02952	0.9
111.00871	0.4
113.02444	2.2
115.03999	0.3
116.29033	0.3
119.03510	0.9
119.05020	3.4
125.02447	1.9
131.03514	1.0
134.03706	0.5
135.04482	0.6
136.98738	0.5
137.02412	1.6
143.03535	0.6
148.05290	0.9
149.04538	1.3
149.05629	0.3
150.05811	0.3
151.03954	0.4
153.01923	12.6
161.04573	2.1
162.87743	0.3
163.03987	1.3
165.01961	0.5
166.02711	0.5
167.03510	0.5
173.04546	0.6
178.02673	0.3
179.03529	0.5
181.01418	60.2
182.01779	1.6
191.05624	1.5
195.02948	2.1
196.03757	41.8
197.04092	1.6
203.03537	0.3
211.06105	100.0
212.06454	3.6
221.06642	0.8
233.06621	0.8
253.07079	0.7
275.09177	0.5
293.08676	3.3
294.09113	1.1
295.09012	0.4
415.12177	2.2
415.23352	1.1
445.11404	2.5
449.14551	0.3
754.77612	0.4
793.63141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03467	1.4
70.65250	0.5
70.65553	0.7
71.01382	29.0
72.01720	0.5
72.99307	1.6
73.02947	31.7
75.00874	0.8
80.44573	0.3
81.03460	0.6
83.01382	9.1
85.02950	5.6
87.00868	0.9
89.02444	11.6
95.01395	1.3
97.02962	1.3
99.00877	1.2
101.02441	31.6
109.02960	1.1
111.00871	1.0
113.02448	13.2
115.04023	0.8
119.03494	4.8
125.02459	4.5
131.03519	4.0
132.69765	0.3
135.04485	0.5
137.02457	1.1
143.03502	4.1
148.05292	1.7
149.04556	8.2
151.00394	0.4
152.04796	0.5
153.01917	14.5
155.03474	0.8
161.04562	12.6
163.07590	0.7
167.03433	0.4
173.04561	0.8
179.05594	1.3
181.01422	62.8
182.01732	2.1
191.05629	1.6
195.03003	1.4
196.03754	45.0
197.04126	2.3
198.90901	0.4
203.05626	1.1
204.41606	0.4
211.06108	100.0
212.06442	5.1
221.06660	3.7
233.06595	2.7
242.50832	0.4
253.07179	0.9
293.08762	9.8
294.09158	0.9
314.65921	0.4
373.22244	3.0
415.12448	2.5
415.23383	6.1
457.17020	0.6
467.15259	0.5
468.76529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	2.9
69.03445	1.0
69.58317	2.2
71.01373	1.5
73.02946	0.4
75.34625	0.4
81.03432	0.9
83.05022	0.7
85.02943	6.2
87.00872	4.4
93.03458	22.8
94.03795	0.5
97.02920	0.6
98.19996	0.9
99.04492	0.6
107.01352	0.6
109.02945	3.5
111.04491	3.5
117.21374	0.5
119.05011	1.0
121.02937	1.6
125.02431	1.2
127.04013	1.3
129.01956	0.6
130.88338	0.4
133.02943	9.8
135.00935	0.5
135.04512	1.3
137.02454	0.9
147.04483	1.3
149.02432	1.4
151.04018	0.7
155.03500	1.0
158.03688	1.2
159.04489	1.6
161.02448	1.1
163.00378	1.8
163.04018	2.9
165.01924	1.5
172.05324	0.6
173.04544	18.8
173.05980	1.5
174.04849	0.9
174.06744	0.6
175.03976	2.6
175.07585	0.7
177.01900	0.6
183.04488	0.8
187.07626	8.6
189.01923	0.6
191.05595	84.7
192.05966	2.4
193.01372	2.0
198.03241	0.6
199.03961	1.3
200.04657	0.7
201.01904	1.2
201.05815	0.5
202.06322	1.4
203.03511	0.7
203.07051	0.4
203.10822	1.5
211.04120	0.6
212.04903	0.5
213.05545	1.8
213.09169	3.7
215.03502	0.6
215.07101	1.2
225.05542	0.9
227.07051	0.7
228.04358	0.5
229.05017	0.6
231.06532	0.8
231.10210	4.3
240.04063	0.8
241.05042	1.0
253.05000	1.3
255.02907	0.9
255.06618	0.6
257.04361	0.6
257.05051	0.6
257.08173	9.8
269.04544	0.6
275.09232	12.5
276.09329	0.6
284.03232	9.3
284.06418	0.5
285.04016	7.1
286.04343	0.5
293.10159	1.0
297.04013	14.9
298.04794	8.7
299.05566	18.7
300.05786	1.0
309.04160	1.0
311.05502	2.1
324.02475	0.7
325.03458	1.2
327.05066	95.0
328.05450	7.0
339.05121	3.2
341.06561	1.2
357.06134	22.8
358.06384	1.5
369.06171	2.4
377.08832	0.6
393.05804	0.7
447.09286	100.0
448.09637	9.0
449.14502	49.6
450.14728	5.1
467.15561	29.3
468.15808	3.0
551.39691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55513	6.4
71.01381	19.4
73.02937	6.4
73.58804	1.3
83.01400	2.9
85.02949	10.8
87.00877	3.2
89.02460	3.1
93.03453	5.4
95.01382	2.7
99.00889	3.8
101.02445	17.3
109.02932	2.0
109.75150	1.4
113.02463	11.6
125.02404	2.2
133.03011	1.4
134.03735	2.8
135.04558	1.5
137.02414	1.8
145.08708	1.5
151.00357	1.9
159.03018	1.4
161.02478	1.4
161.04515	7.2
163.00357	1.9
165.09245	1.7
167.03525	1.7
173.04570	2.0
179.03432	1.4
191.05595	13.2
192.42952	1.3
192.99760	1.3
205.24632	1.4
211.03911	1.5
217.12366	1.7
227.03473	16.8
228.03751	1.4
229.05070	3.3
255.02991	27.7
256.03525	3.2
257.04358	2.0
271.02341	2.7
281.04373	2.2
283.06085	3.8
284.03262	21.4
285.04013	26.2
286.04498	2.5
300.02753	7.0
301.03384	6.3
311.05521	6.8
361.16394	6.4
371.20618	3.5
379.17612	59.5
380.17957	4.9
397.18637	12.5
413.22003	3.0
421.18716	2.8
431.09763	35.9
432.09897	2.6
439.19702	100.0
440.20184	8.0
447.09402	14.6
914.87427	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	913.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01635	0.3
67.01892	3.4
67.09895	0.4
69.03448	0.9
69.24848	1.8
69.25273	1.0
71.01379	1.6
73.02955	0.4
77.03961	0.7
81.03449	0.9
83.05016	1.2
85.02950	7.2
87.00875	4.3
93.03452	25.2
94.03787	0.9
95.05059	0.4
96.96001	0.5
99.00867	0.4
99.04535	0.4
105.03445	0.4
109.02948	2.8
111.04514	3.7
117.03438	1.9
121.02969	0.9
122.03732	0.4
127.04008	1.4
129.01939	0.7
134.03789	0.4
135.04518	0.9
137.02431	1.7
146.03743	0.4
149.02435	0.6
151.00348	1.2
155.03513	2.0
158.03755	1.1
159.04468	1.8
161.02391	0.7
163.03958	1.0
165.01936	0.5
167.79146	0.3
172.05325	0.5
173.04538	33.0
173.05869	1.2
174.04887	0.8
174.06850	0.7
175.07663	0.5
178.99783	0.8
183.04424	0.8
187.04033	1.1
187.07632	9.7
188.08038	0.5
191.05597	100.0
192.05919	3.0
200.04813	0.8
201.05513	0.6
202.06334	5.3
203.06946	0.5
203.10776	0.6
213.05574	0.4
213.09195	4.9
214.09547	0.5
215.07147	2.0
228.04211	0.5
229.08618	0.8
231.06595	0.4
231.10222	9.3
232.10587	0.5
239.07016	0.4
243.02939	0.7
252.71187	0.4
255.02925	2.6
257.08167	10.1
263.12744	0.5
268.03729	0.5
271.02432	4.9
272.02820	0.5
275.09216	8.0
276.09625	0.4
281.04626	0.7
282.05362	0.6
283.06082	11.6
284.06396	0.5
289.10852	1.2
300.02713	9.8
301.03491	5.0
307.11789	0.9
311.05594	19.8
312.05792	2.1
323.05591	0.7
324.48190	0.3
341.06659	1.6
428.44931	0.3
431.09778	21.6
432.10242	1.8
449.14490	66.1
450.14874	5.8
463.08801	17.2
463.15521	0.7
464.08917	2.0
481.17154	16.8
482.17767	2.0
851.36493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.257
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	0.7
65.21964	0.3
67.01876	0.8
69.03445	0.3
71.01369	0.5
77.19429	0.2
81.03461	0.5
83.01383	0.7
85.02952	2.1
87.00867	1.0
93.03461	7.2
94.03786	0.3
106.49107	0.2
107.01394	2.1
108.02173	0.5
109.02953	1.9
111.04519	1.5
116.45970	0.3
121.02956	1.9
123.00861	0.2
129.01939	0.4
133.02982	1.1
134.03735	6.8
135.00865	0.4
135.04529	2.1
136.01611	0.2
137.02420	1.1
139.04007	0.5
148.01682	0.5
149.02348	0.4
150.99199	0.5
151.00372	8.3
151.03970	0.4
155.03464	0.7
159.04517	0.3
161.02379	0.4
163.00386	1.9
164.01025	0.3
173.04550	8.9
173.06053	0.5
174.05034	0.3
177.01955	1.2
178.02728	3.1
178.99860	3.8
179.03418	1.1
183.04521	0.3
187.03992	0.4
188.29541	0.3
190.99832	0.4
191.01971	0.7
191.05602	5.8
193.01224	0.3
199.04021	0.3
201.05540	0.5
211.04010	1.0
226.02711	0.7
227.03534	1.7
229.04945	0.6
231.10202	0.6
239.03581	0.4
243.02922	4.0
245.04616	1.4
254.02177	0.7
255.02983	12.6
256.03455	0.8
257.08209	0.4
271.02466	23.9
272.02921	1.9
273.04034	1.0
275.09207	1.5
283.02347	1.2
293.10355	6.8
294.10559	0.5
299.01974	0.4
300.02737	56.3
301.03476	40.9
302.03769	2.4
330.68414	0.3
445.67200	0.2
447.09299	100.0
448.09607	8.8
449.14609	2.6
467.15649	12.5
468.16211	1.3
824.72400	0.3
913.92499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.231
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	0.6
67.01856	0.6
68.99827	0.7
69.03445	0.6
71.01381	1.9
81.03458	7.8
83.01379	12.5
85.02939	3.2
88.98763	0.7
89.02433	0.8
93.03468	3.5
95.01357	1.6
95.05014	10.0
96.58421	0.6
96.95976	0.8
97.02931	2.8
99.04508	2.1
101.02430	1.2
102.46677	0.6
107.05012	2.4
108.02182	1.8
109.02948	5.6
111.00858	4.7
111.04525	1.1
113.02432	0.9
114.39775	0.5
117.98312	0.5
119.04997	1.3
121.02934	2.1
122.03731	1.3
123.00842	0.9
123.04521	20.4
124.04857	0.8
125.02448	18.7
128.70457	0.7
129.01947	1.1
133.02888	0.7
133.06573	0.7
135.00873	0.7
135.04532	7.2
135.84096	0.7
136.04851	0.7
137.02437	13.5
137.06067	14.2
139.04007	6.1
141.05560	1.5
147.04561	1.5
149.02422	1.9
149.06065	2.7
151.00346	1.1
151.04019	8.3
152.01140	1.2
153.01936	7.3
153.05563	0.6
155.03462	0.6
159.04538	0.7
161.02425	1.6
161.05988	0.8
163.00351	2.6
163.03963	3.2
164.04742	0.9
165.01891	2.7
165.05571	4.6
167.03487	65.7
168.03873	1.5
175.03976	2.4
177.01906	2.0
177.05530	5.0
179.03487	45.6
180.03954	1.7
181.05003	3.3
185.02542	0.6
189.01784	0.9
189.05533	1.1
191.03494	5.3
191.05348	1.3
193.01363	1.2
193.05069	10.4
194.05380	1.0
195.02974	5.5
197.04549	3.1
203.03549	1.1
205.01355	0.7
205.05060	2.3
206.02153	2.4
207.01021	1.0
207.02977	17.1
207.06459	0.8
208.03333	0.8
209.04535	100.0
210.04893	2.9
219.02934	5.4
220.03773	1.2
221.04529	33.9
222.04822	1.6
223.06122	0.7
224.93584	0.6
225.03976	0.7
229.28107	0.6
231.02835	0.8
233.04483	1.8
235.06110	1.0
237.04018	36.4
238.04355	1.1
239.05586	34.3
240.05850	1.5
249.04005	27.5
250.04453	1.7
251.05576	18.7
252.05962	1.2
261.03973	1.6
263.05627	1.2
279.05069	22.5
281.06708	3.9
291.05127	1.4
293.06680	0.9
309.06161	9.9
311.07770	3.4
323.07651	1.5
329.08765	27.6
330.08948	1.3
341.08716	15.6
342.09189	0.9
369.08188	2.7
381.08173	1.3
385.96457	0.7
389.08795	10.2
390.09094	0.6
399.09277	25.5
400.09650	1.9
401.07877	0.5
419.09875	1.5
447.09320	7.7
459.09354	7.6
477.10294	1.1
491.11981	1.2
509.12967	38.3
510.13370	3.0
549.12421	2.1
555.51257	0.8
561.12561	1.2
567.06506	0.7
567.13464	38.9
568.14001	4.4
579.13495	58.4
580.13800	6.5
621.09570	0.6
662.34106	0.7
753.29205	0.7
789.19098	2.7
909.23474	4.2
910.23035	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.9
69.34216	2.4
83.01401	0.7
93.03468	0.5
106.56911	0.3
107.01393	1.8
108.02170	0.6
109.02948	1.4
121.02953	1.1
127.34011	0.3
133.02945	1.3
135.00883	0.8
138.14806	0.3
148.01607	0.7
149.02428	0.9
150.03192	0.4
151.00360	8.2
153.01906	0.3
156.34839	0.3
163.00455	1.6
163.01515	0.3
169.01308	0.4
173.04567	0.5
175.04007	0.5
178.99844	3.6
187.03885	0.4
191.05624	2.4
198.03233	0.4
199.03986	1.0
211.03981	0.6
212.04788	0.4
215.03528	0.5
216.04201	0.3
217.05191	0.5
226.02721	0.8
227.03539	2.2
229.05092	0.8
239.03322	0.5
241.05034	0.4
243.02971	5.2
245.04625	0.4
254.02187	1.1
255.02971	14.6
256.03650	1.9
257.04297	0.3
271.02466	29.2
272.02850	1.7
273.03897	0.6
283.02484	0.9
284.03253	21.4
285.04025	46.3
286.04416	2.9
297.04016	0.4
299.01865	1.3
299.05301	0.5
300.02740	64.6
301.03491	28.5
302.03836	1.3
327.05167	1.2
343.04156	0.4
431.10037	0.6
447.09290	56.3
448.09579	4.8
449.09882	0.3
461.07080	0.5
463.08786	100.0
464.09079	8.1
542.68042	0.3
641.23798	0.3
714.75360	0.3
739.62402	0.3
936.94189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	9.1
69.03462	2.6
71.01380	4.1
71.54784	0.6
73.02942	0.6
77.84023	0.4
81.03463	2.4
83.05016	1.9
83.72810	0.4
85.02949	1.1
87.00874	10.0
89.02459	0.7
93.03458	65.6
94.03800	1.5
95.02728	0.4
95.05024	1.4
97.06562	1.2
99.00878	1.4
99.04520	0.8
105.03440	4.4
109.02938	0.7
111.04518	10.7
113.02459	1.2
115.03984	0.7
115.15345	0.5
117.03455	1.9
119.05006	2.8
120.05349	0.8
121.02947	0.6
123.04510	1.3
125.02387	0.5
127.04050	0.7
129.01924	1.6
133.02950	11.0
134.03740	25.1
135.04547	6.5
137.02435	10.0
137.03397	0.8
138.02948	0.4
143.03558	0.7
145.02988	0.7
151.00323	0.6
155.03505	4.6
159.04494	0.7
161.02461	1.8
162.03214	7.9
163.03999	1.2
166.02715	2.2
167.03358	0.6
173.04538	45.1
174.04845	1.2
177.01889	1.6
178.02731	1.4
181.01437	0.8
181.05057	6.4
187.07635	1.6
191.05595	6.6
196.03844	0.4
201.11371	0.6
203.10794	1.7
211.06070	1.0
231.10237	26.6
232.10609	0.9
257.08237	1.6
271.02585	0.7
275.09238	81.9
276.09534	5.7
285.03986	1.5
300.02844	2.5
301.03387	1.4
307.11853	0.8
327.05106	0.7
443.55496	0.4
445.11368	1.4
446.11774	0.9
446.77130	0.5
447.09079	4.1
448.09412	0.7
449.14532	100.0
450.14743	7.7
497.41592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02423	0.4
65.00324	1.0
69.46184	3.2
71.01384	2.1
73.02934	0.5
74.14906	0.3
81.03468	0.7
83.01393	0.9
85.02956	2.6
89.02447	0.7
93.03434	1.0
95.01425	0.7
101.02476	0.9
107.01405	2.4
108.02180	24.1
109.02967	11.7
113.02467	1.2
117.03471	9.5
119.05034	2.5
121.02953	2.6
121.10254	0.5
123.00845	0.6
123.04491	0.5
125.02455	1.0
128.32149	0.4
129.01939	0.5
135.00844	0.8
135.04532	0.5
145.02962	33.0
146.03325	1.0
149.02435	0.7
151.00380	7.8
151.03825	0.5
152.01160	40.7
153.01962	10.4
159.04553	0.6
161.02530	0.7
163.00388	2.4
163.04044	3.1
165.01907	0.8
171.04478	0.5
178.99890	4.4
187.03912	0.6
192.77097	0.4
195.02930	0.5
201.05630	0.6
211.03954	0.9
213.05533	0.9
215.03673	0.6
217.04822	0.4
218.42601	0.5
225.04022	0.5
226.02621	0.9
227.03484	1.5
243.02959	4.5
245.04523	2.0
254.02222	1.2
255.02985	13.9
256.03253	0.8
271.02472	25.3
272.02859	2.2
273.04065	0.9
283.02490	1.0
285.04111	0.7
300.02759	56.6
301.03510	43.7
301.08469	0.6
302.03912	2.2
307.08148	0.8
315.07257	15.2
316.07565	0.9
345.15582	1.4
447.09329	100.0
448.09653	9.7
461.10913	89.2
461.19980	4.4
461.24017	0.3
462.11230	7.6
533.63849	0.5
750.92810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46016	0.7
70.62569	1.9
72.31690	0.8
74.46251	0.7
93.03464	1.2
95.01386	13.6
99.92583	1.7
108.02141	2.4
109.02937	3.1
111.00892	2.7
116.92862	19.2
121.02976	2.5
122.03735	1.3
123.00887	62.3
123.04485	1.1
124.01680	26.1
135.04515	2.1
136.01662	13.3
137.02435	4.4
138.03242	1.1
147.04561	1.0
149.02444	1.5
151.02881	1.5
151.03998	16.2
159.04529	1.4
161.02475	0.8
161.06073	1.4
162.03162	0.8
163.03952	1.4
165.05496	0.8
169.12253	1.3
172.05270	1.5
173.06049	1.5
173.19655	0.8
175.03958	1.4
175.07661	1.0
177.01935	2.5
177.05617	1.2
178.02638	1.1
179.03490	1.4
187.07594	0.8
189.05536	5.8
190.06316	5.8
205.05066	1.1
205.08609	1.3
252.07832	1.1
268.31674	0.8
311.09045	1.4
326.11481	3.7
343.11859	3.2
354.97791	0.9
355.30826	0.9
371.11319	22.6
372.11920	3.3
373.12845	7.8
425.19669	6.6
443.20645	2.9
495.16354	3.0
509.14325	1.9
566.21307	2.1
746.25781	17.1
747.25732	3.1
803.03778	0.9
815.32800	100.0
816.33075	18.8
905.47583	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	3.4
73.02934	1.4
76.35516	0.7
79.84026	0.7
83.01391	0.8
85.02963	2.6
89.02460	1.2
93.03458	2.9
98.20676	1.4
101.02438	2.6
107.01381	1.6
108.02170	1.2
109.02933	6.7
113.02438	1.1
116.37354	0.6
119.05028	91.5
120.05363	2.6
123.00840	1.4
123.04498	2.4
125.02454	1.4
130.27554	0.7
133.02907	1.5
134.03743	0.8
135.04465	0.8
135.93936	0.7
137.02406	1.4
145.02959	2.5
149.24043	0.7
150.03156	0.9
151.00372	2.5
152.01158	2.6
153.01953	13.8
159.04405	0.8
161.04524	1.2
162.03293	0.7
163.00333	1.4
163.04004	44.2
164.04340	2.0
165.61984	0.7
166.02724	0.7
167.03481	13.9
173.04558	2.7
177.05550	5.8
185.06143	0.6
187.04001	1.4
191.05630	3.0
211.03941	0.9
227.03496	27.2
228.03857	1.7
229.04903	3.9
231.10118	1.3
243.02818	0.7
253.36847	0.7
255.02969	36.2
256.03564	4.3
257.04428	2.3
275.09293	3.1
284.03247	42.8
285.04013	41.7
286.04355	3.0
296.05377	1.2
297.06122	13.4
300.02713	1.7
301.03613	1.1
311.07758	23.8
312.07956	1.3
371.20660	0.8
378.36081	0.8
385.61536	0.6
431.09811	66.4
431.22574	2.2
432.10110	7.6
433.10638	0.8
443.09396	1.0
445.07806	1.1
447.09372	1.6
449.14310	2.2
455.22662	0.7
475.12439	100.0
476.12811	9.3
505.72183	0.9
527.30823	0.9
655.19464	0.8
699.08472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.325
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88296	0.2
70.41605	0.2
70.87132	0.7
71.01376	1.2
73.02950	0.6
77.03941	1.3
79.01888	0.7
85.02946	0.7
89.91663	0.2
93.03464	1.1
95.01366	0.3
95.05013	0.3
101.02453	1.0
105.03463	0.6
107.01368	0.4
113.02432	0.4
117.03462	5.9
118.03759	0.3
119.05014	0.8
121.02979	1.6
126.23418	0.2
133.02940	0.3
135.04504	1.7
137.02528	0.2
145.02965	0.5
147.04530	0.5
149.02452	1.4
159.04446	1.4
161.02466	3.2
163.00394	0.5
163.04012	3.1
165.01949	0.3
169.06462	0.2
173.02437	0.5
177.02008	0.2
179.03558	0.4
183.08061	0.3
189.01984	0.3
191.03479	1.2
191.05424	0.4
193.01389	0.3
193.66528	0.2
195.08089	0.2
196.05234	0.5
197.06067	0.6
203.03497	0.5
209.06062	0.3
209.46220	0.3
211.07581	0.4
215.07082	0.7
224.04758	0.3
225.05560	0.5
227.12915	0.4
227.16649	0.3
237.05510	0.2
239.07083	1.3
253.05038	0.3
267.06601	0.4
268.03751	1.8
269.04547	2.0
270.04865	0.4
281.04532	2.0
282.05243	1.5
283.06110	40.6
284.06479	3.2
293.04556	1.6
295.06091	0.9
309.04037	0.6
311.05597	75.4
312.05936	5.7
313.06061	0.5
314.04318	0.6
323.05551	2.9
324.06146	0.3
341.06656	7.0
342.06982	0.8
345.04041	0.3
353.06558	0.4
371.20789	1.1
389.21884	1.3
431.09808	100.0
432.10132	9.8
432.23105	0.4
433.10422	1.1
652.35907	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98536	7.1
63.55348	3.6
71.01382	50.1
72.01710	6.2
73.02941	15.0
83.01398	5.0
83.05038	3.8
84.05434	4.4
85.02967	28.5
89.02435	12.4
95.01368	5.4
96.88058	4.1
96.96005	5.0
97.02928	4.9
101.02450	30.2
102.02797	7.2
103.02820	4.7
113.02461	20.7
114.02802	4.4
119.03562	4.6
123.38894	3.6
125.02448	9.2
135.04524	6.0
136.01598	6.0
151.04004	7.1
161.04529	11.0
162.04982	5.1
191.05539	6.2
192.09410	4.4
265.75958	3.8
320.85318	4.0
345.16165	4.4
357.13489	4.6
501.85211	4.5
679.36005	6.1
680.36304	14.6
841.41083	16.5
842.41498	100.0
843.41571	6.1
858.10016	4.7
902.39337	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	903.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86208	0.3
70.04362	1.2
70.04699	0.5
71.01376	2.8
73.02944	0.6
83.01391	0.6
85.02959	1.1
93.03460	10.9
94.03789	0.3
96.99353	0.3
98.19968	0.4
101.02439	2.2
113.02450	1.4
119.05026	92.0
120.05367	2.7
121.02975	0.6
128.58650	0.3
131.97070	0.3
135.04544	0.4
136.01672	0.7
137.02443	25.9
138.02907	0.5
147.04558	0.5
151.03970	0.6
163.04005	44.5
164.04308	1.4
166.02690	1.6
167.74835	0.3
179.03558	1.0
181.05078	5.6
182.05466	0.3
191.05579	0.4
221.04558	0.6
256.03366	0.3
281.06662	24.8
282.07043	1.3
342.54575	0.3
401.12411	1.0
445.11374	100.0
446.11716	9.0
473.31003	0.3
847.72205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.196
Annotation	Unknow
Peak:m/z	Relative Intensity
65.15421	0.2
68.10071	0.1
71.24271	0.3
73.02943	0.7
95.01379	0.2
99.00872	0.2
99.92581	14.2
100.92598	0.7
114.05626	0.5
114.93419	0.6
116.07203	0.2
116.92859	100.0
116.97276	0.5
117.01955	1.2
117.92867	3.7
122.67582	0.2
123.00901	1.0
123.88046	0.2
124.01682	0.2
136.01634	0.3
137.02496	0.2
151.04080	0.3
185.32114	0.2
187.41783	0.2
217.30362	0.2
220.77182	0.2
345.51889	0.2
371.11267	0.3
380.59509	0.2
475.57840	0.2
746.26801	0.4
791.06842	0.2
815.32928	1.5
839.63062	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.358
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	0.9
71.54234	1.2
71.54620	1.3
93.03483	1.1
95.00799	1.5
95.01373	10.2
97.02955	1.0
99.92590	10.8
108.02241	1.3
109.02946	3.4
111.00881	1.6
116.92861	100.0
117.01939	1.2
117.92863	3.9
121.02959	2.7
122.03769	1.0
122.76488	0.9
123.00885	50.7
123.04527	1.6
124.01699	13.7
125.02464	1.2
133.02934	1.3
133.06389	0.8
135.04501	0.9
136.01662	25.6
137.02469	4.4
147.04468	2.5
149.02415	2.6
150.03160	1.2
151.04007	31.4
159.04472	1.1
160.05258	2.6
161.02426	1.1
161.06120	1.4
163.04002	2.1
164.04836	1.1
172.05261	0.9
172.80110	1.0
175.07645	3.0
177.02010	2.0
177.05553	1.7
178.02711	1.2
179.03429	1.0
187.03911	1.0
189.05571	4.0
190.06348	3.4
191.05652	1.1
203.03558	1.1
205.05052	1.4
297.11212	0.9
326.11554	1.0
327.08978	1.0
343.11887	2.5
371.11310	31.4
372.11792	3.9
373.12915	4.1
413.19748	10.9
425.19644	3.5
523.15826	2.8
566.21570	2.2
746.25690	9.7
747.25830	1.2
758.62677	1.2
815.32800	78.1
816.33246	14.2
905.50079	1.2
931.57446	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98522	9.7
67.43922	5.2
70.02778	3.7
70.54842	7.8
70.55201	10.0
71.01385	62.1
72.50099	3.7
73.02943	9.8
74.82693	4.4
77.06173	5.5
78.27782	4.2
83.01373	11.0
85.02940	27.9
86.03301	5.8
87.00877	5.6
89.02446	12.2
90.59393	4.9
93.03455	15.2
95.01372	5.2
99.00886	8.1
101.02442	31.7
102.02777	6.9
108.10401	5.2
109.03004	5.5
113.02450	20.9
121.02919	9.2
125.02454	11.6
128.47577	4.1
136.01718	4.4
141.51427	4.3
143.70744	4.3
149.04544	10.8
150.03154	6.5
150.06891	6.9
151.04037	6.6
161.04552	13.9
163.07666	4.6
165.05441	5.8
173.04626	5.9
179.10725	6.9
191.05560	12.3
207.10220	9.3
209.11795	12.9
223.13396	5.3
275.09018	5.0
298.07932	5.1
306.71680	4.3
309.07727	9.0
310.07941	5.3
312.10089	5.2
313.10406	5.5
313.49417	4.3
324.09924	9.9
325.10498	8.1
327.12314	27.1
328.12762	12.2
339.12231	20.0
340.12720	7.4
374.38538	5.0
413.94226	4.6
655.39270	6.5
680.35614	5.1
770.30963	15.8
841.41394	17.3
842.41650	100.0
843.42126	6.7
902.36938	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	901.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	0.8
69.88756	1.4
69.89159	2.6
71.01378	23.7
71.01771	1.2
71.05022	1.5
72.99310	2.9
73.02929	4.6
80.25937	0.7
80.96510	1.4
81.03458	1.3
83.01390	2.0
85.02934	4.4
87.00884	4.1
89.02438	11.0
95.01369	1.2
97.02958	5.8
98.20589	0.9
99.00878	14.3
99.92583	14.2
101.02435	12.0
109.06607	2.0
111.00858	1.0
113.02477	5.0
114.93375	0.8
116.92860	100.0
117.02000	1.1
117.92869	4.4
119.03507	2.8
123.08172	1.1
125.02451	3.2
125.09703	6.0
135.08189	0.8
136.05261	1.0
142.02757	0.9
143.03484	1.7
151.07674	1.0
153.12976	0.9
161.04568	2.6
163.11301	10.2
171.10251	12.3
179.05602	2.0
179.10744	1.1
181.12335	12.7
182.12604	1.0
190.90041	0.7
197.11801	1.3
199.09760	1.4
199.13390	13.7
201.11226	3.5
207.10242	30.3
207.12209	1.6
208.10722	1.5
221.06630	2.8
221.51895	0.8
221.92917	0.7
225.11307	51.3
226.11719	2.1
235.08246	2.0
243.12347	15.3
244.12703	1.0
277.21713	36.1
278.22061	2.4
312.05032	0.9
371.11691	1.0
379.12396	2.1
397.13461	11.5
398.13666	1.0
415.14661	3.8
605.24426	4.0
623.25336	4.8
883.46930	11.6
884.47363	3.3
901.47906	98.1
902.48218	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	901.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	18.0
71.05012	2.1
72.99310	2.2
73.02950	5.3
80.96519	1.5
81.03467	1.5
83.01380	1.1
85.02944	3.9
87.00864	3.4
88.74796	0.9
89.02428	9.6
97.02962	6.0
97.06557	1.6
99.00884	11.0
99.92580	10.7
100.92608	1.1
101.02439	11.2
109.06572	2.2
112.80195	1.0
113.02455	4.7
116.92857	82.1
117.92860	4.2
118.97784	1.1
119.03485	2.7
125.02426	4.5
125.09734	7.4
142.02660	1.5
143.03427	1.1
161.04517	1.9
163.11285	7.7
171.10239	12.3
179.05557	2.1
181.12321	10.2
197.11842	1.6
199.09732	2.4
199.13435	8.1
201.11299	4.8
207.10234	28.0
221.06612	1.2
225.11307	37.7
226.11848	1.3
235.08157	2.3
243.12386	7.7
277.21707	47.0
278.21912	3.1
343.84805	0.9
375.10675	0.9
379.12466	2.6
397.13528	14.6
409.50800	1.1
415.14539	3.5
418.85269	1.0
419.20538	1.2
457.14481	1.1
605.24451	3.9
623.25586	3.2
867.34900	1.1
883.46790	16.7
884.46692	1.7
901.47949	100.0
902.48285	19.0
925.79321	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92967	0.6
71.01381	4.0
71.05006	0.6
71.55024	0.7
73.02948	3.2
76.29240	0.5
83.01383	2.5
83.05024	1.7
85.02956	2.5
87.00870	1.0
89.02448	3.6
91.56605	0.5
93.03454	4.4
95.01379	0.9
95.05020	0.5
101.02432	1.9
105.07069	0.6
107.05030	0.7
108.02177	2.2
109.02946	1.3
111.00924	0.6
113.02456	1.8
121.02967	3.1
122.03714	1.6
123.04523	1.2
124.01671	0.7
131.03502	0.8
134.03716	1.0
135.04489	0.9
136.01657	75.9
137.02348	2.5
145.10144	0.5
149.04552	4.0
149.06018	0.6
151.04005	100.0
152.04318	3.3
160.05348	1.1
161.04581	1.4
161.13321	1.6
162.03207	1.2
163.03993	1.4
163.11255	1.8
173.04535	2.3
174.04747	0.6
175.03943	1.3
175.07610	1.3
176.04791	0.9
177.05577	0.9
179.14429	0.8
185.09737	0.6
187.11267	1.8
189.05554	0.9
189.09160	0.6
191.05563	2.4
191.07092	0.7
203.05565	1.6
205.12358	5.4
207.10245	26.5
208.10522	0.8
223.13397	12.0
224.13751	0.5
231.10294	1.1
247.13425	0.7
249.11282	2.8
267.12387	2.0
273.11108	0.7
294.09137	0.6
297.07794	0.9
297.11096	0.7
309.07605	1.4
311.13043	0.9
312.09918	1.3
324.10031	1.1
327.12415	6.5
339.12299	2.0
342.11066	4.9
343.11783	1.7
357.13400	85.8
358.13852	6.3
411.16660	3.7
449.14584	1.2
450.14661	1.3
451.14850	1.4
452.42297	0.6
501.17560	3.0
539.65845	0.6
543.20618	1.3
549.66095	0.6
561.19611	1.1
688.15814	0.6
740.84784	0.6
751.29376	0.7
769.30762	8.8
770.31348	1.5
895.36139	0.7
901.34949	26.9
902.35211	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	901.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.1
69.21606	2.0
69.22009	6.2
71.01388	8.4
73.02950	7.6
79.05524	0.8
80.13347	0.7
83.01376	6.1
83.05025	7.2
85.02945	3.6
87.00890	1.6
89.02438	5.1
93.03470	8.2
95.05022	0.7
96.96002	0.7
97.02943	1.0
98.20676	1.5
101.02452	3.1
107.05039	1.9
109.02923	1.4
109.06584	1.8
111.04550	0.9
113.02431	2.5
121.02933	4.7
121.06577	1.5
123.04536	1.3
125.02419	1.6
129.07103	3.1
131.03508	2.0
133.03058	0.9
133.06601	1.0
134.03760	1.7
135.04521	2.3
136.01645	7.5
137.02415	1.1
145.02930	1.8
145.10136	3.8
146.03703	1.6
147.04536	1.6
147.08174	1.9
149.02515	1.4
149.04567	14.6
149.05901	1.4
150.03162	1.6
150.04913	0.8
151.03990	10.2
159.08185	1.4
161.04558	1.3
161.09694	4.2
161.13365	1.7
163.03960	1.1
163.11269	4.6
165.05554	2.1
173.04535	5.1
175.04013	5.4
178.02788	0.8
179.07161	1.5
179.14485	0.8
185.09564	1.1
187.11220	3.9
189.09230	1.8
190.06320	2.9
191.05574	7.2
192.05956	1.3
195.06567	1.4
201.11206	1.6
203.07108	1.1
203.10783	2.1
205.12306	6.4
207.10249	30.3
208.10538	1.1
209.11830	1.8
221.06021	0.9
222.05254	4.0
223.07642	1.1
223.13397	10.1
225.11362	1.3
227.12836	0.8
229.12236	1.0
231.10284	2.1
235.07704	1.9
239.07071	1.4
242.49290	0.8
246.06912	1.0
249.11368	4.6
251.07182	1.6
253.08624	2.3
257.08380	0.7
262.06281	1.4
263.07132	4.7
264.07632	1.1
265.08597	1.0
267.06580	2.4
267.12448	5.2
268.07339	1.8
269.08173	7.9
269.87357	0.8
273.11157	1.7
275.09381	1.0
279.06747	6.0
280.07321	1.3
281.08203	12.1
282.08841	2.2
283.09756	2.1
291.06607	2.5
291.12323	0.9
292.07214	1.6
293.08255	4.4
294.06262	0.9
294.08862	4.7
295.09698	1.8
296.10461	2.8
297.07712	28.0
297.11041	2.1
298.08142	2.1
307.09705	2.1
308.10507	4.1
309.07773	48.4
309.11258	11.1
310.08127	4.0
310.11365	0.9
311.09207	2.2
312.10022	27.8
313.10568	3.1
315.12436	1.3
323.09293	14.0
324.09991	34.5
325.10516	2.2
327.12350	100.0
328.12653	6.6
333.13373	2.0
339.12341	90.6
340.12750	6.5
351.14429	1.4
357.13361	10.3
393.15533	1.4
397.13492	1.3
411.16660	7.8
412.16931	1.0
449.14536	6.5
450.14804	2.1
451.15140	2.1
577.85498	0.8
660.21460	1.0
751.29736	2.0
761.56415	0.8
769.30701	64.2
770.30878	12.2
789.71887	0.8
793.54742	0.8
901.34955	28.7
902.35406	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	899.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	4.3
69.05659	0.8
71.01379	13.8
71.54097	1.1
72.99313	1.0
73.02947	2.7
81.04482	1.0
83.01365	1.6
85.02940	3.1
87.00875	2.9
89.02444	9.0
90.32750	0.9
95.01379	1.1
97.02959	2.2
99.00901	1.2
101.02450	8.5
111.04477	1.2
113.02444	3.2
115.00391	1.2
119.03468	1.4
123.08118	1.2
125.02475	2.4
125.09700	2.2
129.82167	0.9
151.11336	2.4
153.12732	1.0
161.04527	1.7
161.09662	2.1
171.10294	1.1
179.10742	4.1
192.48047	1.2
197.11818	31.7
198.12250	1.5
223.09706	1.9
235.08220	1.8
241.10873	2.7
277.21716	31.6
278.22000	2.8
309.20578	1.3
310.21011	1.4
342.58817	1.0
397.13519	4.5
415.14267	1.1
899.46448	100.0
900.46637	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	900.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
64.05291	7.1
69.83195	7.3
71.01384	43.5
71.54471	10.8
71.55150	7.0
73.71746	7.1
83.04993	7.5
89.02422	11.4
91.78458	8.2
96.96016	19.1
101.02446	20.9
110.13928	6.4
113.02493	11.9
114.93457	6.9
116.92822	10.3
125.02425	16.3
127.77152	7.6
129.83987	7.1
132.04816	7.5
139.52737	7.3
180.60501	7.1
195.13795	9.4
209.11798	100.0
211.13309	9.4
215.00743	7.4
223.13477	8.7
291.19812	8.3
293.21240	88.4
309.20734	7.7
341.23215	8.3
397.13507	43.3
415.14542	9.5
498.04916	8.1
561.19977	8.6
619.84680	7.8
784.71967	7.7
900.43860	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	901.35
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03958	0.5
69.03447	0.7
71.01377	7.4
71.98400	0.6
73.02946	5.1
79.05508	0.5
81.07076	0.6
83.01389	4.6
83.05029	2.9
85.02955	2.4
87.00871	1.1
88.19270	0.5
89.02444	5.7
91.24329	0.5
93.03425	2.6
93.07077	0.7
95.01402	0.6
95.05013	1.2
97.02937	0.6
98.20650	1.2
99.04529	0.6
101.02441	4.1
105.07098	0.5
107.05006	1.0
109.02956	0.5
113.02438	2.3
113.06129	0.6
121.02966	3.6
123.04539	0.6
125.02433	0.5
125.66578	0.5
128.94930	0.5
131.03465	1.0
135.04536	1.5
145.02940	1.6
145.10191	0.9
147.04495	1.0
148.84525	0.5
149.04547	4.9
149.06107	1.5
150.82646	0.5
159.04575	0.6
160.05360	0.5
161.04573	1.3
161.09685	1.5
161.13368	1.9
162.03157	0.6
163.04042	1.5
163.11288	4.6
173.04518	1.6
175.04001	7.3
179.07050	0.8
179.14384	0.8
187.11240	3.2
189.09203	1.0
190.06322	3.4
191.05595	2.0
203.05591	1.3
203.07201	1.4
203.10817	0.9
205.12325	12.7
207.10245	67.4
208.10611	3.0
209.11777	1.4
217.06604	0.5
221.06091	0.7
222.05281	4.1
223.13385	18.3
224.13811	1.3
225.05457	0.7
229.12286	0.8
231.10283	2.3
235.07623	2.0
237.09145	0.8
239.07083	1.6
241.05048	0.8
247.07474	0.8
247.13377	0.7
249.05644	0.9
249.11322	6.9
251.07095	1.9
253.05081	0.6
253.08699	2.9
261.05566	1.5
262.06448	1.0
263.07126	4.8
264.07785	0.9
265.08734	1.1
267.06528	3.2
267.12399	7.0
268.07294	1.4
268.10907	1.2
269.08191	6.2
270.08447	0.7
273.01297	0.6
273.05313	0.6
273.11383	1.2
275.06827	0.8
278.06140	0.6
278.09418	1.1
279.06711	6.0
280.07278	1.3
281.08160	10.7
282.08783	1.9
283.09860	2.8
291.06650	3.5
291.12393	2.0
292.07458	1.9
293.08081	5.6
294.08917	6.0
295.09702	1.9
296.07086	1.3
296.10446	2.6
297.07684	32.4
297.11169	3.0
298.07980	1.8
307.09738	1.9
308.10522	4.6
309.07678	52.1
309.11282	12.7
310.08044	3.0
310.11389	0.9
311.09232	1.8
312.10028	25.9
313.10403	3.6
315.12393	1.4
323.09225	11.7
324.09995	39.4
325.10580	4.9
327.12347	100.0
328.12671	6.8
333.13370	3.2
339.12335	86.9
340.12677	6.6
351.14517	2.1
357.13330	3.1
375.20447	1.0
376.20816	0.7
393.15585	1.5
399.16510	0.7
411.10956	0.7
411.16544	14.3
412.16876	1.4
449.14468	1.2
450.14597	0.9
451.15247	1.2
478.15390	0.5
543.20483	3.1
544.20715	0.7
769.30762	26.3
770.31000	4.3
901.34973	42.4
902.35352	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	899.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	3.6
71.01382	12.6
71.54144	1.4
71.54527	1.2
73.02942	2.4
85.02928	3.1
87.00895	2.7
89.02435	6.2
95.01400	2.0
97.02911	2.1
99.00883	1.6
101.02438	10.0
113.02443	4.5
119.03470	1.7
125.02417	2.2
125.09708	1.3
131.67006	1.1
147.05573	1.3
151.11227	1.5
161.04443	1.7
161.09676	2.8
171.10208	1.5
179.10811	6.2
197.11821	45.1
198.12119	1.6
205.08585	2.0
221.06572	2.1
241.10806	4.1
261.42673	1.4
277.21671	20.7
279.23077	1.5
310.21002	1.4
323.09821	1.9
397.13391	5.2
553.97363	1.5
603.33777	1.5
626.63641	1.6
881.45233	2.0
899.46362	100.0
900.46710	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	899.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01879	0.6
68.99801	0.3
69.03453	2.3
71.01379	55.7
72.01710	0.7
72.99300	1.6
73.02947	14.8
75.00887	0.8
80.63501	0.3
81.03456	1.9
83.01382	6.3
83.05019	2.5
84.02170	0.9
85.02947	24.2
87.00876	3.3
89.02441	14.7
93.03460	6.9
95.01386	4.8
95.05025	1.1
97.02940	3.1
98.20726	0.9
99.00874	5.4
99.04525	0.3
101.02438	34.8
102.02793	0.4
111.00853	1.9
111.04522	2.6
113.02445	17.7
114.02760	0.4
119.03490	5.6
121.02944	4.6
121.06595	0.4
123.04505	1.1
125.02441	6.1
129.01938	0.8
131.03513	1.6
134.03691	0.4
135.04475	0.4
139.04005	0.7
141.01953	1.0
143.03485	3.4
149.04503	0.3
149.06075	2.0
159.02960	2.7
161.04547	12.8
161.05894	0.6
162.04858	0.4
173.04561	1.7
179.05603	2.3
180.46217	0.3
191.05592	1.4
221.06647	2.3
228.28876	0.3
229.38852	0.4
233.06731	0.6
245.06657	1.1
249.18402	0.6
263.07693	2.1
269.62119	0.3
275.09143	0.4
323.09787	5.6
371.22159	0.4
393.26202	0.6
449.14636	1.4
497.29095	0.8
515.23145	0.6
515.30157	7.4
516.30591	1.5
533.83832	0.4
677.35358	15.2
678.35681	2.3
692.88647	0.4
839.40637	100.0
840.40985	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	899.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	1.7
69.65142	1.3
69.65553	2.9
71.01379	58.5
72.01727	0.8
72.99294	2.1
73.02941	16.9
81.03449	2.1
83.01382	7.6
83.05009	3.0
84.02149	1.4
85.02950	27.2
87.00872	3.1
89.02448	15.7
93.03451	1.8
95.01389	4.6
96.73508	0.6
97.02959	3.0
99.00877	6.5
101.02439	37.0
101.26382	0.7
109.02972	0.6
111.00896	1.9
111.04505	4.2
113.02445	20.5
119.03491	4.9
125.02438	7.0
129.01987	0.7
131.03502	0.8
135.04550	3.6
140.46082	0.6
143.03519	3.8
151.03882	0.6
159.03008	3.8
160.72415	0.6
161.04558	16.5
178.79324	0.6
179.03496	0.8
179.05602	2.7
191.05518	1.3
211.14380	0.6
221.06638	2.2
245.06544	1.3
247.53094	0.6
263.07806	1.7
323.09872	5.3
324.10889	0.7
341.72366	0.7
352.07861	1.8
372.82242	0.7
449.14642	1.7
515.30164	5.9
522.79529	0.7
539.17249	0.8
677.35437	23.4
677.47113	1.1
678.36053	3.8
839.40607	100.0
840.40918	19.8
897.50861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88159	0.5
67.01889	11.3
69.03458	2.9
71.01373	5.1
71.54998	0.4
72.37121	0.4
73.02940	0.5
81.03468	2.4
83.01394	0.7
83.05032	1.7
85.02932	2.8
87.00875	13.0
93.03456	81.4
94.03300	0.4
94.03786	2.4
95.05096	0.4
96.95981	0.7
97.02988	0.4
99.00874	1.6
99.04498	1.1
101.02468	0.5
105.03417	0.8
109.02948	1.8
111.00883	2.9
111.04526	11.8
111.35645	0.4
113.02461	1.5
115.03983	0.9
117.03481	0.6
121.02913	0.5
123.04488	0.5
125.02421	1.4
127.03998	0.6
129.01955	2.0
133.02962	3.2
134.03749	6.7
135.04532	6.3
137.02428	3.4
143.03510	0.9
150.03215	1.3
151.04024	1.2
154.99821	0.5
155.03493	3.9
160.01633	0.7
161.02458	1.1
162.03218	1.7
165.05615	0.8
171.10287	0.5
173.00858	1.3
173.04536	76.2
174.04845	2.1
175.04039	0.5
177.01932	0.8
178.02805	0.7
179.03481	1.5
179.31384	0.4
187.07645	0.8
191.05606	13.6
192.06000	0.8
195.06645	0.5
209.11821	0.7
215.07103	0.6
215.12877	0.7
231.10211	5.4
257.08188	0.9
275.09256	10.3
276.09787	0.7
283.06323	0.6
291.57175	0.4
301.03455	0.5
308.08966	0.8
311.05533	1.0
339.12280	0.6
351.07376	0.9
352.07867	1.6
353.08279	0.5
390.20261	0.5
431.09674	1.4
447.09143	0.7
449.14505	100.0
450.14822	10.3
899.29889	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69767	3.9
75.53461	0.7
81.03461	2.5
83.01382	4.1
85.02969	1.0
93.03464	1.7
95.01376	0.9
95.05054	2.0
97.02952	3.4
105.03490	0.7
107.04997	1.3
108.02174	1.4
109.02947	22.0
117.03464	1.2
121.02958	3.1
122.03751	1.4
123.04527	14.0
125.02443	100.0
126.02782	2.2
131.05028	1.0
133.02982	4.1
134.03752	0.6
135.04533	1.7
137.02440	22.4
138.03194	1.0
139.03990	3.1
143.05081	0.7
145.02972	1.3
146.03745	1.0
147.04489	0.9
149.02458	5.3
150.03246	1.3
151.04005	15.8
152.04305	0.7
157.06647	0.6
159.04546	2.8
160.05315	0.9
161.02437	28.7
161.03772	1.4
161.06071	4.7
162.03174	3.1
163.00378	1.7
163.04004	4.2
164.01149	5.4
165.01913	6.0
167.03517	1.7
169.11389	0.7
173.06139	0.6
174.03287	0.6
175.04004	10.0
175.07591	1.2
175.80501	0.6
177.01895	6.6
177.05525	1.5
178.02727	1.0
179.03520	4.7
185.06023	1.3
187.04010	8.2
188.04810	3.7
189.05444	0.6
193.05049	1.0
199.04013	1.3
199.07692	0.7
201.05562	2.6
202.06200	1.4
203.03516	1.7
203.07132	11.9
205.01416	3.1
205.05040	8.5
211.03996	1.4
212.04843	1.0
213.05644	1.0
214.02553	0.7
215.03453	1.9
217.04996	1.9
217.08530	0.6
219.06673	0.7
221.08112	1.9
227.03444	1.7
227.07097	1.9
228.04291	1.7
229.05019	4.9
230.05722	1.6
231.02951	1.5
231.06647	0.7
239.66841	0.6
243.03087	3.0
243.06506	0.9
244.03445	0.7
245.04515	8.1
245.08159	17.6
246.04890	0.7
247.06104	1.5
253.05093	1.5
255.02962	11.2
255.06081	0.7
255.06831	0.8
256.03735	5.5
257.04526	2.8
269.04425	2.2
271.06052	1.7
273.04016	5.6
274.04404	0.8
281.04480	4.0
283.02487	2.3
285.04031	3.3
287.05594	12.4
289.07172	62.9
290.07596	4.1
297.04163	1.6
297.07645	1.2
298.04620	0.7
299.05640	5.8
315.08838	0.8
329.06552	1.4
331.08072	0.9
339.08740	5.3
381.09760	2.0
389.06595	1.2
407.07666	65.0
408.08084	6.3
409.09537	0.8
425.08749	82.6
426.09186	7.5
451.10266	18.0
452.11002	1.5
538.39844	0.8
559.12579	2.0
577.13470	60.4
578.13892	7.2
787.32391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01893	10.6
68.51373	0.5
69.03445	2.7
70.60619	0.4
71.01387	4.6
71.54887	0.7
78.74801	0.4
81.03455	2.0
83.05015	2.1
85.02944	3.1
87.00340	0.7
87.00875	13.5
93.03457	83.5
94.03796	2.0
97.02937	0.6
97.06580	1.6
99.00889	1.3
99.04527	0.5
101.02427	0.6
105.30491	0.4
107.66425	0.5
109.02950	1.6
111.00822	0.5
111.04519	12.3
113.02450	1.3
115.04012	0.8
119.05085	0.5
129.01930	2.0
133.02925	3.1
134.03740	29.3
135.04536	11.5
137.02457	4.4
139.04037	0.6
143.03496	0.7
151.00394	0.6
155.03471	4.9
156.80713	0.4
159.04469	0.5
161.02426	0.7
173.04541	68.2
174.04868	1.6
177.01971	2.9
178.02690	13.2
179.03477	5.6
185.06059	0.5
187.04022	1.0
191.02007	2.0
191.05602	5.5
222.05038	0.5
223.04688	0.4
227.03488	10.8
228.03882	0.7
229.04996	2.1
231.10187	2.2
246.58160	0.5
255.02985	16.8
256.03497	2.7
257.04727	1.0
261.84784	0.6
273.85358	0.5
275.09314	5.3
281.04547	1.1
283.06113	0.7
284.03253	19.1
284.06448	0.9
285.04031	20.1
286.04425	1.1
287.43353	0.5
293.10327	25.1
294.10690	1.2
299.05551	0.6
311.05667	1.7
320.77567	0.5
431.09790	41.9
432.10202	4.5
449.14514	28.2
450.14917	2.6
457.95618	0.5
467.15567	100.0
468.15909	9.0
542.67352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01912	1.0
69.03429	0.5
70.64372	0.6
70.64716	1.0
71.01376	1.5
77.03958	1.5
79.01862	0.4
80.90253	0.4
81.03456	0.7
83.01405	0.4
83.05033	0.7
85.02955	2.6
87.00858	1.7
93.03458	14.3
94.03817	0.5
105.03463	0.7
107.01439	0.4
108.02191	2.6
109.03007	2.2
111.04520	2.5
117.03456	4.9
119.05037	0.7
121.02938	1.4
127.04006	0.6
133.02986	0.7
134.03752	6.0
135.04510	2.9
137.02397	1.4
145.02960	0.7
149.02428	1.9
150.62834	0.4
152.01155	2.6
153.01836	1.5
155.03477	1.3
158.03560	0.5
159.04588	2.0
161.02425	2.0
163.03993	2.0
165.01918	0.6
167.03499	0.5
171.20232	0.4
173.04556	19.1
174.04996	0.5
174.06842	0.7
178.02722	2.1
187.07568	2.8
189.02011	0.5
191.05605	38.6
192.05966	1.0
197.06059	1.1
202.06400	0.6
203.03511	0.6
203.10843	1.1
211.07697	0.5
213.09338	2.0
215.07117	0.6
231.10318	2.2
239.07130	0.8
257.08182	3.1
268.03745	1.7
269.04514	2.4
271.02402	0.7
272.03006	0.6
275.09256	5.4
281.04510	2.2
282.05194	1.6
283.06122	33.9
284.06537	2.5
285.06558	0.5
293.04816	2.1
293.10324	7.7
294.10703	0.6
295.06149	1.0
300.02728	1.3
301.03125	1.5
302.03485	1.2
303.03952	1.0
311.05600	68.4
312.05945	7.4
313.06378	0.9
323.05566	2.3
341.06619	7.8
342.06992	0.8
353.06720	0.6
431.09814	100.0
432.10098	11.5
433.10721	0.7
438.25046	0.5
449.14542	22.0
450.14691	2.6
463.08658	1.2
464.08853	1.2
465.10080	4.2
466.10446	4.2
467.10724	2.2
467.15845	19.7
468.15826	2.1
778.26764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.8
69.44268	1.1
69.44695	1.0
74.02497	0.7
83.01380	0.6
91.97116	0.3
93.03451	0.4
98.20653	0.4
107.01371	1.5
108.02198	0.6
109.02975	0.6
117.98204	0.3
121.02955	1.4
135.00911	0.5
148.01645	0.5
151.00359	7.1
151.03239	0.3
152.00667	0.4
163.00336	1.5
164.01180	0.5
169.01387	0.3
178.99870	3.7
191.05635	0.6
203.03572	0.5
203.08246	0.8
211.04111	0.4
216.04243	0.6
226.02666	0.9
227.03458	1.3
228.04172	0.3
229.05043	0.6
243.00510	0.3
243.02951	5.3
244.03638	0.4
245.04668	0.5
245.09279	1.2
254.02222	1.0
255.02959	15.0
256.03375	0.9
271.02466	29.6
272.02869	2.2
273.04086	0.7
283.02435	0.8
299.02036	0.4
300.02737	65.3
301.03439	26.7
302.03931	1.5
343.04385	0.4
447.09512	1.4
517.07117	0.3
609.14569	100.0
610.14899	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	899.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01876	1.4
69.03450	0.5
71.01379	0.9
77.03960	1.0
79.01881	0.5
81.03444	0.5
83.05032	0.4
85.02959	1.9
87.00887	2.0
93.03454	12.4
98.94291	0.3
103.71183	0.3
108.02168	0.8
109.02943	0.8
111.04510	2.2
117.03461	5.2
118.26968	0.4
119.05018	0.3
121.02956	1.3
127.03958	0.8
132.19215	0.3
133.03011	0.5
134.03723	5.3
135.04527	2.4
136.01636	0.4
137.02422	0.7
137.79854	0.4
142.75513	0.3
147.04527	0.4
149.02440	1.4
152.01137	0.9
153.01842	0.6
155.03470	1.2
158.03712	0.6
159.04541	1.8
161.02425	2.3
163.04022	2.1
165.01894	0.4
173.04541	16.0
173.05939	0.6
174.04868	0.5
177.01958	0.8
178.02759	1.9
179.03471	1.2
183.04543	0.7
187.07683	2.2
191.03777	1.1
191.05597	32.6
192.05920	1.0
196.05339	0.3
197.06102	0.5
202.06432	0.6
203.03441	0.8
203.10773	1.0
213.09181	1.2
215.07053	0.9
231.10260	2.0
239.07185	1.1
257.08167	3.4
268.03677	2.0
269.04565	1.9
275.09241	5.2
275.12012	0.5
281.04498	2.0
282.05258	1.2
283.06104	34.2
284.06454	2.0
293.04633	1.5
293.10266	6.9
294.10538	0.5
295.06073	1.0
311.05591	66.1
312.05911	4.1
314.04333	0.6
323.05566	2.6
341.06604	7.4
342.07047	0.7
431.09790	100.0
432.10135	10.0
449.14517	19.2
450.14639	1.8
465.10507	0.7
466.10898	1.0
467.15649	18.5
468.15839	1.5
487.25421	0.4
915.79041	0.4
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
68.99806	0.6
69.03455	1.1
71.01379	100.0
71.38564	0.7
71.38918	0.7
72.01730	1.3
72.99304	2.0
73.02934	5.4
75.00884	1.3
80.32282	0.5
81.03467	1.4
83.01390	2.4
85.02949	4.9
87.00877	5.1
89.02447	16.9
93.03425	0.6
95.01382	2.5
97.02938	3.8
97.06608	0.5
99.00881	2.6
99.92596	2.0
101.02435	15.2
107.05003	0.5
109.06593	4.2
111.00883	0.9
111.04528	1.1
113.02449	8.4
114.93421	0.6
116.92858	19.8
117.01966	1.2
117.92895	0.8
119.03504	4.1
124.01664	0.8
125.02450	7.4
125.09718	1.7
127.11291	2.1
131.03529	0.8
133.05098	0.6
135.08162	0.9
141.01915	0.9
143.03543	2.9
155.10739	1.1
157.61296	0.5
161.04535	3.1
163.11235	3.4
165.82390	0.6
169.04964	0.5
171.10263	56.3
172.10637	1.3
179.05624	4.0
181.08696	0.7
181.12363	1.6
199.09761	8.7
199.13431	0.8
201.11295	8.7
207.10257	14.1
209.11864	0.6
215.12840	0.8
217.07164	0.9
221.06694	2.0
221.11787	0.8
225.11295	10.3
235.08205	5.3
243.12383	0.9
253.09145	1.2
255.23277	62.5
256.23624	3.9
259.08218	0.8
263.07837	0.9
269.24875	1.4
277.21704	0.8
287.07782	1.8
305.08829	1.0
323.09979	0.9
379.12494	7.0
397.13480	43.4
398.13889	3.3
415.14578	9.5
458.47635	0.6
605.24677	0.9
623.26001	1.5
653.37750	1.4
835.47211	3.0
836.47485	0.8
861.48322	8.3
862.49323	3.0
879.49689	1.3
880.49042	0.7
897.50757	7.2
898.50909	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	897.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86333	0.7
66.21192	0.8
69.03461	2.4
70.09862	3.0
71.01380	100.0
71.46734	0.7
72.99310	2.7
73.02940	4.7
75.00872	1.1
75.49489	0.7
81.03441	0.9
83.01388	3.1
83.05035	1.1
85.02950	7.6
87.00884	6.0
89.02444	21.0
93.03479	0.9
95.01389	1.4
95.17863	0.6
97.02966	6.8
98.20651	0.8
99.00892	2.5
99.04575	0.7
99.66360	0.7
99.79100	0.8
101.02432	19.6
106.04779	0.7
106.79313	0.6
109.06574	9.1
111.04489	0.7
113.02445	10.1
115.04070	0.9
119.03484	5.7
125.02438	6.6
125.09734	3.0
127.11305	2.3
131.03529	1.0
135.60954	0.8
137.09732	0.9
141.01866	2.3
143.03514	3.0
153.09288	0.9
155.10733	1.6
161.04556	3.9
163.11288	6.4
167.27029	0.8
171.10262	52.0
172.10710	1.1
179.05615	4.1
181.08681	0.9
181.12352	2.3
189.09482	0.8
199.09763	14.0
199.13341	1.1
201.11298	15.2
207.10258	21.6
208.10753	0.8
209.11792	1.6
221.06689	2.0
225.11317	17.6
235.08200	7.6
243.12416	1.9
253.09337	1.1
255.23276	81.4
256.23581	4.3
269.24780	1.2
287.07797	2.1
305.08878	2.0
323.09784	1.2
379.12350	6.3
397.13480	41.6
398.13834	3.0
415.14517	10.9
416.15381	1.1
481.47943	0.9
579.22882	1.1
605.24719	2.2
635.36450	1.3
653.37445	2.1
660.33716	0.9
835.47192	3.8
861.48407	12.9
862.49774	4.0
879.49902	2.9
897.50732	13.8
898.50641	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	897.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87518	0.5
68.99831	0.7
69.03458	1.9
70.29156	1.8
70.45602	0.5
71.01380	100.0
72.01720	1.2
72.99308	1.6
73.02948	4.9
75.00865	1.6
77.24405	0.5
80.96487	0.6
81.03465	1.5
83.01389	2.4
85.02944	6.0
87.00878	6.0
89.02442	17.5
95.01397	2.5
97.02944	4.9
99.00862	2.7
100.38112	0.6
101.02441	15.7
103.71960	0.6
107.05096	0.6
109.02899	0.7
109.06605	4.3
111.00886	1.3
111.04529	0.9
113.02448	11.3
119.03494	4.1
119.92301	0.5
120.90631	0.6
123.08265	0.8
125.02438	7.3
125.09718	2.3
127.11310	2.1
131.03523	0.8
133.05046	0.6
135.08165	0.9
137.09712	1.0
139.60121	0.6
141.01987	1.2
143.03537	2.8
149.04611	0.8
155.10785	1.7
161.04553	4.0
163.11290	4.1
171.10265	48.3
172.10631	1.3
179.05591	4.2
181.08723	1.1
181.12344	1.4
189.09244	0.6
199.09760	10.8
199.13387	1.4
201.11311	11.9
202.11667	0.7
207.10265	20.8
208.10600	0.9
217.07237	1.1
221.06653	1.4
221.11848	0.7
225.11301	12.6
235.08217	6.1
243.12361	2.1
253.09309	1.1
255.23280	70.5
256.23611	5.1
263.07846	0.7
277.21918	0.9
287.07800	1.1
305.08871	1.9
305.45142	0.6
311.16812	1.3
323.09985	1.2
344.81723	0.6
379.12418	8.3
384.60468	0.5
397.13486	43.7
398.13916	2.4
415.14545	8.7
459.16742	0.5
579.23279	1.4
597.23792	1.0
605.24646	1.9
623.25458	1.7
639.28479	0.6
653.37665	1.9
835.46881	3.3
836.47076	0.9
861.48553	11.7
862.49188	3.3
879.50305	3.1
897.50385	11.8
898.50488	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	897.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	1.5
71.01385	31.8
71.54191	2.0
72.99302	2.7
73.02946	5.7
83.01391	3.5
85.02949	8.6
87.00874	13.8
89.01936	2.4
89.02450	30.7
95.01369	2.7
97.02955	3.1
99.00841	2.0
101.02438	28.7
113.02438	15.6
119.03513	6.1
125.02425	8.2
131.03485	2.1
131.08260	3.8
132.34229	1.3
143.03488	5.2
161.04529	6.5
173.10458	2.0
179.05617	13.7
221.06627	8.0
235.08241	1.9
246.55525	1.2
253.09171	2.3
277.21722	17.3
379.12390	5.5
397.13635	13.0
416.22888	1.2
559.18793	100.0
560.19196	9.3
577.19824	30.8
578.20166	2.9
720.65680	1.4
837.41351	8.5
838.40796	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	897.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	6.8
89.02424	5.9
92.09012	4.1
98.20647	14.4
99.00890	8.4
99.14495	4.1
100.46085	4.3
101.02430	6.5
119.31107	4.4
125.02410	4.1
127.75799	4.2
160.84329	4.7
181.12309	8.7
184.12282	3.9
207.10248	17.3
209.11919	5.5
225.11334	34.4
229.41547	6.5
229.43523	5.0
243.12241	8.3
251.59285	5.2
255.23180	23.2
256.23602	5.3
259.36914	3.6
276.85910	4.0
397.13138	7.4
605.24939	6.9
637.27289	4.8
678.52728	5.0
861.48438	75.1
862.48590	15.8
897.46307	100.0
898.46332	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	897.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02404	0.7
65.00336	0.8
66.99516	0.3
67.01878	1.2
71.02601	0.5
81.03450	0.4
83.01378	0.5
83.05006	0.5
83.85749	0.3
85.02943	1.8
87.00872	1.4
93.03454	6.4
103.84068	0.3
107.01391	1.5
108.01630	0.4
109.02965	0.9
111.04507	1.3
121.02989	0.3
127.04059	0.5
133.02939	3.2
134.03656	0.7
135.04556	0.6
137.02437	0.5
149.02400	0.9
151.00342	3.5
152.00671	0.6
155.03485	0.5
158.03662	0.5
159.04448	0.6
162.08200	0.3
172.05261	0.3
173.04539	13.8
173.05894	0.5
174.06801	0.9
175.04037	1.1
175.07620	0.6
187.03929	0.4
187.07588	3.0
191.05595	29.0
192.05901	0.8
199.03954	1.8
200.04707	0.6
201.02058	0.4
202.06329	0.4
203.10757	0.8
211.04004	0.7
213.09186	2.1
215.07095	0.9
217.05052	0.8
227.03441	0.9
228.04269	0.6
231.10187	1.9
239.03293	0.4
240.04156	0.4
241.04929	0.5
243.02870	0.7
255.02911	1.0
256.03793	2.2
257.04178	0.7
257.08167	3.8
258.04300	0.5
258.08484	0.4
269.13855	0.6
271.02335	0.5
275.09219	6.1
276.09473	0.4
284.03241	42.9
285.03970	100.0
286.04306	33.4
287.04590	14.0
287.15149	0.8
288.04813	0.5
297.04016	0.7
299.05457	0.5
300.02740	0.9
301.03473	0.8
327.05017	2.2
328.05460	0.8
354.09583	0.4
357.06198	0.5
417.12268	0.3
447.09290	89.9
448.09634	40.1
449.09772	28.5
449.14725	11.4
449.20142	1.7
450.09528	2.1
450.15027	1.2
463.08759	1.0
464.08963	0.8
465.09708	0.5
520.41266	0.3
667.76068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02385	0.8
65.00312	2.2
65.01329	0.4
83.01375	1.6
85.02950	0.9
91.01856	0.5
93.03432	2.5
98.20620	1.3
107.01386	4.9
108.02219	1.9
109.02974	3.0
121.02948	3.5
122.03259	0.9
125.02443	0.5
130.38269	0.5
133.02959	0.6
134.03716	0.4
135.00851	1.2
135.04482	0.4
148.01653	1.7
149.02269	0.6
149.56801	0.4
151.00363	17.0
152.00694	4.4
153.00821	1.5
159.04478	0.7
163.00377	5.1
164.00833	1.5
173.04568	3.9
173.05933	0.7
175.03989	0.5
178.99866	9.3
179.01399	0.3
180.00191	3.1
181.00417	0.9
181.94051	0.4
183.04416	0.5
185.05898	0.4
187.03993	1.0
188.04561	0.4
190.99908	0.4
191.05608	11.6
199.03830	0.6
201.05510	0.7
211.03946	1.5
212.04337	1.1
213.09178	1.6
215.03372	0.4
226.02744	1.2
227.03423	3.3
228.03757	1.5
229.04909	1.5
231.10286	1.6
239.03436	0.5
240.04234	0.5
243.02972	6.8
244.03284	3.9
245.04494	2.5
246.04836	1.1
254.02170	1.1
255.02972	23.2
256.00577	0.5
256.03317	11.6
257.03528	4.8
257.08066	2.3
271.02463	38.4
272.02838	21.3
272.05060	0.4
272.05933	0.6
273.03058	10.1
274.03989	1.3
275.09186	2.0
283.02505	2.1
284.02884	1.0
284.18036	0.4
285.03140	0.5
299.02075	1.0
300.02731	77.4
301.03314	93.4
302.03622	51.9
303.04016	17.2
304.04315	0.6
333.92303	0.5
381.11099	0.5
412.27075	0.5
431.13519	2.6
447.09296	100.0
448.09622	97.5
449.09805	82.8
450.10068	4.9
450.15350	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.418
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42775	2.0
69.03448	2.8
69.74097	9.0
71.01379	100.0
71.51542	1.9
73.02946	3.7
75.00830	1.8
75.31335	1.8
78.23158	2.1
81.03455	1.9
83.01377	2.7
83.05017	2.9
85.02939	5.7
87.00871	8.5
89.02450	18.0
93.03445	3.9
97.02941	9.7
99.00877	2.2
101.02436	14.7
105.14745	1.9
106.36423	1.9
109.06581	16.2
113.02419	6.6
119.03480	2.9
125.02422	8.2
139.04041	2.2
148.63072	2.0
161.04547	2.6
163.11240	7.6
171.10246	7.6
172.64774	1.7
173.04605	1.9
179.05582	4.7
181.12334	3.4
183.13890	10.2
191.05547	2.2
199.13475	2.7
201.11378	4.2
207.10249	40.4
208.10622	2.0
209.11777	10.8
211.13371	84.3
212.13693	2.7
215.12900	2.1
221.06517	2.4
225.11287	25.1
227.12814	9.7
235.08167	5.2
243.12309	3.6
250.06984	1.9
278.72186	1.8
287.07486	2.5
397.13480	30.6
401.23291	8.1
415.14407	11.4
419.24350	4.6
605.24341	4.6
623.25629	3.7
716.67346	1.9
771.38074	2.1
799.37335	16.1
800.38025	2.6
817.38733	25.7
818.38873	6.7
835.39722	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	895.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	0.7
68.12274	0.4
69.25697	3.5
71.01389	0.5
77.03975	0.5
80.74763	0.4
85.02937	0.8
93.03464	0.7
107.01402	2.0
108.02181	0.7
109.02959	1.2
117.03479	1.8
121.02946	1.4
126.00158	0.4
133.02939	0.5
135.00938	0.5
135.04510	1.0
139.11290	0.7
148.01704	1.0
149.02403	0.5
151.00365	6.4
161.02486	1.0
163.00316	1.2
163.04004	0.8
164.01144	0.6
167.03526	0.5
178.99866	2.9
183.10280	4.5
193.01363	0.6
199.03955	0.6
203.03603	0.5
211.03914	0.7
227.03488	1.3
243.02991	5.5
244.03506	0.6
245.04596	0.7
254.02180	1.3
255.02998	14.4
256.03372	1.0
268.03781	0.5
269.04431	0.6
271.02466	30.8
272.02844	2.5
273.03946	0.6
281.04669	0.8
283.02777	0.7
283.06088	11.8
284.06482	1.1
285.03979	0.4
293.04709	0.7
299.01846	0.6
300.02753	74.0
301.03461	28.2
302.03867	1.7
311.05597	22.1
312.05914	1.7
323.05609	1.0
341.06717	2.3
387.16589	3.0
431.09818	30.2
432.10175	2.8
463.08823	100.0
464.09079	9.3
465.10147	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00344	0.3
66.15672	0.2
85.02937	0.3
86.77318	0.2
93.03451	0.2
94.14452	0.2
98.20738	0.5
107.01391	0.6
109.02928	0.3
113.02557	0.3
127.10360	0.2
129.01930	0.2
132.36797	0.2
135.00922	0.3
151.00365	1.9
153.01991	0.4
163.00346	0.4
167.03491	0.2
169.06732	0.3
174.03195	0.3
178.99860	0.4
187.03989	0.3
198.56772	0.3
199.04277	0.2
211.03984	0.7
213.05417	0.3
215.03363	0.2
222.32741	0.2
227.03494	29.6
228.03903	1.4
229.05061	1.3
229.29207	0.3
239.03395	0.4
241.04924	0.3
241.34563	0.2
255.02986	41.3
256.03601	5.3
257.04480	0.7
271.02441	0.4
283.02402	0.3
284.03262	51.5
285.03973	14.0
285.17191	0.3
286.04437	0.9
300.02728	0.3
327.05051	0.9
433.07874	0.6
447.09305	100.0
448.09644	8.8
461.10822	0.6
477.10315	0.4
550.39514	0.2
632.16724	0.3
836.87427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.4
69.26614	0.6
69.27013	3.1
71.01379	5.4
72.23138	0.3
73.02943	2.3
83.01365	1.1
85.02946	3.9
87.00876	0.5
89.02425	0.8
95.01368	0.6
99.00879	0.5
101.01887	0.4
101.02446	4.5
106.88028	0.3
107.01419	0.4
113.02454	2.8
119.04967	0.3
124.90353	0.3
125.02491	0.4
125.44562	0.3
127.67870	0.3
127.87440	0.3
132.02147	0.5
134.29553	0.4
135.00887	0.6
151.00372	0.7
153.01997	0.4
159.03029	0.6
159.04440	0.6
160.82886	0.4
161.04608	2.0
161.05663	0.4
163.00291	0.7
165.01964	0.5
183.04411	0.4
185.06024	1.2
187.03929	1.2
191.37309	0.3
211.03937	1.1
213.05455	1.0
227.03484	23.2
228.03934	1.5
229.05070	5.0
238.12169	0.3
239.03485	0.8
240.04146	0.4
241.05113	0.5
243.02985	0.4
255.02975	36.6
256.03592	4.5
257.04459	3.6
260.76477	0.4
267.03030	0.6
281.04538	0.9
283.06015	0.6
284.03247	49.4
285.04010	53.0
286.04385	2.8
299.05692	0.7
311.05502	0.6
327.05032	0.5
375.23871	7.3
376.24170	0.9
417.24896	12.2
418.25409	1.4
419.22699	0.5
431.09811	100.0
432.10077	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	892.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	35.4
71.02001	54.2
101.02438	32.0
133.84152	22.0
171.10306	100.0
172.10551	26.0
278.22055	44.3
283.25952	21.2
380.12296	22.7
398.13605	25.8
399.13956	25.0
439.57745	21.6
478.65665	24.6
487.60278	23.1
625.44720	22.1
754.16534	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
62.47475	2.4
63.02391	6.4
65.00321	14.4
71.01390	5.4
71.54893	2.5
73.02941	5.2
81.87978	2.3
83.01372	9.0
85.02941	6.5
87.00861	2.2
89.02438	3.7
93.03430	4.5
95.01412	5.3
97.02963	2.5
101.02455	6.2
107.01392	25.0
109.02956	4.0
113.02444	3.6
115.72558	2.3
117.03472	7.4
121.02972	2.4
124.01649	11.5
125.02413	7.8
127.96520	2.2
130.32600	2.2
133.02875	2.4
137.02415	3.6
138.43962	2.1
144.53110	2.3
151.00365	78.2
151.03992	2.9
152.01144	26.0
153.01964	14.6
154.32541	1.9
163.00357	5.1
169.01390	8.9
178.99852	79.5
186.79138	2.5
191.05534	8.4
192.00618	3.9
193.01384	7.6
213.05658	2.5
227.03391	3.7
239.03542	3.7
240.04330	4.8
241.05008	13.8
255.02956	5.9
267.02957	10.0
268.03702	4.0
269.01184	3.0
269.04526	14.7
271.02368	7.2
271.99332	2.5
281.04526	5.7
282.05145	3.3
283.02563	2.8
283.06137	4.0
285.03818	4.8
293.04245	2.7
295.02600	3.7
297.03964	6.0
299.02032	4.4
300.02805	7.5
307.02545	2.6
309.04001	8.7
311.05621	3.2
341.07095	2.5
371.20590	3.9
403.04337	2.7
415.08127	4.6
419.03952	3.5
427.08286	2.7
429.06204	14.9
431.08627	5.9
431.22568	6.8
447.08847	7.7
449.04898	3.1
459.07190	9.6
461.05014	4.5
463.08820	3.4
499.78506	2.4
505.09933	5.1
585.16589	2.4
611.08221	17.2
630.43060	2.3
673.27966	2.9
731.12329	12.1
747.11871	6.4
773.13629	27.3
774.13586	4.1
803.14740	6.5
893.17712	100.0
894.17902	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	890.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
66.91867	0.3
71.53111	0.3
73.84436	0.3
123.00928	0.3
139.47841	0.2
178.57840	0.2
361.89377	0.2
372.26471	0.2
800.32257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.93133	0.2
64.05018	0.2
85.24358	0.1
87.56138	0.2
95.01361	0.2
98.57211	0.2
99.18252	0.2
123.00894	0.5
124.01707	0.2
147.17560	0.1
161.13385	0.2
282.12021	0.2
316.10837	0.2
371.11679	0.3
372.11835	0.4
373.12335	0.5
374.12149	0.2
375.12833	0.2
407.68021	0.2
417.54410	0.2
459.46277	0.2
487.59128	0.2
542.35059	0.2
610.23004	0.2
792.02777	0.2
799.32373	0.3
800.32660	0.8
856.58905	0.2
914.40582	0.2
916.80298	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.3
71.32024	0.3
73.02972	0.4
83.01378	0.3
83.05019	4.2
84.72643	0.2
85.02946	0.7
97.06582	3.4
112.25618	0.2
123.04527	0.3
123.08150	0.8
124.23809	0.2
125.02480	0.5
129.01981	0.3
137.02505	0.2
137.09700	1.8
139.11246	0.6
139.60127	0.2
149.09694	0.8
151.00423	0.2
151.11278	0.5
152.01138	0.3
163.00325	0.2
163.11284	5.7
164.11520	0.3
165.12801	1.1
167.03503	0.7
167.14427	0.8
177.12875	0.8
179.10826	0.5
179.14409	3.7
189.76978	0.2
191.01682	0.2
191.05733	0.3
194.06197	0.3
195.13893	18.0
196.14261	0.6
197.15457	3.0
199.03969	1.0
215.03427	0.3
223.13374	15.7
224.13733	0.8
227.03476	0.9
239.16508	0.7
241.14439	100.0
242.14786	5.2
243.03008	2.3
244.03476	0.2
255.03006	1.6
255.05333	0.3
271.02426	4.2
272.03052	0.5
283.15491	57.7
284.12714	0.3
284.15823	4.2
299.01938	9.1
300.02689	3.0
301.03201	0.3
311.07767	0.6
314.04291	9.0
315.01575	0.4
315.05032	6.0
316.05463	0.5
519.11414	24.4
520.11816	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	889.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	1.6
69.03454	0.7
70.40885	0.5
70.65032	1.3
70.65372	0.6
71.01381	16.1
72.99309	1.7
73.02959	2.9
75.00893	0.5
75.01686	0.5
83.01384	1.8
83.05018	0.8
85.02943	4.3
87.00890	4.3
89.02443	14.2
95.01397	1.7
97.02943	3.3
99.00879	0.8
101.02441	13.4
110.37524	0.5
113.02446	8.1
119.03476	3.4
125.02441	6.0
125.09740	0.9
127.11266	2.1
141.01900	0.7
143.03505	2.3
149.04546	0.6
153.09238	0.6
156.42795	0.5
161.04556	5.0
171.10263	100.0
172.10577	2.8
179.05646	3.6
194.04376	0.5
199.06111	0.8
209.11827	2.0
213.35394	0.5
217.07144	1.1
221.06584	1.3
235.08199	6.5
253.09219	0.7
259.08093	1.3
277.21704	68.0
278.22040	4.5
287.07703	2.8
303.97818	0.6
305.08710	2.2
319.22711	1.0
323.09766	1.3
361.11383	0.8
379.12451	18.5
380.12955	1.5
393.90433	0.5
397.13480	47.8
398.13916	2.3
415.14551	8.4
511.10684	0.7
551.23083	4.1
569.24255	3.1
657.34485	2.3
675.36096	4.2
767.25751	0.6
889.46552	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	4.1
70.92878	3.4
71.01382	100.0
71.14693	1.6
72.01713	1.9
72.99305	5.4
73.02946	41.6
75.00864	2.5
75.19475	1.6
79.95734	1.7
81.03453	3.3
83.01379	14.2
85.02954	45.1
87.00883	6.2
89.02448	48.1
90.02808	1.9
93.03460	2.3
95.01399	9.9
95.04983	2.2
96.96022	4.3
97.02972	4.8
99.00884	7.5
101.02444	63.4
103.04001	3.9
108.02222	2.2
113.02454	44.9
113.03262	2.5
119.03487	22.3
119.04993	11.0
123.04508	5.4
125.02448	17.9
129.01944	4.7
131.03491	4.5
134.03754	2.1
135.04546	4.9
137.02487	3.6
138.62849	1.7
143.03465	6.0
145.02933	6.0
148.05319	4.3
149.04570	5.2
159.02974	3.2
161.02486	1.8
161.04547	25.4
163.04007	6.1
163.06122	7.7
163.07503	2.1
164.04811	2.2
165.09183	15.4
167.03491	14.8
167.10739	2.8
169.12341	6.1
179.03532	5.3
179.05629	4.9
180.04173	2.4
181.05093	3.8
182.05400	1.9
191.05617	3.5
193.05067	3.5
203.05641	3.8
205.05132	2.5
209.04590	14.9
239.05562	2.4
244.48444	2.0
247.08269	2.7
251.05644	3.1
256.00748	1.7
258.61450	1.7
281.06760	2.7
285.50116	1.7
307.10175	9.7
311.07779	2.0
313.16571	24.8
314.16946	3.5
331.17639	67.2
332.18085	4.5
371.09726	4.1
373.18668	95.9
374.19040	8.1
387.16620	25.2
439.15079	6.9
460.21240	1.7
469.16592	4.8
471.13019	4.1
491.14227	2.2
517.93811	2.4
559.19073	3.8
700.99884	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	889.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	1.0
62.12757	0.4
65.32919	0.4
69.03465	1.0
70.71606	0.6
70.71941	0.8
71.01379	14.5
72.99319	1.1
73.02953	2.1
81.03404	0.5
83.01368	2.3
85.02944	5.3
87.00874	4.6
89.02442	12.9
90.21700	0.4
95.01398	1.3
97.02934	3.1
99.00898	1.0
101.02431	11.8
111.04527	0.8
113.02466	6.0
116.92870	1.8
119.03486	4.2
125.02462	5.7
125.09741	0.9
127.11301	2.1
131.03537	0.6
141.01964	0.4
141.78038	0.5
143.03491	2.4
149.04475	0.4
153.09203	0.7
161.04562	4.0
165.97017	0.4
167.03441	0.5
171.10263	100.0
172.10611	3.1
179.05634	3.3
185.11887	0.8
199.06085	0.7
209.11816	1.3
213.11403	0.7
217.07161	1.4
221.06624	1.4
235.08237	4.8
250.42595	0.4
253.09235	0.9
259.08142	1.4
277.21704	59.9
278.22046	3.9
281.25021	0.5
287.07941	2.1
301.09216	0.6
305.08722	2.9
323.09845	1.8
358.84714	0.5
379.12454	17.8
380.12830	1.2
397.13470	43.1
398.13754	2.8
415.14539	8.8
551.23419	7.1
569.24432	5.3
570.24573	0.8
657.35071	2.5
675.35999	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	887.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	3.3
71.01385	11.4
71.11148	1.5
71.11483	1.4
73.02938	2.4
79.26681	1.3
83.01399	2.3
85.02943	7.1
86.00108	1.3
87.00871	1.7
95.01377	1.6
96.96016	1.7
97.02982	2.0
99.00884	1.8
101.02441	4.9
113.02454	4.5
116.92887	1.7
124.01662	1.7
125.02427	3.2
126.54794	1.1
135.08134	2.8
143.03506	1.6
150.06850	4.9
163.07645	100.0
164.08026	3.1
207.11467	1.3
216.40443	1.1
216.59464	1.1
233.42821	1.0
416.41342	1.2
462.33313	1.3
477.35837	15.9
478.36072	1.9
621.40033	51.7
622.40503	8.7
639.41174	44.6
640.41168	6.4
681.42188	35.3
682.42627	6.2
783.45435	8.7
801.46729	2.6
843.47620	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	889.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98849	0.4
69.03427	0.5
71.01376	11.5
73.02946	4.4
74.20286	0.4
83.01379	2.3
85.02956	6.4
87.00873	0.9
89.02435	1.4
89.99580	0.4
93.03484	0.8
95.01368	1.3
99.00878	1.4
101.02442	9.5
104.24128	0.4
113.02454	4.2
117.03495	0.7
125.02405	0.9
135.00854	0.7
136.01472	0.4
143.03458	0.6
151.00360	1.0
159.02928	0.8
159.04485	0.5
161.04575	2.9
163.00342	1.9
164.04825	0.7
169.06598	0.6
171.04425	0.5
179.07146	1.0
185.06006	0.9
187.03983	1.3
191.05675	1.9
197.06079	0.6
199.04059	0.5
201.05391	0.5
209.15419	0.7
211.04033	1.0
213.05521	0.9
227.03487	27.8
228.03934	2.1
229.05070	5.5
229.43683	0.6
239.03485	1.1
241.05078	1.1
255.02975	43.4
256.03589	5.3
257.04559	2.9
281.04514	1.0
282.05133	0.5
283.06027	0.7
284.03253	49.4
285.04013	55.2
286.04410	3.1
299.05688	0.7
311.05646	1.0
353.19739	1.1
371.20718	11.9
372.20886	1.0
400.10571	0.5
413.21799	19.4
414.21918	2.5
431.09799	100.0
432.10147	8.9
535.96570	0.5
793.44336	0.5
802.98914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	3.7
68.99807	2.2
71.01981	2.4
71.02323	4.0
73.69318	2.4
75.20255	2.5
82.11677	2.1
95.01385	18.6
108.02176	5.7
109.02959	7.8
111.00886	4.0
116.92868	2.4
121.02975	4.3
122.03739	3.8
123.00887	83.3
123.01763	4.4
123.04535	4.3
124.01702	31.0
125.02406	4.5
131.27467	2.3
133.02966	3.9
135.00902	2.3
135.04532	6.8
136.01659	17.1
137.02466	8.9
137.06163	2.5
138.03188	3.8
149.02452	7.1
150.03206	2.4
151.04030	22.3
161.02415	4.5
162.03307	3.0
163.04092	3.9
164.66013	2.0
175.04054	2.1
177.01950	6.6
177.05603	9.0
178.02701	2.9
179.03552	3.4
180.92505	2.2
187.03990	2.9
193.05077	2.7
195.13838	2.0
205.05058	2.6
209.11897	2.1
313.10516	2.2
342.11005	4.1
343.11917	4.7
356.12787	2.5
371.11359	81.2
371.16174	4.1
372.12018	26.6
373.12869	11.7
401.12399	10.7
421.38257	2.5
425.19553	13.6
548.20685	4.8
728.24597	28.7
729.25366	5.3
797.31812	100.0
798.32214	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	887.392
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03503	0.2
69.18599	0.5
69.19007	1.6
71.01383	13.5
72.99295	0.9
73.02622	0.2
73.02953	2.5
78.96300	0.2
83.01387	2.2
83.05053	0.2
85.02481	0.2
85.02951	5.5
87.00861	0.6
89.02445	8.7
90.14670	0.2
93.03462	0.4
95.01389	1.5
95.01905	0.2
95.02185	0.2
95.05003	0.3
97.93037	0.2
99.00888	1.1
101.02447	10.0
111.00804	0.2
111.04517	0.6
113.01719	0.4
113.02457	5.7
119.03513	3.6
119.62798	0.2
125.02437	0.4
129.02005	0.3
131.03500	0.3
135.04465	0.4
143.03450	0.3
148.15588	0.2
149.04495	0.4
161.04543	0.4
171.11824	0.4
173.04556	0.3
176.11696	0.2
179.03569	0.4
179.05528	0.3
189.12799	0.7
191.05627	1.0
193.05107	0.4
195.06650	0.4
219.13884	0.5
237.15005	0.4
289.54187	0.2
308.64780	0.2
443.19217	100.0
444.19559	8.4
444.24298	0.1
533.15198	0.2
630.54620	0.2
716.40338	0.2
748.61523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22293	3.3
69.31105	29.0
70.96121	3.2
93.03452	3.0
95.01396	18.5
108.02154	8.8
109.02922	11.2
111.00875	6.5
121.02953	6.6
122.03707	6.8
123.00890	77.9
123.04500	4.5
124.01698	29.9
133.02953	4.5
135.04488	5.8
136.01582	19.0
137.02486	8.3
138.03212	6.9
138.43973	3.1
148.29941	3.7
149.02432	6.5
150.03180	3.6
151.03996	16.1
177.01913	8.2
177.05533	8.6
178.02716	5.5
179.46930	3.6
193.05013	5.9
205.04678	3.4
369.85068	4.3
371.11368	86.5
372.12082	42.7
373.12775	17.7
401.12381	7.7
425.19537	9.0
523.09595	4.1
676.02441	3.8
728.24634	22.5
797.31793	100.0
798.32574	19.4
899.69287	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	885.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	1.3
66.14598	0.2
68.57657	0.2
69.03447	0.8
71.01381	13.3
72.99306	1.4
73.02949	2.1
80.02686	1.0
81.03469	2.0
82.98684	0.2
83.01392	1.5
83.05019	5.0
84.02159	0.9
85.02953	2.7
87.00879	3.6
89.02443	11.6
91.03979	0.3
95.01401	1.0
95.05047	0.5
97.02946	2.0
99.00869	0.7
99.93390	0.2
101.02444	9.7
109.02950	0.5
109.06593	0.4
111.00842	0.3
111.04499	0.4
113.02452	6.4
115.03960	0.4
116.92861	0.4
119.03503	2.9
125.02447	5.2
125.06055	0.6
131.03499	0.6
133.05057	0.5
135.08154	0.7
139.04013	0.6
141.27844	0.2
143.03514	2.4
149.04517	0.5
161.04547	3.2
163.11285	3.6
165.12840	2.2
167.03563	0.3
179.05605	3.5
181.12366	0.4
191.10747	1.0
199.06183	0.4
199.13403	0.8
209.11813	100.0
210.12137	3.8
217.07072	0.7
221.06642	1.4
227.12880	12.5
228.13203	0.7
235.08220	5.3
251.12820	0.6
253.09235	0.8
259.08304	0.4
263.07690	0.4
277.21707	42.2
278.22049	3.2
287.07788	1.6
301.09363	0.4
305.08813	2.1
323.09732	1.1
379.12433	6.5
380.12827	0.6
397.13483	30.6
398.13831	2.3
413.17960	0.4
415.14624	7.4
416.14944	0.7
445.24112	0.4
532.95349	0.3
589.25031	1.0
607.26160	1.7
657.34845	0.3
675.35846	0.4
723.39557	0.3
885.48065	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00297	0.6
70.55276	1.3
70.55666	1.3
71.01385	2.7
73.02946	2.3
76.71447	0.6
83.05011	0.8
85.02985	1.3
87.00874	1.6
89.02441	13.6
91.05556	0.6
93.03432	0.8
101.02425	0.8
107.01379	1.5
108.02168	1.0
109.02949	15.6
111.00896	1.2
119.01436	0.6
121.02965	2.5
121.06594	1.7
122.03715	1.8
131.03545	3.8
133.37471	0.6
135.04518	0.7
137.02446	1.1
145.02933	1.3
146.03696	2.9
147.04465	1.1
148.01759	0.9
148.05299	1.6
149.04547	56.1
150.04909	1.6
151.00369	6.6
158.03735	9.0
159.04523	11.0
163.00317	1.4
163.04008	0.7
167.15425	0.6
172.05278	3.8
172.12411	0.6
173.06050	8.3
174.03214	0.9
174.06888	2.9
175.07620	4.1
178.99841	3.4
183.04491	0.8
184.05333	2.8
187.04089	7.5
187.07635	63.8
188.08054	3.9
191.05609	1.0
193.01233	0.6
197.06036	4.1
198.06764	1.7
200.04726	0.9
201.05608	6.2
201.09129	1.5
202.06349	31.4
202.09988	1.6
203.03500	0.9
203.06949	1.9
203.10780	9.4
213.09207	25.5
214.09596	1.2
215.07091	5.5
216.07751	1.6
227.03581	1.6
229.08707	0.7
231.10248	75.7
232.10591	4.4
243.02907	3.6
245.04552	0.8
245.11798	1.0
248.10431	0.8
254.02161	1.6
255.02977	9.5
256.03549	1.1
257.08163	2.3
263.12885	5.2
270.99722	1.1
271.02472	16.9
272.02945	1.8
273.04071	0.7
275.09238	100.0
276.09625	6.2
289.10825	2.2
300.02731	32.9
301.03491	26.9
302.03885	1.1
307.11847	20.5
308.12131	1.6
318.36105	0.6
407.13440	89.3
408.13736	7.9
439.16061	41.5
440.16394	3.9
447.09305	49.2
448.09653	4.8
498.24765	0.6
680.24615	0.7
918.09546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77995	0.1
63.83416	0.1
65.00335	0.3
66.64461	0.1
70.64603	0.2
70.64919	0.1
70.87331	0.1
71.01372	0.2
73.02946	0.1
81.91077	0.1
85.02960	0.1
89.02453	0.3
93.03473	0.1
95.01410	0.5
97.02959	0.2
98.19917	0.1
105.03468	0.2
121.02977	0.1
123.00907	0.2
124.01672	0.7
125.02470	0.1
134.03700	0.1
137.02441	0.3
137.06087	0.2
138.03220	3.7
139.04027	2.0
149.04541	0.1
149.99646	0.1
151.00418	0.2
163.03976	0.1
165.01910	1.2
165.05667	0.1
166.02708	36.0
167.03040	1.1
179.03441	0.1
181.05060	100.0
182.05376	3.5
191.05580	0.1
198.01675	0.4
223.06213	0.2
233.06622	0.2
293.08685	0.6
429.17200	0.1
552.86420	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	0.7
68.99805	0.3
69.03447	0.9
69.21600	0.6
69.22015	2.0
71.01380	16.0
71.04981	0.3
72.01712	0.3
72.99296	1.1
73.02945	2.2
75.00882	0.3
78.95889	0.3
80.02676	1.0
81.03470	2.1
82.51836	0.3
83.01375	1.9
83.04562	0.5
83.05025	4.8
84.02164	0.6
85.02942	4.1
87.00867	3.4
89.02443	11.8
93.03470	0.3
95.01372	1.1
95.05018	0.6
95.17426	0.3
97.02943	2.6
99.00854	0.8
101.02439	11.6
109.06586	0.5
111.04541	0.3
113.01712	0.5
113.02451	6.2
115.04014	0.4
119.03496	3.2
121.02954	0.4
123.04464	0.5
125.02451	5.1
125.06033	0.3
131.03476	0.9
133.05052	0.4
135.08183	0.6
139.03978	0.6
141.02003	0.4
143.03516	2.4
147.11838	0.4
149.04585	0.5
161.04526	2.9
163.11275	4.0
164.11586	0.3
165.12866	2.3
166.13194	0.3
167.03508	0.5
171.03053	0.3
178.20569	0.3
179.05603	3.6
181.12395	0.6
191.10826	0.8
199.06154	0.5
199.13368	0.5
207.10251	0.3
209.11812	100.0
210.12137	3.9
217.07143	0.8
221.06746	1.6
225.00871	0.3
227.12872	12.2
228.13232	0.8
235.08217	5.0
251.12901	0.6
253.09264	0.9
259.08298	0.5
263.07703	0.7
277.21701	54.6
278.22028	4.2
287.07663	1.4
303.63440	0.3
305.08810	1.5
323.09882	0.8
379.08017	0.5
379.12466	6.4
393.49155	0.3
397.13477	35.8
398.13892	2.1
415.14545	8.8
416.14761	0.5
432.86450	0.3
433.41031	0.3
445.23688	1.5
589.24780	0.5
607.26062	1.6
625.27521	0.4
659.09930	0.3
675.35358	0.4
728.31537	0.3
885.47516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02401	0.6
65.00323	0.7
69.03472	0.4
69.31796	0.3
69.92749	0.9
69.93145	0.6
71.01373	1.2
73.02950	1.0
76.18008	0.3
83.01386	1.0
85.02927	0.5
86.54462	0.3
89.02453	0.3
90.03555	0.3
101.02434	1.1
107.01411	2.3
108.02178	1.0
109.02951	1.3
109.52374	0.3
113.02431	0.4
113.09753	0.5
119.01350	0.3
121.02970	2.2
125.02445	0.4
135.00899	0.6
148.01624	0.5
149.02504	0.3
150.99191	0.6
151.00375	10.0
161.04539	0.8
163.00395	2.4
164.01138	0.4
169.01453	0.3
178.99869	4.9
181.80373	0.3
183.04504	0.5
185.11835	15.4
186.12123	0.4
192.00687	0.5
199.13390	1.2
201.05574	0.5
209.04555	0.6
211.03963	1.0
215.03346	0.4
226.02684	0.6
227.03494	1.8
227.12895	1.2
229.05048	1.0
243.03003	4.3
244.03459	0.5
245.04494	1.8
254.02248	0.9
255.02991	14.9
256.03506	1.4
257.04404	0.4
271.02481	27.7
272.02902	2.5
273.03958	0.9
283.02362	1.8
300.02756	60.5
301.03513	46.9
302.03839	3.3
389.18042	1.1
433.07825	1.3
447.09332	100.0
448.09674	10.7
769.20563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	0.5
65.00337	0.2
69.17894	1.9
71.01405	0.4
73.02939	0.3
83.01397	0.2
84.66590	0.2
85.02965	0.9
89.02473	0.3
93.03463	0.2
101.02502	0.2
102.68874	0.2
103.08450	0.2
105.03343	0.2
107.05080	0.2
123.04498	0.3
125.02461	0.4
129.02039	0.2
135.04538	7.4
137.02466	0.4
149.06087	0.3
154.39975	0.2
163.04016	66.3
164.04318	2.7
167.03506	0.2
177.02136	0.2
177.05544	0.4
178.06358	59.6
179.06705	2.9
185.09857	0.2
191.05638	0.4
193.08702	100.0
194.09041	4.3
195.23157	0.2
223.37416	0.3
303.88290	0.2
310.20499	0.2
397.15146	0.3
561.30353	0.2
649.98505	0.3
743.55420	0.2
883.30438	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	883.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	10.5
69.03449	1.8
71.01385	43.0
71.55045	1.4
73.02946	4.7
79.05521	5.4
80.02670	2.0
83.01391	6.0
83.05009	3.9
85.02955	8.3
87.00874	2.7
88.98759	1.7
89.02448	9.5
93.03443	4.4
95.01358	1.5
95.05023	4.7
97.02954	3.0
99.00885	3.0
99.04534	1.3
101.02428	10.5
105.07150	1.4
107.05028	9.5
109.02935	1.8
109.06589	4.9
112.86194	1.2
113.02446	6.5
119.03516	1.7
121.02979	6.9
121.06541	1.5
122.79182	1.2
123.04527	2.8
125.02420	3.8
125.06065	2.9
125.09734	1.9
131.03503	3.4
135.04549	3.5
137.02460	2.6
143.08664	1.4
145.02946	2.6
147.04536	1.6
149.02446	1.6
149.04555	3.1
149.06046	3.9
150.03197	2.1
151.04062	2.4
157.06511	1.5
159.11816	2.2
161.04544	3.5
161.09724	3.2
161.13368	27.1
162.13580	1.6
163.03999	2.0
163.07637	1.5
163.11275	5.7
165.05521	3.1
165.12746	1.8
169.10201	2.2
171.08176	1.2
171.10219	4.2
173.05934	1.5
175.03986	10.6
179.05559	2.0
181.12393	1.5
187.07623	1.3
187.11281	16.4
190.06331	2.3
191.05595	14.8
192.06049	1.5
203.07097	1.4
205.12331	53.9
206.12639	2.8
207.10242	13.7
209.11818	30.3
210.12268	2.0
213.09050	1.6
215.07126	5.3
221.06584	1.8
222.05284	3.4
223.07632	2.0
225.11351	11.0
227.10782	1.6
227.12827	4.4
229.12274	3.5
231.10197	7.3
233.06117	1.4
235.07710	3.3
239.07214	2.4
245.88445	1.2
249.05684	1.3
249.11264	8.7
251.07269	2.7
253.08676	4.2
255.10214	2.5
263.07047	5.2
267.06543	2.5
268.07108	2.0
269.08157	7.4
271.13312	1.8
273.11243	3.6
278.09366	1.4
279.06561	8.1
280.07492	1.5
281.08163	16.1
283.09671	2.9
291.06641	3.6
291.12256	1.8
293.08200	3.7
294.09091	6.2
295.09467	2.5
296.10474	2.7
297.07697	35.8
297.11230	3.8
298.08023	2.3
308.07150	1.3
308.10437	5.2
309.07639	61.1
309.11276	15.2
310.08133	5.7
311.09186	2.2
312.10062	28.8
313.10553	4.4
315.12378	8.2
323.09219	14.9
324.09985	38.7
325.10422	5.5
327.12357	100.0
328.12753	6.7
333.13165	1.7
339.12369	80.1
340.12640	7.5
349.16425	1.4
357.13263	1.6
379.12497	1.5
393.15570	52.9
394.15588	3.9
396.72220	1.2
397.13580	10.1
399.21613	1.8
415.14722	3.0
525.19519	3.5
751.29651	31.4
752.31140	5.9
833.37946	4.9
834.39410	2.0
851.39136	1.6
883.33771	35.2
884.34406	6.1
893.41034	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	881.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00328	0.4
70.35696	0.2
73.02940	0.3
77.03975	0.3
79.01893	0.4
83.01387	0.7
85.02907	0.5
89.02461	0.3
93.03452	0.5
97.02982	0.3
101.02462	0.4
105.03455	0.4
107.01381	0.6
109.02937	2.0
119.05032	0.9
121.02943	1.2
125.02459	1.5
133.02953	10.9
135.00983	0.3
135.04539	1.2
137.02428	0.7
147.04507	1.0
149.02449	1.4
151.00359	0.4
151.03995	0.6
161.02406	1.5
163.00348	1.2
163.04013	2.8
165.01875	1.6
173.02422	0.6
175.03998	2.8
177.01932	1.1
179.03372	0.3
185.05922	0.3
191.03484	1.8
191.05568	0.7
193.01480	1.4
198.03159	0.3
199.04030	1.3
201.01967	0.8
203.03493	0.3
209.06085	0.4
211.03987	0.6
211.07607	0.3
213.05544	1.0
217.05157	0.3
225.05626	0.6
227.03300	0.3
227.06966	0.3
229.05046	0.5
231.06541	0.3
239.03444	0.4
240.04315	0.6
241.05075	0.6
243.02933	0.8
253.05095	1.2
254.66116	0.3
255.02956	0.8
255.06604	0.7
256.03885	0.5
257.04575	0.3
259.06030	0.4
267.03110	0.3
269.04523	0.9
270.05292	0.3
271.06088	0.5
281.04492	0.3
284.03247	7.9
285.04025	7.3
286.04361	0.6
297.04041	13.9
298.04776	8.2
299.05585	15.6
300.06067	1.3
309.04077	1.0
311.05600	2.5
324.02789	0.5
325.03384	1.0
327.05081	93.8
328.05417	6.6
328.09119	0.5
339.05118	3.1
341.06442	0.7
357.06146	23.6
358.06387	1.9
369.06183	2.1
393.06140	0.8
411.07355	0.4
447.09299	100.0
448.09659	9.4
485.51791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	4.0
69.03458	1.1
71.01373	1.8
77.03976	0.9
79.01908	0.5
81.03455	0.9
83.01384	0.6
83.05024	1.5
85.02948	6.2
87.00879	3.8
93.03457	28.4
94.03787	0.8
97.02937	0.5
99.00895	0.6
99.04510	1.0
109.02948	1.2
111.04520	4.2
117.03461	5.6
119.05042	0.9
121.02951	1.7
125.02435	0.4
127.04013	1.8
127.83865	0.4
134.03676	0.5
135.04515	2.0
137.02454	1.9
149.02467	1.2
155.03506	1.8
158.03720	1.6
159.04494	3.9
161.02480	2.7
163.03989	2.5
165.01941	0.5
169.06659	0.4
171.02982	0.7
172.05267	1.0
173.04550	37.5
173.05952	2.1
174.04936	0.6
174.06807	1.2
175.07657	1.1
183.04494	1.3
187.03969	0.7
187.07640	10.1
188.08003	0.9
191.05600	100.0
192.05891	2.7
196.05234	0.5
199.03992	0.7
200.04800	0.9
201.05560	0.5
202.06314	2.0
203.03418	0.7
203.10771	1.8
211.07693	0.7
213.05664	0.8
213.09186	4.3
215.07068	1.8
216.07442	0.4
224.04900	0.6
227.03500	0.4
229.08708	1.0
231.10251	4.9
239.07187	1.0
257.08185	13.0
258.08545	0.9
268.03769	1.8
269.04550	1.6
275.06186	0.8
275.09232	15.6
276.09656	1.7
281.04498	2.3
282.05273	1.3
283.06110	35.9
284.06491	2.8
293.04572	1.7
295.06027	0.6
309.03952	0.5
311.05597	69.9
312.05881	4.9
314.04111	0.5
323.05527	2.4
327.05273	0.5
341.06635	7.1
418.95273	0.5
431.09787	90.8
432.10089	10.1
449.14526	56.8
450.14841	5.5
896.29694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	0.4
69.35556	0.9
69.35984	1.2
71.01381	0.7
73.02940	0.5
81.90440	0.2
83.01406	0.4
84.35913	0.2
85.02977	0.6
85.03532	0.2
89.02450	0.3
93.03416	0.3
101.02470	0.3
106.91886	0.2
107.01389	0.9
108.02188	0.9
109.02949	0.6
113.02448	0.4
116.32545	0.3
121.02987	0.6
125.02434	0.9
135.00899	0.7
135.06714	0.3
143.03508	0.3
148.01672	0.7
151.00368	4.9
152.01166	0.4
159.04552	0.3
161.04631	0.3
163.00356	1.3
167.03423	0.3
178.99826	2.6
185.11829	0.5
191.05586	0.4
211.04060	0.8
215.03496	0.6
216.04349	0.3
226.02760	0.7
227.03487	4.6
227.12859	0.4
228.03864	0.5
229.05043	0.3
243.02997	5.7
243.16011	0.7
245.04570	0.5
254.02243	1.2
255.02982	19.9
256.03497	1.6
257.04440	0.3
271.02466	31.9
272.02927	2.9
283.02292	0.4
284.03244	5.3
285.04010	1.9
285.16928	0.3
299.02011	0.8
300.02744	83.8
301.03418	20.8
302.03903	1.1
331.17432	0.4
373.18646	0.5
389.18073	0.5
433.07733	100.0
434.08057	8.7
447.09351	9.7
448.09622	0.9
463.08844	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	879.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	5.3
63.96234	2.9
71.01370	9.7
73.02948	1.6
78.98596	10.3
79.95744	21.5
80.96518	98.5
85.02934	3.3
86.13627	1.3
87.00883	3.3
88.46901	1.5
94.98083	19.8
96.96033	2.9
101.02429	2.9
106.98076	4.8
122.97568	3.4
125.02452	3.6
134.97577	5.0
136.99091	2.1
148.99153	7.6
152.98618	7.0
164.98619	12.4
206.99635	4.3
225.00740	22.0
255.23157	2.7
325.18637	1.9
537.26331	1.6
548.01147	1.7
879.51300	100.0
880.51581	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	2.3
69.84931	0.5
71.01379	17.4
71.05004	2.4
71.43069	0.8
72.99303	1.5
73.02952	3.3
80.83189	0.6
80.96505	0.9
83.01382	1.8
85.02954	4.1
87.00854	3.1
89.02439	12.2
95.01372	1.6
95.05037	0.8
97.02302	0.8
97.02934	5.2
97.06578	1.4
99.00882	11.8
101.02453	10.6
109.06572	1.4
111.00901	0.7
113.02435	5.6
119.03490	2.5
123.08176	0.9
125.02446	3.6
125.09704	5.6
132.93860	0.6
135.08128	1.1
142.02660	1.2
143.03473	0.8
150.12744	0.6
161.04535	1.5
161.09718	0.9
163.11290	7.5
171.10271	8.0
179.05621	1.2
181.12346	9.9
185.04376	0.7
197.11737	1.4
199.09770	0.6
199.13376	9.4
201.11345	1.5
207.10248	25.8
208.10542	1.0
217.07021	0.5
221.06720	1.5
225.11305	35.0
226.11609	2.1
235.08185	2.4
243.12326	7.3
253.09344	1.3
255.23279	55.4
256.23639	3.6
279.23053	0.7
291.19669	2.9
309.20572	1.3
328.60995	0.6
379.12296	2.3
397.13483	10.5
398.13855	0.8
415.14334	1.7
456.11365	0.6
605.24310	1.9
623.25824	1.4
653.37524	0.8
765.40643	0.8
861.48419	13.6
862.48810	2.5
879.49561	100.0
880.49774	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	879.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02387	0.4
63.30118	0.2
65.00321	0.5
77.03998	0.3
83.01379	0.7
89.02365	0.3
90.48266	0.2
93.03454	0.6
96.19759	0.3
106.06635	0.2
107.01361	1.2
117.03428	1.4
121.02948	0.6
125.02443	0.5
133.02945	2.5
134.03752	0.6
135.04471	0.4
149.02435	0.9
149.99512	0.3
151.00369	2.7
159.04451	0.4
161.02444	0.6
163.04039	0.5
165.01979	0.3
173.04546	0.4
175.04005	1.2
181.05070	0.2
182.93327	0.3
183.04457	0.2
191.05493	1.3
193.01485	0.3
197.06133	0.3
199.04002	1.0
200.04572	0.3
201.01944	0.4
211.03839	0.4
213.05490	0.4
215.06992	0.3
217.05043	0.5
225.38365	0.3
227.03505	0.7
239.03456	0.4
239.07164	0.5
241.05104	0.6
243.03008	0.4
255.03111	0.3
256.03809	1.8
267.03003	0.3
268.03821	0.6
269.04541	0.9
271.02432	0.4
281.04599	1.0
282.05200	0.6
283.02731	0.3
283.06088	8.9
284.03253	36.5
285.04016	80.6
286.04376	5.3
287.05499	0.3
293.04663	0.3
293.82172	0.3
295.06198	0.4
297.04153	0.3
311.05588	15.9
312.05966	1.3
323.05569	0.8
327.05072	1.3
341.06500	2.7
431.09796	20.0
432.10303	2.2
447.09283	100.0
448.09613	10.6
448.15924	0.4
449.09323	0.4
449.14911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86996	2.4
71.01410	5.4
73.02939	1.8
75.96685	0.8
83.01382	1.8
85.02941	1.6
87.00904	3.0
89.02451	3.9
90.36812	1.0
93.03455	1.3
99.00715	0.9
101.02441	4.1
102.98611	2.0
107.01399	1.8
107.05058	3.1
107.79658	0.8
109.02992	1.7
111.12541	0.9
113.02468	2.8
121.02932	1.7
125.02467	1.4
132.50505	1.1
135.00870	1.0
135.04521	1.7
147.13666	1.0
151.00359	12.2
160.49121	1.0
161.09711	6.8
161.13356	4.0
163.00409	2.5
163.11325	1.2
178.99841	7.9
179.05605	1.5
187.11273	9.6
189.09155	2.4
203.10725	1.4
205.12196	2.4
207.10220	2.6
211.04044	2.0
223.13388	34.8
224.13710	1.4
226.02795	1.5
227.03514	2.2
243.02974	5.1
245.04608	2.8
249.11317	4.2
254.02336	1.1
255.02983	19.3
256.03470	1.9
267.12369	100.0
268.12680	6.8
271.02454	34.9
272.03040	3.2
277.73730	1.2
283.02371	2.6
300.02744	64.8
301.03503	52.5
302.03799	4.1
309.13397	3.1
317.36121	1.2
369.15417	2.6
385.22385	2.3
386.78110	1.3
389.86548	1.0
429.09036	1.3
429.17630	70.7
430.18073	6.6
447.09308	91.1
448.09680	8.4
828.26569	1.2
906.36047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	3.2
69.03459	4.0
71.01378	14.2
71.05019	0.7
71.54211	0.7
72.99297	0.9
73.02946	2.0
74.16764	0.6
75.00871	0.6
79.52841	0.6
83.01374	1.3
85.02946	2.6
87.00874	3.1
89.02448	9.6
95.01381	1.3
97.02932	2.4
97.06563	0.7
99.00870	1.3
101.02442	9.6
103.07469	0.6
111.04504	0.6
113.02460	3.7
116.92848	1.9
116.99783	0.7
119.03495	2.2
125.02445	1.8
125.09699	1.7
143.03522	1.1
151.11324	2.9
151.12312	0.7
153.12804	0.9
161.04489	1.3
161.09665	3.3
171.10187	0.7
179.10762	5.2
197.11829	33.5
198.12157	1.7
209.11829	1.7
221.06660	1.4
223.09717	1.1
235.08260	1.1
241.10820	2.0
255.23289	46.0
256.23633	3.0
397.13605	2.9
415.14819	1.4
687.22736	0.6
877.47943	100.0
878.48334	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	877.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74913	0.4
71.01358	0.5
77.03946	1.4
77.68536	0.4
79.01888	0.8
87.99047	0.4
93.03442	1.5
105.03431	0.7
117.03460	6.9
118.03781	0.5
119.05011	0.6
121.02934	1.7
123.00863	1.4
135.04546	2.1
139.00407	0.5
149.02403	1.7
159.04459	1.0
161.02400	2.8
163.03975	2.9
165.01855	0.5
166.99828	3.7
173.02371	0.5
180.01517	0.4
182.02197	28.5
183.02487	1.0
191.03473	1.6
195.05000	0.9
197.04539	37.4
198.04840	1.3
203.03404	0.9
211.07585	0.7
215.07062	1.1
224.04808	0.4
225.05299	0.4
228.93776	0.5
239.06995	1.2
241.04947	0.5
253.04951	0.6
268.03781	2.1
269.04419	2.2
281.04550	2.6
282.05191	1.3
283.06094	38.7
284.06357	3.0
293.04654	1.9
295.06143	1.2
309.04169	0.4
311.05582	75.7
312.05936	7.3
313.06274	0.5
323.05579	3.0
341.06537	6.6
342.06915	0.6
401.10919	3.7
431.09793	100.0
432.10107	13.0
433.10388	1.7
445.17712	0.5
707.36938	0.5
847.91492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02392	6.4
65.00322	6.3
69.55031	2.8
69.55441	3.4
72.99290	0.8
83.01389	6.7
83.70855	0.9
85.02955	2.6
87.72733	0.9
93.03432	3.3
95.01374	2.7
98.20686	1.1
107.01389	14.7
110.30381	0.8
111.00866	1.6
117.03493	6.4
121.02904	1.3
123.00892	1.3
124.01675	6.4
125.02434	3.8
145.02991	0.9
149.02507	1.7
151.00368	48.8
152.01149	20.6
153.01884	2.1
158.55252	1.0
159.04523	1.0
161.02463	1.8
163.00365	2.7
169.01379	3.3
178.99860	55.8
180.00165	1.7
182.02158	1.7
185.06020	1.3
189.02000	1.0
190.99750	1.5
191.05580	1.7
192.00653	4.4
193.01396	10.0
201.05394	1.0
211.03964	2.3
223.04092	1.6
225.05603	1.4
227.03496	3.9
229.05148	1.3
239.03442	3.3
240.04340	5.5
241.05055	15.6
242.05708	2.1
243.02844	1.7
243.06673	1.8
250.02838	1.0
251.03415	2.5
253.05003	4.4
254.02184	2.9
255.02960	5.9
265.05060	2.4
267.02939	5.8
267.06607	1.1
268.03729	5.8
269.04547	14.8
270.04953	1.7
271.02515	5.9
271.06131	2.0
272.03250	1.3
281.04529	6.1
282.05139	1.0
283.02539	1.6
283.06134	2.6
293.04590	2.2
295.02521	2.6
295.06009	1.8
296.03226	1.1
297.04080	5.9
299.02081	1.5
299.05478	2.1
300.02734	9.3
301.03482	6.9
309.04004	6.6
310.04883	1.7
311.05692	3.4
321.03928	2.0
323.05804	1.3
333.04031	1.0
335.05646	1.4
337.03528	2.0
339.05109	1.7
347.05222	1.2
357.07523	1.2
363.05057	2.2
365.02808	1.4
385.07260	1.8
387.08771	3.6
403.04303	2.4
407.04089	2.8
415.08093	5.5
420.04898	1.2
421.05884	1.8
427.08063	1.6
429.06223	2.6
429.17630	2.0
430.07001	1.5
431.03909	4.3
431.08151	3.0
435.03275	1.8
443.03766	1.6
447.09375	15.0
448.09995	1.5
449.04749	7.6
459.06839	2.1
461.09360	2.1
473.05124	1.2
479.06149	2.3
595.11035	2.3
611.08136	4.9
641.09363	2.2
731.12634	2.5
757.14081	16.8
758.14728	2.3
787.15100	3.8
877.18329	100.0
878.18622	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	876.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98557	0.1
69.45067	0.7
109.02956	0.2
116.92851	0.6
123.00904	0.1
124.09698	0.1
136.01692	0.2
137.02452	0.3
143.85660	0.1
151.04050	0.1
163.03999	0.2
230.36015	0.1
342.11081	0.1
343.11783	0.4
344.12177	0.2
345.12320	0.1
371.11258	0.8
372.11838	0.8
373.12140	0.5
374.12430	0.2
404.11658	0.1
404.28250	0.1
424.07919	0.1
425.96252	0.1
502.03195	0.1
624.39343	0.1
786.31628	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	3.9
65.00323	7.2
71.01366	1.0
73.02937	0.9
83.01376	5.5
85.02952	1.4
85.67704	0.8
88.82929	0.8
93.03442	2.3
95.01374	1.6
107.01384	12.1
111.00854	2.5
113.02412	0.8
117.03451	6.9
118.61214	0.8
121.02879	0.8
123.00890	1.4
124.01672	5.7
125.02470	4.0
139.00328	0.9
149.02425	1.3
151.00362	46.3
152.01158	20.8
153.01802	1.4
159.04425	0.9
161.02446	1.2
163.00385	2.6
163.03990	0.9
169.01411	4.0
178.99849	56.7
180.00220	1.5
182.02072	1.1
185.02367	0.9
191.05519	0.8
192.00586	3.9
193.01398	7.5
196.05362	0.9
197.06247	1.3
201.05501	1.1
211.03981	2.1
211.07658	1.0
213.05417	0.8
223.04370	1.0
224.04849	1.1
226.02756	1.5
227.03415	4.6
229.04919	1.3
229.54390	1.0
237.05449	1.0
239.03500	2.3
240.04228	3.2
241.05029	15.6
242.05591	1.4
243.02939	1.3
243.06511	1.2
249.05721	1.5
251.03435	2.3
253.05020	2.4
254.02310	1.2
255.02936	6.3
255.06691	1.8
257.04446	1.7
265.05005	2.5
267.02963	6.7
267.05881	1.0
267.12323	1.9
268.03561	4.8
269.04504	14.9
270.04846	1.2
271.02444	4.9
271.06219	1.3
272.03201	1.6
275.09360	0.9
279.02917	2.2
280.03757	1.1
281.04480	5.1
282.05151	1.4
283.02512	1.7
283.06073	3.3
293.04471	2.2
295.02414	2.4
295.06018	2.0
296.03207	1.5
297.04016	5.6
298.04663	1.3
299.02420	1.3
299.05417	3.9
299.42200	1.0
300.02728	10.9
301.03467	7.7
302.03754	1.0
307.06094	1.3
309.04117	4.5
309.07147	1.0
310.04660	2.4
311.05603	3.5
319.06238	1.1
321.03802	1.3
335.01834	0.9
335.05533	1.6
336.67746	0.8
337.03357	2.5
339.05005	1.8
344.07150	0.8
347.05551	1.2
360.19659	0.8
363.04770	1.2
369.07584	1.4
373.07129	1.0
374.04266	0.9
375.04996	1.0
377.06628	1.3
385.22031	1.0
387.08691	3.5
389.02679	1.0
398.06091	0.8
403.04062	1.5
405.06464	1.3
407.04065	2.5
415.08563	5.5
420.04517	1.5
421.05453	1.3
427.08026	0.9
429.06161	2.4
429.17606	1.5
431.03650	3.9
431.07877	5.0
435.03345	1.7
443.04507	1.0
446.22214	0.9
447.09241	17.5
448.09644	2.1
449.05096	8.2
459.07401	1.3
461.04688	2.1
473.04810	1.7
479.06110	2.4
595.10803	1.2
611.08258	3.3
641.09454	2.2
731.12531	1.9
757.14087	15.3
758.14288	1.9
787.14648	4.0
858.00592	1.0
877.18256	100.0
878.18707	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	876.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48211	0.2
61.98828	100.0
69.32265	1.3
88.46191	0.1
88.98796	0.2
98.20593	0.3
103.81169	0.2
116.92870	0.3
360.80835	0.2
371.11664	0.3
373.12485	0.2
475.23160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98544	0.1
71.01369	0.1
98.20715	0.1
98.53726	0.1
109.02985	0.1
116.92846	0.1
123.00875	0.1
137.02463	0.1
138.02815	0.1
152.04428	0.1
159.82623	0.1
187.04039	0.1
227.33504	0.1
259.70639	0.1
371.11447	0.3
372.11667	0.5
373.12198	0.3
374.12390	0.2
728.25085	0.1
736.66089	0.1
894.99762	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	876.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29511	0.1
61.98832	100.0
62.98541	0.2
66.73081	0.1
98.20647	0.4
129.34656	0.1
144.59949	0.1
221.23804	0.1
229.22029	0.1
366.32974	0.1
373.12180	0.2
385.38913	0.1
474.59250	0.1
477.90686	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	876.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.77290	0.1
62.98529	0.1
71.46389	0.1
75.95354	0.1
76.90963	0.1
89.02489	0.1
90.49476	0.1
95.01402	0.1
103.17477	0.1
109.02949	0.3
110.03246	0.1
116.92889	0.3
117.92855	0.1
121.02930	0.1
123.00909	0.1
136.01663	0.2
137.02480	0.5
138.03001	0.1
151.04012	0.2
152.04398	0.2
153.44406	0.1
157.08728	0.2
162.03210	0.1
163.04068	0.3
164.04352	0.1
175.04012	0.2
179.03529	0.1
342.11160	0.2
343.11502	0.5
344.11957	0.4
345.12448	0.2
371.11383	0.8
372.11774	1.2
373.11987	1.0
374.12335	0.4
412.18524	0.2
413.18890	0.1
785.30585	0.1
786.30756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	5.3
63.01171	0.7
63.82156	0.6
67.79337	0.6
71.01374	4.5
73.02946	1.2
83.01397	0.8
85.02941	1.6
89.02447	1.9
93.03488	0.8
96.96029	1.6
101.02435	2.4
102.47960	0.7
113.02454	1.5
114.31085	0.6
119.03469	0.8
133.02902	0.8
135.04556	0.9
136.01636	2.5
137.02361	1.0
150.03259	0.7
151.03986	2.0
161.04515	1.2
163.04079	0.8
164.71223	0.6
170.37273	0.6
178.02786	1.1
191.05577	1.9
271.32217	0.7
275.09283	1.7
321.61856	0.7
327.21753	1.0
329.08600	0.7
358.93008	0.8
386.94806	0.7
388.45929	0.7
677.35455	1.2
713.25909	17.6
714.26392	3.6
779.66113	0.8
839.40631	6.1
875.38367	100.0
876.21466	1.1
876.38501	20.8
876.54803	1.4
881.54779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	4.3
67.01879	1.3
69.03465	1.0
71.01371	5.7
71.55179	1.0
73.02939	2.8
73.60285	0.8
74.95858	0.9
83.01365	1.2
85.02939	2.9
87.00880	1.4
89.02413	1.5
93.03441	8.5
101.02441	3.6
111.04507	1.3
113.02393	1.7
117.27252	0.9
125.02438	2.1
133.02948	3.1
134.03752	7.4
135.04472	3.0
136.01631	1.4
137.02441	2.0
149.04517	1.2
150.03145	1.6
151.03960	1.7
161.02458	1.6
161.04446	1.4
162.03197	1.9
165.05492	1.5
173.04558	10.0
177.01918	1.7
178.02702	3.9
179.03372	1.6
191.05603	8.9
192.05803	1.0
195.06526	1.0
231.10184	1.5
275.09286	7.4
276.09744	0.9
293.10394	4.2
371.11786	1.1
415.31967	0.9
425.14233	1.6
449.14618	10.7
450.14960	1.6
467.15628	1.5
554.98108	1.0
713.25336	1.4
839.40692	5.8
840.42120	2.0
875.38354	100.0
876.38708	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	873.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	5.9
71.01380	22.0
71.17492	4.1
73.02943	3.0
85.02956	5.5
87.00872	8.1
89.02441	21.7
96.96017	4.1
99.92574	3.5
101.02450	17.0
102.90511	1.6
113.02449	9.8
116.92864	26.7
119.03517	4.2
125.02452	8.9
136.66206	1.8
143.03467	2.3
161.04555	7.2
179.05640	9.6
191.05698	2.2
221.06717	5.6
235.08142	2.5
277.21674	10.5
379.12454	3.2
383.11884	2.4
397.13458	6.9
485.14905	3.3
559.18719	100.0
560.19073	9.7
577.19867	28.5
837.41266	14.7
873.38977	38.2
874.39532	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	873.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	39.4
71.23245	30.1
87.08771	15.8
91.85279	15.7
114.67677	14.1
124.18250	16.7
127.43570	16.3
196.68999	16.9
223.26396	16.5
260.20328	14.4
277.21719	100.0
341.23212	73.6
341.26987	17.9
873.50964	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03963	0.5
67.01879	1.5
68.32811	0.5
68.99815	1.2
70.86829	0.4
71.01382	0.6
74.11141	0.4
83.01388	1.4
83.04407	0.4
84.96040	0.5
93.03468	1.4
95.01398	4.0
97.03011	0.5
103.05508	0.6
107.05050	0.5
108.02164	1.2
109.02228	0.8
109.02950	11.5
109.23098	0.4
111.00879	1.0
121.02950	4.1
122.03773	2.5
123.00888	6.5
123.04512	1.9
124.01697	2.1
125.02451	3.4
131.05066	1.1
133.03011	0.5
133.06621	0.7
134.03688	1.1
135.04489	1.3
136.01662	10.3
137.02446	22.8
138.03276	4.0
145.02977	1.0
146.03740	0.8
147.04497	1.2
149.02480	2.0
149.06053	0.8
150.03239	0.7
151.00362	0.5
151.04005	10.8
152.01013	0.4
153.01918	1.2
154.02711	1.0
159.04506	2.1
161.02454	1.9
161.06049	1.2
162.03227	4.7
163.04002	11.8
164.04820	1.0
170.59480	0.4
175.03990	4.5
176.04771	0.8
177.01906	0.9
177.05585	5.4
179.03528	4.0
179.07150	0.6
180.04141	0.6
181.27916	0.4
187.03992	5.3
189.05597	1.9
189.52339	0.4
190.06349	0.6
192.04312	0.5
193.05060	1.3
203.03506	1.6
205.05025	1.9
218.05840	1.5
226.09941	0.6
233.08218	1.4
239.07126	0.7
253.08673	2.3
254.09410	1.3
256.07355	0.9
269.11755	0.6
327.08713	0.8
341.06589	0.9
341.10345	0.6
342.07547	0.5
342.11032	15.8
343.11813	22.8
344.12045	1.8
355.08578	0.5
356.08978	0.9
371.11328	100.0
372.11716	8.0
373.12894	2.3
411.18127	20.1
412.18512	2.4
634.60632	0.5
696.22137	0.6
703.99194	0.5
714.22455	1.0
755.30621	2.4
756.31317	0.5
765.29187	2.4
766.29816	0.6
783.30212	8.5
784.30237	2.1
879.90009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	2.5
69.03429	0.9
69.95797	2.8
71.01382	12.6
73.02962	3.6
83.01368	3.1
85.02954	8.5
86.00099	1.6
87.00859	0.7
89.02425	0.8
95.01363	1.1
96.96014	2.7
97.02904	1.1
99.00883	2.0
101.02457	7.3
111.00862	1.2
112.01660	1.4
113.02455	4.9
116.77314	0.6
124.01610	1.2
125.02428	1.9
135.08147	2.7
143.03450	1.7
149.06136	1.0
150.06880	4.3
151.03975	0.6
161.04594	0.8
163.07643	100.0
164.07976	3.7
167.17294	0.6
176.08440	0.6
213.77652	0.7
414.07147	0.6
446.34140	1.0
461.36374	11.7
462.36935	1.1
605.40558	48.1
606.40942	5.3
623.41589	61.4
624.41949	9.7
665.42657	49.6
666.43005	8.9
767.45917	5.1
768.46167	0.8
785.46857	3.7
786.47388	0.9
827.47174	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	873.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	1.3
67.01890	0.7
67.58746	0.4
68.99825	0.9
71.01374	0.4
72.12431	0.3
79.53271	0.3
79.83132	0.4
80.50169	0.4
83.01387	1.4
84.02171	0.6
93.03463	0.9
95.01381	3.8
97.02954	0.6
107.05006	0.6
108.02180	1.5
109.02954	10.8
109.03696	0.6
111.00898	0.7
112.27743	0.4
116.92870	0.4
121.02953	4.5
122.03734	2.3
123.00890	4.6
123.04510	1.6
124.01691	2.6
125.02437	2.6
127.65001	0.4
131.05020	1.0
133.02983	0.7
133.06586	0.8
134.03703	0.7
135.04524	1.5
136.01660	11.1
137.02444	22.4
138.03178	1.8
139.00304	0.7
143.05022	0.7
146.03795	0.6
147.04475	1.0
149.02452	1.5
149.06052	0.5
150.03203	0.6
151.04012	10.5
152.01132	0.9
153.01947	1.6
159.04509	2.4
161.02443	2.2
161.06091	1.3
162.03252	4.7
163.04007	11.0
164.04692	0.6
173.06070	0.5
175.04007	4.4
176.04727	0.6
177.01939	1.3
177.05571	5.1
179.03499	4.6
187.04018	4.6
187.43222	0.5
189.05547	1.7
190.02682	0.4
190.06311	0.9
191.07040	0.4
193.05049	1.8
194.15199	0.4
201.05502	0.5
203.03461	1.1
205.05038	1.6
205.08792	0.5
211.07639	0.7
218.05840	1.3
219.06662	0.5
226.09900	0.6
229.33818	0.5
233.08183	1.1
239.07205	0.9
253.08743	2.3
254.09404	0.8
327.08688	0.9
341.06503	0.5
341.10303	0.5
342.06763	0.5
342.11057	17.6
343.11826	26.2
344.12106	2.8
355.08228	0.7
356.08945	1.4
371.11328	100.0
372.11649	8.9
373.12836	2.7
411.18121	19.8
412.18381	2.1
714.22668	0.9
737.29865	0.5
755.30469	3.8
756.31055	1.1
765.29291	2.4
766.29315	0.5
783.30206	9.5
784.30414	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	871.468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57998	1.2
61.68982	1.1
61.98826	2.6
69.03454	1.9
71.01378	16.4
71.44730	1.2
72.99290	2.1
73.02953	2.8
80.24494	1.0
83.01369	2.2
85.02935	3.8
87.00871	3.1
89.02442	12.6
91.74657	1.3
95.01337	1.2
95.04993	1.9
97.02963	1.5
97.06587	6.5
101.02439	9.6
113.02437	5.4
119.03487	2.6
125.02447	4.2
151.11290	12.5
161.04472	1.4
167.50552	1.1
169.12332	39.8
170.12711	1.7
177.90132	1.1
195.10170	1.5
213.11244	5.7
221.06876	1.3
230.47012	1.3
277.21692	35.8
278.22043	2.4
311.16815	2.0
397.13489	5.4
406.77899	1.2
585.85638	1.5
593.24304	1.6
827.55200	1.6
871.46875	100.0
872.47052	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	868.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.54745	0.4
80.96488	0.4
103.33805	0.2
107.67919	0.2
108.06783	0.2
242.23647	0.2
255.23421	0.3
381.24448	0.2
485.22244	0.2
497.27414	0.3
783.42218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
71.54474	0.3
73.27422	0.3
75.15775	0.3
75.69688	0.2
80.96523	0.5
122.93886	0.3
136.38115	0.3
178.80264	0.3
223.09445	0.3
330.69409	0.3
352.67953	0.2
483.44781	0.3
542.29480	0.3
868.51569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
88.61251	0.1
98.19764	0.3
106.55919	0.2
112.28253	0.1
112.64175	0.1
171.10347	0.5
172.10687	0.4
255.23318	0.4
256.23648	0.2
267.49377	0.1
351.39172	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	3.8
69.03441	1.1
71.01378	16.0
72.99305	1.1
73.02938	2.3
75.00835	0.7
81.03480	1.2
83.01387	2.6
85.02956	5.4
87.00871	5.4
87.21062	0.6
89.02439	15.5
95.01389	1.3
97.02961	2.9
101.02433	13.7
113.02447	7.5
119.03496	4.6
125.02443	7.7
125.09711	1.1
127.11256	1.8
131.03525	1.1
139.04016	0.9
143.03488	3.6
161.04572	4.0
171.10265	100.0
172.10626	4.4
179.05600	3.9
217.07245	1.3
221.06688	0.9
229.30766	1.0
235.08214	5.8
253.09354	1.8
255.23285	71.0
256.23669	5.3
259.08179	1.6
262.20950	0.8
269.24896	1.2
287.07745	2.0
293.21338	1.0
295.22757	2.7
305.08914	2.9
323.09818	1.3
361.40640	0.7
379.12411	21.8
380.12820	0.8
397.13486	43.0
398.13797	2.5
415.14520	8.6
425.52823	0.7
551.23480	5.8
569.24512	3.3
635.36707	3.8
636.36658	0.8
653.37701	7.0
654.37360	0.8
656.50262	0.7
742.76990	0.8
743.87427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	20.7
63.22496	2.2
64.34035	2.5
69.03500	2.6
71.01389	16.9
71.54970	2.7
73.02962	4.2
74.20005	2.4
78.98525	2.3
83.01396	3.6
84.06088	2.5
85.02956	9.6
89.02454	12.2
96.95982	2.3
101.02451	10.0
106.06683	4.5
113.02462	5.8
119.03516	3.4
120.08182	10.7
122.06117	15.0
123.04538	2.5
125.02464	5.4
128.77180	2.4
134.06142	17.7
135.04524	4.9
137.02451	4.2
148.23035	2.5
152.07158	3.3
152.35167	2.4
158.02452	2.1
165.01990	2.7
167.03513	2.7
168.06610	2.2
175.04071	2.8
179.03377	3.6
190.05064	4.6
191.05602	3.3
237.10449	3.8
239.11893	4.1
239.97162	2.4
251.11920	4.9
263.08127	4.6
264.08994	5.4
265.09711	7.2
265.13095	2.6
277.09561	4.4
279.11313	16.0
290.17255	3.0
291.11472	5.5
305.09390	3.2
360.16959	2.5
382.28183	2.4
386.18643	2.7
426.18460	3.2
444.19479	3.1
472.18982	4.0
489.18906	3.1
490.19495	5.5
561.30688	2.9
650.23370	3.8
651.24182	7.0
682.25995	7.2
773.15875	3.8
773.30243	94.8
774.30591	19.3
805.32977	100.0
805.48035	5.1
806.32910	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	1.8
69.03459	0.6
70.61843	0.4
71.01388	0.6
84.02170	5.0
89.02458	0.4
93.03455	0.9
100.41490	0.4
106.69281	0.4
108.02170	6.9
109.02953	1.4
119.05025	0.5
121.02969	6.9
122.03764	0.5
123.00907	0.6
123.04579	0.5
124.37569	0.4
131.05116	0.5
134.03697	0.9
135.04543	0.5
136.01656	4.4
137.02460	3.0
145.03012	0.5
147.04532	1.7
147.08145	0.6
147.24292	0.4
148.05322	0.6
149.02400	1.1
150.03220	1.3
151.04001	0.6
158.03815	0.5
159.04578	0.7
161.02438	1.5
161.06052	2.3
162.03281	1.0
162.06834	1.8
163.03967	1.7
163.07669	1.8
165.01910	2.4
171.10268	1.4
173.06062	0.5
175.03998	3.9
176.04796	1.2
177.05591	0.5
182.02271	0.5
187.04005	0.9
188.04729	0.5
189.05556	1.6
190.06367	4.3
191.03490	2.3
191.07082	2.4
204.04308	1.9
205.04974	0.5
205.08704	1.2
209.11864	0.5
219.06651	2.9
220.07314	1.3
235.09792	1.9
255.23221	0.7
277.21790	2.8
282.08978	0.5
299.12808	0.6
306.22177	0.4
327.12396	1.8
355.11804	2.8
356.12622	4.1
356.94427	0.4
357.13281	1.0
385.12915	100.0
386.13235	8.7
386.18137	0.5
397.13434	1.1
685.79871	0.4
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
63.02391	0.3
65.00338	0.7
71.01379	0.9
73.02955	0.4
83.01397	0.8
85.02960	0.7
89.02477	0.3
91.01910	0.3
93.03497	0.3
101.02445	0.5
107.01395	2.1
108.02185	0.7
109.02966	1.5
119.01445	0.3
121.02952	2.3
125.02395	0.3
129.01944	0.3
135.00883	0.8
148.01720	0.6
148.69701	0.2
149.02420	0.5
151.00374	9.9
151.01585	0.5
152.00757	0.5
161.04585	0.2
163.00374	2.5
165.01903	0.2
173.84523	0.2
178.99861	4.3
180.00206	0.2
183.04489	0.4
183.10281	0.4
187.04019	0.5
190.99870	0.3
192.00737	0.4
199.04001	0.3
200.04823	0.2
201.05611	0.4
203.03471	0.3
211.03923	1.1
215.03441	0.2
216.04192	0.3
226.02705	0.6
227.03529	1.6
229.05011	0.9
239.03293	0.2
243.02991	4.8
244.03683	0.4
245.04529	1.4
254.02240	1.0
255.02997	13.7
256.03406	1.0
257.04550	0.3
266.01877	0.3
271.02484	27.8
272.02939	2.5
273.03818	0.9
283.02542	1.2
299.02023	0.6
300.02762	58.5
301.03488	42.9
302.03821	3.6
331.17532	0.4
370.48709	0.3
373.18741	1.1
437.07367	0.3
447.09314	100.0
448.09650	11.9
449.09909	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73701	8.5
66.10878	7.7
71.01381	40.4
71.53870	13.9
78.60139	8.4
81.03454	12.1
83.04991	14.2
85.02945	10.3
87.00838	12.2
89.02465	44.1
97.43524	7.6
101.02465	45.7
113.02409	14.3
125.02442	19.1
171.10269	100.0
179.05573	14.3
180.59685	9.8
207.10242	9.8
209.11824	81.7
210.12180	45.3
211.12206	14.1
235.08333	12.5
252.00024	8.6
255.23186	77.2
255.63197	9.3
256.23615	22.1
257.23874	14.8
277.21695	62.7
379.12381	28.7
380.12350	11.3
397.13489	90.4
398.13763	21.7
399.14084	18.4
415.14664	22.4
551.23578	15.6
569.24414	22.6
865.43585	65.4
866.43896	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	865.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
62.18751	0.2
63.02392	0.4
65.00311	0.9
70.65416	0.3
71.01382	0.9
73.02958	0.4
83.01381	0.5
85.02957	0.3
93.03465	0.4
99.46674	0.3
101.02428	0.6
107.01374	1.9
108.02164	0.5
109.02953	1.4
121.02197	0.3
121.02952	2.0
125.02391	0.3
135.00877	0.7
147.00836	0.3
147.13638	0.3
148.01669	0.5
151.00366	9.9
152.00806	0.2
163.00375	2.8
164.01057	0.4
178.99858	4.6
187.03928	0.3
196.41214	0.3
199.03979	0.3
211.03967	0.8
213.16788	0.3
226.02748	0.8
227.03496	1.7
229.04938	0.7
243.02939	4.2
244.03545	0.4
245.04507	1.5
254.02206	1.0
255.03000	14.0
256.03461	0.8
257.04507	0.4
266.02264	0.4
271.02472	26.3
272.02914	2.2
273.03891	0.9
283.02493	1.4
299.01947	0.6
300.02750	54.9
301.03491	43.0
302.03891	2.1
313.16431	0.3
373.18616	0.9
447.09320	100.0
448.09637	9.8
646.09668	0.3
828.83197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02397	0.5
65.00311	0.6
71.01395	0.6
71.23043	0.4
73.02966	0.3
83.01383	0.8
85.02950	0.6
89.02448	0.6
93.03440	0.2
101.02462	0.5
107.01402	2.2
108.02161	0.9
109.02951	1.3
113.02412	0.4
121.02935	1.6
125.02463	0.3
127.58548	0.3
135.00880	0.5
143.10858	0.3
148.01653	0.6
151.00366	10.1
163.00398	2.2
178.99847	4.6
190.99843	0.3
192.00667	0.4
199.03931	0.4
201.05579	0.6
211.03969	1.1
213.01817	0.3
226.02617	0.6
227.03555	1.5
229.05006	0.7
239.03363	0.4
243.02975	5.0
244.03249	0.3
245.04518	1.3
254.02202	1.1
255.02974	12.6
256.03574	1.0
271.02472	24.3
272.02863	2.0
273.04071	1.1
283.02402	1.7
299.01907	0.6
300.02731	54.4
301.03482	41.5
302.03812	2.6
313.16422	0.3
331.21097	0.4
373.18558	1.6
373.22675	0.4
391.32260	0.2
447.09296	100.0
448.09619	10.0
450.75461	0.3
590.54706	0.3
688.37091	0.3
701.94727	0.2
759.51587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	0.5
81.03466	1.3
83.01395	3.8
85.02944	0.9
93.03455	1.6
95.05024	1.5
97.02950	1.8
102.05685	0.5
105.03451	0.8
107.05020	1.5
108.02195	1.0
109.02957	12.1
112.95878	0.4
117.03466	0.7
120.49556	0.4
121.02972	2.3
123.04531	7.5
124.01685	0.9
125.02451	100.0
126.02781	2.6
131.05067	1.3
133.02953	4.7
135.04538	1.8
137.02443	13.5
139.04042	3.0
145.02975	0.9
147.04564	1.2
149.02464	4.1
149.06100	0.9
151.04004	10.7
157.02966	0.8
159.04549	2.4
161.02451	30.9
161.06110	1.5
162.03096	1.7
163.00346	2.9
163.04016	4.4
164.01144	7.3
165.01909	5.7
167.03465	1.4
173.06100	1.1
174.03244	1.2
175.04008	13.9
175.07695	0.9
176.01195	1.0
176.04300	0.6
177.01947	10.4
177.05594	1.5
179.03491	2.0
183.04533	0.9
185.06158	0.5
187.04030	3.9
188.04773	1.7
189.01967	2.0
189.05527	1.0
190.02684	0.7
191.03555	0.8
191.05617	1.2
193.05064	0.7
195.13849	0.8
199.04037	3.6
200.04469	0.6
201.02025	0.8
201.05540	2.4
203.03522	2.4
203.07076	3.0
205.01448	0.9
205.05006	3.5
211.03926	0.8
212.04803	0.7
213.01947	0.7
213.05559	1.0
215.03561	1.0
216.04332	0.7
217.05037	6.4
219.02994	4.1
221.08202	0.6
225.05524	1.2
227.03529	1.8
227.07133	0.9
229.05080	2.2
231.02922	1.3
231.06641	0.7
241.04961	0.6
242.02290	0.5
243.02965	17.3
243.06662	1.1
244.03220	0.9
245.04544	8.7
245.08185	4.9
247.06281	0.9
253.04901	0.6
255.02942	6.4
256.03717	2.2
257.04547	1.5
261.04086	5.1
269.04529	2.6
271.02087	0.6
271.06247	0.6
273.04062	1.5
281.04562	2.5
282.01791	0.8
283.02396	1.6
285.03961	1.5
286.04721	0.7
287.05609	27.9
288.05988	1.6
289.07184	17.2
290.07477	1.3
293.04611	0.7
295.06088	0.7
297.04147	0.8
297.07852	0.7
299.05688	4.1
315.08694	0.9
327.05280	0.7
328.05865	0.6
329.06689	0.7
337.07193	1.0
339.08777	1.5
341.06717	1.4
363.05145	1.7
381.10303	0.8
383.07620	0.7
387.05078	0.7
391.04578	1.2
395.07208	0.6
405.06143	5.2
407.07730	15.2
408.08215	1.5
413.08829	9.8
423.07230	4.0
425.08694	9.9
426.09183	0.9
436.77094	0.6
449.08615	6.2
450.08655	0.7
451.10361	7.2
493.11942	0.7
525.08435	2.0
533.10834	0.7
543.09320	4.0
544.09998	0.9
545.19855	0.6
559.12109	1.3
561.10205	1.4
569.10938	0.9
575.11987	9.1
576.12976	1.2
577.13501	10.8
578.13928	2.0
586.96906	0.6
587.11890	1.8
623.90363	0.6
677.12640	0.5
695.14117	10.0
696.14856	2.5
713.14929	3.9
714.16241	0.9
739.17072	1.8
762.45715	0.5
865.05292	0.7
865.19318	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	865.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.7
69.45959	3.2
71.01378	0.4
77.03996	0.6
81.03463	1.7
83.01389	4.1
83.05015	0.4
89.04000	0.6
93.03460	1.6
95.01396	0.6
95.05058	0.7
97.02952	2.4
107.05042	1.2
108.02209	0.8
109.02956	10.7
111.00874	0.5
117.03466	0.9
119.05022	2.5
121.02968	2.4
122.03773	0.6
123.00858	0.7
123.04530	7.2
125.02448	100.0
126.02785	3.2
131.05038	1.0
133.02971	5.5
134.03801	0.7
135.04515	2.7
137.02448	14.1
139.04065	2.2
143.05124	0.5
145.02911	0.7
146.03745	0.6
147.04526	1.0
149.02437	4.3
149.04524	3.6
149.05641	0.5
150.03166	0.9
151.04002	11.2
152.04343	0.9
153.76051	0.4
156.32236	0.4
158.03737	0.7
159.04529	2.9
161.02443	31.2
161.06049	2.8
162.03119	2.3
163.00342	2.9
163.04022	8.8
164.01167	5.6
165.01961	5.7
167.03542	1.1
173.06111	1.2
174.03258	0.9
175.04012	13.4
175.07715	0.5
176.01201	0.9
176.04277	0.7
177.01930	9.0
177.03362	0.8
177.05557	1.7
179.03519	3.6
185.06100	0.8
187.04004	4.3
188.04729	1.6
189.01923	2.1
189.05537	0.8
190.02739	0.6
191.03510	1.0
191.05614	0.7
193.05083	1.2
199.03976	3.4
201.01971	1.3
201.05576	2.0
202.06201	0.5
203.00060	0.5
203.03543	2.7
203.07132	3.6
205.01389	1.4
205.05054	3.4
211.03935	0.8
213.05571	1.1
214.02785	1.0
215.03514	0.6
217.01564	0.7
217.05058	6.0
219.02904	2.9
219.06607	0.6
225.05557	1.1
227.03589	1.1
227.07068	0.6
228.04135	1.0
229.05023	2.4
231.02989	1.2
231.06563	0.4
241.05095	0.8
243.02972	16.4
243.06587	1.9
244.03459	1.6
245.04541	9.2
245.08156	4.5
246.04916	0.9
247.06093	0.8
253.05019	0.9
255.02969	6.5
256.03726	2.5
257.04501	1.2
261.04034	5.5
262.04446	0.5
268.03979	0.5
269.04562	3.0
271.06311	0.6
273.04175	1.3
281.04578	2.2
282.01730	0.5
283.02484	1.8
283.05887	0.5
285.04163	1.6
285.07654	0.4
287.05615	26.0
288.06015	1.8
289.03937	0.9
289.07187	18.4
290.07556	1.7
297.03952	0.8
299.05557	3.1
301.07568	0.5
311.07813	2.8
315.08835	0.7
323.05576	0.5
329.06854	0.7
339.08627	2.2
341.06708	1.8
347.05508	0.5
363.05148	1.3
379.08496	0.5
381.09955	1.1
395.07660	1.2
405.06073	3.3
407.07706	18.3
408.08197	1.9
413.08832	7.3
414.09232	0.7
417.06363	0.6
423.07095	3.9
424.07733	0.6
425.08752	10.9
426.08890	1.0
435.07120	1.1
449.08768	6.0
450.08676	0.7
451.10394	6.1
490.15530	0.4
517.11432	1.0
525.08508	1.5
533.10620	0.9
543.09180	3.6
544.09143	0.5
559.12067	0.9
561.10809	1.8
569.10913	1.1
575.11835	8.0
576.12341	1.3
577.13458	9.7
578.14032	1.3
587.11823	3.3
588.12671	0.6
677.13861	0.5
695.14172	6.4
696.14880	1.4
713.14862	3.4
714.15588	0.6
739.16809	2.5
865.20166	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	865.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	0.4
66.21439	0.4
69.03440	0.7
70.19206	0.3
71.26098	0.6
81.03442	1.2
81.77942	0.4
83.01379	4.2
83.05043	0.5
85.02961	0.4
87.70235	0.3
89.03962	0.6
93.03431	1.5
95.01386	0.7
95.05030	1.2
97.02964	1.6
107.05025	1.7
107.77632	0.4
108.02166	0.9
109.02947	10.2
117.03452	1.1
118.78532	0.4
119.05080	0.7
121.02935	2.0
122.03726	0.8
123.04526	7.2
125.02441	100.0
126.02777	2.6
131.05032	1.1
133.02953	4.5
135.04507	2.2
137.02444	14.6
138.02939	0.5
139.04016	2.0
142.16956	0.4
145.02942	1.1
146.03773	0.5
147.04500	1.1
149.02438	3.4
149.06039	0.5
150.03175	1.3
151.03992	11.5
152.04305	0.5
159.04503	2.8
161.02431	33.3
161.06078	1.8
162.03130	2.1
163.00310	3.3
163.04008	3.5
164.01140	6.4
165.01923	4.7
167.03482	1.0
171.04541	0.5
173.02504	0.4
173.06085	1.0
174.03191	1.3
175.03993	13.6
176.01166	0.7
177.01910	11.1
177.05569	1.2
178.02466	0.6
179.03539	2.8
183.04590	0.4
185.06084	0.6
187.03998	4.5
188.04767	1.3
189.01936	1.7
189.05603	0.7
190.02657	0.7
191.03490	0.9
193.05045	1.0
197.06075	0.5
199.03986	3.5
201.01959	0.9
201.05482	2.2
203.03464	2.7
203.07115	4.2
205.01418	1.0
205.05005	3.3
211.03937	1.3
212.04625	0.5
213.05574	0.9
214.02676	0.8
215.03435	1.1
215.07181	0.4
217.01520	0.8
217.05005	7.1
219.02936	4.0
221.08182	0.7
225.05539	1.2
227.03513	1.8
227.07051	0.6
228.04262	1.1
229.05011	2.4
231.03006	1.6
240.04231	0.5
241.05161	0.9
243.02966	15.6
243.06683	1.0
244.03462	1.3
245.04535	10.1
245.08185	6.3
246.04868	0.8
246.08687	0.5
247.06096	0.5
253.05086	1.1
255.02992	7.0
255.06723	0.6
256.03763	2.5
257.04416	1.8
259.06003	0.6
261.04041	5.7
267.03043	0.4
269.04529	3.3
270.04959	0.6
271.06244	0.7
273.03995	1.8
274.04666	0.4
277.05139	0.5
281.04477	2.0
282.01733	0.5
283.02451	1.2
283.05978	0.4
285.04071	2.4
286.04602	0.5
287.05588	27.4
288.05887	1.9
289.07178	22.7
290.07608	1.4
293.04663	0.6
295.02457	0.5
297.03976	0.9
297.07419	0.4
299.05585	3.9
300.06021	0.5
309.99316	0.5
315.08893	1.2
321.07690	0.5
329.06552	0.9
331.08777	0.5
339.08743	1.5
341.06656	2.2
347.05676	0.5
363.05228	0.6
363.09140	0.4
379.08350	0.6
381.05859	0.8
381.10117	0.9
383.08035	0.7
391.04501	0.8
395.07657	1.3
405.05957	5.5
406.06561	0.5
407.07690	21.0
408.08026	2.3
409.09131	0.5
413.08743	7.2
414.09396	0.6
417.05844	0.7
423.07153	5.2
423.12381	0.5
425.08755	12.4
426.09122	1.4
435.07257	0.6
449.08713	6.6
450.09143	0.7
451.10278	8.1
452.10562	1.1
467.09708	0.7
525.08160	2.3
533.11218	1.1
534.10852	0.5
543.09210	3.8
544.10535	0.4
559.12683	1.2
561.10352	2.2
569.11212	1.7
575.11932	6.5
576.12555	0.8
577.13501	12.2
578.13898	1.6
587.11737	3.6
588.12402	0.5
695.14050	7.0
696.14484	1.4
713.15051	3.6
739.17133	1.8
865.20526	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	863.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01717	13.8
61.98830	12.8
62.28283	5.4
67.01848	4.2
71.52979	4.4
75.00872	100.0
78.38432	4.0
116.92841	15.9
123.00864	44.1
125.02440	5.6
137.02452	6.9
343.11707	5.2
371.11270	27.3
372.12097	14.5
386.13687	9.9
389.26251	4.5
398.30887	4.5
401.16336	9.5
773.28186	26.9
774.28241	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	863.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.5
69.03450	1.2
71.01379	16.9
72.23856	0.4
72.99297	1.3
73.02937	2.6
80.02671	1.3
81.03478	1.8
83.01382	1.7
83.04559	0.6
83.05027	4.9
84.02171	0.8
85.02950	3.8
85.54299	0.3
87.00869	4.5
89.02444	13.8
91.04000	0.3
95.01408	1.5
95.05042	0.5
97.02942	2.7
99.00890	1.2
101.02439	11.2
102.02753	0.4
109.02919	0.7
111.04526	0.6
113.02445	6.5
119.03493	4.0
125.02444	5.1
131.03490	0.5
133.05040	0.4
135.08221	0.8
139.03976	0.8
143.03499	2.5
161.04538	2.9
163.11279	3.9
165.12749	1.8
167.03455	0.4
179.05595	3.6
181.12358	0.5
185.04407	0.4
191.10767	1.3
207.10330	0.5
209.11815	100.0
210.12158	4.8
217.07179	0.9
221.06618	1.4
225.11333	0.4
227.12868	12.2
228.13173	0.7
229.20135	0.4
235.08197	5.5
236.08505	0.3
237.23138	0.3
253.09232	0.9
255.23279	55.4
256.23602	3.7
259.08102	0.4
263.07712	0.5
269.24725	0.4
287.07785	2.0
301.09332	0.4
305.08762	1.6
323.10077	0.7
361.11301	0.5
379.12430	9.0
380.12668	0.9
397.13480	39.1
398.13855	2.6
415.14581	7.7
416.14941	0.6
430.57562	0.3
589.24701	0.9
607.26007	1.1
618.76605	0.4
635.36414	0.7
653.38080	1.9
863.49542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03962	0.7
68.83715	0.4
69.44425	2.9
81.03458	1.9
83.01387	3.7
85.02948	0.8
93.03474	1.5
95.01407	0.9
95.05026	1.2
97.02940	2.2
105.03431	0.7
105.32735	0.5
107.05029	1.7
108.02160	0.7
109.02955	12.1
117.03493	1.0
119.05017	0.9
121.02936	3.1
122.03743	1.0
123.04527	9.1
124.01673	1.8
125.02447	100.0
126.02783	2.7
131.05025	1.3
133.02957	5.6
134.03816	0.5
135.04478	2.7
136.39851	0.5
137.02444	14.0
137.06094	0.9
137.25491	0.4
139.04021	6.2
140.04347	0.7
145.02943	0.9
147.04539	1.3
149.02420	3.3
149.06018	0.9
150.03256	1.4
151.04001	10.1
152.04353	0.7
152.34344	0.5
155.04930	0.5
157.02960	0.5
159.04503	2.9
160.01733	0.5
160.05263	0.4
161.02435	32.1
161.06017	2.2
162.03036	2.1
163.00336	3.2
163.03987	3.7
164.01140	5.3
165.01941	6.0
167.03487	1.6
173.06078	1.0
174.03282	0.9
175.04001	14.1
175.05528	0.8
175.07663	1.3
176.01126	1.1
176.04340	0.9
177.01918	10.9
177.05560	1.3
178.02501	0.5
179.03488	2.4
183.04459	0.5
185.06097	0.9
187.04027	3.3
188.04747	1.7
189.01906	2.3
189.05502	1.2
190.02713	0.7
191.03481	1.1
191.05650	0.7
193.05055	1.7
197.05927	0.4
199.04021	3.1
199.07729	0.7
201.01962	1.3
201.05605	2.1
203.03481	3.6
203.07115	4.3
205.01398	1.4
205.03445	0.7
205.05049	4.1
211.03969	1.0
213.05603	1.0
214.02794	0.7
215.03482	1.8
215.07144	0.7
217.01442	0.9
217.05040	6.7
217.08449	0.6
219.02921	4.1
219.06586	0.8
220.03212	0.4
221.08209	1.0
225.05600	0.7
227.03519	1.5
227.07143	0.8
228.04134	1.0
229.05029	2.8
231.02985	1.5
231.06528	0.4
241.05080	1.4
243.02966	18.6
243.06686	1.6
244.03476	1.3
245.04526	11.1
245.08153	5.4
246.04866	0.6
246.08609	0.5
247.06306	0.5
253.04953	0.9
255.02982	6.5
255.05624	0.5
255.06544	0.4
256.03772	2.5
257.04568	1.3
261.04013	5.8
269.04587	2.9
271.06110	0.7
273.04028	2.2
281.04645	2.0
282.01678	0.7
283.02454	1.4
283.05896	0.6
284.03027	0.8
285.04202	2.4
287.05606	27.4
288.02930	0.6
288.06003	1.5
289.07184	21.5
290.07532	2.1
295.05899	0.4
297.04086	0.8
299.05573	4.7
300.05789	0.5
315.08838	0.6
327.05026	0.6
329.06662	0.6
337.07184	0.8
339.08902	2.3
341.06604	1.8
363.05099	0.7
367.36234	0.4
381.10001	1.2
383.07660	0.9
391.04715	1.0
395.07776	1.3
405.06082	5.3
406.06244	0.7
407.07681	18.1
408.07986	2.1
413.08740	8.5
414.09235	0.6
423.07144	3.2
424.07574	0.5
425.08765	12.2
426.09171	1.3
435.07291	0.8
449.08749	6.3
450.09149	0.5
451.10324	7.6
453.33572	0.4
467.09839	1.1
525.08673	1.2
533.11023	1.0
543.09100	3.6
559.12726	1.3
561.10284	2.3
569.10620	1.2
575.11926	5.6
576.12323	1.0
577.13507	12.5
578.13855	1.3
587.12018	3.3
588.12286	0.7
669.17670	0.5
677.13403	0.6
695.14093	8.2
696.14850	1.2
713.15289	3.8
714.15704	0.9
739.17334	2.3
865.19794	2.8
866.20758	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	98.9
69.87530	22.3
71.54726	34.7
74.65552	25.1
75.93945	27.3
78.95954	25.0
109.02951	34.3
123.04560	36.0
125.02438	100.0
137.02448	38.7
151.04005	43.3
152.79156	26.8
177.05873	24.2
203.58461	26.8
289.07120	75.6
297.98810	25.2
501.92953	32.9
637.22809	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.305
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	48.6
71.54051	24.3
78.95879	27.0
88.11165	21.5
92.70538	24.4
93.13632	27.7
121.02950	72.0
181.96599	22.9
209.04544	34.8
209.11800	100.0
255.23206	48.4
385.64133	33.4
397.13574	41.4
564.12787	26.2
887.53632	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01718	12.0
61.98831	30.5
64.99512	12.5
71.53146	14.8
72.37951	12.8
77.54949	13.6
98.85477	15.1
116.92871	29.6
123.00871	77.8
137.02426	15.0
149.04630	13.9
219.26971	12.2
290.86493	12.5
371.11264	81.2
372.11963	27.1
610.78546	13.9
773.28052	100.0
774.28436	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83391	0.8
69.50706	3.8
69.51113	2.0
69.84579	0.8
71.01374	2.0
73.02934	1.2
86.98789	0.8
89.02430	1.1
93.03441	1.4
93.75938	0.8
96.95965	0.9
98.20596	1.5
101.02463	2.0
106.56308	1.0
107.01388	1.9
113.02470	1.0
121.02936	1.5
134.03706	1.3
147.04463	3.5
151.00388	7.9
161.04524	0.9
163.00305	1.9
165.05510	2.9
178.99828	3.2
181.05014	1.4
191.05603	2.0
193.04974	1.5
207.06613	1.4
227.03542	1.2
239.02950	0.8
243.02870	4.6
244.03575	1.1
254.02197	1.3
255.02979	15.5
258.36270	0.8
271.02463	29.6
272.02887	2.4
300.02740	62.9
301.03436	24.7
302.03867	1.4
311.05524	1.3
379.88501	0.9
387.20432	1.0
389.21826	0.9
429.20993	1.7
431.09900	1.5
431.22583	1.3
447.09119	1.1
467.16156	1.2
577.36731	0.8
609.14569	100.0
610.14716	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	861.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01707	7.4
61.98825	10.6
71.01383	5.5
71.20946	6.1
87.00842	5.4
88.98820	7.3
95.01374	22.3
100.82005	3.0
108.02229	4.5
109.02983	7.3
111.00876	3.5
116.92862	14.9
123.00881	82.8
125.02414	6.5
137.02478	3.2
150.03288	4.5
171.10274	11.5
191.05814	5.0
197.11865	6.5
209.11810	6.6
226.32037	2.9
281.08133	4.6
309.07605	27.5
309.20709	11.5
323.09280	5.9
324.10254	15.4
339.12268	15.0
343.11850	4.8
371.11295	33.2
372.11896	17.0
397.13480	5.0
401.12582	3.7
415.14725	3.8
462.13300	5.6
495.23837	3.2
711.24463	13.7
771.26593	100.0
772.27527	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	857.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98849	0.7
62.65228	0.6
67.01885	1.6
69.03455	3.7
69.76142	3.2
71.01382	60.8
72.99294	3.0
73.02948	17.2
75.00826	0.7
81.03455	3.5
83.01383	8.0
83.05045	3.5
83.78254	0.6
84.02141	1.7
85.02950	36.4
87.00877	5.2
89.02441	16.3
93.03459	10.4
95.01394	5.8
97.02947	4.7
99.00894	5.3
101.02443	35.4
103.09797	0.7
105.03456	1.1
111.00856	2.1
111.04528	6.0
113.02450	18.1
114.05604	2.2
115.03997	0.7
116.92901	0.6
119.03511	6.2
121.02932	1.6
123.04461	0.7
125.02431	7.2
131.03488	1.3
133.02972	3.8
134.03726	5.4
135.04549	4.0
135.11797	2.9
137.02422	1.5
143.03485	3.4
147.04530	0.7
149.04538	1.4
155.03493	1.1
159.03000	2.0
159.08131	0.8
161.02490	1.2
161.04543	7.7
161.09683	1.3
162.03207	1.9
173.04552	6.2
175.03957	2.1
177.01968	1.3
178.02675	0.9
179.05554	2.7
179.10762	13.0
180.11061	1.4
187.07602	1.0
191.05594	7.5
193.12277	1.4
203.10777	0.9
221.06639	2.2
223.09833	1.9
229.08763	0.9
231.10266	5.0
247.09868	0.9
253.08778	0.9
263.07458	2.3
269.08255	1.7
275.09265	16.9
276.09647	1.1
278.09329	0.8
279.06491	1.2
281.08237	2.8
289.10776	1.9
293.08243	0.9
294.09018	1.3
297.07715	6.3
302.10049	0.8
307.11780	1.1
309.07678	9.1
309.11307	2.7
310.08136	1.1
312.09998	4.7
323.09662	6.5
323.15027	0.8
324.09982	6.0
325.10574	0.9
327.12341	15.0
328.12665	1.1
339.12311	10.8
340.12894	1.0
352.08029	1.4
367.13998	12.1
368.14365	0.9
407.13446	1.9
427.13239	0.7
449.14471	10.3
450.14688	1.4
499.18506	0.8
533.31104	3.4
695.36481	16.7
695.48163	1.4
696.36816	2.6
725.28296	12.4
726.28479	2.8
857.41943	100.0
858.42316	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	857.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	4.5
63.14188	0.9
69.03454	1.8
69.76794	3.1
69.77212	2.5
71.01382	7.3
71.67315	0.9
73.02940	4.7
76.59488	1.0
81.03483	1.0
83.01392	4.2
83.05028	1.2
85.02958	4.5
87.00852	1.1
89.02438	3.9
89.03934	1.0
93.03457	5.9
95.04999	1.0
96.96034	1.4
97.02972	2.2
97.06570	1.3
98.19881	1.3
101.02449	2.9
107.05044	2.0
108.02197	2.5
109.02956	4.1
111.04531	1.6
111.70824	1.0
113.02462	2.6
116.92878	2.8
117.03457	4.4
119.05038	5.4
121.02964	3.9
122.03777	2.5
123.04520	1.9
124.01725	1.8
125.02446	2.9
131.03517	1.5
133.02924	3.3
134.03743	15.1
135.04543	15.3
135.11806	11.5
136.01662	88.5
137.02509	6.1
145.02971	1.2
146.03848	1.1
146.07372	1.0
149.02496	1.0
149.04553	4.3
150.03210	2.2
151.04004	100.0
152.04344	2.4
159.04535	1.6
159.08171	1.9
160.05357	1.7
161.02440	2.5
161.09682	7.1
162.03204	8.9
163.03964	4.1
163.07672	1.4
171.10179	1.6
173.04555	6.5
175.04027	2.3
175.07666	1.9
176.04755	1.3
177.01868	2.8
177.05534	1.3
178.02748	5.4
179.03468	4.0
179.10771	49.6
180.11105	1.3
189.05608	1.9
191.05600	8.0
191.07074	1.7
201.12790	1.1
203.10760	5.3
209.11902	1.6
211.13353	1.2
219.10107	1.0
221.11830	2.3
223.09689	5.5
229.08623	3.3
229.14465	1.3
231.10210	2.3
231.72539	1.1
245.11760	1.9
247.09735	3.0
265.10745	1.7
275.09268	30.9
276.09506	1.8
279.06772	1.3
289.10876	2.9
294.09097	1.9
298.18835	1.0
307.11874	2.9
308.09000	2.4
312.10080	1.7
323.14963	2.5
327.12375	11.7
327.21738	8.1
329.73856	0.9
339.12323	1.7
342.10968	4.6
343.11804	4.5
352.07977	4.2
357.13419	83.7
358.13797	6.2
367.13974	28.2
368.14331	2.2
407.13342	7.3
449.14557	5.3
499.18301	1.3
643.25922	1.1
725.28082	24.6
726.28406	4.0
857.32007	27.6
857.47083	1.9
858.32721	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	857.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88090	0.9
61.98798	1.2
69.03448	2.3
69.27228	8.9
71.01371	8.9
73.02939	8.2
79.05522	1.1
83.01377	7.5
83.05021	1.8
85.02967	5.4
87.00874	1.6
87.04520	1.5
89.02431	3.8
93.03460	7.1
95.05023	1.5
96.96011	1.3
97.02929	2.8
97.06583	1.2
98.20679	2.2
101.02444	4.8
103.49383	1.0
105.03489	0.9
107.05020	2.4
109.02975	1.4
109.06535	0.9
111.00845	1.1
111.04514	1.8
113.02439	2.0
117.03462	1.1
119.08664	1.0
121.02964	8.1
121.31339	0.9
125.02405	1.7
131.03516	1.0
131.92975	1.0
132.02220	1.0
133.02899	3.1
134.03734	7.3
135.04547	6.5
135.08063	1.0
135.11789	16.0
137.02368	1.9
138.48952	0.9
145.02968	2.6
147.04445	1.3
149.04526	2.4
159.08162	1.9
159.11746	2.8
161.04614	1.5
161.05881	1.2
161.09702	12.5
162.03152	1.8
163.04030	3.0
165.05643	1.2
173.04547	7.1
175.03989	10.4
175.11290	1.5
177.01942	2.1
178.02692	1.7
179.03455	1.2
179.10768	95.9
180.11067	3.1
185.09760	2.3
187.07640	1.1
189.12889	1.5
190.06345	4.4
191.05609	12.8
201.12872	2.3
203.07111	1.9
203.10773	6.5
205.08635	3.1
207.10240	1.1
219.08238	1.0
221.06107	1.4
221.11847	2.6
222.05283	3.9
223.07719	1.5
223.09727	10.1
225.05559	1.3
229.08640	5.4
231.10234	8.6
232.10739	1.2
235.07640	2.3
239.07016	1.8
240.04170	1.2
241.08777	1.2
245.11780	2.6
247.09756	4.6
251.07085	5.3
253.08632	4.5
261.05487	1.5
262.06262	1.7
263.07135	6.0
264.07950	1.5
265.10876	2.2
267.06763	4.8
267.09500	1.1
268.07281	1.1
268.10785	1.8
269.08255	10.2
275.09338	16.5
276.09732	1.0
278.09506	1.8
279.06610	8.0
280.07263	2.0
281.05304	1.8
281.08176	19.5
282.08713	2.6
283.09738	5.8
289.10809	10.1
291.06622	4.1
292.07391	2.1
293.08014	6.4
294.08920	8.3
295.09500	2.4
296.10489	4.0
297.07684	45.0
297.10947	2.7
298.07971	2.9
307.12213	5.3
308.06995	1.2
308.10568	3.7
309.07654	65.2
309.11261	18.0
310.08197	6.8
310.11374	1.6
311.05664	1.6
311.09174	2.5
312.10037	37.4
313.10556	4.8
323.09225	12.8
323.14923	6.0
324.06815	0.8
324.09982	43.7
325.10678	6.1
327.12350	100.0
328.12631	8.6
339.12338	81.7
340.12784	6.7
342.70206	0.9
349.12967	1.6
352.07953	1.3
367.13925	76.4
368.14307	6.4
371.11530	2.3
372.11859	2.5
399.29913	1.2
407.13351	2.2
417.32715	1.1
417.53296	1.1
449.14459	9.1
499.17993	6.6
523.20862	1.1
725.28149	57.6
726.28485	10.8
857.32281	35.7
858.31909	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	857.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	5.4
70.48186	7.6
78.95911	5.6
89.48204	2.5
95.01395	4.5
107.53722	2.3
109.02939	9.8
116.92843	7.9
121.02979	3.5
123.00877	8.5
124.01658	3.2
125.02476	4.2
133.70363	2.6
136.01625	7.5
137.02451	20.0
151.04053	11.6
161.02417	3.1
161.06084	3.2
163.03987	7.3
175.03999	3.2
177.05597	3.9
179.03543	5.8
187.03946	4.2
189.05470	3.8
193.05103	2.9
195.57802	2.5
199.13197	3.0
217.04944	3.4
277.21796	4.6
327.08719	20.0
342.11136	15.7
355.08258	100.0
356.08664	11.5
357.09695	3.1
411.18198	18.4
749.25317	2.7
767.27295	9.2
768.28296	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	857.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99289	1.5
61.98813	4.0
67.01884	4.8
69.03449	2.8
71.01392	11.0
71.55421	2.0
72.50906	1.3
73.02943	6.5
83.01384	15.8
83.05015	2.0
85.02950	5.8
87.00867	5.1
87.04528	2.9
89.02434	8.9
92.42825	1.2
93.03455	29.9
96.95991	1.6
97.02924	4.8
97.06598	1.4
99.00900	1.4
101.02424	5.2
107.05035	3.7
111.04510	6.3
113.02437	3.3
113.07049	1.3
117.03469	1.6
119.05045	12.1
121.02953	8.1
121.06552	1.7
123.04504	3.2
125.02400	3.2
131.03450	2.6
133.02956	11.2
134.03735	19.5
135.04503	11.4
135.08150	2.1
135.11810	4.1
137.02448	2.1
145.02892	4.1
146.07385	1.6
149.04530	18.8
149.05927	3.2
150.03169	1.7
151.04008	1.6
159.04431	1.9
159.08138	3.2
159.11794	3.8
161.02448	3.1
161.09717	20.3
162.03212	9.9
162.36398	1.3
163.04056	7.4
163.07605	2.3
173.04529	27.3
173.05901	1.0
175.03990	7.8
175.11240	2.0
177.01868	1.8
178.02676	2.3
179.03505	2.1
179.10770	29.7
183.11642	1.9
185.09648	2.4
187.07654	1.7
190.06378	4.3
191.05612	12.2
201.09314	1.7
201.12761	2.0
203.10762	13.1
205.08571	2.6
206.78691	1.3
211.07509	1.7
215.07088	2.1
221.11745	2.5
222.05269	5.0
223.07863	1.6
223.09744	5.9
229.08687	7.3
231.10258	20.0
233.06071	1.6
235.07527	3.0
245.11671	3.4
247.09654	6.8
250.06062	1.5
251.07161	3.0
253.08546	4.8
261.05518	2.0
263.07059	4.2
263.12866	1.5
264.07489	1.4
265.10855	3.6
267.06555	4.9
268.11075	1.6
269.08069	6.6
275.09271	60.2
276.09454	5.5
279.06610	7.9
280.07358	1.6
281.08163	15.8
282.08755	2.3
283.09683	3.3
289.10840	7.3
291.06601	4.1
292.07355	2.7
293.08081	7.3
294.08966	9.6
295.09631	3.5
296.07065	2.4
296.10245	3.4
297.07669	37.5
297.11002	2.9
297.21347	1.4
298.07986	2.0
307.12082	7.4
308.10492	4.5
309.07626	58.5
309.11227	18.0
310.08002	4.4
310.11423	1.7
311.05569	1.9
311.09201	2.9
312.10010	34.8
313.10590	3.2
323.09235	12.8
324.10016	36.7
325.10730	6.5
327.12350	100.0
328.12704	10.1
339.12341	95.5
340.12659	7.3
352.08310	1.5
367.09637	1.9
367.13928	24.0
368.14459	1.8
407.13297	6.6
431.09662	2.1
449.08282	2.5
449.14435	31.1
450.14774	2.3
499.18283	2.2
554.32178	1.4
651.27661	6.7
725.28058	91.3
726.28778	17.1
857.32208	21.1
858.32227	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	855.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72825	0.5
65.00306	1.1
67.84877	0.5
69.03443	0.5
71.01373	1.4
73.02945	1.7
73.70827	0.5
83.01352	0.6
83.05035	0.9
86.92830	0.6
87.00874	1.0
89.02433	6.9
90.46069	0.5
102.83382	0.5
107.01391	3.2
109.02956	1.7
119.02391	0.4
121.02939	2.0
131.03488	2.3
134.03761	0.7
135.00882	1.0
145.03009	0.6
146.03728	2.2
147.04544	1.0
148.01639	1.2
149.04553	30.0
150.04883	0.9
151.00363	10.3
151.66107	0.5
158.03723	5.7
159.04509	10.7
160.05016	0.6
163.00383	3.6
164.01221	0.6
172.05284	2.6
173.06056	6.3
174.06784	3.0
175.07666	2.5
178.99840	4.6
187.04070	4.0
187.07634	34.4
188.08005	2.4
198.06917	0.7
199.03925	0.6
200.04776	1.0
201.05589	2.5
201.09193	0.7
202.06343	8.3
203.03572	0.8
203.10791	6.7
211.04070	0.8
213.09132	4.1
215.07094	4.0
216.08022	0.7
227.03473	3.3
227.07050	0.8
229.05038	0.7
229.08691	1.3
229.39012	0.8
231.07954	0.8
231.10248	17.3
232.10596	1.4
239.03476	0.9
243.02942	5.3
245.04601	1.2
254.02112	1.0
255.02962	15.6
256.03442	1.6
257.08203	6.5
271.02472	28.9
272.02991	2.5
273.04031	1.2
275.09238	88.6
276.09512	6.0
283.02402	1.9
300.02725	57.9
301.03488	44.7
302.03787	3.2
389.12814	0.6
407.13425	35.4
408.13806	4.5
447.09293	100.0
448.09622	11.9
559.02679	0.6
700.27771	0.8
791.26404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48490	0.8
65.99828	0.6
67.01895	1.2
68.99825	0.9
71.01379	1.3
73.02956	0.8
81.03463	7.5
82.40774	0.7
83.01376	7.5
85.02943	2.1
87.00858	0.7
87.04520	0.9
93.03456	2.4
95.01395	1.1
95.05035	10.3
97.02934	4.0
97.06577	0.7
98.20776	1.5
99.04498	2.7
107.01366	1.0
107.04966	1.0
109.02941	2.1
109.06612	0.8
111.00835	1.1
111.04520	2.0
113.02430	1.8
121.02927	1.8
122.03713	1.0
122.55350	0.7
122.81901	0.7
123.04524	21.5
124.01608	0.8
125.02451	18.8
135.04512	2.0
137.02446	7.4
137.06076	11.7
138.03203	0.9
139.03996	3.0
141.05569	0.8
149.02393	1.6
151.00337	3.1
151.03963	2.3
155.03485	2.6
163.00389	1.7
165.05518	3.2
166.02643	1.7
167.03496	68.4
168.03764	2.1
177.01917	1.0
177.05530	1.1
179.03491	18.6
180.04257	5.1
181.04993	2.5
191.03453	1.4
191.05573	1.4
193.01463	0.8
193.05046	3.6
195.03008	4.5
197.04625	3.6
202.36391	0.8
206.02170	1.3
207.02972	2.3
209.04559	47.3
210.04881	1.9
221.04591	5.6
229.39670	1.1
239.05621	24.2
240.05911	1.2
251.05659	0.9
255.02956	1.8
271.02472	2.7
300.02786	7.2
301.03445	6.9
301.20313	0.8
302.03485	0.9
311.07788	0.8
317.19785	3.8
318.19907	3.0
319.21060	4.1
329.08795	0.8
333.08807	1.0
359.06891	2.0
359.20651	4.0
360.07486	4.6
360.21072	3.6
361.08362	4.5
361.22134	8.1
362.08853	1.6
373.08304	1.5
374.09073	7.5
375.09802	7.6
388.06781	1.1
403.09348	22.4
404.09930	3.8
405.11011	1.5
433.10394	15.3
434.10892	3.3
435.11810	0.9
447.09384	12.2
448.09589	1.8
505.12402	1.1
523.13788	5.6
578.84174	0.8
733.18787	8.8
734.18286	1.0
763.20178	1.9
853.23053	100.0
854.23413	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	853.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96481	0.6
61.98828	2.2
65.00340	0.8
67.01911	0.7
68.99815	1.4
69.03453	1.9
69.22686	5.6
71.01399	2.4
79.39769	0.5
80.02698	0.8
81.03457	12.9
82.03819	0.6
83.01388	9.3
85.02963	3.1
93.03492	2.8
95.01358	1.0
95.05032	15.5
96.96032	1.5
97.02943	4.9
98.19881	1.5
99.04517	5.4
101.02436	1.1
107.01353	1.0
108.02188	1.0
109.02978	3.2
111.04541	1.3
113.02448	1.1
119.05006	0.7
121.02971	2.0
121.06628	0.8
122.03745	2.5
123.00893	1.4
123.04530	23.5
124.04916	0.9
125.02449	28.8
126.02695	0.6
129.01968	1.2
135.04526	1.4
137.02452	6.3
137.06093	18.9
138.03215	0.8
139.04022	4.5
141.05585	1.1
149.02466	2.1
149.06114	1.2
150.03023	0.6
151.00407	1.4
151.03996	2.6
153.01910	0.9
153.05609	1.1
155.03497	1.9
163.00403	1.1
163.04068	1.3
163.07780	0.7
165.01953	1.6
165.05600	5.1
166.02744	1.9
167.03499	75.8
168.03851	1.7
173.00926	0.5
177.01871	1.0
177.05594	1.1
178.99944	1.4
179.03520	15.2
180.04291	4.4
181.05025	3.9
187.13403	1.0
191.03505	1.5
191.05579	1.1
193.01428	5.7
193.05064	3.9
195.02994	18.3
196.03346	0.7
197.04568	3.6
206.02191	2.2
207.03029	2.7
209.04552	99.4
210.04912	4.0
219.02876	1.1
221.04558	3.6
239.03142	0.9
239.05577	15.9
240.05925	0.6
251.05647	1.4
267.05569	0.6
306.07535	0.6
311.07788	1.0
324.17221	0.6
329.08740	3.3
333.09042	0.7
349.18542	1.3
360.07568	1.6
361.08139	2.3
362.08987	1.6
363.09818	2.0
374.09082	2.1
375.09943	5.2
376.10385	0.9
390.08493	0.9
391.09174	4.3
391.19821	2.6
403.09314	8.0
404.09741	2.6
405.10992	5.7
417.11038	0.8
433.10593	3.2
451.10233	0.8
505.12302	0.9
523.13556	15.6
524.13684	1.9
532.38232	0.7
733.18964	1.8
853.23071	100.0
854.23456	21.5
880.19891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.4
61.98827	1.6
69.03448	1.2
71.01377	10.8
71.45670	1.7
73.02938	2.8
75.31656	1.2
78.95878	1.8
78.99678	1.2
83.01398	1.5
85.02953	2.6
86.52039	1.2
87.00875	3.0
89.02434	10.4
94.70736	1.2
97.06574	4.5
101.02453	9.3
104.40583	1.2
107.31744	1.2
113.02441	4.7
119.03455	2.0
119.14066	1.3
125.02412	3.8
133.10226	1.3
134.15848	1.2
151.11278	10.8
153.00856	1.1
161.04504	1.4
169.12334	35.4
170.12592	1.5
213.11293	4.1
235.08191	1.6
242.41119	1.4
244.30145	1.3
255.23262	43.4
256.23578	3.6
394.56583	1.4
397.13528	2.7
412.49203	1.4
473.23358	1.3
593.24786	1.5
849.48492	100.0
850.48901	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	850.256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.0
60.01715	0.2
61.98832	100.0
62.98547	0.1
68.36698	0.1
71.31481	0.2
106.23042	0.1
109.02952	0.1
113.20687	0.1
119.25093	0.1
123.00871	0.5
124.01254	0.1
241.31967	0.1
340.49957	0.1
357.09305	0.1
372.11703	0.2
373.11505	0.1
479.67697	0.1
758.27106	0.1
759.25958	0.3
760.25830	0.7
761.27362	0.1
874.83966	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	851.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
59.17948	1.3
61.98821	9.7
66.53922	1.4
67.01907	1.7
71.12489	1.3
71.53987	1.7
78.49551	1.5
81.03469	7.2
83.01380	7.7
85.02956	2.3
88.13215	1.3
93.03505	2.4
95.05019	7.8
96.95989	2.3
97.02885	1.3
99.04516	2.3
109.02962	5.3
115.17577	1.2
121.02986	2.1
121.91790	1.3
123.04536	19.4
125.02455	14.4
134.42584	1.7
137.02454	21.7
137.06097	10.7
139.03992	5.5
149.02441	2.6
149.06093	1.4
151.03978	4.3
161.02444	2.4
163.00356	7.7
164.04962	1.8
165.05565	4.5
167.03491	65.8
177.05540	3.3
179.03502	100.0
180.03865	3.1
181.05089	2.5
189.05428	1.2
191.03603	7.0
191.05348	1.5
193.05075	13.1
205.05232	1.3
209.04549	89.9
210.04883	4.3
221.04552	56.1
222.04788	2.5
223.06209	3.0
238.79037	1.6
239.05597	36.0
240.05907	1.6
245.82983	1.3
251.05574	17.4
311.07529	2.2
323.07779	1.8
329.08801	32.4
330.08987	3.7
341.08731	30.8
341.12479	2.7
342.09067	2.1
342.69611	1.4
389.08731	18.2
401.09085	2.7
419.09747	2.2
461.69400	1.4
491.11856	4.2
509.12979	83.3
510.06213	2.0
510.12979	10.2
521.13000	46.8
522.13208	4.4
681.23529	1.4
731.17889	3.7
851.22357	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	851.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	23.4
67.55315	0.4
69.60233	0.5
71.01386	5.3
72.01760	0.4
72.99330	0.5
73.02955	2.5
77.29301	0.4
82.05264	0.4
83.01387	1.1
85.02941	2.5
87.04495	0.6
87.66891	0.4
89.02451	1.5
93.03451	1.1
98.19897	1.4
100.02931	0.4
101.02438	3.3
107.01376	1.2
107.05027	2.0
108.02144	0.8
109.02959	0.5
113.02449	1.7
119.03480	0.8
121.02979	1.1
123.04514	0.5
125.02422	1.0
129.01935	0.8
129.56088	0.4
137.02434	1.5
148.01709	0.7
151.00383	3.8
161.04572	1.0
163.00391	0.9
167.03421	0.5
173.00961	0.6
178.99905	2.2
183.10208	1.1
185.11859	2.4
191.05563	0.5
197.11522	0.4
199.13417	1.4
203.05649	0.5
209.04475	0.5
215.03572	0.5
226.02762	0.6
227.03436	1.4
227.12891	1.8
243.03006	4.4
244.03622	0.6
254.02251	1.5
255.02966	16.2
256.03363	0.8
271.02478	31.3
272.02975	2.7
283.02521	0.7
284.03378	0.9
299.02011	0.6
300.02744	81.1
301.03397	20.2
302.03833	1.5
331.17712	2.8
366.72174	0.5
373.14420	0.7
373.18668	5.6
375.85919	0.4
389.18216	1.1
403.11194	0.5
433.07724	100.0
434.08075	11.8
447.09116	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	849.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98538	7.4
61.98832	100.0
63.99222	5.3
98.19785	7.4
108.09761	3.6
109.02924	9.0
136.01662	5.1
137.02441	15.1
151.03922	3.7
163.04027	5.2
177.29156	4.5
179.03352	4.2
232.89430	4.4
330.66272	4.5
342.10757	5.6
371.11343	67.0
372.11676	10.3
373.12064	5.4
406.93857	4.1
490.77356	5.0
571.60724	3.9
783.30713	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	849.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	9.2
71.17437	6.2
71.17760	7.4
109.02937	6.3
112.67520	5.6
136.01672	8.8
137.02457	15.1
172.74254	5.6
261.73685	5.5
291.30261	4.9
346.96915	5.5
371.06918	9.0
371.11310	100.0
372.11893	9.4
405.98334	5.5
411.18198	8.2
414.99466	6.1
759.05957	6.7
783.30585	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	849.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	18.3
64.62057	13.0
68.48608	11.2
71.52351	12.6
71.52699	11.7
85.59628	12.6
113.02402	13.1
137.02431	17.4
181.15828	12.9
251.49971	12.4
343.11707	20.9
371.11349	100.0
411.18066	28.0
488.03537	14.5
645.05048	15.0
772.33142	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	849.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98804	24.4
69.21389	100.0
69.21817	92.4
74.43133	19.5
77.77701	21.8
80.48123	21.1
85.80856	22.1
89.51967	19.6
93.88776	19.6
117.40037	18.7
169.26666	22.7
189.09096	20.8
198.75095	22.4
371.11261	69.9
430.27225	21.1
787.58624	23.1
853.47113	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	849.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	9.9
61.98833	12.8
66.65240	2.1
68.99816	5.1
71.52934	2.5
87.70831	2.4
93.03421	2.5
95.01401	14.0
100.53738	2.1
103.63216	2.2
109.02951	4.2
111.00882	2.8
121.02946	5.1
123.00891	100.0
123.04471	3.6
136.01649	20.8
137.02402	6.6
138.03183	5.0
151.00375	8.2
151.04012	22.9
153.01959	3.7
153.05611	2.8
162.03218	6.8
166.02722	23.2
176.01076	5.5
177.01888	4.7
177.05511	6.6
181.05063	20.5
191.03435	3.8
192.04231	6.7
193.05008	6.3
205.05037	2.9
207.06645	9.0
223.06102	3.2
229.26407	2.2
291.16519	2.9
371.11374	43.3
372.11954	11.3
386.13815	12.0
387.14478	28.2
388.15170	2.9
481.48947	2.5
759.26483	40.2
760.26947	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	847.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.6
61.98824	3.5
63.59139	0.8
63.96244	2.3
69.03441	0.9
69.34452	0.7
70.75613	1.1
70.75942	1.0
71.01378	8.1
73.02950	2.5
75.26701	0.6
78.98594	7.6
79.95728	16.4
80.96515	100.0
81.03453	1.3
82.96109	1.3
85.02951	3.7
87.00893	3.5
92.84772	0.6
94.98085	23.6
96.96010	2.8
97.02950	1.1
101.02438	2.3
106.98100	4.3
121.27840	0.7
122.97586	4.5
125.02446	4.0
127.03999	1.1
127.76256	0.7
134.97581	8.0
136.99123	1.8
146.97650	0.9
148.99124	7.6
152.98631	6.7
160.13564	0.7
164.98621	13.9
164.99892	1.3
203.25920	0.7
206.99654	3.2
225.00722	21.0
226.01054	0.9
255.23309	1.6
283.05127	0.9
291.19489	0.7
389.59357	0.8
537.27460	1.9
591.24646	2.5
847.48706	96.7
848.49115	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	848.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
61.98829	100.0
63.21280	0.1
70.61526	0.2
70.61897	0.3
71.01392	0.1
81.96391	0.1
83.88506	0.1
131.75354	0.1
154.94954	0.1
173.04572	0.2
393.18454	0.2
397.13556	0.4
442.68866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01722	0.8
61.98817	0.3
68.99797	0.7
69.95238	1.1
75.61381	0.3
81.03420	0.5
93.03462	0.6
95.01389	4.9
98.20574	0.4
105.03461	0.4
107.05032	0.7
107.45123	0.3
108.02164	2.2
109.02983	2.4
111.00875	0.9
112.62285	0.3
121.02955	2.2
122.03735	0.8
123.00883	21.4
123.04474	0.6
124.01697	0.6
125.02446	0.4
133.02956	1.0
133.06590	0.4
135.04483	1.4
136.01640	3.0
137.02441	1.8
137.06128	0.3
147.04492	0.5
149.02467	1.2
150.03281	0.6
151.04022	1.5
159.04601	0.5
161.02473	0.6
161.06075	0.4
163.04057	0.8
175.03970	0.9
176.04794	0.7
177.01920	1.3
177.05566	0.9
182.72963	0.3
187.04034	0.6
190.06218	0.3
191.03429	0.3
199.01056	0.3
205.05070	0.6
313.07352	0.3
313.10764	0.6
327.08841	0.6
341.06622	0.4
341.10394	0.5
343.11829	2.9
355.08179	0.5
370.10605	1.2
371.11304	16.1
372.11917	2.4
373.12823	0.4
385.08563	0.5
385.12958	5.7
386.13058	0.4
401.12421	0.7
427.83423	0.3
437.76639	0.3
489.21783	0.3
508.13831	0.4
625.68048	0.4
655.25464	0.6
681.22839	0.5
683.25012	0.5
709.22931	0.4
727.23627	1.2
757.24921	39.3
758.25262	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	846.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45066	0.3
61.98830	100.0
62.40851	0.3
63.38188	0.4
71.01384	0.7
71.53679	0.4
76.52843	0.4
83.01426	0.4
95.01383	0.4
104.03551	0.7
108.85088	0.4
109.02966	1.7
116.92837	0.5
123.00901	0.6
124.01703	0.4
125.02452	0.5
136.01662	1.8
137.02444	2.9
149.02380	0.5
151.04059	1.5
159.04512	0.5
162.03246	0.6
163.04024	1.5
170.50810	0.4
177.05588	0.6
177.27556	0.4
179.03513	0.6
187.04138	0.4
193.05092	0.4
194.60690	0.4
200.36470	0.4
209.14156	0.4
342.11072	2.4
343.11804	3.7
371.11304	14.7
372.11819	1.4
373.13126	0.4
411.18298	3.4
692.81696	0.4
755.31915	0.5
766.30725	0.4
783.31415	0.9
832.38483	0.5
850.25604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98523	0.1
71.54692	0.2
73.78519	0.2
78.95943	0.2
83.01386	0.2
93.03476	0.2
95.01411	0.5
109.02943	1.5
109.10087	0.1
121.02964	0.4
122.03716	0.2
123.00896	0.9
123.04533	0.3
124.01669	0.3
125.02460	0.3
133.02986	0.2
135.04494	0.2
136.01645	1.1
137.02437	2.4
138.03175	0.2
147.04601	0.2
149.02423	0.4
151.03984	1.0
158.07582	0.1
159.04579	0.4
161.02495	0.3
162.03246	0.5
163.04068	1.0
175.04027	0.4
177.05629	0.6
179.03488	0.2
187.04053	0.5
187.78847	0.1
190.06363	0.2
193.05103	0.2
205.05099	0.3
229.53368	0.2
262.59225	0.1
277.21750	0.2
292.40897	0.1
342.11093	1.3
343.11752	1.5
344.12234	0.2
355.08505	0.2
371.11337	13.7
372.11728	1.6
411.18149	2.0
412.18463	0.2
468.39929	0.1
502.28162	0.1
765.28558	0.2
783.30676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
59.06381	0.4
67.01873	0.6
69.81049	1.0
69.81466	1.8
71.01362	0.6
81.03460	5.4
83.01374	3.5
85.02942	2.6
87.00883	0.5
87.47549	0.5
88.65221	0.5
93.03470	1.3
95.05034	5.6
97.02961	1.4
98.20674	0.5
99.04514	2.8
100.92820	0.6
105.03442	0.6
109.02946	0.6
121.02939	0.9
122.03725	1.3
123.04512	8.8
125.02444	12.0
131.48030	0.5
135.04510	2.6
137.02533	0.7
137.06076	8.8
139.04021	3.1
141.05571	1.5
149.02426	1.9
161.02451	0.9
163.03986	2.3
165.05524	3.4
167.03490	30.2
168.03833	1.0
168.50279	0.4
173.04527	1.8
179.03484	7.6
180.04234	1.7
181.05075	2.1
189.01968	0.6
191.03511	9.2
191.05606	18.3
193.05037	1.3
197.04527	0.6
205.05081	3.6
207.03024	1.2
208.03665	0.5
209.04538	100.0
210.04866	5.2
221.04503	1.3
223.06068	0.8
233.04524	20.3
234.04861	1.8
239.05612	3.2
251.05598	5.0
263.05551	2.8
273.62296	0.5
275.05594	0.9
289.16895	0.5
294.62057	0.5
311.07721	1.7
329.08835	1.3
353.08655	3.8
371.09796	81.0
372.10202	7.3
401.11075	1.8
491.14032	56.3
492.14426	5.6
541.13306	0.5
765.43359	0.6
819.01135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98542	0.2
68.04044	0.1
71.54467	0.1
87.05690	0.1
109.02998	0.3
116.92847	0.2
123.00845	0.2
129.10374	0.4
137.02461	0.6
139.08829	0.2
151.04044	0.2
163.04033	0.2
207.15114	0.3
224.17795	0.2
227.29674	0.2
242.18727	0.2
262.47559	0.1
295.21597	0.2
337.25632	0.2
371.11337	3.0
401.62460	0.1
411.18051	0.3
591.97906	0.2
782.51892	4.2
783.29828	0.2
783.51941	0.9
845.52246	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.2
59.55647	0.5
67.01895	0.6
69.03463	1.0
71.01399	1.8
73.02938	0.9
75.68848	0.6
81.03455	4.6
82.89948	0.6
83.01369	6.8
84.48802	0.6
85.02943	2.8
92.72462	0.7
93.03460	2.7
95.01366	1.3
95.05011	3.6
96.66051	0.7
97.02955	1.9
99.04522	1.6
99.28248	0.6
101.02416	0.9
107.05046	1.1
109.02959	1.7
109.06574	0.7
111.04523	1.6
113.02460	1.0
119.05014	1.4
121.02963	2.8
121.06617	0.7
122.03692	0.8
123.04535	14.6
125.02450	7.6
131.18466	0.6
135.04550	4.8
137.02435	2.2
137.06059	4.4
139.04001	7.1
141.05673	0.8
147.04541	1.5
149.02397	1.0
149.06105	0.8
151.04010	2.6
153.05544	2.3
155.03474	0.9
161.06070	0.9
163.04065	3.6
164.04720	1.1
165.01949	1.4
165.05545	4.3
167.03497	23.0
172.36600	0.6
173.04547	4.7
177.05534	1.6
179.03497	7.2
179.07140	0.8
180.04131	0.7
181.05057	1.9
189.05547	1.9
191.03618	0.5
191.05664	2.9
193.01384	0.7
193.05101	3.9
196.71213	0.6
197.04584	3.1
201.05450	0.7
206.02104	0.8
207.06583	1.4
209.04544	41.2
210.04961	1.6
219.03046	0.7
219.06799	0.7
221.04547	9.7
223.06102	1.1
233.04536	1.4
235.06100	2.7
239.05565	13.2
240.06021	0.9
248.03229	1.2
249.04012	1.7
251.05603	100.0
252.05946	5.1
263.05624	4.5
265.07104	0.9
269.06628	1.5
275.05594	0.6
281.06677	63.3
282.07028	4.1
293.06686	3.5
311.07715	16.3
323.07599	1.0
353.08798	8.0
354.08862	1.1
371.09824	46.1
372.10114	3.8
383.09909	3.7
401.10785	3.8
439.94467	0.6
443.19666	0.7
473.13043	3.7
491.14063	80.5
492.14471	9.5
533.72302	0.6
536.51947	0.7
607.51007	0.7
782.50562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.35571	0.3
69.82433	2.0
71.01407	0.5
77.41304	0.3
81.03455	4.5
83.01393	3.5
83.60256	0.4
85.02958	1.3
93.03456	1.0
95.05023	5.8
97.02973	1.2
99.04534	1.7
105.03479	0.4
121.02961	0.6
122.03734	0.5
123.04524	8.2
125.02454	11.8
126.02802	0.4
134.69429	0.4
135.04536	1.8
137.02467	1.1
137.05112	0.7
137.06085	8.5
139.04015	2.0
141.05626	1.0
147.04527	0.6
149.02431	1.4
151.04019	0.6
161.02426	0.6
163.00415	0.4
163.03979	1.5
165.01901	0.8
165.05580	3.2
167.03493	28.3
168.03786	1.1
173.04474	0.9
175.00357	0.5
179.03499	5.0
180.04257	2.4
181.05005	1.9
189.05495	0.5
191.03510	8.1
191.05603	14.1
192.05928	0.7
193.05057	0.4
205.05069	3.9
206.02333	0.5
207.02904	1.2
208.03770	0.6
209.04546	100.0
210.04887	5.3
217.01236	0.5
221.04565	1.9
223.06161	0.9
233.04547	19.8
234.04872	1.3
239.05602	3.1
241.39359	0.4
251.05615	4.7
252.06000	0.4
263.05600	2.3
271.52518	0.4
275.05511	0.7
283.04181	0.4
311.07608	2.0
329.08853	1.2
353.08609	2.5
371.09818	75.5
372.10172	7.1
401.10776	1.6
402.11169	0.4
491.14053	51.7
492.14365	6.4
688.07196	0.4
690.79413	0.5
701.98285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.0
60.31400	0.4
62.82804	0.4
63.02378	0.4
65.00327	0.8
66.06086	0.3
69.84461	2.1
70.89052	0.4
71.01373	1.3
76.86822	0.4
83.01380	0.7
85.02950	1.8
89.02392	0.5
101.02445	1.0
107.01409	2.3
108.02174	0.8
109.02965	0.9
111.00887	0.4
121.02950	1.4
124.01737	0.5
125.02400	0.6
129.02016	0.4
135.00896	0.7
135.04486	0.7
148.01724	0.5
149.02388	0.4
151.00369	8.0
163.00365	1.8
166.02690	0.5
167.03470	0.6
178.99870	4.2
179.05589	0.5
181.05029	0.5
187.03896	0.5
191.01930	0.6
203.11072	2.0
209.04523	0.5
211.03902	0.4
215.03432	0.4
216.04144	0.6
217.98796	0.5
226.02663	0.9
227.03494	1.6
243.02966	4.7
245.04398	0.6
250.50534	0.4
254.02257	1.1
255.02980	15.4
256.03394	0.7
271.02469	29.1
272.02960	2.8
273.04077	0.6
283.02255	0.5
293.16171	1.1
299.02054	0.5
300.02747	70.2
301.03476	34.3
302.03989	2.2
333.13657	1.0
334.14020	0.7
335.13220	0.6
335.17096	0.7
379.16306	0.4
380.09973	0.5
383.94733	0.4
404.64328	0.5
427.09903	0.5
454.47116	0.5
463.08817	100.0
464.09137	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	841.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01714	1.3
61.98826	2.7
66.60291	0.7
67.20711	0.7
68.99802	0.7
69.03455	1.9
70.48315	2.4
70.48697	1.0
71.01379	39.8
72.99316	1.8
73.02950	8.1
75.00900	1.2
79.83300	0.7
81.03455	1.6
83.01387	7.1
85.02950	22.4
86.00093	1.1
87.00880	4.3
89.02446	9.3
93.03477	1.2
95.01397	5.3
96.96010	1.4
97.02959	5.5
99.00878	4.6
99.04482	1.2
101.02440	23.1
101.22978	0.7
111.00895	2.2
112.01707	1.8
113.02452	25.2
115.04049	1.2
117.10717	0.8
119.03528	3.4
124.01685	4.1
125.02440	13.5
129.01889	0.8
131.03526	1.2
133.56738	0.7
135.04518	1.4
141.02036	0.9
143.03496	4.6
148.88329	0.7
149.04605	1.0
151.04044	1.1
159.03024	1.2
161.04549	4.1
162.67630	0.6
173.04575	1.5
187.22322	0.8
191.05563	3.4
197.15530	1.1
223.20488	0.8
246.60149	1.0
257.59027	0.8
299.26022	2.2
320.57675	0.8
345.30136	6.5
489.34372	8.1
505.18320	1.2
507.35373	5.0
517.18890	1.1
535.19067	0.9
597.36487	1.6
615.38062	2.6
633.38513	38.3
634.38983	6.6
651.39551	58.9
652.39819	10.5
669.40698	17.5
669.51337	1.0
670.41388	2.2
693.40674	33.3
694.41003	6.6
711.41742	39.9
712.41986	8.5
753.42896	7.5
754.43726	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
67.01888	0.5
70.55054	0.9
71.01364	1.0
73.02985	0.5
74.02473	3.4
75.00854	0.4
76.69073	0.4
77.62000	0.3
81.03478	0.8
83.01388	0.5
85.02953	1.9
86.02483	1.8
87.05631	0.6
93.03468	0.4
95.01440	0.8
96.96012	0.6
97.01180	1.2
97.04057	0.4
99.05629	3.4
101.07225	0.6
109.02977	1.0
109.04086	0.4
113.02436	0.8
115.05532	3.4
119.05013	0.6
121.02968	1.5
123.00869	3.7
124.01659	0.8
125.02441	1.1
125.03571	0.7
126.98592	1.3
128.03546	12.0
129.01947	0.5
131.05067	0.5
131.07109	0.6
133.02910	0.5
135.04555	0.7
135.05664	1.0
136.01692	0.9
137.00703	0.4
137.02446	3.9
138.98616	2.3
139.99387	2.3
140.99103	0.8
141.00168	9.6
141.06673	0.8
143.04623	15.4
145.02942	0.6
145.06189	0.7
146.04594	1.0
147.02917	0.4
149.02460	1.0
151.04018	0.8
153.00117	0.9
153.03812	1.7
154.00963	1.4
154.98088	4.6
155.98877	13.7
156.99631	0.9
159.04478	1.9
160.00746	0.9
163.03961	0.6
166.09860	0.5
167.03432	0.5
167.98849	1.2
168.99652	20.6
170.00401	3.6
173.08202	0.6
175.03987	1.6
176.01137	0.7
177.00510	0.4
177.01915	2.0
177.03336	0.5
178.98111	0.6
179.04657	2.6
179.98837	1.2
180.99660	3.3
181.03333	0.4
181.06259	0.6
182.00481	3.2
184.99170	0.6
187.04018	4.6
188.04649	0.6
189.01949	0.4
191.01852	0.8
191.05629	1.7
191.98871	0.7
192.07773	0.5
192.99596	1.4
193.03261	1.6
193.04965	0.5
194.00449	3.2
195.01024	0.6
204.99626	1.0
206.00407	2.7
207.01144	1.3
207.06657	1.0
207.98322	0.9
208.02026	2.6
208.99174	3.4
209.02702	1.8
209.04501	0.5
209.99899	6.5
210.08876	2.3
211.00647	0.5
211.04388	0.5
219.01187	2.2
219.03082	0.6
220.01976	3.3
221.02776	8.7
221.04750	0.8
222.03014	0.6
233.10057	0.3
237.02409	1.0
238.03146	1.9
239.03777	4.1
242.02295	0.4
253.01906	0.5
254.07823	6.4
254.10378	0.7
272.08881	37.8
273.09265	1.8
293.04553	0.8
306.07709	5.8
308.06866	0.7
311.09372	0.5
318.05557	0.9
323.09219	1.4
327.05200	0.8
342.05219	0.5
348.85504	0.4
355.06577	0.4
371.11273	1.3
373.07626	0.6
375.08963	1.4
376.09641	0.9
377.10614	1.0
377.18265	3.3
387.08954	0.9
403.08820	0.6
404.09351	9.8
405.10049	16.3
406.10489	1.1
447.09167	1.1
448.09790	0.6
521.42706	0.5
567.15417	100.0
568.15717	14.1
840.24591	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	839.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	20.4
61.98817	3.9
65.72186	1.8
71.01384	17.6
71.54123	2.7
73.02943	18.7
73.03314	2.6
77.04678	1.7
78.95848	3.0
83.01374	2.5
85.02940	5.2
89.02457	5.7
99.00888	2.4
99.77168	2.1
101.02407	10.3
108.02159	5.1
110.84648	2.1
113.02432	7.9
116.92847	3.5
119.03453	3.7
121.02939	3.2
123.04515	3.3
125.06091	3.6
134.85466	1.7
136.01649	24.8
139.07651	2.4
140.35457	1.8
143.76840	1.8
151.04004	31.0
161.04543	4.1
187.03976	2.0
201.11276	2.8
202.11490	2.1
203.07120	5.7
214.52292	2.0
232.98219	1.7
240.70590	1.8
248.99045	2.0
251.07559	2.0
261.05460	3.4
263.07184	3.5
263.23743	3.9
273.22174	11.4
275.90518	1.9
277.21716	100.0
278.22165	9.7
279.06577	11.3
289.21646	2.9
291.19986	4.2
291.23291	76.6
292.20441	2.2
292.23553	6.2
294.09061	4.8
301.21756	12.3
309.11298	21.7
319.19385	3.5
319.22809	46.8
320.23038	3.0
339.12457	17.2
340.12543	2.1
342.10788	2.8
349.23776	4.7
357.13443	29.8
358.13586	3.8
379.24857	3.2
381.13388	6.1
541.13373	1.9
761.38885	11.4
762.38715	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	839.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01695	1.7
61.98825	2.1
64.74683	0.9
69.03451	3.2
71.01379	58.9
71.05009	2.1
72.98857	0.8
72.99301	3.7
73.02940	13.3
75.00885	1.6
75.27871	0.8
83.01385	8.9
85.02950	35.8
85.03465	1.8
86.00078	2.1
87.00871	5.3
89.02451	15.0
93.03438	3.1
95.01388	8.3
96.96013	3.4
97.02969	6.5
98.20759	2.2
99.00867	7.5
101.02441	31.5
109.02939	1.3
111.00854	3.1
112.98598	1.4
113.02445	40.7
114.02757	1.4
116.92694	1.1
119.03510	5.9
121.02947	5.1
124.01642	4.2
125.02443	13.5
129.01947	2.0
133.03023	1.3
133.45770	1.0
134.03755	1.6
135.04521	1.6
137.02391	1.7
141.01892	1.2
142.02711	1.2
143.03481	5.8
143.10774	4.9
159.03011	1.6
161.02362	1.6
161.04535	10.4
165.05533	1.0
173.04477	1.4
175.04019	1.0
176.33478	0.9
178.02702	1.0
178.72160	0.9
191.05591	6.1
209.11746	1.2
211.16995	1.3
235.96848	1.0
248.06613	1.0
275.09277	1.9
283.06097	1.5
311.05566	3.6
313.27408	1.2
325.27444	3.0
343.28619	4.5
407.13223	1.8
426.18747	1.0
431.09769	5.4
451.14520	1.1
469.31741	4.9
487.32764	16.9
488.33084	3.0
505.33871	6.3
529.33838	2.2
547.34619	2.1
595.34814	3.0
613.35999	2.2
631.36914	46.8
632.37292	7.4
649.37982	72.9
650.38214	11.3
667.39160	20.6
668.40082	2.2
691.39001	38.3
692.39581	6.3
709.40070	50.3
710.40393	10.1
751.41077	8.6
752.41461	2.7
812.75208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4046
Annotation	Khekadaengoside B
Peak:m/z	Relative Intensity
59.01376	39.9
61.10128	0.4
61.98813	1.3
67.01887	1.1
68.99821	0.6
69.03442	3.9
71.01379	93.7
71.54871	0.9
72.01705	1.0
72.99309	3.5
73.02942	26.2
75.00869	1.5
81.03457	2.9
83.01385	11.9
83.05022	4.7
84.01727	0.5
84.02180	1.1
85.02946	40.4
87.00883	4.9
87.04486	0.4
89.02439	25.7
93.03455	11.2
95.01380	8.3
95.05031	2.4
97.02940	6.7
99.00874	10.1
99.37076	0.4
101.02435	66.4
102.02818	0.8
103.03976	0.4
108.02140	0.6
109.02956	0.7
111.00879	3.0
111.04519	4.4
112.98680	0.5
113.02444	31.4
115.04005	0.8
116.92820	0.5
117.03350	0.5
119.03498	12.0
121.02058	0.5
121.02943	8.8
121.06545	0.6
123.04512	2.0
125.02445	9.7
129.01927	1.3
131.03481	2.7
133.02899	0.4
134.03738	0.9
137.02420	0.7
139.03998	1.7
141.01971	1.1
143.03482	6.7
145.05035	0.6
149.04547	0.9
149.06065	3.6
159.02992	5.0
161.04546	26.8
162.04926	1.0
169.12285	1.0
173.04616	0.5
179.05608	8.0
191.05557	1.6
205.03525	0.5
209.11813	1.3
221.06619	5.4
231.96350	0.4
233.06688	1.5
245.06664	2.4
247.17049	0.7
249.18614	0.9
250.22240	0.5
263.07706	4.6
275.09326	1.2
283.06143	0.8
311.05521	1.2
323.09796	11.7
324.10071	0.5
343.11145	0.5
351.57651	0.4
371.22440	0.6
431.09906	2.0
435.14911	0.8
464.44629	0.5
497.29318	1.4
515.30145	16.7
516.30780	2.2
631.36591	0.9
649.37872	1.4
677.35327	29.1
678.35864	5.6
691.39355	0.8
709.40076	0.8
821.37872	0.9
839.40607	100.0
840.40997	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	836.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.1
60.01707	0.6
61.01813	0.3
61.98830	100.0
71.54051	0.3
72.99354	0.2
78.95905	0.5
82.81921	0.2
97.81216	0.2
123.00912	0.2
271.93628	0.2
288.04230	0.3
363.26956	0.2
368.49277	0.2
371.11731	0.3
372.11285	0.2
408.26669	0.2
746.27423	0.4
836.55188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
65.95937	0.1
71.16444	0.1
71.16776	0.1
73.71789	0.1
79.95747	0.1
80.96517	0.3
94.98111	0.1
96.18522	0.1
108.47006	0.1
169.17317	0.1
234.94441	0.1
242.59186	0.1
485.72528	0.1
709.61523	0.1
779.20868	0.1
837.48920	0.4
849.46283	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	839.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
59.21732	0.1
63.02397	0.4
70.30140	0.4
71.01365	0.2
83.75507	0.1
85.02929	0.2
89.02464	0.2
93.03413	0.2
95.05020	0.3
96.02176	0.2
97.02952	0.3
98.19848	0.2
99.04716	0.1
101.02436	0.3
109.02956	0.6
110.47777	0.1
113.02431	0.2
123.04523	0.5
124.01666	33.8
124.16740	0.1
125.02045	0.8
135.04568	0.2
137.02452	0.2
138.03261	0.2
139.04016	100.0
140.04355	2.8
149.02502	0.2
149.04558	0.3
151.04062	0.3
163.04033	1.0
165.01865	0.2
165.05777	0.1
167.03484	0.4
173.04610	0.2
179.03510	0.4
181.05119	0.3
195.06645	0.5
203.07211	0.3
245.08205	0.5
289.07202	3.3
290.07431	0.2
343.10324	13.9
344.10614	1.2
387.09348	0.2
428.74332	0.2
451.12524	0.5
464.24451	0.1
502.51532	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01714	0.8
61.98827	0.9
69.03455	0.5
71.01381	11.4
71.54935	0.4
72.99355	0.5
73.02952	3.8
83.01388	2.1
85.02949	10.9
87.00907	0.5
88.34505	0.3
88.98814	0.8
89.02447	2.2
95.01401	0.7
99.00897	1.4
101.02441	6.5
101.03091	0.4
109.02948	0.5
111.00885	1.0
113.02447	5.1
113.03162	0.5
116.92855	0.5
119.03524	0.5
119.05025	0.6
121.03000	0.4
123.04567	1.2
125.02474	1.2
129.01953	2.2
130.42656	0.4
131.03520	0.4
135.04541	0.7
137.02443	0.7
140.67108	0.4
143.03493	0.6
147.03032	0.7
149.02510	0.4
149.04587	0.6
151.04030	0.4
152.01152	0.6
155.10811	0.4
159.02895	0.6
161.02534	0.6
161.04561	4.5
163.04057	0.4
165.05576	0.4
167.03471	1.7
173.00958	0.9
191.02025	0.4
191.05598	0.5
209.04585	1.1
243.17671	0.4
269.15387	0.5
287.16595	1.1
297.06226	0.5
329.03372	0.4
331.17599	9.9
331.21237	0.5
332.18341	0.8
341.05325	0.8
345.39426	0.4
350.13989	0.4
373.18674	7.5
373.23129	0.4
374.19189	1.0
493.20898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.5
59.01381	100.0
60.01719	0.9
64.45242	0.2
69.03468	0.4
70.92281	0.4
70.92639	0.2
71.01384	16.8
72.01718	0.3
72.99320	0.7
73.02946	10.1
75.00878	0.3
81.03477	0.4
81.07105	1.1
83.01398	3.2
85.02958	5.2
86.00094	1.8
86.00540	0.2
87.00881	2.3
87.04510	0.4
88.98798	0.3
89.02450	7.3
95.01392	1.0
97.02962	0.4
99.00879	1.2
101.02448	14.5
101.06100	1.1
109.02979	0.2
111.00911	0.2
113.02449	7.5
114.02793	0.2
119.03511	3.1
123.04601	0.2
125.02464	0.7
129.02020	0.4
131.03505	1.3
134.06139	0.3
135.04546	0.3
143.03520	1.7
149.04584	2.3
159.03032	0.6
159.06631	5.4
159.57932	0.2
160.07033	0.3
161.04561	7.9
177.62863	0.2
179.03439	0.3
179.05644	1.4
203.05650	1.4
211.71249	0.2
221.06598	1.3
224.03514	0.2
249.09857	1.3
253.09973	0.3
291.10843	4.1
295.15604	0.5
313.16583	7.2
314.17081	0.6
331.17606	6.5
332.17993	0.6
355.17599	2.8
356.18039	0.4
372.54251	0.2
373.18674	10.4
374.19244	1.0
488.12100	0.2
771.29333	0.4
803.32233	0.9
835.34088	0.9
836.34436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	1.5
59.01383	75.0
60.01683	1.0
61.98817	1.7
63.83912	1.0
64.04460	0.8
69.31475	8.8
71.01388	31.8
72.99313	1.2
73.02946	26.0
75.00881	1.0
80.05070	3.1
83.01389	9.6
85.02940	8.4
87.00872	1.4
89.02448	17.5
95.01382	1.3
101.02448	30.9
106.06634	4.4
113.02459	15.2
119.03517	4.9
122.06124	8.5
131.03535	2.8
132.04584	2.3
134.06126	22.9
136.07692	1.2
143.03542	2.5
144.39131	1.2
146.06136	1.1
148.04070	1.7
149.04587	6.3
150.05566	1.4
152.07167	5.7
160.04030	1.4
160.06377	0.9
160.47018	1.1
161.04570	11.3
174.05612	1.5
180.06688	1.9
188.07210	1.8
190.05019	1.1
203.05640	1.0
211.08823	1.8
213.10316	6.3
221.06697	4.0
225.10353	4.5
237.10426	1.7
239.08165	1.1
239.12021	6.6
241.13460	4.1
248.09538	1.2
249.10345	3.0
251.08229	2.4
251.11920	3.0
253.09792	5.4
261.10373	1.3
262.07645	1.2
263.08218	3.3
264.08987	2.3
265.09857	4.3
266.10620	1.2
267.11249	5.8
277.09799	5.4
278.07199	1.1
278.10550	3.5
279.07718	4.0
279.11374	6.7
285.12378	8.6
291.07846	1.7
291.11026	1.1
292.08536	3.1
293.09341	8.6
293.12750	1.8
294.09967	4.4
295.11005	7.0
305.09381	3.1
306.10007	1.4
307.10837	5.3
314.12424	1.8
321.08798	2.0
337.08264	1.5
339.09848	4.7
340.14313	1.2
351.09930	2.6
357.14792	1.5
358.15692	2.5
370.11713	1.4
372.17178	1.8
384.13324	2.7
397.14243	1.5
398.15048	1.7
400.16797	5.4
412.16595	3.8
426.14359	1.3
440.16348	1.3
458.17371	2.1
468.15820	2.3
486.16638	3.4
620.22601	2.9
638.23724	8.0
648.22290	4.6
666.23071	25.6
667.23505	3.2
680.24207	1.9
685.28674	1.2
698.25989	2.7
712.26904	5.9
713.27930	1.9
727.29572	5.2
728.31433	1.2
771.28833	38.8
772.28931	6.5
803.31445	100.0
804.31726	20.9
835.34039	30.3
836.34570	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	835.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.5
58.13842	0.2
59.01382	100.0
60.01711	1.3
69.03468	0.5
69.53950	1.2
71.01384	14.0
72.01741	0.4
72.99325	0.8
73.02950	12.1
75.00888	0.3
83.01395	4.0
85.02955	3.2
87.00904	0.6
89.02443	6.8
95.01403	0.9
96.68999	0.2
97.02940	0.3
99.00906	0.2
101.02444	12.9
102.02803	0.4
113.02461	7.3
114.02832	0.2
119.03506	2.7
125.02473	0.5
131.03516	1.0
135.04489	0.2
137.02548	0.2
143.03513	1.3
149.04572	2.1
155.03462	0.3
161.04559	4.8
179.03397	0.2
179.05669	0.7
194.48352	0.2
203.05730	0.6
221.06744	1.3
255.02756	0.2
271.02609	0.5
300.02625	1.0
301.03555	0.8
313.16574	2.4
314.16830	0.2
331.17654	2.9
331.21338	0.3
352.64661	0.2
373.18655	16.8
374.18994	1.6
447.09271	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	834.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
61.98832	100.0
65.59117	0.2
70.03043	0.9
78.95913	2.0
89.02448	0.2
96.96967	0.6
116.57034	0.2
127.19423	0.2
152.99637	0.6
164.48593	0.2
223.00223	0.2
241.01279	0.8
255.23247	1.9
256.23730	0.2
258.25241	0.2
279.23300	1.2
396.25525	0.3
637.16541	0.2
743.22620	0.3
744.23621	0.5
809.62091	0.2
833.51678	2.4
834.52075	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98830	100.0
62.98542	0.2
69.46301	0.7
69.46718	0.3
71.01374	0.2
78.95916	0.5
80.65622	0.1
85.30611	0.1
86.68181	0.1
88.00401	0.2
89.02465	0.3
96.96991	0.2
98.20538	0.2
116.92832	0.2
135.53905	0.1
141.57982	0.1
142.76256	0.1
152.99661	0.2
164.79189	0.1
167.33525	0.1
191.05717	0.1
197.11787	0.2
207.10533	0.1
209.11833	0.1
227.60725	0.1
244.54520	0.1
255.23352	0.3
256.23694	0.2
279.23242	0.3
834.52179	0.7
835.53351	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
71.01393	0.8
71.55021	0.3
73.02953	0.5
85.02948	0.3
87.00892	0.3
89.02445	3.6
93.03444	1.1
101.02429	0.3
103.04020	0.4
106.51133	0.2
107.73431	0.2
119.05025	48.8
120.05363	1.6
121.02914	0.2
127.57933	0.3
131.03491	1.5
135.04541	0.6
137.02505	0.3
149.04550	17.5
150.04805	0.3
163.04002	100.0
164.04333	4.8
164.05612	0.3
165.18983	0.2
191.05602	1.1
295.08203	16.8
296.08441	1.3
297.04089	0.3
299.05618	0.4
327.05081	2.6
327.08768	0.9
328.05450	0.5
357.06131	0.4
367.78314	0.2
447.09314	2.1
448.09439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91949	0.1
59.01381	100.0
60.01711	1.0
61.98840	0.4
69.45538	0.4
69.45960	0.7
73.11017	0.1
78.95903	1.1
88.70081	0.1
94.33730	0.1
95.01392	1.0
96.96949	0.3
107.05041	0.2
108.02206	0.1
109.02988	0.3
116.92861	0.2
121.02975	1.1
122.03793	0.2
123.00888	5.3
132.97772	0.2
135.04553	0.2
136.01672	0.2
136.73611	0.1
137.02477	0.4
149.02481	0.3
152.99580	0.2
163.03990	0.2
177.01921	0.2
205.74440	0.1
241.01212	0.4
255.23259	0.7
267.15381	0.2
279.23257	0.4
294.39670	0.1
343.11935	0.3
356.12857	1.0
371.11176	3.3
371.15240	0.6
372.11905	1.3
401.12399	0.3
453.19208	0.2
491.97931	0.2
494.15955	0.4
516.90552	0.2
595.54889	0.2
743.27051	5.7
744.27411	1.3
776.51062	0.2
832.50922	0.4
833.52026	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01734	1.0
61.98836	3.1
64.82346	0.3
65.52864	0.4
71.54195	0.8
78.14658	0.3
78.95900	3.9
80.45748	0.3
82.69040	0.4
95.01418	1.2
96.96976	0.8
98.36757	0.3
99.92617	0.6
109.02947	0.5
116.92874	6.6
117.92864	2.6
118.92706	1.7
121.02995	1.7
123.00896	5.2
137.02473	0.5
151.04016	0.5
152.99646	1.3
158.76802	0.4
196.73500	0.4
241.01305	1.7
255.23331	2.5
256.23737	0.4
279.23331	2.0
331.89163	0.4
346.74872	0.5
356.12796	1.0
371.11285	3.9
371.15366	0.6
372.12268	1.3
383.82614	0.4
416.41516	0.4
743.27136	5.8
744.27856	1.7
832.51550	1.2
833.51624	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	831.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.3
70.00237	1.0
78.95905	78.8
80.96507	2.1
88.27120	0.5
96.96964	17.3
104.37148	0.4
122.27754	0.4
132.78625	0.4
134.98587	1.2
150.98053	0.6
152.99588	20.1
197.76952	0.5
217.00270	0.6
223.00125	7.9
224.00493	0.5
225.00867	0.4
241.01181	33.3
242.01479	0.9
253.21754	1.5
255.23286	55.5
256.23615	4.1
259.02246	2.2
259.20416	0.6
277.21710	34.4
278.22028	3.7
279.23224	1.7
297.03912	1.9
315.04849	0.9
355.86816	0.5
391.22592	7.0
392.22626	0.5
413.21115	1.2
553.27734	5.3
571.28424	0.8
575.26208	0.8
831.50275	100.0
832.50562	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.3
61.98827	0.7
65.00320	0.5
71.01380	1.9
73.02944	0.9
83.01392	1.2
85.02943	1.7
89.02440	0.9
91.01898	0.9
93.02911	0.4
93.03461	1.7
99.00896	0.5
101.02430	1.5
106.70100	0.4
107.01385	1.5
108.02204	1.0
109.02964	1.1
111.00838	0.5
113.02448	0.8
119.03499	0.5
121.02972	2.4
124.01708	0.5
125.02402	1.1
133.74667	0.5
134.03746	1.1
135.00760	0.5
135.04526	0.6
137.02444	3.2
137.06067	0.5
149.02446	1.8
151.00359	7.5
151.04007	6.7
152.01152	0.4
153.05588	0.6
161.02487	0.6
161.04622	0.8
162.60159	0.4
163.00301	2.0
164.04768	1.4
167.03473	1.8
173.04568	0.5
178.99872	4.2
179.03612	1.0
179.05484	1.0
191.03725	0.4
191.05573	0.9
193.05046	1.0
209.04556	1.7
211.03960	0.5
218.97365	0.5
223.06123	2.1
226.02759	0.6
226.87106	0.4
227.03542	1.7
229.05051	0.5
243.00682	0.8
243.02959	5.5
244.03537	0.6
245.04544	0.9
254.02185	1.2
255.00220	0.8
255.02962	15.0
256.03406	1.8
260.19965	0.4
271.02472	34.6
272.02972	2.7
273.04041	0.7
281.06616	2.0
283.02426	1.2
299.02054	0.9
300.02744	69.2
301.03473	39.0
302.03839	3.1
323.07748	0.7
347.16956	0.7
355.10233	2.2
371.09732	0.5
383.12521	1.2
389.18289	1.2
433.07727	100.0
434.08063	10.2
849.16107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	29.7
61.91080	0.8
71.01379	3.6
73.02936	3.1
77.03950	1.6
85.02934	2.6
87.00869	2.2
89.02439	12.1
92.34387	0.7
92.85290	0.7
93.03460	3.0
98.19908	2.4
101.02401	1.4
103.03999	1.2
105.01897	2.1
105.03477	1.4
107.01362	0.7
117.03465	7.5
119.05030	1.5
121.02943	2.7
123.04552	1.2
123.73135	0.7
125.02402	0.8
131.03485	3.7
133.02904	2.1
135.04520	2.5
139.18336	0.9
149.02452	4.4
149.04550	57.8
150.03261	4.4
150.04857	1.2
151.00401	0.9
152.01160	1.3
159.04526	2.1
161.02496	4.9
161.13338	1.4
163.00331	1.8
163.03964	3.2
165.01936	0.8
165.05606	5.5
166.05920	1.2
167.03456	1.0
173.02425	1.0
175.04065	0.8
177.01884	1.1
177.05638	0.8
191.03447	1.3
191.05573	3.3
195.06563	3.1
211.07550	0.8
215.07115	1.1
223.13374	21.2
224.13680	1.7
225.05585	1.0
239.07051	1.6
255.02982	1.0
267.12363	7.2
268.03699	2.5
269.04550	2.5
281.04565	12.2
282.05103	2.2
283.06091	43.3
284.03494	0.9
284.06390	3.1
293.04550	2.0
299.05530	2.8
311.05588	80.6
312.05902	5.8
323.05600	2.5
341.06644	7.3
399.16571	43.1
400.16711	3.8
431.09790	100.0
432.10159	11.4
535.20245	0.8
583.22778	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	831.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	31.8
69.22285	6.7
69.91184	0.6
71.01386	3.9
73.02940	2.5
77.03967	1.0
79.01897	1.0
85.02931	2.4
89.02435	13.5
93.03457	2.9
100.77189	0.7
101.02412	1.7
103.03996	1.1
105.01938	2.7
107.01357	0.8
109.02901	0.8
117.03458	9.6
119.04993	1.6
121.02943	3.2
123.04538	0.8
125.02459	1.1
131.03503	2.8
133.02922	1.6
135.04518	2.7
137.02438	1.4
147.04619	0.9
149.02431	2.6
149.04553	55.6
150.03249	5.4
150.04924	1.4
150.17720	0.8
151.03743	0.9
152.01245	0.8
161.02435	6.7
161.13351	0.9
163.00333	3.5
163.03973	3.2
163.11275	1.1
165.01953	1.5
165.05566	5.5
166.05890	0.9
167.03432	1.0
173.04553	1.0
179.03499	1.6
187.03743	1.0
191.03593	1.0
191.05600	3.2
195.05022	0.7
195.06598	3.9
197.56252	0.8
215.68526	0.8
217.90840	0.8
223.13399	23.5
224.13733	1.5
225.05608	1.0
232.67737	0.8
239.07152	1.5
253.04912	1.0
267.12363	7.2
268.03687	2.0
269.04559	1.6
281.04559	13.9
282.05054	2.9
283.06122	45.1
284.06531	3.9
293.04593	2.7
295.06198	0.8
299.02289	0.9
299.05557	3.2
309.04266	0.9
311.05609	85.2
312.05911	8.0
323.05490	2.1
341.06656	7.7
357.13638	0.9
399.16605	43.3
400.16779	4.7
413.14725	1.0
431.09811	100.0
432.10129	11.7
583.22980	0.8
587.12891	0.8
595.14215	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05472	0.4
59.01377	100.0
60.01706	0.8
61.98826	14.0
67.32545	0.4
70.74357	1.1
71.01405	0.4
73.02970	1.2
75.00878	1.0
78.95922	0.9
80.96509	0.6
87.00861	0.6
89.02424	0.6
93.03459	0.6
95.01382	4.0
99.92577	6.2
100.92648	0.5
105.03521	0.5
107.05042	0.8
108.02196	1.9
109.02969	2.4
111.00886	1.3
116.92856	49.9
117.01924	0.6
117.92888	1.9
119.05016	0.6
121.02962	3.3
122.03732	0.6
123.00879	19.8
123.04589	0.5
125.02463	0.5
133.03006	1.0
133.06589	0.7
135.04544	1.4
136.01675	2.4
137.02449	1.5
138.03203	0.5
147.04535	1.0
149.02489	1.9
150.03271	0.6
151.04021	0.9
155.89168	0.4
159.04555	0.5
161.02426	0.7
161.06140	0.5
163.04021	1.1
165.01971	0.9
172.36206	0.5
175.04146	0.5
177.01988	1.2
177.05617	1.0
187.03952	0.7
191.05563	0.6
202.02792	0.6
205.05109	0.7
209.11806	0.8
241.01077	0.5
242.44533	0.5
243.06685	0.6
246.33775	0.5
263.08066	0.5
276.78650	0.6
311.09219	0.7
327.08640	3.0
328.09152	0.6
355.08185	17.0
356.08786	2.6
358.22748	0.5
369.09924	0.7
370.10547	1.2
371.11472	1.0
385.09116	0.8
385.13074	5.4
386.13199	0.8
434.13419	0.5
639.22992	0.7
711.21179	1.0
741.21893	36.3
742.22241	7.8
742.33466	0.6
831.51178	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	831.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.25636	0.3
60.01704	0.8
61.98841	1.1
65.03958	0.4
68.99805	0.4
69.94196	1.7
75.02380	0.3
78.95905	3.0
93.03459	0.5
94.92535	0.4
95.01392	4.6
96.96027	1.0
96.96967	0.7
98.00133	0.4
98.19956	0.4
104.06889	0.4
107.05055	0.7
108.02174	1.7
109.02946	1.7
111.00898	0.7
116.92877	0.7
121.02960	1.8
122.03770	0.9
123.00887	17.0
123.04551	0.9
133.02980	1.3
135.04529	1.2
136.01677	2.3
137.02469	1.5
147.04480	0.5
149.02492	1.0
149.06073	0.4
150.03162	0.5
151.03964	0.8
152.99620	0.9
153.31429	0.3
159.04530	0.4
163.04021	0.6
175.04062	0.4
177.01993	1.4
177.05588	0.7
178.02641	0.5
193.58621	0.3
205.05028	0.5
241.01292	1.0
255.23320	1.5
277.21893	1.1
327.08807	0.4
341.10382	0.7
343.11893	2.1
355.08307	0.8
369.09808	5.8
370.10284	0.6
371.11353	11.2
372.12024	1.9
401.12619	0.8
639.22614	0.5
711.21234	0.8
741.21869	28.8
742.22174	6.2
831.50403	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	829.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.8
68.21925	0.4
68.99777	0.6
69.40248	1.9
69.40668	1.4
71.01386	0.9
76.68246	0.5
78.91545	0.5
81.03447	4.8
83.01395	3.1
83.53864	0.4
85.02940	2.0
93.03467	1.3
95.05032	5.6
96.26864	0.6
97.02950	1.5
99.04507	2.0
102.98576	0.6
111.04563	0.5
112.56142	0.5
113.47426	0.4
119.05019	9.9
121.02949	0.9
122.03676	0.8
123.04522	7.2
125.02457	12.4
135.04480	0.9
137.02438	1.5
137.06071	8.2
139.03970	2.0
141.05527	1.0
147.04544	0.7
149.02405	1.3
151.03995	0.8
161.06017	0.6
163.04010	15.6
164.04317	1.0
165.01854	0.7
165.05562	3.4
167.03490	29.5
168.03835	0.9
171.81311	0.5
173.04442	0.8
175.00346	0.6
177.05574	0.6
179.03526	4.6
180.04228	1.9
181.05014	2.0
189.02031	0.7
191.03494	7.6
191.05597	8.4
193.05066	1.2
198.35796	0.5
203.03418	0.7
205.05055	3.9
207.02975	0.9
209.04539	100.0
210.04855	4.6
220.85796	0.5
221.04529	2.0
223.06122	0.6
233.04538	21.2
234.04890	0.8
235.06055	0.5
239.05630	3.5
251.05594	4.5
263.05569	1.6
275.05606	1.0
311.07736	2.3
329.08795	1.3
336.19296	0.6
337.09344	5.9
353.08762	1.0
371.09814	76.8
372.10132	5.7
401.10828	1.5
431.98648	0.5
491.14044	55.5
492.14255	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	827.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93911	0.3
58.02954	0.4
59.01384	1.7
69.99351	1.2
71.01376	1.2
74.02469	1.1
85.02954	1.1
93.03461	0.4
95.01405	0.5
98.19894	0.3
101.02470	0.5
101.43133	0.3
108.02224	0.3
109.02984	1.7
113.02442	0.6
113.06110	0.4
116.03564	0.4
116.05035	0.4
121.02961	0.5
123.00889	1.1
123.04501	0.5
125.02471	1.3
131.07141	0.8
137.02451	6.9
138.03204	0.4
139.00392	0.5
139.04041	0.3
149.02448	1.2
150.03293	0.3
151.00369	11.5
151.01593	0.6
151.03978	1.4
152.01102	1.1
152.04790	1.7
153.01945	0.3
153.05571	0.4
159.04514	0.4
161.04503	0.3
163.04013	0.4
164.04776	0.7
165.01918	0.6
166.02710	41.1
167.01828	0.5
167.03351	3.0
175.03967	1.1
177.01967	2.2
177.05496	0.3
178.02728	0.4
178.33855	0.2
178.99858	0.5
179.03490	0.9
179.07178	0.4
181.05061	63.1
182.05420	2.3
183.10281	0.6
184.03799	0.5
189.05614	0.4
190.02675	0.4
190.06354	1.1
191.03514	0.8
191.05486	0.5
192.04213	0.7
193.05020	0.7
195.03008	0.5
203.03510	0.3
203.08244	1.0
205.05025	0.6
205.08696	0.7
207.06596	1.3
209.04488	0.4
223.06252	0.5
226.02623	0.3
239.16496	0.4
243.02927	0.3
245.09300	2.9
255.03024	1.6
271.02444	3.3
272.02838	0.4
300.02774	8.1
301.03394	2.6
329.10092	0.4
356.12952	0.3
359.11203	1.4
387.10843	8.7
388.11142	0.8
402.13150	8.3
403.13330	0.8
416.06277	0.3
417.15521	100.0
418.15845	12.5
427.88531	0.3
447.09296	0.5
544.58752	0.3
561.19946	1.0
566.43341	0.3
571.22540	0.4
579.21356	0.5
609.14441	7.3
610.14630	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
67.01894	0.6
69.03452	0.6
70.54619	1.2
71.01369	1.2
72.37472	0.4
73.02946	0.5
73.48149	0.4
76.13783	0.4
81.03458	1.1
83.01387	6.7
85.02959	2.3
91.73191	0.4
93.03459	2.0
95.01375	0.5
95.05029	1.8
96.41153	0.4
105.03447	0.7
107.04974	0.6
108.46138	0.5
109.02950	0.9
111.00849	0.8
119.05013	1.6
125.02428	0.6
129.47609	0.4
133.06583	0.7
135.04530	5.4
137.02419	1.3
139.04037	0.6
145.02921	0.6
146.03693	0.5
147.04524	1.6
149.02428	1.3
153.01920	0.6
159.04543	1.4
161.02414	1.1
161.06166	2.1
163.04004	1.9
165.05586	0.7
165.97261	0.5
167.03474	1.3
173.04556	2.6
173.06053	1.0
175.04050	0.5
175.07616	0.8
177.05545	2.0
179.03488	4.7
180.04292	0.5
185.06084	0.5
187.04015	1.2
188.04784	0.7
189.05569	1.6
191.03548	3.4
191.05615	18.2
201.05571	1.2
203.03542	2.1
203.07127	1.8
204.04198	0.7
205.05058	3.8
206.02242	1.1
209.04526	0.7
217.05031	2.1
218.05827	0.6
219.02946	1.2
219.06607	1.7
221.04536	1.5
231.03024	2.1
231.06625	1.1
232.03760	5.0
233.04561	9.3
245.04530	3.6
246.05435	2.6
247.06104	7.8
259.06058	2.1
263.05640	2.2
273.03967	0.9
274.04959	0.7
275.05621	66.1
276.05939	6.0
277.07153	1.1
287.05701	3.0
302.65082	0.5
305.06683	32.5
306.07034	2.8
317.06766	2.4
335.07675	2.5
347.07748	0.6
353.08777	26.8
354.09097	1.7
365.08728	0.9
368.98471	0.5
377.08740	1.5
383.09805	5.8
384.10135	0.9
395.09912	3.6
396.10245	0.5
405.17450	0.5
421.17181	0.9
455.11853	2.2
473.13013	100.0
474.13333	11.8
687.17303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.7
63.46811	0.4
65.00344	0.9
71.23396	0.5
71.23735	0.6
74.24431	0.4
83.01385	0.5
85.06588	0.6
107.01398	2.5
108.02189	0.8
109.02983	0.8
113.06047	1.0
121.02976	1.1
125.02445	0.5
131.07147	4.1
135.00928	0.5
135.79575	0.5
137.02429	1.6
148.01659	0.9
149.02470	0.8
151.00352	9.5
163.00391	1.8
164.01132	0.5
165.01878	0.5
166.02721	5.2
167.03485	0.8
173.08192	1.2
177.01950	0.4
178.99828	4.2
181.05074	8.4
182.05309	0.5
192.00514	0.5
211.04016	0.9
227.03407	1.4
229.04898	0.5
243.02950	5.1
245.04454	0.6
245.09270	0.8
246.24792	0.5
254.02261	1.6
255.02989	17.6
256.03394	1.4
271.02469	35.9
272.02847	2.8
273.04016	1.2
283.02457	1.0
299.02014	0.7
300.02744	72.0
301.03455	30.0
302.03677	2.2
387.10684	0.9
402.13025	0.8
417.15527	15.6
418.16016	1.4
447.09229	1.7
609.14581	100.0
610.14868	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	823.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.3
66.64004	0.1
70.01439	0.1
71.01379	0.6
71.54601	0.1
73.02943	0.4
73.95377	0.1
80.73397	0.1
83.01396	0.2
93.03457	0.1
96.96012	0.4
101.02461	0.2
104.53295	0.1
112.53120	0.1
118.05220	0.1
119.05035	0.2
121.02934	0.7
121.06667	0.1
122.03732	0.3
147.04553	1.2
148.05299	99.1
149.05620	4.2
161.04524	0.2
163.07639	100.0
164.07962	4.7
164.09377	0.2
190.87132	0.1
191.05588	0.2
203.05595	0.4
343.70541	0.1
367.13904	1.0
368.14069	0.1
772.09467	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	823.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	18.5
59.60096	3.5
61.98829	93.6
67.31408	3.3
69.56428	20.3
71.01384	25.2
78.99660	3.1
79.63293	2.9
83.24274	4.0
84.13607	3.4
85.02958	4.4
87.00888	5.6
89.02440	4.6
90.53497	3.3
92.04350	3.2
97.02975	4.6
97.06583	3.9
101.02441	6.1
108.11849	3.6
109.02930	6.6
109.06565	4.6
113.02451	6.6
121.02914	5.3
123.00908	8.5
123.04536	6.8
124.01669	6.9
125.02450	14.6
125.09679	8.8
136.01649	11.7
137.02443	16.0
137.09647	3.6
138.03252	5.8
151.04016	18.1
153.02069	4.0
162.03163	7.6
163.04031	14.3
163.11256	10.8
171.10278	29.6
177.01868	4.4
177.05438	5.3
179.03398	3.5
181.12338	7.0
191.05629	8.4
197.11812	11.0
199.09714	18.4
201.11337	28.8
207.10219	15.0
209.11801	100.0
210.12187	8.6
211.13390	5.3
215.12871	5.0
225.11250	20.7
227.12981	19.9
235.08192	13.9
245.19037	6.5
253.09296	28.6
257.79535	4.1
263.20392	3.9
289.18066	24.9
291.19720	12.3
307.19168	26.9
308.19418	3.4
309.20673	45.0
310.20889	5.3
342.11221	23.6
371.11420	5.4
411.18021	49.3
412.18472	6.8
445.20871	11.4
461.20215	8.1
545.29749	4.5
725.37769	4.5
737.39575	3.6
751.39417	8.0
787.41187	5.2
823.42224	47.0
824.43176	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	822.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17933	0.1
59.01380	0.3
61.98828	100.0
62.98528	0.2
65.79720	0.1
67.04742	0.1
69.44869	0.6
70.02838	0.1
81.57561	0.1
88.98811	0.3
92.01989	0.1
95.01405	0.1
108.02217	0.1
109.02946	0.1
116.92857	0.1
123.00854	0.4
123.04520	0.2
124.01170	0.1
133.02939	0.1
136.01653	0.7
137.02019	0.1
138.02194	0.1
151.03999	0.6
152.04361	0.3
153.04526	0.1
161.02386	0.1
162.03180	0.2
163.03845	0.1
177.05605	0.3
178.05965	0.1
179.03535	0.1
193.05048	0.1
209.11816	0.1
219.32587	0.1
279.97073	0.1
290.62418	0.1
324.56064	0.1
329.09161	0.1
356.12717	0.2
356.24753	0.1
357.13156	0.4
358.13644	0.4
359.14011	0.2
371.11279	0.4
372.11597	0.3
373.12140	0.3
374.12482	0.1
492.80936	0.1
730.26654	0.1
731.26465	0.2
732.26538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
71.01391	0.3
71.08434	0.4
75.00870	0.3
77.94468	0.2
83.03556	0.2
116.92867	0.2
121.79595	0.2
123.85361	0.2
181.95494	0.2
209.11786	0.2
309.20862	0.2
371.11295	0.3
372.11658	0.3
373.11804	0.3
382.48880	0.2
508.97528	0.2
695.22491	0.2
724.54944	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05368	0.1
61.86145	0.1
61.98830	100.0
62.98536	0.1
69.80143	0.4
83.77748	0.1
84.32751	0.1
88.98854	0.1
95.01405	0.1
116.92842	0.1
122.32344	0.1
123.00866	0.5
124.01242	0.1
136.01656	0.2
151.04051	0.2
220.05527	0.1
372.11670	0.2
730.25757	0.1
731.27167	0.2
732.25995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
65.36781	5.0
68.18791	5.5
69.74034	4.9
89.30183	5.3
92.96286	5.8
96.96018	27.9
98.19891	16.8
142.97247	5.7
163.61533	5.6
229.19177	6.0
371.10907	7.7
440.44333	5.4
702.12561	6.4
713.80853	5.8
850.41925	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	820.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
63.72842	0.2
70.60795	0.5
71.01409	0.2
80.96523	0.7
87.00761	0.2
151.82132	0.2
161.16362	0.2
170.44456	0.2
178.45193	0.2
225.00723	0.2
231.10934	0.2
277.21777	0.2
291.19830	0.3
293.21222	0.7
309.20767	0.4
420.46707	0.2
731.37115	0.8
821.40533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.0
60.01713	1.7
61.01799	1.4
61.98830	100.0
68.99861	0.1
69.18564	1.1
69.18963	0.2
75.00906	0.1
84.53514	0.2
95.01378	0.4
109.02924	0.4
121.02943	0.4
123.00871	0.8
124.01199	0.3
125.02394	0.3
129.40942	0.1
134.51134	0.2
136.01631	0.4
137.02473	0.7
151.04005	0.4
161.02417	0.1
175.03889	0.1
176.04689	0.5
187.03905	0.2
343.11823	0.7
344.11935	0.5
357.13284	1.3
358.13858	0.9
371.11288	2.3
372.11636	2.4
373.11899	0.6
374.12604	0.3
651.03540	0.2
729.24750	0.3
730.24927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06466	0.1
59.01381	4.5
60.01704	0.5
61.01810	0.4
61.98830	100.0
62.98537	0.1
70.54808	0.3
73.40630	0.1
95.01430	0.2
96.62292	0.1
98.02685	0.1
98.20042	0.2
98.20596	0.1
121.02924	0.1
123.00902	0.6
124.01223	0.2
125.27258	0.1
157.17284	0.1
189.28178	0.1
280.79883	0.1
357.78970	0.1
371.11395	0.3
372.11835	0.3
373.12161	0.3
374.12094	0.2
532.28961	0.1
655.93066	0.1
729.24603	0.1
730.24542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98529	0.2
71.01402	0.2
79.95750	0.1
80.96503	0.5
81.92878	0.1
94.98087	0.1
126.86475	0.1
171.10339	0.1
199.31721	0.1
225.00761	0.1
277.21701	0.1
400.06253	0.1
423.95215	0.1
481.03259	0.1
731.36963	0.4
821.39935	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	819.287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.9
61.98838	2.2
66.43349	0.7
67.01908	1.0
68.99813	3.2
87.64162	0.6
93.03456	1.7
95.01394	20.5
96.96055	1.2
98.00132	1.0
105.03446	1.0
107.05006	1.7
108.02160	2.7
109.02955	7.2
111.00901	3.4
116.92844	0.9
121.02967	5.6
122.03732	1.2
123.00891	100.0
123.04488	4.5
124.01126	1.3
124.01769	1.4
124.79821	0.7
125.02441	1.7
125.29652	0.6
128.01178	0.6
131.04958	0.7
133.02974	3.9
133.06595	0.9
134.03757	0.7
135.04561	2.3
136.01671	58.7
137.02538	5.0
137.06105	1.7
138.03223	1.9
145.02945	1.0
147.04497	1.4
149.02449	2.8
151.04013	54.9
152.01099	0.9
152.04385	1.7
154.60629	0.7
159.04535	2.1
160.05304	1.8
161.02495	3.4
161.06087	1.1
162.03242	5.8
163.04004	4.3
165.05576	1.1
174.03204	1.2
175.04013	2.6
177.01947	4.9
177.05589	10.1
179.03487	1.1
187.03987	0.9
189.05582	1.8
190.06383	0.8
191.03706	0.7
193.05034	4.0
202.02660	0.8
203.03448	1.2
205.05034	2.1
229.15646	1.0
287.09778	0.7
313.07089	1.2
323.09586	0.7
327.08936	1.1
341.06500	1.6
342.11136	1.9
343.11868	4.9
355.08243	1.0
356.12628	1.3
357.13416	16.9
358.13922	1.5
371.11353	45.0
372.11871	4.7
403.52209	0.8
480.14630	4.3
642.45789	0.7
701.25220	1.1
729.25513	90.1
730.25812	21.0
839.52509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.61663	0.5
60.01727	0.8
61.98832	2.9
71.01395	1.3
71.54900	0.7
83.05028	0.6
85.02940	1.0
87.00877	0.9
89.02476	0.9
93.03468	1.1
95.01402	1.8
96.96018	1.7
99.28416	0.5
99.92558	0.6
101.02428	0.6
102.04865	0.6
102.80370	0.6
109.02946	0.9
115.61534	0.5
116.92864	6.3
121.02954	0.8
123.00871	6.9
123.01650	0.7
124.01711	0.6
125.02453	0.6
135.04541	1.0
137.02452	1.4
139.51796	0.5
151.03978	0.9
160.80197	0.5
173.04541	0.9
191.05580	3.0
206.68248	0.5
209.11801	4.2
211.13531	2.5
227.12892	0.9
271.02570	0.7
297.07828	0.8
300.02917	1.3
301.03583	1.1
309.07672	1.0
312.09860	0.6
327.12399	1.7
362.62753	0.6
371.11401	3.7
372.11902	1.1
397.13672	1.9
401.12637	0.6
447.09476	1.9
462.13184	0.8
699.24628	0.7
711.24225	0.7
729.25433	8.1
730.26447	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	35.2
61.98840	1.1
67.01893	4.7
68.99822	8.0
69.02018	1.0
71.54247	1.5
80.96584	1.2
86.86019	0.9
93.03453	2.3
95.01387	10.9
108.02184	8.0
109.02952	9.2
111.00872	4.4
117.03467	2.7
121.02952	9.0
122.03743	2.2
123.00891	68.8
123.04533	15.8
124.01616	3.5
125.02413	1.4
133.02901	3.7
134.03732	2.4
135.04553	2.3
136.01666	95.5
136.05278	2.0
137.02322	3.9
138.03230	12.1
146.03734	1.4
147.04541	2.5
149.02461	2.7
149.06039	1.7
150.03128	1.4
151.04012	100.0
152.04358	4.5
158.03761	1.3
159.04503	3.2
160.05272	1.5
161.02435	13.7
161.06046	2.1
162.03230	28.7
163.04036	13.1
172.45222	1.0
174.03201	4.5
175.03976	5.0
176.04744	1.1
177.01915	2.9
177.05569	49.5
178.02609	1.2
178.05907	1.5
179.03473	4.7
187.04005	1.3
189.05595	8.4
190.06303	1.5
191.07133	1.1
192.04208	1.1
193.05042	23.5
194.05655	1.8
205.05084	1.6
245.62367	1.1
255.06532	1.3
267.06543	1.7
281.08438	1.9
282.08908	2.0
296.10492	2.9
297.11194	4.2
297.14346	1.4
311.09229	2.2
327.08569	1.4
327.12369	4.3
341.06567	1.2
341.10291	3.6
342.11115	8.4
343.11755	4.6
356.09204	1.1
356.12622	37.6
357.13412	72.4
358.09830	1.0
358.13797	6.0
371.11346	77.6
372.11862	8.4
373.12820	3.5
386.47269	1.0
401.12454	3.4
480.14478	2.4
701.25342	1.5
729.25525	81.3
730.25830	17.1
759.26752	17.0
760.26807	3.8
819.52844	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	819.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88980	0.7
61.98830	27.0
67.01891	1.1
71.11504	1.6
76.39544	0.7
79.04869	0.9
83.01464	0.9
84.73233	0.7
93.03428	0.8
95.01401	3.3
96.19871	0.7
97.02946	1.2
104.77049	0.8
108.02161	1.0
109.02956	11.0
111.00867	0.9
121.02953	3.5
122.03746	2.1
123.00902	5.4
123.04534	2.1
124.01660	3.2
125.02473	2.2
133.02942	0.9
133.06601	0.9
135.04523	2.0
136.01663	9.7
137.02448	22.4
138.03242	3.3
146.03737	0.8
147.04564	1.7
149.02463	1.5
151.03999	9.5
159.04501	2.3
161.02383	1.7
161.06076	1.8
162.03268	4.6
163.04001	10.0
175.03999	3.6
176.04691	1.0
177.05571	5.6
179.03528	4.2
187.04005	4.6
189.05493	1.0
193.05095	2.2
205.05080	1.7
217.27240	0.7
218.05923	1.1
249.41786	0.8
253.08688	3.0
254.09276	1.5
256.52890	0.9
327.09006	0.9
341.06638	1.0
342.11102	14.4
343.11835	22.7
344.12088	2.0
356.09070	1.2
371.11343	100.0
372.11703	10.6
373.12851	2.2
401.72308	0.9
411.18106	20.6
412.18530	2.1
654.12891	1.0
665.75592	0.9
755.30945	1.5
765.28613	1.8
776.99805	0.9
783.29730	3.6
791.83582	0.9
834.52521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51307	1.2
59.01383	1.6
61.98829	22.2
62.13964	1.1
71.01346	1.5
71.11174	2.3
73.71031	1.1
78.95926	1.6
80.96535	1.9
90.77192	1.3
95.01395	7.3
108.02223	2.1
109.02956	13.2
121.02945	6.1
122.03766	2.5
123.00887	6.2
123.04522	2.5
124.01668	2.9
125.02454	2.4
136.01660	13.6
137.02455	25.2
138.03177	3.5
146.03802	1.6
147.04523	2.0
149.02419	2.3
151.00395	1.2
151.04012	18.4
153.01994	1.7
159.04504	2.4
161.02507	1.8
161.06004	2.0
162.03191	6.0
163.04021	11.3
167.69048	1.2
171.10239	2.8
175.03951	5.9
177.05573	5.2
179.03531	6.9
187.04007	3.5
189.05501	1.3
193.05078	2.0
205.05072	1.7
206.32506	1.0
218.05890	1.6
253.08803	2.6
265.21439	1.2
275.20163	3.3
293.21301	9.1
338.44257	1.2
342.11093	18.9
343.11826	28.7
344.12222	1.6
353.01416	1.4
356.08600	1.4
371.11328	100.0
372.11703	7.0
373.12784	2.7
411.18106	24.8
412.18198	2.6
508.42404	1.2
525.36835	1.5
755.30438	2.8
756.31927	1.5
783.30890	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	818.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
61.98828	8.5
66.03468	1.0
71.54135	0.7
71.87463	0.6
76.94177	0.6
82.06615	1.9
87.05617	3.6
94.06596	1.1
95.01403	0.6
97.04050	0.8
98.02477	1.0
101.10545	0.5
104.01074	0.5
109.02934	2.3
111.02029	0.6
112.07665	1.1
113.03559	1.6
116.05039	0.8
118.06641	0.7
121.04075	1.4
123.00830	0.9
125.02448	1.0
127.08803	0.7
129.10336	15.0
130.08685	1.9
131.04999	1.1
136.01657	2.1
137.02428	5.0
139.08800	4.2
140.07193	4.1
146.06096	1.7
147.11972	0.7
151.03999	1.8
151.08760	0.7
153.10355	1.4
155.08263	3.9
155.11856	1.5
163.03970	1.9
164.09480	2.8
165.10316	5.2
166.08659	0.9
167.08252	1.0
182.12967	2.7
183.11342	2.3
187.03957	1.0
195.15009	1.7
197.16533	3.1
199.18144	0.7
200.14087	4.7
207.15033	13.8
214.12292	1.0
224.17656	6.6
225.16000	3.7
241.13411	2.4
242.11812	1.9
242.18753	10.7
259.14493	5.6
268.20221	1.0
276.17401	1.2
295.21313	7.2
296.21652	0.7
297.15158	0.7
312.17279	2.9
313.22464	5.3
330.18158	2.6
337.26135	6.8
338.26132	0.9
342.11053	0.9
347.20862	1.7
355.27063	4.8
371.11328	25.0
371.24265	1.1
389.25385	1.4
411.17953	1.8
443.26669	0.8
468.35394	1.1
539.39154	3.2
556.34985	1.0
573.37579	1.9
615.42468	1.3
623.34467	0.8
782.51825	100.0
783.30554	1.0
783.52051	21.9
818.49500	14.8
819.49561	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	818.454
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98532	0.2
62.99261	0.1
69.53913	0.1
71.01383	0.1
71.01992	0.2
72.48289	0.1
79.78014	0.1
79.95761	0.2
80.96513	0.7
87.86839	0.1
94.98091	0.2
99.81947	0.1
108.19268	0.1
164.98689	0.1
206.97093	0.1
207.04697	0.1
209.11909	0.3
210.12230	0.2
225.00781	0.2
277.21747	0.2
278.22107	0.2
279.22375	0.1
378.52560	0.1
819.42218	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01713	0.9
61.98832	0.2
67.45705	0.2
71.30922	0.3
74.42534	0.2
95.01399	0.7
100.58922	0.2
105.53693	0.2
108.02227	0.2
109.02986	0.3
111.00904	0.2
121.02990	0.7
123.00886	3.3
125.02480	0.3
135.04514	0.3
150.03172	0.2
151.04077	0.2
172.84184	0.2
177.01982	0.2
298.43158	0.2
336.58038	0.2
340.09552	1.1
341.10107	0.2
343.11951	0.3
346.93311	0.2
355.11975	0.6
371.11313	2.5
372.11969	1.8
373.13318	0.2
395.05801	0.2
395.11484	0.2
401.12228	0.3
478.13501	0.2
529.49225	0.2
608.41742	0.2
727.23981	3.3
728.24146	1.0
810.83447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59886	0.3
59.01378	100.0
60.01707	0.8
61.98828	2.4
62.98327	0.2
66.99722	0.3
70.96263	0.5
70.96593	0.4
87.84276	0.3
89.03976	0.3
93.03471	0.5
95.01387	3.2
107.05041	0.3
108.02210	0.3
109.02958	1.3
111.00906	0.8
115.01998	0.3
116.92875	0.5
121.02954	3.4
122.03761	0.5
123.00879	15.9
123.04531	0.6
124.01785	0.3
125.02462	0.5
133.02963	0.6
133.06598	0.4
135.00839	0.3
135.04581	1.1
136.01683	0.4
137.02478	1.1
147.04500	0.5
149.02489	0.8
150.03145	0.4
151.04031	0.7
161.06155	0.3
163.04015	0.8
167.84081	0.2
174.03207	0.3
175.04007	0.4
177.01913	1.5
177.05605	0.3
178.57626	0.3
187.03893	0.3
313.07181	0.3
340.09482	4.5
341.06598	0.4
341.10269	0.5
343.12045	1.2
355.08286	0.5
355.11896	2.2
364.26151	0.3
371.11310	15.4
372.11935	4.0
401.12405	0.3
478.13126	0.6
727.23950	15.4
728.24298	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
57.75802	0.5
63.96237	2.1
64.46947	0.6
69.03468	0.6
71.01379	10.0
71.28690	0.7
71.29035	0.9
73.02948	1.7
77.30560	0.6
78.98591	8.9
79.95731	18.6
80.96517	100.0
81.03451	1.3
83.01407	0.9
85.02934	3.4
87.00863	2.9
94.98084	21.8
96.95978	1.2
97.02943	1.6
99.00903	1.0
101.02443	2.8
106.98087	4.0
113.02524	0.8
120.00161	0.6
122.97585	5.2
125.02457	3.2
127.04010	0.9
134.97591	6.9
136.99126	2.2
148.99121	8.2
152.98627	8.5
164.98619	14.8
188.36827	0.6
194.55513	0.6
206.99652	3.0
225.00726	19.8
255.23250	1.8
277.21591	1.0
537.27478	1.2
559.26038	1.8
560.27173	0.6
710.47571	0.6
815.49829	99.3
816.50098	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68686	0.3
59.01361	1.2
63.02377	0.4
65.00317	1.0
69.94995	0.3
70.00855	0.9
70.01273	0.5
73.02925	0.5
83.01392	0.8
85.02928	0.3
91.01872	0.3
93.03435	0.6
107.01396	2.6
108.02183	0.6
109.02922	1.5
121.02940	2.9
135.00848	0.4
148.01646	0.9
149.02422	0.6
151.00365	10.0
151.01572	0.5
152.00708	0.4
163.00372	2.2
164.01050	0.3
178.99870	5.4
187.03990	0.6
201.05545	0.4
211.03992	0.9
216.04144	0.3
226.02748	0.7
227.03473	1.8
229.04985	0.8
243.02995	4.9
244.03383	0.4
245.04614	1.5
254.02191	1.2
255.02975	14.0
256.00894	0.3
256.03296	1.3
257.04663	0.4
259.05542	0.3
271.02466	27.7
272.02966	2.3
273.03995	0.8
282.10306	0.3
283.02426	1.4
299.01825	0.5
300.02731	59.1
301.03482	45.1
302.03842	3.0
314.48633	0.3
447.09293	100.0
448.09674	10.3
480.87344	0.3
511.29349	0.3
613.28314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01717	1.1
61.98830	4.9
62.85764	0.5
68.42537	0.4
70.62617	0.5
71.02009	0.5
71.02348	0.7
73.68577	0.5
80.96503	0.8
95.01391	0.9
109.02985	0.5
121.02972	0.9
123.00900	4.2
141.01704	4.3
143.32419	0.4
244.67812	0.5
250.47112	0.5
265.69678	0.4
340.09598	1.4
355.11972	0.8
371.11267	3.2
372.12137	1.5
397.13315	0.5
727.23999	4.6
728.24548	1.2
816.50171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01382	1.4
61.98829	0.4
63.96244	2.5
64.97030	0.3
69.03437	0.9
71.01378	9.7
71.53296	0.4
72.99257	0.4
73.02963	2.2
78.98589	7.8
79.95734	17.0
80.77582	0.3
80.96515	100.0
81.03466	0.8
85.02937	4.3
87.00873	3.8
94.98087	21.6
96.96024	1.7
97.02969	2.1
99.00883	0.8
101.02442	3.0
106.98090	4.3
110.48399	0.4
113.02483	0.6
121.38858	0.3
122.97574	3.8
125.02432	3.1
127.04018	0.8
131.12373	0.3
132.59360	0.3
134.97588	6.9
136.99118	1.6
141.01712	0.6
146.97519	0.6
148.97997	0.6
148.99142	8.0
152.98640	8.0
164.98628	15.2
167.00153	0.3
206.99689	3.4
225.00745	20.1
226.01018	0.5
239.12453	0.3
255.23215	1.6
277.21729	0.8
283.04974	0.4
347.83655	0.4
537.27124	1.6
559.25732	2.0
560.25775	0.3
815.49786	91.8
816.50165	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	815.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.8
61.98830	2.6
69.03440	0.5
71.01370	3.3
71.23878	0.6
71.54195	0.9
73.02943	1.1
73.32567	0.7
78.10242	0.7
78.95903	15.5
78.98586	1.2
79.77074	0.6
79.95740	2.2
80.02681	0.9
80.96523	10.0
81.03476	1.0
83.01414	0.6
83.05021	3.9
85.02960	1.5
86.82029	0.6
87.00887	1.0
89.02451	1.6
94.98090	2.0
96.95998	0.6
96.96964	2.8
101.02465	3.0
103.72006	0.6
109.06545	0.6
113.02435	1.0
119.03490	0.7
125.09706	0.8
135.08189	0.9
145.04985	0.7
148.99155	0.9
152.98515	1.0
152.99603	2.2
161.04480	1.0
163.11298	2.8
164.98643	1.4
165.12874	1.4
171.10281	7.7
198.47151	0.6
201.11377	1.8
201.68596	0.6
207.10303	0.8
209.11819	100.0
210.12183	5.9
223.00041	0.7
225.00766	2.3
225.11348	0.9
227.12885	10.5
235.08220	3.3
241.01207	6.4
253.09270	8.2
255.23273	7.6
259.15405	1.3
259.20279	0.6
277.21713	82.6
278.22046	7.6
445.21027	3.3
513.30359	1.5
586.13953	0.7
644.62396	0.6
725.38751	7.6
726.39154	1.7
779.39465	1.4
797.40863	5.5
798.41229	1.1
815.52289	8.0
816.50385	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2041
Annotation	CHEBI:75516
Peak:m/z	Relative Intensity
59.01373	0.8
63.20537	0.4
69.73844	1.4
69.74280	1.3
71.01367	0.4
74.60143	0.4
83.01391	0.7
85.02946	2.2
87.00881	0.7
93.03469	1.5
109.02951	1.6
119.05011	0.7
121.02967	1.1
125.02460	1.2
127.04085	0.5
133.02948	10.5
134.03767	0.8
135.04483	1.0
147.04533	0.9
149.02443	1.7
151.04034	0.6
161.02428	1.3
163.00395	1.4
163.04015	3.2
165.01952	1.9
169.48778	0.4
173.02402	0.5
173.04520	0.5
175.03961	2.8
177.01895	0.9
185.02258	0.5
191.03625	1.5
191.05598	27.4
192.05898	1.1
193.01392	1.3
193.04999	0.6
199.03998	1.3
201.01874	1.1
202.04208	0.4
209.03712	0.5
211.04129	0.6
212.04697	0.5
213.05608	0.9
217.05066	0.7
225.05595	0.8
227.07001	0.7
229.05110	0.6
236.14745	0.5
240.04396	0.6
241.04944	0.8
253.05110	0.7
255.03040	0.9
255.06656	0.7
256.03922	0.4
257.04520	0.6
269.04611	1.0
270.05396	0.5
281.04419	0.5
284.03220	7.8
285.03979	6.7
297.04010	14.7
298.04745	8.6
299.05582	16.7
300.05933	1.4
309.03992	0.7
311.05652	1.9
325.03351	1.1
327.05072	94.1
328.05426	8.4
339.05069	2.6
340.05276	0.5
341.06696	0.8
346.05133	0.5
357.06122	23.7
358.06400	2.8
367.10309	5.0
369.06177	2.5
381.06522	0.6
393.06049	1.3
447.09283	100.0
448.09601	12.3
520.76471	0.4
625.90369	0.5
663.70105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70615	0.3
61.98817	2.1
65.03949	0.6
67.01881	0.8
68.99826	0.4
70.18270	1.5
71.01377	0.4
73.06760	0.3
77.96235	0.4
78.95863	0.7
80.75719	0.3
83.01396	1.3
89.48785	0.3
90.08568	0.3
93.03442	1.3
95.01394	2.1
97.02953	0.4
105.46918	0.3
107.05020	0.3
108.02203	0.9
109.02953	13.5
111.00890	0.6
117.03501	0.4
119.05050	0.4
121.02955	3.2
122.03766	1.1
123.00874	4.3
123.04498	1.5
124.01646	1.6
124.83776	0.3
125.02454	4.4
131.05003	0.8
133.02974	0.8
133.06592	0.9
134.03755	0.4
135.04497	1.2
136.01668	8.0
137.02449	24.3
138.03268	1.9
139.00374	0.5
143.04939	0.5
145.02924	0.8
146.03711	1.0
147.04536	1.3
149.02470	1.9
149.06071	0.5
149.99562	0.5
150.03221	0.8
151.04004	6.7
152.01102	0.5
152.04340	0.4
153.01907	1.1
158.03745	0.9
159.04501	2.4
160.05281	0.6
161.02475	1.9
161.06065	1.6
162.03200	3.1
163.04016	6.9
164.04489	0.5
165.01886	0.5
174.03169	0.9
175.03992	3.8
176.04704	0.5
177.01901	1.4
177.05557	3.5
179.03583	2.1
186.03317	0.5
187.04015	6.8
188.04596	0.6
189.05484	1.7
190.02672	0.6
190.06409	0.7
192.04395	0.6
193.05040	0.8
201.05684	0.4
203.03484	1.6
204.04079	0.4
205.05069	2.3
217.04961	0.5
218.05878	1.1
233.08167	1.6
254.09409	0.7
313.07004	0.5
326.00461	0.4
327.08694	0.9
341.06491	0.7
342.06870	0.5
342.11050	7.3
343.11880	3.2
344.11972	0.6
355.08163	0.8
356.09064	1.3
367.16309	0.4
371.11340	100.0
372.11700	10.2
373.12677	2.1
411.18173	9.7
412.18466	1.5
696.22467	0.7
714.23383	0.8
765.29407	1.0
783.30701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	0.4
62.68539	0.2
65.03966	0.5
67.01875	0.9
68.99809	0.5
69.03429	0.3
69.80663	0.2
71.01385	0.6
83.01375	1.4
84.02142	0.4
91.05556	0.2
93.03430	1.1
95.01389	2.2
95.05030	0.3
97.02951	0.4
103.05547	0.2
105.03418	0.2
107.05024	0.5
108.02155	0.9
109.02951	13.3
110.03296	0.4
111.00874	0.7
115.05474	0.3
116.92821	0.2
117.03473	0.4
119.04971	0.5
121.02958	3.2
122.03749	1.5
123.00886	3.9
123.04543	1.3
124.01671	1.6
125.02451	4.0
131.05028	1.2
132.90532	0.2
133.02916	0.6
133.06566	0.7
134.03746	0.3
135.04535	1.2
136.01659	8.9
137.02443	22.5
138.03113	1.2
141.01814	0.2
143.05017	0.5
145.02902	0.6
146.03700	0.7
147.04498	1.0
149.02412	1.7
149.06032	0.5
149.99573	0.5
150.03229	0.3
151.00301	0.7
151.04010	7.1
152.01149	0.5
153.01895	0.9
154.02661	0.4
158.03708	0.6
159.04509	3.2
160.05093	0.2
161.02411	1.8
161.06058	1.2
162.03233	3.0
163.04010	7.4
164.01186	0.3
164.04475	0.4
165.01949	0.4
173.02414	0.2
174.03207	0.6
175.03992	3.9
176.04700	0.7
177.01953	1.2
177.05568	3.6
178.02798	0.2
179.03491	2.8
180.04172	0.2
186.03305	0.4
187.03999	6.6
188.04564	0.4
189.05571	1.3
190.02657	0.5
190.06279	0.7
191.03427	0.4
191.64648	0.2
192.04309	0.4
193.05026	0.9
202.02750	0.3
203.03484	1.9
204.04204	0.2
205.05058	1.9
211.03838	0.2
218.05823	2.0
219.06253	0.4
233.08221	1.5
239.07132	0.5
241.05006	0.2
249.22868	0.3
253.08716	0.7
256.07391	0.3
257.08206	0.3
267.06583	0.5
279.06689	0.3
280.07608	0.3
313.06964	0.3
327.08649	0.7
327.12256	0.5
340.95639	0.3
341.06516	0.7
341.10370	0.6
342.11038	7.5
343.11810	3.2
344.12146	0.3
353.10297	0.4
355.08270	0.9
356.08920	0.9
371.11316	100.0
372.11655	9.7
373.12817	1.6
387.10910	0.5
411.18088	8.7
412.18173	1.2
468.65051	0.2
588.63293	0.2
592.70459	0.3
714.23773	1.3
765.29211	1.2
766.29150	0.4
783.29999	1.2
784.30084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	3.2
65.03954	0.8
67.01889	0.7
68.99808	0.8
69.03454	0.4
70.76541	0.6
71.01380	0.6
81.03460	0.3
82.08795	0.2
83.01396	1.5
84.02192	0.3
92.23263	0.2
93.03455	1.1
95.01376	2.2
97.02955	0.5
107.05029	0.3
108.02177	1.1
109.02947	13.8
111.00867	0.9
115.05555	0.6
116.92886	0.3
117.03456	0.4
117.51406	0.2
117.89680	0.3
119.05054	0.4
121.02947	3.9
122.03741	1.3
123.00889	4.3
123.04520	1.9
124.01658	1.8
125.02449	3.6
130.04216	0.2
131.05038	0.9
133.02946	0.8
133.06586	0.9
134.03758	0.3
135.04546	0.9
136.01665	9.3
137.02443	24.4
138.03130	1.1
139.00366	0.3
141.01888	0.3
143.05011	0.5
145.02948	0.6
146.03705	0.9
147.04501	1.0
149.02451	1.6
149.06079	0.4
149.99608	0.3
150.03194	0.3
151.00349	0.6
151.03999	7.3
152.01131	0.5
153.01903	1.5
154.02672	0.4
158.03729	0.8
159.04520	3.0
160.05237	0.4
161.02422	1.8
161.06046	1.3
162.03226	3.2
163.04005	7.3
164.04710	0.4
171.04419	0.3
174.03191	0.6
175.04004	4.2
176.04738	0.7
177.01964	1.4
177.05560	3.8
178.05885	0.2
179.03499	3.0
187.03999	6.2
188.04558	0.6
189.01968	0.2
189.05550	1.2
190.02718	0.6
190.06303	0.8
191.03531	0.4
192.04137	0.5
193.05002	1.3
199.03897	0.3
201.05634	0.3
202.02663	0.4
203.03493	1.9
204.04115	0.4
205.05072	2.1
213.47330	0.3
217.05078	0.4
218.05841	2.1
219.06488	0.3
233.08080	1.7
239.07124	0.5
241.05074	0.6
251.07094	0.3
253.08733	0.5
254.09351	0.4
256.07373	0.3
267.06583	0.6
279.06467	0.3
305.88757	0.2
327.08786	0.7
327.12350	0.4
341.06631	0.9
341.10223	0.5
342.06906	0.3
342.11029	7.6
343.11823	4.0
344.12473	0.3
353.10532	0.4
355.08286	0.9
356.08929	1.4
371.11319	100.0
372.11673	10.7
373.12827	2.4
387.10977	0.6
411.18088	8.4
412.18402	1.1
517.35516	0.2
696.22235	0.4
714.23199	1.0
765.29315	1.2
766.28693	0.3
783.29584	1.3
784.30707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77771	0.2
61.98835	1.3
62.94156	0.2
65.03964	0.8
67.01895	0.9
68.99799	0.5
69.03452	0.5
71.01379	0.6
73.18077	0.2
81.03442	0.4
83.01389	1.8
84.02180	0.6
93.03455	0.9
95.01395	2.4
97.02938	0.6
99.00933	0.3
103.05524	0.3
105.03460	0.4
107.01369	0.4
107.05027	0.7
108.02164	1.2
109.02953	14.9
110.03322	0.3
111.00885	0.9
115.05541	0.6
117.03445	0.4
119.05014	0.4
121.02957	3.4
122.03745	1.7
123.00884	5.3
123.04525	1.3
124.01672	2.5
125.02447	5.4
130.04216	0.4
131.04982	1.0
133.02940	0.8
133.06590	0.9
134.03761	0.7
135.04535	1.4
136.01660	8.6
137.02452	28.1
138.03282	1.9
139.00388	0.5
141.01970	0.3
143.05013	0.6
145.02959	0.8
146.03754	1.0
146.15454	0.2
147.04523	1.4
149.02448	2.1
149.06102	0.6
149.99600	0.4
150.03140	0.4
151.00357	0.8
151.04018	7.9
152.01102	0.4
153.01953	1.7
158.03708	0.6
158.44936	0.2
159.04521	3.4
160.05060	0.6
161.02420	2.2
161.06070	1.8
162.03239	2.9
163.04008	8.1
164.04721	0.8
165.01872	0.3
171.04572	0.2
173.02429	0.5
174.03152	0.6
175.04005	4.3
176.04691	0.5
177.01974	1.6
177.05585	3.5
177.54471	0.2
178.02737	0.3
179.03503	2.9
186.03238	0.6
187.04001	7.8
188.04688	0.6
189.01917	0.3
189.05579	1.8
190.02676	0.6
190.06354	1.1
192.04272	0.5
193.05092	0.8
201.05536	0.4
202.02686	0.4
202.06374	0.2
203.03496	1.9
203.06870	0.2
205.05055	1.9
211.07593	0.4
217.05064	0.4
218.05815	2.1
233.08165	1.6
239.07155	0.6
241.05043	0.4
253.08704	0.5
256.07358	0.4
265.67276	0.2
267.06607	0.5
295.06198	0.3
297.07632	0.3
311.09030	0.3
313.10727	0.3
327.08765	1.0
327.12302	0.4
341.06668	1.0
341.10281	0.6
342.11041	7.1
343.11801	3.3
344.12241	0.4
353.10165	0.5
355.08142	0.6
356.08957	1.0
371.11334	100.0
372.11700	9.2
373.12833	1.9
387.11020	0.3
411.18118	8.6
412.18552	1.2
696.22205	0.5
714.23242	1.2
765.29382	1.4
783.30389	1.2
784.30261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
58.00590	0.4
59.01383	16.0
61.98829	0.6
69.03458	0.8
69.20599	3.7
71.01385	8.2
71.01959	0.4
72.99284	1.3
73.02956	3.4
80.45730	0.4
81.03470	0.4
83.01399	2.0
85.02953	5.3
86.00097	0.8
87.00873	1.7
89.02446	1.3
93.03466	2.6
95.01372	0.7
96.95988	1.0
97.02938	0.5
99.00879	1.4
101.02446	4.4
111.00861	1.4
112.01641	0.6
113.02490	2.2
119.05032	0.4
123.16035	0.4
124.01637	1.1
125.02472	2.1
129.01978	0.8
132.05817	10.8
133.06499	0.6
135.04535	1.0
137.02444	3.5
141.01891	0.4
143.03571	0.5
144.81168	0.4
145.03008	0.5
145.06644	0.4
149.04544	0.6
149.05974	0.5
161.02419	0.6
163.03993	0.5
164.04808	9.1
171.82626	0.4
175.03874	0.4
176.04834	0.5
179.03494	0.6
191.05580	0.7
208.41391	0.4
242.58392	0.4
243.17549	1.2
255.17497	1.5
271.16971	1.2
273.18613	46.2
274.18915	3.6
275.20175	1.1
285.18597	0.9
297.18527	0.5
298.91132	0.4
315.19724	1.5
389.94489	0.4
417.22803	12.0
418.23120	1.6
435.23856	44.5
436.24173	6.2
461.21722	1.7
477.24951	26.0
478.25394	4.7
479.22977	5.4
480.23233	0.8
521.23920	100.0
522.24298	17.1
563.24835	2.1
769.29016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
58.00592	0.5
59.01382	31.4
60.82819	0.4
61.98840	3.0
69.03444	0.9
71.01384	22.9
71.55766	0.7
72.99309	1.2
73.02946	29.4
74.03255	0.5
81.03487	0.5
83.01389	8.6
85.02948	4.0
86.11039	0.4
87.00871	1.0
89.02440	3.9
91.53785	0.4
93.03462	1.1
95.01398	1.3
96.95983	0.5
97.02950	0.6
99.00842	0.7
101.02443	18.7
102.02752	0.7
111.00888	0.6
113.02455	5.0
119.03495	1.2
119.05013	0.6
123.00862	0.9
123.04536	0.5
125.02487	2.3
129.01930	0.6
131.03474	1.5
131.05037	0.4
133.02878	0.6
134.03752	0.8
135.04515	1.0
136.65137	0.4
137.02443	1.2
138.03145	0.6
139.03954	0.4
143.03488	0.7
146.03621	0.4
147.04559	0.8
149.02438	0.6
149.04536	0.9
151.00339	0.8
153.05510	0.4
155.03542	0.4
159.04491	1.7
161.02504	0.6
161.04578	1.6
165.05501	0.4
167.03484	1.3
168.10918	0.4
173.04555	0.8
175.03975	1.6
183.94890	0.5
188.01161	0.4
191.05641	0.8
192.83412	0.5
193.05112	0.6
203.03510	12.3
204.04015	1.3
209.04517	1.0
218.05833	17.6
219.06400	1.0
221.04482	2.0
221.06453	0.4
233.08162	11.7
234.08525	0.7
236.06789	1.3
236.32162	0.4
250.04726	0.7
251.09145	1.4
301.03619	0.4
307.05896	0.5
325.07135	0.7
335.05417	0.9
341.08853	0.7
353.06610	4.0
368.09070	4.8
383.11334	5.8
545.16290	1.6
552.88550	0.4
563.17645	7.9
564.18054	1.6
575.14496	0.9
590.16187	1.4
605.18762	100.0
606.19098	17.8
811.27209	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	811.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.7
61.98821	1.4
67.01872	1.1
68.99808	0.8
69.03448	0.4
69.27273	0.6
69.27677	2.7
71.01363	1.1
74.07637	0.3
79.01883	0.4
81.03458	0.7
81.18298	0.4
84.02158	5.0
85.02951	1.2
87.00849	0.5
91.05509	0.4
93.03453	1.7
95.01357	1.1
96.96007	1.5
97.02919	0.9
98.20621	0.7
104.03559	0.4
107.01391	0.4
107.04996	0.9
108.02154	1.3
109.02940	3.9
113.02428	0.5
115.05526	0.5
117.07103	0.5
117.97472	0.5
119.05009	1.0
121.02943	3.4
122.03703	0.5
123.00903	1.9
123.04495	0.7
124.01626	1.1
125.02470	2.2
131.05008	0.8
133.02892	0.9
133.06564	0.8
134.03757	0.7
135.00862	0.8
135.04510	3.8
136.01678	2.8
137.02438	3.5
138.03165	0.7
139.00262	0.4
139.03999	0.8
143.05022	0.5
145.02959	0.4
145.06532	0.8
147.04494	1.6
149.02415	2.1
149.04526	0.4
150.03188	1.1
151.00362	0.5
151.03975	2.0
152.01180	1.8
153.01918	2.6
159.04503	1.5
161.02417	1.3
161.06047	0.9
162.03189	0.7
163.00409	0.4
163.03998	2.5
164.01085	0.6
164.04733	0.7
165.01920	3.8
165.05490	1.0
166.02666	1.6
167.03439	1.5
171.04469	1.0
173.04517	0.6
173.05930	0.5
174.03200	0.9
175.04015	2.2
176.04520	0.5
177.01900	1.4
177.05527	1.2
178.02635	0.4
179.03473	2.1
179.05634	0.4
181.01389	1.3
181.04906	0.5
184.29454	0.4
187.03989	1.6
188.04811	0.5
189.01839	0.5
189.05574	2.4
190.02592	0.5
190.06342	1.7
191.03470	2.0
191.05547	1.1
192.04201	0.8
195.06557	1.0
202.06076	0.4
203.03503	0.8
204.04292	0.5
205.04993	1.4
207.02995	1.2
207.06526	0.7
208.03688	0.4
217.05026	1.4
217.08557	0.4
220.03830	2.1
220.07349	1.2
235.06104	1.2
235.09731	2.1
251.07085	0.7
279.06699	0.6
295.06290	0.5
295.09528	0.5
299.12854	0.9
325.10846	1.1
339.08365	0.5
339.12152	0.4
343.08105	1.0
343.11920	1.3
347.65347	0.4
355.12070	0.5
357.09457	0.7
368.08994	0.6
371.07468	0.8
371.11346	3.2
372.11746	0.6
373.12741	2.6
383.11404	1.8
385.09317	0.8
386.09808	2.4
399.10666	1.1
400.11621	1.1
401.12378	100.0
402.12723	11.7
521.54382	0.4
545.16388	1.5
563.17670	58.0
564.09320	0.5
564.17969	8.5
605.18738	20.2
606.19043	3.3
733.20514	0.4
811.28412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.3
61.98828	4.6
65.00316	1.7
71.11435	2.5
76.16293	0.9
76.45770	1.0
78.95872	1.1
83.01360	1.3
85.02945	2.7
86.06152	1.0
87.97562	0.9
96.95995	2.5
107.01393	2.7
125.02415	1.6
133.02917	1.2
137.02415	1.3
145.02977	1.2
151.00362	6.6
158.03668	1.2
161.02434	3.0
162.74348	1.0
171.04413	1.6
178.99834	1.5
183.04483	1.9
185.02451	1.4
186.03185	2.2
187.03854	1.4
189.01994	1.3
199.04010	5.7
201.01930	1.1
203.03294	1.4
214.02675	7.0
215.03468	3.4
218.02141	1.4
219.55243	1.0
227.03542	5.3
241.01392	29.4
242.02132	13.4
243.02924	15.0
245.00894	20.9
246.01251	1.2
255.03000	7.3
270.01675	48.9
271.02451	47.8
272.02756	4.0
273.00473	1.3
283.02017	1.2
298.01163	23.5
299.01932	100.0
300.02420	9.1
324.90292	1.1
475.08719	2.0
503.08255	39.1
504.08856	8.0
550.87122	1.0
562.20776	44.1
563.21045	8.1
766.27026	43.6
767.27551	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	809.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29235	70.0
61.98842	84.8
71.28629	88.3
78.95906	100.0
89.34912	68.5
94.42876	66.4
99.92578	85.3
105.30487	69.3
140.33273	68.1
140.74498	62.3
141.84512	70.1
246.40172	74.1
278.39581	70.7
726.57428	83.9
733.31488	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
65.03925	0.3
67.01890	2.6
68.71028	0.3
68.88622	0.4
70.56346	1.1
71.01399	0.5
71.46813	0.4
79.05543	0.4
81.03454	1.0
85.02966	0.9
93.03464	1.2
101.02406	0.4
103.71544	0.3
105.07130	2.1
108.02172	0.7
109.02969	1.0
110.55857	0.4
119.08700	0.4
123.04518	6.6
124.07660	0.8
126.05620	5.4
131.05049	0.6
133.06610	1.1
135.04529	2.8
136.05298	1.6
137.06136	2.2
139.04021	0.5
145.06830	0.4
147.04518	0.7
149.02452	2.6
149.06078	15.8
150.06381	0.5
157.06528	0.4
160.03996	0.5
160.07574	0.5
161.06052	3.6
163.07611	2.6
167.03508	13.8
168.03839	0.6
172.07780	0.5
175.04010	3.2
175.07654	4.2
176.07974	0.4
179.03523	1.7
188.10812	2.3
189.05573	1.2
191.03528	1.1
191.05580	2.1
193.05049	2.2
205.05003	3.7
206.11856	18.7
207.06624	1.7
207.12170	0.8
217.05063	0.5
219.06558	2.0
230.08110	0.7
232.09789	9.6
233.10056	1.0
245.04410	0.7
250.10860	5.3
276.08728	4.3
294.09827	1.6
312.49692	0.4
329.05078	0.3
329.08774	7.5
330.09195	0.8
341.08694	0.5
351.10736	0.5
353.08759	1.5
355.10342	10.9
356.10776	1.1
368.11200	0.9
381.11755	0.4
412.16086	3.0
456.15106	100.0
457.15448	11.5
457.21844	0.6
685.86041	0.4
790.32916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49967	0.7
61.98830	100.0
69.52602	0.9
75.15462	0.8
86.15896	0.9
96.95994	1.8
98.20665	2.1
103.25954	0.9
105.18317	0.9
116.92873	2.6
171.10303	1.3
201.11418	1.2
290.88248	1.0
307.18976	1.0
311.00351	0.9
380.83432	1.1
417.11810	1.0
429.48062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.54414	16.7
85.00428	15.5
92.58350	12.9
94.98097	19.4
96.04980	15.9
115.96157	13.7
161.02489	15.5
215.55569	17.5
272.93512	14.3
371.11209	18.4
721.50836	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	809.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
59.01382	5.8
60.99310	2.2
65.03944	0.4
67.01891	6.9
69.03461	2.3
71.01382	4.9
73.02945	3.0
77.03968	0.4
81.03454	1.9
83.01412	0.9
83.05033	1.5
85.02934	13.7
87.00343	0.5
87.00881	9.1
91.05547	0.4
93.03462	53.9
94.03789	1.6
95.05045	0.7
97.02963	0.5
98.19900	1.2
99.00883	1.1
99.04504	1.5
101.02472	0.9
101.04025	0.6
105.03460	2.9
107.05080	0.5
109.02961	4.2
111.04525	7.2
113.02495	0.9
115.04013	0.4
115.69214	0.4
121.02932	0.6
123.04530	0.5
125.02441	0.6
127.04011	2.9
129.01941	0.5
132.02191	8.9
133.02966	19.2
133.95029	0.4
134.03746	1.7
135.03497	0.8
135.04532	14.8
136.04915	0.6
137.02477	2.4
143.03491	1.0
145.03038	0.4
149.02446	0.6
150.03198	0.7
151.04057	0.5
155.03499	2.3
155.10832	0.4
160.01668	18.2
161.02438	6.5
163.03955	0.5
171.02974	1.1
173.04555	27.6
174.04903	0.9
175.04076	0.5
176.04733	1.1
177.01933	7.2
177.05498	0.6
178.02718	2.2
179.01926	0.5
179.03503	7.2
179.05132	0.5
180.04065	0.5
185.02350	0.9
191.05621	100.0
192.04292	1.1
192.05989	3.0
193.05083	6.3
203.03539	0.6
207.06633	1.4
215.05626	8.0
220.03807	1.8
229.29727	0.4
307.08340	0.7
351.07141	19.5
352.07581	2.3
361.15005	0.4
367.10361	6.7
368.10620	0.8
369.09753	7.5
370.10126	1.3
411.10822	7.0
412.10776	0.7
513.14355	0.5
543.15063	20.9
544.15259	2.9
573.16193	11.4
574.16644	1.7
591.17523	1.2
765.22479	23.8
766.22906	5.3
809.27106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32480	0.2
61.98834	100.0
78.95911	0.7
94.91846	0.2
111.87413	0.3
136.01720	0.3
273.23779	0.3
345.12552	0.3
372.12189	0.3
635.78088	0.3
658.94000	0.3
684.12891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
59.01382	5.2
67.01904	0.6
69.03449	0.5
71.01393	3.3
73.02937	2.5
77.03973	1.7
81.03469	1.0
83.01418	0.9
83.05032	3.0
85.02379	0.9
85.02872	5.0
86.37273	0.4
87.00889	1.7
89.02445	0.6
89.03995	1.3
93.03458	12.5
95.05032	4.0
96.96020	1.2
97.02948	0.5
101.02431	1.2
103.31612	0.4
105.03461	14.7
106.04288	0.7
107.05035	0.5
109.02945	1.4
111.00909	1.1
111.03837	0.6
111.04536	7.5
113.02446	0.9
119.03490	0.7
121.02946	2.5
123.04530	1.7
125.02393	0.7
127.04030	1.6
128.07689	0.4
129.01920	0.8
132.02168	1.9
132.03079	0.4
133.02960	100.0
134.02431	0.4
134.03780	19.2
135.04543	19.9
136.04868	0.7
137.02448	16.1
138.02789	0.5
139.04041	4.1
149.02411	0.8
150.03221	1.8
151.04004	1.5
153.05547	0.5
155.03503	6.8
159.04529	2.7
160.01628	1.5
161.02440	8.3
161.04547	1.2
162.03058	0.6
163.00111	0.5
165.01984	0.8
167.03467	0.7
173.04546	29.9
174.04851	0.8
175.04059	1.0
176.04784	3.7
177.01930	49.7
178.02713	36.2
179.03487	13.6
179.07124	0.5
183.47420	0.5
191.05609	7.9
191.07185	2.3
192.04308	0.5
193.05054	30.3
194.05411	1.6
201.30408	0.4
203.03499	1.7
237.14902	0.7
239.07138	0.5
241.04832	0.6
266.05704	0.5
267.06625	0.6
268.07315	0.5
277.04837	0.5
278.05936	0.6
295.06134	1.6
300.02646	0.5
307.08157	0.6
322.04816	0.8
325.10660	1.1
339.04913	1.3
351.07178	16.4
352.07809	1.5
367.10406	0.8
369.09778	92.4
370.10089	9.1
543.14990	5.3
544.15430	1.0
573.16632	0.6
591.17096	4.7
592.17432	0.9
756.49756	0.6
765.22449	25.8
766.22638	6.2
822.39679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
61.98829	100.0
63.67604	0.2
63.99812	0.2
71.01394	0.2
71.38628	0.2
85.02944	0.3
86.00654	0.3
87.04523	0.2
99.00898	0.2
101.02460	0.2
103.83193	0.2
104.94109	0.2
128.03551	0.6
128.90157	0.6
129.01984	0.6
131.03537	0.2
137.02443	0.2
164.48322	0.2
182.27353	0.2
341.10773	0.2
371.11624	0.5
372.11810	0.5
373.12106	0.7
374.12338	0.4
397.13843	0.2
403.94653	0.2
577.55011	0.2
755.16473	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73287	2.5
61.98830	100.0
63.99271	2.7
101.64458	2.6
129.04800	2.8
148.02419	3.2
150.32295	2.6
228.47060	3.1
419.02106	2.7
422.95392	2.9
429.70975	3.5
500.32495	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	808.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
75.63197	0.2
86.55238	0.2
101.78297	0.2
116.92860	0.6
120.42249	0.2
125.02370	0.3
143.74693	0.2
156.48146	0.3
210.54257	0.2
229.17587	0.3
304.85480	0.2
372.11935	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.3
61.98828	100.0
62.98534	0.2
70.44978	0.4
70.45882	0.2
73.02946	0.2
83.05061	0.2
88.44927	0.2
88.98803	0.2
96.96028	0.2
99.92579	0.3
101.02485	0.2
102.69637	0.2
109.02953	0.3
116.92849	1.9
117.92854	0.3
123.04644	0.2
125.02438	0.2
129.33812	0.2
133.62791	0.2
145.18272	0.2
151.04108	0.3
156.03775	0.2
191.05664	0.5
210.04263	0.2
353.02649	0.2
428.04413	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69678	0.1
61.98830	100.0
62.06640	0.1
62.98549	0.1
65.08414	0.1
69.79852	0.4
69.80259	0.2
88.14571	0.1
95.01447	0.1
98.20629	0.2
102.05967	0.1
109.02957	0.1
110.72414	0.1
137.02452	0.2
160.74428	0.1
176.04861	0.2
194.50688	0.1
238.25604	0.1
300.47565	0.1
341.10428	0.2
342.10690	0.2
343.11191	0.3
344.11627	0.2
371.11322	0.3
372.11670	0.7
373.11874	0.5
374.12241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98542	0.2
71.00966	0.2
75.15471	0.1
78.95930	0.1
109.02940	0.1
121.02960	0.7
128.75961	0.1
137.02469	0.1
141.03116	0.1
169.11021	0.1
176.04857	0.1
277.21805	0.4
289.14349	0.5
341.10254	0.2
342.10657	0.2
343.11075	0.1
344.12274	0.1
371.11343	0.2
372.11758	0.4
373.12076	0.4
374.12460	0.2
383.96039	0.1
391.98495	0.1
502.29443	0.5
648.24988	0.1
658.22821	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	806.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25640	0.1
60.07989	0.1
61.98829	100.0
70.62319	0.4
71.01385	0.1
74.64288	0.1
96.85880	0.1
98.19956	0.2
225.11331	0.3
371.11307	0.2
372.11942	0.2
373.12256	0.2
718.20166	0.1
721.01215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02984	0.3
58.99607	0.4
59.01396	0.3
61.98829	100.0
66.88527	0.2
85.02971	0.8
86.00688	0.3
87.04528	0.9
88.04089	0.3
89.02405	0.2
101.02467	0.4
128.03549	1.0
128.90186	0.9
129.01941	1.7
129.05617	0.3
129.99683	0.3
130.01430	0.3
130.05110	0.6
131.03499	1.5
161.18332	0.2
220.72676	0.2
268.18677	0.2
277.21622	0.4
371.11603	0.4
397.13467	0.5
418.27426	0.2
531.12500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.1
58.00581	1.1
59.01377	29.3
61.98531	0.8
61.98827	6.6
71.01379	20.6
71.55282	0.7
72.99295	2.7
73.02925	0.8
80.05057	0.6
83.01367	1.7
85.02956	6.5
87.00855	1.3
89.02445	14.4
90.02770	0.6
93.03435	1.6
94.06615	0.7
95.01332	1.4
96.95982	2.0
99.00921	0.6
101.02439	12.0
105.05820	0.7
106.06622	5.0
107.03756	2.0
109.02985	0.6
113.02461	6.1
119.03504	5.2
120.08189	14.0
121.02940	0.9
121.05292	0.7
121.08556	0.8
122.06120	21.4
123.04461	0.8
123.06485	0.7
125.02424	1.2
132.04535	2.4
134.06122	31.0
135.04520	2.1
135.06429	0.7
136.07669	1.6
137.02451	2.9
137.04811	1.0
146.21512	0.7
149.02425	0.6
150.05577	0.9
151.03955	0.6
152.01132	1.1
152.07155	7.1
158.02444	1.5
160.04025	1.2
161.02431	0.6
161.04657	0.7
162.05597	0.9
164.07196	0.8
167.03473	1.4
175.03987	0.6
179.05626	0.6
190.05070	3.4
191.05580	0.9
194.08415	0.6
211.12256	0.7
221.10829	1.2
223.08620	4.5
224.09395	2.2
225.10284	1.7
235.08690	1.3
235.12375	1.4
236.09483	2.0
237.10249	5.2
238.11049	2.0
239.11861	8.6
239.47188	0.6
241.13425	1.2
249.06628	1.9
249.10236	2.7
250.07344	1.1
251.08205	3.9
251.11827	6.5
252.12407	1.4
253.13489	1.0
255.10886	0.6
261.10196	1.2
262.07388	1.1
263.08334	5.1
263.11795	3.8
264.09021	10.6
264.12085	1.1
265.09808	8.9
265.12982	1.2
266.10315	0.9
267.11221	0.6
271.10788	1.1
276.08926	2.2
277.09763	7.4
278.10535	3.6
279.11365	27.2
280.11975	5.6
281.12906	3.1
283.10989	0.9
285.12222	0.6
289.09900	0.7
290.10544	0.8
291.08041	1.2
291.11295	8.7
292.08609	0.9
292.12076	5.3
293.12766	2.0
294.13553	1.3
295.10745	0.7
299.01797	0.9
305.09229	2.2
305.12698	0.6
307.10983	0.9
314.12466	3.1
323.10437	3.8
324.11121	3.8
325.12009	1.5
326.12503	1.1
336.10983	1.0
337.11783	1.7
345.13892	0.7
354.12109	0.6
355.12891	0.6
356.14148	0.7
356.47961	0.6
358.15189	0.7
358.19183	1.2
360.17209	1.1
370.15472	1.6
372.17023	1.8
384.17084	2.7
385.17896	1.3
386.14468	1.1
386.19080	2.7
396.05658	0.6
398.14661	1.2
398.18954	1.5
399.19620	1.3
400.16272	0.9
401.21115	1.1
402.18292	1.4
412.16690	0.9
414.18262	0.8
418.21295	1.1
426.18216	2.9
427.18719	0.9
430.17496	1.6
431.18735	0.9
433.20007	0.9
443.18301	0.7
444.19150	2.6
445.19717	1.3
459.18149	0.8
460.18600	0.9
462.20016	3.1
470.17624	0.6
471.17883	1.5
472.18799	3.1
473.19363	2.6
482.56540	0.6
488.18277	1.4
489.18610	1.1
490.19928	6.8
491.20062	1.2
517.17950	0.7
518.18738	1.0
564.23608	1.4
606.24597	4.1
610.23792	1.5
611.23883	1.0
623.25055	1.3
633.23389	0.7
639.25726	0.6
650.23309	8.2
651.24347	12.0
652.24408	1.9
682.26111	14.0
683.26636	4.1
729.31671	1.4
745.30963	0.9
755.28735	1.2
773.30359	100.0
774.30670	24.3
805.32983	59.2
806.33252	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	805.33
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.6
58.00576	1.1
59.01378	26.8
61.98812	1.2
68.99773	0.6
69.69685	3.0
71.01379	16.1
72.99299	1.1
73.02936	0.7
80.05054	0.7
83.01366	1.6
85.02944	4.3
87.00850	1.0
89.01932	0.9
89.02439	11.8
91.29655	0.6
94.06614	0.9
95.01378	1.2
98.19974	0.8
99.00874	1.1
101.02439	9.1
104.30402	0.4
105.05830	1.0
106.06618	4.4
107.03772	1.5
108.04562	0.7
113.02418	4.7
119.03477	3.9
120.08187	13.3
121.08575	0.6
122.06116	17.4
125.02396	0.6
130.06601	0.5
132.04565	1.4
134.06116	25.7
135.06451	0.7
136.07646	1.4
137.04828	0.6
150.05548	0.9
152.07150	5.8
158.02376	0.9
160.04080	0.9
161.04662	0.8
164.07127	1.1
174.05605	1.3
186.05669	0.5
190.05110	3.4
200.07167	0.6
211.12349	0.6
221.10817	0.8
223.08748	3.9
224.09438	1.7
225.10265	1.4
235.08804	0.8
236.09550	1.3
237.10287	3.9
238.11049	1.7
239.11880	6.7
241.13400	0.9
249.06647	2.6
249.10304	2.2
250.10976	0.5
251.08247	3.3
251.11832	5.5
252.12506	1.1
253.13374	1.2
261.10129	0.5
263.08209	5.7
263.11795	1.8
264.09018	7.0
264.12161	1.0
265.09747	8.7
265.12994	1.0
266.10239	1.1
267.11273	0.8
276.09006	1.4
277.09790	6.5
278.10559	3.4
279.11353	16.6
280.11960	4.1
281.12943	2.0
283.10773	0.6
289.09949	0.6
290.10675	0.8
291.08087	0.8
291.11304	4.6
292.08826	0.6
292.12079	3.3
293.12869	1.8
294.13620	1.5
299.01913	0.8
305.09302	2.6
306.09671	1.1
307.10843	1.5
314.12430	1.9
323.10397	2.9
324.11053	3.2
325.11816	1.6
326.12515	1.4
336.11127	0.7
337.12067	2.4
338.12509	1.1
342.16040	1.1
356.13892	0.6
358.19073	1.3
369.14713	0.7
370.15561	1.3
371.16006	0.8
372.17224	1.2
384.17166	2.8
385.17697	0.9
386.18765	2.2
387.19180	0.6
388.16150	0.6
398.14700	0.6
399.19666	1.1
400.16190	1.0
400.20746	0.6
401.20950	1.6
402.18109	1.0
412.16696	1.0
414.18115	1.2
417.20490	0.7
418.21335	1.2
426.18121	2.5
427.18790	0.9
428.20157	0.7
430.17630	1.0
442.17749	0.5
443.18115	0.9
444.19241	3.0
445.19733	1.1
453.16629	0.8
454.17581	1.1
459.17917	1.0
460.18811	0.9
461.19043	0.8
462.20370	3.2
471.17792	2.4
472.18716	3.3
473.19226	2.6
488.18301	0.7
490.19791	6.1
491.19989	1.4
532.20697	1.1
550.22443	0.9
564.23505	0.9
565.24762	0.6
578.21869	0.7
605.23468	0.7
606.24298	1.7
607.24451	0.8
623.24469	0.8
650.23468	4.2
651.24310	8.8
652.24127	0.9
682.26257	5.7
683.26520	2.3
687.30096	0.5
729.31720	0.7
742.27277	1.6
745.30701	0.9
773.30347	100.0
774.30597	25.0
805.32953	51.3
806.33167	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	805.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
58.00591	5.0
59.01380	100.0
60.01707	1.4
61.98825	2.0
69.40125	3.9
71.01382	71.8
72.01731	1.0
72.99309	6.6
73.02946	1.7
74.03356	0.5
75.37446	0.6
78.82922	0.6
83.01392	2.7
85.02950	14.6
87.00875	4.3
89.02445	93.4
90.02763	1.2
93.03437	0.5
95.01379	4.8
96.95975	0.5
97.02958	0.6
101.02445	31.0
108.02150	0.7
109.02940	0.7
113.02452	26.7
114.02717	0.6
119.03500	33.1
123.04488	0.7
125.02416	1.7
129.01901	0.6
131.03510	3.8
137.02417	1.0
137.59370	0.5
139.03990	0.6
143.03505	6.6
148.01685	0.5
149.02406	0.8
149.04559	3.2
151.00316	0.8
151.03960	1.1
153.01906	0.9
153.05496	1.3
161.02484	1.1
161.04549	8.1
165.01860	1.1
165.05554	0.5
166.02740	3.0
167.03481	1.2
168.04262	0.6
176.01071	1.2
177.01942	0.9
179.03479	1.8
179.05615	22.6
179.07204	1.2
180.04202	0.9
180.05882	0.8
181.05043	3.3
191.03383	1.5
191.05373	0.5
192.04233	2.1
193.04938	0.8
194.05780	1.0
195.06622	0.6
204.04160	0.6
205.05016	1.2
207.06656	3.0
209.04352	1.0
209.08058	1.5
220.62541	0.5
223.06036	0.9
280.95377	0.5
313.03268	0.6
416.14728	5.8
417.14972	1.9
566.19159	0.5
595.21820	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	805.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.7
61.98829	20.5
67.77318	1.1
70.07812	4.3
70.08201	2.2
95.01392	3.3
98.20587	1.2
108.02176	1.8
109.02959	7.5
114.05540	1.1
121.02945	3.7
123.00909	1.8
123.04520	2.1
125.02425	2.3
135.04503	3.1
136.01675	38.8
137.02455	29.5
138.02811	1.3
147.04495	2.0
151.04013	37.8
159.04535	4.3
160.05389	1.7
175.03966	1.8
177.05612	1.3
187.03967	4.7
189.05618	3.0
191.07224	1.4
192.59122	1.2
203.03497	1.6
218.47191	1.2
229.90041	1.2
233.08154	1.4
253.08644	2.1
273.79745	1.1
283.09686	4.0
313.10812	1.7
343.11874	58.3
344.12189	4.9
371.11353	100.0
372.11761	10.3
373.12692	2.4
385.12781	1.3
687.24298	3.8
697.23053	3.2
715.23865	15.0
716.25171	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	805.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.8
61.98829	12.3
67.01858	0.8
68.28393	0.7
69.03460	1.1
71.37955	1.4
88.98791	1.2
93.03487	1.6
95.01390	4.0
108.02177	1.9
109.02958	9.2
116.92836	1.0
119.04995	0.8
121.02956	4.2
123.00868	2.9
123.04521	3.0
124.01637	1.0
125.02423	3.0
131.04984	1.2
135.04521	2.8
135.18898	0.8
136.01660	52.2
137.02454	32.4
138.02777	1.0
146.03731	1.3
147.04472	1.2
149.02431	1.6
149.05980	1.3
151.04012	48.4
152.04279	2.0
159.04524	4.5
160.05261	1.0
161.02399	1.2
161.06052	1.4
175.04015	3.1
175.07654	1.1
176.04677	1.2
177.01917	1.1
177.05533	1.9
187.04001	6.2
188.04820	0.8
189.05548	2.5
191.07127	1.8
203.03410	1.0
205.05005	1.5
218.05818	1.6
221.94545	0.9
233.08145	1.5
253.08749	3.5
259.98840	0.8
284.74915	0.9
343.11832	64.0
344.12207	5.9
355.07745	0.8
366.48578	0.9
371.11331	100.0
372.11749	12.1
373.12741	1.8
547.96082	1.0
687.24402	4.4
697.22601	8.3
698.22369	1.1
715.23682	11.0
716.24420	4.4
793.74780	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.7
61.98830	30.7
69.03482	1.3
71.01393	4.3
71.54879	1.4
73.22597	1.3
76.83230	1.1
88.98809	5.9
95.01398	2.8
95.58691	1.3
108.02159	2.5
109.02937	8.9
121.02979	3.1
123.00903	4.4
123.04474	1.5
125.02406	3.3
133.06598	1.4
135.04535	2.5
136.01651	24.1
137.02454	29.3
147.04485	1.8
150.45457	1.2
151.02878	2.5
151.04002	25.6
151.05141	0.9
159.04509	3.1
171.10262	1.4
175.04024	3.1
177.01912	1.8
177.05574	2.3
187.04042	6.2
189.05553	2.2
190.02835	1.6
191.05614	1.8
200.20003	1.3
205.04973	1.7
211.13336	1.6
225.11320	1.6
234.06148	1.3
245.10835	1.6
256.17462	1.3
274.05850	1.4
343.11862	24.7
344.12207	1.8
371.11316	100.0
372.11758	9.6
373.12988	2.0
383.34970	1.4
451.08441	1.3
521.23187	1.5
526.31573	1.4
684.92407	1.6
697.22888	3.0
715.23816	14.7
716.24176	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	805.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	19.1
60.41095	8.1
61.98837	73.3
68.32435	9.4
68.38995	7.5
71.01361	41.5
71.43243	8.1
71.55101	8.5
81.75923	9.4
87.00876	9.5
88.98822	21.5
89.02463	9.3
93.03470	11.6
96.96001	26.3
109.02956	26.0
111.00856	11.8
112.66699	9.2
113.02402	9.6
114.93413	12.6
116.92851	84.4
117.92934	12.4
121.02910	11.6
123.00879	52.9
123.04540	13.0
124.01665	12.9
135.04494	19.5
135.85538	8.5
136.01669	44.4
137.02432	60.6
138.03233	12.9
151.04028	55.4
161.06122	8.8
162.03261	26.3
163.04022	70.1
171.10324	26.2
173.04515	8.7
174.72003	9.7
177.05583	30.3
179.03439	14.3
191.05576	23.3
201.11298	16.6
209.11781	24.0
211.13451	15.0
214.50775	9.5
253.09126	13.1
270.01483	12.2
299.01868	21.0
325.20416	10.2
341.23636	12.4
342.11157	53.5
343.11737	80.8
371.11432	91.6
372.11853	18.5
407.78549	9.5
461.07190	40.7
553.58521	10.5
715.23975	100.0
716.24536	17.4
745.25647	13.3
806.42963	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	804.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75555	0.1
61.98830	100.0
62.98546	0.1
69.94178	0.4
71.01380	0.1
80.96516	0.8
82.24959	0.1
91.58541	0.1
94.98111	0.2
118.32407	0.1
135.34630	0.1
148.51215	0.1
164.92276	0.1
164.98645	0.1
169.07858	0.1
176.44795	0.1
188.10992	0.1
193.22371	0.1
209.11754	0.1
225.00790	0.3
278.22043	0.1
572.36432	0.1
804.39978	0.3
805.40613	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	9.8
63.63880	0.7
65.98371	0.8
67.01891	1.8
69.03430	0.7
71.01364	1.2
71.08437	0.7
77.45090	0.8
84.02178	0.9
93.03400	0.9
95.01391	1.6
100.60914	0.8
101.32071	0.7
102.73119	0.8
106.89389	0.7
108.02183	1.9
109.02954	9.9
116.92828	3.7
121.02918	3.1
123.00871	2.7
123.04533	2.1
124.01672	0.8
125.02448	3.9
131.04993	1.1
135.04504	3.4
136.01656	30.9
137.02451	21.7
138.02759	1.2
143.04980	0.7
149.02429	1.6
149.06050	0.7
151.03999	25.7
152.04347	1.3
159.04478	3.4
161.02319	0.9
161.06056	2.0
163.03944	0.9
175.03967	2.4
177.01917	1.9
177.05551	1.4
179.03510	1.0
187.03990	7.4
188.04443	0.8
189.05548	2.0
191.07169	1.2
203.03513	1.5
205.05048	2.0
218.05862	2.2
233.08179	1.5
237.06102	0.8
253.08940	0.9
329.37646	0.8
343.11792	19.8
344.12158	2.2
356.08661	1.5
371.11304	100.0
372.11652	9.6
373.12720	2.0
385.12885	1.0
420.68469	0.8
581.70398	0.7
697.23254	3.7
698.23334	1.6
699.86914	0.8
715.23596	9.4
716.24164	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	803.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.7
59.01129	0.5
59.01377	15.7
62.58005	0.2
71.01379	2.1
71.54719	0.4
73.02948	1.5
81.03417	0.3
83.01402	0.4
83.05028	4.2
85.02961	1.2
87.00884	0.7
87.04536	0.2
89.02467	0.5
93.03483	0.7
95.01398	0.3
96.96000	0.5
97.06599	3.6
97.15995	0.2
101.02423	1.4
102.98599	0.9
107.05021	0.2
111.04543	0.4
113.02451	0.7
113.69906	0.2
121.02929	0.3
121.06606	0.3
123.08181	0.6
135.04538	0.8
136.01581	0.3
137.02455	0.5
137.09727	1.0
139.11273	1.1
143.03537	0.2
146.03714	0.3
149.02437	0.8
149.04498	0.4
149.09712	0.9
150.03220	0.8
151.03949	0.2
151.11269	0.8
161.04616	0.4
161.06026	0.3
161.09647	0.3
162.03185	0.4
163.11276	5.4
164.11656	0.4
165.05559	0.7
165.12898	1.1
165.29457	0.3
167.14450	1.1
173.04637	0.5
177.05556	0.5
177.12840	1.0
179.03481	0.8
179.10767	0.4
179.14403	4.0
191.05605	5.2
192.05963	0.9
193.06073	0.3
195.06627	0.4
195.13901	15.4
196.14247	1.2
197.15468	12.5
198.15846	1.0
205.12332	0.3
211.17055	0.5
223.13387	17.3
224.13690	1.5
239.12883	0.6
239.16501	3.5
240.16896	0.3
241.14442	100.0
242.14769	8.2
243.14940	0.5
255.06639	0.3
271.06006	0.3
283.15497	60.2
284.15863	5.0
285.16122	0.3
327.12247	0.4
339.12515	0.4
353.08713	0.4
381.50461	0.2
423.98657	0.2
477.19244	0.7
507.20261	0.4
537.20306	0.3
611.17114	0.3
622.21838	0.3
777.28223	0.3
803.24677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
58.60545	1.2
59.01380	33.8
61.98810	4.1
69.70573	7.0
71.01379	18.0
73.02950	1.3
80.05062	2.8
83.01398	1.8
85.02955	8.6
89.02436	13.2
93.03444	1.5
95.01393	1.6
96.96005	3.6
98.20634	1.7
99.73544	1.3
101.02435	8.6
104.05063	1.9
106.06612	5.3
106.58537	1.2
113.02448	6.3
119.03497	5.4
121.05288	1.3
122.06130	11.3
123.04519	1.6
125.02454	1.4
130.06717	1.5
132.04514	3.0
134.06119	33.8
137.02443	1.9
152.07162	5.1
160.03978	2.1
160.06441	3.2
167.03458	1.8
174.05649	1.5
179.03516	2.2
209.04588	2.2
213.10356	19.8
214.10757	1.9
223.08788	1.9
224.09497	1.5
225.10423	1.7
226.11218	2.1
236.20958	1.4
239.11861	16.6
241.13519	8.9
251.11966	3.3
277.09854	1.9
279.11563	1.6
285.12439	26.1
286.12833	2.0
293.12872	2.3
305.09247	3.4
307.10818	1.9
314.12784	2.7
328.10974	4.2
337.12277	2.3
340.14557	2.6
342.12424	3.1
343.13156	5.4
344.14056	2.2
356.14044	3.0
356.17758	2.2
357.14636	2.9
358.15610	12.4
359.15967	3.5
370.11804	2.3
384.13150	6.8
385.14014	2.8
396.13336	2.5
397.14124	1.9
398.15094	4.6
399.15466	2.3
400.16711	14.3
412.16714	5.7
426.14502	1.5
475.17120	2.9
573.21240	1.6
685.28961	4.1
727.29980	18.7
728.30444	4.5
730.28522	3.0
743.29504	2.5
759.32819	1.7
771.28809	100.0
772.15198	1.6
772.29041	27.5
803.31549	58.1
804.31732	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	803.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.9
59.01380	23.7
61.85944	0.3
69.20680	1.4
69.21104	1.9
71.01381	11.5
71.01780	0.6
72.99306	1.4
73.02932	1.0
75.00903	0.3
80.05054	1.7
83.01387	0.8
85.02945	2.8
87.00868	1.1
89.02446	8.8
94.06665	0.4
95.01378	1.2
96.58037	0.4
98.20689	0.8
101.02445	6.6
104.05083	1.1
106.06629	4.1
107.03732	0.4
108.04550	0.5
113.02463	3.6
119.03523	2.6
120.04561	0.5
120.08173	1.4
121.05344	1.7
122.06120	8.5
130.06627	0.4
132.04601	2.4
134.06134	22.3
135.06470	0.7
146.06094	0.3
148.04068	0.7
150.05659	0.4
152.07181	2.9
158.02464	1.1
160.04044	1.5
160.06427	3.7
161.04837	0.4
174.05566	1.2
190.05098	2.0
197.07182	0.8
198.12761	0.4
211.08801	0.5
213.10335	17.2
214.10635	1.2
223.08815	0.7
225.10390	1.6
226.11087	1.3
227.11923	1.0
235.08775	0.4
237.10388	0.7
239.11884	6.9
240.12300	0.7
241.13483	8.0
249.10269	0.7
251.11926	3.0
253.13498	0.4
263.08228	0.5
265.09726	1.2
267.11444	1.8
277.06424	0.4
277.09814	1.2
278.10382	1.0
279.11292	0.6
285.12448	23.6
286.12650	2.1
293.09567	0.7
293.12598	1.8
295.10895	1.0
301.35852	0.4
305.09457	2.0
307.10825	0.5
313.13190	0.5
314.12732	0.8
316.14362	0.8
327.13608	0.4
328.11044	2.0
328.14450	0.7
330.12378	0.6
332.17603	0.6
337.11890	2.0
340.14560	0.9
341.11771	0.6
342.12589	1.7
343.13220	1.9
344.13751	0.9
354.12396	0.5
355.13187	0.8
356.13925	1.7
356.17734	1.0
357.14661	1.4
358.15607	6.6
359.15930	0.8
366.12399	0.4
368.10208	0.8
368.14127	0.5
368.17960	0.5
369.14688	0.8
370.11859	1.4
370.15594	1.5
371.12326	0.5
372.17123	1.0
382.11411	0.5
382.15759	0.6
383.12479	0.6
384.13419	3.9
384.17480	1.4
385.14185	1.7
396.13516	1.5
396.83429	0.3
397.14233	1.4
398.15091	2.4
399.15256	0.5
400.16693	7.7
401.17038	1.0
410.15063	1.0
412.16595	6.5
413.17041	0.8
426.14157	2.0
438.14532	1.0
440.16129	0.4
444.10135	0.5
444.15686	2.3
475.17184	0.9
505.22336	1.0
506.23605	0.5
517.18115	2.0
545.21851	1.0
563.23120	0.9
573.21411	1.3
581.23871	0.4
591.22644	1.1
592.22656	0.4
685.30615	0.4
725.27484	0.5
727.29919	4.7
728.30316	1.0
730.28894	0.4
743.29401	1.6
744.29608	0.6
753.27350	1.3
771.28796	100.0
772.29047	21.9
803.31354	23.8
804.31708	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	803.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13822	0.6
59.01377	6.2
59.86523	0.7
60.01706	0.5
61.96207	0.6
61.98814	2.7
65.03957	0.9
67.01888	1.3
69.03458	3.7
70.96623	1.5
79.04062	0.5
83.01411	0.6
84.02213	0.9
89.62984	0.7
93.03426	2.0
95.01401	3.2
101.31503	0.6
107.05022	0.9
109.02963	9.4
121.02150	1.1
121.02945	8.0
122.03725	2.4
123.00872	1.5
123.04542	6.6
125.02446	2.6
133.06622	1.7
135.04491	1.2
136.01662	3.8
137.01451	1.2
137.02446	15.4
145.02914	1.7
147.04565	3.4
149.02391	1.3
151.03969	1.6
158.03725	0.9
159.04495	3.7
160.05223	0.7
161.06033	2.2
162.03163	0.9
163.03937	0.8
165.05647	0.7
171.04498	1.4
173.06044	1.6
175.03978	5.4
176.04779	19.8
177.01923	1.2
177.05394	0.9
180.72464	0.6
187.03987	5.0
189.05527	2.0
190.06316	0.8
203.03517	1.7
205.05037	1.8
218.05733	1.4
226.10124	0.8
233.08156	1.4
253.08760	2.2
254.09187	0.7
255.67783	0.6
263.07129	1.1
264.07797	1.5
265.08655	1.0
293.08173	1.9
300.94809	0.7
311.09232	2.1
312.09421	1.1
323.09094	1.1
341.10263	48.9
342.10614	4.7
343.11847	23.5
344.12271	2.4
355.08185	1.3
356.08875	1.0
371.11331	100.0
372.11658	9.0
373.12802	2.2
685.22778	2.9
695.21521	3.2
713.22131	11.4
714.22797	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	803.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.3
59.54253	0.5
61.98820	2.7
67.01866	1.0
69.03458	3.5
71.44511	1.0
84.02142	1.1
86.94537	0.6
93.03448	2.4
95.01392	2.9
109.02956	9.6
113.28061	0.6
114.79708	0.5
119.05044	0.8
121.02956	8.3
122.03729	1.3
123.00848	1.7
123.04525	6.8
125.02406	2.8
131.04984	1.0
133.06578	0.8
135.04515	1.5
136.01640	3.1
137.02441	15.9
138.02777	0.7
143.04976	1.0
145.02933	1.6
146.03595	0.7
146.40334	0.6
147.04507	2.3
149.02464	1.9
151.00249	0.5
151.03970	2.2
159.04478	3.8
160.05246	0.8
161.02209	0.7
161.06026	2.1
162.03311	0.6
171.04497	1.2
173.06018	0.9
175.03961	4.3
176.04773	15.8
177.01930	0.7
177.05475	1.3
179.03514	0.7
187.04015	4.2
189.05571	2.7
201.05428	0.6
203.03508	1.3
205.04955	1.2
218.05737	0.7
233.08195	1.2
239.07043	0.8
253.08691	2.4
254.09418	0.8
263.07129	1.2
265.08649	1.2
292.07343	0.6
293.08276	1.7
311.09308	2.4
341.10260	46.6
342.10635	5.6
343.11841	20.1
344.12277	1.2
356.08945	0.8
371.11316	100.0
372.11703	10.6
373.12881	2.0
416.81674	0.6
591.33453	0.6
675.27246	0.6
685.22644	2.9
695.21405	3.4
696.22321	0.8
713.22345	11.7
714.23096	3.0
720.22046	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.2
61.98828	25.4
67.01877	2.0
69.03470	2.2
71.01391	1.7
71.16138	1.6
71.16483	1.0
73.89707	0.9
76.15540	0.8
82.94582	1.0
83.01386	2.4
93.03455	2.0
95.01395	1.5
109.02959	12.2
114.50541	0.9
121.02926	6.2
123.00862	2.1
123.04524	5.1
125.02468	5.9
126.90421	30.6
127.00373	3.3
128.03526	7.0
131.05037	1.8
133.06551	1.4
135.04536	1.9
136.01646	3.3
137.02443	22.1
138.02875	0.9
143.05005	0.9
145.02956	1.2
147.04500	2.0
149.02449	1.8
151.04002	1.1
159.04480	3.6
161.06041	1.8
171.10190	1.0
173.06061	1.1
174.03194	1.8
175.03983	3.8
176.04803	12.5
177.01877	1.5
177.05441	1.4
184.69563	1.0
187.04013	8.6
189.05557	2.6
193.30370	1.0
203.03471	1.9
205.04999	1.4
218.05870	2.5
233.08160	1.7
253.09059	1.4
265.08600	1.4
267.06445	1.1
277.21866	1.4
298.56290	1.0
311.09293	2.0
323.09424	1.0
331.39838	0.9
341.06125	1.7
341.10257	31.9
342.10587	2.9
343.11850	4.1
371.11310	100.0
372.11609	11.0
373.12814	2.2
584.33350	1.1
695.21228	3.4
713.22308	10.2
714.22723	2.2
772.39764	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34195	2.3
57.47726	2.2
59.01376	58.8
60.99294	3.1
61.98817	13.8
62.57403	2.2
67.01875	4.4
68.91476	2.7
68.99809	9.9
69.03430	2.6
69.80753	4.7
69.81116	11.6
71.01391	5.5
88.98800	19.0
93.03436	4.6
95.01376	16.6
97.02933	2.7
101.60094	2.5
105.35325	2.2
108.02153	9.6
109.02939	10.5
111.00851	7.0
120.66767	2.4
121.02974	12.6
122.03768	2.4
122.99999	5.2
123.00877	81.2
123.04497	14.3
124.01691	4.0
125.02419	2.7
133.02983	4.2
135.04497	5.5
136.01659	89.8
136.05156	3.0
137.02371	3.4
138.03185	10.1
149.02434	5.1
149.06059	4.3
151.03998	92.9
151.93922	2.5
152.04327	3.8
159.04582	2.8
161.02412	9.4
162.03218	26.7
163.04057	13.6
173.04558	2.5
174.03212	4.3
175.03947	4.7
177.01956	4.8
177.05553	48.6
179.03517	4.9
189.05487	5.9
191.05545	3.5
193.05067	22.9
207.10300	2.5
209.11826	2.4
209.39999	2.5
217.53102	2.3
225.11258	3.4
327.08572	6.4
341.10123	4.6
342.10834	5.0
355.08176	77.4
356.08640	7.9
356.12561	35.2
357.09610	14.2
357.13464	74.3
358.13608	6.8
713.22290	100.0
714.22937	22.3
743.23059	16.6
744.22968	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	802.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49504	0.1
61.46756	0.1
61.91914	0.1
61.98829	100.0
62.98533	0.2
69.56284	0.2
69.56687	0.5
71.01363	0.1
78.95930	0.1
80.96507	0.4
81.37759	0.1
93.80436	0.1
145.47998	0.1
145.52545	0.1
146.55792	0.1
162.92221	0.1
170.98360	0.1
171.16394	0.1
189.10547	0.1
202.70683	0.1
209.11903	0.1
225.00732	0.2
235.01143	0.1
274.42526	0.1
277.21732	0.1
293.97894	0.1
304.13986	0.1
332.85992	0.1
449.17776	0.1
461.05450	0.1
785.38770	0.1
803.39136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.9
65.00328	0.6
71.01377	1.1
71.54908	0.5
71.55268	0.5
73.02933	0.6
77.03988	0.6
79.01888	0.5
80.96351	0.3
83.01388	0.7
84.32184	0.4
84.48957	0.3
85.02940	0.8
87.04491	0.4
89.02428	1.1
93.03450	1.5
97.02963	0.5
101.02464	0.5
105.03452	0.5
107.01386	0.5
109.02979	1.9
112.35025	0.3
113.02438	0.9
119.05023	1.7
121.02946	1.4
125.02431	1.6
133.02946	11.0
134.03632	0.4
135.04506	1.6
137.02415	0.8
138.01920	0.8
138.05626	0.4
147.04506	1.3
149.02426	1.7
149.04539	0.5
151.03976	0.9
161.02457	1.8
163.00369	1.7
163.04007	4.1
165.01874	2.0
173.02480	0.5
173.04436	0.4
175.03947	3.2
177.01923	0.9
179.03499	0.5
182.02205	1.0
185.06001	0.5
187.07813	0.4
191.03497	1.7
191.05579	4.3
192.05896	0.7
193.01370	1.3
197.04544	0.7
199.04008	1.4
201.01880	1.1
203.03520	0.8
211.04002	0.6
212.04669	0.6
213.05594	0.9
215.03604	0.5
217.05177	0.5
225.05603	0.8
227.07191	0.6
229.05202	0.4
239.16466	3.2
240.04314	0.9
241.05090	0.8
241.14265	0.4
243.02789	0.5
253.05003	0.9
255.02943	0.8
255.06738	0.7
269.04532	1.0
281.04730	0.5
283.15521	1.8
284.03238	9.1
285.04013	7.7
286.04501	0.7
289.12057	0.8
297.04037	15.8
298.04755	8.6
299.05597	19.3
300.05994	1.3
309.04105	0.7
311.05569	2.2
324.02863	0.8
325.03622	0.9
327.05075	98.1
328.05444	8.1
333.11047	0.4
339.05081	3.9
340.05252	0.5
341.06668	0.9
357.06134	25.1
358.06323	2.4
369.06049	2.9
370.06039	0.4
393.05933	0.7
401.11328	0.4
411.07245	0.4
429.08740	0.4
440.51373	0.4
447.09283	100.0
448.09644	12.0
467.16034	0.5
469.13486	0.4
475.17130	2.1
476.17365	0.5
638.17078	0.4
803.24347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.46721	0.3
60.01711	0.9
61.98831	2.6
68.79939	0.3
70.03509	1.2
71.01389	1.0
95.01401	1.0
109.02982	0.6
111.00916	0.4
112.27428	0.3
121.02957	1.4
122.03731	0.4
123.00890	4.5
123.04470	0.3
125.02437	0.6
133.02943	0.3
134.89507	0.4
135.04517	0.4
136.93344	0.3
137.02434	0.7
151.03949	0.4
173.49146	0.3
191.05748	0.4
209.11636	0.3
277.21674	0.4
311.99133	0.3
340.09702	1.0
355.08121	3.7
355.11951	0.7
356.09091	1.4
371.11398	0.5
385.09244	0.5
478.12598	0.4
614.72595	0.3
711.20935	5.8
712.21234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
71.54020	0.3
80.96511	0.6
85.45921	0.2
141.87434	0.2
164.98622	0.2
225.00793	0.3
286.23373	0.2
533.19830	0.2
803.39349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98829	100.0
62.98547	0.2
69.19956	0.6
70.74793	0.1
71.01405	0.1
71.30847	0.1
85.02993	0.1
89.87168	0.1
96.96024	0.1
97.02897	0.1
104.24149	0.1
113.02464	0.1
121.03009	0.1
125.02449	0.1
127.79320	0.1
151.04018	0.1
161.02489	0.1
179.03482	0.1
191.05655	0.3
207.13925	0.1
209.11838	0.2
210.12265	0.1
324.10040	0.1
403.24796	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.24
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34851	0.1
59.01380	100.0
60.01711	1.1
61.98832	2.9
67.01888	0.2
70.76354	0.3
70.76678	0.2
71.01382	0.8
72.26682	0.1
72.81174	0.1
77.49355	0.1
88.27930	0.1
93.03478	0.2
95.01412	0.5
105.06341	0.2
109.02956	0.6
109.06629	0.2
111.00859	0.3
116.92884	0.2
117.89437	0.1
121.02962	0.9
123.00896	2.4
125.02482	0.3
135.04527	0.3
136.01660	0.2
137.02409	0.4
149.02492	0.1
161.02414	0.2
162.56009	0.1
163.03937	0.1
171.10249	0.2
191.05531	0.2
207.10324	0.4
209.11908	0.5
225.11392	0.4
253.09258	0.1
266.96741	0.1
289.18073	0.2
293.21463	0.2
340.09625	0.6
355.08209	2.6
355.12045	0.4
356.08841	1.5
356.12546	0.1
367.07913	0.2
385.09439	0.2
478.12943	0.2
586.00568	0.2
711.20764	3.3
712.21033	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.7
59.01380	100.0
60.01727	0.8
61.98830	1.8
69.03490	0.3
71.01382	8.0
71.01779	0.4
71.54050	0.3
72.99282	0.5
73.02946	3.0
83.01398	1.7
85.02946	4.2
87.00874	0.7
89.02448	3.8
95.01379	0.5
96.10638	0.3
96.96004	1.7
99.00896	0.9
101.02439	7.5
109.02937	0.5
113.02471	3.7
119.03522	1.5
125.02464	0.6
129.02000	0.4
137.02510	0.7
143.03505	0.5
149.02460	0.4
150.08286	0.3
151.04066	0.3
159.03026	0.3
161.04549	2.1
167.03618	0.3
191.05618	0.5
313.16565	10.1
314.16995	0.9
355.17563	5.1
355.21616	0.3
356.17944	0.6
699.34473	0.3
777.31256	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.3
69.03430	0.2
71.01380	1.7
71.53707	0.3
73.02946	0.2
81.39909	0.2
85.01155	0.2
85.02956	0.6
89.02441	2.2
93.03426	0.9
97.02972	0.3
99.00871	0.3
101.02439	0.3
112.98035	0.2
113.02475	0.3
115.03992	0.2
119.05026	100.0
120.05357	3.7
125.02437	1.4
131.03539	0.2
132.25291	0.2
134.03746	0.2
135.04539	0.6
146.03757	1.0
148.48752	0.2
149.04524	0.3
161.06073	0.3
163.04004	97.3
164.04343	4.3
172.28709	0.2
173.04550	0.5
179.03557	0.3
179.07098	0.6
189.89067	0.2
191.05637	1.2
195.13835	0.4
208.48059	0.2
233.06630	0.8
267.02945	0.2
293.08765	4.0
325.09271	14.4
326.09665	1.0
353.08325	0.4
628.33087	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93140	1.0
56.84375	0.9
57.03440	3.3
58.00590	1.2
59.01385	66.2
61.98823	4.5
64.99007	1.0
69.03451	2.2
69.10293	0.8
69.21461	2.9
69.21880	6.4
71.01383	22.8
72.99303	2.0
73.02950	6.8
73.57942	0.9
75.00877	1.4
76.24794	1.0
79.25837	0.8
83.01391	5.7
85.02950	16.4
86.00092	2.8
87.00876	7.1
88.25159	1.0
89.02453	5.3
93.03468	1.2
95.01375	3.5
96.95999	2.3
97.02948	2.0
98.20670	2.5
99.00870	4.3
101.02469	11.0
111.00880	7.4
112.01666	1.7
113.02450	8.4
123.00842	2.1
124.01654	2.7
125.02435	4.8
129.01915	5.3
132.05797	2.3
133.02905	0.9
133.06573	1.4
134.03804	1.3
135.04550	1.6
137.02461	1.6
141.01956	5.2
143.03474	1.4
144.05865	1.2
146.07370	7.2
147.08083	1.9
164.04778	3.4
165.01932	1.0
167.03505	3.1
173.00847	1.6
178.06311	8.5
191.05573	2.1
193.05037	1.1
206.08200	1.3
255.17590	7.3
267.17651	5.1
273.18631	12.4
285.18625	27.8
286.18866	3.3
287.20190	43.0
288.20462	3.8
301.21741	6.5
327.19571	1.2
329.21216	1.6
341.04977	1.1
417.22946	9.6
429.22830	15.3
430.23059	1.7
435.23886	19.2
445.25681	2.5
447.23901	60.4
448.24368	7.9
465.24966	17.1
466.25150	2.0
471.23804	2.6
477.24966	27.0
478.25143	2.8
489.24957	100.0
490.25427	13.1
507.26013	91.6
508.26364	15.2
519.25757	3.1
531.26135	7.9
549.27307	11.5
550.27380	2.5
661.47766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47511	0.2
57.03452	0.4
59.01382	2.2
59.33765	0.2
67.01891	2.2
69.03455	0.3
71.01380	2.4
78.92801	0.2
81.03464	0.6
82.44030	0.2
83.01390	0.4
83.05061	0.6
84.53520	0.2
85.02955	8.1
85.03472	0.4
87.00877	1.8
89.02460	0.6
92.67966	0.2
93.03460	12.5
94.03807	0.3
95.50417	0.2
99.04522	0.4
101.02481	0.3
109.02953	1.1
111.00902	0.6
111.04528	2.7
113.02442	0.7
118.98087	0.3
123.04497	0.4
125.02440	0.2
127.04004	1.9
133.02968	0.8
134.03757	1.5
134.04568	0.3
135.04527	27.4
136.04863	1.0
137.02461	2.3
139.04005	0.3
149.04575	0.3
155.03528	2.5
161.02409	2.3
171.02971	0.7
173.04550	39.1
174.04948	1.5
179.03497	25.4
180.03806	1.2
191.05612	100.0
192.05952	4.1
353.08762	49.1
354.09164	4.1
443.19318	2.5
444.19263	0.4
464.60959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23626	0.4
59.01376	2.0
61.98831	3.2
65.00327	0.7
65.03967	0.5
66.51694	0.5
67.01885	0.9
68.99822	1.9
69.03432	0.5
69.22923	1.9
69.23344	2.6
95.01383	25.0
95.04990	0.5
96.01687	0.7
97.02962	0.7
98.00113	0.6
98.19855	1.0
103.05609	0.7
104.26669	0.4
105.03443	1.3
107.05021	1.1
108.02172	10.7
109.02950	11.4
110.00085	0.9
111.00871	5.0
117.03477	0.7
119.05017	1.0
121.02959	6.4
122.03740	10.5
123.00885	100.0
123.04523	3.4
124.01679	32.6
125.02482	4.9
125.81804	0.5
127.25695	0.5
128.01166	1.3
129.99034	1.0
133.02895	2.2
133.06554	0.5
134.03748	0.8
135.00880	7.6
135.04524	14.0
136.00749	0.6
136.01689	8.3
137.02444	13.2
137.06058	2.0
138.03267	2.4
141.01714	1.3
142.05125	0.5
143.99098	0.7
145.02939	0.6
146.03723	0.7
147.04549	2.5
148.01872	0.6
148.05286	0.7
149.02455	5.1
149.06093	2.5
150.03210	9.7
151.03995	8.7
151.07614	0.4
152.01152	1.0
152.04671	0.6
154.02715	0.6
159.04533	1.4
161.02454	2.6
161.06038	0.6
162.03218	2.7
163.04001	4.4
164.04744	0.7
165.05562	2.0
174.03232	0.6
175.03987	3.3
177.01968	2.9
177.05562	6.8
178.02708	6.0
178.06076	0.6
179.03465	2.0
179.07130	1.1
187.04031	1.4
189.05589	0.9
193.05031	2.1
205.05028	1.8
267.06430	1.0
273.07727	0.5
283.06174	0.7
285.07379	0.6
285.11267	0.6
297.07782	0.5
297.11182	0.7
313.07318	0.9
313.10803	2.5
327.08737	0.6
327.12332	0.8
329.10349	1.1
341.06625	0.7
341.10257	3.6
342.11057	6.2
343.11749	3.7
344.12579	1.0
355.07898	0.8
355.11893	1.5
356.08932	0.8
371.11313	27.1
372.12064	42.8
373.12799	19.5
374.13336	1.3
376.11435	1.8
451.13892	0.6
479.13577	0.7
491.13010	0.8
493.14877	0.7
548.20386	1.7
698.24316	0.6
727.24023	0.6
728.24701	26.8
729.25079	4.8
797.31726	38.9
798.32166	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	797.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.2
57.47551	0.1
59.01377	1.4
67.01900	0.2
69.03456	0.2
71.01371	0.8
71.54549	0.1
73.02936	0.2
79.76946	0.1
83.05016	0.2
85.02950	5.9
87.00880	1.0
89.02435	0.3
93.03458	2.4
97.02963	0.1
99.04522	0.3
101.02441	0.4
108.02168	0.2
109.02977	0.8
111.04523	0.8
113.02448	0.2
119.03469	0.1
127.04015	1.7
133.02953	0.4
134.03870	0.1
135.04530	1.2
137.02388	0.2
155.03406	0.2
161.02422	1.6
167.03450	0.3
171.02969	0.5
173.04555	1.6
174.04810	0.1
179.03513	1.1
191.05609	100.0
192.05962	4.4
203.72598	0.2
209.04590	0.2
353.08762	15.5
354.09119	1.5
443.19189	1.9
444.19669	0.2
625.68427	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29166	0.4
58.00579	0.6
58.84836	0.3
59.01377	15.0
59.46544	0.3
61.98803	0.3
67.01868	0.5
70.66261	1.2
71.01012	0.6
71.01383	10.0
72.99298	0.8
73.02944	15.1
74.11613	0.4
75.00852	0.6
80.61779	0.3
81.21818	0.4
83.01395	3.0
85.02944	1.7
87.00874	0.9
89.02439	1.6
93.03439	0.4
95.01379	0.6
96.96030	0.6
99.00838	0.6
101.02444	8.1
107.01401	0.8
108.02158	0.6
108.38829	0.4
110.00113	0.6
111.00866	1.1
113.02425	1.4
113.82442	0.4
123.00903	2.5
124.01672	8.1
125.02436	1.9
129.01915	0.4
135.04500	0.4
136.01637	0.7
137.02399	1.5
139.04010	4.3
147.04436	0.7
149.02446	0.4
150.03131	0.4
151.00334	2.3
151.03972	0.7
152.01137	1.6
159.04521	0.7
159.40900	0.4
160.05226	0.6
161.02454	2.7
161.04514	0.9
163.03960	0.6
165.01888	0.5
166.02634	0.7
175.04015	4.6
176.04773	2.9
176.37984	0.4
177.01950	0.9
178.02574	0.6
179.03502	0.5
180.04089	0.4
187.04048	0.8
189.01927	1.4
191.03505	2.2
191.05597	4.7
203.03484	2.7
204.04274	14.2
205.04970	2.5
219.02979	1.1
219.06616	14.9
220.06897	1.1
222.05318	0.8
289.11960	1.2
300.02631	0.4
333.10910	0.5
339.04987	0.4
341.06787	0.6
353.06656	0.7
354.07437	4.2
355.07965	1.1
367.66818	0.4
369.09744	11.9
370.10120	1.7
373.09088	1.2
431.07834	1.2
509.68369	0.4
549.16187	1.3
576.14893	2.7
591.17145	100.0
592.17493	18.7
592.27386	0.7
671.95984	0.4
798.20758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
82.37363	3.5
92.03239	3.1
104.37488	3.0
115.91888	3.8
116.92867	3.9
125.33396	3.2
132.76648	3.7
162.77023	4.3
170.65555	3.6
178.37033	3.3
178.38647	3.3
188.21336	3.4
371.11234	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	795.241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40229	27.2
61.98823	100.0
66.90281	26.5
70.10126	28.7
71.54839	39.4
71.55212	34.0
137.02451	34.4
166.66599	27.3
243.65398	29.0
343.30630	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	795.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	21.4
71.38345	6.6
80.91679	10.0
86.61813	4.4
96.95999	4.4
109.02943	18.1
112.05782	4.9
121.02921	7.2
125.02420	6.0
127.01147	4.8
128.14920	4.9
137.02469	27.5
141.15826	5.3
176.04739	8.5
189.05574	6.7
191.05600	5.5
193.63199	4.4
213.72423	4.2
214.27014	4.4
341.10284	30.6
357.13342	7.2
371.11334	100.0
372.11612	14.5
385.31577	4.7
442.69812	4.9
491.19595	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	795.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.5
59.01378	40.1
61.95666	0.7
61.98827	3.7
67.01895	1.0
68.99805	1.3
69.03447	2.3
70.83077	0.9
70.83419	1.6
71.01380	34.3
72.99301	1.6
73.02946	3.5
81.03445	2.5
83.01385	5.6
84.02170	11.3
85.02453	1.4
85.02950	21.6
87.00882	4.1
88.98808	1.5
89.02441	11.1
91.41122	0.7
93.03455	5.0
95.01384	2.8
96.95999	2.3
97.02383	1.0
97.02937	5.5
99.00874	21.7
101.02444	11.4
101.67863	0.7
107.05029	1.7
108.02172	17.9
109.02970	7.5
111.00855	0.9
113.02448	24.5
119.03501	7.0
119.05017	2.3
121.02061	0.8
121.02957	15.2
122.03784	1.1
123.00861	1.5
123.04498	2.3
125.02435	10.0
131.03479	1.5
133.02969	1.1
134.03734	1.3
135.04486	2.4
136.01660	10.9
137.02452	13.7
143.03496	29.9
143.04649	1.7
145.02951	1.2
147.04472	3.9
148.05319	1.7
149.02405	2.3
149.04547	0.8
150.03221	2.5
151.04008	2.5
155.03488	6.0
159.04558	1.2
161.02486	4.0
161.04547	10.2
161.06061	3.8
162.03200	2.0
162.06857	5.0
163.03960	3.8
163.07639	3.1
164.04745	0.9
165.01956	4.5
165.05566	1.7
167.03490	1.4
171.47858	0.8
173.04546	0.8
173.06064	1.1
174.03189	1.2
175.03996	9.2
176.04663	2.4
177.05531	1.6
178.02678	1.1
179.03522	2.1
179.05598	6.5
182.02260	2.0
185.04538	2.0
187.04022	1.5
189.05544	5.2
190.06337	8.2
191.03503	3.1
191.05569	3.1
191.07167	4.5
193.05040	1.2
202.97292	0.9
203.05589	9.3
204.04312	3.2
205.04913	0.9
205.08684	2.3
219.06607	5.6
220.07324	2.5
227.05576	2.7
235.09738	2.7
245.06673	2.5
284.10797	1.1
287.07758	1.6
299.12729	1.0
305.08783	4.7
312.09848	0.8
323.09821	9.1
324.10129	1.1
327.12378	4.0
338.11810	0.8
355.11829	2.9
356.12692	6.4
357.13300	2.5
361.12268	1.1
365.10895	17.6
366.11087	1.6
385.12921	100.0
386.13226	11.4
649.38080	1.0
733.24219	2.0
751.25226	1.1
795.36450	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85532	0.1
59.17954	0.1
61.31977	0.1
61.98832	100.0
62.98541	0.2
84.73135	0.1
85.02965	0.1
88.98812	0.1
93.03471	0.2
98.20780	0.3
102.53352	0.1
116.92867	0.3
125.02460	0.3
137.02472	0.4
151.03970	0.2
161.02484	0.1
186.95427	0.1
191.05656	0.3
333.06808	0.1
368.59308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.1
61.98827	100.0
62.99231	0.1
63.99075	0.1
66.44624	0.1
71.01383	0.2
71.02136	0.2
71.02495	0.2
88.98786	0.1
96.96011	0.1
97.57973	0.1
125.02486	0.2
137.02451	0.2
153.02110	0.1
167.00722	0.1
182.34164	0.1
191.05678	0.4
198.69872	0.1
213.36140	0.1
220.82381	0.1
238.55434	0.1
289.06995	0.1
372.11700	0.1
373.12247	0.2
388.11386	0.2
395.87851	0.1
411.98730	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.1
58.34731	1.2
59.01379	92.1
60.01698	1.7
61.98825	3.5
67.01868	1.3
68.99834	1.7
69.03455	5.3
69.75821	3.0
69.76229	5.0
71.01382	54.4
71.01781	2.7
72.99305	2.0
73.02944	26.2
75.00842	1.5
81.03448	2.8
83.01383	16.1
84.02161	19.2
84.36488	1.3
85.02943	32.1
87.00865	7.6
89.02449	10.9
93.03448	6.0
95.01390	6.8
97.02942	9.4
99.00877	24.2
101.02437	44.7
103.05571	1.8
107.05003	1.6
108.02174	24.6
109.02966	10.8
111.00890	2.3
113.02443	41.5
119.03516	6.7
119.05005	4.3
121.02957	21.4
122.03794	3.2
123.00870	2.1
123.04544	1.8
123.73666	1.3
125.02461	10.7
131.03508	3.0
131.05046	2.8
133.02971	2.1
134.03738	2.3
135.04478	2.3
136.01662	11.5
137.02460	12.0
139.99300	1.2
143.03494	21.6
145.02986	1.4
147.04495	5.4
148.05307	1.7
149.02473	3.2
149.04546	4.0
149.06064	2.8
150.03186	5.0
150.17340	1.2
151.03983	2.4
155.03496	3.5
159.03046	1.6
159.04413	1.5
161.02399	4.5
161.04575	32.9
161.06061	6.0
162.03232	3.0
162.06931	7.0
163.04010	6.5
163.07617	2.9
165.01936	5.1
171.10315	1.4
173.06055	1.4
175.03998	12.8
176.04762	1.8
177.05542	1.7
179.05591	1.5
182.02153	2.6
185.38391	1.1
187.03946	3.1
188.04836	2.3
189.05600	6.4
190.06348	11.5
191.03647	6.0
191.05539	3.9
191.07123	6.4
193.05119	1.5
203.03714	2.1
203.05589	15.3
204.04198	5.5
204.05937	1.3
205.08713	2.2
219.06619	8.4
220.07387	4.4
221.06613	3.4
235.09798	4.4
245.06537	1.6
257.06760	1.3
299.12839	2.4
305.08768	47.9
306.09006	2.9
309.11371	1.5
323.09790	78.1
324.10132	6.6
327.12186	3.9
355.11911	4.3
356.12659	12.1
357.12949	2.4
361.12186	2.0
365.06287	2.8
365.10864	52.8
366.11176	5.0
385.12909	100.0
386.13235	13.0
411.13254	1.5
733.22839	1.9
751.24402	1.4
767.35254	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	793.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.2
60.19569	1.1
61.98824	4.2
64.26414	1.3
71.01388	18.1
73.02964	2.2
80.96470	1.1
85.02973	1.6
89.02421	1.4
99.00888	2.4
101.02435	4.9
109.06547	2.6
111.00959	1.1
113.02451	2.4
125.09665	1.7
127.11246	2.0
161.04530	2.4
163.11279	2.1
171.10277	15.1
181.08670	1.9
181.12326	1.6
199.09763	16.1
199.13397	3.7
201.11316	15.0
202.11531	1.2
207.10262	12.1
223.13530	1.1
225.11316	15.1
235.08229	10.2
253.09317	11.6
277.21704	100.0
278.22034	9.4
291.19504	2.4
311.16684	1.6
368.87595	1.3
443.18674	1.5
461.20276	2.3
483.10040	1.2
695.39746	7.0
703.38324	1.3
721.41296	6.6
722.41760	1.8
739.42810	5.0
740.43353	1.6
757.44153	9.6
758.44104	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	793.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.2
61.51327	0.1
61.98824	0.4
71.53807	0.1
73.02942	1.2
75.00863	0.1
83.72642	0.1
97.93159	0.1
99.00874	0.2
99.92580	11.0
100.92591	0.7
114.93421	0.5
116.92855	100.0
116.97163	0.8
117.01929	2.4
117.92861	5.2
125.02441	0.1
141.01712	0.1
145.21269	0.1
165.07927	0.1
266.44751	0.1
277.21954	0.1
335.17743	0.1
397.13483	0.1
627.70612	0.1
806.09894	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.1
61.00368	0.1
61.98819	0.3
64.47154	0.1
71.52755	0.2
73.02943	1.0
74.48808	0.1
77.68825	0.1
80.96526	0.3
99.00919	0.1
99.92585	11.0
100.92603	0.5
102.30585	0.1
114.93424	0.4
116.92863	100.0
116.97224	1.6
117.01944	1.6
117.92873	5.3
123.76147	0.1
135.67169	0.1
140.63889	0.1
149.25606	0.1
184.32124	0.1
199.04094	0.1
211.83008	0.1
262.48196	0.1
335.17676	0.1
359.20804	0.1
508.74969	0.1
675.58868	0.1
719.35498	0.1
793.51294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.4
61.98825	2.7
71.01377	24.3
72.62542	1.4
73.02924	2.4
73.28010	1.2
73.96825	1.2
85.02979	1.5
89.02437	4.0
89.78251	1.4
96.55817	1.2
97.02975	1.4
99.00879	2.0
101.02437	2.6
109.06590	4.5
113.02448	2.6
125.06059	1.8
125.09735	3.9
149.04570	3.4
155.10713	1.6
161.04585	2.5
161.47337	1.3
163.11284	2.4
167.65659	1.6
171.10257	25.0
181.08638	3.3
181.12341	4.0
188.35146	1.3
199.09760	21.6
199.13380	3.6
201.11324	32.7
207.10248	17.5
217.10495	1.7
225.11298	26.6
226.11542	2.9
235.08197	7.1
243.12358	3.2
253.09267	17.0
277.21698	100.0
278.22046	10.0
334.26596	1.7
417.17734	3.1
435.18640	4.4
443.19324	1.4
461.20303	6.1
479.21350	2.3
667.01129	1.6
695.40259	8.0
696.40289	2.2
703.38574	2.3
721.41803	9.3
739.42731	6.3
757.43512	15.2
758.44452	2.7
793.40155	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	791.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	43.2
70.65076	15.9
70.65437	20.5
75.82571	8.1
128.45154	9.9
172.45808	8.9
178.99614	8.9
209.11833	82.3
227.12848	14.1
277.21707	100.0
334.73993	8.9
408.04724	9.2
497.31378	9.6
661.26752	9.3
791.42755	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	793.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
71.99612	12.6
87.70924	15.0
98.20095	85.0
116.92793	13.4
141.60074	13.0
152.38387	13.1
243.85622	15.2
283.06284	15.8
358.53799	14.2
371.11368	18.2
387.11081	18.8
388.21060	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	793.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98797	21.1
71.31037	13.9
101.98830	9.9
116.92873	100.0
176.97836	9.1
291.77444	9.5
371.11676	10.3
458.87067	11.1
804.68341	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	791.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
59.01362	1.5
61.98828	35.2
67.01899	1.2
68.99811	2.0
69.03454	2.4
69.95501	5.1
71.01379	6.7
79.16272	0.9
81.03447	2.3
83.01382	2.4
84.02153	1.4
85.02955	1.0
93.03446	3.0
95.01382	6.5
95.05037	1.1
96.95965	1.0
97.02928	3.0
99.00871	6.4
107.05004	1.8
108.02164	3.2
109.02946	11.9
110.00060	1.7
111.00860	9.3
115.05514	2.4
116.92892	4.8
117.03449	1.3
119.05016	2.9
121.02981	5.2
122.03761	1.8
123.00886	14.8
123.04518	3.9
124.01701	5.7
125.02438	15.1
131.05040	2.5
133.03006	1.6
133.06613	1.7
134.03741	1.0
135.04466	1.9
135.12804	1.0
136.01675	7.0
137.02425	19.2
138.03180	1.5
139.00392	11.0
140.01146	50.8
141.01869	4.3
145.02927	1.9
146.03687	1.4
147.04518	2.8
148.01678	2.0
149.02428	4.0
149.06049	3.2
150.03203	3.1
151.00357	2.9
151.04022	8.1
152.01103	3.7
153.01936	13.1
158.03679	1.9
159.04556	6.0
160.05333	1.3
161.02464	5.1
161.06111	2.5
163.03966	2.4
165.01918	3.9
165.05519	5.4
166.02664	4.4
171.10242	4.6
173.06165	1.1
174.03149	2.5
175.03946	6.9
176.00967	1.7
176.04596	1.1
177.01886	3.4
177.05559	5.5
179.03433	1.7
185.06070	1.2
187.03946	6.6
189.02002	2.5
189.05569	2.8
190.02603	1.8
190.06274	1.2
191.03448	2.3
191.05504	1.4
192.04462	1.1
193.01437	2.3
193.05014	2.4
194.02176	5.0
201.05533	2.2
203.03496	6.7
205.05014	3.9
207.03012	1.5
213.05615	1.1
215.03368	2.2
217.05075	1.4
218.05888	2.5
226.09709	1.4
229.01367	2.2
233.08264	1.5
239.07047	1.5
241.04376	1.2
243.02924	1.0
245.00957	7.2
253.08923	1.5
263.07623	1.2
267.06479	1.4
269.08334	1.2
281.04617	1.4
283.02530	1.1
295.05753	1.1
313.07288	1.3
313.10760	2.1
323.09473	1.1
329.10349	2.5
331.11850	1.5
341.10223	2.5
342.10870	1.1
343.11813	7.0
347.11349	2.9
356.08505	1.6
357.09735	2.4
357.13635	1.9
359.11316	13.0
360.11612	2.1
361.12833	3.2
369.09500	1.2
371.11319	100.0
372.11649	11.3
373.12888	10.5
374.13501	1.2
385.12741	1.1
387.10831	35.9
388.11551	6.7
389.12399	38.3
390.12558	3.1
401.12482	3.7
409.12836	1.7
413.12091	1.8
427.13882	2.9
476.10669	1.1
699.24518	2.0
713.22400	1.3
717.25262	2.8
725.21759	2.6
743.23413	63.9
744.23804	14.3
761.24597	29.4
762.25165	8.3
791.24658	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	791.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
55.13442	0.5
56.18661	0.6
57.03458	0.7
59.01388	1.0
61.98828	8.4
61.99118	0.6
65.04005	0.9
67.01900	1.2
69.03470	0.7
69.29727	0.5
69.31330	4.7
71.01406	1.8
74.64011	0.5
75.82370	0.4
79.05556	0.8
81.03496	1.2
83.01407	1.2
85.02983	0.6
87.00867	0.5
93.03500	1.8
95.01379	4.1
95.05068	1.3
96.99331	1.1
97.02982	1.2
99.00881	5.0
103.05573	1.3
105.03447	0.9
107.05061	2.6
108.02202	0.7
109.02951	9.6
110.00130	1.7
111.00887	7.9
113.72054	0.6
115.05520	3.7
116.92858	5.2
119.05074	2.1
121.02969	3.5
121.06635	0.9
123.00887	14.0
123.04569	1.8
124.01682	2.7
124.98808	1.0
125.02443	29.0
126.02784	1.1
129.03479	0.9
131.05042	4.3
133.02991	1.0
133.06627	1.2
135.04588	1.5
136.01625	4.7
137.02435	16.8
139.00374	11.1
140.01163	30.0
141.01939	10.7
143.05035	0.7
145.02939	1.3
146.03754	0.7
147.04521	3.1
149.02429	2.5
149.06113	1.7
150.03247	1.7
151.00403	1.9
151.04025	4.5
152.01120	2.8
153.01930	34.8
154.02457	1.7
158.03773	1.8
159.04498	10.2
161.02501	2.5
161.06137	1.0
163.04028	2.7
165.01939	2.6
165.05579	5.3
166.02721	1.9
173.04645	0.7
173.06085	0.8
174.03180	0.8
175.04012	7.5
176.01233	0.9
177.01981	1.9
177.05540	4.0
178.02670	0.9
179.03526	1.3
187.03999	3.4
188.04764	0.7
189.01991	0.8
189.05582	3.2
190.02742	1.8
190.06326	0.9
191.03558	1.5
191.05687	0.7
193.01514	2.7
193.05057	2.5
194.02200	2.7
201.05650	1.5
202.02715	2.5
203.03505	19.7
203.05319	1.1
204.03979	1.1
205.05048	3.0
208.03735	0.8
209.11929	0.7
217.05087	1.1
218.05852	3.2
219.03035	0.7
221.04536	2.6
222.05095	0.7
225.05630	0.8
227.03438	0.6
233.08240	1.5
239.07262	0.6
240.25005	0.5
247.02463	1.0
311.09204	0.7
313.10468	0.6
327.08627	0.7
329.06613	0.7
329.10410	1.3
331.11749	1.1
341.06509	0.9
341.10318	1.4
343.11874	1.9
355.08240	1.1
356.09015	1.4
357.09607	0.9
359.11328	11.4
360.11520	1.0
361.12967	1.5
369.09726	1.0
371.11334	85.4
372.11728	11.2
373.12955	9.4
374.13324	0.7
387.10837	100.0
388.11313	14.6
389.12378	16.7
390.12778	1.7
401.12457	1.3
428.95996	0.6
436.78528	0.5
457.25943	0.5
683.22040	0.7
717.25366	1.0
725.23468	0.6
743.23621	4.1
744.23669	1.0
761.24640	2.4
773.24329	1.4
774.24359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01347	0.4
61.98830	10.0
63.63544	0.3
67.01891	0.6
68.99815	0.5
71.01358	1.0
71.24419	0.8
78.95953	0.5
81.03452	0.5
83.01388	0.5
91.05524	0.4
93.03452	1.3
95.01395	1.8
97.02935	0.9
99.00880	3.6
103.05521	0.6
107.05016	1.2
108.02209	0.4
109.02956	2.5
110.00095	0.6
110.88915	0.3
111.00877	4.5
115.05509	1.3
116.92838	1.1
119.05012	1.1
121.02928	1.4
121.06644	0.8
122.03712	0.5
123.00889	5.9
123.04528	0.9
124.01641	1.5
125.01524	0.9
125.02444	17.2
126.02792	0.7
131.05048	2.0
133.02942	0.6
135.04482	1.2
136.01678	1.8
137.02429	4.1
139.00360	8.6
140.01155	13.0
141.01950	9.4
145.02966	0.6
147.04498	1.8
149.02440	1.1
149.06065	1.0
150.03148	0.6
151.00343	1.7
151.03981	1.6
152.01122	1.5
153.01935	25.2
154.02272	0.6
158.03694	0.8
159.04518	3.8
160.04814	0.5
161.02409	1.0
163.03981	1.3
165.01935	1.4
165.05573	2.4
166.02658	0.7
166.93066	0.4
171.10268	0.7
173.04590	0.5
173.06052	0.5
174.03258	0.5
175.03992	4.0
176.01060	0.8
177.01889	1.0
177.05507	1.4
179.03482	0.4
187.04015	0.6
189.05534	0.6
190.06328	0.5
191.03474	1.4
193.01355	1.1
193.05038	1.2
194.02133	1.5
202.02768	1.2
203.03490	11.3
204.03874	0.9
205.05144	0.7
218.05803	1.7
220.03822	0.5
221.04561	1.5
233.08162	1.2
245.00854	0.5
296.06775	0.5
329.10495	0.7
341.10248	0.4
343.11920	0.6
357.09750	1.0
359.11420	3.5
361.13049	0.4
369.09872	1.2
371.11328	9.8
373.12973	1.1
387.10831	100.0
388.11261	11.1
389.12534	3.2
743.23413	2.5
744.23865	0.7
761.24335	1.1
773.24835	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
68.49001	0.5
71.01395	0.7
71.54346	0.6
78.74801	0.5
81.03455	4.8
83.01369	3.7
85.02976	0.8
90.82964	0.5
93.03461	3.1
95.05036	5.3
97.02957	2.1
99.04541	2.2
109.02994	0.7
121.02978	1.3
123.04527	7.8
125.02453	11.9
135.04564	0.9
137.02437	4.3
137.06084	9.3
138.03250	0.6
139.04060	2.8
141.05588	1.0
149.02431	0.7
149.04752	0.5
151.03944	0.7
163.04005	2.1
165.01898	1.1
165.05551	3.8
167.03500	28.6
168.03926	1.3
175.00389	0.5
177.01933	1.6
177.05554	0.7
179.03519	3.5
180.04184	1.7
181.05051	2.2
183.06612	0.8
188.91354	0.5
191.03506	8.3
191.05592	1.6
192.03970	0.6
193.05022	0.9
195.13843	1.3
196.06993	0.4
205.05084	4.7
207.02963	1.2
208.03606	0.5
209.04558	100.0
210.04887	5.5
219.02919	0.6
221.04608	1.6
223.06090	1.3
231.06624	1.6
233.04541	18.6
234.04927	1.5
239.05675	3.6
251.05568	4.1
263.05655	1.7
275.05518	0.7
311.07761	2.7
329.08875	1.0
371.09824	80.0
372.10214	7.7
401.10974	1.9
437.10898	2.1
438.10983	0.5
491.14063	49.7
492.14401	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	791.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
60.86007	0.3
68.99802	0.4
71.01392	0.9
71.04987	0.3
71.54665	0.5
73.59318	0.3
81.03457	4.1
83.01361	3.5
85.02933	0.8
93.03458	2.5
95.05020	5.4
96.89576	0.3
97.02937	1.4
99.04497	2.0
109.02935	0.5
119.04996	0.7
121.02921	0.7
122.03732	0.6
123.04528	8.9
125.01520	0.8
125.02439	11.9
126.02769	0.7
135.04530	0.8
137.02454	4.7
137.06079	9.3
139.04005	3.6
141.05553	1.1
147.04523	0.7
149.02434	1.0
151.04004	0.4
156.18050	0.3
163.03970	1.4
163.99049	0.4
165.01927	0.6
165.05565	3.8
167.03485	26.2
168.03870	1.2
173.04239	0.3
175.00374	0.6
177.01912	1.4
177.05565	0.5
179.03485	4.9
180.04243	1.9
181.05098	1.7
189.01938	0.6
189.05733	0.4
191.03491	8.0
191.05566	1.6
192.03755	0.3
193.01399	0.4
193.05035	1.1
195.13863	0.8
197.15964	0.3
203.03426	0.4
205.05031	4.1
206.02209	0.8
207.02962	1.3
208.03758	0.8
209.04539	100.0
210.04878	5.6
219.02922	0.5
221.04550	1.7
223.06161	0.5
231.06554	2.1
233.04529	21.6
234.04921	1.3
239.05594	2.7
251.05595	5.7
252.05905	0.5
254.70825	0.4
263.05612	2.4
275.05530	0.9
280.31686	0.3
299.07455	0.6
311.07645	2.1
319.60455	0.4
329.08636	0.8
339.06967	0.4
353.08664	0.5
371.09796	80.9
372.10117	7.5
401.10895	1.9
437.10724	2.0
441.57022	0.4
491.14047	51.8
492.14429	6.1
704.39471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50585	0.4
56.97710	0.5
59.01367	1.3
61.98828	3.4
63.02394	0.9
64.64072	0.4
65.00314	0.8
70.60326	0.4
70.66810	1.5
71.96846	0.5
79.38613	0.4
80.05038	0.5
85.02941	0.8
96.95979	0.7
107.01385	1.4
109.02978	0.9
116.92841	0.8
120.60331	0.4
121.02932	0.8
125.02466	0.7
125.56120	0.5
125.70452	0.4
128.92776	0.5
133.02953	1.0
134.00075	0.5
135.00873	0.5
135.04527	0.5
143.04926	0.6
145.02939	0.7
147.00993	0.5
149.02426	0.5
151.00356	4.2
154.04234	1.0
156.02133	0.8
158.03661	0.7
161.02420	1.9
171.04478	1.6
174.03192	0.5
175.03946	1.2
178.99821	1.4
183.04524	0.8
186.03160	2.2
187.03981	1.0
189.01942	0.6
192.00587	0.6
193.05112	0.8
197.02373	0.6
198.03178	2.1
199.03943	3.9
200.04333	0.6
201.01947	1.1
214.02698	4.1
215.03445	2.2
226.02689	1.5
227.03555	4.0
229.01158	0.6
229.04913	1.1
241.01408	13.9
242.02180	10.8
243.02908	6.1
245.00882	8.6
254.02113	0.6
255.03004	3.6
256.03348	0.6
270.01672	35.5
271.02441	52.8
272.02850	4.3
273.00323	0.6
282.01624	0.8
283.02411	0.9
285.04037	4.8
298.01147	11.7
299.01935	100.0
300.02570	17.1
301.03424	5.8
313.03500	14.9
314.04196	3.6
328.05832	8.7
329.03064	0.6
329.06552	2.8
433.07748	1.1
461.07220	97.2
462.07874	35.0
463.08627	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	789.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.9
59.01379	100.0
60.01700	1.7
61.98830	9.2
69.44402	3.7
69.44824	3.0
71.01379	11.1
72.99282	0.8
73.02949	18.1
74.06981	0.9
75.00864	1.0
77.73691	0.8
83.00921	1.3
83.01387	20.7
85.02917	1.6
87.00856	1.6
88.98794	1.0
89.02436	2.0
93.03467	1.0
96.96008	0.9
97.06563	2.9
99.04508	1.0
101.02441	11.9
113.02455	4.7
121.02950	4.7
125.02428	2.1
133.02995	1.3
135.04510	1.6
135.10982	1.2
136.01668	1.1
136.57106	0.9
143.03476	1.2
145.02942	1.7
147.04465	1.0
149.02403	1.0
150.03195	3.4
151.03984	2.1
158.03725	1.1
161.04523	1.4
161.09694	1.3
163.03940	1.1
165.05540	3.8
165.12740	1.8
167.10750	3.9
173.04541	1.1
175.03992	6.2
177.01956	1.2
179.07048	1.0
187.11327	1.2
190.06343	2.8
191.05600	2.9
192.05923	1.0
195.06711	1.5
207.13945	2.2
209.11839	7.8
222.05237	2.9
225.14946	12.7
226.15245	1.1
227.12878	57.1
228.13197	2.5
233.11739	2.3
235.07610	2.2
239.07123	1.4
251.07188	1.7
251.12828	3.6
253.08653	2.8
261.05438	1.0
262.06201	1.2
263.07123	3.8
264.07611	1.8
267.06622	2.8
268.07263	1.2
268.10980	0.9
269.08160	5.6
269.13940	10.1
279.06638	5.0
280.07053	1.5
281.08237	10.7
282.08673	1.9
283.09604	2.6
287.11963	1.7
287.14984	22.0
287.18210	1.2
288.15359	1.8
291.06668	2.3
292.07394	1.5
293.08139	2.7
294.08765	4.5
295.09705	2.1
296.07138	1.1
296.10443	2.7
297.04428	1.8
297.07706	25.1
297.11008	2.0
298.07971	1.9
307.09702	1.4
308.10403	2.3
309.07758	40.6
309.11264	8.4
310.08206	5.1
310.11472	1.4
311.09299	1.4
311.14917	1.8
312.10028	21.0
313.10382	4.3
323.09186	7.7
324.09970	26.0
325.10425	5.5
327.12363	62.5
328.12692	7.9
329.16083	1.6
339.12354	50.3
340.12613	6.7
342.85114	1.1
353.15811	1.2
371.17032	3.3
409.45038	0.9
413.18201	2.3
431.19180	15.4
432.19470	2.3
542.49750	0.9
587.00073	1.0
686.76813	0.9
771.32330	5.2
772.32520	1.4
789.33362	96.8
790.33636	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	789.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
59.01379	18.5
60.01709	0.5
61.98831	8.1
71.01383	5.7
72.99316	1.2
73.02940	1.0
73.82479	0.4
75.87683	0.5
76.60722	0.5
80.05032	1.4
83.01405	1.6
85.02946	11.7
87.00866	0.7
89.02449	3.4
93.03432	0.6
94.06634	0.8
96.96016	1.5
101.02450	2.4
106.06613	2.1
109.03016	0.7
111.00893	0.9
113.02457	1.7
116.92802	0.6
119.03530	1.4
120.04523	1.4
120.08197	3.1
121.02988	0.8
121.05347	2.6
122.06120	19.9
123.04559	0.7
125.02441	1.1
129.01935	4.6
132.04549	5.5
134.03760	1.6
134.06128	10.7
135.06474	0.6
137.02470	0.9
146.06157	0.6
147.02994	1.6
148.07706	1.4
149.02449	1.1
149.06094	0.6
151.03954	0.5
152.01187	0.5
152.07155	0.7
160.06438	8.5
161.02455	1.1
164.04742	0.6
167.03471	1.4
173.00932	1.9
179.03563	0.8
191.01863	0.8
191.05536	0.8
193.05112	1.1
197.04401	1.0
197.07254	1.0
198.12849	1.2
204.64377	0.5
211.08772	0.8
213.10333	41.4
214.10609	2.4
214.12439	0.7
223.06154	1.5
223.08696	0.6
224.09427	0.7
225.10255	3.6
226.11089	3.3
227.11595	0.6
239.11848	10.2
240.12373	1.0
241.13454	22.1
242.13739	1.6
245.22102	0.5
251.08344	1.8
251.11920	3.5
252.12598	1.0
264.09039	0.9
267.11511	1.2
267.15051	8.8
268.15244	0.8
269.12976	0.8
271.02313	0.7
279.11380	9.8
279.34940	0.5
280.11740	1.6
283.02423	0.9
285.12442	71.8
286.12839	5.9
311.14053	0.6
358.15558	2.4
371.06155	0.6
371.16208	0.7
386.18863	1.1
402.15610	0.6
459.17651	2.9
565.24359	1.0
666.25629	1.2
673.28979	0.8
701.31122	2.4
702.32404	0.8
717.31213	1.6
745.30890	100.0
746.31219	23.9
757.29932	1.2
761.72308	0.6
771.28461	2.4
789.31659	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57971	0.9
57.03451	2.3
59.01380	34.8
59.25354	1.0
60.01725	2.1
64.86682	1.0
67.01899	1.2
69.03456	1.6
69.25726	7.9
71.01381	5.4
73.02950	2.4
75.00887	1.3
81.03453	8.4
82.16209	0.9
83.01379	11.4
85.02970	2.4
86.03273	1.2
93.03474	2.3
95.01402	1.6
95.05024	13.0
97.02953	6.0
99.00855	1.1
99.04523	3.6
101.02419	4.8
107.05019	6.0
108.02189	1.0
109.02953	4.4
111.00919	1.5
113.02473	3.9
119.05035	2.8
121.02960	2.3
122.03720	2.0
123.04530	20.2
125.02457	21.1
131.87704	1.0
133.06581	1.6
135.04530	14.4
137.02417	6.0
137.06097	16.3
139.04027	9.6
145.02971	1.1
147.04561	1.6
149.02425	1.5
149.06091	9.2
151.00406	1.3
151.04013	4.9
153.01921	1.2
155.03378	1.0
155.47169	1.0
161.04539	2.2
161.05981	1.5
163.00337	1.3
163.03983	4.9
164.04822	1.6
165.01930	3.1
165.05547	6.5
166.02672	1.2
167.03491	69.8
168.03824	2.8
175.03947	2.2
177.01991	2.0
177.05565	15.3
179.03494	17.7
180.04037	1.5
181.05104	4.6
187.03970	1.4
189.05649	2.4
191.03499	5.2
191.05684	1.3
193.05072	10.8
195.02992	1.5
197.04604	5.1
203.03529	1.2
205.01465	2.8
205.05112	5.1
206.02161	8.2
207.02957	9.3
207.06590	1.7
208.03613	1.4
209.04543	100.0
210.04929	6.5
217.05002	2.2
219.02985	9.8
219.06737	1.0
220.03654	2.7
221.04559	23.3
222.04988	2.3
223.06087	2.1
231.28168	1.0
233.04498	5.3
235.06059	5.9
235.11861	4.6
236.12335	1.4
237.04022	2.1
239.05600	40.0
240.05914	1.8
248.03288	3.6
249.04030	69.2
249.51176	1.0
250.04330	5.5
251.05612	15.0
261.04077	8.6
262.04343	1.3
263.05573	11.5
265.07169	1.4
267.05182	1.6
275.05511	2.1
277.03625	1.1
277.12894	2.4
278.04022	1.3
279.05087	36.9
280.05438	2.7
281.06656	9.1
291.05106	5.8
293.06741	4.6
297.06140	3.1
303.05109	2.9
303.08618	2.4
304.09122	1.1
305.09445	1.8
309.06128	5.2
311.07849	5.8
313.05936	1.1
321.06146	9.2
329.08759	22.6
330.08960	1.2
333.06082	2.4
339.07181	37.5
340.07516	3.4
351.07217	10.0
369.08240	82.7
370.08475	9.0
371.09644	1.2
380.94171	1.0
387.16614	1.4
399.09192	1.3
441.10431	7.3
459.11447	75.0
460.11850	8.2
526.54474	1.4
549.12622	3.5
549.74432	1.1
653.31293	1.3
669.16663	16.2
670.16882	2.0
771.19409	1.7
785.80365	1.2
789.20874	15.4
790.20795	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	788.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60186	0.3
56.05473	0.3
58.02973	50.5
59.01371	4.2
59.03323	0.6
70.02980	0.9
71.01397	0.7
71.54562	0.4
71.54958	0.4
72.00912	0.4
87.00918	0.5
88.04076	0.4
88.98817	0.4
89.02456	0.9
91.05557	0.5
93.03485	0.5
101.02435	0.5
101.66226	0.2
103.05564	0.5
113.02471	0.4
119.03519	0.5
119.63595	0.3
132.03012	0.4
135.04538	0.3
137.02417	0.4
137.38628	0.2
147.04510	5.7
149.02448	1.0
149.04619	0.5
162.09180	0.4
163.04034	0.5
164.04892	1.1
164.07161	38.0
165.07518	2.1
173.04547	0.3
174.97295	0.3
179.07275	0.3
184.63449	0.3
191.05620	1.1
193.01396	0.3
206.08208	100.0
207.08542	6.4
208.03761	1.0
209.04063	0.4
223.06117	2.2
224.06435	0.7
250.07169	3.2
385.11383	0.3
386.12094	0.3
387.16568	2.0
729.18756	0.3
746.78931	0.4
811.63910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74464	1.0
57.03449	2.2
57.13822	1.0
59.01104	1.8
59.01381	21.4
61.98833	21.6
67.85474	1.0
68.09264	1.1
71.01010	1.8
71.01385	22.8
73.02955	6.4
79.01871	1.0
80.05033	1.3
80.57330	1.1
80.83098	1.0
81.03475	1.1
83.01380	4.4
85.02945	10.9
87.00875	3.5
89.02448	7.0
95.01391	2.2
96.96008	4.1
99.00880	2.4
101.02451	6.4
106.06643	7.9
107.03790	1.7
113.02460	7.9
119.03510	3.8
119.92553	1.2
120.08186	5.0
121.02956	1.8
122.06128	31.5
125.02438	5.4
129.01971	1.4
132.04556	2.9
134.06125	53.5
135.04579	1.3
135.06450	2.5
136.07742	2.3
137.02441	2.9
146.06113	1.3
148.07706	2.5
150.05577	2.3
151.00372	1.2
152.01253	1.4
152.07164	7.8
154.77689	1.1
158.02443	3.8
160.04071	1.9
161.02475	2.0
164.07135	1.7
167.03484	2.0
175.02640	1.3
175.04103	1.6
179.03445	1.1
190.05103	11.7
191.05637	1.5
192.06642	2.6
197.10851	2.2
207.09433	1.2
221.10861	7.7
223.08653	2.0
224.09496	1.9
225.10298	5.6
227.11876	1.9
234.07980	1.3
236.09479	1.3
237.10326	5.4
238.11015	1.3
239.11885	5.0
245.87947	1.3
247.08746	1.3
248.09454	1.4
249.06526	2.2
249.10370	6.9
250.11020	1.3
251.08229	3.7
251.11896	5.4
252.12543	1.2
261.10391	2.4
262.11005	1.3
263.08249	9.1
263.11951	1.5
264.09045	8.2
265.09799	8.0
269.12964	2.0
271.10849	2.1
276.09027	3.1
277.09787	12.4
278.10535	3.4
279.11380	14.5
279.14169	1.8
280.11960	1.9
281.12802	1.2
290.07059	1.8
290.10489	1.8
291.08347	1.8
291.11380	8.9
295.11050	1.5
296.11517	3.4
304.08524	1.8
305.09314	15.8
305.12756	1.9
306.09723	2.1
307.10910	3.0
309.08624	1.9
309.12207	1.7
317.09320	2.1
318.16199	1.9
323.10263	2.8
324.11069	1.2
328.14514	1.3
335.10471	1.4
337.11804	6.3
342.16074	8.2
360.17172	1.2
370.15402	2.8
372.17163	3.3
384.17212	3.5
385.17917	1.3
386.14679	2.6
386.19080	2.3
396.13177	1.8
398.15054	2.2
401.66086	1.1
402.17923	1.3
410.14856	1.8
412.16675	3.1
418.17020	1.2
424.16693	1.2
425.17215	1.2
426.18375	2.6
427.19016	1.4
428.16019	1.5
430.17664	3.1
444.19043	1.9
452.15814	2.9
453.16898	2.4
470.17218	1.9
471.17789	2.2
472.18527	7.3
473.19153	2.0
512.18042	1.3
522.23242	1.3
575.23181	1.9
588.24500	1.8
592.22711	3.5
593.23810	3.9
594.24548	2.1
625.26880	2.4
632.22510	10.5
633.22778	5.2
635.25287	1.8
636.25714	1.5
652.24396	1.4
664.25128	100.0
665.25665	20.8
667.26855	1.7
687.30334	1.5
711.30670	2.2
713.28369	10.7
714.28729	3.3
724.26080	2.2
727.28577	1.3
755.29291	52.2
756.29773	12.1
787.31964	78.9
788.32245	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	787.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
58.00592	0.5
59.01376	16.6
61.98829	100.0
62.98546	0.8
62.99254	0.4
63.99248	0.7
66.80691	0.4
69.41489	2.8
71.01381	7.5
71.05045	0.6
72.99324	0.6
73.02943	1.4
79.95738	0.4
81.03481	0.4
83.01378	0.8
83.05022	1.1
85.02944	2.2
87.00878	2.5
89.02445	6.7
89.02956	0.7
90.02808	0.4
93.03452	0.7
95.01395	1.0
95.05034	0.5
96.96011	0.7
99.00848	0.5
101.02429	3.6
102.38432	0.4
107.05029	1.5
108.02177	0.9
109.02973	2.2
113.02424	2.5
116.51489	0.4
119.03481	1.8
120.05806	1.5
121.02887	0.6
123.04503	0.9
125.02435	0.8
135.04541	1.0
136.01649	4.9
137.02434	1.6
146.03691	0.8
150.03233	0.4
151.04028	4.5
152.04855	0.6
159.04501	0.7
159.08083	0.5
159.11826	0.7
160.05292	0.5
161.09724	6.5
161.13333	1.9
162.03206	0.6
163.03918	0.8
163.11218	1.3
164.04776	0.9
165.05571	0.9
171.04572	0.5
173.06058	0.6
175.03995	0.4
179.05635	0.8
179.07100	0.9
179.10794	0.7
186.61372	0.4
187.03987	1.3
187.11296	7.0
188.04778	1.1
188.11655	0.6
189.09230	4.1
191.05667	1.2
201.05646	0.5
202.06360	1.3
205.12354	2.7
207.10237	1.3
223.13354	1.7
231.10158	0.6
249.11351	4.0
263.07205	1.0
267.12399	2.3
268.24606	0.4
275.07266	0.5
278.09271	0.6
279.06525	1.2
280.07309	0.5
281.08005	0.6
291.06650	0.8
294.08899	0.9
295.06244	0.5
295.09644	0.4
308.10501	0.6
309.07849	1.0
309.11130	1.0
323.09204	1.3
324.09940	4.0
325.10648	2.2
327.12332	1.6
337.10757	0.8
339.12332	13.3
340.12665	1.2
344.58124	0.5
369.15463	0.5
415.16110	0.4
429.17691	1.6
433.98660	0.4
519.18768	1.3
523.18115	1.3
535.76538	0.5
537.12073	0.7
537.19684	8.0
538.20148	0.9
625.26733	1.4
663.25677	0.5
664.27960	0.6
769.30750	4.7
770.31702	1.1
787.31781	29.9
788.32117	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	787.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	6.2
58.00592	2.4
59.01377	86.5
60.99290	4.7
61.98827	41.9
67.01888	1.7
68.95883	1.2
69.03433	2.4
69.29681	11.9
71.01382	44.8
72.99322	3.3
73.02943	25.0
74.55080	1.2
79.95722	1.8
80.96513	7.1
83.01378	6.7
83.05030	4.2
85.02966	8.2
87.00868	12.6
88.98802	18.9
89.02446	24.0
93.03463	14.9
94.98071	1.5
95.01369	1.8
96.96016	2.1
97.06525	1.2
99.00893	1.8
99.04572	1.6
101.02446	27.5
105.17374	1.2
107.05015	5.4
108.02157	2.8
109.02947	8.4
111.04512	3.0
113.02448	13.0
119.03490	8.5
119.05065	1.8
120.05811	3.5
121.02950	3.4
122.03755	1.5
123.00919	1.4
123.04547	3.2
125.02445	6.9
129.10330	1.5
131.03473	2.4
134.03723	5.2
135.04549	16.7
135.08154	1.7
136.01649	18.0
137.02469	6.3
143.03511	2.6
147.04518	2.3
147.08148	1.9
149.02440	2.3
149.04559	3.2
150.03198	4.5
151.04013	21.6
152.04720	2.9
153.01781	1.2
155.03531	1.9
155.09027	1.3
157.06516	1.4
159.04495	2.7
159.08165	1.4
160.05222	2.1
161.04520	6.5
161.05737	1.3
161.09721	26.2
161.13336	5.9
162.10002	2.1
163.03996	3.0
163.11281	3.9
164.04825	2.6
165.05544	4.6
165.76003	1.6
171.04578	1.5
173.04576	14.2
173.06012	3.0
175.03941	3.1
178.02763	1.2
179.03429	4.1
179.05511	3.8
181.05038	1.7
187.03989	5.8
187.11252	25.3
188.04758	3.6
188.11668	1.4
189.05540	1.6
189.09227	13.3
191.05598	10.3
191.07071	1.9
195.06551	2.6
202.06261	4.1
203.07115	2.4
203.10736	2.4
205.12283	5.4
207.10236	5.9
209.11865	1.7
221.11763	1.7
223.13429	6.4
225.00702	3.0
229.12144	1.6
231.10204	2.5
235.07742	2.1
235.81810	1.4
249.11226	15.0
251.07074	1.5
263.07172	3.2
264.07877	1.5
267.06479	2.2
267.12405	7.9
277.08658	1.8
279.06607	7.8
280.07379	1.6
282.08801	1.5
291.06744	1.5
293.08182	3.6
294.08905	4.2
297.11218	2.7
308.09161	2.7
309.07535	3.1
309.11127	1.7
312.09995	3.8
319.16632	3.9
323.09134	3.4
324.10016	12.8
325.10559	4.2
327.12259	10.4
339.12335	46.7
340.12701	4.2
352.08069	6.1
357.13431	2.8
369.15579	3.2
387.14270	2.1
411.16586	1.6
429.17526	4.9
442.15897	1.5
449.14316	4.9
467.15582	15.3
468.15851	1.5
492.17560	1.7
505.17392	1.8
519.18762	4.9
523.17999	5.2
535.19934	4.8
537.19824	35.7
538.19794	5.0
619.76105	1.4
663.26129	3.1
695.24176	1.4
769.30701	23.2
770.31055	4.3
787.31982	100.0
788.32379	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
57.03446	6.0
58.00579	1.5
59.01380	74.8
60.99301	4.3
61.98828	27.1
67.56512	1.1
69.44869	7.9
71.01381	31.0
72.01739	1.4
72.99273	2.8
73.02952	14.2
79.05555	1.8
79.95740	1.3
80.96527	6.2
83.01401	5.5
83.05028	5.1
85.02928	8.8
87.00871	13.0
87.12652	1.4
88.98801	15.7
89.02444	23.1
93.03457	11.3
94.98043	1.2
95.01379	2.0
96.96034	1.6
97.06558	1.7
101.02443	24.6
107.05024	6.1
108.02165	3.2
109.02959	6.6
111.04515	2.4
113.02432	11.4
119.03481	8.7
119.04939	1.3
120.05782	4.5
121.02959	2.9
122.03705	1.4
123.04536	1.7
125.02408	3.5
134.03766	3.2
135.04527	14.4
135.79684	1.2
136.01653	18.6
137.02466	5.5
143.03481	1.6
146.07393	2.3
147.08125	1.5
149.02422	2.5
149.04546	2.1
150.03185	3.8
151.04013	20.3
152.04732	3.5
157.06578	1.6
159.04489	2.7
160.05292	1.6
161.04568	2.9
161.06000	1.2
161.09708	28.3
161.13371	6.2
163.03961	2.4
163.11255	2.2
164.04732	1.5
164.07080	1.6
165.05560	3.8
171.04561	2.5
171.11349	1.2
172.05324	2.3
173.04527	8.7
173.06012	3.0
175.03976	2.6
175.11266	1.1
176.04759	1.5
179.03473	3.1
179.05557	4.0
179.07011	1.3
179.10818	1.3
187.03995	5.8
187.11256	26.6
188.04767	3.2
188.11610	2.5
189.09221	15.1
191.05602	10.0
195.06610	3.3
201.05699	2.3
202.06329	4.4
203.07147	3.3
203.10732	3.4
205.12328	8.0
207.10236	4.7
215.07043	1.5
223.13373	6.7
225.00864	1.4
249.05418	1.6
249.11322	14.3
251.06943	2.1
254.40659	1.3
263.07111	4.3
267.06488	2.2
267.12323	7.4
275.07187	1.6
278.09378	3.2
279.06540	7.2
282.08960	1.7
284.41589	1.1
285.03848	1.7
289.07062	1.6
291.06534	1.5
293.08197	2.2
294.08978	5.9
295.09543	1.7
297.11310	3.1
308.10074	1.5
309.07700	5.1
309.11349	4.0
312.09976	2.6
319.16611	3.5
323.09271	4.2
324.09937	16.4
325.10571	6.5
327.12332	11.0
328.12781	1.9
339.12335	55.0
340.12625	6.1
352.07993	4.1
357.13562	2.0
369.15500	4.0
429.17844	6.3
430.17789	1.6
449.14218	3.2
467.15533	9.6
468.16263	1.9
505.17212	1.7
519.18665	4.9
520.18762	1.3
523.18042	4.6
535.19623	4.0
537.19733	37.2
538.20227	6.5
540.61670	1.2
656.54053	1.3
663.26636	5.2
735.84235	1.3
769.30573	23.0
770.31696	5.6
787.31860	100.0
788.32050	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03453	0.7
58.02978	0.4
59.01382	100.0
60.01726	1.2
62.80643	0.3
65.00338	0.4
69.03445	0.4
71.01387	7.7
71.54633	0.4
72.99330	0.3
73.02944	3.5
83.01390	3.0
85.02954	7.1
87.00918	0.4
89.02448	0.4
90.13182	0.3
93.03433	0.4
95.01382	0.5
95.05025	0.8
95.30222	0.4
97.02952	3.5
99.00895	1.1
101.02450	10.4
108.02230	0.6
109.02969	0.4
111.00900	0.6
113.02473	3.4
121.02955	0.4
122.03768	1.0
123.04551	1.3
125.02463	1.6
129.01961	1.3
134.03677	0.4
135.04539	0.3
137.02408	1.8
138.03148	0.4
139.04108	0.5
143.03532	0.4
148.01656	0.4
149.02464	0.6
151.00409	1.4
151.04048	0.6
153.01924	0.5
159.03015	1.3
161.04539	3.3
162.03267	0.4
163.04082	0.5
165.01971	0.8
167.03545	1.9
175.04070	0.3
179.03542	1.1
191.05539	0.3
193.01497	0.9
198.50465	0.3
201.05606	0.6
202.06361	0.5
206.08267	0.9
207.03032	0.6
209.04597	0.8
217.08727	0.5
219.06662	0.5
220.07497	1.4
235.09837	0.7
235.11879	18.6
236.12343	1.1
244.07433	1.2
249.04201	0.6
259.09732	0.4
261.07874	0.4
270.05444	0.5
277.12939	12.4
278.13348	1.1
279.05109	0.6
285.04337	0.7
285.07831	1.1
303.08749	18.8
304.09198	1.2
313.05655	1.6
321.11984	0.4
327.08719	2.4
329.08853	0.4
341.05164	0.4
457.10013	1.7
465.14209	1.2
566.84418	0.4
787.20386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37805	0.7
59.01380	100.0
60.01704	0.9
61.98814	2.9
68.99569	0.8
69.03452	0.6
71.01382	6.0
71.54444	1.1
85.02961	0.9
88.20140	0.6
89.02452	0.7
92.33315	0.6
93.03464	1.0
95.01397	1.2
108.02213	0.5
109.02958	0.8
112.98572	0.8
119.23241	0.6
123.00865	4.6
123.12640	0.6
125.02461	1.5
127.96400	0.6
135.04549	0.8
137.02411	1.0
151.03963	0.7
171.10272	5.1
191.05644	2.1
199.09904	0.9
201.11249	1.1
206.64540	0.6
209.11839	2.1
225.11153	0.9
227.12975	0.9
245.19150	0.7
253.09167	0.9
257.62210	0.7
278.95071	0.7
307.08752	0.6
307.19226	1.6
325.10983	1.4
343.12067	0.7
371.11270	7.8
372.12097	1.5
406.28625	0.8
448.11780	1.6
697.22937	11.9
698.23425	1.8
787.42523	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03442	0.6
58.00610	0.3
59.01381	100.0
60.01721	0.7
65.00311	0.4
71.01385	6.7
72.99345	0.3
73.02951	3.9
81.03478	0.5
83.01381	2.9
85.02952	5.9
89.02460	0.9
95.01414	0.8
95.05032	0.7
96.96020	0.3
97.02953	2.8
99.00892	1.4
101.02448	10.4
105.54612	0.3
107.01403	0.4
108.02210	0.3
109.02935	0.3
111.00903	0.3
113.02455	3.5
122.03778	0.9
123.04534	1.2
124.01665	0.4
125.02482	1.3
129.01976	0.9
135.04524	0.5
137.02452	2.2
139.04033	0.7
143.03543	0.4
149.02431	0.6
150.03249	0.4
151.00339	2.2
151.04033	0.5
159.03024	0.9
161.02568	0.4
161.04559	4.3
163.04021	0.5
165.01971	1.3
166.02774	0.4
167.03487	2.3
173.00830	0.4
179.03589	1.0
193.01463	1.5
193.05128	0.3
195.03011	0.4
201.05602	0.4
202.06418	0.3
204.04286	0.5
206.08287	0.5
207.03030	0.5
209.04601	0.8
210.65405	0.4
217.08812	0.7
219.06729	0.5
220.07466	1.0
223.02412	0.3
235.09747	1.0
235.11862	19.0
236.12299	0.9
239.05644	0.5
244.07506	1.2
249.04247	0.5
259.09793	0.7
277.12903	13.5
278.13379	0.6
285.04190	1.3
285.07791	1.3
303.08743	20.3
304.09091	1.6
307.08615	0.5
313.05643	2.3
321.12149	0.6
327.08704	2.5
328.08984	0.4
337.06042	0.4
367.06766	0.4
392.27075	0.3
431.32266	0.3
457.09933	1.8
465.10599	1.4
465.15250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
61.98830	100.0
71.01354	0.8
81.58945	0.6
85.02973	1.7
90.41910	0.7
91.75597	0.6
96.96030	1.2
98.19921	1.4
105.98490	0.7
116.92864	1.0
125.02475	1.9
151.00417	1.3
161.02478	1.2
183.10292	1.0
186.03226	0.8
196.18047	0.8
214.02740	1.5
215.03285	0.8
233.12041	0.7
241.01398	6.0
242.02147	4.2
243.03009	1.8
245.00880	5.6
255.02994	1.0
270.01685	11.3
271.02451	12.7
272.02979	0.9
298.01144	6.0
299.01953	27.3
300.02603	2.9
301.03488	1.2
461.07306	3.5
462.34424	0.7
562.20807	19.3
563.21448	2.9
594.11664	0.7
724.26062	31.1
725.26471	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	787.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.4
61.98825	12.3
63.46634	1.4
68.23043	1.6
69.03462	3.7
71.01366	2.8
71.54076	2.0
93.03432	3.7
95.01365	4.5
109.02956	13.2
110.03231	1.8
121.02961	8.9
122.03772	1.5
123.00894	2.7
123.04538	4.3
125.02438	2.2
127.40444	1.5
134.58813	1.4
137.02467	20.3
143.05013	2.0
147.04456	3.0
149.02475	2.0
159.04562	5.1
161.06038	2.1
175.03925	3.7
176.04762	15.2
176.23219	1.6
177.05563	1.8
187.04016	5.7
189.05516	2.6
243.58334	1.8
272.43222	1.6
311.09143	3.5
327.08676	18.6
328.08926	1.8
341.10287	49.5
342.10553	4.5
355.08203	100.0
356.08487	8.8
357.09784	2.7
372.11688	2.1
373.11996	3.5
374.12003	3.0
427.08386	1.7
669.19373	3.0
679.17865	2.2
697.18927	14.7
739.73639	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	787.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01388	1.7
61.40239	0.7
61.98831	100.0
66.23998	0.5
70.44067	1.3
71.01408	2.0
83.01385	0.8
85.02961	1.9
89.02462	0.7
96.96008	1.7
98.90615	0.6
107.63878	0.5
109.02966	0.7
114.90440	0.5
116.92839	0.9
121.02936	0.6
123.04525	0.7
125.02475	1.7
129.01945	0.8
134.06133	1.8
137.02428	0.9
149.02446	0.7
151.00400	1.1
151.04030	0.8
158.03767	0.6
161.02446	0.9
177.01994	0.6
214.02724	1.3
215.03120	0.7
236.15868	0.6
241.01439	5.4
242.02159	2.8
243.02950	1.4
245.00926	4.0
255.02930	0.9
270.01727	8.3
271.02463	6.5
272.02786	0.7
289.07257	0.8
298.01093	6.7
299.01956	19.3
299.05319	1.1
300.02600	2.7
315.31375	0.6
356.14828	0.6
433.07867	0.8
461.07199	6.5
462.08002	1.2
544.96436	0.7
562.20612	10.0
563.21399	1.1
580.00500	0.7
625.25641	0.7
709.77332	0.6
724.26154	20.1
725.26379	5.0
754.28296	1.7
755.28632	4.2
787.31097	5.1
788.31171	0.8
808.87567	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
59.01376	1.7
61.30372	0.2
65.00324	1.3
68.99816	0.4
69.03459	0.3
70.65611	0.5
71.01379	2.4
72.99313	0.6
81.03451	2.6
83.01380	5.7
85.02951	0.9
87.00868	1.4
89.02451	0.9
93.03478	0.7
95.05029	1.0
97.02940	0.3
99.00888	0.8
101.88883	0.2
105.01939	3.5
105.03462	2.1
107.01404	1.8
108.02184	0.4
109.02960	0.5
111.00864	0.3
115.00383	1.7
119.05034	0.3
121.02954	1.5
123.04528	13.1
124.04842	0.5
125.02448	4.7
127.00391	1.0
129.01958	0.4
135.00894	0.3
135.04550	2.0
137.02454	2.5
137.06065	1.1
139.00327	0.3
139.04054	0.8
140.73605	0.3
141.01956	0.3
145.01428	6.8
147.04575	0.3
149.02443	7.5
149.04489	3.4
150.02821	0.3
150.04715	0.3
151.00371	5.3
151.04027	0.7
152.00760	0.3
153.01930	0.4
159.42085	0.2
161.02438	0.7
163.00385	1.1
163.03992	1.8
165.01932	1.0
165.05472	0.3
167.03494	40.3
168.03864	1.6
175.04059	0.3
177.01923	0.3
177.05580	0.3
178.02777	0.3
179.03497	14.2
180.03828	0.7
181.01422	0.4
181.05067	0.9
189.01994	0.3
190.99817	0.6
191.03508	2.0
191.05524	0.5
193.01413	59.9
194.01764	2.8
195.02982	18.7
196.03331	0.8
203.03520	0.7
205.01424	0.6
205.03355	0.3
205.05069	0.8
206.02226	1.6
207.02983	24.9
208.03329	1.4
209.04547	4.1
210.04982	0.3
211.02478	3.7
217.01459	0.6
219.02942	1.0
221.00941	0.6
221.04565	1.5
223.02475	10.1
224.03067	1.4
225.04042	11.8
226.04385	0.7
231.02921	0.7
233.04588	4.9
234.04890	0.3
235.02419	1.9
236.02817	0.3
237.04108	1.2
239.05688	1.2
247.02483	0.6
249.03966	0.8
253.03522	3.3
261.04004	0.3
263.05637	0.7
265.03528	2.3
267.05045	0.7
271.02493	0.3
275.05655	1.5
277.03503	0.9
279.05154	0.4
283.04562	0.4
295.04553	2.2
300.02814	0.8
305.06726	0.8
311.07739	1.5
313.05643	100.0
314.06021	6.3
329.08582	0.8
337.05554	1.4
350.08026	0.3
353.08713	2.9
354.09143	0.4
367.06314	0.4
457.09860	2.3
473.13010	3.0
474.13657	0.3
527.33618	0.3
625.13556	0.5
641.17188	0.4
667.15399	0.5
761.10223	0.3
769.18756	0.3
787.19293	5.7
788.19623	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
59.01376	2.0
59.19798	0.1
61.98828	100.0
62.98530	0.2
67.96973	0.1
71.01383	1.0
71.54681	0.1
73.02950	0.3
78.95904	0.1
80.96494	0.2
83.01346	0.1
83.05006	0.2
85.02960	0.3
87.00883	0.4
89.02438	1.0
93.03489	0.4
95.01376	0.1
95.05019	0.1
96.96024	0.3
101.02471	0.3
107.05058	0.2
109.02976	0.3
113.02453	0.2
119.03520	0.3
123.04528	0.1
123.08025	0.1
125.02443	0.5
135.04550	0.2
136.01682	0.7
137.02467	0.4
143.05008	0.1
146.03763	0.1
149.02464	0.1
149.04564	0.1
150.03156	0.2
151.03996	0.7
152.04785	0.1
157.07768	0.1
161.09750	0.8
161.13364	0.3
162.03217	0.1
163.03883	0.1
164.04723	0.2
165.05573	0.2
167.03430	0.1
173.04558	0.2
173.05998	0.2
175.04007	0.2
179.05609	0.2
179.07118	0.1
179.10823	0.3
180.11133	0.1
187.03998	0.2
187.11287	0.9
189.09195	0.5
191.05629	0.7
201.05638	0.1
202.06416	0.2
205.12375	0.3
207.10242	0.3
209.11823	0.2
223.13377	0.5
249.11436	0.5
260.69684	0.1
263.07025	0.1
265.93323	0.1
267.12427	0.5
279.06628	0.2
289.07181	0.3
294.09070	0.2
298.08060	0.1
309.07700	0.2
311.39047	0.1
323.09424	0.2
324.10107	0.6
325.10858	0.1
327.12531	0.3
339.12302	1.7
429.17554	0.2
477.14310	0.1
509.71530	0.1
523.18262	0.1
537.19672	1.0
618.63428	0.1
624.27612	0.3
769.30298	0.8
786.33368	0.2
787.31799	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	785.304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.5
59.01378	18.3
61.41189	0.8
61.98819	3.2
68.99789	0.8
69.76534	3.9
71.01378	19.2
72.99319	1.1
73.02942	7.3
80.05049	2.9
83.01364	3.5
85.02948	12.2
87.00858	2.9
89.02448	6.4
94.30707	0.7
95.50513	0.7
96.96004	2.8
98.20650	1.0
99.00877	2.2
101.02435	6.0
102.38966	1.0
106.06621	6.7
108.04571	1.2
113.02431	6.3
116.05009	1.2
116.92795	0.9
119.03510	0.9
120.04487	1.1
122.06123	5.7
122.37720	0.8
125.02414	1.5
129.01889	1.1
130.02951	0.8
132.04572	4.6
134.03819	1.5
134.06119	42.5
135.06425	2.3
146.06134	1.5
147.02975	1.1
149.97769	0.8
152.07210	4.3
158.02451	3.0
158.06071	0.9
160.04016	5.1
166.58148	0.8
190.05115	6.0
191.02008	1.1
191.05469	1.0
192.06631	2.3
193.04987	1.5
197.07088	0.9
211.08806	1.3
213.10281	10.6
225.10315	4.0
227.11815	2.1
237.10471	1.0
239.11868	4.9
241.13483	1.8
249.06583	1.3
249.10251	1.8
251.11899	2.3
262.07419	0.9
263.08255	1.8
264.90726	0.8
265.09723	2.4
267.11380	9.2
277.09714	2.9
279.11359	2.4
285.12411	5.8
291.07751	0.8
293.09229	2.6
293.13010	0.8
296.11533	1.1
297.12512	1.0
304.08350	0.9
305.09253	3.1
309.08890	1.2
313.13364	2.0
314.09128	0.9
315.10086	0.9
316.14633	4.9
319.10632	0.9
324.11417	3.7
324.14957	0.9
325.11963	1.3
327.13483	6.5
328.10825	2.1
328.14395	2.2
330.12601	1.2
332.17697	1.0
337.12003	3.7
340.11002	1.1
340.14511	15.3
341.11478	1.0
341.15103	1.7
342.12335	1.4
343.13269	1.9
344.13901	2.0
354.12518	1.7
355.13162	1.0
356.13913	6.5
357.14716	1.6
358.15637	5.5
366.12387	1.7
368.10226	2.9
368.14105	1.9
369.10962	1.8
370.15607	2.4
372.13266	1.5
372.17334	1.4
381.10965	0.8
382.11472	1.5
382.15573	2.2
383.12378	1.2
384.13348	10.3
384.16739	1.0
385.13559	1.4
396.13556	4.3
397.13986	2.9
398.15018	10.5
399.15262	1.1
400.16812	3.0
410.15012	3.9
410.94693	0.9
411.14963	1.3
412.16562	5.5
413.17120	1.3
426.14325	3.9
427.15387	1.1
438.14304	4.3
444.15454	2.0
489.19067	1.0
503.21176	0.8
505.22656	1.5
531.20313	1.3
532.20471	0.9
545.22430	2.0
563.22540	1.1
573.21405	4.1
591.22882	4.2
592.22925	3.9
623.24713	1.4
625.28638	1.0
685.28882	2.0
711.26611	3.4
712.27203	2.6
753.27722	100.0
754.28064	24.8
785.30341	96.2
786.30682	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03440	0.9
58.00582	1.1
59.01381	30.4
70.17368	0.3
70.79905	0.8
70.80271	0.4
71.01385	15.5
72.01733	0.4
72.99316	2.5
73.02943	0.5
83.01397	1.1
84.02126	0.4
85.02955	4.1
86.98378	0.3
87.00867	0.5
89.02448	15.5
95.01382	1.3
96.96049	0.5
100.62697	0.3
101.02450	10.2
113.02458	4.8
116.78819	0.3
119.03513	5.3
121.02933	0.5
125.02449	0.6
133.02937	0.4
135.04552	0.8
138.03235	0.5
151.00357	0.4
159.04512	0.7
161.02443	0.3
161.04503	0.6
167.03497	0.5
173.02405	0.3
175.03996	1.2
177.05602	0.4
179.03468	0.4
179.05539	0.9
191.05649	0.5
197.15591	0.4
203.03496	8.6
204.03973	1.1
218.05830	11.7
219.06261	1.1
221.04588	0.6
233.08197	8.6
234.08539	0.5
236.06914	1.6
241.14438	1.8
242.14824	0.3
250.04872	0.6
251.09198	1.0
283.15561	0.8
299.01944	0.3
306.05612	0.3
307.05936	0.4
309.07718	0.7
325.07120	0.6
335.05557	0.6
353.06717	2.8
368.09039	3.4
369.09067	0.5
383.00897	0.3
383.11298	3.6
384.11487	0.6
533.13342	0.9
533.61768	0.3
548.15271	1.6
563.17694	100.0
564.18079	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	785.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	1.4
71.54211	0.6
95.01424	0.5
98.20026	0.5
103.84479	0.5
108.90202	2.3
115.41753	0.5
120.02190	0.7
121.02960	100.0
122.03308	3.8
136.01619	0.8
165.01910	2.4
181.06596	3.0
191.03508	2.7
209.04555	74.6
210.04893	4.2
225.05620	2.7
243.15756	0.5
248.25325	0.5
313.07138	4.7
357.06097	2.5
366.08057	0.6
401.08737	13.4
402.09122	1.7
407.97623	0.5
518.54260	0.6
575.11975	0.7
741.13293	0.6
785.17047	1.4
786.18121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
61.98811	0.5
64.36724	0.4
68.99813	0.8
69.40906	2.8
71.01376	0.7
78.95896	0.5
81.03458	0.4
81.37250	0.4
84.02169	5.1
85.02967	0.7
89.02436	0.5
91.05508	0.6
93.03438	1.1
95.01381	0.5
98.19851	0.5
101.02444	0.5
101.51756	0.4
107.01373	0.9
107.05027	0.8
108.02180	0.9
109.02976	2.8
117.97502	0.6
119.05020	1.0
121.02956	2.5
121.06674	0.4
123.00897	1.1
123.04549	1.0
124.01663	2.1
125.02468	2.0
131.05054	0.4
133.02971	0.7
133.06596	0.9
135.04523	1.4
135.68405	0.4
136.01663	2.4
137.02434	3.2
138.03227	1.2
139.03983	0.6
145.02983	0.7
145.06592	0.9
146.03795	0.6
147.04475	0.5
149.02444	2.2
149.04541	1.5
149.06004	0.4
150.03207	1.4
151.04019	1.9
152.01129	1.1
153.01953	2.1
159.04495	1.2
161.02437	1.3
161.06039	1.0
162.03192	0.6
163.04005	2.7
164.04703	0.6
165.01921	4.0
165.05611	1.9
166.02699	1.6
167.03459	1.3
171.04506	1.3
173.02406	0.4
173.05933	0.4
174.03175	0.7
175.04008	1.8
176.04880	0.4
177.01915	1.2
177.05539	0.9
178.02797	0.5
179.03467	1.1
181.01418	0.9
182.57010	0.4
187.03947	1.1
188.04669	0.4
189.05598	1.9
190.06268	1.2
191.03493	1.3
191.05482	0.9
192.04361	0.8
201.05482	0.5
203.03525	0.7
205.04996	1.2
207.02966	1.2
207.06622	0.6
215.03453	0.4
217.05032	1.2
220.03786	1.9
220.07376	1.0
235.06056	0.9
235.09753	1.7
251.07178	0.6
267.06497	0.7
282.08859	0.4
295.06351	0.5
299.12802	0.9
307.06104	0.5
325.10852	0.7
329.14136	0.5
339.08801	0.5
343.11850	0.6
357.09796	0.7
367.08163	0.5
368.08917	0.5
371.07312	0.5
371.11423	2.2
372.11810	0.5
373.12903	1.7
383.11542	1.1
385.09271	0.8
386.09973	2.4
387.10687	0.4
399.11176	0.6
399.16315	0.8
400.11346	1.1
401.12378	99.2
402.12732	11.8
521.68762	0.4
527.00696	0.4
563.17676	100.0
564.17993	15.8
578.22180	0.4
581.22345	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.98829	100.0
62.98534	0.2
69.50778	0.3
69.51183	0.7
69.68428	0.1
69.79227	0.1
71.01385	0.6
78.98588	0.5
79.95738	1.0
80.96518	5.7
81.96417	0.1
82.96117	0.2
83.99243	0.1
85.02982	0.3
87.00892	0.2
89.77995	0.1
94.98098	1.1
98.19932	0.3
101.02467	0.3
106.98078	0.3
116.92860	0.2
125.02419	0.3
125.90630	0.1
134.97531	0.3
148.99161	0.5
152.98608	0.4
164.98653	1.0
203.98442	0.1
206.99640	0.3
209.11859	0.6
210.12196	0.4
213.51080	0.2
215.08806	0.2
225.00713	1.6
226.01096	0.4
227.12918	0.3
277.21741	0.9
278.22034	0.6
279.22589	0.2
410.01846	0.2
484.28870	0.2
557.43799	0.2
722.92981	0.2
724.43854	0.2
740.39618	0.3
783.42249	0.4
784.42316	7.3
785.42090	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	784.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.98829	100.0
62.98534	0.2
69.50778	0.3
69.51183	0.7
69.68428	0.1
69.79227	0.1
71.01385	0.6
78.98588	0.5
79.95738	1.0
80.96518	5.7
81.96417	0.1
82.96117	0.2
83.99243	0.1
85.02982	0.3
87.00892	0.2
89.77995	0.1
94.98098	1.1
98.19932	0.3
101.02467	0.3
106.98078	0.3
116.92860	0.2
125.02419	0.3
125.90630	0.1
134.97531	0.3
148.99161	0.5
152.98608	0.4
164.98653	1.0
203.98442	0.1
206.99640	0.3
209.11859	0.6
210.12196	0.4
213.51080	0.2
215.08806	0.2
225.00713	1.6
226.01096	0.4
227.12918	0.3
277.21741	0.9
278.22034	0.6
279.22589	0.2
410.01846	0.2
484.28870	0.2
557.43799	0.2
722.92981	0.2
724.43854	0.2
740.39618	0.3
783.42249	0.4
784.42316	7.3
785.42090	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	783.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.2
61.77786	0.1
61.98843	0.2
65.03963	0.7
67.01891	1.4
68.99818	1.1
69.03472	0.3
70.39635	0.5
71.01369	0.8
79.05511	0.2
81.03450	0.3
83.01392	1.2
84.02159	0.8
93.03465	1.7
93.67412	0.1
95.01386	5.9
97.02952	0.7
98.00114	0.1
105.03450	0.2
107.01401	0.5
107.05036	0.8
108.02190	1.8
109.02955	15.1
110.00121	0.1
110.03330	0.3
111.00890	1.5
115.05564	0.4
117.03491	0.6
117.07091	0.2
119.05037	0.5
121.02959	5.9
121.06597	0.1
122.03759	2.7
123.00889	8.9
123.04539	2.5
124.01684	3.7
125.02467	3.3
130.04262	0.2
131.05051	1.2
133.02968	1.1
133.06613	1.2
134.03760	0.8
135.04521	2.7
136.01665	14.5
136.05269	0.4
137.02448	29.2
138.03287	3.9
139.00392	0.5
143.05061	0.6
145.02940	0.9
146.03760	1.0
147.04530	2.1
148.05244	0.1
149.02435	2.0
149.06117	0.9
149.99559	0.4
150.03233	0.7
151.00372	0.6
151.04008	12.3
152.01128	0.7
152.02298	0.1
152.04440	0.5
153.01929	1.2
154.02676	0.8
158.03682	0.7
159.04520	3.5
160.01701	0.2
160.05286	0.7
161.02434	3.0
161.06085	2.5
162.03232	6.8
162.06882	0.2
163.04010	15.7
164.04723	1.2
165.01970	0.2
165.05588	0.2
166.02711	0.2
167.07062	0.1
168.04248	0.2
171.04524	0.3
173.06046	0.3
174.03238	0.7
175.03996	5.1
175.07500	0.2
176.01138	0.2
176.04822	0.9
177.01964	1.5
177.05563	7.2
178.02666	0.3
178.05882	0.3
179.03497	4.5
179.07082	0.3
180.04182	0.1
181.05113	0.3
184.35907	0.1
186.03198	0.5
187.02306	0.3
187.03999	5.7
188.04622	0.6
189.01939	0.2
189.05600	1.9
190.02747	0.4
190.06320	1.3
191.03418	0.3
191.07033	0.2
192.04266	0.5
193.05037	2.0
193.06630	0.2
194.02061	0.2
199.04010	0.2
199.07651	0.5
201.05530	0.4
202.02754	0.4
202.06377	0.1
203.03510	1.4
203.07109	0.3
204.04161	0.2
205.05049	2.0
205.08664	0.2
206.05586	0.2
207.06577	0.3
209.11752	0.2
211.04053	0.2
211.07710	0.7
213.05608	0.3
217.05057	0.5
218.05806	1.7
219.06560	0.2
223.07652	0.2
225.09187	0.3
226.09999	0.4
229.08699	0.2
233.08183	1.3
237.05530	0.2
238.06303	0.2
239.07188	1.1
241.05032	0.8
251.07072	0.3
253.08702	3.0
254.09421	1.1
255.10320	0.2
256.07498	0.5
265.04956	0.2
267.06589	0.7
269.08228	0.4
269.11841	0.6
279.06671	0.4
280.07462	0.4
281.04440	0.2
281.08130	0.3
282.08987	0.2
283.09714	0.3
295.09711	0.2
297.07803	0.4
297.11383	0.2
299.12854	0.4
311.05826	0.2
311.09171	0.2
312.10004	0.4
313.07260	0.4
313.10855	0.4
324.10034	0.4
327.08875	1.4
327.12460	0.4
341.06635	1.0
341.10422	0.5
342.11066	20.4
343.11829	25.0
344.12173	2.5
353.10355	0.4
355.08115	1.1
356.08856	1.2
359.11084	0.2
371.11325	100.0
372.11682	9.8
373.12857	2.4
384.06299	0.2
387.10849	0.3
411.18127	27.0
412.18439	3.9
412.23746	0.2
627.86487	0.2
686.23962	0.2
696.22223	0.7
697.22668	0.4
714.23425	1.0
715.22980	0.3
755.30646	0.3
765.29034	1.7
766.29370	0.5
783.29871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24671	0.2
61.98830	0.3
65.03961	0.6
67.01888	0.9
68.99808	0.9
69.03453	0.4
70.39645	0.6
71.01394	0.4
71.59287	0.2
76.13464	0.2
81.03446	0.3
82.67374	0.2
83.01379	1.7
84.02174	0.5
89.71047	0.2
93.03468	1.4
95.01389	3.8
97.02946	0.5
101.34319	0.2
103.05502	0.3
105.03479	0.2
107.01400	0.6
107.05040	0.7
108.02164	1.3
109.02953	14.0
110.03294	0.5
111.00892	0.7
115.05544	0.4
117.03476	0.6
119.05048	0.5
121.02957	3.8
121.03768	0.3
122.03757	1.8
123.00880	5.3
123.04556	1.7
124.01003	0.2
124.01705	2.2
125.02452	3.8
130.04257	0.2
131.05057	1.0
133.02966	0.6
133.06584	0.8
134.03745	0.5
134.71945	0.2
135.04527	1.5
136.01662	11.5
136.05255	0.2
137.02448	25.3
138.03304	1.8
139.00374	0.3
141.01970	0.3
143.05002	0.5
145.02937	0.7
146.03729	0.7
147.04530	1.3
149.02435	1.9
149.06058	0.6
149.99629	0.5
150.03217	0.6
151.00400	0.7
151.04005	9.4
152.01149	0.2
152.04381	0.4
153.01953	1.1
154.02666	0.4
158.03763	0.7
159.04520	3.0
160.05347	0.3
161.02435	2.2
161.06073	1.9
162.03229	4.5
163.04016	9.8
164.01245	0.2
164.04694	0.7
165.01888	0.2
165.05544	0.2
166.02734	0.2
171.04579	0.2
173.02403	0.2
173.06041	0.4
174.03250	0.6
175.03989	4.8
176.04732	0.6
177.02034	1.3
177.05562	4.7
178.02725	0.3
178.06136	0.3
179.02077	0.3
179.03505	3.4
180.04201	0.4
186.03226	0.4
187.04008	5.3
188.04573	0.5
189.05612	1.6
190.02679	0.6
190.06343	1.0
191.03569	0.2
192.04315	0.5
193.05045	1.4
199.04053	0.2
199.07616	0.2
201.05623	0.5
202.02689	0.3
203.03464	1.4
204.04160	0.4
205.05029	2.0
205.08435	0.2
211.07742	0.2
217.05078	0.5
218.05779	2.0
219.02983	0.3
220.03798	0.2
220.07304	0.2
225.09245	0.3
226.09915	0.6
233.08195	1.4
238.06288	0.3
239.07132	0.6
241.05019	0.4
249.05626	0.2
251.07123	0.2
253.08771	1.2
254.09447	0.6
255.06651	0.2
255.09830	0.2
256.07562	0.3
265.05139	0.2
267.06635	0.4
269.07901	0.2
279.06689	0.3
280.07336	0.3
282.08990	0.3
297.07654	0.4
299.12805	0.2
311.09235	0.2
312.09991	0.3
313.07166	0.6
313.10901	0.5
327.08649	1.0
327.12311	0.4
341.06549	1.0
341.10321	0.4
342.06815	0.3
342.11066	11.5
343.11804	11.9
344.12183	0.9
353.10361	0.6
355.08038	0.9
356.08951	1.2
371.11331	100.0
372.11694	10.1
372.16589	0.2
373.12894	2.0
387.10870	0.4
411.18124	16.1
412.18408	1.5
472.59918	0.2
696.21667	0.5
714.22864	1.1
715.24347	0.2
765.29211	0.7
766.30035	0.3
783.30225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	0.2
63.67179	0.2
65.03957	0.8
67.01870	1.2
68.99812	1.3
69.03442	0.6
70.71480	0.2
70.71814	0.5
71.01380	0.8
73.91819	0.2
75.92655	0.2
79.05553	0.3
81.03478	0.6
83.01393	1.6
84.02171	1.1
88.95333	0.3
93.03468	2.2
95.01382	6.3
97.02946	0.8
105.03473	0.3
105.07121	0.3
107.05045	0.8
108.02171	2.1
109.02951	16.5
110.00135	0.4
110.03264	0.4
111.00893	1.6
115.05537	0.6
115.06744	0.3
116.92867	0.3
117.03466	0.9
117.07122	0.2
119.05038	0.5
121.02953	7.4
121.22733	0.2
122.03771	2.9
123.00886	7.6
123.01762	0.4
123.04539	3.3
124.01679	4.8
125.02451	3.8
131.05008	1.3
133.02940	1.1
133.06586	1.4
134.03731	0.9
135.04544	2.4
136.01659	18.6
136.05273	0.4
137.02446	32.3
138.03256	3.2
139.00374	0.6
143.05058	0.6
145.02983	1.0
146.03752	1.0
147.04514	1.7
149.02444	2.9
149.06114	1.0
149.99620	0.4
150.03204	1.0
151.00414	0.9
151.04005	16.6
152.01151	1.3
152.04327	0.6
153.01906	1.7
154.02725	1.2
158.03746	0.7
159.04512	2.9
160.05275	0.5
161.02457	3.2
161.06073	1.8
162.03221	7.1
163.04002	17.9
164.04539	1.0
165.01917	1.0
165.05612	0.3
167.03612	0.3
167.07025	0.2
173.02533	0.4
173.06155	0.5
174.03217	0.8
175.03987	7.1
176.04735	1.0
177.01955	1.3
177.05565	8.1
178.02721	0.3
178.06006	0.4
179.03484	7.0
180.04144	0.4
181.05029	0.3
185.06088	0.3
186.03232	0.5
187.03996	5.5
188.04735	0.4
189.05544	2.2
190.02728	0.9
190.06317	1.5
191.03568	0.4
191.07178	0.3
193.05037	2.4
196.05374	0.3
199.07635	0.6
201.05574	0.6
203.03474	1.9
203.07106	0.2
205.05052	2.1
207.06573	0.5
211.04025	0.3
211.07655	1.0
213.05603	0.3
217.05003	0.6
218.05811	1.3
219.06604	0.3
225.09207	0.5
226.09979	0.7
233.08121	1.9
238.06332	0.3
239.07037	1.6
240.07396	0.3
241.05190	0.5
241.08641	0.3
253.08727	3.5
254.06033	0.3
254.09384	1.1
256.07404	1.1
259.06378	0.3
267.06723	0.5
268.41177	0.3
269.08606	0.3
269.11816	0.7
279.06635	0.3
282.08923	0.3
295.09714	0.3
297.07687	0.4
299.12918	0.8
311.09131	0.4
312.09995	0.4
313.07227	0.3
313.10489	0.3
324.10095	0.4
327.08884	1.2
327.12296	0.4
341.06696	1.4
341.10184	0.5
342.07965	0.5
342.11038	24.1
343.11819	27.7
344.12195	2.3
353.10236	0.4
355.08173	0.8
356.09024	1.5
371.11337	100.0
372.11670	10.8
373.12854	3.0
374.13245	0.4
397.78003	0.3
411.18103	32.6
412.18427	4.0
598.17383	0.3
696.22418	0.5
714.22607	1.1
755.31079	0.3
765.29376	1.4
766.29474	0.6
783.29645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96270	0.2
55.01868	0.3
63.26058	0.2
65.03957	0.5
67.01881	0.7
67.21100	0.2
68.99812	0.6
69.03452	0.2
69.19588	1.7
71.01379	0.5
81.03460	0.3
81.49319	0.2
82.00597	0.2
83.01387	1.5
84.02153	0.3
93.03480	1.0
95.01394	2.5
95.56796	0.2
97.02940	0.3
98.20650	0.4
107.01382	0.3
107.05058	0.4
108.02158	1.0
109.02946	13.6
110.03283	0.3
111.00873	0.7
115.05573	0.3
117.03483	0.3
117.07076	0.2
119.05022	0.4
121.02958	3.2
122.03752	1.3
123.00873	4.2
123.04518	1.6
124.01681	1.5
125.02444	2.1
131.05000	0.9
133.02922	0.5
133.06635	1.1
134.03720	0.4
135.04544	1.1
136.00600	0.3
136.01656	8.3
137.02444	22.0
138.03297	1.4
143.05020	0.4
145.02933	0.8
146.03709	0.8
147.04475	1.1
149.02446	1.8
149.06119	0.5
149.99559	0.5
150.03227	0.4
151.00365	0.7
151.04005	5.8
152.01086	0.4
153.01923	0.7
154.02721	0.3
158.03705	0.6
159.04509	3.0
160.05151	0.3
161.02451	1.5
161.06088	1.6
162.03226	3.3
162.06772	0.2
163.04005	6.6
164.04709	0.6
173.02400	0.3
173.05971	0.2
174.03191	0.5
175.03986	3.0
176.04625	0.4
177.01910	1.1
177.05568	3.4
178.02695	0.2
179.03468	1.7
179.07092	0.2
183.37311	0.2
187.03993	4.4
188.04527	0.2
189.05545	0.9
190.02696	0.6
190.06296	0.6
191.03442	0.2
191.07103	0.2
192.04236	0.3
193.05009	1.1
199.03893	0.3
201.05566	0.3
202.02628	0.4
203.03497	1.6
204.04134	0.3
205.05074	1.7
205.98267	0.2
207.06601	0.2
211.07571	0.3
217.05002	0.5
218.05801	1.2
219.03046	0.2
219.06595	0.2
225.09344	0.2
226.09866	0.2
233.08170	1.0
239.07152	0.4
241.05043	0.2
253.08667	0.7
254.09384	0.5
256.07376	0.3
265.04980	0.3
267.06537	0.3
269.12057	0.2
279.06552	0.2
280.07391	0.2
282.08710	0.2
297.07663	0.3
297.11438	0.2
311.09277	0.2
313.07275	0.3
315.08798	0.2
324.10004	0.2
327.08618	0.9
327.12186	0.2
341.06598	1.0
341.10443	0.4
342.06790	0.3
342.11035	5.8
343.11758	2.6
355.08206	1.0
356.09018	1.2
371.11322	100.0
372.11676	9.8
373.12866	1.7
387.11084	0.2
411.18082	7.9
412.18570	0.9
564.34265	0.2
714.23163	0.7
725.62195	0.2
765.29694	0.2
783.30280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39459	0.5
54.40907	0.5
58.25606	0.5
59.01379	10.5
61.44467	0.4
61.98829	4.4
69.03432	0.6
71.01379	4.2
71.23525	0.7
73.02924	1.1
78.95868	0.5
78.98611	0.5
79.95727	1.5
80.96513	6.7
83.01365	0.6
83.05042	0.6
85.02946	0.9
87.00834	0.9
88.46202	0.5
89.02454	1.2
90.60614	0.5
94.98086	1.2
95.01355	0.5
97.02937	3.2
97.06562	0.6
99.00868	6.4
101.02434	1.9
106.98067	0.6
109.06594	0.9
110.03759	0.9
113.02436	1.6
115.28875	0.5
119.08321	0.5
121.08323	0.5
123.08136	0.7
125.02486	1.0
125.09708	2.0
135.59738	0.5
136.05261	0.7
142.02608	1.3
148.48567	0.5
153.70157	0.6
161.04572	0.8
163.11259	4.0
164.11485	0.7
164.98613	1.1
171.44812	0.6
181.12346	8.9
197.11926	0.7
207.10249	24.8
208.10579	1.1
225.00684	1.9
225.11304	52.0
226.11664	2.9
235.08224	2.7
243.12375	5.7
253.09302	3.2
277.21701	100.0
278.22025	9.2
320.54858	0.6
443.19171	4.5
461.20261	6.1
462.20798	0.5
513.31207	0.7
671.06805	0.5
721.41669	21.3
722.41943	5.7
759.22882	0.7
781.40594	7.6
782.40759	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.2
60.48280	1.1
61.98827	11.1
70.65128	3.3
71.01373	5.8
79.95703	1.9
80.96513	11.0
85.02940	1.5
89.02446	1.7
90.90077	1.3
94.98055	1.9
97.02947	5.5
99.00887	9.8
101.02427	2.7
109.06579	2.8
113.02417	1.4
125.09711	2.3
135.08221	1.4
136.05261	1.3
142.02692	2.2
163.11266	6.3
166.73460	1.1
167.33249	1.3
181.12349	17.1
182.25153	1.6
197.11887	1.4
199.13379	2.5
207.08365	2.5
207.10265	44.1
208.10574	3.4
221.49425	1.1
225.00793	2.6
225.11310	100.0
226.11623	8.4
235.08202	2.1
243.12355	11.3
253.09201	3.0
277.21710	83.1
278.22052	7.9
299.14978	1.6
317.16013	1.4
443.19241	4.5
461.20255	46.4
462.20468	4.8
721.41602	32.0
722.41895	8.7
781.40540	11.0
782.40881	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	781.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01365	1.2
60.99297	1.4
67.01888	3.9
69.03449	1.4
71.01379	1.8
71.30541	0.3
71.42064	0.2
73.02940	0.2
75.00828	0.2
77.42446	0.2
81.03455	0.7
83.05028	0.7
85.02949	4.1
87.00876	5.7
93.03455	27.3
94.03799	1.0
96.96018	1.7
97.02908	0.3
97.05241	0.2
99.00870	0.6
99.04539	0.5
109.02961	0.6
111.04521	4.0
112.04830	0.2
113.02438	0.6
117.03445	0.8
125.02453	0.3
127.03996	1.1
129.01926	0.7
132.32027	0.2
134.02722	0.5
134.03738	8.6
135.04080	0.4
137.02466	0.5
143.50510	0.2
149.06104	0.8
155.03494	0.7
160.01660	0.3
163.04169	0.3
171.02985	0.4
173.04544	10.0
173.06053	0.5
174.04890	0.3
175.03996	0.6
178.02699	0.4
191.05611	100.0
192.05949	3.8
193.05057	5.2
194.05382	0.4
367.10309	41.1
368.10608	3.9
557.87604	0.2
730.17847	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.8
61.98818	4.5
63.96231	1.2
67.57455	0.7
71.01380	8.0
71.28741	1.1
73.02933	1.9
74.61673	0.7
78.95908	2.3
78.98586	7.1
79.95727	15.5
80.96516	86.4
81.03452	1.5
85.02939	3.2
87.00861	1.9
94.98087	16.9
96.96012	1.2
97.02946	1.6
99.00874	1.1
101.02431	1.9
106.98074	4.3
118.28621	0.6
122.97579	4.2
124.81089	0.6
125.02457	3.5
127.03988	1.1
134.97566	5.6
136.99072	1.1
140.88031	0.7
148.99109	7.7
152.98610	7.9
164.97336	1.0
164.98621	14.5
206.99669	3.5
207.10202	0.9
209.11763	1.2
225.00716	25.5
225.11299	0.9
226.01070	0.8
241.01027	1.0
255.23273	3.2
313.73166	0.6
369.35245	0.7
467.35403	0.7
507.15558	1.3
525.16772	1.5
537.27258	2.2
666.00238	0.7
737.38062	2.0
763.39301	12.7
764.39844	4.5
781.40442	100.0
782.40790	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	781.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	100.0
68.69985	37.1
71.54128	36.1
101.56916	37.2
117.19215	31.0
151.04065	40.0
343.11807	35.9
371.11465	76.1
624.02850	51.0
770.26294	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01349	9.8
61.30322	9.4
61.98832	100.0
65.32830	8.7
71.54576	8.9
71.54961	14.6
125.02425	11.9
136.01709	18.4
137.02463	19.4
151.03975	19.7
151.92511	9.3
163.04002	14.6
183.23172	10.1
184.89339	11.2
191.05663	16.2
249.01443	10.5
266.56314	10.1
290.20258	11.5
342.10861	20.3
343.11731	16.2
371.11240	28.0
411.18127	36.1
486.20599	12.3
730.80939	11.5
781.35162	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	781.227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12796	11.4
61.98838	63.7
67.85441	14.3
69.46606	100.0
86.22137	12.3
93.52647	11.9
98.20051	39.0
104.48188	11.3
108.05421	12.9
110.14784	11.4
116.92859	26.3
137.02423	16.2
143.03276	13.0
148.64447	15.0
173.31581	12.4
191.05678	13.0
211.55180	12.0
213.27779	12.0
239.60901	12.6
288.20035	13.2
301.55035	13.0
343.11569	17.8
371.11349	26.0
450.78339	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	781.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	100.0
71.11506	23.5
78.93683	10.3
96.96035	14.1
116.92812	11.6
125.02463	13.8
136.01685	25.7
137.02425	42.0
141.30283	9.9
151.03920	26.2
181.02295	10.9
191.05632	12.5
322.01257	10.7
343.11661	19.7
371.11288	91.2
650.20331	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	781.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.9
59.01377	2.6
59.11610	0.2
60.99305	18.3
61.98827	0.4
70.59539	0.3
81.03452	0.3
83.01344	0.2
84.02178	0.6
85.02937	0.3
88.98803	100.0
89.99142	1.1
99.04511	7.6
101.02463	1.6
108.02203	1.2
109.02943	0.4
121.02957	1.1
125.02439	5.2
136.01701	0.5
137.02458	0.6
147.04517	0.2
150.03233	0.2
161.67265	0.3
163.03923	0.5
165.01945	0.4
175.04007	0.4
189.05539	0.4
190.06407	0.5
191.03473	0.3
191.07130	0.4
219.06592	0.7
235.09665	0.3
302.67194	0.3
355.11978	0.6
356.12555	0.8
371.10754	0.3
385.12906	18.7
386.13171	1.8
395.43680	0.3
433.50705	0.2
517.04004	0.3
589.19360	0.4
647.23944	0.3
691.22339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	23.4
61.98826	1.9
63.40454	0.6
67.01888	1.2
69.36885	1.1
69.37291	4.0
71.01006	1.0
71.01379	14.5
72.99298	0.9
73.02945	22.3
77.25978	0.7
81.03457	0.6
83.01387	5.4
83.47732	0.6
84.02178	1.4
85.02941	2.8
87.84019	0.6
88.28315	0.6
89.02447	2.7
91.50085	0.6
93.03451	2.4
93.37434	0.6
96.95981	0.6
97.02927	0.7
99.00827	0.8
101.02442	13.5
108.02158	5.0
109.02927	2.6
113.02457	3.4
119.04969	0.6
121.02919	3.4
122.03696	1.4
124.01671	0.8
125.02428	1.0
131.03493	0.6
132.24664	0.6
135.04433	0.9
136.01651	9.1
137.02446	4.4
146.03719	1.7
147.04573	0.8
148.05173	0.7
149.02419	1.7
149.04565	0.8
150.03175	1.5
151.03023	0.8
151.04033	6.5
152.04338	0.8
158.03755	1.0
159.04489	2.2
160.05228	1.4
161.02487	0.8
161.04544	1.2
161.06082	1.5
162.03233	1.6
163.04028	4.9
163.07634	0.8
164.04860	1.0
165.01945	1.6
165.05493	1.5
171.04494	1.8
173.04564	0.8
173.06036	3.1
175.04016	3.2
176.04794	4.9
177.05522	1.4
185.16841	0.6
187.03992	8.1
187.09680	0.8
188.04782	21.3
189.05316	2.1
190.06268	1.2
191.03590	3.6
191.05554	2.7
191.07043	1.1
193.05019	1.1
195.06584	0.9
201.05540	1.3
202.06328	1.8
203.07141	23.8
204.04320	0.8
204.07397	2.2
211.18599	0.7
219.06525	3.1
230.48993	0.6
241.14439	2.5
279.06473	0.9
283.15521	0.6
297.68216	0.8
308.06912	1.5
309.07449	0.9
312.09946	0.8
313.10715	1.2
315.31696	0.8
323.09201	1.6
323.94556	0.6
338.08002	1.9
341.10245	2.9
342.10999	2.0
343.11719	1.4
353.10242	3.0
356.08984	0.8
371.11316	81.9
372.11697	9.0
515.15601	5.7
516.16382	0.8
533.16632	11.0
534.16992	2.3
564.16888	0.7
575.17682	100.0
576.17999	18.6
717.40045	0.7
782.23108	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	779.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	19.0
71.44303	17.6
75.00889	55.5
78.95902	18.3
91.43197	11.4
103.00353	60.8
109.02982	13.7
125.02414	12.2
136.01578	13.3
136.45166	13.8
137.02440	19.8
175.04002	14.0
176.04742	24.7
270.57196	13.1
336.91812	12.4
341.10358	54.8
371.11462	100.0
487.34442	14.8
635.22809	14.6
713.22308	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	779.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93817	0.5
57.03443	0.8
59.01377	19.8
61.98826	13.4
71.01366	1.4
71.49870	0.6
73.02945	1.1
74.02473	1.1
75.00871	61.6
76.01206	1.0
89.02457	1.2
95.31944	0.6
101.02441	2.6
103.00372	100.0
103.03990	6.4
104.00710	1.5
104.03538	5.6
108.00876	0.6
144.84689	0.7
167.85329	0.6
196.96867	0.6
229.41817	1.1
277.21716	4.3
278.22043	0.8
371.11435	2.8
372.10818	0.7
397.13470	7.3
398.13861	0.9
415.14450	2.4
542.88934	0.7
699.11560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	23.4
61.98826	1.9
63.40454	0.6
67.01888	1.2
69.36885	1.1
69.37291	4.0
71.01006	1.0
71.01379	14.5
72.99298	0.9
73.02945	22.3
77.25978	0.7
81.03457	0.6
83.01387	5.4
83.47732	0.6
84.02178	1.4
85.02941	2.8
87.84019	0.6
88.28315	0.6
89.02447	2.7
91.50085	0.6
93.03451	2.4
93.37434	0.6
96.95981	0.6
97.02927	0.7
99.00827	0.8
101.02442	13.5
108.02158	5.0
109.02927	2.6
113.02457	3.4
119.04969	0.6
121.02919	3.4
122.03696	1.4
124.01671	0.8
125.02428	1.0
131.03493	0.6
132.24664	0.6
135.04433	0.9
136.01651	9.1
137.02446	4.4
146.03719	1.7
147.04573	0.8
148.05173	0.7
149.02419	1.7
149.04565	0.8
150.03175	1.5
151.03023	0.8
151.04033	6.5
152.04338	0.8
158.03755	1.0
159.04489	2.2
160.05228	1.4
161.02487	0.8
161.04544	1.2
161.06082	1.5
162.03233	1.6
163.04028	4.9
163.07634	0.8
164.04860	1.0
165.01945	1.6
165.05493	1.5
171.04494	1.8
173.04564	0.8
173.06036	3.1
175.04016	3.2
176.04794	4.9
177.05522	1.4
185.16841	0.6
187.03992	8.1
187.09680	0.8
188.04782	21.3
189.05316	2.1
190.06268	1.2
191.03590	3.6
191.05554	2.7
191.07043	1.1
193.05019	1.1
195.06584	0.9
201.05540	1.3
202.06328	1.8
203.07141	23.8
204.04320	0.8
204.07397	2.2
211.18599	0.7
219.06525	3.1
230.48993	0.6
241.14439	2.5
279.06473	0.9
283.15521	0.6
297.68216	0.8
308.06912	1.5
309.07449	0.9
312.09946	0.8
313.10715	1.2
315.31696	0.8
323.09201	1.6
323.94556	0.6
338.08002	1.9
341.10245	2.9
342.10999	2.0
343.11719	1.4
353.10242	3.0
356.08984	0.8
371.11316	81.9
372.11697	9.0
515.15601	5.7
516.16382	0.8
533.16632	11.0
534.16992	2.3
564.16888	0.7
575.17682	100.0
576.17999	18.6
717.40045	0.7
782.23108	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	779.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	19.2
64.34263	10.9
65.35603	10.4
66.90437	8.9
69.20344	100.0
75.38229	10.0
98.19915	15.7
98.98559	9.9
109.86154	10.1
121.02897	13.8
141.91275	9.0
146.46153	10.2
149.61914	11.1
152.34138	9.4
153.14207	10.3
159.04703	9.6
160.13269	11.9
168.67770	9.8
196.49216	10.3
341.10147	11.8
371.11188	33.0
444.14221	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	779.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01236	13.8
61.98824	18.4
69.39803	100.0
98.19893	20.7
110.63217	12.7
130.62233	13.3
189.29706	16.7
232.34613	14.5
291.67480	13.0
300.90732	13.1
341.10342	31.2
371.11279	82.5
372.11407	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	777.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.6
59.44632	2.5
61.98833	18.2
71.01402	3.0
116.92879	9.2
125.68555	2.5
127.20685	3.0
171.10327	4.5
178.18059	2.6
201.11305	38.5
209.11824	79.7
212.86705	2.8
227.12918	12.3
235.08279	13.4
253.09305	15.5
277.21704	100.0
278.22131	11.0
392.77487	2.9
437.20111	5.7
445.20786	7.2
456.48090	2.7
513.30823	14.9
514.30951	3.6
677.86572	3.3
697.41351	6.3
721.41559	4.1
777.41394	31.2
778.42731	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	779.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43893	3.0
61.98830	40.6
69.03450	3.1
75.00897	3.9
93.03464	3.3
97.24005	3.6
98.19855	6.3
103.00365	3.9
108.14976	2.9
108.79697	2.5
109.02972	7.5
116.92920	3.7
121.02925	4.0
125.02390	3.7
137.02441	16.8
176.04765	6.8
187.03897	4.3
189.05661	4.1
341.10364	20.5
355.08237	4.3
371.11340	100.0
372.11542	11.4
713.22290	8.3
774.87097	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	779.211
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04266	3.5
60.94545	3.6
61.98817	18.8
69.50711	27.6
75.00853	6.3
83.01325	4.2
86.33058	3.7
89.39156	5.0
102.07070	4.4
103.00388	5.0
109.02993	8.9
114.06543	3.7
123.04484	5.4
125.02432	5.2
137.02435	19.8
150.56682	3.8
167.20381	3.7
175.03941	5.2
176.04730	9.1
281.04663	4.9
282.05313	26.9
314.04312	4.8
341.10437	23.3
371.11319	100.0
372.11603	13.7
612.20673	4.4
659.32080	22.9
676.47559	4.7
689.33466	4.9
713.22223	16.7
779.36755	35.9
780.36041	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	777.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01379	16.9
61.98840	0.3
62.16297	0.3
65.73009	0.3
68.48233	0.3
69.41931	2.5
83.05026	1.1
85.02953	0.6
87.00876	1.0
93.03479	0.4
93.90677	0.3
94.45600	0.3
97.06583	0.5
98.20650	0.6
134.03688	0.4
137.02417	0.5
139.11290	0.8
163.11264	1.0
165.12785	0.5
179.14439	1.5
191.05568	0.5
193.04921	0.4
195.13913	1.0
197.15477	15.3
198.15819	1.1
225.14958	18.4
226.15350	1.0
227.03539	1.8
229.04959	0.5
233.85075	0.3
237.14993	0.5
243.15999	100.0
244.12405	0.3
244.16350	7.2
255.02953	2.6
281.13858	0.3
284.03271	3.2
285.04059	1.1
285.17068	58.1
286.17438	4.5
295.28580	0.4
300.02625	1.0
343.13800	0.6
346.77991	0.4
388.14828	0.3
423.22305	0.4
433.07413	0.7
447.09387	5.1
448.09583	0.6
486.65552	0.4
502.03693	0.3
539.39838	0.4
580.31262	0.4
685.48444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22114	2.2
57.03441	2.5
59.01368	8.4
61.98828	16.5
67.01867	4.0
68.64011	2.4
68.99815	2.8
71.01385	6.9
71.55106	3.6
75.00887	2.3
79.19482	2.2
85.02922	3.7
93.03443	5.7
95.01400	21.2
96.96001	6.1
97.02947	3.4
98.52038	2.6
100.37474	2.2
101.02419	3.2
101.20133	2.7
107.05009	2.5
108.02164	10.4
109.02949	28.6
111.00896	7.1
116.92925	2.4
121.02947	13.9
122.03757	6.8
123.00880	88.7
123.04534	7.8
124.01741	3.9
124.98853	2.8
125.02434	9.8
133.02940	3.7
135.00911	3.3
135.04530	11.0
136.01654	51.0
136.23901	2.6
137.02467	11.6
138.03276	4.1
143.05020	4.0
146.03703	7.2
147.04530	7.0
149.02455	7.5
149.04645	3.2
150.02083	2.1
150.03157	13.1
151.03998	52.4
152.04329	3.4
159.04524	5.2
161.02376	4.2
161.06030	4.5
162.03148	5.3
163.04002	5.6
165.05542	3.4
171.04549	2.8
171.10254	3.2
172.05293	4.0
173.04524	3.6
174.03220	2.8
175.04004	14.8
176.04771	7.9
177.01982	10.1
177.05540	7.1
178.02693	6.7
187.04030	4.8
189.05663	12.0
190.06308	9.8
191.05592	10.0
191.07130	11.1
193.05061	3.8
205.05000	5.3
207.10153	3.9
209.11801	2.6
239.06909	2.3
244.07457	2.9
251.07051	4.6
261.05441	2.7
266.05984	3.7
267.06610	8.6
279.06564	9.0
281.08121	4.6
282.08823	6.4
293.08252	2.8
294.08887	7.5
297.07922	4.3
297.11203	12.9
309.86484	2.6
311.09167	10.3
311.45782	2.5
312.09991	18.7
313.10663	3.4
326.11530	25.6
327.08936	3.7
327.12305	100.0
328.12500	8.1
341.10657	3.7
342.11075	3.0
343.11597	4.0
345.13257	4.1
357.13373	11.9
371.11301	80.9
372.11896	21.5
373.12601	4.7
375.14410	4.8
385.13052	4.2
401.12421	17.0
480.14462	7.3
498.15063	15.9
511.80713	2.9
520.88654	2.4
528.31116	3.3
553.88879	2.6
729.25739	28.0
730.26129	7.7
747.26538	47.1
748.26428	12.9
777.34564	4.5
794.35406	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	777.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01379	16.9
61.98840	0.3
62.16297	0.3
65.73009	0.3
68.48233	0.3
69.41931	2.5
83.05026	1.1
85.02953	0.6
87.00876	1.0
93.03479	0.4
93.90677	0.3
94.45600	0.3
97.06583	0.5
98.20650	0.6
134.03688	0.4
137.02417	0.5
139.11290	0.8
163.11264	1.0
165.12785	0.5
179.14439	1.5
191.05568	0.5
193.04921	0.4
195.13913	1.0
197.15477	15.3
198.15819	1.1
225.14958	18.4
226.15350	1.0
227.03539	1.8
229.04959	0.5
233.85075	0.3
237.14993	0.5
243.15999	100.0
244.12405	0.3
244.16350	7.2
255.02953	2.6
281.13858	0.3
284.03271	3.2
285.04059	1.1
285.17068	58.1
286.17438	4.5
295.28580	0.4
300.02625	1.0
343.13800	0.6
346.77991	0.4
388.14828	0.3
423.22305	0.4
433.07413	0.7
447.09387	5.1
448.09583	0.6
486.65552	0.4
502.03693	0.3
539.39838	0.4
580.31262	0.4
685.48444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98520	0.2
63.49781	0.1
70.59292	0.1
70.59634	0.2
81.64738	0.1
94.78614	0.1
97.54646	0.1
300.49655	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
71.53878	1.0
78.95947	0.7
94.64300	0.6
115.57757	0.6
122.01581	0.6
136.20561	0.5
141.58968	0.7
160.78189	0.6
450.26877	0.7
743.51526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
66.92528	0.3
69.03475	0.4
69.74995	0.7
69.75398	0.9
93.03471	0.6
95.01418	0.7
98.20628	0.5
109.02990	1.1
121.02982	1.0
123.00897	0.4
123.04535	1.0
135.04507	0.4
136.01657	0.5
137.02423	2.3
147.04515	0.4
151.04045	0.4
159.04648	0.3
175.04033	0.5
176.04784	2.0
187.04057	0.6
226.42682	0.3
244.84276	0.3
263.07324	0.3
293.08173	0.3
341.10294	7.1
342.10822	1.0
343.11789	3.2
343.15268	0.3
344.12314	0.3
356.09384	0.3
371.11362	16.2
372.11740	1.4
373.12973	0.7
685.23590	0.3
695.21576	0.4
703.48322	0.3
713.22955	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.9
61.98833	100.0
69.03473	0.9
71.54256	0.8
95.01400	1.5
109.02979	1.9
121.03011	2.1
123.00879	0.9
123.04556	1.5
124.01671	0.8
134.47264	0.7
135.04561	0.8
136.01720	1.3
137.02478	3.0
151.50475	0.7
159.04561	1.2
175.04053	1.0
176.04832	3.3
187.04007	1.1
341.10330	10.0
342.10782	2.1
343.11951	5.1
357.53952	0.8
371.11334	20.8
372.11914	3.1
373.12848	1.1
470.90048	0.7
713.22778	1.5
776.26514	5.3
777.27710	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80270	3.7
59.01369	7.8
61.98822	32.1
69.29881	18.7
69.30297	6.6
71.01366	6.4
73.02957	3.2
78.95929	3.3
90.15634	3.4
92.17664	3.0
103.47944	3.7
109.06578	6.6
147.60802	3.1
157.92073	3.4
163.11197	3.4
171.10350	17.1
181.08679	3.3
199.09790	27.8
201.11351	6.5
207.10217	32.7
211.82617	3.4
217.41368	3.4
225.11314	36.3
235.08182	5.8
253.09297	13.2
277.21692	100.0
278.22025	10.8
295.22580	3.6
435.18671	6.4
441.29956	4.0
443.19205	13.2
461.20221	15.2
513.31061	5.3
695.40033	54.5
696.40247	16.6
703.40796	4.4
721.41779	50.4
722.42236	12.8
739.43420	3.9
775.40479	13.6
776.40668	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	775.404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.4
61.98830	56.1
71.01373	4.9
78.95899	5.6
89.02473	3.6
98.19837	3.7
98.51034	2.5
101.02406	4.7
109.06590	4.1
120.35728	2.9
152.99527	4.5
161.04465	3.0
163.11258	4.7
166.09355	2.4
171.10262	17.8
189.09177	4.1
199.09795	15.9
201.11385	3.9
207.10229	24.4
225.11328	42.0
235.08286	10.7
253.09305	10.9
277.21729	100.0
278.22018	9.1
397.19281	3.3
417.17838	2.9
443.19144	6.9
461.20248	13.0
513.30396	5.8
695.39954	40.1
696.40479	10.2
721.41534	39.4
722.42010	9.6
775.40247	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	775.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	6.5
59.01380	100.0
61.98834	12.9
68.30308	1.6
71.01381	82.1
71.54417	2.7
72.01712	1.5
72.99318	8.5
73.02945	2.7
83.01389	4.1
83.82334	1.4
85.02942	18.4
87.00874	7.0
88.18689	1.5
88.98798	2.9
89.02444	99.1
93.03442	3.3
95.01382	7.4
96.96008	4.0
99.00826	2.0
101.02441	43.7
108.02145	2.8
109.02924	2.9
111.00885	1.7
113.02449	39.9
117.03440	2.0
119.03506	36.2
119.04933	1.7
121.02954	4.4
122.03799	2.4
123.00902	2.8
123.04530	5.1
125.02410	5.2
129.01955	2.5
131.03491	5.2
133.02965	2.5
134.03748	2.4
135.04556	1.5
136.01663	7.1
137.02402	5.6
143.03499	8.6
145.02953	6.3
146.03688	2.6
147.04469	2.0
149.02438	6.7
149.04541	4.8
150.03227	26.9
151.00398	8.2
151.04008	11.4
161.02428	6.2
161.04553	10.9
162.03235	36.3
163.03716	1.7
164.04831	2.0
165.01967	7.9
165.05569	22.5
166.02713	22.0
167.03391	5.8
175.03983	1.9
176.01157	2.3
177.01923	9.4
177.05557	27.3
179.03473	3.4
179.05626	29.2
179.07155	1.5
180.04340	7.1
181.05054	21.5
189.01906	3.3
190.02649	1.7
191.03487	2.0
191.05598	2.3
192.04218	4.2
193.04980	2.6
195.06615	27.1
205.05066	2.5
207.06606	6.2
209.04556	1.8
215.03482	2.1
219.06859	1.6
225.07710	4.8
287.24835	1.5
294.99982	1.7
300.02881	1.8
301.03513	1.9
357.12708	3.2
387.14294	4.4
417.15680	11.9
418.15533	2.4
529.90979	1.7
565.20557	5.8
566.20227	2.1
577.20996	13.5
578.20685	2.3
613.22803	6.2
614.22827	2.2
665.18982	4.1
775.26440	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	775.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.1
61.98834	7.8
67.01888	1.2
68.99831	1.7
69.95811	2.7
71.01380	1.3
77.03944	0.8
79.01904	0.9
79.05496	0.7
81.03455	1.5
83.01373	1.1
83.05013	0.9
89.03979	3.2
93.03460	2.2
95.01397	2.7
95.05016	0.7
97.02973	0.8
103.05550	0.7
105.03439	3.8
107.05026	2.1
108.02185	2.7
109.02940	6.7
111.00873	1.3
115.05534	0.7
116.92869	1.2
119.05039	0.9
121.02953	4.5
122.03697	1.1
123.00901	8.8
123.04524	2.6
124.01665	8.0
125.02430	1.7
129.65231	0.6
131.05048	1.8
133.02953	8.9
133.06589	2.3
135.00847	1.0
135.04503	3.2
136.01677	4.0
137.02448	14.1
138.03191	2.3
143.05014	0.7
145.02931	1.5
146.03716	0.8
147.04521	1.9
148.01698	1.5
149.02452	7.4
149.06096	1.5
150.03195	1.8
151.00331	0.9
151.04025	6.5
152.01164	3.0
153.01707	0.7
158.03732	1.0
159.04507	5.2
161.02429	2.3
161.06058	2.8
162.03162	1.9
163.04004	4.8
163.59081	0.6
165.01883	1.9
165.33977	0.6
166.02664	0.9
171.04488	0.8
171.10245	2.7
173.02477	0.9
174.03197	1.0
175.04005	3.8
176.04726	1.7
177.01927	13.9
177.05559	6.3
178.02621	3.1
179.03534	3.3
187.04004	3.6
188.04752	0.6
189.01926	1.7
189.05656	1.4
190.02722	1.3
190.06235	0.9
191.03432	1.9
197.11794	2.2
201.11343	2.6
202.02753	1.5
202.11673	0.7
203.03506	2.1
203.07176	2.0
205.05069	6.5
209.11815	5.6
210.12164	2.0
211.13490	0.9
217.01408	0.7
218.05901	0.9
227.12846	0.8
253.09178	1.6
254.09612	1.4
282.05078	0.6
299.12967	1.1
309.20703	2.9
310.20975	2.5
311.21637	0.8
327.08630	1.2
327.12082	1.2
341.06693	1.9
343.11871	6.2
344.11917	0.8
345.13956	0.6
355.08243	1.7
356.08801	2.1
371.11316	100.0
372.11823	18.1
372.16626	0.8
373.12872	11.6
374.13181	1.5
385.12979	2.4
387.10898	0.7
389.12567	1.0
411.10712	2.2
425.12527	1.0
427.14035	2.1
727.23993	1.9
745.25250	1.7
775.26044	59.5
776.26434	15.5
799.85840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
58.63711	0.6
59.01369	1.1
61.98832	7.2
67.01876	1.2
68.99815	1.2
69.03449	0.8
71.01378	1.8
72.99308	0.6
77.04005	0.7
78.95856	0.7
79.05519	0.7
81.03448	1.3
83.01384	1.1
83.05026	1.4
89.03969	2.3
89.75821	0.6
93.03456	2.6
95.01369	3.6
95.05038	1.2
96.17999	0.6
97.02959	1.2
99.00906	2.3
103.05507	0.7
105.03473	2.7
107.01393	0.7
107.05036	2.8
108.02162	4.7
109.02959	7.5
111.00874	3.6
115.05540	1.0
119.05013	2.7
121.02950	6.9
121.06573	0.9
122.03716	1.3
123.00879	17.6
123.04495	3.2
124.01674	19.0
125.02431	2.5
130.04248	0.9
131.05035	2.5
133.02931	6.8
133.06596	3.0
134.03616	0.6
135.04494	5.2
136.01648	4.6
137.02438	17.9
138.03275	4.4
139.00421	0.6
140.01190	0.7
145.02975	2.0
145.70192	0.6
147.04533	2.8
148.01654	1.2
149.02417	6.9
149.06105	1.5
150.03246	3.9
151.00365	1.2
151.03987	4.6
152.01158	6.4
153.01953	1.5
159.04498	5.2
160.05272	1.2
161.02376	3.7
161.06126	2.8
162.03209	2.9
163.00281	0.8
163.03986	6.5
164.04764	2.2
165.01878	1.3
166.02762	0.8
171.04468	0.7
171.10332	1.1
173.06117	0.7
174.03139	1.0
175.03990	5.2
176.01047	0.8
177.01926	10.1
177.05576	8.5
178.02696	4.3
179.03497	4.8
185.05972	1.1
186.03189	0.8
187.04041	3.8
188.04695	0.7
189.01988	1.5
189.05614	2.2
190.02757	1.6
190.06305	1.8
191.03493	2.7
193.05035	0.8
201.05528	0.8
202.02672	1.8
203.03464	2.8
203.07124	3.9
204.04213	1.2
205.05092	4.2
206.05852	1.5
207.06720	1.3
209.11760	0.9
213.05663	0.7
217.01439	1.6
217.05032	0.9
217.74786	0.6
227.07123	0.6
239.07191	0.6
243.06616	0.8
251.07018	0.7
253.08917	0.8
258.08786	0.7
267.06763	0.6
269.04086	0.7
269.08270	0.7
271.09650	0.7
282.09134	0.9
283.05872	0.9
297.07791	0.7
298.08075	0.7
299.12872	1.5
301.10620	1.0
305.13971	1.1
311.22302	1.0
326.08035	0.7
327.08789	0.8
327.12381	1.5
329.10254	1.3
341.06616	1.6
341.10352	2.8
343.07880	1.0
343.11859	8.8
344.12234	1.1
345.13226	0.8
355.08105	1.7
355.11975	1.2
356.09033	1.9
357.09753	2.2
359.11282	1.1
361.12805	3.1
371.11322	79.5
372.11887	18.4
372.16724	1.0
373.12872	25.8
374.13257	2.3
385.12756	0.9
387.10709	1.4
388.10934	0.9
389.12247	2.4
399.14587	1.8
411.10742	1.2
413.12451	0.9
427.13824	1.5
699.24518	1.4
717.25726	1.1
727.23584	2.3
745.25061	5.4
746.25397	1.2
762.03711	0.7
775.26025	100.0
776.26392	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39255	1.6
56.12707	1.3
57.03440	4.2
59.01389	1.7
61.98831	51.7
65.28520	1.5
67.01903	1.7
69.03435	2.9
71.01383	4.1
71.54321	1.8
71.54694	1.3
72.99301	2.1
81.03453	2.5
83.01394	3.4
83.05042	2.3
85.02945	1.9
93.03461	2.7
95.01382	5.2
95.05013	1.5
97.02925	2.1
99.00887	6.9
105.03445	1.9
107.05015	4.6
108.02178	5.9
109.02932	7.6
111.00896	6.6
115.05434	1.5
119.05000	3.2
121.02937	6.4
121.06611	2.0
122.03770	1.4
123.00879	16.5
123.04484	2.9
124.01673	18.4
125.02459	3.4
131.05014	2.2
133.02945	4.9
133.06569	2.6
134.03787	1.7
135.04482	4.2
136.01677	4.3
137.02470	13.6
139.07652	1.4
140.01144	2.7
145.02956	3.0
146.03763	1.3
147.04514	3.6
149.02423	5.0
149.06049	2.6
150.03230	3.6
151.03976	6.2
158.03673	1.7
159.04512	5.5
161.02451	4.1
161.06049	3.2
162.03152	2.8
163.03984	5.1
164.01199	1.4
165.01862	1.7
165.05457	1.5
171.10249	2.4
174.03198	1.9
175.03996	6.7
176.01353	1.5
176.04744	3.1
177.01906	4.6
177.05585	7.9
179.03577	1.8
185.06004	2.3
187.04015	3.8
188.04861	1.7
189.05548	3.2
190.06441	3.4
191.03549	1.7
191.07083	2.4
203.03546	2.8
203.07106	5.8
205.04958	3.3
215.03481	1.5
225.05574	1.6
226.63698	1.3
227.07130	1.7
228.07329	1.5
239.07040	1.8
257.11758	2.5
258.08728	1.4
287.12900	2.3
301.10901	1.7
305.13858	3.8
331.11823	4.3
341.10190	3.9
343.08252	1.5
343.11755	7.3
345.13409	2.0
355.08243	2.8
357.13568	4.9
359.11255	3.8
361.12997	12.0
369.13324	2.2
371.06952	2.5
371.11337	29.8
372.11716	3.8
373.12875	11.7
374.13705	1.3
387.10562	8.4
388.11090	1.9
389.12424	18.7
399.14359	2.8
413.12378	13.3
414.12595	1.6
656.52289	1.4
683.24921	2.0
693.21411	1.5
701.26337	11.3
702.26294	2.8
717.25208	1.8
727.23352	5.8
745.25031	14.5
746.25342	5.2
774.45422	1.7
775.26062	100.0
776.12488	1.9
776.26337	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	4.0
59.01374	2.6
61.98829	37.0
65.03971	1.4
66.03033	1.0
67.01876	2.1
68.99800	2.4
69.03455	2.2
69.87018	1.6
69.87425	4.7
71.01376	4.7
72.99303	3.7
77.03980	1.1
79.05511	1.5
81.03458	2.5
83.01405	2.5
83.05018	1.9
84.02157	1.2
85.02950	1.7
89.03959	1.6
93.03455	2.4
95.01379	4.4
95.05020	1.6
97.02940	1.5
98.20580	1.8
99.00877	6.2
105.03410	2.0
107.05006	3.5
108.02183	6.8
109.02959	11.3
110.00127	1.0
111.00879	8.7
115.05487	1.8
116.92856	2.3
117.03458	1.3
119.04996	3.5
121.02962	11.4
121.06615	2.0
123.00893	19.3
123.04526	4.1
124.01689	19.8
125.02462	6.4
131.05002	2.6
133.02951	5.4
133.06621	3.6
134.03665	1.9
135.04494	5.1
136.01694	6.1
137.02441	20.6
138.03152	2.0
139.00336	2.3
139.03966	1.2
139.07655	1.7
140.01105	2.0
145.02989	1.3
147.04521	4.3
149.02409	6.6
149.06024	2.6
150.03172	3.6
151.03996	7.2
152.01120	1.4
153.01923	2.6
159.04590	5.5
161.02420	4.3
161.06090	2.2
162.03163	4.0
163.04039	5.8
164.04791	2.1
165.01859	1.7
169.01813	1.2
171.04492	1.2
171.10286	1.8
173.06049	1.3
174.03207	2.5
175.03970	6.4
176.04796	2.5
177.01955	8.6
177.05547	6.9
178.02512	1.6
179.03490	3.1
187.03975	6.8
188.04665	1.7
189.01900	2.6
189.05545	4.0
190.06323	2.8
191.03490	1.9
191.07248	1.4
201.05615	2.3
201.11230	2.0
202.02570	1.6
203.03479	3.4
203.07140	3.4
205.05016	3.8
205.08806	1.4
207.06673	1.5
209.11798	3.3
215.03558	1.8
215.07068	1.7
217.01335	1.4
219.77634	1.2
233.08047	1.5
236.02985	1.3
253.09033	2.5
267.06595	1.4
269.07623	1.3
282.08859	1.2
301.10831	1.5
305.13956	4.4
311.22232	4.7
327.12442	2.2
331.11633	1.3
341.06421	1.5
343.11917	5.6
345.13544	1.7
355.08109	2.9
355.11954	2.0
356.08896	1.2
357.09595	2.0
357.13467	2.7
359.11258	3.2
361.12958	11.5
362.13147	1.3
371.07794	3.9
371.11386	63.7
372.11688	10.6
373.12912	18.5
374.13376	2.5
387.10736	7.5
389.12347	13.4
390.12909	2.0
399.14496	2.5
411.10880	2.7
413.12274	3.9
425.12488	3.2
427.14029	1.4
478.12924	2.0
683.25110	1.8
699.24255	2.3
701.26190	3.7
727.23889	16.4
728.24121	4.5
745.24817	8.7
746.25446	1.8
775.26074	100.0
776.26331	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	775.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
59.01379	8.7
65.00362	0.4
83.05019	4.5
84.56079	0.3
97.06582	3.4
98.20706	0.4
101.02438	0.3
107.01398	0.5
121.02960	0.5
123.08202	0.3
137.09685	1.5
139.11264	0.3
149.09814	0.5
151.00349	2.4
151.11339	0.3
162.03246	0.3
163.00447	0.4
163.11288	6.1
164.11642	0.5
165.12868	0.8
167.14450	0.7
171.68071	0.3
177.12860	0.7
178.99854	0.9
179.10805	0.7
179.14427	3.7
191.05600	1.0
193.10648	0.3
195.13899	17.0
196.12619	0.3
196.14182	1.4
201.05489	0.3
209.02943	0.3
211.04102	0.5
223.13391	15.9
224.13716	1.4
239.12950	0.7
241.14447	100.0
242.14764	7.9
243.02962	1.0
255.02957	3.4
255.05525	0.4
256.03406	0.3
271.02454	5.4
271.09634	0.5
272.02887	0.7
283.15497	55.9
284.12708	0.3
284.15814	5.4
285.04105	1.8
300.02728	12.8
301.03488	10.2
301.06482	0.3
302.03922	0.8
327.05054	0.8
372.29742	0.3
390.91534	0.4
420.73260	0.3
447.09308	23.1
448.09558	3.3
523.19629	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.5
59.77843	0.4
61.14500	0.5
71.01391	0.5
71.23331	0.8
78.33891	0.5
79.01905	0.6
86.71375	0.4
87.04514	0.7
89.60965	0.4
93.03458	1.0
97.03002	0.6
98.42769	0.4
107.01448	0.4
109.03000	2.0
118.91072	0.4
119.05017	13.4
119.05798	0.9
120.05404	0.6
121.02982	1.7
125.02475	1.6
133.02940	9.9
133.03865	0.6
135.04568	1.8
147.04509	1.2
149.02498	1.7
151.04001	0.7
157.34569	0.5
161.02496	1.3
163.00417	2.1
163.04005	13.9
165.01979	1.8
165.12920	0.5
175.03946	2.7
177.01953	0.6
191.03574	1.5
193.01468	1.4
197.15584	1.0
199.04010	1.6
201.02016	1.3
211.04100	0.5
213.05630	1.5
215.03516	0.6
217.05217	0.5
225.05614	1.1
227.03510	0.6
227.07419	0.5
239.10922	0.5
239.16525	8.3
239.18939	0.6
240.04137	1.1
240.17073	0.8
241.05116	0.9
241.14578	0.5
253.05092	1.4
255.03040	0.7
255.06734	0.7
257.04684	0.6
269.04477	0.6
283.09790	1.7
283.15430	2.9
284.03226	7.9
285.04004	7.7
286.04376	1.1
297.04022	16.9
298.04730	8.5
299.05569	18.1
300.05954	1.5
309.04059	0.7
311.05679	2.0
325.03372	0.6
327.05109	100.0
327.08743	13.8
328.05438	10.1
328.09045	1.5
339.05115	3.8
340.05762	0.5
341.06775	1.2
357.06128	27.7
358.06458	2.8
369.06186	2.6
393.06161	1.6
437.14883	0.5
447.09290	99.6
448.03775	1.0
448.09634	13.9
598.64551	0.5
608.10620	0.5
639.75427	0.6
657.89642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.5
61.98830	16.5
66.77467	1.3
68.99808	2.0
69.66581	4.0
69.67012	2.9
71.01392	3.6
81.03416	1.2
83.05013	2.6
83.39265	1.1
84.18378	1.2
85.02972	1.3
89.02430	2.3
94.66618	1.4
95.01381	16.2
96.96001	1.4
98.19983	2.1
101.02431	2.7
105.03418	1.2
107.05035	1.5
108.02176	3.6
109.02940	7.4
110.16111	1.1
111.00874	3.3
111.08180	2.7
116.92891	2.7
119.05009	2.0
121.02189	1.4
121.02968	9.0
122.03747	3.1
123.00886	64.9
123.04518	2.5
124.01707	2.0
125.02451	1.8
131.05017	1.6
133.02942	2.0
135.04550	4.2
136.01682	8.2
137.02455	14.9
147.04526	1.2
149.02399	3.7
151.04008	3.9
151.11110	1.3
159.04468	2.5
161.02414	3.4
161.04515	1.3
161.06088	1.4
163.03986	8.2
163.11258	1.5
164.04715	1.6
165.01930	4.5
165.12912	1.4
169.12289	3.2
171.10284	5.9
175.03983	3.3
176.04752	1.4
177.01912	4.9
177.05559	2.9
187.03937	1.2
189.05637	1.6
191.03445	3.8
197.11835	15.0
198.12111	1.7
201.09575	1.9
201.11339	22.8
203.03545	1.8
205.05080	2.3
207.10204	2.2
209.11832	42.9
210.12106	1.6
211.07710	1.1
211.13316	3.3
225.11234	3.4
227.12869	6.6
235.08165	2.3
253.09279	14.0
263.20160	2.2
291.19547	8.4
309.20731	26.4
310.20975	1.1
311.22302	1.2
313.10587	1.5
327.08551	2.5
328.09827	1.3
343.11783	6.8
356.08984	22.4
357.09320	3.9
370.10403	2.7
371.11337	100.0
372.11606	12.6
401.12143	1.9
460.89157	1.2
741.78564	1.3
743.23444	66.7
744.23492	14.7
773.44299	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76210	0.4
57.03450	20.9
57.38514	0.5
57.82177	0.4
59.01385	7.3
61.98814	1.3
71.01382	3.6
71.55736	0.5
72.02155	1.8
73.02952	0.6
81.07095	1.2
83.05026	16.4
84.05343	0.5
85.02959	3.2
87.04517	58.4
88.04850	1.2
89.02448	0.9
95.05032	2.4
97.06592	11.6
98.03732	0.9
98.06950	0.6
101.02448	0.8
107.05038	11.6
108.05389	0.5
109.02964	1.0
113.06082	6.5
121.06654	0.9
123.04520	0.8
123.08148	1.6
125.02500	0.6
129.01936	0.5
134.03723	0.6
135.08173	1.4
137.09729	13.0
138.10034	0.9
139.07637	1.7
149.08687	0.4
149.09680	2.9
151.11292	1.4
153.09216	7.7
161.09761	0.7
163.11270	0.8
165.12849	5.3
167.03549	0.9
167.20572	0.5
168.57927	0.5
177.12862	1.3
179.10735	1.0
191.05646	0.8
193.12299	0.9
195.13905	24.0
196.14214	1.6
201.12863	0.9
204.11441	0.5
209.15448	1.6
219.13898	5.1
227.03511	1.4
237.14957	100.0
238.15271	7.6
239.12866	5.2
255.02913	2.4
281.13937	31.7
282.14331	3.0
284.03317	2.8
285.03970	0.6
311.11322	0.5
331.17737	0.8
373.18784	1.3
399.43094	0.5
447.09375	5.1
609.14056	0.5
736.67480	0.5
737.77393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.0
58.58183	0.7
59.01376	4.3
61.98827	12.7
71.01396	3.3
71.01745	0.7
73.02950	2.1
75.00835	0.6
83.01355	1.0
85.02939	4.7
87.00883	1.2
93.03449	1.4
96.27094	0.8
96.96001	1.6
101.02442	2.0
108.02169	0.9
109.02943	0.8
111.00853	1.3
111.08157	1.0
113.02449	0.8
121.02964	0.8
123.04502	1.4
123.08107	0.9
125.02480	1.2
129.01944	1.0
135.04462	1.5
135.08179	1.0
136.01672	0.9
137.02464	1.1
141.09222	0.7
149.02408	1.1
149.06071	2.5
150.06851	38.0
151.03995	2.6
151.07266	2.5
155.10721	0.9
161.02400	0.9
161.06018	0.7
161.09712	1.5
162.06848	0.9
163.07640	8.3
164.08385	6.4
165.08765	1.0
167.03500	0.9
175.03975	1.2
177.09242	1.3
178.09943	1.5
179.03487	1.3
179.10776	19.1
187.55063	0.7
190.02666	0.7
191.02028	0.8
191.05611	2.6
193.05064	1.6
195.06430	0.7
223.04538	1.5
229.10957	1.0
257.04382	0.7
263.80362	0.7
296.04544	0.7
308.33557	0.7
313.20197	0.9
320.19943	1.5
321.20837	0.9
341.23291	0.9
343.21207	3.6
358.31512	0.8
393.26706	0.7
459.31387	1.1
462.29697	1.9
477.32336	5.5
478.32318	0.8
493.31995	0.9
504.30780	1.1
505.25177	0.8
505.31744	2.4
522.31989	1.9
523.32684	17.2
524.33197	2.7
685.38293	1.4
727.39081	100.0
728.39423	24.3
771.31384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.2
59.01382	0.6
61.98831	100.0
71.01003	0.1
71.01387	0.4
73.02947	0.2
85.02959	0.6
88.98809	0.1
89.02446	0.2
91.28944	0.1
96.96055	0.2
101.02462	0.2
113.02450	0.2
125.02462	0.2
136.01662	0.1
137.02451	0.1
146.51399	0.1
150.06873	0.4
151.00914	0.1
151.03947	0.2
151.07416	0.1
153.22652	0.1
161.02400	0.1
161.04617	0.2
163.07698	0.3
173.08195	0.2
176.15950	0.1
179.10789	0.1
191.05573	0.2
193.05070	0.1
209.04636	0.1
209.08183	0.4
210.08665	0.2
323.09891	0.2
324.09924	0.1
325.03510	0.1
384.03152	0.1
386.13065	0.1
410.23932	0.1
428.39758	0.1
524.96973	0.1
672.65063	0.1
727.39209	0.2
728.39990	0.4
729.41064	0.5
772.28113	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	773.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	8.8
59.01377	9.8
61.98830	0.5
62.95673	0.4
71.01379	1.6
71.54475	0.6
72.26241	0.5
83.05020	2.8
85.78109	0.5
87.04505	8.0
89.02445	0.6
97.06578	1.4
101.84821	0.5
107.01363	0.7
110.41615	0.4
113.06078	1.1
116.02785	0.5
119.08669	5.8
121.06605	1.7
131.21002	0.4
137.09715	30.9
138.10066	1.6
151.00333	1.9
153.09203	1.2
161.09689	1.6
162.64516	0.5
163.00374	0.7
164.09058	0.5
165.12820	0.8
165.31085	0.4
167.14456	0.5
167.36441	0.5
177.12830	7.1
178.99852	0.8
191.05571	1.6
193.12349	0.9
195.13907	4.0
221.11841	5.6
237.14948	12.5
237.17238	1.0
238.15176	1.3
239.12871	100.0
240.13205	7.8
243.02895	1.1
255.02902	3.0
271.02426	7.7
272.02960	0.8
281.13922	58.8
282.14230	6.3
300.02725	12.6
301.03458	10.8
302.03922	1.0
391.04419	0.5
447.09262	27.2
448.09680	3.2
449.08606	1.1
578.25244	0.5
609.91449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.6
57.03450	1.8
58.00587	4.1
59.01377	100.0
60.01700	1.2
60.22575	0.7
67.01879	1.3
70.17112	1.0
70.17462	2.6
71.01378	68.6
72.01733	1.3
72.99317	4.7
73.02943	5.1
83.01372	5.6
84.80612	0.7
85.02950	16.6
86.03301	0.9
87.00867	6.9
87.42710	0.7
89.02439	77.2
90.02814	1.2
93.03461	8.3
94.03848	0.8
95.01379	7.1
97.02922	0.9
99.00880	1.5
99.04526	1.0
101.02439	31.3
107.01413	1.0
107.03536	0.7
109.02985	1.5
111.00896	5.7
111.04482	0.9
113.02448	26.6
114.02804	1.1
119.03501	27.2
119.05026	3.1
125.02441	2.0
127.04031	1.4
131.03488	4.6
134.00729	1.1
134.03787	1.9
136.04031	0.8
137.02464	2.9
137.06091	2.2
139.00414	2.6
143.03505	9.9
145.05008	0.8
149.04544	4.6
151.00357	6.5
155.03448	1.3
159.79106	0.7
161.02431	1.1
161.04547	13.7
162.87532	0.7
163.00345	0.8
169.04774	0.7
173.04503	3.6
178.99908	2.4
179.05602	64.9
180.06000	2.3
187.88367	0.8
191.05597	23.0
192.05908	1.7
199.02527	2.5
200.02879	1.3
201.02817	0.8
206.08192	1.1
227.03598	0.8
243.03049	1.4
255.02957	3.9
271.02426	8.5
272.02869	1.1
281.10352	3.9
299.11441	1.4
300.02704	17.6
301.03479	12.5
302.03925	0.9
341.12314	4.1
367.10294	7.6
463.09235	2.4
609.14484	16.6
610.14764	4.3
771.20135	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	771.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.01381	3.8
61.98833	4.7
69.03456	0.8
69.31469	3.9
69.42696	0.4
71.01364	1.3
73.02939	0.8
85.02937	1.5
87.00855	1.5
96.95992	1.1
99.04487	0.9
100.01348	0.4
101.02406	0.8
113.02447	0.8
113.06069	0.7
123.08146	1.6
135.04459	0.5
136.01653	0.6
136.05267	0.8
137.02385	0.7
137.09720	0.8
139.70488	0.5
149.06062	2.2
150.06859	40.2
151.03981	1.0
151.07356	1.6
152.08301	0.5
155.10767	0.8
160.30838	0.5
161.09607	0.9
162.06812	0.9
163.07622	7.9
164.08437	6.8
175.07544	0.4
176.08342	1.2
178.09941	2.0
179.10759	19.2
180.11096	1.3
181.04970	0.6
191.05588	1.3
193.08635	0.4
229.10715	0.9
233.24556	0.4
267.30713	0.4
284.55844	0.5
289.07126	0.6
306.18359	1.1
308.85983	0.5
320.19733	0.7
321.20535	0.8
335.22260	0.7
343.21149	4.9
364.22559	1.1
387.14496	1.3
459.30817	0.8
462.29504	2.3
476.31421	0.7
477.32242	5.6
478.32486	0.8
483.63010	0.6
504.31076	1.3
505.31821	1.2
522.31616	2.4
523.32727	20.6
524.33044	3.4
567.22443	0.6
685.37500	1.4
727.39044	100.0
728.39423	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	771.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03442	0.8
59.01381	100.0
60.01720	1.2
69.03483	0.2
69.62196	1.6
69.68291	0.2
70.80062	0.2
71.01383	11.4
73.02946	4.1
74.02500	0.3
83.01385	1.7
85.02947	5.4
86.87448	0.3
87.00875	0.4
89.02443	3.0
93.03473	0.3
95.01414	0.8
97.02993	0.5
99.00873	2.5
101.02442	8.6
101.03104	0.5
108.02223	0.2
113.02454	4.7
119.03481	0.4
125.02461	1.1
129.01973	0.5
131.03525	0.6
135.00916	0.3
143.03513	0.4
149.02435	0.4
149.04541	2.2
151.00420	0.3
159.02960	1.2
161.02513	0.4
161.04536	4.8
166.02786	0.8
167.03468	1.7
174.81078	0.3
191.05698	0.8
193.05074	0.4
197.15552	0.3
209.04532	0.5
223.06117	0.3
239.16505	1.2
245.09418	0.4
269.10303	10.2
270.10709	0.9
283.15515	0.4
300.02829	0.4
301.03723	0.4
301.07349	0.3
311.07913	0.8
311.11340	9.1
312.11761	0.7
371.17136	0.4
415.16098	2.8
416.17001	0.3
771.19531	1.6
772.21124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
57.03446	17.6
59.01377	42.5
61.98829	22.3
69.18920	4.3
69.19357	2.8
70.50975	0.7
71.01377	6.8
73.02964	3.2
80.96504	1.3
83.01382	6.9
83.05038	3.6
85.02943	3.6
87.00886	4.2
93.03477	2.5
95.05038	1.5
97.06598	1.7
98.20600	1.7
99.00934	0.9
99.04559	0.9
99.92541	0.7
101.02464	4.4
105.07105	0.8
107.05031	4.8
109.02940	1.4
112.92715	0.6
113.02450	1.9
120.05771	3.7
121.02915	4.4
121.06588	1.2
123.04496	1.8
125.02448	6.7
125.06071	0.8
134.61015	0.7
135.04539	2.6
135.08147	1.3
137.02444	2.7
145.02974	2.0
147.04430	1.0
147.08066	1.0
150.03261	1.4
151.04033	1.4
152.04807	0.9
159.08173	1.3
161.02390	0.9
161.04539	1.5
161.09734	12.7
161.13345	4.3
163.04002	2.5
163.11282	5.0
164.01096	0.9
165.01915	1.8
172.08821	0.9
173.04495	1.5
175.04001	7.6
179.03526	0.9
179.07240	0.9
179.14409	0.9
187.03990	1.3
187.09610	0.8
187.11295	17.0
188.11673	0.9
189.09193	10.6
190.06303	3.6
191.05563	4.2
203.05602	0.9
203.07240	1.7
203.10771	2.7
205.12335	15.2
206.12607	1.0
207.10248	50.6
208.10625	2.8
209.06177	0.9
221.06094	1.0
222.05278	2.8
223.07536	0.8
223.13387	20.2
224.13776	1.1
225.09277	0.8
229.12334	1.8
231.10248	3.2
235.07690	1.8
237.05598	0.8
237.09148	1.0
239.07080	2.0
241.08876	1.0
245.08186	1.3
245.11823	0.8
247.13330	0.9
249.05545	1.0
249.11307	13.9
250.11359	1.0
251.07094	2.9
253.08737	2.7
261.05536	2.2
262.06326	1.2
263.07074	5.9
264.07507	1.1
267.06570	3.1
267.12402	11.1
268.07211	0.8
268.10913	1.2
269.08243	7.6
271.13501	1.2
273.11270	2.5
278.05786	1.0
279.06671	6.4
280.07367	1.1
281.08173	12.8
282.08771	3.0
283.09787	2.6
289.07233	1.5
291.06659	2.3
291.12329	2.7
292.07193	1.8
293.08020	3.5
294.08902	5.2
295.09637	1.7
296.07126	1.1
296.10550	3.0
297.07675	31.9
297.11145	2.8
298.08023	2.8
307.09680	2.0
308.10501	4.2
309.07770	48.1
309.11249	11.6
310.08017	5.8
310.11530	1.8
311.09171	1.7
312.10016	27.8
313.10526	3.3
315.12335	2.8
323.09290	10.0
323.12799	1.2
324.09991	32.7
325.10568	5.2
327.12344	100.0
328.12698	9.9
333.13663	3.8
339.12341	99.4
340.12653	10.2
351.14404	2.0
357.13165	1.4
383.11472	1.1
385.12592	0.9
393.15421	1.6
411.16580	15.0
412.16956	1.8
480.94196	1.0
652.34479	0.8
769.30688	34.3
770.31024	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	769.307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	8.6
59.01377	28.3
61.98828	100.0
69.03411	1.8
71.01379	8.9
72.01730	1.7
73.02964	8.4
75.00819	1.5
75.91549	1.7
80.96502	4.5
83.01389	7.3
83.05016	5.2
85.02947	4.3
87.00864	4.0
88.98786	1.7
93.03440	5.0
96.53403	1.5
96.95995	6.8
97.02983	2.0
101.02425	6.9
107.05003	3.1
108.02175	2.1
113.02470	4.9
116.92833	1.8
121.02960	3.3
123.04501	2.4
125.02437	11.4
133.06558	1.6
135.04553	2.8
136.01620	5.2
137.02478	7.6
145.10219	1.9
149.02429	1.9
150.03165	1.9
151.03998	9.8
161.02414	2.8
161.09709	7.5
161.13304	2.8
163.11192	2.6
164.01118	2.0
165.01892	2.7
165.05502	2.8
175.03949	8.5
179.03587	1.6
187.11282	12.3
189.09169	5.8
190.06358	3.2
191.05597	8.9
205.12291	7.6
207.10258	22.2
208.10556	2.2
209.11829	1.8
223.13373	9.1
225.00552	1.6
231.10202	5.4
249.11281	8.2
251.07068	1.8
253.08676	3.4
263.06982	3.1
267.06552	3.0
267.12384	5.5
269.08090	3.4
279.06696	3.5
281.08206	8.5
282.08710	1.7
283.09982	2.0
289.06995	2.2
293.08200	3.4
294.08835	2.7
295.09409	2.1
296.10477	3.7
297.07657	18.4
297.10861	1.8
308.10400	3.2
309.07748	31.8
309.11237	7.6
310.08069	4.8
311.05713	3.7
311.09232	2.1
312.10110	18.7
313.10571	2.7
315.12311	3.3
323.09253	8.3
324.10010	21.6
325.10477	2.1
327.12357	77.2
328.12814	8.0
333.13382	4.9
339.12326	64.5
340.12723	8.3
357.13263	5.1
383.11185	2.3
385.12726	2.8
411.16626	12.6
429.17712	2.5
441.42029	1.9
725.11572	1.6
769.30957	27.6
770.31110	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	769.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03444	1.3
58.00594	0.6
58.42569	0.5
59.01380	21.7
67.01875	0.7
67.33768	0.4
68.43405	0.4
71.01379	17.2
71.53778	0.6
72.99301	1.7
73.02942	3.3
81.03443	0.7
81.33491	0.4
83.01390	2.5
83.05003	0.6
85.02950	9.4
87.00874	2.2
89.02444	9.9
93.03468	2.0
93.91662	0.5
95.01383	3.6
97.02950	1.0
99.00896	1.1
99.04527	0.7
101.02439	12.3
108.65835	0.4
109.02937	1.1
111.00873	3.0
111.04513	0.9
111.63506	0.4
113.02441	7.8
119.03510	3.5
119.04988	3.1
123.04543	0.6
125.02442	1.4
127.04003	1.0
131.03506	0.5
133.02893	0.5
134.03708	0.5
135.04543	0.7
139.00372	2.0
145.05048	0.5
149.04544	0.9
151.03979	0.6
155.03479	0.6
157.01273	0.6
163.04034	3.6
173.04550	1.6
174.05037	0.5
175.02382	0.7
177.01993	0.5
189.12964	0.8
191.05620	7.0
193.04980	0.6
195.13884	1.8
199.02446	2.6
219.13985	0.5
248.19786	0.5
337.09198	2.2
345.08353	1.3
367.10315	0.6
368.10962	0.5
387.09265	1.6
405.10394	1.0
443.19189	100.0
444.19586	12.8
709.19049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
68.67258	0.3
70.85783	0.5
71.01379	3.4
73.02952	2.6
76.16934	0.2
79.43062	0.3
85.02958	0.9
87.00864	1.7
89.02442	20.9
93.03425	0.3
103.04019	1.6
107.05090	0.3
123.04527	2.3
125.02482	0.4
131.03502	5.3
133.02979	1.1
134.03749	2.1
135.04521	25.0
136.04843	1.0
149.04549	100.0
150.04889	2.4
161.02443	3.9
163.03976	0.4
173.04547	1.0
176.04741	0.7
179.03493	21.2
180.03850	1.1
191.05568	0.5
194.05818	2.5
209.08182	3.1
289.07230	0.3
311.07715	28.1
312.08102	3.1
337.09082	0.5
382.53137	0.3
415.49750	0.3
430.70297	0.3
544.08240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01365	1.5
60.99305	1.1
61.98834	0.2
63.99232	0.2
65.61802	0.2
67.01891	4.0
69.03456	1.4
69.35788	1.1
69.36195	0.3
71.01375	1.5
73.02945	0.3
74.41306	0.2
81.03451	1.2
83.01375	0.2
83.05014	0.6
83.80525	0.2
85.02947	4.8
87.00875	6.2
93.03455	27.2
94.03789	0.7
95.01369	0.3
97.02986	0.2
99.00879	0.6
99.04498	0.5
99.05642	2.3
101.02415	0.5
109.02974	0.9
111.00874	0.5
111.04514	4.2
111.05227	0.3
113.02437	0.6
117.03465	0.8
125.02438	0.5
127.04015	1.5
129.01942	0.8
134.03734	8.4
135.04088	0.2
135.43053	0.2
137.02451	0.5
139.00426	0.5
141.06702	2.1
143.03477	0.3
143.04564	0.2
143.28180	0.2
149.06082	0.4
154.17978	0.2
155.03477	1.1
160.01694	0.4
171.02997	0.5
171.07729	0.3
173.04536	10.8
174.04843	0.4
175.03992	0.5
178.02765	0.3
189.53088	0.2
190.08946	0.2
191.05600	100.0
192.05942	3.9
193.05034	5.3
193.06792	0.3
194.05386	0.2
199.02472	0.6
206.08189	0.3
215.06732	0.8
227.16795	0.3
249.05518	3.0
306.07452	0.2
367.10300	42.9
368.10672	4.3
587.26398	0.2
625.38647	0.2
667.09637	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.1
57.03449	17.8
59.01390	2.8
65.26474	0.5
67.01878	1.2
68.99803	1.2
70.65298	1.8
71.01379	8.0
71.92836	0.6
72.99292	1.5
73.02942	2.7
75.00865	1.1
76.64913	0.6
83.01384	13.1
84.02175	1.9
85.02948	92.5
86.03292	2.2
87.00882	0.7
100.30165	0.6
101.02436	5.8
105.03415	0.6
105.81532	0.5
109.02943	1.7
111.00881	36.7
112.01213	1.1
115.07644	13.1
116.07967	0.6
119.05019	1.6
121.02917	0.7
125.02437	2.6
129.01942	58.2
130.02216	1.7
133.02948	6.2
135.04524	1.1
147.04556	0.8
149.02417	1.0
149.04565	1.0
161.02400	1.5
161.04536	4.0
163.00349	1.5
163.03983	2.5
175.03979	3.5
177.01881	0.7
179.03488	1.0
183.10199	1.2
187.02480	5.5
191.03427	1.1
191.05542	2.2
193.01381	1.6
199.04025	0.9
201.01945	0.6
205.03510	48.9
206.03925	2.1
213.05603	0.6
216.81274	0.6
223.04614	6.9
225.05443	0.6
243.02768	0.7
255.06613	0.9
269.04568	0.9
271.06369	0.8
281.04523	0.7
284.03259	5.1
285.04034	3.5
297.04025	9.1
298.04645	5.2
299.05542	10.9
300.05981	0.9
303.10892	2.5
311.05698	1.3
321.11884	100.0
322.12238	7.8
325.03574	0.9
327.05066	48.0
328.05432	5.7
328.66806	0.6
339.05209	1.1
357.06165	13.1
358.06467	1.2
369.06229	0.7
443.17514	0.7
447.09296	47.4
448.09583	6.9
476.67953	0.6
547.18433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.0
57.03446	7.1
59.01378	100.0
61.98815	2.3
67.01881	8.8
68.99819	1.9
69.03457	10.2
71.01380	24.8
72.99300	7.0
73.02935	7.9
81.03462	10.7
83.01385	15.4
83.05022	5.8
85.02948	70.8
87.00871	18.5
89.02433	8.9
93.03454	30.7
93.04015	2.0
95.01384	42.7
95.05030	2.8
96.96001	1.6
97.02949	9.4
99.00877	8.3
99.04491	8.7
99.05594	2.0
101.02439	7.7
103.04012	2.4
108.02171	2.5
109.02947	19.7
111.00879	59.8
111.04523	5.9
113.02444	26.3
119.03493	2.2
121.02962	3.6
123.00894	4.6
123.04534	6.1
124.01637	2.6
125.02466	18.8
126.02772	2.0
127.03054	2.8
127.04003	41.4
128.03494	2.5
129.01945	2.8
133.02985	3.4
134.03732	5.4
135.04530	2.9
137.02435	12.7
139.00360	57.3
139.04018	3.9
140.00798	1.9
141.05569	4.2
143.03531	1.7
145.05069	15.8
146.03754	1.7
147.04553	2.1
149.02504	2.4
151.03993	7.0
155.03496	18.3
157.01410	6.6
161.02454	2.9
161.04572	1.6
163.06174	2.6
167.03529	3.4
169.05080	6.6
171.02927	5.0
173.04527	7.7
177.05623	2.7
179.03461	1.7
179.05641	3.9
179.07097	2.2
181.01401	5.6
181.05164	2.6
191.03792	3.0
191.05591	64.1
192.05916	1.9
193.05077	3.6
199.02470	63.9
200.02744	3.3
205.05173	1.6
206.08241	2.4
208.40065	1.7
213.03946	2.3
241.07101	3.1
245.04398	2.0
253.03406	1.7
257.06735	2.1
259.08102	3.7
279.08875	3.6
285.06265	8.6
289.07266	4.3
297.09955	4.3
301.05478	2.6
303.07199	9.0
306.07684	4.9
345.08270	24.8
346.08542	3.6
363.09354	3.3
367.10303	24.9
383.13562	3.5
387.09335	30.6
388.09485	2.9
401.12363	2.0
405.10397	23.7
406.10831	1.7
407.07040	2.0
423.11475	2.4
465.12384	3.3
493.11871	5.0
525.09418	1.6
549.57245	1.7
551.16162	4.2
569.17188	4.7
579.15851	3.4
597.17010	3.9
691.17639	1.7
707.92572	1.8
714.51221	1.7
769.21277	2.3
770.20221	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	767.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81547	0.9
57.03452	1.6
59.01381	9.1
61.98830	100.0
65.18273	0.8
71.01374	8.0
71.55055	1.6
72.99306	1.4
73.02951	2.1
79.95728	1.5
80.96510	7.3
81.03492	1.1
85.02946	3.2
87.00876	1.5
88.98823	1.9
89.02448	5.3
93.03461	2.4
95.01417	0.8
96.94611	0.9
96.96015	1.1
97.02975	0.9
99.92586	1.4
100.72202	0.8
101.02471	5.6
106.58716	0.9
109.02982	1.2
111.08173	3.9
113.02453	2.4
116.92866	12.6
117.01932	1.8
119.03473	1.2
123.04472	1.4
125.02402	4.7
134.03717	1.7
135.04581	1.8
137.02405	1.6
150.03207	1.4
151.04012	2.6
161.02473	1.1
161.04488	1.1
164.98602	1.1
165.05479	1.2
169.12328	1.7
171.10309	1.6
173.04543	1.7
175.03928	1.3
191.05591	2.8
197.11801	17.0
199.13472	1.1
207.10248	1.2
209.11845	3.0
211.13446	1.6
225.00827	2.2
227.12880	1.0
275.09155	1.8
291.19650	3.4
307.32758	0.9
309.20688	33.2
310.21033	3.7
397.13528	9.2
399.10910	1.4
415.14517	14.2
416.14972	1.0
473.19907	1.1
519.19922	1.2
707.34979	1.8
767.30865	6.6
768.28894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.3
59.01384	6.2
60.99310	14.1
61.98829	0.9
69.03496	0.2
69.49574	0.5
69.49982	1.5
71.01396	1.7
73.02946	0.6
75.08530	0.2
83.01382	0.4
85.02941	1.3
87.00886	0.7
88.00405	1.8
88.98810	100.0
89.02443	3.8
89.99142	1.0
90.67979	0.2
93.03474	0.7
95.65969	0.2
101.02451	1.1
105.03452	0.7
108.02180	0.3
109.02958	0.3
111.00892	0.4
113.02456	0.9
116.92836	0.3
121.02929	0.6
123.04496	0.6
125.02409	0.5
129.01935	0.3
133.02966	6.7
134.03786	1.8
135.04562	1.5
135.52629	0.3
137.02422	1.3
139.04013	0.5
149.02452	0.5
149.76454	0.3
151.03984	0.3
161.02446	0.7
163.04097	0.2
173.04575	0.3
176.04854	0.3
177.01938	3.9
178.02707	2.6
179.03456	1.2
191.05519	0.5
193.05081	2.8
235.06062	0.3
331.17587	0.4
347.16125	0.2
349.18729	0.8
369.09784	7.8
370.10178	1.2
373.18863	0.5
441.13049	0.2
677.49805	1.2
678.50317	0.4
705.00946	0.3
723.21088	0.5
767.29510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81547	0.9
57.03452	1.6
59.01381	9.1
61.98830	100.0
65.18273	0.8
71.01374	8.0
71.55055	1.6
72.99306	1.4
73.02951	2.1
79.95728	1.5
80.96510	7.3
81.03492	1.1
85.02946	3.2
87.00876	1.5
88.98823	1.9
89.02448	5.3
93.03461	2.4
95.01417	0.8
96.94611	0.9
96.96015	1.1
97.02975	0.9
99.92586	1.4
100.72202	0.8
101.02471	5.6
106.58716	0.9
109.02982	1.2
111.08173	3.9
113.02453	2.4
116.92866	12.6
117.01932	1.8
119.03473	1.2
123.04472	1.4
125.02402	4.7
134.03717	1.7
135.04581	1.8
137.02405	1.6
150.03207	1.4
151.04012	2.6
161.02473	1.1
161.04488	1.1
164.98602	1.1
165.05479	1.2
169.12328	1.7
171.10309	1.6
173.04543	1.7
175.03928	1.3
191.05591	2.8
197.11801	17.0
199.13472	1.1
207.10248	1.2
209.11845	3.0
211.13446	1.6
225.00827	2.2
227.12880	1.0
275.09155	1.8
291.19650	3.4
307.32758	0.9
309.20688	33.2
310.21033	3.7
397.13528	9.2
399.10910	1.4
415.14517	14.2
416.14972	1.0
473.19907	1.1
519.19922	1.2
707.34979	1.8
767.30865	6.6
768.28894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	1.9
65.03975	0.8
67.01875	1.0
68.99815	1.8
70.00805	3.0
70.11194	0.7
78.95892	0.8
83.01401	0.8
91.01884	1.3
93.03438	2.7
95.01411	6.2
97.02922	1.0
102.74494	0.7
107.05032	1.5
108.02157	1.7
109.02953	15.7
111.00866	1.6
117.03373	0.8
120.64611	0.6
121.02967	6.4
122.03702	2.2
123.00879	7.6
123.04533	2.5
124.01653	3.1
125.02433	2.8
131.04994	1.5
133.02960	1.1
133.06595	1.9
134.03709	0.7
135.04538	2.3
136.01656	12.9
137.02451	28.7
138.03163	2.4
143.05038	1.4
145.02924	1.3
146.03720	1.3
147.04497	1.9
149.02452	2.1
149.06166	0.9
151.03998	11.1
152.99541	1.3
153.01895	1.0
158.03668	1.0
159.04512	4.7
160.05264	0.9
161.02417	2.2
161.06055	1.5
162.03238	5.5
163.04015	16.9
164.04701	1.0
171.04482	0.9
171.66031	0.7
171.93802	0.7
174.03181	1.1
175.04010	4.2
176.04674	0.8
177.01871	1.0
177.05545	6.4
177.64120	0.8
179.03580	4.0
185.64987	0.7
187.04042	5.4
189.05513	0.8
190.02681	0.9
193.05049	1.7
205.05072	1.7
217.05043	1.6
241.05240	0.9
253.08669	1.2
297.07269	0.7
311.16898	2.1
327.04794	1.3
327.08710	26.7
328.09116	2.4
342.11069	17.9
343.11618	2.0
349.80933	0.7
355.08224	100.0
356.08578	11.0
357.09799	3.9
411.18149	26.9
412.18396	3.7
698.20367	1.1
749.26447	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.7
61.98845	0.7
66.20623	0.3
67.01891	0.9
67.16814	0.3
68.99809	0.7
71.01374	0.6
71.53922	0.3
72.66420	0.3
79.05553	0.4
83.01371	1.9
84.02133	0.3
91.01854	0.3
93.03465	0.9
95.01389	4.8
97.02946	0.6
101.20770	0.3
107.01368	0.4
107.05022	0.6
108.02161	0.7
109.02947	10.8
109.03703	0.6
111.00850	0.5
115.05576	0.4
117.03497	0.5
119.05038	0.5
121.02957	2.2
122.03735	1.3
123.00887	4.1
123.04492	0.9
124.01689	1.5
125.02451	2.3
130.04214	0.3
131.05029	1.2
133.02913	0.8
133.06570	1.3
134.03735	0.4
135.04497	1.3
136.00822	0.2
136.01657	6.2
137.02446	19.2
138.03297	1.8
139.00372	0.4
143.04980	1.1
145.02934	1.1
146.03764	0.8
147.04495	1.2
149.02452	1.3
149.06071	0.7
149.99579	0.8
151.00322	0.4
151.03993	5.8
153.01918	0.6
155.66864	0.3
158.03726	1.0
159.04533	4.4
160.05258	1.0
161.02419	1.4
161.06067	2.0
162.03223	3.5
163.04008	7.9
164.04514	0.5
171.04500	0.9
175.04051	2.4
177.01894	0.6
177.05576	4.8
179.03491	1.9
187.03983	6.2
188.04622	0.5
189.05524	0.9
190.02745	0.7
190.06233	0.4
193.05003	1.0
193.06581	0.4
201.05508	0.3
203.03555	0.6
205.05003	2.3
217.05011	1.6
219.06390	0.4
253.08466	0.4
265.05011	0.3
297.07608	0.5
311.09152	0.5
325.07330	0.4
327.08749	6.6
328.09103	0.7
342.11023	8.6
343.11435	1.3
355.08203	100.0
356.08536	11.5
357.09674	2.4
411.18109	12.4
412.18451	1.1
680.19366	0.4
698.20038	1.1
749.25995	0.6
768.25903	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86329	0.2
59.01376	0.8
59.55720	0.2
61.98829	100.0
71.01386	0.5
71.54368	0.4
79.11999	0.2
86.13298	0.2
88.98782	0.3
89.02454	0.3
96.62657	0.2
96.96016	0.3
99.92570	0.2
101.02473	0.2
103.82547	0.2
116.92868	1.1
121.50405	0.2
124.29070	0.2
125.02493	0.4
141.87260	0.2
142.92613	0.2
161.02458	0.2
191.05582	0.5
207.10237	0.2
209.11859	2.3
210.12100	1.1
223.13455	0.2
227.12988	0.4
608.69879	0.2
753.00018	0.2
781.30957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82094	0.3
61.98824	1.0
67.01882	1.3
68.99809	1.3
69.03452	0.6
70.71940	1.0
71.01385	0.7
81.03450	0.4
83.01397	1.7
84.02162	0.6
85.87485	0.3
92.08617	0.3
92.76624	0.3
93.03450	1.2
95.01382	8.7
97.02982	0.5
100.57938	0.3
105.03362	0.4
107.01394	0.5
108.02172	1.5
109.02950	12.1
109.03703	0.6
111.00912	1.2
117.03416	0.5
119.05020	0.7
121.02946	4.5
122.03735	2.6
123.00871	6.9
123.04511	1.7
124.01662	2.8
124.02463	0.5
125.02399	1.9
125.97319	0.4
131.05017	1.3
133.02994	0.7
133.06592	1.6
134.03746	0.9
135.04482	1.5
136.01662	9.4
137.02441	19.8
138.03261	3.6
143.05002	1.2
145.02962	1.0
146.03741	0.9
147.04480	1.5
149.02402	2.0
149.06046	0.8
149.99586	1.0
151.00401	0.7
151.03999	9.6
152.01141	0.4
153.01927	0.8
154.02649	0.5
158.03732	0.9
159.04521	3.6
160.05199	0.5
161.02493	2.1
161.06038	2.5
162.03214	5.7
162.06613	0.3
163.03998	14.8
164.04706	0.5
165.01970	0.4
171.04448	0.5
174.03181	0.7
175.03975	3.7
177.01926	1.0
177.05565	7.2
178.05927	0.6
179.03482	4.4
187.03989	5.7
188.04671	0.7
189.05515	1.3
190.02640	1.0
190.06215	0.4
191.54562	0.4
193.05020	2.0
203.03447	0.4
204.04135	0.5
205.05029	2.5
217.05023	1.6
223.07509	0.6
241.05194	0.6
253.08696	0.8
267.06592	0.5
283.10220	0.4
297.07648	0.5
299.09274	0.4
307.06143	0.5
311.09146	0.5
312.09912	0.4
327.08707	26.6
328.09091	2.5
337.07404	0.4
341.10455	0.6
342.11050	19.2
343.11591	2.1
355.08197	100.0
356.08557	10.7
357.09735	2.1
393.92758	0.4
411.18109	27.1
412.18436	3.4
680.18842	0.9
694.93054	0.4
698.19855	1.1
739.28308	0.6
749.26288	1.6
750.26642	0.6
767.26953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.5
60.99306	18.0
61.98828	2.0
67.47737	0.3
71.01379	0.6
71.54375	0.4
80.12106	0.3
85.91397	0.3
87.00881	2.5
87.99912	0.6
88.00410	6.5
88.01222	0.3
88.98804	100.0
89.02442	20.8
89.99135	1.4
90.02801	0.3
92.81271	0.2
101.02461	0.5
125.02441	0.3
128.36694	0.3
129.91696	0.2
150.86902	0.3
165.86696	0.3
184.62074	0.3
190.08667	0.3
277.21692	0.9
397.13474	1.6
398.13785	0.4
415.14743	0.5
630.98639	0.3
754.08411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.8
57.64696	1.6
59.01379	36.7
61.98831	29.5
63.54350	1.5
69.03449	3.0
69.46967	11.5
71.01377	33.0
72.99295	3.1
73.02953	5.4
81.03477	2.9
83.01382	3.9
83.05025	3.8
85.02940	7.0
87.00879	5.3
89.02435	28.9
95.01393	2.0
95.05003	2.2
97.02946	6.5
97.06587	5.0
101.02439	19.5
109.02948	1.6
111.00803	1.7
111.04573	1.6
113.02451	10.9
116.92886	2.2
119.03490	7.9
123.04545	4.1
123.08134	2.0
125.02421	9.3
125.09711	5.7
137.02429	1.9
137.09709	3.2
143.03511	5.2
146.14467	1.6
149.04509	2.1
161.04552	5.0
163.11273	8.8
165.12785	3.8
179.05585	4.1
181.12311	3.1
185.11810	7.6
191.05583	4.5
191.14337	8.3
207.10207	2.7
209.11810	26.7
211.13167	2.0
217.15900	1.9
225.11414	4.0
227.12849	3.5
235.08168	7.7
245.19081	18.1
246.19203	1.6
263.07730	3.1
263.20105	3.5
267.12350	2.5
271.16791	2.5
289.14706	2.2
289.18079	76.0
290.18472	7.7
307.19128	100.0
308.19434	11.3
397.13461	60.9
398.13794	6.0
415.14505	45.7
415.19882	3.3
416.14957	4.7
502.81964	1.9
607.26062	6.2
608.25562	2.0
636.99854	2.2
687.31818	2.2
705.33228	10.5
759.03357	1.7
770.35162	2.0
788.72021	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	765.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99305	16.7
61.98816	1.0
71.01307	1.3
87.00853	1.1
88.00410	4.0
88.98805	100.0
89.02447	11.6
89.99123	0.8
93.61520	0.5
112.83789	0.5
121.74544	0.4
139.87488	0.6
179.63298	0.5
384.62570	0.5
397.13464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4273
Annotation	Tarasaponin VI
Peak:m/z	Relative Intensity
55.01873	1.1
55.48975	0.3
57.03445	1.8
58.00592	0.8
59.01380	13.2
61.98815	0.4
67.01894	1.4
68.99803	1.1
69.03438	0.3
69.44234	0.4
69.44647	1.5
71.01380	13.8
72.01716	0.4
72.99303	2.8
73.02944	1.3
73.78162	0.2
75.00877	4.0
83.01386	3.1
85.02951	10.3
85.29170	0.3
87.00873	0.9
89.02450	6.2
95.01384	4.5
96.81145	0.3
97.02945	1.1
99.00879	4.7
101.02469	1.3
107.31938	0.3
111.00172	0.4
111.00880	5.1
112.01730	0.3
113.02450	7.4
119.03469	0.3
129.01917	0.8
131.03491	0.7
139.00363	3.2
151.66098	0.3
157.01439	0.6
165.82605	0.2
218.67857	0.3
286.80905	0.4
437.34259	0.7
453.33893	2.3
455.35251	4.8
456.35645	1.1
483.34879	2.2
484.35330	0.4
497.36636	0.3
511.34164	0.7
523.37268	0.4
537.35699	1.0
551.37555	3.4
552.37567	0.7
569.38544	2.5
570.39148	0.5
631.38898	0.6
632.38367	0.5
701.42804	0.5
763.42706	100.0
764.43048	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	765.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	12.9
61.98824	19.6
67.01872	4.5
69.33865	13.7
69.34280	3.9
71.01364	6.5
72.99296	10.0
73.02961	2.2
76.08398	2.2
81.03431	2.7
83.01361	5.0
84.02170	2.6
85.02946	6.7
87.00879	4.2
89.02465	3.0
93.03452	5.6
94.13519	2.3
97.02922	2.8
101.02480	2.4
107.05042	4.8
108.02161	6.8
109.02940	8.0
111.00868	8.0
111.04517	3.2
113.02451	4.1
113.50616	2.0
117.03410	2.9
119.05000	4.7
121.02980	10.7
122.03673	2.4
123.00863	8.5
123.04504	6.9
124.01675	3.2
125.02438	4.8
127.00328	4.7
133.02954	3.9
135.04498	8.5
136.01657	15.8
137.02399	8.1
145.02919	3.6
146.03674	3.7
147.04494	7.2
149.02411	6.7
149.04562	2.6
149.06062	2.3
150.03177	6.5
151.04025	20.3
157.06525	2.9
159.04500	8.3
160.05302	3.4
160.88933	2.2
161.02473	15.0
161.06035	9.6
162.06625	2.3
163.03944	7.2
163.07703	2.9
164.01114	3.3
164.04738	4.5
165.01883	2.4
165.05571	5.0
171.04543	2.4
172.05247	3.4
173.02426	3.0
173.04620	2.5
173.06056	7.0
174.03183	3.3
175.04002	21.2
175.07663	2.8
176.01106	5.1
176.04739	2.8
177.01901	8.6
177.05551	7.3
185.06154	2.3
187.03958	7.8
187.07664	4.8
188.04671	4.0
189.01912	17.4
189.05562	11.1
190.02641	4.9
190.06255	6.6
191.03487	4.9
191.05499	7.6
191.07059	5.1
192.58006	2.5
199.03899	3.1
199.07547	4.3
200.04671	3.1
201.05525	7.7
202.02525	3.2
203.03479	8.2
203.07097	3.4
205.01393	9.3
205.05080	3.8
206.02057	2.8
213.05595	4.8
215.03526	4.6
215.07129	4.6
217.01314	4.5
217.05103	6.3
218.02205	5.3
219.03004	13.0
220.03604	5.4
225.05551	3.6
226.06229	2.4
227.07054	2.9
231.02928	7.2
231.06636	3.1
233.08075	3.5
239.07028	3.3
241.05074	3.8
327.12277	2.5
343.11765	3.0
357.13620	4.4
359.11258	11.7
361.12946	16.2
371.11389	5.8
373.12888	4.1
385.12830	4.0
387.10223	3.8
387.14651	22.1
389.12433	11.1
401.12253	3.9
411.14459	3.7
413.12051	3.7
416.05103	2.5
454.12656	33.5
455.13388	5.3
559.31421	4.9
617.23822	3.8
635.24957	33.0
636.24927	8.5
637.22845	11.9
647.25067	4.4
649.26685	14.9
650.27313	2.6
659.24988	27.9
660.25171	5.9
661.22827	4.2
675.24341	9.2
677.25940	33.9
678.26575	8.0
679.23651	5.0
685.22894	14.7
703.23901	100.0
704.24091	22.9
721.24927	87.6
722.25110	28.7
765.23969	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	763.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97342	1.7
61.98823	3.0
68.99560	1.6
69.47654	12.1
71.01376	9.2
78.98576	6.6
79.95731	15.7
80.96513	74.4
85.02946	2.1
87.00864	3.8
94.98070	11.1
101.02432	4.1
106.98080	3.8
122.97552	2.5
125.02484	3.8
134.97562	5.3
148.99097	7.0
150.30128	1.5
152.98593	5.9
164.98586	11.8
184.44664	1.5
206.99696	2.7
213.74113	1.8
225.00752	22.7
255.23109	2.5
287.10928	1.7
447.07709	1.7
462.62811	1.8
507.15533	2.5
537.27686	2.0
763.39386	100.0
764.39655	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	763.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01368	0.4
65.00314	0.5
69.03446	1.5
69.31512	3.1
71.01341	0.3
73.02934	0.4
73.30917	0.4
83.01383	0.3
85.02913	0.3
98.19908	0.6
107.01389	2.1
108.02176	0.9
108.29423	0.3
109.02933	1.5
109.76461	0.3
111.08166	0.4
115.81953	0.3
121.02995	1.9
131.03537	0.3
135.00885	0.8
139.11281	2.2
148.01685	0.8
149.32324	0.3
151.00377	9.2
159.04541	0.4
163.00389	1.9
164.01135	0.4
178.99878	4.6
180.00339	0.4
183.10263	11.8
199.03870	0.5
203.29878	0.4
211.04053	0.9
215.03709	0.4
226.02646	0.7
227.03494	1.2
229.05026	0.8
243.02950	4.5
244.03491	0.4
245.04552	1.1
254.02220	1.1
254.59329	0.4
255.03003	13.6
256.03342	1.7
271.02475	26.8
272.02921	2.6
273.03928	0.8
283.02448	1.9
299.02072	0.6
300.02753	52.8
301.03494	41.2
302.03876	3.1
315.14502	5.5
316.14737	0.6
384.43939	0.3
447.09320	100.0
448.09692	10.8
582.21356	0.4
615.09143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.0
60.26654	0.3
65.00378	0.3
66.91370	0.3
67.63075	0.4
69.46922	2.2
69.47320	0.8
83.05028	1.2
98.20757	0.4
107.01397	0.6
108.02165	0.5
111.06345	0.3
121.02920	0.3
139.11285	0.8
140.36136	0.3
151.00380	2.1
160.42821	0.4
163.00386	0.6
163.11357	0.8
165.12804	0.5
178.99870	0.8
179.14409	1.6
191.05574	0.7
195.13892	0.7
197.15453	13.7
198.15773	1.4
225.14944	19.0
226.15302	1.2
227.03505	0.7
243.02988	2.9
243.15991	100.0
244.16321	7.4
254.02214	0.8
255.02974	8.0
256.03381	0.7
271.02451	17.5
272.02832	1.6
285.17053	64.0
286.17386	5.4
299.02036	0.5
300.02728	44.9
301.03369	12.4
302.04037	0.9
433.07706	53.6
434.08023	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	759.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.1
59.01371	1.3
67.01885	0.3
70.38705	0.5
70.84970	0.1
71.01388	1.0
72.99280	0.2
73.02943	0.3
81.03454	0.3
83.08775	0.2
85.02950	4.9
87.00862	1.4
89.02431	0.5
92.76789	0.1
93.03455	2.1
96.96025	0.2
98.20541	0.2
99.00867	0.3
99.04514	0.2
101.02441	0.2
109.02964	0.4
111.01950	0.1
111.04488	0.8
113.02435	0.2
117.66750	0.1
119.03532	0.1
119.05004	1.2
125.02436	0.2
127.04022	1.4
132.62654	0.1
133.02953	0.5
134.03738	0.3
135.04527	1.0
137.02396	0.2
150.03151	0.2
151.04053	0.2
155.03508	0.2
161.02425	1.5
163.04016	1.4
165.05516	0.4
171.02963	0.4
173.04506	1.3
179.03491	0.9
191.05605	100.0
192.05946	4.6
193.04765	0.2
193.06302	0.2
325.09467	0.2
353.08746	16.2
354.09097	1.8
405.17572	0.3
406.74368	0.2
415.61435	0.2
431.15735	0.2
505.19495	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	761.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.3
61.98834	8.4
68.99812	1.2
69.03416	1.0
71.01364	1.9
79.05522	0.7
83.01391	1.5
87.00893	0.9
93.03458	2.2
95.01376	2.6
97.02953	1.4
99.00871	4.0
103.05569	0.7
107.05024	1.5
108.02167	1.8
109.02954	9.6
110.00064	1.4
111.00880	2.3
113.02577	0.8
115.05516	2.2
116.92829	0.7
119.04984	1.6
121.02956	2.3
122.03709	0.8
123.00880	8.4
123.04523	2.0
124.01615	2.6
125.02447	8.0
131.04988	1.2
133.06587	1.4
135.04492	2.2
136.01671	6.5
137.02448	15.4
139.00359	5.5
140.01155	38.3
141.01866	1.6
146.03735	1.1
146.13402	0.7
147.04472	1.9
149.02440	2.9
149.06096	1.2
150.03189	2.4
151.00342	1.5
151.03993	5.5
152.01105	1.8
153.01920	6.6
158.03644	1.0
159.04510	3.7
160.01630	0.9
161.02409	2.2
161.06061	1.4
162.03221	1.3
163.03920	1.7
165.01962	1.8
165.05553	3.7
173.06085	0.8
175.03998	4.3
176.04691	0.8
177.01877	2.6
177.05530	3.5
179.03423	0.9
179.07195	0.7
187.03979	3.6
189.05522	2.0
190.02631	1.4
190.06485	0.9
191.03468	0.8
191.05441	0.7
193.05032	1.7
201.05551	1.0
203.03519	3.5
205.04985	3.9
206.09814	0.6
213.05522	0.8
218.05670	1.6
219.03041	0.7
239.03613	0.8
242.02174	0.9
245.00833	1.0
269.12961	2.0
327.08771	1.2
329.10355	1.6
331.12051	1.9
341.06625	0.9
343.11664	2.3
356.09192	0.8
357.09756	1.1
359.11331	11.5
360.11511	1.4
361.12851	1.5
371.11319	100.0
372.11624	10.9
373.12949	9.9
374.13165	1.2
385.42862	0.8
387.10831	17.0
387.55896	0.9
388.11087	1.8
389.12405	27.6
390.12683	2.7
401.12360	4.5
402.12820	1.0
427.13977	0.8
663.94446	0.9
699.24670	0.8
715.25134	0.8
717.25525	1.6
725.21686	0.9
743.23389	9.8
744.24030	2.9
761.24133	5.3
762.24792	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	759.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37099	0.4
59.01382	1.2
59.33380	0.4
61.98826	4.9
65.03965	0.4
67.01901	1.1
68.99812	2.7
69.03459	0.9
69.88216	1.8
79.01931	0.4
89.03996	1.0
93.03468	1.9
95.01388	19.7
96.01720	0.8
97.03004	0.5
98.00114	0.5
104.44076	0.5
105.03496	0.9
107.05035	1.7
108.02168	4.0
109.02963	6.0
110.00090	0.6
111.00884	4.2
115.05496	0.4
116.49593	0.4
116.92871	0.9
117.03474	0.8
121.02957	5.2
122.03733	1.3
123.00888	100.0
123.04482	4.0
124.01254	1.7
124.01635	2.0
125.02428	1.3
128.01115	0.5
131.05006	1.0
133.02963	3.7
133.06578	0.5
134.03705	0.9
135.04559	2.0
136.01663	59.7
137.02541	4.4
137.06084	1.1
138.03204	1.8
143.05023	0.6
145.06693	0.5
146.03722	0.4
147.04536	1.6
149.02444	4.5
149.06122	1.3
150.03154	0.6
151.04015	46.7
152.01230	0.6
152.04388	2.0
159.04440	2.0
160.05299	1.0
161.02454	2.8
161.06094	0.7
162.03220	6.5
163.04022	4.5
164.04550	0.6
165.01955	0.7
165.05511	0.6
168.71060	0.4
173.02443	0.5
174.03172	1.3
175.04031	2.5
176.04713	0.6
177.01964	5.9
177.05563	10.7
177.07118	0.6
178.02625	0.8
178.05989	0.5
179.03583	1.7
187.04024	0.9
189.05560	1.8
190.02754	0.6
190.06207	0.7
191.03430	0.7
193.05032	4.6
202.02771	0.9
203.03371	0.7
204.04396	0.5
205.05074	1.7
205.08469	0.4
285.07599	0.4
299.13284	0.4
311.12991	0.5
313.07199	1.0
313.10953	0.5
327.08920	0.7
328.09528	0.6
341.06589	0.8
342.10977	1.6
343.11844	5.1
355.08188	1.9
356.08774	1.2
356.12650	1.4
357.13416	19.3
358.13925	2.1
371.11334	53.8
372.11780	7.4
480.14258	7.3
481.14532	1.2
514.45117	0.5
701.25977	1.2
729.25494	61.5
730.25848	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	759.267
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01956	0.5
67.01892	5.7
68.99820	9.1
71.01385	1.4
75.85474	0.6
79.01922	0.7
83.01369	0.7
89.78214	0.5
93.03460	2.3
95.01385	14.5
98.00101	0.7
105.03452	1.1
106.76600	0.4
107.01392	2.5
107.05029	1.0
108.02166	9.5
109.02966	9.5
110.00081	0.6
111.00889	5.7
117.03474	2.7
119.05032	0.8
121.02957	10.6
122.03732	1.6
123.00889	78.5
123.04529	16.7
124.01748	6.4
124.04832	0.8
125.02438	2.3
129.99077	0.7
131.05061	1.2
133.02965	4.6
133.06587	1.2
134.03734	2.2
135.04532	2.3
136.01660	100.0
136.05247	2.5
137.02451	5.1
137.06059	1.4
138.03221	17.3
139.00314	0.8
139.03629	0.5
143.04938	0.6
144.49854	0.5
145.02960	2.1
146.03697	0.8
147.04520	3.0
149.02419	4.1
149.06110	1.4
150.03271	0.8
151.04005	96.8
152.01181	0.6
152.04361	4.4
153.01906	0.6
158.03691	1.1
159.04520	2.0
160.05351	2.6
161.02443	13.5
161.06096	2.0
162.03227	40.3
163.04015	14.6
164.04521	0.8
165.05603	0.9
167.03491	0.8
168.04240	0.9
173.06052	1.2
174.03229	5.9
175.03993	7.3
175.07640	1.4
177.02095	4.3
177.05562	53.7
178.02666	1.3
178.05876	2.5
179.03505	4.4
187.03998	1.7
189.05582	9.5
190.06308	2.4
191.03531	0.6
192.04317	1.0
193.05048	25.5
194.05524	1.8
203.03493	1.1
203.07144	0.9
205.05040	1.7
208.03764	0.7
238.06464	0.6
239.07245	0.8
251.07130	1.5
255.06624	1.0
266.05960	1.3
267.06561	1.3
270.08856	1.0
278.82260	0.5
281.08139	3.2
282.08984	2.4
296.10529	3.4
297.11295	4.3
299.12860	0.7
311.09283	2.2
311.12668	1.0
326.08002	1.7
327.08707	0.9
327.12299	7.2
328.12888	1.0
329.10294	0.5
341.06686	1.0
341.10303	3.5
342.11072	9.8
343.11877	4.2
344.12234	0.8
355.07840	0.6
355.11862	0.7
356.12637	48.7
357.13397	80.2
358.13776	8.7
371.11334	72.6
372.11768	11.0
373.12894	7.0
374.13196	0.7
401.12408	1.7
480.14212	3.7
701.26410	1.2
729.25507	61.2
730.12720	0.8
730.25824	16.7
750.24823	0.6
759.26141	4.1
760.26514	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98987	0.3
57.03447	2.3
59.01379	11.2
59.69090	0.3
63.82694	0.3
67.30473	0.3
69.43439	0.6
69.43847	1.9
71.01392	0.6
73.02953	0.4
75.28446	0.3
76.15865	0.4
83.05028	4.4
85.02967	0.6
87.00903	0.4
89.02459	0.6
93.03466	0.6
97.06586	2.7
123.08185	0.9
135.04543	1.3
137.09750	0.9
139.11296	0.8
149.04564	0.8
149.09731	0.8
151.11314	0.5
163.11301	5.5
165.12817	0.8
167.14468	0.9
173.04550	0.5
175.03966	0.4
177.12883	0.8
179.03476	0.5
179.14398	4.4
180.14774	0.6
191.05634	3.3
195.13896	18.3
196.14229	1.3
197.15457	3.5
202.08058	0.3
223.13387	16.7
224.13699	1.2
229.08723	0.8
239.16566	0.7
241.14445	100.0
242.14793	8.2
268.03772	2.3
269.04532	0.8
273.07785	0.5
283.15500	55.3
284.15857	5.1
311.05551	0.9
327.04916	0.5
427.80057	0.3
431.09860	6.1
432.10001	0.6
447.08643	0.4
506.49030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96797	0.4
59.01374	0.5
61.98826	7.9
67.01866	0.6
69.03448	1.4
76.44684	0.4
83.01404	1.1
83.56978	0.4
93.03458	1.4
95.01391	2.0
97.02943	0.5
99.87630	0.4
102.56661	0.5
107.04974	0.7
108.02197	1.0
109.02952	10.8
116.92846	1.4
119.04948	0.6
121.02950	5.2
122.03741	1.4
123.00863	2.0
123.04510	2.4
124.01656	1.1
125.02448	3.7
131.05023	0.9
133.02966	0.7
133.06586	0.8
134.03766	0.5
135.04520	0.7
136.01660	7.0
137.02441	20.7
138.02818	0.8
143.05070	0.8
145.02934	0.7
146.03725	0.6
147.04504	1.8
149.02408	1.8
151.03995	6.1
153.01881	0.5
158.03769	0.8
159.04471	3.1
161.02400	1.3
161.06104	1.1
162.03255	0.5
163.04050	1.0
171.10272	2.8
173.06154	0.7
174.03212	0.7
175.03961	4.1
176.04773	6.3
177.01941	1.8
177.05496	1.5
178.02733	0.4
187.03995	6.7
189.05547	1.7
190.02783	0.6
190.06302	1.6
191.07124	0.6
192.04228	0.6
203.03415	1.3
205.05048	2.3
209.11882	1.1
218.05806	2.3
220.03717	0.6
233.08154	1.8
253.08870	0.7
267.06592	0.5
279.06650	0.6
293.08148	0.5
293.21368	0.5
294.09073	0.8
294.21823	0.6
299.63504	0.5
308.06696	0.6
309.11093	0.6
309.20706	1.4
313.07202	0.6
327.08759	0.7
327.12424	1.8
336.04684	0.5
341.06519	1.1
342.10944	1.9
343.11841	2.8
355.08090	2.5
356.08899	2.0
357.09985	0.8
357.13416	20.1
358.13602	2.4
371.11319	100.0
372.06949	0.6
372.11661	11.3
373.12799	1.9
467.14066	0.5
711.24127	1.6
712.24243	0.8
727.17633	0.6
729.25140	1.4
759.23242	2.1
760.22913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35361	0.6
59.01373	2.6
61.98824	2.7
65.40907	0.6
71.01344	0.6
73.46714	0.6
81.79121	0.6
85.02953	2.0
89.02496	0.9
93.03460	1.2
95.01386	0.8
96.96008	1.1
105.03391	0.6
108.02149	1.1
109.02981	1.0
121.02967	1.8
123.04541	1.6
136.01657	9.0
137.02403	2.0
139.07625	0.8
143.76872	0.7
149.02448	2.3
150.03183	0.7
151.04018	6.8
152.01146	0.8
159.04459	0.9
162.06874	1.5
164.04836	0.7
167.03503	2.2
173.02475	0.7
173.06067	0.7
175.04013	1.6
177.01939	0.9
177.09215	0.9
185.06143	0.7
187.03996	1.3
189.01924	1.9
189.05507	0.7
197.88124	0.6
201.01839	1.0
202.02748	0.7
205.01402	1.0
227.03496	1.1
230.02055	0.9
231.03023	1.2
241.05026	0.6
251.07098	0.7
255.02681	1.2
271.02399	0.9
294.97186	0.7
306.04980	0.7
355.11795	0.9
449.12601	0.9
461.12378	0.8
462.12839	0.7
469.11353	0.6
697.22998	3.7
698.22858	1.6
715.22791	1.1
715.42499	1.0
740.67877	0.8
759.22888	100.0
760.23291	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	20.6
59.01391	2.4
60.75707	0.4
61.31372	0.4
63.14860	0.4
63.68600	0.5
65.49068	0.4
69.62441	2.3
71.01375	2.6
72.02169	1.5
73.19507	0.5
81.07079	1.4
83.05019	17.0
84.05351	0.8
87.04513	58.8
88.04859	0.9
95.05015	3.1
97.06589	12.4
98.03738	1.8
108.44385	0.5
109.02930	0.8
109.06609	1.0
113.06085	8.2
114.06416	0.6
121.02969	0.6
121.06590	1.6
123.08151	1.3
123.28746	0.5
135.08165	1.3
137.09715	14.5
139.07614	1.5
139.11211	0.6
149.09686	1.7
151.00365	2.8
151.11229	1.0
153.09210	9.4
154.09607	0.6
161.09750	0.5
163.00418	1.1
163.11249	0.9
165.12875	5.6
177.12831	1.2
178.99832	1.3
179.10762	1.3
191.05563	1.4
193.12312	1.4
195.13889	24.7
196.14207	1.4
204.11522	1.0
209.15407	1.4
219.13879	4.1
227.03589	0.5
237.14941	100.0
238.15276	7.1
239.12886	5.4
243.02954	2.1
245.04622	0.5
255.02940	5.9
256.03500	0.7
257.10001	0.5
271.02481	10.5
272.02875	1.3
281.13928	42.6
282.14145	4.4
300.02728	24.8
301.03491	19.6
302.03915	1.2
396.85828	0.5
433.07721	40.4
434.08002	5.7
453.12244	0.5
476.12891	0.5
623.77350	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07503	0.5
57.03446	23.3
59.01382	2.9
61.98833	0.8
69.24635	4.8
71.01379	3.1
72.02159	1.4
83.05024	18.4
85.02943	1.6
87.04514	60.3
88.04843	1.4
89.02414	0.7
93.03446	0.7
95.05004	2.7
97.06588	13.3
98.03754	1.2
98.30183	0.5
107.01377	0.9
109.02934	1.0
109.06606	0.8
113.06092	8.3
121.06583	1.6
123.08154	1.6
126.92597	0.5
135.04474	0.6
135.08182	1.2
137.09720	15.7
138.10034	0.7
139.07640	1.9
139.11292	1.2
147.11931	0.5
149.04501	1.0
149.09685	3.2
151.00433	3.2
151.11256	1.4
153.09224	10.0
161.09750	1.0
163.00346	0.7
163.11279	1.1
165.12810	5.9
167.14348	0.6
173.02277	0.6
177.12788	1.1
178.13084	0.5
178.99855	1.5
179.10791	0.7
191.05618	2.5
193.12309	1.3
195.13896	26.8
196.14235	2.2
201.12776	0.9
204.11359	0.7
209.15445	1.7
219.13919	4.6
237.14952	100.0
238.15320	6.6
239.12898	5.6
243.00604	0.6
243.02838	2.7
245.04536	0.8
247.71973	0.6
254.02298	0.5
255.03029	5.7
271.02496	13.4
272.02933	1.0
281.13940	42.5
282.14313	3.7
300.02744	26.1
301.03470	16.0
302.03903	1.2
327.82306	0.6
349.99542	0.6
391.12082	0.9
433.07709	41.6
434.07990	4.3
435.10889	0.6
591.14923	0.9
655.32123	0.6
780.88904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	1.0
59.01380	7.2
61.98823	2.1
63.93930	0.4
68.99528	0.6
71.01381	100.0
71.53886	0.4
72.01715	1.7
73.02945	1.3
76.34679	0.4
78.95925	0.4
83.01373	0.6
83.05038	0.7
85.02953	1.7
87.00877	1.5
89.02435	2.3
97.02962	0.6
99.00909	0.8
101.02422	2.9
109.06591	3.0
110.41826	0.4
112.98640	0.7
113.02457	1.9
114.05630	0.5
114.93427	2.7
115.00347	1.1
119.03457	0.7
125.09710	1.3
127.11262	2.4
137.09682	0.7
145.05081	0.6
149.50876	0.5
153.09221	0.6
155.10774	0.8
161.04568	1.9
163.11270	1.4
171.10268	68.9
172.10593	3.8
181.08730	1.1
181.12233	0.9
182.38310	0.4
199.09750	8.5
199.13316	0.5
200.10133	0.6
201.11346	6.5
207.10262	10.1
208.10571	0.6
225.11320	7.0
235.08246	3.4
243.12390	0.7
253.09254	8.8
254.09731	0.6
259.20493	0.6
277.21710	82.9
278.22064	9.4
293.21466	0.5
407.18387	0.5
435.18521	0.8
461.20059	2.0
567.50952	0.4
595.75757	0.5
695.40051	0.7
721.41681	2.4
722.42517	1.1
757.43530	5.3
758.44470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75567	0.6
57.03447	0.8
59.01381	6.4
61.98532	1.0
61.98824	11.2
64.08735	0.6
69.20800	4.6
69.21204	1.2
71.01378	71.4
72.01708	1.3
73.02935	1.7
81.25359	0.6
82.87238	0.7
83.05027	0.9
85.02942	1.4
87.00871	1.6
87.07306	0.6
89.02432	2.1
91.90218	0.6
96.67699	0.6
97.02937	1.0
99.00883	1.1
101.02433	3.9
109.06590	2.9
113.02486	1.5
119.03526	0.7
125.09698	1.5
127.11287	1.6
145.05072	0.9
155.10875	0.9
161.04539	2.1
163.11250	3.1
163.83017	0.6
171.10258	39.7
172.10606	2.1
181.08693	1.4
181.12315	1.5
199.09758	9.9
199.13251	0.6
200.10164	0.6
201.11310	5.5
207.08394	0.7
207.10255	10.6
225.11287	7.3
235.08240	5.3
236.08313	0.7
243.12309	1.0
253.09219	10.0
277.21701	100.0
278.22064	9.8
461.20081	1.3
491.36795	0.8
695.39508	1.1
721.42010	3.3
722.22290	0.8
722.42303	1.7
739.42676	1.2
757.43805	7.6
758.43939	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	757.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64172	1.6
57.03452	1.8
57.30711	1.7
59.01376	10.5
61.98813	7.5
67.33775	1.9
71.01377	3.3
71.54047	3.0
73.02948	2.1
85.02963	4.2
89.02439	2.1
93.03432	1.9
96.27725	1.6
96.96021	2.3
116.92825	1.8
121.02924	2.1
125.02409	2.9
137.02484	4.0
149.02481	2.1
149.06090	7.4
150.06871	35.6
151.07300	2.6
163.07649	12.5
164.08412	7.8
173.04581	1.6
175.04018	2.5
176.08501	2.9
178.10037	3.1
179.10815	11.8
191.05612	3.1
193.05005	2.2
252.57463	1.6
295.52475	1.5
299.02039	4.6
329.23276	5.0
388.17618	1.6
448.31854	7.3
462.33481	2.9
463.34073	8.8
470.95078	2.0
490.33322	2.9
491.33969	4.7
508.33746	2.2
509.34851	21.0
713.41187	100.0
714.41614	24.3
752.61804	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	757.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
62.50356	11.3
65.42852	10.5
71.54605	18.1
78.95900	20.3
83.75500	12.0
88.98831	16.9
146.98277	14.6
160.64946	11.7
224.52650	13.2
225.11401	11.9
277.21481	18.7
373.16644	15.4
757.39612	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	757.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49662	10.6
61.98831	100.0
68.73706	13.2
69.75542	33.7
69.75951	25.3
98.19904	22.0
181.12167	11.5
209.11913	12.5
225.11282	32.8
277.21701	47.7
291.64713	11.4
461.20099	20.2
721.41827	22.0
757.39612	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.2
59.01378	0.8
60.02071	0.1
63.65991	0.1
67.01890	0.1
69.03455	0.2
69.45683	0.2
69.46078	0.7
71.01384	0.7
73.02965	0.2
77.95551	0.1
83.05033	0.1
84.41626	0.1
85.02946	6.2
86.03272	0.2
87.00864	1.1
89.02399	0.2
93.03454	3.3
94.03782	0.2
96.96029	0.1
99.04514	0.2
101.02470	0.3
109.02954	0.4
111.04534	0.9
113.02424	0.2
119.05038	1.0
125.02435	0.1
127.04013	1.7
133.02962	0.5
135.04518	1.0
137.02437	2.0
161.02405	1.5
163.04001	1.1
171.02979	0.4
173.04520	1.1
178.02739	0.2
179.03456	0.9
190.34953	0.1
191.05602	100.0
192.05940	4.4
193.04822	0.1
194.05632	0.1
195.13812	0.2
209.08142	0.5
263.64542	0.1
276.94440	0.1
299.07495	0.3
299.11084	0.1
326.96283	0.1
337.09418	0.1
353.08749	14.3
354.09122	1.3
408.54031	0.1
727.56207	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	757.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.6
59.01378	20.7
62.69334	0.4
69.03416	0.4
69.35174	3.1
71.01380	17.2
72.99298	0.9
73.02950	4.6
80.61457	0.4
81.16479	0.4
83.01409	0.8
85.02944	2.2
87.00867	0.6
89.02440	23.6
90.02760	0.5
93.03454	1.6
95.01346	0.5
97.02958	0.6
99.00872	8.7
100.63683	0.4
101.02437	10.1
113.02448	3.7
119.03545	3.2
119.05024	88.0
120.05358	3.8
125.02451	1.4
130.43265	0.4
131.03503	3.0
135.04576	1.7
137.02487	0.7
137.06032	0.8
143.03477	0.6
149.04562	6.8
161.04568	1.0
163.04001	57.1
163.90254	0.4
164.04367	3.6
167.03329	0.4
173.04570	2.8
173.05791	0.4
179.03467	1.6
191.05630	7.2
191.07338	0.5
200.88469	0.4
251.07610	0.5
299.11401	1.4
325.09268	8.0
326.09726	0.8
353.08725	2.0
412.90491	0.4
431.15546	100.0
432.15903	11.8
757.20129	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	0.5
71.54401	0.6
73.02955	0.6
77.03960	1.7
79.01902	0.8
85.52785	0.5
87.00852	0.7
89.02439	3.5
89.03950	0.7
93.03442	1.6
105.03455	0.7
117.03461	8.8
119.05051	1.1
121.02945	1.7
121.40348	0.5
131.03525	0.8
134.03738	45.5
135.04189	1.5
149.02443	1.8
149.04526	15.5
149.06023	2.7
159.04482	1.7
161.02446	2.2
163.00400	1.0
163.03996	2.5
171.29163	0.4
178.86217	0.5
189.02144	0.6
191.03435	1.4
191.05524	1.1
192.04622	0.4
193.05043	48.4
194.05391	2.3
196.05177	0.5
197.05965	0.6
197.98425	0.5
203.03510	1.2
211.07703	0.6
215.07205	0.8
224.04710	0.6
239.07161	0.8
240.16077	0.8
258.47797	0.6
268.03683	2.0
269.04340	2.4
281.04495	2.1
282.05396	1.1
282.17026	1.4
283.06097	38.4
284.06384	3.4
293.04541	1.4
295.06055	1.1
311.05585	70.2
312.05951	7.9
314.04404	0.7
323.05725	2.8
325.09375	8.4
326.09476	1.0
341.06616	8.3
342.07016	1.0
350.29312	0.5
392.75845	0.5
431.09796	100.0
431.63034	0.6
432.10107	12.6
445.80283	0.5
570.98450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	1.4
65.00343	0.9
67.01898	0.9
68.99829	1.6
69.03445	0.7
71.01379	0.8
76.26196	0.6
79.01851	0.7
81.03461	0.7
93.03463	3.0
95.01389	26.4
95.05000	0.7
98.00101	0.7
102.40889	0.6
104.82104	0.6
105.03460	1.3
107.05040	2.5
108.02171	8.5
109.02957	7.6
110.00130	0.6
111.00867	3.1
115.55747	0.7
116.92881	2.0
117.03449	1.0
119.05027	1.6
120.45373	0.6
121.02963	9.1
122.03739	2.6
123.00889	100.0
123.04515	2.5
124.01188	1.0
124.01759	1.7
125.02431	1.4
128.01192	0.9
131.05058	0.9
133.02921	1.8
133.06558	0.7
135.00948	1.3
135.04530	5.8
136.01660	13.0
137.02448	6.5
137.06076	1.2
138.03130	1.0
143.05049	0.9
147.04486	2.0
149.02451	3.6
149.06024	0.9
150.03223	1.7
151.04005	4.7
159.04536	1.0
161.02406	2.3
161.06123	1.3
163.03961	3.7
165.01874	0.7
165.05550	1.6
174.03125	0.7
175.03995	2.3
176.04779	2.1
177.01930	1.7
177.05557	3.2
178.02687	0.7
179.03375	0.6
187.03975	1.0
190.06271	0.9
191.03560	1.1
205.04909	1.1
209.06058	0.7
213.05650	0.6
229.47412	0.7
259.53705	0.7
283.09656	0.7
295.41971	0.8
299.09198	0.8
301.10660	0.9
312.88373	0.6
313.07254	1.0
313.10587	0.6
326.42084	0.6
327.08777	0.9
327.12195	0.9
341.06436	1.6
342.10944	2.7
343.11823	10.5
344.12326	1.0
355.08215	1.7
356.08691	1.0
356.12604	1.5
357.13486	1.1
370.10522	5.2
371.11331	26.8
372.11993	7.8
373.12845	0.9
385.08673	1.2
385.12982	14.3
386.13284	2.1
508.13663	2.6
561.16571	0.7
655.25385	2.1
683.25232	1.7
727.23535	4.1
757.24921	83.9
758.25378	24.2
758.39282	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.5
57.03445	0.6
59.01073	0.3
59.01377	6.1
61.98830	2.4
69.03455	0.7
71.01385	4.0
73.02953	1.1
75.49662	0.3
80.02267	0.3
80.02686	1.1
80.96497	0.3
81.03459	1.0
83.01411	0.4
83.05027	4.4
84.02175	0.7
85.02940	1.0
87.00874	1.1
89.02450	1.8
93.03477	0.4
95.01392	0.4
95.05036	0.7
97.02937	1.7
97.06593	0.5
101.02448	2.6
108.61385	0.3
109.06588	1.0
111.08167	4.1
113.02458	1.9
119.03502	0.9
125.06084	0.5
125.09704	0.5
135.08165	0.5
137.09718	0.5
143.03496	0.6
149.09645	0.3
153.12794	0.4
161.04553	1.4
163.11302	3.6
164.11679	0.4
165.12839	2.6
169.12372	1.7
170.73795	0.3
171.10251	4.2
179.05525	0.4
179.10664	0.5
181.12352	1.2
183.13847	0.4
191.10840	0.7
193.12230	0.4
195.13870	0.5
197.11829	20.6
198.12157	1.3
199.13338	1.7
201.11275	0.4
207.10286	0.9
209.11821	100.0
210.12172	6.9
211.13426	3.8
223.13452	0.5
225.11340	2.0
227.12881	13.7
228.13179	1.4
235.08229	3.6
247.20644	0.7
251.16496	0.5
252.51366	0.3
253.09283	13.5
254.09508	0.7
263.20184	0.8
265.18036	0.5
273.18658	0.5
275.20190	0.7
291.19653	13.0
292.19894	1.4
293.21146	3.5
294.21579	0.4
309.20709	36.4
310.21115	3.7
356.77808	0.3
421.99564	0.3
445.20886	1.5
461.20221	0.3
463.21771	0.7
501.31720	0.4
527.28406	0.4
545.29645	1.1
737.40955	0.5
755.41565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36880	0.7
55.01869	2.9
55.95717	0.7
57.03449	3.4
59.01379	61.4
60.01695	1.0
60.99332	1.0
61.98826	6.1
66.64831	0.9
69.03447	1.7
71.01380	45.0
71.55598	1.0
72.01730	1.2
72.99319	3.2
73.02944	11.6
75.00879	1.0
76.39478	0.8
80.69463	0.9
80.96511	2.3
83.01383	5.5
83.21226	0.8
85.02949	22.1
86.00108	1.8
87.00864	4.8
89.02451	12.3
93.03463	3.0
95.01388	4.6
96.96008	1.8
97.02946	3.4
99.00886	5.8
101.02444	27.8
109.02902	1.1
111.00880	3.4
112.01662	1.3
113.02458	16.7
119.03497	3.2
119.05045	1.9
123.04429	0.9
124.01654	2.8
125.02444	6.6
126.75388	0.8
126.84724	0.8
128.03522	0.9
129.01958	1.6
136.01668	1.1
137.02414	1.4
143.03474	4.6
159.02975	2.5
161.02350	1.0
161.04550	4.5
163.04059	1.5
165.05641	1.3
173.04543	1.6
175.06425	0.8
177.01765	0.9
181.05165	1.2
191.05602	13.9
191.07172	1.3
195.06615	0.8
225.00830	1.1
233.65640	0.9
299.25858	1.5
345.30142	6.1
431.07651	0.9
489.33997	4.0
507.22470	1.2
507.35312	9.5
510.90607	0.9
516.15094	0.9
615.36829	1.3
651.39532	100.0
652.39868	20.0
666.67188	1.1
669.40637	62.1
670.40631	14.3
711.41730	37.1
711.54498	1.7
712.42041	10.0
755.30640	1.1
756.33319	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	755.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.0
56.06217	0.8
57.03445	3.8
58.00585	2.3
59.01376	70.9
61.98842	1.8
69.03446	1.4
69.82451	4.3
71.01380	46.4
72.99304	2.8
73.02946	12.1
75.00870	2.7
80.96524	1.4
83.01391	7.4
85.02943	24.3
86.00101	1.8
87.00879	4.7
88.98783	1.5
89.02444	13.4
93.03463	1.9
95.01364	4.7
97.02942	2.7
99.00879	4.1
101.02443	26.8
102.02774	0.8
109.02992	1.1
111.00895	4.0
112.01675	1.1
113.02446	20.6
114.02856	0.8
119.03481	4.6
124.01676	2.8
125.02473	4.1
143.03479	2.9
159.02951	2.9
161.04555	5.5
173.04549	1.2
179.10815	1.0
191.05595	9.8
197.15392	0.9
198.39873	0.8
216.63712	1.0
345.30142	5.6
356.40302	0.9
431.07642	1.7
450.25781	0.9
489.34238	3.7
507.35226	7.6
615.37677	1.0
651.39557	100.0
652.39862	20.8
652.50000	1.5
669.40656	63.7
670.40997	13.0
711.41711	41.4
712.41888	9.9
755.32660	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
57.03436	2.5
59.01377	46.3
61.98534	1.2
61.98828	16.4
67.01875	1.5
68.27711	0.7
68.60574	0.7
71.01379	23.1
72.01717	0.9
73.02943	8.3
75.00854	0.8
81.03441	1.8
83.01376	3.6
83.05032	3.2
84.02147	1.3
85.02947	20.1
87.00874	2.3
89.02434	1.8
93.03461	2.3
95.01369	1.8
96.96003	2.1
99.00877	3.7
101.02438	12.4
111.00892	0.8
111.04527	4.7
113.02463	8.2
119.08643	1.6
125.02516	1.3
135.04558	0.8
137.09633	0.6
139.21063	0.7
150.03236	0.8
150.06860	2.7
159.03036	1.0
161.04547	5.6
163.07680	0.6
171.10168	1.0
173.04568	2.6
179.06900	0.7
179.10786	0.8
181.05130	1.4
191.05589	3.8
192.05954	0.7
193.12320	1.6
334.01108	0.9
371.22183	1.4
386.13394	1.1
507.33368	1.2
533.31232	14.4
534.31311	1.5
651.38904	1.4
695.36432	100.0
696.36774	24.7
711.40039	2.3
755.29462	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
59.01380	3.6
61.98595	0.4
61.98833	4.5
64.86301	0.5
71.01371	1.0
73.02937	1.6
85.02941	2.1
87.00876	0.5
89.02470	0.5
96.96004	0.7
99.04510	0.9
100.35596	0.5
101.02420	0.9
111.08099	0.7
113.06120	0.5
116.65252	0.5
125.02440	1.0
134.03703	1.0
135.08144	0.8
136.05289	0.7
149.02443	0.6
149.06079	7.3
150.06871	43.7
151.07242	2.3
153.09134	0.7
157.08701	0.7
161.09641	0.8
162.06834	0.7
163.07655	12.7
164.08446	6.6
167.03445	0.7
169.12364	0.8
176.08379	2.3
177.09135	1.2
177.97513	0.5
178.10020	2.8
179.10779	12.9
191.05597	1.0
193.05077	0.8
223.74925	0.6
235.97348	0.6
254.58093	0.5
260.70322	0.6
279.00839	0.5
279.23398	0.7
281.21124	1.3
281.40570	0.6
283.19247	0.6
327.21713	5.6
423.61887	0.6
428.29227	1.2
443.31705	1.0
446.30258	8.3
447.30719	1.3
460.31921	1.7
461.32678	9.3
462.33017	2.1
488.31180	1.7
489.32187	2.5
506.32584	2.9
507.33200	19.7
508.33582	4.1
514.07904	0.6
651.40039	0.6
669.38855	2.1
711.39563	100.0
712.39905	23.2
756.28345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07729	0.2
59.01385	0.9
59.99689	0.2
63.02398	0.5
69.54817	1.0
69.55235	0.5
71.01387	0.5
73.02964	0.3
73.44322	0.2
81.78999	0.2
83.01420	0.2
85.02951	1.0
90.08703	0.2
93.03477	0.4
95.05029	0.2
95.77157	0.2
96.02148	0.4
97.86729	0.3
101.02459	0.3
104.63490	0.2
105.88223	0.2
108.02168	0.3
111.04550	0.3
111.61185	0.2
117.03506	0.3
119.05032	0.7
124.01666	33.4
125.02032	1.0
134.03749	3.1
135.04424	0.4
137.02396	0.3
137.05110	0.5
137.06087	5.6
138.06425	1.5
139.04015	100.0
140.04352	4.5
163.04019	1.2
167.03362	0.2
173.04555	0.6
179.03502	0.4
181.05072	0.6
191.05614	2.1
193.05048	3.9
193.66957	0.2
194.05426	0.3
195.13892	0.8
219.19423	0.3
223.06056	0.5
231.74254	0.2
283.08276	0.3
343.10333	9.8
344.10727	1.1
353.08926	0.4
367.10416	2.1
367.15045	0.3
369.16541	0.4
531.14587	0.3
551.87976	0.3
687.96326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23074	0.1
59.01377	0.2
61.98830	100.0
62.98529	0.1
63.99272	0.1
67.60298	0.1
68.18946	0.1
69.67409	0.6
71.01380	0.3
73.65406	0.2
85.02966	0.3
93.03471	0.3
96.96070	0.2
101.02478	0.2
101.85796	0.1
109.02990	0.1
116.92942	0.2
125.02463	0.4
135.04501	0.2
137.02380	0.2
146.89421	0.1
158.48276	0.2
161.02501	0.2
173.04619	0.3
177.09253	0.1
191.05560	0.7
209.11957	0.3
226.89473	0.1
289.07263	0.2
293.21198	0.1
294.21582	0.1
318.42670	0.2
429.56808	0.1
450.15472	0.1
530.15430	0.1
754.21075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07820	0.3
59.01345	1.2
61.30925	0.3
67.01881	0.3
71.01345	0.5
71.55096	0.4
77.26399	0.3
93.03439	0.7
102.47462	0.3
106.16388	0.3
109.02934	0.4
110.00034	0.5
111.00798	0.4
111.67333	0.4
121.02928	0.5
123.04504	0.7
125.02405	0.6
131.07173	0.4
134.03726	0.3
139.00349	0.7
139.04054	0.5
149.02432	1.7
151.00327	0.4
153.01796	0.7
163.04037	0.5
164.98282	2.6
165.99077	1.3
167.03441	1.0
173.04526	0.4
175.00397	2.2
177.99030	0.5
180.00558	0.7
189.01863	0.9
191.05592	1.0
214.02647	0.7
215.03430	1.1
223.06160	0.4
229.01534	0.5
230.02171	1.0
231.02968	0.6
242.02203	0.9
243.02919	2.1
245.00854	0.4
255.02679	0.3
257.00861	0.6
258.01657	2.2
259.02304	1.8
269.00986	0.5
270.01779	0.5
271.02441	1.5
273.04059	0.4
276.69583	0.4
285.00443	0.8
285.03857	0.5
286.01187	5.6
287.01950	13.5
288.02176	1.0
297.00464	0.4
300.02798	1.1
301.03458	2.0
307.36926	0.3
314.00549	2.0
315.01440	39.0
316.01782	3.6
328.02151	0.5
329.03009	8.1
330.03784	52.2
331.04129	4.6
344.05389	3.1
345.06134	100.0
346.06467	9.6
390.94156	0.3
464.91867	0.3
489.10815	0.8
507.11508	4.9
512.16968	0.3
549.12488	22.8
550.12653	3.9
693.05774	0.3
705.57654	0.3
711.18158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.22
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	27.7
59.01379	10.2
59.85455	0.5
60.14347	0.5
60.36617	0.5
61.98831	79.0
69.21140	5.0
71.01408	1.4
81.03448	1.5
84.02164	5.7
85.02950	1.3
93.03445	1.2
95.01405	0.5
99.04521	39.1
100.04884	0.8
101.02448	8.8
108.02171	7.8
109.02964	1.6
119.05032	0.6
121.02962	5.4
122.03701	1.0
125.02449	28.7
126.02753	1.1
134.03716	0.6
135.04543	0.6
136.01674	4.3
137.02467	2.4
143.03485	1.4
145.02901	0.6
147.04541	1.8
149.02466	1.3
150.03195	1.2
159.04547	0.9
161.02425	1.0
161.06079	1.5
162.06914	1.2
163.04008	1.1
163.07610	1.3
165.01932	1.5
168.31735	0.6
173.05934	0.5
175.03960	2.5
176.04756	1.1
182.02214	0.8
187.04002	0.8
189.05560	1.8
190.06366	4.3
191.03468	1.8
191.07158	1.8
193.05061	0.9
198.59055	0.6
203.35965	0.6
204.04210	1.4
205.05061	0.8
205.08588	0.7
217.08733	0.9
219.06673	4.9
220.07365	1.7
235.09737	2.8
299.12637	0.6
327.12363	2.4
355.11902	2.4
356.12585	3.9
357.13303	1.4
385.12915	100.0
386.13257	15.3
420.44781	0.6
589.19312	1.5
590.19354	0.6
647.23553	1.5
691.22455	5.6
692.22302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	14.9
58.78080	0.5
59.01377	31.7
61.98833	1.0
65.74477	0.5
67.01888	0.6
69.24029	4.6
71.01380	7.2
73.02952	5.5
73.61301	0.5
83.01389	5.9
83.05048	1.8
83.64855	0.6
85.02966	2.9
87.00893	1.0
89.02433	2.5
93.03463	1.9
95.05000	1.5
96.95985	0.6
97.02962	0.6
97.06586	0.6
97.09560	0.5
99.04508	1.1
101.02444	4.3
105.03468	1.6
105.88248	0.5
107.05030	1.1
113.02466	1.7
113.58257	0.6
119.04999	0.7
123.04507	1.4
125.02480	0.8
125.06090	0.9
131.03494	2.0
133.02968	0.9
135.04579	0.9
135.08165	0.6
137.02483	0.5
137.06071	0.6
139.07567	0.6
145.10176	0.6
149.04558	4.3
149.05972	1.1
150.06746	0.7
151.04013	5.4
161.02443	33.2
161.04396	2.8
161.09662	1.1
161.13335	1.4
162.02924	1.9
163.07620	0.5
163.11287	2.6
165.05544	0.9
173.04483	0.9
173.22725	0.5
176.04779	20.0
177.05219	0.9
179.03491	59.2
179.14345	1.0
180.03978	4.0
187.11273	2.3
189.09109	1.1
191.05551	2.3
191.07144	9.0
192.07509	0.7
194.05832	59.6
195.06551	5.8
203.05673	3.2
203.10764	1.0
205.12318	8.6
205.14093	0.8
206.12642	0.8
207.10252	35.1
208.10625	2.8
209.08179	100.0
210.08534	5.6
223.13380	18.1
224.13690	1.2
229.12381	1.1
231.10182	3.7
247.13306	1.1
249.11368	6.8
267.12363	8.4
268.12494	1.1
271.13382	1.0
273.11212	2.0
289.14600	0.6
291.12439	2.9
309.13327	1.2
315.12210	1.3
333.13400	4.2
334.95648	0.6
347.95560	0.6
351.14465	1.6
393.15518	1.7
399.16577	1.2
411.16568	19.4
412.16983	2.0
438.35815	0.5
449.14117	1.5
505.32953	0.6
543.20782	8.0
544.21448	1.5
621.25739	7.2
622.25800	1.3
630.11548	0.6
753.29712	25.8
754.29724	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	753.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
57.73771	0.1
59.01378	1.6
60.99304	1.4
61.59610	0.1
65.03942	0.2
67.01891	4.6
69.03458	1.1
71.01384	1.7
71.54773	0.2
72.99281	0.1
73.02934	0.2
81.03441	0.9
83.05026	0.6
83.93148	0.1
85.02953	4.5
87.00330	0.3
87.00874	6.4
87.59280	0.1
89.03967	0.2
93.03459	30.6
94.03294	0.1
94.03824	0.9
99.00890	0.6
99.04526	0.5
101.02472	0.3
109.02944	0.7
111.04517	4.4
113.02431	0.7
115.03999	0.3
117.03464	0.9
122.49774	0.1
125.02428	0.1
126.91979	0.1
127.04041	1.2
129.01945	0.9
134.03749	10.8
135.04077	0.3
137.02457	0.8
143.03508	0.4
149.06041	0.7
153.01959	0.2
155.03496	1.3
160.01622	0.3
171.02983	0.2
173.04550	19.1
174.04980	0.7
175.04005	0.6
178.02682	0.3
191.05615	100.0
192.05959	3.8
193.05052	7.2
194.05415	0.3
367.10318	43.1
368.10669	3.7
387.14267	0.1
389.18344	0.2
466.24292	0.2
635.86975	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.513
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58509	2.3
58.59974	2.2
59.01376	25.0
61.68016	2.4
61.98800	3.4
68.32842	2.1
70.08960	5.2
70.09352	5.0
71.01378	14.4
84.21176	2.5
89.02447	18.5
98.20017	2.9
101.02436	9.9
110.52515	2.3
113.02415	5.6
119.03484	9.4
129.74309	2.5
179.05524	4.7
181.04845	2.3
225.22154	5.6
271.22745	3.6
279.23175	2.7
369.50476	3.0
532.47266	16.9
550.48383	5.0
712.53711	100.0
713.54089	27.6
748.51166	37.1
749.51337	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	751.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69058	0.2
59.01380	1.1
61.98835	1.4
69.50549	1.8
71.01378	0.9
72.99307	2.6
75.00870	100.0
76.01211	1.0
85.02919	0.3
85.22858	0.2
87.00874	0.2
89.02445	1.1
98.35905	0.2
101.02442	1.0
106.12875	0.2
113.02434	0.5
119.03468	0.3
125.02427	0.3
129.76541	0.2
171.10419	0.2
174.31061	0.3
225.11292	0.3
235.08121	0.5
277.21677	2.5
278.22073	0.4
305.08652	0.3
366.45593	0.3
397.13455	6.5
398.13916	0.6
415.14520	1.9
688.51508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11788	1.0
59.01378	100.0
60.01715	0.9
60.88665	0.8
61.98813	1.9
62.61111	0.8
84.61398	0.8
94.62287	0.9
128.58911	1.1
224.07390	0.9
410.17264	1.3
455.17276	4.5
473.18542	5.1
496.13864	2.5
511.15378	1.6
512.13123	9.2
513.13782	3.4
526.14899	12.4
527.15326	5.3
569.17371	1.8
599.17902	1.4
600.18237	1.4
601.19489	4.0
602.19189	1.4
613.19006	1.6
614.20135	83.1
615.20367	24.4
632.17944	1.9
646.19067	10.2
647.19647	3.7
651.40900	1.1
687.23236	6.2
688.22876	2.3
747.25134	69.9
748.25385	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	747.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.8
61.98826	8.4
65.00545	1.0
69.03452	1.8
71.01375	4.4
71.54827	1.0
71.55257	1.9
73.02935	1.8
83.77753	1.0
84.94139	1.0
85.02940	3.7
88.98811	1.6
89.02450	1.3
93.03454	17.7
96.96015	6.2
101.02427	3.6
103.70649	1.1
105.03445	5.2
107.04989	2.4
109.02959	6.6
111.00842	1.8
111.04528	11.4
113.02452	1.8
117.03421	1.7
121.02957	1.8
123.04520	1.6
123.72521	1.1
132.02177	2.0
133.02957	29.6
134.03780	6.0
135.04527	100.0
136.04829	4.3
137.02431	9.4
137.51042	1.2
145.02966	1.9
146.03722	2.4
150.03220	2.0
151.03944	1.7
155.03496	8.7
159.04459	4.7
160.01678	2.0
160.19302	1.2
161.02443	54.0
161.06058	4.8
161.13324	1.4
163.03876	2.2
165.05481	1.6
167.30504	1.5
170.71510	1.2
173.04588	2.6
175.03976	2.3
177.01924	3.8
178.02562	1.7
179.03497	66.5
180.03831	3.0
185.06081	3.4
187.11243	1.7
189.05537	3.5
191.05618	5.6
193.06462	1.5
197.09845	1.3
203.03406	2.1
209.06036	2.7
210.06824	1.7
211.07635	35.2
212.07974	3.3
213.05602	1.4
223.13403	8.3
224.13670	1.9
227.61723	1.1
229.08661	4.3
245.13799	1.7
251.12865	4.8
255.06638	22.9
256.06918	1.9
267.12314	5.4
273.07645	8.7
274.07944	1.4
299.05322	2.2
317.06628	13.0
318.06955	1.5
323.07535	8.1
335.07632	4.6
338.41034	1.1
341.08722	5.6
365.35864	1.4
405.15494	1.5
423.16605	13.1
424.17050	1.3
435.12695	2.5
479.12036	2.8
497.13245	1.1
504.87082	1.3
523.19867	1.3
525.17188	3.3
567.18542	3.2
585.19720	67.4
586.19910	14.4
639.85925	1.5
687.23193	1.9
709.39996	1.4
747.24963	59.4
748.25262	15.1
764.19666	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
55.04562	0.9
57.03448	3.4
58.00587	4.3
58.94183	1.0
59.01384	95.6
60.99303	1.1
61.98837	9.9
66.25002	1.1
71.01387	78.4
72.99315	7.6
73.02959	2.9
83.01403	2.8
85.02956	23.0
86.03274	1.2
87.00881	6.6
89.02451	100.0
90.02795	1.6
93.03474	4.2
95.01384	7.0
96.96015	5.0
98.19948	2.7
101.02447	38.3
108.02194	1.7
109.02946	2.3
111.00907	2.0
113.02460	28.1
117.03454	2.4
119.03516	38.3
121.02972	8.3
122.03760	9.6
123.00891	2.1
123.04542	3.7
125.02483	5.9
129.01953	4.1
131.03523	5.1
133.02997	2.2
134.03703	2.5
135.04524	2.2
136.01677	20.7
137.02469	6.1
139.00375	1.2
143.03535	8.9
145.02971	10.9
146.03702	2.4
147.04504	1.1
149.02435	15.1
149.04568	4.2
150.03236	55.8
151.00389	5.4
151.04022	21.5
152.01140	1.7
153.01979	1.3
159.04456	1.4
161.02492	8.8
161.04594	9.9
161.05960	1.8
162.03244	42.5
163.03943	3.6
164.04805	1.8
165.01973	1.6
165.05586	65.4
166.02737	18.0
166.05791	2.2
167.03484	4.0
173.04622	1.2
175.03902	1.8
177.01967	2.0
177.05579	31.8
178.05972	2.1
179.03502	1.8
179.05624	23.7
179.07169	1.6
180.04341	6.1
181.05074	18.3
189.05539	1.9
190.06361	1.5
191.01921	1.6
191.05617	2.3
192.04283	1.2
193.05070	2.2
195.06628	67.9
196.06984	2.4
197.04558	2.3
205.05020	1.5
206.05913	1.4
207.06458	2.1
228.13666	1.2
266.28711	1.3
315.12735	1.2
326.38971	1.3
341.09091	1.1
357.09344	2.5
357.13901	6.1
372.12305	4.6
373.12695	1.3
387.14560	27.5
388.15060	2.7
403.14185	1.4
480.27078	1.2
535.19928	8.9
536.19849	1.3
547.19714	11.2
548.20068	2.8
583.21704	16.6
584.22284	2.7
589.98596	1.2
625.17651	1.2
745.25482	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	745.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.6
59.01376	4.3
61.98827	3.6
68.23327	0.5
69.03481	0.7
71.01390	3.0
71.54622	0.7
71.81851	0.6
73.02962	1.3
76.59100	0.5
83.01386	0.8
83.05035	0.7
85.02944	3.0
89.02456	2.5
93.03461	6.3
95.01392	0.7
96.96017	2.9
101.02460	1.6
102.52602	0.6
105.09825	0.6
108.02203	1.2
109.02967	1.4
113.02488	0.7
113.13101	0.5
119.03514	0.8
119.04955	0.6
120.01258	3.1
121.02946	12.5
122.03745	17.3
123.00911	1.1
123.04519	1.6
124.01694	1.4
125.02439	1.7
132.02159	1.1
132.42923	0.6
133.02994	2.9
134.03726	1.9
135.04524	9.2
136.01659	21.5
136.05022	0.6
137.02467	4.7
139.04079	0.7
145.02968	0.9
147.04480	1.3
149.02435	28.2
149.06120	0.9
150.03220	97.0
151.00383	4.6
151.04022	24.7
152.01128	1.4
152.04654	0.9
154.02719	1.0
159.04466	0.5
160.05316	1.6
161.02490	1.0
161.06068	1.9
162.03203	1.8
163.04059	3.1
164.04779	7.1
165.05560	100.0
166.02701	16.9
166.05872	5.8
167.03499	3.7
172.05307	2.0
173.04561	1.1
175.04002	5.0
175.07683	1.1
177.01959	1.3
177.04060	0.6
177.05533	2.3
178.48326	0.6
179.03485	1.0
180.04266	5.7
181.05057	19.9
187.07620	0.7
188.04858	0.6
189.05592	2.8
189.68713	0.5
190.06349	6.3
191.03738	1.1
191.05571	8.1
191.07109	1.0
195.06613	64.5
196.06926	3.5
205.04922	0.9
205.08673	1.6
207.06577	0.6
219.06761	0.7
221.08224	0.8
231.97304	0.7
266.05817	1.2
279.26505	0.7
282.05267	1.9
297.07748	0.9
309.07474	1.5
311.09232	0.6
314.07880	1.2
315.08667	2.4
326.11545	0.9
327.12418	1.0
329.10376	3.2
342.11240	1.2
354.10727	1.0
355.11768	1.0
356.12494	2.3
357.09595	5.3
357.13403	9.2
358.13638	0.7
369.13425	1.1
372.12051	4.4
373.12570	2.2
385.12799	1.2
386.13712	2.2
387.14484	49.2
388.14859	6.9
488.14395	0.7
490.16269	1.7
497.20331	0.7
505.18915	3.1
520.17072	1.0
535.19702	59.2
536.12006	0.8
536.20074	12.0
553.20343	2.5
565.20551	4.3
566.20361	0.6
583.21820	50.2
584.22198	9.9
587.36273	0.6
745.23108	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.6
59.01376	4.3
61.98827	3.6
68.23327	0.5
69.03481	0.7
71.01390	3.0
71.54622	0.7
71.81851	0.6
73.02962	1.3
76.59100	0.5
83.01386	0.8
83.05035	0.7
85.02944	3.0
89.02456	2.5
93.03461	6.3
95.01392	0.7
96.96017	2.9
101.02460	1.6
102.52602	0.6
105.09825	0.6
108.02203	1.2
109.02967	1.4
113.02488	0.7
113.13101	0.5
119.03514	0.8
119.04955	0.6
120.01258	3.1
121.02946	12.5
122.03745	17.3
123.00911	1.1
123.04519	1.6
124.01694	1.4
125.02439	1.7
132.02159	1.1
132.42923	0.6
133.02994	2.9
134.03726	1.9
135.04524	9.2
136.01659	21.5
136.05022	0.6
137.02467	4.7
139.04079	0.7
145.02968	0.9
147.04480	1.3
149.02435	28.2
149.06120	0.9
150.03220	97.0
151.00383	4.6
151.04022	24.7
152.01128	1.4
152.04654	0.9
154.02719	1.0
159.04466	0.5
160.05316	1.6
161.02490	1.0
161.06068	1.9
162.03203	1.8
163.04059	3.1
164.04779	7.1
165.05560	100.0
166.02701	16.9
166.05872	5.8
167.03499	3.7
172.05307	2.0
173.04561	1.1
175.04002	5.0
175.07683	1.1
177.01959	1.3
177.04060	0.6
177.05533	2.3
178.48326	0.6
179.03485	1.0
180.04266	5.7
181.05057	19.9
187.07620	0.7
188.04858	0.6
189.05592	2.8
189.68713	0.5
190.06349	6.3
191.03738	1.1
191.05571	8.1
191.07109	1.0
195.06613	64.5
196.06926	3.5
205.04922	0.9
205.08673	1.6
207.06577	0.6
219.06761	0.7
221.08224	0.8
231.97304	0.7
266.05817	1.2
279.26505	0.7
282.05267	1.9
297.07748	0.9
309.07474	1.5
311.09232	0.6
314.07880	1.2
315.08667	2.4
326.11545	0.9
327.12418	1.0
329.10376	3.2
342.11240	1.2
354.10727	1.0
355.11768	1.0
356.12494	2.3
357.09595	5.3
357.13403	9.2
358.13638	0.7
369.13425	1.1
372.12051	4.4
373.12570	2.2
385.12799	1.2
386.13712	2.2
387.14484	49.2
388.14859	6.9
488.14395	0.7
490.16269	1.7
497.20331	0.7
505.18915	3.1
520.17072	1.0
535.19702	59.2
536.12006	0.8
536.20074	12.0
553.20343	2.5
565.20551	4.3
566.20361	0.6
583.21820	50.2
584.22198	9.9
587.36273	0.6
745.23108	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
58.00602	1.8
59.01377	57.3
61.98840	4.0
71.01379	40.9
71.09525	0.8
71.09868	1.2
72.01762	0.7
72.99313	3.3
73.02937	2.4
81.52370	0.7
83.01390	2.2
85.02950	8.5
87.00868	2.9
89.02443	44.3
93.03458	4.4
95.01384	2.8
96.95997	1.3
101.02444	18.1
109.02962	0.8
113.02444	14.7
119.03511	17.9
121.02914	3.7
122.03729	10.1
123.04583	1.0
125.02446	1.6
131.03494	1.6
133.02969	1.2
134.90665	0.8
135.04465	2.1
136.01642	7.0
136.05255	1.1
137.02434	2.0
143.03505	3.1
149.02446	13.1
149.04532	2.3
149.05962	0.7
150.03223	71.0
151.00401	1.1
151.04027	7.0
161.02483	1.9
161.04515	4.5
162.03229	1.8
163.03975	0.8
164.04770	3.1
165.05560	82.4
166.02716	3.8
166.05907	3.6
167.07137	2.6
173.04601	0.7
175.03995	1.8
177.05550	1.8
179.03398	0.8
179.04047	1.2
179.05617	11.6
180.04318	6.1
181.05084	5.4
189.05569	1.1
190.06293	1.1
191.05576	7.4
192.04344	0.9
195.06613	100.0
196.06911	6.2
207.10338	0.8
209.11754	0.9
259.43185	0.8
327.12207	1.5
328.12701	1.0
338.10062	0.8
339.12610	0.9
357.09729	2.1
372.12015	2.4
385.09320	5.2
387.14474	15.7
388.14832	1.8
453.21503	0.8
468.92001	0.8
496.33585	0.9
497.34387	1.2
518.04822	0.8
527.67242	0.9
535.19861	6.9
536.19965	1.6
539.26556	0.8
547.14453	6.2
548.14386	1.3
583.22064	3.6
584.22235	1.6
745.27673	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64096	0.4
61.98830	6.2
63.82939	0.4
65.03980	0.4
69.03421	0.5
71.01382	0.5
81.03438	0.5
83.01376	1.6
85.02944	0.7
93.03466	1.3
95.01385	1.6
97.02934	0.7
98.19769	1.0
105.07100	0.5
107.05050	0.5
108.02167	1.2
109.02956	10.2
116.92859	0.7
119.04962	0.4
121.02939	2.8
122.03740	0.6
123.00835	2.0
123.04523	1.9
124.01670	0.6
125.02440	4.1
125.44710	0.5
131.05022	0.8
133.06604	0.8
134.03735	0.5
135.04495	2.6
136.01662	27.6
137.02457	22.8
138.02788	1.0
143.05037	0.6
145.02893	0.7
146.03711	0.7
147.04497	1.0
149.02454	1.3
149.06059	0.4
149.99579	0.5
150.03253	0.7
151.04012	22.8
152.04347	0.8
153.01941	0.5
158.03645	0.7
159.04489	3.3
160.05199	1.2
161.02422	1.4
161.06088	1.4
162.03197	0.8
163.04034	1.4
173.02415	0.5
175.04004	2.3
176.04752	0.6
177.01892	1.1
177.05537	1.3
179.03412	0.8
187.03990	7.2
188.04462	0.8
189.05531	2.0
191.05611	0.6
191.07162	0.6
192.04373	0.7
201.11377	0.7
202.02921	0.4
203.03537	1.2
205.05051	1.9
209.11778	0.5
217.05040	0.8
218.05757	1.7
233.08177	1.5
239.07176	0.7
265.04630	0.4
267.06268	0.6
297.11343	0.6
341.06512	1.0
341.10477	0.7
343.11841	20.1
344.12225	2.0
355.08185	1.8
356.09052	1.2
357.09650	0.9
371.11331	100.0
372.11703	10.0
373.13022	2.2
385.13071	0.7
493.25653	0.4
538.80200	0.6
546.26599	0.5
595.99597	0.6
697.22833	3.3
698.23132	1.0
715.24255	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	745.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68127	0.8
59.01395	1.9
60.56087	1.0
61.98830	17.8
69.03469	1.2
70.66351	1.8
75.79051	0.8
93.03461	2.2
95.01369	1.9
97.02966	0.9
102.63723	0.8
108.02164	1.8
109.02943	12.6
116.92866	1.5
121.02989	2.5
123.00879	3.8
123.04530	2.0
124.01666	1.7
125.02445	4.6
131.05084	1.1
133.06604	1.4
135.04539	3.2
136.01662	25.9
137.02437	28.0
140.01198	1.2
149.02373	1.9
151.04008	23.5
152.04297	1.3
159.04529	3.5
159.26984	0.8
160.05292	1.2
161.02394	1.8
161.06009	1.6
162.34612	0.9
163.04001	1.3
175.03972	3.1
177.01869	1.5
177.05602	2.4
187.04036	7.1
189.05592	1.3
190.02725	0.9
191.05566	1.2
192.57796	1.0
203.03456	1.1
205.05035	1.8
218.05858	2.3
233.08205	2.2
234.04161	0.9
304.00607	1.0
313.07077	1.1
343.11850	15.9
344.12051	1.6
355.08112	2.2
356.08926	1.1
371.11337	100.0
372.11755	11.4
373.12903	4.4
475.99884	0.8
641.39496	0.9
697.23065	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	745.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.5
61.98820	6.3
68.99829	2.8
71.01360	1.8
78.95875	1.7
85.02932	2.5
86.24409	1.7
93.03432	5.3
95.01381	13.5
105.03435	1.7
107.05067	3.7
108.02172	5.8
109.02953	18.4
111.00838	4.9
116.92888	1.8
117.03412	2.1
121.02972	14.4
122.03737	5.6
123.00893	54.0
123.04529	6.9
124.01660	12.9
133.02980	4.5
134.03564	1.6
135.04544	9.9
136.01665	78.9
137.02472	44.4
138.03038	3.4
147.04533	3.8
149.02428	4.1
149.06075	1.6
150.03242	2.4
151.04004	78.0
152.04338	3.7
159.04483	5.2
160.05148	2.6
161.02435	7.6
161.06065	3.5
162.03226	14.3
163.04021	33.9
164.04408	2.4
175.04073	8.9
176.04765	2.4
177.01897	5.5
177.05559	12.2
179.03508	12.8
187.03970	3.4
189.05571	2.2
191.07091	3.2
193.05070	5.7
205.05060	3.8
241.01384	2.3
245.00883	1.8
256.07388	1.9
271.02344	3.7
272.02612	2.5
280.49518	1.7
281.08377	1.9
299.01935	5.3
299.88959	1.7
300.02325	3.3
341.10239	10.5
342.11053	47.7
343.11798	71.8
344.12115	7.0
357.09933	4.9
371.11337	100.0
372.11835	11.3
373.12820	12.6
385.12958	12.9
401.12399	5.2
445.07684	6.8
446.08398	2.9
466.12674	10.8
562.20026	2.1
709.27356	2.6
715.23981	59.5
716.24402	12.6
745.25281	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	743.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.5
59.01378	43.0
61.98827	5.8
62.61940	0.8
69.03465	1.2
71.01376	8.6
72.02153	5.7
73.02963	2.4
77.34121	0.8
83.01396	0.7
83.05036	3.3
85.02942	3.8
87.04503	10.0
89.02463	1.0
93.03449	6.1
98.03737	2.9
98.20758	1.3
99.04522	1.4
101.02447	3.4
111.08176	2.5
113.02441	2.7
117.03424	1.5
119.05020	14.8
121.03050	1.1
123.08156	1.1
125.02470	1.1
134.03763	7.6
135.04097	2.2
136.04294	0.9
139.11269	1.7
143.05035	3.1
145.06612	0.9
149.06071	0.9
149.09677	0.8
151.11298	1.7
159.02881	0.9
161.04568	2.2
163.03986	7.2
165.12822	4.1
167.14430	3.4
173.04518	1.4
187.11264	0.9
191.05678	2.0
193.05020	8.6
194.05330	3.7
195.13895	2.4
197.15451	15.9
209.06059	1.5
211.07657	1.1
211.17073	2.0
221.15456	3.6
233.06671	2.5
237.09200	7.7
238.09717	1.0
239.10878	2.5
239.16507	100.0
240.16817	7.6
241.14415	8.0
245.09222	1.5
265.08667	3.5
269.10391	4.4
283.09842	15.0
283.15482	40.1
284.09970	2.1
284.15814	3.0
309.07788	1.1
311.11359	3.6
326.09796	1.0
327.05286	4.0
327.08688	88.5
328.09055	9.5
357.06021	1.0
387.20181	1.9
447.09183	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	743.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	4.6
61.98832	24.4
71.01575	2.8
71.01895	3.7
83.01379	10.0
93.03450	4.5
95.01364	3.0
97.02941	3.7
103.85197	2.4
109.02943	9.0
114.24458	2.4
116.92857	3.4
121.02943	5.7
123.00839	3.5
136.01651	4.6
137.02438	77.1
139.03932	3.2
146.03699	2.4
147.04482	5.6
149.02441	19.9
151.04002	2.9
159.04503	3.9
163.03915	3.0
164.01038	2.2
164.04752	7.5
165.01842	3.1
169.12350	2.3
171.04550	2.3
171.10162	3.4
173.06090	2.5
175.03998	10.9
176.01187	6.0
177.01901	3.5
179.03430	2.7
187.03969	6.4
189.01871	11.0
190.02661	6.8
191.03496	14.1
191.05270	2.0
203.03461	4.1
217.01395	2.7
227.03439	3.0
229.04985	3.4
242.02170	5.4
243.02902	3.4
255.23503	2.7
285.30206	2.6
343.11920	5.2
371.11240	21.1
371.15103	5.9
447.14105	2.8
463.13962	6.7
465.15417	7.5
481.15030	16.5
482.14905	3.1
491.13345	17.0
492.13675	3.1
508.13324	4.4
509.14499	100.0
510.14621	14.4
631.11676	2.5
674.20068	12.8
715.27643	6.3
743.27209	42.8
743.41217	7.2
744.26984	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	743.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66200	1.2
59.01381	4.4
61.98833	14.7
69.03447	1.8
69.92481	3.1
69.92891	4.6
75.06877	1.1
83.01373	8.5
93.03453	3.0
95.01374	2.7
95.04968	1.5
97.02948	2.8
98.20123	3.2
98.20705	1.7
107.05026	2.7
108.02155	2.7
109.02947	11.9
111.00880	1.6
119.05042	2.3
121.02976	7.5
123.00860	10.9
123.04499	3.4
123.37344	1.3
125.02425	2.3
134.03752	1.7
135.04523	2.6
136.01663	12.9
137.02449	57.3
138.02884	1.5
139.00375	1.8
139.03992	2.5
145.02943	1.8
147.04497	5.6
149.02448	19.1
151.04030	13.5
158.03773	1.4
159.04512	2.7
161.02414	5.3
161.06073	1.6
162.03198	4.2
163.00337	1.4
163.04031	6.8
164.04742	5.0
165.01917	2.0
173.02400	2.4
174.03145	2.5
175.03990	7.9
176.01152	7.6
177.01945	5.7
177.05554	6.2
179.03575	1.8
187.03993	4.9
189.01917	7.9
189.05582	2.8
190.02689	3.3
191.03488	15.3
193.05008	2.0
199.04047	2.3
201.01970	1.7
201.05591	2.1
203.03514	2.9
205.05338	2.1
214.02803	2.2
217.01379	2.2
219.03050	2.8
225.05574	1.8
231.02985	2.3
242.02110	4.3
243.02867	2.5
253.08932	2.0
269.04462	1.5
274.62851	1.4
277.21954	1.9
341.10339	1.8
343.12079	2.0
355.08148	10.0
356.12589	3.3
357.13440	6.4
371.11346	14.6
371.15131	3.5
372.11707	2.3
411.14590	1.5
439.14090	1.4
447.14319	3.1
463.13974	4.8
465.15668	8.8
480.14377	2.5
481.14999	12.7
482.15134	2.0
491.13293	15.4
492.13968	5.0
509.14505	100.0
510.14835	12.8
555.37482	1.5
656.18842	1.9
674.20129	8.3
675.19196	1.8
713.22583	4.0
715.27362	3.6
725.26025	2.7
743.27142	37.9
744.27325	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	743.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34098	0.3
59.01373	0.4
61.98829	1.6
64.90314	0.3
65.03955	0.7
67.01894	0.5
69.03455	2.7
70.38626	0.6
70.39007	0.9
71.01369	0.4
81.03451	0.5
83.01404	1.5
84.02177	0.6
88.93800	0.3
93.03466	1.8
95.01384	2.0
95.05064	0.3
97.02954	0.4
98.04586	0.3
107.05051	0.6
108.02168	1.0
109.02953	11.9
110.03294	0.6
111.00893	0.4
116.92861	1.1
119.05020	0.7
121.02961	5.7
122.03745	1.7
123.00908	1.8
123.04530	5.2
124.01665	0.7
124.04874	0.3
125.02457	3.1
125.37856	0.3
130.04240	0.3
131.05023	1.0
133.06613	0.9
135.04538	1.6
136.01654	4.5
137.02449	18.5
138.02789	0.9
143.04985	0.9
145.02943	1.4
146.03729	0.8
147.04475	2.2
149.02432	1.6
149.06067	0.4
149.99576	0.4
151.04056	1.5
158.03706	1.2
159.04526	3.6
160.05144	0.5
161.02452	0.8
161.06078	1.2
162.03146	0.3
163.03998	1.3
171.04506	0.9
173.02312	0.4
173.06090	0.8
174.03204	0.5
175.04001	4.2
176.04784	10.7
177.01874	0.8
177.05484	1.5
179.03465	0.5
187.04010	7.0
188.04523	0.5
189.05544	1.5
190.02704	0.7
190.06348	0.7
192.04282	0.6
193.27422	0.3
203.03519	1.6
204.04179	0.4
205.05016	1.7
217.05077	0.4
218.05827	1.8
224.24181	0.3
233.08214	1.7
236.63986	0.3
253.08821	0.5
263.07156	0.8
264.07932	0.8
265.05042	0.4
265.08636	0.6
280.07477	0.3
281.08148	0.4
292.07385	0.5
293.04984	0.4
293.08231	1.3
294.08859	0.3
295.09677	0.3
310.08643	0.4
311.09198	1.1
313.06940	0.4
327.12250	0.6
341.10306	24.1
342.10580	2.6
343.11694	2.4
353.10211	0.6
355.08279	1.0
356.08878	1.2
371.11340	100.0
372.11682	11.9
373.12814	2.1
695.21478	1.9
713.21771	1.6
714.22754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	3.2
65.03963	0.6
67.01876	0.7
69.03120	0.3
69.03457	2.9
70.93297	0.2
71.01373	0.3
79.05521	0.3
83.01395	1.3
84.02154	0.6
87.23233	0.2
91.76201	0.2
93.03463	1.8
95.01391	1.7
95.05040	0.3
98.20644	0.7
105.03515	0.2
107.05068	0.4
108.02164	0.8
109.02950	10.9
110.03310	0.3
111.00846	0.3
113.67731	0.2
115.05517	0.4
115.98674	0.3
116.92905	0.3
117.03463	0.5
119.05035	1.0
121.02956	6.1
121.06633	0.3
122.03867	1.2
123.00865	1.7
123.04531	4.0
124.01667	0.9
125.02448	3.6
130.04202	0.3
131.05023	0.8
133.02982	0.4
133.06613	1.2
135.04489	1.3
136.01656	3.8
137.02441	20.1
138.02888	0.5
139.00391	0.5
143.05019	0.6
145.02982	1.3
146.03717	0.8
147.04536	2.2
149.02409	1.9
149.06038	0.5
150.03163	0.3
151.04004	1.7
153.01924	0.3
154.02776	0.2
158.03694	0.8
159.04532	3.2
160.05121	0.5
161.02429	0.9
161.06062	1.3
162.03152	0.3
163.03973	0.7
165.01897	0.5
165.05583	0.5
171.04553	0.5
173.06075	0.7
174.03142	0.6
175.04012	4.3
176.04781	9.9
177.01878	0.9
177.05498	1.1
179.03511	0.5
186.03186	0.2
187.04001	6.7
188.04456	0.3
189.05585	1.8
190.02724	0.7
190.06367	0.7
202.02701	0.3
203.03532	1.9
204.04160	0.4
205.05054	2.3
205.08485	0.2
207.06516	0.3
217.04991	0.6
218.05795	1.6
219.06326	0.4
220.03783	0.3
220.07231	0.3
233.08162	1.5
234.08466	0.3
239.07083	0.4
251.07224	0.3
253.08745	0.7
263.07129	0.9
264.07837	0.8
265.08707	0.6
267.06708	0.4
269.08261	0.3
275.59329	0.2
279.06781	0.3
281.08188	0.4
293.08249	1.1
295.09521	0.3
309.07724	0.3
311.09100	1.4
323.09207	0.6
325.10919	0.3
327.08713	0.5
327.12369	0.6
341.06741	1.2
341.10275	23.7
342.10516	2.4
343.11768	1.9
353.10306	0.4
355.08154	1.0
356.09070	0.9
371.11328	100.0
372.11673	11.6
373.12915	2.2
374.13318	0.3
576.57330	0.3
695.21051	1.8
696.21393	0.4
713.22095	1.8
714.22321	0.6
716.34802	0.3
748.28333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	14.7
63.99251	2.4
64.29611	0.3
65.03960	0.8
66.89914	0.3
67.01888	0.7
69.03465	2.3
71.01403	0.4
72.46058	0.3
83.01383	1.0
84.02175	0.6
87.29745	0.3
91.01854	0.3
91.56731	0.3
93.03470	1.6
95.01385	2.3
98.20770	0.6
107.05016	0.5
108.02145	0.8
109.02948	11.4
116.05872	0.3
116.92898	0.4
119.05025	0.8
121.02956	5.9
122.03742	0.9
123.00879	3.3
123.04518	4.1
124.01635	0.7
124.04797	0.4
125.02440	4.0
131.04976	1.2
133.06575	0.9
135.04541	1.7
136.01668	4.0
137.02448	18.3
138.02763	0.5
143.05023	1.1
145.02939	1.2
146.03653	0.8
147.04497	2.0
147.26918	0.4
149.02452	1.7
151.00432	0.5
151.03972	2.2
153.63272	0.4
158.03709	1.3
159.04494	4.0
160.05182	0.7
161.02415	0.7
161.06050	1.4
162.03177	0.4
163.03990	0.7
171.04431	0.5
173.02481	0.3
173.06096	0.5
174.03192	0.6
175.03978	4.0
176.04774	10.1
177.01883	1.2
177.05426	1.5
187.04012	6.7
188.04604	0.4
189.05547	1.4
190.02757	0.8
190.06358	0.8
192.04112	0.4
203.03488	1.9
204.95171	0.3
205.05060	2.4
217.05075	0.6
218.05751	1.8
233.05966	0.4
233.08185	1.3
246.69160	0.4
253.08839	0.7
253.71518	0.4
254.09529	0.4
263.07190	0.8
264.07907	0.7
265.08615	0.9
267.06421	0.4
292.07410	0.6
293.08118	1.4
311.09274	1.2
313.07156	0.6
327.08643	0.4
327.12274	0.5
341.06741	0.9
341.10269	23.0
342.10739	2.3
343.11743	1.6
344.12100	0.4
349.99374	0.4
353.10443	0.7
355.08112	1.0
356.09052	1.3
371.11322	100.0
372.11682	12.0
373.12823	2.1
541.63306	0.4
695.21008	1.7
696.21777	0.6
713.22363	1.3
743.22101	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	743.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84987	0.2
54.46938	0.2
58.44927	0.2
59.01398	0.2
61.98827	7.5
63.99242	0.7
65.03960	0.3
67.01881	0.6
69.03454	2.3
69.13618	0.2
71.01381	0.5
71.29414	0.3
81.03471	0.3
82.00607	0.3
82.31794	0.2
83.01385	1.3
84.02159	0.6
93.03468	1.6
95.01395	1.9
95.05004	0.3
97.02979	0.3
100.49397	0.2
107.05011	0.4
108.02163	0.5
109.02951	13.4
109.07314	0.2
110.03294	0.5
115.05532	0.7
116.92846	0.3
117.03465	0.4
117.07191	0.2
119.04996	1.0
121.02960	6.0
122.03761	1.3
123.00862	2.0
123.04524	5.0
123.33862	0.3
124.01669	1.2
125.02448	3.7
130.04282	0.5
131.05017	1.1
133.06563	1.1
135.04512	1.5
136.01663	4.3
137.02443	21.3
138.02809	0.4
139.03947	0.4
143.05006	1.0
145.02962	1.1
146.03677	0.8
147.04509	1.9
149.02444	2.2
149.06085	0.9
149.99561	0.4
151.00352	0.4
151.03978	1.3
153.01901	0.4
154.02675	0.3
158.03777	1.2
159.04517	3.4
160.05275	0.5
161.02463	1.3
161.06088	2.0
162.03133	0.4
163.03937	0.7
164.01060	0.3
164.04738	0.3
171.04555	0.6
171.10294	0.3
173.02423	0.4
173.06039	0.7
174.03192	0.6
175.03993	4.3
176.04773	10.6
177.01910	0.9
177.05482	1.4
186.03276	0.4
187.04004	7.9
188.04518	0.5
189.05576	1.9
190.02742	0.8
190.06291	0.5
191.03337	0.3
191.07112	0.3
192.04242	0.8
201.05568	0.4
202.02635	0.3
203.03496	1.6
204.04089	0.4
205.05075	1.9
211.07700	0.4
217.04922	0.3
218.05841	2.1
219.06288	0.3
220.03886	0.2
233.08160	1.4
239.06992	0.4
252.07852	0.3
253.08670	0.7
258.54611	0.2
263.07028	0.7
264.07813	0.7
265.08609	0.9
267.06729	0.3
279.06827	0.4
280.07300	0.3
281.08270	0.5
282.09076	0.4
292.07303	0.6
293.08145	1.1
303.86404	0.3
311.09317	1.7
313.07245	0.3
323.09195	0.3
325.10764	0.3
327.08667	0.7
327.12396	0.6
340.09070	0.3
341.06876	0.9
341.10275	25.1
342.10684	3.3
343.11880	1.8
344.11996	0.3
353.10159	0.6
355.08115	1.4
356.09009	1.1
371.11325	100.0
372.11658	11.8
373.12866	2.4
495.42538	0.2
535.54199	0.2
687.54926	0.3
695.21185	1.6
696.22113	0.5
713.22363	1.5
714.22821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
61.98815	4.7
65.03960	0.7
67.01899	0.7
69.03451	2.7
71.53984	1.2
83.01366	1.0
91.73437	0.6
93.03473	1.3
95.01413	1.5
101.93099	0.6
109.02950	12.1
116.92852	1.9
119.04955	0.9
121.02937	5.0
122.03727	1.1
123.00903	2.1
123.04526	5.1
124.01718	0.9
125.02435	5.7
131.05045	0.7
135.04549	1.5
136.01660	3.3
137.02440	21.2
138.02820	0.9
143.05005	0.8
145.02930	2.2
147.04497	1.8
149.02443	2.1
149.06039	1.2
149.99510	0.9
151.03969	1.9
158.03690	1.9
159.04532	3.5
160.05281	0.9
161.02371	1.0
161.06125	1.6
165.01875	0.6
171.04501	0.6
171.10255	2.1
173.06114	0.7
175.03989	4.5
176.04767	9.7
177.01952	1.0
177.05486	1.7
187.03995	7.3
188.04561	0.8
189.05545	1.9
190.02701	0.8
191.05562	1.1
203.03500	0.6
205.05020	2.4
218.05803	2.5
233.08267	1.7
242.55887	0.6
293.08054	1.3
293.21051	0.8
311.09140	1.4
327.12238	1.1
341.06833	1.0
341.10278	29.5
342.10791	3.5
343.11896	1.9
356.08704	0.9
371.11328	100.0
372.11661	10.8
373.12973	2.8
695.21088	2.4
713.22552	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	743.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83161	0.1
52.88161	0.1
59.01381	1.6
61.98793	0.2
62.05062	0.1
69.46156	0.7
69.46555	0.3
71.01381	0.5
73.02965	0.3
79.05533	4.0
80.05847	0.2
81.03456	2.8
83.01424	0.2
85.02940	0.7
86.03333	0.2
87.00872	0.3
89.02448	1.7
93.03468	0.2
101.02445	0.4
103.02369	0.2
103.04038	0.2
104.13158	0.1
109.02936	0.2
123.04528	100.0
124.03999	0.3
124.04856	4.0
125.02454	0.3
129.01964	0.3
131.03497	0.3
134.03687	0.2
135.04532	2.1
136.04831	0.2
137.02390	0.2
143.03383	0.2
147.04503	1.2
149.04558	8.2
150.04900	0.3
152.49641	0.1
161.02403	0.4
161.04639	0.2
165.05566	0.5
167.03589	0.2
179.03502	1.8
181.01393	0.2
191.02003	0.3
191.05637	0.2
203.05580	0.4
205.03506	0.2
229.93752	0.2
267.08792	0.4
279.73868	0.2
311.07718	1.9
312.08310	0.2
327.10855	12.7
328.11209	1.2
343.06619	0.2
371.09903	0.3
372.37317	0.2
387.16638	0.2
661.18591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05534	0.4
55.01871	1.8
57.03448	14.7
59.01374	5.3
61.98820	1.8
64.78922	0.4
67.01881	0.5
68.99827	0.5
70.62384	0.4
71.01379	3.1
72.99306	0.5
73.02943	1.1
75.00877	0.9
79.97504	0.4
81.03466	0.4
83.01388	5.2
83.05039	0.8
84.02174	1.3
85.02950	100.0
86.03280	1.6
87.00869	0.7
89.00318	0.8
89.02459	0.4
91.01906	0.8
93.03454	0.6
95.05022	0.4
96.96014	0.7
97.02980	0.4
97.06614	0.8
101.02448	1.1
103.00343	0.6
106.00640	0.9
108.02182	1.0
109.02956	0.4
111.00883	12.9
121.02953	13.0
122.63326	0.4
123.00887	1.6
123.04523	1.9
124.55280	0.5
125.02448	1.3
127.00404	0.7
129.01950	50.3
130.02283	1.4
133.02925	0.6
134.03737	0.7
135.04500	0.5
137.02478	0.8
138.03241	1.1
139.00362	1.0
139.03969	1.0
139.50331	0.5
145.01419	0.6
147.02989	6.9
149.02550	0.5
149.06209	0.6
150.03232	0.8
151.03955	0.7
153.05577	8.7
154.05940	0.5
154.99779	0.7
160.01622	0.7
161.02432	1.7
163.11258	1.6
165.04181	0.4
165.05547	1.6
166.99878	0.9
167.03517	3.4
173.00916	18.5
173.02339	0.7
174.03214	1.3
175.03943	0.8
176.04784	0.5
179.03490	1.4
179.14317	0.7
180.04059	0.4
182.02255	2.2
191.01968	8.0
191.05605	1.0
193.05017	1.1
194.05771	0.7
195.06618	0.9
195.13853	4.1
197.04549	26.1
197.15472	1.5
198.04904	1.5
207.06523	0.5
209.04582	2.3
209.08200	1.1
222.05261	0.7
223.13345	3.8
229.04922	0.7
235.06064	0.7
237.07643	0.6
239.16409	0.5
241.14444	25.4
242.14735	1.8
249.07726	1.0
251.07324	0.9
263.07178	0.5
265.05167	0.4
265.07217	4.2
267.06549	2.0
277.05142	0.9
277.98782	0.5
279.06564	1.6
281.34589	0.4
282.08917	0.7
283.15491	13.7
283.18619	0.7
284.15909	0.7
289.04895	0.5
292.07233	0.4
294.05371	0.7
294.09052	0.8
297.11121	0.5
305.04559	0.7
308.06921	0.5
309.07593	0.8
310.08395	0.7
315.12546	0.5
320.06830	0.6
322.08524	0.8
323.05859	1.0
323.09225	1.9
326.07794	0.6
327.07254	5.3
335.09189	1.5
338.07861	1.8
341.05313	1.0
341.10281	3.7
353.10318	7.0
354.10596	0.6
371.06244	8.9
371.11273	1.4
372.06741	0.5
383.11212	0.7
409.13232	0.7
413.10922	1.0
415.16141	1.1
421.12903	1.3
501.14111	3.3
545.13031	1.2
563.13849	1.0
699.26794	0.6
743.26434	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97317	0.3
56.03780	0.3
59.01369	0.3
61.98816	0.4
62.71784	0.3
65.00330	0.6
77.03974	0.3
83.01395	0.4
97.02975	0.4
98.19829	0.5
99.93327	0.3
105.03474	0.4
107.01393	0.5
109.02944	2.0
119.05023	2.8
121.02950	1.3
125.02433	1.3
132.02174	0.4
133.02948	10.6
134.03355	0.5
135.04529	1.3
147.04507	0.9
148.01659	0.3
149.02467	1.5
151.00264	0.5
151.04018	0.5
161.02435	0.9
163.00313	0.9
163.03998	5.7
164.01157	0.4
164.04240	0.4
165.00710	0.3
165.01898	1.6
167.73434	0.3
173.02454	0.7
175.00380	0.3
175.03993	2.7
177.01932	0.7
179.03554	0.5
189.01976	0.3
191.03561	1.9
192.75313	0.3
193.01408	1.4
199.04013	1.0
201.01973	0.9
203.03543	0.4
211.04057	0.5
212.04724	0.4
213.05455	0.8
215.03519	0.6
217.05026	0.4
225.05582	0.7
240.04286	0.9
241.05002	0.8
253.05046	0.9
255.03017	0.8
255.06570	0.7
257.04562	0.7
267.06714	0.3
269.04617	0.7
271.06284	0.4
281.04599	0.6
284.03247	9.9
285.04013	7.9
286.04279	0.6
297.04019	15.0
298.04794	8.8
299.05576	18.6
300.05939	1.5
309.04102	1.1
311.05637	2.4
324.02847	0.5
325.03439	0.8
327.05078	93.9
328.05423	10.3
328.09119	0.7
339.05081	3.6
340.05270	0.4
341.06479	0.6
357.06140	24.3
358.06531	3.1
369.06143	2.9
393.06134	0.7
429.07587	0.4
447.09296	100.0
448.09647	14.2
448.15985	0.6
619.46484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
60.99313	0.3
61.98830	100.0
65.70082	0.2
71.01401	0.5
76.46055	0.2
83.05025	0.2
87.00887	0.3
88.00392	0.4
88.98811	1.9
89.02456	0.8
92.19592	0.1
101.02420	0.2
113.02441	0.3
161.04608	0.2
163.94070	0.2
171.10226	0.8
172.10547	0.2
191.05678	0.3
196.64052	0.2
201.11324	2.6
202.11720	0.7
209.11832	5.4
209.13811	0.3
210.12202	2.1
225.11462	0.2
227.12943	0.7
253.09366	0.8
254.09532	0.2
264.28613	0.2
277.21704	2.9
278.22055	2.9
279.22443	0.2
281.24966	0.2
293.21390	0.2
398.14047	0.2
399.14056	0.5
483.20956	0.2
621.47388	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
57.03453	10.8
59.01379	6.0
68.99826	1.1
71.01380	6.7
71.52654	0.9
71.73795	0.5
72.67365	0.5
72.99303	1.9
74.55260	0.6
75.00891	3.3
83.01386	3.4
83.46257	0.6
84.02177	2.8
84.02642	0.6
84.96297	0.6
85.02953	100.0
86.03284	2.4
86.07245	0.5
87.00903	1.4
89.02426	1.1
90.13750	0.5
93.03458	0.8
96.96004	0.9
99.00827	0.6
101.02423	1.3
102.05590	0.5
103.00376	1.8
111.00883	8.2
111.04498	0.6
115.00372	1.9
121.02966	3.2
127.03979	0.8
129.01947	9.1
133.01413	1.1
134.03732	2.2
135.04535	6.8
136.04863	1.0
139.03972	2.8
147.03003	17.9
148.03279	0.7
153.05609	2.8
161.02405	0.8
173.00929	3.8
173.04544	1.0
179.03496	6.4
191.01984	53.2
191.05595	15.0
192.02312	2.1
192.05952	1.4
193.04953	1.1
197.04529	5.0
209.03012	15.2
261.13406	0.9
269.68091	0.6
270.96481	0.8
324.26736	0.7
353.08780	11.3
354.09171	2.7
367.10468	0.8
371.06271	2.3
389.07257	37.7
390.07529	3.8
535.48187	0.6
695.32904	0.7
747.00159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.8
59.01392	1.4
61.98830	100.0
63.02397	1.6
63.42695	0.4
65.00331	1.8
70.75368	1.0
71.01382	1.3
83.01399	1.4
84.94436	0.4
85.02961	1.4
86.22435	0.4
89.02450	1.0
95.01389	0.6
97.26872	0.4
101.02458	0.4
107.01392	3.0
107.43749	0.4
108.02186	0.7
109.02987	0.6
111.00919	0.4
111.26282	0.4
121.02951	0.6
123.00867	0.6
123.04469	0.4
124.01677	3.1
125.02447	8.1
129.02060	0.4
133.02937	0.4
133.06628	0.5
137.02475	0.8
139.00398	0.4
145.03035	0.4
147.04662	0.3
151.00380	8.9
151.03915	0.4
152.01161	10.2
161.02403	1.0
163.00290	0.4
163.04082	0.4
164.01138	1.4
165.01869	0.5
167.03511	0.8
169.01546	0.6
171.04503	0.7
173.06139	0.6
175.04028	0.6
176.01221	0.4
177.01939	0.7
177.05673	0.5
178.99861	7.8
179.03528	0.5
180.00116	0.4
185.06213	0.4
187.03987	0.9
189.01979	0.9
190.02754	0.7
191.05653	0.5
192.00647	1.3
193.01443	0.7
199.03973	0.8
201.01796	0.4
202.99802	0.5
203.03386	0.5
205.01427	1.3
206.02206	0.7
213.05501	0.4
214.02774	0.9
215.03513	2.2
216.04230	1.3
217.01450	0.5
217.05074	1.1
218.02188	0.6
219.02942	0.9
227.03473	2.3
229.05145	0.5
231.03014	0.5
241.01443	1.1
241.05107	3.0
242.02237	2.1
243.02916	2.7
243.06590	0.5
244.03746	2.6
245.00871	1.8
245.04524	10.0
246.01709	0.5
246.04973	0.7
252.67732	0.4
253.05138	0.6
255.03058	2.1
255.06386	0.3
257.04608	1.1
257.08276	0.4
258.05197	2.0
259.06097	12.4
260.06458	0.7
267.06589	0.8
269.04568	1.6
270.01706	3.3
271.02475	10.6
271.05597	0.7
272.03214	3.3
272.05899	0.6
273.03760	0.8
280.07043	0.4
281.04800	0.9
283.02609	0.5
283.06216	0.8
285.07709	1.4
286.08206	0.5
287.16547	0.8
288.16785	0.6
293.08578	0.5
296.06949	0.5
298.01184	2.1
299.01947	26.4
300.02435	2.9
301.03552	0.5
308.44662	0.4
316.02234	5.7
317.02945	0.7
319.09732	0.9
323.12912	0.5
333.11438	0.6
334.11804	0.5
337.10812	0.6
341.04144	0.4
351.12363	4.3
352.12967	1.1
371.11295	0.5
419.14981	2.3
461.07236	7.7
462.07840	2.3
479.08350	1.6
480.23807	0.8
490.22452	2.9
507.23010	0.7
508.23370	31.9
509.23795	5.6
518.21887	12.3
519.21875	2.0
534.21387	0.4
536.22894	4.5
537.23340	0.8
562.20508	1.4
562.28784	0.4
563.21558	0.5
580.21704	2.0
670.28687	11.0
671.28870	3.1
698.27887	2.7
724.26276	2.2
725.26495	0.6
735.25928	0.4
742.27142	32.0
743.27521	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	741.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.3
57.78914	0.4
58.00596	0.5
59.01379	4.2
61.98830	4.4
69.03443	0.4
69.39903	2.2
71.01379	4.0
73.02953	1.3
78.95934	0.4
80.02655	0.8
81.03450	0.8
83.01424	0.6
83.05032	3.0
84.02186	0.7
85.02947	1.1
87.00890	0.9
89.02464	2.6
95.05019	0.8
101.02436	3.9
107.31440	0.3
109.04167	0.4
113.02432	1.4
119.03513	0.6
125.09712	1.4
127.11299	1.2
133.05023	0.4
139.11229	0.8
143.03494	0.6
145.05029	0.3
155.10741	0.6
161.04645	1.9
163.11263	2.7
165.09174	0.7
165.12852	1.0
171.10316	2.1
172.10689	0.6
179.05627	0.6
181.12352	0.6
183.10187	0.4
195.97754	0.4
199.09741	0.6
201.11325	33.8
202.11617	2.2
207.10245	0.7
209.11824	75.6
210.12157	4.9
225.11284	0.8
226.11653	0.5
227.12868	9.6
228.13115	0.7
235.08185	7.6
237.40201	0.4
249.38870	0.4
253.06644	0.9
253.09247	13.2
254.09598	0.6
277.21710	100.0
278.18979	0.6
278.22058	11.8
279.22467	0.4
286.18948	0.4
305.47223	0.3
405.17487	0.6
437.20157	1.4
443.31384	0.8
445.20618	1.5
461.32730	0.5
493.99161	0.4
513.30487	1.5
723.41748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
61.98827	100.0
62.98531	0.1
63.63112	0.1
71.01380	0.4
72.01678	0.1
72.30127	0.1
73.02928	0.1
85.02956	0.3
89.02451	0.4
99.00907	0.1
101.02446	0.1
108.02166	0.1
125.02457	0.3
125.33118	0.1
149.04543	0.2
151.03978	0.1
159.04443	0.1
175.03993	0.2
179.03436	0.2
184.63951	0.1
191.03487	0.1
191.05576	0.3
191.07146	0.1
193.05020	0.1
233.08290	0.4
234.86630	0.1
291.16119	0.2
293.08707	0.3
294.09232	0.2
295.09192	0.3
327.12061	0.1
333.17062	1.1
379.47864	0.1
385.13135	0.1
386.13235	0.3
387.13501	0.1
412.65836	0.1
495.22363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.0
61.98827	1.1
71.01382	2.0
71.53175	0.5
83.05000	0.5
85.02956	1.0
85.96970	0.4
99.04501	1.0
101.02464	0.6
111.04521	0.7
113.02477	0.6
116.92870	1.6
125.02458	0.7
149.06187	0.8
150.06830	0.9
151.07628	0.9
162.06865	100.0
163.07236	4.6
176.08435	2.5
177.09209	86.9
178.09552	4.9
191.07251	0.7
215.32080	0.5
299.02039	1.2
314.04285	1.0
329.06540	0.7
411.05847	0.8
459.29782	9.7
460.30127	0.8
477.30630	1.4
519.31464	2.9
520.32233	0.7
613.09998	0.5
619.38824	0.9
637.39801	2.0
655.40863	1.0
679.40717	0.9
681.10669	1.3
697.41547	6.6
698.42218	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	741.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	2.9
59.01381	100.0
60.01693	2.4
71.01382	60.9
72.01728	1.6
72.99297	4.2
73.02941	4.6
83.01375	2.8
85.02945	14.0
87.00874	4.8
89.02442	79.5
93.03454	2.9
95.01380	3.8
95.65559	1.5
100.02257	7.7
101.02442	31.2
108.02184	3.8
109.02917	2.0
111.04484	1.6
113.02449	24.7
116.33773	1.3
119.03512	33.0
119.04984	13.4
123.04511	6.6
125.02433	2.2
131.03488	4.2
143.03481	8.8
144.01303	2.5
149.04567	6.3
160.05313	1.7
161.04553	14.9
163.04013	26.2
179.05603	80.4
180.05911	3.3
186.03033	1.4
187.03944	1.8
188.04828	3.1
191.05606	49.7
192.05925	3.6
203.07152	9.8
251.07137	2.0
263.07104	2.6
279.06674	5.5
279.09705	1.2
281.08167	2.0
291.06363	2.1
294.08899	3.1
295.08383	4.1
309.07843	2.4
309.11337	8.9
324.09799	2.5
337.09293	10.1
338.09543	2.1
339.12366	40.6
340.12549	3.6
354.57028	1.4
489.17728	13.9
490.17926	2.8
501.17633	49.6
502.17941	9.3
519.18689	15.3
741.21387	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	741.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.6
67.01905	0.6
71.01385	1.2
71.54747	0.4
74.79872	0.4
83.05029	0.8
85.02946	3.1
87.00890	1.6
87.63724	0.4
89.02449	0.5
93.03459	9.2
94.03807	0.4
96.95953	0.5
99.04505	0.5
109.02953	0.4
111.04531	2.4
116.07121	0.5
118.78516	0.4
119.05023	51.9
120.05367	2.3
127.04020	0.8
129.01904	0.4
135.04524	0.5
137.02432	2.0
141.22511	0.4
148.05255	0.4
155.03485	2.2
163.04002	100.0
164.04359	5.1
168.06699	0.6
171.33640	0.4
173.04529	10.2
174.04922	0.6
191.05605	40.6
192.05930	1.8
209.00475	0.4
252.71902	0.4
325.09341	1.6
329.73206	0.5
336.15527	1.2
337.09268	41.6
337.15652	1.0
338.09583	4.3
343.79593	0.4
379.75763	0.4
530.63654	0.5
593.77386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16227	0.4
57.03455	0.9
59.01136	0.4
59.01379	2.0
65.00338	0.4
67.01902	2.1
71.01369	2.4
71.54494	0.4
73.02940	0.4
76.12489	0.4
81.03458	0.9
83.05040	0.7
83.20375	0.3
85.02953	5.4
87.00883	1.1
93.03462	12.8
94.03800	0.4
97.02966	0.6
102.36864	0.4
102.98611	1.2
107.05022	0.8
108.02188	0.6
109.02947	0.8
111.00888	0.9
111.04532	2.8
123.04494	0.7
124.01669	28.1
125.01971	0.7
127.04040	1.1
129.01958	0.8
133.03001	0.8
134.03755	1.7
135.04535	34.4
136.04858	1.8
137.02444	2.9
137.06076	0.8
139.04022	100.0
140.04366	3.6
155.03531	3.1
161.02411	2.7
163.00781	0.4
163.03964	1.3
167.03465	0.4
173.04558	48.4
174.04907	2.4
179.03506	32.5
180.03917	2.0
182.61938	0.4
191.05620	27.5
192.05977	1.0
195.13934	0.5
239.09163	0.8
331.78024	0.4
337.15027	0.5
343.10324	11.0
344.10712	1.3
353.08774	41.2
354.09073	5.0
387.08286	0.4
387.12991	0.8
488.06006	0.4
715.33087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.1
61.98831	100.0
62.98547	0.1
65.94796	0.1
81.03416	0.1
98.20753	0.1
114.51508	0.1
121.74062	0.1
135.42546	0.1
139.86552	0.1
145.24976	0.1
149.24017	0.1
177.28702	0.1
188.13927	0.1
229.05550	0.1
258.81638	0.1
333.31799	0.1
417.84503	0.1
605.43469	0.1
678.51080	0.1
679.50122	0.1
680.50494	0.5
740.35785	0.1
740.49176	2.2
741.49670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82729	0.5
61.98826	3.1
69.75002	2.0
69.75420	1.2
72.08798	0.6
77.03963	2.6
93.03470	0.8
98.19957	1.0
116.92814	0.9
121.02959	100.0
122.03309	3.4
123.43552	0.5
137.02411	0.6
165.01935	71.3
166.02242	2.7
172.16600	0.6
181.06584	2.0
191.03539	1.4
197.05986	0.6
205.25017	0.5
223.06871	0.5
225.05620	0.9
293.50711	0.6
313.07254	1.7
357.06165	10.5
358.06863	1.1
446.29700	0.6
549.10303	0.8
741.14435	5.5
742.15094	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	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.2
59.63811	0.9
61.98826	6.2
62.81347	1.2
71.01377	14.2
71.04991	1.9
71.39285	0.9
71.42924	1.7
71.43267	1.2
73.02960	1.4
78.95903	1.4
83.23310	0.8
85.02943	2.3
87.00859	1.4
88.49586	1.2
89.02439	3.2
96.95998	3.7
97.02949	3.7
97.06565	1.4
99.00887	11.4
101.02436	5.3
109.06598	1.9
113.02444	2.2
114.29328	1.2
119.03437	1.3
120.28676	1.1
125.09742	5.2
127.11305	1.3
135.08145	1.6
145.05045	1.1
163.11261	7.8
171.10252	16.1
181.12354	13.3
190.97932	0.9
197.11823	1.9
199.11710	1.7
199.13394	19.9
201.11302	1.9
207.10245	36.1
208.10645	1.2
225.11307	60.9
226.11626	4.5
235.08176	2.2
243.12335	12.3
246.30949	1.0
253.09230	7.3
277.21710	64.8
278.22058	5.9
279.22992	1.1
341.86707	1.0
349.90753	1.0
422.24155	1.2
443.19089	1.6
461.20264	10.4
479.21341	2.4
687.31226	1.0
721.41864	5.7
722.41681	1.2
739.42700	100.0
740.29993	1.4
740.42975	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	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38453	1.0
58.58350	0.9
59.01373	10.1
61.33391	1.2
61.98836	5.6
71.01380	9.2
71.05013	2.2
76.80865	1.1
83.01386	1.5
85.02926	2.3
87.00884	2.2
89.02441	2.1
97.02941	3.7
97.06559	2.7
99.00883	10.4
101.02427	4.1
106.88372	1.2
109.06604	2.6
113.02444	3.4
125.09707	6.2
135.08174	1.5
161.04568	1.1
163.11261	6.9
171.10266	11.9
181.12349	11.1
199.13406	9.6
201.11377	1.3
207.10228	24.9
208.10548	1.7
225.11307	41.4
226.11517	2.0
235.08246	2.8
243.12296	5.9
253.09355	6.0
277.21707	75.0
278.22028	9.5
279.23239	2.1
293.21133	2.9
313.44232	1.0
391.21405	1.1
443.19141	2.3
461.20291	6.8
479.21329	1.5
681.49316	1.2
721.41608	6.6
722.41162	1.4
739.42706	100.0
740.43042	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.3
60.66018	0.2
61.98832	100.0
62.58527	0.2
62.98547	0.2
64.85564	0.2
71.01396	0.2
71.54380	0.3
84.80752	0.2
109.57862	0.2
110.32686	0.2
116.92852	0.3
249.51576	0.2
280.23505	0.3
399.13940	0.3
416.94547	0.2
489.21039	0.2
594.62616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	2.1
59.01382	25.1
61.98825	2.0
62.07276	0.9
69.03419	1.4
70.57894	0.8
71.01009	1.8
71.01382	27.3
71.23978	1.3
71.24306	1.2
71.44596	0.8
72.99301	2.1
73.02958	3.6
78.95950	1.3
83.01392	1.9
85.02975	4.6
87.00880	4.5
89.02451	20.0
95.01407	1.5
95.05019	0.9
97.02941	4.4
99.00891	3.1
101.02447	21.2
113.02454	10.6
114.02746	0.9
119.03483	5.2
125.02447	7.4
143.03500	3.1
149.04591	1.9
161.04567	4.2
179.05629	3.1
181.12369	2.2
199.13356	1.0
207.10257	2.5
217.07246	1.0
221.06789	1.6
225.11292	3.5
235.08237	9.2
243.12233	1.9
250.59430	1.0
253.09225	1.9
263.07739	1.1
277.21765	3.7
279.23230	1.8
281.24860	69.6
282.25119	7.0
287.07697	2.3
305.08813	2.8
397.13504	100.0
398.13834	8.8
415.14618	27.8
416.14838	2.1
425.64777	0.9
569.19086	1.0
617.88678	1.0
679.38947	5.1
680.39655	1.8
739.42188	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	739.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03438	3.4
58.00589	1.7
59.01378	40.5
60.27993	0.9
60.99295	2.8
61.98830	13.0
67.01871	1.2
69.03451	5.8
71.01381	51.6
71.02992	1.9
72.99284	2.4
73.02949	6.4
75.00872	2.0
81.03452	3.5
83.01408	4.6
84.02173	9.2
85.02458	1.4
85.02948	20.1
87.00888	2.2
88.98809	14.2
89.02445	65.3
93.03444	2.6
95.01376	2.2
96.95999	1.6
97.02954	6.7
99.00889	10.9
99.04480	2.5
101.02441	13.7
101.42924	0.8
108.02168	14.5
109.03004	4.8
111.00880	3.5
113.02447	7.3
115.03989	3.8
116.92852	2.4
117.01930	0.8
117.03468	0.9
119.03498	1.3
119.05041	1.4
121.02953	11.7
122.03732	1.0
123.00883	1.6
123.04496	3.7
125.02449	43.5
127.04021	1.3
129.01959	4.8
131.03491	12.0
133.02943	1.5
134.03757	4.1
135.04466	2.7
136.01654	8.8
137.02457	6.3
137.37773	1.0
143.03508	2.9
145.02892	1.1
147.03009	1.1
147.04491	3.1
149.02489	2.2
149.04549	17.2
150.03204	3.1
151.04024	1.7
159.04530	1.3
160.05238	0.9
161.02437	3.7
161.04613	1.9
161.06059	4.2
162.03229	2.1
162.06851	4.7
163.03981	3.9
163.07596	2.9
164.04684	1.3
165.01965	4.8
165.05495	1.0
167.03532	1.1
173.00861	1.0
173.04553	1.4
173.06036	1.8
175.04021	8.2
176.04703	2.3
177.05562	1.7
179.03438	1.5
182.02180	1.5
188.04761	0.9
189.05510	4.3
190.06361	7.2
191.01973	2.0
191.03542	2.7
191.05574	13.4
191.07124	3.8
193.05066	4.6
194.05299	1.1
203.07147	1.1
204.04227	2.9
205.04909	2.5
205.08684	1.4
217.08849	1.2
219.06573	6.4
220.07326	3.2
223.05913	1.2
233.06653	37.2
234.06970	1.7
235.09692	3.0
245.08289	0.9
255.03093	1.0
279.06458	1.4
287.05518	1.0
289.07193	2.0
293.08774	100.0
294.09113	7.1
311.09253	1.0
315.05014	2.3
324.10147	1.4
327.12372	2.9
341.10162	1.5
353.10101	1.6
355.11716	2.1
356.12552	8.4
357.13095	2.7
367.06952	1.4
367.11227	1.2
371.11273	4.1
385.12900	59.2
386.13324	7.2
473.43253	0.9
497.68277	0.9
512.68787	0.8
517.18695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54519	0.6
58.00584	1.4
59.01381	31.3
61.98822	1.9
63.47336	0.6
69.03452	1.6
71.01384	25.8
72.94152	0.5
72.99297	1.6
73.02955	4.8
81.03466	0.9
83.01391	3.1
85.02949	5.8
87.00879	6.2
89.02445	22.1
92.33060	0.5
95.01376	2.0
97.02950	4.0
99.00864	1.7
101.02446	22.4
102.02782	0.7
110.13808	0.7
111.00845	0.7
111.04498	1.0
113.02454	11.3
115.03951	0.6
119.03513	5.8
125.02454	8.7
131.03502	1.4
133.05081	0.7
139.03996	0.8
143.03539	3.7
161.04538	5.3
163.11282	0.9
169.05023	0.7
171.10275	18.9
179.05632	4.6
199.09854	0.5
201.11311	1.8
207.10217	3.5
209.11823	0.6
221.06696	1.4
225.11330	8.9
226.11775	0.7
235.08212	11.6
236.08641	0.9
253.09314	5.3
263.07620	1.1
270.58249	0.6
277.21707	29.8
278.22247	3.5
279.23245	0.7
281.24847	77.4
282.25201	9.5
287.07584	3.0
305.08688	3.4
323.09732	1.2
379.12198	0.8
397.13498	100.0
398.13815	8.4
400.59537	0.7
415.08951	1.4
415.14563	28.5
416.14761	3.2
443.19330	1.4
461.20087	1.1
553.77405	0.6
679.39160	4.8
680.39221	0.8
721.41260	1.0
726.80237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97794	0.4
55.01877	2.5
57.03448	14.2
59.01383	2.6
61.98827	2.1
68.11626	0.4
69.32075	0.4
69.39445	3.2
71.01386	2.3
72.99284	0.7
73.02947	0.9
73.66584	0.4
78.06742	0.4
83.01392	5.7
84.02177	1.5
85.02953	100.0
86.03297	1.9
87.00865	1.0
89.02482	0.6
89.03951	0.8
96.96014	0.9
98.19905	1.0
99.00861	0.7
101.02435	1.7
108.02187	1.0
109.02969	1.5
111.00885	13.3
115.91024	0.4
117.03447	2.3
118.63596	0.4
121.02991	0.7
123.04523	1.5
125.02430	2.2
129.01953	46.0
130.02260	1.3
132.02216	0.5
133.02986	0.6
134.03755	20.0
135.04327	0.6
137.02415	2.1
140.01108	0.6
145.01398	0.9
145.02979	0.6
147.03023	8.5
148.27679	0.5
149.02501	0.6
149.06088	2.3
151.03999	0.8
153.82198	0.5
160.01691	2.6
161.02383	1.6
163.04103	0.5
164.04819	0.5
167.03548	0.5
173.00920	18.5
173.06039	0.5
174.01335	0.7
174.03207	1.3
175.03993	4.4
177.01955	3.3
178.02795	1.2
179.03380	0.5
189.01918	0.5
191.01967	6.9
191.05501	0.9
193.05064	22.5
194.05420	1.4
203.03568	0.6
215.03481	0.5
217.01253	0.4
218.05789	0.6
239.07141	0.5
249.05386	0.6
251.07202	1.0
261.07651	2.2
263.06943	0.7
265.05084	0.9
267.06485	2.1
268.07187	0.5
277.05261	0.5
279.06583	1.4
282.08728	0.7
287.09476	0.5
289.07211	1.8
294.05374	1.1
294.08768	0.6
295.05914	0.8
297.11255	0.7
301.03183	0.5
304.07083	0.6
308.07068	0.8
309.07773	1.0
322.08344	0.8
323.04538	0.5
323.08276	3.0
326.08221	0.7
335.09335	1.2
338.08090	1.2
339.05127	0.9
341.10287	3.9
353.10272	9.1
354.10541	0.9
367.06613	7.9
367.11224	0.6
370.01764	0.5
371.11279	0.8
375.14542	0.7
409.12762	0.7
421.12949	1.7
471.12384	0.5
475.12677	0.6
483.13000	0.7
501.14160	3.3
527.11945	0.6
545.13062	1.5
563.14185	0.8
577.15063	0.5
587.12451	0.6
678.50696	0.7
739.19342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
55.25618	0.7
55.34009	0.8
57.03448	13.2
59.01381	6.8
67.01878	1.3
68.99853	0.7
69.17809	8.3
71.01386	3.9
71.16762	0.8
72.99298	2.5
73.02946	1.0
75.00874	1.5
79.18295	1.0
83.01373	3.8
84.02184	2.7
85.02948	100.0
86.03281	2.4
87.00878	1.7
89.02483	0.8
93.03453	3.3
96.95982	1.1
101.02458	2.1
103.00368	1.6
105.03476	1.2
107.02118	0.8
107.05011	0.9
109.02968	2.4
110.27440	0.9
111.00877	8.2
111.04518	1.3
121.02974	1.7
123.04559	1.3
125.02443	1.5
129.01956	10.4
133.02971	4.6
134.03761	4.7
135.04527	21.3
137.02440	2.7
139.04037	1.8
147.02986	11.8
149.02425	4.0
151.03990	1.0
151.38788	1.0
161.02486	1.4
173.00827	1.1
173.04497	4.6
177.01904	1.4
179.03488	21.8
180.03766	1.1
191.01974	55.2
191.05595	41.8
192.02263	1.8
192.05942	2.3
193.01401	3.4
193.05009	1.8
205.03439	6.1
209.02992	9.4
216.14064	0.8
223.04587	33.2
224.04741	0.9
313.70941	0.8
353.08759	30.8
354.09085	3.3
367.06619	2.2
385.07663	27.9
386.08136	2.8
446.61752	0.9
558.60480	0.9
739.18091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72343	0.7
55.01867	2.4
57.03450	13.2
59.01372	8.3
68.99833	1.0
71.01375	6.2
71.54395	0.9
72.99306	2.0
73.02952	1.6
75.00873	2.5
83.01363	3.6
84.02158	2.3
85.02950	100.0
86.03291	2.1
87.00883	2.3
89.02466	1.1
93.03473	4.6
96.96011	2.9
98.92107	0.7
101.02448	1.7
103.00383	1.9
111.00891	4.4
111.04512	1.3
115.00365	1.3
119.05030	4.5
120.05372	0.7
121.02946	1.8
123.04530	1.1
125.02435	2.7
127.04037	1.7
129.01941	7.1
133.03000	1.0
134.03738	4.7
135.04507	2.8
137.02438	4.3
147.02994	13.6
148.03238	0.6
149.02464	1.7
151.04045	0.8
157.64247	0.7
160.04102	0.9
161.02484	2.6
161.04457	0.9
163.04045	4.4
164.04060	0.6
167.03549	0.8
173.00885	2.3
173.04509	3.8
177.01976	1.0
179.03468	2.1
191.01976	71.4
191.05598	74.0
192.02310	2.9
192.04388	0.7
192.05946	4.3
193.01381	1.3
193.04955	3.1
205.03391	1.1
209.03015	15.2
210.03423	0.9
226.53329	0.7
281.10382	1.2
289.07257	0.8
337.09222	1.1
341.12332	1.0
353.08817	8.4
354.09064	1.4
367.06543	2.4
375.07043	1.0
384.09244	1.3
385.07651	24.0
386.07941	3.3
395.67590	0.7
424.71759	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.5
59.01389	3.9
65.00343	0.7
69.03438	1.2
69.92742	3.6
69.93098	1.4
71.01392	0.9
81.03453	1.7
83.01392	4.1
84.20357	0.9
85.02962	1.4
89.03979	3.1
90.82657	0.9
91.01904	1.0
93.03462	2.6
95.04996	1.3
97.02952	3.6
101.02443	0.8
105.03390	0.9
107.04986	1.0
108.02206	1.2
109.02954	27.6
110.03257	0.9
117.03523	1.4
120.91688	0.8
121.02931	3.4
122.03732	1.8
123.04521	10.5
125.02458	16.3
131.07149	3.9
132.02249	0.8
133.02946	11.6
134.03343	0.9
135.04538	2.8
137.02457	19.3
139.04037	2.6
146.03694	1.4
147.04474	0.9
149.02415	4.8
150.03204	3.0
151.04007	10.8
159.04510	3.4
160.05367	1.4
161.02449	25.1
161.06076	3.0
162.03090	2.0
163.00389	1.1
164.01205	2.7
165.01888	2.9
173.04671	0.9
173.06050	1.4
173.08180	2.5
175.03967	5.0
175.07596	1.5
176.01091	2.0
177.01932	100.0
178.02245	5.2
179.03528	4.8
185.06155	1.0
187.03995	3.2
188.04764	2.6
189.01950	9.6
189.05537	1.0
191.05562	0.9
197.06212	0.8
201.01944	0.9
201.05560	1.3
202.06380	1.2
203.03539	3.9
203.07051	8.4
203.08609	0.8
205.01407	2.4
205.05052	6.2
211.03931	1.2
213.05516	1.0
215.03430	2.5
216.00626	3.1
217.01372	4.2
218.02121	0.9
221.08159	2.0
225.05531	1.3
227.03493	5.6
227.07114	1.5
229.01453	5.5
231.02913	1.2
239.03479	3.0
241.05157	0.9
245.04443	2.4
245.08052	10.7
246.08298	1.0
255.03096	1.1
255.06718	1.5
257.04584	0.9
269.04489	1.1
270.01559	1.5
271.02405	1.3
277.05191	1.0
281.04510	2.8
283.02762	1.0
285.04031	0.8
287.05676	8.3
289.07181	45.9
290.07614	2.9
293.04623	1.9
295.02441	1.2
295.05875	1.1
297.04083	1.3
299.05545	3.2
307.02521	1.4
309.03983	1.1
313.03513	2.1
314.04282	0.8
321.03986	5.2
325.03537	3.3
329.06708	4.1
337.07227	1.5
339.05081	28.7
340.05542	1.6
391.08588	0.9
407.07629	1.6
417.06174	3.8
418.06909	1.2
419.91470	1.1
433.09103	1.2
435.07132	13.1
436.07422	2.3
449.08807	17.9
450.09134	3.5
451.10312	10.3
452.10590	1.9
459.07043	7.5
460.07446	1.3
477.08304	2.8
491.11676	1.7
521.16846	4.1
533.12885	1.7
543.13110	1.3
569.10815	9.1
582.74030	1.0
587.11938	25.9
588.12134	4.3
629.13184	2.3
721.16266	1.3
739.16553	20.9
740.16699	5.2
764.27759	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.2
61.98832	100.0
62.98538	0.1
63.67735	0.1
66.35999	0.1
71.01414	0.1
72.53931	0.1
89.02441	0.1
91.46995	0.1
98.19849	0.2
101.02456	0.1
102.68504	0.1
132.37801	0.1
135.38812	0.1
162.98964	0.1
188.62979	0.1
196.30617	0.1
228.87619	0.1
262.88281	0.1
277.21780	0.3
278.22205	0.2
279.23026	0.2
397.13449	0.2
398.14230	0.1
399.14172	0.3
400.14481	0.1
417.15173	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	27.3
58.67832	0.4
59.01378	11.6
61.98829	80.2
63.76748	0.4
64.44402	0.4
69.03468	0.7
71.01401	0.8
71.55325	0.7
81.03472	1.3
84.02179	0.9
85.02946	0.6
87.00891	0.5
88.98809	2.7
89.02435	0.6
92.03092	0.4
93.03467	1.4
95.01381	0.7
99.04518	42.1
100.04874	0.9
101.02450	8.3
105.01937	1.0
108.02171	8.0
109.02984	2.0
113.02472	0.6
119.05016	0.6
121.02949	6.9
121.03761	0.5
122.03802	0.8
124.60065	0.4
125.02444	27.6
126.02803	0.9
133.02960	0.5
133.06601	0.6
135.04514	1.0
136.01645	4.9
137.02469	3.0
143.03496	1.8
143.05066	0.5
147.04485	0.8
148.05432	0.4
149.02481	0.7
150.03207	0.6
159.04510	0.9
160.05264	0.7
161.06061	2.8
162.03229	0.8
162.06755	0.5
163.03983	1.3
163.07664	1.5
165.01921	6.7
171.04590	0.6
173.04541	0.7
173.06065	1.0
175.03932	1.0
176.04782	0.5
189.05537	2.9
190.06363	1.0
191.03642	0.9
191.05589	2.4
191.07169	2.0
193.04970	1.0
204.04237	1.4
209.11845	2.0
219.06535	3.3
283.09775	0.6
311.09271	2.7
339.08673	2.9
340.09494	5.9
341.10263	2.1
351.90085	0.4
369.09769	100.0
370.10141	11.6
531.15167	1.2
573.16406	1.6
631.20862	1.0
675.19189	8.1
676.19751	1.7
738.32233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30990	0.1
58.55544	0.1
59.01373	0.3
61.98832	100.0
62.98524	0.2
71.01389	0.2
71.17480	0.2
75.19411	0.1
78.95886	0.1
87.00867	0.1
89.02438	0.1
93.32866	0.1
101.02485	0.3
116.92844	0.1
125.02409	0.1
139.49318	0.1
156.11497	0.1
156.15158	0.1
209.11792	0.2
244.06958	0.1
268.28134	0.1
277.21780	0.2
278.22195	0.3
279.23157	0.4
293.21130	0.1
318.30847	0.1
397.13501	0.1
398.13943	0.2
399.14035	0.2
417.15298	0.2
561.98553	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88145	0.5
57.03446	30.1
58.03761	0.8
59.01379	11.6
59.96986	0.5
61.98826	85.5
62.40912	0.6
62.53051	0.5
69.24097	3.3
69.24498	0.8
71.01379	1.4
81.03453	1.4
83.01382	0.8
84.02155	5.0
85.02954	0.9
88.98817	1.3
93.03446	1.3
97.72594	0.5
99.04517	40.4
100.04846	1.1
101.02431	8.4
108.02170	6.4
109.02954	1.5
114.67493	0.5
119.05021	0.8
121.02948	5.7
125.02441	30.6
126.02775	0.8
129.55589	0.6
133.06622	0.8
135.04483	0.7
136.01665	4.4
137.02425	2.5
139.01326	0.5
143.03499	1.4
145.02911	1.0
146.03719	0.7
147.04510	1.4
147.08270	0.5
150.03221	0.9
159.04529	1.1
160.05284	1.1
161.02409	0.9
161.06038	3.1
162.03264	0.8
163.04004	1.2
163.07655	1.9
165.01958	2.6
171.04475	0.7
171.10204	0.7
173.05995	0.6
175.03978	1.5
176.04799	1.1
178.02597	0.6
182.02229	0.7
189.05550	3.3
190.06319	2.0
191.03477	1.1
191.05653	1.1
191.07156	3.2
201.05646	0.9
204.04312	1.4
209.11769	1.2
219.06564	5.9
272.68427	0.5
283.09793	0.6
311.09274	2.6
312.09399	0.6
339.08743	3.0
340.09467	4.8
341.10272	1.2
369.09753	100.0
370.10043	11.5
469.21912	0.6
516.87610	0.6
573.16138	2.5
631.20062	0.8
675.19269	7.3
676.19257	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	737.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64317	0.2
58.02985	0.2
59.01379	13.5
59.63620	0.2
60.12939	0.2
62.71420	0.2
81.03459	4.7
83.05027	12.5
84.05360	0.5
84.80180	0.2
88.80542	0.2
93.22450	0.2
98.19904	0.3
107.06121	0.3
108.04564	0.4
117.27112	0.2
121.46827	0.2
125.07230	0.9
143.08247	0.2
148.94066	0.2
154.33804	0.2
157.13440	0.2
169.88461	0.2
207.14987	1.1
209.20792	0.2
224.17650	1.7
225.16083	11.4
226.16420	1.2
236.85008	0.2
242.18692	0.4
250.15627	0.3
309.21710	1.0
324.26431	0.4
333.22949	0.8
341.29034	0.8
367.27127	1.5
433.32047	1.1
450.34467	1.0
451.32910	7.4
452.32935	0.9
471.18500	0.3
550.43604	0.9
559.39642	0.3
593.43915	0.7
659.48865	1.9
660.48615	0.6
677.49677	100.0
678.50006	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	737.412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	8.2
61.98830	30.3
68.98489	1.2
69.03442	2.8
71.01369	3.7
71.04988	1.4
71.24101	1.4
71.24445	2.5
83.30448	1.1
85.02919	2.1
87.00889	1.4
89.02428	3.0
100.12456	1.1
101.02413	3.6
105.31952	1.1
110.97808	1.3
113.02444	1.5
113.63348	1.3
125.09666	1.5
145.05614	1.3
151.11275	1.7
159.67618	1.2
161.04471	1.4
161.09653	2.5
179.10744	5.3
197.11824	71.8
198.12170	4.3
205.08762	2.6
223.09680	3.5
241.10718	3.8
253.09193	3.5
270.63150	1.5
277.18893	1.9
277.21710	30.3
278.21848	2.0
279.23312	3.5
421.69424	1.4
477.19656	2.6
737.41138	100.0
738.41199	21.8
738.53241	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	737.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.7
61.98831	12.5
69.03440	3.8
71.01373	4.4
71.04994	1.6
71.54115	1.3
73.02945	1.3
78.95889	1.1
81.03404	1.1
83.05016	1.2
86.51872	1.1
88.98791	2.0
89.02424	4.3
95.01389	1.2
97.75890	1.0
100.56865	1.1
101.02441	3.8
103.63506	1.2
105.04049	1.1
123.08137	1.7
125.09698	2.4
151.11243	3.2
161.04604	1.4
161.09665	3.5
169.12187	1.5
179.10742	7.9
197.11824	40.6
207.99352	1.0
223.09799	2.5
241.10818	1.6
253.09328	2.7
277.21713	49.1
277.24783	2.6
278.22031	5.6
279.23187	2.1
455.63425	1.5
542.18195	1.1
549.29053	1.4
555.95557	1.3
653.56116	1.3
735.92151	1.3
737.41095	100.0
738.41364	24.7
738.53680	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	737.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82380	0.4
59.01379	5.0
61.95196	0.4
61.98830	12.0
71.01385	2.9
71.24192	0.6
71.24537	0.4
74.41086	0.5
80.02681	1.1
81.03454	1.3
83.01392	0.6
83.05026	4.6
84.02173	1.0
85.02956	1.5
87.00877	1.5
88.00379	0.4
89.02435	1.4
93.03465	1.1
95.05050	0.6
97.02983	0.4
99.00916	0.8
101.02451	2.0
105.01919	1.7
109.06554	0.4
113.02447	1.2
125.02454	0.8
125.06046	0.5
135.04510	0.5
135.08217	0.6
137.02449	1.4
161.04530	0.6
163.10031	0.6
163.11302	4.1
165.12856	1.9
169.12329	1.5
170.42307	0.4
171.10278	2.3
173.04498	1.1
181.12360	1.0
191.05635	4.3
191.10764	0.7
199.13365	0.6
206.57175	0.4
207.10313	1.5
209.11821	100.0
210.12189	7.3
225.11255	2.6
227.12881	15.7
228.13139	1.5
235.08125	2.0
243.12398	0.7
253.09285	4.2
273.17087	0.5
290.46936	0.4
298.04526	0.4
370.56802	0.5
405.20959	0.5
445.20996	3.4
452.38513	0.4
479.21024	0.5
637.32935	0.8
651.15900	0.4
687.32605	1.0
737.38007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82072	0.8
55.01878	1.2
58.00578	1.1
59.01381	29.8
61.98829	3.9
69.03444	2.3
69.75941	3.7
71.01383	24.1
72.99296	2.4
73.02940	3.3
81.03454	1.1
83.01385	2.7
85.02943	4.3
87.00861	5.1
89.02440	20.3
95.01379	1.6
97.02933	4.6
97.47286	1.0
99.00879	1.5
101.02442	17.1
102.19725	1.1
105.04712	0.9
106.49036	0.8
113.02449	8.0
119.03456	6.1
125.02453	7.9
141.01678	1.3
143.03477	3.2
161.04520	4.3
179.05592	4.2
209.11769	2.0
221.06735	2.6
225.11092	1.8
235.08241	10.4
245.06564	1.3
253.09222	2.4
257.26004	1.0
279.23276	70.2
280.23672	6.2
284.08914	0.9
287.07605	2.5
291.19608	1.4
293.21283	1.5
305.08701	2.9
323.10052	1.0
397.13477	100.0
398.13818	7.8
415.08981	1.8
415.14526	31.4
416.14792	2.5
626.64990	1.0
677.37592	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	737.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95852	0.6
55.01871	0.9
56.96677	0.7
57.03442	0.8
58.00581	1.3
59.01382	28.6
61.98823	1.7
66.23132	0.8
68.99802	0.6
69.03458	1.3
71.01383	25.6
72.99288	2.4
73.02959	3.6
75.00881	0.7
78.68816	0.7
81.03468	1.1
83.01395	2.6
85.02959	6.0
87.00870	4.8
89.02448	20.4
89.03007	1.0
95.01381	1.3
97.02922	4.0
99.00890	2.0
101.02444	18.9
113.02448	9.3
115.04039	0.8
119.03506	5.5
125.02440	9.2
126.87488	0.7
131.03557	0.8
132.16162	0.7
133.05122	1.4
139.04015	1.1
143.03513	3.2
149.04486	0.7
152.71394	0.8
161.04553	3.9
179.05624	4.3
184.02191	0.7
221.06686	1.3
235.08220	10.3
253.09291	2.6
263.07761	0.7
279.23285	79.8
280.23624	7.8
287.07645	3.3
305.08771	4.0
319.44196	0.6
323.09985	1.5
342.61792	0.7
397.13486	100.0
398.13864	8.5
415.14572	32.6
416.14978	2.2
421.34274	0.7
430.26114	0.8
437.02426	0.9
677.37805	3.0
678.39008	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43295	0.5
57.03442	1.6
58.59031	0.5
59.01377	100.0
60.01719	1.2
61.98830	11.5
71.01380	9.5
71.55331	0.9
73.02945	3.3
79.54494	0.5
81.03475	0.7
83.01390	1.3
83.05044	1.9
85.02947	5.3
87.00874	1.8
89.02452	1.1
93.03474	2.1
95.01414	1.0
96.81608	0.5
96.96000	1.1
99.00901	1.4
99.04546	2.2
101.02439	7.1
102.57556	0.6
105.01976	1.7
113.02434	5.3
113.50079	0.6
116.92892	1.9
121.02975	1.8
125.02436	2.8
135.04619	0.8
137.02519	1.1
143.03539	1.2
149.06126	0.9
159.03050	1.4
161.04570	8.4
163.11324	1.1
165.13026	0.6
171.10268	1.2
173.04608	0.6
191.05603	6.0
195.06810	0.5
209.11807	29.2
210.12190	1.5
227.12895	4.6
228.13037	0.6
235.08397	0.5
242.19405	0.5
253.09451	1.5
289.53333	0.5
341.06100	0.5
369.09885	5.2
445.20584	0.9
456.82230	0.5
497.29016	0.8
515.30127	8.0
516.30487	1.1
677.35345	12.3
678.35297	2.8
737.37891	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	737.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03159	1.0
57.03445	21.3
59.01380	25.2
69.03452	0.6
71.01370	1.7
73.02944	2.3
81.03442	0.9
83.05016	1.0
85.02946	8.0
89.02421	0.8
93.03435	1.2
93.58828	0.6
96.96021	1.2
99.04515	3.2
109.06587	15.8
110.06903	0.6
111.04522	8.6
119.15717	0.6
121.06599	1.0
123.08180	1.6
125.02393	0.8
125.06031	1.0
135.04500	1.9
135.08160	20.6
136.08507	1.0
137.09714	12.0
138.06871	2.8
149.02411	1.0
149.04546	1.0
149.09734	5.6
151.07532	0.7
153.09213	6.1
159.08142	0.6
161.02449	0.8
163.04033	0.7
163.11270	9.1
164.11649	0.7
167.10753	8.7
173.04482	1.0
175.11270	1.6
177.09196	26.1
178.09564	1.8
179.03482	1.6
191.05644	3.7
191.10713	6.3
193.12323	100.0
194.12654	7.6
196.19185	0.6
211.13380	43.3
212.13736	2.5
217.12279	4.8
223.04529	1.0
235.13373	25.5
236.13762	2.3
253.14433	23.3
254.14865	1.6
255.12341	2.8
297.13422	12.3
298.13782	1.7
341.08807	1.1
348.03433	0.7
386.80472	0.8
541.71942	0.7
667.86328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.5
59.01376	22.4
69.68990	4.5
71.05006	1.8
74.58086	0.9
85.02945	1.5
89.72445	0.9
93.03458	1.6
94.55151	0.8
97.97710	1.0
98.20605	1.0
107.01384	2.4
107.14646	0.9
109.02937	2.1
121.03003	1.6
125.02397	0.9
127.11280	1.9
137.35223	0.9
139.11310	0.9
151.00354	8.2
151.03900	0.9
155.10767	1.8
157.12332	12.8
163.00336	1.5
163.06642	0.9
173.04422	1.4
178.99857	4.8
185.11827	11.7
187.82478	1.0
191.05579	9.2
191.37309	0.9
203.12874	100.0
204.13176	5.8
211.03859	1.0
227.03423	1.5
243.02969	4.9
245.04453	1.6
245.13921	59.3
246.14326	5.3
254.02191	1.2
255.02963	9.8
256.03427	1.5
262.89999	0.9
271.02487	20.7
271.05432	1.3
272.02914	2.6
283.02594	1.2
284.03363	1.0
300.02737	45.3
301.03488	34.7
301.06400	0.7
302.03809	3.7
388.09946	2.0
391.07922	0.9
403.12027	2.4
447.09305	74.7
448.09583	10.5
474.18991	1.0
535.98785	0.9
545.14606	2.5
565.17603	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	737.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.3
56.51782	0.5
57.03455	5.7
57.93159	0.7
59.01375	4.0
61.98833	12.5
67.01898	1.5
68.99831	0.7
69.03452	0.6
69.68716	0.9
69.69125	2.3
71.01390	3.1
72.23849	0.5
73.02940	0.9
75.57508	0.5
81.02959	0.6
81.03445	1.0
83.01391	10.0
84.02187	1.4
85.02953	53.8
86.03291	0.9
88.98843	0.6
89.02463	0.9
89.03971	1.5
89.51109	0.5
90.38465	0.5
92.22877	0.5
93.03477	1.3
95.01392	0.9
96.96057	1.0
97.02977	1.4
98.20575	1.0
99.00935	0.9
101.02451	1.2
101.84344	0.6
106.04230	0.8
108.02200	2.3
109.02969	0.8
111.00887	16.8
113.02457	0.9
117.03468	4.7
119.05048	0.8
121.02975	1.9
123.04519	3.6
124.01621	1.1
125.02436	3.3
127.00377	1.7
129.01945	25.7
132.02176	6.2
133.02924	1.8
134.03746	78.6
135.03986	3.1
136.01682	0.9
137.02437	9.0
139.04031	2.1
143.40926	0.6
147.03003	2.4
147.04544	0.7
149.02443	1.0
149.06087	17.9
150.03259	1.2
150.06392	0.8
151.03952	1.0
154.99826	2.8
158.03697	0.6
160.01660	31.1
161.02440	6.6
162.03281	3.0
165.01889	0.6
167.03488	0.9
172.05280	1.5
173.00865	3.5
173.04631	0.7
173.06061	1.4
175.04001	45.4
176.04347	2.2
177.05586	1.2
178.02715	23.2
179.03143	1.0
183.10289	1.1
188.04802	1.3
189.05542	1.6
190.02588	0.9
190.06386	1.0
191.01982	1.1
191.05583	1.3
193.05054	100.0
194.02185	1.7
194.05388	6.4
200.04802	2.2
201.05554	1.2
202.02740	0.9
202.06360	4.9
203.06682	0.6
205.05037	0.8
215.07092	2.3
217.05096	2.1
217.08681	8.0
218.05844	8.1
218.08992	0.7
219.06244	1.0
228.04236	1.0
233.04514	1.6
233.08186	22.2
234.08487	1.6
243.02882	0.5
243.06670	2.8
246.05261	0.8
251.37283	0.6
261.07672	26.6
262.07986	2.7
287.05630	2.3
288.05658	0.6
293.95123	0.6
305.06693	8.2
306.06918	1.1
323.07767	4.9
349.05542	2.6
367.06696	2.8
541.14893	0.9
737.26434	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97010	0.6
55.01862	1.3
57.03442	1.4
58.00599	1.4
59.01382	35.6
60.57510	0.6
61.98833	0.8
65.07315	0.5
65.71764	0.6
69.03453	1.9
70.72023	1.3
71.01382	27.3
72.01720	0.8
72.99287	2.0
73.02941	5.4
78.95988	0.5
81.03454	0.8
83.01378	2.8
85.02953	5.5
87.00876	6.1
89.02444	21.8
92.11372	0.6
95.01369	2.0
97.02971	3.8
99.00915	0.9
101.02445	20.5
103.51170	0.7
109.02932	0.6
111.00835	0.6
111.04504	1.1
113.02448	9.4
116.77374	0.6
119.03507	6.0
121.02969	0.8
121.53455	0.6
125.02448	9.1
131.03487	0.8
131.31575	0.5
133.05042	1.4
139.03987	0.6
141.02003	0.7
143.03488	4.3
148.23186	0.7
156.82060	0.6
158.24431	0.6
161.04565	4.7
167.03520	1.0
169.05116	0.8
171.03114	0.6
179.05644	4.5
217.07228	0.7
221.06648	1.9
221.08751	0.6
233.22545	0.6
235.08238	9.7
236.08441	0.7
253.09271	2.1
263.07697	0.9
277.21719	70.0
278.22064	6.7
287.07745	3.5
305.08731	3.8
306.09506	0.8
323.09967	0.8
355.79428	0.7
379.12234	0.7
397.13510	100.0
398.13855	9.7
415.14554	33.8
416.14758	3.1
442.95151	0.6
675.35974	2.3
699.43384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17107	0.3
57.03446	2.4
59.01381	11.4
61.98825	1.9
71.01388	1.9
71.55000	0.4
73.02948	1.1
76.80717	0.3
83.01357	0.5
83.05018	4.1
85.02943	0.7
87.00877	0.8
89.02446	6.3
93.03455	1.2
96.96014	1.1
97.06594	3.4
99.00897	0.3
101.02423	0.5
111.04580	0.4
113.02489	0.6
121.06577	0.3
123.04492	0.4
123.08131	0.6
125.02450	0.7
131.03519	1.4
133.02893	0.5
134.03767	0.4
134.08748	0.3
137.02420	0.5
137.09731	1.3
139.11305	0.7
149.04546	18.8
149.09715	1.0
150.04918	0.6
151.11354	0.4
158.03757	0.7
159.04474	1.1
161.02399	0.5
163.11285	6.2
164.11583	0.6
165.12825	1.2
167.03436	1.0
167.14435	1.0
171.09634	0.3
172.05283	0.6
173.04501	1.4
173.06049	1.6
175.07626	0.4
177.12813	1.3
179.14403	3.6
187.07632	4.8
191.05653	2.7
195.13902	17.6
196.14189	1.1
197.15482	1.8
201.05586	0.6
202.06369	2.0
203.10858	0.8
213.09224	2.7
215.07062	2.2
223.13380	17.0
224.13742	1.5
227.03525	0.6
229.08725	1.1
231.10312	4.0
241.14441	100.0
242.14787	7.2
257.08194	3.4
258.08493	0.6
275.09277	10.2
276.09616	0.6
283.15497	55.3
284.15836	4.5
361.12854	0.6
389.12878	0.3
407.07669	1.2
407.13379	8.1
407.18713	0.5
408.13699	1.3
439.36728	0.4
635.85712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
56.48252	0.6
57.03442	1.9
58.00602	1.1
59.01378	100.0
60.01723	0.9
61.98838	2.7
64.32751	0.6
64.48882	0.6
67.98352	0.6
69.03461	1.2
71.01380	35.5
72.99300	1.4
73.02947	15.4
81.03440	0.9
83.01387	4.7
84.02167	0.7
85.02949	12.8
87.00895	2.8
89.02446	15.8
95.01376	3.8
97.02955	1.2
99.00909	1.9
101.02439	19.6
113.02445	27.2
114.02789	0.8
114.98511	0.6
119.03487	7.3
124.01634	2.9
125.02443	5.2
131.03545	1.3
142.02618	0.7
143.03491	5.1
149.04590	1.3
149.90482	0.6
155.03583	1.0
161.04526	9.5
161.05702	0.9
167.03513	1.6
179.05618	3.9
191.05551	1.2
201.11176	0.6
219.98608	0.6
229.23380	0.8
337.72775	0.6
338.27069	0.6
339.12598	0.7
381.23090	1.2
485.42471	0.6
500.42700	0.7
507.25974	1.1
525.27057	15.3
526.27618	2.4
543.28101	42.0
544.28455	8.1
561.29199	10.6
562.29840	1.9
585.29254	10.1
585.37952	1.1
586.29559	2.3
603.30194	11.6
603.39307	1.0
604.31104	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	735.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01380	2.5
60.99302	1.3
63.40955	0.2
65.03962	0.2
67.01888	3.7
69.03448	1.2
69.51277	0.4
69.51686	0.9
71.01380	1.7
73.02960	0.4
77.35645	0.2
79.37446	0.2
81.03453	0.7
83.05051	0.8
85.02943	4.2
85.08891	0.2
87.00872	5.3
89.03978	0.2
93.03454	26.5
94.03801	0.9
97.02945	0.2
99.00865	0.4
99.04529	0.4
101.02425	0.4
108.75862	0.2
109.02951	0.7
111.04513	4.0
113.02444	0.4
115.04010	0.3
117.03489	0.9
125.02435	0.2
127.00827	0.2
127.04019	1.0
129.01929	0.7
134.03738	8.3
135.04053	0.2
137.02419	0.4
143.03517	0.2
149.06062	0.6
155.03493	1.0
159.76060	0.2
160.01631	0.5
169.08708	0.2
171.02977	0.3
173.04539	12.0
174.04839	0.6
175.03984	0.6
178.02707	0.4
184.75824	0.2
191.05600	100.0
192.05934	3.9
193.05038	5.8
193.06799	0.3
194.05426	0.3
235.11806	0.3
367.10306	39.4
368.10651	4.4
488.96252	0.2
504.49506	0.2
589.40405	0.2
639.34576	0.2
744.95471	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01368	1.2
60.84562	0.2
60.99306	1.1
62.18554	0.3
65.03976	0.3
67.01890	4.4
69.03455	1.2
71.01374	2.9
73.52921	0.3
79.85449	0.3
81.03460	0.9
83.05013	0.8
83.57211	0.3
85.02936	4.2
86.03275	0.4
87.00874	4.7
93.03454	28.6
94.03801	1.1
99.00866	0.5
99.04518	0.4
102.97375	0.3
103.38567	0.3
109.02970	0.8
111.00881	0.4
111.04514	5.2
113.02453	0.3
117.03435	0.3
119.05021	14.0
127.04030	1.4
129.01941	0.7
133.41081	0.3
137.02393	2.0
145.02930	1.1
155.03488	2.6
161.13066	0.3
163.03998	13.2
164.04276	0.6
171.03012	0.5
172.54274	0.3
173.04536	59.8
174.04887	2.1
191.05600	100.0
192.05923	4.0
229.35143	0.3
309.69830	0.3
313.77841	0.3
337.09256	55.2
338.09586	5.0
371.07245	0.3
415.14392	0.3
431.79761	0.3
688.56537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24168	0.3
59.01387	2.5
61.98833	3.8
69.40965	0.6
69.41375	2.4
71.01386	1.3
73.02945	0.4
75.89788	0.4
79.95736	0.6
81.95303	0.4
85.02985	0.5
88.98010	0.4
89.76926	0.4
93.03465	0.4
96.96008	23.9
97.95942	0.6
98.19942	0.7
98.95595	11.6
98.96426	2.1
99.00883	0.4
99.92584	20.1
100.92647	0.8
100.93363	1.4
101.02425	0.7
103.00350	0.7
114.94978	0.4
115.92075	21.7
116.92857	100.0
117.92876	5.6
121.02942	0.4
123.00853	0.4
125.02406	0.6
137.02440	0.7
140.92877	0.9
141.93651	1.4
142.94409	1.9
156.92323	0.5
158.93898	0.7
170.93867	0.6
174.93405	1.2
184.91824	2.3
184.95517	0.8
186.93480	0.8
191.05580	1.3
209.11761	0.7
212.94919	0.5
242.96010	1.5
243.96506	0.5
285.97787	0.9
350.04883	0.4
351.85211	0.4
385.12909	1.2
386.13217	0.6
501.04453	0.4
529.64185	0.4
611.08875	0.7
629.09912	1.6
630.10352	0.5
647.10608	1.7
671.10901	1.7
672.11316	0.6
689.11719	2.1
690.11407	0.6
697.08722	1.9
698.09003	0.6
733.10767	10.1
733.23029	0.5
734.10919	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	731.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.4
61.98830	3.6
65.03978	0.6
67.01881	1.4
69.03457	0.6
71.01378	0.4
71.44420	0.5
76.75246	0.3
79.05551	0.3
81.03465	0.8
83.01381	0.8
84.02167	0.5
85.02954	0.3
91.01925	0.4
93.03466	1.4
95.01386	2.1
97.02940	0.4
107.05019	0.7
108.02150	1.4
109.02950	13.8
110.03261	0.4
111.00918	0.5
115.05563	0.5
117.03440	1.3
119.05021	0.8
121.02959	5.1
121.06550	0.4
122.03808	0.3
123.00886	1.4
123.04552	2.1
124.01665	0.9
125.02440	4.5
130.04266	0.5
131.05014	1.1
133.02975	1.5
133.06609	0.5
134.03740	0.6
135.00868	0.4
135.04506	1.5
136.01665	4.3
137.02444	100.0
138.02768	4.0
139.00389	0.4
143.05025	1.2
145.02950	1.0
145.06592	1.1
146.03700	0.8
147.04514	2.6
149.02444	1.1
149.06102	0.6
150.03239	0.3
151.04005	2.5
152.01166	0.4
153.01981	0.5
158.03761	1.0
159.04507	7.0
160.04865	0.6
161.02440	2.2
161.06068	3.9
162.03156	0.4
162.06438	0.3
163.04021	2.2
171.04492	0.4
171.10220	2.4
173.02487	0.3
173.06041	0.3
174.03204	0.5
175.04004	3.5
176.04823	1.3
177.01930	1.1
177.05653	1.4
179.03508	1.6
187.04002	9.6
188.04420	0.7
189.02016	0.4
189.05579	10.3
190.02695	0.3
190.06154	0.9
191.03477	0.3
191.05630	0.5
193.12299	0.3
201.11310	0.7
202.11598	0.4
203.03493	2.8
204.04164	1.0
205.05032	2.0
205.08578	0.3
209.11819	0.6
217.04974	0.5
218.05804	1.4
231.02989	0.4
233.08177	1.7
249.05292	0.3
253.08827	1.2
254.09546	0.4
267.06534	0.4
268.07315	0.7
269.08163	1.0
279.06708	0.4
281.08197	0.4
295.06128	0.4
297.07654	0.5
299.09436	0.5
313.10703	0.8
323.09128	0.3
325.10709	0.3
327.08774	3.9
327.12366	0.6
328.09317	0.7
329.10284	30.4
330.10599	3.1
339.08572	0.4
341.06546	0.5
341.10278	0.6
341.23288	0.7
342.10434	0.4
343.11829	3.6
353.10373	0.6
355.11862	0.8
356.08688	0.5
357.13489	0.5
358.13766	0.5
359.14206	0.5
371.11334	47.9
372.11694	6.7
373.12790	2.1
517.14990	8.1
518.15503	1.0
653.20850	0.4
665.20691	0.4
683.21271	20.9
684.21472	5.2
701.22327	15.3
702.22601	4.7
724.85437	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14900	0.8
60.45930	0.7
61.98835	6.3
67.01895	2.1
68.99806	0.7
69.03451	0.9
69.46899	3.1
69.47314	1.4
71.01369	0.7
83.01364	1.1
93.03464	1.2
95.01380	2.0
108.02198	1.7
109.02944	15.5
117.03452	1.0
119.05080	0.8
121.02970	4.8
123.00858	2.4
123.04528	2.5
124.01687	1.0
125.02459	4.3
131.05026	1.5
133.02960	1.8
133.06560	0.9
135.00905	0.9
135.04494	1.4
136.01654	3.6
137.02443	100.0
138.02815	3.0
143.05006	1.0
145.02991	1.0
145.06584	1.5
147.04538	2.3
148.05089	0.7
149.02448	1.3
151.03999	2.9
158.03722	1.2
159.04517	7.0
161.02420	2.6
161.06097	3.5
162.03189	0.8
163.03999	2.4
171.04518	0.8
171.10266	1.4
174.03198	1.2
175.03984	2.7
176.04750	1.0
177.01984	0.9
177.05545	1.6
179.03549	2.0
179.07300	0.6
183.73883	0.6
187.04018	9.7
188.04509	0.6
189.05568	12.1
190.05907	0.6
191.05530	1.1
203.03561	4.3
203.05234	0.9
204.04160	0.7
205.05011	1.8
213.36353	0.8
214.55505	0.8
218.05852	1.3
233.08150	1.8
253.08775	1.0
269.08127	1.3
299.09460	0.8
313.10739	0.8
327.08841	3.9
328.09210	0.7
329.10294	29.6
330.10770	3.9
343.11783	2.5
353.10062	1.3
357.09610	1.0
371.11316	46.4
372.11694	5.1
373.13010	1.6
409.30249	0.7
445.44003	0.7
464.53104	0.7
467.31497	0.7
517.15082	6.9
683.21271	21.6
684.21497	5.8
701.22296	13.4
702.22687	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	731.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28534	0.7
53.32484	0.8
56.59855	0.7
59.01381	1.8
61.98832	7.6
68.99797	1.0
71.01377	0.8
71.54973	0.8
76.79909	0.6
81.03459	1.3
81.09968	0.8
93.03443	2.3
95.01380	1.3
95.05047	1.0
105.03457	1.6
108.02177	2.9
109.02950	20.3
117.03461	8.1
119.05017	1.1
121.02946	8.5
123.00872	1.3
123.04518	4.5
124.01646	1.2
125.02493	3.4
130.04218	0.8
133.02954	8.7
133.06592	1.0
135.04529	2.9
136.01686	5.9
137.02446	100.0
138.01576	0.7
138.02802	3.0
143.05037	1.0
146.03630	0.8
147.04529	2.7
149.02437	1.3
151.04024	5.0
158.03766	1.7
159.04512	5.2
160.01675	1.2
160.26744	0.7
161.02443	8.3
161.06058	4.4
162.03073	0.7
163.04013	2.6
171.04570	1.0
171.10303	1.8
175.03981	6.8
176.04581	1.1
177.01892	1.5
177.05573	1.3
179.03502	12.2
180.03801	0.8
187.04013	8.7
188.04588	1.4
189.05617	6.7
190.06030	1.4
191.05576	1.7
203.03476	3.2
205.05188	1.8
209.11865	1.1
218.05826	1.0
233.08237	1.2
241.05132	1.1
260.73999	0.8
277.06653	0.8
297.07535	3.8
322.51889	0.8
326.69833	0.8
327.08734	87.6
328.09094	10.8
329.10291	39.8
330.10541	5.6
330.72733	0.7
334.67734	0.7
342.47302	0.7
343.11911	1.2
356.12808	1.0
357.09863	1.0
371.11328	18.6
372.11694	2.8
373.12659	1.0
385.12903	1.6
517.15619	2.0
594.30469	0.8
594.40002	0.9
683.21320	7.6
684.21667	2.2
701.22137	5.0
731.25726	1.2
749.60010	1.0
756.24805	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25471	0.1
59.01385	1.1
61.98840	0.6
65.57430	0.1
67.98049	0.1
70.72801	0.1
71.01384	0.4
71.55624	0.2
72.96112	0.1
73.02898	0.1
78.95905	1.3
79.95735	3.7
84.02143	0.3
85.02942	0.3
93.03495	0.2
94.14000	0.1
94.98101	0.3
95.01388	0.1
96.96010	100.0
97.93142	0.3
97.95940	0.4
99.04391	0.1
101.02446	0.2
108.02168	0.4
113.92625	0.3
114.93413	1.7
121.02946	0.5
125.02390	0.1
128.61566	0.1
136.01671	0.3
137.02441	0.3
147.04564	0.2
148.29726	0.1
151.07602	0.1
165.01923	0.2
175.04039	0.3
176.04724	0.2
190.06361	0.3
191.03444	0.1
191.05598	0.3
191.07188	0.1
219.06598	0.1
247.41519	0.2
265.96634	0.2
295.66980	0.1
327.12476	0.2
356.12579	0.2
359.11298	0.3
385.12924	4.8
386.13257	0.8
731.24963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58219	0.6
58.84064	0.6
60.99302	18.7
61.98828	1.9
69.32844	4.3
87.00861	5.9
88.00404	1.1
88.98803	100.0
89.02440	26.6
89.02997	0.6
89.99168	0.7
94.07424	0.6
397.27756	0.7
438.13559	2.2
439.13638	0.9
467.13718	1.9
481.15164	14.2
482.15402	7.1
483.16498	1.0
495.16986	1.3
497.18274	3.3
498.18542	0.9
514.14905	8.9
515.15399	1.3
540.16376	3.9
541.16534	1.3
555.18811	39.8
556.19104	13.5
572.15399	6.3
573.15948	1.4
627.20575	0.9
641.22650	2.1
642.22284	1.3
659.23590	26.9
660.23572	7.9
731.25732	5.0
732.26166	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.2
61.98830	100.0
62.98538	0.2
68.57496	0.1
68.59540	0.1
68.67918	0.2
69.86137	0.1
78.20111	0.1
80.96529	0.4
83.50244	0.1
98.19778	0.3
147.36755	0.1
152.99585	0.1
171.10263	0.7
172.10599	0.2
229.35612	0.1
277.21796	0.2
278.22235	0.2
731.36475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.2
61.98829	100.0
62.98532	0.2
80.96497	0.6
82.13963	0.1
83.18945	0.1
96.38957	0.1
96.46945	0.1
152.98541	0.1
160.14816	0.1
171.10297	0.4
172.10536	0.1
277.21783	0.3
278.22098	0.3
279.22290	0.2
731.36456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45115	0.1
51.51728	0.1
55.79285	0.1
56.84768	0.2
59.05661	0.2
69.94911	0.8
85.44702	0.2
93.03463	0.7
117.03411	0.2
119.05021	92.1
120.05359	3.9
137.02411	0.5
161.02330	0.3
163.03999	100.0
164.04337	5.3
165.05676	0.2
191.05617	0.4
205.05142	0.2
263.55377	0.2
325.09247	15.5
326.09647	1.5
375.06888	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94628	0.2
57.03461	0.2
59.01370	0.5
70.23419	0.3
70.23779	0.4
71.01388	0.4
76.03450	0.2
80.97994	0.2
85.02951	0.3
85.45872	0.2
89.02436	0.5
91.56889	0.2
93.03461	0.6
93.44424	0.2
117.03448	0.2
119.05025	90.4
120.05359	3.8
140.31087	0.2
149.04533	0.8
163.04005	100.0
164.04344	5.1
175.95087	0.2
191.05554	0.5
195.13857	0.7
222.11432	0.2
228.70889	0.2
278.51038	0.2
325.09265	19.9
326.09622	2.1
349.15622	0.2
403.19775	0.7
519.16888	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25188	0.3
61.98820	1.6
65.03955	0.7
67.01900	0.5
68.99812	0.7
69.03457	2.8
70.76376	0.3
70.86680	0.8
80.75101	0.3
81.03458	0.6
81.89921	0.3
83.01392	1.6
84.02156	1.1
88.06571	0.3
93.03461	2.6
94.87841	0.3
95.01385	6.3
95.05064	0.4
97.02956	0.7
105.03474	0.5
107.05034	1.1
108.02177	1.0
109.02953	13.1
110.03326	0.4
111.00895	0.6
115.05544	0.4
116.92851	0.9
119.05016	0.5
121.02957	10.6
122.03748	4.6
123.00876	2.6
123.04523	7.0
124.01636	1.2
125.02454	3.0
130.04260	0.4
131.05009	1.3
133.02916	0.6
133.06577	1.2
134.03731	0.9
135.04559	2.2
136.01660	16.0
137.02449	26.0
138.02847	1.1
139.00351	0.3
143.05013	0.6
145.02913	0.9
146.03728	1.0
147.04547	2.5
149.02444	2.5
149.06110	0.7
149.99620	0.5
150.03291	0.5
151.00409	0.3
151.04008	12.6
152.01138	0.6
152.04347	0.7
153.01917	0.4
154.02748	0.5
158.03699	1.3
159.04507	3.6
160.05278	0.7
161.02429	2.6
161.06046	1.6
162.03197	1.3
163.04033	1.6
164.04782	0.5
165.01875	0.3
165.05606	0.4
171.04494	0.7
173.06084	0.8
174.03223	0.8
175.03999	7.4
176.04781	16.1
177.01913	1.3
177.05484	2.3
178.02711	0.3
179.03491	0.8
181.05070	0.4
186.03217	0.3
187.04004	6.8
188.04553	0.8
189.05559	2.1
190.02733	0.7
190.06348	3.1
191.07056	1.1
192.04248	0.5
194.02560	0.3
199.03964	0.3
201.05560	0.7
203.03383	1.7
203.07159	0.8
205.05026	2.1
205.08659	0.3
208.03734	0.4
211.07579	0.6
213.05638	0.5
215.03654	0.3
217.05019	0.4
218.05852	1.6
219.06461	0.4
225.09274	0.6
225.49673	0.3
226.09949	0.9
233.08153	1.3
235.07684	0.3
235.45253	0.3
238.06119	0.4
239.07141	1.3
239.09521	0.3
253.08682	3.5
254.09344	1.2
256.07614	0.4
267.06714	0.8
269.11816	0.9
279.06619	1.9
280.07278	0.5
281.08032	0.4
282.08923	0.5
284.17856	0.3
284.93613	0.3
293.08279	1.5
294.08948	1.7
295.09683	0.6
299.12878	0.8
309.11249	0.6
311.09177	0.7
312.10043	1.3
313.10632	0.5
327.08881	0.4
327.12332	3.1
328.12997	0.6
339.12213	0.4
341.06519	1.3
341.10294	1.9
342.11023	4.3
343.11829	24.6
344.12186	2.8
355.08145	0.8
356.08862	1.0
357.13412	63.4
358.13770	6.9
371.11322	100.0
372.11694	11.6
373.12845	3.3
374.13126	0.4
568.10278	0.4
701.25903	0.4
711.24365	2.6
712.24890	0.6
729.24713	0.7
758.07794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24018	0.3
57.90679	0.3
61.98827	1.9
65.03958	0.6
67.01878	1.0
68.99802	0.6
69.03447	3.3
69.87206	1.4
71.01404	0.4
71.68050	0.3
74.72936	0.3
83.01374	1.4
84.02196	1.3
93.03461	3.0
95.01393	6.7
95.05012	0.3
96.01713	0.5
97.02956	0.8
98.19997	0.3
105.03446	0.4
107.05015	0.8
108.02168	2.3
109.02953	13.8
110.03291	0.7
111.00864	0.6
115.05501	0.6
117.03471	0.3
119.05008	0.8
121.02956	12.1
121.06529	0.3
122.03793	4.9
123.00881	7.9
123.04526	6.7
124.01170	1.1
124.01750	0.7
125.01438	0.4
125.02450	3.1
131.05022	1.5
133.02986	0.7
133.06615	1.4
134.03763	0.5
135.04524	2.6
136.00589	0.6
136.01657	16.7
137.02446	28.2
138.02863	1.1
143.05026	0.8
145.02943	0.9
145.06578	0.4
146.03725	1.2
146.57449	0.3
147.04524	3.4
149.02461	2.1
149.06094	0.9
149.99586	0.5
150.03189	1.0
151.04001	15.3
152.01105	0.4
152.04379	0.8
153.01872	0.5
154.02696	0.7
158.03734	1.1
159.04500	4.0
160.05284	0.8
161.02438	2.9
161.06065	2.1
162.03191	1.2
163.04012	1.7
164.04639	0.5
165.05554	0.7
171.04446	0.5
173.06042	0.9
174.03223	0.7
175.03992	9.2
176.04773	16.2
177.01941	1.3
177.05498	2.1
178.02676	0.6
179.03485	0.7
186.03165	0.6
187.03996	7.4
188.04611	0.9
189.05547	2.1
190.02702	1.2
190.06340	3.7
191.03381	0.6
191.07037	1.1
192.04398	0.5
201.05559	0.7
202.06416	0.4
203.03470	1.4
203.07120	0.8
204.04193	0.3
205.05049	1.8
205.08643	0.6
208.03764	0.7
209.06113	0.4
211.07617	0.9
213.05501	0.4
217.05019	0.5
218.05864	1.9
220.07301	0.4
226.09940	0.8
228.07663	0.3
233.08214	1.9
238.06204	0.3
239.07254	1.4
240.07146	0.3
241.08739	0.3
251.07106	0.5
253.08688	2.9
254.09409	1.0
256.07376	0.6
258.37851	0.3
267.06564	0.5
269.11798	0.6
278.05795	0.6
279.06598	2.2
280.07117	0.4
293.05255	0.4
293.08197	2.2
294.08853	1.8
295.09705	0.4
297.07974	0.3
299.12689	0.7
309.11276	0.7
311.09116	0.3
312.10004	1.6
313.07034	0.4
313.10623	0.6
326.11377	0.4
327.08658	0.7
327.12390	3.5
341.06470	0.9
341.10266	1.2
342.10986	5.4
343.11829	26.2
344.12097	2.7
353.10260	0.4
355.08112	1.3
356.08920	1.0
356.12900	0.4
357.13406	61.4
358.13742	6.8
371.11331	100.0
372.11691	13.2
373.12668	3.8
374.12741	1.2
387.10846	0.4
541.23846	0.3
683.25537	0.4
701.25500	0.6
711.24615	2.9
712.24634	0.8
729.24701	5.3
730.24988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	1.2
65.03955	0.5
67.01875	1.0
68.99819	0.4
69.03458	1.6
71.01380	0.5
73.32864	0.2
79.05519	0.3
81.03436	0.3
83.01379	1.8
84.02168	0.5
91.05500	0.2
93.03449	1.2
95.01379	2.3
97.02962	0.6
98.19862	0.6
107.01380	0.4
107.05054	0.5
107.76057	0.2
108.02136	0.8
109.02951	13.7
110.03323	0.4
111.00853	0.3
113.56246	0.2
115.05523	0.2
119.04984	0.6
121.02953	5.1
122.03783	1.7
123.00883	2.4
123.04532	3.4
124.01648	1.1
124.04813	0.3
125.02451	3.5
130.04240	0.2
131.05035	1.0
133.02893	0.4
133.06583	1.0
135.04492	0.8
136.01662	10.4
137.02451	23.8
138.02864	0.7
139.00357	0.4
143.05025	0.5
145.02943	0.9
145.06609	0.3
146.03702	0.8
147.04530	1.9
149.02435	2.0
149.06114	0.6
149.99606	0.6
150.03304	0.3
151.00359	0.4
151.04004	6.9
152.01051	0.3
152.04370	0.2
153.01978	0.4
154.02701	0.5
158.03749	0.7
159.04514	3.0
160.05214	0.4
161.02461	1.7
161.06052	1.5
162.03163	0.7
163.04041	1.1
173.02464	0.4
173.06088	0.6
174.03152	0.5
175.03990	4.8
175.61954	0.2
176.04782	6.5
177.01904	0.8
177.05589	1.9
177.23734	0.2
179.03526	0.3
182.00768	0.2
187.04001	7.6
188.04468	0.7
189.05573	2.0
190.02725	0.7
190.06384	2.2
191.03680	0.3
191.05473	0.3
191.07127	0.4
192.04381	0.3
201.05553	0.5
202.02556	0.2
203.03531	1.6
203.07156	0.3
204.04137	0.4
205.05028	2.3
211.07700	0.4
217.05103	0.6
218.05754	1.8
220.03734	0.3
231.02821	0.3
233.08096	1.5
239.07054	0.4
241.05231	0.3
242.08678	0.3
251.07056	0.3
253.08760	0.6
254.09375	0.3
267.06635	0.7
273.14847	0.2
279.06573	0.9
280.07285	0.3
281.08325	0.3
283.09344	0.3
293.08218	0.6
294.08948	0.8
295.06189	0.3
295.09366	0.4
300.91519	0.2
310.08444	0.2
311.09372	0.3
312.10016	0.6
327.08606	0.6
327.12372	1.6
328.09192	0.3
339.12683	0.2
341.06577	0.9
341.10193	0.3
342.10977	1.9
343.11841	3.5
355.08273	1.0
356.08875	1.4
357.10123	0.8
357.13412	20.9
358.13815	2.4
371.11313	100.0
372.11667	12.5
373.12875	2.3
374.13028	0.2
535.70679	0.2
708.00391	0.3
711.24091	1.1
729.25690	0.7
747.51105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2551
Annotation	threo-Carolignan E
Peak:m/z	Relative Intensity
51.02364	0.2
61.98832	0.6
65.03970	0.2
67.01904	0.6
68.99813	0.8
70.88545	0.2
71.08578	0.2
71.08927	0.3
93.03454	0.4
95.01393	24.0
96.01707	0.4
97.02987	0.3
98.00114	0.7
105.03505	0.2
107.05039	0.5
108.02212	0.9
109.02959	4.0
110.00125	0.3
111.00889	2.7
112.01241	0.2
116.64668	0.2
116.92901	0.2
121.02959	1.6
122.03740	0.6
123.00894	100.0
123.04505	0.8
124.01247	1.8
124.01703	1.1
125.02463	0.6
128.01178	0.6
129.99103	0.6
133.02972	0.6
135.04568	1.5
136.01671	14.5
137.02480	2.4
137.06107	1.4
137.54649	0.2
138.03217	0.4
147.04564	0.6
148.02896	0.2
149.02446	0.7
149.06038	0.4
150.03265	0.2
151.04015	12.4
152.04353	0.5
159.04491	0.4
160.05244	0.2
161.02405	0.5
161.06091	0.2
162.03210	0.7
163.04048	1.4
165.05597	0.8
175.04012	0.7
177.01929	0.7
177.05559	0.8
179.03479	0.5
191.03601	0.3
193.05009	0.4
205.05101	0.5
206.05855	0.2
261.57001	0.2
289.86111	0.2
299.09277	0.3
301.10947	0.3
313.07120	0.4
327.08844	0.5
329.10202	0.3
341.06714	0.5
342.11108	0.6
343.11844	2.9
355.08130	0.4
357.09692	0.2
357.13348	1.0
371.11343	7.4
372.11932	1.7
373.12775	0.6
478.12576	0.4
480.14270	6.4
481.14874	0.9
701.26349	1.2
729.25537	49.3
730.25836	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	729.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95972	0.3
61.98830	1.6
65.03970	0.6
67.01891	1.0
69.03447	1.6
71.01362	0.5
71.54435	0.3
79.83704	0.3
81.03444	0.4
83.01385	1.3
84.02168	0.7
93.03452	1.6
93.72841	0.3
95.01379	2.5
97.02943	0.4
105.03461	0.4
105.07112	0.4
107.05021	0.5
108.02165	0.5
109.02947	12.0
110.03252	0.5
115.05544	0.3
119.05025	0.6
121.02961	5.4
122.03736	2.0
123.00881	2.1
123.04518	3.2
124.01672	1.6
125.02448	3.0
131.05011	1.0
133.06580	1.1
134.03751	0.5
135.04515	1.1
136.01659	9.6
137.02443	21.8
138.02893	0.4
143.05092	0.4
145.02966	0.8
146.03731	1.2
147.04518	1.9
149.02452	1.8
149.06128	0.7
149.99469	0.4
151.00375	0.3
151.04002	7.5
152.04323	0.5
153.01874	0.3
154.02782	0.6
158.03712	1.0
159.04510	3.1
161.02403	1.7
161.06071	1.3
162.03223	0.9
163.03966	1.3
173.06068	0.8
174.03229	0.7
175.03996	4.7
176.04790	7.2
177.01910	1.2
177.05539	1.8
179.03471	0.4
186.03195	0.5
187.03984	5.9
188.04691	0.5
189.05574	1.7
190.02711	0.5
190.06296	2.1
191.03526	0.3
191.07079	0.7
192.04335	0.6
203.03517	1.2
203.07137	0.3
205.05058	1.6
205.08672	0.3
206.05443	0.3
208.04037	0.4
211.07684	0.4
213.32454	0.3
217.05064	0.4
218.05817	1.5
220.41052	0.4
233.08205	1.4
239.07063	0.6
253.08722	1.3
254.09164	0.4
267.06653	0.3
278.05798	0.5
279.06662	0.9
281.07883	0.3
291.06717	0.3
293.08197	1.0
294.09024	1.0
295.06256	0.4
295.09726	0.4
309.11307	0.4
312.10010	0.7
313.07187	0.5
325.10779	0.4
327.08920	0.6
327.12283	1.7
341.06564	1.0
341.10309	0.7
341.90924	0.3
342.11053	2.6
343.11862	5.5
344.12115	0.6
355.08118	1.3
356.08884	1.1
357.09686	1.7
357.13406	25.2
358.10489	0.3
358.13858	2.7
371.11316	100.0
372.11658	12.5
373.12906	2.1
646.74121	0.4
711.24164	0.9
729.26550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81615	0.7
57.03440	1.0
59.01376	2.1
67.01891	0.8
68.88453	0.6
69.03460	1.1
69.62433	3.1
69.62843	1.3
71.01385	1.8
71.75019	0.7
81.02447	0.8
81.03456	8.8
81.31834	0.7
83.01382	10.3
85.02962	2.2
93.03458	2.4
95.01420	1.1
95.05035	10.9
97.02925	4.8
99.04511	3.9
99.64110	0.7
107.05035	2.6
108.02179	0.9
109.02975	4.6
111.00877	6.4
111.04535	1.0
113.02446	0.9
119.04997	1.7
119.37817	0.7
121.02940	2.4
122.03717	1.4
123.04530	18.1
125.01530	1.1
125.02446	19.0
135.00876	1.0
135.04543	6.1
137.02464	3.5
137.06085	14.4
138.06497	0.9
139.04028	6.3
141.05554	1.4
147.04448	1.1
149.02448	2.5
149.06079	2.9
150.03249	1.1
151.00423	0.7
151.04016	8.0
153.01947	2.4
155.03481	1.2
159.04486	0.8
161.06068	1.1
163.00380	0.7
163.03999	3.3
164.04707	1.1
165.01929	3.1
165.05577	4.8
167.03499	52.7
168.03822	3.1
175.03961	1.5
177.01944	1.0
177.05568	5.3
179.03502	10.6
179.07062	0.9
180.04094	1.3
181.05029	4.3
189.01843	0.9
189.05612	1.5
191.03482	3.3
192.04161	1.3
193.05051	6.5
195.02971	6.6
197.04590	3.8
203.03506	1.0
205.01361	1.0
205.05069	2.2
206.02165	2.0
207.03059	4.6
207.06645	1.0
209.04555	83.1
210.04935	5.1
217.05077	1.6
219.03027	4.3
220.03561	1.8
221.04517	10.8
223.06172	1.2
225.03966	1.6
227.51978	0.8
233.04492	4.8
235.06137	2.1
237.04033	6.6
239.05602	28.9
240.06033	1.2
247.06223	0.8
248.03297	1.2
249.04044	22.6
251.05620	19.4
252.05928	1.5
256.69708	0.7
261.04050	3.0
263.05624	2.7
267.04962	0.9
279.05099	66.0
280.05438	5.1
281.06717	6.1
291.05115	3.9
309.06158	33.0
310.06442	2.0
311.07681	2.1
329.08755	23.2
330.09064	1.6
339.07074	0.8
369.08249	10.7
381.08313	7.3
382.08655	1.5
399.09317	100.0
400.09702	9.6
489.10226	4.5
609.14709	15.5
610.15149	2.9
711.17743	2.1
729.18762	17.1
730.19287	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	729.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01711	0.8
57.03455	1.4
59.01374	2.5
68.35458	0.8
69.28571	2.6
69.28992	4.7
71.01381	2.6
75.94331	0.9
79.05530	0.8
81.03464	8.6
83.01378	10.1
83.01814	0.8
85.02967	1.5
93.03490	1.7
95.01384	2.0
95.05020	11.2
97.02970	4.2
99.04515	3.1
107.05035	2.6
108.02168	1.1
109.02944	5.3
111.00880	5.2
111.04483	1.0
113.02476	2.0
119.04987	1.3
121.02948	2.5
122.03728	1.9
123.04524	21.3
124.04919	0.9
125.02438	19.9
126.02775	1.0
133.06567	1.2
135.04506	5.9
137.02458	3.8
137.06079	13.2
139.03999	7.0
141.05571	1.0
147.04541	2.1
149.02475	1.5
149.06102	3.5
151.03996	8.0
153.01955	3.0
161.06100	2.4
163.00392	1.0
163.03998	2.6
164.04720	1.1
165.01932	3.3
165.05611	6.1
167.03497	58.8
168.03825	2.7
177.02000	1.1
177.05557	6.9
179.03500	12.1
180.04182	1.0
181.05031	4.2
189.05525	2.5
191.03503	3.7
193.05008	7.6
195.03001	6.4
197.04613	4.1
199.48004	0.8
203.03529	1.1
205.01460	1.5
205.05032	2.5
206.02223	3.2
207.02994	6.8
207.06561	0.9
209.04547	100.0
210.04948	5.3
217.05101	1.3
219.03009	5.1
221.04515	12.9
223.06302	0.9
225.04025	1.8
233.04500	6.0
235.06041	1.9
237.04070	8.3
239.05611	36.2
240.05933	1.8
247.05946	0.9
248.03230	1.4
249.04039	31.3
250.04312	1.3
251.05591	20.8
252.06055	1.5
261.04016	4.5
263.05630	3.2
267.05145	1.3
279.05103	71.8
280.05490	5.3
281.06693	6.9
286.40665	0.9
291.05182	5.1
309.06168	37.0
310.06525	3.5
311.07797	2.7
321.06357	1.1
329.08786	26.0
330.09052	1.2
351.07178	1.2
369.08231	9.9
381.08167	5.6
393.14789	0.9
399.09305	99.7
400.09656	9.7
432.43832	0.8
489.10382	3.6
578.51538	1.0
591.13495	1.7
609.14496	14.5
610.14972	2.3
639.15460	1.4
729.18939	12.9
730.19141	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	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66470	0.5
59.01377	17.1
61.98836	2.1
63.99261	0.3
69.61784	0.3
70.03883	1.6
71.01378	2.6
73.02937	0.5
74.07596	0.3
78.95921	1.5
79.52525	0.3
81.03402	0.3
85.02975	0.6
87.00833	0.6
89.02450	1.5
98.20674	0.3
101.02462	2.2
113.02447	1.1
125.09756	1.0
127.11275	1.3
145.41351	0.3
146.53557	0.4
152.99570	1.5
161.04619	1.1
171.10260	85.0
172.10620	3.6
209.11867	0.6
235.08220	5.1
253.09244	6.9
255.23369	2.3
277.21698	100.0
278.22028	11.5
278.24918	0.7
281.24829	1.3
382.44781	0.4
407.19507	0.7
513.30548	1.7
637.36566	0.7
691.37994	0.6
709.39227	0.9
727.40186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19633	0.7
53.28390	0.7
55.70531	1.0
57.03445	0.9
59.01381	9.0
61.14888	0.6
65.00291	1.0
68.99822	0.9
69.03436	0.8
69.63145	4.1
71.01390	3.4
72.65240	0.7
72.99308	1.3
73.02946	0.8
81.03462	8.0
83.01385	11.9
84.47707	0.8
84.76043	0.7
85.02962	4.2
87.00878	1.5
88.82549	0.8
93.03462	3.5
95.01382	1.3
95.05029	9.3
97.02952	4.2
99.04523	2.4
101.02424	1.6
107.05034	3.5
108.02197	1.1
109.02978	3.8
109.06585	1.1
111.00899	7.0
111.04504	1.3
113.02441	1.8
119.05038	2.1
121.02938	2.8
122.03761	1.7
123.00909	1.1
123.04523	19.3
124.01671	0.8
125.02449	18.4
131.04993	1.0
135.04533	5.9
137.02444	5.0
137.06087	12.1
139.04033	5.3
141.05603	1.3
147.04495	1.4
149.02438	3.7
149.06033	4.3
150.03142	1.1
151.00389	1.9
151.03996	8.1
153.01945	2.3
154.01457	1.3
155.03482	1.5
161.02414	0.8
161.06111	1.0
163.04007	3.4
164.04730	1.6
165.01961	3.3
165.05592	4.7
167.03491	55.8
168.03831	3.1
175.04030	1.6
177.01904	1.9
177.05588	6.2
179.03488	11.9
179.07030	1.4
180.04097	1.6
181.05029	3.1
189.05400	1.1
191.03441	3.6
193.05046	7.9
195.02974	6.4
195.06651	1.1
197.04532	3.5
203.03510	0.9
205.01363	0.9
205.05093	2.8
206.02216	2.8
207.02940	6.5
208.03569	0.7
209.04546	84.3
210.04909	4.7
217.05009	2.2
219.02943	6.1
220.03731	1.7
221.04541	9.1
222.05092	1.1
223.06203	1.1
225.04016	2.2
233.04549	5.1
235.06105	3.2
237.04024	6.4
239.05600	30.4
239.16486	1.9
240.05992	2.3
248.03368	1.8
249.04018	24.8
250.04445	3.2
251.05597	18.2
252.05907	2.3
261.01364	0.9
261.03876	3.7
262.04663	0.9
263.05533	2.1
265.07050	1.3
267.05005	1.2
269.10196	1.1
279.05078	74.6
280.05380	5.1
281.06714	5.4
282.06894	1.4
291.05060	3.2
292.05325	1.1
309.06149	36.3
310.06650	2.1
311.07687	2.6
321.06085	1.6
329.08740	21.6
330.09042	1.9
369.08240	11.0
370.08289	1.0
373.07843	1.1
381.08313	8.0
382.08557	1.2
399.09302	100.0
400.09598	11.4
489.10144	5.0
591.13403	1.8
609.14587	14.4
610.14807	2.7
639.16364	1.0
667.08862	1.0
711.17889	1.0
729.18268	10.3
730.19287	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	727.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44773	0.3
59.01378	13.9
61.98829	1.7
70.09594	1.2
71.01381	1.9
73.02922	0.3
75.34578	0.3
78.95905	0.8
85.02946	0.5
86.01048	0.3
89.02458	0.9
101.02463	1.9
113.02464	0.9
119.03507	0.3
125.09720	0.5
127.11288	1.5
152.99576	1.1
153.09167	0.6
154.37837	0.3
161.04538	0.8
171.10265	100.0
172.10591	4.7
184.39433	0.3
235.08199	2.0
253.09251	5.8
255.23311	1.6
257.56738	0.4
275.20013	0.4
277.21707	52.8
278.22076	5.2
407.19174	4.1
513.30414	0.5
709.38623	0.7
727.40271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76373	0.6
53.79694	0.5
54.81019	0.5
55.01877	1.2
57.03448	1.3
58.00583	0.6
58.21015	0.6
59.01382	19.9
61.98839	3.3
68.06296	0.5
69.03462	0.8
69.93887	2.3
71.01386	9.9
72.99294	1.4
73.02945	3.4
78.87442	0.5
80.33103	0.5
81.03461	0.5
83.01374	2.7
85.02951	8.1
86.00111	0.8
87.00887	1.6
89.02451	1.2
93.03464	0.9
95.01387	0.9
96.95990	0.7
98.20609	0.6
99.00871	1.7
101.02434	5.9
108.25314	0.6
109.02935	0.8
111.00900	2.7
111.22811	0.5
112.01700	0.9
113.02443	3.1
119.03455	0.6
119.05006	0.8
123.04559	0.7
124.01649	0.9
125.02464	2.2
129.01950	2.0
132.05809	16.1
133.06592	0.6
134.03740	0.8
135.04517	0.6
135.36719	0.5
137.02371	0.7
141.01892	0.8
164.04774	7.6
167.03503	1.2
173.01044	0.8
176.04880	0.6
193.05035	1.0
223.06218	0.6
243.17537	2.3
255.17561	1.5
271.17090	0.9
273.18597	57.4
274.18927	6.8
275.20129	1.7
297.18793	0.7
299.48605	0.6
313.03308	1.0
315.19608	1.8
317.17529	1.1
356.98141	0.6
417.22824	11.5
418.23029	2.1
435.23856	65.4
436.24194	9.1
461.21964	0.8
477.24969	20.1
477.31927	1.0
478.25076	3.3
478.45996	0.6
479.22867	47.8
480.23196	7.2
504.60748	0.6
521.23914	100.0
522.24268	18.9
683.28589	0.7
727.26831	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42778	0.3
58.43059	0.3
59.01378	0.4
61.98830	2.1
65.00325	0.3
65.03941	0.3
67.01866	0.5
68.99821	1.1
69.03424	0.3
70.39467	0.9
71.01360	0.3
71.51425	0.2
75.26759	0.3
77.10522	0.2
79.01919	0.4
80.17550	0.2
83.01376	0.4
89.03928	0.3
91.01917	0.3
93.03481	1.9
95.01385	23.5
96.02225	0.4
97.02963	0.5
98.00089	0.6
103.05569	0.4
105.03458	0.8
107.05045	0.9
108.02170	8.2
109.02958	8.9
109.30296	0.3
110.00065	0.4
111.00875	4.1
117.03450	0.4
119.05026	1.1
121.02950	10.9
122.03760	7.2
122.04631	0.4
123.00882	100.0
123.04501	1.7
124.01210	1.7
124.01696	1.7
125.02446	4.8
128.01147	0.9
129.99088	0.6
131.05055	0.5
133.02956	1.0
133.06650	0.6
134.03773	0.4
135.00883	5.5
135.04518	9.6
136.01669	3.3
136.05032	0.3
137.02441	7.7
137.06078	1.6
138.03235	1.6
143.79878	0.3
145.02913	0.3
147.04520	1.8
148.01736	0.6
148.05312	0.5
149.02419	2.4
149.06064	1.2
150.03207	6.0
151.03975	2.6
152.04698	0.3
159.04497	0.8
161.02412	1.0
161.06096	0.8
163.04004	2.3
164.04776	0.6
165.01939	0.4
165.05551	1.4
173.02373	0.3
174.03244	0.5
175.03993	2.3
176.04532	0.3
177.01945	1.6
177.05560	1.5
178.02727	3.3
178.06290	0.3
179.03438	0.5
179.07167	0.9
187.03983	1.5
187.13402	0.2
189.05594	0.7
191.03529	0.3
193.05020	0.5
197.06053	0.3
201.05501	0.3
205.05034	0.8
206.05623	0.4
207.06538	0.6
209.06120	0.3
212.08391	0.3
255.06581	0.6
269.08362	0.3
271.06207	0.3
271.09735	0.5
273.07721	0.3
283.09775	0.3
285.07883	0.4
285.11182	0.5
298.08600	0.3
299.09207	0.4
301.10776	0.4
312.02460	0.3
313.07382	0.6
313.10895	1.4
327.08902	0.3
327.12537	0.3
329.10156	0.5
340.05374	0.5
340.09491	8.9
340.13513	0.6
341.06610	0.4
341.10229	3.0
342.11023	4.6
343.11835	3.7
344.12363	1.3
355.08160	0.5
355.11905	2.7
356.12460	0.4
371.11325	20.5
372.12073	28.3
373.12466	2.9
376.11667	1.3
393.09763	0.3
404.11136	0.3
409.12988	0.8
435.10870	1.0
461.08350	0.4
463.10294	0.3
476.11044	0.8
478.12634	13.2
479.13031	1.8
699.24542	1.9
700.24908	0.4
727.23907	53.6
728.24261	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	727.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	1.9
68.99825	0.8
71.54152	0.6
71.63096	0.6
84.14796	0.6
86.17139	0.6
93.03471	1.5
95.01392	24.8
95.09698	0.6
96.01704	0.7
99.00843	0.7
107.05049	1.0
108.02172	4.7
109.02969	5.6
110.03326	0.6
111.00881	3.8
116.92852	1.5
117.03485	0.7
121.02962	12.1
121.03780	1.2
122.03808	3.3
123.00890	100.0
123.04527	1.5
124.01249	2.6
125.02451	2.3
128.01161	0.8
133.02986	0.9
134.17921	0.7
134.89500	1.1
135.00897	2.4
135.04547	5.7
136.01668	1.2
137.02446	3.9
137.06110	1.3
138.03230	0.7
147.04498	1.1
149.02451	1.8
149.06023	1.0
150.03229	2.7
151.03978	1.9
161.02432	0.7
162.06926	0.7
163.04010	1.8
165.05637	1.3
175.03984	1.1
177.01909	0.8
177.05609	0.8
177.09247	0.7
178.02708	2.0
259.07574	0.7
313.07245	1.1
313.10495	0.7
340.09534	8.5
341.10068	2.6
342.11084	1.8
343.12061	3.1
347.99741	0.6
355.08060	1.0
355.11938	2.3
371.11349	12.2
372.12061	11.4
373.12485	1.4
376.11334	0.8
478.12662	7.1
479.12930	1.6
727.23962	54.6
728.24316	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	727.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.0
57.03447	6.4
59.01378	32.9
61.42376	1.0
65.03954	1.1
66.16792	0.8
67.01881	2.6
68.99814	2.3
69.03458	11.1
71.01380	16.0
71.42519	1.3
71.60381	0.8
72.99310	2.3
73.02946	13.8
79.01885	1.2
81.03453	4.4
83.01389	4.1
83.05016	2.5
85.02953	59.3
86.03279	1.3
87.00876	100.0
88.01218	1.3
89.02457	1.0
93.03456	6.1
95.01385	20.9
97.02955	25.2
98.03295	1.2
98.19936	0.8
99.00883	1.9
99.04526	3.7
101.02440	2.1
103.04025	9.0
107.05037	1.1
108.02164	1.8
109.02959	8.9
111.00849	7.1
111.04536	1.4
112.82919	0.9
113.02444	20.2
115.00377	12.5
115.03994	1.8
119.05022	2.7
121.02966	1.5
123.04517	1.7
125.02454	3.5
127.04015	15.5
129.01990	1.4
137.02440	5.1
139.00372	12.7
139.03978	0.9
141.05524	1.2
145.05086	6.5
151.04002	1.2
153.01929	1.2
155.03500	2.8
157.01428	8.6
163.04027	3.2
163.06131	1.1
167.03503	1.0
169.05058	3.7
171.02995	1.7
173.04568	1.5
175.02480	47.3
176.02815	2.4
181.01436	2.1
191.05589	2.8
199.02477	36.6
200.02768	1.2
217.03522	19.6
241.03433	1.9
244.80196	0.9
285.06125	2.5
303.07205	17.8
304.07513	1.7
321.08243	7.4
336.87204	1.0
345.08240	9.3
387.09332	17.8
388.09409	2.0
405.10306	7.8
443.06830	0.9
479.82697	1.0
521.38580	1.0
563.12488	2.1
623.14435	6.5
685.17975	2.4
709.18311	16.1
710.18512	3.4
727.19183	25.3
728.19708	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	727.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74529	0.5
57.02168	0.4
57.03440	1.4
59.01371	2.0
68.99852	0.5
69.03484	0.4
69.38310	3.6
71.01376	1.1
72.07478	0.4
73.02963	0.4
79.05540	0.4
81.03453	6.7
83.01383	6.1
85.02943	3.6
87.00871	0.5
93.03445	2.2
95.01378	0.6
95.05027	8.9
97.02955	2.7
99.04517	3.1
107.04984	0.6
108.02213	0.6
109.02975	1.2
111.00861	0.6
111.04536	0.8
113.02453	0.9
119.05058	1.1
121.02950	1.9
122.03720	1.5
123.00870	0.5
123.04535	12.9
124.04836	1.0
125.02456	15.9
126.02803	1.0
129.01932	0.5
131.05057	0.5
134.03749	0.7
135.04521	1.8
137.02437	3.0
137.06091	13.9
139.04002	3.4
141.05588	1.6
145.65021	0.5
147.04533	1.1
149.02440	1.7
149.06140	1.2
151.00331	0.8
151.04048	1.6
155.03554	1.5
161.02463	0.9
161.06139	0.5
163.00410	0.6
163.04054	0.9
164.04721	1.1
165.01927	1.7
165.05542	4.1
166.02736	0.7
167.03500	46.4
168.03839	1.9
173.04607	1.2
175.03978	1.1
177.01999	1.0
177.05577	2.0
178.02766	0.4
179.03511	9.7
180.04016	0.6
181.05060	2.3
183.02997	0.4
190.99901	0.4
191.01974	0.7
191.03517	3.8
191.05499	0.9
192.04140	0.5
193.05074	5.5
197.04636	2.7
203.03531	1.5
205.01419	1.4
205.05075	2.0
206.02211	4.0
206.08192	1.0
207.03004	5.4
207.06718	0.6
208.03352	0.5
209.04555	100.0
210.04900	6.3
217.05095	0.7
217.47739	0.5
218.02174	0.8
219.02992	10.3
219.06647	0.4
220.03766	2.4
221.04556	12.2
222.05020	0.8
223.06068	1.0
231.02985	1.6
233.00963	0.4
233.04582	2.6
234.01660	5.2
235.02419	3.4
237.04066	0.8
239.05615	29.2
240.05962	1.7
247.02451	9.6
247.06323	0.5
247.23827	0.5
248.03226	4.3
249.04056	15.2
250.04417	0.6
251.05632	3.0
253.03575	0.8
259.02444	1.4
261.04062	1.8
267.04974	0.6
269.06656	0.5
277.03543	22.9
278.04010	2.4
279.05096	5.7
281.06552	0.8
291.05038	1.1
307.04584	8.2
307.07971	0.3
308.04758	0.7
309.05844	1.1
311.07870	2.2
319.04507	0.9
327.07275	0.7
329.08777	37.6
330.09088	3.4
349.05420	0.6
360.89801	0.5
367.06683	17.6
368.07080	1.9
397.07751	88.6
398.08081	8.6
399.09271	2.1
457.07544	2.4
487.08670	1.0
521.11786	1.0
544.14020	0.4
559.11292	0.6
570.74042	0.6
577.11981	9.4
578.12427	1.6
607.13440	1.5
679.15033	0.7
685.37793	0.6
697.16309	7.0
698.16559	1.6
724.44696	0.6
727.16199	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	725.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83551	2.8
57.03447	3.2
59.01383	43.2
61.98833	7.1
65.33624	3.0
71.01379	14.3
71.54588	3.1
73.02954	3.1
77.25831	3.0
83.01353	3.4
85.02959	8.7
95.06953	3.3
99.92591	5.0
100.45922	3.3
113.02457	5.3
116.92878	25.7
121.56231	2.6
124.01667	4.4
125.02464	3.2
143.03540	3.8
150.06772	4.4
163.07649	97.2
164.07928	6.0
293.62875	3.9
477.35571	16.3
621.40155	100.0
622.40448	23.6
639.41119	36.0
640.41260	5.4
681.42365	14.1
682.41602	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	725.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.8
59.01379	54.9
61.98824	5.8
69.03461	3.8
71.01391	3.9
75.41032	0.6
76.03610	0.8
78.95903	5.4
85.02946	1.6
85.06916	0.7
87.04501	1.3
89.02416	0.8
96.96929	0.8
101.02435	2.3
113.02415	1.8
152.99590	9.3
155.10727	1.3
171.00725	0.8
171.10289	8.0
199.09798	0.8
201.11319	1.7
204.29654	0.7
209.11812	10.5
210.12216	5.6
211.12418	1.1
225.11293	0.9
227.03232	0.8
227.12892	1.3
243.15942	8.6
253.21700	1.6
277.21704	100.0
278.22064	16.3
279.22415	4.7
318.58945	0.8
379.88437	0.9
382.23981	0.9
387.20206	12.9
388.20605	1.2
399.14032	3.6
405.21423	6.8
406.21777	1.1
453.15173	1.1
471.16440	1.8
489.17459	1.4
635.35858	2.3
665.41754	1.7
707.38159	3.5
725.38635	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	726.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16500	0.5
57.03447	31.0
58.03779	0.7
59.01379	3.6
61.98829	100.0
71.01377	2.5
71.54833	0.9
83.01383	0.8
85.02957	1.6
93.03498	1.1
99.04517	23.1
100.04883	0.7
101.02438	10.8
111.00877	0.7
113.02437	1.2
121.02966	2.0
123.04476	0.7
125.02447	16.7
134.03735	1.1
135.04556	1.3
136.01657	36.7
137.02492	1.5
143.03491	0.8
145.06543	0.9
151.04004	58.1
152.04355	2.4
161.02470	0.9
161.04567	1.3
163.03975	1.3
165.01955	0.6
165.05511	0.6
166.02695	0.7
175.07608	1.5
191.05629	3.0
284.03049	0.7
286.69925	0.7
341.10345	2.2
342.10788	4.7
357.13416	88.7
358.13647	11.2
442.45926	0.7
501.17468	1.9
504.16669	0.7
519.18530	5.3
538.44202	0.6
603.01514	0.6
657.05054	0.8
663.22980	7.6
664.23309	2.1
665.37311	0.8
666.37299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
57.03441	0.5
59.01378	100.0
60.01714	1.4
61.98836	0.4
70.32509	0.7
71.01379	7.4
72.99319	0.3
73.02947	4.3
83.01380	1.6
85.02948	5.6
87.00882	0.5
89.02441	1.4
95.01398	0.8
96.96010	0.3
97.02947	0.3
99.00864	1.4
101.02438	9.6
113.02444	4.1
113.03173	0.4
119.03548	0.5
125.02473	0.6
129.01941	0.5
133.02979	1.9
134.03508	0.3
135.04549	0.3
137.02473	0.5
147.11797	0.5
159.03044	0.8
161.02441	0.3
161.04532	3.5
164.18594	0.2
165.12833	0.5
173.04570	0.6
177.02010	0.8
178.02544	0.8
179.03487	0.5
191.02156	0.3
191.05557	0.3
193.05138	0.7
209.11836	3.6
210.12071	0.3
227.12883	0.3
230.41956	0.3
249.13417	19.2
250.13785	1.5
259.61795	0.3
260.87311	0.2
269.65146	0.2
291.14487	10.9
292.14786	1.3
301.86258	0.3
315.05008	0.3
369.10001	0.7
370.10132	0.8
371.10544	0.8
389.18118	8.9
389.22867	0.5
390.18820	0.9
436.81372	0.3
510.13345	0.3
601.83966	0.3
617.74591	0.3
725.22156	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03425	1.0
57.71759	0.7
59.01110	0.8
59.01382	8.9
61.98592	0.7
61.98831	8.8
69.03455	0.8
69.79894	0.6
69.96438	3.5
71.01379	8.8
72.99290	0.8
73.02950	3.9
74.99835	0.7
75.00865	2.8
75.98483	0.9
83.01383	8.2
83.05019	2.2
85.02946	4.6
87.00834	1.1
88.98809	2.1
89.02438	2.9
93.03457	2.0
95.01337	0.9
95.05053	1.0
97.02948	3.3
98.20006	0.9
101.02431	5.6
105.07097	1.0
107.05035	1.5
109.02942	1.0
109.06589	1.3
111.04548	1.1
113.02449	4.1
116.92837	1.0
119.05045	0.9
121.02946	4.6
121.06573	1.3
123.04520	1.4
123.08190	1.1
125.02444	3.4
133.10210	1.0
134.03732	1.0
135.04561	2.2
135.11806	17.8
136.01671	1.3
143.03398	0.9
145.02982	1.7
146.07410	0.9
147.04536	1.4
147.08063	0.7
151.04036	1.1
159.04561	0.8
159.08067	1.3
159.11812	2.4
161.04564	1.8
161.09726	10.9
163.03981	2.0
163.07648	1.9
165.02023	0.9
165.05516	0.7
172.05315	0.7
173.04585	0.9
175.04004	7.9
175.11263	1.9
177.12785	1.5
179.10776	100.0
180.11121	7.1
183.11682	1.0
183.25546	0.9
185.09776	1.6
188.04796	0.8
188.08302	0.9
189.12880	1.3
190.06393	3.6
191.05637	3.4
193.12315	0.9
201.09322	1.1
201.12857	2.7
203.10750	7.0
204.11133	1.0
205.08809	3.9
209.11827	1.3
211.75894	0.8
215.10789	1.5
219.10426	0.8
221.11852	2.9
222.05313	4.4
223.07637	1.3
223.09717	13.0
225.11311	1.1
227.10728	0.9
229.08665	5.0
231.10275	2.4
233.06126	0.9
235.07654	2.5
237.09209	1.5
239.07162	1.3
245.11858	2.9
247.07518	1.7
247.09792	6.1
249.05527	0.8
251.07137	3.0
253.08762	2.9
261.05542	1.9
261.11279	1.1
262.06424	1.1
263.07068	6.0
264.07809	1.6
265.10846	2.3
267.06595	2.1
268.07324	2.2
268.11023	0.8
269.08090	7.2
278.09515	0.9
279.06686	6.9
280.07251	2.1
281.08197	12.2
282.08789	1.8
283.09830	2.8
289.10873	7.6
291.06583	1.9
292.07410	2.2
293.08282	5.0
294.09042	4.8
295.09613	2.0
296.10489	2.9
297.07666	29.2
297.11008	1.8
298.07944	2.8
307.11923	5.5
308.10431	3.7
309.07697	42.4
309.11307	9.9
310.08023	4.6
310.11420	1.8
311.09155	1.6
312.10019	25.4
313.10443	3.7
323.09195	9.4
323.15060	2.1
324.06183	1.6
324.09988	26.7
325.10464	3.6
327.12347	85.7
328.12677	9.1
339.12344	76.1
339.16696	1.6
340.12692	8.0
349.12976	1.0
367.13947	40.2
368.14227	3.2
500.21811	0.8
593.29730	3.1
649.87488	0.7
653.31134	0.8
681.34570	1.5
725.27179	8.9
726.29187	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86404	0.7
55.01867	3.5
57.03431	3.5
58.00583	2.0
59.01377	40.3
60.01699	0.8
61.98825	9.4
63.54388	0.8
66.78202	0.8
69.03432	0.7
71.01382	61.9
71.55885	1.2
71.98280	0.8
72.01721	1.1
72.99297	3.2
73.02946	15.7
74.39002	0.7
75.00877	1.1
83.01378	6.1
85.02950	31.6
86.00089	2.2
87.00877	18.4
89.02445	29.0
93.03428	2.0
95.01379	5.5
96.95983	3.5
97.02934	1.6
99.00884	5.9
101.02444	38.8
109.02930	1.6
111.00817	1.9
113.02454	28.4
116.92820	1.3
117.03465	0.8
119.03494	11.1
121.02920	0.8
125.02431	2.6
129.01909	3.2
131.02534	1.4
131.03499	17.0
134.03764	1.5
135.04533	2.0
137.02444	2.0
138.03256	0.9
140.59151	0.8
143.03474	2.9
147.04501	0.8
149.02396	1.0
149.04559	1.2
150.03271	1.0
151.00357	1.0
151.04010	1.5
159.02954	3.9
159.04501	2.3
161.02504	1.0
161.04544	25.3
162.04845	1.0
163.04056	0.9
165.01942	0.9
167.03545	1.8
171.10207	1.1
173.04622	0.9
175.03963	2.0
177.01855	0.9
179.05611	24.9
188.01208	1.0
191.01924	1.6
191.05627	2.1
191.07199	0.7
193.05000	1.7
203.03511	15.2
204.03963	1.7
218.05830	16.9
219.06424	1.7
221.06641	40.8
222.07001	1.9
223.06009	2.0
227.03479	0.9
233.08202	9.8
234.08600	0.9
236.06924	1.0
251.88965	0.8
263.07715	10.8
264.07956	1.4
270.01730	1.6
271.02298	2.7
272.02679	1.1
284.03217	1.3
285.04129	1.2
299.01794	1.4
300.02417	2.3
301.03177	1.2
315.15961	0.9
316.28543	0.9
325.07062	1.3
335.05582	1.3
353.06628	7.0
367.10092	1.0
368.08936	7.3
369.09442	1.5
383.11371	20.2
384.11661	2.4
401.12503	0.9
433.92700	0.9
459.17947	1.4
461.07260	4.2
462.07584	4.2
471.18341	1.1
549.12982	0.9
563.17511	3.2
575.20032	0.8
654.73853	0.8
710.20776	1.4
725.22955	100.0
726.23181	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87503	0.3
57.03448	0.4
58.00600	0.3
59.01384	3.3
59.01661	0.5
60.99296	0.5
67.01900	2.1
68.76704	0.2
69.03455	0.5
71.01386	3.0
71.54440	0.4
71.54829	0.3
73.02932	0.8
81.03462	0.8
83.01387	0.4
83.05017	0.6
85.02950	9.3
87.00880	3.0
89.02456	0.4
93.03459	16.4
94.03811	0.3
96.95998	0.8
99.00888	0.4
99.04528	0.6
101.02445	1.0
107.05013	0.4
109.02943	1.1
111.00843	0.4
111.04517	3.0
113.02451	0.7
119.05051	0.8
121.02971	1.6
121.06580	0.8
123.04527	4.1
125.02415	1.0
127.04024	2.0
129.01978	0.4
133.02953	0.8
134.03755	1.4
135.04532	19.9
136.04861	0.9
137.02451	2.2
139.03967	0.5
149.02432	0.5
151.03955	0.3
153.05563	1.0
155.03459	1.8
161.02419	2.2
163.04030	0.6
165.04181	0.6
165.05562	8.3
166.05992	0.4
171.02980	0.5
173.04550	34.3
174.04889	1.4
179.03499	20.3
180.03847	1.1
191.05611	100.0
192.05959	5.6
193.06075	1.2
197.04547	2.0
223.06114	0.8
235.11954	0.6
271.02325	0.4
293.12589	0.4
298.58484	0.3
299.01920	0.9
315.05017	0.4
327.10916	2.9
353.08768	35.5
354.09134	3.0
371.09811	11.7
372.10229	1.2
397.17371	1.6
437.11179	0.4
519.11633	0.7
531.14923	0.8
532.15350	1.2
533.15619	3.6
725.17188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
61.98830	2.1
65.00329	0.8
70.84341	0.7
72.96918	0.7
107.01407	1.6
125.02493	1.1
133.02992	0.8
134.89468	0.7
137.02435	1.0
151.00357	4.9
152.06702	0.8
158.03719	1.5
161.02419	2.4
175.04089	1.0
183.04594	1.7
185.02481	1.7
186.03220	2.5
189.02005	1.2
193.05080	0.9
198.03281	1.2
199.04060	4.7
201.01895	1.1
214.02759	5.1
215.03470	1.9
227.03499	3.0
241.01448	18.9
242.02188	9.5
243.02959	9.1
245.00905	14.2
255.02986	4.3
262.68372	0.7
270.01694	27.7
271.02475	46.6
272.02786	4.1
273.00424	0.9
298.01193	11.8
299.01971	87.4
300.02472	7.6
301.03751	1.2
433.07462	1.2
461.07397	4.8
462.07809	0.9
562.20837	100.0
563.21210	17.8
724.26172	13.3
725.26636	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	724.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.4
59.30584	0.3
61.98822	0.9
65.00038	0.3
65.00336	0.8
70.86346	0.7
75.76609	0.3
83.01379	0.8
85.02931	0.4
86.49271	0.3
107.01373	1.5
110.83424	0.3
121.02956	0.4
122.75579	0.3
123.00883	0.6
125.02451	0.6
133.28389	0.3
143.04977	0.7
145.02934	1.1
147.00955	0.4
151.00362	4.7
151.04086	0.4
155.05011	0.9
157.02966	0.5
158.03722	1.6
159.00667	0.3
160.01585	0.4
161.02458	2.2
165.01897	0.3
170.03708	0.9
171.04539	1.0
172.01686	1.0
174.03169	0.6
175.03905	0.4
177.02031	0.4
177.84738	0.3
178.99834	1.4
183.04524	1.3
185.02394	1.0
186.03235	4.6
187.03857	0.6
188.71732	0.3
189.01930	2.2
190.02596	0.8
192.00685	0.8
198.03192	1.3
199.04019	3.1
201.01904	1.1
202.02858	0.3
203.03580	0.4
205.01340	0.3
213.01880	0.4
214.02707	10.1
215.03500	1.9
215.31865	0.3
216.00670	1.1
217.01393	1.2
218.02145	1.2
227.03485	3.1
229.01382	0.3
241.01422	35.6
242.02168	19.7
242.05817	0.4
243.02898	7.7
244.03419	0.6
245.00893	25.2
246.01312	1.7
255.02942	3.6
256.03748	0.4
269.04486	0.4
270.01678	58.0
271.02432	42.0
272.02802	2.9
273.00333	1.8
274.01199	0.8
283.02585	0.9
285.03998	0.6
297.04102	0.5
298.01190	30.4
299.01938	100.0
300.02423	10.0
301.03369	0.9
313.03445	0.7
341.02936	0.6
433.07565	2.2
461.07227	46.0
462.07739	6.4
463.08929	0.7
562.20807	50.0
563.21051	9.5
640.06665	0.4
724.26093	55.0
725.26404	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	724.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15212	0.4
59.01377	0.6
61.98836	2.1
63.02401	0.8
65.00340	1.1
67.35658	0.4
69.61959	0.9
69.62379	1.7
71.01379	0.4
74.62795	0.4
83.01404	1.1
85.02966	1.0
89.28441	0.4
102.00414	0.4
107.01383	1.3
109.02979	0.5
121.03030	0.7
123.00930	0.6
125.02468	0.9
133.02921	0.7
145.02965	1.3
147.00926	0.6
149.99619	0.4
151.00369	6.4
155.05013	0.6
158.03752	1.9
159.04535	0.6
161.02455	3.3
161.06087	0.5
162.29391	0.5
169.02945	0.4
170.03764	0.4
171.04518	1.3
172.01572	0.5
173.02333	0.5
174.03236	0.5
178.99889	1.6
183.04448	1.3
185.02499	0.6
186.03232	4.1
187.03900	0.9
189.01929	2.1
190.02725	0.4
197.02422	0.6
198.03198	1.6
199.03976	4.1
201.01959	1.6
203.03526	0.9
208.47177	0.4
213.01944	0.6
214.02722	8.9
215.03371	2.1
216.00633	1.7
217.01468	1.7
218.02170	1.5
221.28827	0.4
227.03516	3.6
229.01456	0.5
241.01430	32.6
242.02174	17.9
243.02991	10.1
244.03371	0.6
245.00911	23.4
246.01305	1.3
255.02962	4.5
269.04468	0.4
270.01700	50.8
271.02454	48.6
272.02850	3.3
273.00388	1.2
274.01050	0.6
282.01630	0.8
285.03757	0.6
297.03986	0.5
298.01196	22.7
299.01965	100.0
300.02463	11.9
301.03510	2.8
313.03809	0.6
341.03165	0.5
433.07773	1.3
461.07193	16.8
462.07840	3.6
463.08487	1.0
487.70508	0.4
562.20813	75.5
563.21179	14.7
606.38611	0.5
724.26111	53.9
725.26294	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	723.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.2
59.01653	0.5
60.73256	0.4
61.98832	8.3
62.28064	0.3
71.01395	2.5
71.08566	0.6
71.75859	0.3
78.95908	0.4
79.82690	0.4
80.02692	0.8
81.03482	1.2
83.05028	4.4
84.02175	0.7
85.02939	0.7
85.56662	0.4
89.02430	1.7
97.02949	0.5
97.40846	0.4
101.02425	2.5
113.02451	1.4
119.03542	0.5
125.06052	0.5
140.94485	0.3
161.04565	0.9
163.11276	3.4
165.12860	2.4
181.12386	0.5
191.10789	1.2
199.13405	0.6
205.31413	0.3
207.10248	0.6
209.11821	100.0
210.12154	7.1
225.11391	0.4
227.12872	11.2
228.13293	0.5
235.08223	1.2
251.35741	0.4
253.09282	8.0
254.09641	0.6
277.21701	52.8
278.22040	6.5
279.23065	0.5
445.20627	1.2
461.53867	0.4
469.33212	0.4
723.43799	0.6
724.43341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44844	1.1
55.86128	1.0
59.01381	9.7
60.99314	2.8
61.98832	11.8
63.31259	1.1
71.01380	6.6
71.11093	2.3
73.02946	2.8
75.00851	1.5
83.01385	2.6
85.02952	7.2
87.00904	2.3
88.98795	8.0
89.02428	2.1
92.05007	1.2
93.03464	2.5
96.95987	1.2
99.00851	1.3
101.02420	1.7
107.01366	1.6
108.02177	1.3
110.00093	1.6
113.02445	1.9
118.02993	33.5
119.03461	1.8
121.02937	1.3
123.04542	3.0
124.01642	1.3
125.02455	4.8
129.01964	3.2
132.04526	3.8
133.02940	3.1
134.03709	1.2
135.02995	2.4
135.04605	1.4
137.02429	1.8
144.04587	1.5
146.02483	100.0
147.02948	3.5
148.04137	1.2
149.02405	2.7
151.00371	4.2
151.03996	2.3
158.02512	1.6
160.04053	6.3
161.02455	1.4
164.98283	4.8
165.99052	5.1
172.04172	1.4
175.03999	1.3
177.01886	1.7
178.99843	4.3
183.04494	2.6
187.63275	1.1
191.05467	1.6
193.05019	1.8
199.04041	1.6
205.05063	1.6
215.03519	2.8
226.86980	1.2
227.03531	4.0
241.01538	3.2
242.02100	2.1
243.02930	3.2
245.00940	2.9
255.03001	3.5
255.91591	1.3
269.04651	1.5
270.01706	10.4
271.02469	28.0
272.02896	1.8
285.04041	3.4
289.07278	1.7
298.01138	3.3
299.01956	44.7
300.02469	5.1
313.03546	4.4
314.04321	54.0
315.04559	5.8
328.05829	3.4
329.06656	90.0
330.07010	9.2
340.51022	1.2
350.08795	18.3
352.10379	15.6
358.34149	1.4
461.07401	11.9
465.03418	1.1
562.20624	5.1
569.00262	1.4
714.60687	1.3
724.25714	13.2
725.23608	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	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
59.01379	4.5
61.98824	2.5
68.72925	0.2
71.01377	3.2
71.45734	0.4
73.02956	0.7
78.95903	0.4
80.02679	1.1
81.03455	0.8
83.01402	0.7
83.05022	4.8
83.26917	0.3
84.02174	0.8
84.46018	0.3
85.02954	0.8
87.00896	0.5
89.02444	2.4
95.01395	0.3
95.05022	0.6
101.02446	2.8
109.06602	0.7
113.02438	1.4
115.79807	0.3
119.03467	0.5
125.06087	0.5
127.66512	0.3
128.76099	0.2
133.94650	0.3
135.08160	0.4
138.89778	0.3
142.29846	0.2
152.99594	0.4
161.04547	0.9
163.11290	3.8
165.12894	2.2
179.05653	0.3
181.12405	0.4
191.10771	1.0
207.10289	0.8
209.11823	100.0
210.12158	5.4
210.13982	0.4
225.11388	0.3
227.12877	10.7
228.13214	0.8
235.08252	3.8
253.09265	8.9
254.09793	0.5
259.20773	0.4
275.20197	0.3
277.21713	79.9
278.22055	7.5
279.23056	0.3
287.07434	0.3
410.42877	0.3
445.20868	1.1
723.42719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
58.00609	0.7
59.01377	100.0
61.98823	1.4
69.74667	3.4
71.01366	5.1
73.02956	1.9
78.22459	0.5
81.03475	0.7
83.01411	0.8
83.05029	2.8
83.78826	0.6
84.02152	0.5
85.02962	1.9
86.27444	0.5
87.00905	0.8
88.01875	0.5
89.02429	3.4
91.34231	0.5
91.64217	0.6
92.99455	0.5
95.01367	0.7
95.05075	0.9
98.19978	0.9
101.02451	4.0
113.02456	2.5
116.92888	0.7
119.03478	1.4
139.07642	0.6
161.04552	1.3
161.69690	0.5
163.11314	2.3
179.05516	0.7
181.12305	0.9
199.13362	3.1
209.11813	53.5
210.12187	3.1
222.34622	0.7
227.12888	13.2
228.13269	0.7
228.81685	0.5
235.08211	1.6
236.87131	0.5
253.09244	5.1
271.02515	0.7
273.22092	1.1
277.21704	99.0
278.22049	10.6
291.23294	10.5
292.23752	0.6
301.21655	0.9
319.22913	3.1
445.20175	0.7
463.21747	2.3
723.43225	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	723.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50443	0.4
50.55928	0.5
54.91535	0.4
55.56812	0.5
59.01378	85.9
60.01698	0.9
61.98829	4.2
63.46098	0.4
66.32426	0.4
66.48277	0.5
70.74600	1.0
71.01388	2.0
72.99299	0.7
73.02936	0.5
81.03469	0.5
82.73668	0.5
83.01420	0.6
85.02966	0.8
87.00872	0.6
88.98810	1.3
89.02443	0.8
89.03960	1.1
93.03467	1.3
96.94113	0.4
98.47302	0.4
99.04521	1.0
101.02431	0.8
105.03450	1.0
107.05021	1.0
108.02189	0.9
109.02971	2.4
109.06666	0.6
111.00908	1.1
113.02487	0.5
119.05019	1.0
121.02937	2.5
121.32735	0.4
122.03791	0.5
123.00872	1.4
123.04523	1.6
124.01727	0.5
125.02409	0.7
131.05020	1.2
133.02953	3.1
133.06564	0.9
134.03758	0.7
135.04553	1.2
136.01675	1.8
137.02448	3.4
137.06059	0.6
138.03252	1.1
147.04437	0.7
149.02454	3.5
149.06056	1.1
150.03166	0.6
151.00322	0.7
151.03981	1.6
152.01160	1.2
159.04535	1.4
161.02460	1.4
161.04688	0.6
161.06122	1.7
162.03157	0.5
163.03970	1.1
164.01051	0.6
165.01869	0.8
171.10304	1.2
175.04007	1.7
177.01923	6.1
177.05527	3.7
178.02606	1.4
179.03561	0.6
179.10736	0.5
187.04063	2.5
189.01898	0.8
190.02827	0.8
191.03453	1.0
191.05589	1.4
191.07112	1.1
202.02638	0.7
203.03511	1.0
203.07166	0.8
205.05043	5.5
206.05569	0.6
209.11784	0.7
225.11302	0.6
231.10312	1.0
299.12915	1.0
303.12473	0.6
313.06976	1.0
327.12311	1.3
329.10263	0.6
340.09515	0.9
341.06525	1.5
341.10141	1.0
343.11908	2.2
353.10165	0.5
355.07962	1.2
355.12000	1.5
356.08954	0.9
357.13480	2.4
371.11328	100.0
372.11755	12.8
373.12570	0.6
385.13007	2.6
386.12775	0.5
397.16620	1.7
413.12366	6.8
414.13025	1.3
421.22638	0.5
469.18634	92.2
470.18970	13.6
501.21399	3.5
502.21399	0.6
533.16718	0.6
534.17291	1.2
535.17645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04309	0.2
55.01879	0.8
57.03443	0.7
58.00605	0.2
59.01381	100.0
60.01715	0.9
69.22506	1.5
69.78007	0.2
71.01382	10.3
72.99313	0.2
73.02945	4.4
75.00902	0.2
83.01385	2.2
85.02952	5.7
86.00076	0.3
87.00886	0.5
89.02446	0.7
93.03475	0.6
95.01396	0.9
99.00891	1.7
101.02445	11.0
102.02842	0.2
106.55602	0.2
109.02946	0.2
111.00887	0.2
113.02447	4.6
114.02824	0.2
125.02468	0.9
129.01965	0.6
133.02971	0.4
134.03651	0.2
135.04555	0.3
137.02481	0.3
143.03502	0.5
143.76297	0.2
151.04129	0.3
159.03064	0.9
159.29669	0.2
161.02515	0.2
161.04559	5.3
167.03600	0.2
172.40948	0.2
173.04555	0.4
174.90189	0.2
177.01964	0.4
179.03551	0.3
191.05594	1.0
193.05058	0.4
235.11861	19.5
236.12143	1.3
256.12036	0.2
269.10373	1.1
270.56830	0.2
277.12915	13.3
278.13339	0.9
289.07217	0.3
312.01862	0.2
321.11984	0.4
342.17355	0.2
369.09998	0.4
401.14499	5.5
402.15079	0.6
531.15503	0.4
723.21692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60122	0.3
57.03448	52.9
58.03786	1.1
58.40184	0.3
59.01371	2.0
61.98831	1.7
68.76760	0.3
69.25924	2.9
69.26338	0.6
71.01385	1.4
73.02946	0.4
81.03478	1.2
83.01394	0.8
85.02937	2.0
87.00854	0.6
88.70407	0.4
93.03472	1.0
96.95975	0.4
99.04520	24.7
100.04877	0.8
101.02444	12.6
101.77499	0.4
109.02969	1.1
111.00882	0.9
111.04512	0.4
113.02499	0.6
119.05056	0.5
121.03017	0.4
123.00842	0.6
123.04546	0.6
124.01723	0.4
125.02448	12.7
129.01930	0.4
129.44789	0.3
133.02965	0.5
135.04500	0.6
137.02428	5.0
138.03099	0.4
139.04054	0.7
143.03517	0.7
149.02473	1.2
151.00363	11.6
151.04019	1.0
152.01109	1.5
152.04784	1.6
161.04535	0.4
164.04759	0.6
165.01845	0.7
166.02705	38.0
167.03368	3.1
173.04459	0.4
175.03993	0.8
177.01918	2.3
177.05705	0.4
179.03511	0.5
181.05060	52.1
182.05423	2.2
190.06339	0.9
191.01907	0.5
191.03532	0.6
191.05569	0.8
192.04306	0.8
193.05049	1.1
195.02951	0.6
205.04990	0.5
205.08667	0.9
206.05867	0.4
207.06622	0.6
219.06404	0.4
223.06277	0.4
234.88860	0.4
305.08545	0.5
359.11380	1.6
387.10641	8.2
388.11029	1.0
402.13193	6.7
403.13663	1.8
417.15518	100.0
418.15820	13.1
426.41531	0.4
467.88751	0.4
561.19299	0.5
723.24298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15025	0.4
57.03447	4.7
58.93270	0.5
59.01377	10.9
59.01653	0.8
60.99316	0.9
61.98849	0.7
65.03966	0.5
67.01888	8.3
69.03460	1.7
71.01378	5.9
71.54797	0.6
72.99289	0.7
73.02949	0.7
81.03045	0.4
81.03474	1.4
83.05042	1.7
85.02952	6.0
87.00862	3.2
89.02478	1.7
93.03458	49.3
94.03802	1.9
95.05048	0.4
96.96008	0.8
99.00882	0.5
99.04506	3.0
101.02409	2.6
101.92812	0.5
105.03450	2.8
108.02213	0.4
109.02940	2.5
111.00891	1.5
111.04517	7.0
111.05228	0.6
113.02470	2.0
119.03470	0.7
121.67695	0.4
123.04531	0.9
123.68797	0.4
125.02448	1.8
127.04012	1.6
132.02188	2.8
133.02959	19.4
134.03789	4.3
135.04529	8.5
137.02438	6.9
139.04054	0.7
143.03493	0.9
150.03177	0.9
151.00354	0.9
155.03477	4.7
157.12347	1.3
159.04460	0.6
160.01663	5.7
161.02428	3.7
161.04550	0.9
173.04539	100.0
174.04887	3.6
175.03992	0.6
176.04784	1.2
177.00522	0.7
177.01947	9.0
178.02715	6.9
179.03474	5.1
179.05612	0.8
185.11890	0.7
189.05611	0.5
191.05606	35.0
191.07016	1.3
192.05901	1.3
193.05035	6.8
194.05226	0.5
203.03494	0.6
203.12917	6.1
207.06650	0.6
213.26273	0.4
215.05574	1.9
220.03722	0.7
245.13921	4.8
255.02971	0.8
258.97491	0.5
270.46100	0.5
271.02451	1.5
300.02740	3.2
301.03430	3.2
307.08221	1.2
351.07166	17.6
352.07550	1.7
357.09778	0.7
367.10324	2.3
369.09760	19.5
370.10190	2.1
411.10754	2.0
433.07678	4.9
519.27960	1.5
531.15057	5.1
532.15765	0.5
541.20667	0.6
543.07349	0.7
543.15045	10.5
544.15442	2.1
549.16101	4.7
550.16211	0.5
561.28699	0.6
579.30237	1.0
723.21027	20.0
723.32654	1.2
724.21686	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	723.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81339	0.8
57.03422	2.8
59.01383	8.8
61.98806	0.9
67.01856	1.2
69.57921	6.0
71.01378	6.9
77.03942	1.3
79.83575	0.9
81.03433	1.9
83.01363	1.1
83.05000	2.7
83.36830	0.9
85.02931	3.3
87.00842	1.4
89.02422	3.0
89.03976	1.5
93.03465	12.2
94.29537	0.8
95.05032	5.4
96.96006	1.1
99.04524	1.7
101.02444	2.4
105.03456	11.1
109.02931	2.8
111.00855	1.1
111.04534	7.3
121.02956	4.4
123.04506	2.2
125.02412	3.3
127.03993	1.1
129.01921	1.2
132.02176	1.8
133.02956	100.0
134.03790	22.7
135.04523	20.1
136.01576	1.3
137.02441	18.0
139.03992	6.0
149.02435	2.0
149.04472	1.1
150.03185	2.9
151.00406	0.8
151.03964	2.5
153.37354	0.8
155.03473	7.4
156.23528	0.9
159.04485	3.6
161.02470	7.9
161.06070	2.6
162.03137	1.4
163.03960	1.3
165.01869	2.1
166.02640	2.8
173.04561	25.9
173.06001	1.9
175.03928	2.5
176.04790	5.2
177.01929	50.1
177.05400	2.7
178.02705	43.1
179.03496	14.2
179.05084	1.5
179.05624	1.1
180.03801	1.0
181.05026	2.4
187.03966	0.9
189.05507	1.8
191.05544	11.3
191.07170	3.8
193.03357	1.8
193.05042	31.9
194.05399	1.7
203.03424	2.5
227.03448	1.0
267.06693	1.1
271.06091	1.4
271.09787	0.8
285.04172	1.7
285.07605	1.8
289.07074	3.0
300.10071	1.3
301.10724	1.6
309.07541	1.3
325.10880	1.2
331.11929	2.7
337.07300	1.2
339.05038	0.9
351.07159	16.4
352.07520	1.6
357.09653	3.1
369.09766	93.3
370.10156	11.1
417.15479	3.6
426.78317	0.9
501.14157	1.3
515.46045	0.9
519.14795	2.5
543.14716	6.7
549.16284	8.5
550.16614	1.2
561.17084	2.1
622.69531	1.0
723.21295	61.5
724.21680	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	723.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.1
59.01378	5.3
60.02502	0.4
60.99303	2.5
65.03940	0.4
65.36732	0.4
67.01890	7.6
69.03439	2.7
69.87468	0.8
69.87881	1.7
71.01382	5.4
73.02937	1.0
73.09885	0.4
78.56328	0.5
81.03450	2.3
83.01386	0.5
83.05025	2.1
85.02949	12.4
87.00875	8.8
89.02453	1.7
89.22750	0.4
93.03458	52.9
94.03812	1.9
95.05038	0.5
96.95988	0.5
98.95689	0.5
99.00874	1.2
99.04510	1.5
101.02473	1.2
105.03461	2.0
107.05035	1.3
109.02951	3.8
111.04507	7.7
112.04778	0.5
113.02452	2.6
119.03453	0.5
123.04545	0.8
127.04018	3.4
127.65145	0.4
129.01956	0.9
132.02167	7.9
133.02969	17.5
134.03708	2.7
135.04527	14.6
136.04900	0.7
137.02492	2.2
143.03540	1.0
150.03226	0.6
151.03993	1.0
155.03496	2.2
157.02943	0.5
160.01653	20.3
161.02438	6.8
165.01932	0.4
171.02983	1.1
173.04544	23.5
174.04875	0.9
175.04004	1.0
176.04778	1.1
177.01923	6.6
177.05545	0.8
178.02705	4.1
179.03467	7.4
185.02431	1.4
191.05609	100.0
192.04340	1.0
192.05930	4.0
193.05028	7.1
203.03525	0.5
207.06549	0.5
215.03552	0.4
215.05574	6.4
216.05974	0.6
220.03860	2.2
220.05673	0.5
237.14938	1.1
265.86307	0.4
295.06268	0.5
297.03839	0.5
307.08170	0.8
308.08768	0.5
325.10602	0.5
339.05438	0.5
351.07162	20.4
352.07590	1.9
367.10300	8.2
369.09769	7.9
370.09982	1.1
404.16064	0.7
411.10822	6.0
412.11349	0.7
441.11227	0.6
471.12888	1.1
531.15002	13.3
532.15369	2.8
543.15021	22.4
544.15210	3.6
549.16376	0.8
595.36377	0.4
723.21283	42.7
724.21643	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	723.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
57.03450	0.6
60.99296	0.3
67.01892	0.8
69.03440	0.6
69.43709	1.9
71.01381	2.8
72.99308	0.3
73.02947	0.6
74.65667	0.3
81.03474	0.6
83.01400	0.5
83.05022	0.7
85.02952	16.4
86.03304	0.3
87.00880	3.7
89.02415	0.3
93.03461	7.1
95.01340	0.2
96.96035	0.3
99.04524	0.9
101.02422	0.6
109.02953	1.5
111.00872	0.5
111.04536	2.0
113.02459	0.4
119.05032	5.4
124.01730	0.4
125.02431	0.7
127.04028	3.7
129.01964	0.6
131.03549	0.5
133.02969	0.7
134.03783	1.4
135.04597	1.2
137.02438	0.8
139.03975	0.7
145.04971	0.3
153.05550	0.3
155.03479	0.6
159.04471	0.9
161.04527	0.3
163.04013	7.3
165.05550	0.3
171.02982	0.9
173.04547	5.6
173.06003	0.5
174.04950	0.4
177.01944	0.6
179.03470	1.0
191.05609	100.0
192.05939	5.0
193.05093	1.3
195.05710	0.4
205.03528	0.5
213.05611	0.6
215.03474	1.3
215.05383	0.4
223.04501	0.7
223.07565	0.3
249.05679	0.4
257.04562	0.4
267.06403	0.3
277.05130	1.2
278.05832	0.5
293.04306	0.3
294.05450	0.4
295.06259	1.3
296.06577	0.3
305.04651	0.4
308.06995	0.3
309.07727	0.7
310.08469	1.3
323.05597	0.4
325.10907	2.3
338.07971	0.3
339.08508	0.4
351.07138	0.6
353.08783	1.2
354.08957	0.6
355.09348	0.5
357.10062	0.4
369.09821	2.4
370.10150	0.3
371.09650	0.3
383.07611	0.5
505.17099	0.8
516.12201	0.7
525.15979	0.4
531.15082	58.6
532.15442	9.9
532.21594	0.2
532.23706	0.3
543.15326	0.3
549.16064	2.1
550.16534	0.6
639.65289	0.3
723.21594	2.4
724.21710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13326	0.2
53.24850	0.2
59.01378	3.0
60.99305	18.1
61.98825	0.4
69.24871	2.0
71.01384	0.4
73.02928	0.3
84.02140	0.6
85.02928	0.3
87.00869	0.3
88.98801	100.0
89.99137	1.0
92.80347	0.2
93.03452	0.2
97.02937	0.4
101.02422	0.3
108.02168	0.5
121.02901	0.4
135.04501	0.7
136.01653	0.5
137.02455	0.6
140.25372	0.2
147.04453	0.3
150.03171	0.3
161.06221	0.3
161.09709	0.4
165.01833	0.3
169.12340	0.4
171.10307	0.3
175.03970	0.2
177.12877	0.4
179.03481	0.3
179.10793	0.9
183.27382	0.2
190.06284	0.5
191.03535	0.2
191.05533	0.2
191.07159	0.3
201.11325	1.0
204.04250	0.4
207.10226	0.3
209.11789	3.1
219.06638	0.4
221.11769	0.4
223.09734	0.4
227.12901	0.3
253.09122	0.3
265.10916	0.6
285.91406	0.2
325.12839	0.9
327.12299	0.3
355.12067	0.4
356.12720	0.3
385.12881	10.4
386.13153	1.2
515.73016	0.2
679.33740	0.3
679.74951	0.3
723.33307	1.8
724.32922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
58.00576	1.6
59.01379	56.2
60.99296	7.4
61.98830	4.4
69.03455	3.8
69.16151	1.1
69.41781	6.9
71.01380	29.9
72.99310	15.8
73.02929	5.2
75.00867	1.9
81.03465	2.7
83.01391	2.8
83.05024	5.1
84.02164	6.2
85.02953	6.9
87.00886	3.4
88.98806	46.5
89.02440	35.0
89.99150	3.9
90.99236	3.9
91.00327	1.6
92.87305	1.2
93.03454	2.2
95.01401	2.0
95.05034	1.1
96.96001	1.0
97.02951	5.8
99.00880	7.4
99.04519	2.2
101.02440	8.0
103.05565	1.1
107.05029	1.2
108.02193	9.4
109.02953	4.2
113.01726	1.1
113.02415	6.1
115.04027	3.0
119.03477	1.7
119.05013	3.1
121.02973	6.7
122.03799	1.1
123.00948	1.3
124.01714	1.6
125.02450	20.7
125.09692	1.0
127.11302	1.1
131.03514	6.1
131.05063	2.0
133.02939	2.5
133.06644	1.3
134.03748	1.6
135.04550	3.3
136.01640	4.4
137.02446	4.3
143.03505	1.9
145.02914	1.4
147.04576	2.1
149.02515	1.2
149.04544	10.6
150.03206	1.3
151.04099	1.3
152.01262	1.2
159.04520	3.3
159.47035	0.9
161.02469	2.6
161.04602	2.7
161.06067	4.3
162.03207	1.2
163.03961	2.3
163.07640	2.2
163.11261	3.5
165.01884	3.0
165.12834	2.0
171.10254	6.8
173.04568	2.4
173.06030	2.0
173.55162	1.2
175.04021	3.1
176.04831	1.1
177.01933	2.8
179.03494	2.9
179.10753	1.3
182.02208	1.3
187.03955	1.7
189.05563	3.8
190.06334	1.5
191.03766	2.2
191.05591	17.2
191.07117	2.2
197.11903	1.4
201.11299	20.6
204.04303	1.8
205.05089	1.7
209.11818	100.0
210.12074	5.8
219.06578	7.3
225.11349	2.2
227.12834	14.3
228.13330	1.3
233.06628	20.6
235.08133	2.9
253.09311	8.2
283.09555	1.1
290.54242	1.2
293.08759	63.8
294.09067	2.6
311.09293	2.4
340.09460	4.6
341.10052	1.4
369.09781	41.1
370.10019	3.6
371.11313	21.7
371.15588	2.0
372.11957	5.4
373.12445	1.5
437.20029	1.3
445.20728	5.0
469.18646	23.8
470.18695	2.5
475.30661	1.5
501.21341	7.9
502.21335	1.6
679.33209	2.3
723.26154	2.2
731.62238	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72504	0.7
59.01381	14.6
59.95411	0.8
61.98830	3.2
64.64175	0.8
64.81403	0.9
71.01381	6.7
71.54200	1.0
72.99308	0.9
73.02942	2.2
78.95933	1.1
81.03500	1.2
83.01385	0.9
83.05022	2.2
84.60723	0.8
85.02943	2.6
87.00844	1.2
89.02457	4.9
95.01363	1.2
95.05015	3.3
97.02965	5.0
97.06612	1.0
101.02438	7.1
106.04227	0.9
107.04984	0.9
109.02989	1.0
109.06594	13.9
110.03752	2.1
110.06946	0.9
110.45105	0.9
113.02466	3.7
119.03490	1.7
125.22652	0.9
135.08144	2.4
142.02750	1.1
145.04987	1.2
151.07640	0.9
161.04553	3.0
161.09726	2.1
163.11281	12.1
166.20770	0.9
179.05580	2.5
179.10783	2.4
181.12294	2.3
189.09227	5.6
191.05635	0.8
197.11725	1.1
207.10262	49.0
208.10596	3.8
209.11838	1.5
225.11313	100.0
226.11665	6.4
229.80365	0.9
235.08167	8.2
253.09262	12.1
277.21710	93.4
278.22012	9.3
299.15103	2.0
348.80704	1.0
443.19318	8.9
444.19662	1.3
461.20248	18.5
462.20645	2.9
559.36932	0.8
660.48792	1.0
721.41559	24.5
722.41949	7.0
740.64282	0.9
741.71350	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.7
59.01372	0.7
61.98838	3.2
63.54202	0.5
67.01905	0.9
68.99799	0.9
69.03461	1.0
69.30286	4.0
69.30701	1.2
71.01395	0.7
71.05029	0.7
83.05042	1.4
85.02943	1.3
86.62334	0.6
93.03487	0.9
97.02953	10.7
109.02937	3.7
109.06564	0.6
111.00857	0.7
111.08170	0.7
119.08658	0.6
121.02962	2.7
122.03747	2.5
123.00865	4.6
123.04556	0.7
123.08113	0.8
124.01676	2.6
127.44772	0.6
128.08221	0.5
133.02930	0.6
135.04561	1.5
136.01653	8.2
137.02441	8.9
137.09718	4.2
138.03209	2.0
151.03978	11.0
152.01077	0.7
152.04327	0.6
153.01846	0.7
154.02713	0.7
161.02364	1.9
161.06114	0.8
162.03229	4.2
163.04012	10.6
164.04404	0.9
165.12811	0.6
168.17822	0.5
171.10265	7.7
175.04025	2.7
177.05544	4.6
179.03497	4.4
179.14313	0.6
191.05598	1.1
193.05000	2.8
195.13889	3.3
201.11104	0.8
209.11768	0.8
211.13329	1.6
221.11755	1.6
221.15477	2.5
223.13451	1.0
223.17062	2.0
233.15422	1.6
239.12872	1.0
239.16440	0.8
247.20775	1.1
251.16513	6.7
252.16858	0.6
256.07343	0.6
273.18713	0.9
291.19662	19.9
292.19937	1.8
309.20691	100.0
310.21005	10.9
342.11050	17.6
343.11447	2.5
411.18106	33.1
412.18423	5.0
415.40863	0.6
729.14740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52438	0.9
58.81332	0.6
59.01371	1.1
61.98811	2.5
65.72929	0.7
67.01859	1.5
68.99798	0.9
69.55068	3.5
71.01379	1.9
73.92731	0.6
88.09582	0.8
95.01375	2.0
108.02155	1.9
109.02943	8.3
111.00877	2.0
111.08165	12.9
112.45081	0.7
119.05025	0.8
121.02937	6.3
122.03732	8.0
123.00885	15.8
123.04491	2.6
124.01662	7.0
129.05084	0.7
133.02997	1.0
134.03748	1.5
135.04514	2.6
136.01657	20.3
136.05338	0.9
137.02448	25.2
137.09772	0.9
138.03252	7.6
147.04472	1.2
147.51131	0.7
149.02411	1.2
150.03209	1.2
151.03998	24.1
151.07605	1.0
152.04318	1.5
153.01921	1.3
153.12874	1.2
154.02742	1.6
161.02454	3.7
161.06058	2.4
162.03238	12.3
163.03999	33.2
164.04594	2.3
169.12289	4.8
171.10229	1.6
173.72850	0.9
175.03983	6.5
177.05559	14.1
179.03502	11.9
180.04221	0.9
181.12453	1.0
183.13962	0.8
189.05508	1.2
190.06351	1.3
193.05028	6.3
197.11827	58.2
198.12164	3.5
199.13374	2.0
209.11816	1.7
209.15509	2.5
211.13449	3.8
223.17252	1.0
227.12915	1.1
229.19589	0.8
241.05022	1.3
251.16553	2.1
256.07443	1.5
261.91876	0.7
263.20108	2.6
265.18167	1.8
273.18790	1.0
291.19662	14.8
292.19998	2.1
309.20688	91.6
310.20999	9.4
312.10046	1.1
324.09879	1.0
327.08728	2.4
342.11053	46.8
343.11490	4.7
411.18100	100.0
412.18439	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	721.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51158	1.1
53.90946	1.0
54.84634	1.0
57.03454	1.4
58.33690	1.1
59.01381	9.7
60.99331	1.6
61.98835	11.0
70.39595	4.0
71.01380	78.8
73.02930	2.4
80.02676	2.3
81.03475	3.8
83.01378	1.6
83.05010	6.8
84.02180	2.0
84.62159	1.2
85.02940	3.3
87.00878	3.5
88.98801	8.7
89.02455	5.6
92.98259	1.3
97.02972	3.4
97.06597	1.2
99.00886	4.4
99.04520	1.4
99.92584	2.1
101.02467	5.2
109.06592	11.9
113.02431	2.3
114.10693	1.1
116.92862	14.9
117.57176	1.1
119.03545	1.5
119.28920	1.2
125.02432	2.7
125.06082	1.6
125.09732	3.9
127.11279	1.5
133.61600	1.1
135.08150	1.7
137.02435	1.8
148.56441	1.2
161.04535	1.8
161.09706	2.7
163.11295	13.1
164.11598	1.1
165.09238	1.8
165.12872	2.4
171.10254	17.2
173.04446	1.1
178.02754	1.1
181.12311	5.9
183.13895	1.7
185.11841	1.6
191.05627	5.4
193.99796	1.3
197.11800	2.1
199.09735	1.3
199.13394	3.0
201.11281	9.2
207.10248	35.8
208.10541	2.9
209.11818	100.0
210.12151	6.8
211.69797	1.1
213.14928	5.2
215.12827	1.9
225.11311	30.8
226.11658	1.2
227.12933	14.4
230.09344	1.9
235.08240	2.6
239.12828	1.3
240.69907	1.1
243.12378	4.5
253.09315	11.1
326.57266	1.4
336.93011	1.3
371.05536	1.1
399.21832	2.3
410.15466	1.7
417.22681	2.2
443.19406	1.5
461.20300	8.3
635.30847	2.3
653.31305	3.1
654.31122	1.6
671.32593	7.1
672.33337	3.2
677.37585	1.4
689.33740	9.0
690.34338	2.1
721.37500	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	721.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.9
59.01379	11.0
60.99304	2.6
61.98829	18.9
69.03458	1.4
69.32689	5.1
69.33109	2.7
71.01379	9.5
71.05009	2.5
73.02940	2.3
81.03442	1.7
83.01370	1.2
83.05021	4.3
84.02130	1.1
85.02954	2.4
87.00870	2.4
88.98803	17.4
89.02457	5.9
93.03439	1.4
94.32218	1.1
97.02953	3.5
97.06581	4.0
99.00877	16.9
99.04528	1.6
101.02443	5.0
105.03489	1.3
109.02966	1.6
109.06625	1.3
110.03757	1.1
113.02409	3.3
123.04414	1.1
123.08126	1.7
125.02422	3.1
125.09719	7.8
135.08153	2.2
137.02443	2.2
147.04535	1.0
151.03955	1.0
159.86014	1.1
161.04492	1.7
161.09700	1.2
163.11266	13.6
164.11574	1.5
165.05492	1.2
171.10262	10.9
173.04486	2.0
181.12350	18.6
191.05606	7.1
197.11711	1.3
199.13391	10.4
200.57191	0.9
202.17570	0.9
207.10233	25.6
207.12183	1.3
209.11815	46.9
210.12140	3.5
225.11319	37.5
226.11595	2.1
227.12843	4.6
243.12341	19.9
244.12755	1.4
253.09277	3.4
282.23300	1.1
289.07227	1.0
415.14059	5.3
445.20828	1.2
458.85004	1.0
461.19882	2.1
479.21497	4.9
627.18341	1.0
671.32666	2.9
689.33832	100.0
690.34149	21.6
721.36938	8.8
722.36621	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	721.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42212	0.9
56.36907	1.1
57.03445	3.3
59.01377	14.9
60.99302	6.9
61.98830	17.5
69.48378	5.9
69.48787	2.7
71.01383	15.0
71.05009	2.3
73.02944	2.5
80.02660	1.5
81.03428	1.7
83.01397	2.8
83.05025	7.1
84.02170	2.4
85.02961	5.6
87.00899	2.0
88.98804	37.1
89.02438	10.0
93.03429	2.4
95.05028	2.3
96.95978	1.3
97.02940	4.7
97.06578	2.3
98.19884	1.5
99.00883	16.4
99.04541	1.3
101.02440	6.7
109.06596	2.8
113.02450	4.3
119.05008	1.2
123.08185	2.4
125.02413	3.6
125.09724	7.7
127.11294	1.7
135.04565	1.6
135.08170	2.3
137.02428	2.2
151.03979	1.8
161.04654	1.4
163.03934	1.2
163.11272	15.1
165.12856	2.8
171.10237	5.2
173.04478	2.7
179.10756	1.4
181.12335	16.6
181.79404	1.1
183.68362	1.3
191.05594	12.7
195.06564	1.3
197.11824	3.0
199.13406	21.8
200.13795	1.7
207.10246	39.2
208.10663	1.8
209.11807	82.7
210.12206	6.6
225.11308	62.6
226.11617	3.0
227.12872	11.8
228.13260	1.3
243.12325	17.3
253.09209	7.0
443.19293	1.3
461.20367	5.5
479.21078	4.2
526.90125	1.2
527.97705	1.4
653.31415	3.7
671.33130	4.3
689.33832	100.0
690.34058	20.6
721.24878	3.1
721.36542	56.7
722.36884	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	721.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96557	0.9
56.43030	1.4
57.03421	1.6
59.01381	2.8
59.83306	1.0
66.34533	1.0
67.01886	4.2
69.03479	1.8
71.01388	3.7
81.03484	1.7
83.01409	1.1
83.05019	2.4
85.02937	8.7
87.00884	2.6
89.03981	2.2
93.03466	27.3
109.02980	1.3
111.00904	1.7
111.04531	8.2
117.03490	7.3
125.02449	5.6
127.04024	3.3
133.02957	1.3
134.03746	85.0
135.04536	59.0
136.04843	4.1
137.02438	6.1
138.02797	1.2
149.06119	5.6
155.03508	7.7
161.02435	5.1
163.03865	1.1
173.04550	94.7
174.04845	3.8
177.83586	1.1
179.03497	52.4
180.03888	2.1
191.05618	72.0
192.05948	2.9
193.05057	100.0
194.05399	6.5
195.13901	9.2
220.48177	1.1
255.16022	1.5
289.07162	1.5
299.15051	1.2
346.77011	1.2
353.08774	84.2
354.09094	7.5
357.59357	1.2
367.10339	62.4
368.10654	7.6
407.73572	1.1
430.05103	1.0
483.71335	1.1
537.40558	1.5
548.36127	1.1
692.56970	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29991	0.9
57.03445	1.9
59.01380	4.3
64.27614	0.9
67.01881	4.4
69.03469	1.4
69.40621	5.7
71.01389	3.9
81.03469	1.7
81.35664	0.9
83.01408	0.8
83.05048	3.0
85.02944	8.5
85.03310	0.8
88.37778	0.9
89.03957	2.5
93.03461	28.2
93.04025	1.8
99.04581	1.1
109.02945	2.4
111.00889	1.4
111.04531	8.6
117.03471	7.2
125.02465	4.4
127.03992	3.0
133.02954	1.1
134.03746	84.0
135.04544	64.8
135.05338	0.7
136.04868	3.5
137.02463	6.9
149.06108	5.6
155.03490	7.3
161.02448	4.2
171.03062	1.3
173.04553	98.7
174.04897	4.2
179.03502	57.3
180.03809	3.4
191.05617	73.5
192.05951	2.7
193.05057	100.0
194.05391	5.8
195.13902	4.5
289.07315	1.1
299.14856	1.0
333.09631	0.9
353.08768	77.1
354.09082	7.5
367.10342	53.8
368.10733	7.6
392.71979	1.0
412.87549	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01381	1.6
67.01897	1.4
69.03456	0.4
71.01400	1.9
72.57951	0.3
73.02944	0.4
81.03455	0.9
83.05045	1.5
85.02946	3.4
85.96222	0.3
87.00922	0.9
89.03971	1.3
93.03465	14.1
94.03828	0.4
99.04514	0.6
101.02554	0.3
107.05045	0.5
109.02950	1.0
111.00900	1.3
111.04515	3.9
117.03469	6.9
123.04480	0.6
125.02455	2.9
127.04008	1.4
129.01945	0.6
133.02965	0.9
134.03748	77.7
135.04555	26.7
136.04828	1.8
137.02457	3.4
139.04053	0.5
146.24989	0.4
149.02425	0.7
149.06087	5.9
151.03970	0.6
155.03508	5.6
161.02434	2.4
162.05623	0.4
166.32182	0.4
173.04549	45.2
174.04887	2.1
177.01762	0.4
179.01889	0.8
179.03503	25.2
180.03876	1.4
191.05618	25.5
192.05920	0.9
193.05052	100.0
194.05405	6.2
195.13841	0.5
200.00996	0.3
243.02983	0.5
258.36664	0.4
289.07162	1.3
353.08762	36.3
354.09174	3.8
367.10330	59.5
368.10754	5.2
552.09937	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55486	0.2
51.44365	0.3
57.03446	0.3
59.01376	2.9
60.99305	18.3
61.98827	3.7
69.03461	0.4
69.34864	1.1
69.35292	1.1
71.01403	1.4
72.15625	0.2
73.02956	0.4
76.29111	0.2
81.03471	0.4
83.05071	0.3
85.02950	0.9
87.00880	0.6
87.99704	0.2
88.00368	0.4
88.98804	100.0
89.02438	3.4
89.99123	1.4
93.03430	0.4
96.96023	0.3
98.19878	0.5
99.00829	0.3
101.02447	0.3
109.02946	0.4
118.98873	0.3
119.03532	0.3
123.08170	0.4
124.01623	0.3
125.02443	0.7
129.01965	0.4
137.02422	1.0
142.80998	0.2
149.02571	0.3
150.03204	0.3
151.04031	0.5
152.01222	0.3
161.02446	0.3
163.04015	0.5
163.11337	0.5
165.12903	0.3
171.10262	4.0
173.04584	0.3
177.01938	0.5
179.03432	0.6
187.07651	0.3
191.05634	1.9
195.06584	0.3
197.11800	0.6
199.13194	0.3
201.11348	0.9
203.03723	0.3
207.10272	0.6
209.11815	6.5
225.11281	2.1
227.12846	1.3
235.08327	0.3
253.09232	0.6
371.11343	3.3
372.11951	2.8
373.12421	0.4
407.19455	0.3
461.20526	0.4
515.50403	0.3
534.17267	0.5
571.78809	0.3
589.78265	0.3
677.33337	0.5
703.32477	0.5
721.24475	1.4
750.58319	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79045	0.7
58.02970	5.5
60.06211	0.6
65.62764	0.6
69.49840	1.1
69.50246	3.9
70.02976	5.5
72.00916	1.6
72.04543	1.2
74.02471	38.2
93.03463	1.3
98.02467	7.8
114.04383	0.7
116.03546	9.0
116.05051	14.0
117.03458	5.3
122.39136	0.7
130.06618	1.5
135.04546	0.9
142.06593	3.6
147.04539	0.7
149.02359	1.7
159.04500	1.0
159.09286	3.1
161.02396	2.1
163.03992	1.8
183.09308	0.8
201.10275	3.2
203.08252	39.3
204.08557	2.7
223.61469	0.9
239.07007	1.2
245.09290	100.0
246.09598	7.9
268.03741	1.5
269.04489	3.0
281.04492	2.9
282.05283	3.0
283.06097	30.8
284.06522	3.1
293.04572	0.8
295.06152	1.3
311.05597	55.1
312.06003	6.1
323.05560	3.3
341.06619	9.2
342.06866	1.0
431.09793	72.9
432.10156	11.4
670.69366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15225	0.3
55.01889	0.6
57.03442	0.7
59.01381	100.0
60.01715	1.4
62.28858	0.3
66.18366	0.3
68.02241	0.3
71.01386	8.6
71.53761	0.3
72.01717	0.3
72.99335	0.3
73.02947	4.1
81.03499	0.4
83.01387	1.8
85.02956	5.1
87.00877	0.5
89.02438	1.5
93.03484	0.8
93.07137	0.4
95.01396	0.6
95.05119	0.3
97.02966	0.4
99.00867	1.5
101.02439	9.1
113.02451	4.5
119.05020	0.5
120.05417	0.3
123.04514	4.6
125.02444	2.8
126.05614	11.8
127.05898	0.3
129.02005	0.3
135.04570	0.8
136.05338	1.0
137.02475	0.6
137.06120	1.7
143.03540	0.7
149.02472	0.3
149.06105	1.0
149.19576	0.3
151.04044	0.6
159.03041	0.6
161.02509	0.5
161.04535	5.0
161.05705	0.4
162.05031	0.3
163.04124	0.4
163.07704	0.7
172.07840	0.3
173.04582	0.6
175.07671	0.5
188.10851	0.5
191.05629	3.0
192.05989	0.9
193.05095	0.6
206.11861	12.6
207.12231	0.7
221.10287	24.8
222.10713	1.2
250.10883	2.8
251.11214	0.5
263.11337	13.4
264.11801	0.8
285.09995	0.4
289.07202	0.6
307.10538	0.6
339.00244	0.3
353.09073	0.6
354.09201	0.6
412.16129	15.3
413.16394	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	719.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36649	1.3
57.03453	1.7
59.01377	12.1
61.98827	20.7
62.31855	1.4
63.59552	1.5
67.62715	1.7
69.03443	5.2
71.01382	9.2
71.05007	2.1
71.55158	2.6
72.99310	1.7
73.02953	1.8
83.01402	1.5
83.05025	4.2
84.02145	2.8
85.02930	4.4
87.00880	8.3
88.00368	3.0
89.02440	5.1
93.03461	2.1
95.01405	1.4
98.80745	1.4
100.10075	1.3
101.02430	5.1
102.66945	1.3
113.02456	1.6
116.48412	1.4
116.92855	1.7
123.08185	1.7
125.02451	2.1
125.09720	2.8
135.08154	1.6
137.02373	2.5
147.74242	1.3
151.11281	2.6
153.12848	2.1
161.04567	1.8
161.09688	4.6
163.11308	2.1
165.12781	3.1
173.04573	2.1
179.10713	8.5
184.26382	1.3
191.05611	5.8
197.11818	85.4
198.12094	4.1
209.11815	70.7
210.12103	4.3
223.09692	1.8
225.11424	1.7
227.12817	3.7
241.10788	2.9
246.02438	1.5
253.09273	2.7
385.91809	1.5
406.45764	1.8
477.19751	2.2
687.32324	100.0
688.32642	20.7
719.35083	32.4
720.23309	1.7
720.35376	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	719.277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96006	0.2
57.03443	1.2
59.01382	3.0
67.01892	0.6
69.03449	0.2
70.67067	0.5
71.01382	1.3
73.02949	0.8
81.03452	0.5
83.01385	0.5
83.05012	0.3
85.02942	5.9
87.00883	1.3
89.02444	0.5
93.03457	3.6
97.02952	0.4
97.08768	0.2
99.04496	0.4
101.02470	0.3
108.02200	0.2
109.02966	1.5
111.04514	1.0
113.02414	0.3
119.05017	0.8
123.04536	1.1
125.02444	8.1
125.03338	0.5
127.04005	1.4
137.02449	0.9
145.03009	1.0
149.02470	0.3
151.03975	1.2
159.04472	0.4
161.02429	2.3
161.04573	0.3
161.06018	0.2
163.00420	0.2
163.03993	1.2
164.01169	0.4
165.01892	0.6
167.03571	0.2
171.02992	0.4
173.04532	2.0
175.04030	0.6
177.01962	0.4
185.02473	0.3
187.04012	0.3
190.03690	0.2
191.05603	100.0
192.05951	4.0
203.03596	0.3
203.07143	0.5
217.05016	0.5
243.02962	1.4
245.04588	0.6
245.08154	0.4
255.02937	0.2
269.04852	0.3
281.04877	0.2
287.05627	1.2
289.07220	2.8
294.05429	0.3
335.05569	0.9
337.09277	27.5
338.09573	3.0
353.06586	0.9
405.06256	0.4
407.07660	1.0
449.08856	0.4
451.10281	0.5
527.12067	1.9
528.12512	0.3
577.13403	0.3
692.08453	0.2
719.17706	1.1
720.18860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43038	0.9
54.46657	1.2
59.01379	5.6
65.40585	1.0
65.65690	1.1
71.01384	3.5
71.46202	1.0
71.53364	1.5
79.08117	1.0
87.00838	1.1
89.02451	7.4
101.02435	2.3
113.02436	2.7
119.03496	2.9
173.44604	1.0
179.05595	5.3
215.03281	4.2
331.27997	1.3
341.10876	20.6
342.11127	1.6
377.08557	100.0
378.08334	6.4
394.41675	1.1
416.88068	1.2
482.90091	1.4
630.11005	1.1
736.40228	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01376	7.5
60.99307	1.3
64.81252	0.3
67.01888	4.4
69.03452	1.1
71.01379	2.4
71.53602	0.4
72.89645	0.3
73.02940	0.5
79.69705	0.2
81.03456	0.9
83.05026	0.9
84.41357	0.2
85.02950	4.3
87.00872	5.4
89.02449	0.7
93.03456	27.0
94.03799	0.9
97.02973	0.3
99.00886	0.6
99.04505	0.6
101.02457	0.7
109.02930	0.6
111.00865	0.5
111.04514	4.9
113.02425	0.6
119.05026	9.3
120.05324	0.5
125.02461	0.7
127.04031	1.4
129.01953	0.6
134.03773	0.3
135.04494	0.6
137.02457	1.6
145.02928	1.4
149.04550	1.1
155.03462	1.6
163.04001	9.7
164.04276	0.7
167.03467	0.3
171.03040	0.4
173.04539	36.3
174.04852	1.5
191.05605	100.0
192.05951	4.0
211.13425	0.3
235.11819	1.0
250.07317	0.4
257.10718	0.3
263.83551	0.3
277.12918	0.7
292.02612	0.3
293.08920	0.4
337.09271	44.7
338.09583	3.5
349.77798	0.3
351.05212	0.3
367.10266	1.0
477.59811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15007	0.8
59.01373	6.9
61.45379	0.8
68.82778	1.1
71.01374	4.9
71.15462	1.7
80.66371	1.2
82.97667	1.0
89.02437	6.3
101.02455	2.1
104.67177	1.0
113.02448	2.9
119.03495	2.9
127.19730	1.0
131.42026	1.0
152.55515	1.1
179.05652	4.6
192.63957	1.1
215.03293	5.3
240.01157	1.0
341.10870	19.7
342.10925	1.2
377.08514	100.0
378.08850	8.3
427.92026	1.0
441.59555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01376	7.5
60.99307	1.3
64.81252	0.3
67.01888	4.4
69.03452	1.1
71.01379	2.4
71.53602	0.4
72.89645	0.3
73.02940	0.5
79.69705	0.2
81.03456	0.9
83.05026	0.9
84.41357	0.2
85.02950	4.3
87.00872	5.4
89.02449	0.7
93.03456	27.0
94.03799	0.9
97.02973	0.3
99.00886	0.6
99.04505	0.6
101.02457	0.7
109.02930	0.6
111.00865	0.5
111.04514	4.9
113.02425	0.6
119.05026	9.3
120.05324	0.5
125.02461	0.7
127.04031	1.4
129.01953	0.6
134.03773	0.3
135.04494	0.6
137.02457	1.6
145.02928	1.4
149.04550	1.1
155.03462	1.6
163.04001	9.7
164.04276	0.7
167.03467	0.3
171.03040	0.4
173.04539	36.3
174.04852	1.5
191.05605	100.0
192.05951	4.0
211.13425	0.3
235.11819	1.0
250.07317	0.4
257.10718	0.3
263.83551	0.3
277.12918	0.7
292.02612	0.3
293.08920	0.4
337.09271	44.7
338.09583	3.5
349.77798	0.3
351.05212	0.3
367.10266	1.0
477.59811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76521	0.2
59.01374	1.6
63.02407	0.5
69.20906	2.0
69.21312	0.5
71.01362	0.3
73.02944	0.3
74.24038	0.3
78.96751	0.3
85.02956	0.5
88.64835	0.2
89.02458	0.9
93.03484	0.4
95.05013	0.4
95.56463	0.2
97.02936	0.4
102.05308	0.2
102.98607	0.4
109.78810	0.2
111.00867	0.3
112.11229	0.2
123.04515	1.8
124.01662	31.2
125.01987	0.8
134.03767	0.3
135.04550	1.1
139.04015	100.0
140.04346	3.9
148.01730	0.3
149.02531	0.3
149.04568	3.1
153.51610	0.2
163.04015	1.1
165.01964	0.3
167.03494	6.9
169.10583	0.3
179.03517	0.9
181.04999	0.3
191.05586	2.2
278.60602	0.3
311.07788	1.1
329.08740	1.2
343.10318	10.5
344.10718	0.8
367.10471	0.4
387.16675	1.1
421.74179	0.3
480.03683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32545	1.3
51.77856	1.2
59.01377	100.0
61.98831	24.9
62.83156	1.4
71.01394	1.4
71.54139	1.7
71.54550	1.6
80.07491	1.2
84.21990	1.3
127.07381	1.5
255.23228	2.8
277.21896	1.5
391.65311	1.3
397.13092	1.6
443.58105	1.4
453.11813	2.3
459.16888	2.8
467.12393	1.5
481.11124	3.8
496.13721	11.7
497.14365	6.8
510.15262	5.4
511.15985	7.2
512.16614	4.6
513.17615	6.0
528.13171	1.4
530.14551	1.9
539.19733	3.3
544.15820	8.4
545.16846	1.6
567.18756	13.4
570.17279	2.1
571.18329	14.4
572.18683	2.6
589.18988	1.7
597.19836	3.2
599.21417	37.0
600.21710	11.5
602.16168	1.9
630.19641	2.8
631.20264	3.3
657.22015	19.0
658.22229	4.2
717.24146	99.7
718.24408	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
61.98828	100.0
62.98539	0.3
66.08887	0.1
68.22770	0.1
68.40294	0.1
71.01392	0.1
89.02455	0.2
101.02436	0.1
109.66375	0.1
120.57650	0.1
123.47367	0.1
128.86993	0.1
136.35817	0.1
255.23389	0.3
256.23697	0.2
257.23871	0.1
344.37564	0.1
397.13626	0.2
398.13995	0.3
399.14072	0.2
717.24036	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	716.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24289	0.1
55.45153	0.1
56.51906	0.1
59.01366	0.2
61.98829	100.0
62.98542	0.2
66.92038	0.1
67.03693	0.1
71.01380	0.2
71.54092	0.1
93.97501	0.1
113.08633	0.1
159.81824	0.1
164.14804	0.1
235.08032	0.1
255.23329	0.3
256.23654	0.3
257.24081	0.1
284.89749	0.1
397.13635	0.3
398.13763	0.2
399.13971	0.3
400.14615	0.2
407.09729	0.1
417.15018	0.1
595.85828	0.1
639.05780	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	716.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15667	1.2
51.49677	1.2
51.90558	1.1
61.98828	3.5
68.99807	2.6
71.01377	1.4
72.93851	1.1
74.32426	1.3
81.03394	1.3
87.41498	1.2
95.01384	4.7
107.05029	1.7
107.25871	1.5
108.02179	2.5
108.08478	1.3
109.02958	18.5
110.03270	1.5
110.48652	1.1
111.00844	2.0
121.02967	8.7
122.03696	4.8
123.00871	12.4
123.04525	4.3
124.01635	6.1
125.02437	3.1
134.03746	1.6
135.04543	5.2
136.01660	62.7
137.02495	42.6
138.02896	7.8
147.04515	3.0
149.02470	2.5
151.04012	55.0
152.04344	12.8
153.01968	2.6
153.04440	1.4
159.04532	4.1
161.02425	5.0
161.06049	4.1
162.03195	10.6
163.04005	24.2
175.03961	6.9
176.04689	5.0
177.05551	10.1
178.05911	1.8
179.03458	7.5
187.04008	4.9
189.05602	3.4
190.06218	2.2
193.04965	2.4
205.05116	2.3
206.05528	1.3
233.08307	1.5
253.08727	2.9
254.09013	2.3
257.26706	1.4
274.79712	1.3
294.75433	1.5
341.10458	3.8
342.11050	47.1
343.11761	42.0
344.12180	32.0
345.12369	3.7
357.09366	1.8
371.11340	48.8
372.11697	58.6
373.12036	14.7
374.12323	6.4
411.18097	100.0
412.18399	13.3
698.22876	2.4
716.25153	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00610	0.7
59.01379	9.1
60.10048	0.6
61.98826	2.3
62.67580	0.5
70.26071	0.5
71.01391	6.8
71.54624	0.8
72.99314	0.7
73.02940	0.8
75.06008	0.5
76.06171	0.5
85.02980	1.7
87.00851	1.0
89.02436	7.6
93.03455	3.1
95.01392	0.7
95.05005	0.6
96.96004	0.7
101.02459	3.4
105.03495	0.8
108.02205	0.8
109.02969	0.8
113.02441	2.0
117.60706	0.6
119.03514	3.3
121.02952	6.1
122.03744	8.1
123.04505	0.6
125.02452	1.1
129.01984	0.6
131.03525	0.7
132.02222	0.6
133.02962	1.4
134.03769	1.5
135.04539	4.6
136.01672	10.1
137.02431	1.6
143.03563	0.8
143.07956	0.7
145.02919	0.7
149.02437	16.1
149.04439	1.0
150.03226	72.4
151.04031	10.7
160.01733	0.8
161.02425	1.1
161.04602	1.0
162.03229	3.8
163.04034	1.2
164.04803	4.2
165.05565	86.3
166.05913	4.2
167.03542	0.7
175.04007	2.1
177.05554	3.1
179.03513	0.8
179.05600	1.8
179.07039	0.6
180.04303	5.1
190.06348	2.1
191.05629	1.9
193.32343	0.5
195.06621	100.0
196.06961	4.7
264.72839	0.5
271.09677	0.7
299.09351	0.6
307.10025	0.6
337.09436	0.9
342.11047	2.0
343.11722	0.7
357.13425	11.8
358.13947	1.3
402.03656	0.6
505.18668	17.2
506.18857	2.4
517.19946	0.8
553.20862	7.6
554.21051	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	715.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
60.77471	0.2
61.98822	1.6
62.08691	0.3
65.03966	0.6
67.01889	0.6
69.03459	0.7
70.02065	0.9
71.01368	0.6
83.01404	1.2
84.02174	0.4
85.02960	0.3
93.03467	0.8
95.01386	2.7
97.02936	0.4
98.20634	0.4
103.05564	0.2
106.51026	0.3
107.05037	0.7
108.02136	1.4
109.02953	12.5
110.03313	0.3
111.00890	0.3
115.05523	0.4
119.05044	0.5
121.02956	3.1
122.03725	0.3
123.00892	2.1
123.04526	1.9
124.01624	0.8
125.02444	3.2
125.09732	0.4
131.04994	0.7
133.02924	0.3
133.06584	0.7
134.03679	0.3
135.04514	2.8
136.01662	32.1
137.02451	25.6
138.02863	0.8
143.05037	0.5
145.02910	0.6
145.06635	0.3
146.03691	0.8
147.04515	1.0
149.02438	1.5
149.06073	0.9
149.99597	0.5
151.00366	0.6
151.04010	26.2
152.04333	1.1
153.19221	0.3
158.03758	0.6
159.04506	4.2
160.05234	1.0
161.02431	1.3
161.06097	1.7
162.03172	1.0
162.06874	0.5
162.21181	0.3
163.03986	1.3
165.01999	0.3
171.10243	1.3
173.02376	0.3
173.06018	0.3
174.03139	0.5
175.04012	3.0
175.07631	0.7
176.04759	0.8
177.01895	1.1
177.05565	1.9
177.09241	0.4
179.03529	0.4
186.03226	0.4
187.03987	4.9
188.04442	0.4
189.05588	1.8
190.02713	0.5
190.06264	0.7
191.05511	0.4
191.07103	0.9
201.05551	0.4
203.03540	1.3
205.05049	2.1
209.11899	0.6
211.07658	0.5
217.05177	0.3
218.05833	2.0
219.06290	0.4
233.08124	1.3
237.14865	0.3
239.06992	0.6
253.08672	0.9
254.09282	0.5
267.06628	0.5
283.09720	0.3
295.09454	0.4
297.11484	0.3
313.07153	0.6
313.10663	0.3
325.20142	0.5
327.08734	0.3
327.12424	0.4
328.09174	0.3
341.06653	1.0
341.10327	0.4
343.11847	21.1
344.12155	2.2
355.08264	0.9
356.08923	1.3
357.09335	0.4
371.11331	100.0
372.11691	13.2
373.12793	1.7
378.61655	0.2
531.16394	0.3
550.98175	0.3
597.91028	0.3
697.22980	1.3
715.24023	1.0
715.37646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23756	0.4
59.01373	1.0
61.98833	2.7
65.03947	0.8
67.01907	0.5
68.99829	0.5
69.03457	1.1
69.86860	2.3
71.01375	0.9
73.44044	0.5
75.00864	0.9
83.01382	1.3
83.05008	0.5
84.02151	0.5
85.02966	0.5
93.03459	1.3
95.01373	3.9
97.02975	0.5
98.20683	0.5
108.02145	1.5
109.02953	11.2
121.02952	3.0
123.00873	2.8
123.04517	2.8
124.01630	0.8
125.02458	2.7
131.05002	1.1
133.02950	0.5
133.06584	1.0
134.03752	0.5
135.04500	4.3
136.01657	47.2
137.02457	30.0
138.02841	0.7
143.04962	1.0
145.02887	0.7
146.03703	1.2
147.04483	1.0
149.02435	1.9
149.06018	0.9
150.03209	0.5
151.04001	38.8
152.04318	1.6
154.78076	0.5
158.03732	0.7
159.04489	5.0
160.05226	1.9
161.02402	2.1
161.06068	2.1
162.03189	1.3
163.03979	1.2
171.10260	1.0
174.03299	0.7
175.03960	2.0
175.07629	1.2
176.04736	1.1
177.01938	0.7
177.05588	2.5
186.03221	0.5
187.04004	5.7
188.04726	0.5
189.05551	1.6
190.02733	0.8
190.06053	0.7
191.05598	1.0
191.07135	0.7
203.03448	1.1
205.05055	2.2
209.11874	2.7
218.05777	1.8
227.12788	0.5
233.08211	1.1
239.07066	0.9
253.08769	1.4
254.09267	0.8
263.46487	0.5
267.06641	0.6
268.32513	0.5
297.11337	0.6
328.09488	0.6
341.06512	0.8
341.10117	0.6
343.11835	46.5
344.12213	4.4
355.07996	1.0
356.08911	0.9
357.09424	0.7
371.11316	100.0
372.11649	11.6
373.12943	1.9
425.39600	0.5
697.22668	2.2
715.23547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49176	0.2
55.01888	0.3
57.32663	0.2
61.98824	0.8
65.03952	0.8
67.01903	0.8
68.99808	0.3
69.03460	0.5
70.62031	0.6
71.01372	0.4
83.01374	1.3
84.02181	0.4
93.03431	1.3
95.01395	2.7
95.06092	0.2
97.02952	0.5
97.99210	0.2
107.05023	0.7
108.02174	1.9
109.02948	13.8
110.03271	0.5
111.00878	0.3
115.05543	0.3
117.03482	0.3
117.07093	0.3
118.98468	0.2
119.05053	0.3
121.02959	2.7
122.03751	0.3
123.00906	2.0
123.04519	1.9
124.01659	0.8
125.02447	3.2
125.09737	0.5
130.04268	0.3
131.05042	1.0
133.06609	0.9
134.03752	0.4
135.04532	2.9
136.01660	35.8
137.02451	29.8
138.02841	0.9
143.05003	0.7
145.02942	0.7
146.03728	1.0
147.04517	1.4
149.02466	1.5
149.06067	0.7
149.99591	0.4
150.03194	0.5
151.04005	27.2
152.01227	0.4
152.04362	1.1
153.01967	0.2
156.14507	0.2
158.03679	1.2
159.04517	3.8
160.05319	1.2
161.02444	1.2
161.06090	1.7
162.03171	0.5
163.04016	1.6
171.10204	0.3
173.02396	0.3
173.04669	0.3
173.06050	0.4
174.03195	0.6
175.03981	2.7
175.07646	0.6
176.04761	0.7
177.01900	0.9
177.05556	2.2
177.26616	0.2
179.03468	0.5
186.03302	0.3
187.03998	7.5
188.04564	0.4
189.01923	0.3
189.05562	1.8
190.02727	0.5
190.06287	0.7
191.05585	0.3
191.07118	0.9
192.04305	0.4
201.05489	0.3
202.06021	0.3
203.03470	1.8
204.04314	0.3
205.05046	2.1
209.11885	0.3
211.13412	0.4
217.05064	0.6
218.05798	2.0
219.02971	0.3
219.06438	0.3
221.15439	0.5
225.09265	0.3
233.08221	1.3
236.10669	0.5
253.08734	0.8
265.05014	0.4
267.06488	0.6
268.07431	0.3
280.07260	0.3
293.17685	0.3
295.09863	0.3
295.58334	0.2
297.07571	0.3
297.11227	0.3
313.06992	0.4
313.10864	0.3
327.08716	0.6
327.12329	0.4
341.06644	0.7
341.10397	0.3
343.11841	23.6
344.12158	2.5
355.08121	0.9
356.08881	1.2
357.09467	0.3
371.11322	100.0
372.11685	10.8
373.12936	2.1
531.16504	0.4
697.23273	1.3
698.23010	0.4
715.23737	0.9
715.36743	0.2
716.24628	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61508	0.4
61.98821	1.5
65.03959	0.8
67.01888	1.0
68.99806	0.6
69.03114	0.4
69.03451	2.1
71.01375	0.6
71.53902	0.5
83.01402	1.2
84.02168	1.5
93.03465	1.7
95.01391	6.4
97.02977	1.3
105.03511	0.6
108.02184	2.5
109.02954	13.5
113.94899	0.4
116.92875	0.4
117.20798	0.4
119.05018	1.0
121.02963	7.8
122.03719	1.2
123.00887	4.2
123.04530	5.0
124.01687	2.5
125.02441	3.2
131.05040	1.0
133.02914	0.7
133.06563	1.3
135.04517	5.7
136.01657	66.6
137.02457	38.2
138.02890	1.6
141.07353	0.4
143.05000	1.0
145.02986	1.0
146.03777	1.2
147.04483	2.6
149.02460	2.1
150.03214	0.6
151.04002	54.4
152.01149	0.6
152.04352	1.6
153.01921	0.8
158.03697	0.8
159.04510	5.0
160.05321	2.4
161.02406	1.5
161.06078	3.2
162.03178	2.1
163.04004	3.9
164.04683	0.5
171.04562	0.5
173.06142	0.8
174.03154	1.0
175.03984	4.3
175.07610	1.2
176.04759	6.7
177.01863	1.2
177.05536	4.1
179.03514	1.5
187.03987	6.4
188.04590	0.7
189.05536	2.6
190.02737	0.8
191.07129	1.6
192.04311	0.5
201.05551	0.9
203.03481	1.6
203.07196	0.5
205.05035	2.3
209.11916	0.9
211.07678	0.5
218.05771	1.5
233.08133	1.5
239.07033	1.0
241.05031	0.4
253.08786	2.8
254.09151	1.0
263.07120	0.6
265.04602	0.4
267.06561	0.5
268.07257	0.5
281.08209	0.6
283.09814	0.9
293.54388	0.5
297.11053	0.5
311.09390	0.7
313.07352	0.5
327.12228	0.7
341.06610	0.9
341.10257	19.7
342.10962	7.2
343.11841	72.8
344.08035	0.5
344.12143	7.9
355.08154	0.7
356.08881	1.3
371.11337	100.0
372.06985	0.8
372.11679	14.2
373.12466	6.2
411.18094	8.9
411.23218	0.3
533.13708	0.5
669.23358	0.6
687.24207	0.8
697.23096	3.6
698.23328	0.7
715.24066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98571	0.5
61.98821	2.9
65.03968	0.9
66.10768	0.5
66.65588	0.6
67.01891	1.0
69.03469	2.1
69.68838	2.8
82.86864	0.6
83.01395	2.0
84.02165	1.2
85.02973	0.9
93.03466	2.4
95.01382	5.7
95.05012	0.5
97.02964	0.6
108.02196	2.8
109.02953	13.8
119.05011	0.6
121.02960	7.5
122.03761	1.1
123.00878	2.5
123.04542	4.0
124.01646	2.0
125.02459	2.5
131.05017	1.5
133.02960	1.1
133.06635	1.1
134.03764	0.8
135.04527	5.8
136.01665	74.8
137.02460	39.3
138.02791	1.2
143.04999	1.0
145.03014	1.1
146.03732	1.6
146.52740	0.6
147.04527	1.8
149.02435	1.7
149.06076	0.8
151.04008	59.1
152.04420	2.7
158.03696	0.9
159.04517	6.3
160.05283	2.5
161.02435	1.5
161.06042	3.0
162.03224	1.3
163.04034	2.6
174.03246	1.4
175.03949	3.4
175.07623	1.5
176.04741	4.9
177.01974	1.4
177.05554	4.1
179.03470	1.0
182.88210	0.6
183.22467	0.5
187.04010	6.7
188.04689	0.8
189.05550	3.1
190.06215	0.8
191.07135	1.9
203.03484	1.9
205.05070	1.6
211.07758	1.0
218.05823	2.0
226.09984	0.9
227.57207	0.6
233.08286	1.2
239.07072	1.9
251.24774	0.5
253.08708	3.3
254.09500	1.2
267.06607	0.7
283.09711	1.1
297.11072	0.8
308.41946	0.6
311.09338	0.6
328.09439	0.9
336.29190	0.6
341.06638	1.1
341.10266	18.4
342.10806	3.2
342.14587	0.6
343.11859	81.7
344.12161	8.4
355.08475	0.6
356.09167	0.9
371.11334	100.0
372.11664	11.6
373.12833	4.4
391.29462	0.6
531.16449	0.7
669.23615	0.7
697.22839	3.5
698.23059	1.0
715.23633	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	715.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01379	15.3
64.81753	0.2
68.99821	1.2
69.03459	0.8
69.21515	1.8
69.21920	0.6
71.01381	3.9
72.17397	0.3
73.02948	0.8
79.01882	0.6
81.03459	0.8
83.01389	0.5
83.39616	0.3
85.02950	7.5
93.03462	0.8
95.00815	0.5
95.01388	6.8
96.99322	0.3
99.00873	0.5
101.02451	2.2
107.04992	0.4
108.02176	35.4
109.02953	100.0
110.03290	3.5
110.39832	0.3
113.02446	1.1
120.68918	0.2
121.02923	0.3
123.00890	5.9
123.04568	0.3
125.02402	0.3
135.04483	0.7
143.03517	0.2
151.04013	4.8
152.93565	0.3
154.95836	0.3
161.04533	0.6
163.03992	0.3
193.05087	1.5
203.05600	7.1
204.05890	0.3
253.07162	2.1
313.09280	22.8
314.09695	1.9
564.02612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95168	0.4
59.01379	28.7
59.86732	0.6
62.24228	0.5
63.38922	0.5
64.99833	0.5
65.00339	0.7
71.54133	0.8
72.99321	3.3
79.43472	0.6
95.35714	0.6
103.05523	1.5
107.01407	1.6
108.02192	1.3
109.02981	0.6
119.05016	4.8
121.02938	0.9
138.06047	0.5
147.04515	76.8
148.01672	0.7
148.04898	3.3
151.00363	6.5
163.00359	1.2
165.05560	62.9
166.05844	3.2
173.31395	0.6
178.99892	3.4
184.70552	0.5
187.03911	0.6
193.01373	0.7
207.06613	49.8
208.06909	3.0
226.02744	1.4
227.03467	2.0
229.05344	0.6
243.02953	5.3
245.04672	0.8
254.02132	1.2
255.02975	13.8
256.03415	0.7
271.02463	34.2
272.02844	3.4
283.02353	1.1
299.02057	0.8
300.02722	69.4
301.03409	32.9
302.03870	2.5
431.09436	0.6
463.08798	100.0
464.09207	12.2
532.24219	0.6
663.31055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35060	0.2
57.41420	0.2
59.01383	0.4
61.15255	0.2
61.98831	100.0
62.98513	0.2
64.19115	0.2
68.30110	0.2
69.03448	0.3
81.03409	0.2
83.82323	0.2
93.03473	0.3
95.01399	0.4
96.96014	0.4
101.02445	0.4
109.02976	0.8
116.75571	0.2
121.02970	0.9
123.04565	0.5
136.01654	0.3
137.02457	1.2
138.02847	0.4
139.63577	0.2
147.04501	0.2
159.04533	0.3
175.04082	0.6
176.04808	0.9
177.05145	0.3
185.17026	0.2
187.03912	0.2
236.34840	0.2
253.21881	0.3
281.67145	0.2
311.09241	0.3
328.09750	0.2
341.10287	2.1
342.10678	1.6
343.11359	0.4
344.12268	0.3
355.08264	0.4
356.08313	0.4
371.11288	3.4
372.11694	4.2
373.12234	0.6
397.13394	0.3
399.14313	0.2
508.00229	0.3
571.15240	0.2
608.78558	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	1.7
59.01382	25.3
61.98819	2.8
69.03465	1.1
71.01382	25.6
71.44354	1.2
72.99310	2.6
73.02951	3.2
81.03464	0.8
83.01389	2.6
85.02950	4.5
87.00893	5.5
87.15572	0.8
89.02015	0.9
89.02445	21.6
93.09899	1.0
95.01399	1.7
97.02937	4.2
99.00902	1.0
101.02439	19.5
111.04513	1.1
113.02450	8.8
116.92810	1.0
119.03493	6.3
125.02460	8.6
129.01904	0.8
131.03532	1.0
143.03488	3.1
161.04538	4.1
179.05605	5.0
221.06609	1.7
235.08223	8.8
253.09146	2.0
255.23282	69.7
256.23672	6.2
287.07813	3.2
305.08749	2.3
323.09882	1.1
369.09604	0.8
371.11038	1.0
397.13480	100.0
398.13730	9.5
415.14539	25.7
416.14661	2.0
435.95572	0.7
637.63580	0.8
653.37543	7.5
654.37958	1.2
702.07593	0.9
733.47003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.2
57.88576	0.5
59.01390	0.4
64.39938	0.4
66.59515	0.4
69.29568	2.9
70.11062	0.4
71.01375	0.5
83.01400	1.0
85.02953	20.0
85.03471	0.9
91.01897	0.9
96.36327	0.4
111.00889	2.1
119.78588	0.4
123.04543	2.3
129.01942	10.8
146.18190	0.4
147.03001	1.4
149.13554	0.4
152.01147	0.6
167.03488	7.8
173.00922	3.5
191.01939	1.4
201.81413	0.4
207.47337	0.4
222.92407	0.4
235.05988	0.7
267.06625	0.5
297.06110	0.6
341.05035	1.7
341.10043	0.4
342.05490	0.4
353.10260	1.1
677.49408	2.3
713.47369	100.0
714.47705	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
57.03445	6.1
58.45020	1.0
59.01383	54.2
60.55017	1.0
61.98828	5.1
68.99817	1.4
69.03436	1.4
69.65813	5.5
71.01385	20.7
72.99296	3.6
73.02956	6.1
75.00851	1.5
81.56043	1.1
83.01390	5.6
85.02952	41.0
86.00091	4.1
86.03309	1.1
87.00878	8.1
89.02452	6.7
93.03445	1.2
95.01383	3.6
96.96007	1.8
97.02946	1.2
97.67822	0.9
99.00874	4.1
101.02443	14.2
108.02174	1.6
111.00896	9.4
113.02473	8.0
119.03527	2.4
123.00878	1.0
123.04515	3.3
124.01682	2.2
125.02424	3.7
129.01956	10.2
132.05804	2.0
133.06627	1.9
134.03752	1.1
135.04492	1.3
139.05183	1.0
141.01941	6.6
144.05812	1.9
145.02986	1.3
145.06578	1.4
146.07387	7.6
147.03004	2.4
147.08093	1.4
152.01262	1.4
159.03088	1.2
161.02426	1.4
164.04770	1.4
167.03496	6.2
173.00905	4.4
176.04695	1.7
178.06334	9.0
191.01991	3.2
191.05690	1.1
193.05127	1.3
217.75049	0.9
235.06027	1.6
248.26205	1.1
255.17522	3.8
257.19031	1.3
264.33011	1.0
267.06381	1.1
267.17551	4.6
273.18604	11.5
277.08780	1.1
285.18613	30.2
286.18890	3.4
287.20172	42.3
288.20297	5.6
297.05984	2.1
301.21625	4.1
309.18704	1.2
327.19614	1.6
329.21149	2.5
341.05173	2.7
353.10248	2.0
357.20840	1.5
417.23016	5.6
429.22778	10.4
430.22818	2.4
435.23862	20.5
436.24234	3.3
445.25702	1.4
447.23871	77.5
448.24216	12.0
465.24979	47.2
465.31708	1.9
466.25320	9.6
477.24942	17.1
478.25479	2.3
489.24921	79.9
490.25314	14.5
507.25977	100.0
508.26385	16.0
696.54578	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.2
57.03453	10.8
58.00578	1.0
59.01382	22.4
60.01751	1.1
61.98832	7.0
68.99814	0.9
71.01386	12.2
72.99313	1.8
73.02943	3.6
75.00896	0.8
83.01389	5.7
84.02159	1.2
85.02953	100.0
86.00112	1.6
86.03288	2.8
87.00887	2.9
87.23161	0.8
89.02441	3.0
91.01897	1.5
93.03463	1.5
95.01402	1.4
96.96033	1.7
97.02966	0.9
99.00885	2.4
101.02454	6.3
103.00381	1.2
108.02165	2.8
109.02950	1.8
111.00886	15.4
113.02440	3.4
119.05013	1.6
121.02952	1.3
123.00845	2.4
123.04539	7.1
124.01643	1.4
125.02455	2.3
129.01944	22.3
130.02271	1.6
130.68166	0.8
132.05847	1.5
134.03719	2.5
135.04527	1.5
136.01587	0.9
137.02405	1.8
140.51814	0.9
141.01956	2.5
145.02837	0.9
146.07394	3.2
147.03008	7.6
149.02422	1.8
149.06084	1.0
151.04004	1.6
152.01181	2.8
160.01659	1.8
164.04752	1.7
166.02669	0.8
167.03503	17.2
168.03868	1.3
173.00934	10.2
175.03986	2.7
176.04608	1.0
178.02689	1.4
178.06364	2.8
179.03453	1.1
179.07077	1.3
182.02216	1.0
191.01996	6.9
191.03526	1.3
191.05614	2.2
192.04205	0.9
193.05086	3.5
194.05505	1.1
197.04576	1.6
205.05228	1.2
207.06606	3.0
209.04440	1.0
223.06079	1.7
235.06152	6.8
251.06914	1.2
255.17578	2.0
267.06598	3.7
267.17496	2.3
268.06995	1.2
271.02295	0.9
273.18665	6.9
279.06641	1.0
282.08984	1.6
285.18625	11.8
287.20181	14.8
288.20309	1.2
297.06293	4.0
297.11276	1.6
301.21463	1.3
303.16037	3.5
303.19318	1.0
309.07248	1.3
310.08362	1.1
326.07959	0.9
329.21194	1.5
338.08047	1.8
341.05554	5.0
341.09921	5.4
353.10266	6.4
371.11319	1.0
417.23001	2.9
429.22693	3.0
435.23901	11.4
436.24362	1.5
447.23886	25.5
448.24130	3.6
465.24942	32.2
466.25391	4.0
477.25162	6.5
478.25571	1.0
489.24969	12.6
490.25122	2.4
501.13834	1.1
503.08264	1.4
504.09247	1.1
507.26038	57.1
508.26450	10.9
545.13312	1.3
563.14630	1.1
713.19910	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	713.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08792	0.6
57.03440	0.7
59.01381	8.7
61.98817	3.0
70.71451	1.2
71.01378	6.6
72.30460	0.6
72.99313	0.7
73.02964	0.8
85.02953	2.2
87.00884	0.9
89.02440	4.0
93.03474	1.0
99.76012	0.7
101.02414	3.0
107.75723	0.7
108.02170	1.5
109.02937	2.2
113.02467	2.1
117.03480	2.3
119.03502	1.7
119.05013	0.7
121.02985	1.5
123.04511	0.8
132.02176	18.4
133.02986	3.9
134.03737	38.6
135.04485	2.3
136.01665	7.4
137.02464	3.4
145.02974	0.9
146.03722	3.9
147.04517	2.5
148.05330	1.2
149.02461	1.9
149.04367	0.9
149.04982	0.8
149.06082	6.5
150.03250	6.2
151.04010	7.4
158.03700	0.9
159.04517	1.2
160.01657	76.5
161.02357	6.9
161.06076	1.5
161.76280	0.7
162.03163	0.7
163.04033	1.0
164.04756	3.7
165.05577	5.5
167.03494	0.9
173.06058	1.8
175.03993	100.0
176.04614	8.8
177.01918	1.1
177.05643	0.9
177.59125	0.9
178.02725	4.6
179.03511	1.8
179.05649	0.6
179.07138	2.3
182.49525	0.6
187.04036	1.8
188.04745	1.2
191.05605	1.5
191.07129	9.7
192.04272	1.2
193.05046	38.2
194.05370	2.2
195.06602	2.9
201.05428	0.8
202.06314	1.3
203.07121	0.8
207.06653	3.3
217.05055	1.3
220.03809	1.5
235.06087	25.8
236.06442	1.5
263.07236	1.5
265.07190	9.7
266.07501	1.2
270.40994	0.6
278.09250	0.6
279.06577	1.8
282.08887	0.7
293.08069	1.0
294.09033	1.7
295.08145	13.7
297.11176	0.6
309.07727	0.7
309.11157	1.4
312.10046	0.7
323.09402	0.9
323.53564	0.7
324.09933	3.5
325.10617	1.4
327.12292	1.5
337.09262	13.9
338.09503	0.9
339.12323	16.0
340.12769	1.3
355.10349	5.4
374.35513	0.7
458.51233	0.7
508.82608	0.7
519.18451	2.4
533.16388	3.6
537.19806	6.5
538.20038	1.0
581.22327	0.8
589.19434	1.8
685.71326	0.9
695.23438	16.7
696.23871	3.8
713.24359	39.2
714.24872	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	713.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68453	0.2
61.98825	0.3
65.03972	0.7
65.81612	0.2
67.01898	1.1
68.99814	0.2
69.03461	6.0
69.23000	1.7
71.01391	0.4
79.05534	0.3
81.03467	0.4
81.42274	0.2
83.01382	1.2
84.02161	1.4
88.84653	0.2
88.91085	0.2
89.03960	0.3
91.01897	0.2
91.05569	0.2
93.03471	3.0
94.19216	0.2
95.01389	5.6
95.05031	0.6
97.02964	0.7
100.89381	0.2
103.05531	0.3
105.03442	0.3
107.01359	0.4
107.05033	0.7
108.02167	1.2
109.02953	14.1
110.03309	0.5
111.00890	0.4
115.05588	0.4
117.03482	0.8
119.05038	1.8
121.02960	12.8
122.00065	0.2
122.03763	3.3
123.00888	2.7
123.04533	10.4
124.01664	1.0
124.04826	0.5
125.02483	2.8
130.04250	0.4
131.05060	2.1
133.03021	0.3
133.06601	1.9
135.04523	2.0
136.01672	4.8
137.02446	22.4
137.06032	0.4
138.02808	0.4
139.04062	0.5
143.05026	1.7
145.02950	2.2
145.06615	0.3
146.03772	1.1
147.04535	4.7
149.02435	2.6
149.06062	0.7
149.99620	0.3
150.03094	0.3
151.00293	0.3
151.04004	2.6
152.01033	0.2
153.01909	0.3
154.02760	0.5
158.03711	1.4
159.04515	4.8
160.05310	1.3
160.71846	0.2
161.02388	1.1
161.06081	1.7
162.03232	0.7
163.04001	1.2
165.05568	0.8
171.04512	1.0
173.02452	0.4
173.06065	1.7
174.03244	0.7
175.04007	7.1
176.04788	25.5
177.01959	1.3
177.05348	2.0
179.03511	0.4
186.03271	0.5
187.03995	5.7
188.04549	0.7
189.05573	2.8
190.02744	0.8
190.06310	0.6
191.03354	0.3
191.07161	0.3
192.04320	0.3
199.07710	0.3
201.05609	0.5
202.02757	0.3
203.03459	1.2
204.04214	0.3
205.05078	1.9
205.08640	0.3
211.03979	0.3
211.07614	0.7
213.05545	0.3
218.05824	2.3
223.07632	0.6
225.09305	0.4
226.06296	0.3
226.10010	0.7
233.08110	1.2
234.08487	0.3
238.09894	0.3
239.07104	1.5
241.08818	0.3
247.07652	0.4
249.05560	0.4
252.07867	0.3
253.08713	3.0
254.09334	1.4
263.07135	2.1
264.07913	1.6
265.05469	0.3
265.08621	2.0
266.09106	0.3
267.06607	0.4
269.08316	0.3
269.11700	0.5
279.06662	0.4
281.08133	0.8
282.09119	0.3
291.06595	0.7
292.07321	1.3
293.08215	2.8
295.09708	0.2
299.12802	0.7
311.09329	3.2
312.09659	0.4
313.07031	0.5
313.10452	0.3
323.09146	1.3
325.10776	0.3
327.08746	0.4
327.12265	0.7
337.25723	0.3
340.09467	0.3
341.10284	71.8
342.10629	7.5
343.11850	19.5
344.12225	2.3
353.10382	0.4
355.08261	1.2
356.08820	1.3
371.11331	100.0
372.11697	11.4
373.12881	2.3
374.13351	0.3
435.24341	0.2
645.72937	0.2
685.22418	0.5
695.21393	2.9
696.21472	0.9
713.22345	0.9
732.07257	0.2
743.76068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
59.03772	0.2
59.98768	0.3
61.98826	2.0
63.49162	0.3
65.03964	0.7
67.01899	0.6
68.76157	0.2
68.99805	0.4
69.03455	5.6
69.50543	2.1
71.01382	0.9
73.02958	0.2
79.05545	0.3
81.14503	0.3
82.31628	0.3
83.01369	1.5
84.02159	1.4
85.02972	0.3
86.39317	0.3
88.91055	0.3
89.02447	0.6
93.03455	3.2
95.01388	3.9
95.05035	0.5
96.23437	0.3
97.02946	0.7
101.02467	0.3
103.22051	0.3
105.03475	0.5
107.01388	0.4
107.05017	0.8
108.02184	1.1
109.02951	14.7
110.03277	0.4
111.00871	0.5
113.02454	0.4
115.05605	0.3
117.03493	0.4
117.07119	0.4
117.40417	0.3
119.05023	1.5
121.02953	10.7
122.03761	3.1
123.00906	2.2
123.04527	8.2
124.01666	1.2
125.02454	3.3
130.04282	0.4
131.05029	1.4
133.02980	0.4
133.06563	1.8
135.04503	1.9
135.21225	0.3
136.01662	4.6
137.02440	21.4
137.06090	0.4
138.03043	0.5
139.00314	0.4
143.05084	1.6
145.02927	2.4
146.03719	1.0
147.04535	3.6
149.02417	2.2
149.06108	0.7
149.99570	0.5
150.03200	0.5
151.00433	0.4
151.04002	3.0
158.03693	1.5
159.04489	5.0
160.05251	1.2
161.02409	1.5
161.04880	0.4
161.06062	2.2
162.03198	0.7
163.03992	1.2
165.05609	0.8
171.04530	1.0
173.06114	1.6
173.07365	0.3
174.03201	0.6
175.03990	6.6
176.04778	21.0
177.01904	1.2
177.05423	1.9
186.03102	0.4
187.03992	6.2
188.04549	0.6
189.05544	2.6
190.02713	0.5
190.06316	0.8
191.03413	0.4
191.07031	0.4
192.04332	0.3
199.07549	0.3
201.05585	0.5
203.03523	1.8
205.05037	1.8
207.26593	0.3
211.07610	0.5
215.10973	0.3
217.05025	0.6
218.05858	1.7
225.09145	0.4
226.09914	0.4
233.08141	1.4
235.08087	0.5
236.08467	0.4
238.06047	0.3
239.07158	1.1
251.07224	0.4
253.08685	2.5
254.09367	1.1
263.07120	1.2
264.07895	1.6
265.08664	1.7
267.06525	0.5
277.21655	1.6
279.06473	0.3
281.08197	0.4
291.06506	0.5
292.07309	1.1
293.08066	2.0
294.08655	0.4
295.06131	0.3
299.12869	0.5
309.07507	0.4
311.09183	2.5
312.09430	0.3
313.06995	0.5
323.09195	1.2
327.08960	0.6
327.12415	0.8
341.10272	56.6
342.10562	5.0
342.14340	0.5
343.11847	13.7
344.12155	1.5
353.10287	0.4
355.08307	0.7
356.08832	1.3
371.11319	100.0
372.11676	11.2
373.12900	2.0
374.13028	0.4
397.13400	3.0
398.13788	1.1
414.78351	0.3
415.14532	1.0
577.37976	0.4
667.21490	0.4
685.22815	0.3
695.21106	1.6
696.21887	0.7
711.03296	0.3
713.21985	0.6
713.33472	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	713.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18031	0.5
57.03440	1.6
59.01371	1.8
59.80379	0.6
65.03989	0.6
67.01897	0.7
69.03435	0.7
69.38377	0.5
71.01381	0.8
71.54977	1.0
73.02978	0.6
73.32879	0.6
81.03461	6.0
83.01387	8.1
85.02958	4.6
87.68487	0.6
93.03448	1.6
93.40493	0.6
95.01398	1.3
95.05020	8.6
97.02970	3.4
99.04522	2.1
101.02454	0.6
107.05030	2.4
108.02168	0.7
109.02972	2.0
111.00906	0.8
111.04524	0.7
115.03973	0.6
121.02981	1.7
121.06641	0.6
122.03751	1.2
123.00887	0.5
123.04533	13.7
124.04861	0.6
125.02464	13.7
129.01933	1.5
131.32274	0.5
135.04532	1.4
137.02435	1.8
137.06091	11.0
139.04015	4.6
141.05554	0.9
147.02969	0.6
147.04544	0.8
149.02493	1.2
149.06093	3.5
150.03271	1.0
151.00430	0.6
151.04028	3.8
153.05563	1.1
155.03505	0.6
161.02393	0.7
163.00398	0.8
163.03882	0.7
164.04854	0.7
165.01939	1.2
165.05591	3.4
167.03496	43.2
168.03848	1.8
173.06108	1.3
175.04068	0.8
176.04829	1.0
177.05569	2.4
179.03487	8.5
180.04033	0.9
181.05028	3.5
191.02034	1.1
191.03583	1.4
191.07149	3.5
192.04289	0.6
193.05034	7.0
197.04573	1.7
204.04208	1.0
205.01390	0.9
206.02162	4.8
207.02933	0.7
207.06633	1.8
209.04547	88.0
210.04823	4.7
219.03059	3.4
219.06569	2.1
220.03778	1.8
221.04535	6.3
223.06119	3.6
233.04485	1.6
235.06105	24.6
236.06380	1.7
239.05608	34.2
240.05954	1.6
248.03242	2.1
249.03806	0.7
251.05511	1.9
261.07452	0.7
262.04831	1.7
263.05591	54.0
264.06009	4.0
265.07352	2.6
275.05579	2.8
277.07242	0.8
293.06631	6.1
295.08044	0.8
300.02814	0.8
301.03531	0.9
305.06558	0.8
311.07782	2.6
323.07727	0.8
329.08765	28.9
330.09113	2.2
365.08725	3.6
383.09814	100.0
384.10138	10.9
391.11835	0.6
404.09180	0.6
447.09213	1.1
452.68533	0.6
473.10864	4.6
486.90820	0.6
503.11884	0.8
575.13818	1.7
593.15216	12.2
594.15399	1.9
695.17493	0.8
713.19214	9.6
714.20258	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	713.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
57.03450	12.2
59.01381	6.4
60.52449	0.5
61.98833	3.9
65.00308	0.5
67.01885	0.8
68.99814	0.7
71.01389	4.9
72.99310	1.4
73.02939	1.8
75.00866	1.3
75.93086	0.4
81.03490	0.5
83.01385	5.8
84.02178	2.2
85.02952	100.0
86.03278	2.1
87.00877	2.0
89.02445	1.0
91.01893	1.3
93.03477	0.6
96.96013	1.4
97.02969	0.5
98.19849	0.9
99.00871	0.6
101.02431	2.3
103.00381	0.6
108.02161	2.4
109.02945	1.2
110.25316	0.4
111.00170	0.7
111.00883	10.7
112.22611	0.4
113.02492	1.1
115.00384	0.6
121.02985	0.5
123.00894	1.6
123.04527	7.1
124.01667	1.3
125.02439	1.5
129.01947	26.7
130.02232	0.6
134.03752	1.7
135.04468	0.8
137.02478	0.8
145.01491	0.7
147.02982	9.2
147.04221	0.7
147.04521	0.5
149.06036	0.5
151.00357	0.5
151.04047	0.5
152.01164	2.4
153.01947	0.5
160.01666	1.4
161.02361	0.7
164.04781	0.7
166.02727	0.8
167.03487	17.2
168.00676	0.6
168.03758	0.9
173.00914	11.8
173.04497	0.5
174.03207	0.9
175.04030	1.1
176.04720	0.6
178.02603	0.6
178.06401	0.6
179.03511	0.9
179.07114	0.5
181.04974	0.7
191.01968	9.2
191.03662	0.8
191.05626	1.3
192.02432	0.4
192.04283	1.0
193.05052	2.0
207.06607	1.1
209.04552	0.8
209.06436	0.6
229.34860	0.6
235.06131	5.2
251.07127	0.9
263.07184	0.5
267.06488	1.5
273.18628	1.1
277.05096	0.5
279.06671	0.8
282.09079	0.6
285.18561	2.6
287.20142	3.9
294.08981	0.7
297.06186	5.3
298.06366	0.6
299.01688	0.5
305.04572	0.9
309.07733	0.9
323.05551	1.5
323.09015	0.9
326.07825	0.5
335.09027	0.8
337.09436	1.2
338.07968	1.0
341.05121	5.9
341.10162	2.4
353.10324	6.1
354.10394	0.7
371.11429	1.0
409.12634	0.6
421.12888	1.4
429.22763	0.8
435.23880	1.7
447.23932	6.6
465.25015	4.2
477.24985	1.4
489.25031	4.8
501.13980	1.7
507.26221	6.3
508.26334	0.9
545.13202	1.2
563.13983	1.5
618.32666	0.5
655.15588	0.5
713.23730	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	713.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11108	0.7
55.01871	2.7
56.03711	0.6
57.03447	10.9
58.00589	0.7
59.01380	20.5
61.98838	5.2
67.01876	0.6
69.37186	1.9
69.37601	3.0
71.01380	10.9
72.99303	1.7
73.02945	2.7
83.01384	6.9
84.02166	2.2
85.02951	100.0
86.00094	1.0
86.03288	2.0
87.00874	5.1
88.98856	0.9
89.02436	3.5
91.01887	1.9
93.03443	1.0
95.01385	0.8
96.96017	2.3
97.02945	0.9
99.00877	2.8
101.02435	6.8
108.02211	1.8
109.02963	1.5
111.00881	11.4
112.79455	0.8
113.02444	4.4
121.02946	1.9
123.00887	2.3
123.04536	6.0
124.01675	1.4
125.02451	2.6
129.01942	23.3
132.05823	0.7
134.03740	3.3
136.01634	1.0
137.02475	1.9
141.01942	1.7
145.03043	0.8
146.07414	1.6
147.03014	7.4
149.02477	1.0
149.06062	1.5
150.03154	0.8
152.01163	2.1
160.01624	1.6
163.04022	0.9
164.04781	1.6
165.05560	1.0
167.03485	17.5
168.03874	1.4
169.01445	0.7
173.00903	9.1
173.04523	1.1
175.03961	1.6
176.04735	0.9
178.06331	3.0
179.03360	0.7
191.01965	7.0
191.05612	1.5
192.04242	1.1
193.05019	3.8
194.05531	0.8
195.06604	0.8
197.04541	1.7
205.05005	0.8
207.06714	1.9
209.04626	1.2
223.06029	0.8
235.06116	6.6
251.07126	0.9
255.17650	1.7
257.19073	0.8
267.06631	3.2
267.17532	1.6
273.18582	6.0
279.06754	1.4
281.08359	0.8
285.18567	11.4
286.18817	0.9
287.20148	12.7
288.20523	1.4
294.05554	0.8
294.09180	0.9
297.06073	4.5
301.21674	1.7
303.16211	3.6
303.19098	0.8
309.07825	1.1
323.05557	1.9
326.07947	1.0
329.21045	0.8
335.09225	1.1
338.08002	2.3
341.05148	5.1
341.09961	4.5
342.10294	0.7
353.10278	8.9
354.10782	1.1
417.22922	2.5
429.22717	3.4
435.23846	12.1
436.24368	1.2
447.17664	1.3
447.23868	26.5
448.24399	3.1
465.24982	28.2
466.25259	3.0
477.24979	5.2
489.25037	11.1
490.25400	2.2
501.13977	1.7
503.08325	1.7
504.09299	0.8
507.26019	53.6
508.26251	8.4
509.34567	1.0
563.14270	1.2
713.20605	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	713.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75875	0.4
55.01874	2.0
57.03450	12.9
58.00571	0.4
59.01383	3.7
61.98820	1.2
63.42931	0.4
65.00322	0.7
67.01858	0.5
67.93030	0.5
68.99819	0.7
69.23994	2.7
69.24413	0.9
71.01382	4.0
72.99313	0.6
73.02948	1.2
75.00874	1.3
77.64449	0.4
79.87490	0.4
83.01382	5.5
84.02160	1.8
85.02952	100.0
86.03275	2.0
87.00877	1.2
89.02441	0.9
91.01896	3.3
93.03460	0.7
95.01366	0.7
96.95961	0.5
97.73404	0.3
98.20616	0.8
99.00889	0.5
101.02448	1.4
108.02174	3.8
109.02958	0.8
111.00883	15.2
119.05017	0.4
121.02971	0.8
123.00914	1.0
123.04531	13.2
124.01607	0.9
124.04831	0.7
125.02437	1.5
129.01945	49.1
130.02275	1.3
135.02982	0.5
135.04482	0.5
137.02457	0.7
139.03973	0.5
145.01419	0.6
145.02977	0.6
147.03000	7.7
152.01167	3.5
154.99910	0.5
160.05176	0.4
161.02429	0.9
163.04077	0.4
165.01888	0.5
166.02650	0.5
167.03493	34.8
168.03783	1.0
173.00909	20.0
174.01224	0.8
174.03236	1.3
179.03488	1.0
181.05112	0.6
191.01994	9.1
191.03659	0.8
191.05487	0.6
192.04205	0.8
193.04935	0.5
202.02763	0.6
204.04272	0.6
207.06573	0.5
209.04604	2.4
219.06662	0.5
220.03548	0.6
235.06049	4.1
239.05560	1.3
241.14415	1.4
249.05464	0.6
251.07359	0.5
262.06265	0.6
263.05557	1.1
267.06760	1.9
268.22452	0.4
277.05124	0.5
279.06787	2.0
282.02063	0.4
282.09012	0.7
283.15356	0.8
293.04187	0.5
294.08884	0.7
295.06134	0.7
297.06216	4.7
304.07260	0.6
305.04422	1.0
308.07053	1.0
309.07593	1.0
322.08441	0.4
323.05536	1.5
323.09280	1.6
324.09424	0.5
326.07996	0.6
329.08786	0.5
335.09155	1.2
338.07968	1.3
341.05099	12.7
341.10132	2.5
342.05484	0.8
353.10297	7.8
354.10651	1.1
359.06290	0.5
369.06046	1.8
371.07620	1.2
371.11725	0.6
383.09827	3.1
401.09045	0.4
409.12784	1.1
421.12909	2.3
426.58789	0.4
465.17142	0.7
483.12814	0.7
501.13968	3.2
502.14209	0.5
521.12921	2.0
545.12976	0.7
549.15924	1.1
550.16327	1.7
551.16663	4.2
563.14014	1.2
593.14990	0.5
641.17078	2.1
669.23700	0.6
677.49713	1.5
713.19788	1.7
713.47357	63.6
714.47217	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	712.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54448	0.2
59.01377	2.1
60.01713	0.2
61.98831	100.0
62.98525	0.2
70.49884	0.2
78.95949	0.3
79.34596	0.2
82.20867	0.2
91.18618	0.2
98.19814	0.3
192.62512	0.2
193.24156	0.2
277.21747	0.5
279.22849	0.2
335.91824	0.3
391.74857	0.2
549.36511	0.2
679.65778	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.4
59.01378	9.5
61.98829	47.6
69.26904	1.2
69.27325	2.9
71.01377	3.2
72.99322	0.5
73.02950	1.3
79.95734	5.7
80.91697	0.4
80.96516	2.9
84.02139	0.7
85.02947	2.0
88.39078	0.4
89.02445	1.5
93.03454	1.0
94.98069	1.1
95.95234	1.5
96.96009	100.0
97.02959	0.5
101.02446	2.0
101.76492	0.5
103.00361	4.3
108.02180	1.4
109.02954	0.6
112.96714	0.4
113.02435	1.2
119.03469	0.7
121.02945	1.5
122.03749	0.6
122.97585	0.7
123.04492	0.6
125.02453	1.0
134.97589	1.4
136.01648	0.6
137.02449	0.9
138.97079	1.1
146.03795	0.5
150.06905	0.7
150.97118	0.5
152.98631	3.8
161.02469	0.7
162.06696	0.6
163.03984	0.6
163.07605	0.5
164.98622	0.9
165.01955	0.7
167.03432	0.6
169.71428	0.4
175.03976	0.9
179.05551	0.5
180.98106	0.9
190.06332	0.8
191.05594	2.1
219.06525	0.6
222.99068	0.7
225.00737	1.5
241.00235	22.0
242.00589	0.8
251.60260	0.5
268.07904	0.5
280.85526	0.5
283.01260	4.9
289.07471	0.5
355.11652	0.5
385.12997	2.2
606.19366	2.1
609.32965	0.6
627.13843	20.4
628.13867	3.4
669.14880	22.1
670.15479	4.0
695.12921	1.1
713.13940	16.3
713.28918	1.4
713.41125	1.2
714.14307	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	712.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.9
59.01382	42.8
61.98831	47.1
67.48044	1.3
69.03456	1.6
71.01385	31.2
71.21927	3.2
71.22946	1.2
71.89252	1.2
73.02947	30.0
80.05240	1.3
83.01384	14.2
85.02959	12.3
87.00881	1.6
89.02454	5.7
91.01875	1.3
93.03478	2.6
95.01377	3.0
96.96013	10.5
97.02935	1.7
99.04486	1.3
101.02445	23.9
109.02943	6.9
111.00834	1.8
113.02464	3.7
119.03510	2.0
121.02956	2.7
122.03770	1.6
123.04485	6.4
125.02431	8.4
129.01941	3.9
131.03487	2.1
131.05038	1.6
133.02950	4.1
135.04532	3.6
137.02443	22.5
139.04033	2.0
143.03485	1.7
147.03001	1.4
149.02417	3.9
149.04555	1.5
150.03239	11.4
150.06799	2.5
151.03972	4.0
161.02477	3.6
161.04549	4.6
164.01169	1.7
165.01912	7.4
167.03517	8.5
175.03987	3.2
177.01862	2.3
179.03531	3.0
187.03889	2.0
188.04712	1.9
188.15491	1.6
189.01926	2.2
193.05103	1.9
203.03502	15.5
203.07086	4.4
204.03926	1.9
205.05084	1.8
206.31995	1.3
207.53423	1.6
217.01489	1.5
218.05853	19.3
219.06537	2.0
233.08185	11.4
236.06972	2.3
245.08217	4.6
251.09131	2.2
284.94962	1.3
289.07193	28.3
290.07501	3.8
301.94977	1.4
313.12491	1.6
341.06497	4.0
353.06607	5.0
368.08939	4.7
383.11337	12.2
550.24432	15.3
551.24774	2.3
560.20605	1.7
563.17786	4.8
605.18768	100.0
606.19128	16.1
609.59216	1.8
633.79907	1.6
664.06378	1.6
712.39417	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	712.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03432	0.8
58.00613	0.8
59.01379	30.4
60.81003	0.6
61.98830	100.0
66.16737	0.6
69.03455	1.2
71.01383	16.7
71.55291	0.7
72.99313	1.0
73.02950	20.7
77.30026	0.7
78.86453	0.6
79.95744	0.7
83.01386	6.7
85.02958	2.2
85.96758	0.6
85.98489	0.6
87.00899	1.0
89.02464	2.8
94.03653	0.7
95.86917	0.6
96.96008	14.7
97.02973	1.0
99.00916	0.7
99.26579	0.7
101.02448	15.7
113.02448	3.4
119.03520	0.6
125.02474	1.7
125.54652	0.7
131.03522	1.0
133.02930	0.8
143.03535	0.8
147.04549	1.0
159.04507	1.6
161.04570	2.4
173.04547	0.8
175.03998	1.4
177.05637	0.6
191.05626	2.0
203.03520	8.8
203.05591	0.9
218.05827	11.4
219.06345	1.4
231.40565	0.7
233.08167	7.9
236.06845	1.5
237.06900	0.6
241.00323	2.1
251.09323	0.9
325.07504	0.8
329.52069	0.7
353.06720	3.4
368.08945	3.3
383.11414	8.0
384.11655	1.4
419.24097	0.7
563.18005	2.8
564.18311	1.0
590.16748	1.0
605.18768	61.8
606.19141	9.7
627.14246	1.8
669.14545	1.3
711.39337	0.8
712.40161	0.8
713.14362	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	711.381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
55.46936	0.5
57.03430	0.7
58.00596	1.6
59.01381	27.6
61.98829	1.7
69.03448	1.2
70.99403	0.5
71.01385	23.5
71.54033	0.5
71.54391	0.6
72.99301	1.8
73.02950	4.3
75.00880	0.7
78.95891	1.1
81.03445	1.3
81.93871	0.4
83.01405	2.4
85.02944	5.9
87.00866	5.1
89.02447	22.2
95.01392	1.7
97.02957	3.3
99.00893	1.1
101.02448	18.8
101.03036	0.3
103.03979	0.6
109.02972	1.2
111.04529	1.2
113.02460	10.2
115.03998	0.5
119.03503	7.0
121.03023	0.9
123.00903	0.4
124.01704	0.6
124.47601	0.5
125.02444	8.1
131.03497	1.0
133.05136	1.0
139.04024	0.6
141.01955	0.6
143.03455	3.1
145.53728	0.6
161.04581	4.5
176.04814	0.6
179.05603	5.1
203.05579	0.7
217.07118	0.6
221.06633	1.6
235.08223	10.0
245.06622	0.6
253.09203	1.2
253.21722	72.9
254.22050	6.4
263.07584	0.9
277.21814	1.3
279.23282	0.9
287.07675	3.2
305.08752	3.8
318.97067	0.5
341.10016	0.7
397.13504	100.0
398.13831	8.6
415.14578	29.0
416.14932	2.8
651.35895	4.4
652.36682	0.9
655.28101	0.5
667.68695	0.5
674.15973	0.5
711.20868	1.7
711.34210	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28660	1.1
58.00598	2.1
59.01381	30.2
61.98825	8.4
69.03447	1.4
69.26058	9.4
71.01379	25.8
72.99311	1.7
73.02953	2.5
75.39027	1.1
83.01371	2.6
85.02943	4.4
87.00875	6.0
87.01324	1.0
89.02445	28.9
89.14996	1.0
90.05964	1.0
95.01357	1.6
97.02950	4.0
99.00847	1.2
101.01808	1.2
101.02440	21.7
108.70556	1.0
113.02448	7.8
116.92864	1.3
119.03487	7.1
125.02439	3.5
143.03474	2.9
154.96394	1.0
161.04541	4.0
179.05579	5.3
192.95956	1.1
209.11844	2.3
212.24091	1.2
221.06726	1.7
223.13315	3.3
235.08182	4.9
253.09294	1.8
253.21745	19.6
254.22237	1.2
271.90015	1.1
279.23291	2.1
287.07730	1.2
320.30917	1.1
397.08301	2.2
397.13495	41.2
398.13742	3.9
415.14545	100.0
416.14844	9.3
461.26300	1.1
557.20331	1.1
651.35480	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62016	0.9
57.03421	1.3
58.00584	1.4
59.01382	28.0
61.98818	3.0
62.07832	1.0
69.03444	2.0
69.23991	5.4
69.24413	3.0
70.24904	1.0
71.01389	22.0
72.99301	2.0
73.02943	3.4
78.85732	1.0
78.95917	1.1
81.03458	0.9
83.01398	2.4
85.02960	5.1
87.00869	3.9
89.01936	1.5
89.02451	21.6
95.01382	1.5
97.02950	3.2
99.00915	0.9
101.02432	15.6
113.02454	8.3
119.03524	5.1
125.02442	7.8
143.03488	2.9
152.04776	1.0
161.04541	5.1
179.05574	3.7
219.58095	0.8
220.38551	0.9
221.06549	1.7
235.08269	9.6
253.09152	1.7
253.21730	55.8
254.21953	4.5
263.07703	1.2
277.09308	1.1
277.21759	11.9
278.21967	1.5
287.07617	3.2
305.08798	3.0
323.09744	1.5
379.12576	1.2
397.13504	100.0
398.13849	10.4
415.14581	32.8
416.14969	2.1
467.77597	1.0
492.40524	0.9
517.20892	0.9
545.11597	0.9
629.93628	1.0
651.36115	4.7
652.35913	1.0
664.46216	1.1
675.35516	2.2
711.20703	3.1
711.33521	16.2
712.33997	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	711.308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88384	0.3
57.03447	8.3
59.01376	3.0
61.49083	0.3
66.19653	0.3
69.43119	0.3
71.01381	1.1
71.53614	0.3
73.02950	1.9
83.05022	4.7
85.02947	7.9
85.06586	1.7
89.02429	0.4
93.03452	1.4
95.05012	0.5
97.06617	0.5
98.03749	0.4
99.04506	0.9
99.08162	1.3
101.02410	0.5
107.05035	0.4
109.06609	0.8
111.04501	0.7
113.06130	0.4
117.03485	0.4
119.05026	19.8
120.05377	0.8
123.08158	1.8
123.91525	0.3
134.03740	5.8
135.04546	0.6
135.08162	0.6
137.02455	0.8
137.06084	9.1
137.09686	1.8
138.06390	0.4
139.07657	0.6
139.11302	1.6
143.03555	0.3
149.02483	0.4
149.06120	0.5
149.09665	2.0
151.11264	2.2
155.03427	0.4
155.10785	1.9
161.09737	0.6
163.04010	20.2
163.11299	3.3
164.04440	1.0
165.12880	1.6
167.14444	0.6
169.12352	7.6
173.04620	0.7
177.12845	1.7
179.10815	0.9
181.05074	1.3
181.12320	0.5
181.15863	0.3
191.05678	1.9
192.06026	0.3
193.05074	7.0
193.12259	0.4
194.05544	0.4
195.13904	100.0
196.14233	6.6
209.15411	0.8
213.15001	0.8
223.06061	0.6
237.15007	1.3
246.30840	0.3
255.16017	11.1
256.16412	0.8
257.13943	1.7
259.09082	0.4
299.14999	10.4
300.15247	0.6
307.14130	0.8
325.09213	2.2
341.12122	0.4
343.10242	0.6
367.10254	3.8
368.10541	0.4
453.98950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97857	0.4
57.03448	0.8
59.01377	14.4
67.01890	0.8
68.99815	0.6
69.03470	1.2
70.43933	0.4
71.01385	5.2
71.29214	0.7
72.56491	0.4
73.02946	1.2
78.35137	0.4
79.01864	0.5
81.03468	1.1
83.01388	0.8
85.02952	14.8
87.00877	1.9
93.03458	4.9
95.01384	8.1
99.00909	0.9
99.04519	0.5
101.02472	2.3
108.02175	33.1
109.02956	82.2
110.03301	2.6
111.04541	1.5
113.02462	1.4
123.00884	6.3
123.04523	0.8
127.04015	1.7
133.02933	0.8
134.03760	1.1
135.04532	10.6
136.04832	0.5
137.02469	0.9
139.04047	0.5
151.04002	3.8
155.03496	0.7
161.02451	1.9
161.04582	1.1
167.03516	0.5
173.04546	10.7
179.03499	9.4
191.05612	100.0
192.05952	4.4
193.05096	0.8
203.05591	5.5
221.10297	1.2
253.07149	2.6
259.93298	0.4
313.09277	16.6
314.09579	1.0
323.13428	0.5
329.08835	0.5
353.08771	25.8
353.14160	2.6
354.09094	1.9
367.90848	0.4
426.77127	0.4
512.86542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77360	0.2
53.51936	0.2
55.01873	0.2
57.03448	7.1
59.01379	1.3
61.80097	0.2
67.13077	0.2
69.03455	0.3
71.01382	0.6
73.02946	1.8
81.03432	0.3
83.01385	0.5
83.05029	3.8
85.02948	6.4
85.06570	1.8
87.04485	0.3
95.05038	0.7
96.96021	0.5
97.06582	0.7
98.03728	0.4
99.04510	0.8
99.08160	1.7
109.06601	0.4
111.00941	0.3
111.04514	0.4
111.08124	0.3
113.06042	0.3
119.05006	0.3
123.04546	0.3
123.08183	1.4
129.02003	0.3
134.03748	1.9
135.04488	0.5
135.08159	0.5
137.06087	0.8
137.09720	1.4
139.07664	0.7
139.11336	1.5
148.69559	0.2
149.02444	0.2
149.06042	0.4
149.09726	2.3
151.03989	0.3
151.11275	1.2
153.09190	0.4
155.10789	1.8
161.09744	0.4
163.04027	0.5
163.11320	2.5
165.12849	1.0
167.03447	0.3
167.14415	0.7
169.12341	6.5
173.04529	0.5
177.09238	0.2
177.12898	1.2
179.03496	0.4
179.10713	0.6
181.05048	1.0
190.02682	0.2
191.03508	0.7
191.05519	0.3
193.05019	2.1
193.12343	0.4
195.13896	100.0
196.14250	6.0
209.04494	0.3
209.15401	0.9
213.14960	0.7
233.04550	2.6
234.04805	0.3
237.15073	1.1
255.16011	9.7
256.16360	0.5
257.13965	1.5
257.41296	0.2
263.05481	0.4
299.14996	11.3
300.15283	1.1
317.06656	0.5
343.10233	0.9
353.08609	0.4
367.10178	1.1
383.07715	0.3
399.09399	0.3
410.19208	0.2
427.06512	1.2
457.07385	0.3
481.09781	0.8
541.66010	0.3
547.10974	0.8
591.10156	0.7
711.17511	0.5
712.16199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03453	0.7
58.00605	0.4
59.01379	100.0
60.01723	1.3
61.98831	0.3
71.01381	9.4
71.01782	0.5
71.54242	0.3
72.99334	0.3
73.02946	3.7
75.00872	0.7
81.03452	0.3
83.01383	1.4
85.02949	4.7
87.00886	0.5
89.02450	1.6
93.03475	0.3
95.01398	0.6
97.02982	0.4
99.00873	1.8
101.02439	7.7
101.29166	0.2
113.02448	3.6
116.92870	0.6
117.03506	0.4
117.12110	0.2
119.05019	2.8
122.37830	0.2
125.02454	1.3
129.01962	0.3
134.03738	2.7
135.03017	0.4
137.02432	0.3
143.03510	0.6
149.04562	3.5
149.05788	0.4
151.04086	0.3
159.03017	0.8
161.02498	0.4
161.04535	4.5
163.04013	5.7
179.30153	0.2
181.73985	0.2
191.05684	1.0
193.05032	3.4
269.10297	11.1
270.10791	0.8
295.08316	1.5
295.11615	0.3
300.02963	0.4
311.11374	6.5
311.14825	0.4
312.11792	0.7
325.09464	1.0
355.10138	0.3
461.58075	0.2
576.29016	0.3
693.27069	0.3
711.17029	1.1
712.19043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00919	0.5
57.03430	0.6
57.35931	0.5
58.28741	0.4
58.49719	0.5
58.84880	0.5
59.01369	1.8
61.98824	0.6
63.55022	0.5
65.86414	0.7
70.99957	1.3
71.01400	1.1
81.03460	0.9
83.01385	4.9
85.02950	1.6
85.76763	0.5
93.03472	1.3
95.01385	1.1
95.05016	1.5
97.02956	1.0
101.02443	0.9
109.02929	0.8
111.00895	0.8
121.02995	0.9
122.03722	0.6
123.00852	0.5
123.04545	2.6
125.02456	3.6
127.35808	0.6
131.07117	0.6
135.04527	0.8
137.02426	2.4
137.06067	1.5
139.04004	1.7
147.04507	1.8
149.02428	1.5
150.03168	1.9
151.03995	1.6
158.23370	0.6
161.02534	0.7
161.62447	0.5
164.04727	1.3
164.51503	0.6
165.01947	1.2
165.05556	1.8
167.03487	8.7
167.25920	0.5
171.04556	0.6
175.04018	0.8
176.20186	0.6
177.01863	0.7
179.02051	0.9
179.03493	6.5
180.04085	1.1
191.03499	2.8
191.05249	0.5
193.04990	1.3
197.04562	1.2
201.05525	0.6
203.03529	1.6
205.05089	0.8
207.02933	1.1
209.04581	5.3
210.04814	0.5
215.03470	1.0
217.01450	0.9
217.05037	1.8
217.42821	0.5
219.03030	2.6
221.04575	1.2
223.06107	1.6
229.05104	1.1
231.02898	1.5
231.06554	1.7
232.03680	0.9
233.04556	2.4
237.04086	0.8
239.05620	2.0
241.04897	1.2
243.02913	1.0
243.06563	0.9
245.04503	1.6
245.09274	0.7
247.06067	1.2
249.03722	0.7
255.02986	0.9
255.06909	0.6
257.04605	1.4
259.02512	0.6
259.06042	3.7
261.04010	6.5
263.05658	0.7
271.06302	1.2
271.09634	1.2
273.03983	1.5
275.05475	0.7
281.04349	0.6
283.06177	1.6
285.04120	2.8
285.07062	0.6
287.05545	1.3
289.07199	1.4
291.05045	3.2
295.06161	1.2
299.05588	0.8
301.07108	0.7
303.05005	0.8
313.07309	0.9
315.05115	1.4
321.07724	0.6
325.07214	1.9
327.04919	0.8
337.07047	1.0
341.06638	0.8
351.08334	0.6
353.06839	0.6
355.08231	1.1
357.05548	1.1
367.08157	1.2
369.09991	0.8
371.07529	0.6
381.08496	0.8
387.06744	1.2
395.07413	0.7
409.09091	0.6
411.07169	0.9
414.09546	0.9
429.08295	2.3
441.08234	1.8
442.08737	1.1
453.08261	1.9
454.08920	0.7
455.09555	0.7
459.09366	1.4
471.09363	12.6
472.09702	1.7
483.09116	1.3
501.10410	18.9
502.10522	3.2
513.10376	2.3
531.11511	8.1
532.11499	1.6
543.11365	2.3
549.16125	2.1
550.17554	0.8
573.12396	2.3
591.13635	13.1
592.13251	2.9
603.13953	0.8
621.14685	1.5
693.16803	1.7
711.17786	100.0
712.18042	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	711.178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87130	0.5
56.48256	0.6
59.01374	3.3
64.90865	0.6
68.82674	0.6
71.01366	1.4
73.02921	0.8
78.74291	0.5
79.62851	0.6
81.03464	1.2
83.01385	5.5
85.02943	1.9
93.03436	0.8
95.05003	1.3
101.02439	0.9
106.80918	0.5
111.00901	0.7
113.02451	0.8
123.04533	2.9
124.01646	1.1
125.02478	2.7
129.01909	0.5
135.04501	1.7
137.02437	2.0
137.06099	1.2
139.04012	5.4
140.04364	1.1
149.02353	0.8
149.04504	0.8
151.04015	1.4
163.04027	1.4
165.01900	1.9
167.03484	8.4
174.70268	0.6
175.03935	0.8
177.01904	1.0
179.03511	4.9
180.04234	1.8
181.05003	0.8
191.03479	2.2
191.05595	2.2
193.05013	1.4
195.02916	0.7
195.06680	0.9
197.04503	1.1
203.03503	0.7
205.05029	1.1
207.02971	1.7
209.04541	5.7
215.03514	1.2
217.05063	1.4
219.03070	2.8
221.04590	1.4
228.98524	0.6
229.05034	0.9
231.03000	1.1
231.06624	1.6
232.03624	0.9
233.04465	3.8
239.05571	1.8
241.05113	0.8
245.04564	1.3
247.06090	1.6
255.06555	0.8
256.03607	0.8
257.04562	1.3
259.06097	3.7
261.03992	6.0
262.04272	0.8
263.05515	0.8
271.02679	0.9
273.03989	1.5
275.05493	1.0
277.07205	0.9
279.05182	2.1
283.06198	1.0
285.04034	2.1
285.07535	0.8
286.04739	0.6
287.05630	0.9
289.07297	0.8
291.05179	1.6
295.06290	0.6
299.02008	1.0
303.05139	0.8
309.06369	0.6
315.05093	1.3
323.05392	0.9
325.07034	1.3
337.07068	0.9
339.05121	0.7
339.08646	1.5
341.06482	0.8
342.65466	0.6
345.06140	0.6
355.07742	0.8
357.05951	0.9
361.14935	0.7
367.08212	1.7
381.08490	1.9
381.17621	1.5
383.07501	1.2
385.09451	0.7
387.06955	1.0
391.02661	0.7
399.09213	1.0
405.86884	0.6
411.06866	0.8
429.08163	2.0
441.08105	1.4
442.09155	1.3
453.08087	1.4
459.09033	1.0
465.07956	0.7
471.09314	19.8
471.15991	1.0
472.09479	2.9
483.09378	1.5
501.10400	14.5
502.10992	1.4
513.10205	1.2
531.11292	2.8
532.12634	0.9
543.11511	1.3
573.12494	1.0
591.13470	11.7
592.14221	1.4
621.14685	1.8
667.14587	1.4
693.16113	1.1
694.15955	0.7
711.17767	100.0
712.18103	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	711.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24187	0.3
58.81024	0.3
59.01376	2.0
67.01891	0.9
69.03442	0.3
69.61410	1.2
69.61833	0.5
71.01382	1.4
73.02950	0.3
75.09039	0.2
81.03445	0.6
85.02949	7.3
87.00879	1.4
93.03456	4.7
94.43974	0.3
95.01386	0.5
108.02177	3.2
109.02950	7.6
110.03267	0.4
111.02594	0.3
111.04513	1.3
127.03984	1.5
133.02931	0.6
134.03738	1.1
135.04527	13.1
136.04860	0.7
137.02429	0.6
139.04004	0.3
155.03491	0.8
161.02408	1.9
171.02954	0.4
173.04543	12.6
174.04887	0.8
179.03497	12.5
179.04698	0.2
180.03830	0.7
191.05609	100.0
192.05963	4.3
195.13795	0.3
203.05611	0.5
221.23622	0.4
242.45464	0.3
313.09351	1.0
353.08774	30.3
354.09103	3.1
447.42944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.9
59.01382	12.2
60.99300	3.2
61.20773	1.4
61.98835	15.9
67.01884	4.5
71.01392	5.4
73.02930	1.9
77.03955	1.9
83.01390	1.9
85.02958	15.7
87.00882	5.1
87.32490	1.5
88.98827	2.6
89.03963	1.9
90.98463	1.5
92.66109	1.4
93.02531	1.5
93.03460	28.2
95.05029	4.8
96.96013	4.5
98.20648	3.6
101.02415	2.1
105.03469	16.7
107.05046	2.1
108.02174	2.8
109.02968	10.5
111.00928	2.7
111.04533	5.8
113.02474	1.8
117.03478	2.0
121.02936	3.6
123.04528	6.5
124.01616	3.8
125.02440	3.4
129.01935	2.7
133.02963	100.0
134.03825	9.0
135.04527	49.2
137.02457	11.1
139.04034	2.7
149.02451	3.1
150.03218	5.5
151.04015	7.1
153.01712	1.6
155.03523	3.7
157.41800	1.4
161.02443	3.8
162.50165	1.4
167.03484	3.1
173.04549	67.9
174.04904	2.9
177.01929	57.9
178.02644	9.8
179.03520	14.5
189.05460	1.5
191.01976	1.6
191.05615	45.7
192.05991	2.3
193.05000	2.2
195.02986	2.7
215.03537	1.5
215.05606	30.5
241.01474	1.8
257.00858	2.7
263.48569	1.5
271.02472	2.5
271.05530	1.3
284.03152	1.9
285.00446	13.0
286.00964	1.5
289.07199	3.0
299.02054	2.2
300.02771	16.4
301.03259	2.9
307.08112	6.9
308.08911	7.7
312.99716	2.1
315.05060	5.6
328.02362	6.9
329.03049	3.0
329.08920	1.7
343.04568	24.8
344.05179	5.2
351.07211	82.7
352.07687	10.7
353.08603	6.7
358.06952	25.5
359.07584	5.5
452.35669	1.4
507.33536	1.5
519.08826	1.6
582.06390	1.3
649.15363	2.1
651.40002	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	711.157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70461	1.0
57.03448	2.9
59.01384	11.8
60.99281	2.2
61.98839	11.0
63.94907	1.1
67.01891	6.7
69.03451	1.3
69.38798	4.0
69.39226	4.1
71.01383	8.0
72.99294	1.1
73.02961	2.7
77.03992	1.7
79.95751	1.3
83.01394	1.2
83.05014	2.0
85.02957	11.6
87.00912	6.9
88.98831	1.4
89.02483	1.4
91.05507	1.3
93.03463	46.5
94.03794	1.6
95.05020	3.4
96.96014	24.2
98.19926	1.6
101.02452	1.6
105.03453	10.6
107.05054	3.2
108.02177	3.1
109.02960	11.1
111.00877	1.8
111.04516	9.8
113.02406	2.3
117.03455	1.1
120.79817	1.0
121.02927	3.2
122.03619	1.2
123.04533	6.0
124.01738	2.6
125.02441	3.4
126.03291	1.2
127.03999	1.8
129.01938	3.6
132.02158	1.7
133.02962	67.6
134.03831	7.1
135.04532	72.0
136.04872	3.1
137.02431	8.5
137.10594	1.2
139.04030	1.8
149.02437	3.5
150.03235	7.7
150.06935	1.5
151.04012	9.3
155.03487	3.1
161.02504	6.2
161.04588	1.0
164.98303	1.9
167.03506	3.5
173.04556	100.0
174.04897	4.1
175.03996	1.0
177.01944	26.7
177.05547	1.4
178.02621	5.0
179.03487	17.6
180.04005	1.7
181.01793	1.0
191.05615	49.9
192.06049	1.8
195.02937	2.7
200.95998	1.0
215.05615	31.5
254.05751	1.3
258.02072	1.2
270.01672	1.3
286.01114	1.2
289.07104	2.0
307.08301	8.4
308.08994	9.4
313.03445	2.2
329.03195	2.2
344.05188	2.4
348.23288	1.0
351.07214	67.8
352.07794	15.0
353.08450	1.3
354.71344	1.2
357.57617	1.3
359.07932	1.6
475.10419	2.0
488.34756	5.2
519.08929	2.8
534.98718	1.1
614.26703	1.5
693.38513	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91437	0.7
59.01379	100.0
60.01724	1.7
61.98835	3.8
65.58066	0.7
67.66718	0.8
75.00871	2.0
78.95903	2.5
80.96516	5.5
94.98109	1.3
101.02436	0.8
104.56311	0.8
116.20327	0.8
118.05604	0.7
125.70271	0.8
130.93008	0.8
142.09081	0.8
152.99582	4.3
194.60345	0.9
211.13402	1.3
225.00708	1.6
225.11320	1.4
255.23238	5.2
277.21732	9.7
278.22101	1.2
279.23215	1.1
497.99673	0.8
518.23474	0.8
577.13434	0.9
615.69153	1.0
691.37561	2.2
709.38531	12.5
710.39294	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	710.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
60.01724	0.2
61.01818	0.2
61.98829	100.0
69.81563	0.1
70.59974	0.3
70.60312	0.2
77.02436	0.1
78.95921	0.6
79.73971	0.1
112.66446	0.1
148.31219	0.2
152.99615	0.7
162.24657	0.1
164.84671	0.2
201.11382	0.5
206.41711	0.2
209.11868	0.4
277.21683	0.7
278.22067	0.4
279.22815	0.3
354.49704	0.2
473.17740	0.2
473.58481	0.1
474.18228	0.3
524.21997	0.2
603.38068	0.2
710.39996	1.6
711.40662	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64692	0.9
59.01376	5.9
61.98829	25.2
65.13424	0.8
69.26717	7.4
71.01370	3.5
78.95904	14.2
80.96504	1.7
81.03487	1.0
82.64940	0.8
83.05013	1.7
84.55577	0.8
86.32161	0.8
87.32097	0.8
89.02429	1.9
95.05010	0.8
96.96931	1.1
97.06596	4.3
101.02438	2.6
109.18526	0.8
113.02444	1.6
117.41147	1.0
125.09689	1.6
127.11308	1.2
129.45744	1.0
145.05151	0.9
151.11273	10.4
152.99585	19.6
169.12337	31.5
170.12677	1.9
171.00647	2.3
171.10289	1.3
195.10277	2.4
201.11298	20.4
202.11900	1.0
209.11816	20.7
210.12212	1.7
213.11292	4.0
227.03275	1.7
227.12939	1.1
253.09204	2.0
253.21632	4.0
277.21701	40.0
278.22174	4.6
279.23318	5.0
280.23593	1.0
431.19272	1.8
449.20032	1.8
455.16736	3.8
473.17926	17.2
474.18250	1.8
581.46741	0.9
691.38184	2.2
709.40857	100.0
710.41235	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	709.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88943	0.2
57.82596	0.2
59.01380	100.0
60.01715	1.0
61.98830	9.2
70.55077	0.5
71.01393	0.7
73.02941	0.3
78.95906	1.7
83.05016	0.3
84.00114	0.2
85.02982	0.3
96.96976	0.3
101.02457	0.5
103.07250	0.2
125.09670	0.3
145.06212	0.5
146.85706	0.2
152.99570	2.1
171.00676	0.2
201.11340	2.3
209.11839	2.5
227.03226	0.2
227.12845	0.4
227.16400	0.2
253.21706	0.4
277.21710	27.1
278.22025	3.1
279.23227	0.6
381.13303	0.2
389.22043	1.0
455.16867	0.5
473.17862	2.0
474.18103	0.3
691.37659	0.3
709.39221	4.2
710.39490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19730	2.4
55.42168	2.4
61.98821	5.8
69.19505	11.2
69.19933	12.6
70.01071	2.7
71.01373	5.1
78.95918	12.6
78.98582	4.5
79.95744	10.0
80.96523	65.6
85.02972	3.8
86.09534	2.7
94.98112	14.9
101.02476	3.1
110.98535	7.4
148.99136	9.6
152.98587	5.4
164.98627	9.0
189.09630	2.7
225.00772	12.4
255.22894	2.5
277.21805	23.8
278.22021	5.9
279.23291	100.0
280.23596	11.8
281.24835	12.7
310.70218	3.1
350.47974	3.2
421.09351	2.7
437.51010	3.1
447.24960	4.0
633.30389	2.9
647.61414	3.1
695.88525	2.9
709.38104	79.4
709.48059	8.1
710.38525	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	709.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33933	0.9
57.03458	1.3
59.01379	10.9
61.48573	1.0
61.98829	17.2
69.03430	1.1
69.50668	2.5
69.51070	5.3
71.01385	4.3
78.95901	16.1
80.96523	2.0
83.05043	2.4
85.02972	1.3
89.02431	3.4
95.04999	1.4
97.06586	2.6
101.02431	2.2
113.02435	1.7
121.03010	1.2
129.48581	1.1
151.11275	9.7
152.99577	17.6
161.04582	1.1
169.12343	78.4
170.12700	3.9
171.00648	1.7
195.10306	1.5
201.11314	18.9
209.11824	20.4
210.12126	1.6
213.11327	8.3
227.12923	1.1
248.70683	1.1
253.09261	2.5
253.21748	3.0
277.21683	23.2
278.22067	3.5
279.23224	6.2
281.27695	1.0
428.16962	1.2
431.19232	1.9
449.20233	4.8
455.16843	3.9
473.17981	15.3
531.58264	1.1
691.38275	3.3
709.41113	100.0
710.41522	23.1
726.06293	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87645	0.5
55.01867	0.6
57.03442	0.8
58.00587	0.7
58.02978	3.8
59.01381	69.3
60.01727	0.9
70.72708	0.4
71.01383	10.3
72.99297	0.6
73.02950	1.6
83.01394	1.4
85.02961	4.0
87.00879	0.6
89.02450	9.9
93.03468	1.4
94.73740	0.4
95.01415	1.1
95.05011	0.5
99.00901	0.7
101.02451	9.1
108.02168	0.6
113.02465	5.9
119.03526	3.6
135.04546	0.4
137.06099	1.2
139.04041	1.2
153.10764	0.4
161.04535	1.7
163.11282	3.3
164.07149	2.3
165.07536	0.4
173.04588	0.6
181.05106	4.8
191.05571	3.9
193.04997	0.8
206.08226	7.4
207.08421	0.8
207.10236	7.8
208.10596	0.6
225.15073	0.9
235.11858	6.0
236.12366	0.5
268.67426	0.5
277.12891	3.5
367.10321	1.1
387.08746	2.8
387.16592	100.0
388.09616	0.5
388.16922	10.4
397.18497	0.6
673.67761	0.5
704.95697	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62545	1.4
59.01361	3.8
71.01376	2.0
71.55433	1.9
71.57652	1.7
74.97328	1.5
89.02434	3.1
93.26538	1.4
110.06084	2.6
111.00854	1.8
113.02391	1.6
122.06120	11.4
123.04615	1.5
124.07693	2.4
136.07689	1.7
150.05573	3.5
160.04024	2.0
168.06679	2.9
171.30197	1.9
191.05605	7.0
213.10387	4.1
214.11017	3.3
215.11787	5.7
225.10344	2.7
226.07419	2.5
227.08226	5.6
227.11867	7.8
239.08215	1.9
241.05849	1.8
241.09760	3.3
243.11354	2.3
253.09824	5.0
254.06851	2.6
255.07700	3.6
255.11404	5.2
256.08618	1.7
256.12042	1.8
257.09271	3.1
265.10059	2.1
267.08118	2.1
267.11356	6.2
268.08453	3.8
269.09235	4.7
270.09906	2.0
283.07123	2.2
283.10797	5.3
284.07767	2.8
285.03995	3.7
285.12329	3.2
293.09393	4.6
295.10638	1.8
296.07877	3.0
297.08807	3.0
298.09531	6.1
299.10101	3.0
311.10266	3.3
312.11038	1.9
313.08136	2.7
315.09882	2.1
322.15689	2.3
327.09769	5.8
328.10696	2.3
329.11295	2.1
334.11880	2.6
334.15570	1.9
336.13458	4.0
336.17059	2.9
338.18835	6.8
343.12598	2.4
348.13428	4.7
349.10669	2.4
350.14969	3.4
350.18759	2.6
352.12781	1.8
362.15027	5.7
366.14362	2.9
366.18344	3.9
367.15222	2.2
368.19806	4.5
378.14438	2.8
380.16135	3.3
386.11264	10.3
387.11868	3.9
388.12872	6.7
392.16168	4.5
394.17880	2.3
396.15280	2.4
404.11563	3.4
404.16156	5.5
406.18030	2.2
408.15707	1.9
410.17184	3.4
412.18655	8.4
413.19165	2.0
416.16016	2.9
422.12997	1.9
432.15927	1.8
434.16815	5.5
436.15082	2.3
438.16791	7.6
439.17081	2.2
440.14459	3.5
450.16931	4.8
452.17883	2.0
454.16196	4.2
455.16107	2.2
468.17487	3.6
478.16547	1.9
482.15488	5.5
494.15451	2.6
496.17111	9.1
502.56247	1.8
510.18616	3.8
512.16486	8.6
526.18500	4.5
527.19098	51.8
528.19714	23.1
559.18213	2.4
631.24341	2.0
649.25049	17.7
650.24933	3.9
659.23676	3.6
673.25458	4.4
677.24683	4.2
691.26160	100.0
692.26715	20.5
709.27301	88.6
710.27490	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	709.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03444	2.6
58.00585	1.0
59.01378	31.6
61.98835	4.3
67.01892	0.8
68.99817	1.5
69.03451	2.9
69.38505	3.9
71.01378	44.9
72.01712	0.7
72.99300	2.5
73.02946	7.5
81.03426	1.5
83.01389	7.3
84.02164	13.6
85.02948	24.5
86.37789	0.5
87.00884	6.3
89.02441	32.6
93.03479	2.7
95.01381	4.8
97.02953	5.4
99.00877	12.3
99.04524	0.8
101.02440	36.2
102.02813	0.6
103.05527	0.8
105.03477	0.5
107.05046	1.0
108.02173	20.6
109.02979	6.6
111.00877	2.9
113.02444	29.5
114.02802	1.1
115.03992	0.5
116.92866	0.5
119.03508	14.6
119.04958	2.7
120.03825	0.7
121.02956	18.0
121.06685	0.5
122.03706	1.6
123.00880	1.2
123.04511	1.4
125.02441	6.9
131.03494	4.3
131.05022	1.1
133.02966	1.1
133.06566	0.8
134.03700	0.9
135.00879	0.7
135.04471	2.2
136.00606	0.6
136.01659	12.9
137.02440	9.1
143.03502	14.0
144.03799	0.5
145.02943	1.4
145.04985	0.6
145.06592	0.7
146.03690	0.9
147.04520	4.8
147.08173	0.9
148.05257	1.0
149.02429	2.0
149.04538	2.1
149.06049	1.1
150.03195	3.2
151.03954	1.7
155.03470	1.0
158.03670	0.6
159.02968	2.6
159.04382	0.9
160.05180	0.7
161.02588	3.3
161.04565	35.1
161.06035	5.3
162.03220	3.4
162.04852	1.5
162.06873	3.9
163.04012	4.8
163.07632	4.1
165.01929	5.7
167.03474	0.7
173.04543	0.8
173.06058	1.5
175.03992	9.1
176.04774	2.9
177.01854	0.6
177.05534	1.8
177.09081	0.6
178.02678	0.9
179.05617	10.6
179.07030	0.9
182.02161	1.4
187.03976	1.8
189.05557	6.2
190.06355	10.1
191.03503	4.7
191.05319	1.0
191.07082	5.5
193.05038	1.3
193.08757	0.6
201.05577	0.9
202.06325	1.4
203.03629	0.6
203.05547	2.8
204.04285	4.9
205.03322	0.6
205.05038	1.3
205.08669	2.9
208.86346	0.5
216.04274	0.6
217.04927	0.6
217.08638	0.6
219.06598	7.5
220.07367	3.1
221.06638	16.0
222.07022	0.9
234.05330	0.7
235.09810	2.9
245.06624	11.8
263.07715	11.4
264.07791	0.7
284.10556	0.8
287.07770	0.9
297.07407	0.5
298.12149	0.8
299.12863	1.6
305.08667	1.6
309.07642	0.6
312.09872	0.7
323.09802	45.4
324.10172	4.3
327.12369	4.1
339.12454	0.6
355.11823	3.7
356.12619	7.8
357.13065	1.9
371.11246	0.6
385.12906	100.0
386.13239	12.1
428.42654	0.5
469.18634	2.0
547.39001	0.6
678.85107	0.6
709.24719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14423	0.4
56.50653	0.5
57.03443	0.6
59.01356	1.5
61.47829	0.4
63.44609	0.4
66.11933	0.4
66.21959	0.4
67.76001	0.4
68.86481	0.4
70.55169	1.2
71.01360	0.6
71.31559	0.4
73.02927	1.0
77.03944	0.5
79.01877	0.6
79.76718	0.4
83.01395	0.5
85.02942	0.9
95.01799	0.5
103.32392	0.4
109.02961	2.3
119.04984	1.4
121.02938	1.2
122.06100	0.5
125.02400	1.4
133.02946	11.1
135.04494	1.1
137.02466	0.5
147.04465	0.9
149.02400	1.1
149.04517	0.9
151.00352	0.7
161.02422	1.5
163.00345	1.4
163.03987	3.6
165.01926	2.2
173.02493	0.7
175.03978	2.8
177.01901	1.5
179.03535	0.8
191.03477	1.8
191.05605	3.9
193.01414	1.1
198.03206	0.5
199.03975	1.3
201.01897	1.5
203.03500	1.1
213.05516	0.8
225.05527	0.9
226.02779	0.5
240.04271	1.0
241.05017	0.9
245.09380	0.5
253.05101	0.8
255.03009	0.8
255.06804	0.6
257.04584	0.6
261.13397	2.5
265.75110	0.4
269.04544	0.9
281.04532	0.5
284.03226	8.1
285.04025	7.0
286.04364	0.7
297.04025	14.1
298.04739	9.2
299.05557	16.8
300.05878	1.1
309.03802	0.5
311.05560	2.5
325.03659	0.9
327.05072	95.0
328.05417	10.0
339.04938	3.4
357.06149	24.3
358.06427	2.6
369.06067	2.4
393.05984	1.0
447.09286	100.0
448.09634	12.5
659.23969	0.6
691.25659	1.2
709.26892	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	708.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36515	0.8
59.01371	1.3
60.04113	0.8
61.98827	3.7
63.02421	0.7
72.41563	0.6
78.88762	0.8
85.02932	0.9
96.95967	0.9
106.45986	0.7
107.01382	1.3
134.89514	2.3
151.00380	5.7
158.03650	0.8
159.04579	0.8
161.02426	1.4
171.04413	1.1
178.99803	1.1
183.04514	1.3
185.02443	1.5
186.03183	4.3
189.01910	1.3
198.03101	1.1
199.03993	4.7
203.03439	0.8
211.03973	1.0
214.02737	7.5
215.03323	1.0
216.00539	0.8
227.03539	3.4
241.01419	23.0
242.02170	11.2
243.02960	11.6
245.00908	15.9
246.01259	1.3
255.03056	5.3
255.83728	0.8
269.99353	0.5
270.01678	28.8
271.02460	44.1
272.02835	3.4
273.00504	0.9
277.21802	0.8
298.01157	14.2
299.01959	100.0
300.02457	10.4
301.03522	1.9
422.79385	0.8
445.07663	7.0
446.08646	2.1
521.96405	0.8
562.20795	86.3
563.21082	17.7
708.26550	19.2
709.27130	4.4
709.37885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01716	0.9
61.98819	1.1
71.01379	1.4
73.02962	0.3
76.82925	0.2
78.95904	0.7
85.02979	0.4
87.30095	0.2
89.02438	0.8
98.19781	0.4
100.99186	0.2
101.02460	0.7
108.22454	0.2
113.02448	0.4
119.03516	0.3
152.99591	0.9
161.04529	0.4
179.05597	0.3
210.11917	0.2
211.13416	0.2
225.11296	0.3
277.21710	31.0
278.22061	3.0
279.23193	0.3
291.23285	0.7
297.52063	0.2
310.00333	0.2
319.22751	0.4
387.20230	0.5
471.16397	0.6
642.40497	0.2
707.38287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39159	0.2
55.01883	0.7
57.03452	0.7
58.00610	0.3
58.02976	1.0
59.01382	100.0
60.01719	1.3
69.46978	0.6
69.47404	0.6
71.01386	10.3
72.99327	0.5
73.02948	3.8
75.00864	0.3
83.01395	2.1
85.02954	4.9
87.00886	0.7
89.02447	5.2
93.03474	0.3
95.01388	0.8
97.02955	0.2
98.20694	0.3
99.00900	1.4
99.11263	0.2
100.35038	0.1
101.02448	10.1
102.02776	0.2
109.02969	0.2
111.00932	0.2
113.02455	5.3
114.02768	0.2
119.03497	1.5
125.02515	0.2
129.01970	0.4
131.03482	0.3
135.04532	0.2
137.06131	0.2
138.01883	0.2
143.03432	0.8
147.04573	0.2
149.02480	0.5
149.04550	0.5
159.03046	0.8
161.04562	5.4
162.04947	0.3
164.04855	0.4
164.07143	0.7
167.03546	0.2
173.04556	0.4
179.05600	2.6
191.05621	1.8
191.07178	0.2
193.05099	0.3
203.03500	0.3
205.03677	0.2
206.08264	1.9
209.08255	0.3
223.06133	0.9
235.11880	19.7
236.12216	1.1
277.12924	14.0
278.13324	1.0
279.10867	0.2
281.04611	0.4
283.06265	0.2
313.10788	0.4
321.11935	0.7
339.08615	0.4
357.09888	0.4
373.09644	0.2
383.07837	0.8
471.13962	0.2
503.24350	0.2
515.12299	0.4
557.12903	0.3
707.15570	0.3
712.65375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03424	1.9
58.00581	1.4
59.01379	21.1
61.98829	2.3
69.03439	2.0
70.75615	1.3
71.01381	18.3
71.01779	0.7
72.99300	1.4
73.02935	3.4
75.00872	5.8
79.11414	0.5
80.02679	0.5
80.40539	0.4
81.03442	0.6
83.01392	2.2
83.05024	0.8
85.02946	3.9
86.03222	0.4
87.00882	2.7
88.98804	1.4
89.02444	16.2
90.37407	0.4
91.06056	0.4
93.03445	0.5
95.01369	0.9
96.96019	4.7
97.02952	2.8
97.06590	0.6
99.00877	1.4
101.02447	11.1
109.06579	1.2
111.08155	10.2
113.02449	6.1
116.92870	0.9
119.03493	4.7
123.00853	0.7
124.01646	0.5
125.02447	4.8
127.07644	0.8
131.03499	0.8
137.02486	1.0
137.09673	0.7
138.83795	0.5
143.03491	1.9
151.11237	1.1
153.12836	1.0
160.07718	0.5
161.04564	2.5
163.11267	0.8
167.03433	0.5
169.12318	4.4
171.10263	3.1
179.05626	4.8
180.05949	0.7
181.12331	1.2
183.13895	0.9
191.05644	1.5
193.12320	0.6
197.11829	44.2
198.12181	3.0
199.13387	2.6
201.11255	1.0
207.10291	1.2
209.11804	9.2
210.12210	4.0
211.13519	5.9
221.06598	0.5
225.11316	1.2
227.12929	3.2
228.13179	0.9
235.08258	3.8
253.09183	2.2
263.07629	0.9
263.20093	2.9
265.18088	0.9
273.18564	0.9
287.07581	0.9
291.19644	14.4
292.20029	1.1
305.08704	0.6
308.16290	0.5
309.20688	100.0
310.21051	11.5
323.09778	0.6
397.13495	19.3
398.13834	1.3
415.14551	35.1
416.14868	3.3
485.19586	1.3
663.33923	1.0
707.35431	2.2
708.35162	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36617	0.2
55.01875	0.6
57.03444	0.6
58.00599	0.3
58.02969	0.4
59.01377	100.0
60.01721	1.3
61.08498	0.2
61.98828	0.3
70.09573	0.4
70.09985	0.7
71.01379	9.0
72.99311	0.7
73.02944	3.2
81.50806	0.2
83.01398	2.1
85.02947	4.7
87.00882	0.8
89.02442	5.6
93.03500	0.7
95.01427	0.7
95.91216	0.2
96.96030	1.0
98.19984	0.3
99.00884	1.2
101.02443	10.2
102.02798	0.3
113.02441	5.0
119.03503	1.8
125.02460	0.3
131.03580	0.4
134.03714	0.3
136.01686	0.6
143.03523	1.0
149.04597	0.3
150.03262	0.3
151.04074	0.7
159.03015	0.7
161.02480	0.3
161.04547	4.0
163.03970	0.2
164.07152	0.4
165.05560	0.6
172.74765	0.2
173.04587	0.5
179.03473	0.3
179.04013	0.3
179.05608	2.7
191.05598	2.1
192.05832	0.3
195.06659	0.4
206.08194	1.1
235.11836	17.7
236.12172	1.1
277.12903	11.7
278.13321	0.7
285.07657	0.2
321.12119	0.6
322.99554	0.2
323.77884	0.2
353.08743	0.2
367.10779	0.2
401.42581	0.3
533.69312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.9
61.98829	68.3
62.98552	0.7
63.02391	1.7
63.99250	3.1
65.00311	1.6
70.38933	0.4
70.39276	0.7
83.01411	1.1
89.52901	0.3
91.62336	0.4
96.96043	0.3
107.01377	3.2
109.02957	0.7
121.02953	0.9
132.02173	0.4
133.02948	5.3
134.03780	1.5
148.01649	0.5
149.02435	1.5
149.99602	0.5
151.00354	5.2
169.01295	0.3
169.06627	0.3
171.04597	0.5
174.84744	0.3
175.03972	2.4
177.01952	0.5
183.04510	0.6
185.06015	0.6
187.04039	0.6
188.04985	0.3
191.05608	0.7
195.04395	0.4
199.04025	2.7
200.04665	0.5
201.01878	0.8
211.03972	1.5
212.04770	0.6
215.03532	0.5
217.05046	1.1
223.04114	0.4
227.03493	2.7
228.04262	0.6
229.05096	0.3
239.03586	0.6
241.05035	1.0
243.03069	0.7
255.02971	2.4
256.03775	4.5
257.04529	0.5
267.03006	0.4
277.21768	0.6
283.02484	0.7
284.03247	55.7
285.04016	100.0
286.04361	7.4
295.82339	0.3
297.04007	0.6
327.05084	0.6
444.03497	0.3
539.63354	0.3
551.77747	0.3
579.64874	0.4
651.38837	0.3
707.30750	78.0
708.31012	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	705.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30574	0.7
59.01368	1.4
59.37391	0.7
61.98827	3.4
63.36914	1.1
73.55186	0.9
73.98034	0.8
78.95909	8.0
91.32745	0.9
110.98558	6.7
112.24742	1.0
167.01125	2.6
173.87361	0.9
209.21545	0.9
277.21710	100.0
278.22070	9.2
445.23422	4.7
705.45166	8.4
706.45062	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	707.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63976	0.3
57.92662	0.4
59.01373	1.3
66.63004	0.4
68.80965	0.4
69.21177	0.9
69.21590	2.8
71.01384	1.1
78.49426	0.4
81.61628	0.5
83.01395	0.5
85.02948	6.4
87.00890	1.2
91.05541	0.5
93.03458	4.3
96.95984	0.4
98.19953	1.0
107.05035	1.1
109.02930	0.9
111.04512	1.5
119.04973	0.5
127.04002	1.4
129.01962	0.5
133.02943	1.4
134.03763	3.6
135.04521	52.3
136.04861	2.3
139.04025	0.7
155.03490	1.3
161.02417	4.1
163.03976	0.5
171.03004	0.6
173.04512	3.5
175.65776	0.5
179.03485	46.3
180.03847	2.7
191.05602	100.0
192.05960	3.7
268.72580	0.4
353.08743	72.4
354.09088	7.0
706.46967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65937	0.3
56.64754	0.3
57.03435	1.6
59.01377	7.0
61.98833	1.8
69.29946	2.6
71.01382	3.2
72.99314	0.4
73.02943	1.7
83.01396	0.9
83.05032	0.7
85.02958	1.2
87.00877	0.8
89.02446	3.3
93.03447	1.1
95.05038	0.3
96.95986	2.1
97.02940	0.6
99.00867	1.4
99.04527	0.4
101.02431	1.8
107.05010	0.3
108.02203	0.4
109.02912	0.5
113.02435	0.8
116.92850	0.7
117.03462	0.3
119.05023	100.0
119.44350	0.3
120.05338	3.8
123.04500	0.5
125.02444	0.9
125.09708	0.8
131.03470	0.7
134.03691	0.4
137.02419	0.4
149.04556	7.5
150.06822	0.4
152.17889	0.3
161.04613	0.4
163.04004	72.3
163.11261	1.8
164.04333	3.4
165.05582	0.4
171.10295	1.5
179.05734	0.5
179.10735	0.4
181.12379	2.0
182.12621	0.4
187.11191	0.5
189.08995	0.3
191.05615	1.2
199.13387	1.5
201.11302	3.6
202.06378	0.4
205.12408	0.5
207.10274	4.2
209.11813	4.4
210.12152	0.4
223.13438	1.6
225.11292	4.9
227.12825	0.8
235.08153	0.4
243.12283	2.2
249.11177	0.4
251.16493	0.5
253.09343	0.6
257.04437	0.3
267.12372	1.8
291.19687	0.6
307.08231	1.3
309.20587	1.7
325.09204	0.9
367.10294	1.9
385.12781	0.7
397.13293	0.6
401.12173	0.7
411.16547	0.9
415.14508	0.6
453.80106	0.3
461.20450	0.7
479.20728	0.3
485.18350	0.6
509.34680	1.3
513.21387	1.4
531.22314	2.4
532.22833	0.7
543.20654	1.0
544.21576	0.4
575.21350	4.7
576.21747	0.8
603.25806	0.4
610.14844	0.6
613.69098	0.3
663.32813	2.3
664.32843	0.3
671.40802	0.5
689.22241	0.4
689.33917	6.2
690.34076	1.0
707.25378	17.5
707.35730	4.4
708.25726	3.5
708.36066	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
57.03432	1.9
58.00563	0.9
59.01380	11.7
60.83519	0.7
61.98815	2.2
69.03442	1.7
70.74663	0.7
70.96725	0.9
70.97054	1.1
71.01382	7.1
71.05010	3.5
73.02946	1.4
77.84809	0.9
81.03437	0.9
83.05022	2.0
85.02956	2.5
87.00871	3.6
88.58994	0.7
89.02439	4.3
95.05045	1.1
96.96014	1.3
97.02952	3.5
97.06590	2.2
99.00882	18.9
101.02422	4.8
109.06585	1.5
112.51459	0.8
113.02442	1.8
119.03561	1.2
121.06556	1.0
122.06155	0.8
123.08179	1.4
125.02417	1.4
125.09729	6.2
129.77672	0.7
135.08163	1.0
136.01657	1.2
142.02686	1.9
151.03975	2.1
153.12871	1.5
157.08707	1.3
163.11272	8.3
171.10240	3.0
173.04424	0.8
179.10748	2.0
181.12329	15.3
191.05592	2.9
197.11824	12.0
199.13406	11.0
200.13895	1.1
201.11310	5.9
207.10248	28.2
207.12215	1.5
208.10568	1.9
209.11803	9.0
215.38370	0.7
225.11301	42.8
226.11667	2.7
227.12743	1.1
243.12349	26.3
244.12595	2.1
253.09305	2.0
299.02066	2.0
357.13361	2.0
436.16074	0.8
479.21323	6.8
480.21649	1.0
543.27448	1.0
661.30829	1.8
687.32379	10.4
688.32782	1.8
705.33356	100.0
706.33667	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	705.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53157	0.2
55.01888	0.2
57.03460	0.3
58.00586	0.2
59.01384	3.3
61.44742	0.2
61.98835	1.6
62.21981	0.2
69.03465	0.3
69.16636	1.0
69.17062	1.3
71.01376	3.6
71.05018	0.3
72.99311	0.5
73.02955	0.6
80.02667	0.9
81.03460	1.0
83.01377	0.5
83.05029	4.3
84.02158	0.9
85.02943	0.9
87.00877	1.3
88.98786	0.5
89.02443	1.9
93.03437	0.5
95.01352	0.3
95.05024	0.6
99.00863	0.3
101.02459	2.1
109.02952	0.3
109.06606	0.6
111.04531	0.3
113.02444	1.1
116.31407	0.2
119.03477	0.4
121.70500	0.2
125.02450	0.5
125.06065	0.3
125.09721	0.4
135.04507	0.3
135.08168	0.6
136.16528	0.3
137.02386	0.4
143.03465	0.4
147.11829	0.3
150.03291	0.3
151.00435	0.3
151.03935	0.2
160.59288	0.2
161.04529	0.9
163.11281	3.6
165.12863	2.4
169.12332	1.0
171.10268	2.3
173.04538	0.4
179.05589	0.3
181.12325	0.6
191.05644	1.3
191.10751	0.9
197.11812	0.6
199.13374	0.4
201.11295	0.3
207.10208	1.0
209.11815	100.0
210.12144	7.3
223.09709	0.3
225.11259	1.2
227.12877	14.6
228.13216	1.0
235.08240	2.1
247.13335	0.5
253.09258	6.3
254.09605	0.2
259.15463	1.4
267.85892	0.2
295.05618	0.2
319.92911	0.2
382.17667	0.2
401.23282	0.3
419.24454	0.3
445.20660	2.0
446.21057	0.3
461.19937	0.2
462.04776	0.3
463.21606	0.3
484.19681	0.3
577.45380	0.2
637.32513	0.7
655.33368	0.6
673.31726	0.3
687.32837	0.7
705.33441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.4
60.93184	0.3
61.98831	100.0
69.21222	2.5
82.71446	0.2
86.32867	0.3
98.19929	0.5
142.49200	0.2
277.21844	0.3
483.15161	0.3
484.15616	0.4
557.18964	0.5
558.19556	1.0
593.17102	0.3
644.23505	0.8
704.24084	3.1
705.23444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27583	0.1
55.16661	0.1
59.01377	1.8
61.98830	100.0
64.05098	0.1
70.60300	0.4
111.54884	0.1
116.63287	0.1
152.99567	0.1
167.80580	0.1
182.16634	0.1
200.11497	0.1
201.92514	0.1
209.11868	0.3
212.54141	0.1
214.16336	0.1
275.16040	0.1
277.21915	0.4
288.55829	0.1
483.15494	0.2
484.15369	0.6
488.84094	0.1
498.17200	0.2
543.17151	0.2
556.18402	0.2
557.19165	0.5
558.19220	1.2
575.15698	0.3
644.22552	0.8
704.23492	2.7
705.22540	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02713	0.6
58.02978	7.4
59.01379	4.0
69.56522	1.7
70.02978	5.4
71.01363	1.1
72.00915	2.4
72.04543	0.9
73.02956	0.6
73.44370	0.3
74.02470	37.3
78.70246	0.3
83.01423	0.4
85.02937	0.6
87.49054	0.4
93.03452	1.3
98.02471	8.2
101.02419	0.4
113.02396	0.5
116.03551	10.8
116.05060	13.6
125.02489	0.6
130.06621	1.3
142.06625	3.4
159.09258	2.7
161.02431	1.5
169.08716	0.5
173.04568	0.8
183.09221	0.9
186.05566	1.1
191.05638	3.3
201.10342	3.8
203.08253	35.4
204.08598	2.4
245.09291	100.0
246.09615	6.9
289.08231	0.8
339.04935	1.2
513.10345	2.9
705.17035	0.4
706.19958	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	25.1
61.98824	100.0
64.59187	8.9
65.49122	6.9
66.01163	6.7
78.95912	9.6
93.96966	7.6
100.34431	6.6
101.84106	7.8
103.50359	6.4
108.45037	7.1
117.27916	7.2
121.05511	7.4
130.57417	6.9
171.10220	15.7
198.30978	7.1
245.04535	8.7
255.23158	10.8
265.43628	7.4
277.21652	9.6
703.39319	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	703.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	45.2
69.37492	100.0
78.95876	13.2
83.21436	16.8
143.36501	13.6
171.10197	22.5
234.98155	14.1
235.38409	14.6
255.23207	13.0
277.21591	20.7
329.27347	13.1
437.48114	11.8
703.39380	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	703.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03455	0.6
59.01381	100.0
60.01705	1.3
61.11304	0.3
63.12205	0.2
69.89869	1.3
71.01389	4.9
71.74304	0.2
73.02959	2.3
83.01384	1.4
85.02943	3.6
87.00855	0.3
89.02464	0.9
89.30586	0.2
95.01442	0.3
97.32126	0.2
99.00899	0.9
101.02441	6.4
113.02457	2.4
119.13734	0.3
121.39854	0.3
123.04514	0.4
125.02473	0.4
129.01984	0.4
134.03772	0.5
143.03563	0.3
159.03096	0.7
161.04556	3.0
178.02792	0.3
191.05635	1.2
193.05086	1.0
193.12465	0.3
235.11877	12.9
236.12253	0.7
277.12933	9.1
278.13345	0.7
337.03772	0.6
337.09125	0.4
355.10510	0.3
356.71973	0.3
371.92953	0.2
381.17560	3.7
447.85831	0.3
469.62494	0.3
525.61774	0.3
589.63873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
61.50970	0.2
64.12634	0.2
65.03962	0.3
68.65192	0.2
70.96287	0.2
71.01380	1.5
73.02937	0.7
76.89678	0.2
83.01387	0.4
85.02958	0.9
89.02428	0.2
93.03455	47.4
94.03800	1.3
99.00901	0.2
101.02460	0.8
113.02450	0.7
119.05040	0.3
137.02441	100.0
138.01764	0.3
138.02777	3.9
161.04512	0.5
161.33945	0.2
163.04001	0.3
164.91794	0.2
167.03453	0.2
182.23610	0.2
191.05586	0.4
195.13887	0.7
299.07706	19.8
300.08051	1.1
312.19373	0.2
553.25720	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80704	0.3
57.97309	0.3
59.01380	9.7
61.98831	4.6
71.01390	1.8
73.02936	0.7
83.01363	0.6
83.27750	0.3
83.81408	0.4
85.02934	2.4
88.98820	0.5
89.02457	0.6
93.03471	0.7
96.96004	1.1
98.19876	0.8
101.02433	0.7
111.00826	0.6
114.85184	0.4
119.05011	0.3
121.02953	4.8
123.04478	0.4
125.02437	0.4
129.01941	0.4
137.02425	2.3
138.02975	0.3
150.61629	0.4
151.02750	15.6
152.03088	0.7
159.04471	0.4
167.03537	0.8
179.03484	0.5
183.00208	0.6
183.01735	10.4
184.02110	0.7
190.05055	1.4
191.05850	1.8
204.06729	0.5
274.14368	1.1
292.15533	11.8
293.15802	0.9
329.10257	1.1
334.16577	1.8
436.19696	6.8
437.19949	1.2
454.20810	41.0
455.21143	5.4
496.21866	100.0
497.22232	15.1
497.28864	0.4
719.46320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.03445	1.3
59.01379	100.0
60.01702	1.1
61.98833	0.6
69.03484	0.4
69.41455	0.2
69.57818	1.6
71.01382	9.1
73.02943	3.0
75.00893	0.3
81.03467	0.4
83.01389	1.9
85.02950	6.4
87.00887	0.4
89.02459	1.0
95.01392	0.7
97.02973	0.2
99.00884	1.1
101.02438	7.7
109.02989	0.3
111.00923	0.5
113.02448	3.8
123.04534	0.3
125.02479	0.6
127.10520	0.3
128.56154	0.2
129.01971	1.0
131.35547	0.3
134.03824	0.3
134.06187	0.2
135.04543	0.6
139.11258	0.2
143.03491	0.6
145.03052	0.3
149.02480	0.5
149.04735	0.2
149.06169	0.3
149.28531	0.2
151.04051	0.6
153.52895	0.2
159.02998	1.1
160.68657	0.4
161.04550	4.3
161.05890	0.3
162.04828	0.3
167.03499	0.2
173.00984	0.2
179.03497	0.4
183.10272	3.4
191.05611	0.5
192.80121	0.2
205.03564	0.7
209.04561	0.4
221.40918	0.3
269.10300	11.4
270.10785	0.6
283.15829	0.3
311.11340	7.6
312.11847	0.8
335.01907	0.3
405.31027	0.3
433.64297	0.2
476.13062	0.3
519.20441	0.4
564.73444	0.3
694.99683	0.3
701.24579	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98819	2.8
71.38479	1.6
77.05511	0.7
78.58457	0.8
108.86684	0.9
186.56798	0.9
198.16527	1.0
204.43565	0.8
437.12735	1.1
438.13281	3.1
452.15030	1.8
481.15189	34.5
482.15384	8.8
495.16809	11.6
496.17117	2.8
497.18420	6.9
498.18536	1.5
514.14832	3.2
539.15674	2.6
540.16278	8.2
554.18433	2.0
555.18866	52.1
556.19043	12.3
572.15485	16.6
573.16028	4.6
586.17157	7.3
609.20129	1.6
638.96417	0.9
641.22650	25.9
642.22681	7.6
701.24652	73.0
702.24811	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	701.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55246	0.6
59.01379	100.0
61.98827	2.3
68.90656	0.7
69.57950	2.7
69.58361	1.4
72.18301	0.6
72.46339	0.7
76.39811	0.6
77.28140	0.6
98.20623	1.4
125.02447	0.8
236.17229	0.8
423.11111	0.9
437.12604	1.4
438.13312	4.2
439.13516	0.8
451.14056	1.3
452.14670	1.2
453.15350	0.8
467.13791	1.4
470.12360	1.1
480.14099	1.2
481.15173	43.5
482.15536	11.4
495.16776	10.6
496.16986	2.7
497.18408	5.3
514.14972	3.0
525.13904	1.9
526.14453	0.8
539.15747	4.2
540.16510	10.4
541.17126	2.3
553.17297	1.8
554.18146	1.6
555.18878	74.7
556.19073	18.1
567.18738	3.3
568.19513	1.0
569.20386	2.2
572.15466	22.2
573.15735	6.0
586.17188	5.3
587.17102	1.2
599.21106	1.6
600.18884	0.8
609.19995	1.1
626.20752	0.9
627.21259	2.1
641.22540	39.1
642.22614	11.8
658.19257	1.8
701.24658	88.9
702.24915	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.9
61.98833	3.0
65.03951	1.1
67.01898	1.2
69.03440	0.6
71.54399	0.7
71.54833	0.8
83.01390	0.7
86.35262	0.6
93.03476	0.8
95.01370	1.8
95.37595	0.6
107.05037	0.6
108.02176	1.3
109.02950	15.7
110.03323	0.7
113.92947	0.5
119.05042	0.9
121.02980	2.9
123.00900	2.3
123.04525	1.7
124.01669	1.5
125.02436	7.5
131.05023	1.3
133.02992	0.7
135.04510	1.6
136.01648	7.7
137.02438	100.0
138.02744	3.4
143.04990	1.0
145.02934	1.1
146.03738	1.0
147.04558	1.7
149.02464	1.6
151.04030	2.0
158.03683	1.0
159.04503	7.4
160.04854	0.6
161.02406	1.9
161.06090	3.0
163.03966	1.5
171.04510	0.6
173.02406	1.1
174.03168	1.4
175.03931	3.5
176.04800	1.4
177.01917	2.3
177.05553	1.8
186.03212	0.9
187.03996	16.6
188.04500	0.6
189.05542	4.0
190.06287	0.9
192.04280	0.8
197.11870	1.2
197.95729	0.6
203.03532	2.4
205.05016	2.6
218.05862	3.7
220.03778	0.8
231.02798	0.7
233.08200	3.5
267.06631	0.7
268.07318	1.0
295.06305	0.8
325.10675	0.7
327.08841	0.8
327.12308	1.0
329.10272	25.8
330.10651	2.4
341.10324	1.5
343.11954	3.1
353.10318	1.3
355.08154	0.9
356.08853	0.8
357.09647	0.9
366.71490	0.5
371.11328	77.1
372.11630	6.2
373.12885	2.8
511.62738	0.7
517.14972	1.4
538.28046	0.6
683.20831	3.1
701.22205	20.2
702.22461	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	701.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00612	1.3
59.01378	42.1
60.70188	1.4
69.03428	1.4
70.06557	3.0
70.06959	4.2
71.01383	35.1
72.99306	1.7
73.02943	4.7
83.01399	2.6
85.02941	7.9
87.00880	12.4
89.02441	56.9
95.91720	1.3
97.02943	2.3
101.02436	37.2
103.56438	1.5
108.90199	19.2
110.89907	16.7
112.89624	4.4
113.02450	20.4
119.03505	12.2
125.02444	5.8
128.89191	4.8
129.22623	1.5
130.88890	9.5
131.03488	2.3
132.88643	4.2
134.88353	2.1
135.30133	1.3
143.03456	9.5
144.86969	7.8
146.86642	5.7
148.86343	3.0
149.04578	7.9
158.92952	1.4
161.04555	9.5
161.98152	2.1
179.05606	28.6
179.79074	1.3
180.05927	1.8
191.05603	7.4
203.05608	3.6
208.93518	1.5
210.72301	1.4
221.06633	12.8
235.08020	1.3
249.00156	2.0
256.76764	1.6
258.76309	2.1
260.76102	4.9
282.86401	1.8
323.09482	1.4
341.10861	20.3
358.17001	1.6
383.11929	54.8
384.12256	4.8
425.12189	1.4
443.13977	12.8
485.14896	10.2
503.16272	5.5
539.13544	6.7
665.21448	100.0
666.21838	12.4
701.19012	53.0
702.19208	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	699.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65396	3.2
58.12446	3.3
59.01383	27.9
61.98826	48.9
70.58492	8.0
70.58868	7.7
71.01380	19.5
73.02926	7.6
83.05013	10.3
85.02950	8.2
87.00890	10.4
89.02454	9.9
96.95991	3.5
101.02454	12.4
111.08125	4.7
112.74548	3.8
113.02442	10.4
114.05643	4.4
125.09698	7.4
137.02458	3.9
141.94003	3.7
145.05180	3.3
151.03992	6.0
161.04509	4.2
171.10263	74.4
191.05609	10.8
205.16054	5.4
209.11778	11.0
211.13361	13.4
215.14537	4.6
221.15453	4.1
231.13806	8.9
233.15480	26.4
235.08156	9.4
239.16722	4.2
249.14961	29.5
250.15137	6.9
253.09172	5.7
348.91925	3.8
359.25974	4.9
374.70590	4.0
385.23856	18.6
403.24930	42.9
404.25287	6.9
411.48068	3.8
421.25620	8.3
521.25745	6.1
621.32678	84.8
622.32410	19.5
636.41736	4.1
639.33820	100.0
640.34052	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81190	0.4
53.99885	0.4
57.03449	0.6
59.01111	0.7
59.01384	10.3
60.46584	0.4
61.98838	4.3
67.12851	0.4
71.01385	3.4
71.55037	0.5
73.02967	3.0
75.00853	0.5
82.21858	0.4
83.01375	0.8
85.02947	4.8
87.00879	0.9
89.02435	1.6
93.03471	1.0
95.01403	0.5
96.96019	1.3
101.02444	2.7
109.02941	0.7
111.00895	1.0
113.02464	1.5
121.02965	3.0
123.00938	0.5
123.04510	0.7
125.02464	0.9
129.01944	1.8
134.03757	1.9
137.02487	1.0
145.48759	0.5
147.02983	0.6
149.02429	0.5
149.06001	0.6
150.06917	0.6
150.57036	0.4
151.02753	10.8
151.03897	0.9
152.01141	0.6
152.02972	0.6
159.04677	0.5
160.01534	0.5
165.05519	0.5
167.03479	2.5
173.04526	0.7
175.03870	0.6
178.88800	0.5
179.03384	0.5
183.01723	5.9
188.07248	0.4
190.05058	2.3
191.05730	2.3
193.05063	2.0
204.06697	1.2
205.07434	2.4
235.06004	0.6
272.12875	5.0
274.14484	18.7
275.14801	1.7
290.14047	2.6
373.13278	0.5
434.18250	4.0
452.19302	19.7
453.19394	2.2
494.20316	100.0
495.13428	0.7
495.20682	14.2
495.36636	0.5
597.68567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61306	0.3
57.03431	0.3
59.01113	0.5
59.01382	6.6
61.26107	0.3
61.53886	0.3
65.99310	0.3
69.77925	1.5
71.01386	4.7
73.02951	3.4
74.44548	0.3
80.48286	0.3
84.68181	0.3
85.02960	1.3
87.00879	2.2
89.02447	24.2
101.02441	1.4
102.98590	1.6
103.04026	1.7
107.05015	0.8
111.00862	0.4
113.02466	0.7
118.15884	0.4
119.03518	0.5
123.04537	0.6
131.03511	5.6
132.03859	0.4
133.02959	1.2
134.03751	2.1
135.04535	26.6
136.03828	0.3
136.04872	1.0
149.04564	100.0
150.04909	2.7
161.02437	3.5
163.04004	0.4
163.11296	3.8
174.70384	0.4
179.03505	18.9
180.03836	0.9
191.05623	0.9
239.65781	0.3
268.00113	0.3
271.02499	0.8
289.07230	0.3
299.01801	1.9
300.02716	1.1
311.07727	30.5
312.08008	3.2
314.04373	1.1
315.05194	1.7
387.16617	17.2
388.16895	1.6
410.08316	0.3
477.10419	4.9
478.10754	0.8
505.89105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.7
58.00592	4.3
59.01379	100.0
61.98832	12.2
62.09963	1.4
67.01886	1.5
71.01383	65.3
72.99305	4.9
73.02949	18.3
75.98184	1.2
82.15231	1.2
83.01393	7.5
85.02950	18.9
87.00886	3.8
88.98801	1.3
89.02445	57.5
90.02807	1.7
93.03453	4.9
95.01395	6.1
96.95995	2.1
97.02956	1.4
101.02446	42.6
109.02945	1.7
111.91058	1.3
113.02446	38.3
119.03520	24.7
119.05014	22.4
120.05375	2.1
121.02898	1.2
123.00900	1.3
123.04528	2.0
125.02460	4.7
125.55363	1.3
131.03529	4.5
136.01648	3.5
136.05302	3.4
137.02451	3.3
137.06081	2.5
143.03493	5.8
149.04555	7.7
151.00435	1.8
151.04016	4.0
161.04533	15.5
165.09158	2.5
173.04593	1.6
175.04012	2.1
179.03470	2.5
179.05602	15.4
191.05600	6.8
195.06557	2.3
281.10294	18.1
299.11386	20.5
334.92377	1.8
341.12393	3.7
357.13663	1.9
471.02838	1.4
494.32391	2.4
495.33136	4.0
505.18320	1.5
506.18835	2.7
507.19254	4.5
517.18372	2.2
518.18781	3.7
519.19379	9.0
537.20892	2.8
595.27625	11.8
596.28723	1.5
613.28638	16.9
614.29016	4.3
651.17725	1.7
655.29425	3.8
656.30389	1.8
699.22284	2.1
700.24402	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	699.199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
58.00618	0.4
59.01380	22.5
60.01710	0.4
62.78769	0.4
63.10450	0.4
67.43861	0.4
68.99809	1.0
69.03452	1.2
70.35040	0.5
70.35360	1.0
71.01385	9.3
73.02948	0.5
79.01883	0.5
81.03421	0.9
83.01390	1.0
85.02956	10.0
86.36953	0.4
89.02439	6.8
93.03474	0.6
93.39716	0.4
95.01395	8.5
98.20058	0.6
99.00878	0.9
101.02463	4.3
107.04993	0.4
108.02179	40.0
109.02958	100.0
110.03260	2.9
113.02455	3.8
119.03521	1.7
119.35863	0.4
121.02916	0.4
123.00888	7.4
123.04458	0.7
125.02435	0.9
135.04497	2.4
148.47711	0.5
151.04028	4.3
161.04591	1.8
179.03455	0.9
179.05611	3.3
191.01962	0.5
191.05591	0.9
193.05070	1.0
203.05617	7.7
253.07162	4.7
275.63174	0.4
313.09302	21.7
314.09808	1.3
337.73752	0.5
341.10916	16.6
342.11514	0.9
353.08899	0.7
401.13330	0.4
413.67935	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73972	0.5
55.01840	0.6
59.01384	3.4
61.98814	1.9
65.00314	1.2
67.01890	0.7
68.99804	0.7
69.48470	3.0
71.01387	5.1
72.99314	0.8
73.02937	1.2
75.34592	0.5
81.03452	1.9
83.01369	2.0
85.02945	1.9
89.02461	0.9
93.03454	5.7
95.01379	3.4
96.99316	0.6
97.02937	1.1
99.00883	0.6
101.02435	2.2
107.01343	1.4
108.02145	1.4
109.02963	3.1
110.00087	0.6
111.00858	2.0
112.98831	1.0
113.02429	1.5
121.02162	0.9
121.02962	9.6
122.00072	1.3
123.00900	10.5
123.04505	1.1
124.01602	0.8
125.02416	1.8
125.46697	0.6
127.00324	1.9
136.01646	1.2
136.98790	2.0
137.02444	17.6
137.99562	1.1
138.03288	3.3
139.00383	3.9
139.03989	1.9
145.02940	0.9
147.04506	1.1
151.04027	0.6
153.01945	2.7
153.05579	10.0
154.02673	1.0
155.03529	2.7
159.04501	0.5
162.03244	0.5
163.04024	0.7
166.02689	0.5
166.99840	6.5
168.00569	1.8
169.01257	0.7
173.04483	0.7
175.03993	2.7
177.01802	0.6
177.05551	0.7
179.03534	1.1
181.01424	7.8
182.02213	12.9
183.02995	9.9
187.04045	0.7
188.04736	0.6
190.06328	0.9
191.05562	0.7
196.03772	1.1
197.04543	20.0
198.04878	1.2
203.07097	1.2
222.05302	2.3
225.03955	0.7
251.07294	1.2
253.08678	1.0
262.06250	0.7
263.07153	2.6
264.07834	1.1
267.06601	1.9
268.07455	1.1
269.08350	2.8
279.06674	4.3
280.07275	1.6
281.08267	6.0
282.08820	1.4
283.09680	2.0
291.06659	1.0
292.07544	0.7
293.08170	1.9
294.08905	3.9
295.06137	1.5
295.09750	2.8
296.06735	1.6
296.10236	1.4
297.07709	11.5
297.11105	1.4
298.07968	1.6
308.10391	1.5
309.07642	17.6
309.11258	6.4
310.08224	3.5
311.03976	0.9
311.09424	2.8
311.12277	0.6
312.10019	12.3
313.10538	3.6
323.09259	3.4
324.10019	13.1
325.10724	4.2
326.06363	4.5
326.11249	0.8
327.07220	2.9
327.12332	20.2
328.12711	2.9
339.12317	15.8
339.15378	0.4
340.12686	2.0
341.08743	30.3
342.09198	2.8
493.20691	3.5
529.86169	0.6
639.20984	0.9
651.20209	0.9
669.22003	2.3
681.22345	1.0
684.20667	1.1
699.22913	100.0
700.23175	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	698.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
61.98828	100.0
69.54506	0.4
69.70650	0.6
69.71049	1.6
78.95906	0.6
87.12347	0.4
96.81694	0.3
100.92619	0.4
116.92870	0.7
133.95328	0.4
429.83295	0.4
567.61633	0.5
709.28656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	1.9
69.44781	2.5
69.45206	2.6
88.98791	7.8
93.96541	0.6
96.61606	0.6
101.08160	0.6
107.01395	1.6
108.02187	1.3
109.02970	0.7
121.02926	1.6
128.64479	0.7
134.66521	0.8
136.92302	0.7
151.00371	9.9
163.00388	1.7
164.25581	0.6
178.99860	5.4
190.73007	0.8
191.05605	1.1
226.02605	0.8
227.03400	1.5
243.02925	5.5
254.02170	1.1
255.02963	16.1
256.03281	1.6
271.02463	35.7
272.02893	3.3
273.03891	1.1
275.78564	0.8
283.02521	0.7
299.01895	0.8
300.02740	72.7
301.03436	28.4
302.03860	2.9
444.06387	0.8
447.09222	1.6
527.80682	0.8
603.60840	0.8
609.14581	100.0
610.14880	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	699.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19513	0.3
59.01379	1.7
63.02402	0.5
71.01392	2.2
73.02954	1.8
75.51100	0.3
85.02957	1.3
87.00899	0.9
89.02452	13.0
96.96021	0.4
98.19860	0.7
101.02451	0.5
103.04026	1.7
107.05061	0.3
119.05034	0.5
123.04502	0.3
124.01671	28.3
125.02000	0.6
131.03499	3.1
133.02959	0.7
134.03783	0.6
135.04539	15.5
136.04874	0.7
139.04022	100.0
140.04355	3.6
149.04564	54.4
150.04889	1.6
160.33719	0.3
161.02495	1.7
163.00162	0.3
163.03973	1.5
179.03513	10.2
180.03928	0.6
181.05069	0.5
191.05618	0.9
193.05084	0.4
229.21851	0.4
257.64261	0.3
311.07761	13.9
312.08066	0.9
343.10345	12.1
344.10770	1.2
362.52783	0.4
466.04294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33084	0.6
52.53742	0.6
52.76375	0.5
59.01365	1.9
61.51027	0.6
61.98826	3.2
63.82810	0.5
69.54473	3.9
71.01373	1.9
75.94920	0.5
85.02940	1.5
89.02432	1.5
93.03430	1.5
108.02173	3.2
109.02949	2.5
117.03456	1.5
119.04998	0.6
121.02924	2.8
122.03706	0.7
123.04484	1.4
128.09131	0.5
133.01414	0.9
133.02986	0.7
135.04477	1.9
136.00598	0.9
136.01653	18.7
137.02470	3.1
145.02943	3.7
147.02950	0.6
149.04530	1.4
150.03203	1.4
151.04007	21.1
152.01184	0.6
159.04541	0.6
160.05305	1.2
161.06044	1.5
162.03186	1.1
163.04008	1.9
165.05551	0.7
172.05280	1.7
173.05959	0.7
175.03989	2.0
176.04808	0.8
177.05559	1.3
179.11006	0.6
187.04005	1.0
187.07562	0.9
188.04713	0.7
189.05595	2.7
190.06297	3.3
191.05568	1.7
191.07140	0.9
193.04944	1.2
209.06155	0.9
213.05545	0.8
225.05515	1.0
238.06326	0.9
241.05066	1.3
253.05092	2.2
255.06729	0.6
265.05048	1.7
266.05765	2.2
267.06528	1.3
268.07233	0.8
269.04550	6.1
270.05194	1.2
278.05829	0.8
279.06558	2.0
280.07303	2.0
281.04535	7.7
281.07864	1.4
282.05106	1.8
282.08856	0.6
283.06076	1.1
284.06912	4.5
285.07687	0.6
290.05884	1.2
293.08099	1.5
295.06094	1.5
295.09427	0.7
296.06906	9.0
297.07364	1.4
298.08450	0.6
299.09262	6.6
305.08267	1.3
307.06131	0.7
309.07584	0.8
311.09311	6.1
312.09634	0.8
313.10773	1.5
320.06729	0.7
321.07608	1.6
323.09195	1.4
324.09988	1.8
336.09964	2.5
337.10724	1.1
338.11642	0.9
339.12402	2.8
351.12231	1.3
384.12503	0.8
399.14206	2.6
415.11795	0.8
427.11758	1.9
429.13376	0.7
439.11679	1.1
442.14264	3.0
445.16400	1.8
446.16867	0.9
454.14127	0.7
457.17554	3.0
459.14484	1.2
460.15070	1.6
471.14276	0.7
472.15579	3.1
475.18317	8.4
476.17761	0.9
487.14111	5.3
487.17947	2.3
490.16376	3.5
502.16321	6.0
503.16592	0.9
505.18683	59.4
506.19043	9.4
517.18652	100.0
518.19055	16.5
535.19812	8.0
536.20050	2.0
565.19611	0.9
679.24304	1.2
697.23883	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20716	0.4
59.01386	2.7
61.98830	2.8
69.03439	0.5
69.56763	2.6
69.57169	0.7
71.01374	2.0
73.02940	0.5
85.02926	1.4
89.02438	0.6
93.03446	1.8
94.03754	0.5
94.44508	0.5
101.02409	0.7
109.02921	1.6
111.00908	0.6
113.02427	0.6
113.39844	0.5
119.05033	0.9
121.02948	4.5
123.00878	1.2
123.04523	1.7
124.01710	0.5
125.02423	1.2
131.43163	0.4
132.02151	1.3
133.01425	0.8
134.03711	1.6
135.04503	1.7
136.01646	8.4
136.05260	0.8
137.02455	5.1
145.02960	1.4
147.04477	0.6
149.02361	0.8
149.04573	0.9
149.06107	0.7
150.03172	0.9
151.04010	11.6
159.04475	0.6
160.01643	4.9
161.02126	1.7
161.04604	0.6
161.05984	0.8
162.03236	1.4
163.04004	3.2
172.05386	0.6
175.04004	6.6
176.04346	2.6
177.05585	1.5
179.03456	0.9
187.03975	1.0
189.05470	1.2
190.06361	1.7
191.05551	2.6
193.05113	1.2
195.06667	3.7
201.05624	1.0
225.05461	0.9
233.99426	0.5
237.05569	0.9
237.07883	0.6
238.06351	0.7
239.07213	0.6
240.04283	1.5
241.04990	1.3
251.07062	0.8
251.09384	0.7
252.04071	0.7
253.05016	1.4
254.05812	0.9
255.06531	0.9
256.07428	0.5
263.06995	0.6
265.04968	1.2
266.05728	1.7
267.06546	1.4
268.07263	0.7
269.04568	5.3
269.07516	0.9
270.05185	1.3
277.08615	0.6
278.05835	0.9
279.06653	1.8
280.07346	1.5
281.04507	5.2
281.07901	1.2
282.05087	1.9
283.05957	1.4
284.06854	5.2
285.07544	2.3
291.06454	1.1
292.07321	0.9
293.08057	1.0
294.08740	0.7
295.06113	0.9
295.09418	1.0
296.06863	7.5
297.07648	3.7
298.08337	2.1
299.09219	7.6
300.09442	0.6
305.08057	1.0
306.08841	0.7
307.06107	1.4
307.09668	0.7
308.06964	0.6
309.07654	2.2
309.10797	0.6
310.08231	1.1
311.09387	3.2
312.09900	1.5
313.10632	2.6
321.07840	0.6
323.09280	2.2
324.09976	2.0
326.10599	0.7
327.12305	1.8
328.12469	0.6
335.09125	0.6
336.10046	1.2
337.09314	3.3
338.09344	2.6
339.12247	2.5
340.12857	0.8
351.12317	0.8
415.11731	1.2
427.11765	1.2
430.14255	0.8
431.14774	0.8
442.14081	1.5
443.14783	0.6
444.15887	1.7
445.17157	3.1
457.16440	2.1
459.14438	1.7
460.15735	1.3
472.15918	0.7
475.13715	3.9
475.18137	2.1
486.16687	1.1
487.13666	13.2
488.14243	2.3
490.16312	8.5
491.16891	1.3
501.15689	0.9
502.16278	12.7
503.16647	2.1
505.18668	77.3
506.18997	13.9
517.18628	100.0
518.18982	17.2
535.19531	1.0
697.24139	5.4
697.36432	1.2
698.22491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.9
59.01372	1.9
60.08778	0.3
62.03678	0.3
63.96048	0.3
67.01906	0.4
69.50176	0.6
69.50581	1.5
71.01377	0.9
73.02950	1.7
80.58942	0.3
83.05028	3.7
85.02947	6.6
85.06592	1.9
86.14770	0.3
93.03460	3.5
95.05006	0.5
98.03725	0.6
99.04520	1.4
99.08179	1.5
109.06590	0.4
111.04507	1.1
119.05022	1.7
123.08173	1.6
134.03740	0.7
135.04520	10.0
135.08124	0.5
136.04855	0.5
137.02440	0.7
137.09711	1.5
139.07625	0.8
139.11307	1.9
149.09691	1.7
151.11284	2.4
155.03513	1.0
155.10756	2.1
163.04033	1.9
163.11301	3.3
165.12874	1.7
167.14436	0.6
169.12344	6.9
173.04539	15.0
174.04860	0.7
174.75044	0.3
177.12816	1.1
179.03506	8.9
179.10753	1.1
186.07945	0.3
191.05605	8.8
193.12308	0.6
194.12582	0.3
195.13896	100.0
196.14240	6.9
209.15410	0.7
213.14967	0.8
237.14909	1.2
255.16003	11.4
256.16357	0.9
257.13858	1.5
276.60556	0.4
289.07062	0.3
299.14987	12.6
300.15323	1.2
353.08746	13.8
354.09064	1.5
631.79437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2346
Annotation	Dihydrophelloside
Peak:m/z	Relative Intensity
59.01381	1.5
71.01381	2.0
83.05020	2.8
85.02968	1.0
86.49162	0.6
89.02471	1.2
93.03477	0.9
95.01388	4.2
101.02437	0.6
107.05014	0.6
107.68023	0.6
109.02980	1.9
111.00892	0.6
117.07135	0.9
118.04211	0.6
119.05042	0.8
119.77251	0.5
121.02979	0.9
123.00887	47.7
124.01665	54.6
125.02561	3.0
133.06607	0.7
135.04517	1.4
136.01715	1.2
137.02446	33.4
138.01590	0.5
138.03278	4.2
145.03015	0.7
147.04524	1.3
149.02406	2.7
149.04608	0.8
149.05957	0.6
150.03217	17.3
151.00383	1.1
151.03949	2.0
152.01157	6.3
153.01921	1.4
158.03767	0.5
159.04527	4.8
161.02414	1.7
161.06017	0.8
162.03131	0.7
163.03990	5.4
164.04771	2.1
164.07156	0.6
166.02707	0.9
171.04477	0.7
173.04630	0.7
174.03229	0.6
175.04034	2.9
177.01996	2.9
177.05554	12.1
178.02715	10.5
178.06020	0.8
179.03467	5.0
179.07047	1.3
187.03941	0.7
188.04745	1.0
189.05566	6.6
190.06313	1.0
191.03545	0.6
191.05620	1.9
199.97163	0.6
202.06110	0.6
203.07155	0.8
205.04996	1.3
206.05904	0.9
206.08209	1.1
207.06572	5.8
207.08286	0.8
219.10191	1.4
271.06229	0.8
286.08273	0.8
325.10782	1.4
328.09335	0.6
328.25403	0.6
342.11017	0.8
343.11807	6.3
355.11853	1.3
358.10321	0.8
371.11240	4.8
372.12125	14.9
373.12881	100.0
374.08496	0.6
374.13229	10.2
385.13025	1.2
415.13925	2.6
535.18195	75.1
536.18506	12.0
629.15356	0.6
697.23419	30.8
698.23749	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	697.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61561	0.2
59.01380	100.0
60.01714	1.3
61.14838	0.2
61.98830	1.5
62.58672	0.3
69.48325	1.6
89.80416	0.3
121.02969	1.9
126.57125	0.3
137.44601	0.3
151.91406	0.3
162.06912	0.8
172.76277	0.3
173.37738	0.3
177.09259	0.8
179.02911	0.3
189.05707	0.4
191.03575	0.9
209.04463	1.9
390.92447	0.3
575.12469	0.3
593.12708	1.4
697.22595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93066	0.6
59.03471	0.5
61.54149	0.5
61.98825	6.2
67.01894	1.0
69.03445	5.5
69.74168	3.5
78.95935	0.9
81.03437	0.7
83.01369	2.5
84.02165	0.8
91.01887	1.1
93.03455	3.4
95.01365	7.7
95.01845	0.6
98.20544	0.9
107.04967	0.8
108.02180	0.9
109.02946	10.4
119.05032	1.3
121.02950	10.9
122.03723	2.3
123.00874	1.3
123.04533	7.6
124.01675	1.2
125.02406	3.0
131.05025	1.7
133.06575	2.0
135.04506	2.1
136.01608	1.8
137.02437	14.7
143.05046	1.7
144.30275	0.6
145.02936	2.3
146.03671	1.3
147.04535	4.5
149.02414	1.9
149.06100	0.8
149.92709	0.7
151.03946	0.8
152.99557	0.7
158.03714	1.1
159.04526	5.4
160.05267	1.2
161.06009	2.6
162.03128	0.7
163.03975	0.9
165.05515	0.8
171.04533	2.1
171.10313	0.7
173.06032	1.5
174.03273	0.6
175.03960	5.1
176.04776	19.0
177.01833	0.6
177.05479	2.1
187.04021	5.4
189.05521	1.9
190.02849	1.0
201.05461	0.8
201.11305	1.1
205.05011	1.7
217.04951	1.2
223.07582	1.0
253.08794	1.1
263.07098	1.5
264.07858	2.6
265.08505	1.2
277.21725	1.7
281.08191	1.1
289.06934	0.8
292.07431	1.0
293.08173	2.1
295.22620	1.0
311.09192	2.5
327.08719	21.1
328.09125	1.9
340.09167	0.9
341.10275	62.3
342.10583	6.3
355.08200	100.0
356.08517	12.0
357.09818	2.8
381.80176	0.7
662.31506	0.8
669.20471	0.7
679.18268	2.8
697.20886	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	696.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
60.01696	0.2
61.98828	100.0
62.98517	0.2
64.16975	0.1
69.81878	0.5
81.33269	0.1
93.04647	0.1
93.77482	0.1
98.19839	0.1
125.93072	0.1
238.26189	0.1
247.86646	0.2
286.64819	0.2
336.16730	0.1
515.61969	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	696.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.2
59.01382	3.7
61.98830	100.0
64.47062	0.2
67.01867	0.2
69.03454	0.3
69.32207	2.1
71.01393	0.4
73.02943	0.4
83.01400	0.6
84.02168	4.6
85.02951	1.7
93.03458	0.7
97.02946	0.5
101.02464	0.8
108.02180	5.0
109.02956	1.4
109.77355	0.3
111.00880	0.4
119.05054	0.5
121.02956	4.0
122.03767	0.4
123.00909	0.4
123.04523	0.3
125.02517	0.3
129.01912	0.5
131.05055	0.3
133.03012	0.4
133.06599	0.3
134.03787	0.4
135.04564	0.6
136.01669	3.1
137.02461	2.0
143.05093	0.3
145.02959	0.4
146.03813	0.2
147.04518	1.5
147.08231	0.3
149.02454	0.8
149.06036	0.3
150.03273	0.6
151.03995	0.3
159.04480	0.3
161.02480	0.7
161.04826	0.3
161.06013	1.6
162.03285	0.5
162.06842	1.1
163.04062	1.5
163.07652	1.3
164.04778	0.5
165.01930	1.5
167.03563	0.4
171.04495	0.5
172.86435	0.2
173.00877	0.3
173.06064	0.2
174.03323	0.3
175.03996	2.4
176.04802	0.9
177.05553	0.3
182.02171	0.4
187.04085	0.4
189.05513	1.6
190.06314	2.8
191.02060	0.3
191.03502	1.4
191.05591	0.3
191.07123	2.1
193.05074	0.8
193.08722	0.4
201.22295	0.2
202.06296	0.3
204.04271	1.3
205.04956	0.3
205.08640	1.1
219.06584	2.4
220.07469	1.1
222.93652	0.2
234.05363	0.4
235.09782	1.4
299.12973	0.5
327.12183	1.3
339.12521	0.4
355.11981	1.3
356.12570	3.2
357.13501	0.4
367.11981	0.3
370.10678	0.3
385.12918	69.5
386.13266	8.5
402.71054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71657	0.2
52.15224	0.2
54.01081	0.2
56.28806	0.2
56.38522	0.2
59.01368	1.0
62.60073	0.2
65.37681	0.2
69.63774	1.5
71.01393	0.6
73.02918	0.3
85.02944	5.4
85.05164	0.3
87.00885	1.1
93.03465	2.4
99.04523	0.4
109.02962	0.7
111.00846	0.4
111.04506	0.8
127.04002	1.6
133.02922	0.5
135.04515	2.9
137.02426	0.4
153.01903	0.3
161.02475	1.4
171.02968	0.5
173.04532	3.5
179.03484	2.7
183.31688	0.2
191.05598	100.0
192.05939	4.0
193.12349	0.7
315.07443	0.3
353.08734	20.6
354.09036	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	695.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15216	0.2
57.03448	5.0
59.01379	6.1
59.86523	0.3
69.03468	0.4
71.01377	0.8
71.54450	0.4
73.02956	0.4
73.61228	0.3
83.05017	0.3
85.02954	6.0
87.00860	1.3
93.03455	2.4
96.96013	0.5
98.95580	0.3
99.04506	0.6
109.02945	0.5
109.06601	2.6
111.04504	2.4
121.06588	0.3
123.04528	0.6
123.08186	0.4
125.06088	0.3
127.04026	1.6
131.35425	0.3
133.02950	0.6
135.04491	0.9
135.08156	4.5
137.09727	2.5
138.06860	0.5
149.09727	1.0
153.09200	1.4
155.03534	0.3
161.02440	2.1
163.11290	2.3
167.03490	2.7
167.10793	1.8
171.02991	0.6
173.03244	0.3
173.04608	1.7
177.09207	5.5
178.09572	0.4
179.03514	0.5
189.19513	0.2
191.05614	100.0
192.05977	3.7
193.12334	18.6
194.12680	1.3
208.15245	0.3
208.78011	0.3
211.13400	7.5
212.13713	0.6
217.12344	0.7
235.13409	3.7
253.14412	3.4
255.12349	0.5
267.11374	0.3
297.13388	2.6
299.07739	0.6
337.09308	1.1
353.08752	24.2
354.09000	1.9
362.14856	0.3
392.16339	0.4
469.18454	0.8
529.92072	0.3
591.24445	0.3
630.12732	0.3
633.26019	1.8
634.24902	0.4
651.26746	1.4
712.00220	0.3
713.87158	0.4
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
50.11713	0.5
50.47143	0.4
50.70684	0.5
59.01379	100.0
60.01706	0.8
61.98834	13.8
66.32330	0.5
68.99575	1.1
69.17497	5.3
69.19358	0.6
78.95905	9.2
79.08011	0.6
81.11816	0.6
100.59843	0.5
112.98561	0.9
116.92837	0.6
118.23147	0.6
124.31902	0.5
136.79391	0.5
139.28293	0.6
154.87018	0.5
242.86710	0.5
247.58034	0.6
286.01099	0.5
415.69833	0.6
424.31961	0.6
529.07672	0.5
695.31110	42.5
696.31458	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	695.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26489	0.2
59.01368	0.8
67.01894	0.4
69.03452	0.2
70.45300	0.4
70.45628	0.4
71.01379	0.7
73.02958	0.3
83.01389	0.2
83.05045	0.3
85.02951	5.5
87.00875	1.2
93.03455	2.5
94.03801	0.2
109.02940	0.3
111.04517	0.8
113.56203	0.2
127.04014	1.2
133.02963	0.4
134.03703	0.2
135.04517	2.3
137.02397	0.3
146.04628	0.2
155.03520	0.2
161.02470	1.5
171.03008	0.5
173.04524	2.6
179.03523	2.6
180.03828	0.2
191.05606	100.0
192.05943	3.5
195.13847	0.3
196.62299	0.2
219.55042	0.2
261.91180	0.2
353.08704	21.4
354.09064	1.9
634.89722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.2
59.01368	1.2
67.01894	0.3
67.60056	0.2
71.01379	1.3
71.52771	0.3
73.02938	0.4
81.03484	0.2
83.01414	0.2
83.05001	0.2
85.02952	6.6
85.03470	0.3
87.00876	1.4
89.02449	0.3
93.03454	3.0
99.04507	0.3
101.02438	0.3
108.02174	0.4
109.02941	0.9
111.04509	1.2
113.02435	0.2
122.03730	0.4
123.04502	0.5
125.02405	0.3
127.04001	1.6
133.02948	0.5
134.03712	0.3
135.04527	4.0
136.04796	0.2
137.02452	0.5
146.96390	0.2
150.23990	0.2
155.03450	0.4
161.02466	1.8
161.04552	0.5
163.04037	0.2
167.03448	0.4
171.02991	0.5
173.04555	4.4
173.06039	0.3
174.48232	0.2
177.01985	0.2
179.01918	0.2
179.03485	3.8
191.05608	100.0
192.05972	3.8
195.13895	0.5
218.78712	0.2
284.33066	0.2
313.09372	0.2
329.08649	0.5
353.08746	22.4
354.09113	1.9
359.06271	0.3
467.88278	0.2
533.00024	0.2
561.12427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.5
59.01381	3.1
61.98829	5.6
67.01881	0.8
69.03442	0.4
71.01378	2.8
71.55476	0.7
73.02932	1.1
79.39210	0.3
81.03448	1.6
83.00922	0.5
83.01383	6.0
83.05042	0.5
85.02942	2.7
88.98812	0.5
89.02432	1.2
93.03448	3.8
95.01371	1.4
95.05013	1.7
95.55856	0.4
97.02931	1.5
99.00873	0.5
99.04505	0.6
101.02424	2.0
108.02129	1.4
109.02946	1.4
111.00831	0.7
111.04484	0.7
113.02416	1.6
116.92815	0.5
119.03476	0.6
119.04969	0.4
121.02943	0.9
123.00829	0.5
123.04515	2.7
124.01628	0.5
125.02435	4.1
129.01929	0.5
133.06592	0.4
134.03726	1.4
135.04536	1.0
136.01668	1.1
137.02437	3.5
137.06041	1.1
139.04022	2.1
143.03477	0.6
149.02383	0.9
149.06036	0.7
150.03229	0.9
151.03979	1.5
152.04233	0.4
153.01854	0.5
155.03510	1.0
156.10262	0.4
156.57103	0.4
159.04451	0.7
161.02470	0.4
161.04601	1.0
163.00435	0.5
163.03960	1.1
164.04622	0.4
165.01918	2.6
165.05545	0.9
167.03487	11.2
168.03870	0.9
173.00966	0.4
173.03151	0.6
173.04550	6.7
173.06009	0.9
175.04008	0.5
176.04723	0.6
177.05531	0.8
178.02643	1.0
179.03496	3.9
179.05112	0.6
179.89828	0.4
180.04216	1.3
181.05063	0.9
187.03958	0.5
188.04703	0.5
189.05505	1.3
190.06354	0.6
191.03557	0.7
191.05554	2.2
191.07149	1.3
193.05043	2.7
197.04550	1.8
200.04756	0.5
203.03503	0.9
203.07170	0.8
205.05017	1.1
209.04529	5.6
210.04985	0.5
215.03456	0.5
215.07106	0.6
217.05104	2.9
217.08623	0.6
218.05585	0.4
219.06601	1.7
221.04449	1.1
221.06549	0.8
223.06113	0.5
227.03510	0.4
229.04828	0.8
230.05911	0.6
231.06610	2.6
232.07230	0.6
233.08232	1.0
239.05496	3.2
243.06535	1.1
245.04510	4.5
245.06673	0.7
246.05069	0.5
253.08659	0.5
255.02795	0.5
255.06522	1.2
257.04593	1.0
257.08112	0.8
259.06033	3.7
260.06693	0.5
260.16693	0.5
261.07651	4.8
269.08173	0.7
271.05920	0.4
273.07654	0.8
275.05585	1.4
283.06061	1.1
283.09653	0.5
285.04089	0.5
285.07556	1.4
287.05621	6.1
288.05927	0.6
289.07214	0.6
291.08832	2.8
295.05988	0.5
297.07599	1.2
299.05701	0.9
299.09158	1.1
300.02692	0.5
303.08701	1.4
309.07593	0.5
311.09106	1.0
315.08698	0.5
317.06534	3.1
323.09598	1.2
325.07065	0.9
327.08676	2.3
337.06805	0.5
339.08603	1.4
341.06644	0.4
341.10199	1.9
345.09695	0.7
351.08432	0.7
353.10254	1.2
355.08011	0.9
357.09726	1.1
367.08102	0.6
369.09851	1.3
371.07498	1.5
371.11664	2.4
381.09763	0.7
383.07236	0.6
393.09717	0.6
397.09140	0.8
398.09882	0.7
399.10788	0.8
401.08734	1.2
411.10956	0.9
413.08423	2.1
414.09000	0.5
423.10806	0.5
425.08694	1.1
426.09375	1.2
437.08972	0.6
443.09717	2.5
455.09845	12.5
456.10297	2.5
467.09543	0.7
485.10876	17.2
486.11346	2.8
497.10779	1.4
515.11792	5.5
516.11816	0.6
527.11877	1.7
557.13086	1.9
575.13953	11.5
576.14282	1.8
587.14368	0.6
605.15259	2.0
632.27216	2.1
677.17096	1.7
695.18201	100.0
695.35272	5.3
696.18457	19.9
696.37244	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33021	0.7
52.37283	0.9
59.01373	4.3
60.99284	1.2
61.98827	2.1
67.01888	7.5
69.03432	0.9
70.47610	3.1
71.01386	4.0
77.03963	1.8
79.05515	0.8
81.03459	1.5
81.59441	0.7
81.59888	0.8
81.66242	0.7
83.01431	0.9
83.05025	1.8
85.02952	6.4
87.00879	6.3
89.03960	1.1
93.03460	46.1
94.03768	1.5
95.05004	4.1
96.96014	1.4
105.03467	12.2
107.05044	3.2
108.02160	1.5
109.02961	11.4
111.00905	1.1
111.04533	8.3
113.36314	0.7
117.03481	0.8
121.02943	3.4
123.04530	4.8
123.88310	1.1
124.01669	1.8
125.02480	1.6
127.04014	1.2
129.01927	1.3
132.02098	0.9
133.02962	80.9
134.03821	6.6
135.04535	58.1
136.04906	1.7
137.02444	8.6
139.03986	1.8
145.50203	0.8
149.02428	2.7
150.03215	6.6
151.04028	6.3
155.03490	3.6
161.02466	3.6
173.04553	100.0
174.04866	3.4
177.01932	38.1
178.02719	9.1
179.03502	14.6
181.28415	0.9
191.05618	43.6
192.05948	1.4
195.03062	1.4
205.94765	0.9
215.05618	34.5
216.06036	1.5
230.07381	1.0
270.01675	4.2
285.03998	1.6
299.01950	1.0
307.08246	9.4
308.08997	8.9
313.03519	4.5
328.06015	4.3
343.08191	3.5
351.07214	65.7
352.07849	14.1
353.08719	1.1
549.90057	1.0
564.56641	1.0
628.88641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.1
61.98829	100.0
62.98520	0.2
68.31932	0.1
69.11720	0.1
69.28185	0.7
85.12853	0.1
98.20650	0.1
109.02967	0.1
121.03003	0.1
122.00267	0.1
123.00871	0.1
123.04485	0.1
124.01659	0.3
127.43137	0.1
133.02989	0.1
137.02440	1.0
138.03226	0.6
149.02490	0.2
150.03232	0.2
151.04044	0.1
152.01134	0.9
163.04083	0.2
166.02689	0.1
177.01871	0.4
177.05473	0.1
178.02676	0.6
179.03525	0.5
180.03902	0.1
191.05646	0.1
193.04979	0.1
202.02837	0.1
205.05063	0.1
205.46173	0.1
206.05853	0.3
314.72018	0.1
356.08780	0.1
357.09860	0.1
371.11334	4.5
372.12039	5.1
373.12308	1.1
374.12238	0.4
375.12961	0.1
469.18930	0.4
470.19080	0.1
597.17297	0.1
715.25806	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	694.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
61.98828	100.0
62.98519	0.2
69.48586	0.9
71.01369	0.2
87.00847	0.1
89.02465	0.2
98.20620	0.3
107.05009	0.1
109.02974	0.1
115.00431	0.1
117.35625	0.1
124.01676	0.3
128.63580	0.2
131.05087	0.1
133.02942	0.2
133.14276	0.1
135.04485	0.1
137.02440	0.9
138.03264	0.4
149.02477	0.1
149.04579	0.2
152.01161	0.8
159.64941	0.1
163.04001	0.3
177.01947	0.4
178.02739	0.5
179.03514	0.5
191.05667	0.2
364.89487	0.1
371.11331	4.6
372.12064	3.9
372.16733	0.2
373.12073	0.6
374.12442	0.3
446.74554	0.1
449.14453	0.3
469.18848	0.4
589.18573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
61.98830	100.0
62.98522	0.1
69.62952	0.5
71.01372	0.1
79.56915	0.1
85.02957	0.2
98.19896	0.2
104.73939	0.1
108.93573	0.1
109.02972	0.1
116.92882	0.2
137.02467	0.1
191.05571	0.4
192.06000	0.1
246.27208	0.1
325.18802	0.1
355.08542	0.1
356.08661	0.1
371.11398	0.4
372.11758	0.6
373.11884	0.8
374.12073	0.6
393.14709	0.1
446.17935	0.1
469.18820	0.1
470.19138	0.3
471.19485	0.3
472.19821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57780	8.0
89.03130	1.2
92.39355	1.2
96.96005	3.1
98.20642	1.6
98.95594	1.6
122.06118	8.8
144.04541	2.4
144.97095	1.3
146.83240	1.2
158.54543	1.5
160.04012	1.7
162.05569	1.5
168.98952	1.3
204.06613	3.1
211.05136	2.0
211.08484	1.5
212.05872	3.1
225.06633	2.5
227.11707	2.0
234.25896	1.2
238.07404	2.1
239.08194	8.1
239.52924	1.4
240.09033	2.1
241.09828	1.5
251.08199	1.5
251.11876	4.1
253.06052	1.6
253.09804	10.4
254.10503	2.7
265.06158	3.6
266.06946	5.6
267.07748	8.2
267.11340	5.3
268.08499	3.5
279.07776	3.9
280.08569	8.2
281.09271	10.2
282.10101	1.8
283.10770	5.8
284.08145	2.4
284.11234	1.9
285.12610	1.8
294.10315	2.1
295.10852	31.5
296.11563	7.6
297.08804	2.8
297.12320	2.4
298.09622	6.1
299.10504	3.0
300.11215	3.1
311.07129	1.4
311.10245	8.1
312.11127	3.5
313.08606	2.1
313.11951	6.6
314.12607	1.4
319.14517	1.6
322.15567	1.4
327.09653	4.3
327.13474	3.8
328.10553	2.6
333.11230	1.6
334.11978	3.9
339.09750	3.3
341.11423	4.9
342.12048	2.4
343.12943	3.5
346.15839	3.3
348.13574	4.0
351.12152	6.0
360.13324	1.6
362.15118	5.4
371.12305	1.6
372.13419	3.0
372.74139	1.5
374.11252	2.2
376.12656	2.5
376.16748	5.2
379.15280	2.1
388.12769	5.5
389.13391	2.2
390.14322	10.8
390.18439	1.2
392.12265	3.6
392.16574	2.7
394.17783	2.0
402.14706	3.6
404.16129	8.2
405.16815	1.9
406.13992	11.6
407.14706	11.7
418.17996	2.0
420.15628	20.1
421.16058	2.9
422.17212	1.5
424.15213	3.8
434.17572	3.6
435.18039	11.6
436.18411	3.0
438.16400	6.8
439.17377	3.8
448.15164	4.1
452.18198	5.9
464.14783	8.4
466.16278	2.1
478.16132	3.2
479.16992	12.6
480.17639	5.3
496.16946	6.2
510.19012	3.2
511.19595	53.5
512.20087	17.7
538.13885	1.5
543.18683	4.2
599.24976	5.8
600.24695	1.5
601.22803	4.0
633.25696	11.9
634.25616	2.6
643.24133	20.0
644.24152	4.9
657.25146	2.7
661.25372	21.6
662.25934	6.8
675.26648	100.0
676.27045	24.2
693.27753	76.2
694.28217	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	693.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01703	0.9
61.98827	2.9
64.30866	0.4
69.50567	0.4
71.23375	0.7
75.94258	0.5
78.95905	0.5
82.66300	0.5
96.99779	0.4
107.05435	0.4
117.20171	0.4
179.40015	0.5
189.51355	0.5
232.71312	0.4
255.23262	0.9
277.21719	9.0
278.22131	1.1
310.39572	0.4
428.54041	0.4
714.70868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.2
59.01377	1.0
59.65373	0.2
69.68690	0.9
71.01389	1.0
73.02905	0.3
83.01346	0.2
83.39715	0.2
85.02948	1.3
87.00861	0.3
88.49680	0.2
91.05553	0.2
93.03453	1.8
96.96017	0.3
101.02444	0.7
113.02443	0.3
114.67229	0.2
117.03398	0.3
119.05022	92.9
120.05355	4.0
125.02466	0.2
126.00143	0.2
127.04041	0.2
127.98958	0.2
134.03714	0.3
135.04520	0.4
138.58543	0.2
142.45801	0.2
161.04631	0.3
161.05925	0.2
163.04001	100.0
164.04333	4.6
165.05586	2.0
173.04532	0.5
191.01962	0.4
191.05618	4.4
192.05954	0.5
193.05109	0.3
205.05133	0.3
235.11859	0.6
325.09268	16.5
326.09586	1.6
327.10703	0.7
353.08282	0.2
367.10471	0.6
367.16025	2.3
444.71140	0.2
614.43988	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
69.75146	0.6
69.75549	0.8
71.01385	0.5
73.02940	0.4
85.02944	0.5
91.96896	0.2
93.03448	1.3
98.61711	0.2
101.02435	0.7
119.05024	94.6
120.05371	4.6
125.18896	0.3
134.03725	0.5
146.03302	0.3
146.51907	0.2
163.04002	100.0
164.04340	5.3
173.04572	0.3
191.05588	2.8
193.04993	0.5
215.32948	0.3
235.11795	0.7
253.95584	0.3
279.58795	0.3
325.09268	16.7
326.09512	1.5
367.10324	0.9
367.16037	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	693.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
71.01348	0.6
71.87395	0.3
73.02934	0.3
86.80849	0.3
87.99966	0.3
93.03463	1.5
101.02448	0.6
113.02521	0.3
115.18127	0.3
117.03445	0.3
119.05028	86.0
119.47332	0.2
120.05367	4.0
130.18164	0.3
134.03728	0.3
162.52098	0.2
163.04005	100.0
164.04349	5.0
173.04596	0.3
191.05597	3.2
193.05112	0.4
235.11873	0.7
325.09262	17.1
326.09448	1.7
367.10675	1.3
367.15930	2.3
437.55548	0.3
535.45978	0.3
595.77118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	48.9
58.03779	0.5
59.01384	2.6
61.98849	0.5
65.46764	0.3
69.39790	2.3
69.89441	0.4
71.01379	0.6
81.03483	1.2
83.01414	0.4
85.02950	0.6
99.04514	26.3
99.08148	0.5
100.04849	0.7
101.02441	12.6
108.02177	0.7
109.02994	0.8
113.02426	0.4
121.02944	0.7
121.40231	0.3
122.03754	0.3
123.00861	0.4
125.02440	14.0
126.02798	0.4
136.01656	27.8
137.02473	3.8
143.03491	0.4
145.08704	2.9
145.39363	0.3
149.02434	0.4
151.00372	4.5
151.03998	36.5
152.04503	1.4
159.04514	0.4
161.02490	0.4
161.04530	0.4
162.03227	0.8
163.03972	0.5
166.02705	18.7
167.03284	1.1
175.04010	0.4
175.07626	0.5
177.01935	1.0
177.05482	0.7
179.03531	0.5
181.05052	24.0
182.05437	1.0
187.09778	1.2
189.05655	0.4
191.05635	0.6
193.05142	0.3
205.05209	0.3
205.08722	0.5
209.04550	0.5
299.09152	0.5
305.08655	0.5
329.10312	1.1
357.09689	6.7
357.13461	1.0
358.10095	0.5
372.12033	5.5
373.12750	1.1
387.14468	100.0
388.14816	12.0
388.36035	0.4
398.16321	0.4
527.60400	0.4
531.18634	0.7
548.48706	0.4
549.20056	0.6
643.24231	0.4
680.31543	0.4
693.24957	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71085	0.5
59.01379	100.0
59.06381	0.4
60.01718	0.8
61.98829	1.9
63.66521	0.4
70.82538	0.4
71.01407	0.9
75.23647	0.4
88.98751	0.4
98.19822	0.8
99.39526	0.4
110.72367	0.4
118.47618	0.4
210.27051	0.5
220.66141	0.4
277.21701	20.6
278.22101	1.9
677.19257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01710	1.0
61.98827	1.1
71.01371	0.5
71.46433	1.0
78.95932	0.8
84.95295	0.6
116.58838	0.6
123.87211	0.5
125.01748	0.5
152.99562	1.1
153.84535	0.5
156.74274	0.5
158.97177	0.5
166.57446	0.6
209.11816	0.9
227.12868	1.1
277.21695	7.5
278.22122	0.7
285.23639	0.5
291.23361	1.6
348.29227	0.5
447.89191	0.5
455.16650	0.8
602.10687	0.6
602.20764	0.6
691.39301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54429	0.4
57.03450	71.9
58.03781	1.3
59.01377	3.2
61.98823	4.3
67.01883	0.5
69.18184	3.8
69.18591	0.8
71.01392	1.2
77.95749	0.5
81.03454	1.2
83.01421	1.4
85.02971	1.4
90.03709	0.4
91.24127	0.4
93.03480	1.2
96.95977	0.5
99.04520	42.7
100.04872	0.7
101.02444	15.1
101.03105	0.9
108.02165	0.6
109.02950	1.1
111.00868	2.4
113.02451	0.6
119.05032	0.7
121.03027	0.6
123.00874	0.6
123.04541	0.6
125.02448	18.4
127.00448	0.5
135.04486	0.7
136.01660	34.8
137.02495	4.4
143.03526	1.2
145.08789	0.5
149.33211	0.4
150.03226	0.6
151.00436	2.9
151.04010	43.6
152.01155	0.5
152.04532	1.7
159.04552	0.7
163.04051	1.1
166.02710	13.6
166.04050	0.8
167.03442	1.1
175.04022	0.6
177.01953	1.1
177.05612	0.8
179.03467	0.7
181.05063	18.4
182.05424	0.9
189.05693	0.5
191.05565	1.1
194.00864	0.5
199.15851	0.6
205.05156	0.6
299.02240	0.6
311.09525	0.8
326.11639	0.9
327.12329	0.9
329.10281	1.8
357.09781	10.4
358.10208	1.0
372.12122	10.1
373.12714	1.6
387.14484	100.0
388.14838	11.0
427.10446	0.6
486.14178	0.7
487.13983	2.5
531.18475	0.5
579.36011	0.6
693.23352	1.8
693.35022	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
59.01374	11.8
61.98832	1.5
68.99790	0.2
69.03452	0.4
71.01379	3.2
72.99292	0.3
73.02943	0.9
80.02670	1.3
81.03454	1.0
83.01387	0.6
83.05025	4.4
84.02148	0.6
85.02966	0.9
87.00874	1.8
88.00401	0.4
89.02442	2.1
89.03952	0.4
93.03458	0.8
95.01414	0.5
95.05029	0.8
96.96011	0.6
97.02959	0.3
99.04527	1.3
100.91217	0.3
101.02438	2.6
107.05029	0.3
108.02168	0.7
108.08173	0.5
109.02988	0.7
109.06554	0.3
111.00883	0.7
113.02449	0.9
119.03522	0.4
119.05019	0.5
121.02927	0.9
123.00877	0.8
123.04534	0.8
124.01650	0.5
125.02402	1.5
125.09707	1.0
127.11291	0.9
131.05000	0.5
133.02937	1.0
133.06580	0.5
134.03758	0.7
135.04556	0.4
135.08141	0.8
136.01669	0.5
137.02484	2.1
137.09709	0.3
138.03209	1.1
139.07713	0.2
143.03583	0.4
143.05014	0.2
146.03575	0.2
147.04570	0.3
149.02422	0.9
149.06133	0.3
151.00427	0.3
151.04021	1.0
152.01157	1.4
159.04535	0.9
161.02472	0.3
161.04584	1.0
161.06047	0.6
162.03169	0.4
163.03984	1.1
163.11278	3.5
164.11557	0.4
165.01898	1.1
165.09189	0.6
165.12833	1.9
166.02658	0.2
171.04532	0.3
171.10303	1.8
173.04538	0.4
173.06068	0.3
175.04048	0.7
177.01935	2.2
177.05591	0.6
178.02725	0.6
179.03500	1.1
179.05608	0.4
181.12350	0.7
183.10303	0.3
187.03986	1.1
191.03676	0.4
191.05629	1.2
191.07143	0.3
191.10788	0.6
193.05032	0.6
199.13385	0.4
201.11310	21.8
202.02774	0.4
202.11678	1.1
203.03503	0.4
205.04997	1.2
207.10300	0.4
209.11815	100.0
210.12157	6.7
210.68068	0.3
211.12239	0.4
217.05000	0.3
219.06528	0.4
223.13412	0.9
225.11298	0.9
227.12885	14.0
228.13148	1.3
235.08176	2.8
253.09273	7.7
254.09567	0.6
267.12347	0.6
282.08868	0.3
289.07318	0.4
302.74554	0.3
341.06735	0.3
343.12036	0.6
371.11319	24.1
372.11877	6.9
373.12665	0.6
375.21906	0.6
385.08600	1.9
385.13492	1.8
386.08923	0.3
386.13406	0.4
393.22946	0.4
413.12436	1.2
414.12814	0.3
437.20346	1.1
440.07751	0.3
445.20883	2.6
446.21347	0.5
463.21991	0.5
469.18640	9.9
470.18863	1.5
492.52759	0.3
534.17358	0.6
611.29950	0.3
629.31989	0.6
637.31940	0.9
645.99500	0.3
655.33020	0.5
691.24451	1.1
691.35223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
56.17992	0.8
57.03437	2.1
59.01382	10.1
61.98821	5.3
66.42218	0.8
69.03453	0.7
69.18563	8.0
69.66768	0.8
71.01377	10.8
72.99281	0.8
73.02930	1.9
75.00879	1.2
78.95882	0.9
80.02660	1.2
81.03445	1.1
83.01385	1.2
83.05032	4.3
84.02208	1.1
85.02961	4.7
87.00880	1.1
89.02446	5.6
93.03452	1.8
95.01295	0.8
95.05017	2.0
96.96004	2.2
97.06586	4.3
98.20647	2.2
99.00893	1.1
101.01883	0.7
101.02442	4.8
101.06087	2.5
102.53264	0.8
111.00892	5.6
113.02461	2.3
119.03428	1.3
125.02428	3.2
125.09676	1.0
137.02448	2.0
145.05078	1.0
151.11270	15.2
159.04463	1.1
161.04550	0.9
163.11319	3.1
165.01968	1.4
165.12851	2.1
169.12341	67.0
170.12642	3.0
171.10289	2.6
173.00896	1.8
173.04530	1.4
181.12331	1.2
191.05566	4.6
195.10301	2.1
201.11407	0.9
207.10211	0.9
209.11829	53.3
210.12181	4.3
211.13380	2.6
213.11278	8.9
223.09792	4.8
223.16890	1.5
225.11287	1.8
226.06299	0.8
227.12878	3.3
235.08295	1.1
251.03468	1.7
252.04379	1.0
253.09219	3.6
269.04523	4.9
270.05338	3.5
275.20270	1.4
293.21246	4.6
367.11893	2.0
371.11395	5.6
385.12958	1.6
397.13696	1.8
415.14322	2.1
432.10687	1.3
433.71011	0.9
449.20444	4.7
469.18719	3.5
641.31641	1.1
659.32806	100.0
660.33105	18.3
691.36749	7.3
692.35468	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	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05201	0.2
55.01880	0.4
57.03439	0.9
57.49096	0.2
58.00584	0.7
59.01379	15.1
61.98827	1.6
68.99783	0.2
69.03444	1.1
71.01379	13.4
72.06625	0.2
72.99319	1.4
73.02943	1.8
75.00864	0.8
81.03423	0.4
83.01394	1.7
85.02950	3.3
87.00876	2.2
89.02443	11.6
93.03470	0.4
95.01380	1.0
95.04993	0.4
96.96009	0.3
97.02962	1.8
99.00868	0.9
99.04485	0.4
101.02444	9.6
101.06084	0.3
108.02183	0.2
109.02975	0.3
111.00854	0.4
111.08152	0.4
113.02443	4.8
116.92839	0.9
119.03502	2.9
125.02448	3.8
131.03516	0.6
133.01569	0.3
133.05081	0.4
139.03987	0.4
143.03491	1.4
149.04507	0.3
159.02974	0.3
161.04549	2.0
173.04539	0.5
177.09137	0.3
179.05595	2.8
179.14371	0.8
181.12312	0.3
183.10338	0.3
191.05557	1.0
195.13889	7.4
196.14481	0.7
201.05666	0.3
205.12331	0.5
205.15912	0.4
207.10205	0.4
209.11771	0.8
211.13379	0.7
221.06638	0.7
222.90094	0.3
223.13388	5.4
224.13795	0.4
225.15044	0.3
228.13620	0.6
231.21114	0.4
235.08228	3.1
253.09282	0.8
256.13153	1.0
263.07632	0.5
265.21777	0.5
269.04416	0.4
270.05389	0.4
275.20178	4.3
276.20477	0.4
287.07791	0.6
293.21210	100.0
294.21518	10.4
296.65439	0.3
305.08896	0.7
323.09827	0.4
371.11331	1.1
385.16714	0.4
397.13480	24.2
398.13757	2.0
415.14551	26.2
416.14822	2.4
469.18814	0.3
654.27228	0.6
691.35132	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10382	0.4
57.51566	0.5
59.01378	1.7
61.98820	2.5
62.70664	0.4
63.02403	1.6
65.00330	1.5
65.11097	0.4
71.55231	0.6
72.98647	0.4
78.95917	0.7
81.86839	0.4
83.01391	0.8
84.89343	0.5
99.65485	0.4
107.01386	2.2
117.03474	1.9
137.10098	0.4
148.01668	0.7
149.02432	1.1
149.99629	0.7
151.00374	3.4
171.04492	1.1
172.05313	0.5
184.05232	0.5
196.05348	0.9
200.04767	1.0
204.37753	0.5
211.03984	2.3
212.04768	1.2
225.05449	1.0
227.03651	0.6
238.12358	0.5
239.03543	3.1
240.04254	5.9
267.02942	3.1
268.03757	100.0
269.04431	26.8
270.04907	1.5
281.04504	0.7
283.06036	1.5
311.05563	1.3
413.08630	0.9
485.10739	0.5
691.31165	77.9
692.31500	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	691.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11801	2.1
57.03448	2.3
58.11838	2.2
59.01378	21.2
61.98833	22.2
64.84563	2.0
71.01385	15.8
71.17936	4.3
74.68289	1.9
75.00867	2.7
75.11235	2.5
83.01381	4.3
83.05005	2.5
85.02967	5.4
87.00861	3.4
87.42470	2.1
89.02449	6.5
93.03438	3.2
95.01392	6.1
95.05036	9.9
96.96004	9.2
97.02939	3.4
98.03741	4.1
101.02443	9.9
101.06076	51.4
108.02177	3.4
109.02932	3.0
111.00842	2.4
112.87134	2.0
116.92854	6.6
121.02940	3.1
122.03753	9.2
123.04477	2.5
124.01674	7.1
125.02474	21.5
134.03738	3.0
137.02438	20.5
137.09705	6.3
139.07605	4.4
143.03468	2.8
145.02988	12.4
146.03766	3.3
147.00822	4.1
148.01659	4.6
149.02415	6.2
151.04068	3.2
155.09731	2.2
155.10750	12.4
159.04495	8.5
161.02426	8.2
161.04578	2.2
164.01170	2.9
165.01883	16.3
169.06648	2.5
171.10266	4.3
173.04575	4.7
173.06067	6.4
179.10779	3.4
181.08627	2.5
183.04443	8.4
185.06087	2.3
186.03331	2.7
191.05573	8.4
197.06010	11.3
197.11732	2.8
198.03130	3.3
198.06662	2.8
199.03944	5.4
200.04826	3.0
201.05569	14.3
205.08539	2.1
207.04431	5.4
209.11847	7.6
210.12158	3.1
211.13477	4.8
222.09003	4.8
223.09755	100.0
224.10005	4.0
225.05588	17.1
226.06297	12.8
227.03513	6.6
235.17009	8.3
241.05023	20.1
242.05853	6.8
247.09598	3.4
249.07541	12.8
251.03505	13.7
252.04166	8.8
253.04974	2.5
253.09630	2.1
269.04535	82.2
270.05289	61.3
271.05685	5.0
275.20169	12.2
283.06113	8.1
284.06451	4.4
293.21280	23.9
294.21722	2.6
311.05545	7.3
312.06021	10.1
339.12546	7.0
367.11832	67.0
368.12186	9.8
371.11301	31.1
372.11990	6.8
384.14304	4.8
385.15356	15.6
397.13589	20.4
411.12894	4.0
414.08990	4.3
415.14542	14.8
431.09766	17.7
432.10654	26.3
469.18649	63.9
469.25256	3.7
470.18961	10.2
529.17212	12.5
533.16241	2.6
534.17474	24.9
628.24628	25.0
629.25903	2.5
639.33264	2.2
691.32648	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	691.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	35.3
67.01893	0.4
70.97105	0.9
71.01373	0.5
80.63436	0.3
81.03460	0.5
81.48979	0.3
89.03961	0.8
95.01366	0.6
96.96001	0.4
105.03470	0.9
107.05020	1.5
108.02169	1.3
109.02955	2.0
110.00120	0.3
111.00880	1.3
115.05523	0.5
119.05057	0.3
121.02940	1.4
122.03759	0.5
123.00838	1.4
123.04530	1.0
124.01657	1.0
125.02448	0.5
128.47876	0.3
131.05029	1.3
133.02959	3.1
133.06596	1.3
134.03761	0.3
135.04507	1.0
136.01675	1.6
137.02443	3.9
137.06081	0.4
138.03270	0.7
143.05005	0.7
145.02911	0.3
146.03725	0.6
147.04482	0.6
149.02426	3.5
149.06071	0.9
150.03186	0.9
151.00322	0.7
151.03998	1.7
152.01131	0.8
153.01950	0.3
159.04539	2.0
161.02426	0.8
161.06104	1.5
162.03227	0.7
163.03999	1.6
165.01884	1.0
166.02696	0.3
175.03978	1.3
176.04759	0.4
177.01929	6.1
177.05536	4.1
178.02617	0.9
179.03415	1.0
187.03992	3.6
188.04689	0.7
189.01912	0.4
189.05582	0.6
190.02715	1.3
191.03497	1.1
191.07175	0.5
193.08617	0.3
201.09003	0.3
202.02682	1.0
203.03444	1.4
203.07205	0.4
205.05037	5.8
206.05710	0.4
231.10303	0.6
252.08189	0.4
267.06714	0.5
297.07587	0.5
299.09305	0.4
299.12662	0.5
308.07022	0.3
313.07071	0.6
327.08691	0.7
327.12372	0.8
329.10233	0.4
341.06540	1.0
341.10352	0.8
342.10818	0.4
343.11871	2.0
353.10205	0.4
355.08136	1.2
356.09033	0.8
357.13287	1.4
371.11319	100.0
372.11737	13.1
373.12677	0.7
385.12943	5.3
386.13416	0.6
397.16489	1.0
413.12393	8.5
414.12723	1.0
469.18628	40.8
470.18915	5.4
532.40710	0.3
533.17175	0.3
534.17249	1.9
535.18256	0.5
606.29785	0.3
666.63446	0.3
716.50708	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	691.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.4
57.76598	0.2
59.01373	2.2
60.12529	0.2
68.99806	0.3
70.92449	0.3
70.92780	0.4
71.01370	0.7
73.02931	0.2
74.58865	0.2
81.03447	0.7
83.01379	0.4
83.05044	0.3
84.30869	0.2
89.03973	0.7
91.32150	0.2
95.01366	1.2
95.05021	0.4
99.04498	1.0
101.02423	0.2
105.03456	0.7
107.01364	0.6
107.05038	1.0
108.02169	1.3
109.02946	2.0
109.99998	0.2
111.00890	1.4
117.03410	0.3
119.05024	0.6
121.02962	1.5
121.06667	0.2
122.03695	0.4
123.00856	2.6
123.04527	1.2
124.01660	5.4
125.02466	1.7
131.05011	0.7
133.02956	2.8
133.06567	0.6
134.03725	0.3
135.04507	1.0
136.01665	0.9
137.02438	19.5
138.03235	10.6
139.03555	0.3
143.05016	0.2
145.02928	0.3
146.03725	0.4
147.04509	0.6
149.02440	3.1
149.06090	0.6
150.03224	3.0
151.00352	1.8
151.04010	2.6
152.01146	15.7
153.01711	0.8
158.03706	0.3
159.04478	1.6
160.05260	0.3
161.02455	1.4
161.06036	0.9
162.03192	0.4
163.03989	4.9
163.11243	0.3
164.01161	0.9
165.01888	1.2
166.02713	1.5
171.04465	0.3
173.02443	0.9
173.06059	0.4
174.01743	0.3
174.03088	0.4
174.06868	0.3
175.04050	1.3
176.04729	0.5
177.01920	8.7
177.05527	2.7
178.02698	9.0
179.03484	11.2
180.04166	1.3
187.03978	1.9
189.05426	0.3
190.02681	0.6
191.03407	1.2
193.04950	0.7
201.11288	1.7
202.02661	1.1
202.06366	2.5
202.08076	0.4
203.03380	1.5
204.04207	0.4
205.03271	0.4
205.05048	3.5
206.05803	3.3
209.11813	7.9
210.12056	0.4
219.06598	0.3
220.07399	0.9
227.12825	0.8
253.09274	0.5
269.08051	0.2
271.06064	0.2
284.56277	0.3
298.08636	0.2
299.12939	0.4
301.10974	0.3
308.06796	0.3
311.05801	0.3
313.07245	0.9
326.07837	0.7
327.08594	0.6
327.12369	0.5
329.10300	0.8
341.06595	0.9
342.11035	0.5
343.11700	1.8
353.10248	0.4
355.08167	0.9
356.08905	1.0
357.09689	0.6
371.11316	100.0
372.12039	75.7
373.12491	7.0
385.09045	1.1
385.13257	2.6
405.17465	0.4
413.12479	0.6
445.20959	0.3
451.17719	1.7
457.96606	0.2
469.18616	11.5
470.18936	1.8
511.19904	0.4
533.16980	0.4
534.17365	1.6
688.49341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01158	0.3
59.01377	3.0
61.98812	0.4
62.94644	0.3
67.01891	0.5
69.26316	2.9
70.11732	0.3
71.01368	0.9
81.03452	0.5
83.05022	0.4
85.02972	0.4
85.62645	0.4
89.02441	0.7
89.03941	0.4
92.90625	0.4
95.01388	0.6
97.06569	0.6
101.02451	0.4
105.03449	0.7
107.01339	0.3
107.05024	1.1
108.02175	0.8
109.02951	2.0
111.00873	1.0
115.05579	0.4
121.02957	1.4
122.03755	0.6
123.00867	2.9
123.04512	1.2
124.01664	5.6
131.05032	0.7
133.02956	2.8
133.06563	0.8
135.00807	0.4
135.04494	1.2
136.01646	0.9
137.02435	18.0
137.06065	0.4
138.03242	9.5
139.03519	0.4
145.02972	0.7
146.03769	0.4
147.04445	0.5
149.02391	3.3
149.06056	1.1
150.03223	3.3
151.00407	1.9
151.04001	3.3
152.01146	15.7
153.01711	0.6
159.04507	1.8
161.02464	1.1
161.06059	0.8
162.03302	0.4
163.03992	4.3
164.01158	0.8
165.01894	1.0
166.02675	1.3
173.02480	2.0
173.03841	0.4
173.04425	0.4
173.05968	0.4
174.03265	0.5
174.06819	0.8
175.03996	1.7
176.04701	0.6
177.01927	7.3
177.05534	3.5
178.02701	7.4
179.03497	8.8
180.04147	1.3
187.04010	3.3
190.02707	1.1
191.03459	0.8
199.78969	0.4
201.11353	0.7
202.02707	1.0
202.06331	5.9
203.03577	1.1
203.07018	0.7
204.04251	0.6
205.05064	3.9
206.05791	2.9
209.11766	3.8
220.07327	0.6
227.12810	0.6
253.09102	0.4
265.05127	0.4
289.07208	0.4
313.07205	0.5
326.07666	0.7
327.08759	0.5
327.12427	0.6
328.08917	0.5
329.10449	0.4
341.06723	1.0
343.11642	2.0
355.08200	1.4
356.09006	1.0
357.09702	0.7
371.11322	100.0
372.12036	67.2
373.12482	6.9
377.50925	0.3
385.12927	1.2
405.17114	0.7
413.12326	1.4
421.16321	0.5
423.17947	0.5
451.17569	3.9
468.18365	0.4
469.18622	10.1
470.18869	1.4
482.86179	0.3
511.06085	0.4
534.17285	1.1
626.22833	0.4
631.24091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35198	0.4
54.72784	0.3
57.03451	2.9
57.84107	0.4
58.02974	0.7
59.01368	1.7
61.76413	0.4
69.03470	0.6
69.17477	3.9
69.75684	0.4
70.62656	0.4
71.01376	1.5
73.02959	0.3
79.72453	0.3
81.03455	2.9
83.01379	3.4
83.05074	0.4
83.28519	0.3
85.02959	1.2
89.02451	1.0
93.03454	1.7
95.01388	0.9
95.05032	3.2
96.96004	1.6
97.02946	5.7
98.19881	0.8
101.02460	0.6
105.03422	0.5
107.05057	0.5
107.71825	0.4
108.02176	1.1
108.27040	0.4
109.02952	23.8
110.03278	0.6
113.02437	1.0
119.03533	0.4
119.23687	0.4
121.02959	3.3
122.03767	0.7
123.00915	0.5
123.03621	0.8
123.04521	16.1
124.04856	0.5
125.02444	15.9
125.06104	0.8
134.03763	0.8
135.04538	2.6
137.02443	10.2
138.03223	0.8
139.03996	3.2
145.02946	1.1
146.03699	0.8
147.04543	0.7
149.02438	3.9
149.04578	0.6
150.03220	1.2
151.04007	7.9
152.04375	0.5
157.06630	0.7
158.03801	0.5
159.04506	2.7
160.05238	1.8
161.02423	1.5
161.04665	0.8
161.06071	5.4
162.03206	2.1
163.04019	1.6
164.01144	3.2
164.07216	0.7
165.01935	3.9
166.02606	0.5
167.03506	2.3
173.06042	0.9
174.03221	0.9
175.04002	2.4
175.07553	1.8
177.05640	0.4
178.02672	0.7
179.03474	6.4
183.10245	5.9
185.06085	0.9
187.04015	5.1
188.04799	4.4
191.03754	0.5
191.05614	1.2
193.05072	1.3
199.07507	0.8
201.05598	0.9
202.06334	2.5
203.07138	12.9
204.07375	1.0
205.05026	7.5
206.08215	2.4
216.83020	0.4
217.08749	0.4
221.08223	3.3
227.07100	2.5
230.05820	1.1
231.02885	0.5
245.08170	16.9
245.10695	0.8
246.08499	1.4
247.06114	0.8
269.10297	0.5
271.06018	1.1
289.07172	100.0
290.07504	8.5
401.14435	2.1
440.41830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
62.18561	0.3
64.95782	0.3
66.51835	0.3
67.01905	0.4
69.93769	1.2
71.01389	0.8
76.29122	0.3
78.55233	0.3
83.05010	0.4
85.02948	6.0
87.00872	1.5
93.03462	4.8
96.96027	0.4
100.40923	0.3
109.02952	0.7
111.04525	1.7
117.03553	0.4
119.05029	32.2
120.05354	1.1
127.03989	2.1
135.04533	2.1
137.02455	0.5
155.03505	1.4
161.02470	1.4
161.81006	0.3
163.04008	55.0
164.04388	2.3
171.02917	0.5
173.04549	6.5
179.03513	2.2
191.05618	100.0
192.05995	3.1
209.19252	0.3
260.88339	0.3
325.09308	0.9
337.09268	25.7
338.09628	2.2
353.08752	14.6
354.09122	1.4
443.37860	0.3
691.19855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96714	0.2
57.03448	36.2
58.03776	0.5
59.01381	10.6
61.98835	0.4
67.01904	0.4
69.03471	0.6
69.17077	0.7
69.17490	1.8
71.01385	0.4
77.79401	0.2
81.03461	2.3
83.01386	0.4
84.02170	6.6
84.02653	0.5
85.02979	0.8
93.03439	1.1
95.01393	0.4
96.96007	0.9
97.02969	0.7
99.04520	38.1
100.04835	1.1
101.02444	7.8
101.20739	0.2
103.05549	0.3
107.05022	0.3
108.02177	9.5
109.02974	2.5
117.07108	0.3
119.05019	0.7
121.02960	7.8
121.06559	0.2
122.03798	0.6
123.00922	0.4
123.04531	0.7
125.02448	27.6
126.02789	1.0
126.90422	0.4
131.05060	0.7
133.02963	0.3
133.06715	0.3
134.03745	0.7
135.04520	0.7
136.01657	5.9
136.05246	0.3
137.02469	4.0
143.03511	0.8
143.05063	0.4
145.02980	0.6
146.03758	0.3
147.04498	1.9
147.08151	0.3
148.05309	0.6
149.02455	1.0
149.06053	0.6
150.03230	1.6
151.04013	0.7
159.04576	0.3
161.02428	1.3
161.04768	0.3
161.06093	2.5
162.03203	1.2
162.06877	2.1
163.03992	2.0
163.07663	1.9
164.04808	0.4
165.01926	2.9
171.04495	0.5
172.05354	0.2
173.06079	0.7
174.03194	0.5
175.03989	4.4
176.04762	1.5
177.05553	0.8
178.02698	0.4
179.03511	0.4
181.05011	0.2
182.02245	0.7
187.04019	0.7
188.04744	0.5
189.05594	2.2
190.06349	5.4
191.03485	2.0
191.07141	3.2
192.07521	0.3
193.05061	0.9
201.05696	0.4
202.06360	0.7
204.04308	2.3
205.05005	0.8
205.08705	1.4
209.11925	0.2
216.04283	0.4
217.08691	0.5
219.06638	4.8
220.07347	2.0
234.05305	0.4
235.09691	2.3
279.06610	0.4
282.09290	0.3
284.10522	0.4
294.08954	0.3
298.12143	0.3
299.12814	0.8
312.10001	0.5
327.12360	2.5
328.12677	0.3
337.10849	0.3
339.12350	0.6
352.09457	0.3
355.11868	2.6
356.12625	5.7
357.13272	1.4
385.12912	100.0
386.13242	11.1
396.90585	0.2
590.19147	0.2
647.22998	0.3
673.42816	0.3
691.22723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17014	0.5
53.63598	0.4
53.94539	0.4
54.06477	0.5
59.01390	1.2
59.34733	0.4
63.54541	0.4
66.27557	0.5
67.01888	0.5
71.01385	0.8
71.02718	1.1
81.03441	0.6
82.04063	0.5
83.05019	0.5
85.02949	7.3
85.68468	0.5
87.00882	1.5
93.03457	4.5
96.96005	0.6
109.02935	0.9
111.04501	4.0
119.05024	58.2
120.05366	1.8
125.57260	0.5
127.04005	1.6
135.04535	2.3
137.02423	0.6
137.91731	0.5
145.02971	0.8
155.03542	2.6
163.04004	98.8
164.04340	5.3
171.03026	0.5
173.04546	9.0
179.03467	1.4
191.05603	100.0
192.05981	4.4
229.12952	0.6
269.06998	0.6
302.63397	0.6
319.43674	0.5
337.09259	64.1
338.09659	5.8
353.08765	6.7
354.09161	0.7
396.18936	0.4
474.27731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
61.98799	0.3
65.00314	0.9
71.54446	0.4
82.80161	0.3
83.01381	0.5
83.53433	0.3
85.02942	0.5
93.03476	0.4
107.01375	1.6
108.02187	0.4
109.02943	1.5
111.00871	0.4
114.50485	0.3
115.11607	0.3
121.02938	1.6
125.02414	0.7
135.00876	0.6
135.74731	0.4
148.01637	0.9
149.02368	0.6
151.00360	9.0
152.00768	0.5
161.02412	0.3
163.00388	2.2
169.01346	0.5
172.78893	0.3
178.99869	4.7
179.07085	0.3
187.03929	0.4
191.05609	0.8
211.03925	0.8
215.03516	0.5
226.02802	0.4
227.03468	1.6
229.05008	0.6
239.03583	0.4
243.02983	3.3
245.04478	1.3
254.02165	1.0
255.02966	12.9
256.03409	1.2
263.02844	0.3
271.02463	25.6
272.02979	2.4
273.04034	1.2
283.02557	1.5
299.01996	0.5
300.02734	52.9
301.03485	41.5
302.03912	2.8
302.58173	0.3
447.09293	100.0
448.09634	11.0
591.51563	0.3
651.46106	0.3
689.20087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
60.99314	0.4
61.98828	11.0
70.65321	0.7
71.01321	0.4
73.02951	0.6
77.28474	0.4
82.46661	0.3
85.98770	0.3
86.21335	0.4
88.98801	2.4
96.61863	0.3
151.04053	0.3
174.81102	0.4
195.76236	0.4
281.29266	0.4
437.12216	0.7
438.13022	0.6
451.14130	0.9
452.15039	1.9
479.17627	0.6
480.14047	0.7
481.15033	5.5
482.15402	1.3
484.13562	0.5
493.15140	1.0
494.15808	0.7
495.16693	11.5
496.17059	2.9
498.16470	0.8
507.16547	0.4
508.17676	1.7
509.18167	1.2
512.13324	0.8
521.14508	1.0
523.16058	0.6
526.15210	0.5
533.17371	0.5
535.16241	1.0
536.17175	1.7
537.16809	0.5
539.15479	0.5
540.16754	3.1
541.16840	0.5
551.19373	27.3
552.19641	8.4
553.17944	0.5
554.19421	2.4
555.18903	1.1
567.18262	0.5
568.16211	0.6
569.16064	0.4
572.15472	2.1
573.15448	0.7
586.17041	2.5
587.17200	0.5
595.18427	3.3
596.18085	0.6
627.20941	100.0
628.21185	27.1
629.21338	0.8
630.21277	3.4
631.21558	0.5
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
53.04350	0.4
57.03452	0.5
59.01377	15.4
60.45446	0.4
60.99302	1.5
67.01890	5.1
67.48835	0.4
69.03438	1.9
69.47394	2.8
71.01385	3.1
73.02945	1.0
81.03448	1.0
83.01382	0.5
83.05016	0.8
85.02940	5.2
87.00879	6.4
88.13140	0.3
93.03455	29.9
94.03767	0.7
99.00916	0.6
99.04531	0.6
101.02432	1.6
109.02943	1.1
111.04511	4.3
113.02454	0.9
117.03460	1.0
120.52345	0.4
125.02486	0.5
127.04023	1.7
134.03725	10.4
137.02457	1.3
149.06036	0.6
155.03499	0.8
161.04552	0.7
173.04538	25.0
174.04872	1.0
175.03864	0.5
191.05600	100.0
192.05968	4.4
193.05057	7.6
203.13838	0.4
206.08209	0.5
234.16051	0.4
235.11943	3.0
277.12949	1.4
305.70590	0.4
367.10312	43.9
368.10709	4.0
398.76859	0.5
620.19348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
57.03444	0.9
59.01369	2.8
61.54245	0.7
61.98838	10.8
63.40167	0.7
68.99823	0.8
69.27715	3.8
69.28136	2.5
71.01372	2.0
73.02944	1.0
73.69022	0.7
73.99542	0.7
77.17963	0.7
81.03465	5.2
83.01385	6.7
85.02963	8.0
86.55678	0.7
87.00869	0.8
89.02431	1.5
93.03456	3.4
95.01377	1.1
95.02722	0.7
95.05041	7.6
95.68433	0.7
96.96032	1.7
97.02940	2.6
98.19930	1.4
99.04522	2.7
101.02455	0.8
103.94128	0.8
105.03465	0.9
107.05044	1.6
108.02172	2.0
109.02940	3.5
111.00854	1.0
113.02425	1.0
114.98571	2.7
121.02954	3.3
122.03783	0.9
123.00871	1.0
123.04533	11.1
123.99854	1.3
125.00683	1.3
125.02456	11.9
126.98566	4.1
129.01917	2.1
133.02975	1.8
135.00862	0.9
135.04515	2.1
136.01642	1.0
137.02470	7.2
137.06087	10.8
139.02272	1.2
139.03996	5.7
141.00166	1.2
141.05640	0.8
147.04524	1.0
149.02414	2.5
149.46678	0.8
150.03214	2.2
150.06874	1.1
151.00377	0.7
151.04012	5.9
155.03418	1.3
156.99634	7.0
158.88737	0.9
161.02429	2.6
162.03192	1.5
163.00357	1.3
163.03992	6.0
165.01918	8.6
165.05653	3.7
166.02618	1.6
166.98154	0.8
167.01802	2.7
167.03502	53.9
168.03807	1.3
168.99632	3.1
176.36267	0.8
177.01910	3.2
178.02579	0.7
179.03497	13.6
180.04192	1.7
180.99622	1.6
181.05048	2.7
181.08725	0.8
182.00420	1.5
183.01202	8.5
187.00597	1.2
191.01883	1.5
191.03488	2.4
191.05618	1.3
193.01372	1.5
193.05096	3.9
195.01196	5.6
195.02954	1.4
196.99101	1.1
197.04526	2.1
197.99858	1.0
199.00716	2.5
203.03525	1.8
205.01408	9.2
205.05063	1.3
206.02129	3.4
207.03004	9.9
209.04553	78.7
210.04878	3.7
211.00708	22.8
219.02998	1.0
221.04561	4.6
227.00137	1.1
233.04509	1.2
235.02484	2.4
239.00220	45.7
239.05583	29.1
240.00529	2.4
240.06029	1.4
241.01778	7.4
251.00188	3.4
251.05553	1.2
253.01779	1.4
269.01138	4.2
271.02832	2.8
281.06668	1.2
299.02243	2.8
311.07623	3.2
315.05243	0.8
325.05673	5.8
329.08789	25.7
330.09262	1.3
331.05011	9.1
341.03244	3.0
345.93246	0.8
359.04404	100.0
360.04770	7.7
361.06110	6.3
449.05261	3.7
533.17090	0.9
551.08466	1.2
569.09784	11.9
570.10474	1.1
671.12708	1.0
688.40015	2.1
689.14069	11.8
690.14221	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	688.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.6
61.98833	2.7
65.00319	1.2
66.45522	0.4
71.01405	0.5
71.54392	0.5
71.54772	0.6
82.99454	0.4
83.01395	0.8
85.02975	1.0
87.00875	0.4
93.03474	0.7
107.01386	1.5
108.02215	1.0
109.02982	0.5
121.02949	0.9
123.04482	0.6
125.02402	0.5
131.03482	0.5
136.01794	0.5
148.01659	0.7
151.00366	6.7
152.00952	0.5
163.00443	1.0
167.03502	1.1
169.01447	0.4
173.00908	0.4
178.99890	3.9
183.10217	0.9
191.05646	0.5
206.08176	0.8
216.04135	0.7
226.02731	1.5
227.03468	1.8
243.02972	8.7
244.03549	0.5
254.02203	2.2
255.02995	24.1
256.03372	1.5
271.02472	51.1
272.02963	5.4
273.03955	0.5
299.02078	3.2
300.02747	100.0
301.03308	13.8
326.65509	0.4
341.08914	0.5
357.15408	0.5
445.07626	0.6
472.13290	0.4
525.15137	0.5
528.89410	0.5
625.14099	94.3
626.14539	15.6
643.48676	0.6
660.36426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78848	0.3
53.03392	0.3
57.03453	1.0
59.01383	1.7
61.98833	4.8
69.72432	1.0
71.00775	0.3
71.01385	1.6
71.05037	0.5
73.02959	0.6
74.51498	0.3
83.01392	0.4
85.02950	3.0
87.00873	0.6
87.04534	0.5
89.02448	0.6
93.03448	0.3
96.96014	1.2
97.03000	0.3
97.06568	0.3
99.04540	0.6
101.02439	0.9
108.02174	0.3
111.00920	0.6
111.08169	0.3
113.02450	0.6
119.05000	0.3
121.03005	0.5
123.04512	0.5
123.08170	1.3
125.02448	0.7
129.01939	0.5
131.98303	0.3
132.80919	0.3
134.03757	0.4
135.04562	0.5
135.08167	0.8
136.05309	0.7
137.02446	0.4
137.06075	0.6
137.09703	0.7
139.07593	0.3
139.11304	0.4
141.09247	0.3
149.06085	4.0
149.09772	0.6
150.06865	38.0
151.04147	0.3
151.07179	2.0
153.09204	0.4
155.10828	0.6
157.12340	0.6
161.09723	0.7
162.06865	0.7
163.07651	7.8
164.08435	7.3
165.09027	0.4
167.03540	0.7
167.96539	0.3
173.04578	0.4
176.08469	0.6
177.09201	1.1
178.09988	1.6
179.05696	0.3
179.10773	17.7
180.11142	0.9
183.10283	0.8
191.01955	0.4
193.05112	0.5
193.08736	0.4
201.11302	0.4
203.72415	0.3
306.18433	0.4
321.20676	0.4
329.14148	0.5
343.24866	1.1
345.22781	4.6
349.23898	0.3
446.30298	0.7
461.32895	0.8
464.31351	5.1
465.31671	1.3
478.33096	0.8
479.33749	7.8
480.34314	1.1
506.32651	1.5
507.33167	2.7
509.34622	0.3
524.33606	3.0
525.34308	28.5
526.34735	4.7
563.93835	0.3
594.81830	0.4
607.29590	0.5
669.75598	0.3
687.39563	100.0
688.39923	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	687.336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	21.7
61.98843	37.9
62.72833	8.4
71.01389	18.0
71.53676	11.2
101.02441	16.7
104.26474	6.7
115.04567	6.7
120.11397	7.1
123.53824	7.2
200.08815	7.8
253.21683	40.1
361.13864	7.2
397.13538	100.0
414.37506	6.9
415.14438	23.7
572.46582	7.8
651.35785	18.1
687.33209	76.4
688.33813	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	687.3963
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
57.03450	0.8
59.01379	2.2
61.98836	3.2
69.19476	3.3
71.01382	1.3
73.02962	0.4
75.00392	0.3
85.02945	3.0
87.00885	0.3
87.04530	0.4
89.02444	0.5
90.29913	0.3
96.96015	0.9
98.19904	0.5
99.04481	0.7
99.83996	0.3
101.02457	0.9
109.02950	0.5
111.04507	0.4
111.08121	0.4
113.02460	0.4
113.06110	0.3
118.97998	0.4
121.02913	0.4
123.04497	0.7
123.08142	0.4
125.02435	0.4
129.01941	0.8
135.04471	0.4
135.08150	0.6
136.05243	0.3
139.11360	0.4
149.06082	4.0
149.09755	0.4
150.06862	36.5
151.07176	1.8
155.10741	0.4
157.12294	0.7
161.02367	0.4
161.09714	0.5
162.06889	0.6
163.07646	7.0
164.08435	6.7
176.08476	0.6
177.09123	0.8
178.09976	2.6
179.10776	15.8
180.11075	1.0
183.10210	0.7
249.73708	0.4
315.71155	0.3
321.20721	0.5
331.79434	0.5
343.24860	1.0
345.22845	4.3
346.23065	0.4
385.95169	0.4
446.30118	0.6
461.32764	0.6
464.31403	4.8
465.31641	0.8
478.33273	0.8
479.33774	8.3
480.33997	0.9
506.32434	1.9
507.33270	2.7
508.34305	0.4
524.33582	2.8
525.34290	25.7
526.34656	3.8
607.28784	0.4
687.39575	100.0
688.39923	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	687.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88353	0.4
54.33759	0.5
57.03437	1.2
59.01382	100.0
60.01726	0.9
65.84150	0.5
69.87081	1.0
69.87487	1.8
71.01387	9.2
73.02951	11.7
80.11246	0.4
83.01376	3.3
85.02959	6.4
85.53215	0.4
87.00872	0.7
87.04501	0.5
89.02451	0.8
90.18073	0.4
92.34500	0.4
95.01383	1.0
97.02972	0.9
99.00900	1.5
101.02446	10.8
111.00948	0.6
113.02453	5.6
121.75275	0.5
125.02515	0.5
129.01965	0.9
129.09233	1.3
137.02420	0.6
141.01941	0.5
145.63319	0.5
151.04027	0.5
159.03023	1.9
161.04578	5.4
179.03471	0.5
191.05586	1.4
193.05147	0.8
203.12872	9.1
206.08174	0.7
207.08604	0.4
221.04607	2.0
225.04077	0.8
235.11877	16.5
241.91969	0.5
251.11365	0.6
257.78531	0.6
277.02057	0.5
277.12912	12.2
289.07224	1.3
305.16162	1.0
317.00403	0.5
321.07852	0.4
321.11942	0.9
332.99243	0.4
341.08899	2.8
347.17178	0.5
365.18173	37.7
366.18503	2.8
367.10324	0.6
455.91721	0.5
623.91956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51961	0.2
57.03453	6.6
59.01384	1.9
69.63330	0.6
69.63741	0.8
71.01385	0.7
73.02950	2.0
83.05027	4.0
85.02955	5.9
85.06593	1.7
87.04485	0.3
95.05018	0.3
97.06604	0.5
98.03724	0.3
98.20608	0.5
99.04520	1.0
99.08164	1.8
108.74739	0.2
109.06594	0.4
113.06084	0.4
123.08186	1.6
125.44414	0.2
135.08150	0.7
137.09747	1.8
139.07668	0.6
139.11273	1.6
144.20206	0.2
149.09711	1.8
151.11255	1.8
155.10765	1.9
163.11298	2.8
165.12814	1.4
167.14455	0.6
169.12347	7.0
177.12875	1.6
178.99825	0.5
179.10777	0.7
181.12294	0.5
184.16911	0.2
193.12375	0.4
195.13913	100.0
196.14258	6.3
209.15500	0.9
213.14957	0.9
237.14934	1.0
255.16042	11.2
256.16324	0.5
257.13910	1.3
299.15002	11.8
300.15308	1.1
519.14307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23773	0.1
57.03447	0.5
58.99605	0.2
59.01382	0.6
65.00314	0.3
69.99787	0.6
70.68145	0.1
74.00080	0.1
74.87485	0.1
74.99074	0.2
81.03452	2.3
83.01373	1.4
93.03455	0.3
93.63436	0.2
95.01392	0.2
95.05034	0.3
99.04498	0.2
102.98593	0.9
107.01399	0.3
108.02170	0.3
118.98112	0.7
121.03059	0.2
122.74990	0.2
123.04521	21.3
124.04864	0.8
125.02438	3.7
135.04535	0.2
149.02469	0.7
150.03181	0.3
151.00336	1.2
163.00719	0.3
163.03999	0.3
165.05609	0.4
166.02766	0.2
167.03487	100.0
168.03824	4.2
173.04529	0.3
179.03540	0.2
191.03503	0.5
191.05588	1.6
195.06624	0.6
209.04575	0.8
230.47989	0.1
247.24673	0.1
290.54898	0.2
311.07770	0.3
329.08746	17.6
330.09213	1.3
337.09247	0.5
357.10184	0.3
477.13742	0.2
525.16400	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.4
59.01374	16.7
61.98818	2.1
65.00305	2.0
67.01865	4.1
68.99774	2.2
69.03465	2.0
69.24331	14.5
71.01384	11.9
73.02939	3.0
81.03439	2.8
83.01375	2.5
85.02957	7.6
87.00851	2.0
89.02419	4.6
91.01893	6.7
93.03448	3.7
95.01384	4.1
96.96011	2.9
97.02904	1.9
101.02467	6.9
107.01353	3.9
108.02148	14.4
109.02959	10.6
111.00877	12.4
113.02435	5.8
116.05083	2.7
121.02929	1.8
122.03744	2.8
123.00872	5.7
123.04520	36.1
124.01660	2.2
125.02440	12.0
129.01933	1.8
134.03714	1.6
135.04491	2.5
136.01685	10.8
137.02411	4.3
144.04520	2.0
145.02922	2.2
146.03731	28.4
147.04436	3.3
149.02420	5.4
149.04518	2.1
150.03227	25.5
151.00365	12.3
151.04001	11.1
152.01129	23.9
153.01881	4.0
161.06064	10.5
162.03149	1.9
163.03996	3.1
164.04797	23.0
165.05557	30.1
166.02696	11.3
167.03484	100.0
168.03793	5.0
173.04585	2.0
175.03865	1.9
175.07631	1.8
177.05542	1.8
179.03566	2.4
179.07126	22.8
180.04311	2.3
181.05069	11.5
186.51683	1.5
191.05579	9.4
194.02182	9.8
195.02885	3.3
195.06592	12.6
202.06378	1.7
209.04539	73.4
210.04820	4.0
229.03618	1.9
239.05547	10.2
241.14386	2.4
243.09222	2.8
255.05020	3.3
269.06619	28.7
278.09488	1.6
283.15469	3.4
293.08078	1.8
294.09003	1.6
296.05283	4.8
311.07721	66.8
312.08054	5.3
323.09302	2.8
324.09955	4.5
325.10779	6.3
327.12296	4.2
329.08688	9.2
339.12326	17.7
380.93777	1.7
507.14960	22.7
508.15158	2.8
519.18671	3.6
537.19458	4.6
542.27045	1.6
563.17523	2.6
643.22046	2.0
669.21765	21.1
670.22449	3.2
687.22809	52.4
688.23401	11.5
688.34369	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	687.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
57.03451	0.6
59.01374	3.4
61.98831	0.4
63.18430	0.4
65.48338	0.4
69.60407	1.4
69.60815	0.8
71.01388	2.2
73.02948	0.8
76.59092	0.4
78.95943	0.4
79.05537	5.3
81.03458	5.2
83.01408	0.7
85.02963	2.8
93.03474	0.6
95.01389	1.3
95.05025	0.5
96.96019	0.5
99.00858	0.4
101.02459	1.0
105.03480	2.0
105.04103	0.3
108.02174	5.1
109.02964	10.4
110.03302	0.5
113.02457	0.7
121.02975	0.6
122.03737	1.0
123.00906	1.4
123.04527	85.8
124.04852	3.1
125.02436	1.4
135.04465	1.0
137.02393	0.7
137.06128	0.9
139.04012	1.5
147.04573	0.5
149.02438	21.0
150.02756	0.9
151.04021	1.5
153.01923	0.4
163.03973	0.4
165.01862	0.7
165.05573	1.0
165.71053	0.4
167.03502	18.7
168.03795	0.9
176.72221	0.4
179.03551	0.8
191.03508	0.8
193.05058	0.5
195.02994	0.8
195.13936	2.1
203.05698	0.7
209.04532	3.8
210.17531	0.4
224.44739	0.4
225.80150	0.4
237.04019	1.0
239.05617	1.7
249.03993	0.9
251.05557	0.4
253.07423	0.5
279.05142	1.4
303.10800	0.5
309.06165	0.7
313.09344	2.0
329.08783	100.0
330.09116	7.6
357.08432	1.7
399.09286	1.5
511.78500	0.4
567.13324	2.0
609.02661	0.4
630.32324	0.5
687.18420	1.4
688.18695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.38
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42035	0.4
57.03449	0.6
59.01371	2.3
59.19461	0.4
61.98816	2.0
66.65234	0.5
68.91881	0.4
71.01366	0.8
71.55003	0.5
73.02925	0.7
85.02930	1.3
87.00864	0.9
89.02427	0.5
93.03452	0.5
97.06618	0.7
101.02421	0.8
108.08180	1.6
111.08157	0.7
113.02463	0.5
119.04998	0.5
123.08160	1.0
125.02507	0.5
127.11227	0.5
135.01082	0.4
137.02393	0.7
137.09697	0.8
149.04626	0.5
149.06071	1.8
150.06853	31.9
151.07318	1.4
152.07074	0.4
155.10832	0.6
161.09718	0.5
162.06818	0.6
163.07616	5.4
164.08414	5.4
165.05507	0.4
165.09038	0.6
171.10289	0.4
175.04001	0.5
176.08441	0.9
177.09148	0.5
178.09970	2.1
179.10765	17.4
180.11101	0.7
191.05606	1.3
201.11394	0.4
225.11079	0.4
261.18445	0.5
267.07938	0.4
283.10767	0.6
288.17447	0.4
298.24619	0.6
306.18304	0.7
320.19897	0.8
321.20746	0.7
335.22580	0.6
341.23257	1.1
343.21265	4.3
364.22437	1.3
365.23462	0.5
404.19720	0.5
441.29898	0.8
459.31107	0.6
462.29703	2.1
477.32214	6.7
478.32782	0.8
480.21155	1.7
504.31107	1.0
505.31808	1.7
522.32043	2.4
523.32727	23.5
524.33356	3.7
685.38013	100.0
686.25873	3.5
686.38147	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	685.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76086	21.2
60.40127	16.2
61.98832	56.8
78.95915	24.5
94.87797	19.5
123.23957	19.4
152.99513	26.0
225.39607	21.7
255.23331	36.3
279.23309	100.0
357.69562	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	686.157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38303	0.8
57.03447	1.3
58.89510	0.8
59.01377	2.8
61.98831	79.9
68.09943	0.7
70.87631	1.4
71.01370	2.4
71.95935	0.8
76.08926	0.7
83.01394	1.2
85.02969	7.1
86.03290	0.9
89.02431	1.0
93.03477	1.4
96.96017	1.1
101.02467	0.9
107.01406	0.8
108.02219	0.7
109.02949	1.0
111.00876	1.4
120.92579	0.7
120.99717	0.9
121.02941	1.9
123.04528	0.8
125.02464	1.9
129.01933	3.0
134.03770	0.8
135.04509	1.5
137.02402	1.6
151.00395	1.6
151.03929	1.1
153.01932	0.7
161.02425	0.9
167.03464	1.0
167.05142	0.8
173.00827	1.7
175.03929	0.9
179.03462	1.2
191.01958	1.5
191.05591	1.3
199.04070	0.9
208.45023	0.7
224.67989	0.7
227.03474	2.8
228.71387	0.8
232.95485	0.8
237.14983	0.8
242.02182	1.3
243.02936	9.1
244.03592	1.5
251.05771	0.7
255.02966	9.5
257.04556	2.1
270.01724	1.2
271.02463	23.5
272.03036	4.4
285.04068	3.6
286.04556	1.3
287.05820	1.0
299.01978	24.0
300.02728	43.2
301.03033	2.8
301.10898	0.9
311.07877	0.8
314.04306	22.0
315.05096	55.9
316.05383	3.6
395.53528	0.9
623.16156	100.0
624.16461	15.3
685.26520	1.2
686.25769	3.8
687.24884	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
59.01380	2.6
61.98832	7.6
69.77951	0.4
71.01372	1.6
73.02956	0.6
79.95732	1.0
83.01398	0.7
83.05041	0.5
85.02957	2.8
87.00867	1.5
89.02441	0.7
93.03450	2.2
95.05013	0.9
96.96021	6.6
97.06574	0.8
98.19858	1.2
99.04536	1.0
101.02427	0.6
102.87851	0.4
109.02926	0.6
111.04512	0.7
111.08175	0.4
113.02473	0.5
114.73146	0.4
118.98064	0.5
123.04520	1.4
123.08147	1.1
125.02463	1.3
129.01959	0.7
134.03754	0.5
135.04515	2.0
135.08163	0.5
136.04909	0.4
137.02446	3.6
137.06091	0.8
139.03935	0.5
141.09233	0.6
149.02435	0.6
149.06046	1.6
150.06877	24.9
151.04053	0.7
151.07228	1.2
162.06847	1.2
163.07660	5.7
164.08440	4.7
165.05510	0.8
165.09113	0.5
167.03542	2.8
173.00795	0.5
177.09245	0.4
178.09900	1.0
179.03510	1.0
179.10786	11.9
181.05043	0.9
183.10385	0.6
187.09714	0.6
193.05023	1.0
201.11357	0.6
209.04591	2.1
215.07068	0.5
221.04402	1.1
223.06097	2.5
229.10793	1.5
230.52278	0.7
235.06067	1.6
239.05574	0.8
253.07265	0.5
265.07126	0.7
292.20050	0.4
299.18723	0.6
301.17380	0.4
320.20047	1.0
329.08670	1.2
335.22104	0.8
341.08746	1.6
341.23300	1.4
343.10498	0.9
343.21069	3.1
355.10229	1.7
364.22559	1.6
441.29877	0.9
459.31067	0.7
462.29956	1.1
476.31674	1.0
477.32120	4.9
504.30984	1.4
505.31616	2.0
522.31787	4.6
523.32758	19.4
524.32733	2.8
542.83087	0.5
599.14197	1.6
641.15271	2.5
642.16119	0.8
685.38055	100.0
686.38367	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	685.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.5
59.01377	1.9
61.92312	0.2
68.67419	0.2
69.03453	0.4
70.51522	0.7
71.01389	1.1
71.10256	0.2
73.02946	1.8
83.01412	0.3
83.05025	3.5
85.02950	6.1
85.06597	2.2
87.04530	0.3
89.02449	0.4
95.05019	0.5
96.87121	0.2
97.06576	0.4
98.03731	0.5
99.04515	1.0
99.08191	1.5
101.02415	0.3
109.06536	0.3
111.04487	0.3
111.08167	0.3
119.05025	0.4
123.08180	1.5
135.08203	0.4
137.09735	1.6
138.05562	0.5
139.07697	0.6
139.11298	1.5
149.09749	1.4
151.11287	1.4
153.09184	0.3
155.10750	1.9
163.11249	3.0
165.12892	1.2
167.14363	0.6
169.12341	7.2
170.12645	0.3
177.12859	1.4
179.10757	0.8
181.12302	0.3
195.13893	100.0
196.14244	6.1
209.15408	0.8
213.14940	1.1
219.13911	0.3
237.14929	1.0
255.16020	11.1
256.16330	0.8
257.13925	1.4
299.14999	13.1
300.15417	1.1
341.10831	0.7
342.11005	0.3
343.10651	0.5
344.50772	0.3
385.26620	0.3
426.56073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24723	0.3
57.03449	0.7
59.01376	2.5
60.31398	0.4
60.60424	0.4
61.98834	4.5
65.03971	0.4
67.01885	1.9
69.03441	1.9
69.25320	3.4
71.01378	1.6
73.02959	0.5
77.29523	0.5
80.02711	0.4
81.03003	0.5
81.03459	6.2
83.01379	9.1
85.02967	1.7
86.86167	0.4
88.63242	0.4
89.02469	0.8
93.03471	1.8
95.01398	0.6
95.05031	8.1
96.96041	0.4
97.02942	2.1
99.00918	0.4
99.04522	2.1
101.02439	1.0
103.81929	0.4
105.03447	0.4
107.05040	4.1
109.02959	1.7
109.06626	0.4
111.04493	0.6
113.02453	1.2
119.05048	0.7
121.02966	1.6
121.06596	2.5
122.03727	1.6
123.04527	12.5
125.02451	12.7
125.06087	0.6
131.05026	1.3
134.03711	0.7
135.04520	1.8
137.02452	1.7
137.06076	9.8
138.06485	0.5
139.04005	2.6
141.05611	0.6
145.06607	0.5
147.04515	1.6
147.08116	0.5
148.05251	0.6
149.02483	1.8
149.06094	7.2
150.06868	2.7
151.00415	0.6
151.04007	8.7
153.05536	0.9
155.03467	0.4
161.02405	0.4
161.06075	0.5
163.03984	1.6
163.07599	2.1
165.01929	1.1
165.05577	5.6
167.03493	35.2
168.03860	1.5
173.06050	0.7
175.03996	0.8
175.07672	0.5
176.04819	0.8
177.02057	0.6
177.05531	0.9
179.03523	4.4
179.10750	0.6
180.04228	0.6
181.05066	3.2
189.01947	0.4
191.03546	1.2
191.05484	0.9
191.07098	4.1
193.05049	16.0
194.05463	0.7
197.04500	1.2
205.05081	3.8
207.06624	2.3
209.04549	100.0
210.04871	5.8
219.02982	0.6
219.06569	0.9
221.04539	2.0
223.06087	1.4
235.06113	74.5
236.06425	3.8
239.05606	15.7
240.05948	1.3
247.06105	1.2
251.05630	0.9
265.07181	12.6
266.07568	1.0
270.14346	0.4
280.79733	0.4
311.07718	1.7
329.08771	48.4
330.09149	3.4
337.09369	1.2
355.10330	57.6
356.10651	5.4
389.42020	0.4
523.32593	2.0
565.15826	0.8
632.06445	0.5
685.19275	1.2
685.37946	5.5
686.19061	0.5
686.38470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.03447	4.0
58.66397	1.0
59.01381	22.7
61.98544	1.6
61.98836	26.8
71.01382	23.0
71.56090	1.2
72.99319	2.7
73.02944	5.6
75.11680	1.0
81.03424	1.4
83.01379	3.7
83.29510	1.1
84.88857	1.2
85.02953	33.8
86.03278	1.7
87.00880	4.7
88.98803	5.2
89.02441	12.4
93.03452	5.8
95.01388	2.9
96.67905	1.1
96.96013	4.5
99.00855	1.8
100.71213	1.2
101.02448	11.1
109.02937	2.3
111.00880	2.8
111.04513	1.6
113.02452	10.5
117.03465	3.3
119.03479	3.8
119.04998	1.5
120.12045	1.2
121.02970	5.8
121.10219	4.3
122.03635	1.4
123.04484	2.6
125.02422	2.3
127.04025	3.5
127.40904	1.2
129.01987	6.2
131.03511	1.4
132.02138	2.0
133.02994	10.7
134.03743	4.4
135.04533	7.5
137.02454	2.8
147.04500	2.0
149.01292	2.2
149.02452	31.6
149.04517	5.2
150.03090	1.3
151.04018	1.7
152.01184	4.1
160.01659	2.9
161.02441	51.0
161.04416	5.8
162.02766	2.6
163.04024	3.4
164.04799	20.2
165.01926	1.5
165.05499	1.2
167.03508	4.1
173.04582	3.2
175.02370	1.6
175.03923	2.1
178.02905	1.2
179.03500	4.2
179.05681	1.6
179.07111	3.3
183.10265	3.4
185.11884	2.1
190.02602	1.6
191.05605	100.0
192.05939	2.1
193.01396	7.3
193.05049	5.3
194.05728	1.2
205.03482	2.9
208.03773	16.6
223.06120	69.4
224.06458	2.9
293.06802	1.2
293.10312	2.4
337.09171	10.1
345.15555	42.0
346.15781	2.9
353.09000	3.7
459.18594	2.4
477.19812	12.3
478.20151	2.0
491.19223	25.1
492.20016	2.6
509.20621	1.6
683.25555	56.8
683.36353	2.9
684.26196	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	683.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.3
59.01355	2.9
61.98835	12.0
68.87434	0.8
69.03458	1.1
71.01376	3.7
71.17088	0.9
71.53819	1.4
73.02962	1.5
74.99664	0.9
78.95904	1.4
83.05012	0.9
85.02931	1.2
87.00845	1.2
89.02436	2.0
89.91896	0.8
95.04984	1.1
97.06590	13.0
101.02444	4.3
109.03412	0.8
110.27235	1.0
113.02439	2.0
123.08163	8.9
125.09721	80.5
126.10070	2.4
138.74298	0.9
143.10756	1.0
145.05077	1.8
152.99643	1.0
161.04538	1.9
169.08675	2.6
175.44116	0.9
183.09816	0.8
187.08115	1.9
187.09741	28.3
188.10089	1.7
235.08150	1.3
253.09163	2.8
277.21713	40.0
278.22064	3.4
397.80246	1.1
405.17548	3.7
423.18594	3.1
478.05499	0.9
549.47687	1.1
683.40082	100.0
684.40387	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	683.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
58.00589	1.1
59.01378	41.9
59.72144	0.3
60.01709	0.5
63.42271	0.4
69.45202	1.3
69.45612	1.2
71.01379	30.6
72.01719	0.6
72.99307	1.9
73.02938	1.2
83.01372	1.1
85.02937	4.7
87.00875	1.7
89.02441	41.6
90.02782	0.9
91.55637	0.3
92.29344	0.3
94.52972	0.4
95.01383	1.0
97.02924	0.5
101.02439	16.4
113.02448	12.8
114.02797	0.4
117.86167	0.4
119.03493	13.5
119.04336	0.9
131.03500	1.9
143.03476	3.2
149.04510	1.4
161.04538	4.2
179.05606	14.1
191.05626	0.7
268.86395	0.4
328.13513	0.4
341.10861	100.0
342.11234	7.6
626.46722	0.4
711.40302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85343	0.4
51.69982	0.3
55.01868	0.4
57.03429	0.8
58.00579	1.6
59.01377	34.4
71.01379	28.9
71.52213	0.8
72.01703	0.5
72.99298	1.6
73.02964	0.6
78.37861	0.4
83.01380	1.0
85.02942	4.4
87.00868	1.6
89.02441	40.4
95.01391	1.4
97.02869	0.5
101.02441	14.5
102.02760	0.5
102.53670	0.4
113.02441	12.1
119.03497	13.1
131.03493	1.3
143.03467	2.5
149.04510	1.3
161.04532	3.4
179.05603	16.0
191.05574	1.1
193.12340	1.0
243.83194	0.4
314.79474	0.5
341.10858	100.0
342.11221	6.5
526.05603	0.4
558.87933	0.5
598.33698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04255	0.5
59.01397	0.9
67.01864	0.6
68.95896	0.8
69.03440	0.6
69.36250	4.7
81.03461	4.2
83.01408	2.9
85.02975	1.0
93.03457	1.2
95.05036	7.0
97.02960	1.8
99.04513	1.2
101.97674	0.5
103.39180	0.6
122.03719	1.1
123.04530	9.9
125.02456	10.8
135.04532	1.8
137.02440	1.1
137.06079	9.2
139.04002	1.2
141.05600	0.7
142.32944	0.6
147.04686	0.5
153.15326	0.7
155.03488	0.7
165.05574	3.3
167.03499	33.9
168.03806	1.7
173.04546	2.6
177.05586	0.7
179.03491	6.6
181.05066	2.0
191.05624	12.2
193.05096	1.7
197.04532	2.3
206.02142	0.6
209.04552	100.0
210.04886	4.8
221.04526	2.6
239.05600	19.8
240.05882	0.7
251.05591	0.8
311.07745	1.9
329.08774	51.7
330.09103	3.4
353.08691	2.8
384.80716	0.7
420.10062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25805	0.4
53.90865	0.4
57.03447	0.8
58.05331	0.5
59.01377	3.1
67.01909	0.8
71.01376	2.8
71.53725	0.5
71.54150	0.7
72.99323	0.6
73.02998	0.5
79.05525	5.9
81.03456	4.5
81.71347	0.5
83.01390	1.1
83.05000	0.5
85.02943	6.5
87.00890	0.8
93.03452	7.6
95.01379	0.8
101.02432	1.0
105.03449	1.5
108.02171	2.3
109.02948	4.9
111.04545	2.2
113.02432	0.9
115.88145	0.5
122.03719	0.8
123.04522	86.9
124.04839	2.6
124.25437	0.6
125.02463	0.9
127.04021	1.4
133.02950	0.9
134.03781	1.2
135.04529	19.9
136.04874	1.2
137.02437	1.3
147.04538	0.7
149.02440	20.4
150.02850	0.5
151.04045	0.6
151.73657	0.5
153.01891	0.9
155.03493	1.0
161.02437	2.8
163.03981	0.9
165.05608	0.6
167.03490	20.9
168.03931	0.6
173.04543	26.2
174.04897	1.1
179.03490	19.7
180.03891	0.8
183.03040	0.6
191.05603	71.9
192.05946	2.8
195.02917	0.8
199.90306	0.6
209.04562	1.4
230.83992	0.5
271.24561	0.6
297.48016	0.5
313.09320	0.6
323.13449	0.7
329.08765	100.0
330.09061	6.1
341.08890	0.8
353.08765	37.8
354.09192	3.7
683.14221	0.6
687.35168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52441	0.8
59.01379	37.3
69.11234	0.7
72.99295	4.4
77.03980	1.3
78.11269	0.7
93.03471	1.0
98.20658	2.4
99.27701	0.8
103.05543	2.3
111.36407	0.7
112.65568	0.7
117.03442	5.4
119.05003	5.1
121.02987	1.5
135.04530	1.0
147.04521	100.0
148.04889	5.5
149.02429	1.4
161.02455	1.8
163.04008	2.1
165.05568	90.5
166.05914	4.0
206.08327	0.8
207.06615	62.2
208.06996	2.8
229.29445	1.1
251.37578	0.8
268.03845	1.0
281.04550	1.2
283.06116	25.3
284.06436	2.0
293.04770	1.4
311.05612	49.1
312.05930	3.8
321.91962	0.9
323.05630	2.6
341.06610	5.8
342.06808	1.0
429.46063	0.8
431.09811	63.2
432.10159	8.2
438.68738	0.8
620.75348	1.0
676.57648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
70.96070	0.6
70.96399	0.9
71.01376	0.5
73.08293	0.4
77.45557	0.4
81.03461	4.6
83.01373	2.7
85.02944	1.3
93.03441	1.0
95.05025	6.8
97.02942	1.4
99.04524	1.5
109.02962	0.6
111.04518	0.5
121.02965	0.9
122.03761	1.4
123.04529	9.2
124.04804	0.7
125.02463	12.1
135.04507	1.6
137.02457	1.4
137.06091	8.9
139.04025	1.8
141.05627	0.9
149.06067	0.5
151.00360	0.5
153.05614	0.5
155.03461	0.8
156.33165	0.5
163.00378	0.5
163.91281	0.5
165.04231	0.7
165.05530	3.0
167.03499	35.3
168.03827	1.0
173.04510	1.7
179.03508	6.8
181.05070	1.8
191.03741	0.7
191.05609	10.9
192.05743	0.4
193.05060	1.7
197.04590	1.1
206.02174	0.9
209.04552	100.0
210.04861	4.9
221.04565	2.0
239.05614	18.4
240.05968	1.3
250.31789	0.5
251.05588	0.9
311.07748	0.9
329.08780	41.7
330.09097	2.5
353.08710	2.3
607.83160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69205	0.3
61.98829	100.0
69.60310	0.8
69.60724	1.1
71.40366	0.3
78.95901	0.4
79.52195	0.3
79.53127	0.4
103.15050	0.4
106.13826	0.4
116.92885	0.4
142.10345	0.3
161.94022	0.3
173.73483	0.4
255.23441	1.3
277.21716	2.1
279.23547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55451	0.8
57.03454	1.1
59.01382	6.3
60.99301	0.8
61.98829	3.4
62.85650	0.6
64.41598	0.6
65.74570	0.7
67.01882	2.4
69.03429	0.9
69.42777	1.5
69.43178	4.3
71.01380	4.3
74.05054	0.7
77.03969	1.1
78.50800	0.7
81.03474	0.7
85.02951	14.4
87.00858	4.7
89.02420	2.3
93.03464	13.9
94.98954	0.7
95.01319	0.7
99.04543	0.7
101.02428	1.6
105.03442	4.9
108.02145	0.8
109.02954	1.9
111.00873	1.1
111.04520	2.3
113.02447	1.5
117.03473	0.7
121.02937	1.9
123.04473	1.1
124.09846	0.7
127.03990	2.1
129.01875	1.5
129.68571	0.7
132.02150	1.6
133.02965	35.5
134.03804	8.7
135.04536	28.2
135.78343	0.7
136.04851	1.3
137.02461	6.9
139.03998	2.4
149.02415	2.0
149.04532	2.3
149.05994	0.9
150.03206	1.2
151.03951	1.4
153.01970	0.8
155.03482	1.3
159.04533	1.0
159.37642	0.7
160.01685	1.8
161.02443	29.7
162.02829	1.1
166.02649	1.5
167.03546	0.9
173.04565	11.5
173.06009	1.1
174.04897	0.9
175.04039	1.0
176.04764	1.7
177.01935	14.0
178.02737	13.3
179.03505	25.7
181.05058	2.5
183.10257	1.4
191.05615	100.0
192.05995	3.8
193.05063	11.7
209.97258	0.7
234.06937	0.7
301.03210	0.9
309.06100	1.9
349.18686	1.0
353.08740	4.4
369.09793	36.8
370.10187	3.6
417.15457	3.1
489.17725	13.2
490.18082	1.9
501.13837	0.9
507.12015	0.7
507.18594	3.5
531.15411	1.4
546.62677	0.8
549.15686	1.2
680.51093	1.6
681.23932	56.4
682.23907	9.8
709.34320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
56.71395	1.4
57.03447	6.9
59.01379	18.3
61.98842	7.6
67.01888	2.1
69.03471	2.2
69.17831	2.4
69.18247	10.2
71.01386	27.6
73.02945	10.2
74.02455	1.3
83.01397	4.4
83.05024	4.4
85.02962	16.5
87.00908	1.9
87.04522	11.4
88.98812	2.7
89.02441	14.5
91.15717	1.2
93.03458	17.6
95.01395	3.0
96.96016	2.2
97.02958	5.8
97.06577	2.4
97.30329	1.3
99.00878	1.6
99.04501	2.2
101.02444	21.5
105.03506	1.6
107.05054	2.4
107.70562	1.4
108.02186	1.6
109.02968	1.5
111.00881	4.6
111.04523	4.0
113.02454	11.2
113.06135	1.7
115.04032	1.7
119.03487	5.8
121.02972	2.5
123.04522	3.0
125.02409	3.4
129.01947	3.4
130.34096	1.2
131.03519	1.9
133.02962	14.0
134.03745	10.9
135.04530	100.0
136.01657	3.5
136.04831	5.5
137.02452	8.0
137.09756	3.6
143.03482	3.4
147.03029	1.3
149.02405	2.8
149.04601	2.6
150.03229	1.4
151.03979	4.1
153.09190	2.1
155.03510	5.0
161.02530	6.0
161.04547	21.6
162.18152	1.5
165.04146	1.4
165.12755	1.3
167.03470	2.4
173.00952	1.9
173.04553	48.7
173.06049	2.8
175.04048	1.8
177.01933	9.2
178.02763	7.7
179.03500	93.5
179.05565	8.6
180.03854	3.7
190.02647	2.0
191.02003	3.9
191.05646	11.4
192.04309	2.1
193.05063	5.3
195.03041	1.6
195.13878	5.3
199.45529	1.3
207.06601	2.4
221.06592	2.3
233.04245	1.4
237.14970	23.2
238.15352	3.2
263.07843	2.4
267.06601	1.7
281.13962	4.9
301.03552	1.6
323.09781	5.6
353.08810	4.6
369.09766	23.9
370.10074	1.7
473.59503	1.5
489.17981	1.4
507.18784	28.2
508.19141	3.6
535.14752	1.9
681.24176	33.6
682.24518	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	681.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12204	0.5
53.09562	0.4
56.31424	0.5
59.01380	5.6
61.98833	3.6
69.19160	1.6
69.19580	3.9
70.00571	0.5
71.01376	3.3
73.02959	1.6
77.03984	1.6
82.93655	0.6
83.05049	0.7
84.98829	0.6
85.02962	2.5
87.00886	1.3
87.53922	0.6
88.98808	0.8
89.02444	4.5
89.03978	1.3
93.03448	3.4
95.05016	2.9
101.02431	2.0
105.03465	12.2
106.04249	0.6
109.02935	1.5
111.00896	1.0
111.04562	0.9
113.02453	2.2
117.03435	0.7
119.03526	1.2
121.02992	3.4
123.04503	2.6
131.03493	1.7
132.02190	1.9
133.02956	81.5
134.03778	19.6
135.04529	30.5
136.01654	0.7
136.04832	1.2
137.02451	13.9
139.04041	4.6
143.03416	0.8
149.02498	1.0
149.04582	6.0
149.05791	0.9
150.03183	1.8
151.00374	0.8
151.04025	1.3
159.04520	2.3
160.01646	1.6
161.02415	6.3
161.04501	0.6
162.03030	0.7
165.01865	1.0
166.02722	1.9
171.04620	0.7
173.04559	5.1
173.05960	0.9
175.04034	1.3
176.04823	3.2
177.01923	37.3
177.05238	1.1
178.02701	36.8
179.03494	25.8
179.05316	1.0
179.05730	1.0
180.03772	1.1
181.05069	1.8
191.05600	3.8
191.07144	2.7
193.05046	30.5
194.05385	1.4
195.03011	2.1
203.03523	1.6
249.05426	0.8
260.63046	0.6
265.07178	1.0
267.06506	1.0
268.07193	0.6
295.06052	1.3
309.06073	6.8
325.10507	1.0
339.05099	1.2
369.09760	100.0
370.10138	8.8
411.11026	1.2
417.15463	2.0
501.13809	2.8
507.18549	2.1
531.15082	2.4
549.15839	5.9
550.16827	1.1
680.49921	1.2
681.20313	29.8
682.20789	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	681.2037
Annotation	6-Hydroxyluteolin 5,6,3',4'-tetramethyl eter 7-cellobioside
Peak:m/z	Relative Intensity
54.73646	1.3
57.03461	2.4
58.90208	1.3
59.01381	23.3
70.55125	2.9
70.55460	2.2
71.01389	6.5
73.02945	2.1
74.02480	4.4
85.02957	4.6
88.98795	2.5
89.02454	2.5
89.03973	2.1
93.03472	2.3
99.04511	1.6
101.02459	2.7
108.02157	3.8
109.02953	7.2
113.02460	2.4
117.03480	8.4
119.05038	1.9
120.16277	1.3
121.02959	4.8
123.04489	2.4
125.02425	4.1
131.03477	1.4
131.07141	7.8
134.03754	70.6
135.04164	2.4
136.01653	3.5
137.02437	5.5
143.05019	3.9
145.06628	1.9
146.03741	5.7
148.05392	2.4
149.02475	1.8
149.04535	4.9
149.06097	13.4
151.03981	2.6
155.05115	1.4
159.04524	33.2
160.04927	2.4
161.02484	1.6
161.04755	1.2
161.06078	36.2
162.06531	1.7
163.03999	2.3
163.07649	4.1
163.31776	1.3
165.01976	9.4
165.05539	2.7
171.04494	4.0
172.05209	2.5
173.04669	2.2
173.06076	21.4
173.08199	3.6
175.07642	7.1
176.04788	1.8
177.04082	2.4
177.05573	35.6
178.05934	2.4
179.03590	1.5
179.05545	2.9
181.05026	1.2
187.03989	5.5
189.05563	24.9
191.05804	9.5
191.07045	9.9
193.05052	100.0
194.05377	4.5
197.55179	1.4
201.05566	1.6
203.08258	4.2
219.06567	4.3
239.16550	3.7
245.09340	11.3
281.07892	2.2
283.15540	3.1
285.03964	2.4
309.07687	21.2
310.08075	1.5
321.07565	4.3
325.09286	15.6
327.08701	8.2
327.12387	3.7
334.75580	1.4
339.08636	5.9
357.09750	57.8
357.13419	2.7
358.10141	4.4
375.14423	3.6
474.21255	1.4
519.15063	72.6
520.15479	11.9
681.20349	17.3
682.21088	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	681.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.4
59.01394	1.6
61.63224	0.3
61.98830	5.7
67.01891	0.5
70.16633	0.8
71.01385	1.2
73.02972	0.6
75.71368	0.4
77.03954	2.2
81.03494	0.4
82.95297	0.3
83.01395	0.4
83.05054	0.7
85.02937	3.0
85.03321	0.3
87.00867	0.8
88.98793	0.6
89.02489	0.3
89.03982	1.0
91.05508	0.3
93.03458	4.3
94.45350	0.3
95.05029	4.2
96.95986	0.3
98.20019	0.4
101.02460	0.8
105.03465	14.0
106.03783	0.5
107.05002	0.7
108.02210	0.9
109.02958	1.4
111.00855	0.7
111.04523	2.0
116.92899	0.7
121.02953	2.8
123.04533	2.6
124.01659	1.3
125.02440	1.2
126.03226	0.5
127.04008	0.6
129.01941	0.8
132.02193	1.1
133.02962	100.0
134.03687	6.1
135.04532	34.5
136.04898	1.0
137.02443	6.0
139.04034	1.7
149.02451	0.9
150.03275	2.3
151.04021	4.6
154.04288	0.6
155.03540	2.7
156.02229	1.1
161.02473	1.0
163.03969	0.7
165.01921	0.6
167.03557	0.3
169.06503	0.4
173.04553	18.7
174.04854	0.8
175.04051	0.4
177.01935	80.9
178.02667	9.4
179.03510	8.1
179.05159	0.4
180.04102	0.6
186.03169	0.7
191.03931	0.3
191.05608	8.0
195.02914	0.4
198.03163	0.5
214.02643	0.5
226.02745	1.1
229.05101	0.7
241.01558	0.5
242.02202	4.6
243.02831	0.4
265.44406	0.4
270.01697	18.5
271.02396	2.5
271.05710	0.4
285.04010	5.5
286.04541	0.6
298.01215	2.1
299.01959	2.0
307.08331	2.0
308.09000	6.2
313.03540	16.9
314.04181	4.1
328.05887	10.6
329.06592	3.4
337.98141	0.4
351.07230	26.3
352.07883	7.4
353.08746	2.7
459.13809	0.3
680.36969	1.7
681.37250	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	681.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.5
60.99299	0.9
61.98835	3.9
67.01887	4.7
69.03455	1.1
69.23151	0.4
70.55126	0.6
70.55502	0.7
71.01379	3.9
73.02966	0.7
77.03962	1.2
81.03439	1.1
83.04998	1.0
85.02950	4.5
87.00874	4.6
89.03971	0.6
91.05509	0.5
93.03457	33.1
94.03797	1.1
95.05031	1.6
98.20637	0.4
99.04507	0.6
105.03461	6.9
107.05014	1.8
108.02158	1.4
109.02952	8.7
111.00870	0.8
111.03823	0.6
111.04523	5.7
113.02461	0.6
117.03458	0.8
121.02956	1.6
122.03731	0.6
123.04522	4.1
123.69572	0.4
124.01663	2.0
125.02436	1.6
126.03271	0.5
127.03982	1.5
129.01938	0.9
132.02219	0.7
133.02956	50.8
134.00092	0.4
134.03827	3.5
135.04523	42.2
136.04866	1.1
137.02444	5.9
139.03993	1.1
149.02435	1.8
150.03221	5.4
151.03990	4.9
153.01898	0.6
154.04193	1.0
155.03502	3.0
156.02185	1.8
157.05078	0.8
161.02454	2.3
162.03241	0.5
164.98282	0.5
165.99133	0.5
167.03476	0.6
170.03586	0.4
173.04541	100.0
174.04883	3.7
175.03992	0.4
177.01921	26.2
178.02650	4.9
179.03491	14.2
180.04115	0.8
182.03702	0.7
185.05916	0.4
185.73373	0.4
186.03226	1.9
191.05611	42.3
192.05956	1.1
195.02927	1.9
197.04539	0.5
198.03198	1.9
204.97684	0.5
210.50507	0.4
214.02696	1.1
215.05598	29.2
216.05995	0.9
226.02745	2.8
227.03387	0.5
227.07309	0.5
229.05061	1.4
241.01387	0.5
242.02184	7.9
245.08475	0.5
254.02184	0.7
255.03018	0.9
257.00830	0.5
257.04538	1.3
270.01675	38.7
271.02271	5.5
285.04031	13.3
286.04510	0.8
290.08154	0.6
298.01212	5.5
299.01877	3.4
307.08240	8.6
308.08926	6.5
313.03522	36.9
314.04135	9.5
315.04922	0.4
328.05859	27.0
329.06546	6.8
351.07190	74.8
352.07709	13.3
353.08685	2.9
357.20767	0.4
369.09723	1.0
370.09872	1.1
489.08209	1.5
609.65417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58894	0.5
57.03444	0.9
57.48882	0.4
59.01375	2.3
60.99301	1.0
61.98837	2.9
64.89378	0.5
65.25981	0.5
67.01887	4.1
69.03437	1.3
71.01378	3.4
71.17690	1.2
73.02943	1.0
74.37061	0.5
76.20831	0.5
77.03977	0.8
77.22980	0.5
78.53994	0.5
81.03463	1.3
83.05022	1.7
85.02950	5.2
87.00866	4.6
88.98814	1.3
89.04017	0.7
92.54208	0.5
93.03458	31.0
94.03781	0.8
95.05034	1.4
96.96047	0.7
99.04459	0.4
105.03455	6.4
107.05050	1.9
108.02190	1.1
109.02947	6.7
111.04531	5.3
113.02483	0.8
117.03481	0.6
121.02973	1.5
122.03779	0.8
123.04519	3.8
124.01630	2.0
125.02447	1.7
127.04005	1.1
129.01917	0.8
132.02176	0.8
133.02954	48.2
134.03822	3.7
135.04523	39.7
136.04886	1.2
136.33139	0.6
137.02451	5.2
139.04044	1.1
149.02444	1.5
150.03197	4.6
151.03999	5.5
154.04213	1.2
155.03514	3.8
156.02179	2.7
156.42043	0.6
157.05042	1.1
161.02419	2.5
161.06100	0.5
164.98315	0.8
165.99078	0.6
170.03819	0.6
173.04541	100.0
174.04871	2.8
177.01924	24.9
178.02689	4.2
179.03482	13.9
182.03731	1.0
185.06163	0.6
186.03159	1.4
191.05606	48.1
192.05946	1.1
195.02963	2.6
198.03215	2.0
213.05510	0.6
214.02802	1.4
215.05602	30.1
216.05978	1.4
226.02698	2.2
227.07137	0.6
229.05028	1.7
242.02171	6.5
243.02788	0.7
245.08153	0.8
254.02339	0.7
255.02847	0.7
257.04510	0.8
270.01682	36.6
271.02286	4.4
285.04010	11.4
286.04471	1.2
290.07910	0.7
298.01175	3.8
299.01801	4.0
307.08182	8.2
308.09009	6.3
313.03519	37.1
314.04181	7.8
315.04901	0.8
316.36646	0.5
316.99918	0.6
328.05872	26.3
329.06537	7.2
331.74649	0.6
351.07190	72.1
352.07779	11.8
353.08719	4.8
489.08328	1.5
623.75452	0.6
680.37054	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	0.3
61.98845	0.6
65.00060	0.3
65.00355	1.3
68.78925	0.3
68.99837	0.3
70.64286	0.8
110.00085	2.4
123.04508	1.4
133.02954	3.1
133.03737	0.3
136.98807	1.4
137.02434	0.3
137.99623	1.2
143.05031	0.5
145.03004	0.3
149.99635	0.7
155.05069	0.7
159.04456	0.3
164.98296	7.2
165.99074	5.5
171.04491	0.8
173.02425	0.8
177.99109	0.7
178.99881	0.5
183.04514	2.8
199.04044	1.5
201.01968	0.8
203.03551	0.4
205.98526	0.7
211.04028	0.3
215.03505	1.9
216.04196	0.7
226.02695	0.3
227.03506	4.3
229.01419	0.9
243.02921	2.5
254.02280	0.5
255.02988	3.4
257.04556	0.3
269.04514	0.6
270.01724	0.3
271.02475	6.7
285.04077	0.3
299.01953	33.7
300.02310	2.5
313.03635	0.3
314.04315	73.5
315.04608	5.6
329.06641	100.0
330.06976	8.4
351.04678	0.3
353.18179	0.3
397.55191	0.3
426.25415	0.3
470.14557	0.3
666.09308	0.6
681.12415	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	680.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
59.01382	5.1
61.12576	0.6
65.03963	0.8
67.01888	1.3
71.01382	8.0
71.02618	0.9
73.02939	1.9
75.00849	1.4
79.88150	0.6
81.03459	0.6
83.01366	1.6
83.05035	1.6
85.02959	3.1
87.00869	2.0
89.02459	2.6
93.03460	4.0
95.01378	1.4
95.05041	0.7
97.02888	0.7
99.00874	7.2
99.04535	3.2
101.02419	4.6
107.05019	1.2
109.02934	2.0
109.96513	0.6
111.00894	0.7
113.02433	2.4
114.05614	2.9
119.05024	15.4
121.02981	4.7
122.03734	2.2
123.00884	5.8
123.04496	1.9
124.01665	7.3
125.02444	1.3
125.06051	1.0
126.05580	3.5
129.01930	0.8
131.03458	1.7
134.03705	1.6
135.04543	4.8
136.01668	5.8
137.02446	4.5
138.03246	3.1
145.02954	1.0
147.04500	2.2
149.02477	5.1
149.04547	7.6
149.05916	0.9
150.03233	16.6
150.04942	0.7
151.04012	4.9
159.03004	0.5
159.04462	1.1
161.02460	0.9
161.04507	2.3
161.05904	0.8
162.03227	0.6
163.04002	39.7
164.04816	3.9
164.07057	0.9
166.02618	0.9
173.04568	6.6
173.05956	1.0
175.03955	2.4
176.04781	3.3
177.01868	0.6
177.05565	3.8
178.02650	0.8
179.03410	0.8
185.05984	0.8
189.05553	2.4
190.06343	1.1
191.03659	1.0
191.05611	4.4
192.04219	0.6
201.05560	0.9
203.03523	0.5
203.07086	1.7
204.04257	1.0
205.07405	0.9
206.08221	3.5
207.06818	1.1
207.08931	7.0
208.09454	0.6
214.06480	0.6
215.07138	1.2
217.05043	0.9
218.05942	0.6
218.08253	1.2
220.09723	3.1
221.06613	0.7
223.12619	0.6
231.06494	1.0
233.08272	1.0
233.10461	1.7
246.11252	0.7
259.09763	0.6
260.12918	0.8
261.06094	1.9
261.09976	3.9
262.10632	0.7
272.13077	0.7
289.03897	0.6
295.08185	6.7
311.07837	0.9
331.11774	2.7
355.11874	0.7
357.13443	1.9
372.11981	1.4
373.12878	14.5
374.13165	1.5
383.14935	0.6
384.11890	0.7
385.12903	6.5
397.12622	1.1
398.13562	1.8
399.14481	10.8
400.14783	1.8
411.14471	0.9
412.15259	2.3
425.16089	1.3
436.19034	0.6
455.19550	2.9
456.20279	4.0
457.20282	0.7
460.44867	0.6
500.19449	1.1
513.91479	0.6
535.18146	10.8
536.18640	1.5
547.18109	5.0
548.18042	0.9
553.19122	7.7
554.19849	1.5
579.20782	7.5
605.24292	0.6
618.25690	1.0
636.27039	0.8
662.24298	3.2
663.25433	0.8
680.25531	100.0
681.26013	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	680.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43140	0.8
57.03439	1.2
59.01387	3.0
61.98833	100.0
63.58105	0.6
69.76382	4.2
71.01389	2.2
79.63319	0.7
84.02164	5.1
85.02948	4.3
88.98816	1.9
93.03490	2.2
96.96060	0.7
108.02173	5.2
109.02955	2.0
111.00930	0.7
119.05008	1.0
121.02984	3.2
126.90551	1.2
133.02975	2.3
135.04512	7.4
136.01631	3.6
137.02480	2.6
143.05122	1.2
147.04524	1.2
150.03276	1.1
151.03989	1.0
157.62688	0.8
159.04559	1.2
161.06099	2.1
162.03271	0.9
163.04050	1.0
163.07755	1.1
165.01974	1.4
171.04736	1.0
173.04611	2.4
175.04070	1.8
177.01962	1.1
179.03488	4.2
189.05598	2.4
190.06432	0.9
191.03880	1.3
191.05673	9.0
191.07158	1.6
193.05168	0.9
204.04401	1.9
219.06624	5.8
277.08624	0.7
295.30426	0.7
311.09387	1.8
313.04211	0.7
339.09009	2.3
340.09497	3.5
341.10345	1.2
353.08853	5.1
369.09790	73.2
370.10138	6.9
395.58112	0.9
418.10974	0.9
492.62677	0.9
679.36932	4.0
680.37933	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
71.00748	0.6
71.01376	1.0
71.64960	0.3
73.02958	0.5
85.02972	1.0
89.02457	0.3
93.03458	1.0
101.02434	0.7
113.02431	0.4
119.05027	90.7
120.05368	3.1
134.46986	0.3
135.04524	0.5
137.02498	0.4
139.51001	0.3
161.02383	0.5
161.04530	0.4
163.04012	100.0
164.04335	4.4
173.04575	0.6
179.03482	0.3
191.05634	8.7
191.07397	0.5
192.05949	0.6
212.31769	0.3
221.10229	0.7
223.80919	0.3
323.13538	0.5
324.14038	0.4
325.09271	18.5
326.09619	1.2
337.09308	1.0
341.80713	0.3
353.08783	0.8
353.14496	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03162	1.2
57.03445	21.4
58.03757	0.7
59.01381	25.1
59.09448	0.7
67.01887	1.2
69.03443	1.1
71.01380	2.0
71.20685	0.6
71.53818	1.0
73.02938	1.6
77.19187	0.6
85.02953	6.5
87.00835	0.9
93.03448	5.1
97.37068	0.6
99.04526	2.8
109.06585	15.6
111.04520	10.1
114.73629	0.6
119.05024	2.6
121.06572	1.1
123.08147	1.6
125.04433	0.6
125.06073	1.3
125.09687	0.6
135.04509	1.8
135.08160	22.5
135.69125	0.7
136.08469	0.9
137.09718	15.3
138.06853	1.9
149.04544	2.6
149.09749	4.2
153.09213	6.0
155.03371	0.6
163.04030	2.5
163.11301	10.3
167.03464	0.8
167.10757	10.8
168.10913	0.8
173.04549	15.7
174.04787	0.6
175.11298	1.9
176.69844	0.6
177.09196	27.6
178.09615	1.6
179.03452	1.8
179.10789	1.0
183.13882	0.7
186.24048	0.7
191.05598	13.1
191.10767	7.6
192.11259	0.7
193.12318	100.0
194.12650	7.1
209.11804	0.7
211.13376	45.3
212.13724	3.2
217.12358	3.2
220.10922	0.7
223.04539	1.0
235.13373	26.1
236.13692	1.5
253.14417	21.1
254.14842	1.0
255.12381	2.4
297.13385	13.3
298.13620	1.1
311.07629	0.8
337.09238	8.6
475.32172	0.7
599.25360	0.8
680.25439	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.4
68.33871	0.3
68.47645	0.3
69.42306	2.1
71.01379	3.1
73.02952	2.7
80.95094	0.2
85.02943	0.4
87.00873	1.6
89.02446	20.1
90.02796	0.4
93.03473	0.6
98.20583	0.5
101.02456	0.6
103.04013	1.4
104.31528	0.3
107.05045	0.9
111.04508	0.4
111.84943	0.3
112.82126	0.2
112.87114	0.3
117.03468	1.1
119.05031	0.5
123.04492	0.3
131.03500	5.8
133.02954	1.1
134.03749	12.4
135.04532	26.8
136.04901	1.2
149.04556	100.0
150.04883	2.4
155.03436	0.5
161.02458	2.3
163.04007	0.7
166.64079	0.3
167.03500	0.4
168.53822	0.3
173.04564	1.3
179.03500	23.4
180.03882	0.6
191.05582	1.8
193.05055	12.1
194.05495	0.4
204.97952	0.3
253.14398	0.4
279.63275	0.3
311.07739	28.3
312.08093	2.3
353.08920	0.6
367.10345	7.2
368.10565	0.8
615.34735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22126	0.2
57.03448	0.5
57.50690	0.2
59.01369	1.3
62.30628	0.2
67.01868	0.3
70.96587	0.2
70.96906	0.4
71.01381	0.5
73.31841	0.2
83.00994	0.2
85.02956	5.9
87.00871	1.1
93.03458	2.5
99.04523	0.5
109.02940	0.6
111.04510	0.7
119.05029	1.8
127.03997	1.5
128.01726	0.2
133.02957	0.4
134.03780	0.5
135.04474	1.2
135.08215	0.3
137.02478	0.2
161.02483	1.5
163.04028	2.2
173.04549	1.5
179.03462	0.8
191.05603	100.0
192.05952	3.8
193.04965	0.3
193.12270	1.1
211.13391	0.8
235.13365	0.4
253.14621	0.3
297.13684	0.3
302.71219	0.2
337.09235	1.7
353.08728	13.6
354.09137	1.3
364.09897	0.2
432.55957	0.3
491.08316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53477	0.9
57.03457	1.4
59.01380	4.2
60.99298	1.1
67.01894	3.9
71.01367	4.6
75.76739	0.9
81.03491	1.1
83.05042	1.8
85.02947	9.5
87.00876	2.1
89.02445	1.2
93.03455	25.0
97.96731	1.0
99.04482	1.1
107.05019	1.9
109.02947	1.6
111.00878	1.0
111.04509	5.1
111.94332	1.0
119.05023	18.1
127.04047	1.8
133.02972	1.1
134.03738	4.4
135.04523	64.8
136.04848	3.0
137.02440	6.8
146.62476	1.0
149.04552	4.5
155.03490	4.1
161.02473	4.2
163.03999	21.0
164.04349	1.4
166.83545	0.9
173.04543	100.0
174.04889	3.2
179.03491	65.5
180.03856	2.5
191.05606	70.5
192.05959	2.1
193.05136	1.9
193.12315	2.1
195.13876	2.6
311.07739	1.5
325.09329	1.3
326.08862	1.5
337.09296	2.2
337.14954	1.8
353.08752	86.8
354.09149	6.2
367.10474	1.4
680.25470	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	679.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.4
67.01881	3.1
69.34097	9.6
71.01377	3.9
78.19007	1.1
79.66860	1.1
81.03471	1.0
85.02941	6.3
89.02428	2.0
93.03455	24.8
107.04999	1.1
111.00877	2.1
111.04503	5.9
112.20551	0.9
119.05022	21.1
127.03971	2.7
133.02916	1.8
134.03712	5.1
135.04524	66.2
136.04828	2.8
137.02426	4.6
149.04536	5.9
155.03481	5.8
161.02437	4.7
163.03999	17.4
173.04539	100.0
174.04845	3.3
175.95331	1.0
177.90750	1.1
179.03493	69.2
180.03813	3.3
191.05602	71.0
192.05994	2.8
193.12132	1.6
195.13905	2.9
211.13380	1.5
311.07764	2.4
325.09058	1.8
326.08832	1.5
337.09045	2.1
337.15161	1.1
353.08734	94.6
354.09256	7.9
367.10245	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	677.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03438	0.9
57.45542	0.3
58.00580	1.8
58.03457	0.3
59.01378	34.6
61.98832	0.6
68.99801	0.4
69.03458	2.2
70.71713	1.0
71.01380	33.0
72.01710	0.5
72.99305	2.6
73.02946	5.6
75.00850	1.2
78.82999	0.4
81.03471	1.5
83.01379	3.9
85.02944	7.5
85.03455	0.4
87.00874	7.8
89.02441	27.3
91.03988	0.5
95.01389	2.4
97.02954	5.0
99.00882	1.5
99.04520	0.4
99.75225	0.3
101.02438	27.5
102.02776	0.5
103.04012	0.5
106.91079	0.3
109.02945	0.6
111.00883	0.5
111.04498	1.1
113.02447	13.1
115.04029	0.6
117.26561	0.3
119.03503	9.1
121.03001	0.7
124.01597	0.6
125.02445	12.6
130.46416	0.3
131.03487	1.2
133.05072	1.0
139.04012	1.0
141.01958	0.5
143.02434	0.4
143.03506	4.7
149.04512	0.7
161.04536	7.2
162.04721	0.3
167.03423	0.6
167.56061	0.3
169.05019	0.5
179.05603	5.1
185.04469	0.6
199.06110	0.6
200.55836	0.3
203.52383	0.3
217.07164	1.1
221.06625	2.4
235.08209	12.4
236.08505	0.4
245.06560	0.7
253.09320	2.8
263.07730	1.5
264.70770	0.4
277.09360	1.1
279.23273	100.0
279.85892	0.3
280.23660	7.6
287.07755	3.6
305.08771	4.0
323.09674	1.6
379.12466	1.1
397.13480	85.9
398.13846	5.8
415.14548	33.5
416.14914	2.0
426.79852	0.4
571.36200	0.3
644.94818	0.3
677.37622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47975	0.4
51.59906	0.4
55.01889	0.4
57.03450	2.0
59.01382	4.3
60.99318	1.6
61.98835	13.3
64.18774	0.4
67.01891	6.1
69.03477	1.6
71.01381	4.0
73.02960	0.4
81.03471	1.9
83.05008	1.1
85.02956	13.7
87.00884	4.6
89.02453	0.7
93.03465	35.1
94.03800	1.1
96.96020	7.7
98.19897	0.7
99.00889	0.6
99.04532	1.2
99.74281	0.4
101.02472	0.8
108.86890	0.4
109.02958	2.3
111.00864	0.6
111.04537	6.9
113.02469	1.2
119.05029	0.9
119.08675	1.1
123.04549	0.7
125.02473	1.3
127.04018	2.7
129.01947	1.1
133.02977	0.7
134.03775	1.0
135.04594	1.0
137.02460	3.2
145.03035	0.5
149.02414	0.5
151.04002	1.0
155.03557	3.1
156.10352	0.8
159.04520	2.8
161.02383	0.5
161.06036	0.8
163.04034	0.9
164.04790	0.8
165.01913	0.5
167.03545	0.5
171.03107	0.6
172.05305	0.4
173.04559	59.2
174.04916	1.4
179.03358	0.5
179.07114	0.5
185.06064	0.9
190.02831	0.6
191.05621	100.0
192.05984	3.9
193.05029	1.1
199.07729	0.6
205.05186	0.8
209.06030	0.7
211.07632	1.5
223.06151	1.2
225.09227	2.7
226.09604	0.6
239.10840	1.2
240.11549	0.7
265.12418	0.6
290.29324	0.5
298.00168	0.5
307.13339	1.1
347.54153	0.4
371.11322	2.5
396.21762	4.8
422.19873	5.7
423.19757	0.7
440.20773	12.9
441.21057	1.6
614.26056	61.3
615.26465	12.2
677.34570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34505	0.9
56.73218	1.0
57.03442	1.4
57.21082	1.0
59.01378	3.0
60.99282	1.2
61.98834	19.8
67.01884	4.0
69.03449	1.6
69.64954	1.0
69.65301	7.5
71.01376	4.2
80.59590	1.0
83.05041	1.6
85.02953	4.3
88.15530	1.1
89.02456	1.3
93.03458	26.5
95.05001	1.1
96.96059	1.4
98.19906	1.8
105.03472	2.1
109.02943	1.1
111.00871	1.3
111.04511	5.8
114.94092	1.1
116.92864	1.7
121.02922	1.8
124.14329	1.1
125.02451	1.1
129.01935	1.8
133.02965	15.1
134.03769	5.2
135.04553	2.5
137.02469	6.9
151.03995	2.0
155.03481	3.8
161.02443	1.2
168.40190	1.2
173.04549	100.0
174.04887	2.9
177.01942	5.7
178.02710	7.7
179.03476	1.9
285.09982	1.1
305.12213	1.7
331.04492	3.7
376.67444	1.1
440.20682	10.9
441.21146	1.6
501.37296	1.2
614.25977	35.1
614.36078	1.8
615.26062	5.7
657.75928	1.3
677.35065	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	677.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.7
58.97323	0.4
59.01382	2.9
59.25902	0.4
60.99325	0.5
61.98825	4.2
64.38512	0.4
65.03972	0.5
67.01890	5.6
69.03464	1.6
71.01389	5.1
71.06277	1.1
81.03459	1.4
83.05022	1.9
85.02937	2.4
87.00870	0.6
93.03459	34.3
94.03819	1.4
96.95992	0.8
107.08705	0.7
109.02948	1.1
111.00897	1.2
111.04541	6.8
114.05604	0.4
119.05016	0.5
119.08657	2.7
125.02499	0.7
127.04037	1.0
129.01968	0.7
133.06563	0.5
135.04526	0.9
137.02443	5.8
145.06586	1.2
145.10092	0.4
146.03757	0.4
147.04521	0.9
147.33379	0.4
149.02460	0.4
153.60606	0.4
155.03500	4.8
156.10332	0.8
158.03741	0.6
159.04527	9.5
160.05202	1.1
160.36728	0.5
161.06082	0.9
172.05258	1.0
173.04552	100.0
173.05875	3.9
174.04906	3.7
174.06453	0.7
175.16107	0.4
185.06090	1.1
186.06830	0.9
187.07762	1.0
191.05611	8.4
195.26132	0.5
197.06046	0.6
199.07686	1.8
201.09286	1.3
203.03552	0.9
209.06021	0.7
211.07689	1.6
213.09166	0.6
221.09744	0.6
223.07867	0.5
225.09184	3.2
226.09909	0.5
229.08714	0.4
239.10750	1.9
251.10794	0.4
265.12320	1.1
279.87161	0.4
281.15439	1.2
307.13376	3.5
370.20099	1.2
378.20837	0.5
396.21793	8.3
397.22012	1.3
440.20764	39.9
441.21179	5.6
504.25061	0.4
604.54840	0.4
614.26044	61.5
615.26379	12.4
656.61713	0.4
677.35236	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98077	0.3
57.03434	0.9
59.01384	2.6
60.99300	1.0
61.98832	27.3
65.03974	0.3
67.01891	4.7
69.03454	1.1
69.75423	1.0
69.75838	0.6
71.01381	4.2
73.02953	0.3
77.03935	0.4
77.24151	0.3
81.03473	1.1
83.05019	1.2
85.02959	1.2
87.00898	1.4
89.02444	0.3
93.03458	28.5
94.03807	0.8
96.96014	0.7
99.00867	0.4
101.02419	0.5
105.03464	1.1
109.02940	1.1
111.00895	1.3
111.04523	4.9
113.02434	0.9
118.16908	0.3
121.02937	0.5
124.28888	0.3
129.01932	0.6
133.02960	8.0
134.03746	2.7
135.04547	2.3
137.01460	0.5
137.02448	5.4
139.04036	0.8
155.03499	4.7
157.00851	0.3
173.04547	100.0
174.04890	3.2
177.01933	2.3
178.02708	6.6
179.03455	1.8
184.49866	0.3
191.05472	0.4
193.04985	0.3
258.03561	0.3
260.07318	0.4
440.20749	10.2
441.21173	1.5
443.46484	0.4
467.00659	0.3
604.69312	0.3
614.26038	29.1
615.26367	5.0
677.35260	4.2
678.35870	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
57.88795	0.5
57.99771	0.5
59.01376	3.7
60.99302	0.9
61.98832	24.4
67.01893	4.8
67.37924	0.5
69.03467	0.8
69.26637	4.8
71.01382	4.9
71.04998	0.7
81.03448	1.1
85.02956	2.7
87.00890	1.3
89.02441	1.3
93.03461	33.1
94.03783	0.7
95.15224	0.5
96.95963	0.7
99.00889	0.7
101.02435	0.8
105.03465	2.2
109.02956	0.9
111.00897	1.0
111.04536	5.2
113.02362	0.6
116.92873	0.9
121.02933	0.7
124.01642	0.6
124.76618	0.5
125.02470	0.9
127.65302	0.5
133.02951	17.6
134.03767	1.8
135.04594	0.7
137.02428	5.2
149.02408	0.7
150.03214	1.0
155.03532	4.4
163.03996	0.7
173.04546	100.0
174.04900	3.5
177.01910	6.6
178.02721	3.4
179.03519	0.9
191.05524	1.0
213.01933	0.7
215.05603	1.0
258.01672	0.6
285.00357	1.0
286.01083	1.9
300.02902	1.7
301.03357	1.0
329.03040	2.4
343.04578	1.2
344.05182	3.4
351.07181	3.3
367.66812	0.6
407.07376	0.6
427.10519	0.7
440.20804	7.6
455.21786	0.6
473.14734	1.0
548.11853	2.5
614.26019	38.0
615.26465	7.0
677.19922	0.6
677.25031	0.6
677.35364	5.1
678.36188	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	20.9
59.01371	1.2
61.98819	0.7
69.31502	0.9
69.31921	1.3
71.01371	0.5
81.03464	0.3
84.02170	1.4
85.02946	0.6
91.16055	0.3
96.96006	0.4
97.02934	0.4
99.04517	4.0
101.02447	3.8
108.02172	5.0
109.02940	2.3
115.50801	0.3
119.04995	0.5
119.40165	0.2
121.02956	4.5
122.03740	1.0
123.00890	0.6
123.04512	0.9
124.01649	0.4
125.02453	2.8
126.90434	1.3
131.05029	0.4
133.02957	0.5
134.03708	0.3
135.04515	0.8
136.01660	7.6
137.02470	4.1
137.06108	0.3
147.04512	0.6
148.05319	1.0
149.02428	1.0
150.03215	1.2
151.04025	4.6
152.04385	0.3
158.03761	1.5
159.04503	1.1
160.05251	0.4
161.02432	1.1
161.06078	0.9
162.03181	1.5
162.06914	0.5
163.03999	3.4
163.07608	0.8
164.04756	0.3
165.01917	1.8
165.05525	0.4
165.89912	0.3
171.04546	1.0
172.05367	0.5
173.06050	2.8
174.03232	0.5
175.03996	3.7
176.04785	4.4
177.01932	1.5
177.05383	0.9
179.03473	0.4
182.02267	0.3
187.04025	2.3
188.04738	4.3
189.05670	1.5
190.06279	0.9
191.03508	2.1
191.05589	0.8
191.07146	2.2
193.05077	0.5
200.04974	0.3
201.05582	0.6
202.06299	1.6
203.07094	4.0
204.04173	0.5
204.07471	0.3
205.04965	0.6
219.06602	1.9
221.08186	0.7
279.06479	0.4
280.07458	0.8
295.06171	0.4
298.08362	0.4
308.06705	1.9
309.07751	0.3
310.08514	0.3
313.10849	0.9
323.09317	1.8
326.08008	0.3
341.10263	2.7
342.11066	2.9
343.11780	0.8
353.10397	0.6
356.12665	1.5
357.09177	0.3
371.11313	100.0
372.11673	10.3
515.15558	1.0
533.16632	5.9
534.16998	0.7
575.17682	1.8
615.20917	0.4
660.64050	0.3
677.20953	2.2
677.34332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21228	0.4
57.03449	1.1
59.01379	1.7
60.99302	1.1
61.98831	31.2
67.01890	5.2
69.03459	1.3
70.86543	0.8
71.01385	3.9
81.03455	1.5
83.05029	1.1
85.02949	1.4
85.93416	0.4
87.00879	1.8
88.52052	0.4
93.03458	32.8
94.03797	0.8
97.42632	0.3
99.00876	0.5
99.04527	0.4
105.03458	1.0
109.02961	1.2
111.00883	1.0
111.04514	4.9
113.02431	0.6
121.02939	0.8
127.03997	0.6
129.01929	0.6
133.02049	0.7
133.02960	6.8
134.03754	4.7
135.04517	0.9
137.02434	5.9
137.03409	0.6
139.04018	0.5
148.94031	0.4
155.03514	4.5
173.04544	100.0
174.04871	3.9
177.01898	0.8
178.02718	9.1
179.03383	1.1
315.43604	0.4
440.20804	7.0
441.21008	0.8
614.26013	32.8
615.26361	5.6
677.35974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	26.6
59.01369	1.8
61.98835	5.1
67.01858	0.5
70.57095	1.0
70.57465	0.7
71.01369	0.8
71.79201	0.4
73.02913	0.4
77.37726	0.4
81.03453	1.7
83.01391	0.4
84.02144	1.1
85.02942	3.4
93.03452	1.1
95.01389	0.6
96.96019	0.5
97.02951	0.8
98.97089	0.4
99.04511	15.2
101.02443	6.4
105.98176	0.5
108.02175	5.5
109.02982	2.6
111.40989	0.4
119.05030	0.8
121.02992	3.0
122.03707	1.4
123.04545	2.4
124.01640	0.5
125.02445	14.5
129.28502	0.4
134.03761	0.9
135.04529	1.0
136.01656	6.1
137.02455	5.2
143.03505	0.5
143.05019	0.6
146.03636	0.8
147.04518	1.4
148.05278	2.1
149.02422	0.8
149.06032	1.5
150.03174	0.6
151.03993	3.8
159.04477	1.7
160.05286	2.1
161.02469	0.6
161.06042	2.3
161.07242	0.4
162.03180	0.6
162.06892	0.8
163.03989	1.5
163.07614	1.9
165.01930	11.4
168.32033	0.4
170.51392	0.4
172.05255	3.3
173.02477	0.4
173.05989	1.2
175.04030	3.4
175.07637	1.6
176.04759	4.4
177.01981	0.4
177.05452	1.4
187.03961	1.2
187.07651	1.3
188.04745	2.2
189.05556	7.5
190.06352	10.8
191.03494	1.2
191.05591	0.8
191.07112	12.2
192.07526	0.7
201.05420	0.6
203.07118	4.9
204.07350	0.7
205.05043	2.9
205.08664	5.7
206.05609	0.5
217.05045	1.2
221.08208	1.3
281.82660	0.5
283.06088	1.6
292.07401	0.5
293.04465	0.5
295.05991	0.8
296.06796	0.9
297.04108	0.8
308.06891	0.9
309.07727	0.5
310.08347	0.8
311.05591	3.6
311.09235	3.6
313.10715	0.6
315.12350	0.5
323.05679	1.0
323.09232	1.1
324.09766	0.6
325.10800	0.9
338.07889	1.0
341.10287	14.3
342.10864	2.3
343.11902	0.6
353.06085	0.4
353.10251	9.8
354.10703	0.6
357.09927	0.7
358.10345	0.7
371.11322	100.0
372.11639	9.1
372.16058	0.7
396.47232	0.5
413.08707	1.2
515.15491	6.8
516.15924	0.6
533.17065	2.1
677.20447	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	677.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42188	0.5
59.01376	1.5
61.98824	1.8
70.96601	0.9
70.96935	0.8
81.84814	0.6
90.90603	0.6
98.32496	0.7
131.66162	0.6
154.60802	0.6
233.99368	0.7
254.02835	0.7
314.34296	0.6
396.58072	0.6
438.13242	1.2
481.15128	12.5
482.15689	3.4
495.16861	2.7
496.16306	0.7
525.14362	0.9
539.15796	1.4
540.16174	3.7
541.16943	0.9
554.17914	1.1
555.18854	19.0
556.19269	3.4
572.15735	5.0
573.15686	1.0
586.16504	0.8
627.20532	2.1
641.22522	23.3
642.22852	7.1
677.20172	100.0
678.20416	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03438	0.9
58.00591	2.4
59.01381	43.5
60.01710	0.5
61.98832	0.6
67.01897	0.3
68.99812	0.3
69.03461	2.5
71.01381	40.4
71.52878	0.2
72.01735	0.4
72.98940	0.4
72.99310	3.2
73.02949	6.5
73.03360	0.4
75.00872	0.8
78.95906	0.5
81.03459	2.1
83.01386	4.6
83.05038	0.4
85.02953	9.3
86.00109	0.5
87.00878	11.0
87.04527	0.2
89.02446	35.8
90.02778	0.4
91.04020	0.6
93.03471	0.4
95.01395	2.9
95.05034	0.4
97.02952	7.1
99.00889	2.3
99.04514	0.6
101.02443	33.9
102.02787	0.6
109.02931	0.5
111.00902	1.0
111.04525	1.2
112.01694	0.3
113.02452	16.9
114.02798	0.3
115.04026	0.9
119.03505	11.1
121.02957	0.6
123.00871	0.4
124.01665	0.3
125.02451	12.8
126.02790	0.5
127.03979	0.7
127.07596	0.3
129.01936	0.5
131.03487	1.2
133.05080	1.1
139.04016	1.3
141.01921	0.6
143.03502	6.9
149.04555	0.9
151.04002	0.3
152.99577	0.4
161.04559	7.8
167.03468	1.0
169.05020	0.9
171.02991	0.7
172.07387	0.2
179.05602	7.5
180.05804	0.3
181.05060	0.4
185.04587	0.6
193.57603	0.2
199.06183	0.5
203.05621	0.5
217.07130	1.1
219.05058	0.3
221.06680	2.4
233.22728	0.3
235.08223	15.5
236.08429	0.4
245.06630	0.7
252.19412	0.2
253.09261	4.1
259.20758	0.5
263.07715	1.6
264.08002	0.3
268.51691	0.2
275.20126	0.3
277.09467	1.1
277.21713	100.0
278.22052	9.0
287.07745	4.6
291.23334	0.4
305.08777	4.2
323.09814	2.1
361.11224	0.6
379.12262	1.2
397.13495	94.5
398.13797	7.1
415.14566	38.2
415.18802	0.7
416.14987	2.7
675.35358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07629	0.2
55.01873	1.8
57.03452	1.2
58.00600	2.1
59.01378	53.2
60.01702	0.7
61.98829	1.7
67.01868	0.5
68.99818	0.6
69.03457	2.3
71.01379	41.0
72.01720	0.5
72.99307	3.1
73.02944	7.6
75.00860	0.8
81.03468	1.6
83.01383	5.0
83.05016	0.4
84.02168	0.3
85.02949	8.7
86.00102	0.5
87.00332	0.5
87.00874	10.8
87.04519	0.6
89.02443	37.0
90.02781	0.5
91.04018	0.9
93.03426	0.4
94.52597	0.3
95.01382	3.2
97.02947	6.9
99.00878	3.0
99.04507	0.5
101.02440	35.3
102.02763	0.5
103.04034	0.5
109.02952	0.6
111.00906	0.5
111.04528	1.0
113.02448	16.6
114.02783	0.4
115.03996	0.8
119.03498	10.6
121.02930	0.7
123.00831	0.3
123.04544	0.5
124.01648	0.3
125.02445	14.3
127.03973	0.7
127.07623	0.4
129.01956	0.3
131.03505	1.9
133.05103	1.1
137.02386	0.3
139.04005	0.9
141.01932	0.8
143.03496	6.3
149.04523	1.1
157.05067	0.3
161.04553	7.8
167.03487	0.5
169.05066	0.9
179.03923	0.4
179.05589	7.5
180.05879	0.3
184.00568	0.2
185.04524	0.9
199.06046	0.6
203.05595	0.8
217.07214	1.4
219.05159	0.5
221.06639	2.4
233.22672	0.5
235.08224	15.1
236.08569	0.7
245.06709	0.9
253.09267	3.6
259.20651	0.6
263.07706	1.6
275.20123	0.5
277.09506	1.2
277.21704	100.0
278.22034	9.4
284.23334	0.2
287.07755	4.0
288.08163	0.3
305.08795	4.7
323.09851	2.0
361.11502	0.5
368.14386	0.2
379.12534	1.3
384.05878	0.2
397.13480	92.6
398.13815	7.7
415.14551	39.0
416.14862	3.0
561.11591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48699	0.6
56.22642	0.5
57.03435	0.7
59.01375	1.4
62.51184	0.6
69.03454	0.5
70.05408	2.0
70.93919	0.5
71.01350	0.5
83.05012	0.7
85.02947	5.0
87.00885	1.7
92.35678	0.5
93.03451	4.3
96.96008	10.3
102.98614	0.8
109.02944	0.6
111.04520	2.7
119.05023	55.8
120.05362	3.0
121.03004	0.6
121.27150	0.5
127.03996	1.3
129.03833	0.7
135.04538	1.3
137.02412	0.9
145.02907	0.8
149.02440	0.5
155.03471	3.2
163.04002	100.0
164.04337	5.7
165.05515	1.2
173.04556	6.2
179.03363	1.1
185.02200	0.7
191.05605	71.6
192.05902	2.6
245.09262	1.4
257.13956	0.7
265.84305	0.6
277.07697	0.8
307.08139	0.6
321.10892	0.5
337.09253	64.0
338.09567	5.0
353.08731	2.3
517.13812	0.6
582.48224	0.5
675.19562	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94732	0.4
54.89700	0.4
55.62969	0.4
57.03390	32.7
57.03846	1.1
58.03745	0.7
59.01320	12.6
59.01646	1.0
61.98767	1.5
67.01892	0.4
68.99776	0.4
69.03412	0.7
71.01321	1.3
71.54865	0.8
81.03448	2.1
83.01363	0.7
84.02161	6.4
85.02884	1.1
89.03923	0.4
91.01855	0.7
93.03474	2.4
95.01311	1.2
96.96027	1.8
97.02887	0.7
97.06487	0.4
99.00818	0.4
99.04518	38.5
99.05475	1.0
100.04812	0.7
101.02441	8.3
103.05467	0.5
105.03362	0.6
106.04189	0.4
107.04966	1.2
108.02171	9.7
109.02971	3.9
111.00780	0.7
113.02460	0.4
116.92778	0.6
119.05037	1.6
121.02949	10.1
122.03756	0.7
123.00950	1.9
123.04435	1.2
123.07943	0.4
124.01695	3.1
125.02448	30.6
126.02724	1.3
131.04993	0.8
133.02969	2.4
133.06578	1.7
134.03639	1.0
135.00851	0.5
135.04512	1.7
136.01660	6.1
136.63467	0.3
137.02446	8.0
138.03232	2.1
143.03403	0.8
143.04977	0.9
145.02878	1.0
146.03735	0.4
147.04495	2.3
147.08057	0.7
148.05319	0.6
149.02466	1.7
149.04503	0.6
149.05962	0.6
150.03218	2.4
151.00302	0.8
151.03902	1.1
152.00017	0.5
152.01152	8.3
153.01801	0.4
159.04523	3.3
160.05246	0.9
161.02385	0.7
161.04774	0.5
161.06075	4.7
162.03143	1.2
162.06749	1.3
163.04021	3.1
163.07674	1.9
164.04817	0.5
165.01921	3.9
166.02492	0.6
169.12320	0.7
171.04433	0.9
171.10207	0.6
172.05185	0.6
173.04539	0.5
173.05972	1.4
174.03180	0.7
175.04004	3.3
176.04674	1.4
177.01947	4.0
177.05493	1.6
178.02705	4.4
179.03508	3.8
180.04028	0.3
182.02092	0.9
187.03923	1.1
189.05580	4.8
190.02731	0.4
190.06349	2.3
191.03624	2.1
191.05524	1.6
191.07135	3.1
193.04985	1.2
197.11806	0.4
201.05623	1.7
201.11215	0.4
202.06216	1.0
203.03413	0.5
204.04263	2.4
205.05058	2.5
206.05840	1.8
209.11794	2.3
210.12067	0.9
211.13419	0.4
216.04306	0.7
217.05066	0.5
219.06606	9.3
220.07011	0.6
227.12784	1.0
251.07280	0.4
253.09187	0.4
282.08905	0.5
283.09698	1.1
290.07352	0.5
293.08008	0.6
294.09113	0.4
304.81549	0.4
311.09216	3.7
323.09332	0.7
327.08722	1.0
339.08713	3.0
340.09470	6.1
341.10056	1.3
351.08774	0.7
355.08203	52.7
356.08945	35.7
357.09341	3.7
369.09760	100.0
370.10117	11.1
371.11465	0.4
397.09393	0.7
424.79791	0.4
435.14633	1.0
438.68643	0.4
453.15613	6.5
454.15930	1.0
518.14587	1.3
573.15991	0.5
675.20587	1.0
675.33667	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	675.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	34.8
58.03795	0.7
59.01377	11.4
68.99805	0.5
69.03437	0.5
70.54037	0.3
71.03178	0.8
73.02442	0.3
73.16719	0.3
81.03447	1.5
82.46673	0.4
83.01385	0.4
84.02168	1.0
93.03447	1.2
95.01380	0.4
99.04517	36.8
100.04839	0.6
101.02441	7.4
107.05045	0.4
108.02170	10.2
109.02972	3.3
119.05009	1.1
121.02953	7.3
122.03763	0.5
123.00848	0.5
125.02442	25.3
126.02758	0.7
131.05028	0.7
133.02980	0.7
133.06561	0.9
135.04483	0.6
136.01654	7.0
137.02443	5.0
143.03490	0.6
143.05040	0.7
145.02969	0.9
145.06596	0.5
147.04512	1.4
147.08052	0.5
148.05267	0.4
149.02449	0.8
150.03195	1.3
151.03981	0.5
159.04524	1.6
160.05284	1.0
161.06064	4.3
162.03209	1.1
162.06851	0.5
163.03966	1.4
163.07689	1.6
165.01929	8.3
166.02307	0.5
171.04471	0.9
173.06027	0.6
175.03989	1.5
176.04761	1.3
187.04010	0.7
189.05589	4.6
190.06332	1.1
191.03477	1.1
191.07155	2.7
204.04218	1.7
209.11757	0.9
219.06606	3.6
281.08279	0.7
283.09814	1.1
284.10022	0.4
311.09259	3.2
339.08719	3.1
340.09448	8.4
341.10052	2.5
355.08273	0.9
369.09766	100.0
370.10117	11.4
573.15771	0.5
639.31622	0.3
675.19818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17344	0.3
50.63439	0.4
55.00127	0.4
57.03440	1.1
59.01380	2.2
60.99318	0.7
65.63071	0.4
66.44594	0.4
67.01878	4.3
69.03445	1.3
71.01385	3.6
71.54696	0.5
73.02942	0.5
81.03464	1.0
83.05027	1.1
85.02943	7.1
87.00874	4.2
88.84535	0.4
89.02428	0.4
93.03453	31.4
94.03800	0.7
96.96008	4.3
99.04538	0.8
109.02960	1.9
111.00889	0.9
111.04523	6.6
113.02409	0.4
114.99402	0.3
117.03465	0.5
119.05022	20.2
120.05354	0.7
127.03977	1.8
129.01955	0.5
135.04506	0.6
137.02449	3.7
145.02968	0.8
149.04517	0.6
155.03491	3.8
163.03999	16.2
164.04390	0.7
173.04533	100.0
174.04890	2.4
191.05600	83.6
192.05933	2.5
211.07683	0.6
245.12262	0.4
327.08826	1.3
337.09259	46.1
338.09576	3.5
359.37543	0.5
501.13751	0.6
675.19226	11.3
676.19653	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	675.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05769	0.2
55.47483	0.2
59.01379	0.6
67.01892	0.3
70.75809	0.2
70.86201	0.3
70.86526	0.2
71.01375	0.5
85.02947	5.3
87.00870	1.1
93.03456	2.5
99.04532	0.2
109.02993	0.2
111.04502	0.8
113.02473	0.2
119.05057	0.6
119.68161	0.2
125.11435	0.2
127.04008	1.6
145.02951	0.7
163.03972	1.7
163.60130	0.2
171.03041	0.4
173.04527	1.2
191.05602	100.0
192.05943	4.6
227.98227	0.2
244.51018	0.2
337.09268	26.4
338.09552	2.7
546.90985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24071	0.3
50.86952	0.3
57.03448	35.8
58.03781	0.5
59.01382	9.8
67.01906	0.3
68.99821	0.5
69.03460	0.5
70.87479	0.6
71.01389	0.4
71.33346	0.2
76.47542	0.3
81.03459	1.7
83.01396	0.8
84.02161	6.7
91.01878	0.7
93.03474	1.6
95.01407	0.7
99.04518	36.9
100.04874	0.8
101.02444	8.6
103.05550	0.3
107.05035	0.5
108.02171	9.0
108.02911	0.5
109.02976	3.1
113.02453	0.4
117.03453	0.5
119.05026	1.3
121.02951	7.2
121.03768	0.6
122.03780	0.7
123.00851	0.3
123.04556	0.5
125.02441	26.9
126.02750	0.8
130.04236	0.6
131.05022	0.9
133.02934	0.8
133.06601	1.6
134.03735	0.7
134.78758	0.3
135.04501	1.3
136.01657	4.9
137.02440	4.0
143.03485	0.7
143.04999	1.1
145.02934	1.0
145.06598	0.4
147.04506	1.8
148.05289	0.8
149.02422	0.5
149.06068	0.4
150.03252	1.6
151.03955	0.4
152.01126	0.9
159.04549	2.3
160.05267	1.0
161.02475	0.4
161.06061	3.7
162.03217	0.9
162.06772	0.5
163.03981	1.9
163.07658	1.6
165.01907	2.9
171.04488	1.1
172.05302	0.4
173.06052	1.0
174.03192	0.6
175.03999	2.1
176.04768	1.0
177.01956	0.5
177.05603	0.6
178.02725	0.8
179.03465	0.4
182.02164	0.5
187.03981	0.6
189.05559	4.3
190.06320	2.0
191.03560	1.5
191.05486	0.5
191.07127	3.1
193.05032	0.8
201.05524	1.3
204.04192	1.8
205.04887	0.4
206.05699	0.4
219.06601	8.9
220.06897	0.4
223.07790	0.3
234.05301	0.5
281.08221	0.6
283.09747	1.1
311.09232	3.0
312.74362	0.4
323.09012	0.4
339.08701	3.8
340.09448	5.4
341.10062	1.6
351.08817	0.5
355.08261	4.8
356.08899	3.6
357.09689	0.3
369.09763	100.0
370.10068	11.3
426.27060	0.3
453.15540	0.8
615.22644	0.4
675.19269	0.8
675.31860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.2
57.03450	0.6
58.00587	0.2
59.01385	2.7
61.98833	1.0
64.88989	0.2
68.56772	0.2
70.06369	0.7
71.01377	1.9
73.02919	0.4
73.92009	0.2
80.02690	1.0
81.03450	1.1
83.01387	0.6
83.05025	4.7
84.02157	0.8
85.02509	0.2
85.02929	1.0
87.00886	0.6
89.02444	1.3
93.03465	0.5
95.01331	0.2
95.05019	0.7
96.72659	0.2
96.96022	0.3
97.02955	0.4
97.06588	0.3
101.02434	1.7
105.48378	0.2
109.02940	0.6
109.06638	0.2
110.06554	0.2
112.93024	0.2
113.02473	0.6
119.03570	0.3
121.02982	0.3
123.04517	0.3
123.08176	0.3
125.02448	1.7
125.06128	0.3
125.09739	0.3
127.11385	0.2
133.02943	0.2
135.03006	0.4
135.04543	0.4
135.08183	0.7
137.02449	0.6
139.04089	0.2
145.05019	0.2
147.11751	0.3
149.09784	0.2
151.04024	0.2
161.02472	0.2
161.04546	1.1
163.11285	3.8
164.11566	0.2
165.01947	0.3
165.12863	2.2
171.10269	1.7
173.04506	0.5
179.03528	0.4
179.05656	0.4
181.12341	0.7
188.04832	0.2
191.05605	1.9
191.10817	1.0
192.05933	0.3
199.13345	0.7
201.11317	0.3
209.11823	100.0
210.12152	6.5
211.13431	0.2
227.12891	15.7
228.13216	0.9
235.08202	1.3
247.13385	1.1
251.12927	0.2
253.09274	5.7
253.11894	0.4
254.09888	0.2
265.14587	0.3
269.04456	0.9
279.79724	0.2
289.07224	2.0
300.02652	0.3
371.11374	0.6
372.11395	0.2
401.23410	0.3
419.24435	0.4
445.20737	1.1
463.21979	0.4
469.18918	0.4
480.35504	0.2
611.31287	0.3
623.20819	0.3
637.31903	0.7
638.32843	0.3
655.32623	0.4
673.34180	0.5
704.24860	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21307	0.4
59.01377	55.9
60.01720	0.6
61.98826	2.6
62.79247	0.4
69.27084	3.1
74.56342	0.4
84.89818	0.3
88.83459	0.4
90.97131	1.2
118.96642	0.5
127.61279	0.4
132.98180	2.1
157.03561	0.6
164.98911	0.4
174.99240	23.9
175.99516	0.8
192.95840	1.6
201.02545	4.2
202.02702	0.4
215.25421	0.4
217.00284	100.0
218.00597	3.6
218.98007	0.5
355.20563	0.5
359.01437	9.6
360.01797	0.7
374.99210	61.1
375.99551	3.2
517.00482	2.9
532.98120	17.4
533.98431	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01464	0.3
57.03441	1.0
59.01377	18.1
71.01387	1.1
71.31183	0.6
80.14765	0.3
83.01388	0.5
83.05044	1.0
85.06590	0.4
88.93665	0.4
93.03464	0.3
97.06576	0.7
108.76876	0.3
121.31357	0.3
125.02460	2.3
125.13581	0.3
126.51714	0.4
135.04475	0.4
137.02434	0.9
139.11314	0.7
163.11317	0.6
165.12787	0.4
167.03487	0.4
175.90588	0.4
177.02010	0.4
179.14369	1.9
180.60091	0.4
187.04073	0.4
191.05586	0.9
195.13861	0.8
197.15466	16.4
198.15765	0.9
225.14943	17.6
226.15329	0.9
229.79852	0.4
243.15991	100.0
244.16339	6.4
272.95911	0.4
285.17059	56.1
286.17340	4.0
289.07074	0.7
300.02850	0.6
383.11136	0.4
407.07471	0.4
433.07846	0.8
455.54099	0.4
547.16046	0.8
673.18616	0.5
684.50385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03447	1.1
59.01380	100.0
60.01718	1.0
71.01381	9.5
71.01778	0.5
72.48182	0.3
72.99309	0.5
73.02950	3.8
83.01398	2.4
85.02941	5.0
87.00909	0.6
89.02455	3.6
95.01398	0.6
96.96001	0.8
99.00900	1.8
101.02449	10.6
101.03100	0.6
105.04507	0.4
113.02451	5.6
119.03529	0.9
138.12030	0.3
143.03479	0.6
159.02948	0.6
161.04558	5.0
172.21133	0.3
179.05638	1.8
191.05602	0.5
203.12840	0.4
205.03653	0.5
209.04451	0.4
221.10295	26.2
222.10689	0.8
263.11343	17.6
264.11676	0.8
277.12918	0.5
307.10529	1.0
365.18124	3.5
467.35132	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71684	0.7
57.03448	7.1
59.01388	3.0
61.98829	2.4
64.05005	0.7
71.01384	0.9
71.53121	0.9
71.83537	0.6
73.02928	1.9
81.03439	3.5
83.01383	3.2
83.05021	3.1
85.02962	8.0
85.06615	1.9
92.97309	0.7
93.03436	1.1
95.05034	6.2
96.96031	1.1
97.02966	2.5
99.04517	2.6
99.08171	0.9
107.50768	0.7
109.06580	1.1
111.04499	1.0
122.03757	1.4
123.04536	9.5
123.08177	1.2
125.02457	11.6
127.34737	0.7
134.66797	0.6
135.04634	0.9
137.02451	1.0
137.06097	9.0
137.09749	2.0
139.03996	2.2
139.07634	1.2
139.11333	1.4
148.18001	0.7
149.02399	1.1
149.09729	1.6
151.11227	1.5
155.03452	1.2
155.10757	1.9
163.04066	1.4
163.11330	2.6
165.05580	2.1
165.12912	0.9
167.03508	29.5
168.03827	1.0
169.12355	7.8
179.03493	4.6
179.10864	1.0
181.05103	2.0
191.05617	6.6
193.04967	1.6
195.13913	100.0
196.14243	5.9
197.04523	2.1
201.84334	0.6
206.02155	0.6
209.04558	86.1
210.04884	5.6
211.05046	1.0
211.13263	0.7
213.14932	1.0
221.04485	2.0
237.15060	0.9
239.05623	16.6
240.06003	1.2
255.16010	10.0
257.13956	1.3
285.04068	1.9
299.15039	10.4
311.07831	1.5
329.08783	40.2
330.09244	3.2
332.18503	0.8
352.94931	0.7
353.08759	1.1
611.16113	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	672.142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
61.98826	8.0
65.00317	0.7
83.01410	0.8
85.02943	0.9
98.20685	1.4
107.01382	3.0
108.02171	0.8
109.02943	1.3
111.24229	0.7
115.69886	0.7
118.21292	0.6
121.03003	1.9
123.04523	2.0
125.02469	0.7
138.08891	0.8
145.03000	2.2
149.02461	1.1
151.00375	10.0
163.00412	2.0
169.01454	0.9
178.99881	5.3
216.04417	0.7
226.02695	0.8
227.03461	1.9
229.05064	0.8
243.02972	7.0
245.04495	1.2
254.02217	2.1
255.02971	21.9
256.03479	2.2
257.04550	0.8
271.02469	44.4
272.03003	4.5
273.04135	1.3
299.02048	1.1
300.02759	87.4
301.03488	40.4
302.03812	1.8
337.49945	0.6
343.04517	0.8
447.09357	10.9
448.10089	0.8
463.09109	0.7
475.12589	3.4
517.33044	0.7
541.12958	0.6
546.91766	0.7
609.14594	100.0
610.14893	12.7
703.63068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04639	0.5
57.03445	7.7
59.01375	2.6
59.67507	0.5
61.98838	0.9
67.01910	0.6
69.03478	0.5
71.01395	1.2
71.54881	0.6
73.02953	1.6
76.49689	0.4
81.03457	4.4
83.01386	2.5
83.05030	3.5
85.02951	7.2
85.06608	1.8
87.04504	0.6
93.03452	1.0
95.05030	6.4
96.96008	0.6
97.02954	1.8
99.04511	2.7
99.08161	1.6
103.00355	0.8
105.16286	0.4
109.02933	0.6
113.02550	0.7
119.05020	1.2
122.03767	0.8
123.04530	8.9
123.08169	1.4
124.04868	0.6
125.02445	10.9
126.02718	0.5
133.02921	0.5
135.08141	0.6
137.02437	1.8
137.06091	8.4
137.09769	1.3
139.04010	2.0
139.07677	0.6
139.11313	1.3
141.05618	0.6
149.02400	0.9
149.09706	2.2
151.00471	0.8
151.11292	2.1
153.05507	0.5
153.09232	0.6
155.03470	0.7
155.10793	1.9
163.00401	0.5
163.04037	0.9
163.11292	2.9
164.11610	0.5
165.05588	2.1
165.12849	1.9
167.03494	31.9
168.03848	1.8
169.12346	6.8
173.04469	0.5
177.12868	0.9
179.03510	4.8
179.10818	0.6
181.05026	1.6
191.05608	6.6
192.06119	0.6
193.05032	1.4
193.12376	1.4
194.12709	0.6
194.20569	0.4
195.13896	100.0
196.14215	5.6
197.04518	1.3
205.03593	0.7
206.02136	0.8
209.04547	87.9
209.15459	1.0
210.04858	5.6
211.05252	0.5
221.04527	2.6
237.15013	1.8
239.05606	17.0
240.05951	1.2
251.05553	0.6
255.16019	10.3
257.13904	1.7
285.04221	0.7
299.14969	12.6
300.15283	0.9
311.07773	1.0
312.58078	0.5
329.08771	37.4
330.09042	3.2
343.06607	1.0
495.55142	0.6
597.54694	0.5
647.34717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2674
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
50.73813	4.3
50.81205	4.0
59.01390	6.0
61.98829	25.7
62.82813	3.6
70.83390	3.6
71.55165	4.8
78.95882	4.7
220.59085	4.1
235.65273	4.9
237.34601	3.9
255.23276	5.7
671.15430	6.0
671.26776	100.0
672.26843	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	671.401
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03443	0.8
59.01375	3.7
61.98833	3.6
69.71077	2.0
71.01380	2.7
73.02931	0.8
85.02940	2.2
87.00886	0.7
89.02440	1.6
89.84811	0.4
89.93413	0.4
90.68920	0.5
93.03455	1.4
96.95984	0.7
97.02959	0.4
99.00895	0.5
101.02432	1.1
111.04539	0.8
113.02483	0.5
124.01603	0.6
125.02446	2.3
135.04543	0.6
135.08156	0.8
136.05344	0.4
137.02454	2.5
137.09642	0.7
138.02769	0.7
149.02544	0.4
149.04616	0.7
149.06062	4.5
150.06860	38.8
151.04013	0.6
151.07446	1.7
155.10735	0.6
163.04041	0.6
163.06322	0.7
163.07637	9.9
163.11284	0.7
164.08415	4.2
165.01944	0.6
171.10277	0.6
173.04541	0.8
175.04042	0.5
176.08411	1.5
177.09210	1.1
178.10017	2.9
179.03386	0.4
179.10770	10.8
180.11154	0.6
191.05614	3.9
207.10248	2.4
209.11818	2.9
225.11267	2.6
227.12909	1.0
242.02174	0.7
243.02928	0.6
253.09410	0.5
255.02922	1.0
269.04324	0.5
271.02396	1.6
285.03976	0.4
300.02725	2.3
301.03415	0.8
329.23264	5.3
330.24240	0.5
399.21454	0.5
423.07071	2.0
425.18030	0.4
430.30731	1.0
443.19394	0.6
445.33194	1.0
448.32022	7.4
449.32465	1.0
451.06516	0.8
461.20322	1.0
462.33701	1.5
463.34250	9.9
464.34787	1.6
490.32986	1.6
491.33945	2.4
508.34259	3.1
509.34811	26.4
510.35205	3.9
535.49701	0.5
539.18683	0.5
542.19934	1.1
574.11798	0.6
653.31519	0.8
671.18945	6.8
671.40149	100.0
672.18976	1.1
672.40479	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	671.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98780	0.2
51.35507	0.2
58.42376	0.2
59.01379	1.3
60.41817	0.2
66.73000	0.2
67.01878	0.4
68.20160	0.2
69.03460	0.3
69.09959	0.2
71.01379	0.6
71.29401	0.2
71.54012	0.3
71.59895	0.2
73.02945	0.3
81.03474	0.2
83.05023	0.3
85.02950	5.4
87.00859	1.1
93.03455	3.0
94.32857	0.2
99.04519	0.3
101.02465	0.2
107.03748	0.2
109.02953	0.5
111.04498	0.8
115.00425	0.2
117.03448	0.3
119.05029	1.0
125.02444	0.5
127.04024	1.4
145.02942	0.7
151.03963	0.2
161.02596	0.2
163.04044	1.6
171.02925	0.4
173.04541	1.4
191.05602	100.0
192.05948	3.9
272.76788	0.2
289.07120	0.3
297.03830	0.2
298.04706	0.2
309.04037	0.3
337.09274	24.6
338.09711	2.2
427.93909	0.2
535.18011	0.4
609.14709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	22.1
59.01381	21.8
69.03447	1.1
70.64438	1.1
70.79375	0.5
71.01385	1.6
73.02946	2.0
81.03459	1.0
81.05093	0.7
83.05000	1.1
85.02962	4.5
87.04565	0.7
95.05014	0.7
97.06570	0.6
99.04512	2.3
107.05013	0.6
109.06589	15.4
111.04524	7.0
121.06638	1.1
123.04520	3.3
123.08134	2.4
125.02422	1.0
125.06071	0.8
135.04532	1.6
135.08163	20.9
136.08479	0.9
137.09726	12.0
138.06854	3.0
138.10072	0.6
149.09746	5.7
151.00587	0.5
153.09213	6.4
162.61316	0.6
163.11310	9.5
167.03499	17.3
167.04935	0.9
167.10760	7.8
167.78806	0.6
168.11148	0.7
168.87567	0.6
175.07579	0.7
175.11203	1.3
177.09203	24.4
178.09607	1.6
179.03477	1.5
191.05554	0.9
191.10783	6.9
193.12326	100.0
194.12656	5.7
202.09970	0.5
211.13387	37.8
212.13744	3.1
217.12347	3.3
235.13367	21.6
236.13744	1.6
253.14432	19.7
254.14880	1.1
255.12428	2.4
285.67590	0.5
289.06915	0.7
297.13409	12.7
298.13528	0.7
329.08777	3.5
337.55573	0.6
341.08731	1.5
556.74359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12181	0.3
59.01371	1.2
59.75675	0.3
61.09540	0.3
69.65508	0.4
70.19415	1.5
71.01381	8.5
73.02956	3.1
81.03486	0.3
83.01388	0.8
85.02956	4.1
89.02471	0.8
93.03481	0.6
95.01389	0.8
98.01427	0.3
99.00893	1.2
99.04533	0.7
101.02442	5.3
108.02145	1.9
109.02970	2.2
113.02453	4.8
121.02973	2.7
121.06585	0.6
122.03738	100.0
123.04597	11.2
128.25673	0.3
134.03702	0.4
135.04538	1.0
137.02452	2.1
137.06104	2.0
143.03479	0.5
147.04543	1.8
149.06102	0.6
150.03171	0.4
159.02971	1.4
161.03262	0.7
161.04559	11.8
162.04872	0.4
165.05569	7.1
167.03516	0.9
167.96297	0.3
177.05548	3.1
184.57599	0.3
186.82735	0.3
191.05585	0.7
205.03540	0.5
285.09790	4.9
329.08774	67.7
330.09042	4.7
543.55194	0.4
544.03638	0.4
603.07843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.8
59.01386	2.5
60.56406	0.4
61.04340	0.4
61.98834	10.8
67.01878	0.6
69.03458	1.0
70.87840	0.8
70.88166	0.6
71.01390	1.6
73.02945	0.9
81.03458	6.3
82.75424	0.4
83.01379	10.8
85.02940	2.3
88.98841	0.7
89.02445	1.0
93.03466	5.2
95.01405	1.5
95.05032	10.0
96.96039	1.2
97.02956	3.7
99.04501	2.2
101.02458	1.7
101.26743	0.4
107.05035	1.3
108.02209	0.9
109.02969	3.4
109.06593	0.6
111.00870	1.0
111.04498	1.4
113.02438	1.4
119.05046	0.6
121.02978	1.8
122.03731	1.4
123.01018	0.5
123.04530	19.0
124.04845	0.7
125.02449	17.5
126.02785	0.9
133.02985	0.7
134.03761	0.9
135.04524	4.5
137.02448	17.9
137.06078	12.9
139.04013	10.1
141.05548	0.8
147.04518	0.7
149.02454	3.1
149.06097	2.6
150.03227	1.0
151.04024	7.5
155.03499	2.0
161.02489	1.1
163.00424	1.0
163.04059	1.3
163.07561	0.5
164.04808	3.0
165.01910	1.3
165.05539	5.2
167.03494	65.2
168.03860	2.6
175.04016	1.3
177.01907	1.8
177.05563	3.0
178.02701	0.6
179.03494	33.4
180.03951	1.5
181.05096	3.1
191.03522	6.4
191.05351	0.8
192.04205	1.1
193.05049	18.1
194.05396	0.6
197.04549	3.0
203.03702	0.6
205.01378	1.4
205.05002	1.1
206.02139	1.2
207.03040	1.0
207.06653	0.5
209.04546	100.0
210.04909	4.7
215.03543	0.6
219.02829	0.7
220.03758	0.6
221.04547	66.7
222.04822	3.5
223.06042	1.1
233.04555	2.0
239.05602	63.1
240.05931	3.3
251.05600	43.8
251.08325	1.0
252.05919	2.5
263.05582	1.1
271.02490	1.5
281.06708	1.6
293.06766	0.7
298.01248	1.6
299.01923	2.1
300.02774	0.8
303.08832	0.6
311.07669	3.9
323.07776	3.7
329.08783	44.7
330.09073	2.1
341.08749	77.8
342.09036	5.9
431.09979	3.9
461.06921	1.9
461.11465	1.4
462.07269	0.9
533.12634	1.2
551.14056	19.9
552.14258	2.8
581.14972	3.2
653.17017	1.4
671.18225	24.1
672.18549	3.5
676.13971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42624	19.3
56.55888	18.0
59.01361	19.1
61.98828	100.0
70.38888	51.9
117.27418	18.1
173.97154	19.4
255.23384	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	670.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51347	0.5
57.03432	1.3
59.01378	4.1
61.98830	100.0
66.33607	0.6
71.01385	4.0
71.54435	0.6
73.02950	1.5
81.03459	1.4
83.01400	2.5
84.12157	0.6
85.02964	4.5
87.00867	0.6
88.98803	0.9
89.02460	1.6
93.03472	1.1
95.05039	1.7
96.96028	1.4
97.02940	0.7
97.06290	0.6
101.02468	1.6
108.02221	3.4
109.02989	2.0
110.00115	2.5
111.00858	0.7
113.02456	1.6
119.05039	0.7
123.04532	3.9
125.02438	4.6
129.01984	0.7
135.04553	1.9
137.02452	3.6
137.06119	2.4
137.99561	1.0
139.04057	1.8
147.02975	0.6
149.99677	0.6
151.00421	1.3
151.04037	2.0
152.01207	2.5
153.01955	3.4
153.05566	0.8
161.02509	0.7
161.04544	0.8
163.04044	3.1
164.98335	3.8
165.05611	1.1
165.99113	3.4
167.03493	13.1
175.04117	0.6
177.01985	0.7
177.05620	0.8
177.98940	0.8
179.03535	4.6
179.05678	0.8
181.05177	1.0
191.03520	1.4
193.05054	3.0
197.04636	0.8
205.05069	1.2
209.04555	23.4
221.04550	16.8
221.06583	1.1
239.05554	8.1
241.01523	0.9
242.02220	1.8
243.02950	0.7
251.05632	3.9
257.04465	0.8
270.01651	1.0
271.02539	1.3
283.02316	0.8
285.00482	3.2
285.03955	0.9
286.01120	1.4
299.02032	1.8
300.02731	6.6
301.03549	1.8
311.07700	1.5
313.00073	0.7
314.00781	0.8
315.01825	0.9
315.05206	2.5
328.02286	1.2
329.03006	16.0
329.08817	7.7
330.03574	1.3
339.07263	0.8
341.08755	13.5
343.04572	9.9
344.05344	38.3
345.05807	3.8
357.05341	0.8
358.06927	4.0
359.07706	62.6
360.08121	5.3
395.34006	0.7
431.09802	0.9
460.08386	1.0
461.07346	1.6
461.49652	0.7
480.60181	0.6
550.56641	0.6
551.14154	4.7
563.14026	19.6
564.15002	2.4
669.40631	5.8
670.15918	9.7
670.41254	2.4
671.17841	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	669.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
61.98832	100.0
63.65019	0.2
71.54560	0.3
71.90240	0.2
72.48280	0.2
78.95918	0.4
86.81655	0.2
112.04554	0.2
146.96588	0.2
148.46278	0.2
169.40587	0.2
171.10286	0.2
192.31331	0.2
293.35498	0.2
306.85236	0.2
314.90891	0.2
602.53546	0.2
645.87213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3855
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
53.67398	0.4
57.03458	1.3
59.01371	2.2
61.20557	0.4
61.98823	3.2
63.62774	0.4
66.81123	0.4
70.97086	1.0
71.01380	1.8
73.02932	0.5
76.19964	0.4
79.35371	0.5
85.02953	1.3
87.00871	0.8
89.02461	0.4
93.11926	0.5
99.04523	0.6
101.02432	0.8
111.04496	0.6
111.08148	0.6
113.02518	0.5
123.04510	0.7
125.09657	0.6
135.08167	0.6
136.60443	0.4
148.05261	0.6
149.06087	5.6
150.06860	44.2
151.07344	1.8
157.08636	0.8
161.09729	0.8
162.06873	1.0
163.07645	10.7
164.08421	6.0
171.10271	1.2
176.08400	1.9
177.09137	1.0
178.09995	3.7
179.09151	0.7
179.10762	12.9
180.11049	0.5
191.05600	1.2
207.10367	0.9
209.11807	1.2
225.11304	1.1
263.20096	0.6
279.23209	0.8
281.21204	1.3
283.18982	0.8
325.23840	0.9
327.21725	5.1
404.11188	0.5
428.29376	1.6
443.31531	0.8
444.32056	0.8
445.33130	0.5
446.30283	8.9
447.30493	1.0
460.31699	1.4
461.19516	0.5
461.32648	10.1
462.33002	1.3
488.31424	1.5
489.32089	2.4
506.32538	3.4
507.33221	30.7
508.33557	3.9
669.38550	100.0
670.27948	1.0
670.38934	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65834	0.7
57.03448	20.5
59.01374	2.9
64.87599	0.8
71.01373	3.5
71.54815	0.7
71.55194	1.0
72.02155	2.0
73.61603	0.7
81.07099	1.5
83.05022	17.7
87.04512	57.2
89.02438	1.0
95.05035	2.1
97.06578	12.1
98.03716	2.1
101.02440	0.9
112.60312	0.8
113.06087	7.5
116.92799	0.7
117.37502	0.7
121.06591	1.4
127.98978	0.8
128.14925	0.7
133.01459	1.3
134.03722	1.9
135.08157	1.5
137.09720	14.1
139.07637	1.2
141.73209	0.7
149.09715	3.1
151.11378	1.3
153.09219	9.8
165.12814	5.2
166.02684	2.4
177.12830	1.7
179.10809	1.4
181.05064	12.5
191.05574	2.5
191.18555	1.0
193.05014	2.9
195.13901	26.0
196.14217	2.1
201.12958	0.9
209.15550	1.8
219.13855	4.7
237.14949	100.0
238.15286	6.8
239.12875	7.0
281.13937	27.5
282.14328	2.2
395.17462	0.9
444.45239	0.8
543.08173	0.9
569.44635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54382	0.3
55.01876	0.6
57.03448	0.9
58.08920	0.4
59.01381	100.0
60.01718	1.1
71.01382	8.2
71.54259	0.5
71.54643	0.3
72.99310	0.3
73.02952	2.7
75.00870	0.4
78.89816	0.3
83.01371	1.5
84.82716	0.4
85.02951	5.0
87.00876	0.4
89.02455	3.5
91.18284	0.3
95.01400	0.8
99.00925	1.1
101.02446	8.7
102.98623	0.4
105.03495	0.6
113.02461	4.3
116.33284	0.3
119.03532	1.2
121.02930	0.3
123.04530	1.7
125.02485	0.8
129.01984	0.4
131.03485	0.3
132.03113	0.4
137.02528	0.3
143.03555	1.1
149.02460	2.4
149.04556	0.6
159.03044	0.6
161.02510	0.5
161.04564	3.9
167.03529	1.1
179.05638	1.5
191.05664	1.0
193.12317	0.5
235.11853	13.0
268.29282	0.3
277.12915	10.4
278.13333	0.5
329.08804	1.3
330.03864	0.4
341.11014	0.9
345.06305	1.2
345.15491	6.3
346.16019	0.6
347.17181	1.1
397.07776	0.5
409.61533	0.3
493.28897	0.3
507.11386	0.5
510.64926	0.3
621.28082	0.4
669.16791	0.9
669.26672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	7.4
58.88522	0.4
59.01383	2.5
71.01382	0.9
71.53739	0.8
71.56070	0.4
73.02948	1.8
83.05027	4.4
85.02950	5.5
85.06606	2.2
89.02469	0.4
97.34907	0.4
98.03696	0.4
99.04515	0.8
99.08149	1.6
109.06597	0.6
113.06071	0.6
119.05034	5.5
119.92582	0.4
120.05355	0.7
123.08185	1.4
126.09031	0.4
135.04500	1.8
135.08141	0.6
136.04915	0.6
137.06064	1.9
137.09718	1.6
139.07724	0.4
139.11278	1.5
143.97260	0.4
149.09700	1.8
151.11278	1.6
153.09169	0.5
155.10767	1.6
163.04022	5.6
163.11264	2.4
164.04282	0.5
165.12881	1.5
167.14458	0.4
169.12331	6.5
177.12834	1.0
179.03531	1.3
179.10793	1.1
180.03996	0.4
181.05095	6.0
188.80592	0.4
191.05664	0.6
193.12267	0.4
195.13899	100.0
196.14244	6.5
209.15346	0.9
213.14984	0.6
228.08984	0.4
237.14996	1.5
255.16005	10.1
256.16367	0.7
257.14017	1.6
289.07220	1.1
299.14975	9.9
300.15289	0.9
311.37515	0.4
325.09213	0.7
342.64362	0.4
343.10291	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	669.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54856	0.4
50.55146	0.4
54.79164	0.3
59.01382	1.6
67.01901	0.8
71.01380	1.7
71.24151	0.8
85.02953	6.8
87.00880	1.2
93.03456	3.8
95.01391	0.8
95.84798	0.4
99.00890	0.5
101.09108	0.4
108.02177	25.6
109.02979	10.8
110.03386	0.4
111.04536	1.1
113.02451	0.8
121.02875	0.5
123.00893	0.5
123.04555	0.5
125.02481	0.6
127.04006	1.4
133.02954	0.6
134.03709	0.5
135.04523	7.8
136.04863	0.5
137.02457	0.9
139.03966	0.4
151.04034	0.6
152.01152	22.9
153.01961	10.3
155.03528	0.5
161.02431	2.2
163.04033	0.5
165.01904	0.8
167.03511	0.8
173.04549	10.5
174.04907	0.5
179.03485	8.0
180.03809	0.4
191.05612	100.0
192.05971	3.4
195.13766	0.4
211.14005	0.4
298.20840	0.4
315.07233	42.5
316.07666	2.8
353.08777	27.6
354.09158	1.7
362.55493	0.4
507.21564	0.4
596.66339	0.5
674.69110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14640	1.2
57.03445	2.0
58.75558	1.0
59.01382	7.8
60.99310	1.9
61.98829	33.1
63.10113	1.2
69.03443	1.1
71.01379	4.6
71.55566	1.0
73.09550	1.1
74.51257	1.1
75.00880	2.3
81.03456	7.0
83.01380	14.3
85.02966	7.9
88.98816	7.2
89.02430	1.8
92.35514	1.1
93.03466	4.9
95.01365	1.6
95.05033	9.3
97.02946	4.6
99.00896	1.6
99.04514	1.2
101.02438	3.6
105.01913	2.0
105.03465	2.1
107.05024	1.6
109.02943	4.9
113.02475	1.3
116.92838	1.8
117.01866	1.2
119.05029	2.8
121.02951	3.5
123.00885	5.1
123.04523	26.8
125.02455	18.1
128.01439	1.1
129.01906	1.3
132.98500	1.2
133.02946	2.7
134.03743	2.2
135.02998	1.1
135.04527	15.3
136.01668	5.8
136.10201	1.1
137.02466	16.0
137.06093	10.4
139.04022	8.3
147.02951	1.6
147.04504	3.2
149.02452	8.0
149.06052	2.9
150.02792	1.5
151.00354	1.5
151.04007	16.2
152.01028	1.1
152.04330	3.6
153.01851	1.5
155.03464	2.5
161.02473	1.5
163.00337	3.4
163.04008	5.6
165.01949	9.3
165.05511	5.8
166.02576	1.3
167.03496	99.5
168.03824	4.0
173.02444	1.0
175.03964	4.2
176.01151	1.3
177.01945	12.2
177.05504	3.8
179.03502	51.8
180.03854	2.4
181.05046	4.6
189.05544	1.7
191.01939	1.8
191.03479	13.8
191.05452	2.3
193.05028	16.6
193.70642	1.1
197.04454	1.5
205.01445	1.9
205.05064	3.6
206.02184	13.1
207.02985	61.8
208.03238	2.4
209.04539	100.0
210.04892	5.3
217.04961	3.3
219.02980	19.0
221.04538	67.0
222.04897	3.3
223.06158	2.2
225.03954	1.4
233.04477	6.7
237.03990	3.7
239.05618	29.7
249.03964	12.5
251.05586	14.0
261.04047	10.2
263.05573	1.4
267.04984	7.8
279.05038	1.6
291.05127	4.0
309.06030	2.3
311.07712	4.6
321.06149	1.8
327.07202	50.6
328.07581	2.3
329.08759	39.0
330.08878	3.3
339.07193	56.7
340.07486	4.3
341.08765	59.9
342.09119	4.2
357.13388	5.1
358.13712	10.0
384.27417	1.3
405.19995	1.3
429.08087	7.2
549.12415	20.9
550.12213	2.2
669.16064	22.0
670.16180	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	667.282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33735	0.3
55.01877	1.1
57.03446	0.8
59.01381	100.0
60.01714	1.3
61.96355	0.3
63.32282	0.3
69.17686	1.5
69.18114	1.3
71.01382	8.2
72.99303	0.4
73.02949	4.3
82.03794	0.3
83.01384	2.7
85.02952	5.2
87.00918	0.5
89.02465	0.8
95.01415	0.7
99.00871	1.8
101.02443	10.6
109.02943	0.6
111.00906	0.4
113.02448	4.7
115.65328	0.3
123.04555	0.6
125.02454	0.7
129.01959	0.4
143.03490	0.5
159.02983	0.7
161.04547	4.8
167.03532	0.6
183.10295	3.7
191.05612	0.6
198.40901	0.3
206.08322	0.5
235.11855	22.0
236.12228	1.1
255.25711	0.3
277.12930	11.9
278.13217	0.7
310.11038	0.4
321.12018	0.5
328.61774	0.3
331.14035	0.3
340.15485	0.4
341.15649	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	668.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35849	0.3
61.98827	100.0
69.38799	1.1
69.39227	0.9
90.19790	0.3
96.93640	0.2
117.28808	0.3
129.64500	0.2
159.38608	0.2
171.10251	3.1
172.10611	0.4
231.48433	0.3
277.21683	2.2
278.22226	0.6
394.32608	0.3
528.56232	0.3
529.22839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	87.7
61.98836	100.0
67.92312	18.2
71.01379	49.2
73.82539	21.6
76.02197	20.4
88.98802	25.9
91.85953	18.6
93.03446	35.1
101.02451	24.1
102.15966	18.5
108.02132	28.1
125.02395	31.5
137.02446	57.7
191.05582	56.6
281.06534	44.7
371.11392	72.8
391.05215	21.9
469.18655	68.8
667.20642	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.2
61.98828	3.0
67.01864	0.4
69.51337	1.2
69.51762	1.0
71.01373	0.8
77.03984	0.4
83.01403	0.4
85.02946	0.6
89.03978	1.2
95.01382	0.7
105.03448	0.4
107.01382	0.5
107.05029	0.7
108.02176	0.8
109.02929	1.9
111.00861	1.3
119.04996	1.1
121.02956	1.2
122.03778	0.7
123.00886	3.7
123.04500	0.8
124.01656	6.6
125.02438	0.6
131.05016	0.7
133.02982	2.5
135.04546	0.9
136.01604	0.8
137.02441	22.1
138.03238	11.4
139.03603	0.4
140.81468	0.3
149.02420	3.0
150.03232	3.1
151.00378	2.4
151.03989	3.1
152.01147	17.6
153.01675	1.2
159.04501	0.9
161.02419	1.2
161.06000	0.5
163.04015	5.0
164.01128	0.8
164.04527	0.5
165.01852	0.9
166.02690	2.2
175.04018	1.1
176.04784	0.5
177.01920	9.3
177.05547	1.3
178.02698	10.9
179.03485	12.7
180.04192	1.7
187.03963	0.5
189.05492	0.5
190.02675	0.7
190.06244	0.4
191.03555	1.8
191.05548	0.4
202.02631	0.7
203.03516	1.0
204.04250	0.6
204.18646	0.4
205.05049	3.0
206.05812	3.6
220.07259	0.4
297.07941	0.5
308.06635	0.5
313.07129	0.5
314.80441	0.3
326.08081	0.6
327.08655	0.8
327.12292	0.6
329.09930	0.5
341.06714	1.0
342.10855	0.7
343.11841	2.9
353.10355	0.5
355.08218	0.9
356.09027	1.0
357.09854	0.8
371.11316	100.0
372.12054	94.7
373.12460	9.1
469.18649	6.4
470.18622	0.7
534.17444	2.7
549.53711	0.4
667.38971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89220	0.7
57.03433	0.8
59.01379	4.9
61.98844	1.4
66.71214	0.9
69.96571	0.9
70.96008	2.1
71.01364	4.0
71.58951	0.8
73.34483	0.8
74.02465	1.9
76.41833	0.8
79.05538	5.5
81.03455	5.8
82.98852	1.1
83.01384	1.2
85.02930	4.1
87.00845	1.4
89.02470	1.9
93.03454	1.4
96.95975	1.0
97.02966	0.9
98.38524	0.8
99.79298	0.9
101.02441	2.0
105.03465	18.6
107.05045	1.2
109.02929	2.1
113.02501	1.7
117.03443	1.0
119.05010	2.7
121.02947	2.0
122.03706	3.6
123.04530	66.2
124.04840	2.3
125.02490	5.4
131.07111	1.9
132.02182	8.4
133.01457	0.8
133.02905	3.6
134.03746	24.1
135.04550	8.5
137.02391	2.2
137.06073	1.9
139.99380	1.3
145.02931	2.2
147.04489	1.6
149.02443	66.9
149.04372	2.3
149.06049	5.4
149.07079	1.0
150.02832	1.0
151.00327	2.4
153.01942	12.6
160.01662	64.4
161.02451	18.3
163.03973	2.3
165.05571	2.0
166.02701	2.1
167.03502	30.2
168.03812	1.6
168.35574	0.9
173.04521	1.2
173.08191	1.2
175.03999	79.2
176.04393	4.4
177.01920	1.4
177.05516	1.8
178.02654	2.9
179.03511	7.0
187.00360	3.6
191.01862	1.5
191.03500	1.7
191.05528	1.9
193.05052	21.2
203.08247	2.0
209.04584	4.6
217.05037	1.7
221.04579	1.9
223.06024	1.0
228.06335	1.1
233.04424	1.1
235.06012	1.2
239.16438	1.8
245.09262	3.0
269.37582	0.9
282.91263	1.0
311.07779	1.4
323.07758	6.5
329.08707	1.3
337.09354	8.7
338.09659	1.4
389.16006	1.6
426.06415	0.9
461.10489	1.7
505.13538	91.5
506.13956	13.6
547.14581	4.0
548.14575	1.2
624.11060	1.0
667.18756	100.0
668.19153	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	667.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02940	2.1
59.01377	11.7
61.98823	2.3
63.00813	1.3
63.28167	1.8
67.32501	1.5
69.02836	1.4
69.98507	4.8
71.01389	7.0
74.02457	6.4
79.05520	6.7
81.03445	6.0
83.01374	2.5
85.02953	7.9
89.02441	2.8
93.03451	3.6
96.14368	1.8
98.20628	2.7
98.82276	1.6
101.02412	3.7
105.03473	15.6
107.05076	1.9
108.02136	1.7
113.02438	3.6
114.05476	1.7
116.05034	2.0
119.04977	1.8
121.02949	2.4
122.03734	3.8
123.04537	67.8
124.04848	1.9
125.02442	4.7
129.01848	1.9
131.07077	4.5
132.02180	10.2
133.02896	5.9
134.03743	24.9
135.04520	12.3
137.02420	5.0
138.18504	1.7
145.02850	2.1
147.04530	4.0
149.02448	61.2
149.04384	3.6
149.06070	4.5
150.02757	2.4
151.03970	3.0
152.01175	1.7
153.01910	4.4
160.01675	54.0
160.03038	2.9
161.02477	16.9
163.03932	3.5
165.05522	4.1
167.02174	2.2
167.03500	28.7
167.04900	2.0
168.03775	2.0
173.04546	2.6
173.08203	2.4
175.04002	73.8
176.04420	1.5
177.01923	1.8
177.05566	3.4
178.02667	4.0
179.03529	9.0
187.00302	4.2
190.10115	1.4
191.03548	2.0
191.05618	3.7
193.05072	22.5
194.05484	1.9
203.08228	6.3
209.04515	4.5
219.26665	1.6
221.04524	3.1
223.06223	1.9
227.05693	1.8
242.08139	2.6
245.09369	16.0
255.02919	1.7
266.48364	1.5
283.15436	1.8
311.07620	3.6
323.07800	7.9
337.09207	7.7
388.03772	1.6
419.11642	1.8
452.11044	1.6
458.11496	1.6
461.14258	2.5
493.11789	1.8
505.13562	97.3
506.13757	11.3
547.14368	3.0
581.16669	5.5
667.18591	100.0
668.18915	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	667.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68525	0.6
52.80764	0.6
53.98866	0.5
57.03443	3.8
59.01382	3.0
65.17825	0.6
67.24432	0.6
69.17416	3.6
69.17838	2.7
71.01369	1.1
74.83505	0.6
75.00864	1.1
81.03466	5.3
83.01356	3.8
84.02193	0.7
85.02950	25.7
87.00882	0.8
89.02448	1.2
93.03455	1.8
95.01360	0.9
95.05043	7.5
97.02937	1.8
99.04530	1.8
111.00879	2.3
111.04513	0.7
115.00391	0.7
119.05022	9.0
121.02950	2.8
122.03731	0.7
123.04517	10.0
125.02433	11.6
125.63632	0.6
129.01950	3.0
135.04500	2.1
137.02457	1.8
137.06087	10.8
139.04019	1.7
141.68286	0.6
147.02988	4.8
149.02505	0.7
149.04559	2.4
149.05919	0.7
151.04008	0.9
155.03496	1.6
163.00354	0.7
163.02750	1.0
163.04025	11.1
165.01941	0.6
165.05553	3.5
167.03499	35.9
168.03831	1.8
173.00861	1.1
173.04506	1.1
173.59984	0.5
175.60036	0.6
179.03481	6.8
180.03856	0.7
180.86084	0.6
181.05084	2.2
191.01981	11.3
191.05611	10.4
192.05933	1.9
193.04993	1.3
197.04578	1.8
206.02216	0.7
209.04547	100.0
210.04890	5.9
210.60349	0.6
221.04559	3.0
239.05621	22.0
251.05586	0.9
289.07166	0.6
295.53586	0.6
302.60645	0.6
302.79776	0.7
311.07666	2.1
312.07959	0.7
313.05579	8.4
313.30328	0.7
314.05777	1.5
315.89914	0.7
329.08768	41.2
330.09183	2.9
337.09308	5.2
353.08701	0.8
407.07425	0.8
483.17081	0.6
606.45288	0.7
667.13477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
57.81430	0.3
59.01378	2.9
59.58115	0.3
60.99309	0.9
66.91995	0.3
67.01888	4.4
69.03467	0.8
71.01395	2.4
71.30179	0.4
73.02969	0.4
81.03461	0.7
83.01405	0.4
83.05036	1.1
85.02941	5.4
87.00861	4.4
89.02470	0.7
93.03458	27.5
93.55672	0.3
94.03783	0.6
97.46239	0.3
98.73785	0.3
99.04527	0.5
101.02454	0.5
109.02956	1.3
111.00829	0.4
111.04525	4.7
111.61174	0.3
113.02466	0.7
114.47077	0.3
119.05023	13.1
120.05373	0.7
123.04520	1.2
127.04037	1.4
129.01953	1.1
137.02480	2.1
137.03337	0.4
145.02980	1.1
148.79037	0.3
155.03529	2.1
163.04008	14.5
164.04364	0.5
167.03493	5.4
173.04544	54.1
174.04848	2.0
191.05603	100.0
192.05931	3.7
198.69887	0.3
199.81252	0.3
232.05789	0.3
255.37636	0.3
329.08612	0.6
337.09259	53.7
338.09586	4.4
484.60056	0.4
488.10199	0.4
492.62442	0.3
558.95911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
56.11148	0.7
57.03452	13.5
59.01376	7.4
61.98532	1.2
61.98830	15.2
69.03483	0.7
71.01384	6.6
71.02849	1.4
71.03231	1.4
72.39226	0.6
72.99306	2.2
73.02939	2.6
75.00879	1.1
83.01392	4.8
84.02172	1.4
85.02952	100.0
86.03286	1.9
86.81550	0.7
87.00876	1.9
88.98807	2.4
89.02452	2.0
93.03444	2.1
96.96008	8.0
97.02901	0.7
101.02447	2.3
111.00884	12.1
112.87014	0.7
113.02461	1.3
116.92852	3.6
117.01931	1.5
117.92838	1.2
118.92655	1.7
119.03532	1.8
119.05053	0.9
121.02959	26.2
122.03448	0.7
123.04535	1.6
125.02477	1.1
129.01944	31.9
130.02251	1.3
130.08699	0.9
131.05042	1.0
133.06590	2.8
134.03761	0.8
135.04518	3.1
137.02437	2.4
145.01408	1.0
145.02979	1.1
147.03011	3.1
149.02409	1.9
149.06021	1.0
151.03935	1.0
152.01164	1.0
159.04483	1.0
161.02444	0.9
161.06068	2.2
163.04002	1.4
164.04765	1.1
167.03487	2.1
173.00902	11.8
173.04623	1.4
174.03247	1.0
179.03488	1.6
189.05609	4.8
191.01924	0.9
191.05595	2.0
193.04973	1.2
208.03706	1.4
209.04581	0.9
223.06131	4.8
251.05405	5.8
256.99887	1.4
264.07962	0.7
267.06589	2.0
279.06680	1.9
282.08942	0.9
295.04410	6.4
300.02661	0.9
304.96326	0.7
323.05539	1.6
323.09164	1.6
338.07806	1.5
341.10403	4.3
353.10281	8.2
354.10602	1.5
371.11261	1.4
409.12994	1.0
421.12668	1.0
483.13589	1.1
501.14078	2.9
545.14050	0.9
577.11450	1.0
581.26294	2.2
623.27179	1.9
667.15161	1.1
667.26361	3.7
667.38733	5.3
668.23883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41510	0.8
59.01389	4.0
61.98817	0.9
64.12698	0.9
70.01466	0.7
71.01393	1.2
71.53711	1.0
81.64603	0.8
83.01383	2.4
85.02947	4.7
90.72912	0.7
93.03443	1.0
95.05038	0.9
96.95984	1.2
99.66268	0.7
101.02442	1.0
107.01395	2.2
108.02179	3.7
109.02929	1.2
121.02959	3.2
123.04562	5.1
125.02465	4.6
129.01935	1.0
131.07144	5.1
133.02928	1.3
134.03754	2.5
135.04501	1.8
137.02466	1.4
148.18121	0.7
149.02429	1.9
149.06050	0.9
150.03194	0.8
151.00357	1.8
151.04005	1.0
152.01151	7.0
160.01663	5.3
161.02469	2.2
163.03998	2.7
166.02859	0.9
167.03493	17.7
167.04897	1.1
168.44495	0.7
173.08220	2.5
175.04027	8.2
177.05531	1.0
178.99800	0.7
179.03468	3.4
191.02007	0.8
191.03598	1.5
191.05650	1.6
193.01404	2.8
193.05049	3.4
193.37953	0.7
205.01447	1.1
205.05135	0.8
207.03035	1.4
209.04503	5.3
217.01570	0.8
219.03099	1.5
221.04558	2.1
235.02455	6.2
239.05589	2.2
243.03055	1.0
247.00024	0.7
255.03018	1.4
265.03537	6.4
271.02457	3.5
285.04004	0.9
300.02808	6.9
301.03323	3.5
313.03534	1.0
314.04181	1.0
315.05045	0.9
323.07922	0.9
327.05072	2.3
328.05637	3.2
337.09387	5.4
341.03018	1.4
341.06705	1.9
342.07407	3.1
343.11597	0.9
353.03021	0.9
355.04559	8.9
356.05222	1.6
357.06097	4.3
367.04501	1.2
369.06076	9.2
370.06970	5.7
381.06183	2.5
383.07712	1.0
385.05667	2.7
397.05643	4.0
398.06189	1.2
399.07358	1.6
402.05780	1.9
411.07007	1.7
415.06818	2.0
427.06653	13.2
428.06982	2.0
429.08347	1.3
439.06708	2.1
449.10742	1.6
457.07755	22.8
458.08054	2.7
469.07855	3.3
487.08865	10.5
488.09256	1.7
499.08792	1.7
505.13953	14.0
506.14069	1.2
529.09790	1.2
547.10938	14.7
548.11328	1.9
559.10339	1.2
577.11737	6.3
578.12518	1.3
591.98938	0.8
649.14417	4.3
667.15173	100.0
668.15344	16.1
685.84601	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.8
60.01714	0.4
61.01804	0.4
61.98829	100.0
63.12407	0.2
63.37203	0.1
67.84033	0.1
71.01394	0.4
71.55339	0.2
73.02942	0.2
74.05637	0.2
82.81840	0.1
83.05046	0.3
85.02966	0.6
88.98824	0.2
89.02452	0.2
93.03464	0.2
101.02471	0.2
105.56310	0.1
113.02428	0.2
125.96001	0.2
137.02446	0.3
150.03165	0.2
151.03973	0.1
165.05574	0.3
173.04639	0.3
180.95476	0.2
191.05609	1.0
209.11510	0.1
232.03369	0.1
284.88031	0.1
304.11548	0.1
327.12396	0.3
328.12836	0.2
329.13004	0.2
339.12640	0.3
340.12787	0.3
341.12888	0.2
371.11340	0.3
372.11942	0.2
649.35681	0.2
666.48627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79703	0.2
61.98829	100.0
62.10712	0.2
64.79262	0.2
71.54300	0.2
73.48078	0.2
75.23378	0.2
77.62519	0.2
106.08731	0.2
171.10143	0.3
181.05165	0.5
183.05684	0.3
262.41885	0.2
277.21811	0.3
315.67999	0.2
360.45160	0.3
363.55109	0.2
398.92023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03452	0.6
58.00594	1.3
59.01379	31.2
71.01383	19.1
71.53477	0.6
72.99299	1.7
73.02932	0.8
82.68176	0.3
83.01370	1.2
85.02951	4.0
87.00876	1.4
89.02444	22.2
95.01373	1.6
99.00894	0.4
101.02441	13.3
106.94133	0.4
113.02451	8.2
116.20365	0.3
119.03499	9.6
127.23881	0.4
131.03528	0.5
143.03505	1.2
149.04573	0.4
161.04576	0.9
177.00482	0.3
179.05602	0.8
191.05608	1.9
281.87170	0.4
323.13452	100.0
324.13809	6.4
343.09418	0.4
383.11905	0.4
396.54904	0.3
428.34122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64440	0.5
57.03455	0.6
59.01381	100.0
60.01723	1.1
61.98841	2.0
65.31371	0.5
69.71030	2.9
71.01384	4.8
73.02964	1.5
76.96954	0.5
82.69093	0.5
83.01430	0.9
85.02967	3.2
87.00883	0.9
89.02470	0.8
96.96011	0.5
98.20615	0.9
101.02473	2.1
111.13426	0.5
111.68330	0.5
113.02449	1.4
116.92830	0.5
119.03604	0.5
119.05019	0.6
121.18704	0.4
123.00835	0.7
129.01991	1.1
133.01450	0.8
133.05043	2.8
136.01669	15.1
147.04541	0.8
148.05331	0.5
149.02507	0.7
151.04010	33.9
152.04425	1.3
158.03737	1.1
159.04561	0.9
160.05310	2.9
161.02702	0.5
161.04623	2.8
161.05984	0.8
164.04826	2.3
173.04744	0.5
173.06157	1.2
175.07635	5.4
177.05539	3.8
178.06395	2.1
189.05707	0.9
190.06456	1.0
191.05661	1.1
192.08012	0.5
193.08737	1.7
198.10019	0.5
203.98692	0.5
223.13512	0.8
267.12469	0.8
288.71332	0.5
297.11429	0.8
315.12396	0.9
327.12344	1.2
345.13614	0.6
365.17010	0.5
375.14252	0.5
375.97116	0.5
392.86331	0.5
395.33871	0.6
398.17303	0.5
413.19690	58.7
414.20090	8.7
415.16275	1.6
425.19672	2.3
443.20786	7.9
444.21576	1.3
552.19995	0.5
621.31152	4.7
665.27856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53532	0.7
59.01379	76.9
61.98829	1.0
71.01375	3.3
71.92345	0.7
73.02932	6.7
76.85794	0.7
79.89168	0.7
85.02947	3.6
89.02437	2.1
93.03460	0.7
98.19834	1.0
101.02431	2.2
103.04019	6.4
107.06992	0.6
109.02910	0.9
113.02421	2.1
113.40806	0.7
119.03558	0.8
121.02946	2.4
128.90221	0.7
129.01915	1.5
137.02417	1.5
145.02940	1.2
149.02446	0.7
151.00426	1.3
151.03987	1.3
152.04614	0.7
166.02708	4.2
175.03970	4.3
180.92072	0.7
181.05037	5.9
190.06384	1.7
191.05635	2.3
203.07133	1.0
222.05234	2.1
232.37749	0.7
239.07082	0.8
249.05580	1.1
251.07127	1.6
253.08572	1.4
261.05591	1.3
263.07086	2.7
268.10944	1.0
269.08099	4.3
278.09692	0.8
279.06567	2.6
281.08096	5.2
282.08701	1.2
283.09952	1.3
291.06619	2.3
292.07419	1.0
293.08090	2.0
294.08945	3.3
296.10529	1.9
297.07687	17.8
297.11108	1.5
298.07913	0.8
307.09454	1.1
308.10587	3.0
309.07660	26.4
309.11304	9.3
310.07968	2.8
312.10025	20.6
313.10361	2.0
323.09186	7.0
324.10001	21.9
325.10416	1.6
326.11362	1.0
327.12360	100.0
328.12677	7.4
338.11264	0.9
339.12350	90.6
340.12711	8.8
357.13257	1.3
387.10815	1.4
402.12799	0.8
417.15622	9.4
443.20795	0.8
561.29285	2.3
579.30334	2.3
665.25189	5.3
666.24969	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.4
67.78632	0.1
68.30399	0.2
69.03467	0.2
71.01383	0.7
71.54449	0.3
73.02938	0.3
78.41222	0.2
85.02952	6.2
86.03277	0.3
87.00854	1.0
89.02465	0.6
93.03459	2.2
97.80524	0.2
109.02957	0.6
111.04502	0.8
125.02502	0.2
127.04016	1.6
131.03497	0.4
133.02971	0.7
135.04561	1.6
143.33247	0.2
149.04555	2.8
161.02449	2.4
163.04025	0.2
171.02966	0.5
173.04559	1.2
176.95148	0.2
179.03531	1.4
184.99388	0.2
191.05609	100.0
192.05942	3.3
193.03552	0.3
239.16417	0.2
298.40778	0.2
311.07733	0.9
353.08746	23.0
354.09113	1.9
357.09808	0.2
388.74933	0.2
487.78323	0.2
501.24615	0.2
518.04523	0.2
573.20569	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07394	0.5
56.75712	0.6
57.03449	0.7
59.01380	71.4
68.99842	0.8
69.03474	1.5
69.51873	3.9
70.54692	0.5
71.01380	7.1
73.02946	2.1
79.01901	0.9
81.03497	1.0
83.01400	1.5
84.16647	0.5
85.02950	15.7
87.00890	0.9
89.02454	1.6
93.03471	2.1
95.01391	12.7
97.03001	0.7
99.00903	1.4
101.02425	5.7
107.05020	0.7
108.01572	0.6
108.02175	38.1
109.02953	100.0
110.03281	3.8
113.02430	4.0
123.00892	9.8
123.04514	0.7
125.02456	0.6
133.02988	0.8
135.04533	7.4
137.02448	1.1
149.04535	3.1
151.03999	5.7
159.03021	0.6
161.02542	1.2
161.04541	2.4
164.52426	0.6
166.99908	0.8
173.04483	1.1
179.03479	7.3
182.09381	0.5
191.05598	9.7
203.05585	7.5
221.10287	9.1
222.10626	0.8
246.73898	0.5
253.07114	2.7
263.11334	6.1
263.46085	0.6
307.08295	2.1
311.07635	1.0
313.05545	1.0
313.09271	21.5
314.09500	1.7
323.13409	0.8
353.08740	6.6
389.52798	0.5
443.19464	1.3
509.75110	0.5
601.73138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53532	0.7
59.01379	76.9
61.98829	1.0
71.01375	3.3
71.92345	0.7
73.02932	6.7
76.85794	0.7
79.89168	0.7
85.02947	3.6
89.02437	2.1
93.03460	0.7
98.19834	1.0
101.02431	2.2
103.04019	6.4
107.06992	0.6
109.02910	0.9
113.02421	2.1
113.40806	0.7
119.03558	0.8
121.02946	2.4
128.90221	0.7
129.01915	1.5
137.02417	1.5
145.02940	1.2
149.02446	0.7
151.00426	1.3
151.03987	1.3
152.04614	0.7
166.02708	4.2
175.03970	4.3
180.92072	0.7
181.05037	5.9
190.06384	1.7
191.05635	2.3
203.07133	1.0
222.05234	2.1
232.37749	0.7
239.07082	0.8
249.05580	1.1
251.07127	1.6
253.08572	1.4
261.05591	1.3
263.07086	2.7
268.10944	1.0
269.08099	4.3
278.09692	0.8
279.06567	2.6
281.08096	5.2
282.08701	1.2
283.09952	1.3
291.06619	2.3
292.07419	1.0
293.08090	2.0
294.08945	3.3
296.10529	1.9
297.07687	17.8
297.11108	1.5
298.07913	0.8
307.09454	1.1
308.10587	3.0
309.07660	26.4
309.11304	9.3
310.07968	2.8
312.10025	20.6
313.10361	2.0
323.09186	7.0
324.10001	21.9
325.10416	1.6
326.11362	1.0
327.12360	100.0
328.12677	7.4
338.11264	0.9
339.12350	90.6
340.12711	8.8
357.13257	1.3
387.10815	1.4
402.12799	0.8
417.15622	9.4
443.20795	0.8
561.29285	2.3
579.30334	2.3
665.25189	5.3
666.24969	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01381	3.0
67.01886	2.7
69.03466	1.2
70.06020	2.4
71.01382	5.8
73.02933	3.8
81.03477	1.0
83.05013	0.8
85.02961	6.9
87.00861	5.8
89.02451	19.9
93.03461	25.2
101.02477	0.8
103.03996	1.3
105.01936	2.1
107.05041	1.5
109.02987	2.2
111.00875	1.0
111.04507	5.4
119.05034	9.5
125.02527	0.9
127.04018	1.5
131.03513	4.7
133.02959	2.2
134.03767	4.2
135.04529	86.6
136.04849	3.2
137.02460	5.4
139.55804	0.8
147.03012	0.8
149.04558	94.3
150.04913	2.4
155.03513	4.6
158.19040	0.7
161.02403	6.4
161.04634	0.8
163.04013	13.1
165.04044	12.1
173.04549	100.0
174.04887	2.9
179.03500	81.1
180.03816	3.0
191.05606	52.0
192.05968	1.6
200.80043	0.8
261.66083	0.9
269.07965	0.9
311.07721	34.0
312.08002	2.3
335.84091	0.7
353.08771	97.1
354.09207	9.1
603.05591	0.8
665.18378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60330	0.4
59.01379	9.6
60.12829	0.4
65.36112	0.4
73.26512	0.4
77.03973	0.5
83.01378	0.6
85.02950	0.5
85.06583	3.0
96.96017	2.7
97.02904	0.5
98.27477	0.4
105.03412	0.6
107.01357	0.5
109.02944	1.5
113.06100	3.4
119.05006	0.6
121.02963	1.6
125.02419	1.4
131.07135	24.6
131.52058	0.4
132.07443	0.8
133.02943	10.9
133.03893	0.6
135.04517	1.7
137.02451	0.8
138.02000	0.5
147.04494	1.3
149.02411	1.4
149.04480	0.6
151.00398	0.6
157.59097	0.4
158.89348	0.4
161.02455	1.5
163.00328	1.4
163.04062	2.7
165.01936	1.9
173.02396	0.5
173.08183	11.3
174.08536	0.8
175.03983	2.3
177.01843	0.6
179.03481	0.5
186.18085	0.4
191.03462	1.9
191.05594	2.9
193.01410	1.6
199.03952	1.6
201.01920	1.2
211.03960	0.8
212.04836	0.4
212.79739	0.5
213.05544	1.2
225.05547	1.1
227.03485	0.6
229.01544	0.6
240.04190	0.7
241.04915	1.0
253.05069	1.3
255.03004	1.0
255.06602	0.7
256.03668	0.5
257.04547	0.5
263.62399	0.4
269.04501	1.1
270.05038	0.5
271.06213	0.7
284.03250	8.4
285.04016	7.2
286.04810	0.4
297.00705	0.8
297.04034	16.7
298.04752	8.4
299.05594	18.9
300.05902	1.5
309.04099	0.7
311.05563	2.3
324.02878	0.6
325.03482	1.2
327.05075	100.0
328.05429	8.7
339.05084	3.7
341.06735	1.4
352.33981	0.4
357.06140	26.7
358.06473	2.4
369.06000	2.3
370.10266	0.5
393.06168	0.9
447.09293	96.3
448.09634	11.5
608.26050	0.4
665.24139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
55.07201	0.5
57.03448	3.1
59.01386	2.8
59.17151	0.5
61.98831	5.0
64.63866	0.6
67.01885	0.7
69.03438	0.5
69.93181	2.4
71.01380	2.7
72.99302	1.2
73.02942	0.9
83.01386	9.1
84.02151	0.7
84.32905	0.5
85.02951	25.6
87.00842	0.8
88.98776	0.8
89.03952	2.5
93.03445	1.3
96.95995	1.4
99.00893	1.1
108.02133	1.1
109.02962	1.0
111.00881	19.3
115.05510	0.5
117.03465	6.2
119.05020	1.2
121.02956	27.9
122.03345	0.5
123.04531	1.4
125.02458	1.5
127.00434	0.6
129.01952	12.6
130.02303	0.7
131.05000	2.7
132.02213	2.5
133.02954	2.1
133.06586	9.9
134.03741	77.8
135.04115	2.1
137.02448	6.5
139.04008	1.8
143.04987	0.8
145.02924	0.9
147.02948	1.0
147.04491	0.6
149.02419	1.0
149.06087	12.0
150.03212	1.0
150.06577	0.8
154.99870	2.0
155.10843	0.6
158.03709	0.6
159.04482	1.9
160.01666	14.4
161.02475	2.5
161.06082	17.4
162.03198	1.3
162.06314	0.8
163.04057	0.7
167.03453	0.7
173.00858	1.4
173.05981	0.9
173.75423	0.5
175.04002	19.2
176.04451	0.7
178.02687	15.1
179.03291	0.6
189.05553	10.2
190.05927	0.5
191.01967	1.9
191.05598	0.9
193.05048	100.0
194.05379	5.5
195.12465	0.5
200.04680	0.7
202.06386	1.5
205.05072	0.7
205.68665	0.6
213.37476	0.5
215.07123	0.7
217.05145	1.1
217.08664	3.2
218.05759	2.8
223.06032	1.6
233.04631	2.8
233.08170	8.3
238.00626	0.5
243.06551	1.2
243.38039	0.5
251.05493	1.1
261.05002	1.0
261.07663	15.6
262.08051	0.9
277.03464	0.9
287.05832	0.6
305.06586	3.4
322.93033	0.6
323.07831	1.5
349.05679	1.4
476.63248	0.6
520.52515	0.6
665.35974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
64.91311	0.3
71.54589	0.4
72.99995	0.3
79.69392	0.3
108.32595	0.3
139.78600	0.3
484.90622	0.3
628.24200	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	663.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01715	1.0
61.98837	0.7
69.49348	1.4
71.01378	0.5
82.95806	0.2
89.02432	0.5
98.19894	0.4
101.02430	0.3
101.06116	0.4
104.81170	0.2
106.74291	0.2
116.31322	0.2
116.92848	0.4
119.05029	2.7
119.05821	0.2
121.02974	0.8
125.02427	0.2
125.82626	0.2
144.77243	0.2
145.02963	0.3
163.03996	1.8
175.04028	0.7
179.10730	0.2
190.06340	0.2
191.05681	0.4
193.44066	0.2
222.05418	0.4
253.08658	0.4
261.05750	0.2
263.07266	0.6
269.08182	0.4
279.06711	0.4
281.08234	1.2
282.08862	0.2
291.06857	0.5
293.08505	0.6
294.09198	0.3
296.10666	0.4
297.07718	3.2
297.11093	0.5
298.08185	0.4
308.10583	0.6
309.07831	4.6
309.11377	1.1
310.08206	0.6
312.10043	4.2
312.13501	0.3
313.10434	0.4
323.09421	1.0
324.09995	4.0
325.10593	0.4
327.12354	17.2
328.12750	1.5
339.12344	16.7
340.12662	1.6
531.19739	0.2
663.23395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.1
61.91933	0.1
61.98827	100.0
62.58116	0.1
71.53977	0.1
167.00293	0.1
171.85172	0.1
233.23268	0.1
278.22180	0.2
395.31534	0.1
469.44055	0.1
628.21771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26224	0.4
53.45508	0.4
57.03449	43.0
58.03787	0.6
59.01378	2.4
59.80523	0.4
61.98822	1.0
66.74439	0.4
71.01391	1.6
81.03455	1.4
83.01394	0.9
84.02216	0.4
85.02947	4.4
89.02447	0.7
93.03450	1.2
95.01408	0.6
96.96008	2.0
99.04516	27.8
100.04887	0.6
101.02441	12.8
108.02179	1.6
109.02942	0.8
111.00861	0.5
113.02467	0.9
121.02953	3.0
122.03735	1.4
123.00907	0.7
123.04489	0.9
124.01678	0.6
125.02450	20.9
126.02733	0.6
129.01979	1.1
134.03732	1.2
135.04530	4.0
136.01659	57.0
137.02493	2.4
141.53355	0.4
143.03496	1.2
145.08713	1.0
149.02444	0.7
149.06078	0.7
149.99684	0.4
151.04002	83.0
152.04346	3.3
153.05542	0.5
154.02744	0.5
159.04504	0.9
160.05264	1.1
161.02394	0.6
161.04593	0.9
161.06035	0.8
162.03186	0.9
163.04004	1.5
166.02634	0.5
173.00821	0.5
175.03967	1.1
175.07587	1.3
177.05557	1.1
179.03461	2.5
181.05060	0.6
187.09787	0.6
189.05508	0.5
191.01881	0.5
191.05615	1.1
197.04630	0.7
201.91405	0.4
204.37379	0.4
276.95627	0.4
279.06458	0.5
327.12396	0.9
335.07611	1.4
342.11005	4.8
357.13409	100.0
358.13760	9.2
492.38028	0.5
501.17722	1.6
502.18140	0.6
519.18475	1.4
559.26971	0.5
578.08704	0.4
663.23663	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	663.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
56.94412	0.5
57.03450	6.1
59.01381	100.0
60.01725	1.9
66.19222	0.7
71.01389	9.3
71.54511	1.1
73.02962	3.7
83.01396	2.6
85.02956	5.7
89.02471	2.8
93.03487	1.0
95.01431	0.7
96.96048	0.8
99.00889	1.5
101.02438	10.4
109.02956	0.9
111.26267	0.6
113.02457	4.9
121.02979	4.8
123.04488	0.6
125.02497	1.2
129.01968	0.8
132.71260	0.6
134.03767	1.8
135.04480	0.8
159.03059	1.0
161.04617	3.5
163.04044	1.3
167.03506	1.0
179.05644	1.6
179.07129	25.8
180.07474	1.2
183.10281	1.3
191.05685	1.9
193.05119	2.9
206.08286	1.4
219.38678	0.6
235.11871	22.1
235.14128	1.2
277.12952	10.5
311.11276	1.2
325.13406	0.7
331.13998	1.4
339.05246	3.2
340.15659	1.0
341.12369	4.7
341.16104	1.7
471.09665	1.4
513.10938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61858	0.7
52.99408	0.5
54.38056	0.6
55.61064	0.5
56.61515	0.6
57.03448	68.3
58.03795	0.7
59.01380	7.0
62.43616	0.6
69.64384	0.5
70.82545	0.5
71.01389	1.4
71.54683	0.6
81.03452	2.1
83.01382	1.0
85.02957	0.6
88.98811	0.6
89.02463	1.1
99.04517	58.1
100.04877	1.4
101.02444	19.0
109.02954	0.7
113.02457	0.8
121.02937	3.2
125.02446	38.1
126.02795	1.2
132.19334	0.5
143.03465	1.6
145.02948	1.4
147.04497	1.1
161.04538	0.7
163.03976	1.2
175.03992	5.4
190.06337	2.5
191.05586	0.9
222.05284	3.3
225.05624	0.7
237.09091	0.7
239.07060	1.0
246.06754	0.6
249.05447	0.7
251.07065	2.0
253.08829	2.9
261.05444	1.6
263.07086	2.6
264.07715	0.7
265.08820	0.9
267.06564	1.9
268.11243	0.9
269.08212	5.5
278.09253	0.7
279.06631	4.1
280.07202	0.6
281.08163	8.3
282.08801	1.1
283.09650	1.7
291.06668	2.1
292.07382	1.5
293.08197	3.9
294.08954	4.4
296.10562	2.2
297.07681	23.3
297.11017	1.6
298.08084	1.5
307.09732	1.4
308.10480	3.1
309.07672	37.9
309.11255	9.2
310.08109	4.2
311.09122	1.4
312.06357	1.1
312.10031	20.6
313.10458	2.4
323.09204	7.9
324.10007	28.5
325.10440	2.2
327.12357	100.0
328.12720	10.3
339.12341	94.9
340.12708	11.0
340.16653	0.5
357.13361	2.0
385.78745	0.6
663.22986	4.7
664.24274	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34638	0.4
53.74127	0.4
57.03449	51.2
58.03791	0.5
59.01375	4.3
61.98825	1.8
71.01376	2.2
71.55048	0.5
81.03448	1.1
83.00903	0.5
83.01354	0.9
84.02135	0.5
84.84097	0.4
85.02953	1.6
89.02452	1.0
93.03461	0.8
95.01402	0.7
96.96018	1.3
99.04517	37.1
100.04852	0.8
101.02444	12.9
102.02751	0.4
108.02206	1.0
109.02991	1.1
112.87930	0.4
113.02411	1.2
119.04967	0.6
121.02963	3.6
122.03750	1.7
122.10817	0.4
123.00874	1.1
124.01659	0.9
125.02444	25.2
126.02768	0.7
129.01952	0.5
132.60950	0.4
134.03783	0.9
135.04568	1.0
136.01659	44.6
137.02516	4.4
143.03474	1.1
148.04025	1.4
148.05968	0.4
151.04001	61.4
152.04301	2.5
159.04498	0.8
160.05315	0.9
161.02412	1.1
161.04596	1.1
162.03186	0.7
163.04037	3.1
171.10301	0.6
173.04497	0.6
175.04082	1.0
175.07599	0.9
176.70789	0.4
177.05577	1.4
179.03500	1.1
191.05614	2.0
193.05052	0.7
201.11322	0.9
259.35443	0.4
273.12332	0.9
283.06253	0.6
283.10440	0.5
291.13306	0.8
295.10971	0.5
311.05655	1.1
327.08807	0.6
342.11066	13.6
343.11365	1.4
357.13412	100.0
358.13766	10.3
371.12537	0.6
382.70352	0.6
399.14661	0.7
501.18411	2.3
663.26624	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	663.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.0
61.98840	0.7
69.03442	0.6
69.23016	2.4
70.30938	0.2
71.01378	5.2
72.47864	0.3
73.02936	1.2
73.50841	0.2
75.00834	0.3
81.03453	0.3
83.01395	0.8
84.02174	1.1
85.02965	1.1
87.00925	0.2
89.02444	6.6
89.96507	0.2
93.03454	1.4
96.96017	0.4
97.02972	0.6
99.00881	1.5
101.02428	1.7
107.99840	0.2
108.02193	1.3
109.02963	0.5
111.04598	0.3
112.98555	0.3
113.02462	1.0
114.05615	0.6
115.03989	0.4
119.05025	100.0
120.05363	3.4
121.02943	1.5
125.02451	3.7
127.50777	0.2
129.30510	0.3
130.04265	0.2
131.03491	1.3
133.06628	0.4
135.04510	0.5
135.11824	0.8
136.01653	1.0
137.02434	1.1
145.02963	0.5
147.04509	0.5
149.04541	3.0
150.03137	0.4
159.04543	0.5
159.18724	0.3
160.05353	0.3
161.06056	0.6
161.09708	0.5
162.03140	0.3
163.04004	69.5
164.04346	2.9
165.01892	0.6
165.05588	0.3
173.04628	0.3
175.03969	0.5
179.10788	4.0
189.05557	0.7
190.06421	0.4
191.03880	0.4
191.05629	2.5
191.07141	0.6
203.10861	0.3
204.04329	0.3
219.06616	0.9
223.09776	0.6
233.06607	3.5
233.78677	0.2
247.09837	0.4
259.25305	0.3
289.10541	0.4
293.08786	5.4
311.09460	0.4
339.08875	0.5
340.09366	1.0
367.14023	2.6
368.14127	0.4
369.09772	7.0
370.09924	0.9
385.12955	1.0
487.19763	3.0
499.18192	1.6
531.18652	5.1
532.19135	0.9
663.22882	16.8
664.23248	3.1
664.32855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	11.3
57.46188	0.3
59.01375	30.9
66.16698	0.3
69.31268	2.1
69.31679	0.9
71.01382	1.0
73.02906	0.4
73.26035	0.3
85.02956	0.6
89.02473	0.3
93.03463	0.4
99.04513	6.3
99.08156	13.7
101.02440	3.3
102.42178	0.3
113.02456	0.6
119.04984	0.3
121.02951	0.7
122.03726	0.6
125.02443	5.7
127.07651	10.6
130.95238	0.4
135.04498	0.5
136.01657	14.2
137.02390	0.5
138.21318	0.3
143.03534	0.4
145.08701	100.0
146.09041	3.5
151.03999	19.7
152.04335	1.1
161.04552	0.6
163.03989	0.6
177.78229	0.3
187.09741	43.5
188.10110	2.2
214.20784	0.4
227.03537	1.4
255.03008	1.6
284.03128	1.7
285.04007	1.6
342.11169	1.0
357.13397	25.3
358.13663	2.3
410.95828	0.4
425.26199	0.3
431.09763	3.0
432.10239	0.5
461.42960	0.4
486.03494	0.4
501.17575	0.7
543.71893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62187	0.9
55.01871	1.3
57.13209	1.0
58.00589	2.3
59.01378	54.5
61.98814	1.2
71.01381	45.1
72.01703	1.3
72.99305	1.9
73.02924	2.3
83.01395	3.1
85.02953	7.2
87.00876	12.1
87.55053	0.9
89.02444	56.1
89.45895	0.9
95.01378	3.2
99.00874	1.4
101.02436	24.6
113.02451	24.5
115.04018	1.3
119.03504	21.1
124.78858	0.9
125.02393	1.2
131.03525	2.4
143.03497	8.0
149.04576	2.1
161.04558	10.0
162.57829	0.9
164.15305	1.1
173.55264	1.1
179.04126	1.9
179.05612	22.6
188.04070	0.9
232.35602	0.9
277.21707	100.0
278.22092	7.6
291.23215	3.2
318.37183	1.0
319.22690	4.0
323.09824	30.6
324.10138	2.3
341.10867	65.9
342.11255	3.3
425.18964	0.9
538.96387	1.0
601.32159	18.2
602.32654	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20419	2.7
53.33365	2.5
55.25771	2.3
56.58087	2.2
59.01109	3.6
59.01385	35.2
69.03452	3.5
71.01380	46.7
71.08670	5.4
73.02953	7.9
74.31865	2.5
83.01369	8.2
85.02943	13.0
87.00871	63.5
89.02442	32.0
95.01389	3.2
97.02945	3.4
99.00932	2.8
101.02438	27.1
113.02447	31.9
118.79887	2.4
119.03477	15.0
141.01903	3.0
143.03462	7.3
161.04538	13.7
179.05594	16.7
273.22180	3.3
277.21716	100.0
278.22171	6.9
291.20197	4.3
291.23230	22.3
319.22910	8.2
320.23041	3.4
323.09805	41.9
324.10315	3.2
341.10873	86.3
342.11157	6.4
349.24033	3.8
361.29269	2.9
367.13431	6.5
490.17358	3.2
565.65167	3.2
569.68329	3.0
601.32330	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	661.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.2
59.79631	0.4
67.01884	0.5
69.16779	4.0
71.01378	2.0
73.02940	0.5
81.03458	0.4
83.01402	0.4
85.02945	4.2
87.00880	0.8
93.03453	2.8
95.01392	1.8
101.02469	1.1
107.05028	0.7
108.02179	0.8
109.02952	1.5
110.11954	0.4
111.00888	0.5
113.02460	0.6
123.00888	22.2
123.04606	0.4
125.02454	0.9
127.03989	0.7
133.02989	0.5
135.04518	5.0
137.02419	1.2
138.03233	31.3
139.03917	0.9
148.91261	0.4
151.03981	0.5
153.05571	14.7
154.05910	0.6
155.03500	0.6
161.02390	1.0
161.04518	0.7
165.01941	0.4
166.99834	10.0
173.04518	4.2
179.03487	4.3
182.02211	36.6
183.02554	1.6
190.05458	0.5
191.05608	44.8
192.05968	1.3
197.04547	100.0
198.04878	3.7
221.10341	0.5
239.05669	0.7
240.81346	0.5
263.11273	0.6
323.13260	0.8
353.08752	13.0
354.09097	1.1
359.09818	31.0
360.10233	2.5
543.12061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
62.47762	0.2
67.01894	0.4
71.01382	0.9
73.02906	0.2
75.05684	0.2
81.03471	0.3
83.01398	0.2
84.04950	0.2
85.02956	6.3
86.03278	0.3
87.00876	1.3
88.98793	0.4
89.02451	0.3
93.03469	2.6
96.93736	0.2
98.63525	0.2
99.04504	0.4
101.02480	0.4
104.40085	0.2
109.02955	0.6
111.00879	0.4
111.04523	0.7
119.05019	1.0
120.36926	0.2
121.03015	0.2
125.02504	0.3
127.04035	1.3
129.01973	0.2
131.07088	0.2
133.02950	0.9
134.03740	0.7
135.04530	17.1
136.04875	0.7
149.02495	0.2
150.03218	1.4
155.10693	0.5
161.02437	2.9
162.02820	0.2
163.04037	1.0
165.01871	0.5
165.05574	1.7
171.02956	0.5
173.04541	2.0
179.03503	20.1
180.04027	0.8
191.05611	100.0
192.05952	4.3
193.06085	0.5
195.06615	1.9
212.75787	0.2
219.12263	0.4
257.13910	0.7
261.08835	0.3
263.09320	0.3
289.07162	0.5
293.12439	0.9
307.08182	10.3
308.08594	0.7
313.65656	0.2
337.03549	0.3
337.09320	0.2
353.08762	16.3
354.09280	1.5
406.10062	0.3
432.99316	0.2
439.16125	1.6
456.46085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
59.01379	13.0
62.06227	0.3
65.31382	0.3
68.99826	1.1
69.03460	1.0
69.26631	0.4
69.86667	1.7
71.01375	4.0
71.69014	0.3
73.02950	1.0
79.01881	0.7
81.03457	1.3
83.01390	0.9
85.02946	9.9
90.52909	0.3
93.03473	1.0
95.01384	8.9
96.99346	0.3
99.00888	1.3
100.96686	0.4
101.02400	1.8
107.05063	0.6
108.02176	37.1
108.95485	0.4
109.02955	100.0
110.03284	3.8
113.02467	1.1
118.57198	0.3
123.00890	7.7
123.04549	0.9
124.01651	1.5
133.12892	0.4
135.04518	1.0
137.02412	0.7
139.04010	6.7
143.03464	0.5
151.04008	4.3
152.04341	0.5
161.04596	0.8
163.03931	0.4
179.03516	0.6
191.03966	0.3
191.05640	1.2
192.99646	0.7
193.05074	0.8
203.05615	7.1
206.52029	0.4
253.07025	1.7
313.09286	17.4
314.09677	1.3
386.06146	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	661.175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03341	0.2
54.74057	0.2
59.01382	1.6
61.98831	0.4
68.99571	100.0
69.03445	0.3
69.99912	0.5
71.01376	0.8
71.55350	0.3
73.02956	0.4
78.15791	0.3
81.52129	0.3
85.02957	0.6
86.45012	0.2
89.02458	0.4
93.03418	0.3
100.42239	0.2
101.02460	0.3
111.00923	0.3
112.98566	92.6
113.02419	1.3
113.98891	1.0
114.05605	11.1
119.03509	0.2
120.08170	1.2
125.10674	0.3
137.70581	0.2
138.25824	0.3
146.98792	0.2
149.02342	0.3
164.07132	2.0
191.05635	0.4
194.49408	0.3
308.11508	0.2
343.04764	0.2
385.12808	0.5
433.04730	0.2
455.22867	2.0
459.43033	0.2
501.61047	0.3
517.34174	0.3
661.12457	0.5
661.27679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.7
59.01377	2.1
59.40190	0.5
61.98833	3.7
65.03903	0.6
67.01872	0.8
69.96165	0.5
71.01387	0.8
71.54729	0.8
81.03461	4.6
83.01382	4.6
85.02956	2.7
89.02469	0.8
92.11298	0.5
93.03456	1.3
95.01371	0.7
95.05048	6.7
96.96009	0.6
97.02966	2.3
99.04515	1.3
107.05034	0.5
108.02199	1.0
109.02943	1.6
111.04535	1.1
113.02451	0.8
116.05143	0.5
121.02976	2.0
121.80671	0.5
122.03713	1.5
123.04533	14.5
123.72743	0.6
125.02451	13.5
135.04533	2.3
137.02464	2.1
137.06081	8.7
139.04056	3.5
141.05608	1.2
147.04523	0.9
149.02399	1.1
149.06110	0.7
151.00345	0.8
151.03976	1.3
161.06053	0.6
163.03999	1.1
165.01932	1.2
165.05545	2.3
167.03502	37.8
168.03842	1.8
176.08002	0.5
177.05528	1.1
179.03467	5.2
180.04091	0.6
181.05013	1.7
191.03511	1.0
191.05507	0.6
193.05098	2.2
195.06566	0.7
197.04541	2.5
209.04555	100.0
210.04886	4.5
215.03442	0.6
221.04559	4.1
223.06044	1.0
233.04527	0.9
239.05602	20.0
240.05855	0.7
245.09264	1.4
251.05623	25.1
252.05977	1.3
263.05643	1.2
281.06665	17.2
282.07031	1.2
291.56235	0.6
293.06677	1.9
311.07767	7.0
329.08783	26.0
330.09171	1.7
353.08752	1.8
371.09833	10.8
372.10117	0.6
383.10065	1.3
401.11011	1.2
473.13107	0.9
490.15424	0.5
491.13971	7.7
539.14148	1.7
659.17529	3.9
673.59680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.0158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14256	0.3
58.00603	0.3
59.01377	61.3
60.01716	0.4
61.98834	0.4
63.21581	0.3
69.15730	2.4
69.16129	0.7
76.60477	0.3
90.97141	1.1
98.19886	0.8
118.96616	0.8
132.98174	1.3
157.03590	1.6
159.01462	0.4
174.99237	24.3
187.73770	0.4
192.95877	2.6
201.02541	16.0
202.02695	0.8
217.00279	100.0
218.00632	2.5
276.89212	0.3
343.03616	2.0
359.01447	33.3
360.01636	3.3
374.99191	49.2
375.99530	2.3
501.02823	0.9
517.00397	11.4
518.00415	1.3
628.91205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	1.4
59.01379	29.2
71.01394	3.0
71.54843	1.0
73.02960	2.9
75.41711	0.7
83.05027	1.9
85.02961	3.5
87.00872	0.8
91.68004	0.8
93.03461	13.2
101.02460	2.3
107.05056	1.1
108.61115	0.8
109.02940	0.9
111.04545	4.3
113.02473	1.7
121.02972	0.9
125.02469	2.1
129.01988	0.9
133.02969	5.9
134.03772	4.9
135.04527	99.3
136.04866	3.3
137.02426	7.6
155.03525	1.6
161.02448	24.9
162.02823	1.3
163.04001	1.0
167.03476	1.0
173.04585	3.1
179.03502	95.2
180.03865	3.3
191.05612	8.9
206.08211	1.6
218.68964	0.8
230.17146	0.7
235.11838	4.2
277.12964	2.6
291.09314	0.8
335.07709	100.0
336.07932	7.8
367.10513	2.5
390.33929	0.8
542.36523	0.7
657.16626	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91495	1.0
57.03434	3.6
58.00583	3.1
59.01377	67.8
60.12474	0.9
61.98814	3.9
69.36588	5.4
69.37008	1.6
71.01378	48.9
72.99296	3.3
79.89102	0.9
79.95721	1.1
83.01373	3.4
85.02953	16.1
87.00874	3.7
88.98783	2.7
89.02442	66.9
93.03447	1.7
95.01373	3.4
95.34089	0.9
96.96004	3.5
101.02442	23.0
103.25997	1.2
108.02171	35.7
109.02943	3.7
111.00868	1.2
113.02438	17.5
114.30303	1.0
119.03500	25.4
121.02934	1.4
123.04529	20.5
125.02448	9.8
129.01926	2.1
131.03481	2.9
133.02940	1.7
133.06378	1.0
135.04485	4.9
137.02443	2.6
143.03516	5.4
147.02985	1.0
149.04535	2.9
151.03969	3.9
152.01147	68.5
153.01511	1.9
161.02472	4.5
161.04536	8.1
163.00359	1.5
163.03979	1.5
165.01913	1.8
165.05466	1.1
167.03485	100.0
168.03796	2.9
175.04050	1.8
177.01884	6.3
177.05502	2.1
179.03464	3.1
179.05608	29.4
189.01956	1.0
191.01926	3.3
191.05624	3.2
193.04945	1.5
245.08296	1.5
289.07220	5.5
293.72702	0.9
339.04968	1.7
345.15283	2.1
397.84787	0.9
407.07159	1.5
433.38519	1.1
449.08890	1.0
657.24054	41.0
658.24963	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	657.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
59.01366	0.7
70.46281	0.6
71.01384	1.8
73.02938	0.7
83.01410	0.3
85.02949	1.7
87.00917	0.3
92.49653	0.2
93.03453	0.6
95.01398	1.3
101.02454	0.9
101.87225	0.2
108.02173	43.9
109.02975	14.5
113.02450	1.0
121.02994	0.3
123.00891	0.8
123.04538	0.4
133.02937	0.4
134.75414	0.3
151.03967	1.1
152.01151	46.3
153.01944	18.2
154.02293	0.6
163.04001	1.2
165.01915	1.4
181.05061	0.3
191.05553	0.4
193.12366	0.3
207.02905	0.3
225.04033	0.5
295.80530	0.3
315.07208	100.0
316.07516	5.8
402.01721	0.3
417.28250	0.3
593.35974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31768	1.0
50.72221	0.9
55.01877	1.6
57.03442	2.5
59.01381	99.0
61.98832	100.0
67.01865	1.0
68.40522	1.2
69.03434	1.6
70.72712	3.0
71.01389	13.2
73.02924	2.2
83.01388	3.6
85.02948	10.7
86.70731	1.2
89.02441	2.4
93.03450	3.3
95.01388	2.4
96.96017	14.3
97.02943	2.0
99.00868	2.4
101.02444	8.3
113.02471	10.5
114.05602	1.1
115.03943	1.1
116.27238	1.1
125.02423	2.7
131.65874	1.1
131.66888	1.0
135.03119	1.2
135.04521	1.2
136.05247	1.5
137.02481	1.7
143.03555	5.6
150.04384	1.1
150.06830	1.3
151.04066	1.2
156.16873	1.0
161.04588	2.1
173.04527	2.5
191.05617	8.5
209.11745	4.8
211.13351	4.0
225.11304	1.4
253.09502	1.1
279.77527	1.4
299.25818	2.4
313.70328	1.2
345.30042	7.2
441.31912	1.4
445.36990	1.1
489.34354	83.2
490.34467	10.1
507.35394	27.9
508.35941	2.7
549.36487	13.1
550.36591	1.3
656.34540	2.3
657.23627	1.5
657.37897	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	656.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03440	1.4
59.01381	59.4
60.01715	0.7
61.98831	100.0
69.19142	1.3
69.19557	4.9
71.01393	9.6
73.02966	2.4
83.01392	1.4
85.02945	5.9
88.98801	0.8
89.02459	2.0
95.01382	0.7
97.02956	0.8
99.00886	1.0
101.02436	4.4
111.00916	0.6
113.02455	8.0
119.03520	1.0
125.02443	1.1
135.12605	0.6
140.94165	0.5
143.03506	1.4
143.10785	0.7
155.61566	0.5
161.04565	2.8
173.04683	0.8
191.05670	1.8
209.11829	0.9
299.25952	1.3
327.28745	0.7
345.29971	4.9
345.33258	0.5
387.70557	0.6
489.34354	60.9
490.34705	6.6
495.36346	0.7
507.35385	18.0
508.35812	3.0
549.36438	13.7
550.37268	1.3
657.36774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41913	1.0
57.03432	2.7
58.96115	0.9
59.01377	100.0
61.33071	1.0
61.98827	78.5
69.23843	10.0
71.01382	8.6
73.02958	2.9
83.01376	2.1
85.02954	7.0
89.02454	2.1
93.03442	1.8
95.01363	1.4
97.02947	1.0
98.55480	0.9
99.00864	1.1
101.02428	6.9
107.70934	0.9
113.02456	6.5
118.56273	1.1
119.03608	1.0
125.02429	2.5
137.02420	1.2
143.03510	2.1
149.86110	1.1
161.04507	1.0
171.13914	2.1
178.99854	1.4
183.68884	1.0
191.05563	4.6
209.11821	2.6
233.08113	1.4
299.25922	4.3
311.05533	1.5
345.30093	9.3
351.18030	2.9
358.83118	1.0
489.34311	96.0
490.34698	12.3
495.22366	2.2
507.28693	1.1
507.35434	13.3
508.35507	1.7
549.36292	12.1
550.36749	2.1
566.32916	1.6
656.34161	1.3
657.21954	1.1
657.36060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
59.01361	1.1
61.98828	20.6
69.28623	4.9
83.01418	0.9
86.55416	0.6
87.04505	1.9
93.03434	1.2
96.17682	0.6
98.58067	0.6
107.01392	2.1
125.02469	1.4
135.00848	0.9
146.21307	0.6
146.63870	0.7
151.00331	2.3
158.39148	0.6
161.02402	0.6
163.00351	1.4
165.01956	0.6
185.06038	1.2
187.04010	1.5
191.05592	3.3
199.04036	0.9
211.03944	2.1
213.05484	1.4
220.13760	0.6
227.03462	19.9
229.05002	7.9
232.44351	0.6
237.14932	2.2
238.15126	0.8
239.03487	1.2
241.05019	1.3
243.02843	0.6
243.16010	1.1
255.02985	34.2
256.03519	4.9
257.04575	4.0
279.61777	0.7
281.13821	1.1
284.03244	51.3
285.04013	62.9
286.04376	4.1
591.73163	0.7
593.15063	100.0
594.15399	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	656.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.9
60.50370	0.5
61.98830	26.1
65.07550	0.5
71.01379	4.9
71.54998	0.5
73.02960	0.8
83.01379	0.6
85.02946	1.7
89.02445	3.0
93.03451	0.8
95.82064	0.6
96.95971	0.5
98.22166	0.5
101.02462	2.7
113.02466	1.3
117.03449	5.5
119.03468	1.3
125.02446	1.1
131.01375	0.8
131.07198	0.6
144.58887	0.5
149.04596	0.9
158.82878	0.5
161.02463	0.7
161.45963	0.5
163.03969	1.1
165.01839	1.1
167.03329	0.5
173.02441	4.3
175.00363	6.5
179.03516	0.7
191.05620	4.1
195.06635	0.8
209.08183	0.9
225.07698	2.1
235.28653	0.4
239.16591	1.3
239.20926	0.5
249.05481	0.8
254.74254	0.5
265.05026	0.8
269.04498	1.6
281.04562	1.0
282.05255	1.1
283.06036	2.8
293.04556	100.0
294.04861	8.6
295.06125	0.6
311.05530	6.9
313.95801	0.5
323.05740	1.0
327.05087	0.9
335.05499	0.9
341.06659	0.8
413.08755	30.7
414.08878	3.4
435.16486	0.8
450.14990	0.6
472.34689	0.5
473.10699	1.2
593.15100	75.1
594.15381	11.5
682.77295	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.9
60.50370	0.5
61.98830	26.1
65.07550	0.5
71.01379	4.9
71.54998	0.5
73.02960	0.8
83.01379	0.6
85.02946	1.7
89.02445	3.0
93.03451	0.8
95.82064	0.6
96.95971	0.5
98.22166	0.5
101.02462	2.7
113.02466	1.3
117.03449	5.5
119.03468	1.3
125.02446	1.1
131.01375	0.8
131.07198	0.6
144.58887	0.5
149.04596	0.9
158.82878	0.5
161.02463	0.7
161.45963	0.5
163.03969	1.1
165.01839	1.1
167.03329	0.5
173.02441	4.3
175.00363	6.5
179.03516	0.7
191.05620	4.1
195.06635	0.8
209.08183	0.9
225.07698	2.1
235.28653	0.4
239.16591	1.3
239.20926	0.5
249.05481	0.8
254.74254	0.5
265.05026	0.8
269.04498	1.6
281.04562	1.0
282.05255	1.1
283.06036	2.8
293.04556	100.0
294.04861	8.6
295.06125	0.6
311.05530	6.9
313.95801	0.5
323.05740	1.0
327.05087	0.9
335.05499	0.9
341.06659	0.8
413.08755	30.7
414.08878	3.4
435.16486	0.8
450.14990	0.6
472.34689	0.5
473.10699	1.2
593.15100	75.1
594.15381	11.5
682.77295	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99290	0.4
56.55260	0.3
59.01345	0.7
61.98768	14.0
61.99120	1.0
70.87296	0.6
70.87635	0.6
71.01323	0.5
83.07076	0.3
85.02892	1.2
89.02366	0.7
96.95898	0.5
101.02347	0.4
110.00037	0.9
110.57438	0.3
111.00809	0.7
116.32875	0.4
119.04955	1.2
123.04413	1.0
124.28655	0.4
125.02393	0.5
129.01930	0.5
135.04454	1.3
136.98743	0.9
137.02336	0.5
137.99547	0.6
139.00381	2.2
149.02438	4.1
149.99493	0.7
161.02380	0.7
163.03958	0.4
164.98293	6.5
165.99065	2.0
167.03445	0.8
168.81445	0.4
171.04437	0.6
175.00293	1.4
177.98996	0.8
178.02707	0.4
178.99742	0.8
179.03455	0.9
180.00534	0.8
185.02266	0.4
187.03912	0.9
189.01836	0.6
191.01970	0.4
193.04961	0.6
193.98470	0.6
199.03882	1.4
205.98457	0.8
215.03491	1.8
231.02867	0.5
243.02989	2.4
258.17764	0.5
259.02435	1.5
271.02405	1.2
287.01941	6.2
288.02435	0.4
288.19650	0.4
315.01462	36.7
316.01874	3.1
329.02808	0.5
330.03802	52.4
331.04099	4.0
345.06146	100.0
345.88239	0.4
346.06461	8.8
360.09973	0.7
411.25400	0.5
459.12616	0.5
549.13379	0.5
656.24768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.6
59.01392	1.6
70.91457	0.7
71.01368	1.2
73.02942	2.4
75.20506	0.3
81.03465	0.3
83.01386	0.3
83.05030	3.8
85.02956	6.3
85.06592	2.6
87.04495	0.4
89.02459	3.5
93.03461	0.6
95.05039	0.5
97.06611	0.3
98.03741	0.6
99.04511	0.9
99.08169	1.6
109.02963	0.5
109.06580	0.5
123.04545	0.6
123.08165	1.4
125.02466	0.6
131.03502	0.9
134.03764	0.4
135.04547	4.5
135.08130	0.5
137.09720	2.0
139.07675	0.4
139.11275	0.9
149.04556	15.1
149.09735	2.2
150.04918	0.5
151.11298	1.7
153.09221	0.6
155.10745	1.7
161.02402	0.6
163.11276	2.4
165.12833	1.5
167.14458	0.6
169.12340	7.0
170.12529	0.4
173.04498	0.7
177.12837	1.1
179.03500	3.2
179.10782	0.9
181.12286	0.5
191.05658	1.6
193.12366	0.4
195.13902	100.0
196.14250	5.6
209.15523	0.9
213.14978	0.7
237.14951	1.2
255.13310	0.6
255.16020	10.9
256.16403	1.1
257.13904	1.4
259.06146	0.3
289.07178	2.4
299.14990	13.4
300.15332	1.2
311.07712	4.2
421.86523	0.3
482.77887	0.4
493.13278	0.5
557.20270	0.3
655.18494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01155	0.3
51.20362	0.3
53.88276	0.3
59.01374	2.6
69.18565	2.8
71.01379	1.1
85.02947	6.9
87.00876	1.5
88.39745	0.4
93.03458	2.9
99.04559	0.3
109.02939	0.9
111.04508	1.0
120.18951	0.4
125.02457	0.6
127.03997	0.7
132.37796	0.3
133.02959	0.4
134.03691	0.5
135.04515	4.1
137.02478	0.5
139.03990	0.3
161.02425	1.9
171.02849	0.4
173.04538	2.3
179.03517	2.2
191.05603	100.0
192.05968	3.2
195.13826	0.8
220.99826	0.3
221.10376	0.5
251.97713	0.4
289.07202	0.7
341.44128	0.4
350.38077	0.3
353.08765	14.5
354.09113	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66153	0.2
55.01840	0.3
57.03448	6.0
59.01382	1.8
69.03461	0.4
71.01389	1.4
71.25743	0.5
73.02953	2.1
79.29225	0.2
81.03461	0.3
83.05027	3.6
84.32778	0.2
85.02945	6.0
85.06583	2.0
87.00878	0.3
87.04505	0.3
89.02442	2.8
93.03471	0.5
95.05033	0.6
96.89827	0.3
97.02975	0.4
98.03720	0.6
99.04515	1.2
99.08149	1.5
103.04033	0.3
105.96101	0.2
109.02950	0.8
109.06600	0.6
111.08212	0.2
113.86921	0.3
120.23116	0.3
123.04485	0.8
123.08116	1.3
125.02470	0.6
125.06135	0.3
131.03499	0.6
133.02943	0.3
135.04543	4.2
135.08150	0.7
135.45461	0.3
137.02483	0.6
137.09749	1.9
139.07686	0.7
139.11263	1.1
149.04559	13.2
149.09737	2.1
150.04913	0.3
151.03934	0.3
151.11305	2.0
153.02158	0.3
153.09245	0.5
155.10799	1.5
160.36182	0.2
161.02446	0.5
163.11287	3.0
165.01886	0.4
165.12865	1.4
167.14426	0.5
169.12343	7.0
169.13693	0.5
173.04562	0.5
174.04813	0.3
175.03929	0.4
177.12837	1.6
179.03503	4.1
179.05014	0.5
179.10788	0.7
180.03819	0.4
181.12277	0.4
191.05659	1.3
195.13898	100.0
196.14223	5.5
209.15494	0.7
213.14983	0.7
237.14993	1.3
245.08177	0.6
255.16022	11.1
256.16412	0.6
257.13943	2.0
259.06027	0.3
289.07092	2.1
299.14993	14.2
300.15277	0.9
311.07687	4.2
312.08057	0.3
353.08807	0.3
354.09528	0.3
437.12680	0.3
655.17285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01372	0.7
65.00323	0.4
71.01379	0.2
71.53758	0.3
81.03463	2.2
83.01385	1.6
85.02971	0.5
87.00906	0.3
89.02456	0.3
93.03439	0.6
95.05019	0.4
96.95973	0.2
99.04465	0.2
107.01309	0.2
107.05029	0.5
115.89140	0.2
116.92837	0.2
119.05030	1.8
123.04524	21.8
124.04858	0.6
125.02435	4.4
135.04544	0.2
137.02431	1.5
149.02425	0.6
149.04541	0.5
151.00378	1.0
161.04509	0.2
163.04004	2.2
164.04311	0.2
167.03488	100.0
168.03833	3.5
179.03493	0.3
191.03537	0.6
191.05476	0.9
193.12363	0.2
195.13892	2.0
209.04530	1.0
237.39191	0.2
252.22461	0.2
255.15958	0.2
269.06601	0.5
299.15189	0.3
311.07742	0.3
329.08759	18.8
330.09149	1.3
369.46024	0.2
409.83722	0.2
463.11539	0.3
539.27295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53369	0.4
56.04262	0.4
57.05676	0.4
61.98829	100.0
69.19921	4.1
78.84723	0.4
82.47742	0.4
115.13256	0.4
171.83919	0.4
221.28276	0.4
298.91696	0.4
439.74469	0.4
573.99878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
70.73405	1.1
78.27785	0.9
78.95909	9.2
152.99644	5.1
255.23347	5.1
256.23590	3.5
294.07224	1.2
359.10336	0.8
391.22372	1.5
401.85788	1.2
563.33380	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.01376	1.9
61.98809	1.2
65.00317	1.2
67.01888	0.6
69.27285	0.4
69.31017	4.2
71.01378	4.2
72.99325	0.6
79.44878	0.5
81.03466	4.0
83.01373	6.2
85.02959	0.9
87.00878	1.4
87.04514	0.7
88.04848	0.5
89.02457	0.6
93.03465	1.3
95.01411	0.5
95.05018	4.4
97.02958	1.0
99.00874	0.8
99.04520	1.2
105.01945	3.5
105.03440	1.6
107.01382	1.6
107.05039	0.7
109.02975	1.5
115.00373	1.9
119.05016	0.7
121.02953	1.3
122.03747	0.7
123.04531	13.4
124.04861	0.5
125.02442	7.4
127.00377	0.9
129.01996	0.5
135.04549	2.8
137.02449	10.0
137.06091	5.1
139.04008	2.4
144.40602	0.4
145.00398	0.8
145.01443	10.6
147.04630	0.5
149.02460	5.2
151.00348	4.4
151.04060	1.0
155.03439	0.8
161.02457	0.9
163.00418	2.5
163.01582	0.5
163.03993	1.4
165.01923	1.0
165.05527	1.6
167.03500	44.4
168.03889	1.7
177.01889	1.2
179.03500	49.1
180.03857	1.7
181.05067	1.8
190.99763	0.8
191.03529	1.7
193.01414	46.9
193.04935	2.3
194.01814	2.0
195.02992	14.3
196.03214	0.5
197.04524	0.5
205.01439	2.6
206.02203	1.3
207.02989	20.8
208.03415	0.6
209.04556	36.4
210.04889	1.2
211.02409	3.1
219.03017	2.0
221.04546	6.6
223.02507	7.4
224.03166	1.6
225.04059	7.8
235.02495	1.8
237.04126	1.1
237.14958	0.9
239.05615	5.8
249.03937	0.6
251.05482	1.1
253.03558	3.0
265.03625	2.3
277.03558	0.6
295.04520	1.3
313.05652	100.0
314.06024	6.1
325.05643	30.4
326.05948	2.1
329.08804	11.8
330.09094	0.5
341.08737	6.4
489.11270	0.5
535.10748	0.7
565.12091	0.7
655.15057	10.5
656.15479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03430	0.9
58.00586	1.5
59.01381	34.6
61.98819	1.7
64.16972	0.3
65.34763	0.3
69.03439	1.9
71.01380	33.4
72.99296	2.8
73.02950	4.4
75.00865	1.1
77.36342	0.3
81.03455	1.2
83.01383	4.1
85.02955	7.9
85.80752	0.4
86.00105	0.4
87.00874	8.0
89.02444	29.6
91.03989	0.8
92.87543	0.4
95.01397	1.9
95.04993	0.4
97.02950	5.2
99.00883	2.0
99.04494	0.7
101.02440	29.2
102.02753	0.4
111.00887	0.6
111.04536	1.0
113.02455	13.3
115.04005	0.6
119.03494	9.5
121.03026	0.4
124.01638	0.4
125.02443	11.4
127.04040	0.6
129.01935	0.4
131.03484	1.6
133.05040	1.1
139.03967	0.8
141.01901	0.7
143.03500	5.6
149.04570	1.0
161.04565	6.6
167.03479	0.7
171.03038	0.6
179.04140	0.5
179.05623	6.5
185.04561	0.9
199.06017	0.5
217.07115	0.5
219.05241	0.7
221.06584	2.4
229.31017	0.4
235.08224	12.7
236.08493	0.4
244.44170	0.4
245.06641	1.4
253.09291	3.4
255.23280	100.0
256.23627	7.1
263.07605	1.6
277.09277	0.6
287.07669	4.0
305.08771	4.5
306.09000	0.5
323.09756	1.8
379.12231	1.0
397.13477	99.3
398.13824	8.0
415.14545	33.5
416.14792	2.8
653.37476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03445	0.7
58.00600	1.6
59.01379	38.8
60.01705	0.3
61.98832	1.2
67.01910	0.3
68.99820	0.6
69.03449	2.2
70.76454	0.4
70.76791	0.4
71.01379	35.8
72.01721	0.4
72.99309	2.6
73.02947	5.1
75.00867	1.1
75.56429	0.2
81.03461	1.6
83.01385	4.4
83.04987	0.2
83.34510	0.2
84.02163	0.3
85.02950	7.2
86.00087	0.3
87.00874	8.8
87.04505	0.3
89.02441	31.8
90.02781	0.3
91.04022	0.5
95.01382	2.7
95.04997	0.4
97.02948	6.5
97.13283	0.2
99.00880	2.3
99.04549	0.3
101.02441	28.3
102.02799	0.7
102.86450	0.2
103.00354	0.4
103.04012	0.4
109.02971	0.8
111.00875	0.7
111.04528	1.4
113.02447	13.8
114.02782	0.4
115.04034	0.8
119.03502	10.1
121.02941	0.4
123.00843	0.4
123.04483	0.2
124.01678	0.5
125.02444	12.6
126.02773	0.3
127.03986	0.5
129.01926	0.4
131.03497	1.5
133.05060	1.1
137.02417	0.6
139.03990	1.0
141.01949	0.7
143.03493	5.5
149.02434	0.4
149.04575	1.1
157.05008	0.2
161.04543	7.1
167.03502	0.8
169.05090	0.3
171.03003	0.5
179.05595	5.8
181.05070	0.3
185.04527	0.8
197.04561	0.3
199.06088	0.6
203.05705	0.6
217.07176	0.8
219.05058	0.4
221.06664	2.8
233.06575	0.2
235.08205	14.3
236.08482	0.6
236.56799	0.3
245.06717	0.7
252.46078	0.2
253.09258	3.2
255.23274	100.0
256.23602	7.0
263.07700	1.4
269.24835	0.7
277.09280	1.0
285.09888	0.2
287.07724	3.8
302.38736	0.2
305.08777	4.4
306.09134	0.4
323.09766	2.2
361.11298	0.7
379.12375	1.3
390.79324	0.2
397.13464	97.5
398.13791	7.6
415.14545	34.2
416.14957	2.5
466.84137	0.3
653.37671	0.9
668.09424	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01782	0.7
57.03448	24.0
59.01381	25.8
69.03461	1.3
70.42992	1.8
71.01375	2.5
73.02944	2.5
81.03464	0.6
85.02962	8.3
87.04521	0.7
89.02437	3.4
99.04527	3.3
109.06596	15.4
111.04518	8.1
121.06627	1.0
123.04512	2.3
123.08183	3.2
131.03496	1.0
133.02959	2.1
135.04498	5.6
135.08171	19.0
136.08517	0.7
136.71971	0.6
137.09729	13.1
138.06850	1.8
149.02577	1.3
149.04559	17.4
149.09726	5.1
150.06818	0.8
153.09210	6.4
161.02431	8.1
163.11276	10.6
164.08397	0.7
167.03505	2.6
167.10774	9.3
175.11250	1.1
177.09203	25.3
178.09631	1.1
179.03542	4.6
179.10728	1.0
191.05582	2.8
191.10770	7.1
193.12329	100.0
194.12645	5.8
205.03525	0.8
211.13390	42.3
212.13722	2.1
217.12303	4.5
221.04623	1.0
223.04579	2.3
234.03766	0.7
235.13383	27.6
236.13800	1.4
253.14436	23.6
254.14865	1.4
255.12340	2.0
297.13425	15.3
298.13812	1.2
311.07779	6.0
320.70160	0.7
341.08780	1.0
447.13016	1.4
491.11996	8.5
492.12646	0.9
518.25043	0.8
519.19678	1.4
522.53693	0.7
653.17395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82613	0.5
53.49482	0.5
55.99775	0.4
57.03427	0.8
58.40033	0.5
59.01377	2.7
69.03443	0.5
70.41211	1.8
71.01384	0.7
83.05030	0.7
83.14748	0.5
85.02958	6.0
87.00874	1.4
89.02457	0.8
93.03454	5.2
99.04521	0.5
101.02393	0.5
109.02924	0.8
111.04527	2.0
119.05026	45.1
120.05370	3.6
125.02485	0.6
127.03983	2.2
133.03003	0.5
135.04533	1.8
137.02422	2.1
146.05261	0.5
149.04565	2.1
153.01952	2.3
155.03470	1.0
161.02419	1.5
163.04002	63.8
164.04333	5.7
165.04439	0.7
165.05594	6.8
167.03439	1.0
171.04498	0.5
173.04570	3.3
173.05931	0.6
175.44083	0.6
177.02000	0.7
179.03505	1.3
191.05605	100.0
192.05902	3.5
193.12367	1.6
199.04015	1.2
211.04106	0.6
211.13460	0.9
240.04317	1.6
241.04947	0.9
243.02922	2.0
255.06630	1.7
258.05292	4.3
267.02927	0.7
273.07687	5.0
299.05576	1.0
315.07156	0.8
325.09219	5.0
327.10855	2.0
337.09286	12.2
338.09622	1.2
353.08762	13.7
354.09317	1.3
435.12775	0.8
461.10968	5.8
462.10822	0.8
479.12228	1.7
488.88339	0.6
547.32617	0.7
653.17303	3.6
662.89343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
55.25369	0.9
55.75892	0.6
57.03430	0.7
58.99560	0.6
59.01378	8.9
61.98832	15.0
66.57908	0.6
67.01898	1.3
69.48714	1.6
69.49139	3.1
71.01388	2.7
74.93954	0.6
75.00875	1.1
79.38210	0.6
81.03458	6.8
83.01382	7.3
85.02959	4.0
88.98807	1.5
89.02437	1.3
93.03453	4.8
95.05035	7.6
96.96000	1.6
97.02957	2.7
98.20737	0.8
99.04523	2.8
101.02460	1.6
105.01883	0.7
108.02161	0.8
109.02951	2.4
111.00841	1.1
111.04494	0.9
113.02424	1.1
115.37654	0.6
119.04947	0.8
121.02935	1.4
122.03738	2.0
123.04527	14.3
125.02460	12.8
129.01959	1.3
133.02968	1.3
134.03758	1.7
135.04510	2.4
137.02444	9.6
137.06079	10.9
139.04028	4.6
141.05536	1.2
147.04550	0.8
149.02399	2.3
149.06081	1.1
151.04019	4.6
152.76840	0.6
155.03540	1.2
159.04543	0.7
161.02399	0.6
163.04048	0.9
164.04793	1.0
165.05589	4.4
166.02673	0.8
166.63962	0.7
167.03491	49.7
168.03833	2.3
173.04530	4.8
174.04779	0.6
175.03976	1.2
175.07484	0.8
177.01956	2.1
177.05621	1.8
178.00912	0.9
179.03494	14.2
180.04228	1.3
181.05043	2.5
191.02002	0.8
191.03751	3.1
191.05540	3.8
193.03275	2.0
193.04997	11.3
194.03671	0.7
194.05310	0.9
197.04529	2.4
203.03543	1.3
205.01416	0.9
206.02190	1.6
207.02902	1.1
209.04544	100.0
210.04909	5.5
219.08745	0.7
221.04538	51.1
222.04916	2.8
223.06052	1.5
225.72952	0.7
226.51927	0.7
233.04469	2.2
239.05591	40.1
240.05908	2.2
244.09799	1.3
245.10156	0.7
251.05573	10.8
273.18582	0.8
278.08521	0.8
281.06628	0.9
289.06970	0.8
293.06747	0.9
311.07684	7.7
317.17715	1.9
322.07858	0.8
323.07788	2.8
329.08774	24.5
330.09055	1.8
341.08746	25.3
342.09109	1.9
345.15594	1.2
431.16931	0.8
533.12939	19.2
534.13397	2.8
563.14142	1.6
609.24872	0.9
615.26636	1.4
653.15985	7.1
654.16675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01773	0.3
52.52662	0.4
58.02943	0.4
59.01381	1.9
61.98838	0.4
71.01041	0.3
71.01376	1.7
71.23479	0.7
73.02950	0.3
79.05526	1.9
81.03453	1.8
85.02972	1.7
87.55325	0.3
87.89962	0.3
101.02473	0.8
105.03461	5.9
107.05048	0.4
108.02190	1.0
109.02976	0.9
113.02457	0.8
117.03451	0.8
117.34362	0.3
119.05070	0.4
123.04529	22.5
125.02467	0.5
131.01393	0.7
132.02162	0.9
133.02963	23.9
134.03687	1.2
135.03494	0.8
135.04527	15.6
137.02454	1.0
139.04018	0.5
147.04506	0.7
149.02443	14.1
149.06070	1.3
150.02800	0.4
152.01144	1.2
153.01985	0.5
156.30052	0.3
159.00943	0.3
159.04489	0.5
160.01692	0.8
161.02441	85.2
162.02785	3.5
164.07198	1.3
167.03484	11.8
168.03870	0.4
168.63365	0.4
175.04005	1.6
177.01907	0.5
177.05574	3.0
178.02623	0.5
179.03503	11.5
187.00362	4.9
188.00708	0.4
188.48407	0.4
193.05003	0.5
199.09789	0.4
203.03519	1.4
205.01436	0.6
206.08186	2.3
221.04568	3.5
233.04616	0.4
247.30312	0.4
251.05492	0.5
263.05692	1.0
280.05945	0.6
291.84665	0.4
315.07468	0.4
323.07709	12.1
324.08005	0.8
329.09076	0.7
421.51895	0.4
447.12952	13.1
448.13013	1.8
473.10608	0.9
491.11945	100.0
492.12283	10.9
609.18298	1.0
653.17090	9.3
653.27551	0.7
654.17456	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	653.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82220	0.4
57.03428	0.8
59.01369	1.8
61.98834	3.9
67.01897	0.7
68.99776	0.6
69.03465	0.6
69.19783	2.0
69.20216	2.7
71.01350	1.0
81.03455	8.6
83.01379	12.6
85.02940	2.0
85.03407	0.4
89.02431	0.6
93.03452	1.9
94.90419	0.5
95.01388	1.1
95.05022	9.4
97.02948	2.0
98.20672	1.0
99.04530	2.3
101.02415	1.0
101.59129	0.5
105.03478	2.4
107.05025	1.5
108.02187	0.9
109.02964	2.3
111.04506	1.3
113.02453	0.5
119.05032	0.9
121.02944	2.2
122.03725	1.2
123.04522	14.5
125.02442	15.6
126.02726	0.5
133.06604	0.9
134.03688	1.0
135.04492	2.9
137.02444	7.4
137.06079	11.5
137.07164	0.6
138.06424	0.6
139.03995	4.7
141.05576	1.3
145.03001	0.9
147.04547	2.5
149.02446	5.2
149.06071	1.7
151.04016	4.4
155.03476	0.9
158.64984	0.5
159.04468	1.0
159.14221	0.4
161.02454	0.9
162.04095	0.5
163.00284	0.7
163.04012	1.6
164.04755	1.2
165.01944	0.7
165.05592	4.5
167.03493	49.1
168.03828	1.9
173.02351	0.7
173.06068	1.1
175.03987	1.5
177.01898	1.8
177.05563	2.2
178.02477	0.6
179.03487	15.2
180.04037	0.8
181.05045	2.7
189.05582	2.4
190.02661	0.5
191.03468	6.1
193.01418	0.6
193.05043	11.5
197.04538	1.9
203.03415	2.5
204.04272	0.7
205.01353	0.8
205.05058	1.5
206.02190	1.1
207.03069	0.7
209.04541	100.0
210.04831	4.7
217.05028	1.0
221.04546	56.0
222.04955	3.1
233.04529	43.6
234.04840	2.7
239.05598	33.1
240.05917	2.0
241.15901	0.7
245.04521	10.0
246.04765	0.8
251.05591	11.7
263.05728	1.3
279.96085	0.4
293.06595	0.8
311.07721	14.2
312.08182	0.5
323.07672	9.8
324.08124	1.0
329.08762	35.9
330.09052	2.4
341.08746	58.5
342.09015	4.2
403.12167	0.8
533.12994	17.1
534.12872	2.4
537.00580	0.6
563.13965	0.6
565.17316	1.2
635.16028	0.8
653.17078	12.9
653.27130	0.8
654.16858	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	653.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74712	0.4
53.62167	0.5
55.47343	0.4
57.03451	0.8
59.01381	2.6
61.98832	1.4
66.49699	0.5
67.01863	0.7
69.03468	0.8
69.29678	1.4
69.30099	2.1
71.01395	1.3
73.02940	0.5
75.00879	0.6
81.03454	6.1
83.01388	9.3
84.01717	0.4
85.02954	1.9
85.43784	0.4
87.00873	0.6
88.98846	0.8
89.02486	0.4
92.34138	0.4
93.03442	2.2
93.68964	0.4
95.01402	1.3
95.05026	8.3
97.02955	2.8
99.04523	2.2
101.02439	1.1
102.97944	0.5
107.01357	0.5
107.05035	1.6
108.02162	0.5
109.02981	2.7
111.00889	0.5
111.04542	0.5
113.02432	0.8
119.05029	1.0
121.02967	1.7
122.03748	0.9
123.04525	14.7
125.02444	13.2
133.02911	0.4
135.00908	0.5
135.04518	2.8
137.02444	8.4
137.06079	10.6
139.04018	5.6
141.05545	0.9
147.04510	1.0
149.02461	2.7
149.06062	2.2
150.03215	0.7
151.04015	5.9
152.01147	0.5
153.01915	0.7
155.03499	0.8
159.04565	0.6
161.02417	1.2
163.00366	0.8
163.04033	1.3
164.04785	1.3
165.01878	0.8
165.05568	5.0
167.03488	51.7
168.03844	2.0
175.03998	1.2
177.01923	1.6
177.05577	3.3
179.03497	19.3
179.05179	1.0
180.04062	1.5
181.05075	2.5
189.05544	1.1
191.03496	5.3
192.04121	0.7
193.01421	0.7
193.03336	0.9
193.05040	13.7
194.05507	0.5
197.04536	2.3
203.03557	1.0
203.10576	0.4
205.01385	0.6
205.05051	1.2
206.02217	1.4
207.02974	0.6
209.04543	100.0
210.04892	4.8
219.03000	1.4
220.03688	1.0
221.04536	64.7
222.04858	3.1
223.06081	0.8
233.04565	5.2
239.05598	39.1
240.05954	1.7
251.05608	12.6
252.05814	0.9
263.05472	1.2
281.06680	1.0
293.06580	1.5
297.95425	0.4
311.07724	10.6
312.08197	0.6
323.07663	10.6
324.08041	1.0
329.08768	27.2
330.09302	2.0
341.08746	40.2
342.09149	2.6
380.88400	0.4
514.79047	0.6
516.40424	0.5
533.12958	24.4
534.13147	3.6
549.14520	0.5
563.13995	1.2
593.26215	0.4
635.16095	1.0
653.17072	17.9
653.25836	0.7
654.17578	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	653.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	0.4
59.01380	3.0
60.99308	16.6
61.98831	18.0
63.98529	0.3
71.01381	0.9
71.02831	0.7
73.02955	0.7
83.01369	0.6
85.02960	2.1
87.00903	0.4
88.98806	100.0
89.02448	0.6
89.99136	0.7
101.02454	0.8
111.00937	0.5
113.02422	0.8
123.04530	0.4
125.02440	0.7
129.01923	0.6
137.02432	0.5
149.02419	0.4
150.06767	0.4
165.99052	0.4
167.03503	0.8
168.64371	0.3
178.05031	0.4
178.45802	0.4
179.03523	0.4
191.02008	0.5
191.05721	0.6
193.05098	0.5
209.04573	1.0
300.02597	0.7
312.34790	0.5
315.05127	2.3
443.93829	0.4
519.11603	2.5
563.17944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46218	0.8
58.09966	0.7
59.01374	3.5
61.98822	1.9
65.00353	0.9
71.01390	3.0
71.54958	1.5
79.05546	1.1
81.03474	1.2
83.01406	0.7
85.02946	7.0
87.00900	1.3
89.02476	1.0
93.03491	1.3
96.95996	1.7
101.02429	2.1
105.03475	7.2
108.02206	1.0
111.00860	1.7
113.02441	1.5
117.03475	1.3
119.05028	1.2
121.02957	1.8
123.04529	18.2
125.02462	1.5
129.01988	1.5
131.01527	0.7
131.07130	2.0
132.02174	1.1
133.02963	25.4
134.03729	1.7
135.04524	18.6
135.18985	0.9
137.02466	2.1
139.04007	1.5
145.03038	1.6
149.02444	20.1
149.06029	1.6
152.01089	1.6
153.01949	0.8
158.58330	0.9
161.02444	100.0
162.02817	3.9
163.04002	2.3
165.01921	1.7
165.05559	1.0
167.03482	14.0
168.03831	1.0
173.08095	0.8
175.03996	1.5
177.05562	2.9
178.02658	0.9
179.03513	19.0
187.00380	7.5
191.05568	1.5
197.04390	0.8
203.03485	3.0
219.02904	1.1
220.03633	0.9
221.04547	5.4
251.05495	1.8
263.05368	1.5
280.06113	1.0
323.07742	20.0
323.11536	1.2
324.08194	0.9
413.08026	1.2
414.68655	0.8
443.08746	0.9
447.13016	18.2
448.13330	3.1
473.11026	3.0
474.10864	1.1
491.11942	50.5
492.12228	5.8
533.12878	1.6
609.18939	1.2
653.17139	75.8
654.17426	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	653.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46218	0.8
58.09966	0.7
59.01374	3.5
61.98822	1.9
65.00353	0.9
71.01390	3.0
71.54958	1.5
79.05546	1.1
81.03474	1.2
83.01406	0.7
85.02946	7.0
87.00900	1.3
89.02476	1.0
93.03491	1.3
96.95996	1.7
101.02429	2.1
105.03475	7.2
108.02206	1.0
111.00860	1.7
113.02441	1.5
117.03475	1.3
119.05028	1.2
121.02957	1.8
123.04529	18.2
125.02462	1.5
129.01988	1.5
131.01527	0.7
131.07130	2.0
132.02174	1.1
133.02963	25.4
134.03729	1.7
135.04524	18.6
135.18985	0.9
137.02466	2.1
139.04007	1.5
145.03038	1.6
149.02444	20.1
149.06029	1.6
152.01089	1.6
153.01949	0.8
158.58330	0.9
161.02444	100.0
162.02817	3.9
163.04002	2.3
165.01921	1.7
165.05559	1.0
167.03482	14.0
168.03831	1.0
173.08095	0.8
175.03996	1.5
177.05562	2.9
178.02658	0.9
179.03513	19.0
187.00380	7.5
191.05568	1.5
197.04390	0.8
203.03485	3.0
219.02904	1.1
220.03633	0.9
221.04547	5.4
251.05495	1.8
263.05368	1.5
280.06113	1.0
323.07742	20.0
323.11536	1.2
324.08194	0.9
413.08026	1.2
414.68655	0.8
443.08746	0.9
447.13016	18.2
448.13330	3.1
473.11026	3.0
474.10864	1.1
491.11942	50.5
492.12228	5.8
533.12878	1.6
609.18939	1.2
653.17139	75.8
654.17426	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	653.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52564	0.3
55.89388	0.3
59.01374	0.9
59.34073	0.2
63.38061	0.2
67.01861	0.3
71.01369	0.7
71.26750	0.6
78.59602	0.3
83.05013	0.4
85.02949	5.4
87.00854	1.4
93.03453	4.4
109.02929	0.5
111.04528	1.0
114.77118	0.3
119.05026	5.1
120.05399	0.7
127.03983	1.5
133.02917	0.5
135.04507	1.0
137.02437	4.0
155.03452	0.3
161.02454	1.5
163.03996	6.0
164.04382	0.9
165.05602	0.6
167.03557	0.3
173.04492	1.6
177.02005	0.3
179.03459	0.6
191.05602	100.0
192.05930	3.7
199.03990	0.9
201.45274	0.3
209.90683	0.3
212.23300	0.3
212.69272	0.4
213.05568	0.3
240.04224	0.8
241.05006	0.3
243.02969	4.4
255.06544	0.7
257.04562	0.6
258.05289	7.9
258.07816	0.6
259.05597	0.4
267.02881	0.4
273.07681	7.1
274.08066	0.7
299.05414	0.7
317.06686	0.6
325.09125	0.4
327.10773	0.3
337.09280	0.7
351.89612	0.3
353.08728	13.8
354.09048	0.7
435.13052	1.5
461.10757	4.0
462.11569	0.3
479.11969	2.4
653.17188	4.8
654.18085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01107	0.4
57.03437	0.6
59.01387	2.4
62.40567	0.4
70.38780	1.4
71.01378	1.5
80.47433	0.4
81.03449	0.5
83.01380	0.6
83.05035	0.7
84.25505	0.4
85.02948	8.6
87.00861	2.0
89.02432	0.5
93.03455	4.9
96.96017	0.4
98.20595	0.4
99.04480	0.6
101.02470	0.4
105.81301	0.5
109.02959	0.5
111.04522	1.5
119.05030	5.7
120.05362	0.8
127.04004	2.0
135.04547	0.7
137.02457	3.9
149.04562	0.6
155.03491	0.8
161.02457	1.2
163.03999	5.6
164.04364	1.4
165.05621	0.9
171.03072	0.6
172.05251	0.6
173.04539	3.5
179.03481	1.0
189.05469	0.5
191.05608	100.0
192.05946	3.6
193.12317	0.6
197.05994	0.4
199.04053	4.2
204.46324	0.4
211.03946	1.3
212.04761	0.6
213.05461	0.8
215.03412	0.5
223.03987	0.8
227.03535	0.5
239.03470	0.6
240.04227	4.5
241.05025	1.0
242.05772	1.3
243.02962	18.3
244.03322	1.3
255.06616	5.0
257.04565	3.0
258.05313	28.9
259.05670	1.6
267.02917	2.0
273.07675	30.3
274.08060	2.1
299.05542	3.8
317.06650	1.1
325.09341	1.1
327.10495	0.5
353.08752	10.1
354.08698	0.6
391.48932	0.4
400.15894	0.5
435.12973	5.6
436.13254	0.6
453.02515	0.4
461.10895	18.5
462.11255	1.8
463.58295	0.4
479.11911	11.8
480.12555	1.4
491.11893	1.9
504.45740	0.4
581.94769	0.5
622.76740	0.5
653.17169	14.9
654.17627	2.3
655.10254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
58.47379	0.4
59.01146	0.4
59.01379	3.9
61.59278	0.4
61.98818	1.9
68.99846	0.5
69.03422	0.5
71.01366	1.1
71.54880	0.7
74.28525	0.4
83.01419	0.4
84.02163	6.2
85.02971	1.0
88.98839	0.6
93.03451	1.7
95.01392	0.5
97.02943	0.6
107.05010	0.4
108.02177	9.1
109.02982	2.7
116.92860	0.6
119.05030	1.7
121.02956	8.9
122.03735	0.7
123.04552	0.6
131.05029	0.5
133.02930	0.7
133.06573	1.3
134.03769	0.6
135.04521	1.5
136.01672	5.8
137.02460	3.7
143.05032	1.2
145.02959	0.9
145.06572	0.7
147.04524	1.7
147.08192	0.5
148.05327	0.6
149.02472	0.7
149.04601	0.5
150.03229	1.4
152.01137	0.8
155.06967	0.4
159.04497	1.9
160.05244	1.0
161.02449	0.8
161.06104	3.8
162.03220	0.9
162.06851	0.8
163.04024	2.0
163.07646	2.4
165.01909	3.2
171.04565	0.9
173.05943	0.8
174.22415	0.4
175.03958	2.0
175.07777	0.4
176.04724	0.8
177.05458	0.5
178.02650	1.0
182.02150	0.9
187.04008	0.7
189.05562	4.5
190.06296	2.2
191.03705	1.9
191.05583	1.0
191.07137	3.1
193.05054	1.0
201.05550	1.3
204.04247	2.1
209.11824	0.5
216.04205	0.4
217.05078	0.4
218.05882	0.7
219.06624	7.8
220.07036	0.6
223.13333	1.1
234.05133	0.6
241.10670	0.6
283.09717	1.3
311.09277	3.5
323.09265	0.7
339.08667	2.8
340.09500	6.0
341.10110	1.3
355.08038	0.5
357.09534	0.8
358.10226	1.0
369.09760	100.0
370.10074	9.5
491.23099	0.6
653.31860	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24463	0.3
58.02975	49.3
58.63335	0.3
59.01373	3.0
59.03346	0.4
69.66259	2.2
70.02988	0.5
72.00897	0.3
73.02944	0.4
85.02951	0.4
89.02438	0.5
91.05500	0.3
94.37904	0.3
96.95973	0.3
99.05669	0.3
103.05535	0.6
106.72550	0.3
108.02142	0.4
123.04669	0.4
130.70871	0.3
133.02974	0.7
135.04530	1.2
137.02516	0.3
147.04515	2.3
149.02414	0.4
149.04533	2.5
161.02513	1.7
164.07166	34.9
165.07471	1.0
167.03496	0.4
179.03525	1.5
182.21550	0.3
197.61423	0.3
206.08217	100.0
207.08545	5.4
236.75473	0.3
240.09859	0.3
250.07216	3.0
310.10745	0.4
311.07703	0.5
323.28311	0.3
325.13123	0.5
444.12042	0.4
491.12000	1.6
653.17755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33344	0.9
54.60748	0.8
59.01378	8.9
61.98829	6.3
70.02962	4.2
71.01369	2.2
72.00913	4.8
72.99301	1.3
73.04054	1.5
75.00883	6.9
76.11081	0.9
82.02979	3.4
85.02958	1.2
87.00879	1.1
88.98791	1.3
89.02418	1.1
91.05544	1.4
93.03458	2.2
96.00914	26.8
98.02480	19.2
98.20772	1.7
99.05642	14.9
101.02450	2.2
103.00380	5.4
104.03529	4.5
105.01935	12.2
109.04028	1.2
110.02483	17.2
111.02003	1.0
113.40615	0.9
114.01968	2.0
116.05015	1.0
118.06636	26.0
119.05019	1.6
120.01219	3.0
122.02548	1.1
129.10323	6.7
135.04503	2.1
136.28882	0.9
137.02473	1.4
139.08759	2.0
141.06699	8.7
147.04497	19.7
147.05923	3.9
151.08739	1.1
153.03017	2.3
155.04659	1.1
155.08255	7.0
163.03987	1.8
164.07158	48.6
165.07466	1.5
169.09805	6.0
171.04146	1.7
179.11893	1.1
181.09824	3.0
189.07033	14.2
191.05569	4.3
202.07507	1.1
214.12373	1.5
215.08180	1.5
217.09796	1.6
219.11465	1.6
222.12453	2.3
227.53395	1.2
231.14996	18.9
232.15143	1.0
233.16545	1.8
234.12451	2.1
235.05014	1.0
235.10890	1.2
248.10318	1.0
257.12839	3.5
259.14465	4.0
260.99417	1.2
261.08838	2.8
277.15573	8.7
286.08685	1.2
353.10193	1.2
364.18576	3.5
370.17661	3.9
414.16690	29.4
415.16876	2.8
426.16632	13.4
427.17020	2.3
444.17725	52.4
445.17868	4.9
462.18985	2.5
468.16830	1.0
604.24225	4.5
616.23993	1.3
617.74396	1.1
629.84637	1.0
634.25458	100.0
635.25934	13.3
652.26312	21.2
653.16449	1.8
653.27081	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	651.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
57.03449	0.5
59.01382	79.5
60.01712	0.8
70.65960	0.3
71.01376	2.5
73.02943	1.5
81.03458	1.7
83.01395	2.5
85.02953	2.2
89.02464	0.3
92.86317	0.3
95.05021	0.5
96.96013	0.4
99.00865	0.6
101.02455	2.8
101.88203	0.3
106.03315	0.3
109.03022	0.3
113.02445	1.7
121.03000	0.3
123.04536	18.3
124.04870	0.6
125.02467	4.1
141.90776	0.3
146.65718	0.3
149.02448	0.5
151.00369	1.0
161.04561	1.3
165.64589	0.3
167.03510	100.0
168.03885	3.5
191.05692	0.4
209.04480	1.1
234.80421	0.3
235.11859	6.8
277.12924	7.6
278.13327	0.5
329.08759	14.6
330.09036	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24232	0.2
59.01377	100.0
60.01709	0.4
61.98829	1.4
78.95908	2.9
89.02455	0.5
96.96943	0.4
106.75834	0.3
113.02469	0.5
114.62515	0.3
115.33904	0.2
116.69350	0.2
120.24367	0.2
123.39114	0.3
126.58930	0.3
152.99590	3.0
171.10291	0.4
175.95546	0.3
188.73866	0.3
206.58681	0.3
225.11382	0.3
263.17816	0.3
277.21701	23.7
278.22125	1.7
325.10486	0.5
352.96207	0.3
353.10025	0.3
379.11609	0.6
397.13013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37615	0.9
54.48213	0.9
57.03447	2.8
59.01380	15.8
61.98836	7.4
65.20667	1.1
68.69079	0.8
71.01379	2.6
72.99314	1.4
73.02952	1.7
75.00877	72.4
83.01404	1.7
85.02953	14.8
88.98804	2.1
89.02466	1.4
93.03485	1.6
95.93073	0.8
96.96011	2.2
101.02454	2.9
103.00379	100.0
103.04015	6.2
104.00768	1.5
104.03542	3.5
108.02193	1.1
111.00893	2.3
113.22025	1.0
116.92917	2.3
119.05007	1.4
121.02943	3.0
123.04477	1.5
125.02441	1.7
129.01933	5.4
134.03699	1.7
135.04544	3.2
137.02405	1.7
151.04015	1.2
154.84601	0.9
160.01747	1.2
161.02405	1.4
163.04028	1.9
164.04776	1.2
167.03465	1.6
173.00908	1.3
179.03548	2.3
179.05577	1.6
190.02753	1.1
191.01968	1.0
193.05128	1.8
270.01794	1.2
295.04562	1.1
301.71448	1.2
308.23358	1.2
313.03159	1.8
313.78976	0.9
343.08124	1.1
385.12936	4.2
454.20752	11.5
651.22803	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38177	0.9
57.03437	3.7
59.01373	5.7
65.00307	2.2
68.10071	1.1
71.01373	3.2
71.54311	1.2
73.02940	1.2
81.03453	5.4
83.01395	13.6
85.02978	5.5
89.02461	2.6
93.03478	2.7
95.01394	1.7
95.04984	1.2
96.58980	1.1
97.02993	1.9
99.04527	3.1
101.02443	1.4
105.01942	2.7
107.01421	5.4
108.02158	1.3
109.02958	4.0
113.02440	1.3
119.05024	4.7
123.04531	13.8
124.01691	1.8
125.02447	10.1
133.02968	2.1
135.04515	4.2
137.02470	8.6
138.03102	1.1
139.04005	1.8
149.02435	4.2
150.03206	1.0
151.00337	3.0
151.03983	2.8
153.01944	1.1
161.02414	2.2
163.00330	1.9
163.03992	3.3
165.01836	1.3
166.02760	1.4
167.03500	38.8
168.03876	2.2
169.12292	1.5
170.06100	1.4
171.87753	1.2
175.08784	7.8
177.01964	3.8
179.03531	12.3
185.07162	2.7
187.08734	1.9
191.03456	1.4
191.05612	6.7
192.05884	1.5
192.99794	1.6
193.01431	20.9
194.01793	1.4
195.02969	10.4
195.13922	16.3
199.08713	1.9
201.10300	2.1
205.01410	4.1
206.01970	2.3
207.02995	11.8
209.04597	2.6
212.07236	2.5
219.02930	4.6
223.02431	2.2
224.07091	2.8
227.11853	1.5
229.09807	18.4
235.02477	3.2
239.05608	1.5
241.09845	13.9
241.13539	1.1
242.10358	1.3
253.09824	3.6
255.16023	1.7
269.12863	3.4
271.10907	3.2
272.77472	1.2
280.82901	1.2
283.10944	6.9
291.75031	1.2
295.10944	2.1
296.07904	1.3
299.14999	2.2
308.05621	1.8
311.13998	1.2
313.11923	6.7
325.12000	2.4
337.11914	3.9
351.06900	1.5
352.08191	1.7
353.11447	4.5
355.12988	12.2
365.11475	1.4
367.12982	12.9
379.12936	1.8
381.10861	9.7
382.11520	1.5
383.12442	7.6
384.12888	1.3
393.11069	3.3
394.11649	2.2
395.12451	9.4
396.13040	2.2
407.12408	2.2
409.14258	1.3
411.12012	3.3
419.12585	1.4
423.12048	1.8
453.13281	2.0
483.13968	2.2
487.17239	5.0
501.15213	2.7
505.18256	24.0
506.18668	2.2
531.16266	32.9
532.16565	2.7
533.18005	2.1
545.17743	8.4
546.18219	1.3
549.17279	1.4
561.17206	21.3
562.17603	2.6
563.18848	4.7
573.17078	1.5
591.18335	4.6
603.18622	5.6
605.20038	1.4
613.17725	3.1
615.18750	1.4
633.19220	13.9
634.20093	1.6
651.20477	100.0
652.20715	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	650.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37100	0.3
57.03426	0.4
59.01374	1.4
61.98824	1.7
65.00323	10.5
68.99831	1.2
71.01385	0.9
72.47758	0.3
75.00870	0.6
79.01878	0.5
81.03483	0.4
83.01406	0.8
85.02950	2.5
89.02425	0.4
92.99810	1.5
93.03458	0.4
95.01380	0.6
96.96011	0.9
96.99311	1.6
97.02941	1.2
98.00116	0.4
99.00890	1.1
103.00378	1.2
104.99830	0.7
107.01400	0.8
107.74986	0.4
108.02233	0.4
108.99320	1.1
109.02982	0.9
110.00092	1.6
111.00889	2.2
113.02422	0.4
119.05074	0.4
120.99313	2.8
121.03034	0.3
123.00889	1.2
123.04518	0.4
124.01682	0.4
125.02441	5.7
127.00385	0.7
129.01935	0.9
134.03775	0.4
135.00905	0.5
135.04488	1.3
136.25218	0.3
136.98799	14.2
137.02434	0.7
137.99614	0.3
139.00398	2.8
139.03995	0.5
140.01146	1.3
145.03014	0.3
148.98799	1.5
149.99524	0.5
151.00348	2.6
151.03952	0.6
152.01175	0.6
152.98315	3.0
153.01947	2.3
157.01454	0.5
161.02490	0.5
163.00388	0.6
164.98288	61.0
165.98949	2.2
166.99826	1.5
167.03511	0.8
168.00642	0.5
169.01424	5.3
172.00159	1.0
173.04382	0.3
175.03984	0.5
177.99080	1.5
178.99863	5.2
179.03473	0.4
180.97771	2.6
181.01428	1.8
191.05605	1.3
192.97813	4.2
193.01431	0.9
194.99312	0.5
196.00085	0.8
197.00903	20.3
198.01308	0.4
206.99388	2.9
208.62073	0.3
209.00931	0.8
211.02501	0.6
223.02507	0.4
225.00394	34.4
226.00780	1.3
227.01965	0.6
238.01210	1.6
239.01938	1.6
267.01505	1.2
283.04614	0.6
328.04276	0.4
359.06018	0.4
387.05673	100.0
388.06027	6.5
411.56464	0.4
452.14420	0.4
469.31293	0.4
470.18192	2.0
488.18997	1.9
494.99603	0.3
541.91296	0.4
550.64020	0.4
591.25000	0.4
614.19214	0.4
650.24536	26.2
651.25348	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	650.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81009	0.3
59.01374	1.0
61.98827	1.3
65.00324	8.0
68.99831	0.7
69.77282	1.7
71.01390	0.8
75.00873	1.1
77.00297	0.3
81.03449	0.3
85.02967	1.2
92.99831	1.4
93.03446	0.4
95.00188	0.3
95.01398	0.9
96.95988	0.4
96.99318	1.4
97.02949	0.9
98.19971	0.5
99.00899	0.5
101.02456	0.5
103.00391	1.2
107.01378	0.8
108.02174	0.4
108.99296	1.3
109.02959	0.4
110.00097	1.5
111.00871	2.1
120.99339	2.2
121.02985	0.5
123.00891	0.9
123.04498	0.4
124.01653	0.3
125.02453	4.5
126.48892	0.3
127.00411	0.8
129.01942	0.7
134.03735	0.4
135.00954	0.3
135.04515	1.7
136.04727	0.4
136.98802	11.5
137.99168	0.4
139.00403	2.2
140.01161	1.4
141.01886	0.3
148.98811	1.3
149.02406	0.5
149.99504	0.4
151.00371	2.1
151.04071	0.3
152.01143	0.3
152.98279	2.5
153.01907	1.8
157.01332	0.6
161.02536	0.4
163.00403	0.4
164.98286	55.5
165.98834	2.1
166.99828	1.9
167.03494	0.7
168.00650	1.0
169.01450	4.1
172.00099	1.3
173.04607	0.6
177.99083	1.7
178.99854	4.8
179.03462	2.6
180.03816	1.0
180.97760	2.7
181.01375	1.4
190.99792	0.7
191.05583	0.8
192.97771	4.0
193.05121	0.5
194.99356	0.9
196.00064	0.8
197.00909	18.9
198.01324	0.3
205.05272	0.4
206.99367	2.7
209.00903	0.8
211.02486	0.5
224.52905	0.3
225.00395	32.9
226.00932	1.2
227.01959	0.9
234.98993	0.4
238.01208	1.7
239.01952	1.1
267.01352	0.8
283.04608	0.5
289.07309	0.5
327.03583	0.5
341.06644	0.4
342.06586	0.3
359.06082	0.6
387.05688	100.0
388.06012	5.7
388.80511	0.4
451.10144	0.3
452.10541	0.8
470.18115	1.4
488.19348	0.8
614.15875	0.6
633.00665	0.5
650.24518	25.7
651.24847	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	650.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.4
59.01378	5.6
60.99303	0.9
61.98822	3.2
65.03963	1.0
67.01889	5.5
69.03448	1.0
71.01374	6.0
71.23129	1.2
73.23338	0.8
77.19247	0.7
81.03453	1.8
83.01380	1.1
83.05019	2.1
85.02947	10.1
87.00862	1.1
88.98824	1.4
89.02463	1.0
93.03461	35.2
94.03833	1.3
96.95992	1.9
99.00889	1.1
101.02449	1.5
107.05006	0.9
107.17077	0.9
109.02937	2.4
111.00887	2.8
111.04519	6.8
114.05612	1.5
116.92920	0.7
119.04998	0.8
119.08659	2.3
121.02969	1.0
123.04585	1.0
125.02452	2.0
129.01956	2.9
130.08763	0.8
133.03021	1.0
134.03764	0.8
135.04514	1.9
137.02431	7.1
145.02878	0.8
148.06305	0.7
153.01962	0.7
155.03505	6.4
156.10284	1.5
159.04500	10.0
160.05217	1.1
161.06067	1.9
167.03526	1.3
172.05342	0.8
173.04549	100.0
173.05885	3.9
174.04904	2.5
179.03400	1.1
181.05125	0.9
185.06114	1.4
186.06842	1.2
187.07594	1.0
191.05649	8.2
193.05083	1.0
197.04501	1.5
201.09117	1.4
203.03511	1.4
211.07597	1.4
221.09816	0.9
222.06743	0.8
223.07683	0.9
225.09225	2.5
237.09157	1.1
239.10852	1.1
265.12317	1.3
293.10568	2.1
307.13550	3.8
308.12775	1.0
321.90747	0.8
341.08783	2.8
355.11911	1.0
370.20215	0.8
378.20084	0.8
396.21802	7.9
440.20734	40.7
441.21146	4.1
606.30090	0.8
614.26056	65.2
615.26471	9.8
650.22144	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	650.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36651	0.8
57.03437	1.9
57.74388	0.7
58.99607	5.2
59.01374	3.4
61.98837	6.8
69.59536	4.3
71.01379	2.8
73.01166	3.3
84.04544	2.4
85.01183	15.9
85.02955	9.3
94.02960	1.1
96.96027	4.3
98.20640	1.2
101.02456	1.5
108.02173	3.7
111.00883	1.2
113.02426	0.9
116.01742	1.9
116.92833	1.0
123.04520	3.7
125.02481	1.0
129.01939	2.5
134.03754	4.5
135.04512	1.6
137.02448	1.5
145.02956	28.1
148.05328	1.3
149.06120	4.0
154.03343	23.8
158.03734	1.3
159.04518	1.0
160.05315	12.4
161.02438	1.6
161.05731	1.0
163.04076	0.9
167.03464	1.3
173.00893	1.5
173.04553	1.7
174.06937	1.2
175.03909	0.9
175.07661	13.0
178.00951	51.9
179.01228	1.6
183.10281	1.8
185.06082	3.6
186.06870	2.5
187.04007	1.0
187.06197	1.0
191.01788	3.4
192.06683	2.7
193.03291	100.0
194.03656	4.7
202.05075	1.3
202.08725	1.6
203.05894	9.8
205.04965	0.9
206.04077	2.7
218.08218	26.8
219.08594	1.5
228.06628	7.9
229.07437	20.4
230.07715	1.1
235.04396	1.1
244.09785	95.4
245.10098	5.3
256.07123	0.9
271.09799	2.0
278.08572	37.2
279.08768	2.2
315.47275	0.8
317.62918	0.9
322.07562	14.4
484.12695	2.8
531.04504	0.8
572.25714	0.8
606.23810	52.1
607.23993	9.7
650.22729	67.3
651.23132	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	650.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33335	0.6
57.03460	1.3
58.99612	5.9
59.01377	2.4
61.98841	4.8
70.86978	1.5
70.87314	1.4
73.01173	3.0
73.02941	0.9
84.04553	3.1
85.01181	17.4
85.02940	4.0
86.02475	1.6
93.03477	0.8
94.02976	1.2
96.96004	2.1
108.02191	4.7
111.00886	0.8
113.02462	0.9
113.39418	0.7
116.01746	1.0
116.92883	0.8
116.97983	0.7
117.12157	0.8
120.04559	1.4
123.04493	4.6
129.01933	1.4
134.03706	3.6
135.04485	1.5
139.07695	0.9
145.02956	29.4
147.04439	0.8
148.05322	1.5
149.06096	5.2
154.03325	23.4
158.03758	1.5
159.04507	1.7
160.05286	11.8
161.02472	1.2
167.03537	1.0
173.00801	0.9
174.06833	1.4
175.03981	0.8
175.07645	14.1
178.00945	53.4
179.01323	2.6
179.03322	0.8
183.10233	2.3
185.06079	2.7
186.06848	2.7
187.06383	1.3
190.15889	0.7
191.01726	1.5
192.06674	2.8
193.03278	100.0
194.03618	3.9
201.05673	0.9
202.08723	1.5
203.05856	10.9
206.04062	2.4
207.04721	0.9
218.08217	24.5
218.10353	1.2
219.08456	1.0
228.06667	7.7
229.07436	22.4
230.07808	1.6
244.09776	95.5
245.10095	6.5
263.06183	1.6
270.57001	0.7
271.09683	0.7
278.08557	42.4
279.08862	2.1
322.07529	32.5
323.07776	2.2
387.15115	1.0
606.23767	52.5
607.24115	7.6
650.22736	57.5
651.22919	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	649.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	89.7
60.84727	1.9
61.98818	9.0
65.67608	1.7
71.01391	8.7
71.54832	1.6
73.02945	3.1
73.46238	2.0
75.94363	1.9
77.17645	1.8
87.00867	6.4
88.98796	2.2
89.02441	28.4
91.07461	1.7
91.63749	1.9
116.92830	3.0
117.57359	2.1
119.04987	2.7
125.02338	1.8
131.03479	8.4
149.04552	100.0
161.13347	8.6
187.11214	3.6
191.05585	6.6
205.12323	19.7
223.13374	98.7
224.13713	6.0
227.63268	1.9
243.85745	2.0
249.11301	12.1
267.12354	63.7
268.12546	4.1
335.50226	2.2
362.79581	2.0
381.15448	3.1
399.16647	14.3
473.25574	11.7
475.71384	1.9
511.02957	2.2
517.24475	27.1
518.25232	2.7
649.28680	33.2
650.28815	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	649.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
59.01379	5.2
60.99007	0.9
60.99308	15.5
61.98821	2.4
69.23602	3.7
71.01382	2.8
73.02943	3.2
73.45559	0.5
80.26331	0.4
80.48505	0.5
81.03474	0.4
81.15170	0.4
83.01387	1.9
85.02954	3.0
88.98805	100.0
89.02419	0.9
93.03455	0.5
95.05043	0.4
96.96021	1.8
98.20631	0.8
99.92578	0.9
101.02442	2.5
109.03025	0.5
111.00874	0.9
113.02425	0.6
114.05595	1.1
116.92895	2.4
119.05003	0.9
119.96822	0.4
125.02463	1.1
129.01947	0.9
131.03534	0.5
134.03740	0.7
135.08165	1.0
137.02487	1.0
143.03522	0.5
156.10301	1.2
159.08150	0.7
161.02452	0.5
167.03508	0.6
175.04037	0.5
179.03488	0.5
180.06612	0.7
191.02045	0.7
191.05614	0.7
193.05017	0.8
203.03540	0.9
205.03342	0.5
218.05867	1.1
233.08115	1.3
270.75934	0.4
285.04178	0.6
292.15491	0.7
368.09204	0.5
383.11420	1.4
385.13107	0.9
398.13141	0.5
401.12616	0.6
473.16544	0.8
559.31470	3.7
605.18481	4.5
679.28931	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44975	0.6
51.79142	0.7
55.01894	1.1
57.03437	1.8
58.00600	1.4
59.01379	27.9
60.16652	0.7
61.98832	3.3
66.91684	0.8
71.01383	19.7
71.55399	0.9
72.99306	1.9
73.02944	3.9
75.48186	0.6
76.93407	0.7
81.03462	0.8
83.01396	2.8
85.02950	14.7
87.00867	2.2
87.25764	0.6
89.02449	13.2
89.02953	1.2
91.01895	0.8
93.03461	2.7
95.01391	1.5
96.96021	3.9
97.02985	1.0
99.00863	1.7
99.08169	1.5
101.01802	1.0
101.02451	14.9
109.02959	1.5
111.00879	1.4
111.04549	1.0
113.02447	7.7
119.01375	2.2
119.03500	3.7
119.05079	1.3
121.02959	5.6
123.04507	1.7
123.08198	1.1
125.02445	2.7
127.07657	0.9
129.01955	1.5
132.02159	0.8
134.03752	1.7
135.04518	4.3
137.02426	1.2
139.04048	1.2
145.08707	8.9
147.00882	2.0
147.04575	1.9
148.01695	0.9
149.02438	30.5
150.03223	2.0
151.04008	1.5
152.01115	1.8
161.02473	1.8
161.04633	0.9
163.03972	2.2
164.04796	22.4
165.05373	1.5
167.03490	2.3
171.48978	0.8
173.04541	1.8
175.00368	15.2
175.03961	0.7
176.01149	11.0
179.03503	4.1
179.07085	1.8
187.09747	4.1
189.12767	1.0
190.02713	35.7
191.01860	1.2
191.03468	11.8
191.05592	4.7
193.01506	0.7
193.04965	0.9
197.04597	0.8
205.05054	31.6
206.05472	2.5
209.04619	1.1
223.06105	18.8
233.04512	3.6
237.14951	1.4
242.74026	0.8
265.07294	0.9
271.02365	1.0
299.02078	1.0
311.07715	2.6
314.04214	0.9
363.57687	0.8
373.02032	0.8
412.08008	1.1
425.18423	1.2
427.10022	1.7
443.19193	100.0
444.19620	8.9
445.11356	1.4
478.90015	0.8
561.12317	1.2
605.25879	5.4
606.25769	0.8
617.22302	1.5
649.25037	72.9
650.25281	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	649.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48889	0.2
59.01380	100.0
60.01722	0.7
69.03455	0.5
70.82873	0.4
70.83228	0.3
71.01381	0.6
73.02967	0.5
80.07419	0.2
83.01418	0.3
84.02168	5.0
85.02946	0.3
90.76125	0.2
93.03450	0.7
97.02985	0.4
101.02409	0.2
102.80968	0.2
103.05548	0.4
108.02176	7.1
109.02972	1.9
113.02463	0.4
117.07108	0.4
119.05022	0.5
121.02951	5.4
122.03793	0.6
123.00908	0.4
123.04533	0.4
131.05107	0.3
134.03729	0.5
135.04504	0.6
136.01660	3.8
137.02455	2.4
139.57893	0.2
143.11276	0.3
145.02963	0.3
147.04517	1.4
147.08183	0.3
148.05331	0.5
149.02454	1.1
149.06049	0.3
150.03227	1.3
151.03989	0.5
158.03883	0.3
160.60065	0.3
161.02434	0.9
161.06047	2.1
162.03218	0.9
162.06816	1.4
163.04053	1.5
163.07664	1.1
164.04776	0.3
165.01932	2.0
173.06059	0.6
175.04027	3.4
176.04770	1.1
177.05582	0.7
178.02684	0.4
182.02216	0.3
187.04086	0.5
188.04659	0.3
189.05638	1.5
190.06339	3.6
191.03458	1.7
191.07104	2.4
193.05037	0.3
202.06439	0.4
204.04279	1.4
205.05058	0.5
205.08687	1.0
216.04301	0.4
219.06613	3.6
220.07361	1.3
235.09749	1.7
268.48465	0.2
282.08945	0.3
284.10651	0.2
299.12875	0.8
309.07709	0.4
320.62537	0.3
327.12463	1.9
339.12436	0.3
341.10065	0.3
355.11874	1.5
356.12637	4.3
357.13242	1.0
385.12915	92.3
386.13251	9.9
489.22079	0.3
540.59399	0.2
649.20764	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68485	0.9
55.01873	2.1
57.03432	1.1
58.00591	1.5
59.01381	76.2
61.98829	4.3
69.03460	1.5
69.19212	2.5
69.19628	8.4
71.01080	0.7
71.01386	43.2
72.99305	3.2
73.02950	73.3
75.00856	1.3
79.95734	3.0
83.01392	21.3
85.02956	10.7
87.00890	1.3
89.02441	8.0
95.01404	1.5
96.96014	84.6
97.02949	1.7
99.00900	1.2
101.02445	47.7
111.00909	1.2
113.02454	10.3
113.92619	1.6
114.93384	1.2
115.91882	1.0
119.03457	1.3
121.02976	1.2
123.00877	2.5
125.02462	3.8
129.01979	1.7
131.03502	2.6
131.05067	2.2
135.04524	1.0
143.03513	3.2
147.04558	2.3
149.04572	1.3
155.03497	1.2
155.64644	1.0
159.04506	4.2
160.92181	1.2
161.04556	6.0
171.94168	1.1
175.04004	3.0
185.17395	1.0
203.03500	26.2
204.04053	2.1
218.05840	33.6
219.06592	2.9
221.04529	2.4
233.08197	26.7
234.08698	1.3
236.06892	3.4
250.04829	2.1
251.09332	1.7
287.20090	1.5
325.07056	1.8
335.05518	2.2
353.06622	8.0
354.06827	1.4
368.08987	7.5
383.11395	32.3
384.11652	2.6
447.24182	1.3
489.24774	2.5
507.25806	2.3
545.16772	1.1
563.17633	10.6
564.18176	2.0
590.16467	3.7
605.18787	100.0
606.18933	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	649.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
59.01381	100.0
59.27153	0.4
60.01721	0.7
61.06598	0.4
61.98837	2.4
65.33479	0.4
67.01909	0.7
69.03444	0.6
70.09554	1.6
71.01388	7.8
72.99317	0.5
73.02941	7.9
83.01393	3.2
83.05081	0.4
85.02954	5.0
87.00891	0.7
88.98805	0.6
89.02442	2.8
91.36241	0.4
93.03471	1.5
95.01392	0.5
96.96028	1.5
97.02997	0.5
100.44550	0.4
101.02448	9.7
108.02225	0.8
108.81593	0.6
109.02961	0.7
111.00895	1.1
113.02466	5.5
116.92876	0.6
119.03539	1.0
121.02973	1.3
123.04548	0.7
125.02460	1.3
129.01944	1.6
131.03539	0.7
134.03769	0.4
134.98433	0.4
135.04567	0.7
137.02466	1.4
143.03511	1.0
147.02946	0.5
149.04617	1.6
149.06198	0.6
151.04001	1.0
161.04576	4.5
161.05948	0.7
163.04016	0.6
165.02025	0.6
167.03543	0.8
173.04591	1.4
175.03958	0.7
177.05638	0.4
179.03499	0.6
179.05843	0.5
179.10760	0.5
183.10231	0.6
189.05473	0.5
190.06485	0.5
191.03624	0.6
191.05629	1.5
205.03459	0.7
205.05226	1.0
221.06622	1.1
227.03595	1.0
235.09703	0.5
255.02977	2.5
284.03418	1.8
285.04196	2.0
323.74167	0.5
343.72766	0.5
356.13046	0.5
367.11743	0.5
385.12961	8.4
386.13632	0.9
440.21246	0.7
467.09875	0.7
473.16837	1.1
605.30048	1.2
614.26141	1.0
649.15094	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83481	1.1
55.01868	2.7
56.88163	1.2
59.01377	100.0
69.03452	1.8
69.20510	8.3
69.20928	2.7
71.01379	41.1
72.99300	1.4
73.02944	73.6
78.63300	1.2
83.01386	18.1
85.02934	5.7
87.00872	1.3
89.02431	8.3
89.82728	1.1
95.01381	1.6
95.32063	1.2
97.02926	1.4
98.20655	3.0
101.01794	2.5
101.02444	43.7
113.02441	7.6
116.92832	1.4
119.03506	2.9
123.00910	2.3
125.02414	3.2
131.03516	2.5
131.05034	2.5
137.02448	1.2
143.03523	3.1
144.52299	1.2
147.04517	1.4
149.04543	2.2
151.00447	1.1
155.03513	2.3
159.04500	4.2
161.04518	9.6
175.03993	3.7
191.05463	1.8
203.03487	25.0
204.04112	2.6
218.05815	29.2
219.06332	3.0
221.04572	2.1
223.07542	1.2
233.08147	28.5
234.08493	1.4
236.06848	3.9
242.11900	1.1
251.09222	3.2
264.57996	1.2
307.05969	1.8
309.07422	1.5
325.07129	1.7
335.05551	2.4
338.08667	1.1
353.06668	7.8
368.09048	6.3
383.11319	33.5
384.11508	3.3
385.12894	16.6
386.13107	1.6
545.16791	2.2
563.17609	9.2
564.17950	2.8
590.16229	4.8
605.18744	90.7
606.19073	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	648.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09892	0.2
54.10170	0.2
54.33861	0.2
59.01377	0.3
60.84496	0.3
61.98829	100.0
62.98528	0.3
69.03165	0.3
71.54828	0.4
96.41977	0.3
119.05088	0.3
220.87691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81606	0.6
54.38364	0.7
59.01378	35.1
64.09748	0.8
69.03444	0.8
85.02956	0.9
85.06593	12.7
93.03435	0.7
97.17323	0.7
97.60777	0.7
98.19869	1.6
101.02464	0.9
106.09158	0.7
113.06091	17.0
117.03431	4.0
119.05054	0.9
121.02949	0.9
131.07141	100.0
132.07484	2.8
135.04539	0.9
137.46886	0.7
159.04465	0.8
161.02454	1.7
163.04027	2.3
173.08186	55.4
174.08531	1.7
177.31793	0.7
179.03586	0.9
190.67432	0.7
216.27101	0.7
255.20889	0.7
269.04565	1.3
281.04453	1.6
282.05347	1.1
283.06104	24.3
284.06625	2.7
293.04626	1.1
311.05609	40.8
312.05939	3.0
323.05566	1.4
341.06671	3.4
431.09818	55.4
432.10010	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	649.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
64.79735	0.4
65.93591	0.5
67.01900	2.6
69.03426	0.6
70.29118	1.6
71.01385	5.1
73.02959	2.8
83.05043	0.8
85.02951	1.4
87.00898	1.3
89.02450	18.4
93.03461	18.8
96.96033	1.1
103.04015	1.7
107.04997	0.6
109.02954	1.0
111.00900	0.8
111.04552	3.0
112.42495	0.6
112.44811	0.6
119.05028	8.7
125.02471	0.7
131.03529	4.3
133.02954	0.7
134.03757	1.8
135.04530	22.4
137.02452	2.8
149.04556	100.0
150.04907	2.3
155.03496	2.4
161.02431	3.4
163.04013	11.4
173.04546	64.7
174.04942	1.9
179.03497	20.1
180.04024	1.0
191.04047	0.6
191.05547	3.3
206.08255	0.6
208.16119	0.4
311.07721	28.6
312.08084	1.9
334.62811	0.5
337.09290	24.4
338.09601	1.9
344.15784	0.6
451.12607	0.5
551.67883	0.5
598.04962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
57.03447	2.6
58.00589	3.4
58.66017	1.0
59.01381	100.0
60.01714	1.1
61.98827	3.7
65.96230	0.9
69.03480	1.9
69.31290	4.9
69.31712	4.3
71.01384	59.2
72.99304	4.2
73.02940	9.4
74.53609	1.0
83.01381	4.7
85.02957	18.5
87.00874	4.1
89.02448	51.4
93.03457	3.1
95.01385	3.8
96.95995	4.9
97.68179	0.9
99.00877	3.0
101.02444	29.3
113.02457	43.6
114.05582	1.1
119.03498	19.3
125.02386	1.5
131.03514	3.8
137.02414	1.3
143.03511	6.9
149.04550	2.6
161.04550	12.4
163.04018	1.4
173.04489	1.2
175.04138	1.2
179.05595	12.2
191.05710	5.3
201.11314	11.6
209.11807	9.3
227.12564	1.1
253.09203	2.3
269.43405	1.2
271.02338	1.9
289.07220	1.3
300.02661	3.3
301.03299	1.9
315.89188	1.1
336.98593	1.1
463.07578	1.1
467.15704	2.1
485.18219	1.2
542.24164	1.1
543.28094	55.7
544.27905	5.4
561.29156	31.3
562.29681	2.2
603.30212	4.5
609.12366	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	647.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.7
55.43895	1.2
57.03440	2.4
58.00596	3.7
59.01381	100.0
61.98830	5.4
68.99590	1.3
70.55753	2.4
70.56110	1.6
71.01383	57.5
72.99307	4.4
73.02949	7.6
83.01388	5.1
85.02953	17.1
86.86805	1.2
87.00880	4.6
89.02448	42.2
93.03454	4.5
95.01401	4.4
96.96012	10.1
97.02964	1.6
99.00888	2.0
101.02444	31.4
112.98660	1.4
113.02455	38.0
119.03506	19.4
119.05053	1.3
122.27615	1.3
125.02462	3.6
125.09727	1.6
129.01892	1.8
131.03506	2.2
137.02463	2.8
143.03528	6.9
145.51192	1.2
149.04556	3.9
161.04549	12.7
165.02003	1.5
167.03455	1.5
170.14943	1.5
173.04590	2.2
177.05415	1.3
179.05611	12.5
191.05598	7.4
201.11337	17.5
209.11864	13.0
227.12839	2.4
233.47845	1.6
253.09340	3.0
264.74374	1.2
319.87503	1.2
467.15598	2.5
485.17853	1.5
543.28101	64.0
544.28192	8.9
549.81842	1.3
561.29150	33.0
562.29266	5.0
603.30750	7.3
604.31000	1.6
629.39014	1.5
647.23291	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	647.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	9.9
58.00599	1.4
59.01381	100.0
61.98832	9.2
69.03468	1.7
69.46282	2.0
69.46690	6.2
71.01379	15.7
71.05026	1.6
73.02944	20.0
75.90279	1.2
77.04609	1.0
83.01392	7.7
83.05036	3.1
85.02975	4.4
87.00887	4.6
89.02447	19.4
89.25606	1.3
93.03474	3.8
95.04431	1.3
95.05020	1.2
96.96008	13.4
97.02950	1.6
99.00870	1.7
101.02441	10.7
107.05028	2.3
111.00871	1.4
111.04505	1.8
113.02467	2.5
121.03013	1.1
125.02446	5.0
125.06078	1.4
131.03520	6.6
134.03767	1.6
134.06197	1.3
135.04520	23.8
137.02419	3.2
145.10168	1.5
149.04556	76.9
150.04887	1.3
161.02431	3.9
161.09732	3.6
161.13354	5.2
163.11278	4.3
164.01176	1.4
178.02956	1.2
179.03479	18.9
187.11272	5.3
191.05641	7.7
193.61093	1.2
195.72168	1.2
205.12367	4.5
207.10269	15.8
219.71753	1.2
223.13383	69.2
224.13808	5.4
241.14415	1.8
249.11293	3.6
267.12363	67.7
268.12695	4.1
289.07193	1.8
291.89865	1.3
301.07169	4.6
309.13348	2.6
335.07632	13.4
381.15591	2.7
399.16544	71.8
400.16803	7.8
441.17395	2.8
454.95740	1.3
471.18091	6.6
491.11533	1.9
603.22961	32.1
604.23419	4.8
609.17914	1.4
647.15936	3.8
647.25177	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	647.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88713	0.2
59.01378	100.0
60.01714	0.9
61.98841	1.1
67.01883	0.2
68.99827	0.6
69.92545	1.4
71.01383	2.7
73.02950	0.6
80.64150	0.3
83.01421	0.3
85.02972	0.7
93.03449	0.6
98.20565	0.4
99.00880	0.4
101.02439	1.5
109.02986	0.3
113.02458	0.7
116.92860	0.6
119.02916	0.3
121.02969	1.2
123.00890	1.4
123.04544	1.0
128.01450	0.3
135.04552	0.3
135.87001	0.3
136.01653	5.4
136.02621	0.4
136.05301	0.6
138.03195	2.0
151.03998	13.7
152.04382	0.5
154.48752	0.3
159.03070	0.4
161.02518	1.4
161.04570	2.0
162.03265	0.9
162.84027	0.3
163.04021	0.9
177.05562	3.0
181.46667	0.3
189.05609	0.8
190.06505	0.4
191.05650	0.6
193.05016	1.9
224.58113	0.3
255.06606	0.6
270.08844	0.3
299.01825	0.3
311.09653	0.3
341.10486	0.6
356.12567	2.4
410.17905	0.5
425.19656	26.3
426.20078	3.3
608.28485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29556	0.5
55.24867	0.5
59.01378	100.0
60.01717	1.2
61.98832	2.1
67.47537	0.6
68.99825	1.0
69.88420	2.5
71.01388	2.0
73.02940	0.9
85.02953	1.4
88.98843	0.8
95.01395	0.7
96.96080	0.5
101.02470	1.2
113.02455	1.0
113.22353	0.5
116.92889	0.9
121.02958	1.2
123.00911	1.8
123.04532	1.1
125.02541	0.5
133.95801	0.6
136.01668	7.3
137.01918	0.7
138.03233	2.7
147.04674	0.5
151.04012	17.9
152.04385	1.0
161.02422	1.5
161.04555	1.8
162.03255	1.5
163.04091	1.1
177.05566	4.1
178.06352	0.5
179.03539	0.8
189.05672	1.3
191.05669	0.9
193.05135	2.4
209.11919	0.7
223.13446	0.6
270.09082	1.3
298.28979	0.6
309.59906	0.6
311.09482	0.6
318.89624	0.6
341.10437	1.4
356.12738	2.8
410.17130	0.8
425.19681	39.3
426.20056	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	645.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01704	0.5
61.98828	18.6
70.11684	0.9
70.12072	1.1
73.42587	0.4
76.64748	0.4
77.67924	0.4
98.19924	0.6
148.05302	17.3
163.07642	19.1
164.08003	0.7
232.12894	0.4
277.21667	2.3
296.54886	0.4
376.40955	0.5
395.85535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03436	0.3
59.01379	20.5
61.98838	2.1
62.92030	0.3
69.03466	0.6
71.01382	7.6
71.91348	0.3
72.99331	0.6
73.02944	5.0
74.45135	0.4
75.00874	0.6
80.91691	1.5
81.03476	0.6
83.01393	2.0
83.05036	1.0
84.02171	0.5
85.02956	4.1
87.00845	0.3
88.39143	0.4
89.02446	2.1
89.36366	0.4
93.03467	0.9
95.01388	0.9
96.96014	0.7
97.02940	0.6
99.04517	0.4
99.15689	0.3
101.02442	5.3
105.13443	0.4
107.05019	0.5
108.02177	1.8
109.02944	1.8
111.00894	0.7
113.02458	3.9
115.98431	0.3
117.03467	0.5
119.03522	1.0
121.02946	5.8
122.03744	2.3
123.00874	1.1
123.04539	1.5
124.01649	1.2
125.02448	1.1
133.02985	0.9
134.03755	1.5
135.04543	0.8
136.01659	67.0
137.02484	5.3
138.03217	0.6
143.03484	0.5
145.02913	0.5
146.03688	0.3
147.04543	0.8
149.06018	0.5
150.03131	0.5
151.04002	80.7
152.04320	2.3
153.01921	0.6
154.02750	0.4
159.04550	1.0
160.05272	1.7
161.02467	1.3
161.04573	0.7
161.06096	0.3
162.03230	2.5
163.03986	3.9
164.04691	0.5
165.01936	1.5
165.10457	0.4
166.02435	0.6
167.03423	0.5
172.28813	0.3
173.04594	0.8
175.03992	2.7
175.07634	1.3
176.04765	1.5
177.05559	2.6
177.31053	0.4
178.02715	0.5
179.03519	2.1
180.04170	0.7
185.11784	0.4
187.03995	1.3
188.04790	0.4
189.05565	1.7
190.06334	1.2
191.05545	0.8
191.07188	1.3
193.05029	1.1
193.08565	0.4
195.06650	0.8
203.03418	0.4
203.07108	1.0
205.04997	0.8
208.97804	0.4
218.05827	0.6
225.07648	0.7
233.08217	0.5
241.05090	0.5
250.61043	0.3
267.06586	0.6
267.19049	0.4
271.02512	0.4
297.07706	0.4
300.02646	0.7
301.03430	0.4
311.09265	0.4
311.12781	0.4
327.08600	1.0
327.12347	3.1
334.12982	0.4
338.11728	0.8
339.12329	0.8
342.11035	13.0
343.11496	1.0
357.13409	100.0
358.13745	7.8
408.15982	0.8
423.18060	2.3
441.19287	0.8
543.12012	0.4
555.22351	0.5
563.17670	2.1
585.15448	0.8
585.23431	9.7
586.23682	1.4
603.24512	5.4
604.25018	0.9
645.25275	3.6
645.35565	0.6
646.26953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77848	0.1
56.78236	0.1
57.75922	0.1
58.02578	0.1
59.01382	0.4
59.68023	0.1
61.98833	100.0
62.98547	0.2
71.01384	0.1
71.54627	0.2
85.02943	0.2
96.96008	0.7
101.02438	0.2
111.26419	0.1
135.04480	0.1
137.02449	0.2
152.01140	0.2
165.01871	0.1
167.03506	0.2
184.98282	0.1
312.11005	0.1
362.86288	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	645.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58474	0.2
57.03453	1.0
59.01386	1.2
61.98835	1.5
66.38087	0.2
69.91416	1.1
71.01383	0.9
73.02950	0.2
75.00862	0.5
78.88779	0.2
78.95908	12.4
79.95741	3.7
83.01373	0.5
84.85148	0.2
85.02950	7.1
93.03474	0.7
96.96016	100.0
96.96934	16.3
97.95959	0.3
99.00840	0.3
101.02451	0.4
108.78107	0.2
109.02988	0.3
111.00883	0.9
113.02461	0.3
113.92583	0.2
121.02879	0.3
123.04543	0.8
125.02445	0.4
129.01949	3.7
133.02975	0.3
134.03711	0.2
135.08089	0.3
137.02454	0.6
137.06160	0.2
137.09726	0.3
146.23169	0.2
147.03055	0.3
151.00323	0.3
151.07660	0.2
152.01120	0.4
155.10779	0.2
163.03957	0.2
167.03485	2.3
168.74011	0.2
173.00981	1.5
173.04597	1.1
191.01988	0.3
191.05630	1.6
193.05183	0.3
218.81206	0.2
255.03001	0.6
259.16821	0.2
271.02466	0.7
297.06326	0.3
300.02802	1.1
301.03488	0.7
303.16077	0.8
325.10861	0.6
341.05209	0.8
367.10199	0.2
367.66122	0.2
433.18723	0.5
495.19290	0.4
645.18622	0.9
645.28186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51782	0.3
55.37119	0.3
58.02976	7.0
59.01382	6.2
61.98829	4.8
70.02983	5.9
71.01380	0.9
72.00890	1.7
72.04542	1.7
73.02962	0.6
74.02475	38.2
83.29148	0.3
85.02967	0.9
96.95985	0.7
97.04966	0.4
98.02473	8.4
101.02475	0.5
113.02480	0.5
116.02728	0.4
116.03554	10.7
116.05062	12.8
125.02418	0.4
129.01917	0.3
130.06644	1.7
131.07123	0.9
142.06615	2.8
159.09303	3.0
161.04619	0.4
167.03488	0.5
169.45796	0.4
183.09232	0.9
186.05629	1.0
201.10391	2.7
203.08270	37.0
204.08566	1.9
227.03474	0.5
245.09305	100.0
246.09644	5.6
254.56816	0.4
255.02942	0.6
284.03317	1.5
285.04095	0.6
289.08362	0.4
349.18610	0.5
411.50476	0.5
459.47568	0.4
609.14325	1.2
623.03583	0.4
645.24207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
59.01390	2.3
61.98538	0.7
61.98830	8.4
65.00323	0.7
65.05451	0.4
71.01378	1.7
73.02930	0.7
83.01400	0.8
85.02942	1.8
89.02421	0.5
93.03451	0.6
95.01384	0.5
95.28452	0.4
96.95985	0.8
98.19824	0.8
101.02432	1.5
108.99270	0.5
110.00094	7.2
111.00896	1.6
113.02435	0.9
119.54842	0.5
119.82468	0.4
123.00902	0.7
125.02435	0.6
129.01936	0.7
132.05756	1.1
134.03696	0.6
135.04514	1.2
136.98795	1.6
137.02432	0.6
137.99586	5.1
139.00372	8.5
149.02444	1.3
161.02368	0.6
164.04736	0.8
164.98282	2.0
165.97662	0.8
165.99063	15.2
166.99876	3.8
167.03439	0.7
178.99756	0.5
179.03491	0.8
180.04033	0.5
183.04453	0.5
185.76015	0.4
191.05441	0.7
193.04922	0.5
193.98575	0.8
196.86555	0.4
199.03938	0.4
215.03496	0.7
216.04272	0.8
227.03416	0.8
230.35594	0.8
243.03000	2.0
244.03668	0.8
255.02908	0.8
271.02521	2.2
273.18622	3.6
274.18979	0.9
287.02161	2.4
287.04971	0.4
315.01422	4.6
316.02213	56.2
317.02527	3.0
325.10767	0.7
330.03876	1.9
331.04562	100.0
332.04904	7.5
435.23767	4.1
436.24115	2.0
479.22818	5.3
480.23340	3.0
493.09918	1.8
535.10913	22.8
536.11102	2.9
641.27594	1.3
642.28638	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86094	0.5
55.18364	0.5
59.01379	96.6
60.01712	0.9
60.54749	0.5
61.08435	0.5
61.98826	3.6
71.51785	0.5
71.52161	0.6
132.98198	1.3
132.99142	0.6
143.05917	0.6
148.41594	0.5
157.03549	6.2
159.01486	2.6
160.97649	0.6
174.99246	22.2
176.98128	6.6
201.02551	62.4
202.02724	4.2
217.00288	100.0
217.64626	0.5
218.00574	3.8
219.97739	1.6
343.03699	19.3
344.03839	3.0
359.01456	83.3
360.01636	7.7
377.16821	0.5
380.46405	0.6
501.02640	9.0
502.02856	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	643.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03432	0.6
59.01382	100.0
60.01731	0.7
60.40479	0.5
60.91248	0.5
64.96471	0.5
70.30980	2.0
71.01387	7.8
73.02951	3.8
74.38319	0.5
76.44542	0.5
83.01422	1.5
85.02959	4.9
89.02441	0.7
99.00917	1.3
101.02451	10.3
113.02477	4.2
159.02992	1.4
161.04567	4.5
168.47972	0.5
235.11864	22.7
236.12428	1.3
255.51143	0.5
277.12888	9.2
288.63489	0.6
352.98239	0.6
391.81363	0.6
427.44202	0.5
463.07932	0.6
664.93927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2486
Annotation	Cannabisin E
Peak:m/z	Relative Intensity
57.03442	2.3
59.01379	4.0
59.49459	0.6
61.98837	6.4
66.15621	0.6
71.01376	4.7
71.28158	0.6
71.55888	0.9
72.99311	1.6
73.02941	1.7
79.95737	46.3
80.96517	11.2
80.96971	1.1
83.01402	2.7
85.02946	7.6
87.00877	5.0
88.98803	2.5
89.02428	1.6
93.03510	1.0
94.98062	1.5
95.95233	2.1
96.96013	64.3
99.00885	2.0
101.02443	2.6
109.02972	0.9
111.00880	11.4
113.02444	1.1
115.00341	0.9
118.37411	0.6
120.95990	2.8
121.02975	0.9
125.02451	1.4
127.00335	1.1
127.05126	1.4
129.01950	7.1
130.08745	4.5
134.03723	0.6
135.04520	6.1
137.02402	0.8
138.97070	4.8
149.04591	1.3
154.96581	0.7
159.02982	2.8
161.02403	1.7
163.04001	1.0
165.04102	0.7
165.05487	0.7
166.06218	1.1
167.03505	1.2
179.03481	6.2
184.07300	1.9
185.16551	0.7
192.98103	1.1
209.08133	1.1
210.99199	1.9
238.98669	13.6
241.00261	9.0
256.99722	37.6
298.24725	0.7
317.17767	0.8
461.18616	1.4
463.20038	11.7
464.20465	1.2
476.03098	0.6
509.20334	2.3
510.29242	0.9
605.25696	0.8
623.34503	1.5
641.24908	100.0
641.35028	10.0
642.25281	14.4
642.35455	0.9
650.04871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.6
62.79803	0.3
69.29706	1.6
69.30130	1.3
71.01368	2.8
73.02935	2.8
80.79266	0.3
85.02943	0.8
87.00874	1.7
89.02443	17.8
93.03452	3.1
98.20731	0.4
103.03983	1.5
107.05013	0.7
109.02944	0.7
115.17210	0.3
119.05013	1.1
120.01263	0.3
123.04542	0.6
123.28770	0.3
125.02469	0.6
131.03499	6.0
133.02965	1.0
134.03746	2.1
135.04520	27.5
136.04846	1.0
137.02437	8.8
147.04466	0.5
149.04547	100.0
150.04919	2.2
151.03966	0.5
161.02437	3.3
163.04016	1.9
164.07216	0.8
165.01952	0.4
165.07553	0.3
167.03519	2.6
170.44887	0.3
173.04552	0.8
175.03928	0.4
177.01967	0.5
179.03487	21.8
180.03853	0.7
189.01971	0.5
190.02696	0.5
191.05605	7.4
191.62952	0.4
193.04997	0.7
217.04820	0.3
267.05060	0.4
280.04269	0.4
284.03137	0.4
297.04025	1.7
311.07718	31.1
312.08069	1.9
329.09000	0.5
449.08698	6.2
449.14255	0.5
450.09061	0.9
641.15289	1.5
662.72742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.173
Annotation	Brartemicin
Peak:m/z	Relative Intensity
52.50335	0.6
55.13554	0.6
57.03441	2.3
57.61179	0.7
59.01391	4.0
61.98821	2.6
65.00311	1.0
67.87099	0.6
69.03453	0.7
70.95812	1.0
70.96138	1.2
71.01381	3.0
73.02941	1.1
79.82199	0.6
81.03455	6.8
81.99739	0.7
83.01386	6.3
85.02928	3.8
87.00875	0.7
88.98782	1.0
89.02460	1.3
93.03442	2.9
95.01410	1.3
95.05022	2.2
96.96026	1.0
97.02980	1.4
101.02444	2.1
105.03439	0.8
107.01375	1.1
107.05026	0.8
108.02172	1.9
109.02941	3.7
111.04485	0.7
113.02455	1.8
115.83174	0.7
119.05027	1.7
121.02950	1.0
123.00893	1.0
123.04526	35.4
124.01649	3.4
124.04869	0.9
125.02455	13.6
135.04539	3.2
137.02449	3.6
137.06075	2.0
138.03178	0.7
139.04012	16.4
145.02940	2.1
147.04491	1.3
149.02443	4.8
151.00346	1.2
151.04066	1.6
153.01941	1.0
161.02463	1.6
161.04610	1.8
161.06093	1.7
163.04005	10.8
164.04462	0.8
165.05594	1.1
167.03496	100.0
168.03856	2.8
175.03989	2.4
177.02007	1.0
177.05551	1.5
179.03467	3.9
187.04048	1.6
188.04803	0.7
189.01941	3.0
189.05632	1.8
190.02618	1.3
191.01816	1.0
191.03503	18.0
191.05588	8.2
191.07155	1.1
193.05026	1.3
197.04546	0.9
201.05701	0.8
203.03506	6.9
203.06837	0.7
204.04274	2.8
205.03329	0.9
205.05087	11.8
206.02235	1.3
207.02852	0.7
209.04523	14.4
210.04903	1.0
217.01416	1.9
217.05020	3.6
219.06554	1.1
221.04459	1.7
231.03058	1.1
231.06628	0.9
232.03734	2.1
233.04552	82.0
234.04910	5.0
239.05609	9.8
245.04559	6.5
247.06090	5.7
250.48880	0.7
251.05783	0.8
255.93509	0.7
263.05597	19.3
264.05991	1.6
273.07831	1.1
275.05618	30.7
275.28516	0.7
276.05917	2.4
284.03256	1.2
287.05652	2.5
297.04001	1.8
299.05316	0.9
301.09305	2.9
305.06674	14.4
306.07028	0.9
311.07718	2.1
317.06665	1.1
329.08755	2.5
335.07648	2.0
339.07388	1.0
353.08771	83.7
354.09164	5.6
369.08170	3.1
371.07785	1.1
377.08972	1.0
383.09717	2.7
395.09912	2.0
423.10843	2.9
449.08801	6.6
455.12036	1.6
473.13013	45.3
474.13474	4.1
479.11880	0.9
521.12878	5.1
551.14435	1.0
557.41345	0.8
641.16760	6.9
642.17828	1.4
662.62701	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40272	0.3
55.09823	0.3
57.87977	0.3
59.01371	1.1
71.01382	3.1
73.02945	3.0
79.67425	0.3
85.02965	1.2
87.00864	2.0
89.02443	18.8
93.03450	3.0
98.03014	0.3
103.04000	1.6
107.05029	0.4
108.02190	0.3
109.02937	1.0
119.05029	1.0
121.02966	0.4
123.04533	1.2
125.02448	0.7
131.03505	5.3
133.02921	0.7
134.03790	2.0
135.04523	26.1
136.04871	1.0
137.02441	8.0
147.04553	0.4
149.04549	100.0
150.03064	0.3
150.04903	1.7
161.02444	2.7
163.04001	2.2
164.07152	0.5
165.01863	0.5
165.07620	0.4
167.03516	2.2
169.26466	0.3
173.04541	0.6
175.03995	0.5
175.87315	0.3
177.01932	0.5
179.03493	22.5
180.03860	0.8
190.02711	0.6
191.05605	5.9
193.05058	1.1
217.01422	0.3
243.02986	0.5
251.03513	0.3
297.04031	1.3
311.07718	28.6
312.07953	1.7
449.08728	5.6
449.14117	0.3
501.32330	0.3
519.86676	0.3
641.14581	1.4
642.16455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75956	0.8
58.02961	3.3
59.01371	3.5
59.05877	0.9
61.98827	2.5
67.01889	1.1
69.46269	4.0
69.46695	2.4
70.02981	0.9
71.01387	6.6
73.02900	1.5
76.82273	0.8
77.20866	0.8
78.10428	0.9
78.81998	0.8
79.05532	5.5
81.03451	6.0
83.01379	3.1
85.02951	6.5
87.00877	1.0
88.98812	1.1
89.02454	1.5
91.01884	2.6
91.05544	1.0
93.03448	1.9
95.01403	1.7
96.96006	1.0
97.02930	1.2
101.02441	4.8
105.03468	13.1
107.01377	4.2
107.04993	0.9
108.02175	6.7
109.02963	15.0
111.00850	2.1
113.02460	2.7
121.02947	2.1
122.03725	3.0
123.00848	3.5
123.04523	85.2
124.01665	1.3
124.04838	3.1
125.02422	7.3
133.02979	1.6
134.03740	1.2
135.04512	2.9
137.02434	2.1
137.06105	5.4
147.04547	5.8
149.02431	47.5
151.00343	3.9
151.03964	1.6
152.01138	10.8
153.01941	30.4
154.02251	0.9
158.85974	1.0
161.02415	2.7
162.03087	1.2
163.03984	3.8
164.07141	11.1
165.01942	1.5
165.05545	2.2
165.07463	2.6
166.02676	2.6
167.03487	63.5
168.03824	3.0
173.04526	1.8
173.05878	1.1
175.03978	1.2
177.01936	2.5
177.05434	1.0
179.03458	2.4
181.05098	1.5
191.02003	1.2
191.03519	4.6
191.05579	15.0
195.02983	2.3
203.08324	1.5
205.05049	1.0
206.08179	20.6
207.08557	7.4
209.04637	4.8
231.03178	0.9
233.04565	2.5
239.05486	1.6
243.02982	1.5
251.05533	1.0
269.06561	0.9
296.05356	3.8
297.06314	18.6
311.07730	21.8
312.07932	1.3
316.01740	1.1
353.08670	1.8
389.18060	1.0
423.10635	1.9
435.12946	5.1
447.09631	1.2
449.08737	12.3
450.09000	1.6
461.10852	2.1
479.11948	100.0
480.12146	9.2
521.13000	5.3
641.17139	96.1
642.17603	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	641.1729
Annotation	Brartemicin
Peak:m/z	Relative Intensity
52.75956	0.8
58.02961	3.3
59.01371	3.5
59.05877	0.9
61.98827	2.5
67.01889	1.1
69.46269	4.0
69.46695	2.4
70.02981	0.9
71.01387	6.6
73.02900	1.5
76.82273	0.8
77.20866	0.8
78.10428	0.9
78.81998	0.8
79.05532	5.5
81.03451	6.0
83.01379	3.1
85.02951	6.5
87.00877	1.0
88.98812	1.1
89.02454	1.5
91.01884	2.6
91.05544	1.0
93.03448	1.9
95.01403	1.7
96.96006	1.0
97.02930	1.2
101.02441	4.8
105.03468	13.1
107.01377	4.2
107.04993	0.9
108.02175	6.7
109.02963	15.0
111.00850	2.1
113.02460	2.7
121.02947	2.1
122.03725	3.0
123.00848	3.5
123.04523	85.2
124.01665	1.3
124.04838	3.1
125.02422	7.3
133.02979	1.6
134.03740	1.2
135.04512	2.9
137.02434	2.1
137.06105	5.4
147.04547	5.8
149.02431	47.5
151.00343	3.9
151.03964	1.6
152.01138	10.8
153.01941	30.4
154.02251	0.9
158.85974	1.0
161.02415	2.7
162.03087	1.2
163.03984	3.8
164.07141	11.1
165.01942	1.5
165.05545	2.2
165.07463	2.6
166.02676	2.6
167.03487	63.5
168.03824	3.0
173.04526	1.8
173.05878	1.1
175.03978	1.2
177.01936	2.5
177.05434	1.0
179.03458	2.4
181.05098	1.5
191.02003	1.2
191.03519	4.6
191.05579	15.0
195.02983	2.3
203.08324	1.5
205.05049	1.0
206.08179	20.6
207.08557	7.4
209.04637	4.8
231.03178	0.9
233.04565	2.5
239.05486	1.6
243.02982	1.5
251.05533	1.0
269.06561	0.9
296.05356	3.8
297.06314	18.6
311.07730	21.8
312.07932	1.3
316.01740	1.1
353.08670	1.8
389.18060	1.0
423.10635	1.9
435.12946	5.1
447.09631	1.2
449.08737	12.3
450.09000	1.6
461.10852	2.1
479.11948	100.0
480.12146	9.2
521.13000	5.3
641.17139	96.1
642.17603	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	641.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
59.01374	2.2
67.01884	0.8
69.17651	5.1
71.01385	2.0
74.87045	0.5
81.60200	0.6
83.01368	0.9
85.02951	10.8
87.00871	3.2
88.98804	0.7
89.02431	2.8
92.71294	0.6
93.03455	5.3
99.47942	0.7
109.02956	9.6
111.04524	0.8
117.03482	0.8
119.05022	3.6
121.02949	2.6
123.04527	2.7
125.02473	3.2
127.03991	2.5
133.02921	1.4
134.03780	3.5
135.02979	1.0
135.04521	4.1
137.02466	3.1
139.03998	0.6
146.03690	0.8
147.04549	1.9
149.02444	2.6
149.04565	10.5
149.05775	1.1
151.04031	2.2
161.02449	7.8
161.06145	0.6
162.03181	1.9
163.00336	1.6
163.04012	7.7
164.01167	1.4
165.01942	4.8
167.03523	1.2
171.03027	0.7
171.04475	1.3
172.05138	0.6
173.02443	1.1
173.04500	1.7
173.06026	1.1
174.03212	1.6
175.03983	4.6
176.01146	1.6
177.01941	9.0
178.02721	0.9
179.03471	3.4
185.06096	0.8
187.04013	1.2
189.01907	9.3
189.05606	0.8
190.02730	7.9
191.05602	74.0
192.05914	1.8
193.05064	3.8
199.03983	1.9
201.01909	1.4
201.05595	0.7
202.99939	0.7
203.03508	1.1
205.01300	0.8
205.05008	0.9
211.04062	1.4
212.04759	1.0
213.05550	1.6
216.00594	1.2
217.01474	7.2
217.05038	4.6
225.05539	1.8
225.11192	0.7
227.03517	1.4
228.04404	0.8
229.05028	1.3
229.08611	0.8
231.02956	2.2
231.06496	0.7
240.04236	1.2
241.05052	2.1
243.02959	3.2
243.06674	1.1
253.05086	2.5
255.02953	2.1
255.06779	1.5
256.03775	2.0
257.04526	0.7
265.05020	0.9
269.04526	3.6
271.06079	2.2
281.04584	2.9
283.02475	1.9
283.05984	0.9
284.03232	9.0
285.03949	4.1
289.07040	0.9
295.06082	1.5
296.07208	0.7
297.04059	21.9
298.04584	2.3
299.05524	4.4
311.07770	7.9
325.03552	2.1
327.05051	1.7
339.05243	0.9
363.08731	0.7
381.09827	0.8
405.09903	1.1
423.11002	7.1
424.11200	0.7
449.08752	100.0
450.09091	11.5
479.11859	0.9
596.79645	0.7
641.14984	12.6
641.25092	0.9
642.14941	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	641.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50034	0.6
54.02262	0.7
58.02970	0.8
59.01384	2.6
60.25757	0.7
69.58126	4.5
71.01380	2.1
73.02940	0.8
81.52168	0.6
83.01397	1.5
85.02950	12.5
87.00866	3.3
87.34129	0.6
89.02453	0.7
93.03452	5.5
97.02936	0.8
98.20729	0.7
99.60484	0.6
101.02482	1.0
101.42182	0.6
108.02150	1.2
109.02950	9.4
111.04536	0.9
120.99655	4.0
121.02939	2.4
122.03751	1.0
123.04521	3.2
125.02449	3.3
127.04009	2.2
133.03033	1.5
134.03717	1.2
135.04491	2.3
137.02405	2.1
139.04008	0.7
146.03770	1.9
147.04552	3.4
149.02437	2.4
150.74628	0.8
151.03981	2.7
157.20616	0.7
157.71257	0.6
159.04568	0.8
161.02423	7.1
161.06035	0.9
162.03241	2.5
163.00392	2.1
163.04053	1.6
164.01175	1.3
164.04800	1.0
164.07158	4.9
165.01897	7.0
165.07532	0.9
167.03491	1.0
171.04420	1.2
173.02434	0.8
173.04512	1.9
173.06082	1.8
174.03171	1.1
175.03969	4.0
176.01184	2.1
177.01913	9.7
177.05669	0.7
178.02487	1.1
179.03401	1.0
179.07114	0.9
185.06094	0.9
187.04066	1.4
189.01942	10.7
189.05563	1.4
190.02722	7.7
191.03709	4.2
191.05608	82.2
192.05962	2.6
197.06102	0.8
199.04004	2.1
201.01970	0.8
203.03528	0.8
204.00633	0.9
205.01404	1.1
205.04977	1.3
206.08206	7.2
207.08507	1.5
209.06094	0.8
211.04016	1.3
212.04839	0.8
213.05534	1.3
216.00519	1.4
217.01421	8.1
217.04918	4.1
218.01968	1.2
219.02733	0.7
225.05618	1.5
225.11349	0.8
227.03436	2.3
227.07124	1.1
228.04242	0.8
229.04881	1.2
229.08542	0.7
231.02943	2.8
231.06586	1.0
231.99510	0.7
240.04314	0.8
241.05034	2.4
243.02907	1.9
243.06615	1.6
253.05125	2.4
254.05736	0.7
255.02946	2.0
255.06528	1.1
256.03683	1.8
257.04602	0.9
259.06317	0.9
267.03033	0.6
267.06540	0.8
269.04520	4.5
270.05219	0.8
271.06213	1.1
281.04514	3.2
282.05032	0.9
283.02753	0.7
284.03290	10.7
285.04001	4.3
287.05402	0.7
289.06976	0.8
295.06180	1.0
296.06879	0.8
297.04041	22.2
298.04507	1.8
299.05563	4.4
309.03986	0.9
325.03625	2.6
327.05096	2.4
339.05325	0.9
340.05954	0.7
341.06494	1.2
362.74704	0.8
405.09644	1.4
423.10809	5.2
449.08749	100.0
450.02951	0.5
450.09036	13.3
581.27710	1.1
641.15125	18.1
641.25244	0.7
642.15558	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	640.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.4
58.02977	14.3
59.01387	4.6
60.12338	0.4
61.98819	1.4
65.41340	0.3
69.44081	0.4
70.02981	4.3
71.01382	1.7
71.55048	0.4
72.00909	3.0
73.02943	0.6
81.03474	0.7
83.01402	0.4
85.02945	2.8
87.00861	0.6
91.05524	3.1
92.04160	0.4
93.03452	1.2
101.02449	1.0
103.05534	0.6
105.93620	0.4
106.14255	0.4
108.02141	0.6
109.02942	1.2
113.02431	1.0
123.04501	3.8
125.02448	2.6
129.01906	0.5
133.02959	0.5
135.04527	1.6
137.02458	0.8
144.44905	0.4
147.04527	18.8
148.04886	0.6
149.01460	0.4
149.02417	2.5
151.04012	0.7
152.01170	0.8
153.01894	1.2
155.03529	0.5
161.02438	1.4
162.09309	0.8
163.03975	0.5
164.07161	53.5
165.01894	0.6
165.07495	1.5
167.03476	3.5
173.04520	1.5
175.04073	0.5
177.01849	0.5
179.03571	0.6
191.01921	0.7
191.03667	0.8
191.05609	5.8
203.08374	0.7
206.08220	100.0
207.08563	4.5
211.76216	0.4
248.19666	0.4
250.07228	1.7
289.07181	0.8
297.03671	0.8
311.07587	1.5
315.04926	0.5
353.08658	0.8
389.18155	15.1
390.18481	1.2
423.10892	0.5
449.08719	5.7
479.12057	4.2
640.16461	1.2
641.16425	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	641.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78270	0.6
59.01380	1.8
67.01884	0.7
71.01385	2.7
71.53168	1.1
83.01379	2.6
83.05009	0.8
85.02953	14.8
87.00869	2.8
90.66080	0.6
93.03455	8.0
95.01390	1.2
97.02944	1.0
98.91591	0.8
108.02196	0.7
109.02935	6.4
111.04523	1.8
119.05013	4.4
120.01279	0.7
121.02938	1.3
123.00847	1.0
123.04504	5.0
125.02451	3.3
127.04018	2.6
128.02570	0.6
137.02432	2.0
139.03999	1.2
145.02945	1.0
147.04485	1.8
149.02357	1.9
150.03256	0.9
151.03983	1.9
153.01949	7.2
155.05049	1.7
159.04509	2.3
161.02467	2.0
161.06107	1.1
162.03073	0.8
163.00342	4.3
163.04010	5.7
164.04341	1.0
165.01944	1.2
165.05542	1.2
169.06621	1.0
171.03052	0.9
171.04478	1.5
173.02420	4.4
173.04561	3.2
173.05858	0.8
174.03198	6.9
175.04001	15.4
176.04482	0.9
177.01924	1.3
181.06567	1.7
182.03766	1.0
183.04466	1.9
185.06070	1.8
187.04037	3.5
189.01918	1.8
189.05571	2.7
191.05608	100.0
192.05965	3.1
196.05281	1.3
197.06049	1.7
198.03249	2.4
199.03999	13.7
200.04576	1.1
201.01907	4.0
201.05559	1.5
201.12459	1.1
203.03607	1.0
205.04994	2.4
208.05182	1.1
209.06064	5.9
210.03137	1.1
211.04008	8.5
212.04803	2.0
213.05559	4.4
214.02747	2.2
215.03432	4.5
217.01529	0.9
217.05084	4.1
223.03954	1.0
224.04575	1.0
225.05576	7.7
226.06236	0.8
227.03378	3.2
227.07094	0.8
228.04150	0.9
229.05173	3.4
231.02995	2.5
231.06552	0.8
235.04044	2.7
237.05663	0.9
239.03470	2.1
240.04301	2.4
241.05025	4.0
242.02278	1.6
243.02968	28.1
243.06743	1.4
243.13535	3.0
244.03465	1.5
245.04756	1.0
247.06093	1.2
251.03450	7.0
253.05034	19.6
254.05644	2.7
255.02892	1.6
255.06569	2.7
257.04565	1.5
259.06042	1.0
269.04489	1.6
271.06174	3.0
273.04071	4.3
279.03024	5.0
281.04587	3.0
285.04001	1.3
289.07159	1.1
297.04041	54.3
298.04343	4.2
299.05292	1.1
315.07275	1.6
325.03629	1.0
363.08752	4.6
381.09836	2.0
405.09790	10.4
407.07657	1.9
408.08075	1.2
423.10861	10.8
424.11087	1.6
431.07681	2.5
449.08768	70.9
450.09097	6.0
467.09628	1.3
489.10181	2.1
641.15027	13.4
641.25012	1.0
642.15753	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	639.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.7
61.98833	100.0
70.22142	0.4
78.95923	0.4
90.75730	0.2
97.55090	0.2
116.92812	0.5
277.21790	0.3
317.45651	0.2
372.58325	0.2
447.75754	0.3
501.94830	0.2
555.28363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82822	0.4
56.86042	0.4
57.03452	0.5
59.01370	1.9
60.99303	0.9
61.98829	100.0
63.78875	0.4
70.55635	1.3
71.01403	1.0
73.02938	0.6
85.02967	3.9
88.98804	6.0
89.02450	0.7
93.03459	0.5
110.00132	1.4
123.04531	1.5
125.02451	0.5
133.02943	2.3
134.03781	0.5
136.98781	0.5
137.02423	0.6
137.99643	0.6
139.00291	0.5
139.04015	1.1
149.02515	0.7
151.04041	2.3
153.01936	1.8
164.98264	4.3
165.99068	3.7
167.03485	1.3
173.02454	0.5
175.00311	0.4
183.03055	0.5
183.04405	2.1
190.02747	0.8
191.01884	0.5
193.05103	0.6
194.09816	0.4
199.04041	1.0
201.01990	0.7
205.05075	0.7
206.49670	0.4
215.03450	1.0
223.06201	0.8
226.02841	0.5
226.86346	0.4
227.03479	2.8
242.02309	0.6
243.03023	1.1
255.02983	2.5
269.04526	0.5
270.01602	5.4
271.02390	3.8
284.27045	0.4
285.04034	2.8
296.89169	0.5
298.01126	0.6
299.01959	22.8
300.02576	1.7
313.03485	8.6
313.06845	0.8
314.04297	64.3
315.04755	6.7
328.05869	3.8
329.06638	95.7
330.07007	7.2
371.07370	0.5
397.07742	1.0
441.08499	1.1
496.15436	0.5
511.12445	0.6
533.12939	16.2
534.13373	1.2
640.32880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91885	1.4
55.01863	1.7
57.03445	4.4
58.02969	4.5
59.01377	77.7
61.98837	1.9
69.46983	11.3
69.93739	1.3
71.01382	29.4
72.99306	2.5
73.02944	12.5
74.99096	2.1
81.03474	1.6
83.01386	5.8
84.50863	1.3
85.02950	27.0
87.00872	4.3
88.54857	1.7
89.02438	7.4
93.03490	7.5
95.01357	2.2
97.02930	2.6
99.00899	4.4
101.02438	25.2
103.12414	1.4
109.02931	4.2
111.00889	3.7
111.04545	1.7
112.01670	2.0
113.02447	13.4
118.98100	10.9
119.03513	2.4
120.01244	3.5
121.02933	3.0
123.04549	2.6
125.02454	8.2
129.01944	5.1
133.02875	1.9
134.03760	1.6
135.04524	3.6
137.02396	2.7
143.03465	3.8
149.02499	1.8
149.04532	4.2
150.03152	1.8
151.03996	2.5
159.02989	2.9
161.02419	2.1
161.04561	7.5
161.05765	1.5
163.03909	1.5
164.07182	3.8
173.04579	4.1
175.03954	2.1
179.03465	1.8
191.05612	32.6
193.04988	1.8
196.75488	2.0
203.07092	3.2
205.03453	2.7
206.08197	11.7
207.08533	4.4
239.16348	3.6
245.08171	2.0
289.07166	17.5
290.07492	2.0
311.07568	2.3
327.07141	5.1
367.10266	8.5
373.22330	3.7
391.23389	7.8
501.87967	1.7
535.27570	100.0
536.27802	12.7
553.28564	37.8
554.29205	6.4
579.30090	3.4
595.29816	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	639.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	45.5
60.36036	1.7
61.98832	18.4
71.01386	40.3
71.54513	1.8
76.12394	1.7
79.95313	2.0
83.01411	2.6
84.35789	1.7
85.02963	6.5
87.00868	8.7
89.02446	42.1
96.66282	1.9
101.02447	18.9
102.07658	1.9
103.32884	1.8
104.87270	1.9
113.02452	20.6
119.03506	19.3
125.02481	2.4
141.01979	2.1
143.03493	6.4
161.04559	7.4
179.05643	17.6
224.12592	2.2
255.23294	100.0
256.23618	6.7
269.24860	5.3
297.24292	3.5
323.09808	35.1
335.25757	1.8
341.10852	54.2
342.11356	3.4
343.01190	2.6
579.33716	33.8
580.34045	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	639.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.5
57.03445	4.2
58.02974	7.0
59.01379	80.8
69.16423	11.7
69.16836	3.4
71.01379	35.9
73.02943	11.0
74.99095	1.9
81.03451	2.4
83.01398	6.3
85.02953	25.6
87.00871	6.1
88.98816	1.6
89.02450	7.2
93.03432	8.1
95.01377	4.0
97.02952	3.5
99.00883	7.1
101.02444	28.2
102.91039	2.2
109.02937	4.2
111.00880	3.4
111.04547	2.0
113.02459	16.0
118.98093	11.8
120.01245	5.1
121.02943	1.8
123.04488	2.5
125.02427	10.8
129.01988	7.7
134.03717	1.5
135.04594	2.5
137.02435	2.1
143.03491	2.0
149.04536	6.0
151.04010	2.4
159.02933	1.9
161.02487	1.8
161.04527	9.2
164.07161	4.5
173.04512	3.2
179.03496	2.0
191.05635	30.3
193.05151	3.0
203.07178	3.0
205.03517	3.5
206.08159	11.1
207.08456	3.0
211.04196	1.5
239.16544	5.8
245.08167	2.1
270.16190	1.7
283.15488	3.0
289.07214	18.3
290.07703	2.6
327.07318	6.1
339.11996	1.7
367.10162	9.9
391.23312	5.2
535.27588	100.0
536.27905	11.9
553.19940	2.8
553.28601	40.0
554.28784	3.6
579.30054	2.8
595.29553	16.6
596.30536	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	639.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
59.01381	2.7
60.99303	15.7
61.98825	6.9
63.45202	0.3
69.39617	1.4
69.40047	1.0
71.01380	1.3
73.02953	0.7
75.00867	0.9
83.01388	0.5
85.02953	11.3
87.00874	1.3
87.16911	0.4
88.00391	1.2
88.98804	100.0
89.02442	10.6
93.24850	0.3
96.95987	0.4
98.19897	0.5
99.00909	0.3
101.02429	0.6
111.00881	1.7
116.92829	0.7
118.19481	0.3
119.05000	0.5
121.02961	0.8
123.04419	0.4
125.02421	0.5
129.01949	4.0
134.03714	0.5
135.04521	1.2
137.02437	0.4
139.04036	0.7
145.02975	0.4
147.03012	0.8
149.06038	0.4
153.05611	0.5
161.02400	0.4
163.03949	0.5
167.03546	0.8
173.00922	2.6
179.03481	1.3
190.02710	0.3
191.01964	1.6
193.05113	0.7
197.04599	1.8
208.86584	0.3
209.04633	0.5
223.13293	0.4
265.07071	0.4
267.12445	0.5
300.02856	0.5
333.83041	0.4
371.06088	1.4
441.21341	0.5
446.45621	0.4
507.18622	0.6
639.23236	0.5
639.33142	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54062	0.4
55.01875	1.9
57.03450	15.4
59.01379	11.8
59.75519	0.4
60.99272	0.4
61.98835	3.3
67.01907	0.5
68.99812	0.5
70.94017	1.1
71.01381	3.6
72.99288	0.8
73.02952	1.4
75.00879	3.4
83.01398	4.9
84.02166	1.7
85.02952	100.0
86.03280	1.5
87.00876	1.8
88.98812	1.1
89.00332	0.6
89.02468	1.0
93.03432	0.6
101.02439	1.5
103.00352	3.6
106.00586	0.8
107.04975	0.8
108.02175	0.5
109.02933	0.9
111.00880	12.6
119.05013	0.6
120.05877	0.5
121.02962	11.5
123.00893	1.0
123.04482	1.1
125.02457	0.8
127.00368	0.7
129.01945	47.1
130.02359	0.5
135.04530	2.9
137.02446	0.8
138.03268	1.3
139.00378	1.2
139.03996	0.5
141.02020	0.5
145.01305	0.6
147.02989	12.0
148.03360	0.5
149.02469	0.5
149.06073	0.9
153.05565	7.9
154.00949	0.9
154.99864	1.1
161.02496	1.1
161.09764	1.1
164.98283	0.8
166.99884	0.9
167.03520	1.9
172.99451	1.0
173.00911	16.9
173.02408	1.0
175.03923	0.5
177.05568	1.3
179.03474	1.9
182.02220	1.5
187.11285	1.4
191.01968	10.6
191.03641	0.8
191.05627	0.7
193.05052	2.5
197.04549	22.1
198.04941	0.8
199.09612	0.5
205.05087	0.7
205.12369	0.6
209.02989	1.1
209.04724	0.6
221.04572	2.9
222.05156	0.8
223.05977	0.6
223.13391	6.5
231.06703	0.7
237.07698	1.1
249.11351	0.9
265.07138	3.5
267.12332	8.1
273.77182	0.4
309.06171	0.6
313.09329	2.1
327.07208	5.0
331.10284	1.3
353.05029	0.5
371.06137	10.0
389.06903	1.3
389.10803	1.5
397.14862	3.4
423.12515	0.6
425.51428	0.6
441.14081	6.0
442.14301	0.5
459.15076	10.6
460.15417	0.8
477.19897	0.6
623.75726	0.5
639.19159	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	639.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71967	1.6
55.01874	2.3
55.77504	2.1
57.03450	13.9
58.02982	5.4
59.01382	8.8
71.01379	9.4
72.02173	3.7
72.99315	15.6
73.02955	6.2
75.00883	4.6
81.03457	25.6
81.46367	1.9
83.01391	7.6
85.02957	65.5
87.00885	2.7
87.04526	4.9
87.06553	1.8
89.02436	7.0
95.05025	3.8
96.95994	3.0
97.02956	7.0
99.00888	14.2
99.04514	2.4
101.02444	6.0
108.02191	3.1
109.02959	16.7
111.00891	17.4
113.02466	7.0
118.98083	1.7
121.02953	15.4
123.04539	15.1
125.02460	70.5
126.02834	2.6
129.01958	42.6
131.03522	3.7
132.05812	1.9
133.02992	18.7
135.04549	12.0
137.02444	7.6
139.04019	3.9
143.03510	9.7
147.04546	1.9
149.02588	4.0
149.04581	43.3
151.00314	3.2
151.04019	8.5
159.04524	2.2
161.02512	3.2
161.04562	8.5
161.06078	5.4
164.01189	3.8
164.07187	4.8
165.01889	2.8
165.12944	2.2
167.03519	2.6
174.52704	2.1
175.04056	2.4
177.01932	2.3
179.03456	10.9
187.02417	2.8
187.04041	3.8
188.04800	2.5
191.05626	5.5
195.03008	10.9
197.15437	6.5
203.07172	8.5
205.03522	100.0
205.05084	5.2
206.03836	2.1
206.08226	9.1
207.08566	4.7
221.08131	3.3
239.16516	50.8
240.16760	3.4
241.14458	6.1
245.08133	13.4
271.02475	11.1
271.05655	1.7
283.15594	28.0
285.03909	2.8
289.07196	91.9
290.07550	4.4
299.01984	21.4
300.02747	13.7
309.06088	2.3
311.07721	15.1
313.03607	7.3
314.04272	5.6
315.04993	16.3
327.07245	65.7
328.07550	3.8
357.06290	4.2
387.16599	5.4
388.16809	2.1
400.70844	1.7
412.28745	1.8
477.10361	39.9
478.10693	4.5
519.11639	2.7
590.07367	2.0
639.16046	7.5
640.31683	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	639.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.20274	0.4
57.03450	6.0
58.23914	0.4
59.01379	6.6
60.99308	14.6
61.98830	14.5
71.01376	1.5
73.02937	0.7
75.00849	0.6
83.01389	1.6
84.02174	0.6
85.02950	46.5
86.03279	0.7
86.11104	0.4
87.00898	0.9
88.98805	100.0
89.02445	1.0
89.99167	1.0
93.03477	0.6
96.96002	0.6
98.19924	0.9
101.02442	0.9
103.00361	0.5
107.04990	0.4
111.00878	3.4
113.02504	0.5
119.04967	0.4
121.02951	3.4
123.00932	0.5
124.01644	0.5
125.02433	0.8
129.01952	9.1
134.03766	0.7
135.04504	0.7
136.85478	0.4
137.02419	1.0
139.00359	0.6
139.04012	0.7
141.88843	0.4
147.02994	4.7
149.02400	0.7
153.05583	1.8
153.44974	0.4
161.02435	0.5
163.04034	0.4
164.04761	0.5
173.00906	4.5
182.02165	0.6
191.01993	5.6
191.05618	0.5
197.04541	3.9
198.05019	0.5
204.04102	0.5
209.02931	0.5
219.06644	0.6
222.05379	0.5
223.05992	0.8
223.13341	2.4
229.03983	0.4
265.07190	2.1
267.12411	2.4
271.02411	1.1
274.53732	0.4
285.04053	0.5
299.01938	1.5
313.03348	0.7
314.04254	2.6
315.05383	0.6
315.16037	0.6
327.07248	1.6
329.06659	6.8
332.44617	0.4
356.39719	0.4
369.09714	0.4
371.06265	3.3
389.07510	0.5
397.15103	0.8
441.14139	2.5
459.14972	6.8
460.15436	0.6
549.16052	6.1
556.59485	0.5
639.18958	1.9
639.33270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71967	1.6
55.01874	2.3
55.77504	2.1
57.03450	13.9
58.02982	5.4
59.01382	8.8
71.01379	9.4
72.02173	3.7
72.99315	15.6
73.02955	6.2
75.00883	4.6
81.03457	25.6
81.46367	1.9
83.01391	7.6
85.02957	65.5
87.00885	2.7
87.04526	4.9
87.06553	1.8
89.02436	7.0
95.05025	3.8
96.95994	3.0
97.02956	7.0
99.00888	14.2
99.04514	2.4
101.02444	6.0
108.02191	3.1
109.02959	16.7
111.00891	17.4
113.02466	7.0
118.98083	1.7
121.02953	15.4
123.04539	15.1
125.02460	70.5
126.02834	2.6
129.01958	42.6
131.03522	3.7
132.05812	1.9
133.02992	18.7
135.04549	12.0
137.02444	7.6
139.04019	3.9
143.03510	9.7
147.04546	1.9
149.02588	4.0
149.04581	43.3
151.00314	3.2
151.04019	8.5
159.04524	2.2
161.02512	3.2
161.04562	8.5
161.06078	5.4
164.01189	3.8
164.07187	4.8
165.01889	2.8
165.12944	2.2
167.03519	2.6
174.52704	2.1
175.04056	2.4
177.01932	2.3
179.03456	10.9
187.02417	2.8
187.04041	3.8
188.04800	2.5
191.05626	5.5
195.03008	10.9
197.15437	6.5
203.07172	8.5
205.03522	100.0
205.05084	5.2
206.03836	2.1
206.08226	9.1
207.08566	4.7
221.08131	3.3
239.16516	50.8
240.16760	3.4
241.14458	6.1
245.08133	13.4
271.02475	11.1
271.05655	1.7
283.15594	28.0
285.03909	2.8
289.07196	91.9
290.07550	4.4
299.01984	21.4
300.02747	13.7
309.06088	2.3
311.07721	15.1
313.03607	7.3
314.04272	5.6
315.04993	16.3
327.07245	65.7
328.07550	3.8
357.06290	4.2
387.16599	5.4
388.16809	2.1
400.70844	1.7
412.28745	1.8
477.10361	39.9
478.10693	4.5
519.11639	2.7
590.07367	2.0
639.16046	7.5
640.31683	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	639.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83813	1.0
57.96046	1.0
59.01371	4.8
61.98828	10.0
71.01373	3.2
71.54436	1.4
77.03988	3.5
78.46355	1.3
81.15367	1.1
85.02974	1.6
87.00861	4.1
89.02438	7.7
93.03440	1.7
95.05029	6.4
95.05561	1.0
96.96020	1.8
100.29666	1.0
101.02414	1.5
101.94972	1.3
105.03465	19.3
107.22661	1.0
109.02924	1.7
116.92851	1.9
121.02940	2.9
123.04516	15.6
131.03522	2.5
132.02179	1.3
133.02962	100.0
134.03693	4.3
135.04521	18.0
137.02460	9.1
137.06186	1.2
139.04024	3.6
149.02449	2.5
149.04555	33.0
150.03207	3.5
151.04030	7.3
177.01926	78.1
178.02707	15.5
179.03496	13.6
181.05023	1.4
195.02998	9.2
209.00932	1.4
226.02736	2.4
242.02185	7.0
265.07117	8.0
266.07889	2.6
270.01709	28.8
271.02365	5.1
285.04092	8.7
298.01126	4.0
309.06165	13.2
310.06882	3.9
311.07715	6.7
313.03531	30.2
314.04120	5.0
328.05875	21.5
329.06479	5.1
334.19534	1.1
366.44342	1.4
433.58969	1.2
603.24561	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	637.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	41.4
61.98827	12.5
71.01379	36.8
73.02943	3.9
80.96556	3.2
85.02954	4.8
87.00874	7.4
89.02447	50.2
98.99226	2.8
101.02422	16.4
113.02431	22.7
119.03489	18.3
139.04001	4.7
143.03506	8.0
161.04517	10.4
179.05612	34.5
215.03230	15.3
277.21704	100.0
278.22064	8.6
319.22620	4.7
323.09808	46.4
341.10876	69.1
342.11194	4.1
601.32306	53.6
602.32764	6.0
637.29755	46.0
638.29865	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	637.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.8
59.01380	24.6
59.46070	2.0
61.98829	13.0
71.01388	14.6
71.73853	1.8
73.02930	10.7
78.95872	2.0
81.03445	4.6
83.01385	7.3
85.02940	20.9
86.03259	1.9
86.53388	2.2
88.98829	3.7
89.02455	3.7
93.03471	3.9
95.01402	3.9
95.05023	4.2
96.96019	5.5
99.00846	2.5
101.02464	6.1
107.01385	3.2
109.02957	17.3
111.00861	4.3
113.02440	5.7
116.92870	2.3
119.05015	2.4
121.02934	12.2
121.35448	1.9
123.00890	6.3
123.04524	36.6
125.02440	18.6
129.01924	7.1
134.03740	2.2
135.04478	6.2
136.01657	2.7
137.02451	27.9
139.00356	2.1
139.03972	5.0
143.04961	4.4
145.02951	8.5
145.06526	2.5
146.03711	6.1
147.03029	3.0
147.04474	6.6
149.02397	6.9
151.00375	11.8
151.04025	6.9
159.04504	21.6
160.05309	9.4
161.02356	3.3
161.06082	62.1
161.07431	3.1
162.03127	2.3
162.06598	2.4
163.03984	3.2
163.07588	3.0
164.04761	4.2
165.01942	45.7
166.02298	3.2
167.03511	35.9
172.05305	2.2
173.00970	2.2
173.04768	2.9
173.06067	83.6
174.06384	4.8
175.03979	5.5
179.03477	8.5
180.04285	67.8
181.04781	3.0
189.05522	3.7
190.99913	2.5
191.01921	3.2
191.03540	3.3
191.05547	4.7
191.07153	7.2
193.05074	2.8
195.06628	41.9
197.04553	3.8
209.04512	12.0
217.05019	3.1
219.02991	5.3
221.04428	11.9
223.06052	5.2
233.04488	6.1
235.06056	3.2
239.05489	5.0
244.21184	2.1
247.06223	2.6
251.05524	17.4
252.06050	2.0
265.04855	2.4
270.01514	2.8
274.54538	2.2
277.05045	3.5
281.06714	12.5
293.04474	6.6
295.06107	8.0
301.03415	2.8
308.06934	7.2
309.56863	2.1
310.08444	2.5
311.05634	8.8
313.03714	2.2
313.07187	3.4
323.05646	4.9
323.09094	4.0
325.10788	8.0
326.07928	8.0
329.03033	2.2
335.09174	2.4
337.10712	5.8
338.07730	3.5
341.10266	100.0
342.10516	8.3
343.11871	13.3
353.10300	51.4
354.10806	3.7
364.79135	2.0
371.11343	76.0
372.11676	6.9
475.12384	2.4
522.41064	2.3
547.14594	5.8
593.18750	3.1
637.17346	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01385	2.7
61.68652	0.5
61.98838	0.9
65.76955	0.5
69.94769	1.9
71.01389	2.1
73.02950	0.5
74.02493	0.6
76.25584	0.5
79.05553	3.3
81.03460	3.6
82.26744	0.5
83.01400	0.8
85.02955	3.7
95.04994	0.7
96.96014	0.9
97.61924	0.6
101.02431	0.8
105.03468	8.7
109.36474	0.5
110.80297	0.5
111.00892	1.3
113.02470	1.1
117.03470	16.8
118.03799	0.8
119.05035	14.5
120.05389	0.7
121.02940	1.1
122.03769	2.0
123.04534	46.3
124.04836	1.0
125.02409	0.9
129.01909	1.8
133.06606	0.6
134.03766	0.6
135.04500	1.6
137.02422	0.6
137.06088	0.6
139.00348	0.5
145.02960	100.0
146.03261	2.7
147.04507	1.3
149.02446	39.3
150.02904	0.9
151.03918	0.7
161.02477	1.4
161.06064	1.2
163.04016	15.0
164.04367	0.8
165.05589	2.1
166.02736	0.7
167.03496	21.5
168.03827	0.8
173.08212	0.6
175.04060	0.6
179.03465	1.2
183.12140	0.5
187.03960	1.0
191.03490	1.1
191.05524	0.6
192.04297	0.6
193.05067	1.8
195.06642	1.0
197.04456	0.6
205.05048	0.9
207.02895	0.7
209.04541	4.8
235.02541	0.8
237.03946	1.0
239.05655	1.0
245.09525	0.7
263.15369	0.5
265.03439	0.9
267.05038	0.5
307.08255	11.5
308.08771	0.6
329.08725	1.2
341.10098	0.8
385.18353	0.6
407.46802	0.6
431.13715	2.1
462.10901	0.5
475.12466	60.9
476.12622	5.8
517.13715	0.6
539.16803	0.6
637.17749	78.0
638.17969	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	637.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
61.04825	0.3
69.87057	1.7
71.01395	2.0
73.02961	0.4
74.02505	0.8
79.05539	3.9
81.03455	2.2
85.02944	1.9
93.03465	0.4
93.70509	0.3
96.71114	0.3
98.02425	0.3
101.02432	1.0
105.03476	3.4
113.02473	1.0
115.75597	0.4
117.03477	16.7
118.03845	0.4
119.05034	10.5
121.02950	0.7
122.03761	0.4
123.04539	39.3
124.04861	1.0
129.01949	0.5
134.03738	0.5
135.04488	0.5
137.02472	0.4
137.60019	0.3
139.00360	0.4
145.02965	74.1
146.03316	2.2
147.04549	0.5
149.02461	18.7
150.02797	0.5
151.10049	0.4
161.02417	0.6
161.04597	0.8
161.06064	0.9
163.04018	8.1
164.04271	0.5
165.05566	0.6
167.03503	15.2
168.03842	0.4
187.04041	0.6
191.01894	0.4
193.05125	0.9
203.08351	0.7
209.57217	0.3
245.09329	1.9
247.06065	0.4
307.08243	7.8
329.08850	2.3
431.13440	5.4
432.13876	0.6
475.12485	100.0
476.12805	10.0
480.56445	0.4
550.42041	0.4
593.19073	0.8
593.76984	0.4
637.17902	3.9
638.17950	0.6
664.18225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.1
60.99308	15.2
61.98829	3.0
62.30292	0.3
67.84943	0.3
70.55505	0.5
70.55835	0.7
71.01395	0.4
72.19593	0.3
85.02959	0.7
87.00882	1.5
88.00388	1.7
88.98809	100.0
89.02445	15.3
89.03018	0.6
89.99154	0.8
90.02829	0.3
93.03460	0.4
93.37661	0.4
96.96033	0.6
111.44110	0.3
124.86909	0.3
135.04532	0.4
167.03482	0.5
183.10245	0.3
193.05066	0.3
223.06032	0.5
256.41443	0.4
326.32394	0.3
431.17886	0.3
440.20575	0.8
542.58020	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43195	0.5
52.87346	0.5
55.01883	0.5
55.64931	0.5
59.01374	3.0
61.98817	1.1
71.00535	1.2
71.01378	4.5
73.02951	2.7
81.03441	0.6
81.22368	0.5
83.01391	0.9
85.02950	1.9
87.00955	0.7
89.02450	1.4
91.01915	0.8
92.53355	0.5
93.03457	1.6
95.01414	0.8
96.96035	0.8
99.00899	0.8
101.02465	2.9
107.01402	1.6
108.02163	2.1
109.02948	9.0
111.00878	0.8
113.02454	2.9
116.92861	5.8
117.01958	2.2
117.03432	2.7
119.05026	100.0
120.05370	3.4
121.02942	1.2
123.00912	1.6
123.04528	4.3
135.04468	0.6
145.02946	8.1
150.03047	0.5
151.00401	2.7
151.03995	0.8
152.01123	4.4
153.01938	19.2
159.04520	0.6
161.06064	1.2
163.04005	50.4
164.04364	1.9
166.02657	0.7
167.03479	15.8
168.03844	0.6
171.04478	2.1
177.05551	8.8
179.03671	0.5
181.05061	0.8
183.63472	0.5
187.03886	0.5
191.05605	1.4
195.02890	0.6
199.79025	0.5
205.03281	0.7
209.04639	0.8
256.11682	0.6
296.05405	2.0
297.06128	14.4
298.06473	1.2
311.07693	27.9
312.08112	2.2
325.09290	0.8
367.84985	0.5
389.10699	3.8
436.84445	0.6
443.09744	0.7
475.12439	98.2
476.12747	11.5
551.15948	8.3
637.17157	0.7
645.74072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
64.15213	0.7
71.54583	0.9
78.95919	2.4
133.16052	0.8
134.07094	0.7
152.99628	1.3
160.10474	0.9
210.29674	0.8
250.59528	0.9
636.36194	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	636.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52704	0.7
54.70094	0.6
55.26122	0.7
61.33522	0.6
61.98832	100.0
63.92218	0.7
70.54762	2.1
78.95908	2.6
82.92086	0.7
99.08823	0.8
152.99683	1.2
255.23451	1.1
256.23810	0.8
353.73175	0.8
529.40814	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95304	0.5
59.01367	1.9
60.33692	0.5
61.98812	0.9
65.04780	0.4
67.01891	0.9
71.01370	2.0
71.54831	0.7
73.02963	0.8
81.03417	0.6
83.05016	0.9
85.02954	2.0
87.00859	1.1
89.02442	1.8
93.03456	15.7
96.95982	0.6
99.00863	0.8
109.02944	0.6
111.04522	2.4
119.05024	47.8
120.05372	1.8
127.04012	0.9
131.03500	0.8
135.04532	2.0
137.02443	20.4
138.02809	1.7
149.04518	4.4
155.03502	3.2
163.04002	100.0
164.04372	4.0
167.03522	0.8
168.96225	0.5
173.04532	8.1
173.06032	0.6
177.01956	0.6
179.03471	1.7
180.19209	0.5
191.05597	29.0
192.05931	1.0
195.06636	0.6
197.04420	0.5
265.03409	0.9
295.04590	0.5
299.07770	3.9
311.07724	1.4
331.05768	0.6
337.09265	38.6
338.09647	3.0
355.06921	0.7
431.11884	0.5
475.10754	0.7
637.14325	2.9
637.67938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.4
65.88403	0.2
71.11432	0.3
71.11767	0.2
73.02946	1.7
78.95888	0.2
80.23003	0.2
99.92590	7.2
114.93415	0.2
116.92863	100.0
116.97251	2.1
117.01942	3.5
117.92872	3.8
178.28918	0.2
412.74792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57290	0.4
57.03445	0.5
58.02975	22.1
59.01379	1.4
69.40644	2.6
70.02977	3.3
71.01388	0.6
72.00890	2.1
74.73175	0.4
79.62460	0.4
80.17295	0.4
85.02955	1.0
91.05531	2.4
119.05027	0.5
123.04546	0.5
129.01938	0.5
145.02956	1.0
147.04524	14.8
149.02490	0.6
159.46661	0.4
164.07166	53.2
165.07468	1.8
206.08221	100.0
207.08571	4.5
235.30280	0.4
245.45461	0.4
250.07236	1.6
275.99326	0.4
403.53912	0.4
637.18182	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65415	0.6
55.01870	0.8
58.00585	1.0
59.01380	22.2
61.98829	23.1
65.08454	0.5
68.66273	0.5
69.94423	0.7
69.94759	2.6
71.01383	15.7
72.99310	1.6
73.02949	3.3
78.95879	1.4
80.01102	0.6
81.03479	0.6
83.01380	1.0
85.02957	5.1
87.00864	2.7
89.02440	9.3
95.01389	1.7
98.20580	0.6
101.02438	10.4
102.53871	0.5
112.54128	0.5
113.02448	6.5
119.03478	2.5
152.99586	0.9
183.13867	1.1
195.13904	13.4
213.14967	7.6
214.75351	0.6
222.62643	0.6
236.81645	0.5
255.23419	0.7
273.22330	1.0
277.21735	19.4
278.22064	1.3
291.23245	2.5
357.15103	0.9
357.19196	11.2
375.20218	21.5
376.20438	1.4
411.00552	0.6
419.18835	0.7
424.29880	0.7
431.14453	0.7
431.19553	0.8
433.20837	0.8
445.16321	0.9
458.17526	1.1
473.19662	0.7
474.16461	2.8
475.17557	1.0
488.18741	1.5
489.18863	1.4
490.20032	2.2
505.22543	1.1
549.21271	1.5
568.97247	0.6
572.38855	1.3
575.22791	4.1
576.24249	2.7
577.24042	0.9
635.25623	32.3
635.41638	100.0
636.25916	7.2
636.41925	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	635.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.6
61.98837	1.0
69.67439	1.4
74.39478	0.2
78.95900	1.5
84.97563	0.2
97.64780	0.2
123.58397	0.2
152.99564	0.5
195.07079	0.2
209.88829	0.2
225.11465	0.2
255.23334	0.8
261.22144	0.4
279.23273	100.0
280.23608	7.3
280.26709	0.3
391.22519	0.3
617.34827	0.3
631.80127	0.2
635.35815	0.6
655.30750	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
57.03446	11.8
59.01379	16.2
60.99306	0.5
61.98824	3.2
68.99808	0.5
71.01384	6.5
71.54348	0.6
72.99305	0.7
73.02945	4.5
75.00873	0.9
83.01387	4.9
84.02172	1.9
84.95100	0.6
85.02951	100.0
86.03290	1.4
87.00871	1.5
88.98798	3.9
89.02444	1.9
93.03459	0.8
96.96010	4.7
98.95606	1.3
101.02446	5.5
103.00359	0.8
109.02950	0.5
111.00883	11.3
113.02433	1.6
116.92905	0.7
117.03439	0.8
119.03542	0.8
119.05059	1.1
121.02979	1.0
123.00858	0.5
125.02441	0.6
129.01947	30.1
131.03506	0.7
133.03021	0.5
134.03740	7.6
135.04495	0.8
136.01674	5.8
137.02390	1.7
143.03517	0.9
147.02991	15.9
149.02524	0.7
149.04538	2.0
149.06030	1.2
151.00386	1.4
151.04007	7.4
160.01639	3.3
161.02533	0.9
161.04552	1.5
166.02716	2.4
173.00906	12.2
173.04535	0.7
173.05959	0.6
175.03998	4.7
177.01950	0.7
178.02760	1.1
179.03587	0.5
179.98833	0.6
181.05074	3.8
191.01974	43.4
191.05534	3.4
191.98915	1.4
192.02361	1.3
192.99619	2.4
193.05055	6.9
194.00229	0.6
194.05423	0.5
207.06671	0.6
209.03012	4.2
223.13400	6.6
232.99097	0.8
261.07626	1.3
267.12372	3.6
289.07080	0.5
323.07639	3.9
339.12155	1.3
357.09619	1.0
357.13449	0.9
367.06860	4.0
369.13385	0.8
371.06018	0.5
372.11978	0.8
374.16437	0.5
385.07809	2.7
387.09369	1.3
387.14426	13.2
388.14789	1.0
397.15048	1.0
401.10675	1.0
411.13974	0.6
428.09369	0.8
441.14111	4.1
458.30936	0.5
459.15082	20.0
460.15387	1.7
472.08264	3.3
549.14282	2.0
591.30603	0.8
599.09137	0.5
599.52649	0.7
635.14703	2.7
635.25226	1.6
636.36487	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
57.03448	10.5
59.01378	88.5
60.01714	0.9
61.98840	1.6
71.01382	22.9
71.55019	1.4
72.99289	1.2
73.02955	12.5
83.01379	7.5
84.02170	2.7
84.95121	1.5
85.02950	100.0
86.03281	1.6
87.00872	4.5
89.02456	8.4
92.04820	1.0
95.01365	1.1
96.96014	1.9
99.00886	1.2
101.02438	13.8
108.45567	0.9
108.76575	0.9
111.00871	10.3
113.02449	14.4
119.01371	3.0
119.03508	3.2
121.02927	3.2
125.02457	2.0
129.01942	20.3
131.03525	1.7
134.03758	9.7
135.04463	1.1
137.02455	6.3
143.03491	1.3
143.04953	1.1
147.03000	13.9
149.02428	1.9
149.06097	1.4
153.02000	1.1
160.01633	2.4
161.04599	6.1
161.05823	1.7
162.03052	1.0
171.10291	1.0
173.00900	8.8
175.04002	2.2
178.02690	1.7
187.11226	1.0
191.01979	21.0
191.05617	2.6
191.07159	1.1
191.95683	0.9
193.05070	8.4
209.03006	1.7
223.13332	3.6
261.07617	3.0
267.12384	6.2
274.90842	1.0
323.07684	1.6
357.09705	4.1
367.06570	5.6
371.10867	1.3
371.15057	2.7
385.07858	1.0
387.10077	1.8
387.14450	14.1
388.14728	1.8
397.15051	2.6
441.14148	6.3
442.14584	1.4
459.15036	21.4
460.15460	1.4
474.12119	1.3
524.80261	1.1
531.18903	5.7
549.19543	5.9
635.30261	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	635.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30752	0.7
54.35971	0.7
55.01877	2.0
57.03451	14.1
59.01381	27.7
61.98830	10.1
71.01388	14.0
71.55889	1.1
72.99316	1.9
73.02954	8.5
75.00874	1.3
83.01385	7.0
84.02158	1.8
85.02953	100.0
86.03301	2.0
87.00874	4.1
87.01327	0.6
89.02458	3.4
92.53268	0.6
93.03461	2.7
96.96018	3.4
98.02408	0.9
99.00893	0.7
101.02444	11.8
106.86044	0.7
108.02174	1.6
109.02945	1.7
111.00883	9.1
113.02448	6.6
116.92871	1.0
117.03476	1.6
119.03495	1.3
119.05035	2.3
121.02895	0.8
123.00891	2.1
123.04520	2.3
124.01724	1.1
125.02448	2.4
129.01944	31.3
130.02274	0.9
131.03531	1.0
134.03743	12.0
135.04555	3.6
135.16728	0.8
136.01663	12.3
137.02484	5.3
138.03189	1.3
145.02986	1.1
147.03006	14.7
148.03296	0.8
149.02414	1.5
149.04518	1.2
149.06078	1.7
150.03249	3.8
151.04016	18.0
152.01154	3.3
153.05592	1.4
159.04506	1.5
160.01711	1.3
161.02452	1.1
161.04610	4.3
161.05827	0.9
163.04010	4.4
166.02760	1.6
167.03481	3.0
173.00919	12.2
173.04594	2.5
174.03235	1.8
175.03958	4.9
177.01901	1.3
178.02731	3.7
179.03470	2.5
179.05614	1.1
182.02226	2.7
187.11261	0.9
191.01981	21.4
191.03459	0.9
191.05571	5.1
192.05956	2.2
193.05011	13.1
197.04567	5.6
198.04863	2.0
205.05026	1.2
206.05875	1.3
209.02965	1.8
217.05299	1.0
221.06613	1.1
223.06136	1.0
223.13333	3.0
231.97646	0.9
261.07407	0.9
267.12448	2.7
308.06866	2.6
311.07809	1.3
323.08847	3.8
353.10400	3.8
357.13583	0.8
367.06577	7.0
371.11209	1.6
372.12073	15.2
373.12369	1.4
387.14517	14.2
388.14908	1.4
397.15082	1.8
406.55246	0.8
441.13824	1.9
459.15100	11.8
549.19818	0.9
591.26593	2.3
635.20575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68958	0.4
55.01874	2.6
57.03447	14.4
59.01379	16.3
61.98829	1.5
69.71110	0.4
69.73556	1.5
69.73969	1.1
71.01379	5.2
72.16991	0.5
72.99310	1.1
73.02936	2.4
74.02476	1.3
75.00874	0.8
83.01379	5.3
83.05036	0.6
84.02161	1.5
85.02948	100.0
86.03290	1.7
87.00869	2.0
88.98790	0.9
89.02470	1.0
89.03931	0.5
96.96000	1.0
99.00885	0.6
101.02448	2.4
103.00365	0.8
103.03995	0.5
104.03537	0.6
107.05031	0.4
111.00879	10.4
113.02434	0.8
115.00372	1.4
116.03541	0.5
116.92790	0.6
117.03477	0.9
119.03547	0.6
125.02473	0.6
129.01939	38.3
132.02240	0.6
133.01439	0.5
134.03754	9.8
135.04543	0.6
136.01633	0.5
137.02444	1.0
144.74071	0.4
145.01392	0.9
147.02983	13.5
149.06079	2.0
154.99915	0.7
160.01665	4.0
161.02475	0.5
161.09779	0.8
161.13240	0.7
173.00900	16.5
173.02393	0.9
174.01169	0.6
175.04012	4.8
178.02711	1.5
187.11244	1.0
191.01970	21.4
191.05618	2.1
192.02332	0.9
193.05052	9.5
194.54593	0.5
209.03026	2.6
222.93327	0.5
223.13380	8.2
249.11354	0.5
261.07474	2.1
267.12335	9.0
268.12772	0.6
285.04068	0.4
323.07712	4.0
367.06610	4.6
385.07779	0.8
397.15088	1.9
429.21219	2.3
441.14023	12.2
442.14478	1.2
459.15057	33.5
460.15536	2.7
466.97870	0.5
473.24203	0.9
591.26868	0.7
635.19086	3.2
635.29315	0.7
636.26837	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.5
58.39249	1.2
59.01381	27.5
61.98840	9.8
67.01933	1.2
69.37174	10.2
71.01384	18.5
72.99315	1.5
73.02947	19.5
83.01397	5.7
85.02955	30.8
87.00854	1.8
89.02423	2.8
93.03452	1.6
96.96024	2.4
97.02917	1.8
99.65570	1.2
101.02450	11.1
102.83458	1.3
107.01377	2.0
108.02159	2.3
109.02948	1.1
110.44174	1.3
111.00890	4.3
113.02420	2.9
116.92805	1.2
123.00863	4.9
123.04518	2.0
124.01666	11.2
125.02477	6.7
128.18768	1.4
129.01950	6.9
130.08713	1.6
134.03734	3.3
134.25262	1.2
135.04515	1.3
136.01714	1.8
137.02437	4.5
139.04005	5.4
142.65001	1.0
147.03044	2.5
147.04495	1.7
149.02420	1.4
151.00362	4.1
152.01160	4.7
159.04532	2.2
160.05193	1.3
161.02412	3.2
161.04579	3.7
161.06033	1.3
164.04782	1.8
165.01979	1.4
166.46455	1.2
167.03526	1.8
173.00912	3.5
175.04013	6.5
176.04782	4.2
177.01903	2.0
179.03484	2.9
187.04115	1.4
188.49321	1.2
189.01892	2.8
190.02621	2.7
191.01953	5.3
191.03491	4.1
191.05542	1.9
193.05038	1.9
199.42630	1.1
199.68877	1.1
203.03510	4.6
204.04277	21.4
205.05011	4.6
219.02997	1.4
219.06610	19.2
223.06129	2.9
240.68961	1.2
267.12558	2.0
278.96713	1.5
286.01086	1.4
298.05493	1.3
303.08691	2.4
304.09070	4.4
305.09216	2.5
329.03418	1.3
344.05316	2.1
354.07358	5.1
355.08011	2.6
369.09769	22.6
370.09875	3.0
429.18350	1.3
441.14044	3.0
459.14969	5.3
506.10440	1.8
549.16064	1.7
576.15076	7.4
585.48474	1.5
591.17163	100.0
592.17603	11.9
635.21307	1.9
636.24298	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.0
57.93028	0.5
58.00568	0.5
59.01377	4.9
61.98830	3.0
63.23639	0.6
67.01885	0.8
69.03438	0.6
71.01388	2.6
71.55754	0.5
73.02937	0.9
77.52407	0.5
79.05539	0.5
81.03455	8.4
82.95319	0.5
83.01389	12.5
84.02171	0.7
84.95119	1.5
85.02952	13.3
87.00874	0.6
89.02449	1.1
93.03445	2.4
95.01383	1.1
95.05035	8.9
95.92423	0.5
97.02961	3.2
99.04516	2.1
101.02447	1.5
102.51186	0.5
105.03468	1.7
107.04996	1.1
107.35734	0.5
108.02164	1.0
109.02977	3.4
111.00879	1.6
111.04484	0.8
113.02442	0.9
114.80729	0.5
117.03455	0.6
119.05008	1.7
120.88835	0.6
121.02961	1.6
121.06585	0.9
122.03759	2.0
123.00916	0.7
123.04534	14.2
124.85481	0.5
125.02454	17.6
129.01961	3.7
133.02989	0.8
133.06575	0.8
134.03777	0.9
135.04552	3.1
136.01622	1.0
137.02457	9.1
137.06090	10.8
139.03999	3.8
139.11270	0.8
141.05585	1.3
145.02948	0.7
147.02998	1.2
147.04532	2.0
149.02457	6.6
149.06053	2.2
150.03098	0.6
151.02876	0.7
151.04013	6.7
152.01105	0.7
153.05580	0.5
155.03539	1.5
159.04471	1.5
161.02475	1.1
161.06053	0.8
163.00359	0.8
163.03976	2.0
164.04793	3.4
165.01917	1.3
165.05577	4.3
167.03500	44.6
168.03877	0.8
173.00960	1.3
175.03996	1.5
177.01927	1.6
177.05513	3.3
179.03505	12.9
179.05334	1.1
179.05606	1.1
180.03984	0.8
181.05040	2.2
189.05542	2.1
191.01924	1.6
191.03520	4.5
191.05484	1.2
191.07159	0.7
193.05032	11.5
197.04485	2.8
201.09534	0.6
201.11310	1.5
203.03525	1.8
203.07091	1.5
204.04073	0.6
205.05061	1.6
206.02116	1.0
209.04556	100.0
210.04858	3.9
221.04556	55.0
222.04880	2.2
223.06113	4.6
233.04556	33.0
234.04877	1.5
239.05617	34.8
240.05898	1.5
245.04594	6.5
245.06953	0.6
245.08267	1.3
251.03229	0.9
251.05608	10.3
252.05779	0.7
263.05511	0.8
289.07108	2.8
293.06693	14.3
305.06647	5.5
311.07828	3.8
323.07773	1.4
329.08765	34.8
330.09033	2.0
341.08752	55.9
342.09192	3.2
371.11264	4.3
385.11429	2.1
413.21957	1.4
515.11920	17.3
516.12366	1.7
545.12366	0.6
547.27728	0.7
634.27979	0.7
635.15051	11.0
635.24152	3.9
636.15820	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30678	0.5
55.01882	1.1
57.03450	3.1
58.00588	0.8
59.01381	36.8
61.98823	3.6
68.23724	0.6
69.03442	0.9
69.32945	4.8
71.01385	14.3
72.99306	1.0
73.02946	18.3
75.00878	0.7
83.01383	5.5
83.04997	0.6
84.02167	1.0
85.02457	1.2
85.02954	22.7
85.03471	1.3
86.03300	0.8
87.00872	0.9
89.02448	1.4
93.03468	0.8
95.01368	0.9
96.95989	1.0
97.02945	1.0
101.02448	12.0
107.01395	1.6
108.02156	1.2
108.35369	0.6
109.02948	0.9
110.00082	0.8
111.00884	3.1
113.02446	2.9
116.61215	0.5
119.04942	0.6
121.03001	1.2
122.03771	0.9
123.00858	2.7
124.01665	9.6
125.02462	3.5
129.01958	7.0
131.05096	0.6
134.03712	2.0
135.04482	0.7
136.01665	0.8
137.02434	2.4
139.04018	4.6
143.03438	0.7
147.03030	3.1
147.04453	0.6
148.05305	2.2
149.02432	1.3
151.00397	3.1
151.03960	2.1
152.01181	2.6
160.01683	0.7
160.05249	1.4
161.02451	4.3
161.04538	1.9
161.05870	0.7
163.04007	1.2
166.02716	0.6
167.03456	0.9
173.00926	2.7
175.03987	7.6
176.04773	5.1
177.01981	1.0
178.02644	1.0
179.03511	1.0
179.05620	1.4
187.03999	1.6
188.04767	0.7
189.01962	2.4
191.01959	4.3
191.03519	3.0
191.05190	0.5
193.05045	2.4
197.80666	0.5
203.03490	3.3
204.04285	24.1
205.04985	3.5
208.03719	1.4
219.02939	1.6
219.06616	22.8
220.07063	1.2
223.06102	1.5
223.13417	1.7
236.03326	1.3
261.07745	0.6
267.12411	1.3
316.09061	0.6
323.07788	0.7
341.06589	1.8
352.07605	0.6
354.07422	3.9
355.08072	1.9
356.12582	1.0
367.07013	1.0
369.05115	1.3
369.09790	27.4
370.10190	1.4
371.14975	2.5
373.09256	1.8
397.14816	0.9
429.17715	1.1
441.13885	2.3
442.86829	0.7
459.15045	3.9
549.16248	1.6
576.14911	6.4
577.14703	0.7
591.17181	100.0
592.17584	12.2
635.20667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22929	0.2
52.99960	0.2
56.18089	0.2
59.01369	0.3
61.98830	100.0
69.16553	1.8
69.16981	0.8
78.95924	0.9
89.02306	0.2
98.20637	0.6
108.43071	0.2
110.69188	0.3
114.91573	0.3
120.32252	0.2
134.62987	0.3
152.99608	0.7
157.58337	0.2
223.30235	0.3
252.11758	0.3
255.23326	0.6
296.94049	0.3
349.95828	0.3
422.79364	0.3
490.90619	0.2
635.35864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71789	0.2
59.01367	0.4
61.98828	100.0
69.16476	1.8
71.01366	1.2
76.71392	0.2
78.95913	0.5
151.73372	0.2
171.10234	0.9
173.97966	0.2
255.23244	1.4
256.23663	0.6
303.39639	0.2
305.65994	0.2
399.14429	0.5
424.77441	0.2
426.47894	0.2
635.36029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94213	0.2
61.98836	0.5
69.68660	0.2
71.54225	0.3
73.02950	1.1
78.97913	0.2
99.92587	7.1
99.93253	0.3
100.92590	0.3
114.93442	0.3
116.92863	100.0
116.97253	2.4
117.01931	3.0
117.92863	4.2
123.40449	0.2
167.56950	0.2
182.97380	0.2
192.63464	0.2
316.42068	0.2
334.54230	0.2
349.77103	0.2
421.73676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13532	0.3
61.98829	100.0
70.80709	0.5
70.81043	0.6
72.17773	0.3
73.68857	0.3
78.23055	0.3
78.95918	1.0
87.31876	0.3
90.27415	0.3
92.01852	0.3
110.54604	0.3
112.98642	0.3
155.74831	0.4
234.78056	0.3
255.23256	0.5
289.12808	0.3
290.66785	0.4
329.81732	0.4
484.52145	0.4
497.57413	0.4
507.42480	0.4
635.36017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62374	0.4
50.65308	0.5
55.01876	1.9
57.03446	14.0
59.01377	3.0
61.98846	3.3
65.00317	0.8
68.99812	0.7
71.01382	6.7
71.55518	0.6
72.04540	0.8
72.99318	2.5
73.02949	1.3
75.00866	2.9
83.01390	6.4
84.02164	2.0
85.02950	100.0
86.02478	0.7
86.03288	1.8
87.00877	1.6
89.02443	0.7
91.01888	4.0
91.93735	0.5
95.01409	0.5
96.96024	1.7
101.02436	1.5
107.82967	0.4
108.02150	2.7
109.02948	5.4
111.00879	14.2
113.02445	0.8
114.05599	1.8
119.05015	0.5
121.03011	0.6
123.00892	1.4
123.04525	15.4
124.01671	0.5
125.02430	0.9
129.01942	55.8
130.02232	0.9
130.08800	0.8
133.10220	1.5
134.03781	0.8
135.04538	0.7
137.02405	0.8
145.01442	0.6
145.02982	2.0
147.03014	6.8
149.02524	0.8
149.06038	0.7
151.00340	1.0
151.04018	1.0
152.01151	4.1
153.01933	7.9
154.03398	1.1
154.99837	0.7
156.10321	1.0
160.05252	1.0
161.04573	0.6
164.04813	0.7
165.01889	0.5
167.03494	35.9
168.03860	1.7
173.00909	20.7
175.07648	1.1
178.00974	3.2
179.03429	0.9
181.05028	0.6
191.01993	7.8
191.05679	1.4
192.04214	0.5
193.03363	3.8
193.05034	1.0
197.73074	0.4
203.05873	1.0
205.05070	1.0
223.06151	0.8
229.07446	1.9
235.06155	4.3
244.09821	3.6
255.03117	0.7
271.02664	0.8
278.08551	1.1
292.15552	7.8
297.06137	12.0
300.02777	1.9
301.03442	0.5
311.07681	5.1
341.05093	16.6
342.05466	1.2
359.06119	0.6
360.18149	1.9
422.18237	7.7
466.17148	4.5
484.18301	5.2
485.18924	0.6
515.72662	0.6
516.29956	0.6
542.16821	4.2
543.16998	0.7
547.11969	1.3
556.18414	1.2
590.16693	3.1
591.17346	0.8
607.94574	0.5
634.15247	8.3
635.16364	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	634.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10788	0.4
51.29959	0.4
55.01886	2.7
57.03453	13.9
59.01386	3.4
61.98840	2.7
65.00335	0.5
67.01884	1.0
68.99822	0.5
70.35742	0.4
71.01379	6.0
72.99303	1.8
73.02946	1.3
75.00889	3.0
78.95906	0.8
79.95766	0.5
83.01385	5.9
83.05048	0.5
84.02168	2.0
85.02954	100.0
86.03307	1.3
87.00891	1.3
89.02477	0.8
91.01902	3.1
93.03450	0.8
95.01367	0.7
96.96021	4.4
96.96939	1.1
97.88821	0.4
98.19843	1.0
99.00890	0.7
101.02443	1.6
103.00389	0.7
108.02190	1.9
109.02955	1.1
111.00890	13.7
114.05605	1.0
119.05059	0.6
123.00902	1.0
123.04533	11.6
124.01656	0.6
124.04882	0.5
125.02408	0.4
129.01952	54.3
130.02332	1.1
133.10197	3.3
135.04488	0.8
136.01656	1.3
137.02422	0.6
145.01503	0.6
147.03006	7.0
149.02434	1.2
151.03990	1.0
152.01143	3.4
156.10320	1.1
163.03912	0.5
165.01964	0.7
166.02774	0.8
167.03496	35.5
168.03842	0.7
173.00912	23.2
174.01247	0.5
175.04007	0.6
191.01988	7.6
191.05653	1.5
192.04234	0.6
193.03282	0.7
207.06581	0.6
209.04675	0.5
223.06099	1.2
224.06589	0.6
235.06111	3.8
290.17856	0.5
292.15576	11.3
292.18542	0.4
293.15561	0.5
297.06146	7.2
341.05118	19.8
342.05438	1.8
357.13470	0.9
360.18060	3.2
422.18219	6.3
423.18774	0.8
466.17249	6.7
484.18240	8.5
485.18320	0.8
634.21790	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	634.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	6.6
58.02964	6.4
59.01381	77.9
61.98829	27.5
67.01901	2.9
69.32619	17.5
71.01363	8.8
73.02947	4.4
73.87023	2.4
74.02470	18.4
75.00883	3.7
79.72553	2.2
82.02979	3.2
83.01403	4.6
85.02948	42.5
86.02451	8.4
87.00882	2.9
89.02459	3.7
93.03463	6.1
96.96002	8.5
99.05653	13.0
101.02428	3.9
108.02253	2.3
111.00897	6.2
111.05682	2.2
113.02454	3.3
114.05584	2.9
121.02946	5.9
122.11336	2.4
123.04527	6.2
123.05648	3.2
125.02420	6.5
125.69664	2.6
128.03549	52.3
129.01942	10.6
133.02953	6.9
134.03763	3.7
135.04579	3.4
135.05606	4.5
137.02454	6.3
143.03731	2.6
143.04619	66.4
146.04568	5.4
147.02957	5.5
149.02428	8.3
151.03949	3.0
160.00696	3.0
161.02350	5.2
163.03955	2.9
164.04800	5.5
166.09741	2.9
167.03447	5.3
167.04698	3.1
173.00912	3.9
173.04550	6.8
174.04732	2.3
177.01965	3.7
179.03279	2.9
179.04283	11.1
179.05652	11.0
182.01985	2.4
185.05597	2.5
191.01932	8.6
191.05623	17.9
193.04985	3.0
197.44153	2.2
205.05023	2.8
209.04556	5.6
210.08804	15.2
223.06125	12.9
231.01042	2.5
239.05547	2.7
242.02306	3.8
254.07813	36.3
269.00809	8.4
270.01675	52.7
271.02161	7.0
272.08881	100.0
273.09183	5.1
285.03864	7.2
285.99237	5.4
288.06693	2.3
289.07178	2.3
298.01038	2.6
301.01733	3.7
302.99698	60.9
303.99988	2.6
306.07678	18.8
313.03503	11.1
317.01157	3.5
318.02017	2.8
329.01151	2.8
330.99106	7.7
332.00043	3.1
341.09009	2.6
346.01474	39.4
347.02292	48.2
348.02567	3.5
356.12643	4.8
361.03867	50.7
371.11023	3.1
371.15057	9.9
385.11615	3.0
429.17642	8.2
546.93085	2.6
616.27386	2.5
634.13214	26.7
634.23193	2.8
634.28906	5.5
635.13599	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	633.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72976	0.3
59.01382	15.9
67.23309	0.2
68.25455	0.3
69.23050	0.3
71.01382	3.7
71.54557	0.5
73.02942	3.7
76.29533	0.3
77.43558	0.2
83.01368	0.5
85.02967	1.0
87.00893	1.6
89.02448	20.2
91.46104	0.3
99.00914	0.3
100.68812	0.3
101.02445	1.1
103.04015	1.5
107.05035	0.3
118.56232	0.3
119.05023	3.5
131.03510	5.9
133.02917	0.7
134.03740	1.3
135.04532	25.2
136.04817	0.6
147.02992	0.6
149.04558	100.0
150.04875	2.0
154.08521	0.3
161.02446	3.2
163.02745	0.6
163.04021	7.1
167.03528	0.4
179.03505	18.1
180.03868	0.9
235.11769	1.3
264.31229	0.3
277.12964	1.7
311.07733	34.6
312.08075	2.6
497.18637	0.3
590.83209	0.4
633.19684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73466	0.4
55.20911	0.5
57.03189	0.7
57.03447	6.2
59.01382	2.4
70.40775	1.5
71.01384	1.3
71.12801	0.4
73.02935	2.2
83.05024	4.2
85.02950	5.7
85.06583	2.0
97.06571	0.5
99.04526	1.1
99.08166	1.3
101.02465	0.7
111.04539	0.5
119.05016	1.6
123.08134	1.0
127.07658	0.6
135.04556	0.6
135.08160	0.8
137.09740	1.7
139.11288	1.3
149.09651	1.9
151.11295	2.1
155.10793	1.0
163.04036	0.9
163.11261	2.1
165.12840	1.0
167.14369	0.7
169.12337	5.8
177.12823	1.5
179.03502	0.8
181.05061	0.9
181.12363	0.6
184.22134	0.4
191.05608	1.4
195.13901	100.0
196.14278	5.2
209.15471	0.6
213.14941	0.5
231.80630	0.4
237.14967	1.0
255.16003	8.1
257.13968	0.6
271.49557	0.5
289.07248	0.6
299.14993	10.4
300.15326	0.5
307.08487	0.5
307.14005	4.5
341.34534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.2
68.57648	0.4
70.91881	0.8
71.01373	3.1
73.02945	3.4
85.02953	0.5
87.00883	1.6
89.02444	19.5
101.02402	0.6
103.04021	1.5
107.05040	0.7
125.98109	0.4
127.09280	0.4
131.03497	6.0
133.02942	0.9
134.03690	2.1
135.04529	23.6
136.04945	0.8
149.04555	100.0
150.04868	2.3
161.02426	3.4
163.04007	0.8
179.03497	19.5
180.03880	0.5
235.11830	0.9
277.12921	1.1
306.18216	0.5
311.07724	28.9
312.07968	1.9
348.13205	0.4
376.28055	0.4
383.29977	0.5
494.53561	0.5
513.08521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11950	0.5
59.01379	4.5
61.17135	0.6
61.56253	0.5
61.98825	1.4
65.41203	0.6
67.01878	0.7
69.03455	1.2
69.16412	1.4
69.16821	5.2
70.79070	0.6
71.01375	1.3
73.02960	0.8
83.01405	0.7
84.02173	6.7
85.02955	2.0
93.03449	2.1
101.02395	1.1
108.01472	0.9
108.02172	12.3
109.02979	4.0
113.02450	0.6
119.05011	0.7
121.02954	9.8
122.03767	0.9
123.04525	1.4
125.02451	0.9
126.96056	0.6
131.05040	1.0
133.02927	1.0
134.03609	0.8
135.04510	1.5
136.01657	6.6
137.02444	4.5
145.02968	0.8
147.04507	3.9
149.02441	2.9
149.06068	0.9
150.03215	1.9
151.03967	0.8
161.02385	1.5
161.06047	3.5
162.03214	1.0
162.06870	2.1
163.04010	2.4
163.07643	2.5
164.04784	1.9
164.49751	0.6
165.01892	2.8
173.04625	1.5
173.06017	1.2
175.03979	6.0
176.04692	1.9
177.05556	0.9
179.03616	0.8
182.02126	0.9
187.03897	0.9
189.05583	2.9
190.06328	6.5
191.01955	0.7
191.03484	3.0
191.05367	0.7
191.07123	2.7
193.05188	0.9
202.06329	0.9
204.04292	2.4
205.05081	1.5
205.08669	1.9
208.03781	0.7
216.04221	0.8
219.06631	4.7
220.07401	1.8
223.06108	1.9
235.09752	2.3
266.06522	0.6
281.08136	0.9
287.16360	0.7
299.12906	1.4
327.12393	2.0
351.28415	0.6
355.11786	1.6
356.12656	5.6
357.13266	1.8
385.12915	100.0
386.13168	10.2
409.11304	0.7
472.47644	0.7
576.21436	0.7
633.28021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24364	0.7
59.01381	14.9
71.01379	3.8
73.02959	4.2
81.03455	5.3
83.01394	7.0
85.02963	1.0
87.00874	1.5
89.02453	19.1
89.65487	0.7
93.03455	1.0
93.66375	0.7
101.02466	2.1
103.04012	2.1
105.03455	4.1
107.01448	0.8
109.02953	1.6
112.60906	0.7
117.10193	0.7
121.02949	1.4
122.03786	0.9
122.39151	0.7
123.04480	1.1
125.02450	3.2
131.03516	6.1
133.02945	1.1
134.03751	1.5
135.04530	26.7
138.15483	0.7
146.03777	1.0
147.04520	3.3
149.02449	6.6
149.04561	100.0
150.04927	2.1
152.98837	0.8
159.04503	0.8
161.02483	3.9
161.04517	1.1
161.06055	1.7
163.03990	1.5
165.05605	1.4
167.03532	0.8
173.02441	1.0
177.05652	1.2
179.03503	19.9
181.08711	13.9
187.03984	0.7
189.05594	3.9
191.03503	5.3
199.55704	0.7
203.03423	1.1
204.04375	1.7
205.05103	2.8
212.99950	0.7
216.89375	0.8
233.04550	85.5
234.04922	3.8
235.11903	2.3
259.06052	0.8
277.12933	1.4
289.07208	3.3
311.07739	70.3
312.08142	3.6
343.13959	3.0
362.55508	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.0
59.01380	2.7
60.99316	0.8
61.98832	3.3
65.15299	0.4
66.83872	0.4
67.01888	4.3
69.03446	1.0
69.73792	2.2
71.01383	3.2
71.25845	0.4
72.04557	1.4
73.02941	0.7
81.03469	1.5
83.01442	0.5
83.05017	1.3
84.04581	0.5
85.02953	13.1
87.00891	4.9
88.01211	0.4
89.02455	0.5
93.03465	27.8
94.03817	0.7
96.96019	3.8
98.02494	0.7
98.06114	2.0
98.19946	0.9
99.04517	0.6
101.02434	0.7
105.03474	1.6
109.02966	2.2
111.04527	5.3
113.02454	0.7
114.05593	3.4
123.04621	0.5
125.02428	0.8
127.04046	2.0
129.01938	1.2
130.08740	1.3
132.64180	0.4
133.02968	8.5
135.04495	2.7
137.02475	2.5
151.02837	0.5
151.03993	0.7
153.01907	0.6
155.03531	2.6
156.10315	12.0
159.04514	1.3
159.08153	0.9
163.03902	0.5
167.03392	0.6
171.03009	0.7
173.04562	30.6
174.04930	0.9
177.01923	5.9
178.02794	1.2
179.03539	0.8
185.02483	1.4
191.05624	100.0
192.05957	3.2
215.05591	1.7
253.15991	2.5
290.13928	0.8
307.08438	0.4
325.10638	0.6
331.27011	0.5
342.24139	0.7
351.07178	10.6
352.07758	1.0
352.22690	2.3
368.22125	2.6
369.09106	0.5
370.09940	0.6
380.13196	0.4
386.23227	0.8
396.21857	3.1
414.22943	4.4
422.19766	5.2
440.20776	10.3
441.20667	0.7
458.21884	5.3
459.22150	0.7
470.19983	2.7
526.69635	0.4
529.67847	0.4
560.28735	0.7
614.26062	10.7
615.25983	2.2
632.27075	27.8
633.27649	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	633.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96556	0.2
57.03429	0.3
57.19984	0.3
59.01381	100.0
60.01718	0.9
61.70805	0.2
61.98829	0.8
69.03442	0.3
69.49173	0.3
71.01402	0.5
71.55486	0.4
76.40873	0.2
80.91659	0.4
81.03490	0.5
84.02168	4.8
85.02966	1.1
89.02448	0.3
91.01875	0.4
93.03462	1.2
95.01443	0.4
96.96016	0.9
97.02974	0.5
105.03480	0.3
107.05058	0.4
108.02177	6.7
109.02980	1.6
111.04495	0.4
113.02436	0.3
119.05009	0.9
121.02956	5.2
121.03756	0.4
122.03751	0.4
123.04565	0.3
124.64875	0.3
125.02492	0.4
129.01958	0.6
131.05029	0.4
133.02953	0.6
133.06631	0.9
134.03706	0.6
135.04530	0.7
136.01654	3.9
137.02446	2.0
141.25648	0.3
141.89511	0.3
143.05078	0.6
145.02881	0.7
147.04585	1.6
148.05289	0.4
149.02495	0.5
149.06055	0.5
150.03230	0.8
151.04033	0.4
158.03752	0.4
159.04478	1.4
160.05339	0.4
161.02443	0.3
161.06099	3.0
162.03227	0.6
162.06816	0.5
163.03963	1.6
163.07637	1.3
165.01924	1.9
171.04503	0.6
172.05325	0.5
173.04552	0.3
173.06052	0.6
175.03964	1.8
176.04799	0.6
177.05429	0.4
178.02710	0.7
182.02202	0.4
189.05566	3.0
190.06381	1.7
191.02000	0.4
191.03503	1.6
191.05614	0.5
191.07112	2.2
193.05067	0.7
201.05566	0.8
204.04301	1.7
219.06609	5.6
253.08598	0.4
279.06708	0.3
282.08972	0.4
283.09741	1.0
311.09341	2.2
315.36554	0.3
321.07611	0.4
323.09113	0.6
339.08865	1.8
340.09470	4.6
341.10068	1.0
369.09781	95.5
370.10126	8.3
470.01965	0.3
489.25354	0.4
634.72650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.7
60.27030	0.3
61.98813	1.0
69.35657	0.3
71.54616	0.4
71.55047	0.3
82.35876	0.3
103.19927	0.3
152.37985	0.3
187.40938	0.3
202.09132	0.3
259.20465	0.4
277.21716	100.0
278.22067	7.5
533.88751	0.3
536.09772	0.3
591.65546	0.3
601.65723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	0.5
71.53938	0.5
73.02939	1.6
76.88853	0.3
99.92581	10.9
100.92649	0.4
114.05618	0.4
116.92860	100.0
116.97234	1.0
117.01956	3.1
117.92873	3.7
152.99739	0.3
165.48083	0.3
181.24445	0.3
192.54549	0.3
407.78348	0.4
637.22137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02671	0.2
61.98833	0.4
62.63681	0.2
70.39446	0.4
70.39807	0.3
73.02943	1.8
75.00864	0.5
78.16422	0.2
82.76228	0.2
99.00893	0.4
99.92582	12.1
100.92604	0.7
110.27972	0.2
114.05585	0.4
114.93378	0.4
116.07172	0.2
116.92859	100.0
116.97192	0.9
117.01938	3.9
117.05574	0.3
117.92869	4.3
142.41115	0.2
155.56168	0.2
178.01172	0.2
192.33090	0.2
257.08011	0.2
452.14517	0.2
526.60815	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59811	0.1
57.03450	0.2
58.25607	0.1
58.86815	0.2
59.01370	0.4
61.98817	0.6
63.02435	0.2
65.00333	0.3
65.03973	0.2
67.01880	0.6
67.41737	0.2
67.92022	0.2
68.99810	0.8
69.03445	0.3
71.01378	0.5
71.30832	0.2
77.01968	0.1
77.03980	0.4
79.01876	0.3
81.03445	0.5
82.65302	0.2
83.01381	0.2
83.05040	0.2
85.02968	0.2
89.02424	0.2
89.03965	1.2
95.01421	0.8
95.05014	0.5
96.96014	0.4
97.02932	0.2
97.06584	0.2
99.00903	0.3
100.09419	0.1
105.03451	1.2
105.07088	0.2
107.01387	0.4
107.05039	2.1
108.02187	1.7
109.02959	3.2
109.06610	0.2
110.00097	0.5
111.00881	1.3
115.05524	0.6
117.07107	0.3
119.05043	0.9
121.02951	2.7
121.06636	0.2
122.03744	0.8
123.00885	3.0
123.04525	1.4
124.01669	2.2
125.02468	1.0
131.05019	1.9
133.02939	4.1
133.03902	0.3
133.06618	1.5
134.03616	0.4
135.00897	0.4
135.04541	2.2
136.01666	2.0
137.02448	6.6
137.06071	0.5
138.03244	2.7
143.05026	0.5
145.02959	0.5
146.03758	1.0
147.04530	0.9
148.01666	0.5
149.02438	5.2
149.06035	1.1
150.03224	1.5
151.00371	0.8
151.03998	3.0
152.01160	4.0
153.01843	0.5
154.02710	0.2
158.03780	0.4
159.04506	3.7
160.05118	0.2
161.02460	1.6
161.06078	1.5
162.03200	0.6
163.04007	2.8
164.01143	0.8
165.01929	1.5
166.02663	0.5
173.02368	0.5
173.06035	0.3
174.03180	0.5
175.03987	1.9
176.04700	0.5
177.01929	8.6
177.05536	4.5
178.02686	3.3
179.03517	2.2
179.06999	0.2
180.04240	0.3
183.04465	0.2
186.03163	0.2
187.04004	4.5
188.04681	0.7
189.01953	0.6
189.05542	0.4
190.02702	1.4
191.03459	1.2
191.05069	0.2
191.07140	0.2
192.08000	0.3
193.01462	0.2
193.08713	0.2
194.02071	0.2
197.06033	0.2
201.05667	0.4
202.02753	1.2
203.03537	1.9
204.04179	0.7
205.05045	5.8
206.05768	0.9
207.04686	0.2
211.13327	0.2
213.05566	0.3
223.09720	0.6
225.05563	0.2
229.08359	0.2
234.99495	0.2
237.05391	0.2
241.04987	0.3
251.03481	0.3
252.08061	0.2
265.04950	0.2
269.04593	1.4
270.05176	0.5
273.11218	0.5
279.06555	0.3
281.07959	0.2
282.08859	0.3
285.07742	0.2
293.04623	0.2
295.06131	0.2
297.07599	0.3
299.09860	0.2
299.12927	0.7
301.10684	0.5
308.06961	0.3
313.07004	0.7
325.10672	0.3
326.08179	0.3
327.08685	1.0
327.12390	0.7
329.10281	1.3
341.06674	1.3
341.10059	1.1
342.10995	0.4
343.11813	2.7
344.12402	0.3
352.09775	0.2
353.10190	0.7
354.11002	0.5
355.08072	1.5
355.11676	0.3
356.08902	1.2
357.09515	0.3
357.13437	0.7
367.11679	0.3
369.09814	0.4
370.10480	0.8
371.11325	100.0
372.11938	21.2
373.12643	1.6
384.12027	0.7
385.12915	6.8
386.13181	0.5
410.73517	0.2
413.12408	5.7
414.12753	0.7
425.15936	0.3
432.10638	0.2
441.18930	0.4
468.17612	0.2
469.18631	5.4
470.19199	0.5
533.16431	1.6
534.17468	4.4
535.17719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60356	1.1
57.03418	2.0
59.01117	1.3
59.01380	18.7
61.98547	1.4
61.98832	17.5
65.00301	1.5
67.01859	2.9
71.01383	15.3
71.06228	1.3
71.55367	1.2
71.55815	2.0
72.01691	1.8
72.99299	2.1
73.02921	3.7
74.07691	1.1
83.01373	2.7
83.04985	1.5
83.93555	1.2
85.02950	14.4
87.00848	4.7
89.02437	13.1
90.02744	1.7
91.18134	1.1
93.02960	1.7
93.03455	19.7
96.95979	4.0
99.77367	1.2
101.02443	12.0
102.02734	1.6
106.06564	1.3
107.01344	3.0
108.02120	2.5
109.02959	3.0
109.81868	1.2
111.00867	1.6
111.04483	1.8
113.02467	6.5
119.03522	6.5
119.04997	1.6
120.03747	1.3
120.05781	1.4
121.02893	1.1
123.04522	2.2
123.97488	1.3
125.02414	2.1
129.01884	1.7
131.03477	1.6
133.02902	2.7
134.03650	1.7
135.00897	1.7
135.08130	1.5
137.02394	4.8
143.03432	2.1
147.04474	1.2
148.01567	1.3
149.04503	1.5
151.00374	8.7
151.04005	1.9
154.41852	1.2
160.01559	3.4
161.04517	2.5
163.00323	1.8
163.03920	2.0
163.07550	1.9
163.08781	26.8
164.09154	10.5
165.05589	1.2
165.34494	1.3
173.04529	12.1
175.03902	4.1
177.01863	3.3
178.99779	3.7
179.05548	2.2
191.01865	1.6
191.05608	37.2
192.05870	2.3
193.05016	2.8
223.06044	1.5
226.02592	2.8
227.03392	3.0
243.00804	1.3
243.02982	14.4
254.02077	3.7
255.02969	26.0
256.03189	1.6
271.02472	73.7
272.02786	7.6
283.02438	1.3
300.02740	100.0
301.00201	1.7
301.03421	28.6
302.03729	2.9
305.04596	6.6
306.05112	2.7
306.13129	1.4
306.16052	12.0
307.16440	18.3
309.53674	1.5
320.06863	6.4
321.07288	2.5
349.16278	1.7
351.08710	16.7
352.08890	1.7
359.38364	1.4
366.13437	1.3
369.09424	1.7
411.38907	1.3
427.10190	2.3
440.20035	2.0
463.08737	2.1
468.20959	3.6
469.21918	12.1
543.15063	16.4
544.14948	2.3
614.25476	2.1
631.19800	96.3
632.19513	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	631.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
59.01379	2.6
60.99304	3.7
61.98819	1.7
65.03956	0.5
67.01889	12.6
69.03460	3.8
70.66660	1.1
71.01379	4.6
72.33786	0.4
73.02926	0.8
81.03457	3.1
83.05040	2.0
85.02955	1.9
87.00876	12.3
87.04523	1.2
90.23318	0.4
93.03457	84.6
94.03795	2.1
97.02953	0.5
99.00900	1.0
99.04514	1.1
105.03446	1.2
108.02199	0.5
109.02949	1.6
111.00896	0.8
111.04522	11.6
112.04879	0.4
113.02437	1.1
121.02929	0.7
123.04500	0.4
125.02415	0.6
127.04012	0.8
129.01941	1.0
132.02180	0.7
133.02954	8.3
134.03773	2.9
135.04529	7.8
137.02428	5.3
139.04016	0.8
143.03487	0.4
149.02481	0.7
151.04012	0.5
152.01173	0.4
153.01968	0.5
155.03496	5.1
159.04501	1.1
160.01595	0.6
161.02422	1.7
163.04002	0.7
165.01999	0.5
173.04539	100.0
174.04883	2.6
177.01945	3.2
177.05623	0.4
178.02701	4.1
179.03485	5.2
187.03975	0.6
191.05595	3.0
193.05037	1.6
195.52107	0.4
205.05109	0.9
310.08142	0.4
351.07278	0.9
367.10309	16.3
368.10532	1.0
369.09729	5.1
370.10333	0.5
371.11334	12.0
372.11996	2.1
385.12888	1.1
413.12378	0.5
469.18527	1.0
534.17316	0.8
543.15076	41.6
544.15460	6.1
631.38403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14578	0.4
57.03447	1.3
59.01389	2.7
60.99308	3.5
61.98828	5.1
65.03956	0.7
67.01889	10.0
69.03450	2.1
70.66900	0.9
70.67227	0.5
71.01377	4.7
73.02959	0.4
81.03455	2.2
83.05016	1.9
85.02947	7.6
87.00874	10.6
87.04503	1.0
87.66853	0.5
93.03459	73.1
94.03792	1.7
95.01377	0.5
96.96042	0.6
99.00888	1.5
99.04525	1.6
101.02457	0.4
105.03423	0.9
106.50182	0.4
109.02970	2.3
111.00887	1.1
111.04517	10.3
111.05236	0.8
113.02478	1.2
115.04047	0.5
116.92889	0.4
119.05033	0.6
119.57491	0.4
121.02940	0.9
123.04502	0.4
127.04018	1.4
129.01955	1.4
132.02162	6.1
133.02959	12.4
134.03769	4.6
135.04536	7.9
137.02449	7.1
139.04059	1.2
143.03502	1.8
155.03496	5.2
156.03789	0.4
159.04488	0.8
160.01659	12.1
161.02437	3.0
163.04073	0.9
164.77963	0.4
173.04541	100.0
174.04903	3.0
175.03992	0.6
176.04764	1.0
176.43024	0.4
177.01932	4.6
177.05589	0.5
178.02699	6.9
179.03476	5.9
185.02396	1.1
191.05609	46.9
192.06006	1.4
193.05031	4.4
205.05081	0.8
211.30081	0.4
215.05615	0.6
218.33670	0.4
232.16820	0.4
351.08704	6.3
355.07968	0.7
366.09531	0.4
367.10339	17.7
368.10571	1.2
369.09784	14.0
369.14270	0.9
370.10049	1.3
371.11328	5.5
372.12003	0.8
427.10529	0.5
456.15106	0.4
469.18652	1.4
485.42215	0.5
543.15051	40.9
544.15375	5.5
631.23895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31859	0.4
57.03442	0.5
59.01380	3.4
63.96783	0.4
65.00363	0.4
65.58707	0.4
71.01382	2.2
71.77771	0.3
72.56487	0.3
73.02941	1.0
81.03468	0.5
83.01385	0.7
85.02937	2.3
89.02451	0.8
93.03470	1.1
95.01385	1.9
96.95999	0.9
101.02438	1.2
108.02173	50.6
109.02975	15.7
110.03296	0.6
113.02472	1.0
121.02953	0.8
123.00894	1.2
123.04522	1.6
125.02461	0.8
125.79517	0.4
133.02882	0.5
135.04532	1.0
137.02454	0.7
149.02377	0.6
151.03993	1.0
152.01152	47.1
153.01944	20.2
154.02296	0.6
161.04610	0.6
163.04004	1.3
165.01938	1.9
167.03453	1.7
175.19862	0.3
177.01834	0.4
179.03526	0.6
181.04974	0.4
188.61456	0.4
191.05580	3.3
195.03003	0.9
195.13884	1.4
207.02640	0.4
237.09581	0.4
270.36172	0.4
279.10904	0.6
285.04025	0.5
301.05634	1.5
313.03381	0.5
315.07211	100.0
316.07565	5.8
323.13571	0.7
329.08951	0.6
343.04709	0.4
353.08609	0.6
415.34418	0.4
493.09906	1.1
583.55841	0.4
613.14496	0.8
631.15399	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	630.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06866	0.6
55.57620	0.7
56.99842	0.7
57.03426	1.3
59.01378	7.0
60.99313	0.8
61.98831	11.6
63.47629	0.6
67.01878	3.0
69.03454	1.4
71.01392	5.5
71.54630	0.8
73.02946	1.2
76.53490	0.7
81.03457	1.4
83.05031	1.2
85.02957	16.2
87.00876	5.6
87.18577	0.6
89.02438	1.7
93.03461	24.8
94.03780	0.8
96.96014	1.6
99.00812	1.1
99.04484	1.3
100.40009	0.7
101.02431	1.3
108.02206	0.8
109.02935	1.8
111.00902	1.3
111.04543	2.9
113.02467	1.1
119.05004	1.0
123.04535	0.8
123.08932	0.7
125.02458	1.7
127.04015	3.0
129.01913	1.8
133.02933	1.4
134.03749	1.8
135.04524	1.9
137.02444	10.9
145.06622	0.7
147.02979	0.9
149.04561	0.7
151.03951	0.9
152.01151	1.6
159.04562	3.5
161.04622	1.1
161.06024	1.2
163.03926	0.8
167.03488	1.6
171.03076	0.9
173.04552	13.1
173.06017	1.5
174.04774	1.0
175.03961	0.8
179.03461	2.0
179.53502	0.7
183.10208	1.3
185.06117	0.8
191.05608	100.0
192.05937	3.1
193.05035	1.7
201.11377	0.7
205.05061	1.5
223.07913	0.9
289.07114	1.4
300.02832	0.8
307.13553	2.4
412.21249	2.7
438.19211	17.2
439.19449	2.0
456.20251	11.1
509.18137	2.6
587.13287	0.7
630.25610	39.1
631.25757	5.5
631.97363	0.8
648.88910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
57.03430	1.4
58.00582	1.3
59.01378	32.0
61.41825	0.5
61.98829	4.4
68.99859	0.4
69.03468	0.8
71.01381	28.1
71.54348	0.6
72.99295	2.1
73.02941	2.9
77.87556	0.4
82.68155	0.4
83.01382	3.6
85.02947	8.2
87.00878	2.4
88.36656	0.4
89.02443	31.1
93.03452	1.9
95.01361	2.6
96.95969	0.9
97.02936	0.9
99.00867	1.6
101.02444	25.9
106.06638	6.7
107.01396	0.7
108.02184	0.5
109.02950	1.1
111.00893	0.6
113.02451	13.1
114.02773	0.5
119.03495	15.8
121.02955	0.8
123.04530	0.8
125.02435	1.5
125.71478	0.5
131.03539	2.3
132.04564	0.5
133.08279	0.5
135.04506	0.6
137.02429	1.1
142.06595	3.1
143.03502	5.3
149.04552	1.2
151.00356	1.7
161.04556	6.3
163.00426	0.8
163.08768	100.0
164.09126	2.3
167.03426	0.7
173.04555	2.4
175.03912	0.7
179.05618	8.1
183.10233	1.4
191.05573	2.5
220.63620	0.5
226.02737	0.7
243.02943	2.9
254.02081	0.6
255.02951	4.5
271.02454	12.6
279.32330	0.4
289.07343	0.8
290.07541	0.5
297.69019	0.5
300.02725	17.5
301.03577	4.7
304.11938	0.7
306.16101	68.7
307.16473	4.7
313.83923	0.5
376.16702	1.7
450.20209	1.3
468.21365	44.6
469.21817	4.2
630.26831	26.8
631.19568	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	630.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
58.33578	0.7
59.01384	5.7
59.53424	0.6
60.99305	4.0
61.98827	7.0
67.01559	1.2
67.01888	11.5
69.03446	3.4
71.01382	6.5
71.10111	0.9
73.02948	1.7
81.03459	2.8
83.01400	0.8
83.05037	2.0
83.06515	0.7
85.02948	3.1
87.00875	13.3
89.02443	1.0
93.03460	100.0
94.03798	1.3
95.05005	1.0
96.96013	2.1
99.00877	2.3
101.02422	1.4
105.03452	2.3
107.05048	0.9
109.02955	3.1
111.00904	1.3
111.04511	12.9
113.02460	1.9
115.04012	0.9
121.02930	1.5
122.03786	0.7
125.02406	1.1
127.03998	0.8
129.01936	2.3
133.02962	12.6
134.03778	4.6
135.04506	8.4
135.08199	1.0
137.02441	5.7
139.03984	1.3
149.02419	3.3
151.04051	1.1
155.03468	5.2
163.04106	1.0
164.04796	1.1
173.04543	64.4
174.04820	1.5
177.01904	4.8
178.02745	9.0
179.03484	6.9
191.05629	7.3
215.05594	4.3
223.06166	4.5
298.70523	0.7
307.08490	0.7
319.15503	2.5
351.07108	10.0
364.25055	1.4
371.11349	6.3
384.12112	0.8
412.12381	0.9
412.21368	1.1
456.20364	10.7
457.20715	1.0
469.18719	2.7
630.25543	94.2
631.26019	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	629.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33566	0.9
57.03448	22.9
59.01373	6.2
61.98824	3.2
71.01383	4.6
72.02174	1.8
81.07124	1.4
83.05024	18.4
85.02975	1.6
87.04513	57.2
88.04850	1.5
88.98790	1.5
89.02425	1.9
95.05016	2.4
96.96042	1.5
97.06590	13.5
98.03731	1.8
101.02460	1.4
113.02428	1.0
113.06071	6.6
121.06622	1.5
123.08211	1.7
135.08110	1.9
137.09721	13.5
139.07652	1.6
149.09714	1.6
151.11357	1.2
153.09224	8.5
165.12811	5.5
167.38872	1.0
173.04565	1.4
179.10771	1.3
191.05606	3.5
195.13898	25.4
196.14195	2.0
209.15468	1.5
219.13936	3.2
229.07303	1.2
237.14944	100.0
238.15265	5.7
239.12891	6.2
270.13049	1.0
276.85236	1.1
281.13928	33.1
282.14316	2.1
328.20535	1.0
529.19135	1.0
548.95178	1.0
593.15430	1.2
629.25488	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	629.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45501	0.8
57.03427	1.1
59.01378	22.2
61.98812	3.0
62.03397	0.8
69.18592	9.4
69.93462	0.8
71.01382	10.8
73.02947	15.8
79.05510	3.4
81.07079	1.9
83.01386	4.0
83.05016	1.7
85.02935	3.2
86.72604	0.8
87.00858	1.4
89.02442	9.2
93.03457	2.5
95.05012	1.8
96.95995	1.2
99.04513	4.7
101.02442	9.6
105.07085	1.3
107.05035	2.3
113.02446	2.7
119.03493	1.0
125.02454	1.0
131.03497	3.6
132.04492	1.3
147.11737	1.1
149.04546	18.0
155.03427	1.3
161.04593	1.5
161.09708	1.6
161.13364	24.5
162.13737	1.3
169.44037	1.1
173.04555	1.6
185.09776	1.0
185.13344	2.9
187.11234	9.9
191.05614	3.5
203.05579	1.3
205.12323	100.0
206.12703	4.4
229.12250	3.7
231.10231	6.0
247.13362	1.1
249.11305	49.5
250.11636	4.0
251.61082	1.1
259.13263	0.9
273.11252	2.4
291.12427	11.0
363.14645	1.1
381.15555	27.3
381.20496	1.1
382.15799	2.0
423.16388	1.5
449.14658	1.6
453.17548	5.3
543.20630	1.1
585.21808	44.8
586.22400	5.1
629.18085	1.1
629.28204	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16068	0.6
57.03441	1.8
59.01389	4.4
60.99305	5.1
61.98841	6.3
65.03967	0.8
67.01891	14.2
69.03456	5.0
70.67638	1.7
71.01376	5.6
73.02940	1.5
81.03449	4.0
83.05018	2.7
85.02951	13.5
87.00876	15.9
93.03459	100.0
94.03790	2.5
95.01444	0.7
95.05014	1.1
96.95998	0.9
97.03011	0.9
99.00880	1.7
99.04514	1.8
101.02482	1.5
105.03444	3.0
108.02154	1.6
109.02950	2.6
111.04529	17.4
113.02462	1.9
115.04032	0.8
117.44734	0.7
121.02936	2.0
123.04517	1.9
127.04010	2.7
129.01923	3.2
132.02187	9.7
133.02972	15.5
134.03748	6.0
135.04546	10.6
137.02458	6.2
139.04025	1.2
143.03488	2.8
149.02475	1.4
150.03178	0.9
151.04028	1.3
152.01146	2.0
155.03511	6.3
160.01669	23.7
161.02449	4.6
163.03998	0.8
167.03464	2.2
167.24457	0.6
169.32494	0.8
173.04549	91.2
174.04880	2.3
176.04750	1.0
177.01932	4.4
178.02736	10.2
179.03514	8.4
185.02428	2.1
191.05617	70.8
191.71475	0.8
192.05940	1.9
193.05066	4.4
215.05577	1.5
255.17705	0.8
271.02289	1.1
289.07053	0.9
328.05646	0.8
343.08160	1.0
351.08780	10.3
352.08810	1.0
367.10324	28.0
368.10599	1.7
369.09787	14.4
370.09973	1.5
456.20490	1.2
467.16876	1.2
476.35791	0.8
542.21466	0.8
543.15082	55.1
544.15533	6.6
577.77649	0.7
629.39307	4.2
630.25885	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	629.1876
Annotation	Eucalmaidin D
Peak:m/z	Relative Intensity
51.89465	0.7
57.03472	2.2
59.01383	7.7
61.98833	8.8
63.99307	0.9
65.00349	1.2
69.03468	1.2
69.21086	6.4
69.21484	1.0
71.01382	6.4
72.99333	1.3
73.02982	2.5
78.91887	9.0
83.01433	2.1
85.02959	7.1
87.00922	1.1
89.02448	5.3
92.03597	0.8
93.03499	3.0
96.96053	2.8
99.00875	4.0
101.02486	3.2
107.01426	2.0
108.02232	2.4
109.02993	1.7
111.00903	1.4
113.02514	2.8
119.03557	2.2
119.05042	1.1
121.02988	3.3
123.04522	0.9
125.02483	1.2
129.01993	2.1
133.03084	0.8
134.03795	0.9
135.01048	0.7
135.04597	1.7
137.02455	6.9
139.11333	1.2
143.03598	1.0
145.04143	0.7
148.01704	1.2
149.02475	4.5
150.03246	1.8
151.00381	7.6
151.04199	0.8
152.01160	1.6
153.09128	0.7
161.02487	0.9
161.04605	2.0
163.00400	2.4
163.04033	2.0
164.04799	3.8
165.05540	0.7
167.03529	2.2
173.00940	0.8
175.04039	1.0
177.01898	1.0
178.99866	3.9
179.03490	1.0
179.05707	2.3
179.07227	0.7
181.12370	2.6
183.10289	4.6
191.01997	0.8
191.05714	2.9
193.05022	0.8
199.13489	0.8
207.06705	1.2
209.04634	0.8
211.03967	0.9
215.03415	0.8
223.06126	5.8
225.11281	1.1
226.02805	4.0
227.03572	3.0
243.02969	12.4
243.12453	0.9
245.04527	0.9
254.02231	2.0
255.02986	23.6
256.03458	1.8
258.08002	2.7
259.08408	3.0
271.02487	66.8
272.02997	5.1
274.09763	1.0
287.10330	1.3
299.02020	1.4
300.02762	100.0
301.03427	27.0
302.03799	1.4
345.15921	0.9
358.10446	1.2
361.18759	2.6
405.17456	1.0
433.15045	0.9
463.08832	15.3
464.09149	1.4
516.17206	0.8
522.07892	0.9
628.21881	0.8
629.18695	95.5
630.18805	13.6
630.27289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60373	0.8
57.03438	2.2
59.01375	6.3
61.98830	8.0
65.00317	0.8
65.13151	0.7
67.01886	1.6
71.01376	3.4
71.55843	1.2
72.99313	1.1
73.02919	1.2
81.03465	2.4
83.01381	1.7
83.05022	1.9
84.43890	0.8
85.02953	8.9
87.00867	1.4
89.02451	1.3
93.03465	10.8
94.03802	1.2
95.01377	1.0
95.05029	1.8
96.96010	2.1
97.02945	0.9
99.04521	1.4
101.02454	1.9
105.03446	4.9
106.06601	1.0
108.02160	2.2
109.02971	2.2
111.00852	2.1
111.04530	4.6
114.05566	1.4
120.99716	1.0
121.02924	4.4
122.03740	0.9
123.00845	1.1
123.04527	4.2
124.01711	1.1
129.01929	3.5
130.08731	0.9
133.02963	41.1
134.03763	16.6
134.06079	1.1
135.04532	13.9
136.01651	1.4
137.02440	18.9
139.04045	4.1
145.02902	1.1
149.02481	1.4
150.03189	3.3
151.00392	1.5
151.03999	7.3
152.01134	2.5
153.01950	1.7
155.03502	5.7
159.04443	1.0
160.01617	1.2
161.02470	4.2
161.04633	1.0
161.06036	1.1
161.61868	0.9
165.01921	1.8
167.03479	8.0
173.03134	1.9
173.04547	24.6
173.06029	1.3
174.04924	1.2
175.03978	1.3
176.04811	3.3
177.01935	19.0
178.02725	29.5
179.03526	10.4
179.07123	1.4
182.02213	2.4
185.11765	1.6
191.05588	3.9
191.07138	2.3
193.05074	15.7
203.03464	1.2
225.05530	3.8
239.09222	1.5
243.06631	4.1
253.13501	0.8
258.08966	8.6
272.09067	0.9
273.11292	3.6
289.07266	2.2
301.03485	1.4
311.07712	2.6
333.17630	0.9
339.05054	1.0
351.07050	2.0
369.09787	100.0
370.10205	9.1
389.16058	1.8
391.10950	0.9
443.15387	2.1
467.17245	1.6
479.15317	1.5
543.14996	3.3
567.26410	0.9
629.18677	21.4
629.28705	1.5
630.26849	1.4
653.27692	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1873
Annotation	Eucalmaidin D
Peak:m/z	Relative Intensity
51.78275	0.3
57.03455	0.7
59.01373	2.2
61.98825	3.3
63.02402	0.7
63.35952	0.4
65.00321	0.9
69.03451	0.6
71.01382	1.5
71.24566	0.4
78.91880	1.1
80.91680	9.8
83.01386	1.4
85.02939	1.8
87.00879	0.4
88.98820	0.5
89.02491	0.5
91.01903	0.5
93.03447	1.1
96.96002	1.5
99.00858	0.8
101.02462	0.7
107.01373	2.1
108.02177	1.9
109.02972	0.9
121.02954	1.7
123.04453	0.4
125.02426	0.6
127.07594	0.5
129.01953	1.1
134.03763	0.4
135.00896	1.1
135.04520	0.6
137.02400	0.8
137.06029	0.4
139.11235	0.6
148.01672	1.2
149.02411	0.6
151.00365	8.9
152.24994	0.4
163.00322	2.0
164.01175	0.8
165.01964	0.5
167.03502	1.1
178.99879	4.5
179.03502	0.5
183.04427	0.4
183.10251	1.5
187.03986	0.4
190.99915	0.5
191.05539	0.9
193.05084	0.6
197.11827	0.7
198.03212	0.6
199.03964	0.8
203.03485	0.8
211.03940	0.8
215.03586	0.7
216.04198	0.8
220.46353	0.4
225.11345	1.4
226.02704	2.4
227.03487	3.8
243.02963	13.8
244.03426	1.1
245.04489	1.1
254.02199	3.0
255.02965	27.2
256.03339	1.8
259.42047	0.4
271.02457	68.8
272.02936	5.2
273.04141	0.7
274.18918	0.6
283.02322	0.7
299.01904	1.7
300.02728	100.0
301.03448	29.0
302.03751	1.5
317.17520	1.1
318.17978	1.5
343.04553	0.5
345.15634	0.6
357.40076	0.5
463.08771	10.0
464.09061	0.8
585.19916	0.6
629.18713	89.5
630.18884	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	627.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
59.01379	22.8
60.99302	7.5
61.98830	2.1
69.03458	4.6
69.18043	5.7
69.18463	2.8
71.01385	20.8
72.99300	0.9
73.02950	3.0
73.57848	0.9
77.24654	0.8
83.01398	1.9
85.02955	9.8
87.00874	32.4
87.04525	1.4
88.00424	1.2
88.98806	48.2
89.01929	1.6
89.02447	21.5
95.01376	2.4
97.02950	1.3
99.00872	2.5
99.25260	0.9
99.69102	0.8
101.02448	19.4
108.71943	0.9
111.00919	1.9
113.02438	10.9
119.03511	7.7
123.04581	1.3
124.01680	1.0
125.02431	3.5
129.01971	1.2
131.03481	2.5
131.14587	0.9
141.01872	1.6
143.03494	2.5
151.03929	1.0
155.10793	1.6
157.32228	0.9
161.04543	5.2
163.04050	1.5
165.05508	1.1
177.01935	2.0
179.05611	6.3
179.07085	1.4
191.05592	2.8
192.04381	1.0
195.06601	1.8
207.06616	1.8
219.36800	0.9
221.06544	1.9
243.15970	12.5
244.16344	1.1
301.02951	1.9
302.03271	1.1
303.04233	0.9
315.18069	7.8
321.08105	1.5
405.21399	6.0
438.21909	1.0
553.19159	3.9
567.26569	100.0
568.26910	10.4
627.14429	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	629.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
59.01387	2.1
60.99308	3.4
61.98821	1.2
65.03953	0.5
67.01887	11.9
69.03450	3.4
71.01376	5.1
71.08928	0.6
71.09280	0.4
72.99363	0.4
73.02928	0.5
81.03462	2.2
83.05027	1.9
83.81153	0.3
85.02956	2.2
87.00872	11.5
93.03455	80.5
94.03777	1.8
99.00883	1.5
99.04527	1.1
101.02460	0.5
105.03457	1.0
108.02199	0.5
109.02957	1.1
111.00895	0.9
111.04518	10.3
113.02447	1.4
121.02953	0.5
127.04023	0.6
129.01930	1.5
133.02956	9.3
134.03769	3.1
135.04529	6.0
137.02440	4.6
139.03986	1.0
143.03500	0.6
151.04021	0.4
155.03487	4.0
159.04486	0.6
161.02435	1.1
165.49854	0.3
173.04535	100.0
174.04907	2.9
177.01903	2.0
178.02722	4.3
179.03482	5.1
182.66615	0.3
191.05586	2.5
193.05025	1.5
215.05577	0.5
222.86967	0.3
255.61966	0.4
351.07227	0.5
367.05612	0.7
367.10287	13.9
368.10617	1.0
369.09760	6.5
370.10138	0.6
402.02798	0.4
543.15033	32.4
544.15338	3.9
614.01453	0.4
627.24701	0.4
629.27722	1.1
629.38196	0.4
651.53418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.9
60.30104	0.9
61.98803	1.8
65.00330	1.1
71.01366	2.4
71.54699	1.1
72.00896	2.4
74.02450	2.6
77.03941	2.7
77.14312	0.9
79.01877	1.3
87.00798	1.0
89.46938	0.9
93.03458	4.9
101.02428	1.2
104.03533	16.9
107.01331	1.1
117.03463	17.6
118.03793	1.4
119.05045	2.3
121.02914	3.8
125.09734	1.1
133.02896	1.4
135.04483	3.4
137.02428	1.2
147.04379	0.9
149.02376	2.6
155.64621	0.8
159.04454	2.6
161.02428	7.0
163.00331	1.2
163.04015	5.8
165.01801	1.3
171.10178	1.2
173.02403	1.4
173.04555	1.6
177.01859	2.1
183.04408	1.2
183.13826	2.9
191.03528	2.1
191.05501	3.6
193.01523	1.1
195.13879	2.2
201.78720	0.9
203.03413	1.5
209.11830	1.8
210.12071	1.0
211.13391	1.3
213.14941	2.7
215.07086	1.4
219.20879	1.0
221.13776	0.9
225.05453	1.2
237.05339	1.1
239.07089	1.5
243.83633	1.0
268.03690	3.4
269.04495	4.2
281.04568	8.1
282.05206	2.8
283.06097	63.2
284.06390	4.5
293.04590	5.8
295.06186	4.4
311.05591	100.0
312.05939	6.7
323.05630	10.0
331.08917	1.0
341.06583	10.1
342.06909	1.1
353.06631	1.7
377.06549	1.5
395.07480	1.1
413.08728	42.7
414.09158	4.7
431.09436	1.0
453.18210	1.1
522.25885	1.9
582.67755	1.1
626.78003	1.8
627.24304	85.3
628.24695	14.5
638.55469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	71.5
61.98830	4.3
65.76198	1.4
66.05734	1.3
66.29668	1.2
68.29645	1.3
69.26551	7.7
69.26974	3.9
71.01385	2.9
82.88271	1.5
85.02933	1.7
87.00880	3.5
88.92365	1.2
88.98801	4.6
89.02451	2.2
91.05586	1.4
95.89024	1.4
101.02477	2.1
110.09628	1.5
121.02938	3.0
122.03738	5.5
133.02943	4.7
135.04507	12.0
149.02426	26.0
150.03217	55.8
161.02417	8.8
164.04765	8.3
165.05563	82.4
166.05952	2.7
176.04800	4.4
179.03488	23.5
180.04204	6.8
191.07149	3.3
194.05843	13.2
195.06609	100.0
196.06950	4.4
209.08171	39.4
225.50230	1.5
262.42520	1.6
297.03958	2.0
327.05148	11.2
342.11072	7.0
357.06448	2.4
357.13400	47.6
358.13702	5.4
405.15570	37.2
406.15781	3.5
447.09296	13.3
538.39716	1.7
542.07660	1.4
567.26556	9.5
568.26373	1.6
579.76984	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.6
58.00590	4.6
59.01377	100.0
59.09015	1.4
61.98826	5.1
65.55421	1.4
67.65920	1.3
69.45407	2.2
69.45823	7.3
71.01379	69.2
72.99313	4.5
73.02940	1.9
75.00886	4.2
76.20074	1.2
83.01395	2.5
85.02939	15.3
87.00877	4.9
88.98797	3.0
89.02442	93.8
93.03445	2.2
93.71215	1.3
95.01388	5.7
96.96016	1.2
98.19804	1.8
99.00857	1.7
99.28333	1.2
101.02442	33.9
113.02454	29.9
119.03498	33.8
121.01392	1.5
125.02461	2.4
131.03496	5.8
137.02457	1.7
143.03493	8.3
149.02490	1.8
149.04515	1.9
161.04575	9.1
163.11165	1.3
165.05475	1.4
173.04506	2.1
177.01935	1.6
179.05606	49.9
179.07188	2.5
191.05611	11.6
192.05910	1.7
195.06557	1.9
203.03490	1.2
209.08226	2.3
209.11850	3.6
210.12135	2.4
229.14381	2.5
287.08176	1.3
337.08035	1.6
341.06671	3.6
465.11816	4.4
526.18488	1.4
550.41614	1.3
627.16339	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	626.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45182	0.2
52.56581	0.2
57.03449	0.3
57.12508	0.2
59.01383	1.3
61.98835	100.0
63.99255	0.3
66.01669	0.2
70.08541	0.4
70.08897	1.0
71.01392	1.3
85.02979	0.9
87.97620	0.2
89.02466	0.5
101.02433	0.3
113.02505	0.3
119.03531	0.3
129.01988	0.3
130.69022	0.2
141.71098	0.2
191.05713	0.5
203.03687	0.3
218.05875	0.3
233.08372	0.3
252.31267	0.3
383.11893	0.3
563.17773	3.8
564.18250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53044	0.5
55.38807	0.5
59.01361	1.2
59.50109	0.4
67.33653	0.7
69.16660	4.6
71.01387	1.3
71.16362	0.5
72.46007	0.5
92.39729	0.5
93.03475	0.9
119.05025	93.4
120.05360	3.2
124.01691	2.6
139.04018	8.9
161.04568	0.6
163.04005	100.0
164.04382	3.4
182.15688	0.5
191.05714	0.8
323.13406	0.7
324.13812	0.6
325.09283	12.9
325.13391	0.6
353.55655	0.6
405.21432	0.6
618.24182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2098
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
62.41477	0.2
70.64918	0.4
70.65239	0.3
73.02956	1.0
87.03887	0.2
93.83157	0.2
145.85204	0.2
190.52686	0.2
222.63974	0.2
234.01013	0.2
423.14957	0.3
437.12463	0.8
438.13300	0.9
450.13431	0.3
451.14246	1.1
452.14825	3.8
453.15289	0.7
459.81088	0.2
464.14420	0.4
465.15649	0.8
466.16260	0.7
469.11349	0.5
479.16940	0.8
480.14542	0.9
481.14999	8.1
482.15387	1.6
484.13684	0.4
493.15359	1.3
494.15881	0.8
495.16757	14.5
496.17023	3.1
507.16653	0.9
508.18253	1.9
509.18356	1.5
510.18008	0.4
512.13263	1.2
521.14612	1.0
523.19598	0.9
524.20038	0.3
526.15192	0.8
533.18408	1.0
534.18591	0.4
535.16388	1.9
536.16943	2.7
537.17700	0.3
539.15546	0.7
540.16663	3.2
541.16547	0.7
551.19360	38.3
552.19623	7.6
553.17670	0.7
554.17621	1.0
555.19055	1.5
568.16400	0.9
572.15399	2.8
573.15887	0.6
583.21149	0.3
586.17249	2.1
587.16907	0.6
595.18341	8.1
596.18701	1.5
627.20941	100.0
628.21234	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	626.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98830	100.0
62.98529	0.3
69.19984	1.5
69.20412	0.6
70.28159	0.2
71.01408	0.4
76.87933	0.2
85.02995	0.3
89.02446	0.2
94.93519	0.2
96.96019	0.5
126.28690	0.2
167.67039	0.2
207.32935	0.2
218.06058	0.3
222.94016	0.2
241.00308	0.3
263.81421	0.2
300.02802	0.3
304.83884	0.2
307.30923	0.2
313.37204	0.2
315.05179	0.9
383.11691	0.3
519.11487	1.0
563.17639	1.9
564.17383	0.3
627.13562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
59.01382	1.3
61.98833	100.0
68.95291	0.2
69.21632	2.2
69.22041	0.5
71.01398	0.8
71.12130	0.3
75.00905	0.3
85.02953	3.3
89.02450	0.7
89.21468	0.3
93.03495	0.7
96.96037	0.4
97.02987	0.3
101.02459	0.5
109.02966	0.5
111.00871	0.4
113.02507	0.4
123.04533	0.7
124.16568	0.3
125.02463	0.6
129.01929	1.0
135.04561	0.5
137.02477	0.6
139.04012	0.4
139.11305	0.6
149.02454	0.6
161.02422	0.4
167.03563	0.4
173.01007	0.3
173.04587	0.4
175.04057	0.4
179.03560	0.4
183.10162	0.4
191.01962	0.3
191.05597	1.4
205.61571	0.3
231.06543	0.6
582.29547	0.7
627.17114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04884	1.2
59.01375	5.7
61.98832	31.2
62.43240	1.1
71.01385	1.5
72.96796	1.2
73.62138	1.1
79.95750	1.4
85.02962	2.9
96.96014	10.9
107.92365	1.3
108.02195	1.3
110.00089	4.9
123.04485	1.2
136.98795	3.3
137.02493	1.3
137.99611	3.8
139.00359	5.1
152.01080	1.4
164.98318	6.1
165.99077	18.4
166.99901	7.4
183.04483	1.8
193.98491	1.4
227.03563	3.0
230.40382	1.8
241.00189	2.6
255.02914	2.5
271.02496	3.9
299.01978	14.3
300.02740	35.0
301.03076	2.6
314.04337	23.4
315.05106	96.8
316.05435	7.1
349.91425	1.1
386.82697	1.7
401.12424	5.0
436.99338	1.2
456.60156	1.2
477.10370	6.5
519.11426	100.0
520.11859	12.5
563.17596	5.3
627.13751	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	626.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28680	1.0
59.01389	4.1
61.36053	0.8
61.98828	25.1
69.64207	4.6
71.01392	2.0
73.02943	0.8
83.60611	0.8
85.02964	4.5
89.02433	1.3
93.03480	1.0
95.35398	0.8
96.96023	1.3
108.02151	3.3
109.02940	1.8
123.04516	3.5
125.02442	1.9
129.01955	1.4
137.02402	1.4
151.00343	3.4
152.01108	5.0
163.00346	0.8
164.04749	0.9
167.03491	10.6
168.31004	0.8
177.01912	1.2
183.04611	1.1
189.01921	1.1
191.05612	1.8
199.03954	4.5
215.03461	1.2
217.01454	1.3
227.03554	4.3
241.14351	1.3
243.02950	14.1
244.03435	1.2
255.02954	13.3
256.03244	1.5
271.02469	24.3
272.02884	2.5
289.07104	1.0
299.01953	60.4
300.02676	18.2
314.04309	58.1
315.05045	44.5
315.08810	1.2
316.05212	1.6
355.08276	1.3
435.24545	1.1
465.11728	3.3
477.10254	2.1
519.11407	100.0
520.11823	11.4
626.24512	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	625.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08016	1.0
51.80687	0.9
57.03448	5.5
59.01380	33.0
61.98833	8.3
65.40298	0.9
68.28252	0.9
69.34946	7.4
71.01385	15.3
72.99297	3.2
73.02930	2.6
75.00868	1.0
79.05531	0.8
83.01379	3.1
83.05013	3.3
85.02934	5.0
86.73988	0.9
87.00872	11.2
88.98782	2.7
89.02450	11.7
93.03462	1.0
95.01376	1.1
97.06617	1.9
101.02444	8.7
107.05047	5.5
108.02163	1.6
109.02904	1.3
109.06618	1.0
113.02450	5.0
117.03464	5.5
119.03542	4.7
119.04993	3.9
120.05795	4.4
121.02937	2.3
122.03719	1.1
123.04492	3.6
125.02444	13.8
133.02933	2.1
135.04532	5.2
137.02419	2.0
145.01904	1.2
145.02963	17.7
146.03680	4.4
147.04575	5.6
149.02411	2.0
150.03201	3.1
151.03983	3.3
152.04701	1.7
157.06599	1.2
161.02461	20.6
161.04510	2.1
161.09723	21.1
161.13336	6.3
162.01965	1.5
162.03233	26.1
163.03973	6.7
163.11253	4.1
164.04758	1.5
165.05515	4.2
169.10144	1.2
173.04527	1.9
173.05922	1.0
175.03970	1.3
177.01889	1.5
177.05565	8.3
179.05647	2.0
179.07072	1.3
179.10699	1.0
180.04265	8.9
183.13876	2.1
187.11282	25.2
188.11615	1.4
189.09203	14.5
191.05594	4.0
195.06616	13.0
203.10735	2.2
205.12326	11.4
207.10275	3.4
209.18419	1.1
223.13383	4.6
229.12358	1.8
231.10089	2.4
249.11331	14.8
250.11636	1.4
255.06982	1.0
267.12354	9.3
287.05380	1.5
289.07175	2.3
339.10434	1.5
343.10373	2.4
357.11902	11.3
375.07217	1.0
403.13467	1.2
429.17371	3.3
537.13226	1.5
607.24072	22.0
608.24438	2.2
625.15729	4.3
625.24951	100.0
626.25275	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	625.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.4
58.00581	3.4
59.01383	20.0
61.98835	12.6
62.67233	0.8
65.17133	0.7
69.55260	0.7
70.12956	0.7
71.01384	9.0
72.99304	1.8
73.02951	2.7
75.00870	5.2
80.96516	1.0
83.01374	2.3
83.05032	2.6
85.02940	3.9
87.00876	10.6
88.91095	0.8
88.98788	1.5
89.02450	2.4
93.03462	2.3
95.01378	1.6
96.96006	0.8
97.06579	0.9
101.02457	3.7
107.05032	5.0
108.02190	1.0
109.02966	2.4
113.02431	3.2
117.03488	1.4
119.03490	0.8
119.04999	4.0
120.05788	2.9
121.02966	3.8
122.03719	3.2
123.04523	4.4
125.02463	11.2
126.02742	1.7
127.72093	0.8
132.61380	0.7
135.04507	3.3
136.01814	0.8
137.02428	2.3
137.06071	1.0
139.00363	1.6
141.05585	0.8
143.03563	1.0
145.02921	2.8
146.03697	1.2
147.04485	2.0
147.08078	0.8
149.02452	12.3
149.06044	1.3
150.03226	63.1
151.00404	1.1
151.04007	6.0
152.01132	1.0
152.04739	2.0
157.06641	1.2
159.08151	1.2
161.02469	5.6
161.04547	2.3
161.09721	18.3
161.13336	5.6
162.03255	4.0
162.10065	1.4
163.04039	4.3
163.07552	0.9
163.11276	3.3
164.04787	5.5
165.05569	67.5
166.05902	3.2
167.85506	0.8
173.04567	2.0
175.03938	1.3
177.01901	1.3
177.05557	2.7
178.99895	0.9
179.03543	1.2
179.07077	0.8
180.04291	5.0
187.11259	21.1
188.11618	0.9
189.09233	14.6
191.05612	5.6
193.05023	1.8
195.06615	27.0
196.06995	0.9
198.48988	0.7
203.10739	1.7
205.12292	7.0
207.10268	5.3
209.11774	1.0
223.09674	0.9
223.13338	2.0
229.12367	0.9
231.10233	2.3
243.02921	0.9
243.06598	1.0
245.08174	1.5
245.92854	0.7
247.13628	0.8
249.11305	11.0
267.12421	7.0
271.02463	0.9
287.05444	1.0
288.05832	0.8
289.07108	3.1
291.07184	0.8
300.02841	3.2
327.10757	3.3
361.29544	0.9
362.73734	0.7
403.13724	2.2
411.16815	2.1
483.18741	2.8
505.33542	6.1
521.32892	1.5
565.35657	1.2
577.22919	7.1
589.22961	1.6
607.24103	16.4
608.24408	1.8
625.24945	100.0
626.15271	0.7
626.25256	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	625.25
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
57.03459	3.4
58.00582	3.0
59.01381	13.2
61.98831	28.3
71.01375	3.8
71.05038	0.8
72.99258	1.2
73.02934	2.0
74.98013	0.7
79.05531	0.7
83.01366	1.3
83.05019	2.9
84.76922	0.6
85.02943	2.1
87.00877	10.4
89.02434	0.8
93.03477	1.4
97.06574	1.4
101.02428	3.0
105.07106	0.7
107.05052	5.8
108.02135	1.1
109.02943	1.3
113.02446	2.3
113.06076	0.9
117.03469	0.7
119.04986	0.8
120.05807	4.6
121.02928	2.8
122.03732	3.1
123.04501	2.5
125.01651	0.7
125.02449	2.5
134.18353	0.8
135.04498	2.4
137.02406	1.0
137.06032	1.1
145.02936	2.1
146.03712	1.0
146.07303	0.7
149.02446	11.4
150.03224	62.6
151.03886	4.2
152.04750	1.7
157.06618	1.3
159.03127	0.8
159.08144	1.7
159.11755	1.5
161.02481	3.3
161.04448	1.1
161.09723	20.5
161.13368	6.4
162.03239	4.0
162.10056	1.2
163.04004	3.4
163.11270	2.9
164.04794	4.8
165.05563	72.5
166.05864	1.4
169.10217	0.8
171.08202	0.7
172.08910	0.7
173.04556	1.2
177.05556	1.6
179.03517	0.9
179.07103	0.9
180.04234	4.8
181.05096	0.8
187.11279	26.2
188.11620	1.3
189.09221	15.9
191.05598	2.1
193.04959	0.9
195.06619	36.7
196.06961	1.6
203.10765	1.3
205.12315	8.9
207.10245	4.9
223.13335	1.9
231.10271	1.6
249.11287	17.0
267.12387	5.6
289.07156	0.7
327.10742	2.7
334.71600	0.7
338.31830	0.7
376.26123	0.6
411.16266	1.7
483.18524	1.8
545.52667	0.8
577.22821	8.4
589.22736	0.9
607.14032	1.2
607.23944	21.0
608.24268	2.3
625.24976	100.0
626.25256	13.7
650.09241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2501
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
50.26669	0.8
52.24664	0.9
57.03439	4.2
58.00591	3.5
58.74921	0.8
59.01380	21.1
59.17730	0.8
61.98831	22.2
67.01860	0.9
69.38994	2.2
69.39401	5.3
71.01382	7.0
71.47342	1.0
72.99319	1.9
73.02943	3.1
75.00867	1.5
76.68029	1.0
80.96508	3.1
81.03474	1.0
83.01383	2.5
83.05018	4.2
85.02931	6.4
87.00877	10.5
87.49164	0.9
88.98805	1.1
89.02441	3.0
93.03448	4.8
97.06590	2.3
99.00873	1.5
101.02435	4.1
107.04388	0.9
107.05000	4.8
108.02168	2.1
109.02928	2.4
111.00880	1.2
111.04515	1.1
113.02440	3.9
119.04999	2.0
120.05754	2.9
121.02948	3.9
121.06582	1.0
122.03735	3.1
123.04509	3.1
125.02444	8.1
129.01924	1.3
133.01418	1.0
133.02930	3.4
135.04524	3.5
136.01649	1.3
137.02434	3.9
145.02931	3.5
149.02420	9.9
150.03224	57.1
151.04088	4.7
152.04689	1.5
157.06573	1.1
161.02409	3.7
161.04529	3.2
161.09718	16.8
161.13399	6.2
162.03258	4.5
162.09933	1.2
163.03970	4.4
163.11269	2.5
164.04767	3.6
165.05566	58.1
166.05884	3.1
173.04538	2.7
175.02473	1.1
175.07611	1.0
177.01900	3.0
177.05531	2.1
178.02667	2.0
178.65973	0.9
179.03427	1.7
180.04277	5.8
187.11276	19.9
189.09219	10.2
191.05634	7.5
195.06636	28.9
205.12297	8.7
207.10222	4.4
209.11884	1.2
223.13403	3.0
225.00700	1.7
231.10112	1.2
244.01575	1.1
249.11285	10.0
267.12283	4.1
272.83395	0.9
278.07825	1.1
285.03998	2.1
287.05536	1.5
289.06903	1.3
300.02835	2.0
327.10883	2.5
411.16418	2.4
439.63116	1.0
450.42953	0.9
467.98767	0.9
483.18979	1.3
505.33670	2.6
521.33142	1.7
577.22882	6.5
589.22217	1.1
607.24103	17.2
608.24280	4.2
625.24994	100.0
626.25378	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	625.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.2
58.00584	2.0
59.01379	22.2
61.98831	21.2
64.79073	0.7
67.01866	0.8
71.01376	9.4
72.40066	0.8
72.68645	0.7
72.99306	1.5
73.02937	3.2
75.00874	1.0
75.52174	0.7
80.96516	3.4
81.03460	0.7
81.62719	0.7
83.01385	2.0
83.05015	3.5
85.02956	6.0
87.00879	10.1
88.98800	1.1
89.02453	3.4
93.03469	5.1
95.05031	1.0
96.96033	1.6
97.06569	1.8
98.19914	1.7
101.02441	4.6
107.05036	3.7
108.02168	1.1
109.02945	1.3
113.02476	3.9
119.03524	0.8
119.04977	1.3
120.05788	3.6
121.02927	4.4
121.06552	0.9
122.03722	2.4
123.04516	2.8
125.02452	7.2
129.01933	1.5
133.02917	1.7
135.04523	4.1
136.01653	0.9
137.02440	4.6
145.02960	2.4
147.04460	1.5
147.08105	0.8
148.73999	0.8
149.02438	11.7
150.03221	58.6
151.00346	0.9
151.04021	5.3
152.04721	1.6
157.06546	1.2
159.08089	0.9
161.02441	3.9
161.04602	2.2
161.08467	1.3
161.09712	14.5
161.13380	4.8
162.03209	3.7
163.04008	2.7
163.11272	2.3
164.04803	5.4
164.98595	1.0
165.05566	58.9
166.05888	2.1
173.04576	4.0
177.01938	1.5
177.05553	2.7
179.03557	1.0
180.04279	4.9
187.11284	18.8
188.11607	1.4
189.09230	8.7
191.05603	8.7
193.04861	0.9
195.06639	27.5
196.06897	1.6
201.24681	0.7
203.10808	1.0
205.12369	8.0
207.10306	4.7
209.11777	1.1
223.13329	2.2
225.00674	1.3
231.10292	1.3
249.11328	9.1
267.12347	5.4
269.64667	0.8
271.02548	1.4
285.03998	2.8
289.07245	2.1
290.81387	0.8
300.02524	1.7
309.09750	1.0
327.10864	1.4
411.16449	1.5
418.10776	1.3
449.14529	0.9
451.19861	1.0
460.24954	0.8
483.18704	2.2
505.33636	4.8
521.33429	1.6
577.22528	6.1
578.23346	1.3
589.22699	1.0
607.24017	15.8
608.24121	1.2
625.24957	100.0
626.25348	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	625.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20214	0.7
59.01367	1.5
62.21586	0.9
69.80251	4.0
71.01375	1.2
85.02917	0.9
91.25825	0.8
93.03451	16.3
102.98580	1.5
119.05022	85.6
120.05357	2.6
125.54414	0.7
132.99626	0.8
135.01219	1.4
137.02444	35.4
138.02742	1.2
163.04002	100.0
164.04350	3.6
191.05635	2.3
299.07623	5.3
325.09308	14.7
565.25073	1.0
625.14050	1.0
639.52972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
65.35132	0.9
71.01394	1.9
71.54307	0.9
74.52583	0.8
78.95896	1.0
89.02453	2.1
93.03456	3.8
96.96004	1.1
98.13882	0.9
113.02457	1.4
119.05022	92.9
120.05365	3.5
125.67100	0.8
137.02449	10.6
155.61508	0.9
163.03998	100.0
164.04330	3.0
170.50372	1.1
186.04094	1.1
267.65610	1.0
299.01993	1.2
299.07788	3.0
323.13446	4.2
325.09277	10.7
326.09390	1.0
497.28064	1.1
553.16956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58739	1.0
57.03465	1.0
59.01380	33.1
70.39643	3.2
70.46542	1.2
71.01378	19.1
72.99306	1.7
85.02956	3.9
86.22353	1.0
89.02448	22.3
90.45420	1.1
93.03471	2.9
96.95982	1.3
101.02435	15.5
110.64091	1.0
113.02432	9.0
118.96754	0.9
119.03500	9.3
119.05048	3.1
137.02478	5.4
137.35870	0.9
143.03484	1.2
163.04068	2.1
203.08159	1.1
323.13443	100.0
324.13782	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	625.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.5
71.01389	2.3
71.53667	0.4
71.54056	0.9
72.99322	0.6
73.02975	0.5
85.02947	1.8
89.02462	0.8
93.03457	46.0
94.03798	1.6
95.76194	0.5
101.02455	1.2
119.05027	69.3
120.05354	1.8
123.64558	0.5
130.77090	0.4
137.02443	100.0
138.02779	3.3
138.08578	0.6
144.62901	0.6
151.04024	0.5
161.04631	0.7
163.04005	74.8
164.04286	2.3
171.03607	0.5
191.05591	1.7
209.11769	0.8
271.02570	0.4
299.07687	17.7
300.07993	1.3
325.09286	11.7
326.09705	0.7
376.89291	0.5
460.63788	0.5
606.33527	0.6
654.82990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
59.89415	0.7
69.63792	4.6
71.01362	0.9
71.70988	0.8
74.82459	0.8
89.02453	1.6
93.03436	2.7
93.26576	0.8
94.78650	0.8
116.86564	0.7
119.05025	94.4
120.05360	3.6
137.02440	6.0
137.49930	0.7
138.64719	0.8
141.71773	0.7
147.30286	0.8
163.04007	100.0
164.04335	3.5
172.46251	0.9
299.07452	1.2
323.13406	2.8
325.09323	12.3
443.74942	0.9
573.20349	0.8
593.88226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.3
57.03415	1.6
59.01381	100.0
61.98812	1.9
69.22105	11.7
71.01061	1.5
71.01389	16.1
73.02947	6.6
83.01387	4.3
85.02953	13.9
87.00864	2.5
89.02451	2.1
89.99718	1.1
95.01356	1.9
99.00861	2.4
101.02438	15.0
103.37745	1.4
111.00870	1.5
113.02438	8.1
113.74056	1.1
114.48515	1.2
115.00333	1.9
116.77566	1.4
125.02432	2.4
129.25017	1.2
135.56917	1.1
149.35112	1.2
159.03017	2.4
161.04559	3.7
175.02435	5.3
191.05591	5.7
283.06155	2.0
311.05594	3.6
330.31235	1.2
390.58905	1.3
427.77640	1.4
429.97626	1.2
431.09598	3.7
519.28088	77.5
520.28320	7.8
537.29132	30.2
538.29279	2.5
579.30493	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	624.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53056	0.2
57.42060	0.2
58.91406	0.2
61.98830	100.0
77.68986	0.2
81.05815	0.2
90.07911	0.2
94.02959	0.2
94.73994	0.2
104.34929	0.2
124.01657	0.7
138.18271	0.2
139.04053	0.7
140.04341	0.5
236.18192	0.3
270.81876	0.2
406.35049	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1411
Annotation	quercetin-3-gentiobioside
Peak:m/z	Relative Intensity
52.42250	0.4
53.20199	0.3
63.02408	0.5
65.00320	0.9
69.96761	1.8
78.23463	0.4
83.01396	0.9
107.01377	1.9
108.02166	1.3
109.02943	0.4
111.00887	0.9
121.02953	0.7
124.01677	0.4
130.19026	0.4
135.00908	1.0
148.01677	1.4
149.02580	0.5
151.00369	6.8
163.00381	1.1
164.01089	0.9
167.03503	0.6
178.99881	4.7
179.03401	0.4
183.04610	0.5
191.03438	0.5
193.01418	0.9
199.04034	0.6
211.03992	0.4
215.03583	0.7
216.04239	0.5
226.02725	1.9
227.03491	2.9
239.42880	0.4
243.02983	11.9
244.03340	0.9
254.02193	2.0
255.02986	28.5
256.03363	1.6
271.02478	61.1
272.02942	5.0
273.03986	0.7
278.45325	0.4
299.01990	3.0
300.02756	100.0
301.03369	13.4
384.46167	0.4
445.07822	1.0
463.08539	1.1
505.09995	0.9
625.14093	83.0
626.14545	10.8
627.03552	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06065	0.6
57.03442	1.4
59.01385	7.9
61.98837	5.4
69.81423	3.4
71.01374	2.3
73.02946	1.1
83.01370	1.4
83.66064	0.7
85.02953	8.3
87.00869	0.6
89.02435	0.7
93.03465	1.4
95.01379	2.9
96.96006	0.6
97.02966	1.2
98.20025	0.9
101.02471	0.8
101.62059	0.6
104.48019	0.6
107.05023	0.9
109.02938	1.4
110.45195	0.6
111.00880	2.5
113.02457	0.7
119.01366	0.8
121.02940	1.4
123.00874	3.9
123.04492	1.7
124.01692	1.0
125.02463	3.4
129.01933	2.8
133.02954	1.1
134.03719	2.2
135.04550	1.6
137.02457	1.5
138.03239	2.0
139.00354	0.8
145.03036	0.6
147.04549	1.5
149.02386	1.2
149.06027	1.7
151.00320	3.8
151.03989	1.4
153.05573	1.6
155.10757	1.3
159.04503	2.0
161.02406	1.0
161.04590	0.7
162.01610	0.7
163.00327	0.7
163.03978	2.2
165.01958	0.9
165.05597	0.8
167.03505	0.7
175.04015	6.4
177.01917	1.4
177.05566	4.2
178.02740	0.7
179.03523	1.4
188.81763	0.6
191.03539	4.8
191.05302	0.9
192.07841	0.7
193.05101	8.0
199.09839	0.7
203.03477	7.2
205.03552	3.6
205.05121	0.9
206.05858	2.9
218.05832	5.5
219.06624	1.2
221.04544	30.6
221.08159	1.8
222.05057	1.0
223.04529	2.4
233.08171	2.5
236.06902	38.2
237.07213	2.7
251.09238	9.5
288.43719	0.7
323.05484	0.9
341.06369	3.2
353.06705	2.7
356.08997	5.6
357.09198	0.8
368.09000	1.9
371.07657	6.9
371.11563	2.2
383.11542	1.0
386.10080	10.3
387.10358	1.2
401.12399	100.0
402.12781	10.4
624.20905	1.1
630.54230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
59.01378	79.9
60.44389	0.8
61.98837	10.2
65.09547	0.8
67.01896	1.2
68.15502	0.9
69.03468	3.5
69.39452	7.0
71.01386	4.2
72.99300	2.8
73.02955	2.1
83.01394	1.0
85.02948	4.3
87.00874	1.6
88.98817	1.6
89.02459	3.2
93.03461	3.3
95.01393	1.6
96.76922	1.0
101.02425	2.4
108.02164	7.2
109.02951	6.1
109.06593	1.0
111.00909	1.4
113.02461	1.5
115.05592	1.0
119.03539	1.2
119.05045	2.7
121.02943	10.3
123.00137	1.0
123.00853	5.0
123.04530	2.2
125.02460	3.0
134.03809	1.3
135.00900	3.3
135.04527	2.1
136.01678	5.6
137.02437	4.6
138.03261	1.9
143.05008	3.1
149.06125	1.6
150.03265	1.5
151.04070	1.8
153.01952	2.3
159.04471	5.6
161.02483	2.4
161.04597	1.6
162.03207	2.3
163.00360	1.3
163.04037	5.6
165.00531	2.0
165.01924	34.2
166.02487	1.4
166.99843	1.3
171.04616	1.1
172.05313	3.6
173.04541	1.0
175.03996	5.0
176.04799	2.1
177.05583	9.2
178.02716	1.2
179.03471	3.3
179.07153	2.0
181.01599	1.1
181.05128	2.7
187.04008	35.6
188.04477	1.5
190.06406	1.6
191.03615	1.0
191.05530	2.9
191.07205	3.4
193.05019	2.8
202.06334	26.9
203.03450	4.7
203.06920	2.7
205.05113	7.9
205.08728	2.2
207.10300	5.6
217.08670	7.4
218.05849	6.4
219.06593	1.2
220.07397	10.9
221.04520	1.1
233.08177	8.6
235.09746	20.3
236.06921	1.7
284.03177	1.3
285.04034	4.1
312.09793	1.0
322.08170	1.1
341.10358	6.7
353.10178	1.5
365.10349	3.4
383.11276	8.3
386.13699	11.5
401.12100	100.0
401.16110	13.6
402.12375	9.0
402.17117	0.9
503.32401	1.8
535.12708	1.0
544.29315	1.0
579.33624	1.2
623.14221	2.2
623.24432	1.4
627.70612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
59.01383	32.3
60.99308	16.5
61.98819	4.2
71.01375	5.1
71.54836	1.1
72.99301	1.1
73.02954	1.7
75.00877	1.4
78.87093	0.9
83.01424	1.3
85.02960	16.1
88.98811	100.0
89.02449	1.5
93.03457	1.5
95.01416	2.6
97.03026	1.0
101.02432	2.4
108.02199	1.1
109.02988	1.2
111.00877	2.2
113.02422	1.6
119.03503	0.9
119.05023	4.9
121.02944	1.7
122.25797	0.9
123.00864	3.4
123.04531	5.1
125.02441	5.3
129.01932	5.6
130.67726	1.1
132.05804	2.9
133.06561	1.2
134.03769	1.7
135.04509	2.7
136.01619	1.4
137.02429	3.0
138.03288	1.5
147.04500	1.3
149.02419	1.1
149.06075	2.5
151.00356	2.8
151.03954	2.7
151.07629	2.4
153.05650	1.8
159.04477	2.4
160.01677	1.4
161.02457	1.5
161.04437	1.0
162.05658	0.9
163.04071	6.1
164.04781	3.0
165.01971	1.2
165.05457	1.3
167.03465	3.1
173.00819	1.4
175.04021	5.7
177.01799	1.1
177.05569	5.1
179.03482	3.7
183.10419	1.1
191.01927	2.5
191.03519	3.5
191.05409	0.9
193.05048	4.8
195.03043	1.1
197.04512	1.2
203.03522	6.6
204.04102	1.4
206.05830	2.5
209.04625	1.2
209.07985	1.1
218.05803	6.7
221.04550	25.6
221.08020	1.4
233.08128	3.2
236.06914	36.1
237.07191	2.4
241.15959	5.3
251.09209	9.2
285.14883	4.1
341.06479	3.1
345.15433	1.5
353.06824	1.1
356.08960	4.4
368.08731	1.9
371.07462	5.0
371.11447	3.1
383.10104	1.6
386.10022	8.6
401.12354	95.9
402.12650	9.3
455.70972	1.2
461.16367	1.7
466.17929	1.0
477.19806	1.5
491.19223	1.7
579.34259	2.1
623.23926	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	97.9
59.70703	2.5
60.01734	3.3
61.98825	3.7
69.72164	17.5
71.01376	48.5
73.02947	38.4
78.95936	3.7
83.00936	3.0
83.01376	16.2
85.02953	19.4
87.00879	8.4
89.02458	19.7
93.03436	5.0
96.96012	41.1
98.10807	2.7
101.02444	41.3
109.02953	13.6
113.02461	18.5
115.00340	4.7
118.60133	2.9
119.03492	6.8
119.05003	4.2
123.04533	3.4
125.02458	4.5
131.03516	4.6
135.04491	4.3
136.01648	10.0
146.03784	5.7
149.02411	5.7
149.04588	5.6
150.03215	8.4
151.04007	11.6
153.01898	4.7
161.02444	3.4
161.04547	9.7
162.03200	7.6
163.03993	6.3
164.04770	6.4
165.05579	10.4
167.22083	3.6
171.04506	3.3
172.05290	2.7
173.00906	2.8
173.04630	4.3
174.03232	3.1
175.02516	10.6
177.05606	6.3
179.07118	8.6
179.27890	3.3
187.04027	5.3
189.05508	7.4
191.05620	29.9
195.06638	3.3
202.06314	6.3
207.06589	3.6
208.28981	3.3
221.06552	3.4
225.11304	6.5
239.16431	4.1
297.06311	5.6
308.03317	15.0
309.07608	4.1
323.05725	26.6
323.09106	5.4
324.09903	16.8
327.12317	7.6
339.12363	100.0
340.12555	9.1
371.07321	4.5
374.32861	3.4
427.64011	3.4
443.09821	25.5
449.14783	5.5
461.10464	3.4
519.27032	9.2
561.18903	3.9
623.16107	42.4
623.25208	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	623.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
59.01383	32.3
60.99308	16.5
61.98819	4.2
71.01375	5.1
71.54836	1.1
72.99301	1.1
73.02954	1.7
75.00877	1.4
78.87093	0.9
83.01424	1.3
85.02960	16.1
88.98811	100.0
89.02449	1.5
93.03457	1.5
95.01416	2.6
97.03026	1.0
101.02432	2.4
108.02199	1.1
109.02988	1.2
111.00877	2.2
113.02422	1.6
119.03503	0.9
119.05023	4.9
121.02944	1.7
122.25797	0.9
123.00864	3.4
123.04531	5.1
125.02441	5.3
129.01932	5.6
130.67726	1.1
132.05804	2.9
133.06561	1.2
134.03769	1.7
135.04509	2.7
136.01619	1.4
137.02429	3.0
138.03288	1.5
147.04500	1.3
149.02419	1.1
149.06075	2.5
151.00356	2.8
151.03954	2.7
151.07629	2.4
153.05650	1.8
159.04477	2.4
160.01677	1.4
161.02457	1.5
161.04437	1.0
162.05658	0.9
163.04071	6.1
164.04781	3.0
165.01971	1.2
165.05457	1.3
167.03465	3.1
173.00819	1.4
175.04021	5.7
177.01799	1.1
177.05569	5.1
179.03482	3.7
183.10419	1.1
191.01927	2.5
191.03519	3.5
191.05409	0.9
193.05048	4.8
195.03043	1.1
197.04512	1.2
203.03522	6.6
204.04102	1.4
206.05830	2.5
209.04625	1.2
209.07985	1.1
218.05803	6.7
221.04550	25.6
221.08020	1.4
233.08128	3.2
236.06914	36.1
237.07191	2.4
241.15959	5.3
251.09209	9.2
285.14883	4.1
341.06479	3.1
345.15433	1.5
353.06824	1.1
356.08960	4.4
368.08731	1.9
371.07462	5.0
371.11447	3.1
383.10104	1.6
386.10022	8.6
401.12354	95.9
402.12650	9.3
455.70972	1.2
461.16367	1.7
466.17929	1.0
477.19806	1.5
491.19223	1.7
579.34259	2.1
623.23926	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49359	0.9
54.17831	1.0
56.65912	1.0
57.03448	2.1
59.01368	3.9
61.98827	1.2
69.80480	4.2
71.01360	1.5
73.02960	0.9
76.14343	0.9
81.03461	6.7
83.01382	16.3
85.02945	3.9
92.24740	1.0
93.03474	2.0
95.01371	1.2
95.05017	2.9
97.02937	2.9
98.20695	1.1
99.04478	1.8
101.02428	1.8
107.01326	1.1
108.02100	0.9
109.02943	2.6
111.04501	1.1
113.02444	1.1
117.03412	1.3
119.05015	2.4
121.02971	1.6
123.04514	22.7
124.04816	1.1
125.02440	12.5
132.05785	4.0
133.06537	1.6
135.04527	1.5
137.02466	7.1
137.06059	3.4
139.04021	2.4
145.02864	1.1
147.04510	2.3
149.02441	7.1
149.06032	3.5
151.03964	3.6
153.01912	1.3
159.04466	1.4
161.02434	1.8
163.00330	2.8
163.03984	2.7
164.04741	2.7
165.05518	1.8
166.02718	1.1
167.03490	53.1
167.04927	2.6
168.03802	2.1
173.06099	1.2
173.09546	1.5
175.00314	3.5
175.03958	3.2
175.07661	1.2
177.05498	3.0
179.03494	29.1
180.04108	1.4
181.05035	2.2
185.05981	1.6
187.03947	1.4
189.05519	4.0
191.03490	47.8
191.07123	1.9
192.03854	2.0
193.05028	6.1
195.02924	1.7
197.04483	2.9
201.05589	2.1
203.03494	3.8
205.05066	7.9
206.02278	1.2
207.02954	2.4
207.85687	1.1
209.04535	27.2
213.05524	2.3
215.03473	2.5
215.07104	1.3
217.05040	9.3
219.02975	2.3
219.06593	4.4
221.04567	5.9
227.06865	1.7
229.04922	2.7
231.06587	9.8
233.04529	13.5
235.06068	1.8
237.03839	1.6
239.05592	20.1
241.15894	8.9
243.02872	1.8
243.06537	1.2
245.04546	7.7
246.05101	1.4
247.06067	13.1
251.05544	4.0
255.06631	3.2
257.04556	7.2
259.06046	4.0
263.05560	7.1
267.06549	1.4
269.04410	1.2
269.08304	1.0
271.06100	1.7
273.07709	5.4
275.05582	46.2
276.05945	2.3
277.07089	4.3
281.04297	1.3
283.06006	2.0
285.14935	6.2
287.05515	7.2
289.07141	4.0
293.06570	6.2
297.07535	4.9
299.05591	10.8
303.08694	1.5
305.06616	13.9
309.07742	1.8
311.07974	2.3
313.07156	1.6
317.06610	7.0
323.07748	2.9
329.06216	1.9
329.09396	1.5
335.07748	5.2
339.08588	2.2
341.06543	11.5
363.08844	1.8
371.07596	3.0
381.10107	2.1
383.07672	11.5
395.07547	1.8
411.07028	2.2
413.08688	2.4
425.08685	39.3
426.08905	3.1
443.09869	3.8
449.08887	2.1
455.09769	27.0
456.09973	2.8
467.09912	7.4
485.10837	100.0
486.11151	10.7
491.19186	1.4
497.10953	6.7
503.11948	37.0
504.12253	3.0
515.11902	61.0
516.12122	5.9
527.11963	3.2
533.12964	16.3
534.13153	2.1
545.13318	2.2
569.13184	1.9
587.13989	8.1
588.14374	1.4
605.15015	9.5
623.15704	20.4
623.23920	3.0
624.16565	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	623.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.8
65.00330	0.7
70.16570	1.8
71.01385	1.4
73.02960	0.7
83.01393	0.9
85.02966	1.4
89.02447	0.9
93.03518	0.4
98.19925	0.5
101.02467	0.9
107.01392	1.0
108.02159	0.6
113.02493	0.7
125.02473	1.3
133.16907	0.4
135.04626	0.5
145.02921	0.5
148.01685	0.5
151.00374	4.2
163.00349	0.8
177.89008	0.5
183.04524	0.7
187.03893	0.7
189.81310	0.4
191.05537	1.4
199.03938	3.2
201.02034	0.7
203.03604	0.6
207.10222	0.7
215.03429	0.9
225.11246	1.0
227.03461	4.8
230.51065	0.5
242.02179	1.7
243.02969	16.7
244.03615	1.9
254.02197	0.8
255.02977	18.1
256.03479	1.1
257.04575	2.0
259.05997	0.8
270.01657	2.5
271.02460	52.8
272.03088	5.6
285.04071	4.2
286.04623	1.2
287.05652	1.5
299.01965	42.4
300.02713	72.1
301.03076	4.6
314.04312	24.1
315.05078	100.0
316.05432	6.4
367.19736	0.5
387.07059	0.5
389.15948	0.8
519.31775	0.7
558.37482	0.5
623.16119	84.9
624.16479	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	623.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
59.01379	20.4
60.99306	15.4
61.98822	2.0
69.03466	0.5
69.18535	1.1
69.18928	4.4
70.27431	0.5
71.01377	1.9
73.02964	0.9
83.05038	0.5
85.02951	2.1
87.00892	1.0
88.98804	100.0
89.02435	0.8
89.99139	0.7
93.03461	0.7
95.01364	0.6
96.95990	1.2
101.02441	1.4
109.02999	0.6
111.00885	0.6
113.02461	1.2
119.03445	0.5
119.05119	0.5
125.02424	1.3
137.02454	0.6
137.38176	0.4
139.45668	0.5
150.03218	1.1
151.03838	0.6
161.04619	0.6
163.04036	0.5
165.01857	0.6
165.05511	1.2
171.04521	0.5
175.04045	0.5
176.94423	0.4
177.05417	0.5
178.02429	0.6
185.09920	0.5
186.03151	0.5
187.04022	1.3
191.05675	1.8
193.05031	0.7
195.06595	0.9
199.80664	0.5
202.06291	0.7
203.03493	0.6
205.05156	0.7
215.67770	0.5
218.05959	0.7
221.04594	2.1
223.13449	0.5
236.06902	2.4
247.12285	0.5
263.12836	0.9
264.13184	0.7
265.13467	0.8
266.25220	0.5
306.29260	0.5
371.11472	1.6
373.07507	1.3
375.27448	1.1
401.12106	8.3
401.16333	1.4
402.12720	0.6
403.33014	0.5
495.80457	0.5
503.32007	2.4
519.31586	0.8
526.54779	0.5
533.16840	0.8
535.12970	2.0
579.25879	0.7
579.33673	3.4
588.96820	0.5
623.24738	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49061	0.3
59.01367	1.6
61.98827	100.0
71.54081	0.5
83.32707	0.4
116.59168	0.3
127.14136	0.3
137.06093	0.6
138.06395	0.3
163.72040	0.3
169.67032	0.4
217.90271	0.3
220.14011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63719	0.3
61.98831	100.0
70.02164	1.1
74.59174	0.3
92.68583	0.3
98.20010	0.4
127.75176	0.3
187.10521	0.3
191.05420	0.4
195.37541	0.3
228.39377	0.4
278.22180	0.5
565.90997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.6
58.00578	2.4
59.01379	100.0
61.98809	1.7
63.64416	0.9
69.15996	7.0
69.16400	1.9
71.01382	27.0
72.99299	1.8
73.02940	6.3
83.01376	1.9
85.02952	11.0
87.00861	2.5
89.02442	28.1
91.34724	0.8
93.03482	1.3
93.92839	0.8
95.01393	4.2
96.96016	0.9
98.95563	0.9
99.00878	0.9
101.02436	17.0
113.02454	19.7
119.03504	10.6
125.02452	1.6
130.96085	0.9
131.07118	2.9
137.02464	0.9
143.03481	1.8
149.04546	3.6
151.00426	1.0
161.04521	5.2
163.04037	1.3
166.02687	2.7
179.05618	4.8
181.05020	5.0
191.05580	3.1
245.09204	1.2
320.20999	0.9
383.85730	1.0
417.15411	5.4
447.07117	5.0
480.48593	1.0
517.26477	64.9
518.26929	5.8
535.27557	32.5
536.27856	2.6
577.29010	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30082	0.2
59.01371	0.5
61.98827	2.5
63.02398	0.9
69.37110	0.3
70.71984	0.6
95.05024	0.2
96.02196	0.3
116.92886	1.0
124.01661	41.3
125.01987	0.6
134.37312	0.2
139.04012	100.0
140.04350	2.3
148.71324	0.3
163.04056	0.6
181.05042	0.4
190.63420	0.3
277.21716	2.2
278.22018	0.3
283.08258	0.6
441.76837	0.3
501.23096	0.5
533.25708	0.4
545.22461	0.6
548.21124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79322	0.2
58.02978	0.8
59.01372	0.6
60.99300	0.9
61.98827	100.0
69.70700	1.0
71.01380	0.3
72.00912	0.2
72.99314	1.1
73.02987	0.2
74.02451	0.2
82.06596	0.2
88.00398	0.2
88.33031	0.1
88.98801	6.4
88.99357	0.3
89.02435	1.6
89.99151	0.5
91.00400	0.2
92.32556	0.1
93.03477	0.5
96.96007	0.2
101.02454	0.2
109.29996	0.1
111.01991	0.3
115.90967	0.2
119.05001	1.0
127.08756	0.2
129.10341	3.5
134.06117	0.6
136.52327	0.1
139.08751	0.2
143.11867	0.3
154.08708	0.2
154.46193	0.1
155.08243	1.7
163.04008	0.9
171.11391	0.7
179.15567	0.5
180.06656	3.1
182.36433	0.2
182.97334	0.2
187.10869	0.3
191.05640	0.3
197.16595	0.7
207.10156	0.2
222.16133	0.2
223.14503	1.3
225.11322	0.4
225.15833	0.2
225.81456	0.2
239.17731	0.2
240.17247	0.2
242.18748	0.2
247.14479	0.4
249.16089	1.7
275.21246	0.2
282.18307	0.2
293.15045	2.0
343.20056	0.2
344.16321	0.8
360.22729	0.4
404.21841	0.2
551.01611	0.2
559.31317	25.0
560.31604	3.0
622.32800	0.3
623.25494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.255
Annotation	Ixerisoside F
Peak:m/z	Relative Intensity
50.56065	0.6
55.01862	0.9
57.03448	1.7
59.01381	10.8
61.98827	7.5
69.26840	2.5
69.27257	3.0
71.01382	14.9
73.02944	5.3
75.00859	1.4
83.01392	2.2
83.05051	1.4
85.02953	7.9
87.00890	6.2
89.02445	2.6
93.03460	1.4
95.01385	1.3
96.59168	0.7
96.95985	1.0
97.06569	1.0
99.00891	2.8
99.04532	1.0
101.02430	7.8
105.21594	0.6
107.04991	1.2
109.02939	0.9
110.03758	1.8
113.02436	5.7
115.92043	1.4
116.92844	3.0
119.03522	0.7
121.02950	1.3
123.00893	4.6
125.06011	0.7
127.07645	1.1
129.01938	0.9
131.03477	2.2
135.04477	0.9
136.01659	1.3
137.02446	5.6
141.09291	0.8
147.04437	0.8
149.02440	8.8
149.04486	1.5
151.04004	1.6
151.11302	1.0
159.02959	1.3
161.02470	1.0
161.04631	3.6
161.05769	0.6
163.04001	0.8
167.07130	3.7
173.04585	0.7
175.03954	1.1
179.03499	0.7
179.07120	0.8
191.05663	1.3
191.07120	5.0
192.07912	41.7
193.08421	2.7
205.08661	1.9
209.11832	4.6
221.06456	0.7
303.14435	0.9
307.11850	1.0
371.11520	1.2
372.12106	0.8
408.76913	0.7
441.19205	18.6
442.19440	1.7
459.20956	1.0
603.24622	11.2
604.24756	1.1
621.25427	100.0
622.25745	11.8
622.35132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62017	1.0
57.03437	4.2
58.00590	7.2
59.01381	22.0
60.99299	1.4
61.98829	5.5
71.01373	11.3
71.55618	1.4
72.99302	2.2
73.02943	4.5
83.01379	2.7
83.04987	1.0
85.02945	20.1
87.00875	6.5
88.98796	4.0
89.02441	4.0
93.03460	2.0
93.07088	2.0
95.01403	1.1
96.96006	14.2
96.96943	2.4
97.02937	2.3
99.00865	1.8
101.02444	8.8
101.70424	1.0
108.05781	1.3
109.02924	2.1
109.06628	1.7
111.00910	1.6
111.04514	4.0
113.02438	5.9
113.06117	1.0
116.07093	1.0
116.17153	0.9
117.03497	1.0
119.04990	1.1
119.08661	2.0
121.02966	9.5
121.06578	1.9
122.03722	4.6
123.04554	2.2
123.08179	1.7
125.02446	2.7
125.06061	4.3
125.09753	1.0
126.38110	1.1
129.01942	2.7
135.04532	1.4
136.01614	1.3
136.05301	3.2
137.06100	1.9
137.09753	1.6
138.06844	2.5
139.07597	5.5
143.03458	1.2
145.02937	2.5
145.06590	1.7
147.03038	2.1
147.04469	2.2
149.02415	10.4
149.06068	2.1
150.03224	86.0
151.03835	2.4
151.07639	16.3
152.08392	4.2
153.09219	2.2
159.11729	1.9
161.02423	3.8
161.04611	6.5
161.09731	2.3
162.03215	4.0
163.03969	2.8
163.07629	2.8
164.04807	3.7
165.05560	99.2
166.05898	2.6
177.05573	1.4
179.03493	2.0
180.04271	6.4
185.09654	1.8
188.08374	1.6
189.05600	3.4
189.09157	1.0
191.01976	6.7
191.05618	4.9
195.06610	57.5
196.06915	2.3
201.11241	4.9
201.12869	28.1
202.13293	1.3
203.10732	7.1
204.11537	20.6
209.03029	1.6
209.08232	1.5
219.06642	1.2
219.13885	57.4
220.14288	2.6
227.10725	1.3
230.09558	2.5
245.11792	22.2
246.11987	1.6
263.12869	100.0
264.13141	5.5
287.12888	1.3
305.13953	1.4
327.10776	8.1
339.11383	1.2
357.12906	2.2
359.14902	1.4
372.12329	1.5
373.25949	2.8
407.17078	15.2
408.17053	1.2
420.44794	1.1
459.15070	9.8
533.16357	2.0
573.23407	23.3
574.23608	3.1
577.32074	5.9
579.30078	1.5
603.23883	2.2
637.45325	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90699	0.2
57.03446	0.3
58.00597	0.3
59.01377	100.0
60.01706	1.0
61.98839	1.1
62.79227	0.2
70.29690	0.5
70.30090	0.4
71.01382	1.5
72.99287	0.3
73.02938	0.5
82.82220	0.2
85.02940	1.8
87.00880	1.2
89.02464	1.1
96.96005	5.1
96.96967	0.4
96.97765	0.2
101.02438	1.2
110.25190	0.2
113.02453	1.0
119.03561	0.3
119.05025	0.3
121.03016	0.3
125.02455	0.3
134.03717	0.3
135.04506	0.2
143.03531	0.3
145.02930	1.0
149.02415	0.2
150.03203	1.3
151.04027	0.4
161.04570	0.7
163.04042	0.7
165.05563	1.1
179.03529	0.4
179.05679	0.2
179.07213	0.3
185.02267	0.2
191.01967	0.4
191.05585	0.4
195.06624	0.7
201.11259	1.1
204.11627	0.4
209.06262	0.3
209.08162	0.5
219.08109	0.4
219.13916	0.6
225.09219	0.2
235.07648	0.8
237.09200	0.5
239.07069	0.4
245.06015	0.4
245.11700	0.3
246.06844	0.3
247.07748	0.6
251.07138	0.4
253.08711	1.5
262.06290	0.3
263.07144	2.9
263.12756	1.1
264.07956	0.2
265.08594	0.3
268.11038	0.7
273.05664	0.3
275.07095	0.4
276.07928	0.7
279.06747	0.3
280.07397	0.5
281.08176	7.1
282.08502	0.5
291.06726	2.0
291.13742	0.2
292.07266	1.5
293.08145	2.5
294.08810	1.6
295.09622	1.0
296.10559	1.8
306.09131	0.5
307.09711	1.0
308.06998	0.5
308.10483	2.5
309.07675	31.0
309.10870	1.4
310.08047	2.5
323.06357	0.2
323.09204	7.4
324.09995	21.8
325.10251	1.8
339.12338	79.5
340.12686	7.4
450.19641	0.3
459.15140	0.4
559.14374	0.3
561.29248	1.0
577.32355	0.7
579.30237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17580	0.4
59.01381	6.2
61.98810	1.1
67.01904	1.1
68.23148	0.4
69.03458	0.5
69.47960	3.0
71.01389	3.3
73.02951	1.7
83.01392	0.5
83.26514	0.5
84.02155	0.4
85.02968	4.2
89.02460	1.5
93.03442	0.4
93.67491	0.5
95.01360	0.6
98.20606	0.9
101.02437	1.9
109.02963	1.6
111.00882	0.4
113.02431	1.5
116.22155	0.4
121.02978	1.1
123.00889	1.9
125.02449	1.1
135.04482	0.6
136.01663	1.0
137.02457	8.6
139.00333	0.5
139.03989	0.6
149.02414	0.9
149.04491	0.6
150.03201	0.7
151.00369	15.6
151.01588	0.8
151.03989	2.3
152.01083	1.5
152.04822	2.1
153.01949	0.7
161.04611	0.5
164.04892	0.4
165.02020	0.7
166.02708	52.5
167.03407	3.0
175.03984	1.2
176.01122	0.5
177.01936	2.5
179.03490	0.7
181.05063	63.7
182.05376	1.8
184.03757	0.8
189.05554	2.8
190.02742	0.5
190.06337	1.3
191.01924	1.5
191.03590	0.8
191.05550	1.1
192.04222	1.0
193.04968	0.7
205.05096	1.1
205.08727	1.1
207.06569	0.8
211.07652	1.0
227.20625	0.5
314.07922	0.4
355.11667	0.6
357.09448	0.6
357.13397	1.7
359.11386	1.2
371.15027	0.5
387.10895	14.3
388.11057	1.2
402.13214	7.0
403.13477	0.7
417.15521	100.0
418.15851	8.4
459.14819	0.5
535.12927	1.1
561.28619	0.6
577.19275	2.7
578.17950	0.7
579.29840	0.7
621.29980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51320	0.2
59.01376	100.0
60.01712	0.9
61.98831	0.6
63.71096	0.3
70.29606	1.2
71.01376	1.0
73.02937	0.8
80.96047	0.3
83.05062	0.3
85.02943	1.2
87.00867	0.5
89.02449	0.9
95.01360	0.3
96.96003	4.1
101.02439	0.8
103.24849	0.3
113.02447	0.8
119.03444	0.4
125.02428	0.3
128.06082	0.3
145.02928	1.0
150.03235	1.0
161.04555	0.6
163.03961	0.3
165.05600	1.4
167.15381	0.4
179.07094	0.4
190.85188	0.3
191.01884	0.6
191.05621	0.3
193.04871	0.3
195.06615	0.5
201.11256	0.9
207.08086	0.3
219.13875	0.5
221.06126	0.6
235.07610	1.0
245.11969	0.3
246.06769	0.4
247.07655	0.4
253.08662	1.7
254.08821	0.3
263.07132	2.9
263.12961	1.4
265.08670	0.5
268.11102	0.9
274.06500	0.3
275.07062	0.6
276.08099	0.4
281.08148	8.4
282.08609	0.5
291.06656	2.0
292.07358	1.2
293.08154	2.1
294.08878	2.0
295.09613	0.4
296.10468	1.5
307.09732	0.8
308.10577	2.4
309.07669	32.5
310.08078	1.9
323.09204	6.3
324.09985	22.3
325.10245	1.8
338.07001	0.3
339.12335	86.9
340.12613	7.7
459.15170	0.4
561.28949	0.6
577.32825	0.6
579.30005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
57.03434	2.1
59.01379	84.3
61.20280	1.4
67.70396	1.5
71.01380	32.0
73.02554	2.8
73.02945	42.5
83.00945	2.0
83.01379	11.6
85.02959	10.8
85.03381	1.7
87.00879	1.8
89.02457	8.0
92.89600	1.6
95.01436	1.9
99.00878	1.9
100.10185	1.5
101.02438	39.7
109.02923	2.3
109.83868	1.5
113.02461	10.4
119.03503	3.7
121.02984	2.1
123.99674	1.4
125.02434	1.8
131.03523	2.6
135.04536	2.2
136.01666	19.0
143.03558	3.4
149.04524	2.8
151.04012	26.6
155.43089	1.7
159.04497	1.6
161.04567	5.6
162.03117	1.7
171.04459	2.8
172.05266	4.1
173.06079	6.8
179.05547	2.5
191.01871	1.8
191.05566	2.7
200.04805	1.9
267.06555	2.0
293.08176	3.7
294.08701	2.1
297.11313	3.5
307.87665	1.7
321.07632	6.6
322.08362	17.8
323.09479	1.9
337.10818	100.0
338.11169	7.3
342.10846	2.2
357.13428	34.8
358.13608	2.9
459.15399	1.9
561.29010	11.8
577.32355	2.9
579.30164	7.0
621.17590	2.0
621.29584	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	621.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85208	3.6
57.03425	5.0
59.01104	5.1
59.01379	66.9
61.98837	6.4
67.01911	5.9
71.01392	28.0
71.54653	4.6
73.02951	37.7
83.01368	10.1
83.39896	3.2
85.02947	26.4
85.75410	3.1
89.02434	7.4
95.01402	5.3
96.96027	8.8
99.28171	3.3
101.02431	26.3
108.02203	7.8
109.02948	14.0
113.02435	8.4
119.03513	3.6
119.04993	3.4
123.00848	8.5
129.01938	5.1
135.04459	4.1
136.01645	20.5
137.02388	3.9
139.08443	3.3
143.03491	3.7
149.04491	5.5
149.85416	3.4
151.00404	3.2
151.04004	35.3
159.04504	7.8
160.05315	22.8
161.02403	5.1
174.03252	5.0
175.03986	11.0
175.07700	16.1
176.04674	3.9
177.05533	4.2
187.03952	19.0
188.04741	15.6
189.05536	12.6
191.01967	8.4
191.05634	6.0
202.06355	4.0
203.07123	19.8
205.05020	7.7
217.05026	6.1
266.73621	3.1
310.08423	5.3
325.07104	6.1
325.10718	37.2
337.10574	4.0
355.11908	13.1
370.83722	3.4
373.09033	14.5
459.14844	11.8
517.26337	9.3
535.18750	4.2
535.27374	6.9
577.19647	100.0
578.18604	10.9
583.69379	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	620.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
63.13537	0.9
70.51196	2.1
70.51562	1.7
94.01834	0.9
100.09634	1.0
107.96237	0.9
121.76358	0.9
124.05965	0.9
124.94205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55861	0.3
55.10073	0.3
58.31817	0.3
61.98828	100.0
63.34537	0.3
63.99252	0.4
69.94236	1.2
76.58797	0.3
81.30590	0.3
81.32386	0.3
107.63647	0.3
111.05952	0.3
144.46410	0.3
145.86842	0.3
156.99802	0.4
161.56650	0.3
235.12128	0.4
418.31580	0.4
445.11203	0.4
471.87350	0.3
526.49945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
57.03449	14.0
59.01379	3.1
67.01888	0.7
68.16798	0.5
68.99807	0.6
70.02309	2.2
71.01382	3.5
72.99303	0.6
73.02942	1.4
83.01392	4.9
84.02176	1.7
85.02950	100.0
86.03288	1.9
87.00868	0.9
89.97123	0.5
96.96010	2.1
96.96931	0.6
98.19941	0.7
101.02417	1.3
108.02204	0.6
111.00881	15.4
113.02477	0.7
121.02957	4.4
125.02467	1.1
129.01950	42.4
130.02309	1.1
132.02180	0.6
141.58163	0.6
145.01453	0.8
147.03000	10.8
147.04385	1.1
148.03374	0.6
149.02443	26.1
150.03145	1.0
151.04048	0.9
159.04454	0.8
163.03920	1.7
164.04788	15.7
165.02016	0.7
165.05470	1.9
166.02740	0.9
167.03557	0.6
172.74818	0.6
173.00905	17.1
175.00391	2.0
179.07106	1.6
181.05069	1.4
189.05504	0.8
190.02734	6.4
191.01953	8.1
191.03461	0.9
191.05609	0.7
193.01414	1.8
193.05107	0.7
205.05013	6.6
207.06593	0.5
208.03717	2.6
209.02922	0.7
213.07516	0.8
219.06726	0.8
223.06113	29.4
224.06520	1.2
248.06854	0.6
271.92645	0.6
291.08682	4.5
353.08850	5.1
397.07739	5.0
415.08701	1.8
417.15674	1.8
537.14148	0.6
621.19629	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	619.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98828	1.8
71.54086	1.1
98.24256	0.6
106.04268	1.2
107.69787	0.6
119.05049	2.3
137.06081	51.8
138.06398	1.0
170.44672	0.5
196.63751	0.6
215.21034	0.6
244.59906	0.6
277.21619	3.2
291.23239	0.9
304.58395	0.6
357.34082	0.6
457.27808	0.6
468.35336	0.6
479.71143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	37.5
69.54436	8.5
74.10612	1.4
76.12946	1.5
84.45982	1.2
98.20582	1.4
101.15749	1.2
320.61520	1.4
385.45776	1.4
401.14340	1.7
415.15662	5.2
416.16315	13.0
430.18018	1.9
431.18811	2.4
459.18240	100.0
460.18692	10.7
473.19791	16.9
474.20334	5.3
503.17017	2.8
517.19287	1.9
518.19537	45.6
519.19818	5.9
532.21136	8.3
533.21912	88.0
534.22192	12.3
587.22949	6.7
619.25568	92.0
620.25873	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	619.2559
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
61.98824	2.6
70.37807	3.4
78.95897	3.3
133.62869	1.1
140.65486	1.0
141.49196	1.2
146.96680	1.8
152.99614	1.6
154.94217	1.5
255.23245	2.7
415.15768	2.1
416.16467	13.6
430.18143	2.2
431.18576	2.0
458.17072	1.4
459.18262	100.0
460.18594	11.8
473.19855	13.9
474.20215	6.1
485.16385	1.7
501.19406	1.9
503.17178	2.7
518.11609	2.3
518.19525	44.5
519.19958	7.2
532.21094	5.6
533.21930	93.1
534.22040	10.4
543.20020	1.3
575.41333	1.4
587.23407	6.0
619.25580	93.5
620.25818	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	619.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.8
58.33836	0.5
59.01380	34.4
61.98839	1.2
68.65638	0.6
71.01385	13.5
72.99287	1.1
73.02943	2.6
83.01389	0.6
85.02936	3.7
89.02449	10.2
95.01414	0.9
98.20667	1.4
101.02444	4.9
102.10799	0.6
113.02442	5.3
119.03620	3.2
119.05033	18.3
125.01528	0.6
137.06075	1.6
161.04602	1.0
179.05637	1.3
218.52896	0.7
273.22192	1.8
277.21710	100.0
278.22009	5.8
281.10303	8.0
290.66440	0.7
291.23306	13.1
299.11368	5.6
301.21817	1.9
319.22784	5.4
550.61395	0.7
559.32843	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68007	0.3
53.57549	0.3
55.21682	0.3
55.44696	0.3
57.03447	0.4
59.01379	100.0
60.01712	0.8
61.98831	2.6
62.48404	0.3
71.01385	0.8
71.18588	0.4
73.02951	0.3
74.17920	0.3
85.02971	0.8
87.00866	2.3
88.00379	0.5
88.98796	1.9
89.02444	0.8
93.03437	0.8
96.96006	0.7
101.02481	0.4
113.02471	0.5
117.29368	0.3
119.05027	0.5
121.02965	4.5
122.03787	0.4
125.02497	0.6
135.04552	1.0
161.67155	0.3
163.04082	1.0
164.04825	0.4
169.01434	0.4
171.10303	0.7
190.29826	0.3
191.05655	1.1
201.11444	0.3
300.87762	0.3
340.09531	12.2
341.10068	0.9
355.11835	21.8
356.12195	2.2
487.32660	0.4
528.98407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
57.03458	2.5
58.00595	1.6
58.41588	0.6
59.01382	32.1
59.32984	0.7
60.01752	0.7
61.98832	1.3
64.92040	0.6
69.31593	5.1
71.01379	24.7
72.99306	1.5
73.02961	5.2
75.00855	1.0
80.62402	0.6
81.03476	0.9
83.01402	4.4
85.02949	14.8
86.03307	1.0
87.00875	2.4
88.98831	1.0
89.02448	17.2
89.03986	1.3
93.03451	1.1
95.01408	1.9
96.96004	1.2
99.00896	2.4
101.02440	17.8
109.02966	1.7
111.00909	1.3
111.04517	1.0
113.02455	10.7
116.59853	0.9
117.03466	4.9
119.03506	6.9
119.04999	0.7
121.02943	1.5
123.04543	1.4
125.02424	2.4
129.01920	3.5
130.05884	0.8
132.02179	15.3
133.02985	7.4
134.03746	55.1
135.04605	3.3
137.02469	2.3
143.03516	1.3
145.02936	1.2
147.04556	1.0
149.02423	1.3
149.06102	4.6
151.04002	1.2
153.05591	1.0
160.01666	57.5
161.02461	19.1
161.04593	1.9
163.04028	0.8
167.03477	1.0
171.11833	0.9
173.00885	1.0
173.04568	2.8
175.04005	62.0
176.04506	2.2
177.01935	1.0
178.02670	1.0
179.03479	3.9
179.05602	1.1
181.05145	1.1
189.12820	1.5
191.01891	0.9
191.07184	1.9
193.05060	34.0
194.05420	1.2
197.04526	1.5
207.06677	0.9
219.13806	0.8
220.77748	0.7
231.06609	1.1
232.14819	0.7
233.04529	1.3
235.06076	1.6
237.14931	1.2
255.03004	2.8
284.03229	3.2
288.28171	0.7
289.06912	1.0
299.02060	0.9
311.07779	3.6
316.23984	0.7
341.10358	1.0
353.10217	0.9
425.18228	1.9
443.19196	100.0
444.19473	8.2
451.06979	4.2
457.18600	0.7
485.50787	0.8
531.12207	1.1
575.24915	11.6
576.25031	2.2
587.21338	2.6
619.23944	95.8
620.24182	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	619.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63157	1.8
58.00564	2.8
59.01378	59.4
61.98809	4.6
71.01384	31.5
71.23833	3.8
73.02554	3.3
73.02940	45.2
78.46657	1.9
83.01393	13.6
85.02923	7.8
89.02419	6.1
96.96006	4.3
101.02445	33.1
108.02151	2.1
109.02918	4.2
113.02432	7.3
121.02937	2.5
123.04526	2.9
125.02428	4.5
131.03444	2.1
137.02457	2.9
145.02907	5.9
150.62471	1.7
151.03964	5.1
159.04565	2.7
160.05180	2.2
161.04533	5.9
161.05875	1.8
163.03976	2.7
165.01906	2.7
171.04448	2.1
179.03491	2.8
187.03922	11.5
188.04788	30.9
189.05305	2.8
203.07141	55.2
245.08221	2.6
289.07193	16.6
332.87152	2.0
353.10199	6.0
357.09656	2.2
371.11270	4.7
409.47357	1.8
445.51788	2.0
457.18958	9.9
516.71991	1.9
533.16833	2.9
575.17700	100.0
576.17914	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	619.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67494	0.3
56.15572	0.3
59.01379	100.0
60.01704	0.9
61.98829	3.7
66.57895	0.4
70.68787	1.0
71.01389	1.5
76.24314	0.3
86.36148	0.4
87.00874	0.4
87.09559	0.3
89.02435	0.5
93.03453	0.8
96.96020	0.7
101.02446	0.8
109.02972	0.3
121.02955	9.3
125.02461	0.7
135.04526	1.3
136.01668	0.4
137.02440	0.5
149.04565	0.4
154.45049	0.3
163.04008	0.8
164.04774	0.7
169.01462	0.8
171.10304	1.2
172.10503	0.3
191.05678	1.3
209.11897	0.7
210.12204	0.6
250.19580	0.3
320.46594	0.4
340.09503	17.5
341.09976	1.4
355.11844	32.6
356.12280	2.6
357.09995	0.4
358.10715	0.5
359.10553	0.8
449.14310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01120	0.9
58.02975	46.8
58.53841	0.8
58.72142	0.9
59.01382	3.2
67.01901	2.3
71.01378	1.6
73.65318	0.7
85.02950	3.7
87.00880	5.7
93.03457	18.1
94.03728	1.2
111.04542	1.7
127.04044	0.9
129.01935	0.9
134.03745	7.0
147.04497	4.0
164.07161	33.4
173.04541	11.5
191.05608	70.6
192.05962	1.8
193.05013	4.5
206.08211	100.0
207.08505	4.9
211.54559	0.8
250.07173	2.1
352.73666	0.9
367.10355	19.6
368.10617	1.6
469.95880	0.8
589.51740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38932	0.2
55.11938	0.2
61.98827	100.0
65.45908	0.2
70.36624	0.6
76.39088	0.2
85.70710	0.3
125.16588	0.2
181.77731	0.2
181.85638	0.2
255.23581	0.3
297.77725	0.2
323.60208	0.3
367.32074	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.99250	0.5
69.87934	0.9
78.91240	0.2
93.92107	0.2
135.60480	0.2
380.65375	0.2
536.80511	0.2
555.38434	0.2
623.59302	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
59.01109	2.9
59.01379	43.7
61.98825	10.0
67.01866	2.2
71.01378	23.8
71.23752	1.8
71.24097	3.7
73.02938	30.3
75.00892	2.6
83.01382	9.6
85.02947	15.0
89.02435	6.1
96.96007	5.1
101.02451	23.6
108.02158	7.3
109.02923	6.9
111.25658	2.3
113.02408	7.1
121.02958	3.7
123.04517	4.8
124.13402	2.1
125.02464	4.0
129.01990	4.0
131.03522	2.0
136.01694	9.6
137.02414	6.4
149.02362	2.9
150.03174	3.0
151.03987	5.1
159.04477	3.8
161.02353	3.3
161.04515	5.0
161.05972	3.0
162.03188	2.7
162.93217	2.0
163.03992	5.3
165.01930	4.6
173.06100	2.5
175.03958	5.7
176.04709	4.3
187.03992	9.7
188.04778	28.1
189.05391	5.4
197.42300	2.3
203.07135	50.0
204.07472	3.3
205.05057	2.8
219.06737	2.2
245.08159	3.6
289.07169	27.1
308.07025	3.0
338.07886	5.8
353.10226	12.1
371.11337	70.5
372.11618	6.0
432.22821	2.3
443.10019	2.4
515.15637	3.6
533.16345	5.9
575.17688	100.0
576.17853	12.1
619.25977	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	616.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83784	0.2
59.01371	0.6
61.49443	0.2
61.98829	100.0
63.99243	0.3
69.86981	0.7
69.87397	0.8
71.55093	0.3
116.40015	0.3
173.05315	0.3
255.23366	1.2
414.50305	0.3
552.76288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47107	0.6
59.01378	100.0
61.98846	1.5
69.19638	5.9
69.20061	1.3
90.97163	1.2
115.02546	5.6
117.00424	4.5
120.12275	0.8
132.98213	3.9
141.00543	1.0
156.99915	0.7
157.03510	1.2
159.01489	62.5
160.01740	3.3
174.99249	39.0
192.95892	2.8
201.02563	10.6
217.00285	84.0
218.00656	2.2
232.98325	2.3
248.96088	1.9
259.01633	1.8
274.99408	5.7
290.97162	3.7
298.99283	1.4
301.02652	23.5
302.02640	3.3
317.00394	62.1
318.00681	4.4
332.98160	22.8
333.02057	1.3
348.96252	1.3
359.01544	5.5
374.99237	36.3
375.99481	2.2
390.77438	0.9
390.97421	1.6
417.00409	1.2
432.98373	1.6
459.01758	5.5
460.02109	1.3
474.99304	32.7
475.99728	4.0
514.97729	1.6
555.00842	2.0
556.98322	42.4
557.98572	6.3
637.66663	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80526	1.4
57.03444	2.9
58.02962	2.0
59.01377	4.1
61.98824	3.1
65.21823	1.1
69.03434	1.2
70.02985	2.1
71.01398	5.7
71.05021	1.4
72.02163	7.7
73.02939	1.5
74.02473	9.5
75.00822	1.7
83.05030	4.0
85.02948	3.6
87.04530	9.0
89.02434	1.3
96.96002	1.5
98.03736	3.9
99.04520	1.8
108.02216	1.4
110.57893	1.3
111.08163	4.1
113.92711	1.1
116.03535	2.6
116.05075	1.9
123.04510	1.8
125.02436	1.7
137.09671	1.2
139.03996	5.4
139.11311	2.5
145.02919	1.3
147.05690	1.1
151.04063	1.1
152.01105	1.5
165.05531	1.2
165.12822	4.9
167.03467	3.6
167.14380	4.2
191.05536	1.6
195.13843	2.0
197.15475	15.9
203.08302	8.9
211.17072	2.2
221.15382	1.8
225.04094	1.7
239.16530	100.0
240.16878	4.2
241.14442	6.7
245.09274	18.8
283.15521	42.6
284.15869	1.9
340.02905	1.1
419.12909	1.4
491.11639	3.9
581.22345	7.4
597.69080	1.3
617.25604	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2613
Annotation	azadirachtin I
Peak:m/z	Relative Intensity
56.29051	0.6
59.01372	2.6
59.09188	0.6
61.98816	2.8
69.21461	5.6
71.01376	1.1
85.02930	1.2
93.53277	0.6
93.87315	0.7
94.06642	0.9
95.03755	1.5
96.08118	0.9
97.01693	0.9
98.20676	1.6
101.02448	0.9
104.05074	1.2
106.06630	3.4
108.04563	2.4
108.08191	18.1
112.03976	0.9
120.04527	1.6
122.06114	9.5
123.03186	1.1
124.07673	7.3
132.04555	45.9
133.05356	17.7
134.06131	13.5
137.02429	0.9
137.06084	0.9
138.05627	1.0
147.04489	0.8
148.04008	2.3
149.04753	2.2
150.05609	19.6
151.05806	0.7
152.07132	2.0
161.04747	1.4
162.05571	4.9
165.04311	30.3
166.04701	1.5
176.07158	1.6
185.08269	0.9
186.09198	2.3
191.05551	2.3
198.09253	1.7
212.10861	1.2
213.06667	1.8
214.12402	4.6
215.11894	9.7
225.10103	0.7
226.07527	1.3
227.08232	2.2
228.05511	1.3
229.09926	4.3
229.13437	2.5
239.08224	1.0
239.11848	1.2
240.10582	3.6
241.09830	6.8
241.13490	1.2
242.10199	1.1
255.11380	5.9
257.12943	65.0
258.13272	4.0
265.09811	1.2
267.11362	1.0
269.12827	1.2
271.14511	10.1
272.08072	1.0
272.14841	1.4
282.13388	0.7
283.10855	21.5
284.11121	1.2
300.11078	2.6
301.08557	1.5
301.11905	25.1
302.12271	1.1
327.09848	3.4
357.09744	2.3
388.16467	1.1
392.19891	1.2
404.19864	1.2
436.18683	1.0
555.26050	1.1
557.23993	21.3
558.24353	3.2
571.25366	1.0
581.23975	1.1
599.25067	100.0
600.25220	12.3
617.26105	67.2
618.26392	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	615.411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56118	5.1
59.01380	69.4
59.23106	4.5
61.98830	48.7
71.52116	4.3
71.53774	4.8
73.16649	4.3
78.95895	5.8
91.85316	5.3
152.99516	6.2
154.70265	4.3
183.10304	4.7
201.11365	27.6
209.11818	69.2
227.12871	5.5
253.21715	100.0
325.48203	4.6
375.32608	13.3
419.31516	44.5
445.33432	5.9
493.35315	10.2
537.37799	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	616.282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07486	0.2
59.01372	0.3
61.98829	100.0
62.98538	0.2
69.80207	0.3
69.80600	0.5
71.01382	0.3
79.32249	0.1
95.01408	0.2
106.04639	0.1
106.27084	0.1
119.76133	0.1
121.02975	0.2
125.02460	0.1
147.48216	0.1
151.00357	0.2
191.05730	0.3
507.91901	0.2
556.29706	0.6
616.12640	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.1
60.11367	1.5
61.98830	100.0
66.00442	1.4
70.55083	3.4
74.47112	1.2
75.15593	1.4
77.90356	1.3
78.95933	1.3
93.67180	1.4
152.99577	1.7
170.51492	1.4
172.94449	1.4
199.13274	2.3
225.11278	3.9
317.15997	9.6
553.37701	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	616.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43396	0.4
61.98829	100.0
63.14211	0.5
65.90054	0.4
83.28949	0.5
98.19844	1.0
120.02943	0.5
179.10722	0.7
197.11836	1.7
228.19891	0.5
229.52171	0.5
255.23322	1.7
296.55078	0.5
430.67819	0.5
553.37500	6.3
554.37799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
59.01381	100.0
67.16041	0.8
68.20909	0.9
69.57777	2.2
69.58175	5.0
71.01379	6.7
73.02948	4.2
78.95926	2.6
83.01398	1.9
85.02954	5.9
89.02451	2.0
94.80807	1.0
95.01358	1.4
96.96021	7.6
96.96970	4.4
99.00906	1.3
101.02440	10.3
113.02441	3.8
125.02419	1.1
136.09528	1.1
137.02446	2.4
161.04558	4.0
162.12492	0.9
163.00340	1.5
191.05672	1.4
198.41830	1.0
216.86685	0.9
221.10318	25.5
243.12277	2.2
255.02951	1.1
263.11371	12.8
269.04556	1.1
289.07181	2.7
374.56284	1.1
639.11957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15843	1.5
57.03427	2.8
59.01369	2.5
61.98817	6.9
67.38813	1.6
71.54920	2.2
81.03403	2.0
83.01388	2.8
89.02408	1.5
90.91351	1.5
93.03466	3.1
95.05019	2.2
96.95959	2.1
97.02947	5.8
109.02940	24.6
119.05023	33.3
121.02926	4.0
123.04517	13.8
125.02446	19.1
135.04550	2.6
137.02438	10.9
139.03967	3.0
145.02948	2.9
149.02486	2.3
150.03230	1.5
151.04024	8.2
156.23210	1.7
159.04489	2.4
160.05252	2.2
161.02443	1.7
161.06013	4.6
163.04001	30.2
164.01178	4.6
165.01907	4.4
175.03960	3.9
175.74983	1.4
179.03453	6.0
185.06171	1.6
187.03949	6.2
188.04736	4.4
189.61053	1.7
191.05589	3.8
192.84726	1.7
193.04994	1.8
203.07034	13.0
205.05115	8.3
221.08199	3.9
227.07138	2.5
245.08244	19.3
246.08623	1.9
289.07169	100.0
290.07419	4.2
325.09314	3.6
336.93246	1.7
369.89713	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	615.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.4
55.33263	1.1
57.03445	2.4
59.01371	7.7
61.98826	2.6
71.01381	49.0
73.02950	15.5
75.00874	1.4
81.03419	1.2
83.01392	5.7
85.02951	23.6
86.71530	1.1
89.02447	2.8
93.03450	4.6
95.01397	3.2
96.96017	1.7
99.00893	5.7
101.02441	26.0
106.04238	4.3
107.05031	87.4
108.02161	4.2
108.05359	2.3
113.02445	20.1
119.04995	2.1
121.02967	2.7
124.01670	15.7
125.02476	1.5
132.98854	0.9
137.02457	8.8
139.04010	45.5
143.03511	2.8
151.04004	100.0
152.04338	2.6
159.03015	7.6
161.04552	46.3
163.03966	1.4
179.03499	1.4
191.05577	1.9
205.03563	2.3
222.45161	1.2
241.45851	1.2
284.76346	1.3
289.07202	1.2
301.09320	2.2
302.85199	1.2
313.09271	29.0
314.09512	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	615.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09544	0.5
57.03448	0.5
59.01382	100.0
60.01709	0.6
62.18003	0.6
68.81133	0.5
69.42375	3.8
71.01385	7.1
72.99309	0.7
73.02944	4.1
83.01397	1.8
85.02962	3.9
89.02451	1.2
96.96037	0.7
99.00908	1.6
101.02441	9.2
113.02438	4.6
125.02483	1.0
136.77574	0.5
145.36417	0.6
159.03058	1.1
161.04590	4.2
163.00386	0.7
221.10300	27.2
222.10568	1.3
263.11359	11.3
351.40094	0.6
399.87991	0.6
585.23456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98811	0.6
67.01881	1.0
70.88209	1.4
71.01385	1.2
77.03962	2.7
83.05024	1.2
85.02945	3.9
87.00887	1.4
87.97792	0.6
89.03970	1.1
93.03461	7.1
95.05028	5.1
97.35960	0.6
105.03466	16.3
109.02917	1.4
111.04498	4.2
116.73020	0.8
118.85208	0.8
121.02962	1.1
123.04525	1.3
124.57310	0.6
127.04006	0.9
133.02962	100.0
134.03818	8.0
135.04573	4.0
137.02431	5.4
139.04008	2.2
150.03265	0.9
151.04010	0.9
155.03522	5.5
173.04556	18.9
173.06042	0.9
177.01930	52.2
178.02715	18.0
179.03517	3.3
191.05611	32.8
192.04326	0.7
192.05919	1.3
211.03970	2.0
215.05534	1.1
251.07124	0.9
275.83527	0.7
283.29050	0.7
351.07144	4.8
396.21811	3.0
422.19772	2.9
440.20749	46.7
441.21140	5.0
614.26105	23.6
614.36298	1.2
615.26056	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	614.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84036	0.5
59.01382	0.7
60.82297	0.4
61.98830	100.0
69.03471	0.5
70.60158	1.1
84.53743	0.4
86.44128	0.4
104.19897	0.3
116.17267	0.4
142.68584	0.4
179.10744	0.8
197.11832	3.2
241.10748	0.9
253.21780	0.6
270.11508	0.4
315.14493	6.4
339.89224	0.4
362.00491	0.5
400.24344	0.4
461.89380	0.4
551.35754	3.8
552.37640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66263	1.5
55.93591	1.7
57.03466	3.3
59.01108	2.7
59.01379	33.8
60.99319	2.3
61.98827	10.9
67.01877	5.0
69.03461	2.2
71.01377	8.5
72.08770	1.4
73.02942	2.6
80.14213	1.5
81.03473	3.1
83.01396	1.8
84.93353	1.6
85.02946	14.3
87.00873	6.5
88.98805	3.6
89.02440	2.8
93.03461	35.8
96.96007	16.9
101.02434	3.2
109.02973	1.7
111.00862	3.5
111.04519	6.8
113.02414	3.6
117.03419	2.6
119.04998	2.0
125.02451	4.3
125.93204	1.5
127.04053	2.5
129.01898	3.4
133.02963	3.9
134.03743	24.6
135.04529	52.9
136.04865	1.8
137.02452	14.8
141.48087	1.5
149.06047	3.4
151.04016	2.3
152.01155	1.8
155.03484	10.1
160.01642	5.2
161.02446	15.8
165.01944	1.8
165.05305	1.5
173.04541	92.9
174.04845	3.6
175.04025	4.8
179.03487	38.9
180.91576	1.5
191.05606	100.0
192.05896	3.7
193.05057	20.4
203.07286	1.9
207.10551	1.6
215.05542	3.0
223.99272	1.8
233.06647	82.6
234.06963	2.1
235.28320	1.8
288.66196	1.6
291.12451	4.9
311.05630	1.7
349.09189	6.1
353.08774	34.6
358.46649	1.5
367.10287	31.8
368.10587	2.7
395.09821	53.3
395.15012	2.5
396.10220	3.7
409.11426	19.9
410.11469	2.9
456.68323	1.7
529.13806	4.4
579.20892	2.9
579.30243	5.9
615.21423	4.7
615.30005	5.5
621.21228	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	614.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.01379	1.8
60.99308	4.2
65.03960	0.5
67.01892	16.3
69.03458	4.2
71.01390	6.0
71.31220	0.8
72.20271	0.5
72.63356	0.4
77.03989	0.9
77.92362	0.4
81.03471	2.9
83.05025	2.9
85.02962	1.1
87.00880	13.7
87.36050	0.5
93.03461	100.0
94.03784	2.1
95.05038	1.5
99.00882	1.3
99.04518	0.9
101.02495	0.6
105.02787	0.8
105.03448	5.8
109.02951	3.4
111.00880	0.7
111.04528	11.5
113.02476	1.2
115.04013	0.7
121.02974	0.6
123.04470	0.6
127.03999	0.7
129.01909	1.2
133.02962	33.9
134.03828	3.0
135.04535	5.8
137.02455	4.4
143.03517	0.5
151.04030	0.5
155.03510	5.7
161.02448	0.5
173.04549	96.2
174.04884	2.6
177.01935	14.7
178.02721	5.8
179.03513	2.9
191.05595	6.2
215.05609	7.4
274.44659	0.5
307.08368	0.5
351.07202	26.8
352.07565	1.7
440.20798	10.7
441.21164	1.2
614.26038	63.7
615.26392	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	614.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75703	0.1
51.94093	0.1
57.03454	1.0
59.01377	1.2
60.99309	1.4
61.98826	0.9
65.03955	0.3
67.01894	7.4
69.03458	1.9
71.01382	3.3
71.04997	0.2
72.99313	0.2
73.54289	0.1
81.03461	1.7
83.01385	0.2
83.05025	1.3
85.02945	0.6
87.00877	4.0
93.03460	44.4
94.03786	1.0
95.05024	0.3
96.02128	0.2
99.00883	0.5
99.04535	0.5
105.03477	1.4
106.04227	0.2
109.02948	1.1
109.85799	0.1
111.00898	1.1
111.04523	6.8
113.02463	0.4
115.04025	0.2
121.02985	0.3
123.04574	0.2
127.04021	0.3
129.01927	0.4
133.02957	7.3
134.03754	4.7
135.04558	1.6
137.02449	6.0
137.03525	0.2
138.02756	0.1
139.04019	0.8
143.03473	0.2
150.03210	0.3
155.03500	4.6
156.03845	0.2
173.04547	100.0
174.04880	2.3
177.01913	1.3
178.02713	9.7
179.03377	1.1
191.05690	0.7
215.05585	0.4
351.07263	1.0
361.36575	0.1
396.21295	0.2
440.20746	7.4
441.21246	0.8
516.07275	0.1
545.91376	0.1
614.26044	20.6
615.26392	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	614.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
59.01378	1.6
60.99308	4.8
61.52381	0.5
65.03953	0.8
67.01891	14.8
69.03460	4.1
70.87656	1.3
71.01386	4.7
81.03461	2.8
83.05027	2.7
85.02964	0.9
87.00877	15.9
93.03461	100.0
94.03803	1.9
95.04986	0.5
99.00880	1.8
99.04520	1.7
102.34772	0.4
105.03481	2.3
109.02963	2.5
111.00982	0.5
111.04520	13.3
113.02467	0.8
115.04013	0.5
121.02925	0.6
129.01917	1.5
133.02972	12.5
134.03825	3.2
135.04536	3.3
137.02438	3.0
138.26390	0.4
143.03537	0.8
155.03516	4.5
173.04546	63.2
174.04875	1.5
177.01920	4.6
178.02705	6.5
179.03455	2.4
184.95819	0.5
191.05626	4.7
215.05621	3.8
307.08252	0.6
351.07217	11.4
404.79428	0.5
440.20856	6.6
614.26044	85.4
615.26398	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	614.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
58.02968	0.3
59.01385	1.5
60.99303	0.5
61.98821	2.2
65.03964	0.6
67.01889	1.9
68.39425	0.3
69.03473	0.9
69.51637	1.0
69.52042	0.7
69.86266	0.3
71.01374	2.4
72.04546	0.6
73.02947	0.7
81.03446	1.4
83.01376	0.3
83.05033	2.3
85.02947	4.3
85.36662	0.3
87.00861	2.8
93.03455	17.3
95.05022	1.1
96.47133	0.3
96.96023	0.9
98.02474	0.3
98.06118	0.6
99.00892	0.4
101.02465	0.3
105.03476	1.2
107.05026	0.4
107.08727	0.6
108.02184	0.3
109.02946	2.1
111.04514	7.1
114.05630	1.8
119.05019	0.8
119.08668	6.7
121.02952	0.4
121.06632	0.5
122.03792	0.3
123.04532	0.8
127.03118	0.2
127.04016	1.5
129.01938	0.9
130.08705	0.6
131.05037	0.5
133.02956	9.6
133.06596	1.2
134.03743	0.6
135.04509	2.9
137.02446	1.9
140.07176	0.7
145.02969	1.3
145.06622	1.4
145.10193	0.6
146.03740	1.1
147.04543	1.3
147.08133	0.5
149.06107	0.5
150.03270	0.4
151.04044	0.3
155.03491	7.5
155.08629	0.3
156.10286	4.3
158.03694	1.4
159.04507	18.1
160.05319	3.0
161.02463	0.6
161.06070	3.2
163.07603	0.6
171.04468	0.5
171.08223	0.3
172.05321	2.4
173.04546	27.3
173.06064	11.4
174.04866	0.7
174.06844	0.6
175.04076	0.3
175.07649	0.5
177.01923	4.0
179.03482	0.9
184.05251	0.5
185.06064	4.2
185.64560	0.3
186.06842	3.0
187.07607	1.3
191.05606	31.8
192.05911	1.5
196.05292	1.0
197.06062	2.8
198.06824	1.2
199.07632	4.1
200.08412	0.5
201.09143	1.3
203.03401	0.4
204.04195	0.4
205.04987	0.6
209.06055	3.9
210.06776	1.5
211.03961	0.3
211.07625	8.7
212.08385	1.8
213.09135	1.8
214.09770	0.5
215.05591	2.5
217.05121	0.5
221.09714	1.5
221.11580	0.3
223.07677	2.2
224.08377	1.1
225.09198	19.4
226.09790	1.6
227.10844	0.6
235.07764	0.5
237.09256	1.6
238.09961	0.8
239.10753	6.4
240.11537	2.6
243.06717	0.4
249.09175	0.4
251.10751	1.8
263.10782	0.6
263.14423	1.1
265.12347	2.7
266.12985	0.5
279.13812	0.6
281.15457	4.0
305.11737	0.3
307.08115	0.5
307.13364	8.8
307.25131	0.3
308.13791	0.5
325.14389	0.5
338.07074	0.3
338.17554	0.4
351.07211	8.5
351.11932	0.5
352.07538	0.7
370.20248	2.4
378.20724	1.3
380.18509	0.5
381.19324	1.1
396.21756	31.2
397.22156	2.6
422.19736	2.7
423.19687	0.4
426.01837	0.4
431.45767	0.3
440.20734	100.0
441.15054	0.6
441.21085	10.5
446.20435	0.3
577.74750	0.3
614.26019	38.8
615.26221	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	614.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22636	0.2
57.03442	0.5
59.01374	1.3
60.99291	0.8
65.03951	0.2
66.42090	0.2
67.01890	2.8
69.03445	0.9
70.97772	0.3
71.01371	1.3
73.02960	0.6
81.03465	0.9
83.05038	0.8
85.02493	0.1
85.02943	9.6
87.00871	3.9
93.03452	18.2
94.03813	0.3
99.00861	0.4
99.04528	0.7
109.02918	0.8
111.04506	3.0
113.02449	0.3
114.05633	0.2
119.08677	0.2
127.04003	1.8
129.01913	0.4
133.02922	0.4
137.02452	0.4
143.03497	0.3
155.03473	0.8
156.10275	0.2
158.03719	0.3
159.04491	1.1
161.06046	0.2
171.02977	0.4
172.05319	0.2
173.04564	8.3
173.06030	1.0
177.01775	0.2
185.06042	0.2
191.05605	100.0
192.05957	3.1
199.07603	0.5
209.06203	0.2
211.07463	0.3
224.08405	0.2
225.05655	0.4
225.09224	0.7
239.10719	0.4
251.07053	0.2
251.10963	0.3
265.08694	0.3
307.13385	0.9
351.07236	0.6
396.21774	1.6
397.37436	0.2
422.19705	6.1
423.19977	0.5
440.20645	3.4
441.14697	0.2
441.21030	0.4
614.25964	22.0
615.26343	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	614.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
58.71657	0.3
59.01374	1.8
60.99301	0.7
61.98825	3.8
65.03989	0.4
67.01887	2.7
69.03449	0.8
70.28871	1.1
71.01378	1.6
73.02943	0.6
81.03484	0.6
83.05030	1.3
85.02953	10.2
85.03471	0.6
87.00875	5.4
93.03460	19.2
94.03772	0.5
99.04513	0.7
107.26553	0.4
109.02954	1.3
111.04510	3.5
114.05605	0.5
119.08664	1.0
127.04016	2.6
129.01935	0.4
133.02939	1.2
135.04533	0.7
137.02422	0.5
146.03738	0.7
155.03519	1.4
159.04509	5.2
160.05107	0.4
161.05971	0.4
171.02998	0.5
172.05305	0.5
173.03133	0.6
173.04565	10.1
173.06021	1.4
174.28996	0.3
177.01892	0.6
185.06067	1.1
186.06776	0.4
187.07602	0.3
191.05609	100.0
192.05951	3.1
197.06055	0.6
199.07632	1.0
201.09067	0.5
209.06070	0.7
211.03882	0.4
211.07640	1.7
213.09271	0.7
219.07198	0.3
220.08852	0.3
223.07657	0.8
224.08485	0.4
225.05743	0.4
225.09213	3.0
226.09929	0.5
227.10841	0.6
239.10733	0.8
251.10886	0.5
252.07814	0.4
263.14432	0.5
265.12302	1.3
279.13803	0.4
281.15506	1.4
307.13345	2.9
325.14511	0.5
351.07153	0.9
396.21790	5.3
397.22220	0.5
422.13977	0.5
422.19690	8.1
423.19989	1.1
424.07663	0.3
440.20764	19.8
441.20975	2.4
454.65054	0.5
466.62939	0.4
522.65314	0.4
551.16785	1.2
614.26050	30.2
615.26288	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	613.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.35082	1.8
85.01717	0.9
107.10901	1.0
144.75113	0.9
216.83569	1.0
227.86116	1.0
249.14426	1.0
347.86719	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18570	0.3
57.03458	0.6
59.01383	1.2
60.99300	0.9
67.01892	2.7
69.03464	1.4
69.55357	2.0
71.01399	1.6
81.03460	0.8
81.95815	0.4
83.05056	0.3
85.02954	9.5
85.03465	0.5
87.00886	5.1
93.03471	19.1
94.03823	0.4
98.19955	0.6
99.04544	0.3
109.02951	1.0
111.04521	2.7
119.08681	0.5
127.04027	1.9
129.01979	0.4
133.02942	0.6
137.02512	0.3
138.25859	0.4
141.16248	0.3
155.03554	0.6
156.10298	0.3
159.04536	2.2
161.06166	0.3
171.03026	0.6
173.04575	6.5
173.06065	1.3
177.02011	0.3
185.06107	0.5
186.06789	0.3
191.05620	100.0
192.05959	3.2
201.09221	0.4
211.07817	0.4
225.05695	0.5
225.09219	0.6
237.09291	0.3
239.10925	0.4
262.91818	0.3
281.15393	0.4
307.13541	2.4
396.21719	1.8
416.32483	0.3
422.19775	11.9
423.20078	1.2
440.20816	5.3
441.21051	0.5
470.37979	0.3
516.62878	0.3
543.98157	0.3
614.26062	27.2
615.26520	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	612.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54474	0.2
59.01373	0.8
61.98831	100.0
71.01394	0.5
71.54805	0.3
85.02985	0.4
87.00890	0.2
88.98821	0.4
93.03496	0.5
93.81049	0.2
96.96001	0.5
101.02415	0.3
109.02981	0.3
111.04514	0.3
133.01500	0.3
135.04587	0.3
137.02448	0.4
163.03999	0.2
173.04614	0.5
178.02806	0.2
191.05600	1.4
192.77014	0.2
281.04816	0.2
283.06140	0.3
294.56290	0.2
324.06628	0.2
328.05963	0.3
374.12491	0.3
375.13419	0.3
387.14212	0.3
388.14914	0.2
389.15213	0.3
390.15732	0.2
438.19260	0.2
503.10132	0.6
507.34610	0.4
568.18713	0.7
612.17365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59346	0.2
58.31432	0.2
59.01386	0.5
61.98829	100.0
64.39119	0.2
71.01382	0.3
71.55369	0.3
75.00910	0.3
78.85426	0.1
84.07278	0.2
87.41267	0.2
93.03493	0.3
135.80557	0.2
173.04724	0.2
179.03577	0.2
191.05638	0.7
200.34596	0.2
283.06277	0.2
296.07053	0.2
323.05865	0.3
328.05920	0.3
404.32983	0.2
454.03333	0.2
568.18213	0.3
577.16388	0.3
612.17145	0.8
613.16327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.6
56.15304	0.6
57.03440	1.4
58.00576	0.7
59.01379	24.4
61.98812	1.9
62.45474	0.5
70.42558	0.9
71.01380	24.2
72.99298	0.6
73.02945	9.1
73.20202	0.6
75.00883	0.8
83.01388	4.7
84.32682	0.6
85.02952	12.9
87.00864	1.4
88.08532	0.6
89.02444	4.6
95.01374	2.4
96.96036	0.7
99.00880	3.4
101.02441	18.5
101.03104	1.2
111.00881	0.8
113.02449	10.1
119.03511	1.0
121.02925	1.3
125.02422	1.5
135.04483	0.6
143.03462	0.9
154.66417	0.5
156.66628	0.5
159.02948	2.2
161.04565	5.9
191.05608	1.1
209.04485	0.7
242.88623	0.6
289.07413	0.7
371.33771	0.7
391.23315	6.0
441.95419	0.7
504.22217	0.7
553.28644	100.0
554.28851	9.9
594.46289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33066	0.1
57.60231	0.1
59.01381	0.8
61.98832	100.0
62.98547	0.2
63.60604	0.1
67.86530	0.1
69.22402	1.0
71.01398	0.3
76.41589	0.1
85.02963	0.5
89.02457	0.4
89.17146	0.1
101.02417	0.2
109.03037	0.1
121.03002	0.2
129.01958	0.1
137.09373	0.1
138.03262	0.1
160.01715	0.2
175.04002	0.3
231.06648	0.5
257.04779	0.1
261.19427	0.1
613.15094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54474	0.2
59.01373	0.8
61.98831	100.0
71.01394	0.5
71.54805	0.3
85.02985	0.4
87.00890	0.2
88.98821	0.4
93.03496	0.5
93.81049	0.2
96.96001	0.5
101.02415	0.3
109.02981	0.3
111.04514	0.3
133.01500	0.3
135.04587	0.3
137.02448	0.4
163.03999	0.2
173.04614	0.5
178.02806	0.2
191.05600	1.4
192.77014	0.2
281.04816	0.2
283.06140	0.3
294.56290	0.2
324.06628	0.2
328.05963	0.3
374.12491	0.3
375.13419	0.3
387.14212	0.3
388.14914	0.2
389.15213	0.3
390.15732	0.2
438.19260	0.2
503.10132	0.6
507.34610	0.4
568.18713	0.7
612.17365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39935	0.3
59.01379	12.2
61.98824	1.8
71.01368	1.8
71.54585	0.5
72.99303	0.4
84.21604	0.3
85.02963	0.5
88.98830	0.5
89.02464	1.6
93.03432	0.5
101.02434	0.7
108.02153	0.4
109.02941	0.3
110.33236	0.3
113.02458	0.6
119.03493	0.6
135.04539	1.3
145.02956	1.2
146.03729	42.5
147.04301	1.2
161.06065	15.0
162.06348	0.3
163.04033	1.0
164.04787	31.1
165.05139	1.2
167.03500	0.8
179.07127	100.0
180.07462	3.6
191.05603	0.7
215.07658	0.3
300.02808	1.2
301.03311	0.7
302.03394	0.7
308.53619	0.3
309.07816	0.4
337.07220	1.1
367.07993	0.4
371.13196	0.4
387.14731	0.5
403.98337	0.3
457.11017	0.9
461.18137	0.6
505.09760	0.5
611.15277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20638	0.3
59.01376	14.1
61.98836	2.4
71.01369	2.7
71.55016	0.6
72.99317	0.4
79.96230	0.3
85.02932	1.1
88.98803	0.8
89.02441	2.6
93.03436	0.7
96.97617	0.4
101.02438	1.6
113.02435	0.9
115.14707	0.4
119.03516	1.1
135.04518	1.3
140.59335	0.4
145.02972	1.2
145.28780	0.4
146.03729	43.7
147.04274	1.6
149.36211	0.4
153.13933	0.5
156.46136	0.4
160.32704	0.4
161.02397	0.5
161.04626	0.9
161.06068	13.0
163.03952	0.8
164.04790	28.5
165.05133	1.1
179.07126	100.0
180.07460	3.4
191.05679	2.4
193.68335	0.4
271.02560	0.6
300.02765	1.3
301.03394	0.9
302.03336	0.7
309.07632	0.6
337.07083	1.0
353.13785	0.5
367.08276	0.5
449.14807	0.6
457.11151	1.0
508.70853	0.5
611.14063	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	612.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44085	0.3
58.03382	0.4
59.01379	8.1
61.98828	100.0
69.17714	2.3
69.18141	1.5
70.11073	0.3
71.01381	4.4
83.01384	0.4
85.02951	1.4
87.00868	0.4
88.98823	0.4
89.02438	3.7
95.01369	0.6
101.02444	1.9
111.00888	0.5
113.02463	1.2
118.19115	0.4
119.03511	1.2
121.02969	0.4
123.00878	0.4
124.01656	3.0
125.02483	0.6
137.02405	0.6
139.04002	2.0
148.05344	0.7
151.00398	0.8
151.04018	0.6
152.01120	0.8
161.02414	1.1
166.02669	0.6
175.04016	1.7
176.04822	1.8
177.01915	0.5
187.03987	0.4
191.03497	1.0
191.05659	0.6
203.03540	0.9
204.04274	7.2
205.04919	1.2
219.03177	0.5
219.06602	6.6
284.03247	0.5
285.03818	0.6
354.07333	2.6
355.08096	0.7
369.09747	7.2
370.10257	0.5
373.09106	0.8
383.10529	0.4
423.20694	0.4
423.30789	0.4
534.13641	3.2
549.16144	54.9
550.16492	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	611.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01379	100.0
60.01694	0.5
68.91539	0.4
69.34866	3.8
71.01383	8.1
71.02021	0.4
73.02948	3.7
75.00885	0.5
81.03442	0.6
83.01398	1.6
85.02948	4.7
87.00811	0.5
89.02483	0.9
95.01432	0.5
95.04991	0.7
97.02946	0.8
99.00910	1.4
101.02444	10.2
108.59716	0.4
109.02943	2.3
113.02453	4.8
123.04522	2.3
125.02468	1.7
134.20552	0.4
137.02470	1.7
143.03481	0.7
149.02452	0.5
151.04025	1.0
159.03000	1.3
161.04575	3.5
161.05907	0.7
162.03316	0.4
171.13824	0.4
179.03534	0.7
192.82404	0.5
203.07179	1.2
205.05110	1.0
212.54950	0.4
235.11856	22.9
236.12103	0.8
245.08176	2.0
277.12897	11.7
289.07178	10.9
290.07672	0.6
302.66171	0.5
597.36823	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98322	1.9
59.01377	8.2
61.98515	1.8
61.98819	8.4
68.45609	1.8
70.91773	2.5
70.92115	3.0
71.01377	3.0
73.02971	3.3
85.02950	6.1
93.03465	3.7
95.01340	2.6
95.05034	2.0
101.02429	2.1
105.03448	3.8
107.05005	2.7
108.02164	3.3
109.02939	5.7
110.14380	1.8
121.02931	5.5
123.00906	3.1
123.04509	4.9
124.01692	3.1
125.02403	5.2
133.03024	2.3
135.04478	2.4
137.02411	8.8
138.03223	7.7
139.00270	3.0
139.04041	3.3
148.01625	3.9
149.02414	11.5
150.03265	2.7
151.00391	12.8
151.04071	12.0
152.01131	8.4
153.01904	2.6
153.05569	4.0
159.00861	3.8
160.01643	8.1
161.02441	33.9
163.04042	4.3
164.04778	8.7
165.01921	2.1
165.05583	2.2
166.02716	29.6
167.03526	11.0
173.04488	2.2
175.03922	3.4
176.01146	25.6
176.04778	19.9
177.01945	10.5
177.05486	4.1
179.03513	51.7
179.07042	10.0
180.03815	2.5
181.05095	17.7
190.02553	2.2
191.03487	26.3
191.05510	4.0
191.07129	11.0
192.04233	5.3
193.05038	6.8
194.02238	5.4
194.05844	43.7
203.03473	2.0
207.06624	10.1
209.02716	3.5
209.04587	37.0
209.08186	100.0
210.08427	4.1
217.55605	1.9
223.06119	3.0
235.06044	7.5
271.02869	2.3
285.04013	6.3
371.11386	10.1
387.10843	8.6
388.11383	7.7
401.12384	63.6
402.12979	11.7
403.13815	8.7
434.36981	2.2
593.20123	3.0
611.37958	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	611.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
70.40735	0.5
70.41081	1.6
71.01366	1.3
73.02962	0.5
81.03461	1.5
83.01379	1.6
85.02944	4.7
85.54971	0.5
87.00875	1.0
87.86163	0.5
93.03450	2.8
95.04990	0.6
97.02974	0.9
99.04537	0.8
109.03019	0.6
111.04512	1.2
113.02456	0.6
123.04518	2.4
125.02441	3.3
127.04028	1.0
135.04550	0.9
137.02472	1.5
148.48245	0.5
149.02379	0.7
149.04527	0.6
151.03966	0.7
158.34695	0.4
161.02423	1.5
163.03978	0.8
167.03447	4.4
171.02995	0.5
173.04562	0.8
179.03481	1.9
187.69099	0.4
191.05606	100.0
192.05916	2.5
194.11623	0.4
197.04510	1.1
209.04558	8.6
224.02684	0.5
224.04990	0.5
239.05583	6.1
251.05437	0.7
269.06671	2.8
329.08722	2.2
353.08783	16.4
354.09204	0.6
359.09879	0.9
371.07675	3.9
401.08682	3.0
449.12823	0.8
461.11105	0.6
465.08340	0.5
491.11969	2.1
551.26801	0.7
611.15509	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.4
59.01376	5.9
62.93660	0.7
69.69707	4.4
71.01379	3.1
73.02949	2.7
77.03960	0.9
81.03472	1.9
83.01386	1.8
85.02962	4.9
87.00886	1.6
89.02442	2.1
93.03476	1.8
95.05018	1.5
97.02940	0.9
99.04529	1.8
101.02456	4.3
102.63039	0.7
108.02190	1.0
108.03825	0.8
109.02322	0.7
109.02933	4.3
115.04025	1.1
121.02951	3.3
123.04509	1.6
125.02450	22.4
127.04015	1.8
127.88407	0.8
131.03520	1.8
137.02446	8.7
138.03207	3.1
143.03468	1.9
148.01563	1.1
149.02444	34.1
155.04994	0.7
161.02408	5.7
163.00412	1.7
163.06128	3.4
164.01170	8.2
165.01958	4.4
166.02719	12.0
167.03531	10.8
171.04514	2.2
174.03267	2.3
175.03996	14.9
176.01247	4.1
176.04356	1.0
177.01936	2.6
179.03523	1.3
185.06071	1.3
191.05618	53.0
192.00647	6.3
192.05969	1.9
193.01427	2.7
197.06189	1.1
198.03232	3.0
199.04012	18.6
201.01926	4.7
205.07124	2.1
211.03928	0.8
213.05574	4.1
215.03523	2.1
217.05042	15.6
218.05324	0.8
219.02963	0.8
223.04121	0.9
226.02713	2.0
241.05064	31.2
242.02209	2.1
242.05299	2.1
243.02950	5.6
257.04526	1.7
267.02914	1.1
285.04044	100.0
286.04391	4.8
353.08762	8.1
475.14615	27.9
476.14862	1.8
485.12698	6.1
501.12512	6.9
502.12415	1.0
562.61957	0.9
611.16101	29.5
612.16321	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	611.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.3
61.98813	2.2
70.64587	1.3
71.01380	1.2
73.02942	0.7
76.68938	0.5
79.05525	3.8
81.03465	2.8
85.02937	1.4
87.00886	0.6
93.03448	4.4
96.95977	0.6
101.02428	0.9
105.03469	3.6
107.04988	0.7
113.02435	0.8
117.03465	8.2
119.05009	5.5
122.03699	1.3
123.04526	40.4
124.04823	1.0
135.04520	56.8
136.04843	1.5
137.16040	0.5
145.02956	42.6
145.19225	0.6
146.03300	1.1
149.01288	1.0
149.02440	16.1
149.06046	1.0
159.04532	0.5
161.02455	0.7
161.06062	1.2
163.03984	7.0
165.05469	0.7
166.02660	0.5
167.02162	0.8
167.03490	9.9
175.03967	1.2
177.05591	0.9
179.03482	19.8
180.03842	0.8
187.04079	0.9
188.88646	0.5
191.03442	0.8
205.05046	1.0
209.04523	0.7
223.05913	0.6
239.07086	4.6
241.08658	3.0
259.09698	0.9
263.27188	0.5
281.08282	4.4
285.07626	8.8
286.07913	0.8
307.08289	5.1
363.85510	0.5
431.13458	0.8
443.13544	0.7
475.12418	21.3
476.12766	1.7
487.12390	4.8
490.34924	0.7
591.50189	0.7
611.17657	100.0
612.17957	11.4
633.38342	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51501	0.6
52.33912	0.7
59.01380	11.5
61.98833	2.4
67.01887	1.4
71.01391	5.9
71.54823	1.0
72.99307	3.4
85.02948	1.4
89.02473	3.3
91.01909	2.5
95.01391	0.9
97.77440	0.7
101.02429	2.4
107.01401	2.5
108.02173	2.1
109.02945	2.2
111.00880	1.3
113.02435	1.6
115.04137	0.8
117.03487	1.3
119.05051	4.3
121.02955	6.5
123.00893	2.3
123.04522	17.7
125.02451	3.3
133.02972	1.6
137.02463	1.9
137.06090	2.0
149.02411	4.7
150.03194	0.7
151.00378	3.5
151.03995	1.3
151.28363	0.8
152.01176	4.1
153.01923	5.5
163.03879	0.9
165.01892	0.9
165.35460	0.9
166.02733	2.5
167.03494	49.1
168.03867	1.2
181.05080	1.8
189.05534	2.0
190.06343	1.3
191.05591	2.4
195.03038	5.7
205.08656	1.1
209.04539	16.1
209.06371	1.4
239.05609	1.3
255.05135	6.3
269.06650	3.1
329.08847	2.1
371.15039	3.2
389.16132	2.5
449.14529	100.0
450.14755	7.8
491.12042	0.9
611.18164	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	611.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56688	0.5
54.09072	0.6
55.99221	0.5
57.03448	3.4
59.01386	5.2
65.00356	0.7
70.28890	1.6
70.29276	1.1
71.01382	3.8
73.02953	2.8
80.37460	0.5
81.03461	2.2
85.02944	2.9
85.98504	0.6
87.00894	1.1
89.02438	1.9
95.05036	0.9
97.02962	1.0
98.19914	0.6
99.04525	2.3
101.02441	3.9
103.04000	1.3
104.37737	0.6
105.03474	1.1
109.02943	3.9
115.03969	0.9
118.25587	0.6
118.45440	0.5
120.02197	0.8
121.02920	3.2
123.04511	1.5
125.02448	18.3
125.41260	0.6
131.03511	2.0
135.04527	0.8
137.02440	8.8
138.03203	2.7
139.03976	1.2
143.03482	2.2
143.05042	1.2
147.04485	0.7
149.02440	31.3
150.02817	1.0
155.04982	1.3
161.02431	4.2
163.00336	2.3
163.06091	3.5
164.01151	6.7
165.01932	4.3
166.02715	11.1
167.03499	8.8
169.06682	0.7
171.04515	2.1
174.03207	2.4
175.03989	15.2
176.01135	3.3
177.01912	1.8
179.03543	0.8
185.06052	1.5
191.03494	1.1
192.00659	6.9
193.01376	2.3
197.06091	1.9
198.03209	2.9
199.03999	16.5
201.01926	4.2
205.07193	2.0
209.04501	0.8
213.05551	3.2
215.03534	2.0
216.04138	0.9
217.05038	13.5
219.02951	1.3
223.03938	0.8
240.04283	0.8
241.05055	36.1
242.02200	2.0
242.05330	1.6
243.02988	5.8
257.04587	1.6
267.03064	0.9
285.04041	100.0
286.04471	5.6
303.05103	1.6
475.14578	29.1
476.14966	2.0
478.06644	0.7
485.12930	5.9
501.12552	6.3
502.12759	1.0
607.23438	0.7
611.16156	27.0
612.16473	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	611.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49080	0.6
50.55408	0.6
57.03441	2.9
59.01379	6.7
60.12520	0.7
61.98808	1.6
65.00318	0.9
66.08471	0.7
68.99844	0.6
69.55697	2.8
69.56097	1.6
71.01375	4.2
73.02940	3.9
78.89968	0.7
81.03459	5.0
83.01407	2.1
85.02946	5.8
87.00883	2.9
89.02449	2.5
93.03474	1.3
95.05009	1.3
96.96008	0.8
97.02956	2.0
99.04528	2.8
101.02441	5.6
103.04009	1.2
105.03468	1.3
107.01413	1.4
108.02218	1.4
109.02952	10.8
113.02450	1.8
115.04021	1.2
121.02930	6.0
123.04523	3.1
123.66621	0.6
125.02448	22.1
131.03482	2.0
133.02936	1.4
135.04485	1.2
136.83194	0.6
137.02434	12.3
138.03255	5.2
139.04060	0.9
143.03510	3.1
143.05075	1.2
147.04619	0.8
149.02443	43.4
149.04488	2.2
150.02835	1.6
151.04012	0.8
161.02443	3.8
161.04562	0.7
163.00378	1.5
163.04019	0.8
163.06152	3.2
164.01175	7.6
165.01917	10.9
166.02711	16.1
166.91283	0.7
167.03496	21.3
168.03835	1.2
171.04518	2.3
174.03191	2.0
175.03989	13.6
176.01141	3.0
177.01892	2.5
179.03510	1.8
185.06082	1.4
187.04012	1.9
189.05566	1.9
191.01987	0.9
191.03511	1.3
192.00645	7.2
193.01395	4.4
197.06126	1.2
198.03241	2.6
199.03996	14.5
200.04335	0.8
201.01932	3.7
205.07161	2.0
207.62373	0.7
207.76990	0.8
213.05556	2.5
215.03574	1.5
216.04274	1.0
217.05034	12.5
219.02975	1.5
223.03954	1.1
241.05075	24.3
242.02238	1.8
242.05348	1.3
243.02995	4.2
257.04562	2.2
259.06128	1.3
265.09250	0.8
267.03006	1.2
285.04044	100.0
286.04431	6.4
303.05051	8.8
304.05499	0.7
325.11340	1.0
339.07190	1.2
475.14545	40.6
476.14957	3.5
485.12994	8.1
501.12592	10.4
502.12378	0.8
567.17310	1.0
611.16113	47.1
612.16705	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	611.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.3
59.01376	6.7
59.28974	0.9
61.98822	5.2
64.70885	1.0
66.06545	0.9
69.57387	2.2
69.57790	4.3
71.01381	5.5
71.05008	1.4
72.99313	1.5
73.02940	1.5
81.03462	10.0
83.01392	3.2
85.02942	1.9
87.00849	0.9
89.02454	6.7
93.03466	8.0
95.01376	1.9
95.05012	6.8
97.02953	4.0
99.04524	7.5
100.40330	0.9
101.02438	3.2
105.03445	3.0
107.01402	2.6
109.02931	1.3
111.04531	1.8
111.90759	0.9
113.02444	2.7
117.02653	1.8
117.03461	28.0
119.03470	2.3
121.02953	27.5
123.00773	0.9
123.04520	10.0
125.02436	22.5
135.04492	2.4
137.02457	9.4
137.06038	0.9
138.03172	2.6
139.03995	5.3
147.04521	1.5
149.02437	100.0
149.04486	5.0
150.02823	3.1
151.04004	3.4
153.05553	1.5
159.04520	1.2
161.02399	6.3
163.03964	2.3
164.01166	1.6
165.01947	1.8
165.05530	2.0
166.02705	7.8
167.03487	65.0
168.03854	1.8
173.02415	2.4
175.00339	2.3
177.01909	1.3
179.03514	8.4
181.05023	1.3
191.03519	14.0
191.05412	1.7
192.00504	1.0
197.04550	8.7
199.03903	2.2
203.03462	1.3
206.02132	3.7
209.04536	34.9
210.04808	1.5
212.26480	1.0
217.01474	6.2
221.04472	2.3
235.02448	3.8
239.03394	1.3
239.05592	15.0
240.04156	2.0
243.02950	1.6
251.05586	2.9
255.06561	2.2
257.04718	1.5
258.05316	3.6
267.02887	1.3
269.06693	8.5
273.07706	3.4
299.05554	3.3
311.05273	8.3
312.05597	1.2
329.08929	60.5
330.09158	5.2
341.08621	1.8
353.06412	1.0
359.07208	0.9
371.07358	4.8
392.26956	1.0
397.07629	8.1
401.09009	5.8
431.09592	6.4
449.13037	29.4
450.13297	3.6
461.10837	9.9
462.11227	1.7
473.10944	2.8
491.11902	36.2
492.12173	3.4
503.11966	1.8
517.11877	2.9
521.12921	1.8
551.26770	3.2
611.15936	19.1
612.16473	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	610.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55376	0.2
57.03440	0.4
59.01377	6.8
60.01707	0.3
61.98829	100.0
66.78036	0.1
69.03476	0.2
69.29353	1.3
71.01376	2.3
72.20092	0.2
72.99315	0.2
73.02948	0.6
75.00908	0.1
81.01126	0.1
81.21682	0.1
83.01386	0.4
85.02959	1.2
87.00861	0.4
88.98826	0.2
89.02456	0.7
93.03484	0.5
95.01394	0.2
96.29626	0.1
99.00876	0.2
101.02436	1.1
108.02231	0.2
113.02441	1.2
119.03493	0.2
121.02961	0.3
123.04527	0.2
125.02446	0.3
132.04594	0.2
135.04453	0.2
143.03482	0.2
161.04584	0.4
161.05917	0.1
163.03998	0.2
165.01987	0.2
165.05597	0.2
173.04546	0.5
179.03482	0.2
187.13475	0.2
191.05611	1.5
196.78255	0.1
256.03516	0.1
271.90787	0.1
272.02780	0.2
276.31201	0.2
300.02676	0.3
301.03085	0.3
361.29712	0.8
362.30161	0.5
505.33768	3.8
506.34100	4.5
506.41440	0.3
523.34613	1.0
524.35297	1.0
565.35944	0.3
566.36523	0.4
610.15118	0.6
610.30280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	98.2
71.08888	100.0
82.46380	49.1
101.01257	58.4
101.33342	48.7
116.92834	55.6
150.64467	55.9
165.01703	49.1
339.91791	60.3
451.51263	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
59.01365	2.6
61.98831	3.8
61.99095	0.7
62.46595	0.7
68.99791	1.1
69.03444	2.4
69.71505	3.5
71.01379	3.8
73.02936	2.0
81.03450	14.4
83.01381	12.6
85.02951	1.6
88.42545	0.7
89.02426	1.3
93.03445	3.5
95.01389	5.0
95.05019	7.0
97.02944	9.2
99.04513	7.2
105.03426	0.9
107.01408	0.9
107.05055	1.8
109.02935	4.3
111.04517	4.2
113.02428	3.2
113.06017	0.9
117.03465	3.1
121.02925	4.6
121.06603	1.5
122.51855	0.6
123.04526	31.0
124.01672	1.0
125.02442	37.8
125.06059	1.6
126.02789	1.1
133.02922	0.8
135.04503	3.9
137.02446	12.7
137.06084	3.9
138.03201	2.1
139.04012	4.8
147.04504	2.7
149.02425	2.7
149.04585	1.0
149.06009	0.9
151.03986	5.8
153.05576	3.1
155.03500	2.0
161.02394	1.3
163.04013	2.1
165.01874	2.4
165.05527	4.1
166.02667	1.9
167.03493	52.5
168.03813	1.6
177.01950	0.8
177.05595	1.8
178.02650	1.0
179.03487	13.9
180.93028	0.8
181.05043	2.4
184.28331	0.8
191.03535	4.1
193.05019	1.9
197.04532	13.3
205.05180	0.8
207.02948	0.8
209.04539	100.0
210.04872	4.5
221.04607	4.2
233.04457	1.1
235.02444	1.0
239.05594	76.7
240.06046	3.7
251.05600	5.4
269.03693	1.4
269.06638	29.5
270.06970	1.7
273.07727	0.9
277.03589	1.8
281.06744	3.8
299.07700	1.4
311.07721	7.3
329.08801	19.2
330.09109	1.4
341.08710	6.2
359.09897	6.2
371.07681	48.1
372.08072	3.9
383.07666	2.3
401.08731	34.8
402.08951	2.5
413.08911	1.7
431.09735	10.0
449.12997	8.4
461.10733	2.0
473.10855	7.5
491.11932	23.3
492.12527	2.6
503.11838	4.0
521.12799	4.7
593.14996	2.1
611.16119	13.3
612.16296	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	610.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54121	0.2
57.03449	0.5
59.01377	8.3
59.28243	0.2
60.01701	0.4
61.98829	100.0
69.27041	1.8
71.01373	2.3
72.99323	0.3
73.02959	0.9
83.01408	0.5
83.05013	0.2
85.02939	1.3
87.00861	0.5
88.98817	0.4
89.02453	0.9
93.03461	0.6
95.01388	0.3
99.00881	0.4
101.02456	1.5
109.02978	0.2
111.04573	0.2
113.02422	1.1
125.02462	0.6
135.04535	0.5
137.02460	0.3
143.03481	0.5
161.04520	0.6
173.04572	0.7
176.01122	0.2
177.05557	0.2
189.02019	0.3
191.05588	1.9
271.02576	0.3
272.02872	0.4
286.49289	0.2
300.02893	0.4
301.03375	0.7
341.06696	0.7
361.29477	1.2
362.30392	0.3
387.09991	0.4
388.10065	0.3
505.33777	5.2
505.41016	0.3
506.34195	2.9
523.35077	1.4
524.35547	0.8
537.46851	0.3
565.36151	0.3
566.36823	0.4
610.15314	0.9
610.24988	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
60.01708	0.1
61.01809	0.2
61.98830	100.0
69.22144	0.3
69.22549	1.1
84.02137	0.1
112.89557	0.1
121.02918	0.1
157.93425	0.1
219.34370	0.1
226.04016	0.1
342.67422	0.2
386.13452	0.4
387.13541	0.6
388.13913	0.6
538.76727	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	609.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58595	0.4
54.43150	0.3
55.01875	0.4
55.79131	0.3
56.22002	0.4
57.03451	0.8
59.01380	100.0
60.01715	0.8
61.98830	12.3
69.64938	2.2
71.01385	6.6
72.99323	0.5
73.02955	1.5
83.01405	1.6
85.02946	4.1
87.00877	0.7
89.02451	0.7
91.76432	0.4
93.03466	1.5
95.01400	1.3
97.02968	0.7
99.00936	0.7
101.02461	2.6
113.02464	3.7
119.03527	0.6
124.01659	0.4
125.02420	0.9
143.03517	1.4
157.24768	0.3
161.04576	0.7
171.13916	1.3
173.04544	1.5
191.05620	3.5
233.89835	0.4
255.03059	0.6
271.02478	0.8
290.95831	0.4
299.25870	1.8
300.02689	1.2
301.03418	0.5
345.30051	5.1
346.30383	0.5
459.33160	0.8
489.34335	50.0
490.34579	5.3
505.33917	1.8
507.35413	8.8
507.42993	0.4
508.35690	0.6
523.34473	0.4
546.30127	1.8
549.36310	4.2
550.37073	0.7
609.14423	1.3
609.24146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57117	1.3
59.01407	1.5
61.60667	1.4
61.98865	1.7
62.74321	1.5
70.37360	5.7
100.08643	1.5
108.79471	1.3
137.15741	1.4
169.02193	1.5
169.75092	2.0
178.50267	1.8
179.16193	1.5
185.50394	1.4
190.16035	1.8
199.09731	3.3
265.34927	1.4
275.54578	1.5
279.23282	100.0
280.23596	6.8
437.23492	1.8
489.24957	2.0
587.43054	1.8
600.07880	1.8
609.14465	1.8
609.34302	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	609.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09148	0.6
53.63780	0.6
55.01880	2.8
57.03447	10.8
59.01382	34.6
61.98834	6.7
62.76119	0.5
68.76045	0.5
68.99847	0.6
69.03455	5.7
70.23010	2.1
71.01385	27.7
71.01781	1.4
71.05016	0.7
72.17320	0.6
72.99315	1.6
73.02956	7.2
75.00882	1.1
75.99423	0.5
81.99906	0.6
83.01389	4.3
83.05009	0.8
84.02176	1.6
85.02954	65.1
86.03285	1.1
87.00890	3.7
88.98803	1.8
89.02448	11.0
90.98603	9.2
91.01920	0.8
93.21653	0.5
95.01394	2.3
96.96008	0.9
97.02973	1.4
99.00877	2.4
101.02444	17.4
108.02177	2.0
109.02963	3.3
111.00880	5.3
111.08191	1.1
113.02463	10.9
113.06096	1.7
114.93467	0.6
119.01392	1.7
119.03497	4.8
121.02959	2.5
123.00857	1.0
123.04530	3.6
123.08162	1.6
125.02485	1.3
126.90349	0.6
127.07635	1.3
128.03558	0.6
129.01945	13.3
135.04527	0.9
135.11809	0.7
137.02473	3.6
137.06082	1.1
139.11302	9.3
143.03508	1.4
143.05016	1.3
147.02998	6.4
147.04071	0.8
147.04445	0.5
149.02437	2.2
152.01149	1.4
155.07086	0.8
159.02991	2.0
161.02483	0.7
161.04547	6.4
161.06052	1.9
164.04857	0.9
167.03510	10.8
171.11826	0.8
173.00891	4.1
177.01959	1.1
179.03329	0.7
179.05661	1.2
179.10724	1.4
183.10262	13.9
189.12868	1.5
189.47878	0.8
190.02679	0.6
191.01973	8.4
191.05574	0.8
193.04977	0.7
205.05122	1.0
207.06758	0.8
209.02959	1.1
223.13388	2.2
225.11400	0.6
235.06082	2.3
237.14960	0.9
243.03194	0.5
267.12299	2.8
271.02530	0.9
297.06131	2.4
300.02740	2.1
301.03311	1.4
315.12280	0.6
315.16019	0.9
341.05170	3.9
359.06158	1.9
387.10046	1.1
387.14529	13.4
388.15134	1.0
415.65775	0.7
425.18204	2.2
441.13980	2.3
443.19177	11.1
444.19553	1.0
459.15103	7.4
505.33789	3.5
523.34546	0.9
549.20062	3.8
609.29199	100.0
610.29419	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	609.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
57.03429	3.4
58.00578	1.0
59.01379	76.7
61.98827	1.7
69.43817	2.0
69.44216	5.7
71.01384	20.8
72.99298	1.1
73.02933	5.1
83.01372	1.9
85.02945	13.7
87.00900	1.5
87.04469	0.9
89.02431	4.3
95.01371	3.8
99.00880	1.7
101.02438	8.5
104.43619	0.9
113.02447	15.4
119.03481	2.3
121.02999	1.1
125.02416	2.4
129.01892	0.9
143.03421	1.2
148.54077	1.0
151.00285	1.2
161.04501	2.2
191.05664	2.1
255.03061	1.6
271.02438	5.5
300.02664	8.2
301.03452	3.6
315.25342	1.1
341.92902	1.0
349.87527	0.9
359.28107	2.1
361.29620	11.9
387.14557	7.7
463.08731	2.7
505.33804	100.0
506.34061	9.9
523.27576	1.9
523.34863	20.9
524.35510	2.1
565.36084	11.0
566.35962	1.8
609.13226	6.6
610.14093	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41345	0.7
56.12102	0.7
57.03440	1.4
59.01378	100.0
60.01712	1.0
61.98824	3.2
66.35764	0.7
71.01380	10.7
73.02956	2.9
80.81289	0.7
83.01389	2.2
85.02957	5.5
87.00881	1.0
87.77615	0.7
89.02467	2.2
93.03447	1.1
95.01398	1.5
98.19855	2.0
99.00876	1.3
99.39861	0.7
101.02448	6.2
113.02447	8.2
120.85684	0.7
125.02470	1.1
143.03558	2.0
159.02995	0.7
161.04585	3.1
173.04562	2.2
179.10783	1.6
182.37019	0.7
191.05589	5.5
197.15506	0.7
216.18311	0.7
244.12679	0.7
271.02536	0.7
297.81390	0.7
299.25931	1.7
300.02844	2.3
320.93744	0.7
340.66055	0.6
345.30096	5.5
346.30167	0.8
367.21613	0.7
386.13348	1.2
387.13748	1.0
422.71509	0.8
489.34326	61.1
490.34656	6.5
507.35382	21.9
508.35922	2.6
549.36487	8.7
550.36694	1.9
609.14673	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76477	0.8
57.03445	2.2
59.01378	100.0
60.01704	0.7
61.98832	8.0
65.62015	0.6
69.03452	0.8
70.63094	0.8
70.63429	1.4
71.01377	10.5
72.99315	0.9
73.02944	3.0
75.00879	1.7
83.01394	2.5
85.02943	7.8
87.00877	2.2
89.02459	1.4
93.03437	3.9
95.01360	1.5
97.02937	0.9
99.00895	2.2
101.02430	7.1
113.02451	8.7
113.70480	0.6
125.02438	1.9
127.79025	0.7
136.34032	0.6
137.02480	2.5
143.03488	3.4
157.12477	0.9
161.04567	1.5
173.04605	2.9
175.03996	0.8
191.05609	4.4
222.23444	0.6
255.02977	1.8
268.32251	0.7
271.02338	3.3
299.25894	1.7
300.02692	7.3
301.03439	3.1
327.28912	0.7
345.30048	5.2
369.02246	0.7
489.34277	61.6
490.34610	7.0
505.33850	1.4
507.35284	19.7
508.35681	1.5
549.36511	7.8
609.14911	6.8
609.25366	1.8
610.15582	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40590	0.5
55.01882	1.6
57.03450	2.4
58.00597	2.8
59.01379	100.0
60.01721	0.8
61.98833	1.8
71.01381	50.5
71.31869	1.2
72.99319	3.5
73.02957	6.0
81.03457	0.7
83.01389	3.7
85.02949	16.9
87.00891	2.5
89.02445	47.0
90.02772	0.5
90.98587	4.0
95.01389	4.1
97.03001	0.6
99.00906	1.7
101.02441	33.6
102.02801	0.8
113.02448	23.6
119.01395	4.4
119.03503	23.3
119.04911	1.1
121.02972	5.3
125.02495	1.1
129.01949	0.7
129.55511	0.5
131.03511	2.5
137.02452	6.4
143.03514	5.5
143.05051	1.8
145.02992	0.9
149.02501	1.7
149.04559	1.7
151.04103	0.6
159.03029	2.8
161.04568	16.5
161.06064	1.8
162.05063	0.6
173.06082	0.8
175.04057	0.7
179.05618	5.1
180.06100	0.6
191.05640	1.5
208.14095	0.6
223.09908	0.7
271.02597	1.3
285.07745	1.4
300.02820	1.6
314.23224	0.5
387.14487	32.5
388.15033	2.3
444.74240	0.8
459.14990	0.8
505.33801	6.3
523.34943	1.7
549.19830	16.1
550.20557	1.9
609.14240	1.3
609.29279	1.0
613.90210	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.25723	1.9
61.98839	14.8
71.01389	14.1
71.39011	2.0
71.55425	3.0
71.55795	2.3
73.02962	3.5
73.38052	2.0
83.01418	2.5
85.02950	9.6
87.20048	2.1
96.96017	5.8
101.02449	7.3
113.02450	7.3
121.03027	2.3
125.43890	1.9
132.81711	2.1
149.02432	2.6
151.03947	3.1
161.04610	5.4
164.04822	3.0
169.00020	2.2
177.01930	2.6
193.05173	2.4
194.05769	3.2
209.08188	29.1
223.06071	3.0
271.02487	5.7
300.02759	9.8
301.03638	3.7
345.16879	3.2
363.99734	2.6
450.87234	2.5
489.34442	6.2
507.35535	2.6
609.14478	9.9
609.24390	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	609.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.8
59.01381	100.0
60.01731	2.2
61.98831	14.1
71.01369	13.1
71.54254	2.6
73.02944	4.6
73.73351	1.9
76.36055	1.8
78.37826	1.8
81.65958	1.9
85.02941	7.7
88.81809	1.8
96.96018	3.9
101.02453	4.8
113.02432	4.3
119.74634	1.8
125.02457	1.9
126.34162	2.0
129.01936	1.9
149.02473	3.5
159.03020	1.9
161.04541	6.4
179.03462	4.6
179.10789	2.9
194.05904	3.2
209.08182	29.0
255.03015	2.9
271.02322	5.5
288.96957	2.0
300.02747	10.6
301.03375	2.9
345.17010	2.3
419.85083	2.2
435.12912	1.9
489.34201	7.1
609.14575	9.4
609.25110	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	609.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01933	1.9
57.03506	1.5
58.00651	1.4
59.01442	11.0
65.00383	0.9
69.03519	1.5
69.76780	2.6
71.01457	18.3
73.03023	7.2
81.03524	0.9
83.01388	4.2
83.05107	2.1
85.02948	10.8
87.00964	0.7
89.02447	3.4
93.03551	1.7
95.01486	1.7
97.03041	0.5
98.20666	1.0
99.00969	2.6
99.04511	5.1
101.02442	14.6
107.01457	1.3
109.03053	1.4
111.00980	1.0
111.04627	1.8
113.02456	8.8
119.03596	1.5
119.05105	1.3
121.03048	2.6
125.02415	3.0
129.02069	0.7
137.02524	0.8
150.03230	0.6
151.00354	9.2
155.10835	0.7
159.03082	1.3
161.04521	6.2
163.00383	1.3
163.04050	0.6
165.05685	1.8
178.99873	5.2
179.05702	0.9
191.05672	0.9
211.04060	0.8
223.13504	1.4
227.03438	1.1
243.03036	2.9
243.16118	2.3
245.04619	0.9
254.02238	0.7
254.50697	0.7
255.03033	8.1
255.16119	2.3
271.02441	13.1
272.03079	0.8
273.04175	0.7
283.02615	1.6
285.17084	10.8
285.20239	0.6
300.02725	24.2
300.05988	1.3
301.03494	24.4
302.03845	1.4
306.35449	0.6
362.93637	0.6
387.20215	11.2
387.24973	0.9
388.20377	0.7
549.25507	100.0
550.25751	10.0
609.14545	37.5
610.14880	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49935	1.2
53.14192	1.6
57.03439	1.7
59.01381	100.0
69.40849	1.2
70.32854	2.0
70.33212	3.4
71.01377	6.9
72.99271	1.6
73.02952	6.2
83.01398	2.0
85.02953	5.8
89.02419	2.0
91.42388	1.5
101.02456	13.8
113.02460	5.1
124.01660	3.2
139.04007	9.1
161.04536	5.1
189.87845	1.3
221.10303	26.2
263.11356	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	609.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.9
59.01381	100.0
60.01702	0.8
66.09136	0.7
69.11880	0.7
71.01383	8.9
71.54261	1.6
72.99314	1.0
73.02964	2.8
79.02277	0.8
83.01394	1.7
85.02943	6.8
89.02475	1.4
96.96018	2.9
99.00878	1.5
101.02456	8.8
102.79898	0.8
111.00871	1.1
111.40591	0.9
113.02450	4.0
116.05086	1.0
124.01675	3.6
125.02466	1.7
130.25240	0.8
137.02507	1.6
139.04024	11.5
144.39761	0.8
161.04532	4.8
179.03616	1.0
191.05630	7.1
203.08286	2.4
209.03064	2.7
221.10310	19.8
243.12424	3.0
263.11340	13.1
271.02637	1.1
278.71243	0.7
299.02020	1.1
353.08728	2.1
358.30383	0.7
565.15814	1.8
609.14673	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	609.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63855	0.9
52.94032	0.9
54.68725	1.0
59.01379	17.7
61.98823	4.9
64.46264	0.9
69.46222	5.4
71.01388	5.5
73.02933	2.1
75.00833	1.1
85.02961	5.9
88.98841	1.4
89.02424	2.7
101.02419	1.8
109.02876	1.0
109.25240	0.9
113.02415	2.9
123.00871	6.0
124.01637	5.3
125.02475	1.1
136.01646	2.0
137.01466	1.5
137.02449	18.2
138.03246	7.3
150.03220	11.9
151.00311	1.7
151.03925	1.2
152.01138	15.9
153.01993	1.2
162.03178	1.5
163.04004	14.3
166.02754	1.6
177.01903	3.2
177.05518	2.0
178.02724	14.9
179.03516	8.7
187.03940	1.9
188.04707	2.8
191.03435	1.0
191.05632	2.0
204.04224	0.9
205.05011	2.0
206.05801	11.5
207.31189	0.9
211.13370	2.4
221.08089	2.4
255.02864	1.7
271.02478	1.9
271.06058	1.1
281.98398	1.1
300.02890	6.6
301.03461	2.3
319.30649	1.0
342.10925	3.0
357.09351	1.4
357.13358	2.2
361.29630	1.9
371.01450	1.3
371.11237	6.5
372.12122	66.9
373.12534	5.0
387.14499	100.0
388.14877	8.3
392.39844	1.1
397.13510	1.6
457.38696	1.1
505.33780	16.2
523.34717	3.9
565.35864	1.7
609.14539	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	609.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.0
57.03449	15.6
59.01381	19.1
61.98824	3.0
63.00761	0.6
68.99814	1.0
69.03480	0.8
70.84794	1.7
71.01382	12.7
72.99303	0.9
73.02946	2.4
75.00861	0.9
76.25115	0.8
83.01392	5.3
84.02183	1.4
85.02950	100.0
86.03284	1.6
87.00871	2.6
88.98819	1.3
89.02443	6.9
91.01896	2.9
95.01399	1.3
96.96030	1.4
98.91312	0.7
99.00887	0.8
101.02435	7.3
108.02168	1.8
109.02949	1.1
111.00874	10.2
111.04475	0.7
113.02435	2.8
115.00339	1.0
119.03510	2.7
121.02952	0.9
123.04530	8.6
125.02456	1.3
125.06130	3.4
129.00961	1.7
129.01941	34.4
135.04510	0.9
139.07709	1.0
145.01408	0.8
147.03003	13.1
149.02359	1.3
151.04013	1.1
152.01141	2.1
153.01970	1.0
155.10741	1.1
165.98973	0.9
167.03494	23.2
173.00909	15.5
177.01888	0.9
181.01424	1.2
183.10277	11.6
189.12790	0.7
191.01944	12.2
191.03603	1.0
205.05096	1.2
207.06599	0.8
209.03035	1.9
223.13380	4.6
235.06085	2.9
237.15038	0.9
249.11371	1.0
267.12552	3.6
271.02460	1.6
295.02463	0.9
297.06210	3.9
300.02740	2.1
301.03568	2.0
317.02875	3.4
333.06165	1.0
341.05142	10.5
359.06088	2.4
397.15085	2.5
433.13757	0.8
441.13928	4.2
443.19217	8.1
447.07108	1.3
459.15021	6.6
537.12537	4.3
609.17957	2.9
609.29199	48.2
610.29700	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	609.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84437	0.5
55.01881	1.6
57.03448	10.0
58.65034	0.5
59.01380	27.8
60.01710	0.5
61.98833	14.2
69.62101	0.5
71.01384	6.8
71.54904	0.5
71.55627	0.5
72.99302	0.8
73.02944	2.4
75.00877	2.1
83.01392	4.2
84.02196	2.3
85.02952	100.0
86.03292	1.8
87.00849	2.5
88.14150	0.5
88.98789	0.9
89.02444	2.6
90.98597	1.0
91.01899	1.5
93.03438	0.7
95.01339	0.5
96.96005	1.8
101.02451	4.2
106.83499	0.5
108.02193	2.4
109.02967	1.1
111.00890	7.4
113.02453	2.7
119.03523	0.6
119.05019	0.8
121.02983	1.1
122.03558	0.5
123.00887	0.6
123.04502	5.9
123.21181	0.5
124.01655	0.6
125.02435	1.5
129.01942	19.8
129.62436	0.5
134.03787	0.7
135.04498	0.8
137.02434	1.1
143.03476	0.9
147.02994	9.8
149.02464	3.4
151.04070	0.8
152.01160	2.2
155.10768	2.0
159.03055	0.7
161.04590	2.1
163.04021	1.5
164.04807	1.8
165.05550	0.8
167.03491	14.3
173.00934	8.6
175.82941	0.5
179.05670	1.7
179.10751	1.2
182.02365	0.5
187.11420	0.7
191.01984	9.8
191.03542	0.9
191.05627	0.8
192.04311	0.6
193.05020	0.6
197.11578	0.6
205.05086	0.8
207.06638	1.0
209.02939	1.3
209.04619	0.9
223.06126	5.8
223.13342	3.5
226.61436	0.5
235.02452	0.7
235.06151	3.8
241.10899	0.9
267.12335	5.1
271.02451	1.8
279.01593	0.6
279.05106	1.3
280.15164	0.6
297.06171	4.8
300.02792	3.6
301.03482	1.7
301.06851	0.6
304.05374	0.6
323.04095	0.7
341.05099	8.4
344.05673	0.7
359.06525	2.1
361.08453	1.1
361.16776	0.9
386.09738	0.6
397.15030	1.9
403.16144	1.2
441.13925	5.2
459.15024	17.7
459.21085	1.1
460.15378	1.7
504.32852	1.1
505.33505	5.1
523.34747	1.4
549.23492	1.1
609.17023	4.6
609.27484	1.0
610.16742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
56.69872	0.5
57.03449	14.1
59.01377	7.5
60.99297	0.9
61.98835	2.2
65.95062	0.5
68.99821	0.5
69.31611	3.8
71.01388	3.6
72.99297	0.8
73.02945	1.6
75.00877	0.5
83.01393	4.7
84.02155	1.5
85.02951	100.0
86.03301	1.4
87.00852	0.9
87.18211	0.4
88.98814	5.5
91.01875	3.2
93.03448	0.4
95.50093	0.4
96.96021	0.7
101.02428	1.6
107.01373	0.9
108.02136	2.0
111.00883	12.0
113.02422	0.5
121.02948	0.6
123.03642	0.5
123.04535	9.0
124.01691	0.8
125.02408	0.7
129.01944	39.8
130.02272	1.2
130.23682	0.4
134.03741	1.4
135.04532	0.7
136.01595	0.4
137.02383	0.6
145.03009	0.6
147.02992	16.1
147.06958	0.4
149.02440	0.5
151.00371	2.1
151.03917	0.7
152.01131	1.3
153.54099	0.5
155.10760	0.8
161.02242	0.5
161.04633	0.4
161.09731	1.0
163.04036	0.6
167.03497	26.5
168.03677	0.4
173.00906	15.9
173.02393	0.9
175.03943	0.6
179.03375	0.5
181.05118	0.5
191.01973	15.8
191.05597	0.6
193.05099	0.6
197.04703	0.4
209.03003	1.2
223.06024	0.6
223.13361	3.1
235.06145	2.5
241.10655	0.5
243.02969	0.6
252.41830	0.4
255.03152	1.0
267.12396	1.5
271.02457	1.8
272.82077	0.4
297.06165	4.5
299.05591	0.9
300.02750	3.0
301.03455	1.4
301.07101	3.3
341.05118	14.0
342.05447	0.9
342.13501	0.9
359.06277	4.3
387.14398	0.6
397.10330	0.4
397.14890	2.5
433.13461	1.4
441.14053	1.5
447.12796	0.8
459.14929	3.4
609.14825	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
56.69872	0.5
57.03449	14.1
59.01377	7.5
60.99297	0.9
61.98835	2.2
65.95062	0.5
68.99821	0.5
69.31611	3.8
71.01388	3.6
72.99297	0.8
73.02945	1.6
75.00877	0.5
83.01393	4.7
84.02155	1.5
85.02951	100.0
86.03301	1.4
87.00852	0.9
87.18211	0.4
88.98814	5.5
91.01875	3.2
93.03448	0.4
95.50093	0.4
96.96021	0.7
101.02428	1.6
107.01373	0.9
108.02136	2.0
111.00883	12.0
113.02422	0.5
121.02948	0.6
123.03642	0.5
123.04535	9.0
124.01691	0.8
125.02408	0.7
129.01944	39.8
130.02272	1.2
130.23682	0.4
134.03741	1.4
135.04532	0.7
136.01595	0.4
137.02383	0.6
145.03009	0.6
147.02992	16.1
147.06958	0.4
149.02440	0.5
151.00371	2.1
151.03917	0.7
152.01131	1.3
153.54099	0.5
155.10760	0.8
161.02242	0.5
161.04633	0.4
161.09731	1.0
163.04036	0.6
167.03497	26.5
168.03677	0.4
173.00906	15.9
173.02393	0.9
175.03943	0.6
179.03375	0.5
181.05118	0.5
191.01973	15.8
191.05597	0.6
193.05099	0.6
197.04703	0.4
209.03003	1.2
223.06024	0.6
223.13361	3.1
235.06145	2.5
241.10655	0.5
243.02969	0.6
252.41830	0.4
255.03152	1.0
267.12396	1.5
271.02457	1.8
272.82077	0.4
297.06165	4.5
299.05591	0.9
300.02750	3.0
301.03455	1.4
301.07101	3.3
341.05118	14.0
342.05447	0.9
342.13501	0.9
359.06277	4.3
387.14398	0.6
397.10330	0.4
397.14890	2.5
433.13461	1.4
441.14053	1.5
447.12796	0.8
459.14929	3.4
609.14825	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.8
60.99308	6.0
61.98820	3.5
63.02421	0.8
65.00317	1.7
71.01376	2.9
71.02635	1.7
83.01382	1.5
85.02950	2.2
87.00846	1.1
88.98804	29.4
89.02448	5.7
101.02416	1.6
107.01385	3.5
108.02157	1.6
109.02964	2.1
113.02515	0.8
115.20493	0.9
118.08655	0.8
118.61857	0.8
119.05001	1.4
121.02962	2.0
129.19267	0.7
148.01695	1.1
151.00368	14.3
163.00333	3.3
163.03993	0.9
169.01416	0.9
169.95337	0.7
178.99883	10.1
183.04428	0.9
191.05579	1.3
199.03880	1.5
209.11819	2.0
210.12154	1.0
215.03613	1.1
226.02766	1.5
227.03406	3.0
229.04922	1.0
243.02931	8.1
245.04482	1.2
254.02173	2.9
255.02977	24.9
256.03387	1.1
271.02460	52.7
272.02939	4.2
273.03915	1.4
283.02368	1.7
299.01974	2.8
300.02744	89.1
301.03482	48.6
302.03845	1.7
317.73145	0.8
338.17487	0.8
445.90396	0.8
447.09167	13.4
463.08530	4.4
549.25323	2.4
565.18286	1.5
573.12415	0.9
609.14575	100.0
610.14923	11.7
635.52972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67743	0.2
51.72034	0.2
63.02402	0.5
65.00307	1.1
69.58779	0.6
69.59186	0.9
82.35166	0.2
83.01399	0.9
91.01846	0.4
93.03427	0.4
98.20624	0.5
107.01398	2.7
108.02179	1.2
109.02955	1.5
121.02946	2.1
125.02465	0.5
130.48100	0.2
135.00894	0.7
148.01660	1.0
149.02434	0.4
151.00363	11.1
163.00392	2.6
163.04034	0.3
164.01079	0.6
171.12607	0.2
178.99866	5.9
183.04536	0.5
192.00681	0.4
193.01321	0.3
199.03961	0.5
201.01947	0.3
203.03493	0.3
211.03993	1.1
213.01910	0.3
215.03418	0.6
216.04247	0.7
226.02725	1.3
227.03459	2.5
228.04308	0.3
229.05017	0.8
238.96217	0.2
239.03352	0.3
243.02969	8.1
244.03493	0.8
245.04532	1.0
254.02196	1.6
255.02980	24.1
256.03442	1.6
257.04593	0.3
271.02469	47.7
272.02933	3.9
273.04007	0.8
283.02460	1.2
299.02036	1.3
300.02744	84.8
301.03473	36.0
302.03922	1.7
324.39798	0.2
343.04492	0.4
447.09326	2.9
460.92041	0.3
609.14606	100.0
610.14899	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38862	0.9
58.02955	0.9
59.01377	4.4
65.00314	1.0
67.01867	1.3
69.46503	0.7
70.86866	1.8
71.01376	2.6
76.78689	0.8
80.31948	0.8
83.01374	0.9
85.02948	2.4
87.00861	1.4
89.02439	2.0
90.66544	0.7
93.03446	4.1
96.96013	1.4
101.02426	1.8
109.02962	2.0
113.02399	1.1
119.05013	1.3
121.02913	1.6
125.02430	2.5
133.02939	8.3
135.04485	1.2
137.02403	1.4
139.73611	0.8
149.02415	1.6
149.04532	1.7
151.00349	1.5
151.04033	1.8
161.02408	1.3
163.00475	1.1
163.03998	3.9
165.01865	2.2
173.04539	13.2
175.02492	2.2
175.04015	3.1
177.01947	1.7
178.99840	1.3
191.03743	1.0
191.05591	6.0
192.05983	0.9
199.04106	1.4
201.01849	0.9
201.96924	0.8
209.11856	1.5
210.12126	1.3
223.65721	0.7
223.78381	0.8
227.03497	1.2
243.02733	1.2
253.05107	0.9
255.02940	1.8
255.06618	0.9
263.20993	0.9
269.04575	1.6
270.05060	1.1
271.02490	2.4
271.05920	0.8
273.26505	0.8
284.03168	5.6
285.04050	8.8
297.00925	1.6
297.04050	13.0
298.04825	16.5
299.02090	3.0
299.05545	20.4
300.02808	1.0
301.03604	3.1
309.04034	1.9
311.01950	3.4
311.05597	3.1
313.03564	22.1
313.07199	1.1
324.02820	1.3
325.03561	1.6
327.05084	89.9
328.05347	4.7
330.03796	1.9
337.09167	4.6
339.05045	5.7
341.06516	2.2
357.06152	25.3
369.06070	3.5
381.06021	0.9
385.13025	1.2
447.09341	44.2
448.09552	3.7
463.08899	1.1
489.10208	5.8
519.11676	1.5
549.25507	1.0
609.14594	100.0
610.14978	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	609.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.6
65.00308	1.1
67.44930	0.8
71.01379	1.6
71.54521	1.0
78.86353	0.6
83.01366	0.9
85.02968	0.9
87.00876	1.2
89.02457	1.5
93.03455	2.6
101.02460	0.9
107.01404	2.0
109.02950	2.0
119.04990	1.7
119.22736	0.6
121.02940	2.5
125.02460	1.1
133.02950	2.5
135.04501	1.4
149.02438	1.3
149.04567	5.3
151.00377	6.7
151.03987	0.9
163.00398	1.4
163.03995	1.9
173.04558	3.7
175.00421	0.9
175.03963	1.4
178.99884	2.6
179.03439	1.5
182.02209	1.8
183.02518	1.1
183.04353	0.8
187.03961	0.9
191.05598	7.2
193.01436	1.0
197.04527	1.0
199.04031	2.2
201.01932	1.4
201.05470	0.7
203.03560	0.8
209.11858	1.1
210.12267	0.9
215.03569	1.2
226.02727	1.4
227.03545	3.4
229.05029	0.9
243.02956	5.2
255.02942	3.2
269.04318	0.9
271.02484	42.1
272.02863	1.9
273.03766	0.8
283.02438	4.2
284.03226	2.1
285.03986	5.0
297.04077	4.6
298.04758	5.2
299.01999	69.0
299.05505	6.8
300.02621	13.5
301.03525	58.2
302.03848	2.7
311.01941	1.0
313.03470	7.0
324.06430	0.8
327.05069	24.1
328.05508	1.2
337.09354	2.9
339.05008	1.5
343.04428	1.6
357.06094	6.3
369.05795	0.9
385.13229	0.8
444.10107	1.0
446.08533	0.8
447.09271	24.3
448.09381	1.5
462.08002	18.8
463.08783	20.1
463.15405	1.1
464.09262	1.1
489.10312	1.6
549.25519	1.6
609.14587	100.0
610.14728	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	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50106	0.5
51.83982	0.6
57.01443	0.6
57.03412	0.5
57.22512	0.5
59.01362	2.6
63.02395	1.2
65.00322	3.0
69.49653	1.9
69.50078	2.0
71.01375	3.7
73.02954	1.4
83.01373	2.3
85.02952	1.8
89.02427	0.9
93.03458	0.8
99.00842	0.7
99.04491	0.7
101.02438	2.3
107.01382	6.3
108.02203	0.7
109.02957	4.5
110.47118	0.5
113.02456	1.6
119.05029	1.5
121.02947	4.9
125.02398	0.8
133.95468	0.5
135.00885	0.9
137.02432	0.9
148.01663	1.3
149.02448	0.9
151.00366	28.9
152.00795	0.9
154.82886	0.5
159.04471	0.7
161.04573	0.7
163.00374	5.4
163.03973	0.8
173.06049	0.7
178.99852	13.5
183.04474	1.0
187.03999	0.5
189.05508	0.6
190.99753	0.8
191.05560	0.7
192.00659	0.6
193.01402	0.9
199.04005	0.9
201.05611	1.2
203.03493	0.6
211.03999	2.3
213.05725	0.7
216.04227	0.5
217.04861	0.6
226.02681	0.9
227.03433	2.3
227.16512	0.6
229.05016	1.8
239.03584	1.1
243.02962	5.3
245.04492	3.2
254.02162	1.2
255.02991	18.1
256.03598	1.6
271.02478	30.0
272.02924	2.4
273.03989	2.9
283.02411	2.5
285.17044	2.0
299.02075	0.6
300.02744	47.5
301.03500	69.3
302.03949	3.9
387.20041	1.6
481.94562	0.6
549.25488	14.2
550.25665	0.8
609.14581	100.0
610.14990	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	609.1252
Annotation	quercetin 3-O-(4"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
57.03446	2.0
58.00613	0.6
59.01377	32.3
60.01715	1.6
61.98830	3.3
63.02398	1.1
63.78101	0.4
64.74245	0.4
65.00320	1.9
69.23031	4.9
71.01381	11.4
72.99306	0.7
72.99753	0.5
73.02936	2.5
78.94579	0.6
83.01393	2.1
85.02952	11.6
85.06579	0.6
86.03303	0.6
87.00881	1.3
89.02428	4.5
93.03471	1.0
95.01401	1.2
96.96008	0.6
97.02956	0.5
99.00882	1.5
101.02448	5.6
107.01396	2.7
108.02175	1.7
109.02944	2.0
110.14434	0.6
111.00874	0.6
113.02444	6.7
117.03484	0.6
119.03519	1.9
119.05040	1.4
121.02945	2.4
123.82212	0.5
124.01673	0.6
125.02438	1.5
129.01923	0.9
132.15811	0.6
135.00882	0.6
135.04547	1.2
137.02428	0.6
143.03506	1.8
145.02951	2.1
147.03055	0.7
148.01662	1.1
149.04572	0.8
151.00360	11.5
151.01563	0.6
161.02449	0.6
161.04524	2.0
163.00343	3.2
173.00880	0.6
173.04565	0.8
178.99872	5.1
179.05695	0.7
187.03894	0.5
190.99794	0.9
191.01936	1.4
191.05589	4.3
192.00627	0.7
192.05925	0.6
199.03951	1.1
201.05389	0.6
211.03989	1.1
211.13336	0.6
214.49301	0.6
226.02708	1.9
227.03555	3.9
233.08194	1.0
243.02951	10.2
244.03491	1.2
245.04707	0.6
254.02263	2.6
255.02957	25.1
256.03424	2.0
271.02457	55.9
272.02975	4.5
273.03940	1.0
283.02487	1.0
285.13055	0.5
299.02036	0.8
300.02725	100.0
301.03461	38.9
302.03915	2.4
303.56793	0.5
359.27863	0.6
360.28644	0.6
361.29544	3.1
388.45572	0.5
434.27798	0.7
463.08777	52.3
464.08963	4.9
503.32141	1.4
504.32581	8.0
505.33649	28.1
506.33871	0.8
522.33551	1.5
523.34723	5.9
564.33685	0.6
565.35828	3.5
609.12506	65.6
610.12866	8.3
615.88806	0.6
622.16156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
57.03452	4.9
59.01377	89.2
61.98829	8.4
65.20208	1.8
71.01382	28.5
71.14886	2.9
72.99300	2.7
73.02950	6.7
75.00852	1.6
83.01399	3.9
85.02946	19.9
87.04533	1.7
88.70454	1.4
89.02440	9.0
95.01388	2.5
96.96023	1.9
97.06596	2.0
99.00885	2.6
101.02425	15.0
108.62277	1.4
111.00896	2.0
113.02438	15.3
119.03506	2.3
124.01617	1.6
125.02461	3.7
126.15884	1.5
134.03807	2.0
143.03462	2.4
143.10750	2.1
143.78975	1.6
161.04573	7.6
161.05812	1.8
184.16284	1.8
191.05606	4.1
195.06613	1.9
218.74823	1.6
256.47253	1.8
341.27020	2.5
359.28180	8.6
433.28140	3.8
485.30969	2.1
503.32254	100.0
504.20047	1.7
504.32803	9.1
521.33197	25.0
522.33722	3.1
541.26611	1.7
563.34387	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	608.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22876	0.9
52.99707	1.1
59.01383	6.8
61.98817	1.9
70.02973	18.0
71.01381	7.3
71.54432	1.4
72.99291	0.9
85.02946	7.0
85.80371	0.9
91.05524	2.4
93.03440	1.2
96.99310	5.7
99.04513	1.2
101.02438	2.4
107.01356	1.1
109.02915	1.2
113.02462	1.7
114.01968	100.0
117.02705	1.8
117.03436	8.9
117.07007	1.2
118.06631	1.1
119.05013	2.2
129.01936	3.9
134.06119	13.9
144.08159	1.5
145.02809	1.2
146.04608	2.3
146.06107	2.5
149.02460	1.3
150.03282	1.8
151.00345	3.1
160.07677	2.6
163.18933	1.0
165.05565	2.0
176.17445	1.0
178.99863	1.9
181.05042	1.7
188.07158	2.7
191.05608	9.1
192.73080	1.1
195.06616	2.0
203.44719	1.4
209.11771	2.7
210.12190	1.9
232.06137	83.2
233.06490	3.2
255.02924	4.6
264.08740	21.8
265.09109	1.8
271.02438	13.3
283.15182	1.1
285.04074	1.1
300.02728	20.6
301.03384	7.6
357.13651	1.7
397.13739	1.4
464.09061	1.8
548.24548	1.6
549.25574	3.3
609.14526	22.9
609.23883	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	608.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11856	0.2
59.01373	1.0
60.07152	0.3
61.98829	100.0
71.01406	0.4
72.06993	0.2
80.96523	0.3
93.03481	0.6
100.95925	0.2
110.13615	0.2
112.65569	0.2
126.06193	0.2
137.02483	0.3
165.01947	0.4
173.04576	0.8
191.05566	1.2
209.11911	0.3
232.06607	0.2
255.03084	0.3
271.02576	0.9
300.02863	1.0
301.03589	0.4
605.10205	0.3
608.25299	0.4
609.15271	1.1
609.25421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60847	0.1
58.02964	0.8
59.01377	1.4
61.98829	100.0
70.41837	0.4
72.00890	0.2
74.17999	0.1
85.02946	0.4
93.03472	0.3
111.02017	0.2
111.14676	0.2
115.08767	2.5
119.05045	1.1
129.10365	1.3
134.06142	0.3
141.06708	1.6
155.08282	0.2
162.15182	0.2
163.03986	0.9
164.04704	0.2
167.08302	0.3
167.09647	0.2
171.11435	0.7
173.09341	0.3
180.06651	2.7
192.05846	0.2
197.16600	0.5
209.12956	1.1
226.51724	0.2
233.12924	0.3
235.14528	1.8
256.17105	0.2
260.50497	0.2
261.12540	0.3
261.19791	0.3
271.02603	0.2
279.13507	1.6
300.02899	0.2
306.52475	0.2
315.90402	0.2
330.14664	0.5
346.21539	0.4
348.22498	0.2
489.34109	0.2
545.29779	19.6
546.30066	2.0
609.14661	0.3
609.26410	0.3
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
50.60321	1.3
54.78363	1.1
57.84486	1.2
59.01377	100.0
60.01688	1.3
61.98823	18.9
69.27406	10.4
71.01381	16.1
72.99315	1.4
73.02940	5.0
75.00873	6.8
78.45463	1.1
83.01376	1.6
85.02953	9.2
87.00870	4.6
88.98811	1.6
89.02448	7.8
93.03461	4.5
95.01384	2.0
99.00905	2.7
101.02442	11.9
107.88734	1.3
113.02466	9.0
119.03488	2.2
125.02444	2.3
140.58530	1.1
143.03494	1.9
149.04512	1.3
150.03227	2.5
151.04068	1.3
161.04523	2.9
165.05560	3.9
173.04483	4.3
173.05867	1.3
188.04787	2.0
191.04016	1.5
191.05530	5.9
195.06584	2.1
203.03455	1.1
203.07202	2.3
209.11794	17.4
216.53134	1.2
224.22862	1.1
235.08289	2.0
359.28058	2.7
385.08643	1.5
385.13324	5.8
397.13580	10.1
415.14410	4.5
487.32510	4.3
503.32294	8.2
521.33191	3.7
547.36035	1.3
563.34338	97.5
564.34814	11.4
607.24927	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	607.261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52454	0.6
55.01876	0.7
57.03453	1.2
58.00597	4.4
59.01378	100.0
60.01718	0.6
60.67430	0.6
62.06074	0.7
71.01381	66.7
71.54373	0.7
71.76205	0.6
72.01738	0.9
72.99313	5.5
73.02943	1.7
83.01381	2.0
85.02948	10.9
87.00880	4.9
89.02444	95.2
90.02768	0.7
92.22284	0.6
95.01373	4.9
99.00833	0.8
101.02440	35.4
107.03501	1.1
113.02452	27.6
119.03496	32.5
125.02467	3.7
131.03491	5.0
133.01442	0.7
140.37860	0.6
143.03497	10.7
149.04553	3.9
151.23979	0.6
161.02414	0.8
161.04547	14.0
173.04482	0.7
179.05603	64.2
180.05910	1.7
182.02213	5.7
183.10301	0.6
191.05605	3.3
197.04556	4.1
199.03979	0.7
325.32648	0.7
346.22849	0.7
359.09515	2.2
401.10764	1.7
427.19485	0.8
435.06918	0.6
487.21558	1.0
547.23914	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	607.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25302	0.2
55.57147	0.2
57.77637	0.2
59.01381	79.6
60.01718	1.0
67.01881	0.2
69.03461	0.6
69.18740	2.4
71.01385	4.4
78.60957	0.2
84.02173	6.4
85.02970	0.9
86.91644	0.2
87.00891	0.3
89.02445	7.0
93.03473	0.8
95.01393	0.6
97.02950	0.6
101.02431	2.2
108.02176	7.0
109.02958	2.1
113.02432	1.8
117.25208	0.2
119.03492	3.3
119.05054	0.4
121.02962	7.4
122.03788	0.5
123.04526	0.4
125.31572	0.2
130.04274	0.3
131.03574	0.3
131.05011	0.6
133.02979	0.4
134.03763	0.4
135.04544	0.6
136.01665	5.1
137.02455	2.9
143.03491	0.8
145.02943	0.3
146.03793	0.3
147.04523	1.8
147.08177	0.3
148.05260	0.5
149.02412	1.2
149.04521	0.5
149.06058	0.4
150.03218	1.5
151.04079	0.4
155.27756	0.3
159.04590	0.3
161.02455	1.0
161.04594	0.9
161.06091	2.4
162.03250	0.9
162.06868	2.1
163.04002	1.4
163.07645	1.5
164.04741	0.3
165.01927	3.0
171.04572	0.3
173.06093	0.7
174.03285	0.4
175.03998	3.4
176.04706	1.4
177.05515	0.5
177.98677	0.2
178.02721	0.4
179.05644	2.2
179.07068	0.5
182.02277	0.5
187.03964	0.6
188.04771	0.4
189.05585	2.1
190.06351	5.0
191.03522	2.0
191.07141	3.2
193.05072	1.0
202.06375	0.5
204.04286	2.0
205.04984	0.3
205.08711	1.2
207.90253	0.2
208.03790	0.3
216.04118	0.3
217.08536	0.2
219.06636	3.3
220.07332	1.7
222.05423	0.4
234.05505	0.3
234.08989	0.2
235.09729	2.2
267.06567	0.3
284.10529	0.5
286.81076	0.2
298.12091	0.3
299.12915	0.7
311.05579	0.3
314.40427	0.3
324.10004	0.5
327.12344	2.7
328.12512	0.3
337.07315	0.3
339.12384	0.4
355.11902	2.5
356.12622	5.0
357.13348	1.0
367.11914	0.7
385.12921	100.0
386.13254	8.3
386.18225	0.4
503.32263	0.3
547.17175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68565	0.8
58.00591	2.3
59.01378	51.8
65.69170	0.7
69.28278	2.7
69.28695	3.7
70.58414	0.8
71.01383	31.5
72.99307	2.1
73.02932	1.1
78.72781	0.8
83.01406	1.3
85.02954	30.2
87.00877	1.6
87.49075	0.9
89.02445	42.5
95.01390	1.5
101.02443	18.1
102.14594	0.8
113.02444	14.2
119.03497	17.3
129.04515	0.8
131.03525	2.5
137.02385	1.0
143.03491	3.2
149.04594	1.6
161.04552	4.0
162.76688	0.7
179.05580	15.1
191.05634	4.1
262.15643	0.8
265.09268	100.0
266.09695	4.1
270.80884	0.9
290.47366	0.8
298.00702	0.8
337.11166	0.8
341.10938	3.2
353.08978	1.0
374.62042	1.0
390.20871	0.8
464.36731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
57.03445	1.4
58.00598	0.9
59.01381	100.0
60.01717	0.4
61.98836	3.3
70.85691	0.9
71.01384	17.6
72.99309	1.0
73.02947	1.2
74.90437	0.4
83.01396	0.8
85.02946	4.9
87.00893	1.3
89.02446	23.9
93.03463	0.5
95.01409	1.1
96.96043	0.9
97.02957	0.4
101.02446	9.0
108.02199	1.0
109.02996	1.1
113.02449	8.5
119.03503	9.5
119.04919	0.5
121.02976	0.6
123.04562	0.5
125.02525	0.8
129.01949	0.9
131.03535	1.5
134.03772	2.5
135.04533	0.8
136.01686	0.6
137.02438	1.0
143.03510	2.1
147.04488	0.7
149.04565	1.3
149.06183	0.4
151.04045	0.9
159.04709	0.4
161.02492	0.8
161.04564	3.0
161.05917	0.6
163.04132	0.7
165.01907	1.7
167.03540	0.5
175.04008	0.6
179.03416	0.4
179.04051	0.7
179.05612	7.3
189.05751	0.4
191.03529	0.4
191.05605	0.7
193.05070	2.7
202.02693	0.5
217.04984	0.5
219.06699	1.6
223.06200	0.6
367.12067	0.6
385.08572	3.0
385.13663	3.5
386.09607	0.5
485.31592	0.4
490.21432	0.4
503.32300	1.8
607.28033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95212	0.5
59.01380	46.3
61.98830	15.1
61.99163	0.7
62.03495	0.4
62.39275	0.4
68.25630	0.5
69.03474	0.5
69.29866	0.4
69.30206	3.8
71.01369	0.9
71.86898	0.4
84.02165	5.1
85.02944	1.7
87.00884	0.6
89.02458	0.7
93.03461	0.7
97.02961	0.5
101.02424	1.1
108.02167	6.2
109.02962	2.1
113.02509	0.4
116.84447	0.5
119.05038	0.6
121.02962	6.4
121.06588	0.5
123.00912	0.4
123.04546	0.5
124.26178	0.4
129.01939	0.7
131.05009	0.7
133.02946	0.7
133.06633	0.6
134.03717	0.7
134.16151	0.5
135.04503	1.5
136.01672	3.8
137.02495	2.4
142.51750	0.5
147.04529	1.8
148.05193	0.8
149.02454	0.7
150.03238	1.5
151.04042	0.8
159.04495	0.6
161.02463	1.5
161.04692	0.4
161.06055	2.6
161.45238	0.5
162.03224	0.8
162.06850	1.7
163.03981	1.2
163.07655	1.8
164.04810	0.5
165.01923	2.6
167.03499	1.0
173.05997	0.7
174.03174	0.5
175.04057	3.1
176.04753	1.1
177.05560	0.7
178.02797	0.5
178.77313	0.5
182.02238	0.5
189.05591	2.1
190.06396	3.2
191.03491	1.5
191.05576	0.5
191.07100	2.8
193.05005	0.6
204.04259	1.6
205.08710	1.5
209.57661	0.5
216.04153	0.6
219.03050	0.5
219.06630	3.5
220.07430	1.6
221.88031	0.5
223.14705	0.4
235.09760	1.8
284.10284	0.5
299.12885	0.8
326.08493	0.5
327.12335	1.9
355.11914	2.1
356.12659	3.8
357.13245	1.2
368.55499	0.5
385.12915	100.0
386.13260	7.1
492.51807	0.5
545.29944	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	607.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.1
59.01377	94.0
61.93489	0.9
67.01888	2.2
68.99795	0.9
69.03441	2.9
70.95049	1.5
70.95366	1.0
71.01376	10.6
73.02952	1.2
76.09115	0.8
83.01392	1.8
84.44611	0.8
84.45720	0.9
85.02940	4.1
87.00885	1.5
89.02442	12.1
89.55847	0.9
91.01890	3.1
93.03459	3.4
95.01374	2.2
97.02982	2.2
101.02454	6.4
108.02174	7.7
109.02970	6.5
113.02486	4.3
117.03474	1.0
119.03516	4.4
119.04952	2.0
121.02963	10.0
122.03776	0.8
123.00848	1.0
125.02385	1.1
130.04189	1.1
133.02925	3.4
135.00856	3.2
135.04605	1.2
136.01680	7.8
137.02463	3.8
143.03532	1.4
143.05000	6.6
145.02928	1.4
145.06563	3.0
147.04466	3.1
149.02428	2.5
158.03650	1.2
159.04514	2.6
161.02446	1.0
161.04619	2.4
161.06055	10.3
163.03979	4.8
165.01930	25.4
166.02295	1.0
171.04491	10.3
172.05318	2.2
173.02434	2.0
173.06055	6.1
174.03165	2.0
175.04002	3.6
176.04875	0.9
177.01933	4.4
177.05582	1.5
179.03459	3.5
179.05624	3.2
183.04488	1.9
186.03233	1.5
187.03987	1.4
189.05595	6.2
190.06262	2.5
191.07143	6.8
199.04071	2.1
201.05525	6.9
202.02710	8.6
204.04227	2.6
205.04964	1.7
217.05046	13.1
219.06615	22.3
295.05771	0.9
297.07791	1.1
321.07620	1.4
325.07181	8.4
326.07700	1.1
337.07156	2.6
349.07269	5.2
355.08008	1.3
359.27945	1.2
367.08148	8.1
367.12109	1.1
385.09167	100.0
385.13120	27.3
386.09467	7.4
386.13437	1.7
387.88751	1.0
401.10641	1.3
503.32324	11.3
504.33218	1.2
521.32996	2.5
547.83362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22013	0.7
59.01377	100.0
61.98833	1.7
66.15671	0.7
67.01895	1.6
69.03464	3.3
71.01380	11.3
73.02951	1.5
83.01423	1.0
85.02956	1.7
87.00904	1.0
89.02442	12.9
91.01913	2.1
93.03472	2.6
95.01402	1.5
97.02946	0.9
101.02432	4.9
108.02161	5.6
109.02959	4.7
113.02442	4.9
117.52470	0.7
119.03518	5.1
119.05040	1.7
121.02932	5.8
123.04552	0.9
130.04204	1.2
131.03523	1.2
133.03009	1.3
134.03726	1.3
135.00929	2.1
135.04523	1.0
136.01643	6.1
137.02478	3.9
143.03470	1.3
143.05060	4.3
145.02946	1.0
145.06587	2.4
146.03781	1.3
147.04552	3.1
149.02480	1.7
155.05101	0.9
157.06642	0.7
158.03714	1.7
159.04512	2.1
161.02499	0.8
161.04596	2.4
161.06111	7.6
162.03226	1.1
163.03999	4.8
165.01938	16.6
171.04469	5.9
172.05276	1.5
173.02536	1.1
173.04745	0.9
173.06000	3.8
174.03236	1.9
174.11673	0.8
175.03979	1.5
176.04765	1.1
177.01978	2.3
177.05586	1.3
179.03490	2.1
179.05661	4.4
185.26404	0.7
189.05542	3.7
190.06306	1.2
191.07150	5.2
199.04041	1.7
200.04893	1.3
201.05573	3.9
202.02681	5.7
204.04362	1.9
205.04988	1.2
217.05077	8.5
219.06604	15.1
220.07027	0.9
233.00960	0.8
325.07193	6.7
337.07303	2.4
349.07285	1.9
355.07864	0.8
367.08310	5.3
385.09357	64.3
385.13263	28.7
386.09177	4.7
386.13693	2.6
396.43103	0.8
458.15836	0.9
503.32730	4.3
521.33728	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	607.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62384	1.8
55.01863	2.5
57.03448	3.1
59.01380	45.4
61.98825	2.4
67.01888	14.0
69.03428	2.5
71.01380	33.3
71.67846	1.8
72.99258	1.8
73.02943	26.3
81.03417	2.1
83.01392	7.9
83.05020	4.8
85.02949	9.3
85.41692	1.8
87.00876	47.6
88.00411	2.8
89.02434	16.6
93.03452	14.0
95.01386	3.1
98.19841	4.8
98.64394	1.8
99.00871	4.0
101.02442	21.6
105.01917	2.3
108.02185	4.9
109.02969	5.7
111.00898	4.2
111.04454	1.9
113.02435	13.6
119.03518	6.1
119.05024	96.9
120.05359	3.8
121.02961	7.4
123.00848	2.3
123.04485	2.8
123.15303	2.3
124.01652	2.1
125.02437	4.7
131.33138	1.6
133.02914	2.0
136.01649	14.9
136.76384	1.6
137.02448	33.1
143.03516	2.9
145.02959	3.2
147.04495	3.1
151.04010	26.1
159.04501	11.9
160.05286	15.7
161.04521	6.3
161.05904	4.9
162.03307	2.3
163.04004	55.3
174.03131	2.3
175.03940	2.0
175.07597	7.4
182.07721	1.8
187.04027	17.0
188.04730	16.1
189.05577	27.1
191.05576	2.8
209.11810	66.7
229.96782	2.5
235.08150	5.6
252.34233	1.9
270.62418	1.9
281.06717	27.7
283.15494	5.9
296.06686	6.7
301.03116	2.1
311.09253	33.0
312.09760	2.1
341.10300	10.0
359.11130	10.1
385.18646	5.7
397.13474	30.5
415.14551	16.0
445.11356	100.0
446.11765	5.5
521.16583	7.0
547.23962	35.2
563.17700	94.5
563.25983	1.7
564.17999	7.3
607.14246	2.2
625.02625	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	606.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.5
61.98829	100.0
69.48296	0.9
69.48701	0.6
146.58449	0.2
191.05711	0.3
200.68721	0.3
210.35109	0.2
459.80502	0.3
465.69049	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94337	1.3
57.03440	1.4
58.02966	4.1
59.01374	9.8
65.81106	1.5
71.01380	7.6
71.23700	1.6
71.54121	1.3
73.02920	1.9
76.72030	1.6
85.02959	4.1
88.32714	1.5
89.02431	4.3
93.03436	1.8
96.16617	1.6
96.95979	1.8
101.02436	3.9
111.00922	1.9
113.02460	2.4
115.16734	1.7
119.05046	2.4
125.02430	3.9
137.02319	1.8
147.04507	8.2
149.04550	1.8
151.00340	2.2
153.01900	6.2
163.03940	1.7
164.07166	18.4
179.05711	2.0
180.12146	1.9
181.01405	14.1
182.02203	100.0
183.02611	2.3
184.66034	1.5
191.05608	6.4
195.02972	3.3
196.03815	3.4
197.04539	80.1
198.04901	2.8
206.08217	29.6
209.11803	6.8
239.05473	1.8
279.30038	1.6
306.07687	2.2
313.77438	1.6
359.09909	15.6
365.63013	1.6
397.13336	2.9
401.10834	63.0
402.11270	4.3
415.14841	2.8
454.08304	5.3
527.11200	1.7
547.23767	2.6
563.15771	5.2
563.26489	2.6
597.82916	1.9
607.16931	2.7
609.44513	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	605.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.0
61.98842	1.5
94.58717	0.6
156.57697	0.7
173.29683	0.6
179.82588	0.8
189.37302	0.6
415.15451	0.9
416.16205	0.8
427.20462	0.8
430.18140	1.2
445.20728	0.9
457.20261	1.6
459.17627	3.2
471.18494	1.5
472.19373	1.1
473.19656	4.6
485.18991	1.1
485.24167	0.9
486.20822	4.3
487.21075	1.3
499.17599	2.4
501.22910	2.8
511.20996	2.9
513.19330	2.4
514.20135	6.6
515.19873	1.3
518.19299	1.2
519.24396	1.0
529.22424	100.0
530.22803	13.7
532.21222	1.7
533.21783	1.7
561.25214	1.0
573.21558	1.0
605.24554	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
57.03432	3.0
58.00581	4.4
59.01377	92.1
60.01708	0.7
61.98828	4.0
68.46397	0.7
71.01378	55.1
72.99301	5.7
73.02935	3.0
83.01373	3.0
85.02946	20.3
87.00862	3.0
89.02441	58.7
94.97440	0.8
95.01405	4.7
95.01923	1.0
98.93369	0.9
99.00878	1.1
101.02439	36.0
108.02181	9.7
109.02959	0.9
113.02444	20.9
115.91151	0.9
119.03495	25.1
119.04866	1.2
123.04514	12.1
123.08105	1.1
125.02370	1.1
129.01962	2.2
131.03488	2.6
134.03696	1.9
135.04504	1.0
136.01649	25.1
137.02374	3.5
143.03461	4.0
147.02931	1.1
147.04556	1.0
149.04512	2.8
151.04004	55.9
152.04329	2.4
156.91757	0.8
158.03690	1.2
159.04500	1.9
160.05292	1.0
161.02504	1.1
161.04581	4.1
161.05814	0.9
162.03186	5.2
163.03960	1.7
171.04512	0.9
172.05280	1.5
173.06010	2.8
177.05565	6.2
179.05606	7.0
186.03177	2.1
187.03967	2.5
188.04643	2.4
189.05408	1.2
190.06268	2.6
191.01929	3.2
191.05493	1.4
193.04993	2.2
195.06598	1.1
199.03981	0.9
200.04701	1.1
201.05559	2.0
202.06316	1.5
203.07130	4.7
207.03000	0.8
209.03009	0.8
233.00768	1.0
278.57819	1.1
280.07330	1.2
291.06686	0.9
292.07474	1.0
293.08136	1.6
294.08878	0.9
307.05988	1.2
307.09540	1.4
308.06870	1.8
323.09207	11.4
324.09555	1.1
329.13934	3.2
337.10812	1.7
338.11600	30.8
339.11996	4.4
395.06161	1.0
407.18604	100.0
408.18869	9.3
425.19785	1.8
459.15033	3.5
473.25864	1.4
501.30673	1.1
587.25208	5.4
605.25952	41.9
605.95117	0.9
606.26440	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	605.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
57.03453	0.8
58.00615	0.6
59.01377	17.2
61.98820	0.7
67.01928	0.4
71.01382	13.9
71.21233	0.7
71.21594	0.4
72.99310	1.1
73.02950	2.7
83.01365	2.4
85.02951	5.9
87.00861	0.9
89.02452	8.4
95.01428	0.9
96.96026	1.7
99.00898	0.7
101.02450	11.1
111.00906	1.0
111.04522	0.4
113.02457	6.2
115.01868	0.4
117.03494	1.0
119.03510	3.8
123.04599	0.5
125.02467	0.6
129.08278	0.3
131.03488	0.4
132.02180	1.7
133.02962	30.8
134.03329	0.6
135.04533	5.6
149.02440	0.7
161.02444	100.0
162.02791	3.0
167.03415	0.4
171.11717	0.6
179.03520	2.3
193.05096	0.7
205.83722	0.4
219.13878	0.9
224.48454	0.4
236.91920	0.4
237.15031	0.4
327.12546	1.1
339.12460	0.9
443.19202	49.3
444.19620	4.3
561.23438	7.0
562.23853	0.8
587.21405	0.6
605.22430	62.8
606.22717	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	605.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73544	0.6
61.98847	1.0
71.54787	1.2
98.83624	0.7
108.58315	0.7
109.66384	0.7
110.85744	0.9
248.97443	0.7
251.20139	1.0
337.50955	0.8
443.18762	0.9
457.20377	1.8
459.18430	2.4
471.18405	1.5
472.19159	0.9
473.19788	4.3
474.20337	0.8
485.19925	3.0
486.20883	3.5
499.17624	1.8
501.23572	1.6
511.21350	2.6
513.19312	2.5
514.20056	5.9
518.19794	1.1
529.22455	100.0
530.22675	10.5
532.21088	1.3
533.21857	2.2
561.25177	1.3
573.21472	1.2
605.23920	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	22.7
59.09497	1.3
61.98827	2.0
62.64852	1.5
62.69716	1.6
65.96520	1.3
71.01389	11.3
71.54258	2.2
73.02940	17.0
83.01375	3.9
85.02962	4.1
86.42600	1.5
89.02435	2.7
93.03497	2.0
101.02418	12.7
110.82421	1.4
113.02428	4.1
118.73736	1.7
121.02946	3.4
130.85881	1.4
133.02887	1.5
143.94789	1.4
145.02959	2.5
161.02426	5.1
161.04549	2.7
163.03979	2.0
163.07063	1.7
175.03947	9.4
190.06366	4.2
191.05531	2.8
203.03458	5.1
218.05801	5.9
222.05278	3.1
233.08116	8.0
235.07628	1.7
239.07208	1.9
242.56987	1.5
251.09329	1.8
253.08688	2.6
263.07144	4.2
267.06845	2.6
269.08099	5.3
279.06555	6.2
281.08157	8.5
282.08768	1.6
283.09610	4.6
293.08047	1.9
294.08969	7.8
296.10526	2.3
297.07693	31.2
298.08188	2.2
308.10281	2.4
309.07639	44.9
309.11221	11.0
310.08191	1.9
312.10037	34.5
313.10129	1.8
323.09232	7.8
324.09964	29.6
327.12341	100.0
328.12692	5.6
339.12332	74.7
340.12625	6.5
343.09561	1.7
383.11353	6.8
443.19547	2.3
605.18658	17.8
606.18958	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23020	1.3
57.03416	1.7
58.94307	1.4
59.01379	54.5
61.98835	3.4
69.78503	1.5
69.79097	8.5
71.01376	16.6
73.02948	31.2
77.30538	1.6
83.01396	7.8
85.02936	10.9
89.02427	4.4
93.03515	1.7
94.00954	1.7
97.10699	1.6
98.20684	1.9
101.02431	26.3
108.02168	4.8
111.00899	2.3
113.02442	10.7
119.03528	2.6
119.05058	2.0
121.02940	2.7
122.03703	4.5
123.00838	1.7
123.04499	5.2
125.02461	2.9
129.01910	1.7
131.03500	3.1
134.03729	1.5
136.01666	62.3
137.02428	2.2
139.94821	1.9
143.03467	4.2
147.03011	1.6
149.04520	4.7
149.05858	1.9
151.04012	83.1
155.03503	1.5
161.04587	8.4
191.03503	2.7
193.04858	1.8
203.07108	3.9
205.05257	1.6
221.06735	3.6
233.04488	2.2
254.30548	1.9
279.06650	2.2
309.11252	9.8
311.12506	1.9
312.10129	2.0
327.12482	2.3
339.12299	7.0
342.11050	4.6
357.13416	100.0
358.13733	4.7
531.19403	1.8
543.18353	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03447	0.7
58.00596	1.7
59.01381	90.8
60.01722	0.5
61.98856	0.6
64.48424	0.3
66.08725	0.4
68.99805	0.4
69.03459	2.0
71.01383	53.0
71.55089	0.5
72.99320	2.2
73.02948	94.6
74.03294	0.9
75.00877	0.8
81.03457	0.5
83.01389	26.7
85.02956	6.8
87.00858	1.9
89.01929	0.7
89.02449	8.9
89.69440	0.3
93.03418	0.6
95.01392	1.8
97.02958	1.2
99.00884	1.4
101.02444	57.8
102.02791	0.7
107.01395	0.5
107.05041	1.1
111.00887	1.5
111.87303	0.4
113.02448	12.9
115.05527	0.5
119.03471	2.6
121.03028	1.0
123.00896	1.5
125.02438	2.5
128.94768	0.4
131.03528	4.2
131.05005	1.9
133.02966	0.9
134.03737	0.5
135.04510	1.5
138.03238	1.5
143.03499	3.5
147.04518	1.6
149.02412	0.7
149.04535	4.8
151.00342	0.4
153.05557	0.7
155.03476	1.9
159.04518	5.2
159.25471	0.4
161.02527	0.6
161.04562	9.1
164.01147	0.6
164.04771	0.5
166.19145	0.4
171.26434	0.4
175.04019	4.8
176.01157	0.6
177.05559	1.1
180.04401	0.5
187.04016	1.1
188.01149	1.5
193.05028	0.8
195.06746	0.5
203.03516	29.7
203.05513	1.0
204.04169	2.3
205.05176	0.4
217.04991	0.5
218.05840	35.7
219.06425	2.4
221.04581	3.1
221.06458	0.6
223.06161	1.2
223.13416	0.6
233.08185	39.2
234.08464	2.0
236.06906	5.0
250.04849	1.0
250.65941	0.4
251.07028	0.6
251.09277	4.5
277.04904	0.6
279.06726	0.8
305.04788	0.4
306.05234	1.1
307.05957	1.5
309.07700	1.2
323.05914	0.5
325.07196	2.7
335.05591	3.2
341.10150	0.5
353.06610	10.8
353.09839	0.4
353.78168	0.4
354.07230	0.4
368.09000	10.3
369.09164	0.9
383.11346	43.3
384.11697	2.9
399.16449	1.2
401.12115	1.1
455.15445	1.1
545.16498	2.4
546.16907	0.4
561.32550	0.8
563.17670	14.5
564.18140	1.3
575.13635	2.2
590.16449	6.1
591.16895	0.9
605.18756	100.0
606.19135	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	605.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
55.60006	0.4
57.03431	0.5
58.00605	1.6
59.01377	93.8
60.01722	1.0
61.42456	0.4
61.98845	0.6
69.03450	1.7
71.01379	52.1
72.99308	1.8
73.02943	100.0
73.90249	0.4
74.03277	0.8
75.00882	1.4
77.59972	0.5
79.30874	0.5
81.03477	1.4
83.01384	23.7
85.02950	6.2
87.00884	1.8
89.02441	7.9
95.01378	1.4
97.02952	1.5
98.20632	1.3
99.00883	2.1
101.02439	58.1
102.02784	0.7
107.05036	1.2
111.00893	1.2
113.02444	11.0
115.05544	0.6
119.03512	2.9
121.02976	0.6
123.00889	1.2
125.02457	3.0
131.03513	3.4
131.05045	1.2
133.02975	0.7
135.04533	1.4
138.03232	1.6
143.03470	3.1
147.04536	2.0
149.04530	3.0
151.00279	0.6
153.05583	0.8
155.03496	1.8
158.03654	0.5
159.04532	3.6
159.90842	0.5
161.02480	0.9
161.04535	7.2
174.63655	0.5
175.04001	5.0
176.01176	0.5
177.01877	1.1
177.05568	1.3
178.02573	0.5
179.05719	0.5
180.04234	0.8
187.03990	1.0
188.01146	1.0
195.06686	0.8
203.03500	32.9
203.34213	0.4
204.04100	3.1
207.08040	0.5
218.05827	36.7
219.06342	2.4
221.04604	3.2
221.06499	0.8
222.05186	0.9
233.08173	36.1
234.08595	1.9
236.06841	2.9
244.71703	0.5
250.04942	1.4
251.09212	4.5
253.27477	0.5
255.06290	0.5
277.05283	0.5
279.06650	1.3
306.05267	0.8
307.06195	1.5
309.07642	1.1
325.07220	2.7
330.60889	0.4
335.05447	2.8
351.08313	0.5
353.02194	0.5
353.06628	11.2
368.08896	8.5
369.09341	1.0
383.11316	39.0
384.11710	3.2
400.13510	0.5
401.12198	0.8
455.15399	0.5
545.16559	2.4
563.17670	12.5
564.17633	0.6
575.14380	1.5
590.16486	5.7
591.16595	0.8
605.18756	87.4
606.19049	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	605.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55238	0.8
55.01882	5.0
57.03450	14.0
59.01379	10.3
61.98831	8.0
62.11873	0.8
67.01894	7.2
69.03436	1.3
69.18862	0.9
69.74118	1.6
69.74518	2.9
71.01377	8.5
72.99299	1.6
73.02943	2.9
75.00858	1.6
81.03431	1.6
83.01389	31.2
84.02166	2.8
85.02953	100.0
86.03260	2.2
87.00858	2.6
89.02441	2.7
89.03968	1.6
93.03468	1.7
95.01376	1.8
96.96000	1.6
101.02431	4.2
109.02963	2.1
111.00886	90.5
112.01176	1.6
113.02443	4.1
117.03452	4.7
119.01373	1.0
119.04984	2.8
121.02954	5.1
123.04493	1.9
125.02458	4.3
129.00967	2.1
129.01944	43.3
131.03519	1.0
132.02150	3.1
133.02931	1.3
134.03745	49.4
135.04526	2.5
137.02505	4.4
139.03917	1.1
143.03487	1.6
145.02962	2.2
147.03050	1.7
147.04489	2.2
149.02444	23.8
149.06078	5.4
151.03981	2.3
152.01242	1.2
153.05592	1.5
154.99834	1.7
159.04465	1.2
160.01674	18.1
161.02467	4.9
161.04567	9.4
163.04001	3.3
164.04817	16.8
165.05566	1.4
167.03516	2.2
173.00925	1.6
173.05885	0.9
175.00378	8.4
175.04005	25.8
176.01158	1.3
176.04494	1.5
177.01892	4.1
177.05513	1.3
178.02641	1.5
179.03433	2.2
179.05675	1.8
179.07082	5.1
183.10248	1.1
187.02518	9.6
187.03989	1.4
189.05524	2.1
190.02725	21.1
191.01895	1.7
191.03432	2.9
191.05537	1.7
193.05049	53.4
194.05360	2.2
199.03938	1.3
201.05476	1.1
202.06236	1.3
203.03500	1.4
203.10727	1.2
205.03465	20.9
205.05070	24.4
207.02974	1.0
208.03668	1.7
209.04543	1.5
215.03499	2.1
217.05009	1.8
217.08673	3.4
218.05820	1.3
223.04468	10.6
223.06134	18.6
232.07339	1.5
233.04492	3.9
233.08154	2.4
243.06468	1.0
247.09810	1.3
248.06804	2.1
258.05283	1.2
261.07666	10.8
263.09213	4.1
273.07712	3.0
276.06149	1.1
291.08740	17.3
309.11337	1.1
335.07944	1.4
337.09241	5.4
367.10309	2.3
381.08148	2.3
399.09143	5.5
402.60724	1.2
429.10239	4.8
605.14130	1.2
605.23517	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	604.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85645	1.1
54.04663	1.0
57.03435	1.9
57.70266	1.0
61.98833	21.8
68.99834	2.8
69.46526	7.4
73.72707	1.1
78.31454	1.2
78.95944	1.5
85.32262	1.0
114.05582	4.0
123.04510	2.5
125.02473	1.4
130.08740	1.3
141.07088	1.4
156.10298	1.9
158.03830	1.1
159.04564	5.8
160.01817	1.9
167.05038	1.3
173.02383	2.4
173.06097	1.8
183.04491	3.4
184.05211	1.5
185.06024	2.5
186.03217	1.7
187.04037	8.7
188.01151	3.8
189.01761	1.1
195.04483	4.2
196.05409	1.2
197.06033	4.0
201.01970	4.1
201.05539	2.6
204.04276	1.5
205.59413	1.2
209.06033	4.0
209.09662	6.4
211.03967	10.9
211.07605	1.4
212.04707	9.3
213.05486	2.1
213.09204	1.2
215.03494	12.9
217.06532	1.8
225.05536	1.7
225.09146	1.7
227.07072	4.2
229.04994	3.6
233.04617	1.4
235.07680	4.9
237.09274	3.7
239.03430	2.1
240.04182	3.2
253.04929	1.4
253.08757	2.3
255.06583	4.1
263.07062	6.5
284.16565	1.8
297.52521	1.2
324.15915	5.0
325.16309	1.6
328.15527	6.4
334.14212	1.5
350.13892	2.3
352.15555	8.6
368.14981	7.9
378.13504	1.8
382.16690	2.7
396.14484	42.4
397.14853	2.9
410.16064	1.8
411.16867	100.0
412.16968	7.6
439.16333	35.0
440.16653	4.3
530.17896	2.0
545.20416	1.9
560.22827	5.4
576.22418	17.7
577.22821	1.8
604.21857	59.1
605.22119	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	605.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56292	2.9
55.01854	3.5
57.03430	10.4
59.01380	38.8
61.98822	14.0
64.75963	2.6
67.01886	16.8
69.22215	26.5
71.01390	25.1
73.02959	21.5
76.31510	2.4
77.88263	2.7
80.30556	2.4
81.20291	2.5
83.01379	11.9
85.02950	85.3
88.98788	3.3
89.02426	5.9
93.03465	5.8
95.01402	3.4
96.95987	12.5
97.02959	2.6
98.19936	6.5
101.02454	11.3
108.02178	7.9
109.02959	17.5
109.03580	3.2
111.00868	9.5
112.55072	2.7
113.02453	5.8
116.92857	4.7
117.16974	2.8
119.04987	7.0
121.02948	15.0
122.03806	3.1
123.00896	3.3
123.04528	5.8
124.01681	2.9
125.01093	2.7
125.02431	5.4
129.01952	28.4
133.02945	3.5
134.03737	7.2
135.04532	4.0
136.01593	5.4
137.02429	10.8
143.05042	5.3
145.02933	8.1
146.03699	5.1
147.02960	7.6
148.05344	3.1
148.06891	3.0
149.02473	2.6
149.06056	10.6
151.03999	4.3
153.01968	2.8
159.04532	34.8
161.02419	6.5
161.04741	3.2
161.06065	52.1
163.03981	7.6
163.07620	8.1
165.01889	12.5
165.52110	2.7
167.03494	12.2
171.04442	4.8
173.00920	7.1
173.04631	5.0
173.06026	32.3
175.07614	8.4
176.04727	4.3
177.02054	3.7
177.05550	45.7
178.00964	2.9
179.03473	4.7
187.03975	9.1
188.04767	4.9
189.05579	67.5
191.01932	21.9
191.03448	6.2
191.05568	3.9
191.07146	11.3
193.03279	3.3
193.05086	6.8
197.04538	7.7
201.05525	3.5
205.05066	5.9
207.06656	4.7
219.06602	7.5
223.04417	3.3
244.09776	10.1
279.06567	2.9
281.08121	3.4
309.07721	22.3
321.07602	6.6
327.08597	11.2
337.46362	2.6
339.08780	19.8
341.04779	3.1
357.09763	100.0
358.10349	4.5
501.14136	4.4
519.14880	6.1
561.16046	73.1
562.16290	6.6
605.15753	10.8
605.24719	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	605.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35708	1.2
57.03437	4.1
59.01104	2.1
59.01385	23.6
61.62100	1.4
61.98837	17.3
69.24430	11.6
69.33171	1.3
69.47815	1.3
71.01389	12.3
73.02953	14.3
73.23656	1.3
74.06005	1.2
75.00845	1.3
83.01386	6.2
85.02956	19.5
87.00900	2.3
89.02448	3.2
91.05553	1.4
93.03439	3.6
96.96015	4.9
97.38137	1.2
98.20610	2.4
101.02445	10.7
105.07097	1.3
108.02177	6.6
109.02949	12.8
111.00899	6.5
113.02476	4.1
117.07159	1.4
119.05031	2.3
121.02972	8.7
123.04530	3.3
124.01627	1.3
125.02439	3.2
129.01955	4.8
131.05099	1.4
134.03741	4.8
135.04550	13.5
135.08188	3.0
136.01685	4.1
137.02434	8.0
143.03603	1.9
143.05022	5.0
145.06590	3.2
146.03757	8.2
147.02934	1.5
147.04501	2.9
148.05331	3.5
149.02513	2.6
149.06093	8.4
155.03568	1.5
155.05061	4.3
158.03732	2.2
159.04514	41.4
160.04916	1.5
161.02443	4.1
161.04761	2.2
161.06088	46.2
161.07455	2.5
162.06509	1.7
163.03995	2.1
163.07663	7.2
164.04715	1.9
165.01939	12.6
167.03484	2.9
171.04539	6.9
172.05281	3.8
173.04599	1.3
173.06078	31.6
175.03989	3.6
175.07631	11.2
176.04836	3.4
177.05582	42.5
179.03506	13.2
179.05717	1.4
179.07140	4.8
185.62108	1.2
187.04056	7.6
189.05580	33.7
191.01976	3.5
191.05617	2.5
191.07153	14.1
193.05043	4.6
201.05568	1.6
203.03494	4.4
205.05025	4.4
207.06575	3.0
218.05843	5.1
218.85709	1.5
219.06566	7.0
223.06125	2.2
233.08203	4.8
281.08081	3.2
309.07709	30.6
309.10992	1.3
310.07919	1.6
321.07596	7.6
327.08694	12.3
335.07721	3.3
339.08679	17.8
357.09787	100.0
358.10141	5.0
383.11374	6.6
383.15793	1.4
443.20370	1.4
501.13971	7.5
519.15204	8.5
561.16071	18.4
563.17676	2.8
605.17767	15.0
605.27118	4.0
606.20679	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
55.94696	1.0
60.99305	17.6
61.98823	1.6
71.01340	1.1
78.95900	1.0
87.00869	2.8
87.49873	0.8
88.00406	6.8
88.98804	100.0
89.02442	50.4
96.79063	0.9
98.33245	0.8
233.44937	1.1
270.74704	1.3
277.21643	1.7
362.98740	1.0
376.42645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03443	2.3
59.01379	41.1
61.98829	9.2
62.71908	1.1
69.03446	1.6
69.21651	10.6
71.01382	11.4
72.99332	1.1
73.02940	2.3
75.00870	1.3
80.02649	1.3
81.03451	2.1
82.94444	1.0
83.01381	2.9
83.05016	2.1
85.02961	1.4
87.00874	2.0
89.02441	9.4
90.85110	1.1
91.00641	1.4
92.57905	1.1
95.05006	1.2
97.02977	1.7
97.06599	4.2
98.19852	2.3
101.02443	11.6
106.04227	1.4
111.73731	1.0
113.02433	5.0
115.92075	5.2
116.92853	2.0
119.03448	1.3
123.04517	3.9
123.08165	1.3
125.09749	5.4
133.62463	1.0
135.08176	1.7
137.06030	1.4
137.09718	3.7
161.04530	6.0
163.07536	1.1
163.11317	5.6
165.12881	2.6
171.10268	3.2
177.12749	1.1
179.05518	2.0
179.10849	1.2
181.12343	1.6
185.11813	9.6
191.05679	1.4
191.14421	10.2
207.10268	3.9
209.11810	31.8
210.11951	1.7
211.13336	1.7
225.11295	2.7
237.11285	4.0
245.19032	19.6
246.19479	1.5
253.06659	2.4
253.09282	41.1
254.09529	1.7
263.20160	4.8
271.16962	4.4
289.18082	100.0
290.18500	6.5
307.19135	99.1
308.19455	6.4
317.84589	1.2
543.28302	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.4
60.78503	1.6
60.99305	17.2
61.98827	2.8
65.12538	1.4
71.54092	2.5
75.83173	1.6
76.37655	1.5
77.26836	1.6
78.95892	4.4
85.21968	1.6
88.00401	6.2
88.98804	100.0
89.02440	41.5
96.95998	3.0
109.18420	1.5
127.78316	1.8
147.55000	1.7
294.13699	1.6
305.86740	1.7
573.32629	1.8
595.43561	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03963	0.9
51.77186	0.8
57.03452	1.1
58.00591	2.1
59.01380	55.4
61.98824	5.8
63.26919	1.0
71.01379	41.3
71.55066	1.5
72.99300	4.1
73.02956	1.7
83.01392	1.5
85.02959	6.4
87.00861	3.5
89.02444	32.9
95.01385	6.0
97.04438	0.9
101.01798	1.5
101.02441	22.1
101.06109	0.9
103.00400	1.2
104.71617	0.9
107.01354	1.1
108.02175	2.1
110.65966	0.9
111.00859	2.4
113.02443	13.5
115.92075	1.2
119.03497	14.8
121.02966	1.7
123.00880	18.4
123.04456	1.5
125.02474	1.3
131.03473	1.1
136.01656	29.4
137.02399	1.1
138.03198	1.6
143.03485	2.6
149.02429	1.5
151.04001	29.7
152.04330	1.2
159.04460	2.0
160.05315	1.6
161.04535	2.3
161.05830	1.3
162.03204	9.6
171.04378	1.2
175.03979	1.5
177.05563	13.5
179.05611	11.6
181.01530	0.9
187.04007	7.3
188.03125	1.3
188.04788	23.1
189.05525	3.5
191.05545	2.2
193.05043	1.3
203.07132	40.3
204.07440	1.7
221.08066	1.7
231.06631	1.3
309.07669	1.8
313.10767	1.9
325.10873	2.3
341.10278	1.7
353.10327	1.2
354.11026	5.1
355.11792	2.5
373.12793	5.4
383.13437	2.7
401.12357	1.6
423.18289	1.6
533.16321	1.1
534.17432	21.3
535.18079	3.8
603.24414	100.0
604.24670	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	603.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.4
59.01374	18.1
60.22401	1.4
61.98833	2.7
66.45561	1.2
69.03444	2.5
69.29483	8.9
69.29893	2.6
71.01377	12.0
73.02943	17.9
83.01363	2.7
85.02957	3.1
87.04493	1.4
89.02434	9.9
93.03512	1.3
97.02958	1.5
97.06631	1.5
99.04495	1.5
99.17020	1.5
101.02431	5.5
109.06590	2.0
111.04499	2.3
113.02425	2.2
125.02476	1.9
125.06082	3.0
131.03494	4.7
133.10159	1.6
134.03632	1.8
135.08110	1.6
135.11804	14.8
145.08626	1.7
149.03362	2.3
149.04555	46.1
159.08127	1.7
159.11746	2.0
161.09709	10.5
175.11351	1.8
177.12811	5.7
179.10770	100.0
180.11092	2.9
191.05548	3.8
193.12332	2.3
203.05579	1.9
203.10724	2.3
205.08675	4.1
221.11794	5.2
223.07570	2.9
223.09749	57.7
224.10046	1.6
233.11693	1.4
265.10815	13.6
355.13928	33.9
356.14471	1.6
397.14801	1.9
427.16010	4.5
517.19043	1.7
559.20306	44.9
560.20679	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	603.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03457	2.0
58.00595	2.0
59.01379	100.0
60.01731	0.6
61.98838	2.8
69.03474	0.9
71.01382	43.2
71.54819	0.4
71.55215	0.5
72.99315	2.9
73.02950	19.1
83.01380	6.4
85.02951	12.7
87.00874	2.8
89.02446	30.4
93.03475	0.6
95.01379	3.9
96.96010	3.3
97.02998	0.7
98.95610	2.0
99.00909	1.9
99.92603	2.4
101.02445	30.0
103.04056	0.4
108.61615	0.5
109.86450	0.5
111.00870	0.9
113.02454	24.7
114.02856	0.6
115.03995	0.4
115.92070	4.8
116.92859	14.5
119.03502	13.1
125.02455	1.6
129.01984	0.7
131.03494	4.0
133.81416	0.5
135.04572	0.5
143.03494	4.0
149.04550	12.9
149.05696	0.8
161.04568	8.1
173.00952	0.5
175.57593	0.4
179.05621	6.1
191.05688	1.3
196.74272	0.4
221.06776	0.6
223.09779	0.9
341.19736	0.5
369.83679	0.5
385.18692	1.4
427.19705	35.5
428.19931	3.0
499.29257	1.1
517.23346	1.0
517.30188	0.7
526.22314	0.6
533.17548	0.6
543.28119	17.0
544.28754	1.6
559.23999	16.8
560.24640	1.9
561.29114	11.9
562.29639	1.5
603.16870	3.3
603.32080	0.8
604.17218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04634	0.4
61.98831	100.0
63.91503	0.4
70.81199	0.8
78.95921	0.9
87.13776	0.4
108.30000	0.3
171.10417	0.4
191.16071	0.4
278.75229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30619	0.5
52.04793	0.6
56.31784	0.5
61.98830	100.0
68.97132	0.5
71.54481	0.5
95.08111	0.5
96.58434	0.5
154.32185	0.5
180.93054	0.6
415.41180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.0
60.16771	1.4
60.63916	1.2
61.98829	4.7
69.03474	1.7
70.97127	1.9
70.97485	2.7
71.01387	10.7
73.02939	14.7
83.01377	2.4
83.05031	1.9
83.74461	1.1
85.02927	4.0
87.00886	1.9
87.04520	2.2
89.02436	10.1
97.02956	1.8
101.02442	5.6
107.47015	1.3
109.06585	2.9
113.02474	2.6
119.07420	1.4
125.02449	1.3
125.06094	1.8
131.03473	5.1
133.10199	2.0
135.04500	2.4
135.11795	17.9
143.03526	1.7
149.04541	35.8
150.31155	1.2
159.08136	2.0
159.11824	2.8
161.04611	1.8
161.09718	11.9
175.11310	1.4
177.12860	2.8
179.03410	2.7
179.10768	100.0
180.11064	4.2
191.05600	3.6
193.12320	2.3
203.10745	3.0
204.03340	1.3
205.08710	3.1
221.11841	7.1
223.09749	74.6
224.10117	3.5
265.10742	10.8
281.08844	1.2
355.13974	31.5
356.14304	2.8
427.16019	11.1
559.20276	33.8
560.20618	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	600.296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49930	0.7
58.02714	0.8
58.02977	11.8
59.01378	6.0
60.01711	0.7
61.98827	2.8
66.03489	1.7
69.24490	5.0
69.24914	1.5
71.01379	3.2
71.56826	0.6
72.00901	1.0
72.75338	0.7
74.02471	22.9
75.23985	0.7
77.43810	0.7
80.03787	0.9
80.10777	0.6
81.04576	2.5
82.02982	3.3
84.04530	0.9
85.02959	1.7
85.04082	0.7
86.02464	9.4
86.06103	1.7
87.05645	4.2
88.04039	0.8
89.02452	1.7
95.01353	0.7
97.04067	2.3
99.05036	1.3
99.05641	20.3
100.26717	0.6
101.02423	1.7
101.07212	4.4
102.05615	3.7
107.06106	2.0
109.04068	3.8
109.07700	1.2
111.05631	2.0
112.04030	2.1
116.01738	1.2
123.05647	2.9
124.04054	0.9
125.03573	2.8
127.05157	3.9
128.03540	53.8
129.03894	0.9
135.05653	7.8
137.02428	1.1
137.07237	0.9
141.06677	2.8
143.04622	71.5
144.04918	1.1
145.06181	2.7
146.04587	6.1
149.07146	0.7
153.06699	5.5
155.08261	1.2
166.09836	3.0
167.04575	2.8
167.08266	5.7
170.03287	0.8
171.04060	0.9
177.94048	1.0
179.04611	19.1
181.06201	2.2
184.10962	1.0
185.05632	1.7
192.07779	2.1
193.06148	0.9
197.05663	3.1
210.08818	16.7
218.05846	0.7
219.06128	0.8
228.09953	1.2
236.06793	0.8
254.07817	35.8
255.08023	1.6
272.08868	60.2
273.09122	1.9
273.30756	0.8
275.19901	1.0
293.21271	4.9
327.19971	9.4
341.21545	0.7
357.97040	0.7
391.83707	0.7
471.25305	8.7
472.25464	1.4
492.65384	0.7
537.78235	0.7
563.17560	4.6
564.17944	7.8
582.28571	13.4
600.29584	100.0
601.29913	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	600.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31507	5.3
50.42012	5.0
50.64186	4.7
61.98833	100.0
66.57247	5.2
71.46164	10.2
72.16334	5.4
72.21930	5.0
88.50753	5.3
106.08937	5.5
124.16289	5.1
213.36275	5.5
300.93231	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	602.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.8
61.98832	100.0
71.55237	0.8
76.07367	0.5
77.86323	0.5
129.32239	0.6
129.63422	0.5
153.34071	0.5
261.14673	0.6
485.08716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.7
61.98829	0.9
63.30974	0.4
67.01873	3.0
69.48643	1.4
69.49059	1.6
70.94799	0.6
71.01362	0.8
71.92119	0.6
76.40430	0.4
78.91891	0.4
79.05556	0.7
81.03440	1.9
85.02934	1.1
85.67573	0.5
93.03449	2.5
96.95982	0.8
105.03447	0.6
105.07091	2.0
107.04969	0.7
111.00910	0.5
117.03461	14.2
118.03815	0.7
119.05029	7.4
119.08635	0.5
121.02895	0.5
122.03735	1.1
123.04536	8.5
124.07635	1.0
125.02457	0.9
126.05611	8.4
131.04990	2.5
133.06569	1.9
135.04524	3.0
136.05276	2.2
137.06082	2.9
145.02950	54.6
146.03313	1.5
147.04501	2.5
149.02431	6.1
149.06087	12.6
150.03085	0.5
157.06561	1.4
158.07594	0.5
159.04497	1.5
160.05208	0.8
160.07684	0.8
161.06058	8.2
162.03259	0.7
163.03989	6.8
163.07632	5.2
167.03494	17.0
168.03722	0.5
172.07710	0.8
173.00949	0.5
175.03986	10.8
175.07628	6.6
176.04364	0.7
179.03477	1.3
187.03925	0.8
188.04756	0.8
188.10863	3.8
189.05563	3.1
191.03427	2.2
191.05434	0.6
193.05054	4.4
201.05569	1.2
205.05040	6.4
206.05659	0.8
206.11847	17.7
207.06619	5.4
207.12097	0.7
219.06548	2.6
230.08195	1.1
232.09758	14.3
233.10149	0.6
235.06096	1.6
245.04568	0.5
250.10828	4.6
276.08786	4.7
294.09747	2.8
307.08246	4.6
355.10312	0.6
412.15863	1.2
456.15115	2.6
457.15018	0.7
475.12372	12.4
476.12405	1.0
487.12469	2.1
501.13947	7.7
511.21637	0.5
558.19794	4.8
602.18732	100.0
603.19049	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	600.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	16.8
61.10540	0.5
61.98830	100.0
63.70967	0.6
68.10001	0.6
69.32860	1.0
69.33266	3.6
71.01377	4.1
73.02921	2.7
83.01405	1.2
85.02946	0.5
89.02461	1.5
93.03482	1.2
96.95985	0.6
101.02457	2.9
104.90369	0.6
106.04250	1.7
107.05003	0.9
109.00948	0.6
113.02480	1.9
119.05026	4.5
135.04482	0.6
137.06081	56.9
138.06436	1.5
146.26884	0.5
161.04552	1.0
171.10292	1.5
179.05711	0.7
179.07179	2.9
191.05652	1.3
209.11884	1.5
210.12155	0.7
223.92407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.8
61.98829	100.0
69.21958	1.2
69.22369	0.3
71.01388	0.5
78.95949	0.2
85.02953	0.3
86.30866	0.2
89.02460	0.4
96.69337	0.2
101.02441	0.3
113.02454	0.2
134.07425	0.2
138.81641	0.2
149.04532	0.2
150.03189	0.2
162.69284	0.2
165.05574	0.2
191.05586	0.8
195.06676	0.4
234.56871	0.2
242.73749	0.2
457.34314	0.2
534.59161	0.2
538.29749	0.3
539.30170	0.7
540.30225	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	600.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	0.7
59.01382	0.4
60.06482	0.1
61.98828	100.0
65.86624	0.1
71.01379	0.2
71.53904	0.2
84.97820	0.1
133.46208	0.1
135.04510	0.2
149.04565	0.4
164.07216	0.4
172.31654	0.1
179.03593	0.2
189.52080	0.2
191.05583	0.3
201.11290	0.8
202.11609	0.3
206.08212	1.5
251.56845	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	600.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.4
61.98829	100.0
63.82769	0.2
64.55566	0.2
71.01408	0.2
87.97944	0.2
89.02447	0.3
191.05646	0.5
209.04521	0.3
424.11371	0.4
450.09219	0.3
620.93884	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84362	0.5
59.01364	1.1
61.98830	2.7
62.28622	0.4
62.70049	0.4
67.60202	0.4
68.97630	0.4
70.38628	1.2
71.01380	1.9
73.02932	0.9
85.02949	1.2
89.02466	0.8
93.03456	50.5
94.03795	1.2
98.19934	0.4
101.02470	1.1
109.02947	0.5
113.02464	0.8
131.23848	0.4
137.02443	100.0
138.02791	2.3
139.51666	0.4
151.03976	0.5
173.06383	0.6
177.89880	0.4
185.27965	0.5
191.05585	2.1
201.11288	0.6
215.46994	0.5
222.53912	0.4
257.13889	1.2
299.07706	18.8
300.08142	0.6
349.63556	0.5
599.19739	0.5
622.01434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52635	0.3
57.03439	0.4
59.01379	3.6
61.98828	5.1
69.24066	1.6
69.24495	1.4
71.01367	1.1
81.03436	0.4
83.01395	0.8
85.02942	1.1
87.00874	0.3
88.98761	0.3
89.02464	0.6
93.03445	1.5
96.96003	1.0
98.48149	0.3
101.02438	0.4
105.88619	0.3
107.05017	0.4
112.98643	0.5
125.02422	0.4
129.17346	0.3
135.04486	0.5
137.02449	2.2
138.03223	0.8
139.04074	0.4
149.02411	0.5
151.04015	0.5
163.00349	0.6
166.02715	12.5
167.03423	1.0
171.10275	1.8
173.04532	1.2
175.07658	0.4
179.03490	26.0
180.04065	1.2
181.05038	0.4
189.09195	0.9
191.03493	13.4
191.05548	3.5
191.07072	0.3
192.04037	0.4
193.05013	1.4
209.11864	1.2
219.06599	3.2
229.08728	0.7
233.08174	7.7
234.08618	0.4
235.09735	1.3
247.09700	0.5
273.95956	0.4
277.10779	0.7
293.04437	0.3
309.17078	4.0
333.16949	1.7
336.15439	0.5
351.18106	100.0
352.18448	6.5
365.44678	0.4
393.19150	2.8
409.15012	0.6
410.15637	0.4
482.80005	0.4
563.21002	0.8
563.29712	0.5
581.22668	0.7
599.23712	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	599.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77566	0.6
51.84818	0.6
58.00583	1.9
59.01378	36.1
61.98818	3.0
71.01379	20.2
71.55186	1.0
72.99298	2.2
83.01373	1.6
85.02962	4.5
88.98795	0.8
89.01929	1.3
89.02436	14.9
91.34303	0.7
93.03448	1.9
95.01377	1.3
101.02449	10.1
106.58501	0.7
113.02438	7.9
119.03508	6.6
121.02929	0.8
123.00913	0.8
138.68996	0.8
143.03517	1.0
149.04555	0.8
159.04446	1.4
171.10272	3.6
173.04521	1.2
175.04012	1.8
179.05542	1.5
191.05614	2.6
203.03519	9.8
204.04277	1.1
209.11823	2.5
218.05827	10.9
233.08179	8.6
236.06839	1.3
250.04678	0.9
251.09160	1.2
293.84937	0.8
325.07397	1.2
335.05463	1.3
353.06680	3.7
368.08963	4.2
383.11301	8.0
396.02075	0.9
515.16449	0.8
548.15253	1.9
563.17627	100.0
564.17963	9.1
599.24664	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99128	1.0
58.02983	6.9
59.01365	3.5
60.01106	1.0
60.77378	1.0
61.98540	1.6
61.98835	25.0
71.01389	1.2
72.00900	1.2
74.02480	17.2
75.00871	1.5
79.33339	1.0
82.02976	1.2
85.02946	9.3
86.02486	6.0
87.05618	3.1
90.00168	2.1
90.50463	0.9
96.96017	1.1
97.04084	1.7
99.05648	13.1
101.07207	1.5
102.05611	2.5
109.04069	2.2
111.05645	1.5
112.04064	6.9
113.03497	1.1
121.02950	2.1
123.05588	2.1
125.03564	1.6
127.05142	2.2
128.03546	37.1
129.01936	3.3
135.05638	3.0
141.06673	3.7
143.04619	48.1
145.06239	1.6
146.04585	4.0
153.06631	2.4
160.00742	15.8
166.09839	2.4
167.04622	3.4
173.00946	1.4
177.03378	4.9
179.04608	10.8
181.06209	1.9
185.05685	1.5
192.07736	1.7
197.05608	1.8
210.08838	10.2
225.09235	1.2
254.07802	15.1
272.08899	30.8
273.09192	1.4
288.06577	8.4
303.15765	2.0
306.07648	100.0
307.07874	4.6
377.14832	1.1
598.28058	15.6
599.28656	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	598.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
64.99265	0.6
69.55364	0.8
71.02209	1.4
73.95564	0.6
75.99746	0.6
84.51578	0.7
92.09145	0.8
150.32297	0.8
157.93402	0.8
284.18387	0.8
318.16846	0.8
343.68112	0.8
362.22403	0.9
437.81589	0.8
542.90289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.4
61.98827	3.3
69.64841	3.5
71.01384	3.9
73.02950	1.0
78.30140	0.5
81.03500	0.6
83.01401	0.8
85.02961	3.7
89.02475	0.9
91.01900	1.1
93.03453	2.4
95.01389	0.8
96.96017	2.3
101.02446	2.0
105.03458	1.0
108.02183	2.6
109.02958	11.4
113.02452	1.4
117.03448	0.9
117.61813	0.5
119.97269	0.6
121.02953	1.7
122.03769	1.5
123.00899	0.6
123.04530	3.1
126.90410	1.0
129.01942	0.8
132.02170	2.1
133.02954	36.9
134.03702	2.2
135.04523	32.3
136.04803	0.7
137.02446	11.1
138.03230	18.7
138.67311	0.6
139.04021	1.1
147.04509	1.7
149.02441	1.6
149.06053	1.8
151.04007	0.8
152.01163	1.6
159.04448	0.8
161.02440	100.0
162.02763	2.7
165.27692	0.7
167.03490	3.3
175.03989	2.0
176.04823	0.6
177.01828	0.7
177.05554	4.0
178.02818	0.7
179.03499	18.7
183.10193	2.7
187.00360	1.9
189.05783	0.7
201.05635	3.6
203.03561	2.0
213.05615	4.1
216.04190	0.7
219.06555	1.4
221.04549	4.6
229.05006	1.2
231.06609	29.7
232.06874	1.6
257.04553	23.1
257.06635	0.5
258.04840	1.5
275.05573	9.5
276.05869	0.9
280.05811	0.9
323.07697	26.4
324.07986	1.3
333.17099	0.6
447.12955	9.0
448.12930	0.8
491.11993	1.2
555.15033	26.0
555.23523	1.3
556.15204	3.2
599.14032	86.2
600.14380	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	598.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.9
61.98829	100.0
62.98542	0.2
71.01386	0.5
78.17280	0.2
85.02978	0.2
88.01854	0.2
89.02446	0.5
95.01403	0.2
97.02884	0.2
101.02454	0.3
102.43848	0.2
105.92455	0.2
114.36275	0.2
121.06637	0.2
123.00918	0.3
136.01579	0.2
150.03230	0.2
151.04007	0.5
160.05312	0.5
165.05574	0.3
175.07658	0.5
187.04030	0.3
188.04982	0.2
191.05669	0.5
203.07138	0.3
272.22668	0.2
325.10608	0.8
355.11603	0.2
363.57129	0.2
368.32599	0.2
455.83160	0.2
487.45633	0.2
503.72531	0.2
529.41260	0.2
535.18341	4.9
536.18469	0.4
599.09607	0.2
599.23779	0.6
615.53394	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.66791	0.2
61.98832	100.0
69.80405	0.5
69.80806	0.4
71.01382	0.2
72.92262	0.2
79.94304	0.2
83.05022	0.2
85.02971	0.7
93.03488	0.3
96.96013	0.3
98.20534	0.3
98.50670	0.1
121.02973	0.3
129.01900	0.2
135.04521	0.4
137.02446	0.2
147.04588	0.4
161.02412	0.3
163.92125	0.2
167.03490	0.2
173.04596	0.4
179.03526	0.6
183.10272	0.5
189.01929	0.2
201.11348	0.2
206.08215	0.2
209.24411	0.2
217.01573	0.2
223.06099	0.2
259.09140	0.6
271.02505	0.5
299.02115	0.6
314.04184	0.3
341.06808	0.2
342.06921	0.2
387.75391	0.2
436.11252	0.9
451.32611	0.2
519.11566	1.0
519.19287	0.4
609.01733	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91272	0.1
59.01104	0.2
59.01381	1.3
61.41533	0.1
61.98830	100.0
69.07137	0.2
69.34192	0.4
69.34620	0.8
71.01386	0.7
75.00871	0.2
78.52335	0.1
85.02963	0.4
89.02445	0.5
89.70421	0.2
98.20610	0.3
101.02456	0.3
109.02930	0.2
113.02394	0.2
119.03498	0.3
121.06572	0.3
123.93289	0.2
136.01654	0.3
143.38629	0.1
150.03195	0.2
151.04018	0.6
160.05330	0.6
165.05620	0.2
173.04636	0.2
175.03859	0.2
175.07683	0.5
187.04057	0.2
188.04765	0.3
191.03940	0.1
191.05629	0.6
196.30461	0.2
201.05553	0.2
203.07243	0.5
310.08521	0.2
325.10730	1.0
355.11996	0.2
370.88403	0.2
535.18347	5.4
536.18805	0.4
599.23877	0.7
605.15417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	10.4
59.01361	2.1
61.98827	8.3
66.03503	1.0
71.01376	1.3
71.55162	1.0
72.00861	1.0
72.97507	2.2
74.02468	21.4
81.04558	1.8
82.02979	4.2
84.04545	1.8
85.02947	1.2
86.02476	11.9
87.05634	5.0
88.04022	1.0
93.03483	1.1
95.02446	0.9
95.78022	0.8
97.04080	2.2
99.05643	18.4
100.00397	2.4
101.07197	2.6
102.05615	3.0
109.04050	4.0
111.05644	2.0
112.04005	1.9
113.03610	0.9
123.05648	1.4
125.03548	3.0
126.01948	1.2
127.05137	2.6
128.03534	63.7
129.03877	1.5
135.04674	1.2
135.05647	5.9
136.62866	0.8
137.67059	0.8
140.30931	0.8
141.06697	2.3
143.04617	74.6
144.04916	1.0
145.06168	2.5
146.04572	8.5
149.04579	1.0
149.07156	1.2
153.06660	3.2
155.08234	1.6
166.09740	2.4
167.04602	3.1
167.08226	4.3
169.06178	1.9
171.04063	1.7
171.10286	5.3
173.04553	1.3
175.01738	1.0
178.02788	0.8
179.04614	18.0
181.06172	1.6
184.10744	1.2
185.03891	1.1
185.05644	2.2
191.05650	1.3
192.07759	1.9
197.05576	2.7
209.11824	5.2
210.08823	14.8
228.09886	1.0
254.07803	48.5
255.08028	1.9
256.11407	1.6
272.08868	100.0
273.09164	2.5
276.09692	0.9
291.19669	2.5
325.18295	4.3
438.14050	0.9
450.15570	1.0
469.23679	2.9
480.53195	0.9
500.55978	0.9
580.27094	6.5
598.27972	44.4
599.28607	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	597.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74524	1.6
59.01381	100.0
61.98835	3.6
69.94218	3.4
69.94618	3.5
70.36426	1.6
71.12535	1.6
80.70921	1.5
128.83316	1.8
165.38539	1.7
242.71901	1.8
432.58990	1.8
449.12277	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	597.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.3
61.98826	2.5
63.02354	2.2
69.24573	22.3
78.95903	54.5
81.61525	2.3
96.86314	2.2
96.96954	10.3
113.36450	2.5
124.01675	34.2
139.04012	88.2
152.99579	90.9
153.00818	4.7
200.93863	2.2
223.00110	5.8
241.01160	21.1
277.21729	2.7
281.24869	59.8
282.25208	4.1
282.75494	2.3
305.74429	2.7
315.04953	13.7
396.98935	2.5
438.30426	2.4
565.84418	2.7
597.30432	100.0
598.30817	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	597.387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
58.02968	0.4
59.01387	2.3
61.98833	8.5
62.33516	0.3
71.01360	1.4
73.02948	0.4
75.00873	0.4
81.03458	9.6
83.01391	0.7
83.05026	33.3
84.05343	0.7
85.02950	5.4
88.98802	0.7
89.02456	0.4
93.03464	0.5
96.96012	2.1
100.07687	4.5
101.02430	0.8
108.02170	0.5
108.04561	0.3
109.02946	0.3
111.00866	0.8
113.02494	0.5
122.02477	0.4
123.04519	1.2
125.02434	0.8
125.07206	0.3
126.05606	0.7
127.04031	0.7
129.01932	1.9
134.03720	0.3
135.04504	0.8
137.02448	0.6
145.02977	0.4
147.02963	0.6
147.04527	0.3
149.02422	0.6
151.04039	0.6
152.01143	0.5
155.10768	0.8
160.01704	0.3
161.02414	0.4
163.04025	0.4
165.01862	0.6
167.03468	1.1
173.00912	0.5
175.03998	0.4
177.01910	0.8
179.03494	0.7
180.04309	0.3
181.04305	0.2
183.10233	0.3
189.01955	1.3
190.02658	0.3
191.01929	0.8
191.03560	0.5
193.04959	0.5
199.09688	0.3
199.18152	6.7
200.18408	0.3
207.15073	0.7
209.04466	0.4
209.08130	0.3
217.01424	1.2
219.02972	0.4
224.17717	0.5
225.16077	7.6
226.16466	0.3
243.17120	18.4
244.17426	0.7
265.07230	0.3
269.15002	1.1
285.04184	0.4
289.07275	0.5
309.21716	1.2
331.11865	0.6
341.06699	2.6
348.16614	0.3
353.20792	6.7
354.20911	0.5
373.11627	0.3
391.12640	0.8
409.15994	0.3
417.10934	0.4
425.34473	0.3
433.32074	0.6
435.10754	2.7
436.11237	0.6
451.32840	1.9
469.33957	14.5
470.34299	1.7
495.31598	0.4
501.53784	0.3
553.39758	0.5
579.37451	3.5
580.38000	0.4
597.38678	100.0
598.38983	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	597.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68312	1.0
59.01379	54.6
69.82279	5.4
71.01363	1.3
72.25401	1.0
82.48421	1.1
87.00871	1.5
97.13694	1.2
109.53109	1.0
111.00842	1.6
112.05824	0.9
121.02957	5.2
121.10101	0.9
122.03762	2.2
145.21397	1.1
146.03734	8.4
147.04601	1.5
149.02429	39.7
149.03633	2.2
150.03223	37.9
158.32840	0.9
161.06030	2.2
162.23204	1.0
164.04779	16.7
165.05559	53.5
166.05884	3.0
173.00868	1.1
179.07144	16.0
180.04294	5.1
192.78099	1.0
195.06618	46.9
196.06894	2.1
201.44743	1.1
211.66113	1.2
234.12041	1.0
250.21024	1.0
297.07715	1.8
312.10022	19.3
313.10104	1.4
327.12344	100.0
328.12628	7.4
337.09253	3.1
355.06992	1.4
375.14444	34.8
376.14618	1.3
395.62369	1.2
436.11798	1.2
461.14661	2.8
579.16650	1.7
589.55933	1.2
597.17456	14.8
598.17889	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91365	3.3
58.00607	3.6
59.01070	4.8
59.01376	100.0
61.98824	11.1
65.34772	3.2
66.90127	3.1
71.01379	59.5
71.23441	5.1
75.24371	3.3
76.37594	3.9
82.07516	3.4
83.01385	3.7
85.02948	13.6
87.00886	8.0
89.02445	95.5
101.02443	23.3
113.02457	25.7
114.64621	3.7
119.03493	38.5
131.03493	3.9
143.03481	9.4
146.03714	14.2
161.02455	4.2
161.04558	10.3
161.68350	3.3
162.03218	19.3
164.04776	5.4
177.05560	19.8
179.05592	37.4
179.07162	16.0
187.99640	3.2
196.64600	3.4
322.85336	4.2
357.12592	4.6
474.29156	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	597.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
58.69638	0.6
59.01383	4.5
61.98811	2.0
68.99809	0.7
69.03467	0.7
69.99089	1.2
69.99494	2.4
71.01384	3.8
72.18888	0.6
72.73797	0.6
73.02939	1.3
74.07101	0.6
75.00874	1.2
78.58025	0.6
81.03461	5.5
83.01380	3.7
85.02944	2.2
88.51842	0.7
89.02473	1.6
93.03453	4.7
95.01397	1.3
95.05037	3.9
97.02954	4.6
99.04521	2.7
101.02430	1.9
107.01364	0.8
107.04996	2.5
108.02149	0.9
109.02965	4.3
109.06550	0.7
111.00880	1.3
111.04509	2.5
113.02441	2.3
115.00396	0.8
119.03566	0.8
119.05024	6.6
121.02945	2.6
122.03802	0.7
123.00903	1.3
123.04526	15.9
125.02455	11.2
131.05031	0.7
133.01402	2.4
135.04539	4.3
137.02443	5.5
137.06088	6.6
139.04016	8.3
145.02870	0.7
147.04501	2.4
149.02443	1.9
149.06105	1.0
151.03979	2.4
153.05663	0.8
155.03503	1.2
161.06088	1.8
163.04012	3.3
163.07617	1.1
164.04837	1.7
165.01898	5.8
165.05576	6.5
166.02599	1.0
167.03497	21.8
168.03780	0.9
173.06161	0.6
175.03935	0.7
177.01927	1.6
177.05574	1.5
179.03534	8.7
179.07057	1.3
180.04262	2.9
181.05040	2.6
189.05539	6.6
191.03500	1.6
191.07278	0.8
193.05057	3.3
193.42497	0.7
194.05797	0.8
195.06682	3.1
195.55339	0.7
197.04579	4.7
205.05014	0.8
207.03055	1.0
207.06653	1.1
209.04552	25.8
210.05006	0.8
217.01413	0.8
219.02953	1.2
221.04573	5.4
225.07645	2.9
229.08752	1.6
233.04491	1.2
235.05995	0.8
239.05597	10.7
247.06155	0.8
251.05603	4.7
263.05579	1.3
269.06635	2.0
273.07693	3.7
281.06760	1.4
285.07733	2.1
315.08719	14.5
316.09128	1.1
327.08746	6.9
339.08484	0.8
341.06454	1.5
341.10208	1.0
345.09833	5.5
357.09778	100.0
358.10104	6.4
363.62433	0.6
369.09897	3.9
371.11349	0.8
387.10840	75.7
388.11105	5.1
399.10760	3.9
417.11890	22.9
418.11862	1.4
429.11774	1.2
435.10815	2.5
441.11856	1.0
444.67352	0.7
459.12991	8.9
460.13177	1.0
463.09006	0.7
471.13422	1.3
477.14032	25.4
478.14258	1.5
482.65833	0.7
489.13995	6.7
507.15323	3.4
561.15778	1.0
579.17426	2.5
597.18420	11.7
598.18243	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01377	1.2
61.98832	100.0
69.54365	1.1
71.01402	0.4
85.02958	0.9
88.98830	0.7
89.02440	0.3
93.03459	0.2
96.96033	0.4
101.02435	0.2
109.02944	0.2
111.00916	0.3
123.04513	0.3
125.02471	0.2
136.01593	0.2
137.02490	0.4
145.95096	0.2
147.02977	0.3
149.02498	0.3
151.04030	0.3
164.04843	0.2
167.03525	0.3
179.10901	0.2
182.07959	0.2
191.05664	0.2
226.02440	0.2
235.38821	0.2
259.06030	0.2
316.01822	0.3
316.75638	0.2
317.01807	0.2
332.04410	0.3
346.06570	0.4
347.06723	0.4
401.72177	0.2
433.58472	0.2
561.29626	0.4
596.25366	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35490	1.4
55.99847	1.1
59.01380	9.9
61.73624	1.2
66.10677	1.2
66.81777	1.2
69.34401	3.1
69.34808	8.8
71.01377	5.5
73.02924	3.2
81.03448	1.3
83.01393	2.2
85.02949	5.9
87.00877	21.3
89.70235	1.5
89.93427	1.4
90.93223	1.2
93.03460	4.4
94.48500	1.1
99.00883	5.1
100.01646	3.0
101.02441	3.4
105.01968	3.2
108.02209	1.9
111.00872	11.3
112.98786	3.8
113.02428	1.5
115.00402	1.4
119.05098	1.6
121.02943	4.9
122.03743	9.3
123.00864	6.2
123.04507	2.7
130.02669	1.2
133.02904	1.6
135.04521	2.2
136.01672	2.0
137.02480	1.2
142.99881	2.0
145.06323	1.5
149.02454	23.4
150.03220	70.4
151.03961	5.8
161.02426	4.4
163.03969	3.4
164.04802	11.4
165.05556	91.1
166.02710	3.4
166.05954	1.8
167.03494	4.2
173.00871	5.5
174.01685	3.3
175.03961	2.2
176.04790	3.5
177.05545	1.9
178.06384	2.8
179.03499	4.7
179.07132	9.8
180.04247	7.2
181.05159	7.2
190.02679	1.4
191.03476	6.5
191.05449	7.3
191.07076	2.1
193.08723	2.3
193.12411	1.8
194.05844	5.0
195.06615	38.3
196.06918	1.4
203.03517	1.5
205.05084	3.4
206.05840	4.1
207.06548	1.6
209.08177	7.3
219.02910	1.9
219.06480	1.9
221.08211	5.7
223.21799	1.2
226.76520	1.5
229.07375	2.4
234.05336	2.5
247.02478	2.6
249.07701	2.6
255.45682	1.4
261.04044	3.4
262.04861	4.3
264.06339	5.2
265.07199	4.7
267.08728	2.1
276.06439	3.0
277.07129	13.0
327.12311	12.6
337.09268	24.1
338.09583	1.9
369.13293	5.8
375.14474	5.3
400.09991	1.6
413.12186	3.1
425.12454	2.0
443.13510	3.0
461.14456	25.5
473.14075	1.6
481.01346	1.4
485.14236	1.9
521.16522	2.2
533.16803	6.2
579.17133	18.5
580.17896	2.2
597.18225	100.0
598.18463	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	596.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79023	0.1
59.01378	2.4
61.94165	0.2
61.98828	100.0
62.98513	0.2
71.01384	0.4
71.55392	0.2
75.55475	0.2
76.10875	0.2
83.67353	0.2
85.02980	0.5
87.00882	0.3
93.03472	0.8
96.96037	0.5
118.88937	0.2
128.03545	0.2
128.68329	0.2
135.04568	0.4
146.03777	0.3
163.31825	0.2
164.04840	0.3
173.04579	0.5
179.07124	1.1
180.07443	0.4
189.02010	0.2
191.05577	2.1
192.05983	0.5
353.14371	0.2
374.12573	0.3
384.49112	0.2
425.91696	0.2
435.10986	0.2
586.32208	0.2
596.14124	0.4
596.24402	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
59.83196	0.2
60.55910	0.2
61.98829	100.0
71.01379	0.5
85.02951	0.5
89.02451	0.5
101.02427	0.2
111.54160	0.2
119.03568	0.2
122.35666	0.2
133.02957	0.2
145.64635	0.2
152.43063	0.2
188.04875	0.5
203.07201	0.6
229.50996	0.2
388.66699	0.2
441.20782	0.2
533.16681	4.0
533.24207	0.3
534.17249	0.3
534.37238	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.4
57.03445	2.2
58.93696	1.1
59.01379	100.0
61.98822	1.3
69.63829	7.0
71.01381	30.2
72.99287	1.6
73.02953	9.3
75.00861	1.4
81.25167	1.2
83.01385	4.8
85.02950	18.4
87.00850	2.2
89.02435	6.8
91.22648	1.0
93.03467	1.9
95.01353	2.3
96.96018	1.8
99.00864	4.9
101.02441	21.8
111.00894	1.8
113.02448	14.5
119.03504	2.8
119.04982	1.9
121.02943	42.7
125.02429	3.0
126.79856	1.2
129.01959	1.8
135.04559	1.5
143.03473	1.6
149.02438	1.3
151.00284	1.6
159.02922	3.1
161.04543	11.5
173.04549	1.3
173.68643	1.1
191.05592	4.7
193.01357	2.7
195.06595	1.1
203.41684	1.1
206.08182	1.3
209.04543	37.2
254.63354	1.2
260.99371	1.1
285.06418	1.7
313.06992	8.7
355.07370	1.4
373.22000	7.8
385.09357	1.2
433.10938	2.2
475.12195	3.9
535.27588	95.3
536.27942	7.4
595.15894	16.2
596.16968	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	595.2885
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
58.01270	0.4
58.01574	0.5
59.01367	0.7
59.33907	0.4
60.57416	0.5
62.96400	0.5
71.23074	0.9
72.74683	0.5
73.23299	0.5
78.95902	58.0
79.95404	0.5
96.96963	10.4
150.98044	1.5
152.99593	89.7
153.99971	0.9
171.00681	2.6
223.00121	11.0
241.01186	23.4
257.55435	0.5
259.02249	1.2
278.40421	0.5
279.23279	64.5
280.23688	4.1
315.04868	15.2
333.05875	0.7
465.35611	0.5
595.28864	100.0
596.29169	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	595.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44992	0.3
53.96035	0.4
58.02972	4.8
59.01366	1.3
61.98831	18.1
66.03477	0.5
71.55181	0.5
72.00905	1.3
72.27100	0.3
72.32864	0.3
74.02470	1.4
78.81598	0.4
82.06618	1.5
83.87770	0.4
84.08169	0.4
85.00671	0.4
93.03470	1.9
107.04992	1.2
111.01999	1.0
112.07650	1.5
112.08366	0.4
119.05036	6.7
121.02926	0.5
126.09274	0.4
127.07652	0.3
127.08752	0.7
128.07188	0.6
129.10345	18.7
130.08714	0.6
133.05360	0.4
134.06134	3.7
136.07671	1.3
137.02364	0.5
139.08792	0.7
140.07184	0.9
143.11873	1.1
151.08769	0.5
152.07047	0.4
153.10316	0.6
154.08725	0.8
155.07065	0.6
155.08273	7.3
163.03999	3.8
164.07147	0.8
169.09799	1.2
171.11417	3.9
177.01837	0.3
179.03403	0.3
179.15541	2.1
180.06662	15.6
181.07053	0.5
181.09802	0.8
183.10246	0.6
187.10840	1.6
191.05620	0.9
195.06744	0.4
195.14954	0.7
197.11661	0.4
197.16585	3.6
207.14973	0.6
211.11008	0.4
223.14528	6.0
225.11276	0.5
226.06630	0.4
231.07721	0.8
239.17560	0.5
240.17108	0.7
247.14493	2.1
249.11389	0.6
249.16072	9.8
250.16393	0.7
264.16931	0.6
275.14059	1.0
275.21185	1.1
277.15610	0.7
282.18137	0.6
289.07172	0.7
292.24057	0.5
293.15039	9.0
294.15018	0.6
334.24969	0.5
343.20276	0.6
344.16193	3.5
360.22961	2.2
378.23944	0.6
387.21902	0.5
388.14862	0.4
404.21811	1.6
430.30838	0.7
434.74982	0.4
473.30478	0.4
518.44788	0.4
559.31335	100.0
560.31653	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	595.2888
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
55.91072	0.4
57.26833	0.4
59.01386	0.5
61.98825	0.6
69.87611	1.9
76.71535	0.5
78.95901	60.4
96.96964	12.6
99.00842	0.7
103.70460	0.4
111.11125	0.4
112.20812	0.5
138.39667	0.4
150.98029	1.2
152.99580	60.8
171.00620	1.2
199.13388	0.7
207.10185	1.0
223.00099	2.1
225.11349	1.8
241.01169	25.8
242.01450	0.7
243.12354	0.5
247.54279	0.4
277.76733	0.4
279.23276	60.8
280.23584	3.7
295.22711	1.3
299.32828	0.5
310.68134	0.4
315.04834	8.7
333.05841	0.8
415.22543	5.0
433.23416	2.9
593.80182	0.5
595.28894	100.0
596.29199	8.8
596.38440	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55719	0.5
57.03438	1.5
59.01379	23.2
59.02481	0.6
61.98831	40.7
67.01882	0.9
67.53008	0.6
71.01384	4.7
71.55555	0.9
73.02940	4.9
74.69019	0.6
83.01384	5.6
83.05027	0.7
85.02950	3.3
87.00403	0.5
87.00859	3.4
89.02442	1.9
93.03461	9.0
96.96022	0.8
97.06552	0.7
99.04532	0.9
101.02463	4.5
107.05002	0.9
109.02928	0.6
111.04526	1.9
113.02421	1.7
115.80460	0.7
119.05025	100.0
120.05347	3.1
125.02457	1.0
129.01884	0.6
134.03763	0.7
135.04506	3.3
137.02473	1.6
149.04489	0.7
150.03198	0.6
152.01143	1.1
155.03525	1.1
161.22182	0.6
163.04008	61.5
164.04376	1.8
165.05577	2.0
167.03516	0.8
167.10802	1.7
173.04552	9.8
179.03239	0.6
187.07634	1.2
189.05354	0.6
191.05608	16.3
192.06017	0.7
207.13786	1.3
209.11838	2.4
214.06377	1.1
215.07321	1.0
223.13388	0.7
225.14917	3.0
227.12871	11.7
269.13953	2.6
287.14972	5.3
309.14865	1.8
327.16147	1.4
329.16016	0.6
353.13968	1.0
356.09015	1.6
357.09219	1.2
358.09644	2.2
371.11139	1.6
371.15363	1.2
372.11465	1.3
373.11877	1.8
389.15872	1.5
403.17737	1.2
408.88065	0.6
431.19159	5.9
445.18683	2.6
446.18781	0.7
468.60519	0.6
563.21674	1.1
577.23090	5.2
595.16040	2.0
595.23932	51.6
596.24371	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	595.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74925	1.2
59.01379	11.7
60.99297	1.2
61.98830	100.0
67.01885	3.3
67.68201	1.3
69.03453	1.5
71.01366	5.9
71.55072	2.2
73.02937	3.3
74.67117	1.2
83.01382	1.7
83.05042	1.3
85.02968	4.3
87.00874	6.6
93.03458	24.5
99.04537	1.1
101.02411	2.3
111.04512	4.3
112.35563	1.1
132.04547	45.7
133.02979	3.3
133.04889	1.9
134.03743	2.0
135.04480	1.6
137.02422	2.3
149.04559	2.8
153.72318	1.2
155.03546	1.7
159.04517	1.1
160.23886	1.2
161.04521	1.5
163.07663	1.3
173.04572	24.6
173.06010	2.7
177.01924	3.1
177.09145	2.1
178.02666	2.2
186.06860	3.0
187.07610	5.1
191.05592	24.0
201.05542	3.8
201.09229	1.5
202.06366	1.9
203.07082	1.7
204.07950	1.9
214.06302	2.8
215.07155	4.5
215.10577	1.2
229.08630	2.8
230.09222	1.9
231.10301	1.9
256.07440	1.1
263.12939	1.4
263.67245	1.1
266.08463	1.1
284.09790	1.0
306.10904	1.8
306.37415	1.1
307.56360	1.0
309.14911	2.1
327.15680	1.7
371.15009	2.4
404.14487	1.4
419.20581	1.5
445.18433	2.7
463.19748	1.9
480.16391	1.7
480.77261	1.2
545.20367	3.7
577.22864	29.5
578.23218	3.1
595.23718	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	595.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.2
69.11068	1.5
71.01379	6.4
71.53868	1.6
73.02938	2.8
78.88956	1.4
79.01882	1.9
81.03465	3.2
83.01385	3.6
85.02946	2.7
93.03464	6.4
95.01420	1.8
95.05037	1.5
96.96017	1.7
97.02959	3.2
101.02438	2.9
107.01385	7.0
107.05077	1.7
109.02890	2.3
111.04510	2.3
116.36849	1.6
117.03469	1.8
119.05027	35.3
121.02950	4.7
123.00900	1.5
123.04543	3.5
125.02438	7.9
135.04529	3.4
137.02451	6.4
139.04039	5.4
143.05026	3.6
145.02950	8.6
147.04504	3.8
149.02412	4.0
151.00354	4.0
159.04572	2.0
161.02402	2.4
161.06088	3.0
163.00363	3.7
163.03983	3.3
165.01932	6.8
167.03481	11.4
177.01958	4.9
178.81554	1.6
179.03479	4.4
187.03964	8.3
191.03619	2.7
191.05608	5.2
192.00612	2.4
193.01422	8.9
205.01401	6.1
207.03072	3.4
209.04530	4.8
215.87578	1.6
219.03008	2.3
227.07246	3.3
235.02513	13.5
247.02470	2.7
249.04193	1.8
265.03577	4.8
271.02527	1.8
271.06226	2.1
283.06122	2.2
299.01999	3.5
300.25079	1.7
301.03415	1.9
313.07147	16.0
325.07068	9.5
343.08276	6.3
355.08221	81.6
356.08594	5.6
367.08212	5.3
385.09253	60.7
386.09576	4.9
397.09283	4.2
415.10330	17.7
416.11099	1.9
427.10361	2.0
455.08139	1.8
457.11349	7.4
475.12500	37.5
476.12540	2.1
487.12381	6.6
505.13513	11.6
506.13165	2.2
535.27515	4.1
553.28821	3.3
577.16644	3.4
595.16693	100.0
596.16809	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	595.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13497	1.4
54.58987	1.5
57.03445	1.6
58.00578	2.9
58.39007	1.6
59.01379	50.1
61.98838	2.9
71.01379	26.8
71.55083	1.4
72.99302	2.6
73.02944	1.8
75.00858	2.5
76.47926	1.4
85.02953	7.4
87.00884	3.4
89.02444	30.1
90.98613	2.7
93.03477	3.0
95.01357	2.3
96.83995	1.5
101.02436	12.2
113.02448	11.3
119.03517	12.8
131.03522	2.1
143.03430	2.6
159.04504	1.3
161.04480	3.0
171.04509	3.2
172.05322	3.5
173.04536	3.6
173.06049	5.0
179.05595	8.0
180.18007	1.4
187.03957	1.6
191.05635	10.9
199.11172	1.5
200.43356	1.7
215.01639	1.4
225.16032	2.0
229.05161	2.1
285.04044	7.3
286.04376	5.2
287.04745	7.1
293.08167	4.8
321.07639	7.3
322.08453	17.8
337.10782	100.0
338.11047	6.5
371.69772	1.7
488.45007	1.6
496.39932	2.0
501.88861	1.7
517.17395	5.0
551.29565	1.8
595.14838	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67645	0.7
54.87199	0.8
56.70813	0.8
59.01377	1.0
68.99836	0.9
69.41392	4.5
71.01364	1.5
75.58641	0.8
79.01875	1.5
81.03461	1.5
83.01390	2.7
92.91803	0.8
93.03455	7.3
95.01395	1.5
97.02946	4.6
99.00887	0.9
101.02486	0.9
105.03467	1.1
107.01380	5.8
107.05051	1.2
109.02941	2.5
111.00919	1.2
111.04532	1.9
113.02434	1.5
117.03423	1.3
119.05029	34.0
120.05373	0.9
121.02947	3.4
123.00867	1.9
123.04504	2.3
125.02470	7.8
135.04529	3.0
137.02431	5.4
139.03993	5.6
143.05032	4.7
145.02975	6.3
145.84631	0.8
147.04474	2.3
147.72050	0.7
149.02490	4.9
151.00371	4.6
151.04016	2.2
159.04457	1.0
161.02676	1.1
161.06102	2.8
163.00337	3.4
163.04007	3.8
164.01122	1.3
165.01891	6.2
167.03481	8.0
175.03996	2.0
177.01979	5.6
177.05644	1.4
178.02628	1.6
179.03488	3.6
185.09425	0.9
187.04001	6.8
191.03481	5.2
192.00618	1.2
193.01395	9.2
197.04521	2.5
199.07648	2.2
201.05522	0.9
203.03525	1.1
205.01431	7.1
205.05002	1.0
206.02252	1.1
207.03015	5.1
209.04562	4.1
217.01389	1.1
219.02969	3.4
221.04535	1.5
223.02463	2.3
227.07224	1.7
229.05093	1.0
235.02440	12.7
239.05434	2.1
247.02405	1.5
249.03920	1.7
261.03983	1.3
262.01602	0.8
265.03586	4.8
265.08719	1.1
269.08157	1.0
271.06183	4.1
283.06277	1.5
283.09906	0.9
297.07684	1.2
303.50366	0.9
313.03775	1.5
313.07202	17.0
314.07523	1.0
325.07150	6.5
326.07779	1.1
339.08603	1.0
343.08188	5.9
353.06683	1.0
355.08215	78.5
356.08643	6.2
367.08292	5.4
369.09470	1.4
385.09280	63.2
386.09607	4.5
397.09033	4.1
415.10300	18.8
427.10269	2.5
439.10690	0.8
457.11429	7.8
475.12436	33.6
476.12839	3.3
487.12497	5.5
505.13580	10.1
506.13779	1.1
559.13977	1.2
577.15527	3.4
595.16675	100.0
596.17047	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	595.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.5
57.03448	13.4
58.27425	0.7
59.01378	2.9
62.54546	0.6
69.46619	4.2
69.60924	0.8
71.01392	3.2
73.02973	0.7
83.01392	6.1
84.02165	1.4
85.02952	100.0
86.03305	1.7
87.00908	0.8
89.00317	0.9
91.01891	0.7
96.96039	0.8
101.02478	1.2
106.00603	0.7
111.00175	0.9
111.00885	13.9
121.02964	17.3
122.03259	0.7
123.00906	1.1
125.02441	1.2
129.01949	47.6
134.03787	0.7
135.04465	0.7
137.02432	0.7
138.03192	1.0
145.01375	0.7
147.02988	9.5
149.02435	7.9
153.05580	11.4
161.02577	1.1
164.04788	5.5
165.05510	0.7
167.03416	1.5
173.00897	13.3
175.00275	0.6
178.21468	0.7
179.03510	1.2
179.07167	1.2
182.02199	1.5
183.30824	0.7
190.02715	6.4
191.01970	8.2
191.03520	0.7
193.01488	0.7
197.04550	29.4
205.03429	1.6
205.05054	4.1
208.03729	0.8
209.02866	0.8
209.04642	3.3
210.04866	1.8
212.29848	0.6
222.05092	1.0
222.45781	0.6
223.06088	7.4
233.04628	0.6
263.09268	0.7
265.07175	3.7
291.08588	3.0
303.94464	0.6
327.07248	2.2
353.08673	3.2
360.68680	0.7
371.06155	5.8
372.06204	0.8
389.07260	2.4
397.07568	0.9
408.67438	0.6
415.08710	1.2
441.96664	0.6
592.80408	0.8
595.15631	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	595.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.7
63.02426	0.5
65.00320	0.6
68.92468	0.4
69.67805	0.9
69.68224	1.7
70.81455	0.4
71.01391	1.3
75.70915	0.4
83.01392	0.6
85.02977	1.0
87.00935	0.5
89.02468	1.0
98.13403	0.4
100.65643	0.4
101.02464	0.9
107.01411	1.6
108.02209	1.6
113.02453	0.6
117.03418	0.4
121.02966	0.9
122.91447	0.4
125.02419	0.8
135.00905	0.5
148.01656	1.2
151.00377	5.2
152.01143	0.4
163.00366	0.9
164.01122	0.7
167.03429	0.7
178.99866	3.6
191.05632	1.3
193.01263	0.4
199.04022	0.8
214.53178	0.4
226.02754	1.2
227.03500	1.4
229.01511	0.5
243.02972	8.8
244.03392	0.4
254.02228	1.5
255.02982	22.8
256.03305	1.2
271.02469	50.7
272.02945	3.6
273.03952	0.6
283.06049	0.8
284.06497	0.8
299.01999	2.6
300.02740	100.0
301.03333	12.4
311.05475	0.5
312.06055	0.8
313.06305	0.7
313.10791	0.6
373.12854	2.1
403.35214	0.4
433.07724	0.7
535.27710	1.3
553.28278	1.4
595.13019	85.8
596.13306	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	594.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68497	0.3
61.98819	0.6
65.00331	1.7
68.99862	0.4
95.01401	0.7
96.99261	0.3
98.75938	0.3
99.19360	0.3
110.00096	9.8
111.00886	0.8
123.00903	0.9
123.04548	1.4
125.99615	0.5
133.02946	1.6
136.98798	2.8
137.99586	7.2
139.00377	7.5
141.99063	0.4
155.04933	0.3
164.98303	4.2
165.99074	20.8
166.99867	7.2
171.04584	0.5
173.02496	0.4
178.99915	0.6
183.04549	1.9
193.98569	1.3
199.04054	1.4
206.99355	0.5
215.03490	1.1
216.04295	0.6
227.03482	3.0
228.04236	0.9
243.02985	1.5
244.03731	0.5
254.02075	0.4
255.02907	2.6
256.03732	1.3
257.04675	0.5
271.02527	4.9
284.03397	0.4
285.04178	0.4
299.01974	13.9
300.02747	39.8
301.03082	2.4
314.04324	19.3
315.05090	100.0
316.05453	5.6
343.08258	0.8
422.98306	0.4
471.62701	0.3
594.23450	48.4
595.23706	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	594.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98804	1.3
65.00333	2.3
69.36678	1.2
69.37077	3.6
70.09580	0.5
71.77888	0.5
72.93375	0.5
78.95876	1.2
84.93449	0.5
95.01384	0.6
95.98147	0.6
96.99339	0.7
110.00095	11.5
111.00883	0.7
121.02986	1.0
123.00916	0.8
123.04541	2.4
133.02959	3.7
136.98801	3.3
137.99583	7.7
139.00363	7.8
141.99138	0.6
149.99606	0.9
151.03975	1.2
152.99617	0.9
164.98291	8.2
165.99066	22.7
166.99847	8.3
171.04503	1.1
173.02390	1.0
177.99113	0.8
178.99948	0.9
179.03481	0.6
183.04535	3.5
193.98549	1.9
199.03983	1.9
200.04715	0.6
205.98520	0.5
215.03470	2.2
216.04282	0.9
222.44447	0.5
227.03444	4.9
228.04276	1.1
229.01472	0.8
243.02956	2.3
254.02078	0.6
255.03003	3.7
256.03683	0.9
270.41196	0.5
271.02512	8.3
299.01956	24.8
300.02734	39.8
301.03079	2.0
314.04303	40.8
315.05084	100.0
316.05432	5.1
343.08276	2.0
549.04688	0.6
594.23407	78.3
595.23822	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	594.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13720	0.3
61.98823	0.9
65.00318	1.8
69.71529	1.8
74.45452	0.3
90.70240	0.3
96.99320	0.5
110.00092	4.7
120.99327	0.3
123.00894	0.4
123.04512	3.0
133.02953	4.8
136.98804	2.1
137.99557	1.5
143.05002	0.4
149.99597	0.8
155.04977	0.7
159.16861	0.3
164.98273	7.6
165.99074	7.0
171.04477	1.3
173.02470	1.7
177.65466	0.3
177.99059	1.3
178.99861	0.4
183.04506	3.3
196.85843	0.3
199.03999	1.4
201.01877	0.7
203.03529	0.6
205.98566	0.7
211.03993	0.5
215.03528	2.7
216.04234	0.7
220.03859	0.5
226.02768	0.9
227.03510	3.9
228.00563	0.4
229.01442	1.0
230.05736	0.4
243.02943	3.1
254.02243	0.4
255.02969	3.8
266.09686	0.3
269.04486	0.8
270.01709	0.5
271.02448	9.3
272.02783	0.5
285.03970	0.5
286.04160	0.4
299.01944	33.1
300.02374	2.1
314.04306	100.0
315.04910	8.4
343.96368	0.3
594.15112	0.4
594.23602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
57.59023	0.2
58.02978	0.4
58.64807	0.2
59.01374	3.6
61.98831	100.0
71.01391	0.9
71.56030	0.4
74.02475	0.4
81.57977	0.2
82.08727	0.3
83.01393	0.4
83.73656	0.3
84.09277	0.3
85.02962	1.0
85.83665	0.3
88.98820	0.4
93.03471	0.8
96.96019	0.4
101.02453	0.5
109.02976	0.3
111.00898	0.3
113.02494	0.5
117.84123	0.3
119.05030	1.5
121.02995	0.5
123.04557	0.5
125.02428	0.5
129.01962	0.4
129.10353	4.2
134.03748	0.3
134.06180	0.8
135.08072	0.3
137.02466	0.5
139.08759	0.3
143.11914	0.3
152.07236	0.3
154.08807	0.4
155.08205	1.4
155.82761	0.3
162.32903	0.3
163.04036	1.2
167.03560	0.4
171.11456	0.8
173.04622	0.5
175.03943	0.4
177.02014	0.3
179.15535	0.6
180.06665	3.9
191.05663	1.1
197.16632	0.8
223.14555	1.2
229.27473	0.3
247.14612	0.4
249.16072	1.5
275.14020	0.4
275.21207	0.3
289.07410	1.2
293.15103	1.9
342.24213	0.3
344.16177	0.7
360.23035	0.5
370.10327	0.6
371.10605	0.4
372.10712	0.9
489.34689	0.4
490.34747	0.6
531.69604	0.3
559.31354	23.4
594.23077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.1
59.01380	100.0
61.98832	19.1
62.16378	3.0
69.86028	11.7
71.01382	28.2
73.02928	6.7
80.96561	3.8
83.01384	5.3
85.02953	13.0
86.05492	2.9
87.00861	3.6
89.02452	9.5
93.03458	10.4
96.96026	4.5
98.20604	3.1
99.00842	3.9
101.02458	10.6
103.04034	3.2
113.02461	18.1
113.28853	3.0
119.03485	4.8
125.02471	3.1
128.12059	2.6
137.91566	3.0
142.46727	3.0
143.03546	3.4
143.10713	3.4
161.04552	3.1
173.04565	14.1
191.05591	8.1
230.09399	4.6
232.49808	3.7
241.09955	3.1
297.07602	3.4
311.05283	3.9
345.29871	6.3
489.34366	94.9
490.34573	7.5
497.06042	3.2
507.35318	29.6
549.36438	3.7
593.14886	14.9
593.25696	9.3
594.14606	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	594.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20322	0.3
58.09631	0.3
59.01373	1.1
61.98832	100.0
71.01400	0.7
71.53874	0.3
71.54246	0.4
73.51477	0.3
82.50018	0.4
83.01420	0.7
85.02944	0.6
87.00893	1.0
87.84666	0.3
89.02460	0.4
109.02982	0.7
111.00902	0.7
115.00365	1.6
119.05031	1.7
120.01247	0.4
123.04559	0.6
125.02461	1.1
135.04562	0.5
137.02460	0.8
139.00391	1.4
144.04526	2.2
145.02988	0.5
145.04884	0.5
149.02524	0.8
153.01949	0.3
156.00665	1.7
157.01424	2.6
161.02493	0.4
163.04034	0.6
165.01947	0.6
167.03510	0.8
174.01717	1.2
175.02502	2.7
175.03987	0.7
177.01991	0.8
188.03629	0.9
191.03545	1.2
191.05643	2.1
193.05109	2.3
205.01518	0.7
207.06602	1.2
233.04556	1.0
234.05386	1.3
235.02492	0.5
275.05576	0.5
279.08658	0.4
289.07260	1.2
296.06516	0.4
307.08218	10.7
308.08511	0.5
309.06152	0.4
310.40677	0.4
313.07376	1.1
325.07288	0.8
354.07303	0.5
355.08136	4.6
385.09344	2.9
415.10562	0.8
451.12607	0.4
463.66254	0.4
469.13446	6.9
470.14169	0.6
471.11749	1.7
475.12659	1.6
495.11722	1.0
505.13797	0.5
513.12598	4.3
514.14349	0.4
594.14600	2.2
595.16742	5.4
595.25537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03443	3.7
57.76415	1.1
59.01384	100.0
60.01699	1.1
61.98832	42.9
69.03472	1.2
69.16546	9.6
71.01387	13.6
73.02944	3.1
83.01409	4.6
85.02953	14.2
87.00863	2.5
88.98794	1.5
89.02435	2.7
95.01387	2.2
96.96014	1.0
97.02954	1.5
99.00866	2.1
101.02450	8.5
105.42011	0.9
108.02171	1.2
111.00903	1.3
113.02451	11.2
116.92847	1.1
121.02960	2.1
125.02537	2.3
143.03519	5.4
144.84264	1.2
161.04559	2.6
167.03523	1.6
170.74280	1.0
189.42004	0.9
191.05615	1.5
193.04959	1.3
284.03088	2.3
285.03879	1.4
299.25912	2.0
330.03635	1.1
345.30185	7.8
369.09665	1.5
370.10004	2.4
371.10428	3.8
413.12430	1.1
489.34360	53.4
490.34692	5.4
507.35434	21.9
508.35486	2.7
549.36523	2.9
593.15070	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	593.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31649	0.8
52.77428	0.8
54.84323	0.9
55.01883	0.8
57.03446	2.9
59.01379	100.0
61.98831	13.8
62.71881	0.7
69.86154	0.7
71.01380	11.8
71.23566	1.5
72.99344	0.8
73.02956	4.9
75.00879	3.7
83.01390	2.9
85.02950	15.3
85.23662	0.7
87.00898	1.6
87.04526	0.8
89.02449	2.2
90.59996	0.8
95.01379	1.8
97.79557	0.7
98.43272	0.8
99.00911	1.6
101.02435	7.1
109.02953	1.3
113.02458	6.1
117.42704	0.7
118.79527	0.8
119.03527	0.7
121.03001	1.1
121.10336	0.7
123.04551	1.1
125.02435	3.2
129.01935	2.0
134.03761	1.5
135.04500	1.3
137.02483	1.7
143.03516	2.6
147.03041	1.1
148.12686	0.8
149.02422	2.9
153.01926	0.9
161.02380	1.0
161.04591	1.8
163.03920	0.7
164.04807	2.1
167.03516	1.5
171.13904	1.2
173.00845	1.0
175.03996	1.9
179.05592	1.0
183.10255	1.0
191.05614	1.4
193.05043	2.4
223.05966	2.0
227.93343	0.8
284.03259	1.7
299.25925	2.4
313.03207	0.8
345.06244	1.5
345.30020	8.4
387.14615	1.4
388.72342	0.8
393.02979	0.9
422.07889	0.8
466.27237	0.9
489.34305	48.8
490.34692	5.6
501.89758	0.9
507.35275	9.9
549.36487	2.6
593.15137	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	593.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03448	5.3
59.01381	100.0
61.98830	13.3
70.55088	1.1
70.55441	4.2
71.01385	14.9
71.42313	1.1
73.02948	5.0
75.00825	1.1
78.05294	1.2
83.01392	2.5
85.02962	17.3
89.02445	4.2
95.01392	2.0
95.80694	1.0
98.20050	1.2
99.00885	2.1
101.02459	7.1
111.00903	1.9
113.02473	10.6
119.05010	1.3
121.02949	3.3
129.01926	3.0
134.03709	1.3
135.04538	1.3
143.03522	2.7
145.02838	1.6
149.02429	5.9
161.04578	4.2
164.04787	3.9
167.03442	2.3
173.04590	1.3
190.02708	2.0
191.05545	2.3
197.04520	1.4
205.04999	1.4
223.06161	7.1
245.31583	1.1
263.09036	1.5
284.03381	2.1
285.03992	1.7
299.25858	2.4
345.06195	1.5
345.30151	5.3
346.30035	1.3
489.34335	49.6
490.34521	4.7
507.35437	18.5
508.35394	2.7
549.35901	2.4
593.14893	2.1
593.68915	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91175	1.0
57.03437	3.5
59.01378	100.0
61.98828	14.1
63.42698	0.9
67.01870	1.5
69.03448	1.2
71.01382	15.0
71.44658	1.9
72.99277	1.4
73.02942	4.1
83.01385	2.7
85.02948	10.3
87.00865	2.8
89.02467	5.0
93.03468	8.4
95.01393	1.3
99.00884	1.9
101.02435	8.5
111.04543	2.6
113.02433	9.4
115.04015	1.2
125.02426	1.9
127.11211	1.4
132.44203	1.1
133.02960	1.4
137.02408	1.0
143.03497	3.9
151.11249	1.1
153.12854	1.0
155.03496	0.9
161.04546	2.4
166.02670	0.9
173.04555	13.7
173.06017	2.2
181.05026	1.9
191.05594	6.7
227.07101	1.3
285.03906	1.2
345.30048	14.7
346.30460	1.1
353.06403	1.2
387.14859	1.1
489.34305	34.5
490.34561	4.5
507.19046	1.5
507.35352	14.0
508.35696	1.6
541.20209	1.3
549.36285	2.7
575.21692	2.1
593.14594	3.2
593.22766	1.6
594.15778	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
59.01377	100.0
60.01678	1.2
60.99295	1.7
61.38349	1.1
61.98824	14.7
65.66542	1.2
67.01897	1.7
69.03455	1.8
71.01376	17.7
71.09184	1.3
71.09516	2.4
72.99289	2.2
73.02937	4.0
76.08995	1.2
82.97712	1.3
83.01398	1.6
85.02944	12.8
85.83969	1.1
86.27509	1.1
87.00867	3.4
89.02441	2.6
93.03461	11.5
95.01381	3.2
96.95973	2.7
97.55015	1.4
99.00890	2.3
101.02436	8.9
111.04524	2.5
113.02442	9.4
125.02436	2.2
135.04541	1.8
143.03479	5.1
154.50400	1.2
158.03677	1.4
161.04622	1.7
173.04576	15.4
173.05945	2.5
191.05632	12.0
199.07729	1.9
225.11327	1.5
227.07089	2.3
229.08693	2.5
311.05600	1.7
345.30167	11.5
353.06775	2.0
489.34314	46.2
490.34738	3.6
507.18906	1.5
507.35367	19.3
508.36005	1.6
549.36780	3.0
593.15076	3.9
594.14526	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	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47902	0.6
56.93560	0.6
60.64622	0.6
62.34173	0.5
71.30978	1.0
73.46171	0.6
78.95903	59.8
94.26967	0.6
96.96961	11.7
96.97596	0.9
119.53932	0.6
152.99582	89.0
153.99919	1.0
171.00641	2.8
214.37048	0.7
223.00122	10.5
241.01195	21.5
259.02350	1.1
277.21713	46.6
278.22040	3.5
315.04861	14.4
333.05997	1.1
476.21695	0.6
494.88287	0.7
593.27271	100.0
594.27557	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	593.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
61.98824	0.8
63.89272	0.4
70.39429	1.1
70.39756	0.6
72.75664	0.5
72.76105	0.5
78.19396	0.5
78.95907	62.2
96.96958	12.1
96.97587	0.5
111.86346	0.5
121.02945	0.6
150.98044	0.8
152.99591	54.5
153.99876	0.6
171.00551	0.8
223.00230	2.3
241.01202	28.4
259.02124	0.6
259.20691	0.6
277.21719	45.4
278.22101	2.4
315.04877	8.1
413.21027	4.6
431.22012	1.5
593.27325	100.0
594.27521	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	593.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70218	2.3
57.03440	6.4
57.95852	2.3
59.01376	100.0
61.98829	15.4
63.47990	2.2
71.01385	38.6
73.02952	12.5
78.98573	3.3
79.95733	24.1
80.96519	32.0
83.01378	5.0
85.02956	22.4
86.84113	2.9
87.00880	10.9
87.04458	2.4
89.02457	4.7
93.03436	3.7
94.98090	8.7
95.01354	2.5
96.96019	3.2
97.02937	4.0
99.00892	2.4
101.02450	21.7
103.38660	2.1
106.75790	2.2
106.98095	3.0
108.86587	3.0
111.00871	3.0
111.32946	2.2
113.02460	20.3
125.02401	6.2
134.97607	3.1
136.99185	3.1
143.03470	4.4
148.99117	5.3
161.04497	7.9
164.98630	5.8
171.13905	6.1
173.04552	4.7
191.05603	5.2
201.14883	3.4
225.00742	13.2
245.17555	8.2
298.64777	2.5
299.04636	3.3
343.28452	4.9
345.30099	31.5
441.32275	3.0
489.34335	97.3
490.34485	7.7
507.35318	71.3
508.35559	5.6
549.36389	9.3
593.15454	8.8
593.26160	71.0
594.26453	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	593.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
59.01378	14.8
59.23858	0.4
60.99306	15.3
61.98822	2.6
67.01887	0.6
69.68958	0.4
70.33063	0.4
71.01379	5.2
71.54960	0.8
72.99306	0.7
73.02942	3.0
75.00892	2.5
80.68688	0.4
81.29259	0.4
83.01382	1.0
85.02954	2.4
87.00862	0.6
88.98803	100.0
89.02456	2.6
89.99123	0.7
93.03465	2.1
96.25675	0.4
101.02437	2.7
113.01753	0.6
113.02467	1.7
119.03466	0.8
124.01652	1.2
125.02464	0.7
126.41987	0.4
126.90641	0.5
129.02037	0.5
134.03717	0.5
135.04492	0.6
137.02448	1.4
147.03108	0.5
150.05821	0.4
161.02531	0.5
161.04552	0.5
163.04031	0.5
173.04552	2.9
175.03964	0.9
176.04761	0.7
187.04004	0.6
191.05586	5.6
192.05879	0.5
198.27110	0.5
204.04138	1.2
205.04802	0.7
219.06497	0.8
220.06999	1.0
227.07185	0.5
230.01993	0.5
231.06593	0.6
259.75891	0.5
281.38779	0.5
283.06149	0.4
356.08533	0.5
369.09833	1.0
370.10135	1.0
371.10995	2.8
372.05783	0.5
387.09161	1.0
399.23819	1.7
417.24988	1.9
459.26022	1.5
578.15753	0.6
593.17413	10.8
593.25787	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2635
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
53.92737	0.6
55.35097	0.6
59.01373	2.1
61.98830	9.2
63.36520	0.7
63.96218	0.9
71.01379	4.9
71.54772	0.8
71.55144	0.7
73.02927	1.4
78.98588	4.0
79.95737	26.4
80.96517	46.9
85.02946	1.4
87.00876	2.0
94.98091	10.2
96.96010	0.8
97.02934	0.8
101.02436	2.7
106.98072	2.3
110.75288	0.8
122.97569	3.6
125.02451	2.0
134.97572	3.8
136.99142	1.8
148.99126	3.6
151.00362	0.7
152.98669	4.5
164.98605	8.6
165.75761	0.7
182.99690	1.3
191.05434	0.7
195.13965	0.7
206.99643	3.0
225.00723	14.9
241.00256	1.7
243.01738	1.6
247.05469	0.7
299.04376	2.6
311.05545	0.8
315.04007	1.0
353.06299	0.6
371.06534	0.9
399.09586	1.2
455.15918	2.0
495.18765	1.4
523.18494	1.0
524.19189	1.1
593.26300	100.0
594.26648	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40998	0.6
59.01373	0.8
61.09306	0.5
62.31918	0.5
62.96406	0.6
68.18716	0.5
70.28786	1.7
78.95901	62.4
95.33045	0.5
96.96963	13.0
98.19925	0.7
103.53401	0.6
110.97129	0.5
150.98042	0.7
152.99583	94.4
153.99915	0.9
159.19579	0.5
171.00635	2.3
201.71605	0.5
223.00095	10.3
233.22725	0.6
241.01180	23.6
242.01363	0.7
259.02185	1.6
259.20615	0.7
277.21710	52.0
278.22012	2.8
315.04858	14.5
333.06009	1.5
432.61789	0.6
513.28040	0.6
593.27283	100.0
594.27509	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	593.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01383	45.9
61.98831	4.8
66.64883	0.4
69.03464	0.8
69.41148	3.7
69.72292	0.5
71.01388	11.6
72.99317	0.9
73.02965	1.5
78.78398	0.4
83.01407	1.6
85.02961	5.8
86.03260	0.4
87.00908	1.5
88.98867	0.5
89.02445	9.6
93.03488	0.7
94.32475	0.5
95.01385	1.0
96.96017	0.5
99.00869	0.5
101.02456	7.0
109.06626	0.4
111.00900	0.5
113.02442	4.1
117.03440	0.5
119.01405	1.7
119.03503	3.0
119.05040	0.9
121.02959	3.3
125.02489	0.7
129.01941	1.4
131.03569	0.7
134.03743	1.7
135.04521	1.6
136.01674	0.9
137.02434	0.6
137.06017	0.5
139.11288	0.6
143.03456	0.8
147.00922	1.0
147.04585	0.8
148.01711	1.0
149.02443	13.2
150.03209	2.2
151.04016	1.8
152.01158	0.7
153.01924	0.5
161.02463	0.7
162.05653	0.5
163.04036	2.0
163.11305	5.2
164.04784	9.9
165.02017	0.7
165.05530	0.9
166.02768	0.8
167.03493	0.6
175.00360	12.3
175.01814	0.9
175.03883	0.6
176.01132	10.0
176.04359	0.5
177.01912	1.3
179.03580	0.5
179.05640	0.5
179.07193	1.6
181.05038	0.5
183.10233	3.4
186.66360	0.5
187.09816	0.5
190.02718	26.8
191.03506	12.7
191.05351	0.9
193.05121	1.1
205.05058	26.7
206.05739	1.9
207.03015	1.0
207.10260	8.2
208.03705	0.8
209.04530	2.4
221.08124	2.2
222.05316	0.7
223.06120	13.2
224.06535	0.7
237.07634	0.8
241.16045	1.1
250.04733	0.7
251.05534	0.6
265.07159	3.7
295.08316	1.0
315.01520	1.8
325.09317	0.7
329.03043	0.6
329.13956	1.7
330.03699	2.4
345.05997	2.2
356.09070	0.5
365.12369	4.7
366.13040	0.6
369.15515	1.6
371.11627	2.4
387.16602	100.0
388.16931	7.6
433.18951	0.5
497.16415	0.5
505.17603	0.7
519.18713	1.4
561.19763	1.3
593.22412	53.6
594.22632	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	593.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01718	0.6
60.99297	1.9
61.98833	1.7
71.01381	4.9
73.02951	1.1
83.01396	1.1
85.02946	4.4
87.00888	0.9
88.98808	13.6
89.02464	2.5
93.03472	4.3
101.02454	2.7
101.84317	0.6
107.01421	0.6
107.97275	0.7
109.02945	0.6
111.00877	0.7
113.02457	2.3
117.03495	0.8
119.05054	2.2
121.02959	16.1
123.04514	0.9
125.02443	1.3
129.01959	1.1
133.02962	0.7
135.04538	1.6
136.01691	1.4
137.02481	1.3
151.00311	0.7
151.03972	1.2
152.01126	0.6
155.83813	0.5
161.02412	0.6
161.04604	1.6
163.04024	2.5
165.02087	0.7
167.03519	1.7
173.04552	3.3
173.06009	0.7
175.04144	0.9
177.01913	0.7
179.03462	0.8
191.05589	8.3
191.07135	0.7
210.20726	0.6
227.12810	0.7
283.06238	1.5
311.05679	2.4
326.11691	0.6
327.09238	0.6
341.06558	0.8
341.10294	0.6
350.23782	0.5
355.08096	3.0
356.08884	1.7
356.12662	22.3
357.13113	1.3
357.22791	0.6
370.10803	1.7
371.11200	7.3
371.15140	40.9
372.15591	3.4
374.12836	0.8
399.23895	1.0
431.10150	1.1
533.16840	1.9
593.15283	2.0
593.28766	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	593.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.6
59.01391	10.9
60.99302	0.8
61.98834	8.1
69.44109	2.2
69.44534	3.9
71.01379	4.4
72.99274	0.9
73.02930	1.4
83.01389	1.1
85.02956	11.3
87.00900	0.9
88.98814	3.5
93.03463	1.7
95.01331	0.8
96.96004	1.8
99.00837	0.9
101.02422	0.9
107.01373	0.9
108.02183	0.8
109.02989	1.1
111.00899	2.9
113.02458	2.2
117.03461	2.0
119.05045	1.6
121.02943	3.4
123.00901	5.3
123.04545	1.7
124.01664	4.5
125.02462	1.4
129.01927	4.5
134.03760	1.4
135.04546	2.4
136.01649	1.3
137.01466	1.1
137.02448	13.9
138.03223	7.0
139.00337	1.1
145.02972	6.4
147.03038	1.5
147.04553	0.9
149.02437	3.8
150.03236	8.7
151.00360	2.0
151.03986	1.7
151.47969	0.9
152.01131	12.8
153.01907	1.3
161.02367	1.9
163.02760	1.3
163.04024	13.7
164.04817	4.5
166.02780	1.5
167.03488	2.4
175.03871	1.2
177.01877	2.8
177.05576	1.4
178.02736	13.9
179.03485	10.2
179.07118	1.7
182.02142	1.7
183.10237	2.6
183.52089	0.9
187.03990	1.5
188.04851	1.8
190.02713	1.7
191.01953	1.2
191.03656	1.8
191.05447	1.4
193.05057	2.6
195.02934	1.1
197.04567	3.8
197.49654	0.9
202.06345	1.0
203.07141	1.6
205.05045	3.2
206.05835	9.0
221.08247	2.8
223.06093	2.1
227.03528	3.1
240.31053	0.8
255.02930	4.6
257.04562	1.5
284.03247	6.4
285.04147	7.1
315.01532	1.6
316.02255	2.2
325.07224	1.0
326.08127	4.4
330.03824	1.8
331.04688	4.0
341.09964	1.6
345.06247	4.9
355.08209	5.5
356.09015	66.7
357.09280	3.1
371.11343	100.0
372.11734	5.9
387.16833	4.0
397.07733	1.4
549.12482	1.1
593.13171	8.5
593.28979	3.2
594.13739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33215	2.5
50.43889	2.4
57.03443	5.2
59.01378	96.8
60.99304	3.6
61.98821	21.5
68.99789	2.3
71.01383	52.9
72.99309	4.0
73.02937	8.8
81.03439	3.1
83.01381	5.5
84.02159	5.3
85.02944	37.3
87.00865	3.7
88.98808	31.0
89.02445	50.0
93.03481	2.7
95.01382	5.2
96.96026	4.2
97.39875	2.3
98.19865	6.2
99.00870	3.2
99.04556	2.7
100.53126	2.5
101.02429	35.2
108.02158	10.0
111.00860	3.9
113.02464	19.8
119.01385	3.2
119.03512	22.5
119.05035	3.6
121.02950	10.0
123.04510	2.4
125.02459	5.9
129.01965	12.7
131.03471	3.5
134.03767	4.7
135.04556	5.1
136.01640	5.6
137.02448	12.5
143.03520	3.9
145.02968	4.9
147.04456	3.6
149.02419	7.0
151.03912	2.7
161.02405	3.5
161.04536	18.4
161.05827	4.6
163.03954	3.2
163.07619	2.9
164.04781	5.9
165.01830	3.2
167.03433	3.7
175.03918	4.1
179.05605	8.0
183.10251	8.9
189.05447	4.3
190.06360	3.0
191.03561	2.9
193.01311	3.8
205.04962	3.2
206.49448	2.5
219.06480	3.9
223.06079	10.6
230.02113	4.2
253.15784	2.9
262.72650	2.7
270.01514	3.6
284.03198	5.3
285.03928	6.8
285.07590	4.1
297.14655	2.8
301.03329	3.3
328.05908	3.0
330.88419	2.6
345.06149	4.4
356.12219	3.6
371.11301	30.8
385.12933	100.0
386.13394	11.7
409.11188	3.8
484.76880	2.8
533.16669	18.9
593.16309	10.8
593.25000	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	593.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	3.7
59.01380	100.0
61.98825	1.6
69.49580	2.6
69.49989	10.5
71.01383	59.9
72.99313	3.9
83.01398	2.4
85.02966	10.1
87.00882	4.7
89.02446	92.9
95.01417	4.1
101.02441	29.1
101.79290	1.7
108.02145	3.5
109.18982	1.5
113.02451	27.2
119.03495	31.2
119.05023	3.8
121.02915	1.8
123.04550	2.2
124.93302	1.5
131.03462	3.6
131.05011	1.9
136.01663	65.9
143.03546	9.6
144.74100	1.6
145.02885	1.6
149.04565	3.7
151.04007	91.2
152.04369	2.0
159.04549	3.8
161.04602	8.0
163.04109	1.6
170.95181	1.5
177.37442	1.7
179.05598	40.8
191.05614	4.9
199.04002	3.1
217.05051	1.8
227.66670	1.8
259.38788	1.9
304.57568	1.9
307.06100	3.4
308.06802	11.6
315.01477	4.8
320.06699	2.7
323.09189	10.0
330.03793	4.4
341.10199	1.7
345.06232	8.7
353.10321	16.7
371.11240	8.3
407.35550	1.7
530.62207	1.8
533.16766	3.0
593.14105	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	593.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43405	1.1
57.03444	2.3
59.01378	21.5
61.98828	11.7
62.59131	1.4
71.01379	6.7
71.03662	2.6
85.02962	8.4
88.98815	4.0
89.02463	3.9
93.03458	6.7
101.02413	2.1
108.02168	6.7
109.02930	3.1
119.05018	9.3
119.85592	1.2
121.02941	8.9
125.02375	1.5
135.04510	2.4
136.01637	8.8
137.02434	4.6
149.02434	1.4
151.04008	7.9
159.04494	1.7
161.06017	1.7
162.03314	1.9
163.04019	6.2
165.01912	1.9
165.05586	1.9
167.03453	3.0
173.04514	8.2
173.05960	2.4
175.03984	2.9
176.04803	5.1
177.02020	1.6
181.04985	2.0
185.69104	1.3
187.03998	2.5
188.04796	3.9
189.05536	2.0
191.01872	1.8
191.03671	2.6
191.05586	17.3
191.07147	2.7
203.07112	4.6
219.06531	1.8
223.13405	5.0
303.61118	1.5
323.09067	2.4
341.10327	5.2
342.11075	3.1
343.10452	3.3
356.08826	1.9
371.11310	100.0
372.11792	7.6
530.33789	1.5
533.16364	2.4
593.15479	5.2
593.23456	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	593.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89212	0.3
53.19905	0.3
59.01373	1.6
63.02394	0.8
65.00343	0.8
69.22331	2.0
69.22753	1.2
70.32560	0.3
73.81336	0.3
83.01382	0.6
85.02946	2.0
89.02454	0.4
93.03472	2.1
95.40252	0.3
98.19855	0.7
101.02422	0.8
107.01384	2.3
107.72151	0.4
109.02937	1.0
113.02462	0.5
116.74865	0.4
117.03447	0.3
129.01947	0.5
132.02222	0.6
135.00847	1.8
137.02406	0.4
143.05014	0.9
144.29039	0.4
151.00386	2.7
157.06589	1.1
159.04497	1.0
161.02235	0.4
163.00374	1.7
164.01216	0.6
165.01884	0.6
167.03452	0.5
167.05003	0.4
169.06650	1.0
171.04517	0.8
174.03178	0.4
175.03932	0.7
183.04427	1.1
185.06058	2.5
187.04013	2.8
189.05507	0.9
191.05603	1.0
195.04492	0.9
196.05331	0.5
197.06067	0.8
199.03986	0.9
201.05557	0.8
211.03999	2.8
213.05528	2.2
214.02742	0.6
215.03482	0.5
227.03493	34.8
228.03856	1.7
229.05052	11.0
230.05370	0.6
239.03485	1.5
240.04286	0.8
241.05026	1.3
243.03078	0.5
255.02980	58.4
256.03601	5.9
257.04538	6.9
258.04834	0.4
267.03030	1.1
284.03262	66.5
285.04019	90.1
286.04395	4.5
327.05011	1.4
341.10114	0.4
593.15082	100.0
594.15375	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	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84167	0.3
57.03463	0.7
59.01379	2.0
65.02535	0.3
68.99837	0.5
70.66005	0.7
70.66354	0.4
71.01379	0.8
74.57269	0.4
75.00888	0.3
80.02670	0.4
81.03458	4.4
83.01382	3.4
83.15638	0.3
85.02940	1.3
89.53048	0.4
93.03440	0.7
95.01388	0.5
95.05027	7.4
97.02962	1.8
99.04520	2.4
99.05080	0.4
108.02183	1.3
109.02936	0.7
109.06609	0.4
111.04504	0.4
113.02428	0.4
119.04967	0.3
121.02982	0.9
122.03716	0.9
123.03637	0.5
123.04528	8.6
125.01520	0.7
125.02444	13.8
126.02789	0.5
135.04472	0.6
137.02428	2.2
137.06085	10.3
139.04001	2.3
141.05577	1.0
147.04533	0.6
149.02438	1.0
149.06023	0.4
150.03221	1.0
151.03999	1.4
152.98550	0.3
155.03513	0.5
161.02510	0.5
164.04834	0.4
165.01881	0.8
165.05577	5.2
167.03493	32.8
168.03798	1.1
177.01855	0.3
177.05577	1.0
177.38301	0.3
179.03481	4.7
181.05084	1.5
189.05641	0.4
191.03491	0.9
193.01463	0.4
193.05045	3.1
193.12276	0.6
194.12686	0.3
197.04539	1.1
206.08029	0.3
209.04543	100.0
210.04883	3.7
210.53401	0.3
221.04541	11.5
222.04982	0.4
229.50015	0.3
233.04579	1.4
235.13232	0.3
236.13646	0.3
239.03613	0.4
239.05597	10.2
240.06055	0.6
246.59196	0.3
251.05588	6.9
284.03195	0.7
285.04102	0.8
311.07794	0.5
329.08765	38.1
330.09189	2.1
341.08725	9.7
342.08954	0.8
473.10843	0.9
593.15088	41.1
594.15436	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	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54110	0.5
57.03434	0.5
59.01370	1.8
61.60031	0.4
61.98827	0.9
67.10374	0.4
69.77071	0.8
69.77482	1.5
71.01381	0.6
73.16528	0.4
77.03964	0.5
79.01882	0.7
79.39778	0.5
83.01398	0.5
85.02953	4.7
88.98759	0.5
89.02436	0.6
93.03435	1.1
96.95998	0.8
101.02435	0.5
102.05643	0.5
109.02935	1.1
111.00850	0.6
116.27469	0.4
117.03467	4.7
119.05049	1.0
121.02932	1.1
123.04485	0.8
125.02412	1.9
129.01921	1.0
134.03722	0.5
135.04517	1.1
137.02455	0.9
146.04599	0.8
147.02951	0.8
147.04533	1.1
149.02425	1.5
151.04012	0.7
159.04451	0.6
161.02422	2.5
163.00281	0.7
163.03979	1.6
165.01897	0.8
167.03438	0.5
170.49362	0.5
173.02501	0.5
173.04457	0.5
174.03200	0.5
175.00302	1.0
177.01892	1.4
178.99834	2.0
179.03430	0.8
179.05714	0.4
191.01909	2.4
191.03506	1.3
193.01390	0.5
193.04901	1.0
196.05287	0.6
203.03323	0.9
206.08218	0.5
209.02977	1.0
215.03300	0.5
225.05539	1.0
227.03601	0.6
239.07106	0.6
253.05058	0.7
264.08740	1.4
268.03827	2.4
269.04523	5.2
281.04547	4.6
282.05319	14.5
283.06116	20.4
284.06296	0.7
293.04572	2.0
295.02438	4.8
295.05850	0.9
297.04062	33.5
297.07462	1.6
298.04388	1.8
298.07971	0.6
309.03925	0.6
310.04803	1.3
311.05606	44.8
312.05884	2.9
314.04324	0.8
323.05753	2.1
341.06641	4.8
353.06763	1.4
383.07693	1.2
431.09802	7.9
473.10782	2.1
593.15063	100.0
594.15314	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	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17225	0.6
69.16747	6.6
69.18893	0.7
93.03458	1.5
117.03458	4.8
133.06509	0.6
135.04529	1.5
149.02409	0.8
159.04572	1.0
161.02385	2.0
163.03969	1.4
175.03984	1.0
177.01962	1.0
177.05513	1.5
179.03516	1.1
189.05646	0.7
191.03517	0.7
203.03423	0.8
205.05104	1.4
233.04549	0.7
249.78378	0.7
253.08775	0.9
282.05252	2.2
283.05991	2.4
295.06100	3.0
296.06784	2.8
297.04431	1.3
297.07666	19.3
298.08160	1.3
307.06158	1.9
309.07669	2.8
311.05658	3.0
323.05548	2.8
324.06293	0.9
325.07104	8.1
328.05844	2.0
335.05310	0.9
337.07220	2.6
353.06635	41.7
354.06931	2.6
356.05145	1.1
365.06616	5.1
383.07703	24.4
384.08032	1.0
395.07663	2.4
413.08694	1.4
425.08557	0.9
473.10858	11.6
503.11887	2.5
593.15076	100.0
594.15491	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	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03450	2.9
58.00604	1.0
59.01380	41.4
61.98843	1.4
71.01385	22.1
72.99319	2.1
73.02946	1.6
75.00897	0.7
82.70639	0.7
83.01398	2.8
85.02953	21.6
87.00876	1.0
89.02448	14.6
95.01393	1.2
96.95985	1.0
101.02449	10.2
103.01865	0.7
108.02187	0.9
109.02953	2.4
109.03695	0.6
111.00878	1.8
113.02445	5.0
117.03451	6.4
119.03490	5.1
119.05019	1.5
121.02912	0.6
122.34538	0.7
123.04523	2.2
123.88295	0.7
125.02432	2.1
129.01955	5.1
131.01396	2.4
134.03802	1.0
137.02437	1.2
143.03548	0.7
145.03008	1.2
146.03714	1.4
147.03012	2.5
147.04524	2.6
147.96271	0.6
149.02432	0.6
149.04556	0.7
159.04527	1.0
161.02422	1.6
161.04610	0.7
163.04021	1.1
165.05489	0.7
167.03531	4.9
173.01060	1.2
173.02483	3.4
173.04532	0.7
174.03279	0.9
175.00377	7.8
177.02003	0.7
179.05562	0.8
188.04695	0.9
189.05586	0.8
191.01956	7.9
191.03471	1.1
193.05060	1.4
209.02989	4.8
209.04732	1.0
220.05487	0.7
249.05623	1.1
265.05136	1.0
269.04605	4.5
281.04639	2.9
282.05380	3.6
283.06104	3.7
284.03223	1.0
293.04562	100.0
294.04843	6.3
295.06116	2.2
297.07794	2.0
311.05560	7.2
311.08878	1.2
313.10602	1.5
314.04312	1.5
323.05508	4.5
329.08798	2.0
335.05530	2.8
341.06638	2.4
345.15686	1.1
353.06726	1.1
355.07913	0.8
357.09918	1.1
362.26422	0.7
364.41733	0.8
383.07901	2.2
387.16699	0.9
401.08594	1.3
413.08768	56.8
414.09070	4.1
431.09708	1.3
467.65060	0.8
473.10782	3.3
487.77606	0.6
526.12408	0.6
593.15070	77.3
594.15582	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	592.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20070	0.9
59.01368	1.7
61.98829	100.0
71.54140	1.4
71.54539	1.0
80.18092	1.0
121.02946	1.0
135.04478	1.8
147.85182	0.9
209.48537	0.9
223.00005	1.0
224.67873	0.9
245.60277	1.0
270.32925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42707	0.7
57.02200	0.7
59.01371	1.9
61.98810	0.9
65.00346	0.6
69.80420	1.0
69.80702	3.2
71.01373	0.8
73.02927	0.8
73.14310	0.6
74.53345	0.6
85.02946	1.4
85.47848	0.5
110.00095	1.9
111.00874	0.8
121.02982	0.7
123.04546	0.7
136.98801	0.8
137.99591	0.7
139.00403	2.9
139.04005	1.0
143.05116	0.7
149.02440	5.4
149.99625	1.0
159.04498	0.9
161.06154	0.8
164.04808	0.8
164.98286	8.5
165.01897	0.8
165.99110	3.0
171.04604	1.0
173.06013	1.8
175.00351	2.7
177.99066	1.0
178.99794	0.8
180.04259	0.8
193.98601	1.0
199.03923	1.7
215.03470	2.2
231.03004	1.2
243.02919	4.5
253.54695	0.6
259.02487	2.7
271.02457	1.4
287.02005	8.4
315.01462	48.4
316.01859	2.3
330.03799	52.8
331.04147	2.7
341.10059	0.8
345.06140	100.0
346.06531	7.2
371.11142	1.8
495.09946	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90425	0.6
57.03439	1.0
59.01380	3.4
61.98827	1.1
70.37790	2.1
71.01383	1.6
73.02954	1.5
77.51009	0.6
82.55565	0.8
85.02943	3.2
87.00877	0.8
89.02415	0.7
92.65157	0.7
96.95998	3.4
101.02452	1.2
108.47394	0.6
109.02979	0.8
110.00098	1.6
113.02436	1.3
119.71420	0.6
121.02950	0.6
123.04509	0.9
123.12859	0.6
125.02493	0.9
129.01953	0.8
130.13072	0.6
132.05807	1.4
133.06578	0.7
137.99637	0.7
139.00352	1.3
139.04025	0.9
149.02467	4.1
149.99591	0.8
151.00371	0.6
163.03995	1.5
164.04721	1.1
164.98247	4.8
165.99089	5.7
167.03529	1.0
171.04533	0.8
173.58635	0.7
175.00458	3.1
175.03992	0.7
177.99075	1.6
178.99817	0.7
179.03467	0.7
183.10280	0.9
187.03993	1.4
189.01949	1.7
190.02740	0.6
199.04056	0.9
201.12845	1.7
202.02620	1.5
214.02882	1.0
215.03471	2.4
230.02184	1.6
231.02953	1.9
242.02071	1.1
243.02980	3.2
245.00854	1.3
257.15445	0.9
258.01682	7.3
259.02502	2.8
269.00760	0.8
270.01682	2.5
271.02341	2.0
272.42145	0.7
285.03922	1.2
286.01202	8.6
287.01978	21.5
301.03555	4.4
301.14496	5.3
302.04233	1.3
302.14606	0.7
303.67215	0.6
314.00662	3.7
315.01453	49.9
316.01877	2.3
323.08923	0.8
328.99820	0.5
329.03021	28.0
330.03793	49.6
331.04068	3.2
343.76428	0.6
344.05362	11.5
345.06140	100.0
346.06354	6.4
353.10278	2.3
371.11328	0.7
489.10413	0.8
507.11179	2.2
534.09967	0.7
549.03925	1.4
549.12494	28.8
550.12958	2.4
593.15186	0.9
593.28186	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76939	1.3
55.11502	1.1
57.03423	2.7
59.01378	56.6
60.01704	4.4
60.99276	1.5
61.98832	5.9
65.00309	2.8
69.21555	7.8
69.21981	4.3
71.01376	10.9
73.02946	5.9
76.53809	1.1
83.01392	3.4
85.02951	10.4
88.94695	1.1
88.98791	5.4
89.02435	5.3
91.75266	1.2
96.96008	1.9
98.20760	2.3
101.02442	7.0
102.02744	1.1
109.02953	1.6
110.00107	7.9
111.00879	3.5
113.02474	7.8
119.01377	1.4
119.03502	2.4
119.05048	1.5
121.02953	3.5
123.00864	1.9
125.02435	2.5
129.01910	4.0
134.03709	1.3
135.04549	1.5
136.98697	1.2
137.02432	3.5
137.99579	4.1
139.00334	5.2
145.02953	2.6
147.04462	1.3
149.02440	4.9
149.99657	1.3
152.01118	2.7
153.05542	1.4
161.04521	2.8
163.03955	4.7
164.04759	1.9
164.98326	6.9
165.99112	14.3
166.99826	5.3
167.03539	1.1
177.99049	1.3
189.49385	1.2
190.02637	1.4
193.02785	1.4
193.05051	3.0
199.03908	1.2
203.03546	1.6
205.03345	1.9
215.03441	1.5
223.06073	2.8
227.03473	1.5
242.02264	1.3
243.03064	2.5
257.04492	1.7
258.01718	2.7
271.02383	1.8
284.03220	2.6
285.03961	2.1
286.01089	3.3
287.01950	7.4
301.03561	7.2
314.00742	1.8
315.01453	17.1
316.01904	1.6
329.03061	22.1
330.03775	39.1
331.04285	2.0
344.05310	18.7
345.06116	100.0
346.06418	5.3
356.09045	6.0
371.11243	9.8
387.14304	1.6
388.14877	2.2
389.15073	2.9
477.21014	1.7
489.09988	3.9
507.11569	11.0
528.29340	1.3
549.03918	3.0
549.12457	55.1
550.12665	5.3
571.79236	1.4
593.14764	1.8
593.26355	2.0
610.23999	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.6
59.01382	100.0
61.98828	20.8
66.74165	2.5
70.36256	2.3
71.01382	12.4
71.54407	3.0
73.02950	3.5
83.01403	4.1
84.90804	2.6
85.02957	26.2
87.00893	3.0
88.98809	2.4
93.03487	3.6
99.00884	3.1
101.02445	5.7
113.02455	7.6
125.02468	3.9
129.01912	6.1
137.02470	3.2
143.73326	2.7
147.02980	3.1
147.04208	2.5
149.02383	3.0
161.04489	3.3
167.03481	3.7
181.77072	2.4
193.04819	2.2
199.26328	2.3
221.06029	4.1
222.06815	3.0
259.79727	2.4
343.28442	6.4
355.12219	6.2
370.14502	15.3
487.32770	39.1
505.33719	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	591.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	38.0
70.84180	23.1
70.86936	54.0
73.26665	29.1
73.58263	26.1
79.88087	22.4
88.96729	26.8
90.28291	26.6
116.44438	27.3
195.51588	23.6
201.78073	26.5
277.21674	100.0
300.54553	23.9
378.62366	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	19.3
58.02974	2.3
59.01381	28.9
61.98822	1.7
69.45066	1.7
71.01380	4.0
71.53834	2.5
73.02938	2.7
75.88442	1.5
85.02946	6.6
88.04028	3.0
93.60183	1.6
99.04497	3.4
101.02426	2.4
109.06587	12.6
111.04504	6.4
123.08109	1.8
132.03033	6.2
135.04533	2.2
135.08163	17.8
137.09718	13.9
138.06877	3.4
149.09724	3.0
153.09171	6.2
163.11285	7.8
164.07120	2.3
167.10760	8.0
177.09215	23.5
187.06696	1.6
191.05518	3.1
191.10760	6.4
193.12326	100.0
194.12622	3.7
206.08238	6.5
211.13387	38.4
217.12321	3.7
218.69766	1.6
223.04478	2.9
235.13390	25.4
250.07188	4.5
253.14461	20.8
255.12177	2.0
274.15707	2.1
282.05170	1.6
283.06122	2.7
297.07785	3.0
297.13397	9.9
311.05548	3.7
353.06516	5.3
380.25931	1.8
383.07822	3.6
414.53391	1.8
473.10626	3.2
593.15057	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	592.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45810	1.1
61.98823	4.4
68.92000	1.5
69.95204	6.2
83.01385	1.4
84.20747	1.1
91.60709	1.1
98.20497	2.0
108.02185	2.7
109.02946	22.9
137.02434	1.9
145.02971	1.9
155.94397	1.4
159.04482	2.5
167.03474	1.6
171.04489	1.4
173.02422	4.7
174.03195	3.0
185.06032	1.9
187.03905	2.6
188.01146	1.9
189.05493	1.5
195.04405	1.7
199.04001	3.9
200.04785	3.9
201.01915	4.0
201.05547	2.9
202.02704	7.9
202.04279	1.2
203.03403	1.5
209.06024	2.2
209.09680	3.5
211.07623	1.5
212.04605	1.4
213.01950	1.8
213.05525	2.3
213.09215	1.5
215.03458	2.8
216.04134	1.5
219.02737	1.3
219.08105	4.4
227.03508	3.2
227.10689	3.0
235.07619	2.0
237.09125	4.4
239.03406	5.3
241.05023	1.9
242.05873	2.4
245.10002	1.3
253.08708	1.7
254.05800	1.5
263.07114	1.8
276.10287	3.2
292.03571	2.1
325.07159	13.6
335.09274	3.0
342.16962	3.9
353.06583	26.2
354.06787	1.7
356.18546	2.5
368.08694	2.8
370.16574	44.9
371.16806	2.6
381.15680	1.5
384.18057	4.5
396.13925	1.6
398.15875	3.8
409.15320	7.0
413.18414	1.7
424.17679	67.8
425.17874	6.1
521.20477	3.6
535.12616	1.8
536.22925	2.8
548.22302	2.6
549.20111	4.2
564.22345	100.0
565.22784	7.6
592.21741	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	592.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78036	0.2
59.01377	0.5
61.98831	100.0
63.55360	0.2
69.94801	0.8
71.01373	0.2
79.95750	0.3
80.96510	0.9
88.06631	0.2
96.16798	0.2
173.04587	0.3
178.25998	0.2
191.05594	0.4
196.79762	0.2
218.07417	0.2
271.14743	0.2
395.28305	0.4
592.23834	0.4
593.16364	0.4
593.26532	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03278	0.8
61.98813	1.2
71.54253	1.2
72.71402	0.8
157.48605	0.8
262.88278	1.0
280.15646	0.9
443.22696	2.0
445.19788	1.4
459.21957	2.4
471.25946	2.5
472.23181	1.6
482.21240	2.3
485.19864	2.4
487.25180	1.8
497.23553	3.1
499.21130	4.0
500.22116	11.6
501.22458	1.7
504.34833	1.0
514.23059	1.2
515.24518	100.0
516.24878	12.6
516.93085	0.9
559.23706	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	591.2617
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.14241	0.6
59.01379	1.4
61.98809	0.9
71.45682	1.3
124.15639	0.5
153.60834	0.6
183.18480	0.5
303.29065	0.7
443.22379	2.1
445.19955	0.9
456.17737	0.6
456.23352	0.7
459.21930	2.0
471.25641	2.2
472.22885	1.2
473.23758	1.0
482.21085	1.4
485.19864	1.8
487.24954	2.1
488.22424	0.8
497.23651	3.2
499.21353	3.4
500.22226	11.0
501.22116	1.0
513.23358	0.8
514.23492	1.3
515.24524	100.0
516.24780	12.2
547.27258	0.7
559.23499	5.6
560.23376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84670	2.3
57.24345	2.1
59.01370	15.7
61.98837	4.3
63.74665	2.2
65.08400	2.0
68.99809	3.2
69.03448	3.5
71.01382	8.1
71.54736	3.8
85.02950	18.3
88.63902	1.9
95.01385	18.8
99.57951	2.4
101.02460	2.0
104.24108	2.1
107.05022	1.8
108.02170	95.0
109.02956	100.0
110.03299	1.9
113.02453	2.1
123.00855	14.9
151.04031	4.1
209.11807	2.9
267.54422	2.0
271.70905	2.1
277.21680	56.1
278.22052	3.9
279.23096	2.3
297.02390	2.2
325.59259	1.9
489.45807	2.2
580.31403	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	591.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
56.26588	0.5
57.03452	5.4
58.00573	0.7
59.01381	5.6
61.98802	1.8
65.07760	0.4
71.01370	3.4
71.55529	0.7
73.02940	2.4
77.84354	0.5
80.05531	0.5
81.77872	0.5
83.01375	2.3
84.02156	1.3
85.02950	39.6
87.00877	1.1
89.02442	0.7
93.03463	1.3
95.01389	1.0
96.95998	1.0
97.56288	0.6
101.02421	2.5
104.75783	0.5
108.02155	1.0
109.02953	1.4
111.00885	4.3
112.01072	0.5
113.02450	1.2
117.03480	0.7
119.05035	0.6
121.02937	4.0
122.03706	0.8
123.00870	1.7
123.04488	1.3
124.01671	0.8
125.02433	1.8
129.01950	8.8
133.02937	0.5
134.03738	6.2
135.04538	0.8
136.01662	39.3
137.02461	7.7
147.03014	4.5
149.02429	7.7
149.06136	0.7
151.00368	7.8
151.04007	51.6
152.01094	1.6
152.04567	1.6
153.05551	0.5
159.04514	0.9
160.01651	1.9
161.02461	1.2
163.03993	1.1
164.04779	5.1
166.01295	1.3
166.02715	24.7
166.72270	0.5
167.03520	3.7
173.00922	4.3
173.04500	1.1
175.04028	2.9
175.07614	1.0
177.01930	2.2
177.05544	0.8
179.03506	1.0
179.07118	0.8
181.05069	30.8
182.05469	0.9
183.10213	1.2
185.52266	0.5
187.03970	0.7
190.02667	1.4
191.01979	2.6
191.03552	0.8
191.05589	1.7
192.04276	0.6
193.05057	5.5
203.07321	0.7
204.04335	0.5
205.05084	3.1
205.08719	0.6
208.03786	0.9
209.04619	1.4
219.06528	0.7
223.06091	10.7
246.81871	0.7
255.02754	0.7
261.07605	1.5
284.03009	0.9
291.08762	1.0
323.07547	1.2
329.10388	1.5
341.09677	0.5
353.08807	1.1
357.09744	10.8
358.10223	0.9
367.06927	1.2
369.13440	0.8
372.12042	6.4
387.14484	100.0
388.14761	7.3
397.07724	1.4
445.20038	0.7
447.09369	0.7
591.15747	1.2
592.28198	0.7
593.55542	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21877	0.6
55.01867	1.0
55.20822	0.5
57.03452	2.2
57.64217	0.6
58.00595	1.6
59.01380	85.2
60.01730	1.1
61.98838	3.3
66.43261	0.6
69.03464	1.1
69.81159	0.6
70.25877	2.3
71.01381	27.0
72.99326	2.2
73.02947	24.5
75.00883	1.4
81.03461	0.9
83.01392	7.6
85.02952	14.6
87.00879	2.1
88.98822	1.3
89.02450	14.9
93.03493	1.4
95.01376	3.1
96.96009	0.9
97.02933	1.1
99.00893	1.3
101.02446	17.3
107.01425	1.2
108.02185	9.8
109.02953	4.8
110.00058	0.9
111.00895	1.9
113.02458	6.4
117.03554	0.7
119.03484	5.4
119.04984	0.7
121.02975	1.6
121.06561	0.8
122.03815	0.8
123.00866	5.3
123.04530	1.2
124.01669	15.4
125.02462	5.1
129.01949	2.8
129.69147	0.5
130.08719	0.7
131.03485	1.8
133.02972	0.8
134.03772	1.1
135.04535	1.4
136.01686	1.0
137.02452	3.4
139.04031	6.7
143.03525	1.9
145.02939	1.0
147.02954	1.0
147.04485	1.1
148.05298	1.9
149.02454	2.2
149.04613	1.0
151.00363	3.1
151.03993	1.4
152.01149	9.9
153.01947	2.3
155.03461	0.9
159.04509	1.7
160.05338	1.2
161.02470	4.9
161.04523	3.5
163.03990	1.5
164.04774	1.4
165.01959	0.9
166.02667	1.4
167.03470	2.0
173.00890	1.2
175.04027	6.8
176.04750	4.5
177.01933	1.7
177.05582	2.9
178.02641	1.4
179.03450	1.4
179.05624	6.3
179.10823	1.3
187.04019	1.7
189.01962	3.7
190.02707	0.8
191.01955	1.4
191.03534	4.8
191.05585	1.0
193.05063	0.8
194.02023	1.0
203.03505	4.6
204.04266	19.6
205.05017	5.2
206.05547	0.7
208.03732	0.7
219.03027	2.7
219.06604	24.6
220.06915	0.7
221.04517	0.6
222.05376	1.0
223.06120	1.7
224.93748	0.6
236.03313	1.2
255.02800	0.7
341.06586	1.5
354.07510	5.2
355.08133	1.7
369.05112	1.4
369.09769	28.2
370.10016	2.1
371.09766	1.9
373.09265	2.2
405.82211	0.7
441.20679	0.7
460.12103	0.6
487.32574	1.2
505.33932	0.7
531.15186	1.2
541.00085	0.7
543.09680	0.7
549.16357	1.5
573.16443	1.0
576.14832	10.5
577.15070	1.1
591.17163	100.0
592.17560	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	591.1722
Annotation	1,2-Bis-O-sinapoyl-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03450	14.6
59.01384	42.4
61.98835	9.6
67.22344	1.5
69.03437	1.9
69.63501	6.0
69.63912	2.8
71.01382	22.7
71.05025	2.2
72.99304	4.0
73.02946	10.0
75.00526	1.6
75.00878	16.1
78.95886	1.4
81.03448	4.0
83.01389	4.8
84.02126	2.3
85.02953	77.0
87.00887	5.1
88.98795	2.5
89.02451	10.8
93.03464	4.2
96.96000	9.5
97.02943	1.9
98.20634	3.4
99.00930	1.9
99.04528	5.1
101.02435	12.6
109.02997	3.6
111.00891	9.7
113.02452	9.8
119.03475	4.0
119.05004	2.4
121.02959	15.9
123.04531	4.5
125.02432	6.4
129.01971	14.0
131.03470	2.0
132.02177	1.8
133.02975	2.8
134.03741	11.1
135.04468	5.4
136.01643	1.5
137.02390	2.3
143.03514	8.6
147.00993	1.4
147.03014	12.5
147.04498	5.0
149.02446	61.9
149.06093	2.2
150.02893	2.0
151.00421	1.6
151.03967	4.3
152.01126	5.1
153.05539	1.6
154.99878	1.6
160.01678	2.1
161.02409	3.4
161.04521	10.0
161.13335	2.7
163.03963	4.2
164.03502	2.9
164.04810	44.4
166.02722	2.0
167.01805	1.2
167.02029	1.2
167.03455	8.3
173.00906	7.1
173.04568	1.8
175.00404	8.9
175.03987	3.8
179.03450	2.3
179.04012	2.1
179.05594	25.8
179.07169	5.4
181.05048	3.0
183.10266	11.6
190.02727	28.2
191.02000	27.2
191.05603	3.5
192.99760	2.2
193.01384	7.4
193.05096	10.6
195.03008	2.4
205.05061	55.9
205.12325	5.6
206.05418	2.1
208.03790	12.4
209.02945	4.8
209.04654	1.9
223.06122	100.0
224.06493	4.4
227.03519	1.6
249.11314	4.0
253.04747	2.5
261.07788	1.6
271.05743	2.3
282.92252	1.6
284.03223	3.0
285.04080	1.4
289.07010	2.3
304.83099	1.4
323.11362	9.3
334.68686	1.9
335.11325	2.0
365.18109	4.9
367.06253	2.6
367.10364	19.1
369.13712	2.1
385.07144	1.9
385.11243	3.9
387.14563	7.4
399.10709	1.7
411.16339	5.2
415.08731	2.8
429.16772	2.0
429.21585	3.3
447.09326	1.6
547.27612	7.2
591.22998	39.1
592.23413	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	591.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92173	0.3
52.97615	0.3
53.73001	0.3
57.03440	0.5
59.01378	55.9
59.16345	0.3
60.01726	0.4
61.98842	1.7
69.03436	0.4
71.01400	1.6
71.55387	0.3
73.02951	1.0
75.00880	0.6
78.73833	0.4
83.01426	0.4
84.02168	5.4
85.02944	3.8
89.02445	0.5
89.69115	0.3
91.01948	0.4
93.03483	0.9
95.01374	0.8
97.02969	0.4
101.02461	0.7
101.90266	0.3
107.05049	0.6
108.02175	7.4
108.02917	0.5
109.02958	2.0
111.00868	0.7
117.03462	0.5
119.05047	0.9
121.02959	7.0
123.04501	1.1
124.87713	0.3
125.02493	0.5
127.37141	0.3
129.01974	1.0
130.04225	0.4
131.05028	0.8
133.02986	0.7
133.06595	0.7
134.03752	1.0
135.02997	1.3
135.04533	1.3
136.01640	4.6
137.02426	2.9
143.05035	0.9
145.02914	0.6
146.03694	0.4
147.04500	2.0
148.05252	0.5
149.02477	0.4
150.03226	1.4
151.03984	0.8
152.01175	0.3
158.03761	0.4
159.04500	2.1
160.05292	0.8
161.02483	0.4
161.06079	3.5
162.03191	0.8
162.06779	0.6
163.03986	1.6
163.07657	1.5
164.04677	0.8
165.01900	2.5
167.03476	0.6
171.04561	0.6
173.00909	0.3
173.05939	0.7
175.04018	2.4
176.04762	1.1
178.02734	1.0
182.02167	0.4
187.60413	0.3
189.05592	3.1
190.02769	0.5
190.06311	1.8
191.01997	0.4
191.03474	1.6
191.05605	0.5
191.07111	3.2
193.05074	1.1
201.05632	1.3
204.04300	2.0
205.04947	0.4
216.04411	0.4
218.05917	0.4
219.06593	7.3
220.10007	0.3
223.06120	1.1
223.13394	0.8
234.05260	0.4
250.57350	0.3
263.07306	0.4
282.09250	0.3
283.09750	1.0
308.81894	0.4
311.09216	2.3
323.08945	0.5
339.08725	2.8
340.09491	5.2
341.09897	1.2
348.93848	0.4
351.08618	0.4
369.09756	100.0
370.10095	7.3
378.01584	0.4
385.14990	1.5
386.25122	0.4
429.17618	0.5
487.32422	0.5
591.16522	1.4
591.26910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1716
Annotation	Fagovatin
Peak:m/z	Relative Intensity
55.01867	0.8
57.03437	0.7
59.01377	27.5
61.98809	0.9
67.01887	0.4
69.03425	0.5
69.43824	1.2
69.44244	1.2
71.01379	14.4
72.99298	1.0
73.02942	24.8
75.00866	0.5
81.53697	0.3
83.01387	6.1
85.02955	4.4
87.00860	0.6
87.54817	0.3
88.42014	0.3
89.02422	1.7
93.03460	0.7
95.01382	1.1
95.72438	0.3
97.02946	1.0
99.00880	0.7
101.02440	12.3
106.04242	0.4
107.01367	1.0
107.04992	0.4
108.02170	1.1
109.02931	0.3
110.00095	0.7
111.00881	1.4
113.02440	2.4
119.03526	0.4
121.02922	0.5
123.00871	2.7
124.01662	11.2
125.02456	3.2
126.31651	0.3
129.01909	1.4
131.03511	0.8
131.05038	0.4
133.02971	0.5
134.03716	0.8
135.04520	3.5
136.01640	0.9
137.02452	1.8
139.04010	5.9
143.03511	0.3
143.05026	0.4
147.02965	0.7
147.04489	0.9
148.05312	2.5
149.99480	0.4
151.00374	2.7
151.04041	1.8
152.01122	2.5
155.03421	0.4
159.04492	0.7
160.05251	1.8
160.99185	0.3
161.02457	5.0
161.04492	1.5
161.05832	0.4
162.91071	0.3
163.03969	0.8
165.01950	0.6
166.02679	1.1
173.00903	0.6
173.04613	0.5
175.03993	8.2
175.05507	0.5
176.04770	5.9
177.01875	1.7
177.05539	0.6
178.02628	0.4
179.03491	3.1
187.03976	1.4
188.04784	0.5
189.01941	2.5
191.01976	0.6
191.03481	4.0
191.05554	1.1
194.02238	0.5
203.03503	3.6
204.04274	23.2
205.04999	3.5
208.03743	0.9
219.02998	1.3
219.06609	26.3
220.06879	1.1
221.04526	0.6
222.05309	0.5
223.06171	0.4
236.03253	0.8
242.02106	0.5
270.01843	0.7
275.81012	0.3
298.01053	0.5
307.27750	0.3
310.08139	0.4
324.06708	0.4
325.07147	0.5
337.07437	0.4
339.08975	0.6
341.06409	1.6
350.64191	0.4
353.06613	0.7
354.07480	4.4
355.08298	1.8
369.09763	32.6
370.10074	2.5
372.08307	0.5
373.09204	1.5
427.10370	0.5
428.10715	0.4
531.15289	0.8
549.15894	1.9
576.14722	8.8
577.14838	0.7
591.17120	100.0
592.17505	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	591.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01148	4.8
59.01373	17.4
61.98810	6.9
69.29888	50.4
75.00832	8.8
77.95546	6.4
83.01389	11.9
85.02972	6.4
87.00877	11.5
88.98795	10.2
93.03461	5.4
96.95994	20.2
98.20620	9.9
103.00361	10.3
109.02975	10.9
111.00905	9.4
114.35310	5.9
115.00373	20.9
119.05064	6.3
123.04496	9.0
125.02454	13.4
135.04529	8.9
137.02438	8.5
139.00363	28.8
144.04567	100.0
149.02403	10.4
156.00630	11.2
157.01424	29.4
159.30434	5.6
161.02490	8.9
163.04034	12.8
174.01646	15.3
175.02464	19.1
179.03426	5.8
187.57439	5.5
188.03540	58.4
191.03481	8.7
191.05647	9.2
191.82852	5.3
193.05072	21.5
207.06604	14.9
233.04509	14.2
234.05275	13.4
282.21713	6.3
307.08237	87.9
405.84677	5.7
407.75903	5.8
426.17838	5.8
443.16507	6.2
469.13626	29.1
471.11478	11.8
513.12427	22.4
591.15973	8.3
591.25940	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	591.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
57.03450	12.4
59.01380	4.7
61.98822	1.1
68.99831	0.8
70.29253	1.2
70.29615	0.9
71.01384	3.2
71.27283	0.5
72.99303	0.6
73.02943	1.1
75.00845	0.9
83.01387	5.0
84.02176	1.7
85.02953	100.0
86.03302	1.3
87.00876	1.4
88.98796	0.5
89.02457	1.0
93.03481	0.6
95.08038	0.5
96.96027	1.0
97.02935	0.6
98.20022	0.6
101.02428	1.5
109.02946	0.7
111.00877	11.5
111.04491	0.5
117.03471	1.5
119.03506	0.6
121.02918	2.6
123.04485	0.6
125.02477	1.2
127.54623	0.5
129.01949	26.4
134.03754	14.7
135.04536	1.4
137.02458	1.1
147.03006	13.3
147.04257	0.5
147.04626	0.7
149.02449	9.4
149.06097	2.3
160.01639	3.1
161.02402	1.3
163.04010	0.7
164.04778	7.1
173.00919	9.1
175.00343	0.8
175.04019	3.9
178.02658	1.3
179.03511	0.7
179.07117	1.2
183.10217	0.6
190.02721	2.1
191.01962	8.1
191.03600	0.9
193.01360	0.6
193.05063	13.1
205.05084	3.3
209.02989	1.2
223.06111	13.6
261.07745	2.5
291.08789	1.7
323.07730	3.1
335.64188	0.6
353.08813	2.4
361.75522	0.6
367.06766	1.9
385.07922	0.6
397.07846	2.3
415.08676	0.8
504.13458	0.6
524.84668	0.6
591.26959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
57.03448	13.9
59.01368	2.1
64.03820	0.6
68.99825	0.8
69.29011	5.5
71.01373	2.7
72.99311	0.9
73.02956	1.3
83.01387	6.6
84.02168	1.5
85.02950	100.0
86.03265	0.9
87.00867	0.6
101.02451	0.9
111.00883	12.5
114.49448	0.7
117.03450	2.5
119.05020	1.1
121.02959	2.2
124.38138	0.6
125.02475	0.8
126.02730	0.6
129.01952	42.5
134.03746	15.5
135.04289	0.6
137.02463	0.9
138.03148	0.6
147.03004	10.5
149.02438	12.4
149.06064	1.8
160.01686	3.0
163.04015	2.1
164.04802	7.1
167.03476	0.7
173.00911	15.1
175.00290	0.8
175.03998	3.8
178.02718	0.9
179.07126	0.8
190.02750	3.6
191.01982	8.9
192.52795	0.6
193.05051	16.5
194.05373	1.1
205.04990	2.9
208.03780	1.1
209.02905	0.8
209.04652	0.7
223.06134	12.3
224.40509	0.6
261.07700	1.8
279.05148	0.9
289.07227	0.7
291.08743	2.6
323.07538	3.2
353.08740	1.3
354.77649	0.7
367.06720	3.8
376.79901	0.7
385.07672	1.8
397.07840	2.4
415.08475	0.7
449.33383	0.6
615.01276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41014	0.4
59.01377	100.0
60.78095	0.4
61.98837	0.7
64.88329	0.5
71.08653	0.8
75.08181	0.4
110.52730	0.4
137.30353	0.4
137.66711	0.4
141.96603	0.4
198.54303	0.4
277.21707	8.3
278.22220	0.6
490.59662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
61.98830	0.9
67.01910	0.7
69.31641	0.8
69.31974	4.8
71.01380	7.4
85.02955	4.0
93.03464	2.7
96.96026	4.8
105.48443	0.6
111.00842	0.7
111.04539	1.3
115.00385	15.3
120.04556	49.7
121.02959	13.4
121.04889	1.2
125.02431	1.3
129.01939	0.9
134.03693	0.8
135.04532	7.9
146.06128	0.8
147.04536	0.6
148.07654	4.4
155.03502	1.0
161.02431	1.1
164.07156	2.5
173.04530	14.8
174.05609	7.1
179.03510	10.5
191.05605	7.5
192.06659	16.7
218.04576	3.1
236.05637	100.0
237.05997	4.0
353.08804	12.1
354.09308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.1
60.19479	1.0
63.51362	0.9
67.86919	1.1
68.99811	2.8
76.62659	0.9
108.02173	2.9
109.02937	3.9
111.00861	1.5
112.07713	1.4
114.05624	5.6
123.04483	1.2
123.30585	0.9
124.01658	1.0
130.08742	2.2
137.02431	1.3
141.07086	1.7
145.02904	1.9
153.07112	2.1
153.41220	1.0
156.10303	2.6
158.03714	1.4
159.04498	7.2
160.01695	2.0
161.99570	6.6
167.03517	2.2
167.04958	1.6
169.10226	2.0
171.04552	1.2
172.05310	2.9
173.02368	2.1
173.06076	2.7
181.06554	2.5
181.10136	1.0
182.03656	1.5
182.05379	0.9
183.04506	4.1
183.08224	1.0
184.05334	3.6
185.02397	1.3
185.06070	3.9
186.03239	2.2
187.03989	13.7
188.01129	5.3
188.04785	1.9
189.99062	8.4
193.06548	1.1
195.04510	5.7
195.08150	1.2
196.05246	2.2
197.06105	5.4
198.06871	1.6
199.03946	1.8
199.07639	4.5
200.01170	1.3
201.01910	6.1
201.05602	2.4
204.04242	2.0
205.01404	27.9
206.01643	1.0
207.08139	1.8
209.06139	5.4
209.09737	7.9
210.06892	1.2
211.03992	17.1
211.07544	1.3
212.04732	9.2
212.29810	0.9
213.05530	2.8
213.09166	2.7
214.02660	1.4
214.06430	1.2
215.03481	12.9
216.04085	1.7
217.01448	1.5
217.06589	3.6
219.08147	1.4
223.03995	3.2
223.11359	2.6
223.33339	1.0
225.01889	1.1
225.05513	2.7
225.09151	1.5
226.06195	1.4
227.03494	2.2
227.07172	7.1
229.05072	3.8
229.56937	1.2
231.08127	1.1
235.07576	6.3
236.08069	1.2
237.05582	2.7
237.09166	4.8
238.06306	1.1
239.03537	4.1
239.07040	1.5
239.10976	1.6
240.04178	3.0
241.04956	1.1
241.12511	0.9
249.09172	3.1
251.06866	1.3
251.10866	1.2
254.05907	1.5
255.06644	5.6
258.05203	1.4
263.07141	6.5
267.10208	2.3
276.10364	1.7
281.08154	2.3
284.16434	2.7
289.05103	1.1
307.06372	1.0
315.06650	1.5
324.16037	6.9
328.15555	10.3
333.03970	2.1
334.14478	1.6
335.05609	2.4
340.15305	1.5
343.02353	2.2
343.06067	1.9
350.14047	2.3
352.15494	10.2
356.18445	2.5
361.03479	1.8
368.15030	11.0
371.08951	1.1
378.13431	3.6
382.16571	3.2
384.18158	25.0
396.14545	47.5
397.14890	3.6
410.16223	1.2
411.16858	100.0
412.17105	8.4
422.16122	3.7
439.16318	37.9
440.16650	3.5
487.19656	1.1
503.19336	1.1
514.15131	2.2
516.16650	2.6
531.18707	4.4
544.19714	2.3
546.21198	4.7
562.12640	1.8
562.20905	25.5
563.21454	2.8
572.19238	22.0
573.19513	2.3
590.20306	86.8
591.20630	8.8
616.04718	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20427	4.5
57.09843	4.2
59.01379	24.3
59.43456	3.9
61.98827	55.9
69.54160	28.7
71.01351	4.3
76.34805	4.3
91.01222	4.5
100.69036	4.7
101.02443	5.1
109.21674	4.3
116.99615	4.2
117.59264	4.3
171.10132	6.2
195.13828	7.4
253.09204	37.4
275.20129	10.5
293.21201	100.0
294.21426	6.7
469.38086	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	589.2292
Annotation	Lydenburgenin
Peak:m/z	Relative Intensity
55.01894	0.5
57.03446	1.8
58.00601	0.8
58.68658	0.6
59.01382	21.3
61.98833	1.4
71.01382	16.8
72.99308	1.1
73.02940	3.1
75.00871	0.6
83.01400	2.3
83.05026	0.6
85.02953	9.2
86.92554	0.4
87.00889	1.1
89.02452	10.9
93.03462	1.3
95.01400	1.5
96.95981	0.9
99.00882	0.7
101.02445	13.0
111.00913	1.0
111.04537	0.8
113.02452	6.9
117.03468	30.9
119.03642	3.8
119.05029	24.7
119.05935	0.6
120.05350	0.7
122.03789	0.5
123.04564	0.7
129.01976	1.2
130.08711	0.6
131.03500	1.0
133.06522	0.5
135.04504	0.8
137.02480	1.3
143.03523	0.6
145.02953	100.0
146.03302	2.7
149.02481	0.4
151.00385	0.4
151.04050	0.5
159.02951	0.5
161.02394	0.5
161.04659	0.8
161.06059	2.1
163.04002	21.9
164.04355	0.8
165.01889	0.5
165.05554	0.6
167.03482	1.2
177.05550	0.6
189.12794	0.8
195.06635	0.5
201.05608	0.8
201.13065	0.5
205.05031	1.1
209.04572	0.7
219.03038	0.7
219.13797	0.7
237.14966	1.0
371.11322	0.9
412.07938	1.0
427.10260	3.6
428.11093	0.6
436.85516	0.5
443.19202	75.6
444.19479	6.1
545.23920	12.5
546.24542	1.7
589.22870	70.9
590.23151	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.2
65.03926	0.5
67.01865	0.4
68.99830	0.5
71.01358	0.5
73.68431	0.4
74.30098	0.5
75.51362	0.4
84.02156	9.0
93.03442	1.7
95.01371	0.5
107.01463	0.5
108.01472	0.9
108.02171	12.7
108.02917	0.7
109.02948	4.0
119.05033	1.7
119.24857	0.4
121.02947	11.0
122.03715	1.4
123.00850	0.7
123.04537	0.9
131.05022	1.2
133.02951	1.0
133.40514	0.4
135.00890	0.4
135.04488	1.3
136.01660	7.3
137.02461	3.9
138.34990	0.4
145.02939	0.9
147.04498	3.2
148.05214	0.6
149.02449	1.4
150.03197	1.8
151.03966	0.9
159.04570	0.9
160.05153	0.5
161.02377	2.1
161.06039	3.5
162.03197	2.2
162.06866	3.0
163.03990	2.6
163.07687	2.2
165.01917	3.3
170.53282	0.4
171.04489	0.6
172.05244	1.0
173.06052	0.7
174.03194	0.9
175.03978	7.6
176.04778	2.4
177.05508	1.0
182.02203	1.0
187.03995	1.0
189.05562	3.5
190.06339	7.4
191.03442	2.3
191.07141	3.6
193.05055	0.8
202.06253	0.5
204.04221	2.5
205.08685	1.2
219.06604	5.0
220.07336	1.7
220.24573	0.4
235.09711	2.2
279.06830	0.7
284.10458	0.7
299.12814	1.0
312.10095	0.5
324.09872	0.5
327.12320	2.9
339.12228	0.7
355.11719	2.3
356.12604	6.3
357.13364	1.5
367.11801	0.7
376.66034	0.5
385.12891	100.0
386.13184	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	589.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25148	0.4
59.01377	14.1
63.07651	0.5
65.00341	0.5
65.91082	0.5
68.87450	0.5
68.99812	1.0
69.03453	0.8
70.29712	0.6
70.30061	1.4
79.88025	0.4
80.18931	0.4
80.58809	0.4
83.49966	0.4
84.02164	3.8
85.02901	0.4
93.03468	0.7
107.05016	0.5
108.02172	6.6
109.02973	2.4
121.02912	2.2
122.03693	1.4
123.00859	1.2
123.04533	1.5
124.01646	0.8
125.07339	0.4
131.05009	0.7
133.02954	1.1
135.04504	1.4
136.01668	7.9
137.02428	3.2
143.05057	0.7
146.03703	0.8
147.04553	2.4
147.08159	0.6
148.05261	1.2
149.02408	1.2
150.03207	1.3
151.00336	0.9
151.03957	1.2
153.50327	0.5
159.04533	0.7
161.02419	1.6
161.06097	1.3
162.03212	0.7
162.06824	1.0
163.03973	2.8
163.07620	3.2
165.01895	3.9
171.04532	0.5
173.06102	1.1
175.04004	3.9
176.04750	2.2
177.05551	1.8
182.02126	0.8
187.03891	0.6
189.05536	2.0
190.06328	2.9
191.03477	2.5
191.07086	3.7
193.04950	0.7
201.05548	1.1
202.06372	0.6
203.03494	0.5
204.04292	2.7
205.08690	0.8
217.04971	0.6
219.06590	7.3
222.34433	0.4
231.76573	0.5
233.00896	1.6
235.09737	0.7
309.07822	0.8
327.12207	2.2
340.09500	0.5
355.11905	2.4
356.12662	1.2
385.12903	100.0
386.13260	8.6
387.86597	0.5
411.07053	1.0
557.13434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29820	0.9
57.03451	4.9
59.01380	23.0
61.98829	5.7
65.31918	0.6
67.01892	1.6
68.73309	0.8
68.99805	1.0
69.03462	3.2
71.01376	5.5
71.05020	3.6
72.99306	1.9
73.02940	2.2
76.62280	0.7
83.01382	2.5
85.02949	32.8
87.00892	0.9
89.02432	1.9
91.01913	0.9
93.03461	3.6
95.01360	1.6
95.05051	0.8
96.95956	0.8
97.02973	0.7
99.00899	0.7
101.02453	2.5
104.51840	0.7
107.05014	1.4
108.02171	10.7
109.02960	5.7
111.00863	5.4
113.02492	1.1
117.03470	0.9
119.05032	6.1
120.17503	0.7
121.02957	12.7
122.03743	2.5
123.04484	1.2
125.02458	1.2
129.01939	15.9
130.04262	0.8
131.04820	0.7
133.02916	2.0
133.06541	0.8
134.03735	6.0
135.00922	0.8
135.04526	4.0
136.01651	22.6
137.02475	6.2
137.09625	0.9
143.05035	2.4
145.03055	1.0
145.06622	2.3
147.02977	2.3
147.04533	3.6
149.02444	1.7
149.06116	0.9
151.03983	4.2
151.64992	0.7
153.01912	0.9
155.04619	1.1
159.04532	2.7
160.01636	1.6
161.02396	2.8
161.06055	3.8
163.04016	6.7
165.01906	11.6
171.04547	4.3
171.10352	1.0
173.00937	6.2
173.06027	3.2
175.04047	5.1
176.04787	2.8
177.01990	4.1
177.05595	1.6
179.03485	2.2
183.04504	1.0
186.03246	1.1
187.03925	1.0
189.05595	2.2
190.06334	1.5
191.01932	1.8
191.05563	1.2
191.07166	2.6
193.04965	3.9
201.05598	2.4
202.02682	3.5
204.04294	0.9
205.01312	1.0
205.04987	1.1
217.05057	5.0
219.06627	12.4
221.11794	3.6
233.00893	9.0
247.06059	1.2
251.06985	1.0
261.07861	1.0
270.01797	1.0
279.06635	1.0
289.14529	1.0
310.51071	0.7
323.07773	1.0
325.07214	4.2
337.07236	1.7
342.11044	2.1
349.07156	1.9
351.14371	1.0
355.08109	1.4
356.12665	2.2
357.13409	1.8
367.08170	5.0
370.10504	11.5
371.10721	1.2
379.06693	2.9
385.09378	10.1
385.13068	100.0
386.13483	6.9
386.42178	0.8
395.13254	1.6
411.07050	4.6
485.31381	1.7
557.13092	1.6
589.15851	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	589.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
56.82549	0.4
57.03442	1.7
59.01381	4.5
60.99297	2.8
61.98823	1.8
65.03964	0.6
67.01888	10.2
69.03445	2.6
71.01380	5.1
71.54724	0.7
72.99304	0.9
73.02946	1.7
77.03959	0.4
81.03444	2.2
82.01075	0.5
83.01376	0.8
83.05025	1.7
85.02944	17.3
87.00871	9.5
88.98810	0.4
89.02450	1.7
89.03954	0.7
93.03455	64.9
94.03819	0.8
95.01451	0.5
95.05020	1.4
96.96033	0.8
96.96998	0.6
99.00880	0.8
99.04527	0.8
101.02431	1.1
105.03449	4.2
107.05064	0.8
108.02180	0.8
109.02946	4.8
111.00852	1.9
111.04519	8.9
113.02469	0.8
114.05586	1.2
119.05015	0.7
121.02943	1.9
123.04472	2.0
124.01657	0.7
125.02434	1.2
127.04023	2.6
129.01962	4.0
132.02176	1.9
133.02953	26.9
134.03770	2.9
135.04518	23.5
136.04880	0.5
137.02444	5.0
139.04005	0.8
143.03484	0.5
145.02954	0.6
149.02419	1.4
149.04558	3.4
150.03214	1.2
151.04002	2.8
155.03510	3.6
159.04475	0.6
160.01659	5.4
161.02458	2.3
163.04057	0.5
164.04829	0.5
167.03488	2.0
171.03018	0.8
173.04538	77.3
174.04858	2.0
175.03973	0.7
177.01920	16.0
177.05476	1.0
178.02718	2.0
179.03493	8.7
185.81084	0.4
191.05600	100.0
192.05894	2.0
193.01445	0.5
201.05571	0.5
207.02988	11.2
208.03784	3.9
215.03590	0.7
215.05563	8.3
222.05315	11.0
222.07317	0.9
223.06096	9.2
223.08113	0.8
237.07671	8.7
251.05630	0.6
295.06076	0.9
307.08289	1.7
308.08948	2.9
310.08371	0.6
315.01321	0.5
325.10840	1.5
329.03128	1.1
330.03757	1.1
351.07214	14.8
352.07748	1.8
357.09552	0.5
366.09760	0.7
367.10287	4.2
369.09769	1.7
383.07950	2.3
397.09247	5.0
414.23190	0.5
415.10391	1.7
427.10550	0.6
440.20847	0.8
441.20789	0.6
492.09354	0.8
545.16589	0.8
557.12744	3.4
588.34320	0.8
589.15442	10.0
589.23633	0.7
590.16498	0.7
590.26141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
82.12550	0.2
142.58386	0.2
288.26105	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.156
Annotation	Acetylgaertneroside
Peak:m/z	Relative Intensity
51.20462	0.3
55.39857	0.2
57.03461	0.3
59.01378	9.5
59.76223	0.2
61.45651	0.3
61.98830	2.1
67.01907	0.7
68.99565	0.8
68.99863	0.8
69.03472	0.6
69.28796	2.1
71.01389	1.4
71.46499	0.2
73.02961	0.4
79.01900	0.4
81.03484	0.4
83.01404	0.7
84.02159	3.9
85.02961	2.6
89.02464	0.4
91.01932	0.5
93.03496	1.2
95.01379	0.6
97.02925	0.4
101.02461	0.5
105.03475	0.4
107.01408	0.7
107.05053	1.0
108.02182	1.5
109.02960	3.4
111.00912	0.5
112.98589	1.0
113.02488	0.5
115.05559	0.8
117.03497	0.3
119.05011	1.6
121.02956	3.1
123.00946	1.0
123.04567	0.6
123.08095	0.3
124.01649	1.6
125.02402	1.7
129.01981	1.0
131.05046	0.8
133.02962	0.6
133.06638	0.8
134.03763	0.5
135.04523	1.7
136.01675	1.6
137.02440	3.1
137.03403	0.4
137.99553	0.3
138.03239	1.0
139.04036	0.8
143.05072	1.1
145.03004	1.1
145.06610	0.6
146.03709	0.3
147.04459	1.4
149.02495	1.6
149.06053	0.3
150.03220	0.3
151.00374	0.3
151.04028	1.0
152.01207	0.8
153.01949	2.1
158.03831	0.3
159.04517	1.8
161.02470	0.6
161.04794	0.3
161.06117	1.4
162.03320	0.4
163.04021	1.7
164.04684	0.4
165.01917	3.1
166.02754	0.9
167.03484	1.1
171.03270	0.3
171.04553	1.2
171.10327	0.7
173.02454	0.5
173.06078	0.8
174.03201	0.7
175.04031	1.2
177.01949	1.0
177.05559	0.7
178.02731	0.3
179.03511	1.1
181.01378	0.4
187.03940	0.8
189.05525	2.0
190.02751	0.4
191.03529	1.1
191.05579	0.6
192.04335	0.9
199.09734	0.3
201.05707	0.3
202.02654	0.3
203.03716	0.3
204.04211	0.4
207.02994	0.9
209.11852	0.3
210.06818	0.3
217.05020	1.1
219.06593	1.9
220.03746	1.9
235.06113	0.8
245.65843	0.3
251.07152	0.5
252.01746	0.3
269.08221	0.3
281.08313	0.5
283.09802	1.2
297.17847	0.3
309.07672	1.0
311.09119	0.3
327.08746	0.9
332.06543	0.3
337.06808	0.4
339.08813	0.6
349.07025	0.3
355.08221	2.3
356.08743	0.6
357.09729	2.7
358.10272	0.4
367.08194	1.0
370.06793	1.5
383.07785	0.4
384.08551	0.9
385.09259	100.0
386.09549	5.9
397.08826	0.3
427.10300	0.5
485.31024	0.7
547.14856	0.5
557.13086	0.5
589.15540	20.3
590.15796	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	588.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31092	0.3
50.31304	0.3
50.90031	0.3
57.20906	0.3
57.31239	0.3
58.02971	3.2
59.01374	0.9
61.98841	0.6
67.01891	0.3
69.62669	0.3
70.02968	1.1
70.16264	1.0
71.01376	0.7
72.00895	0.9
73.21279	0.3
81.03488	0.3
83.05056	0.3
85.02950	4.9
87.00860	1.7
88.74098	0.3
91.05526	1.0
93.03453	3.3
96.77499	0.3
103.05527	0.5
109.02911	0.5
111.04510	0.8
119.05006	0.6
120.01206	0.3
127.04005	1.4
145.02954	1.0
147.04524	6.1
152.05811	0.3
154.20035	0.3
163.04048	1.4
164.07158	16.9
165.07520	0.7
171.02972	0.3
173.04509	2.9
191.05602	100.0
192.05908	2.4
206.08211	23.9
207.08551	1.0
324.46878	0.3
337.09268	26.1
338.09528	1.8
338.82474	0.3
449.14554	0.7
467.15845	0.6
570.16901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20292	0.4
59.01376	9.6
60.01714	1.0
61.01801	0.7
61.98827	100.0
62.76238	0.5
71.43418	0.7
82.91888	0.4
92.39970	0.4
104.03562	0.4
125.11985	0.4
212.29991	0.4
279.07422	0.4
307.43069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91331	0.2
61.98828	100.0
78.53120	0.2
86.35269	0.2
111.96801	0.2
119.47712	0.1
131.85420	0.2
160.84300	0.2
162.83907	2.5
186.12845	0.1
229.36945	0.2
236.85144	0.2
249.57571	0.2
349.33002	0.2
471.78391	0.2
505.17554	0.2
549.03461	0.2
554.35443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	38.2
61.98826	6.1
71.01362	1.0
71.53798	0.8
79.88371	0.6
80.59089	0.6
82.12473	0.6
84.02154	0.6
93.03473	0.9
95.01419	0.7
101.02431	0.7
108.02161	1.4
109.02914	1.1
113.02402	0.9
113.85364	0.8
115.92092	0.9
116.92855	2.1
117.92881	1.8
118.92654	0.8
121.02979	3.5
123.00883	2.8
123.04528	1.8
133.02818	0.7
136.01654	38.2
137.02388	1.1
138.03191	1.0
151.04005	63.2
152.04318	2.0
161.02473	1.6
162.03256	3.1
163.03949	1.6
165.12778	0.7
171.10262	3.4
172.62512	0.7
174.03175	0.8
175.03979	1.8
175.07693	0.9
176.04695	1.0
177.05551	4.8
179.03487	1.3
186.12309	0.6
187.03996	0.8
189.05577	1.1
190.06445	0.8
191.05588	1.4
193.05017	2.9
194.98534	0.7
197.11821	2.6
201.11179	0.9
209.11694	0.8
241.05496	0.7
253.09354	1.0
291.19650	6.7
311.09119	1.3
311.12741	0.8
327.12256	1.1
342.11020	9.0
342.14795	0.8
356.12643	1.2
357.13416	100.0
358.13800	6.6
425.19641	3.4
527.26404	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	588.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
58.02973	20.4
59.01380	3.1
60.99287	0.6
61.98833	0.6
62.13824	0.5
67.01891	4.2
69.03448	0.7
69.57130	3.7
71.01376	2.8
78.64088	0.5
81.03446	0.9
83.05023	0.8
85.02948	1.3
87.00890	1.3
93.03458	24.4
98.19881	0.5
109.02986	0.6
111.00836	0.6
111.04536	4.7
113.02428	1.1
119.05015	11.6
120.01264	0.9
127.34567	0.5
137.02420	4.6
144.17595	0.5
145.80305	0.6
149.04608	0.6
155.03525	3.5
163.03999	15.4
164.07141	12.3
173.04538	100.0
174.04884	2.6
177.28000	0.6
180.25879	0.6
181.81204	0.6
191.05612	6.8
206.08212	40.2
207.08513	1.6
229.38075	0.6
232.16634	0.6
337.09274	32.8
338.09680	1.2
449.14658	0.8
467.15631	1.3
588.16479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.98829	100.0
71.54594	0.3
116.50993	0.2
120.15503	0.2
143.42215	0.2
374.71475	0.2
504.53271	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.6
61.98828	100.0
69.51064	0.2
70.48332	0.4
70.48665	0.3
71.01378	1.1
73.02956	0.5
80.67767	0.2
81.03431	0.2
84.23669	0.2
85.02950	0.9
88.98827	0.2
89.02461	0.6
93.03445	0.3
96.96011	0.2
101.02448	0.7
113.02464	0.5
119.05069	0.3
134.03758	0.7
137.02446	0.4
161.04596	0.2
163.04016	0.2
163.18706	0.2
173.04550	0.4
175.04111	0.2
178.69838	0.2
185.06310	0.2
191.05576	1.3
193.05109	0.5
194.05360	0.2
204.04237	0.2
219.06641	0.2
251.13008	0.2
275.09216	0.3
409.11301	0.2
410.11868	0.8
451.16501	0.2
455.13470	0.2
483.29556	0.4
549.16193	1.0
550.16656	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	586.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41248	0.1
59.01378	1.4
60.26977	0.2
61.98831	100.0
67.54650	0.2
71.01392	0.5
71.55013	0.2
73.02959	0.4
83.01391	0.2
85.02941	0.4
87.00861	0.1
89.02449	0.3
93.03472	0.3
101.02448	0.4
113.02414	0.2
119.03719	0.1
119.05022	0.2
121.02914	0.1
121.06659	0.3
125.02499	0.2
131.55014	0.2
137.02533	0.3
149.04523	0.1
149.06169	0.2
151.03929	0.2
151.61804	0.2
153.01956	0.2
164.19971	0.2
173.04558	0.3
179.03493	0.2
191.05598	1.1
199.73386	0.1
209.12030	0.2
211.29224	0.2
343.37296	0.2
523.21777	1.3
586.24951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50628	0.3
59.01377	0.6
61.98829	100.0
71.54500	0.5
88.09165	0.3
120.29382	0.3
128.07185	0.5
132.31363	0.4
138.74677	0.3
158.03212	0.4
191.05603	0.6
254.66077	0.3
291.19464	0.4
315.80786	0.4
523.23193	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	586.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29087	0.7
55.90330	0.8
58.02967	1.9
59.01373	2.8
61.98824	3.2
69.51429	5.3
71.01379	1.2
73.04066	5.6
75.58130	0.8
81.49298	0.9
84.04542	3.8
85.02945	1.1
87.05621	7.3
93.03465	1.5
97.04057	1.9
98.02474	2.2
98.04935	0.8
99.05690	0.9
102.05609	25.8
104.50311	0.8
109.83725	0.8
110.02461	1.1
111.00905	0.9
115.05121	13.2
125.07218	1.4
126.06731	11.0
128.03542	80.0
129.10320	3.1
130.07762	1.4
130.08734	19.8
134.77737	0.7
139.08713	0.9
140.07185	5.5
144.07794	6.8
146.04596	24.8
155.08250	1.1
155.11882	3.6
168.07779	15.2
168.09076	0.8
169.06242	1.1
171.15039	5.4
182.12970	1.6
183.11339	1.4
186.08850	12.5
191.05594	6.0
195.14783	1.0
197.13013	0.9
199.18141	2.4
207.14987	1.3
208.13345	1.5
212.14049	1.3
215.14017	3.0
225.15944	2.0
235.65578	0.9
241.11908	1.6
243.17110	1.4
252.20853	1.2
270.21814	3.7
284.23404	1.4
314.21048	1.8
327.24094	1.4
328.22568	1.6
399.26062	3.5
413.24042	24.4
413.29498	1.6
414.24127	2.2
443.25610	1.2
457.26736	10.4
498.29633	1.8
542.28314	52.8
543.28632	3.8
568.29974	1.4
586.30908	100.0
587.31146	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	585.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
61.98830	7.4
63.48549	0.3
65.24226	0.3
67.82080	0.3
68.60174	0.3
70.59940	0.8
93.03465	1.0
109.01634	0.3
119.05025	100.0
120.05356	2.4
121.95076	0.3
129.25412	0.3
148.52200	0.3
163.04010	76.9
164.04393	1.9
475.62711	0.3
553.18176	0.3
585.30591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	10.9
57.17173	1.7
59.01377	26.1
61.98828	10.7
69.00188	1.3
71.53087	1.9
72.04551	5.0
87.17933	1.9
97.01141	1.5
98.06124	2.1
107.08675	2.6
112.07699	2.6
114.04961	1.7
114.05624	17.7
115.01080	1.8
125.09735	2.4
125.54697	1.4
130.08739	7.1
142.08769	1.7
147.11763	10.8
156.10277	10.7
160.84213	12.6
166.23660	1.7
235.76898	1.7
262.18219	3.7
295.24295	5.6
352.26279	2.3
358.27380	2.6
394.27225	3.1
410.30646	22.8
467.32831	4.2
525.37000	100.0
526.37134	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	586.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22074	1.1
58.02971	47.3
59.01380	4.9
61.98842	2.1
68.99766	1.0
70.02960	1.3
70.29221	3.8
78.27320	1.0
83.04979	1.0
85.02938	2.1
91.05515	1.4
93.03447	6.1
96.96021	2.6
111.04523	1.6
133.02956	2.9
134.03786	1.6
135.03494	2.1
135.04515	40.4
137.02422	2.0
147.04552	5.1
149.86182	1.0
161.02454	9.0
164.07159	37.2
165.07405	1.4
173.04576	2.5
179.03491	32.6
180.03850	2.0
191.05643	7.1
206.08214	100.0
207.08521	5.2
220.59731	1.0
250.07149	2.8
335.07703	35.5
335.11719	1.9
336.08209	1.6
415.62466	1.1
587.13080	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.7
59.01380	100.0
59.38808	0.3
60.01702	0.7
61.98825	2.2
68.45193	0.3
71.52909	0.7
95.43617	0.3
97.40323	0.4
98.02483	0.4
114.05637	1.4
116.60281	0.4
116.92876	0.4
130.07889	0.3
130.08765	1.5
145.01711	0.4
147.11778	1.7
153.68759	0.3
156.10300	1.3
163.73991	0.3
190.64426	0.4
262.18185	1.4
295.24506	0.5
325.33145	0.3
410.30554	3.0
518.60120	0.4
523.27557	0.4
525.36926	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	583.349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52991	0.7
52.74642	0.7
59.01380	100.0
59.20061	0.7
71.01379	0.8
71.54775	1.0
101.06084	37.5
107.47270	0.8
151.44189	0.7
151.86649	0.7
186.18147	0.7
210.34306	0.7
277.21799	3.2
291.23184	4.4
497.75357	0.7
514.30194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
60.23502	0.2
61.98829	100.0
69.38522	0.8
69.38927	0.5
71.01370	0.4
85.02960	0.3
89.02449	0.2
89.11243	0.2
96.96016	0.4
99.66259	0.2
126.04099	0.2
132.18460	0.2
191.05597	0.7
370.55862	0.2
391.54306	0.2
452.71393	0.2
585.22198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60461	1.2
50.92785	1.3
59.01384	3.2
61.67373	1.2
61.98830	100.0
69.87514	6.7
71.29059	1.2
87.03388	1.5
135.72632	1.3
148.05310	3.5
156.01581	1.4
157.30612	1.2
163.07649	3.1
212.89758	1.5
319.94641	1.5
329.83682	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	585.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	11.1
61.98829	100.0
65.97859	1.0
71.01384	3.3
72.08959	1.0
79.66531	1.1
85.02942	3.6
89.02439	3.7
101.02463	2.5
112.11556	0.9
113.02450	2.4
119.04971	1.2
121.03014	1.1
124.01670	1.9
131.14032	0.9
135.04492	1.2
139.04041	1.3
151.03929	1.2
191.05598	2.5
193.62433	0.9
204.04259	1.5
246.51826	1.1
249.11258	1.2
304.40543	1.0
337.10556	1.9
387.10992	6.0
549.16315	2.9
585.17664	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
56.68216	0.9
57.03445	3.1
59.01383	29.1
61.98832	74.5
69.03463	1.3
70.95594	2.2
71.01380	12.8
72.99310	1.0
73.02935	5.9
75.32971	0.8
83.01388	2.7
85.02956	12.7
87.00892	1.5
88.98799	1.9
89.02444	3.2
93.03465	1.8
95.01414	1.0
95.05051	1.1
96.96027	1.6
97.02948	1.3
99.00864	2.9
101.02444	8.2
107.33981	0.9
108.02207	1.2
109.02956	2.3
111.00854	1.5
113.02438	3.8
119.05044	2.6
120.99657	1.9
121.02979	1.2
121.06661	1.0
123.04508	2.4
124.01678	1.3
125.02423	2.6
129.01923	2.5
134.03743	4.3
135.04507	1.6
137.02414	3.4
139.04060	1.1
145.02910	1.0
147.04500	1.9
148.05305	8.5
149.02466	1.0
151.03981	1.2
153.01894	1.0
155.10751	1.9
160.05287	2.1
161.05887	1.0
163.04012	1.2
167.03474	3.6
173.04646	0.8
175.03944	1.5
180.04292	4.8
183.10242	1.2
191.01964	1.2
191.05551	2.0
193.04982	1.6
197.04567	1.5
217.96971	0.9
231.17499	1.5
251.22429	0.9
259.16858	1.3
261.18585	5.6
289.18097	42.7
290.18411	2.1
329.02963	1.1
330.03757	2.4
345.06021	4.4
362.41779	1.0
433.22302	13.2
451.23340	48.1
452.23676	4.2
463.23465	1.7
481.24133	1.2
493.24429	100.0
494.24680	9.6
523.25482	2.7
585.24939	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99759	0.2
55.77945	0.2
55.90434	0.3
56.84503	0.3
57.52237	0.2
59.01378	100.0
59.37994	0.3
60.01707	0.6
61.27090	0.3
61.98840	0.6
65.52097	0.2
69.81401	1.4
73.75158	0.2
91.07462	0.2
116.92831	0.3
123.28629	0.2
256.33902	0.3
410.92990	0.3
465.28088	0.3
532.52246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98829	2.8
65.34767	1.3
71.24102	2.7
71.50442	1.3
86.62801	1.5
102.69190	1.8
171.29935	1.7
310.32309	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	583.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
78.95898	1.7
88.00386	0.8
88.98804	2.5
91.33836	0.4
189.22748	0.4
267.23288	0.7
281.24875	2.5
282.25269	0.6
284.25879	0.5
506.32755	0.9
508.65997	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50743	0.3
59.01374	0.7
61.98830	100.0
66.81562	0.3
71.54633	0.5
78.95912	0.9
96.98968	0.3
110.45216	0.3
139.26668	0.3
152.99588	0.4
237.95737	0.3
266.22034	0.3
267.18723	0.3
267.23315	0.4
281.24802	1.3
284.26187	0.4
381.99411	0.3
506.32358	1.4
509.33594	0.5
583.33087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
61.33481	0.4
61.98824	1.9
63.53954	0.4
65.03960	1.1
71.01379	1.8
71.31898	0.8
73.02951	0.7
79.05534	0.6
81.03456	1.7
83.59996	0.4
85.02930	2.3
88.98816	0.9
91.01897	0.8
93.03451	6.0
95.01379	0.5
96.96008	1.1
101.02438	1.5
108.01536	0.5
108.02156	2.1
109.02948	13.6
113.02435	1.0
116.27740	0.4
117.03462	26.4
118.03813	0.5
119.05016	18.0
120.05379	0.4
121.02948	2.7
121.62141	0.5
122.03745	3.2
123.00871	1.0
123.04548	3.8
125.02476	0.6
129.01959	0.6
133.02864	0.7
137.02443	17.1
138.03223	31.2
139.04001	2.4
145.02950	98.4
146.03285	2.4
147.04564	0.5
149.02437	2.0
150.03206	1.3
151.03885	0.5
159.04552	0.9
161.02423	0.5
161.06099	1.6
163.04004	13.2
164.01134	0.7
165.05550	1.6
167.03459	0.7
179.03473	0.5
185.06046	0.9
185.67148	0.4
187.04018	1.4
189.05663	0.9
195.06702	0.9
201.05592	2.7
205.05014	0.9
213.05591	4.0
214.05902	0.4
216.04266	1.1
217.05133	0.5
219.06544	0.7
229.05074	1.0
230.05722	0.8
231.06606	66.1
231.41197	0.4
232.06915	3.0
247.06035	0.5
257.04532	28.7
258.04810	1.5
275.05618	14.4
276.05945	0.7
279.89566	0.4
281.30429	0.4
307.08224	23.0
308.08551	1.2
328.49219	0.4
342.64981	0.4
402.75351	0.5
431.13138	0.7
523.35205	0.6
539.15643	1.3
583.14539	100.0
584.14844	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1588
Annotation	Hexaspermone C
Peak:m/z	Relative Intensity
50.09104	9.6
59.01370	30.8
61.98811	36.7
63.24680	10.4
70.56309	31.8
78.91874	10.0
83.01392	11.7
86.49191	11.4
137.02429	22.2
137.33414	10.8
191.07285	11.6
385.12842	100.0
403.15283	10.8
412.28360	13.8
523.34680	14.3
583.15601	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34077	0.8
59.01377	100.0
61.98827	4.4
71.54330	0.9
90.94366	0.9
92.12463	0.8
97.87009	0.9
117.04385	0.9
121.57790	0.9
131.71735	1.0
136.01625	3.9
141.04018	0.8
151.03995	7.8
161.06046	1.6
189.05592	1.0
191.07167	1.4
202.02684	1.0
205.05061	1.4
219.06598	6.7
266.57813	1.0
267.66028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.69967	0.6
61.98816	0.6
71.02362	0.6
71.02689	1.1
79.11470	0.6
95.80354	0.5
138.70557	0.6
264.81723	0.7
438.33109	0.6
476.88428	0.7
480.87164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98824	1.0
71.54569	0.7
72.99357	0.6
81.23781	0.6
88.93105	0.6
143.41257	0.6
151.04013	1.2
155.05650	0.6
165.98036	0.6
176.55443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	14.3
57.03442	2.0
58.02981	4.7
59.01381	1.8
69.98614	0.7
71.01388	2.1
71.54740	1.3
75.00879	3.8
75.24649	0.8
75.34391	0.7
78.30154	0.7
78.40128	0.7
83.01390	1.2
85.02959	7.8
89.02452	1.2
96.95983	0.7
101.02449	1.8
106.98301	0.8
108.26005	0.7
111.00902	0.9
117.01923	0.7
123.08151	1.3
125.06090	15.4
129.01956	23.0
131.02124	0.8
137.02411	0.8
147.03006	18.0
164.07178	3.0
167.03474	1.6
183.10272	100.0
184.10580	2.7
206.08223	8.8
206.75821	0.7
331.13998	99.0
332.14389	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	582.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.9
61.98826	1.9
65.99525	0.8
69.20834	0.7
71.46037	1.4
78.95905	18.9
80.96512	1.3
83.33270	0.7
88.19574	0.7
96.96035	0.9
101.02472	0.8
103.63338	0.7
109.47895	0.7
152.99561	3.4
159.69420	0.8
165.57910	0.8
168.04280	3.4
224.06914	9.4
242.07840	1.2
246.13301	0.7
251.20277	1.0
255.19037	0.7
283.26413	100.0
284.26855	4.7
348.02097	0.8
508.34067	81.9
509.34305	6.8
512.89630	0.9
582.30334	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	582.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33878	0.2
55.40653	0.2
59.01373	0.9
61.98828	100.0
69.29408	0.2
69.29701	1.7
71.01391	0.7
79.58846	0.2
84.04269	0.2
84.18088	0.2
85.02989	0.3
93.03480	0.2
98.19846	0.3
101.02475	0.2
110.86868	0.2
113.02472	0.3
114.05618	0.7
131.08383	0.2
133.01451	0.7
143.66830	0.2
149.04625	0.2
191.05664	0.5
192.05745	0.2
467.16922	1.8
483.41928	0.3
582.23578	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26339	0.4
52.91531	0.5
56.57838	0.4
59.01382	4.0
61.70266	0.4
61.98829	100.0
63.49027	0.4
63.99247	0.6
66.03485	0.5
66.13021	0.4
71.01382	1.6
71.55187	0.6
73.02964	0.6
83.01415	0.5
85.02941	0.6
89.02449	1.1
90.61832	0.4
92.68400	0.4
92.82286	0.4
93.03476	1.4
96.95982	0.4
97.06603	0.4
113.02433	0.9
114.05608	10.1
119.05006	0.5
121.02959	0.9
121.06619	1.0
131.04996	0.6
131.53464	0.4
133.01422	0.6
136.01685	0.7
148.04080	0.8
149.06114	0.9
151.03969	2.4
152.04402	0.9
159.04568	0.5
161.02432	0.6
161.06035	0.7
165.05580	1.3
166.05095	0.5
166.98238	0.4
173.04562	0.9
177.05602	1.5
178.05023	0.5
187.04227	0.5
189.05605	0.9
191.05565	2.1
192.05931	0.5
195.06602	1.1
199.05603	0.5
203.07137	0.6
207.55292	0.4
229.08661	0.6
241.09918	0.6
259.02527	0.6
271.10938	0.9
285.07724	2.6
300.10040	1.8
301.10980	0.5
318.50558	0.5
331.11966	1.8
358.13950	1.2
359.14197	1.0
360.14401	0.8
410.65714	0.5
415.23175	0.9
423.18607	0.5
424.15417	0.8
438.12967	0.7
439.17795	2.0
464.14786	0.6
467.17081	26.4
468.17743	2.0
508.13965	1.7
521.33423	1.1
522.34088	1.7
538.24609	1.1
547.28339	0.5
550.15167	0.8
582.23578	8.5
583.24329	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.1
59.73769	0.2
60.01722	0.3
61.01815	0.3
61.98830	100.0
71.01393	0.2
80.03396	0.2
85.02959	0.3
93.03463	0.2
98.20753	0.4
103.77180	0.2
113.02470	0.2
116.92877	0.9
117.92921	0.3
128.90247	0.3
149.04587	0.2
149.81001	0.2
191.05606	0.4
259.36459	0.2
283.29169	0.3
311.51959	0.2
313.10376	0.2
327.12708	0.2
328.12775	0.5
330.13373	0.5
340.12753	0.8
341.12988	0.4
342.13425	0.3
397.80984	0.2
415.23535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32426	0.1
59.01380	0.3
61.98829	100.0
70.76523	0.3
70.76865	0.2
78.95922	0.5
99.42548	0.1
133.09355	0.2
152.99631	0.4
190.51456	0.1
202.00403	0.1
214.48668	0.2
279.23264	1.5
280.23770	0.4
281.23959	0.2
282.24341	0.2
504.30853	1.3
505.31448	0.2
507.32166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.18468	0.6
61.98818	1.2
69.20517	6.5
78.22660	0.6
79.03265	0.6
98.19841	1.3
107.56711	0.7
170.41467	0.6
205.43929	0.6
277.21741	4.1
279.23453	2.6
291.23712	0.6
329.76315	0.7
391.19110	0.7
411.54843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99712	0.1
59.01369	0.3
61.98828	100.0
69.24534	0.2
69.24940	0.6
76.76535	0.1
78.95905	0.4
88.01230	0.1
93.32625	0.1
101.86749	0.1
108.21513	0.1
125.41103	0.1
152.99525	0.4
197.05936	0.1
279.23260	2.4
280.23593	1.3
281.23862	0.5
282.24216	0.4
504.30786	1.1
504.36459	0.1
505.31226	0.1
506.31903	0.2
507.32010	0.7
513.87036	0.1
581.32935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68299	0.7
55.01888	1.8
56.27563	0.8
57.03438	2.2
58.00594	3.6
58.59491	0.7
59.01381	100.0
60.01713	0.8
61.98830	1.8
69.29184	7.2
71.01383	67.3
72.01758	0.7
72.99313	3.9
73.02930	2.1
83.01386	2.5
84.02163	0.8
85.02956	18.7
87.00869	4.0
88.98819	5.2
89.02447	89.1
90.45632	1.0
95.01397	4.1
96.96014	2.8
101.02445	39.0
108.02182	1.6
109.02979	1.4
111.00947	0.9
113.02452	27.8
116.92808	0.7
119.03508	40.0
123.00899	0.9
123.04538	1.4
125.02450	1.3
129.01941	2.0
131.03484	3.9
134.03825	0.8
135.04475	1.5
135.81145	0.8
137.02458	2.8
138.03244	1.7
143.03526	8.1
147.02943	0.8
149.02499	0.9
149.04520	3.4
151.03990	3.5
152.01175	1.3
152.04803	1.1
153.01921	0.8
153.05589	1.1
158.03723	1.0
159.04544	1.8
161.04575	6.1
163.04103	1.0
165.05563	1.1
167.03494	3.1
175.04001	8.9
176.04863	0.8
176.50111	0.7
177.05556	2.8
179.03825	1.0
179.05618	19.6
179.07123	1.1
180.04378	1.0
181.04848	1.0
187.04031	7.0
188.04768	2.4
189.05562	1.8
190.02655	1.0
190.06331	3.3
191.02005	1.3
191.07112	2.3
193.05034	1.1
194.05821	1.2
197.04517	0.8
202.06371	3.3
203.07068	2.9
205.05087	6.2
205.08752	1.9
208.07245	1.0
217.08629	1.9
218.05856	1.0
219.06589	2.6
219.10124	0.9
220.07379	6.9
233.08260	0.9
235.09711	5.7
247.10030	0.9
259.58026	0.8
286.85675	0.9
313.10645	1.7
325.10962	1.6
341.10370	6.9
355.12021	1.6
356.12589	3.6
371.11023	1.4
371.14996	2.7
386.13718	1.5
389.16110	4.7
391.21396	0.8
401.16040	55.8
402.16312	3.1
405.17661	1.1
495.15399	1.9
507.42249	0.9
525.48669	0.9
533.16614	1.0
581.14008	0.7
581.22693	10.6
582.22632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.6
58.00597	4.5
59.01381	100.0
61.98825	2.3
68.61229	0.8
69.67678	2.5
69.68087	1.5
71.01383	64.2
72.01694	0.8
72.99314	5.5
73.02934	2.8
83.01374	3.6
85.02954	20.5
86.69931	0.8
87.00869	5.0
88.98822	6.4
89.02448	81.2
95.01409	4.2
96.96023	6.1
101.02446	35.6
106.75352	0.7
108.02163	1.4
109.02969	0.8
111.00880	2.5
113.02452	26.1
116.92861	1.0
119.03506	39.2
123.00858	1.0
123.04565	1.0
125.02454	2.7
125.58025	0.7
125.69098	0.8
129.01949	2.9
131.03490	3.2
131.04988	1.0
134.03714	1.4
135.04550	0.9
136.18759	0.8
137.02444	2.3
138.03209	2.1
143.03516	7.0
147.03004	1.2
149.02419	1.3
149.04515	3.8
151.03992	3.2
152.01147	1.2
153.01912	0.9
153.05568	2.3
159.04539	0.8
161.02419	1.2
161.04550	7.7
163.03955	1.0
166.06369	0.8
167.03488	2.6
171.04492	1.3
173.00874	1.0
173.17316	1.1
174.03198	1.0
175.04042	7.1
176.04716	1.1
177.05525	2.6
179.03961	1.2
179.05603	15.8
179.07149	0.7
180.04230	1.0
183.10294	1.5
187.03999	5.5
188.04785	2.3
189.05521	2.5
190.06358	3.3
191.01900	1.9
191.07111	1.4
193.05067	2.8
202.06322	2.3
203.07158	1.6
205.05061	7.2
205.08638	1.7
217.08646	2.0
219.06581	2.5
220.07423	5.9
233.08078	1.4
235.09782	4.2
309.07709	1.6
341.06143	1.1
341.10181	5.9
356.12436	3.7
367.10663	0.9
371.15033	2.6
389.16055	3.2
401.16058	49.3
402.16345	3.3
495.15646	5.3
537.16589	1.9
581.23059	10.2
602.16034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.224
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
50.77966	0.6
54.36942	0.5
55.01876	1.4
57.03435	2.3
58.00591	1.2
59.01382	29.2
70.09635	0.5
71.01385	18.2
72.99302	1.7
73.02946	3.1
73.27166	0.5
73.32578	0.5
75.00877	1.0
83.01386	4.2
85.02955	10.6
86.00098	1.1
86.12322	0.5
87.00873	2.1
89.02445	10.6
95.01389	2.2
99.00880	2.4
101.02450	12.5
109.02946	1.8
111.00901	1.1
113.02454	6.2
115.04026	1.7
119.03500	6.3
121.02943	1.4
123.00877	7.2
123.04504	0.5
124.01673	1.7
125.02460	3.8
129.01927	2.3
133.02951	0.8
137.02492	1.3
138.03223	15.0
139.04019	2.7
143.03482	2.1
147.02960	0.6
149.02426	1.6
150.03221	1.9
151.04007	0.7
151.70618	0.6
153.01936	2.6
153.05579	11.5
159.04524	1.0
161.02458	1.3
161.04486	1.2
165.01920	2.9
165.05559	2.9
167.03506	1.6
174.03188	0.6
175.03957	0.7
177.01872	0.7
179.05612	0.8
183.02979	2.5
186.03142	0.8
187.03954	2.8
188.04759	1.2
189.05540	1.8
190.02730	1.5
191.01947	1.4
193.05112	0.9
195.02962	3.0
195.06628	0.8
202.06332	3.5
203.07088	3.4
205.05087	2.5
206.05893	1.4
207.06725	0.8
208.03807	0.6
213.04024	1.1
217.04984	0.7
217.08809	0.5
219.02937	0.6
219.06760	0.7
221.08182	1.9
223.06107	2.2
233.08199	9.2
250.08182	0.6
279.29218	0.6
293.04639	0.6
298.05051	1.2
300.06516	0.6
301.07257	0.9
309.07782	1.2
311.05499	0.8
313.07251	1.8
325.07138	1.3
327.08871	1.9
328.09470	0.8
329.10211	0.9
340.09521	1.5
341.10254	2.4
343.08301	0.8
343.11990	1.0
344.08969	1.8
355.11801	4.6
356.08987	1.3
358.10602	5.0
359.11292	8.0
359.15060	0.8
367.10269	1.8
371.11447	5.3
373.12912	12.9
386.13544	2.6
389.12054	2.9
389.16617	1.2
401.15967	4.2
404.14740	6.1
405.15640	3.2
419.17157	25.9
420.17523	1.2
431.11771	0.8
471.06442	0.5
521.13556	0.6
521.20239	3.3
563.13867	1.7
566.20056	4.3
581.22412	100.0
582.22760	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	581.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10837	1.0
53.24415	1.0
55.01895	1.1
55.57369	1.1
56.98460	1.0
57.03434	2.7
57.22615	1.0
59.01380	27.7
61.98818	1.0
71.01382	18.4
72.99311	1.1
73.02950	2.5
74.02443	1.2
83.01406	5.5
85.02955	16.0
87.00866	3.3
87.21371	1.0
89.02456	9.8
93.78253	1.2
95.01379	2.0
97.02985	1.1
99.00871	2.3
101.02435	12.9
109.02968	1.9
111.00842	1.3
113.02484	5.9
115.04005	2.2
119.03474	5.8
121.02991	1.9
123.00897	8.9
123.04498	1.8
124.01700	2.0
125.02444	5.6
125.80737	0.9
129.01892	2.7
133.02959	3.9
134.63916	1.1
137.02422	3.3
138.03217	12.8
139.04022	2.4
143.03505	1.8
149.02414	2.3
150.03194	3.3
151.00381	1.6
153.01912	2.5
153.05554	11.5
161.02464	13.9
165.01932	4.0
165.05539	3.3
167.03516	3.6
175.03940	1.6
177.01845	2.5
183.03030	5.6
187.04016	2.7
188.04826	1.8
190.02734	3.9
195.02962	4.4
197.04735	1.1
201.05682	1.1
202.06372	3.2
203.07140	3.1
205.05168	2.2
213.04042	2.2
219.03009	1.1
221.08121	1.3
223.06104	2.3
233.08197	8.3
245.09285	1.3
246.09575	1.3
247.09816	1.8
313.07178	2.1
325.07434	1.2
327.08698	1.2
340.09583	1.8
341.10483	1.5
344.08868	1.8
355.11957	3.8
358.10706	4.5
359.11429	7.7
359.15149	1.8
360.12140	1.2
367.10339	3.0
371.11246	6.6
373.12970	11.5
384.18903	1.1
386.13898	1.8
389.12265	3.5
389.16373	2.7
401.16147	3.7
404.14786	8.2
405.15390	3.8
419.17178	26.2
420.17487	1.6
521.19983	6.0
563.14087	3.0
566.20074	3.9
581.22412	100.0
582.22870	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	581.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
57.03450	14.9
59.01382	7.7
61.98831	14.7
65.39866	0.6
68.99847	0.7
69.03458	2.6
69.57280	3.6
71.01376	5.6
71.05022	0.7
72.99321	1.0
73.02947	2.5
75.00871	1.0
76.32715	0.6
83.01390	5.8
84.02171	1.5
85.02953	100.0
86.03298	1.0
87.00890	1.6
88.98824	1.1
89.02467	2.8
93.03484	0.7
96.96017	2.2
97.06636	0.8
99.00913	0.6
101.02451	2.3
103.00337	0.9
108.02203	1.0
109.02962	1.7
111.00887	13.9
113.02466	1.3
116.92877	2.2
119.03480	1.6
119.05050	0.7
120.99598	0.6
121.02976	2.9
122.03757	0.7
123.04504	1.2
125.02437	1.0
129.01952	39.7
129.42419	0.6
130.02264	1.5
133.02954	0.8
134.03752	2.1
135.04524	2.0
135.08061	0.7
137.02408	1.9
139.11284	2.6
147.03008	5.7
147.04504	1.2
149.02444	8.5
149.06125	0.7
150.03226	2.0
151.00369	1.3
152.01149	1.9
153.01920	0.9
155.10863	0.7
160.01694	1.3
161.02454	2.0
161.04486	0.8
163.03961	1.1
164.04823	7.8
165.01926	2.4
165.05502	0.8
167.03526	3.3
170.45480	0.6
173.00912	14.4
173.04585	0.8
173.09740	0.7
174.03246	0.6
175.00381	1.5
175.03984	2.5
177.01958	0.7
179.03548	1.0
179.05609	0.8
179.07162	1.6
180.04254	1.3
181.05104	0.8
183.10274	16.2
184.10518	0.6
190.02702	4.3
191.00516	0.7
191.01915	3.7
193.01498	0.8
193.05103	1.8
195.06657	2.8
197.04623	1.8
197.15477	2.8
199.11327	0.9
205.05060	6.3
208.03777	2.8
215.03566	1.5
221.08247	0.8
223.06107	13.6
225.07695	1.3
235.06165	0.8
241.14462	6.1
248.06706	0.8
251.12787	2.9
291.08786	2.5
313.12924	3.1
317.17575	1.5
333.17026	1.0
353.08667	3.0
357.11945	9.7
369.13242	1.2
375.12976	2.7
377.09045	0.7
397.07834	1.3
484.18921	0.7
493.86093	0.8
509.10577	0.7
533.16724	2.1
581.22198	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	581.1822
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
59.01371	6.1
61.98831	4.4
70.60279	2.2
73.67719	0.9
78.95900	96.6
92.82220	1.1
96.96006	3.8
96.96972	5.6
98.95580	1.4
99.92574	12.9
115.92075	36.5
116.92117	1.7
116.92854	30.6
117.92881	1.5
120.96961	1.7
127.47907	1.3
150.98044	3.5
152.99588	27.1
155.95253	1.4
163.89726	1.3
164.90524	1.5
171.00633	13.1
172.95459	6.1
173.72710	1.2
178.88420	14.3
179.89217	37.9
180.90022	26.8
181.90756	2.3
183.05774	1.0
194.87898	5.0
196.89473	44.5
197.89558	1.4
204.89940	2.1
205.90819	5.9
206.91673	2.3
208.89584	1.8
213.26897	1.2
221.90231	2.0
234.91022	2.3
235.91801	11.8
236.92606	24.6
237.92944	1.2
245.04314	2.3
252.92047	3.0
253.92633	1.2
270.93179	2.7
276.95798	3.7
278.93713	3.7
292.95148	2.3
295.93918	1.4
309.95490	1.5
310.96216	10.0
353.14005	1.6
414.68561	1.3
447.24695	1.3
465.93369	1.5
473.14236	4.6
481.25586	3.0
490.14352	7.3
533.15991	4.4
545.15985	6.9
563.17279	9.6
581.18207	100.0
582.18622	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	580.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	2.0
58.02969	4.2
59.01381	4.0
61.98830	2.2
63.98002	1.4
71.01381	6.8
71.54716	2.5
72.46127	1.5
73.02966	2.2
79.37029	1.6
85.02942	13.2
85.72519	1.6
88.04042	66.0
91.05534	4.9
93.03460	3.7
96.96053	2.9
101.02434	2.1
114.01979	4.7
115.00363	15.3
125.02386	2.9
132.03032	100.0
135.04526	4.9
152.48206	1.6
164.07152	3.2
173.04517	8.7
182.72923	1.7
191.01987	2.6
191.05621	65.4
192.05864	2.4
202.08624	3.1
206.08223	16.0
228.06628	8.4
229.07375	12.7
246.14868	2.1
250.07193	99.2
251.07474	5.8
274.14496	3.4
300.12775	2.2
300.15939	3.2
322.63712	1.8
326.14032	2.7
340.12482	2.3
344.15060	5.2
349.54901	1.8
362.16019	6.1
388.14243	2.5
515.97339	1.7
580.20593	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	580.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83341	0.4
55.31502	0.4
59.01379	13.9
61.98832	5.3
63.99251	0.7
70.09647	0.8
70.10043	1.6
78.95901	5.9
80.96514	1.6
93.19868	0.4
93.87244	0.4
93.91318	0.5
94.98093	0.4
130.98137	0.4
136.81828	0.4
152.99582	1.2
168.04288	1.1
176.72572	0.5
184.62769	0.4
193.35913	0.5
224.06943	1.2
242.07849	2.1
281.24860	100.0
282.25229	5.1
286.70746	0.4
293.81271	0.4
395.89835	0.4
506.32495	36.8
507.32935	2.3
580.28595	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	580.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03542	0.4
59.01380	20.7
61.98828	1.3
69.33537	1.9
69.33956	1.3
71.01377	0.6
73.16006	0.4
78.95905	21.1
80.96519	2.4
81.47389	0.4
94.98080	0.6
122.98528	0.4
152.99609	2.7
164.98653	0.4
168.04326	2.6
170.10364	0.4
177.01207	0.4
203.53711	0.4
224.06906	8.2
225.00668	0.6
239.05113	0.4
242.07999	2.1
252.08020	0.4
281.24857	100.0
282.25201	5.5
506.32501	77.3
507.32828	6.0
531.64240	0.4
580.28601	4.3
581.27917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44308	1.2
61.98838	6.5
63.42419	1.5
69.57183	3.2
69.57600	7.7
80.88883	1.3
91.88358	1.3
146.96532	1.6
251.20174	100.0
252.20522	5.5
253.44051	1.5
274.00821	1.4
350.91489	1.5
415.31378	1.8
585.04443	1.5
594.85577	1.6
602.44684	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	580.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92811	0.6
59.01381	5.5
61.98828	20.7
65.00319	1.0
67.01880	0.7
67.62431	0.5
71.01368	3.2
71.55647	0.8
83.01363	0.8
85.02936	1.9
87.00870	2.0
89.02438	0.7
93.03453	4.9
96.96017	0.6
101.02426	1.1
104.60064	0.6
107.01370	1.2
109.02959	0.7
111.04469	1.2
113.02454	0.9
121.02926	0.7
133.02942	2.3
134.03743	1.5
135.70734	0.6
137.02414	1.0
149.02438	0.7
150.03238	0.7
151.00348	2.3
159.89108	0.5
160.71243	0.6
161.02301	0.5
167.03448	0.7
173.04544	7.0
175.03975	1.6
178.28012	0.6
191.05591	13.1
192.05968	2.3
193.89793	0.5
199.04021	1.2
211.03867	0.7
217.05122	0.9
219.44585	0.6
227.03474	1.1
231.10382	0.8
256.03702	3.1
277.94128	0.6
284.03250	60.7
285.04010	83.9
286.04382	3.8
297.03992	0.8
327.05008	1.1
402.87674	0.6
517.13489	100.0
518.13873	10.6
563.20959	4.1
579.29877	0.6
580.31293	0.9
581.21936	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	580.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94265	0.3
59.01375	2.7
60.01690	0.3
61.34692	0.3
61.98829	100.0
69.51351	1.2
69.51766	0.8
71.01384	0.5
85.02962	0.6
87.00886	0.5
93.03461	1.3
101.02455	0.3
104.21980	0.3
154.99954	0.3
158.89275	0.3
167.03453	0.4
173.04581	1.3
174.04831	0.4
191.05627	3.7
192.05949	0.6
216.01198	0.3
216.59340	0.3
284.03470	0.8
285.03937	0.5
355.12189	0.4
356.12436	0.4
357.12799	0.4
517.13599	1.0
517.87103	0.4
545.30109	1.2
563.21552	1.1
580.25439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
57.03437	1.5
58.00589	0.4
59.01377	100.0
60.01711	0.7
66.57095	0.2
69.03473	0.2
69.29483	1.8
71.01379	18.2
72.99311	0.9
73.02947	6.5
75.00868	0.4
83.01385	3.6
84.02164	0.2
85.02950	9.6
86.00100	0.7
87.00878	1.1
89.02453	2.6
95.01414	1.9
97.02946	0.9
98.04253	0.2
98.19753	0.2
99.00877	3.0
101.02440	14.5
105.33579	0.2
109.02953	0.2
111.00874	1.0
112.01688	0.9
113.02449	8.0
115.04040	0.3
119.03503	0.6
124.01669	0.3
125.02460	1.2
129.01918	0.5
143.03479	2.4
153.01854	0.3
159.02994	1.2
161.04546	4.9
165.14745	0.2
191.05594	0.3
192.96696	0.2
225.80388	0.2
357.22626	1.2
375.23856	2.6
471.26044	0.5
483.25781	0.3
489.26993	0.3
519.28064	60.7
520.28461	4.9
537.29132	26.4
538.29297	2.3
579.21454	0.4
579.30011	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	579.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24606	0.1
59.01369	0.2
61.98831	100.0
69.25194	0.2
69.25591	0.8
78.95911	0.3
135.16232	0.1
152.99611	0.5
205.35818	0.1
242.07971	0.1
277.21713	2.0
278.22165	0.6
279.22415	0.3
280.22711	0.2
502.29422	1.0
503.29645	0.1
504.30289	0.1
505.30423	0.3
579.30664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10449	0.2
59.01370	0.4
61.92441	0.2
61.98830	100.0
69.25623	1.7
78.95898	1.0
93.24663	0.2
106.20990	0.2
106.23895	0.2
152.99596	0.2
250.42946	0.2
277.21664	1.3
278.22128	0.5
279.22491	0.4
365.26868	0.2
502.29498	1.3
503.29840	0.4
505.30487	0.6
579.31085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59826	2.9
59.01387	9.6
60.99310	2.6
61.98827	16.4
63.23304	2.7
64.05305	2.8
66.55971	3.1
67.01898	15.7
69.03468	3.2
71.01399	12.4
81.03464	3.6
85.02930	7.1
86.65634	3.0
87.00867	16.2
93.03458	87.8
93.25787	2.9
109.02972	3.7
111.04508	13.2
133.02962	23.9
134.03752	25.6
135.04539	26.8
137.02449	15.7
139.04100	2.8
151.03983	3.5
155.03511	7.5
158.57635	2.7
161.02434	5.8
162.03256	6.2
173.04541	100.0
173.06033	5.4
174.04851	3.7
177.01924	12.0
178.02707	55.5
179.03453	8.5
181.25658	2.8
191.05598	43.7
195.74771	2.6
231.10223	5.6
253.09163	3.0
272.29593	3.2
275.09232	46.8
307.18982	5.3
310.85809	2.6
311.21198	2.7
351.07025	4.6
449.14453	37.3
459.62769	2.9
503.58780	2.9
526.72882	2.7
579.20380	5.0
579.25653	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	579.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.1
61.98827	7.8
63.96234	0.9
66.69678	0.4
67.13165	0.4
71.01381	7.0
71.54272	0.7
73.02943	1.6
78.95903	2.9
78.98592	5.2
79.26498	0.4
79.95739	10.4
80.96517	60.4
81.03460	0.6
85.02927	2.4
87.00864	2.6
89.02447	0.9
94.98084	13.8
96.96013	3.5
97.02949	1.9
100.79104	0.5
101.02428	3.1
101.58060	0.5
106.98094	2.7
122.97580	4.7
125.02431	2.9
127.04021	0.7
134.97594	4.4
136.99103	1.0
146.97568	0.7
148.99139	5.2
152.98605	5.8
152.99699	0.6
164.97314	0.9
164.98630	10.3
167.72800	0.5
182.99654	1.8
188.98573	0.6
206.99695	2.9
224.93867	0.4
225.00726	16.1
226.00990	1.0
243.01729	1.5
255.23332	1.3
279.23355	3.0
281.24820	9.9
299.04541	2.7
310.91486	0.5
341.11115	0.6
426.67911	0.5
481.25919	0.6
506.32507	6.0
579.28412	100.0
580.28754	10.1
602.24860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.4
59.01373	2.1
60.67236	0.5
71.01375	1.2
71.49844	0.5
71.54337	0.8
77.22499	0.6
83.01358	0.7
85.02950	6.5
87.00864	1.9
89.02428	0.8
93.03469	2.9
96.96008	3.4
105.25278	0.6
109.02952	1.9
111.04516	0.7
123.00786	0.6
123.04541	1.0
125.02448	4.7
126.02787	1.2
127.02824	0.6
127.03953	1.8
135.04518	1.3
137.02441	1.2
145.67426	0.7
150.03186	0.5
151.03999	1.0
161.02382	3.2
162.02759	0.9
167.03442	0.7
171.02940	0.7
173.04501	1.6
179.03510	1.2
179.05626	0.7
191.05609	100.0
192.05945	3.0
225.04132	0.9
237.88770	0.5
289.07159	2.5
290.07507	1.2
291.07803	1.4
297.11154	0.7
317.06119	0.6
323.19791	0.6
327.12445	0.6
353.08768	11.6
380.10110	0.6
407.07629	0.7
408.08170	1.4
409.08356	2.6
426.09528	0.6
427.09311	1.3
445.68835	0.6
452.20416	0.6
453.10858	0.7
459.09192	0.9
491.77332	0.7
530.88397	0.6
579.13416	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2083
Annotation	Acanthoside B
Peak:m/z	Relative Intensity
53.83927	0.5
57.03432	1.4
59.01376	5.3
71.01368	3.3
71.55470	1.0
73.02944	1.5
73.82789	0.5
85.02950	8.8
87.00889	0.7
89.02442	2.9
96.96011	2.0
101.02444	1.7
108.02215	0.7
109.02949	2.4
111.00845	1.0
113.02473	2.8
119.03514	0.9
119.04991	1.3
121.02943	1.1
123.00874	2.0
123.04522	1.8
125.02405	0.9
129.01938	1.8
135.04530	1.1
136.01636	0.9
137.02452	8.3
143.03406	0.5
147.02989	0.7
149.02435	1.5
150.03259	0.6
151.00374	13.9
151.04025	1.2
152.01093	1.1
152.04767	1.8
155.10789	0.9
159.04485	0.7
161.02441	0.7
161.04565	0.7
163.04018	1.0
164.04720	0.6
165.01909	1.0
166.02711	50.6
167.03497	3.4
173.00870	1.1
175.03996	1.5
177.01971	2.7
177.05495	1.0
178.02699	0.6
179.03477	1.3
179.05623	0.7
181.05063	66.5
182.05380	1.9
184.03775	0.7
190.06340	1.0
191.01941	1.1
191.03537	1.0
192.04364	1.1
193.04996	1.3
205.05148	0.9
205.08659	1.4
207.06575	1.2
274.73117	0.6
276.19656	0.6
285.03970	1.9
313.14444	1.5
331.15417	1.0
356.12610	1.3
357.13519	1.9
359.11533	1.5
371.15161	0.7
385.72348	0.6
387.10852	13.0
388.11044	0.8
402.13129	6.6
417.15536	100.0
418.15967	7.7
433.13409	2.1
447.09726	1.0
521.33997	0.6
535.22278	1.5
579.13989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42383	0.5
56.04694	0.6
57.03469	1.0
59.01381	11.7
61.98827	3.5
63.16435	0.5
66.06739	0.6
69.56255	1.5
69.56681	2.1
71.01379	6.5
73.02983	1.3
81.03522	0.6
83.01414	1.2
85.02956	3.2
87.00918	0.7
89.02453	3.9
93.03501	0.9
95.01427	0.5
96.96026	0.7
97.44691	0.5
101.02444	4.1
105.03539	0.8
105.47805	0.5
107.05136	0.9
110.47600	0.6
111.00880	0.6
113.02513	2.4
117.03725	0.5
119.03532	1.0
119.05064	1.5
123.04536	3.8
123.08241	1.2
125.09770	1.5
132.05812	16.4
133.06618	2.8
134.03809	1.0
135.04549	1.1
135.08186	0.8
137.02541	1.0
137.09727	10.0
139.00423	1.5
141.23901	0.5
143.03601	0.6
145.02977	0.6
145.06621	3.1
147.04565	0.9
149.02473	3.4
152.01193	0.7
153.01892	1.1
154.02820	1.8
159.04570	1.8
163.04095	1.2
164.04802	9.2
167.03513	3.5
175.03973	0.6
181.01472	1.8
187.11334	0.7
190.02753	0.6
191.03532	1.6
193.05186	1.0
195.02983	0.6
196.03847	1.1
203.03551	1.6
205.04910	0.7
219.03081	2.2
227.14488	1.5
234.05334	3.9
235.06012	0.7
243.17528	39.4
244.17899	1.8
249.04004	0.6
249.07672	4.8
269.15421	7.7
287.16528	100.0
288.16891	5.8
292.06314	0.6
323.05573	0.8
329.17679	1.9
369.06070	1.9
373.16611	0.7
377.57138	0.8
384.08606	1.5
399.10876	7.4
530.98853	0.6
535.22034	3.0
536.21503	0.6
549.12341	1.0
564.14777	4.2
579.16986	28.9
579.35956	1.0
580.17584	1.8
592.19556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03420	0.7
58.00568	0.5
59.01378	66.8
60.01720	0.7
61.01790	0.6
61.98838	0.8
69.03442	1.5
70.02974	1.1
70.82751	1.2
71.01379	30.5
72.99300	1.8
73.02945	40.5
74.02480	3.7
75.00854	1.1
83.01391	10.4
85.02958	5.9
87.00867	4.2
89.02440	7.4
94.86328	0.6
95.01374	2.2
96.96001	2.0
97.02940	0.9
98.02438	0.7
99.00876	0.8
101.02448	29.9
108.02193	1.3
109.02949	7.3
113.02447	13.5
115.00365	4.6
116.03453	0.7
116.05058	1.4
119.03499	3.7
121.02983	0.9
122.03724	0.8
123.04550	1.2
124.63014	0.5
125.02441	2.0
129.15154	0.6
131.03516	3.7
134.03735	1.0
135.04544	1.2
136.01657	8.8
137.02429	2.2
139.00316	1.5
143.03517	3.1
143.04984	1.8
145.02937	1.3
146.03731	9.9
147.04506	1.4
149.02419	2.2
149.04538	3.5
150.03229	7.3
151.04015	12.2
155.03481	1.6
157.01392	2.0
159.04518	2.2
160.05272	1.5
161.02441	0.9
161.04547	6.7
161.06053	3.1
162.03220	7.2
163.03976	3.2
164.04790	7.8
165.05553	7.8
171.04543	1.8
172.05286	2.3
173.04645	0.9
173.06042	2.0
174.03172	3.4
175.02502	10.1
175.03993	1.1
176.04765	0.6
177.05548	7.5
178.06253	0.6
179.05595	1.2
179.07097	9.3
181.04910	0.8
181.38573	0.6
187.03970	5.7
188.04773	3.0
189.05545	6.1
191.05591	3.2
192.04303	1.0
195.06682	3.4
200.04788	0.7
201.05424	1.1
202.06364	5.4
203.06842	0.9
203.08328	2.1
207.06482	2.6
219.06654	1.6
231.06610	0.8
233.06023	0.5
235.07510	0.7
239.16519	0.9
245.09282	8.9
251.07233	0.9
262.06366	1.0
263.07214	1.3
275.07089	1.0
277.08698	0.6
279.06561	2.1
280.08032	0.9
281.08038	1.2
283.15472	0.7
291.06641	2.4
293.08170	2.2
294.05655	0.8
294.08884	1.0
295.10028	1.3
298.22119	0.6
307.09595	0.8
308.07037	0.9
308.10532	1.8
309.07791	6.1
309.11182	1.0
318.33310	0.6
323.09213	5.2
324.10019	12.3
325.10519	1.3
327.12457	4.4
339.12357	100.0
340.12677	6.2
349.96429	0.6
355.13196	0.7
357.13339	1.3
371.12283	0.9
417.15674	0.9
429.13095	0.9
447.18564	0.9
467.14618	1.2
475.21820	0.8
485.15863	1.4
501.17584	1.6
518.26971	0.6
519.27026	2.8
537.28174	1.5
547.16016	0.7
561.19708	1.4
579.22424	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	3.7
59.01382	38.3
60.02458	0.7
61.98835	3.7
70.87989	1.5
71.01386	8.9
73.02940	2.7
74.12593	0.8
78.95922	0.9
83.01397	3.3
84.48039	0.9
85.02946	17.3
86.03326	1.0
87.00893	1.2
87.55840	0.8
89.02450	4.3
93.03471	1.9
95.01404	1.0
96.96010	7.0
96.96992	0.8
97.02948	1.0
101.02431	4.2
108.02151	1.6
109.02969	2.2
111.00890	2.7
113.02454	3.1
119.03513	1.3
119.05032	4.1
121.02948	5.4
122.03765	1.0
123.00925	2.1
123.04517	1.9
124.01659	1.8
125.02438	5.4
129.01933	6.2
134.03729	2.3
135.04529	3.9
135.66322	0.7
136.01665	40.2
137.02458	4.4
140.85480	0.8
143.03484	1.6
147.02985	1.3
147.04488	0.8
149.02501	1.0
149.06075	1.1
149.99599	2.4
151.00371	2.8
151.04008	61.5
152.01111	2.5
152.04352	1.0
153.05540	0.8
155.10780	1.5
160.01627	1.0
160.05182	1.1
161.02429	1.7
161.04591	4.1
161.05934	0.8
162.03313	0.8
163.04004	2.7
166.02747	1.5
166.99834	0.9
167.03503	3.6
168.00650	2.8
169.01424	1.4
170.93430	0.8
173.00974	2.0
175.03996	3.0
177.01996	0.9
177.05609	1.6
178.02676	0.9
179.03474	2.9
179.05641	1.2
181.04956	1.5
183.10304	1.2
189.05537	1.6
191.01978	2.4
191.05626	1.6
193.05101	2.3
197.04543	3.1
205.03540	1.2
209.04637	1.0
233.04510	1.0
235.06218	0.9
271.02798	0.8
271.06201	2.2
309.07535	1.1
331.15475	1.9
339.12164	1.9
342.11090	11.6
343.11334	0.9
357.13437	100.0
358.13757	6.4
387.11121	0.9
417.15543	4.3
433.13385	1.0
481.17456	1.2
503.12067	1.0
570.89539	0.8
579.16724	6.2
607.22180	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93182	0.4
55.31690	0.5
59.01378	100.0
60.01728	0.6
66.38161	0.6
69.32668	4.8
79.86526	0.5
81.28230	0.6
86.64785	0.6
93.30608	0.6
98.19907	1.3
121.02996	0.9
161.04713	0.6
175.03947	1.3
176.73955	0.5
184.01981	0.6
190.06429	1.0
203.49298	0.5
222.05354	0.9
253.08760	0.8
263.07092	1.3
267.06735	0.6
269.08176	1.5
272.31635	0.6
279.06750	2.2
281.08258	2.0
283.09628	0.8
291.06509	0.9
292.81519	0.7
293.08292	0.8
294.09052	1.0
296.10559	0.7
297.07663	9.0
297.10968	1.0
309.07803	13.0
309.11450	3.8
310.08282	0.9
310.11652	0.6
312.10004	9.2
323.09262	1.8
324.09995	10.2
325.10645	0.9
327.12357	44.4
328.12848	1.9
339.12344	38.5
340.12820	2.4
357.13214	0.6
395.11456	0.6
449.66370	0.6
494.47736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79439	0.6
59.01379	100.0
60.01699	1.1
63.29543	0.8
69.43246	0.7
69.56358	1.8
69.56774	3.4
70.49635	0.6
76.89598	0.7
89.56934	0.7
95.78395	0.6
111.17891	0.8
112.70561	0.7
121.02930	1.4
175.04073	1.7
190.06392	1.0
206.71739	0.7
253.08684	1.2
267.06802	1.2
269.08182	1.9
279.06726	1.7
281.08206	2.6
291.06830	1.2
294.09048	1.7
297.07678	9.0
297.11121	1.3
308.10336	0.9
309.07758	12.1
309.11337	4.1
312.10046	8.3
323.09293	1.5
324.10059	10.3
327.12366	44.2
328.12912	2.7
339.12354	41.4
340.12741	3.4
434.38626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98537	6.9
61.98832	100.0
71.46093	10.8
73.78475	4.4
74.11356	5.2
78.95903	6.6
87.29491	4.7
120.30932	5.6
154.57098	4.7
158.52280	5.4
163.11273	15.8
224.22269	5.7
233.85518	5.7
337.71753	5.3
339.23303	37.6
515.35242	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21687	0.8
55.94318	0.9
57.03443	0.9
59.01379	8.1
60.62584	1.0
61.98827	3.6
69.52208	1.7
69.52622	4.1
71.01382	3.6
73.02951	1.6
83.01417	0.8
83.14458	0.8
85.02962	5.7
89.02453	2.1
95.01406	1.1
96.96026	1.1
98.19978	1.9
101.02447	2.8
110.00099	9.6
111.00861	1.9
116.92859	0.9
118.79868	0.8
119.03509	1.0
123.04527	1.0
125.02380	0.9
127.67612	0.9
129.01987	1.0
134.03740	1.3
136.98807	1.3
137.98706	0.8
137.99608	5.6
139.00406	8.7
139.03992	1.0
149.02457	2.0
151.03999	1.5
161.02463	1.0
164.98224	1.3
165.99074	16.9
166.99847	3.4
167.03462	1.7
172.05107	0.8
173.04539	1.0
178.99913	1.2
187.03975	0.9
193.05127	1.0
193.98532	1.1
194.99124	0.8
221.31889	0.8
223.06145	1.3
243.02988	2.4
271.02426	2.9
287.01892	3.0
312.12531	2.3
315.01474	5.3
316.02240	55.4
317.02518	1.9
330.03711	1.4
331.04584	100.0
332.04935	5.3
385.29117	1.0
493.09650	1.5
535.10883	10.5
578.60596	0.8
579.20563	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	579.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79909	1.0
55.01871	1.4
57.03429	2.4
58.00587	1.2
59.01380	41.0
61.98830	10.7
68.99545	1.1
69.19028	1.9
69.19427	6.4
71.01382	20.4
72.99290	2.8
73.02917	3.6
79.05510	1.0
79.23687	0.8
81.03431	2.9
83.01360	2.5
83.04980	2.7
85.02948	11.4
87.00832	2.7
89.01938	1.1
89.02441	16.6
93.03457	1.5
94.87442	0.8
95.01364	1.8
96.36761	0.8
96.95960	1.9
98.88396	0.7
99.00830	0.9
101.02429	10.6
105.03412	3.7
107.05006	1.8
108.58500	0.8
109.02907	1.4
111.00784	1.4
112.98530	1.4
113.02446	6.5
119.03522	4.5
119.04971	3.4
121.02906	1.1
123.00896	1.0
123.04527	20.5
123.08100	1.6
125.02389	2.7
125.09702	1.3
129.01874	2.0
132.05806	15.8
133.02846	1.1
133.06500	2.7
134.03676	2.3
135.04459	3.2
137.02370	2.9
137.09729	10.5
139.00369	6.7
140.01096	1.1
141.01927	1.2
143.03485	1.5
145.02885	2.1
145.06528	2.1
147.04494	1.9
149.02448	17.5
152.01096	1.8
153.01848	2.9
154.02701	5.7
159.04393	1.9
161.04477	2.0
163.04002	5.1
164.04808	10.5
165.05475	1.3
166.02608	1.4
166.99805	1.7
167.03485	15.1
169.04961	2.4
175.04022	4.4
179.05510	2.2
181.01430	6.9
182.02011	1.1
183.10101	1.1
187.11182	1.1
189.05374	0.9
190.02621	1.6
191.03532	6.0
191.05043	1.5
193.01244	0.8
193.04965	1.9
195.02832	1.3
196.03627	3.5
202.02701	0.9
203.03528	4.3
204.00499	1.3
205.05048	1.6
205.12054	1.3
207.02823	1.3
209.04494	1.4
219.02931	8.7
220.03651	1.6
221.04504	2.1
223.06145	1.1
224.03163	2.3
227.14285	1.1
233.04395	2.8
234.03285	0.9
234.05319	15.3
235.05843	1.6
243.17526	35.2
243.20001	2.2
244.17702	2.0
246.44534	0.8
249.03827	2.0
249.07674	15.6
269.15454	6.3
287.16522	89.8
288.16913	4.2
295.05685	1.1
314.21655	0.9
323.05283	2.4
329.17334	1.6
339.08835	1.1
341.06531	1.3
351.04816	3.1
353.06503	1.5
369.06155	4.3
383.07584	1.5
384.08530	5.9
399.10815	25.5
400.10931	1.3
402.25482	0.9
403.10336	1.4
535.21796	7.9
549.12061	3.4
564.14813	11.7
579.16858	100.0
579.36084	4.9
580.17188	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	578.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21828	0.3
59.01394	0.4
61.77280	0.3
61.98830	100.0
65.60094	0.3
70.03999	1.6
78.95931	0.6
78.98581	0.5
80.96525	1.5
85.02959	0.5
87.52880	0.3
98.63379	0.3
121.52303	0.3
161.45761	0.3
166.08282	0.4
220.59019	0.3
225.00841	0.4
280.23792	0.8
281.24146	0.4
579.28674	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	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65350	0.2
59.01379	15.2
69.20746	1.3
69.21170	0.7
71.01379	0.3
78.95901	5.5
79.95728	0.4
80.96513	2.1
94.98077	0.7
96.96973	0.2
101.64762	0.2
109.47715	0.2
152.99599	1.4
164.98537	0.3
168.04323	1.4
191.75201	0.2
224.06895	0.7
225.00737	0.5
242.07982	2.6
273.40384	0.2
279.23270	100.0
280.23599	6.2
280.26688	0.3
336.69385	0.2
393.10132	0.3
433.24063	0.2
504.30960	38.9
505.31348	3.6
552.76611	0.2
578.27197	3.9
579.27112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07384	0.3
59.01379	20.1
61.98814	1.0
69.98173	0.3
70.28693	1.0
71.01391	0.7
77.51299	0.3
78.95901	19.2
78.98562	0.5
79.95725	0.9
80.62747	0.3
80.96512	5.9
88.32291	0.4
91.79763	0.4
94.98073	1.2
122.98492	0.5
125.02388	0.4
134.97560	0.4
148.99165	0.6
152.98579	0.3
152.99625	2.3
155.62454	0.3
164.98630	1.1
168.04309	2.9
183.06496	0.3
207.09964	0.3
207.88768	0.3
223.58157	0.3
224.06923	9.1
225.00665	1.5
226.01158	0.4
242.07950	2.2
279.23273	100.0
280.23642	5.1
504.30951	75.6
505.31219	5.4
578.27209	10.1
579.27087	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07552	0.8
59.01380	1.7
61.98825	1.6
69.43383	4.3
79.90278	0.7
82.20875	0.7
218.42912	0.8
277.21713	100.0
278.22104	6.3
533.32770	0.8
577.42401	61.2
578.42706	6.5
579.55377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91060	0.9
57.14594	1.0
59.01380	4.8
61.98829	75.6
67.01889	2.5
69.48467	1.9
69.48875	4.6
71.01366	3.5
73.02917	0.9
77.03979	1.3
81.03465	1.2
83.05007	1.0
85.02942	3.9
87.00858	5.2
87.37766	0.9
89.02463	1.3
93.03461	12.8
93.84971	0.9
94.03805	1.7
101.02468	0.9
101.06056	6.2
109.54001	0.8
111.04530	2.3
117.03454	7.9
121.02985	2.0
121.84566	1.0
129.01924	1.3
135.04465	2.5
137.02420	1.4
149.02423	2.2
159.04544	1.6
161.02397	2.9
163.03979	2.1
173.04518	9.8
174.04904	2.1
177.01846	1.1
187.07523	2.3
191.03732	2.0
191.05614	24.7
192.05989	4.3
201.05519	1.1
202.06215	2.5
211.07480	1.2
214.06204	2.3
215.06943	1.9
229.08714	1.8
230.08945	1.4
239.07248	1.3
253.04970	1.0
253.09142	1.3
268.03812	1.9
269.04510	2.6
281.04404	4.3
283.06082	30.7
284.06427	1.3
293.04480	2.4
295.06174	2.4
311.05585	56.3
312.05905	2.1
323.05630	6.8
341.06613	5.3
341.23251	2.2
342.23724	2.2
353.06528	1.7
371.14886	1.1
372.15320	2.6
386.17023	1.1
413.08728	28.3
414.08975	1.8
449.14325	1.1
515.15558	100.0
516.15881	7.8
526.46729	1.0
578.22931	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87607	0.3
59.01378	0.7
61.98833	14.2
63.96236	0.8
69.03471	0.5
69.03937	0.3
69.39767	2.6
71.01382	6.3
72.23230	0.4
73.02949	1.4
78.95901	0.5
78.98592	5.3
79.95736	8.7
80.96516	59.1
81.03480	0.4
83.01352	0.3
85.02941	2.9
87.00867	2.6
94.98087	13.6
96.95995	0.9
97.02964	1.4
99.00900	0.5
101.02438	2.1
106.98099	2.9
122.97585	3.2
125.02449	2.1
127.03992	0.8
134.96651	0.4
134.97586	4.3
136.99162	1.2
148.99144	6.1
152.98640	5.9
164.98621	10.8
167.00134	0.5
188.98552	0.5
206.99695	1.9
225.00725	11.8
232.72992	0.3
277.21664	1.7
299.04355	3.3
327.15808	0.3
379.28580	0.5
380.28958	0.6
563.21332	0.4
577.26843	100.0
578.27106	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
61.98829	28.2
63.96239	1.1
68.34971	0.4
69.03452	0.4
69.26018	2.9
69.26429	1.0
71.01382	5.6
72.08376	0.4
73.02946	1.8
78.98588	5.1
79.27171	0.3
79.95733	8.9
80.96516	58.3
81.03445	0.9
85.02945	2.4
87.00887	2.6
94.98084	14.1
96.96031	1.1
97.02940	1.3
98.19905	0.6
101.02448	2.6
106.98070	1.8
113.02448	0.4
122.97585	5.7
123.67803	0.4
125.02473	2.7
127.04053	0.9
134.97572	3.8
136.99127	1.1
146.97568	0.6
148.99132	5.4
152.98618	6.3
164.98625	9.5
182.99643	2.5
199.81985	0.4
206.99680	2.5
225.00732	15.6
243.01767	2.0
277.21729	1.9
279.23373	0.8
282.82483	0.5
299.04416	2.8
379.28287	1.0
380.28796	2.0
473.99512	0.4
504.31161	0.5
577.26831	100.0
578.27087	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	577.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.1
61.98829	1.2
62.96773	0.7
71.01387	2.6
71.54876	0.8
73.32829	0.7
73.36405	0.7
74.33402	0.6
89.02451	2.1
91.18947	0.7
97.02978	0.7
101.02441	2.6
103.87825	0.8
113.02417	1.3
123.01091	0.8
147.11783	1.0
148.12248	0.8
201.61940	0.9
212.21182	0.7
234.97162	0.7
235.08195	2.3
253.09302	11.4
281.24847	100.0
282.25165	5.0
291.00568	0.8
406.91776	0.9
443.54971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56927	0.2
59.01379	100.0
60.01730	0.8
61.98849	1.4
63.06536	0.3
67.01880	0.3
69.18158	2.5
71.01385	2.7
73.02303	0.3
73.02956	0.7
85.02967	1.8
87.00897	1.1
89.02554	0.3
92.51576	0.3
93.03467	2.7
95.01432	0.3
101.02448	1.2
111.04601	0.3
113.02441	1.3
121.02952	12.9
122.03764	0.6
135.04530	1.2
136.01617	0.7
137.02397	0.5
151.32639	0.3
152.01144	0.3
159.03050	0.5
159.04535	0.2
161.04581	2.7
163.04012	0.5
164.04716	0.3
165.05583	0.3
173.04567	1.8
173.05840	0.3
191.05614	5.8
215.07182	0.5
253.09441	0.3
325.10785	0.6
340.09491	27.8
341.09903	1.7
355.11856	45.9
356.12213	2.9
373.12854	0.6
403.17743	0.4
577.22760	1.2
577.31207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07330	0.4
55.01878	0.8
57.03434	1.0
58.00585	1.0
59.01381	62.0
61.98834	3.8
67.01864	0.4
69.03459	1.6
69.16389	3.9
71.01385	30.2
71.75586	0.4
72.87443	0.4
72.99324	1.8
73.02947	44.1
75.00869	1.0
81.03495	0.4
83.01386	11.6
85.02947	5.5
87.00870	2.7
89.02448	5.8
93.03460	2.6
95.01394	1.3
96.96065	0.7
97.02974	0.6
99.00890	1.0
101.02446	31.8
109.02960	1.0
113.02460	9.3
113.03249	0.5
119.03512	1.5
121.02977	1.1
125.02440	2.0
130.99062	0.5
131.03526	1.9
135.02994	1.2
135.04509	0.4
137.02432	0.7
143.03511	2.9
145.06657	0.5
149.04581	2.0
151.00438	0.9
152.01176	0.5
155.03654	0.7
155.05032	1.0
159.04494	0.8
161.04552	4.9
171.04480	2.7
172.05334	4.1
173.04550	1.7
173.06078	4.8
178.99878	0.6
187.04089	0.9
187.07481	0.6
189.05522	0.8
191.01860	0.6
191.05597	5.6
193.01390	0.6
200.04750	0.5
201.05612	0.5
206.62396	0.4
221.06569	0.6
224.74162	0.5
248.04112	0.4
263.07153	0.6
277.08615	0.7
283.13440	0.5
291.06290	0.4
293.04971	0.7
293.08191	6.2
294.08899	0.7
305.08121	1.0
307.06009	0.6
311.12946	0.5
321.07657	7.8
322.08450	15.9
323.08798	0.5
327.15857	0.5
337.10815	100.0
338.11163	5.7
371.14966	0.7
385.16125	0.6
499.15915	1.8
517.17133	1.3
517.29742	0.5
559.14862	1.5
577.15656	1.9
577.32202	1.4
586.66071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
58.12233	0.4
59.01379	100.0
60.01710	0.7
61.98828	7.1
64.92951	0.4
71.01378	2.9
73.02945	0.9
83.01352	0.5
85.02953	2.7
87.00878	1.2
89.02415	0.4
93.03473	2.8
101.02464	1.6
109.02921	0.4
113.02441	0.9
121.02954	19.0
122.03723	0.9
124.39738	0.5
128.51309	0.4
129.01938	0.5
134.09023	0.4
135.04547	1.5
137.02448	0.7
147.04575	0.5
161.04599	1.9
161.05841	0.4
163.03981	0.9
164.04868	0.4
165.05556	0.6
173.04578	2.2
175.04027	0.7
186.06818	0.4
187.07713	0.7
191.05605	10.0
214.06355	0.6
236.94356	0.4
294.70706	0.4
298.01288	0.4
322.79663	0.4
327.16037	0.5
340.09491	29.5
341.09805	1.6
355.11844	54.6
356.12158	3.6
371.14789	0.9
385.16492	0.7
403.17609	0.7
437.02792	0.4
533.29926	0.9
577.14624	0.9
577.23517	0.4
577.31641	0.6
586.14648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12550	0.6
55.01871	0.8
57.03473	1.0
57.71301	0.7
58.00598	1.2
59.01377	100.0
60.01701	0.6
60.24621	0.6
61.45908	0.6
61.98808	1.5
67.01886	5.4
69.03475	1.0
69.50713	2.5
69.51134	2.0
71.01380	23.8
72.99316	1.7
73.02945	28.6
75.00872	2.1
79.09319	0.6
80.11681	0.6
81.03473	0.8
83.01384	7.7
85.02950	5.8
87.00877	1.2
89.02436	4.6
93.03481	1.4
95.01392	2.7
97.02943	0.9
99.00868	0.9
99.04571	0.6
101.02440	19.9
102.02741	0.7
103.98634	0.6
107.01383	1.1
108.02179	4.8
109.02946	7.9
109.75650	0.6
111.00883	2.5
112.98713	0.6
113.02455	6.0
119.03503	2.1
119.04984	0.6
120.01283	0.7
121.02985	1.7
123.00864	8.1
123.04524	2.9
124.01631	1.4
125.02438	3.6
131.03502	1.4
135.03024	1.8
135.04518	0.9
136.01659	18.1
137.02452	2.1
143.03537	1.2
143.04993	1.6
144.05759	1.0
145.03062	0.8
145.06552	1.9
146.03745	1.1
147.04529	2.1
149.02382	1.7
149.04610	1.3
151.00409	2.1
151.04001	32.8
152.04453	0.8
153.01891	0.9
158.03722	2.7
159.04517	6.9
160.03926	1.3
160.05286	26.8
161.02454	1.8
161.04561	3.8
161.05962	1.4
162.03156	1.1
163.04015	0.9
164.19353	0.7
165.01924	1.6
171.04642	1.1
172.05296	2.9
173.02448	0.9
173.04634	1.6
173.06090	3.6
174.03217	4.2
175.03970	5.4
175.07646	20.5
176.08073	0.9
177.05589	2.3
178.99866	1.0
185.02438	1.7
185.10115	0.6
186.03282	3.4
187.04001	17.2
187.05617	1.2
188.04778	13.0
189.01935	0.9
189.05563	6.5
191.05640	4.2
192.00693	0.7
200.04800	0.7
201.05595	2.7
202.06241	3.4
203.07115	21.4
203.68445	0.8
205.05060	3.7
207.02924	0.7
207.06531	1.3
207.08240	0.7
217.04991	1.5
223.07658	1.4
223.77441	0.7
228.40924	0.8
235.07622	1.1
238.48450	0.7
239.07187	1.5
249.05687	1.3
250.06314	1.2
251.07159	2.6
263.07236	0.8
267.06604	5.4
278.05844	0.9
279.06589	12.1
280.06906	0.7
281.08075	0.8
282.08884	0.9
290.05890	1.2
291.06604	6.9
292.07321	2.5
293.04596	2.5
293.08197	1.7
294.05737	0.8
294.09058	2.4
295.06088	16.8
296.06610	0.8
305.08371	1.5
306.08847	7.1
307.06165	18.7
307.09683	2.1
308.06494	1.4
309.07721	2.0
310.08432	21.3
311.08893	1.4
321.07687	2.5
322.08450	13.2
325.10760	91.9
326.11050	4.6
337.10779	67.6
338.11160	2.9
343.08237	2.3
353.06854	1.1
355.08041	2.3
355.11932	9.9
358.10495	0.8
373.09146	9.1
373.13080	1.5
387.10696	1.2
397.09326	2.3
480.85233	0.7
491.28717	0.7
517.17694	5.9
535.18268	5.2
535.27356	1.0
559.14844	2.2
577.19421	81.3
578.19751	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	577.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
57.03452	5.1
59.01384	19.4
61.98825	5.3
67.01884	1.9
71.01384	11.6
71.55737	1.4
72.99294	1.6
73.02950	8.4
75.00880	7.4
78.76500	1.2
79.51651	1.0
81.03464	1.2
83.01391	2.9
85.02952	24.7
87.00875	4.6
88.00686	0.9
88.98801	1.6
89.02441	8.0
93.03444	3.6
95.01395	2.6
97.02962	1.1
99.04549	1.8
101.02428	7.6
105.03464	1.3
108.02177	36.6
109.02237	1.3
109.02962	20.7
111.00881	2.1
113.02452	5.8
117.03455	2.4
119.01400	3.4
119.03474	2.8
119.05023	13.6
121.02963	18.3
123.00851	2.1
123.04507	4.0
124.01653	1.1
125.02428	3.5
129.01952	7.5
133.02940	3.7
134.03735	3.9
135.04509	7.5
137.02454	4.5
138.03180	2.0
145.02917	1.7
146.03725	2.0
147.00859	2.9
147.02951	6.0
147.04477	5.0
149.02443	76.5
150.03088	1.7
151.03995	6.2
152.01157	36.9
153.01930	11.7
153.05600	1.3
159.04523	1.9
161.02443	19.7
161.04556	2.6
162.03178	2.4
163.04016	16.2
164.04799	67.6
165.01880	2.6
165.04019	19.5
165.05222	2.0
167.03485	10.4
169.04922	1.0
173.04553	1.4
175.00368	22.9
175.03989	1.9
176.04776	9.1
177.01854	1.4
177.05502	2.3
178.02557	1.2
178.06396	1.6
179.03500	32.2
179.05547	2.5
179.07080	13.8
189.05557	2.4
190.02718	65.3
191.01915	3.9
191.03372	3.3
191.05620	3.3
191.07141	4.9
193.01414	4.8
193.05028	5.2
194.05835	34.0
195.06590	1.8
197.04448	1.3
203.07092	1.2
203.51605	1.1
205.05060	76.4
206.05624	3.0
207.02892	1.5
207.06471	1.6
208.03760	11.7
209.08182	37.0
210.08571	2.0
221.08147	2.4
223.06113	100.0
224.06398	3.2
247.06097	2.4
249.07742	2.4
265.07208	2.8
271.02112	1.4
291.08685	3.9
299.01910	2.4
300.02649	2.2
307.08273	1.1
309.09732	14.6
315.07272	1.7
353.08801	9.7
367.10330	80.2
368.10614	4.8
371.09824	39.7
372.10083	1.6
373.13077	2.5
415.12469	2.3
517.20013	1.4
533.12689	2.9
534.13257	1.3
535.18103	1.2
559.14557	3.8
577.16614	42.6
578.17120	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	577.157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49627	0.6
55.01883	3.7
57.03452	15.1
59.01382	8.9
59.59953	0.5
60.99309	1.7
61.98842	6.5
63.02399	1.0
65.85170	0.6
67.01889	1.5
68.99815	1.2
71.01386	11.1
71.54654	0.7
71.55055	0.7
72.99321	1.7
73.02951	3.1
75.00879	2.1
81.41013	0.6
83.01387	8.6
84.02162	2.3
85.02956	100.0
86.03260	1.6
88.98814	10.7
89.02457	3.7
93.03457	0.8
96.95990	3.7
99.00878	0.7
101.02452	8.0
109.02976	1.4
111.00885	24.7
113.01695	0.6
113.02459	2.0
117.03451	1.6
117.48019	0.6
119.03515	1.0
119.99194	0.6
120.99628	0.6
121.02943	2.0
123.00896	0.8
123.04546	1.3
124.01653	0.7
125.02503	3.0
129.01950	46.1
130.02275	0.7
134.03761	1.2
135.04518	1.5
137.02426	1.5
143.03517	0.6
145.02917	0.9
147.02986	1.3
149.02435	6.1
151.00362	0.8
151.04039	1.2
153.01996	0.8
161.02487	1.6
161.04547	4.7
163.04001	1.2
164.04805	2.9
167.03493	1.9
173.00914	0.9
173.04601	0.9
175.00412	0.8
175.04001	1.0
177.04045	0.7
178.52109	0.6
179.03528	1.7
179.05663	1.4
179.07074	0.7
187.02467	2.4
190.02705	2.0
191.01999	3.8
191.05559	3.0
193.05063	1.8
205.03519	41.5
205.05112	3.5
206.03868	0.8
208.03850	0.8
209.02980	1.3
209.04596	3.0
223.04465	1.8
223.06296	6.0
225.05620	0.7
267.06754	1.3
267.12460	0.7
268.03769	1.5
268.08417	0.6
269.04559	59.2
270.04861	2.4
294.08624	0.6
338.07507	0.7
341.10092	1.3
353.09988	3.5
373.13074	2.5
383.07803	1.1
384.08286	1.3
385.08542	2.1
517.31049	0.7
577.16113	4.6
578.15387	0.9
582.89386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26654	1.1
54.53983	0.9
57.03446	1.5
58.73043	0.9
59.01385	11.9
61.98828	5.7
70.92838	1.0
71.01391	3.7
71.11748	2.3
73.02957	2.5
85.02945	5.3
87.00864	1.2
96.96017	3.3
97.24963	1.0
101.02440	2.5
101.30461	1.3
109.02934	1.5
111.00877	1.6
119.17420	0.9
120.99635	1.0
121.03020	1.0
125.02465	1.7
129.01981	1.9
130.08748	2.4
140.58530	1.0
161.02409	1.6
163.04060	1.5
167.03442	1.2
171.10362	1.4
185.02562	1.1
205.05040	1.5
213.01901	1.8
223.06174	1.3
229.01416	1.0
255.03159	1.2
257.00928	4.1
271.02420	2.2
272.03268	1.2
283.02377	1.2
285.00421	23.6
299.01993	2.5
300.02783	35.7
312.99976	6.3
313.03180	1.5
313.23764	1.1
315.05139	15.7
328.02234	10.2
329.07126	1.3
339.05130	4.2
341.23505	1.5
343.04587	71.2
344.04947	3.9
354.07532	2.2
358.06976	42.8
359.07260	2.5
369.09625	5.8
373.09286	100.0
374.09537	6.1
577.29639	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	577.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45602	0.9
57.03449	13.7
59.01365	3.7
61.98834	2.6
67.01886	1.0
69.70062	0.8
71.01381	4.0
71.55036	1.2
73.27207	0.9
75.77419	0.8
76.07546	0.7
77.72775	0.8
81.03444	2.4
81.76365	1.0
83.01385	6.1
85.02459	1.2
85.02952	17.3
89.02458	1.1
93.03449	4.4
95.05016	2.1
96.96032	1.5
97.02937	2.5
100.10252	0.9
101.02431	1.5
106.96957	0.9
108.02193	0.9
109.02953	15.8
110.03291	1.1
113.02456	1.7
121.02950	2.4
123.04532	12.1
123.55908	0.9
125.02449	100.0
126.02776	3.0
129.01942	2.9
133.02943	3.9
135.04503	3.6
137.02449	18.0
139.03998	2.7
146.03723	1.4
147.03008	2.4
149.02463	4.9
151.04015	12.2
159.04454	2.7
161.02440	24.7
161.06004	3.5
162.03181	1.0
163.00342	2.2
163.03975	3.8
164.01132	3.7
165.01974	4.2
167.03485	2.8
168.74377	0.8
173.04544	1.8
173.26569	0.9
174.03075	1.0
175.04004	8.1
177.01933	4.1
177.05470	1.1
177.78874	0.9
179.03531	4.5
185.06166	1.1
187.04002	5.3
188.04828	2.2
191.01991	7.4
191.05588	11.1
201.05450	1.7
202.06348	1.0
203.03534	2.0
203.07127	8.7
205.01460	2.3
205.05013	6.4
209.02954	3.2
211.03815	1.1
217.04973	1.3
219.02908	1.4
221.08231	1.8
227.03479	1.3
227.07176	1.1
229.04993	1.8
243.02959	2.5
245.04524	4.0
245.08168	9.7
247.06012	1.0
255.02988	5.6
256.03732	2.3
257.04538	1.7
269.04590	1.3
273.04007	3.4
281.04492	2.6
281.13589	1.0
283.02548	1.0
285.04193	2.0
287.05609	8.4
289.07172	57.1
290.07391	2.5
299.05521	5.5
329.06619	1.3
339.08789	2.9
381.09882	2.1
383.12326	1.0
407.07721	36.1
408.07916	2.9
409.09271	1.1
415.08438	1.2
425.08810	18.1
426.09473	1.1
439.97134	0.9
451.10294	11.0
478.99637	0.9
517.30060	1.0
533.17310	2.9
559.12683	1.0
577.13336	9.0
577.21631	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	14.9
59.01372	2.0
61.98826	1.3
70.96703	1.9
71.01384	1.9
81.03455	1.1
83.01369	5.2
85.02962	7.1
89.02416	0.9
93.03452	2.1
95.01363	0.8
95.05013	2.1
96.96030	0.7
97.02960	3.1
102.77881	0.9
107.05007	1.3
108.02191	0.8
109.02948	14.8
111.00871	1.2
115.29271	0.7
116.92910	0.7
117.03449	0.7
121.02995	2.5
122.03739	1.1
123.04536	11.3
125.02451	100.0
126.02779	2.9
126.76048	0.7
133.02956	2.9
135.04532	3.5
137.02446	21.2
139.04008	2.8
145.02969	1.6
147.02946	1.0
147.04486	0.8
149.02441	4.6
150.03185	1.0
151.04013	9.7
154.02763	0.7
159.04530	2.4
161.02455	24.4
161.06078	2.8
162.03183	1.6
163.00363	1.4
163.04025	2.9
164.01146	4.0
165.01906	3.8
167.03488	2.0
169.38153	0.8
173.06073	0.7
174.03169	1.0
175.04068	6.5
175.07686	1.2
177.01926	6.1
179.03464	5.1
185.06078	1.0
186.06604	0.9
187.03975	5.6
188.04764	2.9
191.01996	3.4
191.05597	4.1
193.05048	0.9
195.03038	1.3
201.05585	1.6
202.06328	1.1
203.03381	1.3
203.07162	7.7
205.01425	2.2
205.05008	7.1
209.03032	1.4
215.03470	1.5
217.05064	2.4
219.02948	0.9
221.08176	1.3
227.07143	2.2
229.05066	2.8
231.02838	1.2
231.06790	1.0
243.02997	2.2
245.04550	3.3
245.08185	11.8
247.06224	1.1
253.04990	1.0
255.02969	4.9
256.03860	2.6
269.04602	2.2
271.06213	1.0
273.04074	4.5
281.04492	2.3
281.34296	0.9
285.04041	2.1
287.05606	9.5
289.07193	63.5
290.07578	2.7
299.05554	5.3
339.08603	3.7
381.09949	1.7
407.07718	40.1
408.08090	2.4
425.08755	21.5
426.08865	1.1
451.10309	12.5
452.10535	1.7
533.17914	3.1
559.12659	1.0
577.13403	8.3
577.21021	1.3
578.14545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	16.6
59.56506	0.9
64.83423	0.9
69.65120	5.2
81.03462	2.8
83.01379	5.6
85.17831	0.8
93.03469	2.5
95.01385	1.3
95.05011	3.0
97.02946	4.2
98.19987	1.5
107.05006	1.4
109.02958	22.6
118.77933	0.9
120.44861	0.8
121.02936	3.9
122.03761	2.1
123.04539	15.6
125.02451	100.0
126.02795	1.7
133.02998	3.9
135.04536	3.3
137.02446	18.9
139.04004	3.2
143.05011	1.0
147.04539	1.6
149.02455	5.8
150.03146	1.5
151.04015	15.6
159.04509	3.1
160.05243	1.1
161.02451	27.4
161.06035	4.8
162.03136	2.6
163.00365	2.2
163.04037	2.6
164.01202	5.7
165.01939	5.0
167.03505	2.1
169.39120	0.9
169.92004	0.8
175.04004	11.4
175.07524	1.3
177.01930	6.5
179.03506	4.9
184.05272	0.9
187.04021	8.6
188.04793	2.7
189.05574	1.4
191.03468	1.1
194.56146	0.9
199.04013	1.2
199.08018	1.1
201.05550	1.8
202.06316	1.1
203.03424	1.8
203.07111	9.7
205.01447	2.2
205.05038	7.5
212.04811	1.5
213.05545	1.7
214.02678	1.4
215.03552	1.9
217.05125	2.2
221.08171	2.7
227.03496	1.8
227.07202	1.6
229.05055	3.4
231.02925	1.3
243.02969	3.3
245.04510	5.2
245.08182	14.9
247.06068	1.2
253.05179	1.6
255.02994	10.0
256.03754	5.5
257.04471	2.1
269.04572	2.3
271.05960	1.1
273.04053	3.0
281.04483	3.8
283.02444	2.2
285.04037	3.3
285.07190	1.0
287.05695	10.1
289.07187	67.7
290.07568	3.6
297.04129	1.2
297.07471	1.5
299.05609	5.7
329.06744	2.0
331.08243	0.9
339.08780	3.0
363.08987	1.1
373.01328	0.9
381.09744	2.7
407.07693	62.3
408.08115	3.1
425.08771	29.0
426.09198	2.0
451.10379	16.3
452.10715	1.4
559.12561	1.3
577.13568	8.7
578.13647	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1349
Annotation	ent-Epicatechin-(4alpha->8)-ent-epicatechin
Peak:m/z	Relative Intensity
54.70560	0.9
57.03450	16.6
70.96722	1.6
70.97047	1.6
81.03458	2.7
83.01395	4.0
85.02927	1.4
87.04564	0.9
89.03980	0.9
93.03440	2.3
95.01415	1.3
95.05023	2.6
97.02956	4.4
97.37321	0.9
107.05048	1.6
108.02206	1.2
109.02955	20.9
119.04984	0.9
121.02960	3.6
122.03709	2.7
123.04525	16.6
125.02448	100.0
126.02785	2.3
133.02997	5.5
135.04524	3.2
137.02460	18.4
139.04010	3.6
146.03699	1.2
147.04463	1.7
149.02422	6.2
150.03226	1.0
151.04001	14.8
158.03680	1.4
159.04483	3.4
161.01131	1.6
161.02440	27.6
161.06052	4.7
162.03152	2.3
163.00363	2.8
163.03984	4.0
164.01154	4.2
165.01910	5.3
167.03462	2.6
174.03442	0.8
175.03967	10.0
175.07581	2.1
177.01955	5.5
177.05547	1.4
179.03522	5.1
185.06064	1.3
187.04021	6.2
188.04797	3.9
189.01892	1.3
189.76244	1.1
199.03882	1.3
202.06310	2.1
203.03511	1.0
203.07146	10.1
205.01428	2.8
205.05040	8.8
211.03888	1.1
213.05426	2.1
214.02657	1.2
215.03471	1.2
217.05128	0.9
217.08757	0.9
221.08232	2.3
225.05589	1.1
227.03560	2.1
227.07167	2.2
229.04955	2.9
241.05020	1.0
243.02953	1.8
243.06554	1.7
245.04552	3.9
245.08136	15.3
247.06006	1.2
251.53415	1.1
253.05168	1.3
255.02946	8.7
256.03784	4.8
257.04553	2.3
269.04559	2.5
271.06210	1.6
273.03979	3.6
281.04504	4.3
283.02496	1.5
285.04028	3.0
287.05627	11.4
289.07166	74.0
290.07547	4.0
299.05603	7.2
301.93378	1.0
329.06509	1.9
339.08774	3.5
366.16995	1.0
381.09705	3.6
407.07651	64.2
408.08017	5.0
425.08734	25.1
426.08859	1.9
451.10361	15.7
452.10635	2.4
559.12402	1.9
577.13507	12.2
580.56366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03193	1.2
57.03452	14.4
59.01076	0.7
59.01378	13.6
61.98816	1.5
67.01898	0.9
71.01380	6.8
71.31429	1.4
73.02957	2.4
75.00880	1.4
76.65641	0.6
79.73941	0.7
81.03457	1.3
81.92458	0.8
83.01370	4.9
83.41792	0.7
85.02953	3.6
85.37753	0.8
87.00867	0.8
89.02442	3.7
93.03480	1.9
95.05026	1.8
97.02940	4.6
99.04501	1.1
101.02454	3.5
108.02193	0.7
109.02956	15.2
109.68772	0.7
113.02451	4.3
117.03391	1.0
119.03478	1.8
121.02962	3.8
123.04527	10.6
124.23250	0.7
125.02444	100.0
126.02779	1.7
132.45015	0.7
133.02963	3.8
135.02988	1.4
135.04543	1.4
137.02444	19.2
139.04050	2.4
149.02443	3.1
151.00386	0.8
151.04016	10.4
159.04541	1.9
160.05338	1.1
161.02435	24.9
161.04536	1.2
161.05989	3.6
162.03151	2.0
163.00327	1.5
163.04025	3.7
164.01132	3.9
165.01968	4.2
165.04034	5.3
167.03467	1.5
173.06013	1.1
175.03995	6.4
175.07617	1.5
177.01930	4.5
179.03479	4.0
179.05629	1.0
185.06090	1.1
187.03999	5.8
188.04732	1.9
191.05621	2.8
199.03973	1.0
201.05559	0.9
202.06342	1.3
203.03441	1.9
203.07106	7.5
205.01465	1.6
205.05016	5.8
205.12408	1.0
211.03972	0.9
215.03392	1.4
217.05081	1.0
221.08199	1.5
227.03505	1.4
227.07129	1.4
229.05013	2.4
231.02937	1.4
243.02870	2.1
243.06566	1.0
245.04623	3.5
245.08192	10.2
247.06026	1.1
249.11369	1.0
255.03041	5.6
256.03754	2.9
257.04562	0.8
259.06174	0.8
269.04517	1.0
271.06039	1.4
273.04047	3.7
281.04514	2.6
285.04007	1.6
287.05588	7.1
289.07175	51.0
290.07562	3.0
299.05527	6.7
329.06686	1.0
339.08698	3.1
381.09827	2.0
389.06891	1.0
390.70544	0.8
407.07687	37.5
408.08105	2.4
425.08780	20.1
426.09195	2.4
451.10300	11.5
463.08850	1.0
517.26019	3.4
535.27679	2.2
559.12543	1.3
577.13660	8.3
577.21527	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	577.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	14.3
58.91101	0.8
59.01376	1.6
69.03453	1.1
71.01383	0.8
73.02937	1.2
75.17377	0.8
81.03454	2.0
83.01371	5.0
85.02950	1.3
91.49567	0.8
93.03447	2.6
95.05002	1.8
97.02945	3.1
98.19909	1.3
107.05016	1.9
109.02954	18.8
117.03416	1.0
121.02951	3.2
122.03739	1.1
123.04518	13.8
125.02443	100.0
126.02776	2.7
130.85617	0.8
131.05038	1.1
133.02979	3.8
135.04565	2.2
137.02437	20.3
139.04021	3.9
145.02869	1.3
146.03700	1.2
147.04442	0.9
149.02441	5.2
150.03174	1.4
151.04002	13.3
152.04349	1.0
158.28293	0.9
159.04562	2.4
161.02440	26.5
161.06100	2.9
162.03212	1.7
163.00362	2.2
163.03989	3.8
164.01123	6.4
165.01924	4.9
167.03516	10.1
173.06071	0.8
174.03258	0.8
175.03996	11.4
177.01900	5.5
177.05574	1.2
179.03497	4.6
183.04420	0.8
185.06082	1.0
187.04031	6.4
187.05496	1.2
188.04713	2.1
189.05545	1.5
191.03854	1.2
191.05605	6.8
193.05022	0.9
198.83128	1.0
199.03900	1.1
199.07578	0.9
201.05550	2.9
202.06203	0.9
203.03387	1.4
203.07147	10.1
205.01387	2.5
205.05016	7.1
213.05566	1.3
215.03517	1.5
217.05055	2.8
221.08241	1.1
225.05582	1.1
227.03587	1.2
227.07187	1.4
228.04056	0.8
229.04961	4.0
231.03075	1.4
243.02951	2.7
245.04553	5.3
245.08176	13.2
246.08409	1.1
247.06094	1.9
255.02945	7.6
256.03693	4.0
257.04474	2.5
269.04404	1.5
271.06094	1.0
273.03973	4.2
281.04568	3.2
283.02386	2.2
283.45889	0.9
285.03931	3.3
287.05597	9.4
289.07169	61.8
290.07462	4.3
297.03973	0.9
299.05539	5.7
329.06589	1.7
339.08710	2.9
371.09836	2.1
381.09830	2.3
407.07678	53.6
408.07983	4.5
425.08728	21.3
426.09219	2.1
449.08649	0.9
451.10321	12.4
452.10867	1.3
577.13605	7.4
577.21625	1.7
579.46167	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	26.6
68.68417	0.4
78.95902	24.8
93.65083	0.4
99.88763	0.4
107.33757	0.3
122.98504	0.7
127.07677	0.5
152.99585	3.9
160.04118	0.4
168.04321	4.1
224.06924	11.2
233.22626	0.4
242.08081	2.6
259.20596	0.8
275.20242	0.8
277.21704	100.0
278.22076	5.3
484.16739	0.5
502.29407	86.4
503.29828	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	577.1202
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
57.03459	1.2
59.01382	3.5
61.98548	0.8
61.98821	5.3
71.01384	1.8
73.02943	1.0
80.50115	0.7
82.33688	0.7
85.02946	3.3
89.02454	0.8
96.95962	1.0
97.02975	0.7
101.02481	0.9
102.70754	0.7
113.02410	0.7
113.18722	0.7
129.02005	0.7
133.02971	1.3
135.04562	0.8
137.02319	0.8
142.16803	0.7
149.02441	2.1
155.05055	0.9
163.04030	0.9
164.04781	1.2
164.98294	1.9
165.99094	2.3
167.03510	1.4
167.36972	0.8
186.03128	0.9
191.01959	0.8
191.03531	1.1
198.03206	1.0
199.03920	1.6
215.03497	1.3
215.10017	0.7
221.98976	0.8
223.06108	2.2
226.02693	0.7
227.03479	1.5
242.02180	3.2
243.02979	2.1
247.26155	0.8
254.02164	0.8
257.04556	1.2
270.01703	23.2
271.02460	43.0
272.02844	1.6
285.04074	9.1
298.01117	1.6
299.01968	22.8
300.02316	1.2
313.03534	27.3
314.04327	34.2
315.04620	1.6
328.05945	4.2
329.06668	100.0
330.06979	4.9
451.68057	0.9
491.28790	0.9
517.20831	0.9
518.10760	2.5
533.13000	21.1
534.13562	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.1
59.01381	74.3
61.98832	56.5
65.00323	2.8
68.23632	1.8
71.01389	7.7
73.02974	3.4
75.00884	2.8
81.55259	2.2
83.01419	2.3
85.02948	14.4
87.00903	2.4
89.02464	4.3
96.96012	8.0
99.23150	2.1
101.02458	6.2
108.19986	1.7
109.02939	3.3
109.69688	1.9
110.00112	3.8
111.00912	1.9
114.05633	1.9
119.05018	6.5
121.02955	14.1
123.00925	2.4
123.04530	6.9
124.01625	4.0
124.78913	2.0
125.02466	14.1
129.01936	3.1
133.02950	3.9
134.03748	3.4
135.04507	4.8
137.02501	4.0
137.99568	2.1
149.02493	3.5
149.99585	4.6
151.03989	4.2
152.01163	2.1
153.01990	2.8
161.02507	4.1
163.03998	5.1
164.04782	4.0
164.98309	11.6
165.04054	3.5
165.99084	8.2
167.03549	14.2
168.00676	5.9
169.01385	2.0
175.03995	2.1
179.03482	3.6
183.04492	3.9
191.01880	2.9
191.03514	2.9
191.05475	2.1
193.01498	2.5
193.05038	3.5
195.02975	3.6
199.04063	2.3
209.02852	2.4
209.04599	2.8
214.92494	2.2
215.03337	2.7
223.06229	4.7
227.03482	6.4
230.24110	2.1
242.02135	2.6
245.04596	1.9
255.02957	5.8
270.01712	11.9
271.02438	7.5
285.01004	2.0
285.04074	7.2
289.07318	2.8
299.01956	40.7
300.02411	2.3
313.03616	16.5
314.04321	96.0
315.04709	10.7
321.87103	1.9
328.05789	7.7
329.06659	100.0
330.06912	6.8
340.09473	14.4
354.32346	2.6
355.11877	34.6
355.25049	1.8
415.15952	6.0
473.74884	2.4
505.13406	5.6
533.13269	10.4
533.20471	3.0
533.29480	3.9
550.87268	2.2
577.15411	18.7
577.31775	6.0
583.94641	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	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51717	0.2
61.98829	100.0
62.98534	0.2
62.99244	0.2
63.70094	0.1
70.54514	0.4
71.01373	0.2
79.95743	0.2
80.96510	1.5
94.70113	0.2
94.70773	0.1
94.98063	0.3
104.91863	0.1
122.97561	0.2
134.97630	0.2
152.98663	0.3
164.98723	0.2
213.88371	0.2
214.67038	0.1
225.00789	0.3
277.21771	0.4
278.22183	0.3
279.22351	0.5
280.22528	0.2
577.26794	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	576.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.5
59.10177	0.2
60.08058	0.2
69.95718	0.6
69.96124	0.3
71.01366	0.3
78.95899	7.9
79.05836	0.2
83.05036	0.2
100.57952	0.2
107.05574	0.2
115.57907	0.2
124.22063	0.2
127.07558	0.3
150.90552	0.2
152.99573	1.2
168.04263	1.9
203.07253	0.2
205.19797	0.2
214.22307	0.2
222.80908	0.2
224.06978	1.0
233.22668	0.3
242.07957	3.1
259.20676	0.5
275.19873	0.4
277.21701	100.0
278.22049	6.3
293.77512	0.2
406.71698	0.2
502.29385	40.2
503.29730	3.6
539.27356	0.3
540.26605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71562	0.2
61.98833	100.0
63.86766	0.2
69.81551	0.4
69.81952	0.9
71.01396	0.2
78.95923	1.4
80.96519	1.7
93.94656	0.2
94.98063	0.3
98.19906	0.3
115.92105	0.3
127.15178	0.2
180.90063	0.3
225.00871	0.3
277.21707	0.4
278.22186	0.6
279.22430	0.4
318.73419	0.2
328.76529	0.2
501.31400	0.2
576.20844	0.7
577.27008	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13222	0.5
55.73239	0.4
57.03443	1.3
59.01380	9.5
60.85969	0.4
61.98828	3.4
65.90691	0.5
68.17486	0.4
69.03448	0.5
69.37719	0.4
71.01385	1.5
71.55289	0.5
71.55629	0.6
73.02950	1.6
83.01392	2.5
83.05020	1.2
85.02980	1.5
87.00860	2.7
88.98815	2.6
93.03425	2.6
95.05027	0.8
101.02451	2.0
107.05048	0.9
111.00870	0.6
111.04539	0.5
113.02454	0.8
119.05026	100.0
120.05240	2.4
125.02481	0.6
135.04543	1.1
143.03502	0.5
157.06628	0.5
161.09717	4.7
161.13332	1.6
163.04005	67.1
163.11287	1.2
164.04338	1.3
173.04532	2.0
187.11281	7.0
189.09193	4.3
191.05545	2.1
203.10780	0.7
205.12346	2.8
207.10258	1.3
223.13315	2.3
231.10213	1.3
249.11263	4.0
267.12393	3.0
273.11182	0.8
291.12372	0.6
315.12320	0.8
325.09354	2.6
333.13510	1.0
351.14368	0.9
369.13403	0.9
411.16592	6.9
451.43851	0.5
515.19812	0.5
531.28186	1.5
575.21259	30.7
575.29279	1.6
576.21857	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	575.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71103	2.1
57.03445	2.9
59.01379	23.6
59.49140	2.6
59.56136	2.3
61.98833	16.4
69.46945	15.1
71.01383	39.8
73.02955	13.1
83.01373	3.6
85.02942	12.8
87.00880	3.3
88.43172	2.6
89.02442	12.2
91.03020	2.2
93.03452	2.7
94.52246	2.4
95.01378	4.1
99.00901	6.3
101.02448	20.2
113.02469	12.9
116.92873	3.3
117.71844	2.4
122.56229	3.0
125.02418	3.8
125.93608	2.4
161.04552	11.2
191.05569	4.2
204.34442	2.6
263.88028	2.6
383.24121	13.2
479.38760	2.6
515.28577	100.0
516.28693	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	575.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26297	0.7
59.01377	11.4
61.51186	0.6
61.98816	1.7
63.49265	0.6
64.40714	0.6
66.67186	0.7
67.70499	0.7
71.01366	2.8
71.54095	0.9
89.02442	2.7
101.02447	2.9
108.02157	3.2
109.02933	0.8
113.02499	0.8
119.03497	0.7
152.01135	1.6
161.04596	1.3
209.11897	0.7
235.08296	1.0
240.23967	0.6
253.09248	12.4
261.22180	0.7
279.23273	100.0
280.23541	4.5
323.46387	0.7
363.51666	0.8
474.84824	0.8
543.38208	0.7
575.28534	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	575.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.7
61.98815	0.8
71.01373	2.8
71.25274	0.3
71.54656	0.5
73.02953	0.6
77.38013	0.3
78.95878	0.5
82.38110	0.4
84.12225	0.4
85.02937	1.1
89.02434	2.6
101.02431	2.9
113.02419	1.0
119.03521	1.0
161.04536	1.3
179.05521	0.4
228.13266	0.4
235.08247	1.1
238.00258	0.3
253.09270	13.1
272.09961	0.4
279.23279	100.0
280.23569	6.0
352.87338	0.4
460.58847	0.4
515.32544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59768	1.1
58.40730	1.1
59.37083	1.1
61.88082	1.0
61.98832	5.8
62.96413	1.3
71.01369	3.1
71.52962	1.3
74.80285	1.1
77.24400	1.3
78.95905	100.0
79.95773	1.9
80.96515	14.0
81.22397	1.1
94.98067	3.0
96.96009	1.7
96.96970	5.7
99.92583	15.5
114.94923	9.4
115.92080	15.6
116.92877	8.1
140.01172	2.6
141.96010	15.6
143.71497	1.3
148.99142	1.3
150.98015	3.6
152.99590	57.8
154.04314	1.4
156.02158	1.8
157.47089	1.0
160.90450	0.9
163.89780	2.7
164.98590	1.8
171.00652	2.9
178.88414	9.1
179.89229	24.5
180.90108	7.8
186.03230	1.4
192.00803	1.8
196.89473	34.7
198.03110	1.4
204.92366	1.7
205.90739	1.3
205.93224	3.8
223.94221	2.0
225.00696	3.9
229.05013	1.1
235.91817	7.9
236.92627	3.1
242.02173	6.6
252.92151	1.6
259.94147	1.2
270.01657	22.5
277.95221	5.8
279.23257	31.1
285.04047	5.1
298.01300	1.8
313.03540	32.1
314.04022	2.0
433.23468	4.4
459.12460	1.8
474.25919	1.3
476.27792	1.8
499.15561	5.4
516.15863	8.0
526.04633	1.2
527.43634	1.3
533.16022	1.9
540.18433	14.2
541.18109	1.9
558.19318	13.1
572.17218	3.4
576.20331	51.8
577.27338	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	575.1765
Annotation	Littoraloin
Peak:m/z	Relative Intensity
51.02394	0.4
54.35736	0.3
55.01875	1.2
57.03427	0.7
58.00593	1.4
59.01379	67.0
60.01711	0.4
61.98817	0.6
67.01887	2.0
69.03458	1.6
69.50758	1.8
69.51172	0.8
71.01381	36.3
72.01725	0.4
72.99317	1.7
73.02945	65.8
74.03280	0.7
75.00886	0.9
81.03454	0.9
83.01385	16.0
84.01710	0.4
85.02950	3.4
87.00892	0.8
89.02445	6.8
95.01410	0.9
97.02985	1.0
99.00890	1.0
101.02441	39.7
102.02777	0.7
107.01357	0.5
108.02185	1.6
109.02946	0.6
111.00907	0.4
112.18387	0.3
113.02446	7.2
119.03492	1.5
119.05038	0.6
121.02958	1.4
123.00872	1.0
123.04549	0.8
124.01626	0.5
125.02431	1.4
128.18935	0.3
129.78394	0.4
131.03505	2.3
132.05846	0.5
136.01649	1.6
137.02483	0.8
142.14250	0.3
143.03516	1.9
143.05054	0.4
146.03754	1.1
149.04568	2.1
151.04007	2.3
155.03496	0.7
159.04498	2.1
160.05249	1.7
161.02486	0.5
161.04546	6.1
163.04047	1.2
165.01956	2.4
171.04559	1.9
172.05229	1.0
173.02390	0.6
175.02554	0.4
175.03964	0.5
176.04831	0.8
187.03990	11.6
188.04785	40.9
189.05356	2.9
190.06372	1.4
191.07137	0.7
203.07129	73.4
204.07405	2.5
208.87498	0.3
308.06946	0.4
323.09293	1.1
338.07797	2.6
339.08618	0.6
341.10278	1.7
353.10278	10.7
354.10651	0.9
357.09647	0.8
363.88239	0.4
371.11328	7.9
372.11807	0.8
425.14548	0.5
515.15472	3.8
533.16681	6.1
534.16663	0.5
575.17657	100.0
576.17908	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	575.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
58.85170	0.4
59.01380	12.0
61.98834	2.2
67.01880	0.5
71.01379	2.6
73.02953	1.4
83.01378	2.5
83.05013	0.9
85.02952	1.5
87.00875	2.7
89.01928	0.4
89.02438	0.9
93.03457	3.5
97.02911	0.5
101.02453	1.8
107.05036	1.2
110.59223	0.3
111.00854	0.6
111.04530	0.5
113.02451	0.9
116.92858	0.5
119.05028	100.0
120.05296	2.1
125.02460	0.4
125.93437	0.4
134.03749	0.8
135.04550	0.6
137.02423	0.6
146.07327	0.4
147.08212	0.4
152.04865	0.5
161.04494	0.5
161.09708	4.9
161.13295	1.8
163.04007	67.0
163.11287	0.6
164.04352	1.4
173.04555	3.7
173.05959	0.6
174.03271	0.4
174.92384	0.4
179.03661	0.4
187.11293	6.0
189.09227	3.7
191.05562	2.1
193.05106	0.8
203.10832	0.7
205.12323	2.8
207.10284	1.5
209.11795	0.4
213.05667	0.4
213.09233	0.6
214.02635	0.7
223.13339	1.1
227.07199	0.5
230.86314	0.4
231.10237	1.1
233.96992	0.4
242.02191	1.1
249.11334	3.9
267.12326	2.8
270.01776	1.0
273.11414	0.7
291.12436	0.4
315.12390	0.7
325.09265	1.9
327.12460	1.6
333.13495	0.9
351.14688	0.8
369.13260	0.5
371.61237	0.4
375.53455	0.4
411.16586	7.7
411.21591	0.7
459.08963	0.4
475.11594	0.4
515.32184	2.7
531.28528	0.4
533.33704	0.6
575.21423	39.1
576.21783	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	575.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
59.01112	0.6
59.01381	9.5
61.98824	5.6
68.99819	1.0
69.03456	0.8
71.01390	3.2
71.54622	0.6
73.02939	1.5
75.00843	0.7
81.03461	0.9
83.01385	1.0
84.02161	2.2
85.02952	10.3
87.00886	0.9
87.02736	1.7
89.02433	1.6
91.01865	0.5
93.03455	2.3
95.01390	1.4
96.95986	1.5
97.02939	1.4
99.04475	0.9
101.02448	1.7
107.04974	0.8
108.02172	15.1
108.02911	0.8
109.02960	7.6
110.28406	0.4
113.02460	1.0
117.03499	0.7
119.03518	0.5
119.05031	1.7
120.01221	0.6
121.02965	6.7
122.03775	2.7
123.00887	1.0
123.04545	4.7
124.01674	0.8
125.02448	1.0
129.01941	1.4
130.04262	0.7
131.05014	0.5
133.02959	1.0
134.03763	3.0
135.00874	1.3
135.04495	1.7
136.01659	14.5
137.02458	10.2
137.53934	0.4
139.66872	0.5
143.05019	1.2
145.02942	1.4
145.06584	1.0
146.03711	1.1
147.04524	3.0
148.05363	3.8
149.02452	1.9
149.06073	3.7
150.03230	1.3
151.04002	10.4
158.03687	1.3
159.04523	3.9
160.05292	3.8
161.02376	1.4
161.04701	0.8
161.06070	3.5
162.03191	1.5
162.06897	2.7
163.03989	3.5
163.07664	3.1
164.04808	1.1
165.01926	24.9
165.05624	0.7
166.02242	0.6
167.03473	1.1
171.04486	0.8
172.05275	6.5
173.00967	0.7
173.04642	1.0
173.06067	3.0
174.03206	1.4
175.03976	8.1
175.07599	2.1
176.04782	12.0
177.01978	0.8
177.05621	4.4
179.03520	1.0
187.03987	2.4
187.07640	1.9
188.04797	4.3
189.05583	17.9
190.06345	23.8
191.03490	2.0
191.05795	1.0
191.07130	26.5
192.07462	0.7
193.05014	2.3
194.20900	0.5
201.05547	1.5
203.03589	0.5
203.07132	12.5
203.08911	1.0
205.03363	0.6
205.05107	6.6
205.08699	11.6
206.05750	1.0
217.05040	2.1
219.06607	0.9
221.06393	1.1
221.08206	1.7
235.06078	0.7
244.65311	0.5
251.07246	0.7
253.05380	0.5
263.07150	0.5
267.06531	1.6
279.06616	1.5
280.07434	0.7
282.08905	1.1
292.07159	0.7
294.05179	0.5
295.06290	1.1
295.09564	0.6
296.06961	0.7
308.06940	1.7
309.07654	1.3
310.08472	1.3
311.09222	6.1
312.09875	0.6
313.10699	0.6
320.06689	0.5
323.05600	1.5
323.09317	2.1
324.09940	0.7
325.10864	1.1
338.07855	1.6
341.10294	40.8
342.10739	5.4
353.10303	26.4
354.10596	1.3
355.08334	0.8
371.11328	100.0
372.11624	6.0
379.12015	0.6
413.21735	2.2
435.14597	1.3
515.15576	0.7
517.17279	0.5
532.19110	0.9
547.21924	2.5
575.20575	0.6
575.30164	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	575.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.5
57.03438	1.3
58.00591	1.6
59.01379	100.0
60.01713	0.5
61.98829	1.6
66.23114	0.5
68.99839	0.8
69.03455	1.9
69.45123	3.2
71.01382	38.1
72.99303	1.7
73.02946	46.5
75.00877	1.5
79.90445	0.5
81.03445	0.5
83.01387	14.1
85.02946	7.7
87.00887	1.5
89.02441	10.9
93.03464	1.4
95.01385	3.3
97.02956	1.2
99.00887	1.3
101.02442	45.1
108.02177	3.1
109.03013	0.7
113.02446	22.6
119.03500	4.4
119.05022	1.4
121.02939	1.6
123.00892	1.1
123.04505	2.9
124.46300	0.5
125.02468	2.9
129.01910	0.5
131.03502	4.4
131.05035	1.6
136.01657	61.0
137.01945	0.7
143.03510	4.0
143.05098	0.6
145.02925	1.2
147.04514	0.5
149.04550	4.7
151.04004	76.7
152.04318	1.7
155.03447	1.7
155.04770	0.5
156.30643	0.5
158.02472	0.5
158.03773	0.7
159.04504	6.6
161.04568	11.1
163.03989	1.2
165.02007	0.6
171.04504	1.1
173.02440	0.6
173.04526	1.5
173.05981	0.6
179.05620	0.9
185.02319	0.8
189.05632	1.0
191.05580	3.4
199.04076	2.6
202.02791	0.9
203.05499	0.8
217.05092	3.6
219.06552	1.0
221.06589	1.4
223.80634	0.5
233.06047	0.5
251.07198	0.5
261.05475	0.7
262.06375	0.5
263.07114	1.9
279.06509	2.3
280.07568	0.7
289.05310	0.7
290.05780	0.7
291.06503	2.8
292.07553	2.4
293.08002	0.7
305.08167	1.9
307.06094	3.5
308.03592	0.7
308.06894	10.2
309.07303	0.7
319.06021	1.5
320.06812	2.2
323.09207	20.3
324.09579	1.5
335.09363	1.4
341.10455	0.7
353.10266	14.9
354.10733	0.8
355.16788	0.5
371.11234	1.6
391.67584	0.5
515.15546	1.1
531.27954	5.6
531.40582	0.5
575.31439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63054	0.8
53.29915	0.8
55.01875	5.1
57.03451	12.1
57.15271	0.8
59.01378	10.9
61.98832	8.8
67.01907	6.6
67.39179	0.8
68.60186	0.8
71.01382	7.0
71.02782	1.5
71.03102	0.9
72.99317	1.7
73.02942	3.9
75.00854	1.0
79.95722	1.5
80.11369	0.7
83.01387	33.1
84.02154	3.3
85.02952	94.0
86.03284	1.1
87.00871	1.9
88.98809	1.6
89.02450	1.5
89.03965	2.8
93.03460	2.2
95.95237	0.9
96.96033	4.7
97.02961	2.3
99.00876	2.2
99.04507	2.3
100.01630	1.0
101.02451	4.0
106.04179	0.8
108.02153	2.6
109.02936	3.5
111.00885	100.0
112.01236	1.5
113.02448	1.3
117.03479	8.7
119.05030	3.1
121.02949	3.4
123.04547	5.3
124.01655	1.4
125.02459	8.2
127.00361	1.3
127.03943	0.7
129.01947	43.8
130.02240	1.5
132.02190	8.1
133.02977	1.6
134.03748	92.2
135.04439	3.5
137.02438	8.1
139.03975	1.5
143.03539	1.6
145.02968	2.0
147.03017	1.2
147.04532	1.0
149.02391	2.5
149.06084	13.7
151.03957	1.2
154.99831	1.8
155.10780	1.2
159.04478	1.2
160.01660	34.6
161.02480	7.3
161.04539	10.1
162.03267	4.4
163.03955	2.4
167.03520	3.9
173.00932	1.7
173.04636	1.1
173.06056	1.5
174.03233	1.2
174.06802	1.1
175.04004	58.4
176.04517	1.9
177.01929	1.5
178.02698	3.5
179.03447	1.5
179.05597	1.2
183.10234	3.0
184.05263	1.0
187.02510	10.0
187.03987	1.4
189.05518	2.4
191.01895	1.3
191.05632	2.2
191.07170	0.9
193.05052	92.3
194.02203	1.5
194.05382	5.9
195.05513	1.2
199.03975	1.4
200.04704	1.8
201.05507	1.2
202.06288	2.4
203.03625	1.3
205.03511	21.8
209.04506	1.8
209.06248	1.2
210.66789	0.9
215.07114	1.3
217.05020	2.6
217.08730	4.6
218.05820	5.3
222.23320	0.8
223.04553	12.3
223.06470	1.0
228.04242	2.8
229.01419	0.8
233.08170	8.0
243.02982	2.4
243.06613	3.6
245.04625	1.0
255.03101	1.0
261.07654	28.8
262.07877	1.3
271.02417	3.2
287.05573	3.5
291.06277	0.9
305.06503	3.9
314.04114	0.8
337.09122	7.2
349.18790	1.0
353.10440	1.1
381.08279	3.1
394.06714	1.4
399.09238	11.4
449.08737	1.7
455.09744	2.2
485.10373	1.8
539.21283	1.0
546.20709	1.2
547.21637	5.7
575.12756	17.4
575.21539	1.8
575.30682	1.2
576.12964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	5.4
57.03449	14.0
58.51930	0.8
59.01382	8.1
61.56088	0.8
61.98839	5.9
67.01896	7.3
68.99828	1.0
69.03439	1.2
70.08854	2.2
70.09255	1.1
71.01385	6.8
72.99324	1.1
73.02950	2.4
74.02095	0.8
75.00862	4.9
80.31273	0.8
81.03458	1.2
83.01392	31.3
84.02179	2.9
85.02956	97.5
86.03267	1.3
87.00912	2.8
89.02444	1.6
89.03971	2.1
93.27623	0.9
96.96024	5.9
98.95587	2.6
99.04536	1.4
99.92597	3.5
101.02447	2.8
103.00391	2.1
108.02184	3.1
109.02993	1.6
111.00891	100.0
112.01268	1.0
116.92857	9.1
117.03479	6.5
119.05042	1.5
123.04514	2.1
125.02448	5.9
127.00458	0.9
129.01958	39.8
132.02167	7.0
133.02979	1.2
134.03757	79.8
135.04123	1.3
137.02475	6.5
143.03516	2.5
143.07172	1.0
145.03012	1.8
148.05370	0.9
149.06093	13.6
150.03282	0.9
151.00412	0.9
154.99925	1.7
159.04529	1.0
160.01674	37.0
161.02486	6.5
161.04572	10.8
162.03195	2.9
163.04001	1.7
167.03505	1.3
172.05272	0.9
173.01016	1.4
173.04582	2.4
173.06026	1.3
174.03268	1.5
175.04008	57.6
176.04424	1.3
177.05525	1.2
178.02722	3.8
179.05630	1.4
182.83838	1.0
187.02519	10.8
189.05586	2.0
191.05632	1.9
193.05066	77.8
194.02284	1.4
194.05368	1.6
200.04832	2.0
202.06352	2.7
203.03444	0.8
205.03526	28.2
210.14877	0.9
217.04991	1.9
217.08580	4.9
218.05826	5.6
219.06802	1.1
223.04591	11.5
228.04308	1.7
233.08189	7.7
243.06651	4.5
261.07672	28.6
287.05594	2.6
295.73831	1.0
305.06671	4.3
337.09293	8.1
341.10217	2.6
353.10266	2.2
355.10559	1.0
381.08282	1.7
399.09290	11.9
557.04272	2.3
575.04980	3.7
575.23370	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32322	1.0
59.01375	11.5
59.47901	1.3
60.01704	1.8
61.01798	1.2
61.98828	100.0
69.23549	1.0
69.72264	1.0
78.62251	1.1
87.30033	1.0
88.14101	1.1
116.29841	1.1
132.53461	1.1
139.51184	1.1
158.28156	1.2
217.33643	1.1
311.17050	1.1
314.22226	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92322	1.5
59.01374	4.0
61.98843	3.5
63.29637	1.6
67.77515	1.8
71.54403	3.1
84.60815	1.7
85.02940	4.5
90.26676	1.7
134.03778	2.2
135.04488	2.2
139.87720	1.8
143.29868	1.7
149.02455	2.7
164.98293	3.3
170.03737	2.9
172.01648	5.2
201.01918	2.0
202.02721	8.5
214.02812	2.8
230.02206	7.0
242.02286	4.3
258.01721	12.8
285.00235	2.7
286.01199	23.6
301.03549	2.4
314.00681	22.7
315.01453	15.0
329.03027	100.0
330.03647	17.7
353.42236	1.8
411.89096	1.9
442.21866	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	574.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12970	2.4
59.01369	9.1
61.98825	11.6
64.10694	2.7
71.52885	2.7
78.42212	2.8
84.18924	2.7
91.45432	2.4
93.03458	2.9
95.46056	3.1
114.05633	2.7
114.64886	2.4
167.08623	3.1
181.06485	3.9
185.06039	3.5
187.03961	7.2
195.04568	4.6
197.06093	7.4
201.01868	3.2
209.06154	3.1
209.09679	6.6
211.04012	15.0
212.04822	9.4
213.09140	2.7
215.03523	9.9
217.66095	3.3
227.07103	6.8
229.05081	5.5
235.07637	6.1
237.05524	3.3
237.09261	5.7
239.03461	3.5
255.06721	3.7
263.06989	4.3
319.05945	3.2
324.15891	3.1
328.15540	13.3
352.15439	4.8
368.14999	9.7
396.14441	45.5
411.16876	99.2
412.16891	6.2
439.16327	39.6
518.22211	3.2
530.22168	6.5
546.21375	24.4
574.20831	100.0
575.21222	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	574.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61180	1.6
57.49800	1.4
61.98835	10.2
63.05733	1.4
68.72470	1.5
71.11192	3.4
93.03469	2.8
93.67687	1.6
110.40751	1.8
114.05563	1.9
141.07193	2.2
151.03981	1.9
159.04494	5.6
162.83917	32.5
167.04985	1.8
169.10236	1.9
173.02428	2.6
173.06059	2.0
183.04498	3.4
184.05275	2.4
185.06097	2.6
187.04016	11.8
188.01178	4.5
195.04495	3.8
197.05992	4.0
199.07727	2.1
201.01883	2.8
201.05576	3.5
209.06099	2.7
209.09685	6.5
211.04004	12.5
212.04767	8.9
213.09007	2.3
215.03535	13.2
225.05528	2.7
227.07166	4.7
229.05019	2.3
235.07552	5.1
237.09200	3.4
239.03441	2.5
240.04303	2.3
249.09039	1.9
255.06602	1.8
263.07114	5.0
275.07132	2.9
324.16077	6.2
328.15558	9.9
350.13904	3.7
352.15558	4.8
368.14844	10.3
378.13748	2.4
382.16608	2.5
396.14481	44.3
397.14948	3.6
411.16864	100.0
412.17395	6.5
439.16360	32.6
440.16748	2.7
530.21802	6.0
546.21295	15.9
574.20801	76.5
575.21442	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	574.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.6
59.73984	1.3
61.98824	12.0
62.96403	2.0
71.54236	2.5
71.76453	1.4
75.47273	1.4
78.95905	100.0
96.96031	3.0
96.96974	6.1
98.95615	2.0
99.92592	14.9
102.92484	1.3
114.94919	6.8
115.92086	13.6
116.92834	7.4
140.01210	2.7
141.96056	11.3
150.98088	3.4
152.99599	54.9
153.00833	3.0
162.80760	1.6
163.22450	1.4
165.91354	1.6
171.00717	2.2
177.18535	1.6
178.88483	7.3
179.89227	26.1
180.90048	8.9
194.87889	2.9
196.03757	2.3
196.89479	30.4
205.90915	2.5
205.93152	5.1
222.93381	1.5
235.91833	6.2
236.92645	2.2
277.21689	19.6
277.95322	6.5
278.22076	1.9
299.66751	1.5
431.22281	3.8
472.24597	1.8
474.26605	1.9
497.13757	3.7
514.14221	4.5
531.14490	1.8
538.16528	13.4
556.17566	10.2
570.15442	3.8
574.18658	41.7
575.19061	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	573.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	0.2
59.01377	11.8
61.98828	1.0
69.22135	1.9
69.62520	0.2
71.01378	2.8
73.02934	0.7
78.85629	0.3
83.01352	0.3
85.02949	0.4
87.00851	0.4
89.02443	2.2
95.01395	0.4
101.02429	2.8
106.85812	0.2
110.12104	0.2
113.02409	1.2
119.03488	0.8
133.05078	0.2
157.05005	0.2
161.04556	1.4
179.05690	0.2
193.59659	0.2
206.20444	0.2
207.22430	0.2
233.22667	0.4
235.08168	1.6
253.09265	15.1
254.09610	0.4
259.20554	0.4
265.84674	0.2
275.20221	0.3
277.21698	100.0
278.22046	5.6
278.24942	0.5
413.83243	0.2
441.36765	0.3
453.27948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55522	0.6
59.01368	2.6
61.98840	4.0
69.68111	3.0
72.00911	1.5
72.04552	9.5
74.02467	1.8
82.06624	1.7
83.57700	0.6
85.02958	1.5
93.03443	2.0
94.70378	0.6
107.05043	0.9
111.01990	1.3
112.07627	1.4
113.02461	0.8
117.00464	0.6
119.05033	8.2
121.02948	0.8
129.10342	21.9
130.08636	1.1
133.05312	0.8
134.06131	4.5
136.07689	1.0
137.02403	0.8
139.08777	1.3
140.07162	0.8
143.11899	1.2
150.53824	0.5
152.12793	0.6
153.06676	1.1
155.08258	9.1
161.02612	0.6
161.74382	0.6
163.04013	5.7
164.07164	1.1
168.10274	1.6
169.09789	1.4
178.02618	0.7
179.15518	2.0
180.06657	16.6
181.06982	0.7
181.09778	1.0
185.12965	4.3
187.10938	2.4
195.14981	0.7
197.16571	3.5
222.16072	1.1
223.14505	6.7
231.07765	0.9
240.17134	0.8
242.18654	1.0
242.83032	0.6
247.14537	2.2
249.16069	11.5
275.14108	1.4
275.21234	1.2
278.18686	0.8
292.23837	1.0
293.15085	11.4
294.15356	0.9
344.16110	3.0
360.22983	1.5
392.25333	0.8
404.21747	1.4
431.20761	0.8
464.96939	0.7
529.33960	1.5
546.20435	0.7
573.32910	100.0
574.33258	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	573.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97665	0.5
59.01377	6.5
61.98832	3.1
65.04008	0.5
65.70996	0.4
67.01865	0.5
68.36475	0.5
68.99805	0.9
69.03448	0.9
70.39036	1.1
71.01366	1.6
74.01196	0.5
83.01367	0.9
84.02166	9.2
85.02954	1.9
88.98811	0.4
89.02431	0.6
90.33180	0.4
90.95269	0.5
91.01891	0.7
93.03445	2.3
95.01370	0.8
96.96021	0.9
97.02943	1.5
101.02453	0.6
103.05544	0.8
104.66256	0.5
106.50864	0.6
107.05038	1.2
108.02173	12.2
109.02983	3.4
116.39415	0.6
117.03505	0.5
119.05034	1.7
121.02952	10.6
121.06573	0.5
122.03801	0.8
123.04498	0.9
125.02431	1.2
131.04980	1.5
133.02948	1.7
133.06589	2.0
134.03728	1.1
135.00815	0.8
135.04526	2.1
136.01669	8.2
137.02435	4.3
143.05013	1.1
145.02908	1.1
145.06494	0.7
147.04573	2.9
148.05292	0.9
149.02492	1.1
149.04526	1.2
150.03189	2.0
151.03979	0.8
159.04543	3.2
160.05290	1.1
161.02377	1.3
161.06081	4.6
162.03194	1.4
162.06877	1.4
163.04015	2.3
163.07625	1.8
165.01955	3.7
171.04550	1.2
173.06100	1.0
174.03174	0.6
174.43753	0.5
175.03996	3.7
176.04774	2.0
177.05672	0.7
177.51880	0.6
178.02684	1.6
182.02252	0.7
187.03886	0.9
189.05585	5.4
190.06349	2.4
191.03482	2.0
191.07158	3.4
193.05080	1.4
201.05516	1.1
204.04239	2.2
219.06648	7.8
234.05298	0.6
239.53786	0.5
281.08221	0.9
282.08868	0.7
283.09760	1.6
293.08215	0.8
305.15640	0.6
307.16837	0.6
311.09427	3.0
327.19843	0.6
339.08740	2.3
340.09500	6.8
341.10141	1.3
363.59894	0.5
369.09778	100.0
370.10089	5.6
429.22778	1.1
441.20786	0.5
447.23813	3.4
469.21722	0.5
476.09369	0.8
487.23132	1.1
513.30518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01381	0.8
61.98827	2.3
70.40296	1.0
70.40655	0.4
71.01387	0.6
71.02823	0.3
73.02942	0.4
77.03980	2.4
83.75418	0.3
85.02937	0.5
87.04528	0.4
89.03966	1.4
93.03458	1.0
95.05035	4.2
101.02431	1.0
105.03468	16.0
121.02953	1.1
123.04504	1.6
131.03519	1.4
133.02962	100.0
134.03795	8.7
135.04550	5.6
137.02446	4.8
139.04013	1.6
149.02446	0.6
149.54691	0.3
150.03145	0.7
151.04045	0.7
158.20059	0.4
177.01930	55.3
178.02708	18.8
178.04286	0.8
179.03453	4.0
180.79594	0.4
309.06296	0.5
384.66360	0.4
396.21729	1.6
440.20779	44.5
441.20959	3.5
572.24921	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	573.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06178	0.4
55.01864	0.8
56.48699	0.4
57.03463	0.8
58.00585	0.7
59.01378	100.0
60.01712	0.4
61.98832	4.3
69.03457	1.8
71.01380	29.1
72.01733	0.6
72.99316	1.5
73.02946	35.3
74.03296	0.5
75.00869	0.6
76.06046	0.4
83.01386	10.1
85.02951	5.0
86.60880	0.4
87.00892	1.1
89.02441	7.6
95.01408	1.4
97.02959	0.4
98.20671	0.8
99.00885	0.4
101.02441	29.3
102.02807	0.5
113.02440	13.5
119.03518	2.6
119.05036	0.5
120.04533	0.4
122.25912	0.4
125.02458	1.3
131.03476	2.7
143.03494	3.0
149.04517	2.6
155.03546	1.4
161.04559	4.7
161.09734	0.5
171.04610	0.4
174.67685	0.4
179.05708	0.4
182.00157	0.4
187.11235	0.9
189.09187	0.4
191.05614	0.9
197.47780	0.4
219.06705	1.4
223.13463	1.5
240.10336	1.5
241.10812	0.8
267.12424	0.9
304.02304	0.4
323.13318	0.6
380.21057	0.5
520.36774	0.4
539.26373	0.4
573.25385	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	572.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00694	0.3
57.77219	0.3
59.01375	0.6
61.98840	1.8
64.76720	0.3
69.03478	0.4
70.66486	1.0
71.01369	0.7
73.02943	1.0
77.03970	2.3
82.64185	0.4
89.03970	0.8
93.03462	1.5
94.19658	0.3
95.05028	5.1
101.02444	0.4
105.03461	15.8
106.04249	1.0
107.39531	0.3
109.02950	0.7
111.00887	0.6
121.02957	4.0
123.04520	1.4
131.03542	0.7
132.02167	0.7
133.02959	97.2
134.03757	32.7
135.04535	24.8
136.04893	0.4
137.02444	20.6
139.04010	6.5
140.04449	0.4
149.02455	1.0
150.03259	2.6
151.04031	0.6
165.01921	0.6
177.01926	33.1
178.02707	94.3
179.03491	26.8
180.03868	0.4
226.71739	0.3
282.06696	0.4
291.76038	0.3
396.21793	5.7
440.20752	100.0
441.21103	8.1
572.25128	9.3
573.25146	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	572.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01375	0.5
61.98837	2.0
71.01385	0.7
71.18282	0.7
73.02954	1.0
77.03982	1.7
78.74641	0.4
85.02940	0.5
89.03976	1.3
93.03471	1.2
95.05046	3.8
97.24387	0.3
105.03467	16.6
106.04281	0.6
111.00872	0.4
118.38377	0.4
121.02944	2.4
123.04533	1.8
131.03464	1.1
133.02960	100.0
134.03775	18.9
135.04533	16.9
136.04878	0.5
137.02441	9.3
139.04004	3.4
149.02460	0.9
150.03227	1.2
151.04028	1.2
165.01904	0.4
177.01929	49.6
178.02710	35.5
179.03496	15.9
198.65410	0.3
396.21835	2.7
411.18192	0.9
440.20752	64.6
441.21088	4.7
508.36621	0.4
572.25061	9.3
573.25189	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61715	0.3
61.98823	1.0
69.03429	0.3
70.39620	0.7
70.40012	0.6
71.01383	0.5
71.72368	0.4
73.02943	0.8
77.03976	1.2
89.03974	0.4
93.03448	1.3
95.05025	1.9
101.02426	0.4
105.03458	7.9
106.04253	1.2
109.02934	0.6
111.00879	0.9
121.02975	3.3
123.04504	0.9
131.03494	1.1
133.02957	46.5
134.03752	32.7
135.04552	7.1
137.02444	20.0
138.02684	0.4
139.04015	6.6
149.02446	0.9
150.03224	2.8
153.29787	0.3
165.01956	0.6
170.50557	0.3
172.52171	0.4
177.01927	8.3
178.02708	100.0
179.03484	9.1
181.32939	0.3
240.11288	0.3
396.21625	1.8
428.09949	0.4
440.20749	71.3
441.21051	4.8
548.31561	0.4
572.24933	6.6
573.25421	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
61.98827	0.4
71.01368	0.4
71.03194	0.5
73.02951	0.8
77.03973	2.4
81.55190	0.2
87.00869	0.3
89.02482	0.2
89.03974	1.6
93.03467	0.7
95.05025	4.3
99.32272	0.2
101.02470	0.5
105.03465	17.3
106.04312	0.3
108.02222	0.2
109.02985	0.2
109.47710	0.2
111.00912	0.3
121.02959	1.5
123.04542	1.6
131.03511	0.7
132.02208	0.6
133.02962	100.0
134.03789	11.3
135.04533	6.5
137.02451	6.3
138.01962	0.8
138.02866	0.2
139.04031	2.3
149.02466	0.5
150.03223	0.7
151.04007	0.5
165.01993	0.3
170.98817	0.2
177.01933	58.5
178.02708	30.6
179.03491	6.5
195.03000	0.3
197.07890	0.2
211.27457	0.2
274.95358	0.2
290.97211	0.2
309.06174	0.9
396.21768	2.2
428.23193	0.2
436.75183	0.2
440.20767	44.9
441.21100	3.6
541.10590	0.2
572.24994	6.3
573.25323	0.6
573.33118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86517	0.4
57.03415	1.4
59.01351	1.8
60.24522	0.4
61.98836	1.9
61.99100	0.4
65.03965	0.6
67.42262	0.5
69.03433	0.5
69.18771	1.7
69.19195	2.0
71.01376	2.2
72.04546	0.5
73.02923	1.9
79.42538	0.5
85.02914	0.6
87.00854	0.8
89.02442	8.0
93.03435	0.9
95.04968	0.8
103.03978	0.7
107.04993	0.5
107.08649	1.6
111.05929	0.4
112.07694	0.4
114.05607	2.5
119.04984	1.7
119.08660	8.0
119.43652	0.4
121.06546	0.7
125.98056	0.4
130.08704	1.7
131.03525	2.5
133.02905	1.6
133.06561	1.8
134.03694	1.5
135.04532	2.0
145.02911	1.5
145.06621	2.0
145.10202	0.7
146.03680	1.3
147.04463	1.4
147.08096	0.6
149.04549	26.8
156.10304	3.2
158.03687	1.8
159.04514	20.9
159.08052	0.8
160.05289	3.5
161.06079	3.0
171.04427	0.7
172.05305	2.8
173.06062	16.0
174.06813	0.9
175.07619	1.1
177.01909	0.8
185.06024	3.3
186.06813	2.7
187.07567	1.7
189.09198	0.8
195.08165	0.6
196.05318	1.1
197.06004	2.3
198.06808	1.2
199.07631	3.5
200.08435	0.7
201.09178	2.1
203.03479	0.5
205.05132	0.4
209.06023	1.3
210.06754	1.3
211.04039	1.2
211.07629	5.0
212.08281	1.0
213.09238	2.3
221.09773	0.7
223.07697	2.0
224.08461	0.9
225.05688	0.5
225.09187	8.9
226.09816	0.7
227.10728	0.6
237.09192	2.0
238.10004	0.8
239.10764	6.1
240.11481	1.8
243.61232	0.4
251.10748	2.0
263.14340	0.7
265.12347	2.6
266.12750	0.4
279.13766	0.6
281.15488	4.0
289.12375	0.4
292.10925	0.5
307.13379	7.6
351.12219	0.6
370.20142	2.2
378.20584	0.8
380.18762	0.7
396.21783	34.8
397.22009	2.5
422.19843	5.3
423.20438	0.5
440.20743	100.0
441.21140	7.9
528.28149	0.6
572.25012	21.5
573.25562	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	572.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75110	0.9
58.02974	57.0
59.01380	11.1
61.98840	2.6
66.80028	0.8
67.02457	0.8
69.25909	6.7
71.01371	2.1
72.00888	0.8
79.06603	0.9
84.73002	0.8
85.02993	1.1
89.86959	0.9
91.07343	1.0
93.03458	1.1
96.96054	1.0
119.05070	1.0
134.03690	1.0
147.04523	2.9
162.43880	0.9
164.07155	35.0
165.07593	1.1
173.04556	1.2
191.05559	3.0
206.08212	100.0
207.08467	2.8
250.07198	2.2
327.12369	2.4
357.13434	1.8
364.85208	1.0
451.95859	1.0
475.48688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2884
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.75763	0.4
53.71349	0.4
55.16514	0.4
58.60465	0.4
61.98827	3.4
63.63911	0.4
69.91155	1.9
71.05888	0.3
76.20444	0.4
77.43342	0.4
78.95901	57.9
96.96957	12.0
98.19949	0.5
104.79470	0.4
134.98528	0.4
150.98055	0.5
152.99580	52.3
153.99889	0.9
165.30635	0.4
171.00600	1.0
213.28433	0.4
223.00134	2.0
240.68994	0.4
241.01167	27.3
242.01619	0.6
255.23274	66.2
256.23663	3.6
259.02203	0.8
315.04840	8.4
318.68854	0.4
333.05734	0.4
391.22623	4.4
436.36865	0.4
571.28845	100.0
572.29132	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	571.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60086	0.2
58.21022	0.2
59.01381	100.0
60.01715	0.4
61.23819	0.2
61.98821	1.0
62.99530	0.2
71.42003	0.4
78.95916	0.7
95.80425	0.2
136.01691	1.2
140.07027	0.2
151.04005	2.2
152.99605	0.8
156.68471	0.2
172.05357	0.4
253.21976	0.3
291.79422	0.2
326.11499	0.3
413.19785	2.1
425.19739	1.7
426.19699	0.2
432.46457	0.2
495.34821	0.3
571.27954	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71041	0.5
58.02973	50.2
59.01378	9.7
60.01717	0.5
61.98833	3.1
69.81658	1.3
69.82063	2.6
70.02965	0.7
71.01379	2.1
81.09002	0.5
85.02926	1.1
86.79632	0.5
89.02406	1.1
93.03465	0.9
96.96011	1.0
101.02441	1.6
113.02470	0.7
119.04946	0.7
120.01273	0.8
125.02403	1.2
128.03403	0.5
146.04568	0.6
147.04520	3.5
149.02498	0.5
150.03246	0.8
151.03963	0.6
161.02475	0.7
161.04471	0.8
164.07149	35.9
165.05585	1.2
165.07420	0.5
191.05603	2.7
206.08206	100.0
207.08560	4.3
232.60643	0.7
235.11871	1.6
250.07208	1.8
275.09195	0.5
327.12393	1.3
357.13382	1.0
375.14395	0.8
537.19794	0.9
573.17767	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	571.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
58.00580	2.5
59.01382	28.3
71.01374	21.6
71.53736	2.2
72.99295	1.5
73.02952	2.3
85.02940	5.6
87.00869	6.0
88.98796	2.5
89.02433	20.5
93.03444	3.4
96.96001	6.9
101.02448	14.4
105.03474	1.4
113.02473	8.1
119.03522	7.2
119.25722	1.3
121.02969	6.4
122.03703	8.2
131.03477	1.8
133.02908	1.8
136.01648	1.9
137.02417	5.4
145.02936	3.7
145.06161	2.2
149.01303	3.0
149.02443	35.8
149.04462	1.9
150.03227	83.6
151.03711	2.1
159.03020	1.2
161.02397	4.5
161.04530	5.7
162.03214	4.3
164.04779	10.7
165.05562	100.0
166.05904	2.9
173.04562	1.3
177.05559	4.0
179.05611	6.5
180.04279	6.5
189.85120	1.3
191.05588	5.6
195.06612	39.3
196.06917	2.1
202.79333	1.2
285.07755	1.8
286.08319	4.0
301.10788	11.2
325.10760	3.1
327.10812	13.9
343.11829	4.7
357.11853	3.5
361.12912	22.6
362.13080	2.8
370.37936	1.4
409.14966	2.6
523.18164	51.7
524.18408	5.1
571.11877	2.5
571.20355	37.5
572.20721	3.0
586.28247	1.4
598.08472	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97122	0.6
59.01376	22.6
61.98824	1.8
67.01895	1.0
69.21287	6.5
71.01385	11.6
72.99289	1.1
73.02957	1.4
79.95683	0.7
83.01384	0.9
85.02953	2.6
88.98821	1.1
89.02438	11.1
95.01385	0.9
96.96014	12.1
101.02455	6.5
101.88140	0.7
108.02171	1.8
109.02932	1.7
111.00887	1.1
113.02458	4.4
119.03481	4.5
123.00900	3.4
123.04491	1.5
124.01739	0.7
136.01656	8.2
143.05006	0.7
145.06627	1.5
146.03790	0.7
147.04622	0.7
151.04007	13.1
158.03741	0.9
159.04527	2.5
159.59261	0.6
160.05307	12.2
161.04544	0.9
165.05505	0.8
166.02672	0.7
168.32399	0.7
172.05270	0.9
173.06065	1.3
174.03214	1.2
175.07631	12.1
175.09062	1.0
179.05608	1.5
179.07104	0.7
186.03181	1.1
187.03999	7.9
188.04785	5.6
189.05598	1.4
191.05576	1.8
195.07849	0.6
201.05530	2.7
202.06313	1.7
203.07104	7.5
208.51524	0.6
249.05540	0.8
267.06448	0.9
278.05930	0.7
282.57474	0.7
295.06094	2.8
310.08469	6.3
311.08737	0.7
319.28937	0.7
325.10782	25.6
325.14664	1.3
326.10953	1.0
337.10684	0.9
355.11929	4.9
535.18195	100.0
536.18604	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	571.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.5
59.01383	8.7
60.99291	1.7
61.98828	8.2
63.02394	1.8
65.00318	1.6
65.29157	0.7
69.03455	1.2
71.01384	2.1
71.55154	1.2
81.03458	2.2
83.01405	4.3
85.02969	1.9
87.00890	1.0
88.98811	8.1
89.02460	0.8
92.05489	0.7
93.03453	3.2
95.01371	1.1
95.05023	2.0
95.07458	0.8
96.96014	1.1
97.02966	6.1
101.02438	2.1
105.03442	1.4
107.01364	1.6
107.05053	1.0
108.02189	1.3
109.02950	36.6
113.02441	1.0
114.37339	0.7
116.94930	0.7
117.03476	12.1
119.05048	1.8
121.02973	5.3
122.03718	1.0
123.04527	17.4
124.04890	0.9
125.02443	13.4
133.02966	1.2
134.88866	0.7
135.04535	4.6
137.02451	21.8
137.06104	1.4
139.04008	11.1
145.02951	1.5
146.03700	1.9
147.04535	3.0
148.32782	0.8
149.02435	28.4
150.03131	1.6
151.00383	1.9
151.02904	0.8
151.04002	17.3
159.04488	4.8
161.02435	20.2
161.04605	0.9
161.06021	4.2
162.03210	2.4
163.00375	9.8
163.03992	3.2
164.01158	2.4
165.01927	3.0
167.03510	1.6
169.06715	1.0
173.04581	1.5
173.06009	1.3
174.03220	1.7
175.03973	3.8
175.07654	2.0
176.01137	3.0
177.01962	3.9
178.02702	2.8
179.03508	6.5
183.04477	1.4
184.05075	0.8
185.02586	0.8
185.06157	1.0
187.04004	4.4
188.04756	3.8
191.03488	5.7
191.05624	2.8
196.05292	1.3
197.06082	3.4
198.94942	0.8
200.04758	0.9
201.05490	1.7
202.06456	1.1
203.03479	0.8
203.07118	10.8
205.04974	6.8
213.05573	8.3
215.07126	32.7
216.07538	1.5
221.08238	1.8
225.05513	2.5
227.07181	1.6
233.08015	0.8
239.07144	1.2
245.08180	11.1
247.06099	1.3
253.04997	1.6
255.06580	1.7
257.08209	11.2
269.04541	100.0
270.04868	4.0
281.04550	56.9
282.04889	2.7
283.06104	1.7
289.07178	56.1
290.07535	2.5
301.07169	90.0
302.07425	4.5
321.07803	1.0
349.16595	1.2
373.25998	1.0
409.09442	1.6
419.07712	10.9
527.13422	2.1
571.12463	32.5
572.12842	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	570.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.98830	100.0
71.01379	0.2
71.54955	0.3
75.97791	0.2
85.02972	0.2
93.03431	0.2
96.72569	0.2
96.96046	0.6
99.92607	0.4
99.99263	0.2
113.70281	0.2
115.92088	0.2
116.92853	1.6
119.05022	0.9
163.04033	0.6
173.04662	0.2
182.56546	0.2
191.05682	0.5
193.41505	0.2
291.77927	0.2
413.56781	0.2
571.11090	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
57.42196	0.9
59.01379	10.2
60.99277	1.3
61.98832	10.2
63.02385	2.1
65.00325	1.3
69.03458	1.1
71.01364	2.6
71.05022	1.1
71.55110	1.9
73.02964	1.0
74.94431	0.8
81.03445	3.4
83.01378	3.9
85.02932	1.5
88.98813	10.8
89.02447	2.2
93.03458	4.4
95.01382	1.8
95.05008	2.9
96.72942	0.9
96.95990	1.2
97.02944	6.9
98.49628	0.7
105.03445	1.9
106.32104	0.9
107.01383	2.1
107.05053	1.3
108.02164	1.6
109.02952	29.9
113.02428	1.0
117.03455	11.9
119.04993	1.6
121.02919	5.4
122.03693	1.3
123.04528	15.2
125.02447	10.9
127.84737	0.8
133.02931	1.6
135.00925	1.2
135.04489	4.1
137.02435	25.7
139.04021	11.4
146.03656	1.1
147.04483	2.9
149.02435	28.4
149.04358	1.1
150.03044	1.2
151.00360	1.4
151.03998	19.3
159.04539	6.6
161.02441	24.4
161.06062	5.1
162.03162	1.5
163.00372	10.4
163.03981	3.5
164.01065	2.2
165.01891	2.6
167.03438	1.1
173.04556	1.9
173.05986	1.7
174.03230	0.9
175.04015	3.5
175.07559	1.4
176.01111	3.5
177.01889	3.4
177.05524	1.6
178.02686	3.5
179.03473	8.2
182.03757	1.2
183.04448	1.5
185.02377	0.9
185.06026	1.5
187.03972	3.6
188.04756	2.0
191.03468	8.2
191.05536	2.6
192.04128	1.2
197.06030	2.7
201.05531	2.2
202.06308	1.7
203.03552	1.1
203.07141	8.4
205.05055	5.8
209.06175	0.9
213.05621	5.4
215.07112	34.1
216.07652	0.9
221.08147	2.6
224.04834	0.8
225.05592	1.2
227.03351	1.4
227.07034	1.9
245.08153	12.6
257.08185	12.5
259.50174	1.0
269.04529	100.0
270.04840	5.2
281.04544	59.8
282.04807	3.7
283.05884	1.3
289.07162	63.1
290.07468	3.0
301.07153	95.6
302.07532	4.7
323.05508	1.3
349.16617	1.9
373.25995	2.2
409.09399	1.6
419.07611	11.7
527.13672	2.2
571.12415	32.5
572.12701	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	570.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27723	0.2
58.05610	0.2
58.73342	0.2
59.01374	0.5
61.98828	100.0
69.33066	0.6
69.33499	0.8
97.06585	0.2
109.93227	0.2
182.71785	0.2
341.50034	0.2
403.98636	0.2
428.02573	0.2
517.09613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49815	0.1
59.01369	0.8
61.98829	100.0
71.08788	0.3
104.75732	0.2
110.08373	0.2
137.81641	0.1
157.49551	0.2
206.20645	0.2
227.48953	0.2
279.08447	0.2
321.54181	0.2
418.34540	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27443	0.3
59.01382	100.0
60.01706	0.5
61.98832	26.4
69.19710	2.2
69.20133	1.3
71.01406	1.0
73.02936	0.5
83.01384	0.5
83.23354	0.4
83.30385	0.3
85.02966	1.2
98.20612	0.6
101.02477	1.1
106.06639	2.3
113.02477	0.5
117.83738	0.3
129.01886	0.4
142.06612	0.9
163.08774	35.0
164.09131	0.8
167.03397	0.3
181.58063	0.4
191.05673	0.4
198.27548	0.4
306.16098	25.8
307.16522	1.5
376.16800	0.6
418.48532	0.4
450.20114	1.9
468.21368	11.2
469.21631	0.4
510.22491	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	569.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33886	1.8
59.01377	100.0
59.05531	1.7
61.98823	5.2
66.63405	1.8
71.54582	1.7
82.12473	1.7
123.00866	5.2
152.99582	2.7
187.03925	5.3
202.06375	3.1
203.07166	2.6
217.73547	1.6
220.07600	3.0
221.08270	4.6
289.14557	2.3
348.07898	2.0
456.87076	1.8
569.27246	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	569.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	73.3
60.78280	6.3
61.98823	27.8
70.07759	17.9
74.54469	6.4
78.99538	5.8
83.03642	5.8
87.73342	5.8
98.20514	10.7
113.88538	7.2
121.02946	12.8
123.00864	10.5
134.29333	8.0
136.01682	61.6
148.34384	6.0
151.04005	100.0
162.03191	7.3
163.04089	7.9
177.05502	21.9
178.35182	6.9
328.17792	6.2
356.12888	10.1
357.13226	39.2
388.52527	6.7
509.25391	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	94.8
61.98829	12.9
70.08039	14.1
78.95902	4.7
109.02973	3.0
115.92142	3.3
121.02945	11.2
121.58021	3.1
123.00880	10.0
123.90779	3.5
136.01669	68.9
138.03195	8.4
151.04019	100.0
161.02457	6.2
162.03206	10.6
163.03955	5.6
177.05573	21.8
189.05507	4.6
193.05011	15.9
203.85197	3.4
214.17551	3.7
229.79518	3.0
311.09311	4.0
326.11398	6.5
342.11288	4.2
356.12585	17.3
357.13428	76.9
395.15015	3.9
509.25345	68.9
510.26547	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	570.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.1
61.98832	100.0
69.41065	1.6
71.01391	0.3
73.02966	0.2
85.02963	1.0
96.55927	0.2
96.96034	0.4
98.20714	0.4
108.02199	0.3
108.21070	0.2
125.02479	0.3
129.01935	0.3
133.03009	0.3
153.01932	0.2
155.45671	0.2
191.05669	0.3
197.04707	0.2
198.40442	0.2
213.46519	0.2
315.01425	0.3
330.03922	0.5
345.05997	1.1
454.21558	0.2
570.24634	0.2
571.27454	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
76.39670	0.2
96.14796	0.2
105.84107	0.2
109.00156	0.2
156.81612	0.2
166.94699	0.2
192.24460	0.3
197.60622	0.2
507.23911	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16202	0.4
55.01869	0.7
57.03437	0.9
58.00585	1.5
59.01382	40.2
61.98833	1.7
65.47275	0.4
67.01899	0.8
69.26366	4.0
71.01385	19.5
72.20710	0.4
72.99306	1.6
73.02940	0.9
83.01376	2.0
85.02955	7.7
87.81211	0.4
89.02451	17.0
95.01398	1.6
101.02449	11.0
108.02164	0.9
113.02444	5.9
119.03513	5.3
121.02931	0.8
123.04480	0.5
125.02427	0.5
129.01933	1.3
135.04524	1.5
137.02487	0.5
143.03502	0.5
145.02924	0.5
149.02415	1.0
159.04567	0.7
160.05292	0.5
161.04573	0.4
163.04039	0.4
167.08894	0.4
171.04477	0.8
173.00845	0.7
179.05623	1.2
185.36508	0.4
187.02495	0.6
187.04012	4.6
188.03110	0.9
188.04805	15.5
189.05490	1.3
193.05136	0.5
196.82149	0.4
203.07149	24.4
204.07535	1.1
217.05125	0.7
223.06100	1.1
338.07953	1.5
353.10254	3.0
371.11383	1.7
423.09735	0.6
513.66876	0.4
533.16669	100.0
534.17047	9.5
569.13190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.1
58.00584	3.9
59.01382	100.0
59.68215	1.6
61.98819	4.0
67.01893	3.8
69.03459	3.7
71.01383	18.2
72.99302	7.4
73.02946	5.8
81.03445	10.6
83.01401	2.8
83.05006	5.7
85.02952	44.9
87.00859	4.2
89.02456	8.7
93.03464	10.4
93.70690	1.5
95.01392	25.1
96.95987	4.0
99.00886	3.7
99.04510	8.7
101.02422	8.3
103.04012	6.5
104.03551	1.8
108.02185	1.6
109.02959	16.0
111.00874	10.7
111.04552	2.7
112.98849	2.1
113.02457	16.2
115.00332	2.3
115.87963	1.8
119.03481	3.3
121.03006	1.8
123.04511	2.2
125.02484	4.4
127.04015	28.1
135.74741	1.6
137.02437	8.4
139.00369	23.5
139.03973	2.3
141.05586	2.7
145.01436	3.3
145.05045	12.9
149.02380	2.6
151.04053	2.1
153.01926	2.9
155.03505	16.1
157.01448	3.9
163.04083	2.3
163.06033	1.8
167.03534	1.9
169.05070	5.4
171.02972	3.9
175.02490	3.1
181.01430	3.2
191.05612	10.9
192.06038	2.9
199.02478	49.3
241.03601	2.1
257.06674	2.3
285.06146	6.8
301.05417	3.0
307.08243	4.6
345.08179	14.6
349.12994	2.8
363.09192	3.2
387.09348	22.3
405.10330	12.7
423.11395	3.0
465.12399	7.6
469.13474	2.4
513.12042	1.8
551.16132	5.7
569.18658	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
61.98830	100.0
62.15085	0.1
68.34704	0.2
69.84780	0.7
69.85169	0.3
71.01385	0.2
85.02990	0.2
87.00896	0.4
89.02469	0.2
93.03466	0.2
96.96024	0.3
97.03012	0.2
101.02475	0.2
109.03020	0.2
112.94527	0.1
113.02477	0.2
121.18840	0.2
122.02503	0.2
125.02444	0.4
137.02565	0.2
147.12677	0.2
166.02647	0.2
173.04579	0.3
181.05115	0.6
183.09944	0.2
191.05585	1.9
216.04204	0.1
401.72638	0.2
506.87958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91053	0.7
59.01382	34.8
61.98832	2.4
71.54573	1.2
78.95905	19.1
87.86391	0.8
93.82239	0.8
129.13551	0.8
152.99582	3.3
168.04265	2.5
224.06892	6.6
242.08046	1.5
246.78006	0.7
269.24860	100.0
270.25232	5.3
271.10995	0.8
489.25876	0.8
494.32544	74.3
495.32904	5.1
540.38269	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87995	9.8
59.01379	100.0
61.98827	46.9
65.09789	10.7
70.71663	27.8
71.01383	40.9
73.02943	13.3
85.02990	23.4
87.00887	15.8
89.02445	56.9
90.64599	9.8
93.03448	14.8
96.95988	53.2
101.02446	18.1
113.02446	17.5
119.03528	17.7
119.05013	17.2
131.25005	10.5
131.76927	9.0
135.04530	11.4
136.01642	16.6
137.02426	20.4
137.06059	16.3
151.04018	26.3
157.39409	8.9
161.02489	14.8
161.06039	14.2
168.06757	9.4
179.03436	9.4
179.05602	25.4
191.05608	39.7
229.94733	9.3
248.13139	9.3
289.16525	13.3
290.66876	9.9
371.11340	13.4
471.11386	14.4
493.07611	12.5
569.13940	24.7
576.15100	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	567.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49603	0.8
59.01380	100.0
61.98825	2.8
72.96629	0.8
75.92960	0.8
77.61681	0.9
215.13820	0.9
267.23209	2.3
267.68942	0.9
268.23450	0.9
338.53989	1.0
454.94803	1.0
555.42163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60783	0.8
59.01379	100.0
60.01733	0.9
61.98826	1.2
70.80373	0.9
71.39234	0.8
73.25855	0.7
96.97974	0.8
114.05182	0.7
164.34634	0.8
280.98309	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
57.03440	2.8
59.01377	69.2
59.76131	0.7
61.98828	8.6
64.66138	0.8
65.67616	0.8
69.79967	0.9
70.48758	0.9
71.01381	25.0
71.55195	1.3
73.02946	10.2
73.13329	0.8
83.01376	4.2
85.02957	13.0
87.00874	1.5
89.02439	7.0
95.01392	1.9
96.95985	1.1
97.02956	1.0
99.00894	4.4
101.02443	22.1
102.98643	1.0
111.00886	1.7
113.02457	10.7
115.92068	4.6
116.92874	2.7
117.11034	0.8
119.03531	1.9
125.02403	0.9
133.02934	1.4
135.04536	1.1
137.02431	1.2
143.03497	2.9
149.93623	0.8
155.48999	0.9
159.02942	1.8
161.04538	9.0
170.09270	0.9
171.13895	1.1
173.04509	1.4
179.17204	0.9
185.46324	0.9
191.05624	1.7
191.59897	0.9
229.08606	1.4
284.03253	1.2
299.05542	1.4
299.25946	1.4
327.05093	9.7
345.30042	8.8
357.06113	1.5
410.15958	1.0
499.87451	1.0
507.35336	100.0
508.35785	8.7
531.15015	6.3
531.28015	1.2
532.15704	1.4
567.25378	3.4
567.33661	2.9
585.51843	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46021	0.6
57.03438	1.1
58.00592	0.9
59.01378	50.8
60.01711	4.5
61.01809	1.0
61.98838	4.6
63.19717	0.7
69.38532	3.7
69.38941	1.5
71.01381	15.3
72.01714	1.3
72.99317	6.6
73.02950	8.9
75.00846	0.8
83.01395	3.0
84.95075	0.6
85.02951	7.2
87.00887	2.2
89.02437	4.3
93.03449	3.3
93.28844	0.7
95.01371	1.2
95.05030	4.0
96.01712	0.7
96.95993	1.5
97.02966	1.2
97.52644	0.8
98.11848	0.7
99.00874	1.8
101.02439	10.4
105.03503	1.0
109.02946	0.8
113.02451	7.9
114.02795	1.9
115.92091	4.9
116.92847	1.4
119.03501	1.6
121.02958	100.0
122.03291	2.4
123.03628	1.7
123.04526	34.3
125.02450	2.3
131.03497	1.0
134.03716	1.2
135.04570	0.9
137.02428	1.6
139.70413	0.7
143.03490	1.5
143.75395	0.7
149.02451	2.6
149.04556	0.7
152.01234	0.7
161.04599	2.6
163.04012	1.3
167.03526	1.6
175.03984	1.9
191.03506	3.3
191.05635	2.2
193.05054	1.0
239.14473	5.5
245.04402	1.0
259.17102	1.7
284.03162	1.0
285.04044	2.8
311.05350	0.9
345.17316	1.2
361.29541	2.2
362.29797	4.4
363.30051	1.6
387.97495	0.9
481.21078	1.8
505.20844	10.1
505.33649	3.1
506.34055	23.5
507.34366	15.2
523.21826	41.7
524.22449	3.8
524.35101	5.9
525.35486	3.6
566.36212	0.9
567.11304	2.4
567.19879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12834	1.1
59.01380	100.0
61.98820	2.0
65.87280	1.1
69.27184	9.3
69.27597	2.3
82.08447	1.3
83.08598	1.1
125.57872	1.1
138.39058	1.4
199.84656	1.2
267.23367	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	567.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17089	0.6
59.01377	100.0
61.98836	1.3
65.20376	0.6
69.03463	1.1
97.02942	0.8
98.20764	1.4
119.05006	0.8
121.02988	1.0
123.30441	0.6
134.36903	0.6
136.01643	1.1
143.05029	1.6
147.04437	0.9
151.04012	4.1
152.99574	1.2
159.93741	0.7
161.06128	2.7
171.04546	2.4
173.06285	1.5
174.03302	0.7
177.01955	1.8
189.05557	1.9
191.05669	1.0
191.07170	3.4
201.05574	1.9
202.02702	1.7
217.05087	2.5
219.06607	14.8
482.26199	1.2
567.28485	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45785	1.1
55.01878	2.7
57.03445	2.7
59.01384	10.9
61.98845	1.2
62.69666	1.1
67.01897	1.6
68.98227	1.2
68.99785	1.2
69.56040	4.4
69.56449	2.4
71.01392	7.2
73.02947	1.4
78.84232	1.1
81.03458	12.7
83.01380	13.4
85.02950	19.0
89.02427	2.3
91.02054	1.2
93.03453	3.6
95.01415	2.1
95.05025	11.4
96.96027	2.0
97.02947	4.0
99.04507	3.1
101.02466	2.8
103.87461	1.2
105.92682	1.1
107.05022	3.2
108.02225	1.8
109.02950	8.8
109.06557	1.4
111.00893	11.5
111.04512	2.1
113.02460	2.5
119.05031	1.2
121.02962	4.0
121.06612	1.2
122.03758	2.5
123.04526	29.1
125.02454	22.9
129.01941	3.7
133.01454	1.3
134.03761	2.2
135.04526	10.3
137.02449	6.8
137.06071	10.9
139.03996	6.1
145.02962	1.7
147.04590	1.4
149.02400	5.4
149.06076	3.4
150.03246	6.1
151.00348	1.2
151.04019	11.9
153.01927	15.4
155.03561	1.4
161.02432	2.4
161.06076	1.5
163.00375	1.6
163.04031	3.6
165.01920	4.4
165.05563	15.8
167.03497	78.5
168.03804	1.5
175.03955	2.9
177.05589	4.7
179.03503	16.2
181.05074	3.6
191.01984	1.6
191.03503	4.6
193.05019	5.8
194.05621	1.3
195.03000	7.4
195.06621	7.5
197.04526	4.3
205.04982	2.0
205.44569	1.2
206.02135	3.2
207.01033	1.9
207.02980	32.8
208.03296	1.4
209.04543	96.5
210.04729	3.3
217.05034	1.3
219.02986	5.7
221.04562	8.4
223.06145	2.6
233.04523	2.3
237.04028	100.0
238.04411	4.4
239.05606	44.8
240.05878	1.6
249.04041	17.8
251.05600	13.7
261.04193	1.7
263.05630	3.2
279.05103	54.4
280.05362	2.5
281.06598	5.5
281.48676	1.1
291.05096	3.7
293.06616	1.4
309.02759	2.3
309.06146	28.1
311.07690	5.9
329.08826	18.2
369.08246	4.5
381.08197	5.2
385.34393	1.4
399.09348	37.8
400.09839	1.4
411.07016	1.3
413.81345	1.3
441.08057	1.9
447.09253	24.3
448.09372	2.4
468.33176	1.2
549.12610	2.6
567.13397	19.8
568.13678	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	567.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.9
58.00570	1.1
59.01380	43.5
59.75819	0.8
60.01706	2.1
60.77191	0.8
61.98829	9.2
63.81922	0.7
67.01861	0.7
69.29893	6.4
71.01379	16.6
72.99308	8.2
73.02950	9.1
75.00887	1.0
79.16057	0.7
83.01382	2.8
83.01840	0.8
85.02941	6.5
86.00060	0.7
86.03281	1.1
87.00863	2.1
89.02448	4.6
90.42361	0.7
93.03450	2.2
95.05033	3.5
96.96002	1.8
97.02930	1.1
99.00904	1.0
101.02444	10.0
105.03458	1.0
113.01765	1.0
113.02443	6.4
115.92069	8.1
116.92851	3.1
119.03522	1.5
119.05077	0.7
121.02958	100.0
122.03289	1.3
123.04523	35.4
124.04878	0.9
125.02408	1.8
135.04546	1.1
137.02478	1.5
149.02426	2.3
149.04552	1.1
157.82104	0.8
160.01563	1.0
161.04526	1.7
163.04016	1.1
166.02431	0.8
167.03586	1.1
173.04474	1.4
175.03996	2.4
191.03519	5.4
191.05586	2.9
193.05035	1.7
231.12206	0.7
239.14378	5.0
245.04575	1.3
246.80504	0.8
259.17084	1.4
285.04221	1.5
311.05615	1.3
316.96481	0.9
345.17007	1.1
359.27762	1.0
361.29544	1.1
362.29965	1.9
363.30295	0.9
425.10727	1.1
481.20532	1.4
505.20688	8.3
505.33588	1.8
506.21732	1.0
506.34103	15.6
507.34436	8.4
523.21826	42.1
524.22058	3.8
524.35303	3.4
525.35590	2.3
567.11060	1.9
567.27551	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72081	1.6
56.24289	1.6
57.83752	1.7
59.01382	20.3
61.98832	100.0
66.00122	1.6
71.01405	7.7
71.05027	1.6
73.02942	2.8
77.50742	1.6
78.04645	1.6
78.78023	1.6
83.01394	2.3
85.02948	7.8
86.48753	1.4
88.98799	1.6
89.02431	1.9
93.03520	1.9
96.96003	5.2
101.02422	5.2
103.63129	1.8
108.02155	1.9
113.02433	3.1
121.02917	2.7
125.02412	1.8
137.02414	2.3
137.09698	4.8
147.08125	2.4
169.98978	1.6
170.02292	1.8
178.06335	2.3
179.03415	3.2
185.06134	1.5
191.07231	1.7
224.60582	1.7
230.04648	2.5
239.67621	1.7
255.17484	5.0
256.17856	5.6
257.18079	2.3
275.20184	7.1
287.16626	3.8
288.17023	2.4
299.16489	6.4
300.16705	5.1
301.17291	4.3
317.17468	3.9
318.17719	4.3
319.19067	20.6
369.09616	3.3
504.08154	1.7
507.35336	19.8
523.18250	2.3
567.24524	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	566.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74585	0.3
59.01379	67.3
59.42363	0.3
61.98829	100.0
65.86049	0.4
69.22906	3.6
71.01379	7.8
73.02940	2.0
82.55693	0.3
83.01379	1.2
85.02964	3.2
85.65312	0.3
87.00880	0.5
87.04528	0.5
89.02449	3.0
95.01346	0.6
99.00879	0.8
101.02441	5.3
101.06075	0.9
107.39857	0.4
113.02449	3.2
118.71648	0.4
119.03454	1.4
142.28056	0.4
143.03423	0.5
152.01099	0.4
161.04546	2.3
179.05469	0.6
191.05573	0.5
399.23834	14.0
400.23837	0.8
417.24936	12.4
418.24713	0.8
459.26035	6.7
460.25778	0.9
483.41629	0.4
505.32904	0.5
506.34174	1.8
566.18805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77995	1.5
59.01377	9.7
61.98827	4.5
67.47996	1.4
69.19327	5.1
69.19740	11.1
71.01385	11.0
72.99331	2.9
73.02932	2.2
75.00864	6.0
77.77441	1.8
78.91893	4.5
83.01391	6.9
85.02957	5.9
87.00874	18.3
89.02441	4.0
93.03473	2.5
97.02876	1.7
99.00895	2.6
101.02407	2.5
109.02929	14.2
111.00899	13.8
113.02433	6.0
113.99564	5.0
115.00378	47.4
119.05051	1.8
121.02908	1.7
122.03748	2.6
123.04505	4.2
125.02402	3.1
133.02991	2.9
135.04521	11.6
137.02365	2.9
137.40855	1.5
139.00369	19.2
144.04529	5.5
145.02856	2.2
147.59323	1.5
149.02414	7.2
149.06055	5.1
150.03186	1.6
151.03976	2.2
155.03510	2.4
156.00661	14.4
157.01407	30.1
161.02405	7.7
163.03960	5.6
173.02472	1.8
174.01720	27.4
174.03172	4.2
175.02483	51.7
175.03946	4.1
177.01909	4.2
179.05627	1.8
187.04085	2.9
189.05455	3.3
190.02544	2.1
190.55888	1.7
191.03702	11.1
191.05373	10.4
191.19484	1.6
193.05051	45.0
194.05443	1.5
195.06656	2.2
201.01942	3.9
203.03520	3.3
205.01279	4.7
205.05023	5.3
206.02164	6.6
206.05872	1.8
207.06650	18.6
215.03474	2.4
219.02867	2.1
219.06538	6.0
223.06120	4.3
231.06528	2.3
233.04562	21.8
234.05273	16.6
237.04019	2.1
241.05103	1.8
247.06055	3.7
251.05592	7.0
265.94052	1.6
275.05618	7.3
277.07147	2.0
279.05133	2.8
279.08728	3.6
289.07205	10.2
307.08228	100.0
308.08505	4.4
309.06183	6.2
327.88095	2.1
351.07208	2.2
355.10339	3.4
367.06284	1.8
413.10950	4.0
441.14017	2.5
451.12427	6.7
469.13504	66.9
470.13843	3.6
471.11475	31.8
481.09821	2.1
495.11487	10.8
506.40799	1.9
513.12537	51.4
514.12842	3.6
531.13757	4.9
567.11285	5.1
567.26093	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	566.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57578	0.3
57.03441	0.4
59.01379	57.3
60.01722	0.7
61.98829	100.0
69.18748	2.5
69.19169	1.0
71.01384	5.4
73.02943	1.6
81.64191	0.3
83.01389	0.8
85.02955	2.7
87.04482	0.9
88.98795	0.4
89.02450	2.1
95.01393	0.6
96.95985	0.6
99.00893	0.6
101.02433	2.5
106.54683	0.3
113.02452	4.8
115.92065	0.7
116.92823	0.4
121.81550	0.4
124.90044	0.4
125.02383	0.7
135.04411	0.4
160.01541	0.6
161.04550	1.8
173.04529	0.4
175.03906	0.5
191.05501	1.2
344.45102	0.5
362.29153	0.4
399.23865	18.7
400.23535	1.6
417.24915	3.4
459.25970	7.3
460.25305	0.7
506.33063	1.6
567.27209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44639	0.6
59.01378	59.4
60.01717	1.2
61.98828	100.0
69.51103	2.9
71.01385	6.8
73.02946	2.1
73.07684	0.6
74.74963	0.5
75.00871	0.7
83.01401	1.2
85.02948	3.1
87.00901	0.7
88.58364	0.6
89.02467	2.9
93.03468	1.2
96.96023	1.1
101.02457	3.3
101.06088	0.9
113.02480	2.4
115.92052	1.7
119.03522	0.9
121.02964	0.9
129.71373	0.5
135.04568	1.0
138.91068	0.6
143.03488	0.8
149.02509	0.9
161.04558	1.6
173.04546	0.8
173.92801	0.5
191.03552	0.6
191.05658	1.5
200.29573	0.6
200.61951	0.5
234.98878	0.6
241.22028	0.5
362.30124	1.0
399.23834	9.5
417.24890	4.9
449.14603	0.6
459.25916	5.7
505.34021	0.8
506.34262	2.6
524.35260	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.7
59.01382	47.6
61.98829	10.5
65.48493	1.3
70.55721	1.1
71.01386	7.8
73.02953	9.8
78.95908	100.0
81.03478	1.2
83.01403	2.9
85.02955	11.5
89.02440	2.5
95.01386	1.6
96.96012	3.1
96.96964	28.9
101.02447	9.6
113.02466	4.2
116.92860	1.8
129.01990	3.5
130.59943	1.3
133.51346	1.1
134.03757	1.2
146.07353	8.1
147.08160	8.8
149.02473	1.5
159.08095	1.4
161.02475	1.5
161.04607	2.7
164.98402	1.3
167.03508	1.4
178.06345	12.0
179.03563	3.4
194.05879	2.5
204.62163	1.3
209.08221	11.3
255.17540	47.7
255.56522	1.2
256.18030	2.7
299.16544	37.5
300.16953	2.8
352.54825	1.2
359.43579	1.4
403.22543	15.5
471.49237	1.2
505.34006	5.3
527.67273	1.2
565.27997	44.5
566.28711	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	565.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03446	3.3
58.00592	1.0
59.01378	92.8
60.01700	0.6
61.98829	7.0
67.01885	0.3
67.62995	0.2
69.03446	0.8
69.32883	0.9
69.33282	0.5
71.01381	28.5
71.05011	0.2
72.01727	0.4
72.99306	1.2
73.02946	6.1
75.00873	0.5
81.03468	0.2
82.95412	0.3
83.01385	3.7
84.02167	0.2
85.02949	15.5
86.00095	0.7
86.03273	0.2
87.00880	2.2
87.04522	1.2
89.02444	9.3
93.03469	1.1
95.01389	4.2
96.96011	3.4
97.02953	1.3
97.06618	0.3
99.00875	2.5
101.02440	12.3
108.02165	0.6
109.02942	0.4
111.00877	1.0
111.08169	0.3
112.01672	0.7
113.02448	19.2
114.02801	0.4
115.04015	0.3
116.92858	0.6
119.03499	2.9
121.02950	0.3
123.00852	0.2
123.04530	0.3
123.08155	0.5
124.01648	0.8
125.02434	2.2
127.11251	0.2
129.01936	1.0
131.03479	0.5
134.03717	0.5
135.04521	1.9
136.01689	0.9
137.02391	0.3
137.09758	0.3
141.09187	0.4
142.02791	0.2
143.03503	2.8
143.10748	0.4
146.03714	0.2
149.04549	0.5
151.04002	2.3
152.01117	0.3
152.07228	0.2
153.01898	0.4
153.09210	0.3
155.10719	0.4
157.12308	0.4
159.02962	0.8
159.04419	0.3
160.01633	0.2
160.05273	0.3
161.04556	4.4
161.05930	0.4
165.01903	0.4
167.03456	0.5
169.12335	0.6
171.13907	0.7
172.05287	0.4
173.04520	0.9
173.05986	0.4
173.11874	0.2
174.32056	0.2
175.03966	0.4
179.03506	1.1
179.05588	0.7
179.07069	0.3
180.04240	0.7
187.07608	0.3
187.13414	1.2
190.02562	0.2
191.01958	0.3
191.05592	2.4
192.05948	0.6
193.06221	0.3
195.06532	0.4
197.15451	0.3
201.14905	1.1
203.03517	0.2
215.16464	0.6
223.43512	0.2
233.08340	0.2
243.19627	0.3
255.05031	0.2
257.21124	0.5
271.22601	0.3
309.07739	0.2
315.25330	0.8
325.07144	0.7
327.08432	0.4
337.07190	0.4
340.09503	0.7
343.28577	1.5
353.13831	0.4
355.07593	0.1
355.11792	3.1
356.12271	0.5
357.13370	0.7
359.28168	1.2
361.29559	13.9
362.30127	0.9
367.11957	1.1
373.15848	0.3
385.12695	1.2
399.23709	1.3
403.30679	0.5
431.30243	0.3
457.31708	0.7
459.26178	0.4
469.31390	0.6
473.27689	0.3
475.32697	0.8
487.32233	0.3
505.33792	100.0
506.34131	8.3
523.34833	25.1
524.35144	2.1
535.19769	0.4
547.21826	0.8
565.19342	2.0
565.36005	5.3
566.36597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.9
61.98818	7.3
62.50199	1.6
71.01373	4.4
73.02942	2.2
77.97393	1.5
83.01392	2.0
85.02943	6.4
86.10599	1.5
89.02469	2.2
92.52953	2.0
93.03426	1.8
96.96024	2.2
98.19875	5.6
132.05794	5.5
133.91881	1.6
134.03670	2.3
137.09705	7.0
145.06583	2.8
146.07381	18.8
147.08157	16.9
151.03966	2.0
159.08115	4.3
164.04771	6.0
178.06360	17.6
201.25426	1.5
230.09247	2.0
241.10722	1.7
243.17502	22.3
244.17964	1.7
255.17567	100.0
256.17853	5.9
269.15424	5.3
287.16547	47.6
288.16794	3.0
299.16528	82.5
300.16852	6.0
317.17560	50.6
318.17953	4.2
329.17447	2.3
505.33731	3.6
577.19421	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	565.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26273	2.0
57.03455	2.4
59.01384	100.0
61.98837	12.5
69.03425	2.4
69.17502	21.9
71.01392	20.0
73.02958	7.8
76.22295	2.1
78.85838	1.8
83.01381	2.8
85.02960	16.5
89.02444	3.7
93.03426	2.6
95.01370	2.7
96.96027	5.5
98.20608	3.7
99.00906	2.3
101.02480	9.7
109.02937	2.8
111.00919	2.9
113.02459	6.4
116.92845	2.9
125.02447	2.0
129.01976	3.5
132.05772	10.3
135.04539	2.6
138.03192	4.7
149.02454	3.5
153.05560	6.1
161.04572	2.7
164.04820	10.5
172.98239	2.2
179.03474	3.1
193.08661	2.7
194.05855	4.0
209.08192	12.2
220.37584	2.1
273.18597	64.6
274.18860	3.6
280.62335	2.2
291.02423	2.1
293.74142	2.3
353.12811	2.7
417.22882	22.4
435.23840	50.2
461.21506	2.7
477.24988	39.8
478.24936	2.9
479.22238	7.1
505.34216	2.8
519.23260	2.4
521.23846	55.5
522.23724	3.3
565.14008	3.8
565.22235	20.4
565.29315	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	565.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81633	0.6
53.84345	0.5
54.75003	0.5
55.01874	1.7
57.03447	4.1
57.86595	0.6
58.00592	1.2
59.01378	100.0
60.01704	1.4
61.98830	12.6
66.39207	0.5
68.03356	0.7
69.03465	1.9
71.01380	27.0
71.05024	1.3
71.23600	1.5
72.99309	1.4
73.02946	8.1
81.03451	1.6
83.01383	5.2
83.05009	0.8
85.02953	17.8
86.00123	0.8
87.00872	5.5
87.04505	1.5
89.02446	12.0
90.14487	0.6
93.03457	5.4
95.01384	5.0
96.96000	5.8
97.02955	2.0
99.00900	2.5
101.02434	20.1
108.02173	38.9
109.02951	26.7
109.03699	1.2
111.00896	2.0
113.02443	16.4
113.92687	0.7
119.03491	6.5
119.04939	0.6
121.02975	3.1
122.71732	0.7
123.00849	1.5
123.04507	1.2
124.01627	0.6
125.02432	3.1
127.11288	0.8
129.01973	1.4
134.03743	0.8
135.00874	0.8
135.04536	2.2
136.01625	0.8
137.02432	1.1
142.02779	0.7
143.03500	3.0
145.03020	0.6
149.04533	1.1
149.06107	0.7
149.09734	0.7
151.04018	1.5
151.21368	0.7
152.01146	52.1
153.01935	22.7
153.05507	0.8
153.09248	0.9
161.02490	0.9
161.04561	8.5
161.09709	2.1
161.13390	0.9
163.04005	1.1
165.01897	1.9
166.02312	0.7
167.03574	0.9
171.13921	1.7
173.00967	0.7
173.04543	2.4
175.03865	0.7
177.01903	0.9
179.05647	3.2
187.03949	1.2
187.11246	1.4
189.09218	1.1
191.05602	10.0
192.05948	2.3
193.06171	1.1
201.14978	1.2
205.12355	1.1
231.16040	1.4
315.07205	16.0
318.73346	0.6
322.04416	0.6
343.28271	1.4
355.14938	1.0
359.27899	2.2
361.29565	17.7
372.15469	1.5
373.15671	1.7
385.11856	1.0
403.12674	1.9
403.30505	2.1
424.84250	0.7
449.08926	0.6
459.98248	0.7
463.38580	0.6
487.32697	1.0
503.11545	0.6
503.18878	1.6
504.32687	1.5
505.17575	1.4
505.33795	66.9
506.34195	1.6
521.20337	4.3
521.27618	0.9
523.34851	16.8
537.82349	0.7
547.21606	2.9
565.19159	86.0
565.35443	2.5
566.19330	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	565.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70008	0.7
55.01880	0.9
57.03445	2.8
59.01379	21.8
60.01722	0.9
61.03451	0.9
61.98835	10.6
67.56097	0.8
69.28528	7.5
71.01381	10.6
73.02948	2.8
75.00870	1.1
81.03493	1.3
83.01415	1.8
83.05025	0.9
84.02178	1.1
85.02956	21.6
86.03313	1.1
87.00881	3.1
87.04524	1.1
88.98809	3.0
89.02457	9.3
93.03482	4.4
95.01402	2.5
96.96027	2.4
96.99293	1.0
98.20731	0.9
99.00903	0.9
99.04515	1.1
101.02452	6.7
108.02151	1.8
109.02942	2.9
110.00095	1.3
111.00880	10.2
113.02444	4.0
116.92870	2.7
119.03509	3.3
119.05035	1.2
121.02991	1.6
122.03786	0.9
123.00889	12.4
123.04527	6.9
124.01662	1.2
125.02454	21.9
129.01949	6.7
133.02951	2.4
134.03766	3.2
135.04539	8.4
136.05334	1.4
137.02458	7.5
137.06128	1.3
138.03204	1.3
139.00386	20.5
140.01158	6.8
141.01962	1.5
143.03522	1.0
147.03029	2.2
147.04515	1.6
149.02437	3.9
149.04562	0.8
149.06097	1.1
151.00369	3.8
151.04013	2.9
152.01147	12.3
153.01938	61.0
154.02711	4.3
159.04530	1.7
160.01808	1.1
161.02446	6.5
161.04636	1.5
163.04025	2.9
164.04849	1.7
165.01929	3.7
165.05603	1.4
166.02708	5.8
167.03465	6.5
173.00916	2.4
173.04631	1.0
175.04060	2.7
176.04771	1.2
177.01991	1.6
177.05637	1.4
178.02690	1.7
178.99944	0.9
179.02032	1.2
179.03510	7.9
179.05620	1.5
179.07109	1.0
187.04042	2.5
189.01971	1.4
190.02760	1.3
191.01962	2.6
191.03448	1.7
191.05588	1.8
192.04317	2.3
193.01418	7.7
193.05057	3.2
194.02197	17.8
195.02917	1.2
197.04517	0.9
197.08118	0.8
202.06474	0.8
203.03436	8.1
203.07207	0.9
204.04251	7.1
205.05000	1.6
206.02100	1.0
207.03038	1.5
209.04556	1.6
218.05989	1.4
219.02986	1.9
219.06580	4.7
220.06746	0.9
221.04572	3.6
222.05255	3.8
223.06184	1.0
233.04483	1.3
234.08824	1.2
237.07780	3.0
251.05586	2.8
261.07678	0.8
281.06656	5.5
287.05615	1.0
289.07272	1.2
299.01938	0.8
299.09366	1.0
300.02597	1.9
301.02765	1.8
302.03421	2.3
302.08047	1.7
315.04926	1.9
316.05374	2.4
317.05643	2.4
322.04657	1.0
323.74460	0.9
337.07401	3.4
339.08887	1.3
341.08981	2.8
352.09570	3.0
357.09927	1.4
358.10526	12.6
359.11203	1.7
367.07297	0.8
367.11832	15.2
368.12335	1.0
370.10538	3.2
373.12775	6.8
385.12823	4.0
387.10706	5.8
388.07861	1.4
388.11621	97.1
389.11853	6.5
403.13959	100.0
404.14310	6.6
405.12085	1.5
427.14087	4.7
445.14996	1.5
449.10883	2.0
457.14703	0.9
521.11963	2.3
550.16516	1.8
565.19049	35.1
566.19653	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25433	0.6
57.03463	2.8
58.00599	0.9
59.01381	37.5
61.98832	6.9
67.01859	0.6
69.03436	0.6
69.26642	4.0
69.27045	1.1
71.01380	12.7
73.02943	4.8
81.03433	1.6
83.01371	2.0
83.05029	1.2
85.02946	8.2
87.00874	2.4
87.04493	0.5
88.98832	0.7
89.02442	5.2
91.00448	0.6
93.03448	5.2
95.01395	3.9
95.05004	0.7
96.96014	4.5
97.02905	0.9
99.00872	1.5
101.02439	8.1
107.05032	0.9
108.02174	55.2
109.02959	31.5
111.00862	0.8
113.02451	6.9
116.92867	2.7
119.03477	2.3
119.05023	1.0
121.02930	2.3
121.19238	0.6
123.00897	1.7
123.04513	1.7
125.02438	1.0
129.01889	0.8
131.03555	0.6
134.03719	0.6
135.04480	1.7
137.02420	1.2
143.03519	1.5
151.03961	2.1
152.01152	61.8
153.01938	23.8
154.02310	0.8
161.04529	2.4
161.09698	2.1
163.03973	1.8
163.11191	1.4
165.01881	1.4
165.05617	0.8
173.04561	1.9
177.54593	0.6
179.05592	1.3
179.10730	1.2
181.05037	0.7
187.11258	2.0
189.09146	1.7
191.05621	4.6
195.03032	0.7
201.14856	0.7
205.12292	2.3
207.10233	0.9
249.11351	0.8
315.07220	21.2
316.07520	0.9
329.23148	1.1
361.29443	5.1
403.12875	1.0
449.14468	1.2
461.30960	2.4
461.50516	0.6
503.19241	2.9
504.32281	1.0
505.17471	3.9
505.33755	15.6
506.33963	0.8
521.20404	4.9
523.35004	5.6
547.18384	1.7
565.19189	100.0
566.19537	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	565.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80047	0.4
55.01873	1.4
57.03440	4.0
58.00583	0.8
59.01376	65.5
60.01716	0.6
61.98823	5.2
65.21889	0.4
69.03458	1.2
69.21867	4.0
71.01382	17.1
72.99313	0.7
73.02938	5.4
81.03468	1.4
83.01390	2.9
85.02946	13.1
86.00121	0.5
86.03277	0.6
87.00871	4.1
87.04514	0.7
89.02442	7.7
93.03431	2.5
95.01385	3.7
96.96010	2.3
97.02959	1.0
97.06561	0.5
99.00876	2.1
101.02443	13.1
106.22443	0.4
107.05035	1.4
108.02170	53.5
109.02953	32.6
110.03306	0.6
111.00880	1.3
111.04502	0.6
113.02444	11.7
116.66000	0.4
116.92822	0.5
119.03509	3.4
121.02995	2.3
123.00871	1.8
123.04496	0.9
123.08129	0.6
124.01673	0.7
124.44712	0.4
125.02438	1.6
129.01936	1.5
131.03484	0.5
134.03688	0.7
135.00919	0.5
135.04494	1.4
143.03500	2.9
143.10805	0.9
149.04550	0.8
151.03992	1.6
152.01144	63.6
153.01936	22.9
159.03070	0.5
161.04546	4.9
161.09677	1.6
161.13336	0.6
163.03983	1.9
163.11301	0.5
165.01889	1.2
167.03438	0.5
169.12297	0.5
171.13876	1.1
173.04520	1.1
175.03970	0.5
177.01938	0.7
179.05603	3.0
187.11249	1.9
189.09203	2.0
191.05597	4.8
192.05954	0.7
193.06123	0.5
201.14964	0.8
205.12245	0.7
207.10275	0.8
231.15948	0.8
248.62840	0.4
283.06039	0.4
315.07193	20.7
316.07419	1.0
336.83514	0.4
343.28452	0.9
347.27496	0.5
357.08206	0.8
359.27957	1.2
361.29532	10.9
373.15765	0.7
403.30441	1.1
404.03146	0.5
469.31393	0.4
475.33081	0.6
503.19016	2.5
504.32346	1.1
505.18289	2.5
505.33755	45.6
506.33942	1.9
521.20190	4.5
523.34821	11.0
524.34906	0.6
547.20746	1.4
565.19189	100.0
566.19501	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	565.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84340	1.2
55.01874	4.1
57.03448	13.6
59.01379	80.2
59.65347	1.3
60.01700	4.3
61.98831	100.0
67.01887	2.9
69.03446	3.7
70.87437	3.4
71.01382	22.7
71.32491	1.0
72.01687	1.6
72.77006	1.3
72.99303	1.2
73.02947	13.8
75.00877	1.4
79.95750	2.6
83.01389	16.5
84.02164	3.2
85.02953	80.5
87.00896	2.7
89.02440	14.0
89.03999	1.5
90.02771	1.7
91.01910	1.5
93.03468	1.4
95.01363	1.5
96.96020	25.2
97.02978	1.5
97.06591	1.4
99.00877	2.1
101.02440	22.2
102.02760	2.9
103.00311	1.4
103.67963	1.2
105.11052	1.1
108.02179	1.6
109.02958	2.1
111.00882	33.7
113.02441	10.4
114.02749	1.1
117.03441	2.6
119.03523	6.9
121.02934	2.3
123.04521	5.2
125.02435	2.0
125.06071	1.5
129.01929	23.4
131.03496	1.8
134.03757	19.2
135.04536	1.6
135.08221	1.2
137.02422	6.2
143.03503	4.5
144.03743	1.4
147.03036	6.5
149.02391	1.6
149.04510	4.1
149.06119	1.5
150.03218	2.6
151.04008	6.1
152.01060	1.5
153.05568	2.1
160.01653	3.1
161.04529	10.0
162.04936	1.6
163.07672	1.2
164.98660	1.5
167.03491	8.6
173.00912	4.3
175.04016	5.2
177.05498	1.8
179.03484	1.2
179.05580	5.8
179.10753	2.0
182.02235	2.7
183.10228	4.5
187.02448	3.9
191.01939	5.7
191.05582	1.9
193.05043	26.2
194.05286	1.2
203.03673	1.4
203.05594	1.4
205.03529	3.6
211.04013	1.5
223.13251	1.3
225.05562	6.1
235.06096	2.8
243.06657	7.8
243.08821	1.4
245.74207	1.2
251.12889	13.6
258.09006	13.0
261.07483	1.5
273.11362	7.9
295.11823	4.9
297.06140	2.4
317.10040	1.4
337.09189	2.8
341.05206	2.5
359.06238	1.7
361.08044	1.7
361.29288	1.4
381.08206	1.6
389.14523	4.1
398.22589	1.9
415.12704	3.0
479.15857	27.3
480.16415	2.0
505.33929	14.6
521.16705	37.4
521.24548	2.1
522.16919	2.9
523.34711	4.3
565.15320	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	565.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.5
57.03449	13.3
59.01381	7.0
59.28150	0.6
61.98829	9.2
65.00315	0.7
65.72805	0.5
67.01878	1.1
69.03436	0.5
71.01379	4.2
71.55387	0.8
73.02936	1.8
75.00862	1.3
81.03404	0.5
83.01376	4.8
84.02163	1.9
85.02948	100.0
86.03295	1.0
87.00864	2.0
87.94595	0.5
88.58838	0.6
88.98796	0.9
89.02424	1.0
91.01897	3.1
93.03453	1.3
96.80721	0.5
96.96043	1.0
99.00895	0.6
101.02470	1.6
103.00385	0.5
108.02175	1.9
109.02980	1.3
111.00878	11.3
113.02460	0.7
115.00355	0.7
117.92860	0.5
119.05060	0.9
121.02963	0.8
123.00861	1.1
123.04520	10.7
125.02451	3.1
129.01941	36.1
129.27902	0.6
133.03004	0.6
134.03738	1.9
135.04509	2.2
137.02431	1.4
139.00383	2.5
140.01161	0.6
145.02859	0.7
147.02995	15.8
149.02420	1.0
149.06058	0.8
151.04018	0.6
152.01117	3.6
153.01924	7.6
153.09103	0.7
154.02716	0.7
155.10794	1.6
157.08693	0.6
161.02490	1.5
161.09698	1.4
163.04118	0.7
164.04854	0.7
166.02759	1.5
167.03484	27.2
173.00906	14.7
175.04024	1.3
177.01959	0.7
179.03540	1.5
179.10741	2.5
191.01955	18.5
191.03650	1.2
192.04213	0.8
193.01349	1.3
193.05048	2.6
194.02194	2.1
197.04547	2.3
199.09663	1.3
201.11366	0.7
203.03548	1.2
205.05084	1.1
207.06551	1.0
209.02965	2.3
209.04764	0.8
221.04538	0.6
223.06126	0.9
223.09711	0.6
233.04539	0.7
235.06093	2.7
280.39355	0.5
282.53320	0.6
289.03345	0.6
297.06122	3.3
300.02658	1.1
317.03012	1.9
317.06152	0.7
333.05988	1.0
341.05106	7.2
353.12451	1.8
354.86273	0.5
358.10626	1.2
359.06174	7.7
373.12988	0.6
387.10712	0.9
388.11600	9.0
389.11044	1.6
397.11398	1.5
403.13724	12.0
404.13641	0.9
415.12402	2.4
419.14938	0.8
537.12494	3.6
565.18646	5.8
565.30780	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03451	13.7
59.01380	6.4
61.98827	13.0
65.00332	0.8
68.99835	0.9
69.76125	2.2
69.76534	0.9
71.01384	3.9
72.99326	1.1
73.02951	1.7
75.00848	1.0
83.01398	5.2
84.02171	2.2
85.02952	100.0
86.03278	1.0
87.00877	1.4
88.98820	1.3
89.02435	1.2
91.01888	2.4
93.03505	0.9
96.96010	0.8
101.02453	1.6
108.02180	2.9
109.02927	1.0
110.00098	0.7
111.00886	10.7
113.02466	0.7
119.05009	0.7
121.02937	1.0
123.00894	2.2
123.04538	10.8
124.01664	0.7
125.02446	2.2
125.61741	0.7
129.01952	37.6
134.03740	2.3
135.04517	1.7
135.11887	0.8
137.02449	2.6
139.00395	2.0
139.11259	1.2
147.03009	14.6
149.02443	1.4
151.04034	0.7
152.01152	4.0
153.01965	6.1
154.01447	1.3
155.10718	1.2
161.02441	1.3
161.09744	0.9
163.04034	0.6
165.04092	0.8
166.02710	0.9
167.03499	26.8
167.04932	1.3
168.03844	0.7
173.00908	12.6
173.04524	1.3
175.03978	1.3
179.03500	0.8
179.07135	0.8
179.10783	2.4
181.01448	0.7
191.01985	16.3
191.03500	0.6
191.05498	0.8
193.01340	0.7
193.05045	2.6
194.02209	2.0
197.04614	1.4
201.11398	0.8
205.05244	0.7
209.02940	2.9
223.09743	0.8
235.06096	2.0
297.06320	2.8
301.03122	1.1
302.03430	1.0
317.02979	2.2
323.07724	0.7
333.06296	0.8
341.05118	7.8
353.12360	1.4
358.10519	1.0
359.06180	7.9
387.11139	1.1
388.11627	8.6
389.10895	1.8
397.11414	1.7
403.13846	11.0
415.12411	2.5
444.61249	0.7
459.18161	0.9
505.33939	1.1
537.12384	2.8
565.18530	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	565.1557
Annotation	Chrysosplenoside H
Peak:m/z	Relative Intensity
56.80386	0.6
57.03439	2.7
58.18038	0.7
59.01380	8.0
67.01876	1.6
68.99809	2.0
69.03449	3.7
70.52345	0.6
71.01383	10.0
71.05037	0.7
71.55133	1.0
72.99292	2.6
73.02942	4.8
75.00872	11.8
79.01861	0.7
81.03467	1.6
83.01378	3.7
83.05031	1.2
84.02170	0.8
84.10343	0.8
85.02940	7.3
87.00872	6.2
87.04493	0.7
88.98826	0.9
89.02451	4.6
93.03445	2.7
95.01385	2.0
95.05006	1.5
96.96021	3.5
96.99345	0.9
97.02973	1.8
97.06618	0.8
99.00880	9.8
99.04496	1.0
99.92580	3.4
101.02444	4.2
105.01890	0.9
106.60603	0.7
107.05042	1.7
108.02142	1.7
109.02929	3.2
111.00887	4.3
111.04506	1.4
113.02476	5.0
115.00382	1.3
115.04018	0.8
116.92860	34.3
117.01878	0.7
117.92855	1.8
119.03497	1.6
119.04988	1.2
121.02957	1.9
121.06580	1.5
123.00888	1.8
123.04500	2.7
124.01633	1.9
124.86073	0.8
125.02455	3.5
127.00350	0.9
129.01941	1.2
131.54436	0.6
134.03708	0.9
135.02998	27.9
135.04562	1.9
136.01660	1.9
137.02412	1.8
138.03145	0.8
139.04047	1.2
141.01942	1.5
142.99879	4.9
143.03514	1.0
145.01439	1.0
148.01680	0.7
149.02396	1.6
151.04042	3.6
153.01921	1.1
159.02979	2.0
161.02492	1.8
161.04694	0.8
161.06111	1.2
163.03963	1.2
164.01172	8.8
169.01430	3.6
173.00874	1.0
173.06094	1.2
175.04042	1.3
175.07680	0.9
177.05553	0.8
179.05643	1.4
185.05910	1.0
188.08423	1.1
189.05482	0.7
191.05612	2.0
192.00790	1.0
205.08827	0.7
205.29982	0.6
229.03511	1.1
239.06895	0.8
241.10785	1.0
241.14502	1.3
247.06288	0.7
297.11969	0.8
313.16629	1.0
331.11801	7.2
345.13562	1.4
355.11786	0.9
373.12790	1.5
385.12820	3.5
391.13901	13.5
401.12027	0.9
403.14230	1.5
411.10709	1.4
413.12375	1.6
429.11838	3.3
443.13187	1.2
445.12326	1.0
505.13663	1.4
519.15308	0.9
521.16705	4.0
521.24921	1.0
547.14270	1.9
565.15607	100.0
566.15930	7.3
569.62463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0477
Annotation	UDP-glucose
Peak:m/z	Relative Intensity
59.01381	2.1
62.41460	0.3
62.96407	1.2
71.01385	1.4
71.53675	0.5
72.63004	0.4
72.99294	1.2
73.02946	0.6
78.95901	100.0
85.02962	1.7
87.00875	1.8
96.96031	8.1
96.96956	36.9
98.95577	0.4
111.01992	7.6
113.02431	0.9
120.97016	1.8
130.16034	0.3
136.04054	0.4
136.94023	0.6
138.98032	3.2
150.98007	2.7
158.92531	15.5
164.03564	0.7
174.02771	0.4
174.97986	1.3
175.02484	0.6
176.93582	1.3
178.95006	0.5
192.99030	1.7
201.02571	0.8
211.00092	5.4
217.03452	0.9
241.01183	10.1
259.02209	0.7
262.01212	0.5
272.95688	5.1
280.02225	1.9
305.01715	1.1
320.97830	2.4
323.02826	61.5
324.03122	1.5
380.81259	0.4
384.98566	3.9
402.99515	2.0
504.82001	0.5
504.95206	0.8
565.04340	28.5
566.05072	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.12
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29128	0.6
55.01877	2.6
57.03449	16.6
59.01390	2.2
61.32111	0.6
62.26654	0.6
69.43240	4.5
71.01376	2.5
72.99307	0.9
73.02937	0.8
81.51688	0.7
83.01389	5.2
84.02171	1.5
85.02953	100.0
86.03299	1.3
87.00854	0.7
89.00372	0.8
91.01884	2.6
94.97296	0.6
101.02470	1.5
106.00626	0.7
108.02203	1.2
111.00881	13.4
114.86465	0.6
115.87988	0.6
117.03470	1.0
121.02964	7.6
123.00869	0.8
123.04536	5.3
129.01944	43.2
134.03728	5.3
135.04564	0.9
137.02472	1.3
139.00238	0.6
140.61525	0.6
147.02995	10.4
149.02405	3.9
149.06064	1.3
152.01180	1.3
153.05576	5.5
160.01633	2.5
161.02495	0.8
163.03886	0.6
164.04767	2.4
167.00058	0.8
167.03500	19.0
173.00906	13.7
175.00351	0.6
175.04039	3.9
175.95288	0.6
182.02116	0.8
190.02744	1.7
191.01985	8.0
193.05037	5.4
197.04552	12.5
202.29298	0.6
203.08234	0.9
205.05054	2.4
206.34474	0.7
208.03798	0.9
209.02972	0.9
223.06024	4.8
235.06155	0.9
261.07770	1.3
265.07263	1.5
291.08826	1.1
297.06058	1.2
300.38354	0.6
323.07703	1.6
327.07327	2.4
341.05106	3.2
353.08871	1.0
359.06274	1.8
367.06781	0.8
371.06192	2.6
389.07269	2.0
392.81876	0.8
523.23920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.5047
Annotation	9-OAHSA
Peak:m/z	Relative Intensity
57.73653	1.9
61.98824	7.7
67.10087	1.7
70.37005	3.7
70.37359	5.4
78.95928	2.1
255.23347	2.4
281.24850	100.0
282.25159	6.3
563.20654	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	564.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23298	0.5
53.53467	0.6
55.01873	1.0
57.03440	1.4
58.00595	0.9
59.01378	68.7
60.01717	0.6
61.98830	100.0
63.95829	0.6
69.03443	0.5
71.01382	16.2
71.01777	0.8
72.99321	0.8
73.02946	14.0
83.01392	5.7
85.02948	15.0
86.92454	0.6
87.00874	1.7
89.02444	15.0
95.01418	1.2
95.24485	0.5
96.96020	1.9
97.02950	0.8
99.00905	1.0
100.01721	0.6
101.02437	21.7
111.00905	3.2
112.63506	0.5
113.02446	10.0
119.03504	7.8
121.02975	0.9
123.04568	1.1
125.02441	1.4
129.01981	2.5
131.03497	2.5
134.03770	3.9
135.04504	0.6
137.02490	1.6
143.03522	3.6
147.03053	1.2
149.04572	4.5
149.05814	0.9
151.03960	1.4
161.04567	8.8
167.03471	1.4
173.00938	0.6
175.03960	1.2
179.05614	7.1
191.01903	0.9
193.05075	4.9
194.05348	1.3
203.05682	0.8
221.06711	1.3
251.12968	1.3
258.09033	1.4
285.00464	0.6
286.00989	0.9
300.02780	1.6
301.03235	2.1
315.05182	0.9
316.05731	0.9
329.02887	0.9
330.03485	1.2
343.04489	1.4
344.05121	2.3
345.05893	1.3
359.07327	2.8
360.07971	3.8
360.15320	0.7
371.12939	0.6
379.21396	0.8
397.22311	2.3
411.12350	0.6
457.25146	0.7
479.15717	3.1
504.32813	1.7
505.33948	1.2
521.16681	4.5
522.34198	0.8
564.14648	1.7
565.15503	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	563.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51149	0.3
55.01869	1.2
57.03448	5.9
58.00586	0.8
59.01378	100.0
60.01715	0.8
60.99302	0.4
61.98830	7.4
67.01899	1.1
67.89809	0.2
69.03455	1.6
71.01380	32.2
71.05017	0.5
71.23902	0.3
71.55348	0.3
71.55734	0.2
72.99290	1.3
73.02943	7.8
75.00870	0.7
81.03468	0.7
83.01385	4.0
83.05039	0.7
84.02161	0.3
85.02950	20.1
85.06159	0.2
85.06574	1.4
86.00099	0.7
87.00340	0.4
87.00872	5.1
87.04522	0.8
88.98794	0.3
89.02442	9.8
93.03458	6.8
95.01384	3.7
95.05035	0.6
96.96021	0.4
97.02956	2.0
97.06590	2.9
99.00883	4.0
99.04552	0.4
101.02439	18.1
101.09789	0.3
102.02755	0.2
103.00368	0.4
103.03979	0.2
108.02190	0.6
108.08216	1.2
109.02971	1.0
111.00887	1.1
111.04523	1.4
111.08129	0.2
112.01697	0.5
113.02448	19.0
115.04026	0.4
119.03499	3.6
119.04955	0.3
120.91031	0.2
121.02958	0.6
123.00849	0.5
123.04510	0.3
124.01656	0.8
125.02435	2.3
127.04035	0.8
129.01936	1.0
131.03532	0.6
132.04556	1.2
133.02953	0.7
134.03711	0.5
135.04552	0.7
137.02429	0.8
138.48610	0.2
143.03499	3.8
143.10780	2.5
145.02951	0.4
147.04602	0.3
149.02460	0.3
149.04530	0.4
150.03210	0.3
150.05612	1.1
151.00294	0.4
151.11275	0.3
152.01129	0.4
152.07181	1.1
155.03520	0.6
159.02992	2.4
159.04370	0.5
161.04553	14.2
162.04819	0.4
165.01897	0.8
165.05635	0.3
167.03401	0.4
169.12321	0.5
171.06654	0.2
173.04544	8.8
173.06030	0.6
175.04016	0.7
176.08401	0.2
177.01923	5.3
177.03339	0.4
178.02258	0.3
179.03482	0.3
179.05592	1.2
181.16032	0.3
186.06873	0.3
187.04057	1.3
189.05678	0.3
191.05602	24.9
192.05940	0.6
193.05022	0.5
197.15436	0.6
200.04668	0.3
202.06372	1.0
203.07047	0.4
205.03427	0.5
205.05205	0.4
214.06345	0.4
215.07150	0.4
217.08620	0.6
221.04694	0.3
227.03331	0.3
229.08665	0.4
230.09552	0.3
233.08467	0.3
235.09804	0.7
237.18526	0.4
244.23657	0.3
255.13892	0.7
257.11700	0.4
267.23413	0.3
271.22778	3.1
281.15295	0.4
283.13458	1.4
283.22723	0.4
297.12448	0.8
297.24063	0.3
299.25943	1.1
301.14438	0.9
305.24994	0.3
309.15051	0.5
311.12811	1.0
311.25970	2.0
313.27487	0.5
315.05099	0.7
315.13455	2.1
323.25781	1.2
325.14545	0.3
327.12427	0.4
327.15894	2.2
329.13971	0.4
341.26984	2.7
345.17014	1.6
353.13934	2.2
359.28018	7.3
360.28232	0.5
371.14972	4.6
372.15320	0.6
383.28244	0.3
389.16046	1.4
401.12384	5.2
402.12720	0.4
415.27057	1.1
433.28018	5.5
434.28345	0.4
443.30270	0.3
455.29742	0.4
467.29871	0.4
485.31070	1.3
503.32239	74.8
504.32587	7.1
519.19788	0.4
521.33289	21.0
522.33826	1.9
541.64667	0.2
545.20422	2.1
563.21301	4.4
563.34747	2.6
564.20978	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.9
58.00594	2.0
59.01377	100.0
60.99322	1.0
61.98819	3.7
67.01871	0.8
68.99810	0.9
69.03442	2.2
70.88200	0.9
71.01379	42.7
71.08698	1.1
71.09051	1.5
72.99292	2.5
73.02943	37.6
83.01391	10.9
85.02949	14.7
87.00875	5.9
88.98784	2.5
89.01923	1.6
89.02446	20.4
93.03468	5.5
95.01389	2.9
97.02947	1.9
99.00869	1.5
101.02442	41.6
108.02164	2.2
109.02947	3.7
111.04485	1.5
113.02443	22.1
113.03239	1.2
119.03482	11.5
119.04966	1.2
121.02951	2.2
122.03757	1.3
123.04549	2.4
125.02453	4.5
129.01993	1.2
131.03513	4.2
135.04538	0.8
137.02423	3.0
138.03223	1.1
143.03488	3.9
149.02469	0.9
149.04518	5.9
150.03157	1.3
151.00334	1.2
151.06100	1.9
152.01088	1.5
159.04507	3.2
160.04109	1.1
160.05260	5.6
161.02435	1.2
161.04561	12.3
161.05865	2.1
161.09729	2.5
163.03949	1.1
165.01913	1.8
166.02641	1.8
167.03459	2.7
172.05333	4.2
173.04532	8.0
173.06044	2.5
174.65486	0.9
175.03999	1.0
175.07634	2.8
177.01883	1.5
177.05516	1.2
179.03499	2.2
179.05508	3.4
187.07643	1.7
187.11255	2.1
189.01932	1.1
189.05544	7.2
189.09198	2.0
190.06320	7.2
191.05592	26.5
194.02243	1.3
199.03926	1.1
203.03491	3.9
205.08672	7.7
205.12193	0.9
218.05812	4.1
219.06311	1.0
221.06598	1.8
233.08176	3.2
243.02835	2.8
249.11293	1.1
253.08539	1.0
255.02858	2.1
271.02521	5.0
281.08167	2.5
283.13379	2.6
295.09824	1.3
296.10513	4.8
299.01978	12.6
300.02603	3.7
311.12918	8.5
314.04309	10.5
315.01724	1.4
315.04987	8.0
327.15994	4.1
341.13904	36.8
342.14395	2.6
345.01196	1.0
345.17023	2.7
348.26764	1.1
353.13873	2.1
371.11041	1.0
371.15079	5.6
383.11328	4.6
389.16074	2.0
399.10724	2.7
400.11591	12.6
401.12180	5.3
443.13318	2.6
485.00046	1.0
503.19193	13.0
503.31937	2.6
504.19318	1.4
519.11279	9.7
520.11493	1.4
521.19879	2.8
545.20056	2.1
548.14691	0.9
563.17096	11.2
563.23425	13.4
564.17383	1.3
564.24780	1.3
588.44354	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83607	0.3
55.01876	1.2
57.03446	5.6
58.00581	1.0
58.41464	0.3
59.01376	100.0
60.01704	1.0
60.99322	0.4
61.98827	10.4
67.01888	1.2
68.99560	0.4
69.03442	1.5
70.77892	0.3
71.01378	31.1
71.05013	0.5
71.55417	0.3
72.01727	0.6
72.38962	0.3
72.99306	1.8
73.02946	7.7
75.00880	0.4
81.03463	0.8
83.01385	4.2
83.05042	0.7
84.02158	0.7
85.02945	20.3
85.06571	1.5
86.00094	0.6
87.00867	4.6
87.04528	0.7
88.98792	0.5
89.02439	8.5
91.50726	0.3
93.03453	8.7
95.01382	3.8
95.05049	0.3
96.96039	0.7
97.02950	1.3
97.06577	2.9
99.00868	3.2
99.04521	0.4
101.02437	17.4
102.57307	0.3
103.00343	0.4
105.03488	0.3
108.02172	0.5
108.08205	0.6
109.02959	1.1
111.00872	0.9
111.04530	1.2
112.01662	0.4
112.98585	0.5
113.02443	18.8
119.03490	3.6
123.04527	0.3
124.01670	0.7
125.02446	2.6
127.04042	0.6
129.01949	1.0
131.03502	0.9
132.04558	0.7
133.02991	0.8
134.03697	0.6
135.04535	0.8
137.02423	0.9
141.01845	0.4
143.03502	3.1
143.10760	2.4
147.04633	0.3
149.02438	0.3
149.04492	0.5
150.05568	0.7
151.03932	0.4
152.01151	0.9
152.07182	1.0
153.01884	0.6
155.03520	0.9
159.02979	1.8
159.04437	0.4
161.04539	12.5
161.05896	0.7
165.01898	0.8
167.03482	0.4
172.05380	0.5
173.04539	10.2
173.06013	0.8
174.04793	0.4
175.03976	0.7
175.07596	0.6
177.01924	6.7
177.05440	0.3
178.02309	0.3
179.03481	0.5
179.05582	1.2
181.16057	0.4
185.06027	0.4
186.06847	0.4
187.04036	1.3
187.07628	0.3
189.05624	0.3
191.02005	0.9
191.05602	28.7
192.05942	0.9
197.15479	0.4
199.04028	0.4
201.05553	0.5
202.06319	0.6
203.07173	0.5
204.07858	0.3
205.03447	0.4
211.07571	0.4
211.16942	0.3
214.06328	0.4
215.07172	0.6
221.04427	0.4
225.09235	0.4
227.10751	0.3
229.08786	0.4
230.09488	0.5
233.08330	0.4
235.09680	0.8
237.18875	0.3
243.19452	0.4
248.10539	0.4
254.09439	0.4
255.13873	0.7
257.11923	0.3
271.22833	2.4
272.23117	0.3
281.15640	0.3
283.13400	1.7
283.22653	0.4
297.12445	0.6
297.24136	0.5
299.16611	0.4
299.25824	0.9
300.02628	0.7
301.14301	0.6
309.14954	0.9
311.12888	1.3
311.25897	2.1
313.27487	0.4
315.13361	1.8
317.17450	0.3
323.25928	1.1
327.12405	0.5
327.15814	2.4
341.26929	2.4
345.16959	1.5
353.14029	1.9
357.13602	0.3
359.27972	6.9
371.10541	0.4
371.14975	5.2
372.15384	0.8
383.27933	0.5
389.16132	1.5
401.12375	4.7
402.12531	0.5
415.27008	1.3
433.28021	4.8
434.28363	0.5
447.72949	0.3
455.30206	0.7
467.29504	0.6
473.31454	0.4
485.31223	1.6
503.32224	73.4
504.32541	6.6
521.33221	19.2
522.33905	1.5
527.19226	0.4
544.54321	0.4
545.20459	1.9
546.20929	0.4
563.21625	4.7
563.34625	3.5
564.21277	0.5
564.35083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35162	0.8
52.48170	0.8
54.73819	0.9
55.01876	2.1
57.03451	7.5
57.36825	0.8
59.01381	67.5
59.45577	0.7
60.01716	1.1
61.98832	14.8
69.03429	1.0
69.69195	4.4
71.01383	18.7
72.99301	2.0
73.02957	3.8
75.00874	1.6
78.76817	0.8
80.43619	0.7
83.01373	4.4
84.02175	1.6
85.02950	59.0
86.03294	1.3
87.00883	2.7
89.02447	13.0
91.35709	0.8
93.03461	1.0
95.01412	1.4
95.95262	1.0
96.96008	5.1
99.00883	1.3
101.02444	12.8
103.00412	1.1
108.02189	1.6
109.02957	1.5
111.00889	7.7
113.02437	8.8
115.04012	0.9
117.03464	2.2
119.03509	5.6
121.02946	13.1
122.20038	0.8
123.04549	1.4
125.02454	2.6
129.01944	21.8
131.03481	0.9
132.02162	6.2
133.02965	5.9
133.43175	0.9
134.03749	17.2
135.04530	4.7
137.02386	1.7
143.03491	1.9
147.02994	7.7
147.04552	1.3
148.05357	0.9
149.06071	2.5
159.04454	1.0
160.01656	32.4
161.02446	17.0
161.04620	2.5
161.06065	1.9
163.04012	1.1
163.11310	5.2
165.01988	1.1
167.03552	1.2
173.00906	9.2
175.03999	38.2
176.04689	2.9
177.01971	1.0
178.02791	1.5
179.03535	3.3
185.40498	0.8
185.70753	0.8
187.03983	1.2
189.05554	1.7
191.01970	5.6
191.05615	1.4
191.07162	3.4
193.05054	12.4
193.88332	0.8
202.06299	1.3
203.03546	1.3
207.06827	1.3
207.10298	9.5
213.71503	0.8
216.66057	0.8
218.05923	1.9
221.04585	1.5
223.13431	2.4
233.08188	2.5
235.06151	5.5
235.09895	1.0
251.05597	4.0
257.00903	1.1
265.07175	1.0
271.02542	2.3
281.27588	0.8
285.00412	1.0
295.04660	5.3
295.08017	1.6
299.01996	1.4
300.02802	3.6
315.05066	2.5
329.03085	1.3
343.04694	1.8
358.06985	3.4
359.07767	2.0
369.15451	1.4
387.16595	100.0
388.16846	5.0
401.12442	2.7
431.22940	2.0
441.14584	1.4
477.14453	2.6
489.18088	1.7
503.19620	1.3
503.32211	10.1
521.33325	2.0
531.18976	2.1
563.21405	66.1
564.22021	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	563.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02213	0.9
59.01109	1.5
59.01386	20.9
61.98821	3.3
71.01388	3.9
71.17674	1.3
73.02972	1.2
83.01395	1.0
85.02951	4.7
86.48473	0.9
87.00861	1.8
89.02431	1.3
93.03447	1.1
99.00878	1.0
101.02438	1.8
123.04546	1.6
125.02457	2.6
137.02489	1.3
145.02963	4.0
145.60973	0.8
146.03777	1.4
151.04041	1.6
164.01115	1.1
173.02370	2.4
173.04546	1.9
174.03217	16.9
191.05614	2.6
193.98224	0.9
206.02208	11.1
213.05571	1.3
289.07245	1.2
297.14966	1.3
315.16052	18.6
316.02176	3.0
331.04602	4.1
357.17114	3.1
459.20343	8.0
460.20996	1.2
477.21280	52.9
478.21545	3.9
519.22357	100.0
520.22705	6.7
563.14075	2.0
563.33795	2.7
564.22327	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	563.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06212	0.6
55.01891	1.1
57.03453	1.4
58.00593	4.5
59.01381	97.3
60.01720	1.0
69.16608	3.3
69.17033	2.6
71.01383	43.7
72.99300	3.8
73.02946	1.1
75.00957	0.6
83.01375	3.4
85.02955	12.3
85.08825	0.5
87.00897	2.3
89.02446	49.8
90.12277	0.6
95.01374	4.2
101.02442	31.2
111.00887	0.6
113.02453	16.5
114.08869	0.6
115.05634	0.7
119.03501	26.7
120.03913	0.7
121.02995	0.7
123.00892	1.6
125.02486	0.8
131.03522	2.4
131.05067	1.2
135.04526	1.4
138.03246	1.0
138.41028	0.6
143.03534	2.3
147.04527	1.0
149.04546	1.4
158.94478	0.6
159.04536	3.5
161.02428	0.9
161.04562	2.2
175.04016	3.7
177.05478	0.6
179.05624	5.6
180.04459	0.7
188.01146	1.4
189.02039	0.7
193.17032	0.7
195.06569	0.7
203.01593	1.2
203.03505	23.6
204.04167	2.6
218.05830	25.3
219.06432	2.1
221.04549	2.0
233.08182	26.5
234.08600	1.1
236.06929	3.2
250.04985	1.3
251.09273	4.2
300.02866	0.8
306.05246	0.8
307.06097	1.3
309.07684	1.0
315.05121	2.4
325.07217	1.7
332.92847	0.7
335.05527	1.4
353.06610	8.1
354.06964	0.7
368.08945	7.9
383.11346	29.8
384.11612	2.2
401.12390	2.3
519.10968	1.5
533.12921	1.8
548.15289	6.2
549.15735	1.0
563.17676	100.0
564.10260	1.0
564.18121	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	563.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62433	0.5
55.01871	1.7
57.03443	2.6
58.00596	4.2
59.01379	84.1
60.01702	0.6
61.98841	2.2
71.01381	46.6
71.54636	0.6
71.54980	0.5
72.01737	0.7
72.99314	3.9
73.02950	1.9
83.01391	4.0
85.02952	14.6
87.00890	2.1
89.02447	45.1
93.03477	0.8
95.01375	3.5
96.96020	0.6
99.00880	0.6
101.02441	31.1
107.05058	0.8
111.00891	1.5
113.02453	18.1
119.03500	21.7
119.04890	0.8
121.02964	1.2
123.00896	1.4
123.04528	0.7
125.02474	2.6
129.01924	1.9
131.03503	1.6
131.05017	1.0
133.03000	1.0
134.03766	1.4
135.04550	1.5
137.02495	0.8
138.03236	0.9
141.85820	0.5
143.03470	2.6
147.04475	1.0
149.02385	0.6
149.04565	1.5
149.05898	0.5
151.00288	0.9
159.04529	1.7
161.02463	1.1
161.04558	1.7
164.01157	0.7
167.03474	0.6
172.86917	0.5
173.00952	0.9
174.03236	0.8
175.04008	4.6
176.01169	1.0
177.01875	1.2
177.05559	1.1
179.03500	0.6
179.05620	3.4
187.03966	0.7
188.01044	1.2
191.01988	0.5
191.05650	0.9
193.04996	0.9
195.06706	0.6
203.03491	22.9
204.04170	1.7
218.05832	25.2
219.06425	2.5
219.91464	0.5
221.01047	0.5
221.04547	1.8
222.05153	0.6
233.08179	23.9
234.08464	0.9
235.06009	0.6
236.06824	3.3
250.04855	1.0
251.09178	2.9
289.07269	0.7
293.10590	0.6
297.14825	1.0
306.05292	0.9
307.06021	1.1
309.07590	1.1
315.05038	0.7
325.07144	1.7
335.05774	1.6
353.06650	8.2
353.10596	0.9
368.09045	7.1
369.09338	0.7
383.11319	27.6
384.11752	1.1
401.12415	2.1
413.14413	1.6
475.23288	0.9
490.87506	0.6
503.31937	0.8
505.13058	0.6
519.21429	6.1
533.13086	2.0
548.15399	5.1
562.32343	1.1
563.17670	100.0
564.18030	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	563.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35016	0.5
55.01921	0.8
57.03514	3.0
59.01114	1.8
59.01445	20.2
61.98901	6.6
69.03542	0.6
69.97936	0.4
71.01463	7.8
71.05093	0.5
71.55644	0.5
72.22375	0.4
72.99377	0.8
73.03033	1.8
75.00937	0.7
78.95987	1.4
79.95800	0.8
83.01479	2.0
84.02211	0.6
85.02479	1.2
85.02954	20.2
87.00942	0.9
89.02456	2.9
93.03539	1.3
95.01472	1.1
95.05128	0.5
96.96018	11.2
96.97015	0.9
99.00973	1.1
101.02464	5.1
103.00421	0.5
108.02255	1.4
109.03046	1.2
111.00874	2.3
113.02454	3.0
119.03629	1.0
120.53042	0.4
121.02966	3.7
123.00922	0.7
123.04617	1.1
124.01705	0.9
125.02448	3.8
129.01949	5.8
134.03825	1.0
135.04543	0.9
137.02551	1.9
139.04080	1.1
143.03596	0.6
144.88438	0.5
147.02991	3.5
148.01775	1.1
149.02441	3.6
149.06096	0.6
149.99680	1.3
151.04092	1.2
152.01241	1.3
153.02045	2.1
153.05698	1.5
159.03059	0.7
160.01790	1.6
161.02530	1.3
161.04665	1.3
161.06192	0.5
163.04124	2.0
164.98439	2.0
165.05623	0.9
167.03624	1.3
168.00665	1.1
169.03050	0.6
170.03859	0.6
172.01723	1.3
173.00990	2.1
173.04626	0.5
175.00293	2.7
175.04106	1.7
177.02045	1.2
177.99095	0.8
180.00790	0.6
183.10300	0.5
186.03300	1.1
189.05717	0.9
191.02061	1.4
191.05614	0.6
193.01479	0.5
193.05167	1.7
198.03323	0.9
202.02701	2.2
213.02069	1.6
214.02879	1.5
221.04637	1.7
223.13553	0.9
229.01472	1.4
230.02191	2.6
236.06908	0.8
241.01459	3.0
242.02245	3.0
251.05710	2.1
255.03004	0.9
256.03821	0.8
257.00928	6.0
258.01672	8.8
259.02115	0.5
269.00891	2.8
270.01624	3.1
271.02563	1.4
272.03394	1.0
273.04150	0.6
283.02435	1.0
284.03442	1.4
285.00433	14.4
285.03668	0.8
286.01178	20.3
287.01660	1.3
287.05533	0.7
295.04568	1.8
297.00662	1.0
299.02023	2.5
300.02716	11.3
301.03479	10.9
302.03964	0.5
311.01779	0.6
312.99896	9.5
314.00699	16.0
315.01407	0.7
315.05038	4.8
327.01462	1.1
327.21863	0.6
328.02234	15.3
329.03021	52.0
330.03351	2.3
343.04578	44.3
344.05334	52.3
345.05640	2.3
357.06323	0.9
358.06937	34.8
359.07703	100.0
359.27988	1.0
360.08038	6.0
386.09775	0.5
393.42096	0.5
399.47827	0.5
401.12637	3.8
401.25110	0.5
433.28107	1.8
460.05502	0.5
477.14297	6.4
485.30740	0.7
503.12363	1.0
503.18994	0.7
503.32303	16.6
519.15601	3.2
521.12830	3.7
521.33368	5.6
548.12238	0.7
563.13898	37.0
564.14166	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1045
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
57.03471	0.6
57.82455	0.4
59.01385	4.1
61.98828	9.5
61.99124	0.7
63.02402	1.3
65.00340	1.4
66.91953	0.3
71.01400	1.5
79.16014	0.4
79.95752	1.3
83.01389	2.2
85.02974	1.6
89.02471	0.5
96.96039	2.2
101.02468	0.5
102.87038	0.4
107.01382	5.2
108.02232	1.2
109.02975	0.4
121.02995	0.6
123.00919	0.5
123.04550	0.5
124.01669	1.4
129.01976	0.9
132.74022	0.4
135.00870	0.5
135.04539	0.6
136.01688	0.6
137.02538	0.8
147.02979	0.4
148.01692	1.8
149.02400	0.8
149.99635	1.0
151.00380	11.1
151.04019	0.5
152.01205	0.5
160.01689	0.9
161.02524	0.4
163.00420	2.8
163.11301	0.8
164.01157	3.4
164.04800	0.4
166.02640	0.5
167.03517	0.8
169.01486	0.5
169.15509	0.4
172.76820	0.4
175.00490	0.6
175.03975	0.7
178.09474	0.4
181.05034	0.9
190.02745	0.5
190.99838	0.7
191.01903	0.6
192.00713	0.6
195.06642	0.5
205.05013	0.7
216.04228	0.9
227.03468	1.8
228.04266	0.5
241.00159	0.4
243.02963	1.8
244.03760	0.4
255.03050	1.7
271.02509	4.3
272.03128	1.3
283.02487	2.3
284.03027	0.5
285.04132	2.0
296.02988	0.5
299.01938	4.4
299.05545	1.4
300.02747	78.8
301.03088	4.5
311.05548	0.5
313.03537	7.4
313.07187	0.5
314.04117	1.2
315.05096	100.0
316.05475	4.6
329.03006	0.6
329.06723	0.9
342.03812	3.0
343.04660	0.7
357.06137	13.1
357.10355	0.7
358.06390	0.9
359.07654	0.7
359.14883	0.9
367.10800	0.5
381.06152	0.5
387.16608	2.1
417.15701	0.4
459.08655	0.5
477.14548	0.9
519.15619	0.4
563.13647	0.8
563.21478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1405
Annotation	5,7,3'-Trihydroxy-6.8,4'-trimethoxyflavone 5-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.81572	0.5
59.01382	5.3
61.98829	4.5
65.00336	0.6
69.18850	5.8
71.01397	2.1
78.08369	0.5
81.51886	0.5
85.02963	2.6
89.02460	1.3
96.50366	0.5
96.96027	1.0
101.02486	0.7
109.33685	0.5
110.00076	3.9
111.00919	1.5
113.02438	0.7
123.04548	0.8
125.02449	2.7
129.01939	0.8
133.02975	0.9
134.03741	4.0
136.98859	0.8
137.02499	0.7
137.99583	3.9
138.03229	0.6
139.00389	0.8
147.03041	0.6
147.04498	0.6
148.01665	1.5
148.98874	0.6
149.99579	0.9
153.01929	18.2
153.05566	1.9
160.01694	0.9
163.04012	2.7
164.98289	5.9
165.01926	0.7
165.99065	4.0
167.03416	0.7
169.02998	1.5
175.04004	0.9
177.99086	0.8
178.99913	0.9
180.00670	3.3
181.01457	0.8
181.05103	2.9
183.10336	2.0
184.05345	0.8
185.02509	1.2
186.03209	1.9
191.03535	0.6
192.00450	0.6
193.01418	0.8
193.05029	6.5
197.02611	1.0
201.02040	0.8
204.97845	0.6
206.02080	0.6
207.03014	1.6
208.00125	2.0
212.04768	1.1
213.01955	4.6
214.02626	1.0
221.01009	0.5
221.04607	0.8
226.02699	0.7
227.03462	1.1
228.04280	1.1
229.01297	2.6
230.02295	0.5
235.06125	1.3
241.01370	4.7
242.02177	2.6
243.03030	1.7
244.03804	0.7
249.03998	0.6
253.01346	0.6
255.02988	2.0
256.03790	1.6
257.00903	10.7
257.03769	0.9
258.01489	1.0
259.06152	2.7
269.00900	2.1
270.01657	1.6
271.02502	6.8
272.03336	3.4
283.02466	2.6
284.03342	1.7
285.00406	52.8
286.00995	4.4
287.05603	1.3
299.02036	5.2
299.05399	1.1
300.02744	65.4
301.03271	4.2
312.99951	8.3
313.03461	0.9
314.00436	1.4
315.05084	31.7
316.05423	1.2
327.01480	1.2
328.02237	14.9
329.03012	14.3
329.06604	0.9
335.11310	3.4
341.08902	1.0
343.04568	87.2
344.05301	30.5
345.06064	8.0
356.05386	1.0
357.06174	0.8
358.06924	66.1
359.07687	100.0
360.08044	6.0
371.07593	4.2
371.15115	0.8
381.04700	0.9
397.07541	0.9
399.07132	0.9
401.12494	1.7
503.32230	1.2
521.33075	0.7
548.11816	5.0
563.13989	37.8
564.14288	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64215	1.0
55.90135	1.1
57.03440	1.3
59.18906	1.3
61.98821	1.4
70.29737	3.4
85.02947	3.3
87.14809	1.1
110.00074	4.5
111.00842	1.4
123.04523	2.7
133.02956	5.9
137.99612	1.5
154.78125	1.2
155.04973	1.4
164.98267	5.6
165.99062	11.7
178.99858	1.3
183.04488	1.9
191.01874	1.4
196.58134	1.2
199.04022	3.2
215.03494	15.1
227.03508	4.6
243.03110	5.6
255.02979	11.3
271.02466	41.4
272.03043	4.9
299.01962	100.0
300.02686	23.3
313.03510	1.7
314.04324	47.2
315.05081	14.4
329.13876	1.4
477.10260	2.3
504.08585	2.8
519.11420	93.6
520.11798	6.8
559.62958	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.104
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.12437	1.7
51.61516	2.1
51.70817	2.0
57.03453	3.4
59.01379	100.0
61.98819	5.4
68.99818	4.6
69.03417	2.1
70.80028	3.7
71.01383	49.0
72.99324	2.2
73.02548	3.7
73.02945	44.4
81.03449	2.6
83.01392	15.2
85.02957	19.0
87.00866	11.5
89.02457	14.7
93.03453	11.2
95.01392	3.4
96.96006	2.1
100.92432	1.9
101.02441	48.7
106.85612	2.0
107.01371	2.4
107.05037	2.1
108.02170	3.6
109.02981	5.5
111.04539	2.4
113.02443	28.8
118.85998	2.0
119.03502	8.2
119.05006	1.9
121.02961	3.8
121.84755	1.8
123.04543	2.5
124.01659	4.1
125.02435	8.0
131.03461	4.8
133.02856	2.1
135.04523	2.8
136.01686	2.4
137.02464	11.1
138.03148	2.8
143.03516	4.8
143.04974	2.6
147.04472	2.1
148.49336	1.9
149.02478	2.4
149.04588	10.0
149.05775	1.8
151.00365	8.9
151.03973	6.4
152.01146	10.1
153.01920	1.9
155.03470	3.4
159.04524	6.3
160.05270	5.9
161.04608	13.0
161.05827	3.2
163.04079	3.6
165.01933	10.9
166.02708	7.2
167.03535	2.9
171.04480	2.9
172.05266	2.5
173.04544	14.1
173.05978	2.9
175.04015	3.9
175.07639	3.0
177.01889	3.2
178.02776	2.3
179.03458	6.5
179.05595	3.5
180.00603	4.9
183.04442	3.5
187.04143	2.1
187.07600	3.3
189.05533	10.6
190.06334	10.7
191.03743	3.4
191.05602	33.9
194.02199	6.0
199.04010	6.6
203.03575	2.6
205.08669	10.1
206.02336	3.1
207.02946	7.6
215.03520	3.0
217.05095	3.6
227.03485	3.9
243.02995	22.9
244.03828	2.1
255.02966	19.2
271.02463	41.1
272.03027	5.4
296.10770	4.2
299.01981	95.4
300.02756	28.0
311.12863	11.8
314.04285	80.6
315.05084	66.9
316.05630	2.8
324.57303	2.3
327.12408	2.3
327.15912	2.8
329.13794	3.5
341.09753	2.6
341.13922	50.6
345.16653	2.9
349.23981	2.1
371.11267	6.5
371.15149	6.2
372.11960	2.5
399.10800	19.5
400.11639	67.3
401.12274	33.0
402.12579	3.2
406.93134	2.3
413.12097	5.0
443.13300	13.2
477.10254	5.7
477.46375	2.3
503.19302	19.8
503.25589	3.5
519.11414	99.0
520.11633	5.3
521.20032	3.5
533.16437	4.9
545.20508	4.4
563.17615	11.8
563.23676	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	563.1042
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.49496	0.6
57.03455	1.8
59.01376	12.0
61.98828	5.1
69.30341	6.6
71.01379	4.6
73.02932	1.7
78.95891	1.7
79.52405	0.8
83.01392	1.5
84.02163	1.5
85.02956	17.2
89.02450	3.1
91.89033	0.7
93.03435	1.2
95.01382	1.7
98.19917	1.2
98.56774	0.7
101.02439	2.8
109.02940	1.8
110.00095	6.5
111.00883	2.4
113.02443	1.2
119.03521	1.4
121.02934	3.0
123.00896	1.8
123.04496	1.7
125.02457	1.9
125.30592	0.8
129.01938	4.3
133.02936	3.1
134.03741	1.2
135.00919	0.8
136.01688	1.2
136.98825	2.8
137.02446	1.5
137.99593	6.8
139.00348	5.9
145.02986	1.1
145.06537	0.9
147.03024	1.7
149.02438	1.3
149.04515	0.9
151.04051	1.4
163.04027	1.1
164.98265	4.9
165.97661	1.1
165.99077	18.0
166.99850	7.3
173.00859	1.7
173.02469	1.3
175.03990	1.2
177.05679	0.8
179.03537	1.0
183.04512	2.7
191.01996	1.9
191.05527	0.9
193.98569	1.7
199.03987	1.0
203.03535	2.1
205.98579	0.8
211.13451	0.8
215.03496	1.5
216.04271	1.2
218.05820	1.5
220.03807	0.8
227.03505	3.2
228.04349	1.0
229.01468	1.0
233.08080	0.8
243.02902	1.2
255.02954	3.1
256.03772	0.9
270.01801	0.8
271.02496	5.4
283.02509	1.0
285.03888	0.9
289.07245	1.6
299.02011	14.3
300.02740	32.2
301.03088	0.9
314.04337	19.7
315.05103	100.0
316.05487	4.3
327.88406	0.7
359.07660	1.6
371.11627	1.1
383.11215	1.2
401.12405	35.1
402.12491	1.1
412.25351	1.0
459.09229	2.8
477.10297	6.1
519.11438	59.8
520.11548	4.8
563.17676	14.3
563.26532	1.2
563.29932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35403	0.5
58.02974	14.5
59.01371	2.1
61.98839	0.7
69.98018	2.3
69.98412	1.2
71.01377	2.7
73.02943	2.7
78.08453	0.5
85.02947	1.0
87.00882	1.6
89.02437	20.4
92.71251	0.6
103.04025	1.8
110.59207	0.5
123.26125	0.6
131.03508	5.7
133.02968	0.7
134.03732	1.8
135.04517	23.4
136.04796	0.6
147.04608	0.8
149.04550	100.0
150.04901	2.4
161.02441	2.5
164.07149	10.5
179.03493	20.1
206.08208	25.3
250.07272	1.5
311.07718	30.4
312.08173	0.9
352.23318	0.8
461.51163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59719	0.3
59.01412	0.3
61.98824	0.9
67.65688	0.2
71.17628	0.4
78.95901	8.4
85.06586	2.5
85.46780	0.2
90.10733	0.2
140.01164	2.3
152.99553	0.6
191.05589	0.3
196.03760	1.8
199.13403	1.3
214.04868	3.6
251.20140	0.4
261.18500	0.8
279.19626	18.5
280.20016	0.5
307.27887	0.2
309.79572	0.3
310.91098	0.2
341.32208	0.2
347.25891	6.2
348.26260	0.5
363.25378	0.7
365.26926	100.0
366.27307	6.1
366.31882	0.4
389.15018	0.2
493.13043	0.3
562.31464	28.1
563.31586	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	562.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
59.04364	0.4
61.98829	100.0
62.93227	0.4
67.01891	0.5
67.58231	0.4
69.33249	0.3
71.01379	0.6
71.53764	0.6
72.99292	0.4
79.22404	0.4
83.01418	0.7
96.96017	1.0
99.00886	0.8
102.61172	0.4
105.65829	0.4
109.02977	1.5
111.00912	0.4
115.00374	0.9
117.32336	0.3
119.05036	1.0
134.04771	1.0
135.04523	0.8
137.02419	0.5
139.00388	1.2
144.04552	0.7
149.06070	10.3
161.02428	2.0
163.03999	2.0
165.01950	1.6
165.05557	0.6
173.04556	0.9
175.03958	1.9
177.01955	1.7
177.05435	0.5
185.06267	0.5
187.03973	0.7
189.05521	0.5
191.05663	1.4
193.05034	1.9
203.07167	0.6
219.02980	4.4
229.05066	0.6
231.02985	0.6
231.06647	0.8
233.04602	1.3
237.04041	7.3
259.02463	4.4
275.05774	1.0
277.03635	1.2
293.06943	0.4
307.26184	0.4
319.04706	0.6
337.05606	12.1
338.06039	0.9
357.72043	0.4
381.08386	0.7
399.09525	0.9
439.08893	0.6
470.93219	0.4
481.09830	26.9
482.10150	1.7
499.10999	9.2
500.11264	0.8
562.10327	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	561.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65953	0.6
56.24041	0.7
57.03431	1.0
58.00584	1.9
59.01378	40.0
67.75351	0.6
69.69099	1.1
69.69411	4.0
71.01379	23.2
72.99297	1.2
73.02937	5.9
77.41234	0.6
77.67709	0.6
81.85059	0.8
83.01376	1.6
85.02946	6.3
87.00879	4.2
89.02442	54.1
95.01352	0.9
96.95987	0.7
98.19999	1.0
99.04507	2.4
101.02437	9.6
103.04010	2.6
107.73186	0.6
113.02439	7.1
119.03490	11.1
125.02443	0.8
130.10971	0.6
131.03510	8.5
134.03694	0.6
143.03503	1.9
146.48773	0.7
147.02980	0.7
149.04549	100.0
150.04918	1.0
155.14934	0.7
161.04550	2.7
161.13367	9.6
173.00922	0.7
179.05611	8.5
185.03290	0.8
187.11229	1.7
193.05025	0.9
205.12312	22.2
206.12677	0.8
223.13464	1.1
249.11281	15.7
249.13708	0.9
267.12231	0.8
311.09586	0.8
381.15497	1.7
385.18698	3.7
399.16678	0.7
429.17584	14.1
430.17978	0.7
561.21857	52.1
562.22418	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	561.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	13.4
67.50102	9.2
69.19946	100.0
75.95242	9.9
78.95883	10.5
81.17413	11.3
115.00790	11.4
141.95087	11.8
185.47487	10.4
212.58960	12.6
217.25424	12.9
365.26935	33.8
391.04291	10.1
552.35602	9.7
562.31519	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	561.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.1
61.98846	0.1
63.02396	0.8
65.00320	0.2
66.60748	0.1
71.01379	0.1
71.05014	0.1
71.54931	0.1
84.88338	0.1
93.03425	0.1
95.01417	0.1
95.05035	0.3
96.02156	0.4
97.02959	0.4
111.00870	0.2
121.02927	0.1
124.01659	52.8
125.01998	0.8
128.01134	0.1
138.03261	0.1
139.04007	100.0
140.04344	2.0
148.01672	0.2
156.00682	0.1
163.03993	0.4
178.13425	0.1
181.05080	0.5
209.11826	0.1
277.21689	1.7
278.22015	0.2
279.22714	0.1
283.08325	0.2
358.05173	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	561.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
57.03448	6.8
57.03674	1.1
58.00591	2.8
59.01378	92.5
60.99312	2.6
61.98825	3.7
67.01888	1.9
69.03447	2.2
69.28333	9.3
71.01379	48.4
72.99287	3.9
73.02946	19.9
75.00874	3.0
76.67738	1.0
81.07074	2.0
83.01389	9.3
84.02171	1.3
85.02947	46.4
86.03271	1.3
87.00878	6.1
88.98797	11.4
89.02441	79.0
93.03453	9.3
95.01382	3.4
96.95998	2.1
97.02973	1.3
98.20630	1.8
99.04520	6.1
101.02440	27.5
103.00354	3.7
103.04015	2.0
105.77286	1.1
107.01462	1.1
108.02179	1.7
109.02935	1.7
109.88627	1.1
111.00888	4.8
111.04505	4.7
113.02442	18.7
117.03493	2.1
119.03499	21.1
125.02443	3.3
129.01927	10.0
129.54353	1.1
131.03508	12.0
132.02165	1.3
132.05533	1.1
133.02968	3.4
134.03741	11.5
135.04517	3.4
136.01674	9.1
137.02469	2.3
143.03517	4.7
147.02992	4.3
149.04550	82.3
150.04921	1.1
151.03993	10.0
157.66196	1.1
159.04515	3.3
160.01656	3.7
161.02490	5.2
161.04581	7.8
161.06079	4.3
161.09654	1.2
161.13362	19.8
173.00897	3.1
173.04550	7.6
173.06096	2.8
175.03999	2.8
175.07681	1.2
177.01933	1.8
177.05589	3.7
179.05623	10.5
179.10742	1.7
187.11281	4.9
189.05540	3.3
191.01971	3.9
191.05603	29.3
191.07098	2.0
193.04997	10.3
203.07094	1.7
205.12314	48.2
206.12671	2.4
207.10248	1.4
223.13307	6.4
227.03748	1.2
249.11305	54.9
250.11705	3.1
261.07709	1.8
267.12430	7.5
309.07730	4.3
309.11102	2.2
321.07620	1.3
323.07593	1.8
339.12421	3.1
351.07471	2.2
357.09726	5.7
357.13507	10.1
367.06848	1.6
369.09726	6.3
381.15591	10.0
385.07755	1.6
385.18823	2.4
399.16116	2.7
429.17526	53.8
430.17996	2.4
445.07288	1.3
446.09058	1.2
479.67780	1.2
561.22034	100.0
562.22687	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	561.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02521	0.6
55.01874	1.2
57.03449	5.6
58.00578	1.3
59.01380	36.4
61.98830	4.3
70.14252	0.6
71.01382	24.3
71.01780	1.3
71.54364	0.7
72.99305	2.0
73.02951	5.0
74.02509	0.7
81.03475	0.7
81.07093	0.8
82.96111	1.0
83.01386	3.0
83.40123	0.6
84.02185	1.2
85.02950	31.3
86.03278	0.8
87.00884	3.2
88.98801	2.9
89.02443	46.1
93.03461	2.1
95.01372	1.2
96.96006	9.2
99.00867	0.9
99.04526	2.7
101.02438	12.0
103.04009	2.0
109.02938	0.8
111.00849	3.1
111.04491	0.9
113.02452	8.0
114.44996	0.6
117.03503	1.2
119.03502	9.7
119.04970	0.7
121.02897	0.7
125.02438	6.5
129.01950	10.2
131.03496	7.1
133.02968	1.3
134.03749	7.9
135.04492	1.4
137.02460	2.4
143.03493	2.2
147.03008	2.2
149.04553	100.0
150.04869	1.2
160.01668	1.1
161.02396	0.8
161.04584	3.3
161.13336	8.5
161.28027	0.7
163.04031	0.7
165.01894	0.8
167.03442	1.0
173.00922	3.9
173.04555	2.1
175.03969	2.5
177.01930	1.7
178.02759	1.6
179.05574	8.4
187.11298	1.3
191.01990	3.0
191.05606	7.9
193.05064	7.8
205.12332	16.8
207.10249	1.2
223.13391	3.5
249.11292	10.2
255.02936	0.8
267.12366	3.1
323.07785	1.8
337.59406	0.7
367.06503	1.5
369.13431	1.0
385.07703	1.4
385.18713	5.3
387.14691	1.7
399.16339	1.2
429.11902	0.7
429.17603	13.2
430.17786	1.2
472.45261	0.7
561.21906	46.7
562.22211	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	561.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33770	0.7
54.79865	0.7
55.01862	1.3
56.17895	0.7
57.03458	1.7
57.69852	0.6
58.00601	1.2
59.01377	100.0
59.48317	0.6
60.01698	0.9
61.98824	0.7
69.03455	1.7
70.64487	1.7
71.01376	34.1
72.01707	0.6
72.99322	1.8
73.02942	55.3
74.90965	0.6
75.00864	7.2
81.03461	0.8
83.01389	15.2
85.02950	11.5
86.38679	0.7
87.00903	2.4
89.02441	14.4
92.60037	0.6
93.03453	1.4
95.01404	2.1
96.96014	1.1
97.02943	0.9
99.00861	1.3
101.02440	49.8
103.00376	7.8
103.04049	0.8
108.02163	5.4
113.02446	17.2
114.01118	0.6
119.03503	6.5
121.02965	3.4
123.04524	6.3
125.02427	3.3
129.01944	1.3
131.03502	5.9
134.03769	2.3
136.01653	25.9
137.80551	0.6
143.03531	4.3
149.04541	16.7
151.04001	30.8
152.04286	1.0
155.03461	1.5
159.04552	1.3
160.05402	1.7
161.04536	14.1
161.13345	2.2
173.04620	0.7
175.03992	1.1
179.05624	2.3
179.10878	0.8
184.70352	0.6
187.03999	1.1
187.11284	0.8
188.04779	1.8
191.01956	1.1
191.05608	4.0
193.05112	0.9
203.05583	1.2
203.07169	6.4
205.12367	5.1
211.14746	0.7
221.06659	2.6
223.13420	1.2
235.07718	1.4
249.11324	6.2
251.07161	1.2
261.05518	1.1
263.07117	1.3
267.12442	2.3
278.09521	1.0
279.06528	4.6
281.08243	2.0
291.06644	1.6
294.09067	3.0
309.07907	1.6
309.11246	9.6
321.11627	1.7
339.08432	0.6
339.12335	12.1
342.11133	2.3
357.13416	28.7
358.13666	1.6
381.13953	1.3
429.17535	7.0
463.92621	0.7
543.19067	3.7
561.15454	0.7
561.22028	9.9
561.28906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69835	1.2
55.01859	1.6
57.03444	3.1
59.01376	44.4
61.98829	11.5
66.90955	1.3
67.01886	2.8
68.99565	4.3
69.03455	1.9
69.60636	3.3
69.61037	7.0
71.01379	20.3
72.99293	1.5
73.02940	15.7
83.01377	4.1
83.05024	1.5
85.02956	18.8
87.00877	5.4
89.02454	11.2
93.03455	16.5
96.96029	2.2
97.02978	1.9
97.06598	1.4
100.54854	1.3
101.02436	9.7
104.05009	1.7
106.06606	6.1
108.08192	10.1
109.02958	2.0
109.06602	2.0
111.00882	1.7
111.04483	3.0
112.98557	5.7
113.02448	6.6
116.92905	1.4
119.03492	2.6
119.04983	3.6
121.02963	1.9
125.02464	3.2
132.98709	1.4
133.02936	2.2
134.03712	2.0
135.04515	4.6
137.02455	1.7
145.02892	1.6
147.03033	3.3
147.04538	1.3
148.04045	28.6
148.57210	1.6
149.04539	8.7
151.00372	3.9
152.07146	5.2
153.02036	1.5
159.04523	1.9
160.04028	18.6
161.02493	1.9
161.04767	19.1
162.05554	3.0
163.03999	4.1
165.01900	1.3
166.08707	2.1
167.03520	1.5
171.10249	5.3
173.04550	14.5
173.05923	2.8
174.03195	1.8
175.02629	1.7
175.03999	1.7
177.01860	1.6
178.99825	5.4
179.03511	3.8
179.05719	1.7
187.03990	3.1
189.05569	1.7
191.01935	4.0
191.05591	40.4
192.03081	3.3
193.03705	12.3
193.04985	1.3
197.11792	3.1
199.07622	2.7
211.13300	1.7
214.02699	2.3
223.13371	2.5
227.07031	2.5
229.08578	1.8
240.10387	2.3
241.01299	2.6
242.02211	3.2
242.11967	1.6
245.08255	3.2
250.31566	1.5
253.09314	5.1
260.81097	1.5
267.11539	2.2
269.12939	48.8
270.01633	5.9
270.13333	3.1
271.02106	1.6
295.10861	49.6
296.11130	2.1
298.01132	1.6
300.02847	1.6
313.11942	32.6
314.12424	2.4
325.20135	11.7
355.13138	6.6
374.06342	3.7
387.14438	2.0
399.10779	1.5
399.16367	4.3
414.09644	1.8
423.10992	2.0
441.11740	2.7
464.09521	1.7
474.33063	1.4
475.17239	4.4
489.17883	1.5
501.30533	5.6
517.18231	100.0
518.18469	10.3
519.15204	1.9
519.31628	2.6
561.15222	17.0
561.29633	2.4
561.32086	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68791	0.8
55.01883	1.9
57.03452	11.1
59.01382	18.6
60.99296	1.6
61.98824	4.5
67.01895	7.1
68.99836	1.3
69.03473	1.5
69.85738	4.4
71.01385	10.6
73.02966	2.7
75.30099	0.9
77.03968	0.9
81.03479	1.6
83.01388	2.7
83.05006	1.7
85.02953	77.2
87.00880	3.4
88.98804	4.7
89.02454	8.8
89.03964	1.3
93.03464	40.8
95.01370	1.1
95.05038	1.3
96.96005	3.3
99.04520	1.2
100.33006	0.7
101.02457	5.3
105.03461	4.5
105.07040	1.3
108.02164	4.2
109.02972	9.7
111.00880	7.9
111.04500	6.0
113.02435	2.6
117.03445	3.1
119.03510	4.0
119.04999	1.8
121.02962	5.9
122.03747	1.8
123.04504	3.4
124.01654	0.9
125.02439	2.0
127.04011	1.3
129.01082	1.6
129.01953	17.6
132.02177	1.1
133.02959	24.6
134.03748	26.6
135.04561	10.0
136.01674	2.8
137.02440	9.1
143.05000	4.8
145.02974	1.0
145.06583	2.2
146.03722	5.1
147.02989	11.0
147.04616	1.1
148.05286	3.2
149.02480	4.6
149.04549	10.5
149.06071	9.9
150.03172	1.7
151.04010	3.1
153.01941	0.8
155.03490	5.7
155.05017	3.1
156.05779	1.3
158.03693	1.5
159.04520	28.6
160.01653	5.9
160.05289	1.2
161.02440	5.5
161.06079	32.2
161.07452	1.5
161.13362	2.5
162.06561	0.9
163.04008	1.2
163.07651	5.8
164.04802	3.0
165.01898	8.7
171.04495	3.6
172.05292	2.2
173.01056	7.3
173.04543	100.0
173.06052	22.0
174.03291	1.3
174.04869	1.5
175.04051	8.1
175.07654	7.8
176.04680	2.5
177.01964	14.1
177.05557	34.7
178.02713	5.4
178.05898	1.4
179.03477	6.9
179.05605	1.5
187.04022	4.8
188.04790	1.1
189.05577	27.0
189.17276	1.0
191.02036	6.5
191.05592	27.3
191.07164	9.8
193.05045	24.8
194.05338	1.1
201.05591	2.7
205.05074	2.0
205.12300	7.2
207.06587	3.5
209.08221	1.0
219.06656	4.8
223.06097	5.1
249.11345	8.2
261.07709	3.8
281.08087	2.5
299.01779	1.3
309.07687	21.2
310.08127	1.7
311.09381	1.5
321.07596	7.5
321.52628	0.9
323.07684	4.3
327.08545	7.3
339.08743	12.4
351.07217	11.1
357.09756	61.8
357.13394	2.5
358.09927	3.7
367.06567	3.4
369.09814	6.7
381.15622	1.7
385.07773	1.4
387.10846	5.3
421.71820	1.0
429.17258	6.7
501.13855	4.1
519.15112	5.4
561.15656	8.3
561.23108	12.3
561.30249	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
57.03439	3.2
59.01379	6.0
61.98830	1.8
65.00343	0.5
66.30647	0.2
66.45097	0.3
66.49067	0.3
71.01376	1.5
72.59359	0.2
73.02950	0.7
83.01379	0.3
85.02955	2.2
87.00894	0.3
89.02423	1.5
89.03963	0.4
91.05553	0.8
93.03455	2.0
96.96039	0.4
98.20664	0.7
99.00909	0.3
99.04517	3.8
101.02446	1.7
108.02162	0.3
108.33663	0.3
109.02969	0.4
111.00880	0.4
113.02442	1.2
117.03457	1.0
119.03497	0.3
119.05010	0.9
121.02951	14.3
122.03209	0.3
125.02454	1.7
129.01955	0.7
131.03493	0.3
132.02173	1.4
134.03770	0.8
135.04523	2.1
136.01659	0.3
137.02451	0.4
143.03525	0.3
145.02948	0.4
147.04527	3.9
149.02432	72.5
150.02759	2.2
151.03989	0.7
152.01157	3.5
153.01897	0.4
161.02469	0.4
161.04623	0.6
162.03233	0.3
163.03999	3.9
164.04784	49.4
164.98300	0.3
165.01936	1.2
165.05148	1.1
167.03529	0.8
169.05064	1.4
173.00832	0.4
173.04521	0.4
175.00282	0.4
175.03856	0.3
179.07104	4.6
180.04300	0.3
190.02769	1.2
191.05663	0.4
193.01405	8.4
193.05016	0.3
198.98120	0.3
205.05064	1.4
208.03754	15.6
209.03999	0.4
223.06096	100.0
224.06445	3.8
277.07202	0.4
293.06998	0.5
293.10303	11.0
294.10690	0.5
337.09250	10.1
338.09610	0.6
355.10202	1.9
399.23935	0.8
417.24792	2.0
459.26297	0.3
469.42825	0.3
501.30524	1.1
561.15948	0.8
561.29688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05801	0.8
55.01886	1.3
55.10685	0.7
57.03451	9.9
58.02976	1.1
59.01379	16.3
60.99309	6.0
61.98818	2.5
67.01890	4.3
69.03451	1.9
69.63873	5.0
70.01069	1.0
70.27791	0.8
71.01378	7.6
72.99301	0.8
73.02948	7.3
74.96449	0.7
75.00869	1.1
76.01308	0.8
81.03481	1.2
83.01376	5.1
84.00054	0.8
84.02156	1.9
85.02951	78.7
87.00877	7.3
88.98805	27.5
89.02446	7.4
93.03463	25.0
96.96011	2.4
98.19914	1.9
101.02425	6.6
103.00385	2.2
105.03458	1.6
108.02177	2.0
109.02956	2.4
111.00887	11.0
111.04518	4.0
113.02431	2.1
115.08757	2.2
117.03455	1.8
119.03545	1.0
119.05011	1.4
121.02972	2.9
122.03751	1.8
123.04539	1.1
125.02447	1.7
127.04030	1.7
129.01941	17.5
132.02177	3.3
133.02960	12.3
134.03746	22.5
135.04524	7.8
136.01662	34.7
137.02422	3.1
147.03024	9.7
149.02466	2.5
149.04587	4.4
149.06076	3.3
151.04007	47.2
152.04398	1.1
155.03569	1.2
159.04509	3.3
160.01656	9.6
160.05325	1.5
161.02446	14.5
161.04558	1.4
161.06078	2.7
161.13359	1.0
163.04004	1.5
164.04791	1.7
167.03407	0.8
170.67653	0.9
173.00940	5.4
173.04575	12.4
173.05969	1.4
174.03203	1.1
175.04024	7.0
175.07594	1.9
175.90688	0.8
176.04695	1.0
177.01930	3.9
177.05556	3.8
178.02695	2.9
179.03485	2.4
189.05534	2.3
191.02055	7.2
191.05608	100.0
192.05910	2.0
193.05031	20.8
203.07135	1.0
205.12312	1.4
210.37953	1.2
215.05664	3.4
223.06134	2.0
235.14345	1.5
249.11313	3.5
261.07666	3.5
279.13660	1.0
309.07675	1.8
309.11349	1.9
323.07767	3.9
339.12250	1.2
342.10950	1.7
351.07153	12.6
357.09698	5.4
357.13425	42.8
358.13760	3.2
367.06543	4.5
369.09744	20.8
370.09903	1.6
385.07648	2.0
387.10748	1.3
390.19955	1.2
429.21652	2.0
450.71759	1.0
561.15039	5.0
561.23010	2.0
561.29626	8.7
562.16370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66668	0.7
55.01870	2.2
57.03452	13.1
58.28985	0.6
59.01380	13.4
60.99296	2.6
61.98818	1.8
67.01882	3.2
69.03462	1.1
69.42462	5.2
71.01389	8.9
72.99307	0.7
73.02943	3.3
75.00867	0.9
81.03453	0.8
83.01384	5.9
84.02166	2.6
85.02952	100.0
86.03279	1.0
87.00873	5.5
88.98806	12.5
89.02438	6.6
93.03463	15.4
95.18471	0.8
96.96020	2.6
98.19944	1.7
99.04541	1.7
101.02438	4.2
103.00408	0.8
105.03468	1.3
108.02182	1.5
109.02959	2.3
111.00879	11.5
111.04527	2.9
113.02447	1.4
115.08771	1.9
117.03480	2.5
119.03521	0.9
119.05006	1.4
119.61057	0.7
121.02955	3.7
122.03780	1.6
123.04561	1.0
124.01676	1.0
125.02420	1.0
127.03990	1.4
129.00958	1.0
129.01939	21.3
131.03525	0.7
132.02170	2.4
133.02962	10.7
134.03743	27.9
135.04536	5.4
136.01669	11.7
137.02440	3.9
139.04124	1.0
143.03540	0.7
143.05016	0.9
146.03728	1.5
147.03003	11.7
148.05304	0.7
149.02428	3.2
149.04602	5.6
149.06049	5.6
151.04015	15.6
159.04512	7.9
160.01666	10.3
161.02443	9.0
161.04712	1.0
161.06064	6.0
161.13353	2.0
162.03044	0.8
163.04007	1.1
164.04817	2.7
165.01923	1.7
173.00934	9.7
173.04544	15.1
173.06062	5.3
175.04008	10.4
175.07678	1.7
176.04736	1.4
177.01958	4.2
177.05553	6.9
178.02701	3.4
179.03532	2.4
179.05673	0.9
179.10750	0.8
180.06677	1.1
187.03996	1.4
189.05592	5.4
191.02020	8.8
191.05609	60.4
191.07004	2.9
192.05957	1.3
193.05051	30.6
194.05359	1.0
205.12350	3.9
207.06589	1.0
215.05646	2.0
218.05818	1.3
219.06673	1.4
223.06119	3.2
223.13371	0.9
227.03914	0.8
235.14545	1.2
249.11305	3.7
261.07654	5.5
309.07834	3.6
311.09540	1.0
321.07623	1.0
323.07767	4.3
327.08820	1.8
339.08810	2.7
351.07111	8.0
357.09717	11.4
357.13522	15.4
367.02475	1.0
367.06500	5.3
369.09756	16.6
370.09970	1.0
381.15317	0.9
385.07687	1.0
387.11008	1.1
429.17523	2.6
429.21823	2.4
472.03656	0.7
501.13858	1.0
519.15204	2.2
561.15723	3.2
561.22131	4.0
561.29779	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	561.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.8
55.33252	0.3
57.03450	12.4
59.01383	2.8
67.01894	0.5
68.99538	0.4
68.99863	0.5
71.01392	2.9
71.55407	0.5
72.99303	0.9
73.02940	0.6
83.01387	5.1
84.02174	1.6
85.02951	100.0
86.03269	0.9
87.00871	1.2
87.40611	0.3
89.02434	0.5
89.03983	0.6
93.03459	1.5
96.96012	0.5
101.02446	1.1
103.00396	0.3
111.00881	12.7
111.04501	0.5
112.98569	0.8
117.03474	2.5
123.04538	0.4
125.02413	0.5
129.01945	28.2
132.02161	1.0
133.02956	2.7
134.03743	25.2
135.04483	1.1
137.02441	1.4
143.27289	0.4
147.02992	11.8
149.04573	0.6
149.06073	3.7
151.00443	0.4
160.01674	6.0
161.02409	1.4
162.03302	0.6
172.99458	0.7
173.00917	11.6
173.04578	0.9
175.03986	7.7
176.04729	0.6
177.01909	1.5
178.02705	2.2
191.01984	7.2
191.05573	3.3
191.07016	0.5
193.05048	25.8
194.05402	0.9
199.49403	0.4
202.06396	0.4
209.02992	0.9
218.05728	0.8
233.08142	0.4
249.11331	0.5
261.07736	3.8
271.02542	0.4
300.02875	1.2
301.03409	0.5
305.06668	0.4
323.07690	4.0
351.07147	0.6
367.06635	4.5
369.09662	0.9
385.07733	2.3
418.85239	0.5
447.09235	1.9
561.23389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.6
57.03448	14.9
59.01380	3.4
61.98815	1.5
67.29005	0.3
68.99816	0.6
70.03506	0.3
70.82943	0.8
71.01387	3.7
71.91744	0.3
72.99303	0.7
73.02946	1.2
75.00894	0.8
83.01385	5.9
84.02169	1.5
85.02950	100.0
86.03293	1.3
87.00871	1.3
88.98834	0.5
89.02448	1.1
89.03960	1.2
93.03436	0.6
96.96007	1.9
97.02942	0.5
99.00916	0.3
101.02445	1.1
103.00374	0.4
109.02950	0.6
111.00880	13.3
113.02422	0.8
117.03472	2.6
119.04996	0.6
121.02866	0.5
125.02443	2.7
129.01947	39.3
130.02310	0.5
132.02177	0.8
134.03740	30.6
135.04469	1.1
137.02431	2.2
139.03970	0.6
145.02960	0.4
147.03006	10.1
149.02428	0.6
149.04565	1.6
149.06065	4.0
151.03972	0.5
154.99863	0.6
160.01643	5.0
161.02440	1.4
162.03197	0.5
163.03967	0.7
164.04749	0.7
167.03561	0.4
173.00905	12.6
175.04002	7.4
177.05556	0.6
178.02692	2.2
179.03459	0.6
179.07095	0.5
191.01973	7.7
191.05576	0.6
191.07115	0.5
193.05052	28.9
194.05368	0.7
209.03027	0.9
218.05951	0.6
223.04419	0.7
243.06424	0.4
246.19115	0.4
261.07639	4.4
323.07745	4.9
339.10941	0.5
350.25931	0.5
367.06589	4.1
385.07816	1.2
461.82193	0.4
561.21594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42789	7.4
59.01397	11.3
61.98825	100.0
65.14695	8.5
67.92355	7.7
70.39420	15.3
70.39805	15.6
80.47926	7.6
81.86638	9.4
93.56455	8.1
95.98325	8.0
123.59994	8.0
128.89499	9.2
156.81706	9.0
190.35307	8.6
483.35907	9.4
521.66467	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	559.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66095	2.5
55.93940	2.0
61.98831	100.0
67.73507	2.2
69.20489	9.0
69.20918	14.9
84.97012	2.5
90.89500	2.8
92.40201	2.3
101.06078	7.9
136.53775	2.5
161.87033	2.9
194.92439	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	559.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.3
58.02972	6.4
59.01369	0.7
61.98818	0.9
66.03456	0.6
69.17519	2.5
71.01376	0.3
72.00906	1.6
74.02474	2.3
80.05052	0.4
82.06621	1.8
83.02467	0.3
84.08190	0.8
85.02944	0.5
85.04083	0.3
89.16829	0.2
93.03465	2.6
98.20660	0.5
99.92632	0.2
106.04253	0.6
107.05025	1.4
111.02019	2.1
112.07664	1.4
119.05020	8.3
126.09258	0.9
127.08797	1.3
128.07158	0.6
129.10339	23.9
130.08716	0.8
130.10690	0.4
130.20026	0.3
133.05298	0.7
134.06120	5.3
136.07669	1.6
138.08002	0.6
139.08740	0.9
140.07144	0.9
141.10393	0.4
143.11873	1.5
151.08794	0.5
152.07191	0.3
153.06686	0.6
153.10315	1.0
154.07568	0.4
154.08667	1.2
155.08255	9.2
155.11916	0.3
157.09743	0.6
162.05624	0.3
163.04008	5.4
164.07150	0.9
166.07356	0.3
167.08272	0.3
168.08997	0.3
168.79137	0.3
169.09821	1.5
171.11378	4.1
179.15530	2.9
180.06659	19.1
181.06912	0.5
181.09810	1.2
187.10835	2.6
191.05597	0.3
195.14952	1.2
197.16586	4.8
206.04460	0.3
206.11839	0.4
207.07701	0.3
207.15038	0.8
208.13365	0.4
222.16170	0.9
223.12328	0.6
223.14502	8.1
224.14859	0.3
225.16068	0.5
228.13484	0.3
231.07722	0.8
232.13383	0.4
239.17566	0.5
240.17203	1.0
242.02248	0.5
242.18752	0.6
247.14539	1.9
249.16061	11.0
250.16283	0.4
264.17084	1.0
270.01736	0.4
275.13986	1.2
275.21255	1.7
282.18130	0.5
283.16632	0.5
285.18167	0.3
292.23981	0.7
293.15063	11.2
294.15289	0.5
299.02072	0.6
305.43201	0.3
334.24985	0.7
343.20068	0.5
344.16129	4.1
360.22885	1.8
362.24707	0.5
378.24014	0.8
387.21542	0.4
404.21979	1.2
430.30344	0.5
431.20624	0.7
515.32404	1.2
559.31305	100.0
560.31567	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	559.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	12.3
71.54328	3.1
85.22981	1.9
96.96027	2.1
110.00123	1.8
120.99373	1.6
154.04288	3.6
156.02184	2.7
161.06322	1.6
164.98260	3.0
170.03664	2.5
186.03229	5.0
198.03172	3.3
210.52484	1.6
213.05461	1.8
214.02760	3.1
221.40352	1.9
226.02693	4.5
229.05241	1.9
242.02222	12.7
257.04810	2.4
269.98889	3.4
270.01678	55.3
271.02182	2.6
285.04071	11.6
298.01178	5.0
299.02097	8.6
313.03552	100.0
314.04175	19.8
342.11047	2.0
411.17984	2.8
467.74911	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20339	0.6
51.58690	0.6
55.01894	0.5
57.03443	1.9
59.01385	13.8
61.73845	0.5
61.98838	7.6
68.99568	0.8
71.01376	4.9
71.54865	0.5
72.10229	0.5
72.99297	0.6
73.02956	1.5
79.95746	3.8
80.96526	1.5
83.01411	0.6
85.02955	8.0
87.00891	1.2
88.24686	0.5
89.02469	2.0
90.52431	0.5
93.03471	1.7
96.96017	100.0
97.02906	0.6
99.00871	0.7
99.04606	0.6
101.02436	2.5
103.00379	6.1
108.02172	1.0
109.02962	0.5
110.49206	0.5
111.00894	1.3
112.98552	1.7
113.02458	1.4
119.03510	1.2
119.05002	0.7
121.02965	0.9
122.97520	0.5
123.04520	1.7
125.02448	1.6
125.67355	0.5
129.01961	2.5
132.05833	4.6
134.03748	0.8
134.97597	1.2
135.04550	1.0
137.02454	1.5
138.97061	1.2
143.03482	1.0
149.02438	1.0
149.04562	0.5
150.97095	0.6
152.98640	3.6
155.10812	0.6
161.02507	0.6
161.04617	0.9
163.00304	0.7
164.04807	4.6
167.03513	0.9
173.00943	1.0
173.04552	1.2
175.04004	0.7
179.03603	0.6
180.73294	0.5
180.98137	1.2
187.11307	14.8
188.11610	0.7
191.02020	0.9
191.05537	2.4
193.05063	1.0
222.99196	1.3
229.08852	0.7
231.10268	22.5
232.10667	1.1
241.00241	36.1
242.00502	0.9
274.20038	0.6
282.98462	0.8
283.01294	9.0
284.01508	0.6
327.00299	0.9
330.03793	0.5
427.19403	0.9
473.11240	27.8
474.11395	2.4
499.28952	1.7
515.12274	29.0
516.12152	2.0
541.09930	0.9
559.11060	20.1
559.31329	0.9
560.11053	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64875	24.5
51.68142	26.2
59.01386	34.0
61.98821	100.0
70.76541	23.1
71.54664	40.2
72.92731	23.1
95.14711	26.4
126.12157	26.9
135.71707	25.5
144.05176	27.3
277.99036	25.0
283.70755	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.5
59.01365	1.4
61.98832	2.6
69.54787	0.8
69.55196	1.8
71.01381	4.9
73.25076	0.3
80.96507	0.6
83.23598	0.4
85.02912	0.5
93.03465	1.8
96.95976	0.6
98.19881	0.5
101.02459	0.8
108.39359	0.3
116.37739	0.4
117.03467	7.7
119.05025	0.7
124.67348	0.4
135.04509	1.4
149.02487	0.9
151.71150	0.4
153.58073	0.4
161.02432	3.0
177.01991	0.4
181.27054	0.4
187.07523	0.7
191.05475	0.9
200.10693	0.4
201.05656	0.4
213.05579	0.4
215.07104	0.6
219.09453	0.4
229.08629	0.5
229.41260	0.4
232.09756	1.3
246.11240	0.6
257.08078	0.4
271.06012	0.6
274.10849	0.7
281.04379	0.4
282.05417	1.8
283.06030	2.3
293.04678	0.4
295.06110	1.8
296.06656	1.1
307.06192	2.7
308.06671	0.6
309.07611	1.2
311.05603	3.4
312.05594	0.5
321.07562	1.1
323.05527	1.3
323.08975	0.8
328.05936	1.4
331.09735	1.3
335.05475	0.9
335.09299	1.0
337.07098	1.2
346.10995	0.4
347.09238	0.9
348.12402	2.7
349.07019	1.1
349.10754	7.2
350.11420	0.5
351.08856	2.2
352.11673	0.6
364.12088	0.5
366.13443	12.6
367.13748	1.1
376.11810	3.5
377.10266	14.5
378.10608	0.8
392.11261	0.8
393.09741	3.6
394.12927	33.3
395.13208	2.4
406.12814	1.4
407.11295	1.2
421.09390	0.9
423.10992	0.5
424.14163	2.4
431.10010	0.9
438.11880	18.1
439.11905	1.2
468.12885	1.2
490.60330	0.5
514.17218	3.7
515.17480	0.5
558.16101	100.0
559.15979	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	558.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86401	0.6
59.01366	2.3
60.19389	0.8
61.01804	0.7
61.98830	100.0
70.39955	2.3
85.66268	0.7
87.52042	0.8
91.60223	0.6
93.49395	0.8
93.63099	0.7
98.20016	0.9
101.06119	0.7
101.84547	0.7
120.05981	0.7
149.76349	0.8
282.41684	0.7
319.46521	0.8
345.23105	0.7
561.25684	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01378	0.1
59.01379	0.5
61.98829	100.0
66.17921	0.1
69.34935	0.5
69.35353	0.4
77.81021	0.1
78.95918	0.7
80.08139	0.1
99.92589	0.3
116.92866	2.2
139.29205	0.1
147.96886	0.1
152.99594	0.3
255.23259	1.6
256.23572	0.6
257.23932	0.4
409.23474	0.2
480.30862	1.3
482.31247	0.2
483.31970	0.5
557.32037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27237	0.4
59.01392	1.5
61.98832	1.5
67.01926	0.5
71.01388	0.9
71.54858	0.6
80.96534	1.1
85.02970	0.5
89.02453	1.1
93.03472	1.4
96.96010	0.5
101.02476	0.8
102.05602	0.7
107.01318	0.4
117.03462	5.9
119.03485	0.7
119.05021	0.8
126.90446	1.8
128.03555	1.3
131.05032	1.2
133.02911	0.5
135.04559	1.2
145.06635	0.6
147.04489	0.7
149.12315	0.4
159.04587	0.6
161.02390	2.2
161.06091	0.6
165.05542	0.4
165.56912	0.4
173.06113	0.5
175.04004	3.4
187.04018	0.7
189.05603	1.8
191.03502	1.0
191.05611	0.6
217.05072	1.7
219.02989	0.5
225.05531	0.5
263.07211	0.7
267.06747	0.4
283.06152	1.4
293.04541	1.2
293.07742	0.5
294.05392	1.0
295.05948	2.4
296.06796	0.9
307.06171	5.3
308.06744	0.9
309.07660	24.0
310.08087	1.2
311.05530	3.7
317.08072	0.7
319.06116	1.9
321.07648	1.7
322.08295	1.2
323.05594	0.8
328.05838	1.8
333.07550	0.5
335.05542	2.8
335.09259	2.0
337.07159	64.9
338.07407	3.7
340.05960	0.4
342.68414	0.4
349.07126	2.4
350.07800	3.4
351.08728	0.9
354.07538	1.7
356.05292	0.9
363.08765	4.6
366.13354	0.9
367.08218	7.9
379.08218	0.7
393.09293	0.6
394.12866	7.9
395.13339	0.6
396.16492	0.7
406.13092	0.5
407.07581	0.7
410.32004	0.5
424.13956	1.5
431.09818	2.3
438.11984	6.9
439.11368	0.5
457.11398	17.2
458.11612	1.5
468.12738	0.7
470.12173	1.9
514.17389	1.9
558.16107	100.0
559.15881	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	555.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07862	0.3
58.45066	0.4
59.01379	100.0
60.01720	0.5
60.50595	0.3
61.98846	0.5
69.24172	1.7
69.24607	1.6
75.96240	0.3
86.44012	0.4
92.31361	0.4
95.86823	0.4
108.61980	0.4
216.15776	0.4
277.21753	4.8
437.92108	0.4
555.28625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
68.40718	0.6
71.01373	1.8
71.05016	2.9
71.46220	0.9
75.28302	0.7
97.02953	2.1
97.06570	2.5
99.00880	12.9
109.06548	1.1
115.49038	0.7
123.08149	1.3
125.09727	5.9
127.11301	0.7
140.85748	0.7
153.12843	1.1
155.14430	0.8
161.09657	0.7
163.11281	9.1
163.47214	0.7
181.12349	12.0
199.13399	31.0
199.52892	0.8
200.13776	1.3
207.10243	21.1
208.10669	1.1
225.11319	50.4
226.11661	1.4
241.43854	0.7
243.12320	9.7
255.23289	63.3
256.23624	3.6
299.15063	3.8
309.83603	0.6
317.16022	12.4
371.89694	0.7
451.62738	0.7
555.38995	100.0
556.39374	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	556.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07436	0.9
59.01363	3.4
61.98830	10.4
69.28293	3.2
69.28725	4.9
71.01409	1.1
85.02960	3.1
88.98831	1.2
94.78032	0.8
96.96006	1.1
98.19834	1.8
98.41842	0.8
110.00099	5.5
110.00761	0.8
111.00857	1.6
123.00871	1.3
125.99606	0.9
126.33622	0.8
137.99606	5.3
139.00365	8.1
139.04037	1.2
149.02420	3.3
149.99608	1.2
164.98265	3.1
165.99075	17.7
166.99863	4.8
168.96136	0.9
193.98596	1.3
199.03818	1.0
243.02937	2.2
271.02496	3.0
287.01944	2.4
305.41226	0.9
315.01495	9.0
316.02228	60.8
317.02338	1.9
330.03781	7.5
331.04559	100.0
332.04721	4.1
418.42148	0.9
450.01480	1.0
493.09839	68.6
494.10199	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	555.296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08797	0.5
59.01378	100.0
59.50190	0.6
61.98835	2.0
66.73300	0.5
68.20603	0.7
69.94332	2.1
69.94702	1.0
74.56068	0.5
75.00877	2.3
241.26982	0.5
255.23254	0.6
259.56415	0.5
277.72711	0.5
303.45026	0.6
455.30814	0.5
481.31525	1.1
550.73944	0.6
555.00439	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	46.6
60.73331	2.0
61.98835	10.2
71.53883	1.8
71.54332	3.2
76.46510	2.0
78.95908	5.4
82.64870	1.9
82.71996	2.0
86.18736	2.3
93.03420	2.7
97.16193	2.0
111.04464	2.0
114.05610	5.1
114.93385	3.3
115.00334	2.7
115.98568	2.7
118.48384	2.0
121.02961	39.8
123.00856	5.1
146.03714	3.9
147.04555	5.2
149.02422	15.1
151.03998	4.1
158.03705	9.5
159.04491	2.2
160.05290	10.9
161.05959	3.0
164.04787	52.5
173.06041	11.6
175.07639	30.1
177.05566	54.0
179.07143	4.8
188.59850	2.2
191.07188	2.8
192.07985	5.0
255.23241	30.6
256.23627	40.1
277.21762	2.7
328.13251	3.0
329.13998	5.4
337.89005	2.7
465.26224	2.6
480.31329	4.0
481.31296	21.6
495.27518	100.0
496.27997	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	555.2843
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01362	0.9
63.96229	0.7
64.97004	0.4
69.03474	0.4
69.88275	1.0
69.88696	0.6
71.01379	7.0
72.99275	0.4
73.02936	1.3
73.62553	0.3
78.98590	5.1
79.95733	7.7
79.96201	0.4
80.96516	54.7
81.03453	0.8
82.54135	0.3
85.02959	2.0
87.00876	2.3
94.98088	14.0
95.01385	0.4
96.96001	1.1
97.02930	1.0
98.20589	0.4
99.00865	0.8
100.13954	0.3
101.02425	2.5
103.91824	0.3
103.94246	0.3
106.98093	3.1
113.02484	0.5
122.97571	2.2
125.02448	2.9
127.03967	0.9
131.73900	0.3
134.97604	4.1
136.99135	1.5
148.99132	4.9
152.97528	0.3
152.98648	4.7
164.98627	10.6
167.00224	0.4
206.99690	2.5
225.00732	14.6
255.23378	1.7
299.04416	3.4
443.76608	0.3
555.28400	100.0
556.28766	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	32.1
61.98829	30.9
62.23593	20.3
68.18556	21.9
69.35387	92.8
69.35796	74.1
71.01373	27.8
75.00871	26.5
84.40318	21.3
88.98830	56.9
91.58466	22.1
100.25423	24.1
103.00352	31.5
227.47090	23.0
239.67613	21.4
249.51067	23.5
300.02634	24.3
301.03125	26.9
302.03430	24.6
309.07693	28.7
327.12378	100.0
339.12396	85.5
465.09293	86.2
555.16461	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	555.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28794	0.4
54.76248	0.4
55.01878	1.8
57.03448	13.0
59.01379	4.9
61.98822	2.4
67.01862	0.7
68.99831	0.7
69.03455	1.1
71.01372	2.5
72.99312	0.7
73.02943	1.0
75.00880	1.1
76.88464	0.5
78.95910	6.8
79.95748	1.7
81.03434	0.6
82.95425	1.1
83.01381	4.8
84.02161	2.4
85.02950	100.0
86.03297	0.9
87.00864	2.2
96.96014	41.6
96.96941	11.4
97.95975	0.4
99.00860	0.8
101.02467	1.2
103.00349	0.7
106.31041	0.5
108.02171	0.8
109.02985	0.5
111.00881	10.0
121.02966	5.8
123.00911	1.0
123.04544	2.8
124.01662	0.5
125.02435	0.8
125.06025	0.5
125.16114	0.4
129.00964	1.1
129.01944	22.7
134.03685	0.6
137.02324	0.5
138.03255	0.9
139.00339	1.7
139.03946	0.6
139.11266	1.3
145.01465	0.5
147.02989	8.8
149.06168	0.7
151.03970	0.6
152.01208	0.7
153.01918	0.9
153.05579	4.1
159.04416	0.8
161.02470	1.2
161.05930	0.5
166.99876	0.6
167.03487	4.5
168.00583	0.7
173.00917	9.5
173.06099	0.9
177.05627	0.6
179.03474	0.6
182.02188	1.6
183.10258	9.4
189.05612	1.1
191.01965	5.7
193.05057	0.6
196.03777	0.8
197.04556	11.2
211.06120	0.7
222.05328	1.1
229.51039	0.5
237.07613	1.1
251.12904	2.5
265.07120	5.0
313.12906	4.4
325.14621	0.5
327.07068	3.3
357.12247	5.2
371.06271	2.9
375.12982	5.6
393.14056	1.3
405.17957	1.2
469.17294	1.7
495.18704	0.9
519.15363	1.1
523.17914	0.6
555.20386	5.0
556.21423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.2
57.03450	14.3
59.01387	3.8
59.51944	0.5
60.70735	0.5
60.99289	0.6
61.98829	3.2
62.47968	0.5
67.01887	0.9
67.24107	0.6
68.99825	0.8
69.03458	1.2
70.29031	1.7
71.01385	4.2
71.05025	0.9
72.99297	1.9
73.02934	1.3
75.00868	3.3
83.01389	5.6
84.02162	1.7
85.02953	100.0
86.03269	1.7
87.00865	0.8
88.98817	5.0
89.00323	0.7
89.02442	1.1
96.96014	7.0
98.95589	0.6
101.02446	2.2
102.45389	0.6
103.00378	1.2
106.00620	0.7
106.07291	0.5
107.05045	0.6
107.70109	0.5
108.02187	1.2
108.18335	0.6
108.57117	0.6
109.03014	0.6
111.00885	14.2
113.02460	0.8
121.02965	11.4
123.00938	0.9
123.04530	2.7
125.02477	1.5
125.06161	0.6
127.00433	0.6
129.01950	44.0
130.02266	0.7
134.03723	0.6
135.04430	0.6
135.08194	0.7
138.03360	0.7
139.00410	1.1
139.03993	0.6
139.11325	1.5
145.01430	1.0
147.02988	8.4
149.02414	1.6
149.06084	0.6
151.00436	0.8
151.04102	0.5
152.01132	2.0
153.05573	8.3
153.09213	0.7
161.02460	0.5
166.99750	0.7
167.03540	4.1
173.00903	15.2
178.99863	0.7
179.03487	0.8
181.01543	0.5
182.02153	1.9
183.06612	0.7
183.10243	6.2
191.01964	4.1
197.04552	22.3
198.04878	0.7
201.11346	1.4
202.81305	0.5
209.04590	1.3
222.05180	0.6
237.07675	0.7
251.12891	4.9
262.94458	0.7
265.07086	2.9
271.02371	0.7
273.03046	0.8
277.18771	0.6
287.01813	0.7
290.59360	0.7
300.02701	1.6
301.03311	1.1
302.03412	1.5
303.04019	0.7
313.12943	8.2
315.01413	1.7
327.07196	3.6
330.03821	1.2
357.11658	3.4
371.06204	5.3
375.12909	4.5
393.14120	0.6
400.78430	0.6
435.13419	0.6
463.08881	0.6
464.09100	0.8
465.09460	3.3
469.17249	1.7
493.10004	2.3
493.25305	0.6
511.15695	1.6
555.17303	3.2
556.11523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63911	0.2
52.74428	0.2
55.17593	0.2
59.01377	24.4
68.99576	0.5
70.38928	0.5
70.39327	0.4
78.95903	19.0
79.30099	0.2
79.49790	0.2
81.31281	0.2
90.98813	0.2
93.07350	0.2
112.98567	0.4
145.69321	0.2
152.99567	3.0
159.82436	0.2
168.04297	3.0
191.36836	0.2
198.31493	0.2
224.06923	8.4
242.07991	1.8
247.19179	0.2
255.23285	100.0
256.23642	5.0
480.30930	70.6
480.45056	0.4
481.31305	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	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95044	0.6
58.24313	0.6
59.01377	16.9
61.98817	2.1
68.99538	0.6
71.54560	0.9
78.95908	4.5
83.91514	0.6
97.66454	0.6
112.98583	0.9
114.05583	1.0
121.02950	0.8
123.41616	0.6
144.61420	0.7
152.99634	1.6
164.04810	1.8
165.76906	0.6
168.04240	1.2
168.14540	0.7
175.07715	0.7
177.05569	0.9
224.06979	1.7
242.07982	2.1
255.23282	100.0
256.23596	4.9
282.62732	0.6
291.23413	1.0
300.69858	0.7
330.16449	0.6
480.30930	37.0
481.31320	2.8
495.27347	3.2
554.27252	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29184	0.2
58.22737	0.2
58.49986	0.2
59.01363	0.5
61.98828	0.5
65.85724	0.2
70.03680	0.5
70.04080	0.4
70.18664	0.2
78.95911	5.4
104.06080	0.3
108.45330	0.2
114.67699	0.2
130.62943	0.2
152.99544	1.3
168.03069	0.2
168.04343	1.4
224.06963	0.8
236.41528	0.2
242.07999	2.7
261.22083	0.6
279.23276	100.0
280.23633	5.9
462.39261	0.2
504.30945	39.6
505.31253	3.1
520.45886	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57279	0.5
54.12667	0.5
59.01372	0.9
61.68597	0.5
61.98825	3.3
66.05171	0.4
67.02969	0.5
71.38538	0.7
78.95902	21.7
80.96514	1.0
110.52505	0.5
152.99574	2.5
153.86055	0.5
162.35651	0.5
168.04306	3.5
176.46979	0.5
191.05389	0.5
198.10628	0.5
224.06891	8.5
242.08014	1.8
246.50021	0.5
253.81088	0.6
279.23270	100.0
280.23642	5.9
429.91595	0.5
504.30945	79.1
505.31259	5.7
554.27216	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	554.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39307	0.8
55.89808	0.9
59.01379	2.4
61.98833	12.7
68.18340	0.8
71.53313	1.0
71.53671	1.3
81.03449	4.5
83.01402	3.8
85.02958	2.3
95.05030	5.2
96.96024	0.9
97.02947	2.1
99.04532	1.6
120.01275	0.8
121.02985	1.0
123.04527	8.3
125.02461	12.6
135.04576	1.0
137.06076	8.3
139.03996	1.7
141.05553	1.3
149.02414	1.7
163.04059	1.8
165.05595	3.5
167.03484	26.9
167.50342	0.8
168.03864	1.3
179.03528	4.7
180.04201	1.3
181.05061	1.1
191.03522	9.1
191.05292	1.3
193.01379	1.0
205.05179	4.0
207.02998	1.3
208.03912	0.9
209.04556	100.0
210.04884	2.9
221.04489	1.8
233.04549	19.1
239.05708	3.2
251.05624	3.4
263.05585	2.1
301.96390	0.9
311.07831	2.1
329.08920	1.1
366.88846	0.8
371.09833	80.4
372.10294	4.7
401.11066	1.7
491.14081	37.8
492.14804	1.9
549.95270	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73966	0.7
59.01376	1.2
61.98830	8.3
66.45163	0.7
70.82572	2.4
77.94315	0.7
78.00984	0.8
78.97668	0.7
81.03458	4.7
83.01396	2.7
85.02901	0.9
91.98131	0.9
92.42588	0.9
95.05025	6.5
97.02944	1.4
99.04533	1.7
104.60744	0.8
121.02979	1.2
123.04526	9.0
125.02445	13.8
126.24722	0.9
137.06081	8.8
139.04004	1.8
147.04657	0.8
149.02383	1.5
163.04044	1.1
165.05560	5.1
167.03491	28.4
168.03731	0.9
179.03520	5.3
180.04266	2.8
181.05048	1.3
191.03490	9.2
193.05190	1.0
205.05055	3.1
209.04546	100.0
210.04869	2.9
221.04462	1.8
233.02393	1.4
233.04541	19.6
239.05612	3.3
251.05675	4.6
263.05695	1.8
311.07431	1.1
329.08902	1.8
371.09808	77.7
372.10150	5.3
401.10748	1.4
491.14017	39.8
492.14438	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	553.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67250	0.5
59.01391	1.1
64.02798	0.5
70.76573	1.2
71.01382	1.5
71.05039	2.3
78.84377	0.6
91.04012	1.2
95.05048	0.6
97.02980	1.5
97.06619	1.0
98.20580	0.7
99.00880	10.0
102.51518	0.6
109.06602	0.6
109.34983	0.5
125.09724	3.6
127.11294	0.7
155.14334	0.7
163.11298	5.1
174.35085	0.5
181.12335	9.9
197.11809	1.1
199.13391	29.9
200.13794	0.8
201.82884	0.7
207.10246	17.2
220.21002	0.6
225.11310	45.5
226.11674	1.2
235.20602	2.6
243.12360	17.7
244.12875	0.6
253.21672	7.0
274.35165	0.6
299.15005	3.3
317.16040	100.0
318.16354	3.9
505.89969	0.6
553.37421	22.9
554.37891	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	554.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.9
61.98829	100.0
65.03946	0.8
65.44402	0.5
67.01888	0.8
70.40088	2.2
71.01373	2.7
81.03470	0.5
83.01405	0.9
83.05043	0.6
85.02953	1.6
87.00903	1.0
89.02435	1.0
91.01893	16.5
93.03467	1.9
95.01379	0.8
101.02438	1.1
108.02228	0.7
109.02962	9.0
110.03253	0.8
113.02479	0.5
115.85970	0.5
119.05058	1.6
121.02962	1.4
125.02443	0.8
129.24400	0.6
135.00879	53.0
136.01244	1.2
137.02443	2.2
137.05991	0.6
149.02505	0.6
149.04636	0.8
153.01930	36.6
161.02492	1.3
163.04044	1.4
167.03529	0.6
173.04588	1.2
177.01901	1.2
189.01959	1.2
191.05632	1.3
225.34462	0.6
243.06592	0.6
279.05127	1.5
289.18280	0.6
310.48370	0.6
325.13062	0.6
339.07178	66.4
340.07578	3.4
343.14041	0.8
372.15347	0.7
379.10419	1.0
512.44507	0.6
554.22211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47818	0.2
59.01385	0.4
61.98831	100.0
71.01379	0.5
71.20140	0.5
71.20500	0.2
85.02951	0.3
96.96024	0.9
101.02460	0.3
113.02440	0.3
123.04537	0.8
124.81244	0.2
140.26645	0.2
144.04550	3.5
145.04855	0.3
147.19479	0.2
161.38771	0.2
167.03510	3.6
181.55032	0.2
188.03490	1.9
191.03537	0.7
191.05602	0.8
209.04665	0.5
227.14041	0.3
276.41382	0.3
284.50235	0.2
323.13617	0.4
329.08728	2.5
330.09320	0.3
348.13632	0.5
349.13107	0.6
554.12964	1.3
554.29150	0.3
555.17535	0.4
582.67590	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.3
61.98829	6.4
69.32818	1.5
69.33224	4.8
71.01377	5.2
71.16974	0.7
73.02598	0.7
73.02939	3.8
83.01377	0.9
85.02960	2.1
85.76587	0.7
87.00885	1.5
89.02451	2.0
93.03465	1.4
98.19873	1.2
101.02460	2.9
106.04233	5.5
107.05026	26.5
108.02154	1.2
111.00847	0.8
113.02457	2.4
119.03509	1.5
123.04502	2.6
134.03764	0.8
135.04521	100.0
136.04857	2.1
137.06117	2.4
149.04585	1.6
153.05579	13.7
161.04536	1.5
191.05617	0.9
195.06654	1.5
211.63298	0.7
487.59344	0.9
553.22064	1.2
553.29401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2863
Annotation	Sedumoside A5
Peak:m/z	Relative Intensity
55.01877	3.4
57.03448	2.3
58.00593	0.8
59.01379	20.8
67.01884	0.2
68.99819	0.3
69.03472	0.6
69.16472	1.4
69.16882	0.4
69.17584	0.2
69.43695	0.2
70.35352	0.2
70.66567	0.2
71.01380	38.8
72.01727	0.4
72.78162	0.2
72.99300	1.7
73.02946	13.3
75.00872	0.7
81.03446	0.3
83.01384	6.8
84.02155	0.5
85.02948	20.8
86.00081	0.3
86.03291	0.2
87.00860	2.3
88.98808	0.6
89.02441	7.1
93.03483	0.3
93.37337	0.2
95.01390	3.1
96.96021	0.3
97.02969	1.1
98.20605	0.4
99.00881	5.2
101.02440	32.5
101.39006	0.2
102.02787	0.3
108.02186	0.2
109.21204	0.2
111.00896	1.2
113.02446	14.8
114.02776	0.3
119.03510	2.3
125.02438	1.1
129.01932	0.9
130.08734	0.7
131.03474	0.3
143.03543	1.2
159.02997	3.0
161.04550	10.5
172.09811	0.6
173.04544	0.6
179.05629	0.5
191.05597	0.7
196.65411	0.2
209.90898	0.2
227.16565	0.5
229.18034	0.4
243.79793	0.2
310.63516	0.2
314.72488	0.2
391.23352	15.4
392.23709	0.8
503.14819	0.3
553.28619	100.0
554.28967	8.2
554.37659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15191	0.8
57.03426	2.5
57.73424	1.0
59.01376	11.6
61.98838	12.2
71.01366	3.7
71.55277	1.3
73.02918	1.6
73.90630	0.9
78.86710	0.8
78.95888	1.2
85.02969	6.4
88.98793	1.1
89.02424	1.8
93.03442	1.1
96.95981	1.5
101.02431	1.8
111.00828	1.2
113.02425	2.0
114.05609	14.6
119.03532	1.3
119.04960	1.1
121.02968	1.4
123.04536	4.9
124.57765	1.0
129.01898	3.0
129.49281	0.9
130.08658	1.4
134.03706	1.5
135.04483	1.4
137.02405	1.3
139.11160	1.0
145.02888	1.9
146.03719	1.0
149.02394	4.3
155.10744	2.2
156.10233	2.9
159.04372	1.5
161.02371	1.3
163.03955	1.3
164.04724	2.8
167.03432	4.2
171.04454	2.1
172.05220	1.4
173.00980	1.4
173.02373	6.3
173.04631	1.2
173.06058	3.0
174.03107	1.2
175.03986	1.7
179.03447	1.2
183.04430	1.1
183.11687	1.2
185.06024	1.8
187.03932	3.7
187.07654	1.7
188.04686	3.4
191.05675	1.2
193.01270	1.5
193.05086	1.0
195.04449	2.2
197.05980	2.0
199.03931	2.3
199.07567	1.4
201.01877	1.9
201.05522	1.3
204.04199	1.9
208.03654	4.4
210.06883	1.3
211.04008	1.5
213.05568	6.2
214.06342	7.3
215.03523	2.3
215.07146	6.6
219.02925	1.1
223.06067	8.2
223.11166	4.0
225.05452	1.3
226.06306	1.4
227.07004	2.5
227.10637	1.2
228.07973	2.1
233.09550	2.4
241.04932	1.6
241.12204	1.6
249.09151	2.9
251.10788	6.6
254.08154	1.3
262.08765	1.1
267.10150	1.7
272.09119	1.1
280.09637	1.7
356.18665	9.2
366.16830	1.8
382.16577	1.6
384.18161	100.0
385.18420	6.3
388.13211	1.2
410.16080	6.4
411.16531	1.3
412.17343	2.8
437.24515	4.9
438.15762	6.5
438.24948	1.3
440.17203	4.7
449.89841	1.1
465.23697	3.6
507.20721	1.1
509.22421	3.7
553.21576	36.0
554.21771	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	553.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.7
57.03451	9.3
58.68107	1.2
59.01105	2.0
59.01373	20.4
60.99302	1.3
61.98835	12.1
62.38477	1.2
67.01884	1.7
71.01389	11.4
71.54781	1.8
73.02948	13.6
79.05508	5.5
79.95749	1.8
81.03432	5.0
82.29885	1.5
83.01363	4.9
83.05015	1.6
85.02474	2.7
85.02950	39.5
86.03276	1.6
87.00862	2.9
87.04477	2.8
88.98766	3.4
89.02411	4.4
89.08776	1.3
89.58479	1.3
93.03474	7.1
95.05011	2.9
96.95484	1.6
96.96017	21.0
101.02411	6.4
105.03463	18.9
107.04961	2.3
109.02911	2.6
111.00846	4.1
113.02421	3.7
116.92818	2.2
117.03423	5.7
119.03453	2.1
119.04961	4.2
121.02924	3.0
121.06593	10.6
122.02357	1.3
122.03686	2.1
123.04532	100.0
123.08118	2.3
124.01626	1.2
124.04810	1.6
124.64021	1.3
125.02420	3.2
129.01962	7.6
133.02975	16.1
134.03683	2.7
135.04564	7.2
137.02429	3.2
137.06033	2.6
137.09666	2.2
145.02962	24.3
147.02908	3.4
149.02440	76.8
149.06090	9.2
150.03014	1.5
151.03975	2.0
152.01062	3.0
157.04982	1.2
160.05594	1.2
161.02338	5.0
161.04506	2.4
161.09663	4.5
163.03951	3.1
163.11172	1.8
164.04840	3.1
164.98430	1.9
165.05452	2.4
167.03497	57.2
167.07057	5.3
168.03699	2.4
173.00813	4.0
173.04546	7.5
175.00269	2.9
175.03897	1.6
177.01930	9.2
179.03404	2.9
179.10689	2.2
183.10292	1.5
185.11742	2.7
190.02719	6.3
191.01884	4.7
191.03563	2.2
191.05557	11.4
193.04965	2.0
197.11757	1.4
205.04971	5.9
209.04553	22.3
210.04854	3.1
211.04807	1.4
215.05479	3.8
221.40770	1.4
223.06154	2.2
223.09633	4.0
225.07658	3.0
229.08675	1.3
239.05675	2.4
259.13342	1.7
318.02029	1.7
329.08551	3.2
332.04312	1.7
347.06561	2.8
351.07050	7.3
373.16626	1.6
382.16379	2.0
385.15216	2.1
391.12387	9.3
407.19241	12.8
467.12302	7.1
491.18823	2.1
509.13177	7.4
509.20251	47.3
510.20786	3.2
546.21088	3.1
553.18976	85.9
554.19263	6.2
574.20251	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.3
57.03453	13.8
58.03765	2.0
59.01380	36.9
61.98836	12.5
69.26748	3.9
69.27158	11.8
71.01073	1.4
71.01388	13.2
72.99276	2.7
73.02957	7.7
75.00853	3.5
79.05513	4.2
81.03443	7.2
83.01382	7.4
84.02157	2.0
85.02954	98.5
86.03280	14.4
87.00858	6.1
87.03352	4.3
87.04499	1.9
88.98777	6.1
89.02414	6.2
93.03462	8.5
95.01392	1.8
95.04992	1.8
96.95992	4.9
99.00898	2.1
101.02467	7.5
105.03474	16.8
108.02132	5.1
109.02911	2.7
109.06565	2.1
111.00900	12.5
111.04480	1.5
113.02403	4.2
117.03477	1.7
119.03507	2.2
119.04977	1.8
121.02926	3.6
122.03687	2.8
123.04530	100.0
124.01595	1.8
124.04794	2.3
125.02446	4.3
129.01936	24.0
130.02252	3.6
131.02325	2.0
133.02902	5.0
134.03737	10.0
135.04410	6.0
136.01596	2.9
137.02448	10.3
137.06006	2.2
137.09650	5.6
139.03961	5.1
145.02858	4.3
147.02950	6.6
147.04366	1.6
148.03285	2.0
149.02441	67.3
149.06010	1.9
150.03137	3.1
151.03938	6.4
151.07603	2.2
152.01115	8.6
160.01620	1.9
161.02319	6.1
161.09703	3.0
163.03914	2.3
163.07571	3.3
164.04720	3.4
164.98291	1.8
165.01772	2.1
165.05585	7.7
167.03497	57.7
168.03807	3.1
173.00937	8.9
173.04623	8.3
173.05806	2.2
174.04822	2.1
175.03961	2.9
177.01889	2.2
179.03407	3.4
179.10652	2.8
181.08615	4.2
183.10233	3.2
184.10605	2.1
185.11780	2.9
189.05403	1.8
190.02641	4.8
191.01872	5.1
191.03444	1.8
191.05557	4.7
193.05069	13.0
194.05315	2.8
197.11763	1.9
205.03276	3.1
205.04985	7.1
209.04448	5.4
223.06027	4.9
223.09578	3.7
241.10614	2.5
268.03656	2.6
283.05945	7.1
297.07678	2.0
298.08261	1.9
313.10577	4.9
315.13989	3.4
331.11896	32.4
332.12152	2.1
337.10724	2.1
351.06970	2.1
356.03677	1.9
367.06622	1.8
377.13974	3.3
385.14703	2.3
391.12192	2.7
491.18924	3.8
509.20251	37.4
510.20285	2.2
553.18970	89.1
554.19366	6.9
574.19580	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.7
57.03451	9.3
58.68107	1.2
59.01105	2.0
59.01373	20.4
60.99302	1.3
61.98835	12.1
62.38477	1.2
67.01884	1.7
71.01389	11.4
71.54781	1.8
73.02948	13.6
79.05508	5.5
79.95749	1.8
81.03432	5.0
82.29885	1.5
83.01363	4.9
83.05015	1.6
85.02474	2.7
85.02950	39.5
86.03276	1.6
87.00862	2.9
87.04477	2.8
88.98766	3.4
89.02411	4.4
89.08776	1.3
89.58479	1.3
93.03474	7.1
95.05011	2.9
96.95484	1.6
96.96017	21.0
101.02411	6.4
105.03463	18.9
107.04961	2.3
109.02911	2.6
111.00846	4.1
113.02421	3.7
116.92818	2.2
117.03423	5.7
119.03453	2.1
119.04961	4.2
121.02924	3.0
121.06593	10.6
122.02357	1.3
122.03686	2.1
123.04532	100.0
123.08118	2.3
124.01626	1.2
124.04810	1.6
124.64021	1.3
125.02420	3.2
129.01962	7.6
133.02975	16.1
134.03683	2.7
135.04564	7.2
137.02429	3.2
137.06033	2.6
137.09666	2.2
145.02962	24.3
147.02908	3.4
149.02440	76.8
149.06090	9.2
150.03014	1.5
151.03975	2.0
152.01062	3.0
157.04982	1.2
160.05594	1.2
161.02338	5.0
161.04506	2.4
161.09663	4.5
163.03951	3.1
163.11172	1.8
164.04840	3.1
164.98430	1.9
165.05452	2.4
167.03497	57.2
167.07057	5.3
168.03699	2.4
173.00813	4.0
173.04546	7.5
175.00269	2.9
175.03897	1.6
177.01930	9.2
179.03404	2.9
179.10689	2.2
183.10292	1.5
185.11742	2.7
190.02719	6.3
191.01884	4.7
191.03563	2.2
191.05557	11.4
193.04965	2.0
197.11757	1.4
205.04971	5.9
209.04553	22.3
210.04854	3.1
211.04807	1.4
215.05479	3.8
221.40770	1.4
223.06154	2.2
223.09633	4.0
225.07658	3.0
229.08675	1.3
239.05675	2.4
259.13342	1.7
318.02029	1.7
329.08551	3.2
332.04312	1.7
347.06561	2.8
351.07050	7.3
373.16626	1.6
382.16379	2.0
385.15216	2.1
391.12387	9.3
407.19241	12.8
467.12302	7.1
491.18823	2.1
509.13177	7.4
509.20251	47.3
510.20786	3.2
546.21088	3.1
553.18976	85.9
554.19263	6.2
574.20251	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60500	4.3
59.01381	100.0
61.98828	28.7
63.64695	4.6
67.07416	5.3
68.90520	4.2
69.23191	50.9
71.01391	16.5
75.31931	5.4
80.91673	6.9
85.02946	11.1
87.00877	10.0
89.02430	5.2
93.03426	5.2
93.90266	5.0
101.02450	6.7
106.52552	6.0
113.02423	7.2
121.02916	10.3
135.04546	8.2
151.04048	6.3
173.04558	6.5
176.03348	5.3
179.03696	5.4
181.05028	4.8
187.07721	9.1
191.05556	14.1
204.56862	4.6
209.11848	5.6
214.06294	5.7
229.08661	6.7
258.83173	5.6
267.90039	5.0
327.15829	9.3
331.15546	6.1
371.14969	6.5
492.35513	10.2
553.21295	6.3
569.12958	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	553.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.2
59.01378	8.3
60.99306	18.0
61.98828	1.8
69.21492	5.8
69.21906	2.1
70.14294	0.9
70.42746	0.8
71.01376	3.2
73.02932	1.4
79.33064	0.8
85.02937	3.4
88.98804	97.9
89.02431	1.6
96.95998	5.8
97.55126	0.8
99.00896	1.3
101.02448	2.4
102.48618	0.9
107.01421	1.3
113.02427	1.6
123.00928	1.2
124.01665	2.7
125.02464	1.9
128.37279	1.0
128.48128	0.9
134.03745	0.9
142.86176	0.8
148.01591	1.0
149.02481	0.8
151.00377	7.7
156.51550	0.9
163.00313	1.4
176.49207	1.0
178.99881	2.7
191.05595	2.6
227.03413	1.8
243.02974	5.7
244.03403	1.0
255.02989	16.2
271.02466	33.3
272.02975	2.2
300.02737	68.9
301.03482	26.9
373.12701	1.7
433.24417	4.3
433.86487	1.1
446.64200	1.1
463.08810	100.0
464.09485	5.9
467.15952	4.3
509.16595	2.1
553.18658	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44918	0.5
57.03456	1.8
59.01377	17.2
60.99312	0.6
61.98829	5.8
71.01380	6.2
71.54343	0.8
72.99329	1.0
73.02940	4.2
79.95742	6.4
80.96516	3.4
81.03456	0.6
83.01387	2.3
83.05034	0.7
85.02953	16.2
86.03298	0.8
87.00887	1.1
88.98806	2.0
89.02425	3.4
93.03472	0.8
95.01373	0.8
96.96010	100.0
97.02957	0.7
99.04504	0.9
101.02446	6.2
103.00366	7.0
107.05036	0.8
108.02171	2.1
111.00895	1.1
113.02455	2.3
115.04000	0.5
117.03437	0.6
117.40181	0.5
119.03519	1.3
119.05009	1.3
123.00932	0.6
123.04509	2.2
125.02438	1.6
129.01938	2.6
131.03488	0.8
133.02928	0.8
134.03696	1.3
135.04541	1.1
137.02417	1.5
137.06053	0.7
138.97093	0.9
145.02951	1.7
147.02971	1.2
149.02478	1.9
149.06070	0.7
150.03180	0.9
150.97058	0.8
151.04054	0.6
152.01164	1.8
152.98608	1.9
161.02509	3.0
161.04573	1.9
163.04047	0.7
163.11275	1.1
164.98633	7.3
165.05527	1.2
167.03496	7.4
173.00943	0.5
173.04527	1.4
175.03996	0.6
179.03487	2.0
179.05624	3.0
180.98108	2.0
181.05031	1.4
183.10263	0.9
187.13367	1.1
190.02676	0.8
191.01970	2.6
191.03471	0.9
191.05621	0.6
193.05006	1.7
195.06528	0.8
207.10173	0.6
209.04538	3.2
214.08473	0.9
219.02997	1.9
220.77200	0.7
221.06592	1.5
222.99216	0.9
223.04343	0.7
232.16928	0.6
239.05743	0.7
241.00204	8.0
241.10945	0.8
263.07617	1.6
287.13138	0.8
316.05893	0.7
349.18793	0.9
373.09174	7.7
391.12314	3.5
391.19867	1.8
449.10971	1.8
449.21921	0.7
467.12213	67.2
468.12610	4.1
493.22586	2.8
509.13290	37.4
509.21176	1.3
510.13889	3.0
535.11237	1.0
552.30927	0.9
553.12195	37.9
553.21466	2.2
553.31635	1.7
554.12579	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	552.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71295	0.4
58.93936	0.4
59.01106	0.8
59.01380	7.8
59.94267	0.5
61.98828	2.5
62.96427	0.6
70.54529	1.1
70.54888	0.9
78.95904	31.8
80.07996	0.5
85.65628	0.5
96.96954	0.6
100.44917	0.4
105.15846	0.4
106.16302	0.5
152.99571	5.0
159.19975	0.5
168.04308	5.3
172.14548	0.6
206.46857	0.5
224.06926	12.8
233.22746	0.9
242.07993	4.1
253.21713	40.9
254.22026	2.1
255.49329	0.5
259.20792	0.8
275.20184	0.6
277.21707	100.0
278.22055	5.2
359.93170	0.5
478.29413	14.1
479.30023	0.6
502.29395	96.1
503.29745	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	552.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19255	0.3
52.93230	0.2
54.89250	0.3
58.02268	0.3
59.01390	0.3
61.98832	100.0
63.99654	0.2
69.26577	0.3
70.39922	0.8
78.95896	0.5
80.16605	0.2
80.96512	0.4
93.64542	0.3
144.31412	0.2
154.09808	0.3
160.27679	0.3
184.34923	0.3
196.39362	0.3
217.25690	0.2
224.16986	0.2
234.76018	0.3
253.21657	0.5
254.22156	0.6
255.22443	0.4
328.56714	0.3
448.97476	0.3
553.27155	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.6
59.26598	0.6
61.98818	2.2
62.42859	0.6
70.66353	1.7
70.83052	0.7
75.87272	0.6
78.95906	18.5
78.96380	0.9
152.99605	3.2
168.04300	3.2
224.06905	7.3
242.08043	2.0
253.21718	100.0
254.21997	5.6
311.18457	0.7
340.57623	0.6
478.29370	68.0
479.29630	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	551.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.3
64.84641	0.8
67.01888	0.8
69.47432	0.7
69.56948	0.7
71.01380	2.7
71.46323	1.5
73.02940	0.8
85.02955	1.4
89.02460	2.2
93.29404	0.8
101.02431	2.5
109.88737	0.8
113.02424	1.3
117.93075	0.9
119.86967	0.8
123.01031	0.7
161.04561	1.1
191.05563	1.9
192.21053	0.8
234.49782	0.8
235.08255	3.8
253.09267	10.8
255.23279	100.0
256.23608	5.2
290.92007	0.8
328.61935	0.9
359.05835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.0
70.28524	1.0
71.01345	0.3
78.95904	7.1
98.19839	0.2
105.54028	0.2
126.79291	0.2
127.07629	0.3
131.50169	0.3
152.99583	0.9
166.93341	0.3
168.04324	1.8
179.37785	0.3
224.06938	0.9
242.08011	3.3
275.20117	0.6
277.21704	100.0
278.22049	4.8
362.92044	0.3
470.69449	0.3
484.54904	0.3
502.29388	43.8
503.29727	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	551.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30737	43.5
59.01392	100.0
61.98837	95.1
71.46124	71.0
78.95912	95.7
96.96029	89.8
114.61052	45.3
152.99615	76.1
201.00552	51.4
279.23257	83.2
380.15176	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13005	0.4
59.01377	12.2
61.98831	0.6
71.01379	2.9
71.53681	0.4
71.54137	0.5
73.02944	0.7
77.22610	0.4
82.16067	0.4
83.01386	0.6
85.02938	1.1
89.02432	3.6
97.03033	0.4
101.02437	2.9
113.02437	1.4
119.03497	0.7
157.04990	0.4
161.04535	1.3
179.05577	0.7
191.05582	0.9
209.04417	0.4
227.69914	0.4
235.08229	3.1
253.09279	14.8
255.23283	100.0
256.23633	4.7
264.76727	0.4
491.32031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11425	1.3
55.01871	1.7
57.03422	2.6
59.01378	64.5
61.98835	1.5
69.03452	1.6
69.33782	11.3
71.01383	23.6
72.99319	2.4
73.02940	5.1
75.00866	2.2
83.01361	4.0
85.02937	9.5
86.00082	2.5
87.00873	5.6
89.02444	6.7
95.01414	1.7
97.02937	1.7
98.20611	2.4
99.00859	4.0
101.02438	13.5
111.00864	5.6
113.02464	7.8
119.03489	1.5
125.02421	1.8
132.05807	2.2
137.02391	1.9
141.01924	3.7
146.07352	7.8
147.08127	1.6
178.06348	6.9
185.07080	1.2
191.24289	1.3
213.34804	1.6
255.17462	4.7
257.19031	1.8
267.17514	3.8
268.77924	1.3
273.18576	11.2
274.18839	1.5
285.18591	30.1
287.20166	42.1
288.20514	3.6
301.21814	3.0
357.20944	2.2
417.23022	6.4
429.22787	15.2
435.23843	14.5
445.25891	3.1
447.23837	39.7
448.24118	3.6
465.25043	2.0
477.24921	22.4
478.25311	2.4
489.24911	100.0
490.25110	9.0
507.25943	13.7
508.51010	1.3
551.24689	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	551.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03439	3.1
58.00593	2.1
59.01379	22.2
61.98822	2.0
66.41724	0.7
69.03446	1.0
69.35064	5.4
71.01382	28.6
72.99314	0.9
73.02945	10.1
75.00893	0.8
80.95232	0.7
81.03488	0.8
83.01390	3.8
85.02951	16.9
85.47316	0.6
87.00867	1.1
89.02447	4.5
95.01389	2.9
96.96025	1.4
97.02966	1.8
99.00887	3.9
99.04534	5.0
101.01797	1.5
101.02441	25.2
103.04011	1.3
109.06603	1.9
111.00871	0.9
113.02464	10.7
116.09715	0.8
116.92864	1.7
119.03489	2.0
125.02438	1.6
129.01872	1.0
135.04445	0.7
136.01608	0.7
137.06122	0.7
139.07660	2.2
143.03491	1.9
152.01080	0.8
153.09254	0.7
159.02974	2.0
161.02480	1.3
161.04546	13.4
162.04953	0.9
167.03542	1.4
169.08685	2.3
173.00851	0.8
179.03384	0.7
179.05632	0.8
185.11772	1.0
193.05058	0.8
195.06671	0.7
227.12872	12.5
271.02505	2.1
272.02826	1.4
273.02905	1.0
300.02710	2.6
301.03140	2.2
302.03430	2.1
303.03937	1.1
329.16080	14.9
330.15973	0.7
353.14001	2.8
389.11911	0.8
391.04297	0.6
456.70605	0.8
491.21317	100.0
492.21506	6.6
507.10226	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	551.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15829	1.2
57.03451	2.8
59.01379	100.0
59.36551	1.0
60.01709	7.9
61.01803	3.9
61.98832	5.9
69.03441	1.6
71.01379	23.0
71.54871	1.7
72.01742	1.7
72.99307	2.3
73.02948	13.4
77.43802	1.2
83.01422	5.6
85.02945	9.5
85.11220	0.9
86.03270	2.2
87.00853	1.6
89.02443	5.6
93.03464	5.4
95.01392	2.8
96.95985	1.6
97.02963	1.9
99.00870	1.2
101.02435	17.3
105.43122	1.1
106.04240	3.0
107.05027	77.1
108.02147	2.2
108.05359	2.0
113.02464	11.0
114.02762	1.5
117.92937	1.1
119.03536	2.8
123.04576	1.9
125.02453	2.2
129.01918	1.9
135.04497	3.0
137.02460	7.4
139.03981	2.7
143.03493	2.4
149.04529	1.3
151.04016	11.3
161.04555	2.9
173.04541	3.6
183.85915	1.0
191.05608	5.0
249.11414	1.3
285.18573	1.3
329.17624	5.9
330.51868	1.3
345.30005	2.5
346.30402	3.9
347.04456	1.4
347.15186	1.7
347.30353	2.0
381.08206	1.0
451.23682	1.2
489.33838	1.6
490.34717	11.8
491.34839	15.2
507.22275	21.7
508.22543	1.6
508.35703	4.5
509.36060	6.1
551.22839	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	551.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72207	0.4
55.01877	2.3
57.03447	12.5
58.03765	0.4
59.01381	6.0
61.98831	0.9
67.01886	0.5
68.99814	0.7
69.03455	1.7
71.01386	3.9
72.99288	1.4
73.02585	0.4
73.02938	2.0
75.00868	1.2
83.01381	4.8
84.02162	1.6
85.02949	100.0
86.03290	0.9
87.00869	1.6
89.02449	0.9
93.03449	0.8
96.96002	1.0
97.02977	0.7
101.02434	1.4
103.00382	0.6
103.50558	0.4
105.85569	0.4
108.02182	0.5
111.00879	10.4
113.02450	1.0
117.03473	1.3
119.05000	0.5
121.02923	0.9
123.04499	1.2
125.02462	0.7
129.01941	24.7
132.02191	0.6
133.01419	0.6
133.02957	1.3
134.03745	9.1
135.04489	1.2
135.08070	0.5
137.02490	2.1
137.09715	0.6
139.11304	2.3
145.02957	1.5
147.02985	10.0
149.02429	5.5
149.06073	1.6
155.10814	0.5
160.01630	2.1
161.02446	6.6
163.03975	0.8
164.04756	4.6
165.05589	0.6
167.03497	1.3
173.00899	10.7
175.00507	0.5
175.03989	2.9
177.05592	0.6
178.02667	0.9
179.03473	1.1
179.07124	1.7
183.10246	10.0
190.02620	0.6
191.01959	11.5
193.01379	0.5
193.05066	9.5
194.05472	0.5
205.05051	1.5
207.06505	0.7
208.03758	0.6
209.04634	0.9
221.04547	0.9
223.06093	7.5
229.63258	0.4
233.08310	0.4
239.05753	0.6
251.05876	0.4
251.12834	3.3
261.07718	2.6
313.12897	6.2
317.01813	0.5
323.07733	1.9
331.04224	0.5
332.04315	0.4
345.06296	0.7
346.06512	0.5
347.06525	1.4
357.11899	9.1
367.06787	1.9
375.12973	8.2
391.86026	0.4
447.25616	0.7
465.27008	0.9
507.28186	2.4
550.30902	0.6
551.21704	4.3
551.32288	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97533	0.7
57.03444	1.7
58.02954	0.6
59.01371	3.6
60.11532	0.6
61.98816	2.1
70.13071	1.6
71.01387	2.7
73.02957	1.2
75.00902	0.7
83.01404	0.8
85.02955	11.1
89.02454	2.1
92.60281	0.6
93.03471	1.6
97.03142	0.6
111.00902	1.3
113.02437	1.2
116.92832	0.6
117.03455	1.0
119.03514	0.8
121.02950	8.9
122.03777	3.6
129.01933	2.3
133.02953	1.8
134.03748	46.2
135.04478	2.5
136.01604	0.7
137.02448	6.7
139.03990	2.1
147.02969	2.1
149.02455	13.6
149.04384	0.7
149.04881	0.7
149.06088	15.6
150.03236	29.3
161.04460	0.8
164.04767	1.5
165.05568	36.9
166.05840	0.8
167.03447	1.3
178.02721	29.1
179.03249	0.7
180.04230	2.3
191.01974	2.9
193.05054	100.0
194.05350	3.1
195.04829	1.6
195.06627	26.7
209.02942	1.2
239.07089	1.8
249.05289	0.8
250.06366	2.0
254.09561	0.7
267.06512	1.9
282.08990	5.5
297.11316	1.3
341.10294	28.6
342.10623	2.1
362.33521	0.7
371.11133	0.8
389.07401	3.5
389.12326	27.7
390.12967	1.7
491.21362	0.9
551.17749	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54841	0.7
55.01881	2.5
57.03454	12.8
59.01384	8.8
61.98843	0.8
62.10823	0.8
65.22813	0.7
66.85822	0.7
67.01917	0.8
69.03467	1.7
69.33824	4.6
71.01382	5.0
71.05038	0.8
72.99315	1.6
73.02958	4.3
75.00857	1.7
83.01389	6.5
83.05022	1.3
84.02163	1.8
85.02953	100.0
86.03278	0.9
87.00876	1.5
89.02447	1.9
91.64457	0.7
97.53836	0.7
98.25674	0.9
99.00915	0.7
101.02438	2.6
110.00118	1.5
111.00895	12.4
113.02442	0.9
117.03526	1.3
119.03474	0.8
119.04987	1.3
121.02937	1.3
122.02512	0.9
123.04545	1.2
129.01944	41.3
130.02242	0.8
132.05809	2.9
133.06622	4.8
134.03738	11.8
135.04518	1.9
135.08102	0.9
137.02489	1.4
139.11299	2.8
147.03003	7.9
149.02435	6.8
149.06078	2.0
150.32133	0.8
152.01160	2.5
153.09132	0.9
160.01706	3.6
161.02463	1.2
163.04016	1.9
164.04807	6.6
164.98384	1.1
165.98994	1.3
166.99409	1.1
167.03548	3.8
173.00908	16.6
173.09711	3.4
174.03201	0.7
175.03944	5.0
178.02672	1.8
179.07187	2.2
183.10246	14.0
185.06223	0.8
185.09764	1.7
187.11319	1.4
191.01976	5.0
193.01434	3.3
193.05035	12.8
195.03020	0.8
202.02698	0.9
208.03763	9.2
209.04546	1.2
211.11320	2.9
223.06122	23.1
224.06572	1.0
229.12335	7.7
241.15984	7.1
251.12822	3.2
256.40042	0.8
258.01797	2.7
259.01926	2.0
259.17044	1.3
260.02399	1.1
261.07632	2.1
273.11261	0.9
285.14972	1.4
286.01151	2.1
287.01706	3.8
288.01920	4.4
289.02524	1.2
301.03485	2.0
302.04034	1.5
303.04172	4.0
303.15991	22.6
304.16452	0.8
313.12915	6.9
314.00986	0.9
316.01379	2.1
317.01797	0.8
323.07764	3.0
329.03027	6.7
329.13937	2.4
330.03482	9.1
331.03650	13.6
332.04239	4.3
344.05438	3.3
345.05890	6.9
346.06152	9.0
347.06644	6.0
357.11935	10.3
367.06708	3.3
375.13000	3.1
386.51971	0.8
488.78836	0.8
507.18439	0.8
551.13245	19.8
551.21271	4.9
551.31018	6.5
552.12878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.2
57.03450	12.5
58.86881	0.4
59.01387	2.9
61.98821	1.1
67.01923	0.4
68.99798	1.1
69.03452	1.3
71.01377	3.2
71.05021	0.7
72.99304	1.1
73.02950	1.3
75.00871	1.4
83.01389	5.0
84.02169	2.0
85.02950	100.0
86.03275	0.9
86.17183	0.4
87.00882	2.5
93.03471	0.6
96.96014	0.9
98.20705	0.8
101.02444	1.0
109.02914	0.6
111.00172	0.7
111.00894	11.0
115.00398	0.6
117.03475	1.9
121.02994	0.5
123.00919	0.5
123.04525	2.7
123.08160	0.6
125.02444	0.9
129.01944	23.7
132.02103	0.4
132.58595	0.4
134.03746	11.3
135.04492	0.9
135.08156	1.0
137.02443	1.4
139.03979	0.4
139.11275	1.3
145.02940	2.9
147.02982	6.9
149.02425	1.9
149.06114	2.1
160.01627	1.9
161.02460	0.8
163.04031	1.0
164.04825	1.4
167.03506	5.8
173.00902	10.5
175.03970	3.4
179.07133	0.7
183.10254	7.8
191.01964	4.5
193.01381	1.3
193.05051	11.2
195.02988	0.8
203.38589	0.4
208.03758	2.1
223.06129	6.1
229.97734	0.5
251.12901	4.3
261.07648	1.9
290.45129	0.5
313.12958	6.0
323.07764	1.9
331.04126	0.5
345.06046	0.5
346.06757	0.5
347.06885	1.2
357.11960	4.4
367.06680	2.4
375.13037	2.9
405.17133	0.7
551.17352	0.6
551.24323	1.3
551.32104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91304	0.4
55.01876	1.7
57.03452	13.5
59.01381	6.9
61.98833	2.6
67.01898	0.6
67.42015	0.5
68.99813	0.7
69.03461	1.0
69.22845	4.4
71.01391	4.1
71.59396	0.5
72.99306	1.1
73.02940	1.8
75.00881	2.1
78.91881	1.5
83.01385	3.9
83.28865	0.5
84.02174	1.5
85.02953	100.0
86.03281	1.4
87.00883	1.5
88.98824	3.1
89.02456	1.6
89.03944	0.9
94.56512	0.5
95.05005	0.5
96.95996	0.8
99.00867	0.6
101.02453	2.2
107.17514	0.5
108.02138	1.2
111.00163	1.0
111.00883	12.0
113.02489	1.2
117.03482	2.1
119.05033	0.6
121.02964	0.7
123.04555	2.3
123.91167	0.5
125.02483	0.9
129.01949	43.2
133.02963	1.4
134.03749	16.3
135.04462	0.8
135.08189	0.7
137.02455	2.0
137.06090	1.4
139.11266	0.6
145.01387	0.5
145.02954	1.7
147.03003	7.7
149.02412	1.5
149.06085	2.1
150.03186	1.3
152.01215	0.9
153.01865	0.6
160.01627	1.7
161.02483	3.9
161.13692	0.5
162.02827	0.7
163.04002	1.4
163.07617	0.7
165.01927	0.5
165.05505	1.5
167.03523	4.6
173.00906	13.7
175.04013	2.2
178.02705	1.8
179.03490	0.7
179.07062	0.5
183.10254	6.8
191.01965	7.5
191.03577	0.5
193.05054	16.1
194.05315	0.8
195.06601	1.1
205.03470	0.7
205.05269	0.6
209.04596	3.3
223.06177	1.6
239.05602	0.9
248.20174	0.5
251.12849	4.1
261.07666	2.0
299.02008	1.7
313.12897	8.6
323.07672	2.2
341.10275	0.7
346.06461	0.7
357.11905	4.5
367.06778	4.0
375.12949	4.9
388.17145	1.1
389.17459	0.9
431.13464	2.5
551.18665	2.9
551.32098	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	551.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67359	0.5
55.01877	2.1
57.03450	10.8
59.01380	5.8
61.98832	2.2
68.99818	0.7
70.79602	0.9
71.01378	3.4
72.23730	0.4
72.99294	1.5
73.02950	0.8
75.00871	1.4
83.01389	3.2
84.02170	2.3
85.02953	100.0
86.03289	0.9
87.00866	0.7
88.98758	0.5
89.00326	0.5
89.02438	1.0
96.96008	0.5
99.00884	0.7
101.02420	1.2
103.00376	1.4
111.00885	4.4
121.02966	4.6
129.01956	12.5
133.02936	0.5
134.03700	2.8
135.04544	4.5
137.02431	0.8
147.02998	18.0
148.28865	0.4
149.02396	0.7
149.06108	1.0
150.03214	1.7
153.05563	2.8
161.02498	1.3
164.95862	0.4
165.04306	0.4
165.05534	2.1
167.03546	0.4
173.00932	3.5
175.87836	0.4
178.02716	1.3
179.03490	2.4
182.02229	0.6
191.01976	38.4
192.02383	0.8
193.05077	5.7
195.06651	1.4
197.04559	6.0
206.45718	0.4
209.03017	9.0
209.04854	0.7
247.16344	0.4
265.07242	0.5
341.10294	1.6
371.06189	3.5
389.07263	41.6
390.07571	1.7
390.12234	0.4
414.27878	0.4
447.63162	0.4
551.18353	0.5
563.37616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45335	0.6
59.01373	2.2
61.98829	10.5
69.80460	3.4
71.01367	1.6
71.74698	0.7
72.58115	0.6
81.03447	2.1
83.01395	1.4
85.03020	0.7
88.98817	0.8
89.02441	1.4
94.27731	0.6
101.02424	0.7
123.03622	1.2
123.04521	24.8
124.35197	0.6
125.02450	4.7
135.04480	1.2
137.02425	0.9
144.04544	1.1
145.01399	0.7
163.04068	1.1
163.94337	0.7
167.03488	100.0
168.03842	2.0
181.05090	2.0
191.03532	15.8
191.05432	1.4
193.05061	0.7
209.04553	5.7
221.04543	2.2
288.44571	0.8
329.08771	56.9
330.09192	2.0
511.16449	0.7
551.26953	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	551.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56073	0.5
57.03446	1.4
59.01383	21.8
67.01898	0.9
71.01401	6.2
72.99340	0.8
73.02962	0.5
83.01346	0.8
85.02452	1.1
85.02950	14.0
87.00902	1.2
89.02444	4.7
95.01392	1.3
96.95991	0.8
101.02447	3.6
103.00353	0.6
107.01360	0.8
108.02179	22.8
111.00890	1.8
113.02422	3.3
115.00306	0.6
116.71149	0.5
119.03506	1.8
123.00961	0.7
123.04536	14.8
125.02472	0.9
129.01950	2.5
133.01416	1.4
135.04527	0.8
147.02966	2.5
151.00377	1.6
152.01158	24.5
153.01401	0.7
161.04552	1.1
166.02750	2.7
167.03500	100.0
168.03868	2.5
179.03519	0.7
179.05556	0.8
179.70848	0.4
181.05045	1.7
182.91562	0.6
191.01955	4.9
191.05539	1.0
194.02193	1.7
197.04579	0.6
209.03091	0.9
209.04590	16.7
239.05614	2.6
246.39313	0.5
269.06635	5.7
329.08780	64.9
330.09006	2.7
339.03323	0.5
389.07327	3.6
576.40997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40162	3.5
58.03704	3.4
59.01371	17.4
61.98814	15.1
70.60435	9.2
83.01383	8.3
93.03442	8.3
93.07804	3.7
93.19123	3.7
95.05056	5.1
97.02928	7.5
107.05029	6.2
109.02937	17.1
121.02969	6.8
122.03713	5.7
123.04549	8.5
125.02421	25.0
131.30769	4.0
135.04527	3.6
137.02444	66.7
139.04002	5.4
149.02406	9.4
150.03198	22.8
151.03992	14.9
159.04503	8.8
161.02423	7.8
163.04008	6.2
164.01152	11.2
165.01894	22.0
167.03473	7.3
173.06079	8.4
175.03951	6.0
179.03540	23.6
183.12628	3.6
194.23056	4.3
199.07507	4.5
201.05589	6.5
203.07057	8.2
205.05089	6.6
213.09111	4.8
287.05499	8.4
289.07159	59.8
346.06366	5.8
354.17142	5.9
370.20148	16.1
412.21326	4.8
427.45538	5.0
506.24872	6.0
550.24420	100.0
551.24817	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	551.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
55.68801	0.5
56.60503	0.4
57.03451	12.8
57.53773	0.5
59.01386	5.8
61.98832	3.4
68.99821	0.9
71.01379	3.8
71.27456	0.8
72.99310	1.1
73.02942	0.9
75.00876	1.5
79.40310	0.4
83.01395	3.9
84.02148	2.5
85.02953	100.0
86.03284	1.6
87.00871	1.7
89.02438	1.3
96.96017	0.8
98.95622	0.6
101.02495	1.0
103.00371	1.5
105.42567	0.5
109.04038	0.5
111.00894	7.5
112.50327	0.5
115.00383	0.6
119.03455	0.5
121.02952	2.9
123.00871	0.7
125.02481	0.7
129.01952	16.7
133.02986	0.6
134.03741	4.0
135.04538	13.6
137.02420	0.8
138.03239	0.9
139.00417	0.7
139.03989	1.0
147.03006	15.9
149.02417	1.0
149.04567	1.3
149.06061	0.6
150.03224	2.1
153.05595	2.7
161.02412	1.3
165.05580	3.2
167.03494	0.7
173.00916	4.9
178.02682	2.1
179.03496	11.6
181.01460	0.6
181.84740	0.5
189.05615	0.6
191.01981	51.3
192.02266	0.8
193.05083	7.3
195.06606	2.0
197.04532	3.9
209.03024	13.6
235.00613	0.5
265.07104	1.2
327.07175	1.9
341.10242	1.3
345.09540	0.6
353.05093	1.3
371.06174	4.4
389.07278	28.8
389.12164	1.5
390.07535	1.6
431.11905	0.7
504.06055	0.5
551.14764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
58.24445	0.7
59.01373	1.4
61.98824	3.1
65.04029	0.7
65.07623	0.7
69.03462	1.4
71.02445	1.6
81.03463	1.4
83.01385	7.1
85.02965	0.8
93.03472	3.6
95.01322	0.9
95.05038	1.3
95.83980	0.7
97.02959	4.1
108.02165	1.4
109.02950	14.3
121.02951	4.0
122.03736	4.0
123.04536	8.3
124.01693	0.9
125.02453	13.3
135.04524	1.8
136.01643	1.9
137.02452	52.2
138.03123	2.7
139.04036	2.2
149.02470	5.7
150.03232	61.7
151.04041	6.3
154.02776	1.3
159.04532	3.2
160.05260	1.2
161.02444	1.0
161.06085	2.5
162.03267	0.9
164.01175	4.1
165.01930	15.8
167.03505	1.5
173.06032	1.0
174.03210	1.2
175.04010	2.3
175.07655	1.5
177.05576	1.2
179.03470	4.8
187.03999	3.7
188.04836	3.5
195.06587	0.9
199.03932	0.8
201.05624	2.0
202.06354	1.8
203.03502	1.1
203.07141	8.1
205.05055	6.4
212.38242	0.7
221.08183	2.2
225.02127	0.7
227.07062	1.3
231.03030	1.1
245.08191	15.0
246.08493	1.3
263.53409	0.7
271.06204	0.8
288.06485	3.6
289.07196	100.0
290.07541	4.6
297.59592	0.8
377.89398	0.8
398.19733	1.5
413.16257	0.9
414.16339	1.5
437.71191	0.8
493.98306	0.8
550.24390	15.1
551.25061	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	549.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39354	0.2
55.01888	0.9
57.03448	2.2
57.16474	0.2
58.00592	0.5
59.01377	100.0
59.71404	0.2
60.01704	0.9
61.70623	0.2
61.98829	1.4
68.20482	0.2
69.03452	0.6
69.20010	0.3
69.20419	1.4
71.01380	12.8
72.01694	0.2
72.99303	0.4
73.02946	3.6
75.00867	0.2
77.41621	0.2
81.03453	0.2
83.01388	2.9
85.02950	9.1
86.00127	0.4
87.00874	0.9
89.02441	1.9
95.01389	1.8
96.95974	0.3
97.02927	1.2
99.00886	1.8
99.92580	0.3
101.02441	8.2
111.00897	0.5
112.01656	0.4
113.02444	10.3
115.04021	0.8
115.92087	2.1
116.92832	0.5
119.03529	0.4
124.01675	0.5
125.02450	1.6
129.01965	0.3
135.04465	0.3
137.02481	0.2
143.03487	3.6
143.10640	0.2
151.03915	0.2
157.12315	0.4
159.03003	0.6
161.04550	3.7
163.23851	0.2
191.05557	0.2
197.15555	0.3
201.05533	0.4
217.96808	0.2
223.20638	0.5
229.08705	0.4
230.09445	0.6
261.95764	1.0
283.22955	0.2
297.24261	0.4
299.25824	2.0
345.30054	8.5
346.30447	0.4
387.31122	0.5
390.00793	1.0
415.30737	0.3
441.32291	0.5
453.32367	0.2
459.33176	0.6
489.34293	38.9
490.34613	3.1
507.35330	18.7
508.35675	1.3
549.36670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75744	0.2
55.01884	0.7
56.78189	0.2
57.03446	1.9
59.01382	100.0
60.01721	0.7
61.98827	1.6
69.03461	0.5
71.01384	8.1
71.09703	0.3
71.10048	0.2
72.99311	0.5
73.02957	1.9
75.00884	0.2
83.01390	2.1
85.02955	6.4
87.00883	0.4
88.98823	0.2
89.02457	1.4
93.03468	0.6
95.01395	1.6
96.96011	0.3
97.02966	0.8
99.00878	1.3
101.02445	4.2
111.00900	0.6
112.01685	0.3
113.02453	6.1
115.04025	0.4
119.03523	0.5
121.02937	0.4
124.01674	0.3
125.02407	1.2
127.11315	0.6
129.01958	0.4
134.03746	0.7
135.04533	0.6
137.02460	1.2
137.93726	0.2
143.03494	2.4
149.02429	0.3
149.04515	0.2
159.02971	0.3
160.01697	0.2
161.04590	1.4
163.04044	0.2
165.01907	0.2
167.03444	0.2
171.13898	0.9
173.04628	0.2
175.04007	0.3
179.03511	0.3
191.05531	0.2
193.05049	0.5
223.06326	0.2
297.24435	0.2
299.20453	0.2
299.25961	2.4
300.02841	0.4
300.26419	0.2
315.01559	1.0
327.28983	0.2
330.03680	1.1
343.28491	0.2
345.06094	1.7
345.13239	0.2
345.30096	9.7
346.30350	0.9
351.18130	0.4
373.14990	0.4
441.32147	0.3
459.33167	0.8
489.34335	36.4
490.34683	3.1
505.09766	0.2
505.20551	0.3
507.35394	8.5
508.35626	0.7
511.25281	0.2
549.12372	0.6
549.29749	1.1
549.37524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03862	0.2
59.01379	14.0
61.98829	0.4
69.25751	2.0
71.01376	1.9
73.02934	0.7
78.95889	0.5
79.38837	0.2
85.02957	0.7
87.00867	0.3
89.02454	2.4
101.02441	2.6
113.02446	1.2
119.03495	0.6
121.02909	0.4
133.05081	0.4
152.99622	0.4
161.04523	1.1
179.05565	0.4
235.08160	1.8
253.09294	13.7
253.21710	100.0
254.22066	5.1
346.22342	0.3
381.10965	0.3
489.30615	0.9
552.93622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
57.03447	1.8
58.00592	0.2
59.01377	100.0
60.01705	0.6
61.98836	0.3
69.03441	0.4
69.18849	1.5
71.01379	14.4
72.99319	0.3
73.02943	3.7
83.01385	1.9
85.02946	8.4
85.06580	0.3
86.00101	0.3
87.00894	0.8
89.02439	3.3
93.03457	0.2
95.01393	1.8
97.02961	0.6
98.19892	0.2
99.00880	1.8
101.02438	6.5
108.02187	0.1
108.82384	0.1
111.00890	0.2
112.01726	0.2
113.02446	10.2
115.04015	0.2
115.92088	1.3
116.92893	0.6
119.03483	1.1
124.01701	0.3
125.02432	0.8
129.01942	0.2
137.02466	0.7
143.03497	2.2
143.10756	0.4
145.77713	0.2
149.04555	0.2
159.03012	0.8
161.04555	4.7
164.05942	0.2
197.15486	0.8
223.20665	0.3
281.24808	0.2
283.22861	0.3
299.25955	1.5
327.29086	0.3
345.30072	6.7
346.30515	0.7
387.31186	0.3
415.30771	0.3
459.33176	0.4
489.34299	36.4
490.34616	3.4
507.35318	17.0
508.35590	1.0
549.28412	0.3
549.36310	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	65.3
64.92947	24.7
71.54230	30.3
89.62618	27.0
121.02875	38.4
126.61719	29.8
140.21904	25.0
143.78796	26.4
154.76080	27.4
170.30064	28.6
182.70807	30.0
277.21722	100.0
549.28790	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	549.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03454	1.5
58.00590	1.1
59.01379	31.7
60.23758	0.2
60.99300	1.7
61.98828	1.9
68.99809	0.3
69.03449	1.1
71.01380	38.8
71.54495	0.4
72.01721	0.4
72.99308	2.2
73.02946	15.0
75.00869	1.1
81.03475	0.8
83.01385	4.2
85.02950	15.1
86.00159	0.3
87.00876	2.5
87.04507	1.1
88.98802	11.8
89.02441	19.0
89.99173	0.2
90.02790	0.2
93.03471	0.6
95.01379	2.7
95.01933	0.3
96.96007	0.6
97.02950	1.8
97.06614	0.2
98.95595	0.2
99.00878	7.3
99.01528	0.4
99.04524	0.6
101.02441	23.5
102.02725	0.2
109.02994	0.4
111.00910	1.0
113.02451	13.5
115.04010	0.9
115.92078	0.7
116.92861	0.4
119.03505	3.6
119.05029	0.8
123.00887	0.5
123.04565	0.5
124.01643	0.7
125.02444	3.3
129.01967	0.9
131.03499	2.4
133.02965	0.4
135.04532	0.4
136.01640	1.7
137.02457	1.0
139.04070	0.4
140.64920	0.3
143.03479	1.8
149.04547	3.8
151.00426	0.3
151.04004	2.5
151.25298	0.3
152.01137	0.8
159.03018	1.7
159.04283	0.4
161.02428	0.6
161.04541	9.0
161.05890	0.4
165.01895	0.4
166.02696	1.1
171.04543	0.3
173.04585	0.3
175.03993	0.3
179.05609	1.0
179.07033	0.3
181.01488	0.3
181.05081	1.7
191.03737	0.5
191.05615	2.7
192.04163	0.3
193.05040	0.5
193.47675	0.2
203.03427	0.3
204.09366	0.3
205.03494	0.4
221.04655	0.5
222.05328	0.6
233.06641	1.9
251.07780	0.3
255.03041	0.3
255.19681	0.7
271.02338	0.4
293.08780	1.8
300.02740	0.6
301.03461	0.4
329.03043	0.8
344.05469	0.5
345.05911	0.5
357.10052	1.5
369.09579	0.5
372.08273	0.7
372.12549	1.2
375.09485	0.2
387.10260	1.5
387.14761	4.5
388.15036	0.4
417.24899	17.7
418.25330	1.1
487.25516	0.3
505.10498	0.3
505.26404	0.8
505.33752	0.3
507.27985	0.3
549.29150	100.0
550.29523	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	549.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64974	1.2
59.01383	19.2
61.98824	5.6
65.23120	1.2
67.53603	1.5
67.94983	1.5
71.01385	4.2
72.99280	1.2
73.02950	1.3
83.01376	1.7
85.02953	5.1
86.70815	1.2
87.00875	1.6
93.03468	1.4
101.52826	1.2
111.00945	1.6
125.02456	2.6
137.02466	6.4
138.55750	1.2
150.03241	3.1
160.05295	14.1
161.05974	1.3
165.01949	3.0
169.48950	1.4
192.04289	16.7
245.08305	1.9
255.02800	1.3
273.18567	3.7
289.07190	8.1
300.02704	2.3
301.18066	25.5
302.18649	1.8
312.52069	1.6
315.01535	3.6
316.63986	1.2
330.03741	3.0
343.19125	2.8
345.06131	5.1
346.17020	1.2
435.23438	1.6
445.22192	10.7
463.23404	48.7
464.23535	3.8
475.01572	1.2
505.24454	100.0
506.24823	8.4
544.61938	1.5
550.24310	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	549.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.7
57.03444	3.2
58.00585	1.2
59.01382	100.0
60.01703	0.9
61.98822	3.8
69.03461	1.8
69.34576	7.9
71.01383	32.0
72.99300	2.8
73.02941	16.4
75.00880	1.2
77.05978	1.0
83.01405	6.9
83.05012	1.2
85.02955	15.2
86.00102	3.3
87.00874	4.1
89.02439	11.3
95.01376	3.5
97.02944	2.0
98.19952	1.9
99.00887	3.9
101.02442	23.1
107.05043	1.2
111.00906	2.1
113.02459	15.4
116.92832	1.1
119.03526	3.1
123.04478	1.7
125.02441	2.7
131.03470	1.0
131.05106	1.2
132.05782	2.4
133.06601	3.2
134.03719	2.3
137.02425	2.0
141.01968	4.5
143.03450	2.1
144.05779	1.3
146.07359	2.8
147.08130	2.8
149.04546	1.7
151.34909	1.0
153.05589	1.1
159.08102	2.7
161.04498	2.9
164.04799	2.1
164.98286	1.1
167.03502	2.6
176.04768	1.2
178.02794	1.4
178.06377	4.6
187.11322	1.2
193.05040	4.1
198.10568	1.3
199.11305	5.0
204.06412	0.9
209.19548	0.9
212.12115	1.0
213.12814	2.6
234.94402	1.0
253.15987	3.5
255.17561	3.4
265.15991	13.8
266.16229	1.9
267.17599	9.1
271.02472	1.7
271.16995	4.1
281.18805	1.0
283.06247	1.0
283.17001	11.8
285.18613	37.3
286.18915	3.2
299.19858	1.2
300.02652	1.1
315.01422	3.0
327.19540	1.4
330.03851	3.6
345.06189	8.3
415.21216	4.8
427.21252	13.3
428.22321	1.1
433.22321	9.6
443.24472	2.5
445.22275	35.1
446.22437	2.7
463.23093	1.4
475.23401	27.2
476.23520	1.5
487.23367	99.6
488.23727	9.9
489.34119	8.9
505.09732	1.6
505.24445	14.8
507.35358	2.8
533.97736	1.1
549.12256	1.7
549.23114	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
57.03449	5.4
58.00596	1.9
59.01379	67.8
61.98837	6.7
66.11770	0.9
69.64796	4.1
71.01378	30.5
71.05031	1.2
72.99303	2.9
73.02946	1.9
81.03456	1.7
83.01388	2.5
83.05016	6.1
85.02934	6.8
87.00876	13.3
89.02444	32.1
93.03447	2.9
95.01396	3.2
97.06577	1.4
99.00890	0.8
99.04520	1.7
99.92585	3.1
100.93360	1.2
101.02444	17.0
105.07102	1.6
107.05007	7.3
109.02931	1.1
110.82758	0.9
111.04445	1.0
113.02447	11.1
115.92074	28.5
116.92101	1.5
116.92853	14.5
119.03520	11.2
119.05015	22.4
119.05706	0.6
120.05839	4.5
121.06540	1.0
122.03661	1.0
123.00888	2.4
123.04498	2.2
124.01659	8.9
125.02463	6.4
126.02760	1.5
135.04498	3.6
135.11815	1.5
137.02464	2.7
137.06050	3.5
139.03961	3.6
141.08192	1.0
143.03485	1.4
145.06612	1.4
146.07327	1.0
149.04491	1.3
149.06085	0.8
151.00372	2.7
151.03995	1.3
152.01161	2.8
152.04829	2.5
159.08160	1.3
159.11789	1.3
161.02437	1.4
161.04611	1.3
161.09717	22.0
161.13377	11.9
163.03984	3.6
163.11247	2.5
166.02721	1.5
167.03493	6.9
168.03848	2.6
169.04053	2.1
169.10191	0.9
172.08946	0.9
173.04506	1.1
173.27454	0.8
175.03989	2.9
176.04749	2.2
177.01962	1.6
179.03502	2.8
179.05566	2.3
179.07065	1.3
179.10777	3.7
187.03909	1.2
187.09576	1.7
187.11270	34.6
188.11577	2.0
189.01979	1.0
189.09215	22.8
191.03467	3.8
191.05563	2.9
197.04497	1.6
198.04768	0.9
199.05025	1.0
203.03500	2.3
203.10606	2.1
204.04263	11.2
205.05038	2.5
205.12331	12.2
207.10202	4.9
210.97038	3.1
219.03171	1.6
219.06606	14.9
220.88872	1.0
228.76721	0.9
249.11281	10.5
265.10760	2.8
266.11090	2.3
267.12402	9.2
281.10315	1.0
295.11942	1.2
297.12350	1.3
299.11337	10.9
300.02744	0.9
341.06628	1.1
351.18109	9.6
354.07440	3.8
355.08090	1.6
369.09753	15.0
370.10300	1.1
371.99438	1.2
382.24969	0.9
387.23776	1.8
405.15335	4.2
427.13983	1.1
429.14575	5.1
440.49823	0.9
459.15607	1.2
487.06616	1.0
487.23001	1.2
505.09485	1.1
534.13837	6.0
540.21460	0.8
549.15930	60.2
549.23401	100.0
550.16217	6.7
550.23767	8.3
553.99683	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
58.00595	0.7
58.85139	0.4
59.01382	41.3
61.98835	2.5
67.76848	0.5
69.20457	4.5
71.01387	10.4
72.99302	2.0
73.02955	1.3
75.00864	0.6
79.95722	0.5
83.01402	1.1
84.41426	0.5
85.02957	5.4
88.98808	2.1
89.02451	10.4
95.01397	0.8
96.95996	0.9
101.02442	7.7
108.02161	0.8
109.02954	0.6
111.00893	0.9
113.02437	3.7
118.73750	0.4
119.03501	4.2
123.00871	0.7
123.04496	1.5
124.01659	0.7
125.02438	0.6
129.01942	1.0
131.03542	0.6
132.02168	1.6
133.02962	31.9
134.03746	0.9
135.04543	5.4
136.01689	1.1
137.02289	0.5
143.03485	0.5
145.02986	1.5
149.02469	0.9
149.06107	0.7
151.04117	0.6
152.01138	1.3
153.01851	0.7
159.04530	0.5
160.01723	0.5
161.02448	100.0
162.02777	2.9
163.11307	3.7
165.01855	0.6
166.02788	0.5
167.03497	2.5
175.04013	0.6
176.04546	0.5
177.05565	0.9
179.03497	2.9
180.57399	0.5
183.10283	1.7
188.04849	0.7
190.06250	0.5
191.03551	0.9
192.04294	0.5
193.05090	0.7
202.02721	0.6
207.06696	1.1
207.10251	9.2
209.04497	0.5
221.04695	0.6
258.01776	1.4
271.02484	1.4
284.84784	0.5
286.01239	1.9
287.01956	1.4
300.02811	1.2
301.03564	1.3
314.00650	1.1
315.01495	3.4
318.42017	0.5
329.03067	4.0
330.03799	3.7
344.05380	1.4
345.06079	6.9
346.06668	0.8
357.09900	1.4
372.12119	0.5
387.10931	2.9
387.16644	70.7
388.16934	3.8
436.36890	0.5
441.69244	0.4
463.25589	0.6
489.18005	1.0
505.09766	1.2
505.26477	0.8
531.18689	0.9
534.09521	0.6
549.19830	56.0
550.12695	0.7
550.20221	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	549.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83831	0.6
59.01379	7.8
61.98823	1.6
71.01379	3.8
71.54777	0.8
73.02962	2.0
83.01387	1.3
85.02962	2.5
87.00888	0.8
88.98824	2.2
89.02446	1.5
93.03473	1.1
95.01403	1.1
95.05010	0.6
96.95994	2.6
97.02949	0.7
99.92607	0.6
101.02448	1.8
108.02169	1.2
109.02981	1.3
110.00133	0.8
113.02493	1.4
116.92857	3.7
117.01955	1.1
119.03492	0.8
119.05042	1.3
121.02949	2.7
122.02521	0.6
122.03743	1.0
123.00902	2.1
124.01656	6.0
125.02460	2.6
129.01979	0.7
133.02975	0.7
135.04514	0.7
136.01665	41.8
137.02458	9.0
139.04002	2.5
145.03015	0.7
149.02434	0.8
151.00398	8.6
151.04007	57.3
152.01140	6.5
152.04671	1.7
153.01955	1.6
158.03796	0.5
159.04561	1.0
161.02431	1.3
161.04555	1.5
162.03186	0.9
163.04007	1.9
165.01912	1.3
166.02704	27.8
167.03473	1.8
173.04543	0.8
175.03967	2.7
175.07681	0.6
177.01967	3.5
177.05556	1.2
179.03494	1.0
181.05066	34.7
182.05383	1.6
184.03717	0.9
188.04680	0.7
191.03542	3.5
191.05498	1.2
192.04283	1.0
193.05104	1.6
203.03598	0.9
204.04297	2.2
205.05049	1.3
207.06529	0.8
219.06799	1.0
221.04645	2.1
221.08186	0.5
222.05310	4.5
223.13217	0.6
230.02260	0.9
242.20679	0.7
246.54446	0.6
258.01776	1.9
270.01755	0.9
271.02567	1.3
285.04364	0.6
286.01199	1.7
287.01904	1.1
299.09204	1.1
300.02661	3.0
301.03595	2.5
301.14371	0.7
327.08899	0.8
329.03036	8.8
329.10416	1.9
330.03763	1.7
341.06738	1.5
342.07565	0.7
344.05365	3.8
345.06137	2.2
346.06607	0.5
357.09772	14.2
358.10187	0.7
369.09534	0.7
372.08459	5.9
372.12314	7.2
373.12885	0.7
387.10806	8.9
387.14636	100.0
388.14825	6.2
505.10220	2.1
507.11206	0.8
534.10706	0.6
549.15240	6.1
549.29431	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14535	0.2
58.71331	0.2
59.01287	3.0
59.01611	0.5
61.98740	1.2
67.01846	0.3
71.01283	2.0
71.01704	0.3
71.55087	0.4
73.02848	0.6
83.01307	0.6
85.02842	1.2
87.00820	0.4
88.98706	0.4
89.02330	0.9
95.01279	1.1
96.95897	5.9
99.00797	0.3
99.92495	0.4
101.02332	1.0
103.05461	0.3
103.70863	0.3
107.01324	0.6
107.04960	0.3
108.02065	1.4
108.02774	0.5
109.02840	1.1
109.03485	0.3
111.00784	1.0
113.02335	0.6
115.92082	2.0
116.07793	0.3
116.92747	1.2
119.05005	1.3
121.02875	0.6
121.06515	0.3
122.03626	0.5
123.00884	10.2
123.04459	0.6
124.01669	9.7
125.02472	1.5
129.36554	0.3
133.02834	0.6
134.03696	0.3
135.00774	0.2
135.04530	1.8
136.01662	2.1
137.02448	28.6
137.03458	1.0
138.03239	11.0
138.04256	0.4
139.03893	0.6
145.02869	0.6
145.06508	0.5
147.04381	1.0
149.02394	1.5
149.04443	0.3
149.05962	0.7
150.03232	18.9
150.04367	0.7
151.00381	2.0
151.04012	3.6
152.01152	23.3
153.01677	1.4
159.04588	1.3
159.05565	0.3
160.05171	0.5
160.25760	0.2
161.02448	1.7
161.04453	0.3
161.05965	0.6
162.03256	1.4
163.04013	19.9
164.01003	0.8
164.04245	0.3
165.01733	0.3
166.02722	2.0
171.04454	0.3
173.02367	0.5
174.03185	0.5
175.03973	1.4
176.04610	0.5
177.01926	5.5
177.05533	2.6
178.02715	22.2
178.06250	1.7
179.03491	13.4
180.04262	1.6
187.03957	2.0
188.04784	3.6
189.05429	1.0
191.01982	0.3
191.03383	2.2
191.05475	1.1
191.07050	0.6
193.04959	0.5
197.61438	0.3
202.06209	0.4
203.03549	1.8
203.07089	2.0
204.04063	1.0
205.05029	2.4
206.05835	11.1
207.06180	0.3
210.97008	0.3
221.04462	0.5
221.08194	2.5
222.05185	0.8
250.61377	0.3
256.03616	0.7
271.06064	1.1
273.07608	0.3
286.08389	1.1
300.02710	0.6
311.05786	0.6
311.09137	0.3
315.01279	0.8
326.07712	0.3
330.03720	0.7
339.08746	0.5
341.06631	0.7
341.10278	0.8
342.07269	0.4
342.11041	3.9
343.11163	0.3
345.06180	1.3
351.18188	1.0
354.11014	0.9
355.11987	0.4
356.09097	0.3
357.09729	0.6
357.13419	2.6
369.13635	0.7
371.11343	9.3
372.12125	100.0
373.12433	4.6
387.14511	78.5
388.14841	4.3
463.25610	0.6
505.10220	0.4
505.26355	1.8
549.16528	0.9
549.31067	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06993	0.2
55.01878	3.1
57.03452	2.8
58.00597	4.9
59.01380	100.0
60.01711	0.6
60.99321	0.2
61.98828	0.6
65.00324	0.2
67.01892	0.4
68.99816	0.3
69.03455	0.4
71.01382	86.4
71.05038	0.2
72.01721	1.0
72.99311	5.4
73.02946	9.1
73.36472	0.2
75.00862	0.8
81.03468	0.6
83.01389	6.1
84.02161	0.9
85.02952	23.5
87.00873	3.6
89.02446	76.6
90.02789	0.7
91.01911	1.3
93.03461	0.5
95.01391	6.3
96.96021	1.2
97.02946	0.9
97.83295	0.2
99.00883	4.0
99.04542	0.3
101.02444	56.4
102.02776	0.6
103.00480	0.2
105.03417	0.2
108.02158	0.4
109.02944	0.6
111.00903	0.2
113.02451	35.1
114.02785	0.4
115.04002	0.2
117.02008	0.2
119.01406	7.9
119.03503	30.6
119.04980	0.8
120.03817	0.2
121.02958	8.4
123.00888	0.5
123.04526	0.4
124.01653	0.9
125.02449	1.6
129.01953	0.5
131.03505	3.0
131.05013	0.3
132.03964	0.2
133.06641	1.0
135.04604	0.2
136.01700	0.6
137.02446	11.4
139.00331	0.2
139.04019	1.1
141.03461	0.2
143.03505	3.9
143.05026	3.0
145.02980	0.7
147.04488	1.5
149.02435	4.9
149.04500	1.8
151.00424	0.2
151.04025	0.6
152.01152	0.7
159.02997	3.3
159.04335	0.2
161.02426	0.4
161.04567	13.5
161.06075	2.7
163.03963	0.4
164.04724	0.3
164.98260	0.2
165.01883	0.2
166.02812	0.2
167.03592	0.2
173.06067	1.3
174.03230	0.2
175.04039	1.0
176.04881	0.1
179.05609	2.4
181.05051	0.2
187.62769	0.1
189.05577	0.4
191.03418	0.6
191.07130	0.3
193.01410	0.9
193.05092	0.7
194.02103	0.2
203.07082	0.2
204.04292	0.3
205.05095	0.3
217.05060	0.3
219.06700	0.3
221.04507	0.3
221.08171	1.1
222.05289	0.6
223.06088	0.4
224.06548	0.2
241.00256	1.2
242.42717	0.2
265.07178	0.7
270.04288	0.2
279.10358	0.2
285.04059	0.3
293.08173	0.2
298.17255	0.2
300.02728	0.3
301.03442	0.2
307.66907	0.2
315.01440	1.1
322.08096	0.3
327.21823	0.5
330.03925	0.9
337.10825	0.9
341.02783	0.2
341.06650	0.2
345.06165	2.1
346.06320	0.2
357.13431	0.3
372.08472	1.2
387.10962	2.1
387.14584	31.4
388.10742	0.2
388.14972	2.4
429.11887	0.6
505.26498	0.2
549.19293	1.9
549.29797	0.7
550.19318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01591	0.4
57.03461	0.5
59.01378	5.5
61.98835	1.1
69.03480	1.1
69.23232	4.1
71.01385	3.8
71.41734	0.5
73.02940	2.8
81.90910	0.6
83.01392	1.1
85.02992	1.4
88.98836	0.9
89.02445	2.6
89.99202	0.6
95.01374	3.5
96.96001	1.2
97.02958	0.7
99.00916	0.9
99.92608	0.7
101.02441	2.6
107.01424	0.8
107.05019	0.5
108.02197	1.1
109.03011	1.3
111.00906	1.4
113.02475	1.2
115.92075	5.9
116.92186	0.5
116.92853	2.7
119.05024	15.9
121.02960	1.0
122.03798	0.7
123.00884	7.9
123.04547	0.9
124.01658	33.3
125.02471	5.4
131.03482	0.9
133.06688	0.5
135.04465	0.9
137.02466	3.1
137.73167	0.5
138.03261	0.6
139.00337	0.8
139.04008	16.9
147.04547	1.2
149.02470	0.6
149.04558	1.4
151.00374	4.6
151.04027	1.3
152.01149	38.1
153.01979	1.3
161.02441	1.7
161.04584	1.9
163.03995	16.1
164.04358	0.7
165.01958	1.6
166.02707	4.4
166.99913	0.5
167.03508	0.8
168.00595	3.5
175.03961	2.8
176.04782	1.5
177.01878	4.3
177.05528	0.8
178.02704	1.1
179.03502	2.7
181.01469	2.0
187.04051	1.5
189.01961	1.4
191.03499	22.1
191.05424	1.3
192.04282	6.1
193.01390	0.6
193.05043	2.0
194.02194	2.0
203.03531	3.3
204.04254	13.2
205.05046	4.7
207.03024	1.1
207.06635	1.9
219.02977	0.8
219.06606	4.8
221.04530	14.1
221.06583	1.0
222.05309	30.0
223.05782	0.7
237.07642	7.0
300.02753	1.3
325.07089	0.5
341.06628	7.9
342.07373	3.8
354.07391	1.4
357.09790	2.5
369.09772	2.1
371.07645	2.0
372.08463	47.7
373.08823	2.6
386.09363	0.7
387.10794	100.0
388.11118	5.9
429.11859	2.4
505.26578	0.7
549.16022	34.7
549.28967	2.5
550.16742	3.4
550.31000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03448	0.4
58.00578	1.3
59.01379	33.8
61.53234	0.3
64.42551	0.4
65.00335	0.6
68.99799	0.5
70.29513	0.6
70.29891	1.1
71.01379	14.2
72.99312	1.8
73.02930	0.5
80.71053	0.3
80.83875	0.3
83.01383	1.3
85.02943	4.0
87.00875	0.5
89.02446	12.7
91.11848	0.3
95.01373	1.6
96.53148	0.3
101.02439	7.7
106.04231	0.8
107.01389	0.9
108.02152	1.0
108.99274	0.4
110.00074	3.1
111.00895	1.1
113.02447	3.8
119.03497	3.2
119.05009	0.3
123.00863	2.4
124.01662	9.6
125.02461	2.3
136.01660	0.8
136.98778	0.6
137.02460	1.9
137.99600	1.4
139.00397	1.9
139.04008	4.6
141.37775	0.3
143.04980	0.4
148.01662	0.8
148.05281	2.2
149.61336	0.3
149.99538	0.7
151.00388	2.7
151.04019	1.6
152.01151	3.1
159.04524	0.8
160.05254	1.1
161.02425	3.7
161.04601	0.4
163.04018	1.0
164.98274	2.4
165.01862	0.4
165.99068	5.1
166.02699	1.3
166.99797	1.3
175.00439	0.4
175.03996	7.4
176.04768	5.4
177.01939	1.3
177.99095	0.5
178.02707	1.0
179.03479	0.7
179.05623	0.4
186.03226	0.5
187.03957	1.6
188.04651	0.5
189.01971	2.2
191.03473	4.2
193.98448	0.4
194.02142	0.8
203.03468	4.1
204.04260	22.7
205.04982	3.2
206.05646	0.4
208.03708	0.6
219.02965	1.6
219.06599	24.1
220.06902	0.9
221.04584	0.4
221.56303	0.3
230.02167	0.5
231.02827	0.3
236.03268	1.1
242.02068	0.6
243.02873	0.7
255.03012	0.5
257.04480	0.3
258.01535	0.8
259.02271	0.7
270.01672	0.7
271.02457	0.8
285.04053	0.6
286.01160	0.6
287.01868	1.8
301.03546	2.6
313.03873	0.4
314.00543	0.6
315.01434	6.3
315.04608	0.3
329.02997	9.1
330.03760	15.2
331.04175	0.8
337.06976	0.5
339.01358	0.4
341.06458	1.9
344.05325	6.5
345.06116	36.7
346.06354	1.9
353.06586	0.8
354.07413	5.5
355.08044	2.0
369.09772	25.6
370.10071	1.3
372.08356	0.9
373.09250	2.1
399.12939	0.5
401.08759	0.4
489.10400	1.1
534.13782	9.5
535.13708	0.7
549.16486	100.0
550.16937	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	549.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
56.27673	0.2
57.03450	0.8
58.00599	1.6
59.01380	34.7
60.01710	0.3
61.98832	1.8
64.01305	0.2
65.00328	1.3
67.01902	0.3
68.99831	0.4
69.03462	0.4
70.48801	0.2
71.01383	19.2
72.99314	2.1
73.02923	1.0
74.20935	0.2
75.00884	0.3
81.03387	0.2
82.04198	0.2
83.01387	1.4
85.02953	5.1
87.00896	0.9
88.98817	0.4
89.02445	14.3
91.01873	0.2
92.99813	0.3
93.03481	0.8
95.01391	2.5
96.99340	0.3
97.02970	0.4
98.20698	0.3
99.00878	0.5
101.02444	9.2
106.04286	0.6
107.01389	1.0
107.05139	0.2
108.02195	1.4
108.99358	0.4
109.02979	0.7
110.00098	7.3
111.00884	2.2
113.02450	5.3
119.03500	4.5
119.04961	0.4
121.02966	1.4
122.03731	0.4
123.00887	3.5
123.04509	0.6
124.01667	10.8
124.98817	0.2
125.02461	3.3
129.02031	0.2
131.03543	0.4
131.05025	0.4
132.05862	0.3
133.03006	0.7
134.00169	0.2
134.03821	0.3
135.04546	0.9
136.01624	1.1
136.98814	1.8
137.02454	2.6
137.99580	3.1
138.00525	0.3
139.00368	4.3
139.04024	4.7
140.01189	0.2
140.04301	0.2
141.99200	0.4
143.03542	0.6
143.05052	0.8
145.02969	0.4
146.03754	0.3
147.04543	0.7
148.01685	1.6
148.05304	2.6
149.02472	1.3
149.04591	0.4
149.06035	0.4
149.99583	1.4
150.03337	0.2
151.00368	3.2
151.03995	1.9
152.01154	3.5
153.01987	0.3
153.05594	1.2
158.03790	0.3
159.04482	1.0
160.05315	1.3
161.02451	5.2
161.04623	0.7
161.06049	0.4
162.03238	0.3
163.00330	0.3
163.03992	2.9
164.01228	0.2
164.98282	5.6
164.99632	0.3
165.02014	0.7
165.05418	0.3
165.99077	10.2
166.02696	1.2
166.99860	2.5
167.03473	1.1
168.00674	0.6
171.04547	0.3
174.03172	0.3
175.00475	1.0
175.03999	7.4
175.07558	0.2
176.04776	5.9
177.01932	1.4
177.05450	0.3
177.99088	1.1
178.02679	1.1
178.99861	0.3
179.03546	1.0
179.05672	0.7
180.04271	0.3
186.03249	0.3
187.04015	1.9
188.04808	0.3
189.01927	3.4
189.05675	0.2
190.02664	0.5
191.01814	0.3
191.03502	5.6
192.00693	0.8
193.01456	0.6
193.98586	0.4
194.02188	1.1
194.99384	0.8
198.03305	0.4
199.04022	0.5
201.05669	0.3
202.02774	0.5
203.03490	4.2
203.05266	0.2
204.04274	23.5
205.05028	3.8
205.98659	0.3
206.05878	0.5
208.03734	1.1
213.05638	0.3
214.00954	0.2
214.02646	1.1
215.03613	0.7
217.05104	0.4
219.03439	2.5
219.06602	24.4
220.07120	0.5
221.01042	0.3
221.04596	0.4
222.05446	1.0
223.06218	0.4
226.02794	0.3
227.03613	0.6
229.05020	0.2
230.02324	0.7
231.03075	0.9
236.03250	1.3
237.07817	0.4
241.01532	0.4
242.02194	2.1
243.02977	1.6
245.04620	0.4
254.02098	0.3
255.02933	1.1
256.03842	0.5
257.04724	0.9
258.01688	2.4
259.02435	1.0
269.00983	0.5
270.01685	1.5
271.02509	2.0
272.03217	0.3
273.04050	1.0
280.84592	0.2
283.02408	0.4
284.03403	0.6
285.00586	0.7
285.04156	1.2
286.01160	2.2
287.02002	4.2
287.05194	0.4
297.04214	0.2
297.07852	0.2
298.01129	0.3
299.02097	0.5
299.05502	0.4
300.02866	1.4
301.03525	5.4
301.06860	0.4
302.03909	0.3
309.07584	0.3
310.08527	0.4
311.02020	0.3
313.03748	0.6
313.07285	0.3
314.00854	0.9
315.01456	14.1
316.02090	0.6
317.06607	0.2
324.06396	0.5
325.07260	0.4
326.08038	0.3
328.02313	0.3
329.03018	18.2
330.03784	28.0
331.04196	1.3
337.07443	0.7
339.08801	0.5
341.06567	2.0
343.04691	0.4
344.05338	12.5
345.06134	70.5
346.06467	3.1
346.10168	0.3
353.06964	0.8
354.07413	5.9
355.08145	2.0
356.08957	0.3
357.06314	0.9
369.09790	26.7
370.10205	1.3
372.08774	0.8
373.09268	1.7
383.09924	0.3
387.14883	0.7
399.12845	0.3
429.08542	0.3
489.10480	2.2
505.10043	0.4
507.11606	0.3
534.13806	10.2
535.14478	0.8
549.16669	100.0
550.17273	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	549.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49491	0.7
59.01379	10.7
60.99310	1.6
61.98820	3.4
63.02393	3.3
65.00320	8.6
67.01879	1.1
71.01370	6.0
71.55344	1.3
73.02952	2.2
83.01391	5.9
83.92918	0.8
85.02946	3.3
87.00883	1.4
88.98803	13.2
89.02434	4.1
93.03453	1.9
95.15676	0.7
96.96008	3.7
97.02975	0.9
101.02439	4.4
106.06621	2.1
107.00716	1.4
107.01389	14.4
108.02185	6.6
109.02940	1.4
111.00885	6.4
113.02397	1.0
115.92081	6.5
116.92871	3.5
117.03481	0.8
119.03516	0.9
119.05008	2.1
123.00891	3.5
123.04510	3.2
124.01657	4.8
125.02452	5.7
125.07611	0.9
134.03737	16.4
135.04507	1.8
136.01666	4.6
137.02435	6.8
138.03236	1.6
139.00333	2.5
139.03975	1.8
145.02924	1.0
149.06090	14.5
150.03229	2.9
150.05499	1.7
151.00363	49.3
151.03954	2.3
151.05934	1.3
152.01163	8.0
153.01936	7.5
154.99773	1.0
161.02440	1.6
161.04643	1.1
163.03983	3.1
164.01120	7.0
165.01881	3.4
166.02650	1.3
167.03499	1.0
169.01411	1.2
173.00894	3.0
173.04507	1.1
175.03880	1.1
176.04912	0.9
177.01941	9.4
178.02689	2.5
179.03450	3.5
191.03473	1.7
191.05556	2.3
193.05020	1.1
194.02249	2.0
196.00102	3.6
203.03470	1.2
204.04234	2.2
205.05006	1.8
206.05763	1.4
219.06667	0.8
221.04572	1.2
222.05246	3.0
237.07596	0.9
243.03053	0.9
256.51785	0.8
286.04828	2.6
300.02759	2.5
301.07159	100.0
302.07391	4.4
305.25992	0.8
341.06409	1.0
342.07394	3.0
345.06064	2.1
357.09634	1.0
359.36658	1.0
371.07556	1.2
371.11707	1.0
372.08197	11.9
372.12177	10.1
373.08026	1.1
375.20081	1.4
387.10593	16.9
387.14667	7.5
388.10608	1.3
411.10754	1.3
474.16458	0.8
505.13611	37.9
505.26135	3.7
506.13876	2.5
549.15710	9.6
549.30652	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98562	0.1
59.01382	1.5
59.37859	0.1
59.53451	0.2
61.98801	0.6
65.00300	0.6
69.21221	1.6
69.21512	0.1
71.01395	1.1
74.84147	0.2
85.02924	0.3
89.02452	0.9
92.99805	0.2
93.03432	0.3
95.01356	0.2
96.99277	0.2
101.02442	0.4
110.00098	1.9
111.00853	0.6
111.13886	0.2
113.02403	0.4
119.03479	0.3
120.99306	0.3
121.02914	0.5
135.04410	0.2
136.98785	1.1
137.99588	1.2
139.00369	3.7
139.01422	0.3
139.03992	1.3
142.76970	0.2
143.04921	0.3
145.02931	0.2
146.32219	0.2
147.00824	0.2
147.04472	0.2
148.01653	0.2
149.02434	6.8
149.03613	0.4
149.99535	1.0
150.65012	0.2
151.00378	0.3
153.01881	0.7
159.04497	0.5
161.02425	0.3
164.98288	9.5
165.99078	4.6
166.99765	0.3
171.04504	1.0
173.01030	0.2
173.02455	0.3
175.00368	2.6
175.03960	0.5
177.99081	1.5
178.99844	1.0
180.00658	1.0
181.01376	0.4
187.04027	1.1
189.01920	0.7
191.03548	0.2
192.97748	0.3
193.98534	0.8
198.03166	0.2
199.04018	1.7
201.01892	0.5
203.03433	0.7
203.06996	0.2
205.98538	1.1
208.00102	0.2
213.01796	0.3
215.03500	2.5
217.01463	0.3
219.02898	0.5
225.01926	0.5
226.02583	0.2
227.03430	0.4
229.01309	0.4
230.74915	0.2
231.03014	1.5
241.01370	0.4
242.02200	0.3
243.02948	4.4
245.00887	0.6
247.02443	0.3
258.01697	0.4
259.02466	2.2
269.00897	0.4
270.01630	0.3
271.02466	1.8
286.01126	0.6
287.01965	9.5
288.02286	0.3
300.02716	0.4
301.03452	0.8
314.00720	0.3
315.01453	60.4
316.01749	2.8
323.80008	0.2
329.03027	0.9
330.03787	58.2
331.04102	2.6
344.05313	0.6
345.06134	100.0
346.06464	4.9
387.14450	0.4
549.12463	0.3
549.20111	0.6
549.30157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
59.01382	1.5
61.98798	0.8
65.00307	0.9
67.76157	0.2
69.56242	0.8
69.56653	0.8
71.01360	0.8
71.14635	0.2
73.02935	0.4
84.69073	0.2
85.02971	1.4
89.02451	0.4
92.99818	0.2
93.03409	0.4
96.96003	1.7
97.02940	0.2
101.02417	0.7
109.02934	0.3
110.00092	2.2
111.00840	0.8
120.99349	0.3
121.02926	0.8
123.00833	0.4
123.04512	0.3
124.01625	0.2
125.02413	0.3
129.01913	0.4
134.03679	0.5
135.04541	0.2
136.98773	1.2
137.99567	1.2
139.00363	3.7
139.04031	1.6
141.10973	0.2
143.04842	0.2
145.02910	0.6
149.02432	6.1
149.99605	1.3
151.00275	0.4
152.01103	0.3
153.01918	0.8
157.04192	0.2
159.04529	0.4
161.02354	0.5
163.04018	0.4
164.98291	10.5
165.99062	4.9
166.99800	0.3
167.03462	0.9
170.03630	0.3
171.04501	1.1
175.00369	2.4
177.99089	1.6
178.99803	0.6
180.00592	0.7
185.02411	0.3
187.03966	1.0
189.01915	0.9
191.03526	0.5
192.97635	0.3
193.98505	0.9
199.04010	2.1
201.01894	0.5
202.02597	0.5
203.03418	0.7
205.98511	1.0
213.01875	0.3
214.02617	0.4
215.03452	2.3
217.01379	0.4
219.03041	0.6
222.05099	0.2
225.01923	0.4
227.03429	0.5
227.73849	0.3
229.01372	0.7
230.02174	0.5
230.12772	0.3
231.03036	1.2
241.01471	0.5
242.02138	0.6
243.02977	4.4
245.00778	0.7
247.02377	0.4
257.01117	0.3
258.01746	1.8
259.02487	1.6
269.00900	0.4
270.01614	0.5
271.02438	2.5
284.03281	0.3
286.01166	3.3
287.01965	7.6
288.02155	0.3
300.02707	1.1
301.03522	1.9
314.00674	2.0
315.01447	53.4
316.01846	2.9
329.02985	4.8
330.03790	59.8
331.04138	3.5
343.04465	0.3
344.05426	1.4
345.06131	100.0
346.06451	5.7
387.06866	0.4
474.07895	0.6
481.69223	0.4
489.10370	4.8
490.10611	0.6
505.10239	0.3
505.26614	1.2
534.10162	1.0
549.12396	3.1
549.19794	0.2
549.30341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.5
61.98821	1.3
65.00315	1.1
69.76679	3.3
70.60492	0.6
71.01354	1.0
83.01380	0.8
84.95103	0.8
91.27862	0.6
92.85767	0.6
96.96013	28.0
96.96960	1.2
103.80180	0.6
107.01385	2.2
108.02174	1.7
109.02934	1.6
113.02482	0.7
116.92876	3.9
121.02952	1.1
124.01791	0.6
135.00838	1.3
141.18896	0.6
148.01666	2.4
151.00351	8.9
163.00389	1.9
164.01143	0.7
172.10463	0.5
178.99852	3.7
185.06314	0.6
211.04076	1.1
226.02612	1.2
227.03496	3.7
243.02969	8.5
245.04529	0.8
254.02234	1.3
255.02979	26.2
256.03497	1.0
271.02466	57.2
272.02933	3.7
283.02567	1.3
299.01929	1.7
300.02744	100.0
301.03445	29.0
302.03912	1.1
386.19016	0.7
413.95877	0.6
463.08752	7.9
486.11716	0.8
505.09866	77.3
506.10178	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	549.1249
Annotation	Syringetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.53733	0.4
59.01381	1.1
61.98843	0.5
65.00333	1.2
69.63555	2.5
83.75399	0.5
85.02958	1.1
96.96046	1.3
98.20026	0.8
108.02213	0.5
109.86803	0.4
110.00089	4.3
123.04505	0.4
134.03763	0.5
136.01649	0.5
136.98779	1.0
137.99590	0.5
139.00291	0.8
145.02930	0.5
148.01628	2.7
149.02437	0.9
149.99631	0.8
151.00354	1.1
151.04027	1.2
152.01161	0.7
153.05553	2.3
158.03699	0.5
161.02475	0.5
163.04018	4.1
164.98283	4.8
165.99080	9.4
166.02721	0.4
166.99667	0.6
170.03824	0.5
171.04588	0.8
174.03181	0.8
177.01952	0.7
177.99075	1.3
178.99855	1.4
181.01434	0.6
181.05052	0.6
185.02423	0.6
186.03221	1.9
198.03221	0.9
202.02686	5.2
213.01923	0.8
214.02724	2.8
215.03427	1.0
218.02258	0.6
229.01421	1.0
230.02217	8.5
231.02939	0.5
241.01387	0.6
242.02254	4.3
243.02988	1.2
245.01036	0.5
245.04504	0.9
255.03008	0.7
257.04553	1.3
258.01675	18.6
259.02328	3.5
270.01663	7.4
271.02466	1.8
273.04031	2.6
285.00778	0.7
285.03973	4.3
286.01187	25.5
287.01953	17.3
287.05212	0.7
288.02350	0.6
300.02777	1.7
301.03537	19.5
301.14417	0.5
302.04276	7.4
314.00690	9.6
315.01462	6.3
329.03012	100.0
330.03735	31.5
331.04178	1.3
343.04514	0.9
344.05353	48.2
345.06100	46.8
345.12219	0.7
346.06458	2.4
387.10837	1.3
387.14606	1.5
394.30801	0.5
507.11597	3.5
508.11609	0.8
534.10284	3.0
549.12463	73.6
550.12878	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	549.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07420	1.0
67.81221	1.0
69.75847	6.0
77.47169	1.0
78.37764	1.0
89.78709	1.2
90.64704	1.1
98.20528	1.1
107.01366	1.6
109.02957	1.4
109.40855	1.3
113.40685	1.1
121.02973	2.0
121.96108	1.0
134.10811	0.9
135.00897	1.2
147.88809	1.1
151.00323	7.5
163.00352	1.8
166.06912	1.2
178.99887	5.4
199.04010	1.1
226.02710	1.9
227.03490	3.1
243.02933	10.3
254.02243	3.4
255.02986	27.1
256.03400	1.7
271.02457	62.0
272.02982	4.1
291.72751	1.0
299.02045	1.7
300.02734	100.0
301.03452	28.8
302.03989	1.1
380.30466	1.3
462.16656	1.2
463.08884	5.3
505.09857	74.5
506.10236	5.6
532.83929	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.8
61.98827	4.2
65.00320	1.4
69.35977	4.9
71.01382	2.8
73.02958	0.8
83.01371	1.2
85.02927	1.4
89.02430	1.6
101.02429	1.7
107.01369	2.6
108.02160	1.6
108.37803	0.6
109.02975	1.4
113.02454	1.4
117.87676	0.7
119.03453	0.9
121.02954	2.2
135.03026	1.0
136.01662	4.5
137.02466	0.8
148.01717	1.5
151.00366	10.3
151.04008	6.9
155.23038	0.7
161.04521	0.6
163.00377	2.1
166.02696	5.1
175.03984	1.0
178.99879	4.0
181.05055	6.9
192.00563	0.7
199.03961	0.9
200.69872	0.6
211.06116	0.9
215.03378	0.7
226.02579	1.1
227.03484	2.5
229.04826	0.7
243.02983	9.5
244.03333	0.7
254.02180	1.8
255.02982	29.1
256.03366	1.8
271.02460	60.8
272.02902	3.6
283.02469	1.2
299.02045	2.1
300.02728	100.0
301.03445	32.6
302.03668	1.0
319.67151	0.7
324.06290	0.8
339.08643	1.1
357.09833	1.5
358.32770	0.7
360.74365	0.7
369.09811	0.9
372.12015	0.8
387.14471	15.5
463.08743	7.2
489.27094	1.0
505.09863	77.7
506.10223	6.6
549.28796	1.2
570.15710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
57.03452	16.4
59.01381	93.6
61.98822	5.2
69.03490	1.7
69.37696	14.0
71.01382	28.1
73.02946	5.8
75.07619	1.7
81.03482	2.4
82.95432	5.9
83.01392	6.4
84.95139	5.6
85.02953	51.7
86.03289	8.1
87.00867	10.2
88.98805	8.7
89.02452	9.7
96.96011	3.8
98.06107	2.0
98.19932	4.2
99.00899	5.1
101.02457	15.7
107.01389	3.0
108.02177	2.4
109.03001	2.9
111.00894	5.6
112.07716	2.9
113.02456	15.5
114.05632	4.6
116.92840	7.5
119.03531	2.9
122.02477	2.6
125.02468	5.6
129.01939	6.1
134.03746	1.9
135.04497	3.1
137.02415	2.4
143.03482	2.6
147.02864	4.2
148.03328	2.2
149.02414	4.2
154.08752	2.4
155.03476	3.6
160.04041	6.8
161.02484	2.8
161.04529	5.8
167.03542	4.6
170.11884	29.8
179.05554	3.3
191.01962	23.0
191.05573	2.1
192.02310	5.1
193.01456	13.6
193.05078	2.3
209.03024	6.6
210.03375	2.3
218.88246	1.7
229.09843	2.3
239.05612	3.4
253.09814	3.8
300.21704	4.5
308.05502	2.0
331.96301	2.1
338.47678	2.1
341.86829	1.9
349.18671	18.0
350.19073	19.1
373.18637	5.5
381.10770	4.8
385.07669	2.4
386.08090	8.1
426.24820	6.4
444.26013	100.0
445.26437	7.5
459.39096	2.0
462.27087	40.2
504.27731	3.4
510.28702	2.2
531.16199	7.4
548.21448	6.1
549.17175	25.4
549.25287	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	547.247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52531	41.1
59.01377	100.0
61.98824	82.4
67.82562	47.3
71.54602	79.3
220.29280	47.8
251.20280	56.4
301.07993	48.3
340.10571	48.0
433.89746	53.1
523.89099	58.3
547.34503	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64841	0.6
55.53694	0.7
59.01380	43.4
61.98830	100.0
69.48399	3.5
71.01381	7.5
72.99287	0.8
73.02962	3.6
83.01408	1.6
85.02961	2.6
89.02452	7.0
93.03455	1.3
99.00921	0.9
101.02446	7.5
113.02434	4.0
116.92847	4.4
119.03539	3.5
124.32610	0.6
133.69083	0.7
134.78104	0.7
143.03500	1.1
148.64365	0.7
149.04572	2.0
161.04578	2.9
173.04591	1.5
179.05661	2.8
184.55373	0.6
189.01799	0.7
191.05428	1.0
217.01450	0.9
221.06729	0.7
242.67702	0.6
261.03397	0.7
315.93561	0.6
381.22998	1.9
399.23904	4.5
409.45743	0.7
441.25293	2.3
450.74713	0.6
488.56290	0.8
505.10034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01381	85.9
61.98822	1.0
63.14985	0.8
63.89114	0.8
69.31185	4.6
71.01385	11.6
72.99300	0.7
73.02940	6.4
73.75253	0.8
82.40855	0.7
83.01369	1.9
85.02959	5.3
87.00860	2.5
87.19327	0.8
88.98814	2.2
89.02442	5.3
93.03443	1.3
96.96001	2.6
97.06581	1.0
99.00856	2.1
99.04510	0.8
101.02435	10.9
109.02945	2.6
113.02431	5.2
114.93394	2.5
119.03478	2.8
120.73055	0.7
131.03566	0.9
149.04517	1.0
149.80556	0.7
155.03555	0.8
155.38390	0.8
161.04510	1.3
163.07567	0.8
165.02084	1.0
173.04515	1.8
187.07658	4.4
191.05594	3.3
202.06378	1.7
217.08730	0.7
231.10265	7.6
313.18564	0.8
329.17557	2.7
373.16235	1.9
382.00006	0.7
383.20670	1.8
385.78143	0.7
401.21933	2.8
443.22656	1.9
461.24060	3.1
485.24005	3.3
503.24985	100.0
504.25272	8.8
547.21539	2.7
547.28839	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	547.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.8
59.01377	100.0
60.99300	3.9
61.98825	11.0
69.52786	9.6
71.01381	18.0
73.02950	10.0
83.01385	3.5
83.05029	2.0
85.02947	8.4
85.19794	1.3
87.00891	5.0
88.98808	23.2
89.02435	12.6
90.98610	1.7
93.03455	3.3
96.96026	7.8
97.06609	3.1
98.19856	1.5
99.00917	2.3
101.02452	13.9
109.02974	5.8
111.16712	1.1
113.02421	7.0
114.93416	3.8
115.35155	1.2
119.03495	6.1
119.05013	3.1
125.02477	2.4
131.03508	1.6
135.04492	2.5
135.06619	3.1
136.01649	6.0
137.02400	2.9
138.16214	1.3
139.88098	1.3
143.03528	1.3
149.04562	2.7
151.03998	5.6
161.04576	4.4
161.09688	3.9
161.13358	1.5
163.04094	1.3
173.04535	3.7
177.01788	1.9
177.26208	1.3
179.05779	1.8
187.07626	5.7
187.11258	5.0
189.01917	1.8
189.09215	4.9
190.95772	1.6
191.04085	1.5
191.05611	7.9
201.61253	1.3
202.06345	3.0
203.10901	1.6
205.12206	2.0
217.01378	2.1
223.13438	2.8
231.10255	15.0
249.11333	2.6
267.12311	2.3
295.58282	1.2
297.11716	3.2
329.17487	6.0
341.06577	4.9
343.11728	6.7
373.16275	2.1
383.20541	1.5
401.21759	2.8
443.22723	2.9
461.23773	3.6
485.23608	4.4
503.24973	94.0
504.25449	6.9
547.23822	35.4
548.24268	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	547.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22057	0.8
57.03446	1.6
58.00605	0.8
59.01378	33.0
59.24031	0.8
59.98497	0.7
61.98820	1.5
62.01531	0.7
69.03448	0.7
69.78752	0.9
69.79016	3.9
71.01380	18.3
71.01776	1.0
72.99302	3.7
73.02937	2.7
73.24600	0.7
75.00871	34.5
82.59848	0.8
83.01389	2.6
85.02937	4.7
87.00870	2.7
89.01932	1.5
89.02448	21.3
93.03455	0.9
93.38162	0.8
95.01399	1.4
96.95979	6.3
97.02936	0.9
98.19949	1.0
99.00922	1.3
99.04534	1.3
99.28114	0.9
101.02439	8.6
112.98747	0.7
113.02451	4.6
117.01930	2.9
119.03517	6.8
121.55608	0.7
125.02422	2.0
135.02997	100.0
135.11810	0.7
136.01662	1.1
136.03352	1.1
137.02400	1.2
143.03491	1.8
148.05318	2.3
151.03978	1.7
161.04555	2.1
161.13361	3.8
163.07687	1.0
163.11218	0.8
165.01886	1.7
167.03513	0.8
179.03551	0.9
179.05632	5.0
179.10759	0.9
187.11279	1.6
191.05579	5.5
205.12341	11.0
221.06607	1.1
223.13419	4.8
243.33441	0.8
249.11377	8.4
249.44730	0.8
267.12457	4.3
297.08301	8.0
323.09833	2.4
343.11954	2.5
367.13760	2.4
385.18735	1.4
429.17728	5.0
487.18277	1.9
547.20313	51.2
547.27557	5.4
548.20660	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	547.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
56.34826	0.1
57.03441	0.4
58.00576	0.2
59.01377	3.2
61.78266	0.1
61.98822	0.5
65.00324	0.2
65.03942	0.2
67.01884	0.3
68.99805	0.5
69.03454	1.0
69.20418	0.8
69.20840	0.5
70.27970	0.1
71.01381	2.3
71.04998	0.2
73.02921	0.2
77.03978	0.1
79.05505	0.2
81.03458	1.7
83.01385	0.9
84.02165	9.2
85.02497	0.1
85.02930	0.7
87.00875	0.1
89.02450	2.5
91.05573	0.3
93.03457	2.0
95.01378	0.9
95.05006	0.9
97.02952	1.5
99.04507	1.5
101.02441	1.1
101.12096	0.1
102.04717	0.1
103.05527	0.7
105.03458	0.2
105.07084	0.2
107.01367	0.2
107.05009	0.5
108.02171	12.8
109.02962	4.1
111.04495	0.5
113.02435	1.0
115.05540	0.2
117.03458	1.0
117.07121	0.3
119.03516	0.8
119.05015	1.1
121.02953	10.5
121.06541	0.3
122.03806	1.3
123.00862	0.8
123.04510	1.6
124.01614	0.3
125.02446	6.6
126.02795	0.1
129.07120	0.2
130.04207	0.2
131.05034	0.9
133.02953	0.6
133.06569	0.5
134.03706	0.5
135.00880	0.5
135.04530	1.5
135.08128	0.5
136.01660	7.9
136.05296	0.4
137.02443	5.4
137.06052	0.2
138.03156	0.2
139.03954	0.5
143.05014	0.4
145.02959	0.6
145.06569	0.4
146.03738	0.4
147.04515	3.4
147.08104	0.9
148.01624	0.2
148.05319	1.1
149.02448	1.9
149.06065	0.6
150.03221	2.5
151.03999	1.2
152.01213	0.1
153.09189	0.3
158.03714	0.3
159.04536	1.0
160.05269	0.3
161.02449	1.9
161.04716	0.2
161.06061	3.5
162.03246	1.7
162.06860	3.2
163.04007	2.7
163.07635	2.5
164.04765	0.6
165.01921	4.0
166.02454	0.1
167.03490	10.4
168.03981	0.2
171.04486	0.4
172.05223	0.3
173.04694	0.2
173.06020	0.9
174.03195	0.6
175.03995	6.1
175.07561	0.2
176.04797	2.1
177.01936	0.3
177.05507	1.0
177.09181	0.6
178.02661	0.7
179.03516	0.8
179.05702	0.3
179.07117	1.6
182.02193	1.1
187.03987	1.0
188.04692	0.6
189.01988	0.3
189.03816	0.1
189.05566	3.4
190.06342	6.8
191.03531	2.9
191.05525	0.6
191.07120	3.9
192.04123	0.2
192.07446	0.2
193.05031	0.8
193.08682	0.6
197.04549	3.0
201.05478	0.3
202.06377	0.7
203.03508	0.3
203.07094	0.2
204.04279	2.8
205.04990	0.7
205.08693	1.9
208.03703	0.2
216.04256	0.6
217.08698	0.5
219.06598	4.7
220.07376	2.2
221.08157	1.9
222.05305	0.3
223.09761	0.3
233.08101	0.2
234.05252	0.4
234.09172	0.2
235.07460	0.2
235.09723	2.8
248.53131	0.1
251.09225	0.7
265.10797	7.0
266.11227	0.2
267.06528	0.4
269.06735	0.2
277.10703	0.3
279.06641	0.4
280.07278	0.2
281.08258	0.3
282.08847	0.4
284.10471	0.7
291.06244	0.1
294.08966	0.4
295.06555	0.2
295.08801	0.2
295.11877	3.9
296.06931	0.2
296.10568	0.2
297.11325	0.3
298.12082	0.6
299.12793	1.1
307.11905	0.2
309.07712	0.4
309.11154	0.2
310.12039	0.2
311.09277	0.3
312.10022	0.4
323.08936	0.2
324.09906	0.6
326.11578	0.3
327.12311	2.2
328.12656	0.2
329.06686	0.3
333.09662	0.3
337.07278	0.3
338.11511	0.1
339.12488	0.5
340.09262	0.3
341.06415	0.3
341.10275	0.3
342.10767	0.2
345.13480	0.2
352.09125	0.3
355.07730	0.1
355.11829	2.5
356.12616	6.5
357.13358	1.4
367.12094	0.6
369.09799	0.2
370.10739	0.2
385.12888	100.0
386.13248	7.3
427.13922	4.5
428.14166	0.3
457.15091	1.3
529.16980	0.4
547.19562	0.2
547.29211	0.2
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
56.61005	1.4
59.01369	3.5
61.98820	2.9
69.54043	4.3
69.54456	4.5
71.01377	2.7
85.02951	5.2
89.02441	2.1
93.03481	1.9
96.96009	3.1
119.05027	79.3
120.05355	1.7
124.56667	1.3
130.67038	1.3
137.02396	1.6
144.04523	2.7
145.02957	2.9
145.04976	1.5
163.04002	100.0
164.04323	2.7
179.05548	1.5
191.05550	3.6
325.09259	41.2
326.09396	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	547.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	9.7
61.99107	2.3
71.01382	3.8
71.24406	2.4
78.95906	76.1
85.80067	1.3
98.77615	1.4
99.92588	22.5
100.93431	1.8
110.98544	15.0
115.92083	17.0
116.92863	17.9
136.89148	1.4
145.12943	1.5
151.01556	1.7
163.89691	1.5
164.99612	3.8
167.01129	7.5
172.95303	1.4
176.83241	1.6
178.88431	21.6
179.89226	26.8
180.90005	15.4
181.90755	1.8
193.90771	35.8
194.87865	1.6
194.91628	14.6
196.89487	79.1
210.90977	7.2
218.91528	1.8
235.91766	1.8
236.92560	3.4
248.92532	4.1
249.93480	4.3
250.94183	5.9
252.92090	1.8
266.93719	4.3
267.94427	3.1
279.23254	19.6
379.28571	6.8
423.04266	1.5
447.25198	4.3
529.16541	17.2
543.14526	6.3
547.17743	100.0
548.17902	9.6
552.86438	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	547.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01381	6.9
60.99311	15.1
61.98829	3.8
65.54514	0.5
69.65091	2.1
69.65508	0.5
71.01385	3.1
72.99297	0.5
73.02946	1.6
75.00869	2.0
75.62260	0.4
80.11169	0.4
83.01381	1.0
85.02969	3.8
87.00867	1.0
88.00396	0.7
88.98808	100.0
89.02445	7.7
89.99145	0.9
93.03447	0.7
95.01380	0.5
96.96013	4.5
99.00879	0.5
101.02460	1.8
109.02955	0.7
111.00885	1.4
113.02448	1.1
119.03545	0.8
119.05045	1.0
121.02926	1.0
121.10271	0.5
123.04549	0.5
123.32796	0.4
125.02460	0.6
129.01955	1.0
134.03726	0.8
135.02998	1.4
135.04535	1.2
137.02509	0.5
139.03925	0.4
145.02972	1.2
149.02403	0.9
149.04523	0.4
151.00388	0.9
151.04066	0.5
160.01706	0.6
161.02367	0.6
163.04048	1.0
167.03409	0.7
171.39188	0.4
173.04611	0.6
175.03984	1.1
177.01913	0.5
179.03577	0.8
179.05634	0.8
191.01917	0.8
191.05640	1.1
193.05043	0.9
197.04570	0.6
205.05092	0.8
223.13428	0.6
227.03485	5.0
229.05104	1.0
255.02980	11.5
256.03610	0.6
267.12323	0.6
284.03256	19.8
285.04004	5.9
342.04166	0.5
342.13620	0.8
343.14178	0.5
387.16583	1.0
423.75421	0.5
469.14615	0.5
503.12012	15.0
503.24622	1.3
504.12527	1.8
547.20148	2.1
547.28210	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
59.01385	13.9
69.90137	2.6
71.01382	19.8
72.99313	2.9
73.02954	1.9
75.00893	0.7
75.62489	0.8
79.36162	0.7
83.01389	6.4
85.02940	7.5
87.00875	32.2
89.02461	2.1
96.96006	5.9
98.95596	3.0
101.02433	1.5
108.72504	0.7
110.67047	0.8
111.00872	8.7
113.02435	2.6
115.00375	57.2
125.02422	0.9
127.00406	1.3
129.01939	0.9
135.04486	0.8
139.00385	18.2
149.04570	1.1
149.06087	0.7
149.37686	0.8
157.01425	27.9
173.04477	0.9
175.02473	100.0
176.02827	1.4
186.87680	0.9
191.01936	2.6
191.05586	3.4
198.73990	0.7
221.09756	0.8
233.74524	0.9
251.11855	1.0
280.08533	3.1
295.10831	7.2
325.11929	2.2
327.13470	4.2
339.09790	1.7
353.11694	1.1
371.12436	10.0
372.13043	1.0
385.07697	0.9
391.13034	1.6
397.10413	0.9
401.13547	1.9
429.12891	4.6
431.14566	1.1
435.12363	0.9
443.14734	1.0
453.13153	0.9
467.14600	7.2
485.15649	10.6
487.13708	5.0
511.13654	1.1
529.14789	1.1
547.15643	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	547.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	10.6
61.98832	12.3
65.00330	1.2
71.01379	4.3
72.99316	1.3
73.02946	2.3
75.00872	1.7
77.42591	0.8
83.01394	1.6
85.02944	7.5
87.00842	1.0
89.02457	2.5
91.05486	0.9
93.03458	2.6
96.95995	4.0
99.00867	1.7
101.02417	2.6
107.05050	0.9
108.02186	2.8
109.02943	1.5
113.02445	1.4
117.01934	1.1
117.03483	1.8
119.01395	1.8
119.05021	3.9
121.02959	18.4
123.04536	3.5
124.00730	1.1
125.02482	1.9
129.01941	1.5
132.02147	2.4
133.03033	0.9
134.03728	4.3
135.02998	1.6
135.04485	3.0
136.99292	0.8
137.02449	3.6
139.03915	1.0
147.00932	1.3
147.04486	5.4
148.03999	1.1
149.02438	72.1
150.02831	2.5
151.03949	1.0
152.01169	5.0
153.01875	1.7
161.02431	3.9
162.03221	3.1
163.03995	8.5
164.04787	53.2
165.01938	2.7
165.05278	1.8
166.02768	1.4
167.03516	3.5
175.00362	15.0
175.03960	1.3
177.01886	1.5
177.04185	1.0
177.05565	4.9
179.03606	1.9
179.07109	6.9
181.05092	1.2
189.01971	1.3
190.02705	40.2
191.01819	1.4
191.03355	1.6
191.07193	0.9
192.04269	0.9
193.01433	6.2
193.05017	2.0
205.05052	49.2
206.05447	1.9
207.02991	2.0
207.06587	1.3
208.03751	14.6
209.04407	1.3
220.03752	2.0
221.04410	1.8
223.06104	100.0
224.06459	3.6
235.02530	1.3
251.05609	1.9
252.34607	0.8
263.05606	4.3
264.06305	2.9
279.08688	9.3
308.05313	2.3
322.12863	0.9
323.07697	84.1
324.08090	3.6
341.08759	5.8
349.16449	0.9
355.68912	0.8
371.09756	1.8
410.15442	1.0
427.06763	1.6
457.07492	1.3
503.24896	2.8
505.26566	1.2
547.10907	5.8
547.18188	3.3
547.28979	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	547.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83856	0.7
55.59291	0.6
57.03460	1.5
59.01374	10.6
61.98824	9.3
61.99114	0.7
63.02409	0.9
65.00336	1.1
71.01412	2.5
71.54897	0.9
71.55289	0.9
73.02981	0.9
81.03457	7.9
83.01400	2.6
84.02193	1.6
85.02946	3.4
87.34109	0.6
88.68459	0.7
93.03490	3.3
95.01368	1.0
95.05030	3.8
96.96003	9.4
97.02938	3.5
99.04512	5.8
101.02495	1.0
107.01430	2.2
108.02190	4.0
109.02979	3.2
111.04531	1.7
113.02455	1.2
113.06070	0.8
113.92602	0.7
117.03460	3.4
119.05029	1.4
121.02997	3.0
122.03735	0.8
123.04520	4.1
125.02441	32.2
133.02956	1.4
135.00905	1.2
135.04541	2.0
135.08186	1.7
136.01646	3.8
137.02429	7.8
137.06052	1.0
139.04013	2.6
142.44978	0.7
147.04497	1.6
148.01697	1.7
149.02461	1.9
149.09711	0.8
150.03233	4.4
151.00365	8.7
151.03833	0.8
153.09241	0.8
161.02415	2.4
161.06104	1.1
163.00385	2.5
163.04047	2.4
163.07600	1.5
164.01201	1.2
165.01891	3.3
166.02583	0.8
167.03487	50.4
171.04504	1.3
173.04588	1.7
173.06062	0.8
175.03999	1.9
176.04787	1.7
177.09276	1.1
178.99867	4.8
179.03554	2.6
179.07103	5.1
187.04131	0.7
189.01933	2.0
190.06332	1.0
191.03606	1.5
191.05592	5.9
191.07166	2.7
192.05940	1.3
193.01468	0.7
193.06123	1.0
193.08661	1.6
197.04526	16.1
198.03189	0.7
199.03999	1.3
204.04224	1.1
209.04565	1.1
209.11836	2.0
217.01390	1.4
219.06598	2.8
221.08180	10.7
226.02707	2.5
227.03458	3.3
233.08232	0.8
240.10463	0.8
243.02969	13.1
245.04623	1.2
251.09291	4.6
254.02112	3.6
255.02972	26.4
256.03363	1.6
265.10788	35.3
266.11188	1.1
271.02457	68.5
272.03040	4.7
287.05368	1.0
295.11856	18.8
296.12225	1.0
299.02051	1.7
300.02737	100.0
301.03455	27.7
302.03616	1.5
307.11963	1.0
333.09833	1.3
341.06674	1.7
343.15485	0.9
355.08096	2.2
355.11880	1.2
367.13846	1.9
385.12775	30.6
386.13278	1.9
427.13925	22.7
427.19745	1.3
428.14151	1.5
439.14044	1.1
457.09143	1.2
457.14969	8.9
463.08743	1.0
487.33386	0.9
524.21680	0.8
529.16498	1.2
547.14453	83.5
548.14844	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	547.146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86442	0.4
57.03456	0.9
59.01385	5.4
61.98829	6.9
71.01389	1.9
73.02954	0.9
75.00867	0.5
81.03468	0.4
83.01393	1.8
85.02959	5.3
87.00895	0.6
87.86777	0.4
88.04056	1.5
89.02451	1.3
89.03990	0.7
93.03473	1.7
95.01394	0.5
96.96035	1.2
98.33452	0.4
101.02434	0.9
108.02186	1.9
109.02989	2.3
111.00889	0.7
113.02426	1.1
115.00406	0.5
115.79234	0.4
116.92921	0.6
117.01906	0.5
117.03487	1.0
118.46451	0.4
118.95280	0.4
119.03532	0.6
119.05033	1.6
121.02962	13.7
122.04884	1.3
123.04542	0.9
125.02512	1.5
132.02176	1.1
133.03040	0.4
134.03773	1.3
135.03059	2.3
135.04533	4.2
137.02513	2.6
139.04004	0.6
143.05045	0.5
145.02951	0.6
147.03011	0.5
147.03427	0.5
147.04546	4.0
149.02457	69.5
150.02808	1.3
151.04012	0.8
152.01160	4.6
152.48778	0.4
153.01883	1.5
153.09070	0.5
155.10773	0.6
161.02470	1.1
161.04675	0.6
162.03207	0.5
163.04051	3.4
164.04810	48.1
165.01941	4.7
165.05183	1.2
165.10336	4.3
167.03505	1.5
169.05106	0.9
175.00351	0.7
175.04001	0.5
177.01901	0.8
177.05591	0.6
179.03583	2.0
179.05707	0.6
179.07153	4.0
190.02762	2.3
191.01917	1.7
191.03525	1.2
191.05602	0.6
193.01430	7.0
193.05164	1.0
195.02959	0.5
203.03435	0.8
205.05032	2.8
206.02110	0.9
207.02931	1.3
208.03784	14.1
215.03516	1.2
217.01563	0.5
217.05165	0.7
219.03024	1.2
219.06624	0.8
223.06126	100.0
224.06464	2.2
231.02975	0.7
233.04630	1.0
246.77681	0.5
257.04514	0.6
259.02524	2.5
278.18640	2.0
279.08752	7.2
288.06213	0.4
295.33621	0.4
299.05728	1.1
322.17596	3.8
323.07721	10.2
341.08847	2.7
385.09088	1.0
385.13324	0.6
408.23969	0.8
409.24313	1.5
427.06656	3.6
457.07718	1.9
484.23080	0.6
487.32684	0.5
546.66351	0.5
547.10986	6.7
547.18329	2.3
547.28101	2.5
548.10944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03453	12.7
59.01384	6.7
68.99815	0.7
69.33906	4.5
71.01396	2.9
72.99310	0.9
73.02962	0.7
75.00874	1.2
83.01402	2.9
84.02179	2.1
85.02955	100.0
86.03300	1.6
87.00864	0.8
89.02454	0.9
96.96027	1.0
103.00372	1.5
111.00874	4.6
115.00352	0.5
117.03452	0.6
129.01953	12.3
133.52823	0.5
134.03749	5.8
135.04538	4.9
147.03006	14.4
147.04160	1.2
153.02097	0.5
161.02446	1.4
173.00925	2.8
175.03976	0.8
179.03491	3.4
190.02612	0.7
191.01979	63.4
192.02403	1.3
193.05046	4.2
205.05098	1.9
206.08105	0.5
209.03026	12.3
218.05342	0.6
223.06172	0.6
245.04533	0.5
367.06610	1.5
371.06226	0.6
373.09271	0.7
385.07761	27.5
386.07950	1.1
504.25421	0.6
547.16687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
58.02971	47.7
59.01376	4.1
59.77399	0.6
61.98824	3.3
65.33215	0.7
65.45203	0.7
69.36552	2.6
69.36971	3.0
70.53581	0.8
71.01382	1.9
75.34325	0.6
80.96509	0.9
85.02940	5.4
87.00842	0.6
89.02450	1.5
93.03465	2.2
96.96007	4.7
101.02464	0.8
119.05020	33.7
120.01237	0.8
121.02931	1.5
129.01930	1.0
135.04459	0.9
137.02502	0.8
144.24165	0.7
147.04495	2.9
149.04550	3.1
163.03999	71.3
164.04301	2.9
164.07161	29.5
164.08563	1.2
173.04500	4.7
191.02010	3.4
191.05537	5.0
199.63998	0.8
200.59074	0.8
206.08208	100.0
207.08542	1.8
250.07047	2.3
295.08151	8.3
295.11163	1.1
396.17896	1.0
546.19116	2.0
547.18573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.4
57.03440	5.2
59.01379	80.9
60.12876	1.1
61.38897	1.2
61.98814	5.0
68.75232	1.2
69.14447	1.1
71.01382	47.4
72.04530	1.7
72.99296	1.9
73.02949	16.8
81.78482	1.3
83.01376	8.2
85.02950	27.0
87.00866	4.1
87.04497	4.4
89.02444	21.6
93.03462	1.8
95.01382	8.7
96.96015	14.8
97.02953	1.6
98.43597	1.2
99.00885	6.2
101.02441	21.2
111.00907	3.2
113.02449	43.6
114.05589	6.2
119.03479	3.9
125.02429	4.1
125.67604	1.3
129.70648	1.3
130.08754	2.2
131.03519	1.3
134.03706	1.6
135.02966	2.8
135.04498	2.8
137.02463	1.5
143.03476	2.8
147.11798	2.2
149.02560	1.4
153.27983	1.2
161.04559	7.4
163.11290	1.4
164.04793	3.8
170.33034	1.4
179.05592	3.2
179.07112	2.8
180.99619	2.4
191.01974	2.6
191.05647	6.4
192.06023	2.4
195.01175	2.1
196.02045	2.4
197.04559	1.8
211.04341	4.5
223.06087	1.7
224.16571	14.1
236.16579	3.1
236.97508	1.4
252.27083	1.4
262.17902	2.1
280.19263	1.5
298.20285	8.4
299.20273	1.4
322.20187	2.2
333.58539	1.4
340.21429	2.6
354.07047	2.1
371.16959	6.1
373.09778	2.7
392.84549	1.3
394.22406	2.4
406.22598	1.4
442.24442	100.0
443.25018	6.9
460.25525	32.9
461.26367	1.8
502.26651	2.6
547.19208	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	545.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77253	0.3
57.19600	0.4
58.02972	6.8
59.01377	10.9
61.98832	2.6
66.03474	0.4
67.01881	0.9
69.03429	0.5
69.81926	1.9
71.01376	3.1
71.02511	0.4
72.00900	1.1
73.02942	0.5
74.02485	2.1
78.36272	0.3
81.03465	0.7
82.06605	0.9
83.01421	0.6
84.08171	0.9
85.02937	3.7
87.00888	2.3
89.02452	2.2
93.03455	7.8
94.65790	0.4
96.96001	2.5
99.00842	0.4
101.02437	1.6
106.04224	0.8
107.05038	0.9
109.02928	0.8
110.09766	0.4
111.01987	1.0
111.04494	0.8
112.02750	0.7
112.60613	0.4
113.02444	1.2
115.08771	20.2
116.85320	0.3
119.03526	0.7
119.05032	7.7
121.02937	0.5
123.04499	0.6
125.02401	0.5
125.07165	1.1
126.05578	1.0
127.03986	0.5
127.08779	1.7
129.10335	9.0
130.08707	0.4
133.02969	0.6
133.05348	0.5
134.06143	3.5
135.04523	0.5
136.07674	1.6
138.08012	0.4
139.08755	0.5
141.06700	10.4
141.10294	0.5
143.08255	0.7
149.07172	0.6
153.06638	0.5
154.08698	0.7
155.08296	1.9
161.04564	0.7
163.03992	5.6
165.13942	1.7
167.03413	0.5
167.08218	1.4
171.10326	0.5
171.11424	4.3
173.04550	5.8
173.09337	2.8
177.01907	4.3
179.05557	0.5
180.06650	18.5
181.06937	0.6
183.14923	0.6
191.05600	20.6
195.14935	0.9
197.16557	4.8
198.29877	0.4
203.03369	0.5
205.13409	0.5
209.12993	5.7
211.03967	0.6
211.07590	0.6
214.06271	0.9
215.07106	0.9
222.16028	0.8
223.14464	0.5
226.09846	0.5
229.08693	1.1
230.09538	0.6
233.12923	1.5
235.14488	11.9
236.14708	0.5
239.17580	0.9
240.17278	0.6
251.16136	0.4
253.04750	0.4
253.09003	0.6
255.13892	0.6
261.12411	1.6
261.19641	1.5
263.13129	0.5
264.17184	0.7
278.22485	0.7
279.10339	0.7
279.13464	13.9
280.13712	0.5
282.18112	0.6
283.13333	1.2
309.15012	0.7
309.20618	0.6
311.12814	0.5
320.23404	0.7
327.12582	0.6
327.16016	1.7
329.18491	0.7
330.14606	3.4
346.21359	2.3
348.22772	0.5
353.13910	5.3
364.22464	1.8
371.14917	4.1
380.35803	0.5
390.20276	2.3
416.29449	0.5
485.31158	1.8
501.30621	1.2
545.29761	100.0
546.30060	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	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
57.03436	1.7
59.01377	28.2
60.99294	1.9
61.98829	32.5
67.01894	5.6
69.03440	3.3
71.01382	15.0
71.54800	1.0
72.99283	0.7
73.02942	2.3
81.03452	1.7
83.01350	1.6
83.05030	2.8
83.40765	0.8
85.02956	14.7
87.00872	11.8
89.02446	10.7
93.03456	36.6
95.01388	1.4
96.96017	3.8
97.02935	1.3
99.00878	1.3
101.02440	12.6
107.01404	0.7
109.02937	2.0
111.00904	0.9
111.04533	6.8
111.08154	17.0
113.02463	6.0
115.03992	0.7
116.98089	0.7
119.03485	3.0
127.03995	2.2
129.01915	1.4
135.04518	0.8
136.01686	1.4
137.02472	4.1
143.03418	1.3
143.05173	0.8
151.00357	1.3
151.11281	0.9
153.12851	1.2
154.02730	2.0
155.03513	3.7
158.07358	2.2
159.04520	2.9
161.04585	5.8
163.86284	0.8
165.12761	0.9
169.12318	6.2
171.02966	1.3
171.04385	1.0
172.05264	2.5
173.04556	49.1
173.05997	4.2
174.03236	0.9
174.04855	1.1
174.06812	2.1
177.01891	2.0
179.05595	1.8
179.10765	0.9
181.12320	1.3
181.42929	0.9
183.04529	1.8
185.06119	1.1
186.06837	8.1
187.04053	0.9
187.07622	8.3
189.09175	1.8
191.05606	94.1
192.05934	2.6
196.00078	1.1
197.11819	86.0
198.12129	1.8
199.04034	1.7
199.13420	6.1
200.04778	3.1
200.08247	0.8
201.05586	6.3
201.09137	4.3
201.10852	0.7
202.09995	0.7
203.07144	1.1
209.11885	1.6
211.07744	1.0
211.13371	8.0
212.08350	1.9
213.09271	0.9
214.06339	7.3
215.07114	22.5
217.18512	0.7
225.14896	1.6
227.03476	2.3
227.07106	1.2
227.12909	2.9
229.08652	11.3
230.09433	5.9
231.06613	1.2
231.10197	1.6
233.06621	4.0
235.07841	0.9
245.04477	0.9
253.09277	48.3
255.06752	1.4
255.14136	0.9
256.07391	12.9
257.07925	1.0
263.20099	3.5
265.18097	2.3
273.07724	1.0
273.18579	1.3
274.08499	4.5
283.13364	1.0
285.04095	0.9
286.04877	1.9
287.77414	0.9
291.19647	28.2
292.20154	1.3
300.02423	0.8
304.73438	0.8
309.20697	100.0
310.20963	5.7
311.12863	1.0
323.44934	0.9
327.15829	1.7
353.14029	3.2
360.97601	0.8
371.15042	5.1
383.11362	1.3
399.42355	0.8
448.14270	1.1
545.20453	13.4
545.29248	2.8
546.20532	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	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
57.03436	1.7
59.01377	28.2
60.99294	1.9
61.98829	32.5
67.01894	5.6
69.03440	3.3
71.01382	15.0
71.54800	1.0
72.99283	0.7
73.02942	2.3
81.03452	1.7
83.01350	1.6
83.05030	2.8
83.40765	0.8
85.02956	14.7
87.00872	11.8
89.02446	10.7
93.03456	36.6
95.01388	1.4
96.96017	3.8
97.02935	1.3
99.00878	1.3
101.02440	12.6
107.01404	0.7
109.02937	2.0
111.00904	0.9
111.04533	6.8
111.08154	17.0
113.02463	6.0
115.03992	0.7
116.98089	0.7
119.03485	3.0
127.03995	2.2
129.01915	1.4
135.04518	0.8
136.01686	1.4
137.02472	4.1
143.03418	1.3
143.05173	0.8
151.00357	1.3
151.11281	0.9
153.12851	1.2
154.02730	2.0
155.03513	3.7
158.07358	2.2
159.04520	2.9
161.04585	5.8
163.86284	0.8
165.12761	0.9
169.12318	6.2
171.02966	1.3
171.04385	1.0
172.05264	2.5
173.04556	49.1
173.05997	4.2
174.03236	0.9
174.04855	1.1
174.06812	2.1
177.01891	2.0
179.05595	1.8
179.10765	0.9
181.12320	1.3
181.42929	0.9
183.04529	1.8
185.06119	1.1
186.06837	8.1
187.04053	0.9
187.07622	8.3
189.09175	1.8
191.05606	94.1
192.05934	2.6
196.00078	1.1
197.11819	86.0
198.12129	1.8
199.04034	1.7
199.13420	6.1
200.04778	3.1
200.08247	0.8
201.05586	6.3
201.09137	4.3
201.10852	0.7
202.09995	0.7
203.07144	1.1
209.11885	1.6
211.07744	1.0
211.13371	8.0
212.08350	1.9
213.09271	0.9
214.06339	7.3
215.07114	22.5
217.18512	0.7
225.14896	1.6
227.03476	2.3
227.07106	1.2
227.12909	2.9
229.08652	11.3
230.09433	5.9
231.06613	1.2
231.10197	1.6
233.06621	4.0
235.07841	0.9
245.04477	0.9
253.09277	48.3
255.06752	1.4
255.14136	0.9
256.07391	12.9
257.07925	1.0
263.20099	3.5
265.18097	2.3
273.07724	1.0
273.18579	1.3
274.08499	4.5
283.13364	1.0
285.04095	0.9
286.04877	1.9
287.77414	0.9
291.19647	28.2
292.20154	1.3
300.02423	0.8
304.73438	0.8
309.20697	100.0
310.20963	5.7
311.12863	1.0
323.44934	0.9
327.15829	1.7
353.14029	3.2
360.97601	0.8
371.15042	5.1
383.11362	1.3
399.42355	0.8
448.14270	1.1
545.20453	13.4
545.29248	2.8
546.20532	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	545.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32299	0.2
57.03450	1.4
59.01385	5.3
59.77705	0.2
60.62401	0.3
60.99312	1.5
61.98830	4.4
67.01893	7.5
69.03457	2.4
71.01387	3.9
72.99325	0.4
73.02948	1.2
77.03963	0.4
77.51305	0.3
77.73552	0.3
81.03457	1.3
83.01400	0.5
83.05042	1.4
85.02951	10.2
87.00874	7.4
89.02435	0.6
93.03459	43.8
94.03809	0.7
95.01418	0.3
95.05058	0.5
96.96006	1.2
97.02938	0.4
99.00876	0.8
99.04536	0.9
101.02451	0.6
105.03463	1.7
108.02151	0.7
109.02969	2.3
111.00887	1.2
111.04526	6.1
113.02450	1.2
115.03992	0.3
117.03478	0.4
118.57074	0.3
119.05050	0.9
120.04557	0.4
121.02969	0.9
123.04512	0.6
124.32170	0.3
125.02482	0.5
127.03997	1.4
129.01955	1.7
130.79242	0.3
132.02176	0.6
133.02959	11.8
134.03757	2.4
135.04538	7.4
137.02460	4.5
137.09726	0.4
139.04027	0.5
143.03516	0.5
145.02985	0.3
149.06073	0.4
150.03214	0.5
151.03961	0.6
153.01981	0.4
155.03508	2.7
155.10764	0.8
160.01656	1.7
161.02441	5.8
161.04475	0.5
163.04013	0.8
164.04834	0.5
164.33914	0.3
167.03604	0.3
171.02969	0.3
173.04549	48.6
174.04895	0.8
177.01932	5.5
178.02737	3.3
178.06335	0.6
179.03497	3.3
179.07108	0.5
183.10240	0.8
191.05612	100.0
192.05969	1.8
193.08658	0.6
199.09793	0.5
205.04913	0.3
215.05612	2.2
224.38608	0.3
240.10126	0.5
252.94801	0.3
307.08478	0.3
319.81805	0.3
331.00995	0.3
351.07224	4.8
352.07690	0.5
353.10266	7.2
366.09589	1.0
367.10413	0.7
371.11343	2.4
387.26764	0.3
413.21912	0.7
438.31363	0.3
530.35925	0.4
545.16687	8.6
545.26379	1.3
546.16779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26693	1.4
55.52420	1.6
59.01344	1.6
61.26225	1.5
61.70799	1.5
61.98831	11.2
71.01372	5.5
71.54653	1.6
78.95903	100.0
85.52451	1.4
93.08560	1.4
99.92583	25.0
104.97448	1.9
110.98547	18.3
115.92074	22.8
116.49473	1.5
116.92850	16.0
151.01619	2.1
152.99640	3.0
155.95245	2.4
163.89813	2.2
164.99568	6.6
167.01131	11.5
178.88440	25.7
179.89220	35.7
180.90022	13.3
181.90782	2.8
193.90779	46.6
194.87872	3.0
194.91580	20.4
196.89496	86.1
197.89499	2.8
210.91040	6.7
235.91710	2.0
236.92595	3.2
248.92548	4.5
249.93289	4.3
250.94252	9.5
252.92154	3.3
266.93582	5.1
267.94379	3.8
277.21667	12.5
288.67563	1.8
377.14746	1.7
433.85031	1.6
445.23694	4.6
497.14664	1.7
527.15149	22.7
528.15863	2.4
541.12939	10.3
545.16125	81.0
546.16632	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.1
60.99322	0.4
61.48717	0.4
61.98824	1.1
67.01894	0.5
71.01374	1.0
71.55101	0.4
85.02950	2.6
87.00877	1.5
93.03460	7.3
96.96004	1.3
99.92583	10.8
107.93254	0.4
109.06502	0.5
111.04527	0.9
116.92860	100.0
117.92871	2.7
119.05014	0.7
132.37071	0.4
137.02461	0.7
155.03505	0.6
159.04510	0.6
163.04034	0.7
171.02956	0.5
172.05290	0.4
173.04544	9.5
173.06035	0.9
186.06845	0.8
187.07680	0.8
191.05603	16.9
192.06052	0.4
201.05688	0.5
201.09062	0.4
209.11809	0.7
211.13240	0.4
213.08975	0.4
214.06355	1.0
215.07138	7.0
229.08638	1.0
233.06715	1.2
255.06659	0.4
256.07687	0.5
353.14163	0.6
545.20062	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.6
61.98832	100.0
74.03416	1.3
81.67308	1.5
108.58227	1.4
114.16261	1.3
129.42006	1.4
143.89937	1.4
159.85992	1.5
259.35822	1.5
279.23328	1.5
385.65302	1.6
564.53241	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	544.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75814	0.3
59.01373	0.7
61.61620	0.3
61.98829	100.0
63.48641	0.3
70.08726	0.3
71.54105	0.5
71.65845	0.4
93.59720	0.3
94.86665	0.3
95.90933	0.3
102.80231	0.3
106.09807	0.3
108.83436	0.3
239.07860	0.4
245.08218	0.3
327.99194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60015	0.1
59.01378	0.5
61.98819	0.4
69.81555	0.7
71.01383	0.2
73.02935	0.2
79.95739	3.0
85.02959	0.3
93.03470	0.2
96.96013	100.0
97.95963	0.3
107.01372	0.3
121.03049	0.1
122.06089	0.3
127.44896	0.1
135.04643	0.2
151.00388	0.5
172.01863	0.1
173.04536	0.3
191.01984	0.2
191.05615	0.2
205.26169	0.1
217.07310	0.1
243.03006	0.3
255.03017	0.8
271.02496	1.7
272.03162	0.2
300.02740	3.4
301.03479	2.3
386.62216	0.3
447.09299	5.4
448.09772	0.4
545.26428	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	544.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.5
60.99304	1.9
61.98827	100.0
67.01889	5.1
69.03449	1.8
69.27274	4.8
71.01385	3.6
71.01755	0.5
81.03446	0.9
81.72801	0.5
83.04980	0.5
85.02956	2.6
87.00875	5.7
87.04539	0.5
89.02448	1.4
93.03457	32.2
94.03789	1.1
96.96023	3.1
97.02943	0.6
99.00868	0.8
101.02433	0.8
111.04518	5.2
113.02463	2.0
121.02953	0.5
129.01950	0.7
133.02904	0.9
134.03735	5.8
135.04163	0.7
137.02391	0.9
155.03523	1.6
173.04553	17.9
173.06062	0.9
174.04773	0.7
175.04021	0.9
177.01981	0.7
178.02728	3.6
179.03448	0.7
191.05591	6.9
193.05081	2.5
194.05484	1.8
316.17490	0.5
327.16141	1.3
349.09314	1.0
350.09882	1.2
353.13983	1.3
367.10135	0.8
368.10770	1.9
371.14978	2.0
449.14450	19.3
449.20425	0.9
450.14743	0.8
481.17090	21.0
482.17545	1.7
544.15424	1.2
545.20667	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	543.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01718	0.4
61.98827	0.8
69.31227	2.8
95.32932	0.3
98.20618	0.5
99.76923	0.3
190.22820	0.3
231.37029	0.4
281.57977	0.4
528.67340	0.3
547.88965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54557	0.6
53.42847	0.6
59.01383	3.6
60.99321	1.5
61.98830	100.0
67.01905	3.4
69.03455	1.7
69.32495	2.1
69.32919	3.2
71.01385	2.4
76.85020	0.6
81.03452	0.7
83.05039	0.8
85.02975	1.8
87.00872	6.9
89.02448	0.7
93.03458	33.3
99.00842	0.6
99.04533	1.2
101.02500	0.8
111.00953	0.7
111.04541	4.4
113.02453	1.1
117.50777	0.5
134.03743	5.9
137.02457	1.3
155.03535	1.1
162.33681	0.6
173.04544	26.0
174.04958	0.9
177.38237	0.8
178.02716	1.2
183.42032	0.5
184.72527	0.6
190.67238	0.6
191.05626	7.2
218.95587	0.6
279.06677	0.6
307.11929	2.1
371.15015	0.8
449.14682	2.8
481.17136	27.6
482.17566	2.3
538.95404	0.6
544.15106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55582	17.7
61.98830	100.0
71.07685	28.2
76.93089	20.0
78.95945	30.9
87.96357	19.9
117.09223	17.8
152.99571	28.8
174.52762	17.2
216.68144	19.1
267.23215	23.1
336.03363	18.4
468.97888	22.2
487.74554	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	543.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.2
59.01109	1.1
59.01376	12.7
61.98826	4.8
65.91509	0.7
67.01877	1.9
69.03446	1.2
69.88570	2.4
69.88987	1.4
71.01056	0.7
71.01384	7.3
71.05035	3.9
72.99296	0.6
73.02933	1.5
77.23449	0.6
81.11633	0.6
83.05016	1.7
85.02940	2.2
87.00897	3.4
89.02450	1.4
93.03460	14.2
95.05006	0.7
96.95973	0.7
97.02946	6.2
97.06599	3.3
98.20636	1.0
99.00875	29.3
101.02445	2.1
108.02105	0.7
109.02954	0.7
109.06592	1.2
110.03747	0.8
111.04498	2.7
116.97208	0.6
119.03497	0.9
123.08141	2.2
125.09734	9.6
129.01944	0.7
135.08199	1.0
136.05267	0.8
142.02681	2.7
145.89568	0.6
153.12799	1.4
155.03427	1.2
158.03670	0.6
160.12325	0.6
161.02460	1.3
161.04474	0.9
161.09698	0.8
163.11284	12.8
171.10275	0.9
173.04549	16.6
173.06046	1.1
179.10782	1.7
181.12344	21.9
181.13936	1.1
184.05292	0.8
185.06084	0.7
186.03177	1.2
191.05600	9.5
197.11833	6.2
198.03104	1.2
199.07668	1.5
199.09581	0.7
199.11525	0.7
199.13373	11.8
201.11249	1.9
207.10251	44.0
208.10571	1.3
209.11774	2.2
213.05556	1.8
214.02704	2.6
225.11308	64.6
226.11615	2.8
227.07114	2.6
228.07825	1.8
241.01440	3.7
242.02197	5.9
243.12354	52.3
244.12660	1.9
245.00909	2.5
255.02908	2.2
269.04523	0.9
270.01703	7.6
271.02310	1.8
283.02451	0.7
284.03265	0.9
285.03955	1.1
295.02383	1.0
298.01218	3.8
298.04160	0.8
299.01932	1.8
299.15027	1.5
317.16031	26.4
318.16449	1.7
325.14401	1.5
369.13553	4.4
396.08545	4.5
397.09064	2.0
446.08502	2.4
483.29565	2.1
499.25592	1.1
525.27148	6.5
543.15204	19.2
543.28021	100.0
544.15417	2.0
544.28357	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	543.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	0.9
71.54158	1.6
108.02219	1.4
109.02930	2.1
114.07664	1.0
123.00845	1.5
123.04527	1.1
136.01666	7.4
137.02420	2.4
138.03232	1.1
145.02922	1.1
146.03719	4.8
147.04498	1.6
151.03992	11.1
159.04480	2.7
160.05269	1.0
161.02412	3.3
161.06042	1.1
162.03087	2.4
163.03996	0.9
171.04489	0.8
172.05312	1.6
173.06023	2.0
174.03207	12.6
174.06918	1.9
175.04024	6.5
175.07634	8.3
176.04692	0.8
177.05554	6.9
179.03362	1.0
186.06908	1.1
187.03929	2.8
187.07643	7.3
188.04771	1.4
189.05548	8.1
189.09209	1.3
190.16335	0.8
193.05066	1.5
200.04707	2.5
201.05602	3.0
202.06230	1.2
203.05415	1.2
203.07146	14.7
204.07727	0.8
205.05011	1.3
208.03703	1.0
213.05559	1.4
213.09068	1.2
213.30084	0.8
214.06451	1.1
215.07129	17.6
216.07745	2.8
216.11525	0.8
217.08644	3.2
218.09360	0.9
221.25494	0.8
229.08673	3.5
231.06599	2.0
233.08160	10.0
243.10144	1.1
259.09723	2.6
311.09222	1.8
349.10641	1.5
365.13702	1.0
375.12039	1.1
379.15729	1.1
409.12698	6.0
438.16821	29.6
439.17105	2.4
507.23856	100.0
508.24127	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	543.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81351	0.7
55.01883	1.2
56.66322	0.6
57.03448	2.3
59.01380	5.4
60.99327	0.8
61.98833	2.9
62.92701	0.5
64.85514	0.6
66.61221	0.6
66.64655	0.6
67.01885	3.4
68.41756	0.7
68.99816	3.5
69.03458	1.0
69.50002	2.6
69.50412	1.4
71.01385	4.2
73.02955	1.1
75.00903	0.9
78.95882	1.0
80.19872	0.6
83.01396	7.2
85.02951	15.0
86.03303	0.7
87.00867	3.8
89.02456	0.8
89.03981	0.7
91.05566	0.6
93.03462	20.6
95.01394	1.5
96.96004	2.0
97.02956	0.9
99.00870	4.8
99.04529	1.0
101.02473	1.9
108.02167	1.0
109.02991	1.2
111.00916	3.4
111.04541	3.2
112.98874	0.7
113.02454	6.1
113.99596	9.2
115.00382	4.4
117.03493	1.4
118.43503	0.7
119.04998	3.4
121.02964	11.9
125.02412	0.9
127.00383	2.0
129.01942	5.5
132.02184	2.7
133.02939	3.5
134.03746	2.9
135.04523	4.0
137.02480	2.2
139.00365	2.5
139.03996	2.0
146.74690	0.6
147.02934	0.6
147.03442	0.8
147.04504	6.7
149.02441	87.8
150.02820	2.5
151.00388	0.7
152.01158	1.5
153.01884	0.6
155.03484	2.0
156.00700	0.8
157.01355	4.1
161.02432	0.9
163.04001	3.0
164.04796	72.0
165.01907	0.6
165.05179	2.6
166.02730	0.7
167.03476	2.0
173.00920	1.4
173.04535	17.7
174.01659	5.0
175.02522	1.0
177.01913	1.3
177.05608	0.8
178.02739	2.2
179.03566	3.0
179.07103	4.5
181.04994	0.8
182.02145	0.9
191.03442	1.7
193.05051	1.7
197.04536	2.1
206.05850	0.6
208.03716	1.1
221.08110	0.8
223.06117	67.5
224.06474	2.9
265.07214	1.0
271.98450	0.8
277.05673	14.0
293.96887	0.6
319.06662	1.9
337.07770	100.0
338.08130	4.4
367.09970	3.0
369.09793	5.4
370.10233	0.7
375.12997	0.8
495.78067	0.7
505.57523	0.6
543.13550	58.4
544.13757	4.8
549.14709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.9
59.01383	9.4
60.99320	4.3
61.98827	5.0
67.01893	11.9
69.03455	3.1
70.38795	1.0
70.39149	1.2
71.01389	9.3
72.99327	0.9
73.02950	3.3
75.00896	0.6
81.03473	2.0
83.01411	1.9
83.05048	2.3
85.02953	13.6
86.03323	0.8
87.00877	11.1
89.02460	2.2
93.03461	75.9
94.03806	1.6
94.98090	1.0
95.01377	0.8
96.96013	3.4
97.02938	3.5
99.00898	1.9
99.04546	2.0
101.02460	4.2
105.03468	1.2
107.04998	0.7
108.02196	0.5
109.02944	2.0
111.00885	1.7
111.04525	10.8
111.05239	1.0
113.02455	3.5
119.05004	0.7
121.02952	1.1
123.04542	1.0
125.02458	1.1
127.03994	1.7
129.01926	3.7
130.02249	0.6
130.08708	1.8
131.03578	0.6
132.02193	5.9
133.02959	8.5
134.03751	4.5
135.04541	9.0
137.02438	6.3
139.04031	1.3
143.03499	1.7
147.03011	0.6
149.02426	0.6
149.04614	1.0
151.07637	3.5
155.03493	5.1
160.01674	14.0
161.02438	4.7
161.04510	0.8
165.05576	0.8
165.09367	0.5
167.03517	2.5
173.04558	100.0
174.04889	2.1
175.03992	0.7
177.01958	2.8
177.05574	4.2
178.02721	6.1
179.03496	8.2
185.02348	1.2
186.97472	0.5
191.05624	45.9
192.05898	1.4
193.05026	3.2
197.04643	1.2
203.03421	0.6
205.12332	5.6
235.05844	0.6
265.62830	0.5
279.11331	0.5
313.12711	1.5
351.08749	7.5
367.10385	17.2
367.17331	4.5
369.09729	7.7
386.86185	0.7
411.16669	11.6
412.16504	0.8
511.28500	0.7
521.95813	0.5
543.14471	24.7
543.20917	3.2
544.15002	2.6
544.51605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01714	0.7
61.98829	1.0
71.44556	0.5
71.54527	0.5
71.54940	0.6
176.94481	0.5
177.30193	0.5
239.97221	0.5
277.21753	3.6
352.32095	0.5
464.73120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.9
61.98833	3.1
69.57931	3.4
71.01394	1.2
82.13460	0.5
85.02943	4.0
87.00851	0.6
89.02419	0.6
93.03465	2.5
95.39400	0.5
95.40003	0.6
96.96016	2.0
98.20627	0.8
102.11382	0.5
109.02978	0.6
111.04523	0.8
125.13206	0.6
127.04018	1.3
135.04518	3.9
144.04549	100.0
144.54768	0.5
144.56094	0.5
145.04878	2.4
150.03247	0.7
159.03226	0.9
161.02396	1.3
167.12459	0.6
173.04535	6.1
176.80928	0.7
179.03494	3.6
188.03525	46.7
189.03888	1.3
191.05602	74.9
192.05977	1.3
279.53598	0.6
286.36407	0.6
331.70630	0.5
353.08740	13.8
426.37143	0.6
433.86826	0.5
506.78458	0.7
531.98993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
69.21971	0.2
70.66283	0.2
76.95148	0.2
100.26254	0.2
185.36108	0.2
213.38928	0.2
234.63081	0.2
272.59488	0.2
286.36261	0.2
289.08405	0.2
482.01166	0.2
483.15646	0.4
554.67303	0.2
554.76563	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37058	0.1
58.80356	0.1
59.01365	0.2
61.98829	100.0
62.33414	0.1
70.65401	0.4
88.77513	0.1
88.95980	0.1
90.01237	0.1
164.33453	0.2
196.38469	0.2
210.89662	0.1
263.12103	0.1
303.79590	0.2
305.10864	0.1
330.30023	0.1
452.87836	0.1
548.54791	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	543.1351
Annotation	Scytonemin
Peak:m/z	Relative Intensity
50.64812	0.6
53.08306	0.6
54.68142	0.6
55.01893	1.2
57.03447	2.5
59.01388	4.0
60.99308	0.9
61.98829	2.7
67.01895	2.4
68.99812	3.1
69.03459	1.1
71.01379	4.3
73.02953	1.3
75.00842	0.9
78.95904	1.3
80.13665	0.6
83.01387	6.0
83.05032	0.9
85.02955	15.5
87.00877	4.2
89.02471	1.1
89.03988	0.8
91.05552	1.2
93.03458	16.3
95.01398	1.9
96.96005	1.5
99.00890	2.7
99.04570	0.7
101.02436	1.5
109.02984	1.2
109.06703	0.7
111.00874	3.4
111.04519	2.5
112.98815	0.7
113.02442	5.2
113.99589	8.4
115.00397	4.4
117.03448	1.7
119.05042	2.1
121.02950	12.4
123.00935	0.6
123.04537	1.0
124.01534	0.6
125.02462	0.7
127.00381	2.2
129.01953	4.4
129.52127	0.7
132.02180	2.2
133.02962	3.6
134.03717	1.9
135.04547	3.3
137.02457	2.2
139.00365	1.7
139.04010	2.3
141.01938	0.8
147.03029	0.8
147.03261	0.9
147.04514	7.7
149.02435	85.8
150.02820	1.8
152.01126	0.8
155.03494	1.8
156.00616	0.9
157.01456	3.9
160.01709	1.0
161.02460	1.0
163.04013	2.0
164.04788	64.6
165.05164	2.0
167.03506	2.5
169.01526	0.8
173.00995	1.4
173.04535	20.5
174.01682	4.4
175.02478	1.9
176.04872	0.9
177.01958	1.5
177.05653	0.7
178.02730	2.7
179.03496	2.8
179.07098	5.1
181.05183	0.8
182.02162	1.0
191.03572	1.2
191.05664	0.9
193.05095	1.0
197.04582	2.0
201.11356	0.7
208.03767	1.4
223.06107	65.0
224.06413	2.0
229.57690	0.7
235.06085	0.7
259.04825	1.0
265.07138	0.9
277.05658	12.1
301.05484	0.6
319.06601	0.9
327.66483	0.6
337.07742	100.0
338.08078	4.7
367.10519	2.9
369.09750	7.9
407.59872	0.6
407.66382	0.6
429.12540	0.7
543.13483	57.8
544.13733	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	541.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69460	0.4
55.01868	1.4
57.03451	11.9
57.23991	0.4
59.01379	10.9
61.98833	17.8
67.01866	0.5
68.99803	1.1
69.03452	2.0
69.21365	2.4
69.21793	2.0
71.01374	4.4
71.05046	0.6
72.99313	1.4
73.02956	1.1
75.00882	2.9
83.01382	5.0
84.02168	2.4
85.02950	100.0
86.03281	1.1
87.00871	1.9
88.98803	1.1
89.02455	1.5
93.03445	0.7
95.05032	0.7
96.96011	1.5
97.02944	0.5
101.02438	2.0
103.04015	0.9
107.05006	0.5
111.00877	10.0
111.08156	0.5
113.02460	1.7
119.03520	0.6
120.51648	0.4
123.04541	1.3
123.08136	0.8
125.02448	0.7
125.06022	0.5
129.01942	25.9
130.02307	0.5
135.04529	0.6
135.08110	1.1
137.06058	0.6
137.09705	0.5
139.11308	2.6
147.03020	4.5
151.07593	0.5
153.09193	0.8
155.10748	0.6
156.31868	0.5
161.04547	0.7
167.03455	0.9
173.00906	10.4
173.04439	0.6
179.03596	0.5
179.05606	0.5
183.10255	13.7
184.10590	0.7
191.01871	1.1
191.05579	2.2
193.05003	0.6
251.12868	8.6
252.13217	0.8
295.11838	0.9
313.12927	9.0
357.11911	10.9
421.10461	0.7
455.19742	0.5
481.28323	0.9
499.29239	0.5
519.17621	0.5
541.23114	3.5
559.60614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98160	0.5
55.01867	1.5
56.99514	0.5
57.03450	12.0
59.01379	11.6
60.22498	0.5
61.98831	13.5
66.06540	0.6
69.03464	2.7
71.01374	4.5
71.54364	0.8
72.99296	1.2
73.02952	1.9
74.31462	0.6
75.00877	1.9
83.01384	5.6
84.02164	1.8
85.02952	100.0
86.03274	1.7
87.00867	2.7
88.98815	0.8
89.02438	0.8
95.05012	0.8
96.96028	1.6
97.06633	0.8
99.00872	0.8
101.02439	2.2
109.02962	0.7
111.00888	9.7
113.02469	1.8
119.03506	0.7
120.61881	0.6
123.04575	0.7
123.08161	0.7
125.02445	1.4
129.01952	22.4
137.06038	1.1
138.03093	0.7
139.11292	1.7
145.34073	0.6
147.02986	3.1
149.02470	0.9
153.01891	0.9
154.99794	1.0
155.10756	1.4
156.64151	0.6
163.04021	0.8
167.03490	1.3
170.90047	0.6
173.00888	11.1
180.11665	0.6
183.10265	14.7
191.01910	0.7
199.79128	1.0
209.04558	0.8
251.12883	7.1
273.13770	0.7
295.11816	1.3
308.08865	0.9
309.08856	0.7
313.12906	9.3
357.11896	13.8
481.28119	0.9
497.17413	0.7
541.22943	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87567	0.7
55.01886	2.2
57.03452	11.1
59.01377	26.4
60.01720	0.9
61.98839	5.4
69.03455	4.1
69.23038	6.6
70.26258	0.8
71.01373	8.6
72.99303	2.2
73.02939	5.8
74.02595	0.8
75.00867	2.6
79.95740	8.2
80.96518	5.6
81.95319	7.5
82.96120	4.7
83.01381	3.8
84.02171	1.8
85.02950	83.4
86.03260	1.8
87.00858	1.9
88.98840	0.7
89.02447	2.4
93.03460	1.2
96.96011	77.8
97.95937	3.7
98.95589	75.4
98.96413	13.2
99.92575	1.4
101.02425	5.8
102.02827	0.9
103.00371	10.8
104.00713	1.5
105.00795	1.3
109.02964	1.1
111.00883	12.6
111.04510	1.3
113.02432	3.1
115.92035	0.8
116.92848	7.4
123.04542	1.6
125.02416	2.4
129.00960	1.8
129.01941	35.2
130.08734	0.7
133.03009	1.6
134.03703	1.5
135.04530	4.2
137.02423	1.2
138.97012	0.9
139.11285	2.7
143.03513	1.0
147.03015	4.5
147.04013	0.7
149.02408	1.0
151.04108	0.9
152.98578	1.1
154.98149	1.1
155.03447	0.9
155.29706	0.7
161.02403	1.6
161.04576	0.9
164.04782	0.9
164.98615	8.8
165.98936	1.6
166.98099	10.0
167.03596	0.7
173.00912	14.6
179.03458	2.3
182.97653	1.1
183.10251	15.8
184.10469	0.8
193.05029	0.9
193.12460	0.8
211.07695	0.8
211.13391	1.6
241.00182	1.8
242.99924	1.9
251.12833	7.5
255.06572	1.6
313.12915	8.2
357.11877	15.3
409.22485	0.9
437.13174	4.4
453.14279	3.3
454.14667	3.0
455.14383	36.9
456.14700	1.7
495.15347	4.1
496.15689	2.8
497.15500	100.0
498.15671	6.8
523.13385	1.6
541.14423	57.6
541.22449	5.0
542.14441	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	540.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	69.2
61.98830	100.0
69.69559	2.9
71.01378	5.7
73.02953	1.3
85.02962	2.5
88.98786	1.0
89.02462	0.7
96.96044	1.0
98.20551	1.1
99.00892	0.7
101.02423	3.8
107.06499	0.5
111.80687	0.6
113.02474	2.0
116.76972	0.5
125.02422	0.5
159.03023	1.1
161.04581	1.2
191.05711	0.5
201.06680	0.7
303.91968	0.7
373.22397	2.0
391.23383	6.5
433.24368	13.5
433.29773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25227	1.4
57.03471	1.6
58.00588	2.6
59.01379	80.0
61.98830	9.2
63.47738	1.4
64.81899	1.5
69.03420	1.6
70.42155	4.4
70.42541	3.1
71.01384	60.4
72.99328	3.8
73.02952	1.6
78.95865	1.4
82.49837	1.4
84.53451	1.4
85.02940	8.9
87.00867	2.0
89.02441	100.0
89.15694	1.6
95.01371	3.6
101.02432	28.9
107.16490	1.5
113.02448	28.2
119.03495	39.8
121.86903	1.7
125.02472	1.7
131.03493	5.9
135.04488	2.8
137.02344	1.5
143.03505	8.5
149.04521	5.2
158.26157	1.8
161.04608	13.8
173.77316	1.7
179.05615	60.9
179.07219	3.0
185.06035	2.5
191.05623	3.0
212.04871	1.6
213.05557	14.2
225.05495	4.0
240.04243	7.5
240.07857	3.0
241.05057	61.4
242.05502	2.3
255.06622	22.5
256.07373	42.4
270.08951	18.6
271.09720	66.8
272.10114	3.0
301.10733	20.2
345.91968	1.5
385.34650	2.0
454.24402	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	540.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	47.5
58.46234	0.9
59.01376	3.9
61.98834	3.5
74.22231	0.9
85.02966	5.4
91.05512	1.0
96.96014	1.4
98.19948	2.5
123.47984	0.9
129.01971	1.3
144.26997	0.9
147.04546	4.2
164.07164	32.2
170.19598	0.9
191.01991	1.1
206.08221	100.0
207.08575	2.6
226.93457	0.9
231.06686	1.1
249.07616	1.2
250.07182	2.4
268.75931	0.9
300.31360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.5
59.01375	0.8
60.01952	0.3
61.98824	1.2
63.65274	0.3
69.72811	1.2
69.73219	0.6
71.01382	1.8
72.00500	0.7
72.00906	12.0
73.02972	0.4
78.95898	4.2
79.63753	0.4
80.04281	0.3
85.02972	0.5
87.00860	1.4
88.64291	0.3
89.02445	0.5
91.05537	0.4
96.96993	0.4
101.02435	1.0
103.05547	0.6
108.28617	0.3
111.00900	0.4
113.02473	0.7
119.04961	0.4
121.02931	1.0
122.03753	0.6
129.01999	0.4
132.86839	0.3
134.04691	0.6
144.61659	0.3
145.02959	0.9
147.04514	38.3
148.04865	0.6
149.02429	8.6
150.03220	15.5
158.92519	1.1
161.02428	1.2
161.04559	2.2
162.03242	1.1
163.03981	0.6
164.04828	5.8
164.07153	100.0
165.05557	37.7
165.07500	1.7
166.05841	0.7
177.05667	0.9
177.23885	0.3
180.04282	1.6
195.06610	19.2
272.95682	0.4
285.19150	0.3
327.10797	16.6
328.04739	0.5
328.11154	0.7
339.10751	0.5
357.11816	1.5
540.05267	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16561	5.4
61.98816	10.3
62.05257	5.9
68.43718	5.3
71.54509	9.9
75.28194	5.1
107.75843	5.7
128.44585	5.7
180.81018	5.3
206.21553	5.2
279.23276	100.0
280.23572	6.9
449.12637	6.3
476.27896	35.8
489.04675	6.7
507.31979	7.5
539.25323	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	540.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.7
58.50946	0.5
59.01381	2.4
61.98830	100.0
70.13072	2.3
71.01376	1.4
75.00870	0.8
82.35088	0.5
83.01400	1.6
85.02951	11.6
96.96014	0.8
99.04536	0.5
101.02473	0.7
107.01306	0.7
108.02164	0.7
111.00871	1.7
123.04532	1.6
125.02483	0.7
129.01945	4.1
135.04582	0.6
137.09715	0.9
147.02986	0.9
151.00404	1.3
153.01985	0.5
155.10776	0.7
167.03465	3.3
173.00925	1.6
182.02065	0.6
191.01942	0.6
191.05528	0.6
193.65062	0.6
199.09863	0.6
217.29124	0.5
221.06537	0.7
227.03510	1.8
242.02156	3.0
243.02994	16.8
255.03174	0.5
257.04572	4.7
265.06628	0.6
270.01602	4.2
271.02466	18.7
272.02899	0.6
285.04025	9.9
286.04825	3.8
292.15686	0.9
299.01956	7.1
300.02722	3.4
314.04324	34.7
315.04999	6.1
341.05072	1.1
391.12347	0.9
477.10361	77.5
478.10498	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65437	0.8
52.16718	0.8
58.00588	1.2
59.01379	100.0
60.99300	3.5
61.98825	4.1
62.61847	0.9
69.03454	1.4
71.01382	17.9
72.99294	1.5
73.02945	9.9
83.01386	4.3
85.02943	5.0
87.00848	1.8
88.98808	24.4
89.02450	7.5
93.03461	1.4
95.01368	1.6
95.05049	1.1
98.23834	0.9
101.02433	13.9
107.80861	0.9
108.87749	0.9
113.02444	7.1
119.03521	3.1
121.02948	1.7
123.04520	17.2
125.02456	1.4
131.03491	1.4
131.86981	0.8
134.03697	1.3
134.06125	1.0
135.04564	1.8
143.03502	1.6
147.04532	1.1
149.04506	1.4
151.07622	1.5
161.04526	3.5
161.05911	1.0
167.65941	0.8
173.04535	1.8
175.07610	2.0
176.04742	2.2
187.07581	1.2
191.05637	1.8
201.05376	1.0
203.07106	1.6
222.64268	0.8
229.08661	2.2
229.56926	1.0
255.17534	1.0
275.09360	1.3
291.19598	1.6
341.10303	14.6
342.10477	1.3
345.17065	1.4
383.32904	0.9
389.06158	1.1
407.16943	2.6
410.15689	1.0
435.23752	9.9
449.14139	1.7
453.18774	1.0
453.24936	15.1
454.25214	0.9
495.25980	8.5
503.15329	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	539.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93782	0.7
58.32274	0.7
61.98830	3.7
67.01904	1.4
68.21406	0.8
68.99822	2.0
71.01379	1.0
78.20295	0.8
95.01429	1.7
96.35339	0.8
108.02184	3.7
109.02977	5.4
111.00872	2.0
117.03520	1.1
119.05007	0.9
121.02956	2.8
121.77767	0.7
122.03735	1.6
123.00867	5.9
123.04523	6.5
133.02969	1.5
134.03752	1.8
135.04547	4.1
136.01660	29.8
137.02477	8.0
138.03232	7.0
140.98141	0.7
145.02954	1.1
146.03763	2.9
147.04517	4.2
148.05295	0.7
149.02467	2.8
149.06075	24.3
149.07257	1.3
150.03233	1.6
151.04018	32.3
158.03798	1.8
158.07390	0.9
159.04503	6.2
160.05307	1.5
161.02428	5.4
161.06081	3.2
162.03221	12.0
162.06837	4.3
163.04010	6.5
163.07687	3.4
164.04779	2.8
165.01956	1.4
165.05598	0.8
167.03487	3.3
171.04547	0.9
172.05325	3.1
173.06027	6.0
174.03256	8.4
174.06810	1.1
175.04004	8.4
175.07623	11.7
176.04770	2.1
177.05560	31.7
177.09203	3.1
178.06245	1.7
179.03535	1.9
179.07115	17.3
185.06276	1.3
186.03218	2.4
186.06874	2.2
187.04027	12.2
187.07631	19.3
188.04750	1.8
188.08257	1.1
189.05563	8.4
189.09232	2.5
190.06288	2.1
191.07109	4.2
193.05023	10.0
199.07649	2.2
200.04787	3.0
201.05580	3.9
201.09250	2.0
202.06380	2.1
203.07108	12.4
204.04292	0.9
205.05104	1.0
205.08685	6.4
211.07608	0.8
213.05540	1.1
213.09213	1.1
214.06432	1.4
215.07117	38.5
216.07726	4.2
217.08673	4.1
218.09433	1.9
219.06622	1.1
219.10213	6.8
221.08336	0.9
229.08707	6.5
229.32135	0.9
231.10298	1.5
232.03835	1.5
233.08148	5.4
235.09784	1.7
241.08760	1.4
243.10341	1.2
247.09737	14.5
258.09027	0.8
259.09738	2.1
265.10806	4.6
273.11185	0.8
277.10910	2.2
279.06717	1.0
285.11145	0.8
291.12411	2.2
325.14209	1.3
335.13034	1.9
353.13962	1.5
354.14786	6.3
356.08936	0.8
365.13910	1.9
369.13370	1.9
371.11450	0.9
379.15622	1.4
382.14288	2.9
383.14819	5.0
384.15845	3.8
395.14832	1.0
409.12784	2.2
437.16391	0.9
438.16824	20.8
439.17291	3.1
453.22980	1.5
470.19443	100.0
471.19891	7.6
506.83908	0.8
507.23953	26.4
508.23895	1.6
539.26501	88.2
540.26746	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	539.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85741	0.6
56.31641	0.6
57.03452	1.7
58.13739	0.5
59.01378	12.5
60.99307	1.2
61.98828	80.8
63.99262	0.7
64.98872	0.6
71.01380	6.0
73.02953	2.6
80.91680	5.7
81.03487	0.9
83.01382	0.8
83.05038	0.7
85.02959	5.0
87.00889	1.3
88.98812	4.4
89.02444	2.0
93.03471	3.9
95.01397	2.7
96.96002	1.9
99.00860	1.2
101.02416	2.9
108.02171	38.1
109.02956	33.3
109.06629	0.5
110.03293	1.9
113.02438	2.5
119.05008	4.8
120.05360	2.4
121.02872	0.9
123.00871	1.0
123.04512	1.5
125.02442	1.4
134.03719	0.9
135.04491	1.4
135.11746	0.7
137.02443	1.4
137.09689	4.6
146.36281	0.5
149.02412	0.8
150.03258	1.2
151.04048	0.9
152.01146	53.7
153.01947	19.6
154.02225	0.9
161.04556	1.4
161.09729	1.4
163.04010	4.7
163.07651	2.0
164.04384	2.0
165.01875	1.1
165.05536	2.6
167.03462	1.4
168.03734	0.7
173.04556	3.4
177.01822	0.7
179.10739	1.6
181.08720	2.1
184.86084	0.6
191.05617	2.4
192.61836	0.6
195.06534	0.6
225.66664	0.5
275.09171	0.8
297.05988	0.8
298.06519	1.1
312.08054	1.9
315.07230	3.6
370.79782	0.6
373.22394	0.7
389.15796	0.7
427.20197	0.9
449.14331	1.9
474.55441	0.6
476.12701	8.8
477.18018	2.9
478.17371	0.8
479.15402	2.4
479.21539	0.8
495.18842	4.4
517.52899	0.7
521.16498	1.0
539.17627	100.0
540.17950	10.1
545.96173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85741	0.6
56.31641	0.6
57.03452	1.7
58.13739	0.5
59.01378	12.5
60.99307	1.2
61.98828	80.8
63.99262	0.7
64.98872	0.6
71.01380	6.0
73.02953	2.6
80.91680	5.7
81.03487	0.9
83.01382	0.8
83.05038	0.7
85.02959	5.0
87.00889	1.3
88.98812	4.4
89.02444	2.0
93.03471	3.9
95.01397	2.7
96.96002	1.9
99.00860	1.2
101.02416	2.9
108.02171	38.1
109.02956	33.3
109.06629	0.5
110.03293	1.9
113.02438	2.5
119.05008	4.8
120.05360	2.4
121.02872	0.9
123.00871	1.0
123.04512	1.5
125.02442	1.4
134.03719	0.9
135.04491	1.4
135.11746	0.7
137.02443	1.4
137.09689	4.6
146.36281	0.5
149.02412	0.8
150.03258	1.2
151.04048	0.9
152.01146	53.7
153.01947	19.6
154.02225	0.9
161.04556	1.4
161.09729	1.4
163.04010	4.7
163.07651	2.0
164.04384	2.0
165.01875	1.1
165.05536	2.6
167.03462	1.4
168.03734	0.7
173.04556	3.4
177.01822	0.7
179.10739	1.6
181.08720	2.1
184.86084	0.6
191.05617	2.4
192.61836	0.6
195.06534	0.6
225.66664	0.5
275.09171	0.8
297.05988	0.8
298.06519	1.1
312.08054	1.9
315.07230	3.6
370.79782	0.6
373.22394	0.7
389.15796	0.7
427.20197	0.9
449.14331	1.9
474.55441	0.6
476.12701	8.8
477.18018	2.9
478.17371	0.8
479.15402	2.4
479.21539	0.8
495.18842	4.4
517.52899	0.7
521.16498	1.0
539.17627	100.0
540.17950	10.1
545.96173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42380	0.3
59.01383	8.5
61.98835	1.7
69.38913	1.1
69.39343	1.7
71.01382	2.6
73.02950	2.6
79.95736	9.1
80.96520	5.7
83.01389	0.6
85.02950	3.2
87.00871	0.8
89.02448	1.1
95.95206	0.4
96.96017	100.0
101.02441	2.6
102.12737	0.3
102.99722	0.7
103.00381	8.1
108.65977	0.4
113.02470	0.8
122.97601	0.4
125.02469	0.4
130.24208	0.3
138.97011	0.6
143.03502	0.4
150.97113	0.5
152.98575	1.8
164.98630	15.8
180.98108	1.7
193.12383	0.4
211.13419	2.3
222.99268	0.7
236.03075	0.4
238.12024	0.4
241.00285	2.7
355.30518	0.4
410.98758	0.4
415.19467	0.7
435.13287	3.3
444.11603	0.4
453.14352	26.2
454.14609	1.2
495.15445	58.5
496.15564	3.9
521.13300	0.8
539.14398	30.3
540.14728	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22623	1.6
56.78331	1.8
57.03439	2.0
57.21808	1.6
59.01377	27.6
70.14442	6.3
71.01379	34.1
73.02969	1.9
78.95902	29.4
81.89307	1.5
85.02943	7.7
87.00877	7.9
88.94567	1.7
89.02447	42.7
90.88296	1.6
91.57203	1.5
95.01350	1.8
96.96003	2.4
96.96947	3.6
98.19930	1.6
101.02431	17.8
113.02442	21.3
119.03474	8.0
131.03520	1.7
134.04718	6.2
143.03497	2.4
149.04570	2.1
158.92529	10.6
161.04518	10.1
179.05608	28.5
193.31111	1.7
208.29768	1.8
221.06612	11.3
271.86285	2.1
272.95773	4.4
323.09805	5.0
328.04755	2.5
341.10931	4.6
377.08481	12.1
408.00879	2.1
503.16150	100.0
504.16327	5.9
539.13800	70.6
540.05377	13.3
540.13806	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	539.138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90878	1.2
59.01119	1.5
59.01384	29.3
60.37809	1.3
70.01824	3.3
70.02216	3.7
71.01379	27.7
73.02954	3.1
85.02943	5.9
87.00896	7.1
89.02444	40.2
90.66328	1.3
95.01357	1.7
101.02451	16.2
113.02448	14.6
119.03490	8.7
125.02435	1.3
130.76649	1.3
131.03494	2.6
143.03540	3.0
161.04626	7.0
161.05714	1.6
179.05629	21.8
221.06615	13.6
228.97850	1.6
323.09845	6.1
341.10809	4.9
377.08560	7.3
383.11752	2.2
503.16177	100.0
504.16534	4.9
539.13824	59.5
540.14117	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	539.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.1
57.03443	1.3
59.01381	6.4
61.98830	100.0
65.00320	0.8
71.01385	10.6
71.55116	1.0
72.99297	1.2
73.02959	3.0
75.00871	0.9
81.03453	1.0
81.94563	0.7
83.01394	2.3
85.02948	9.3
85.42171	0.8
87.00862	1.0
88.98827	2.0
89.02437	2.3
93.03480	1.0
95.01388	6.8
95.05047	0.8
96.96027	1.3
97.02943	1.3
99.00861	2.1
100.93304	0.6
101.02408	4.3
102.50434	0.6
106.10007	0.8
107.01394	8.3
108.02141	2.0
109.02950	2.9
111.00869	3.7
113.02422	3.3
121.02952	12.1
122.00114	0.8
123.00877	27.4
123.04496	2.3
124.01675	4.6
125.02428	2.9
127.00349	2.0
129.01932	0.9
134.03751	3.4
135.04521	3.9
136.98796	1.4
137.01480	1.2
137.02444	14.3
137.06110	0.8
137.99579	1.6
138.03227	17.0
139.00415	4.8
139.04008	9.3
145.02928	3.3
149.02454	1.3
149.06094	3.6
150.03142	0.9
152.01144	2.4
153.01953	4.0
153.05569	16.0
155.03470	2.6
161.02350	0.9
163.03998	1.1
164.04779	1.7
165.01947	1.1
165.05447	0.9
166.02647	1.0
166.99843	23.8
167.03506	5.0
168.00609	7.5
169.01285	2.1
173.00807	1.2
178.02780	1.1
179.03410	3.0
180.99973	1.2
181.01413	16.6
181.04900	0.9
182.02200	64.6
183.02980	34.9
183.10226	0.8
184.03302	1.0
190.02689	1.0
191.05635	3.6
191.06984	0.7
192.07555	0.7
194.05786	1.5
196.03758	15.2
197.04541	88.3
197.24811	0.8
198.04782	2.6
211.06099	16.7
212.06609	0.8
223.06027	1.7
225.03986	2.2
237.04204	0.9
255.05081	1.0
295.10056	0.8
311.04019	1.6
311.07568	2.3
312.04590	2.6
326.06357	2.7
327.07211	54.6
328.07407	2.1
341.08749	32.3
342.08701	1.4
449.09875	0.8
495.16885	1.6
503.17294	1.6
538.29144	1.0
539.13702	50.4
539.30670	2.0
540.14014	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	538.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03448	0.3
59.01377	18.2
61.98829	100.0
69.39988	0.5
69.40388	1.5
71.01374	1.6
73.02939	0.4
79.75940	0.3
80.73040	0.2
85.02966	0.9
87.30064	0.3
88.98833	1.2
89.02446	0.4
93.03491	0.4
101.02438	1.0
109.02954	0.3
113.02457	0.5
121.02922	0.3
125.02448	1.0
126.02840	0.4
127.02955	0.3
152.01161	0.5
161.04555	0.7
163.03987	0.4
179.86916	0.3
191.05658	0.6
203.10942	0.3
223.91425	0.2
227.16594	0.5
271.02698	0.3
271.06158	0.4
272.06500	0.5
273.06747	0.4
274.07104	0.3
301.03366	0.3
307.56339	0.3
371.20953	0.5
389.21762	1.4
431.22845	4.7
432.23132	0.3
448.09418	0.5
539.17822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00609	1.5
59.01378	27.1
60.43921	1.5
63.60361	1.2
68.64809	1.6
71.01384	25.1
71.53259	2.7
73.02937	2.7
83.01371	2.4
85.02942	4.1
86.30801	1.6
87.00867	5.2
89.02446	38.0
95.01392	2.1
101.02452	16.0
113.02451	12.6
113.48622	1.7
118.61901	1.8
119.03491	7.8
143.03473	4.5
149.04482	2.3
161.04547	6.4
179.05618	26.2
197.04518	4.0
221.06665	15.8
264.08746	1.4
323.09857	3.4
341.10846	4.4
377.08545	11.8
383.12238	2.8
503.16171	100.0
504.16449	4.2
539.13849	68.3
540.14044	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	538.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.9
61.98830	100.0
69.28104	1.6
71.01382	2.1
73.02955	0.6
85.02929	1.1
87.00886	0.3
89.02441	2.8
93.03461	0.3
101.02457	1.0
102.42652	0.2
113.02472	0.7
119.03525	0.7
121.02934	0.2
122.03713	0.3
125.02436	0.3
135.44304	0.2
136.01675	0.4
141.84554	0.2
143.03473	0.3
149.02455	1.2
149.04553	0.6
149.99388	0.2
150.03223	1.2
151.03842	0.8
154.07312	0.2
161.04597	0.5
164.04785	0.5
165.05544	1.5
166.02617	0.2
166.05899	0.8
167.03520	0.8
179.03561	0.3
179.05609	0.7
181.05037	0.3
187.70886	0.2
191.05612	1.4
195.06618	0.9
196.06923	0.2
286.90567	0.2
313.10553	0.3
327.12305	1.6
328.12732	2.3
340.12625	0.4
344.15167	0.2
431.22894	0.5
479.55713	0.2
490.18170	0.3
537.19629	0.3
538.20392	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15540	0.3
59.01377	2.6
61.98827	92.5
62.67397	0.3
74.32853	0.3
77.03972	0.3
93.03458	0.9
98.20621	0.6
121.02951	100.0
122.03296	1.9
137.02431	1.4
152.07306	0.4
164.03513	0.4
179.32286	0.3
227.06989	0.4
273.82672	0.4
281.06540	0.5
325.09290	2.9
330.02768	0.3
382.47247	0.4
431.55933	0.3
554.46887	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	4.0
59.01380	10.2
59.31336	1.0
61.98830	100.0
69.36471	2.4
69.36869	7.5
71.01382	5.9
73.02935	2.5
76.88841	1.0
79.05508	1.2
81.03445	2.0
83.01379	2.2
85.02945	20.4
86.03284	1.8
87.00867	1.6
88.98779	2.8
89.02444	1.5
93.03442	1.4
96.96009	3.3
101.02445	3.5
105.03449	4.8
108.02153	2.6
109.02943	4.3
111.00895	1.5
113.02441	2.3
117.03466	7.0
119.05042	9.0
121.02949	2.4
123.04533	19.4
125.02406	2.7
127.83652	1.2
129.01920	5.0
135.01930	1.1
135.04475	5.4
137.02534	1.4
137.06099	1.2
145.02942	39.3
147.02934	2.2
149.02428	12.1
151.00285	1.3
152.01109	2.2
153.01883	3.4
161.02328	1.2
163.03999	7.7
167.02182	1.2
167.03505	17.1
167.04869	0.8
173.00989	1.2
173.04469	1.6
177.01820	1.1
177.05579	1.4
179.03462	4.7
180.07874	2.2
181.08224	1.1
191.01964	6.5
191.05550	1.6
193.01408	1.2
193.04895	1.4
195.02950	3.0
195.06569	1.6
197.04649	1.6
209.04587	7.5
219.63640	1.0
221.04506	1.3
239.05586	2.3
244.12584	1.2
263.68488	1.1
282.90659	1.7
297.06241	1.1
307.08133	2.8
311.07657	2.1
325.99002	1.1
354.34567	1.1
377.14355	3.5
449.21396	1.3
453.18210	2.0
475.12460	65.0
476.12595	3.7
478.10840	1.3
491.22775	2.2
494.13748	1.7
495.18527	1.8
526.31482	1.3
537.32697	3.6
538.19690	5.0
538.32874	1.6
539.18060	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59011	0.4
53.30482	0.4
54.17591	0.4
55.56985	0.4
59.01376	25.0
60.99316	0.5
61.72602	0.4
61.98821	1.4
69.19227	0.9
69.19628	3.8
71.01382	5.1
73.02943	5.6
76.56033	0.5
77.78327	0.5
79.39120	0.5
81.03445	0.9
83.01376	0.8
84.25770	0.5
85.02940	1.5
87.35271	0.5
89.02431	3.6
89.35780	0.5
93.03458	1.5
101.02440	5.1
106.04222	4.3
107.05054	2.2
108.02231	0.7
113.02425	2.5
119.03534	0.7
119.05025	8.4
120.05376	0.6
124.37357	0.5
125.02409	0.4
131.03508	0.6
135.04509	1.2
137.06078	100.0
138.06393	2.6
149.04547	0.8
161.04523	1.2
179.07159	3.3
187.07671	0.5
191.05605	0.7
275.09155	1.0
376.55865	0.4
411.42209	0.4
537.23309	1.2
537.32349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.2
57.03429	9.8
59.01380	100.0
61.98823	19.3
71.01390	31.2
71.55943	4.3
73.02945	17.7
81.71966	3.2
83.01399	7.6
85.02944	55.1
87.00883	7.2
88.98815	8.3
89.02449	20.0
90.34415	3.5
93.03464	6.0
95.01357	3.6
99.00912	4.1
101.02450	18.4
104.81305	3.3
107.05038	4.5
108.02177	4.5
111.00858	10.2
113.02446	14.9
113.98847	3.9
119.03454	3.7
119.05032	4.6
121.02940	10.6
121.66826	3.4
123.04498	8.8
125.02443	19.7
129.01970	20.4
131.56584	3.1
134.03734	6.0
135.04576	7.4
137.02432	4.6
138.58337	3.2
139.11302	4.1
145.02943	4.8
147.02895	4.5
148.01720	3.9
151.03996	10.9
153.05559	3.6
167.03458	10.2
173.01003	3.8
173.04546	3.6
175.04016	4.4
176.01149	7.3
179.03426	4.5
183.10194	3.7
191.01930	4.5
191.03529	3.8
191.05603	9.8
191.76178	3.6
193.05070	9.4
197.04520	10.7
205.04959	5.1
223.06099	6.0
225.11301	4.3
259.17166	5.1
261.14822	5.1
271.13474	3.7
271.17059	12.0
273.18494	3.7
281.08261	5.1
289.18027	8.9
295.11395	3.8
300.02463	4.6
301.03778	4.0
315.12396	7.4
315.15921	6.1
415.88058	4.2
433.22369	42.2
451.17578	4.7
451.23404	61.1
452.23694	3.5
473.46222	4.5
475.23370	6.8
477.18994	7.9
489.19000	14.0
493.24457	71.4
494.24304	5.5
537.11475	5.0
537.22845	19.7
537.32434	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	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03455	1.0
57.27446	0.7
58.00579	3.7
59.01380	100.0
60.99288	3.4
61.98830	1.2
65.49332	0.9
71.01380	60.0
72.61914	0.8
72.99295	3.6
73.02958	1.4
83.01370	1.9
85.02951	9.3
87.00871	5.8
88.98807	17.4
89.02443	96.0
95.01374	3.4
101.02440	31.0
108.02197	2.4
113.02449	25.9
113.03015	0.5
117.03445	0.9
119.03497	38.0
121.02943	1.6
123.04571	1.1
124.98824	0.9
125.02450	1.5
131.03542	4.3
133.02919	2.4
134.03748	1.3
135.04529	2.3
143.03471	5.9
145.02948	7.3
146.03734	33.0
147.04431	3.0
149.02444	1.9
149.04515	3.7
150.03159	1.1
161.02437	6.4
161.04544	6.4
161.06075	8.4
162.03227	46.7
163.03838	2.9
164.04784	19.0
165.05400	1.5
175.04086	1.3
177.05569	41.4
178.05887	1.0
179.05577	17.2
179.07118	33.6
180.04268	2.9
182.78867	0.8
195.06602	5.6
198.66719	0.7
207.69998	1.0
231.69954	0.8
284.03290	2.9
285.03940	2.4
297.03992	4.8
298.04688	2.3
299.05615	5.0
311.05579	1.0
327.05066	25.7
327.08957	1.4
328.05417	1.6
339.05185	1.1
339.12418	5.2
357.06143	6.3
357.11862	3.2
358.06650	0.8
369.06064	1.0
387.58252	0.8
388.24442	0.9
447.09265	25.2
448.09756	2.3
537.21558	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
57.03436	1.6
58.00603	3.7
59.01378	80.8
60.15842	1.3
61.98820	6.3
63.95959	1.4
69.77974	4.4
69.78391	3.8
71.01382	69.8
72.47179	1.6
72.99316	2.9
73.02946	7.0
73.81419	1.5
75.00877	1.6
83.01386	4.5
85.02947	19.7
87.00881	3.7
88.98801	8.5
89.02445	87.6
93.03470	4.5
95.01405	5.9
98.20625	2.6
99.00914	2.0
101.02436	30.3
101.51967	1.4
109.02956	6.9
113.02450	26.7
119.03493	32.5
121.02960	7.2
122.03750	8.3
125.02412	2.2
131.03490	5.1
133.02971	3.6
134.03699	1.8
136.01680	11.2
137.02409	3.8
143.03484	7.3
146.03691	2.3
146.30933	1.6
149.02438	47.0
149.04474	5.1
150.03224	78.0
151.04030	17.5
160.05310	1.8
161.04565	14.9
162.03217	4.1
163.03954	3.6
164.04744	14.3
165.05565	66.8
172.05347	1.7
173.06084	1.6
177.05499	3.1
179.05621	29.8
179.07092	2.2
180.04276	3.6
187.03973	4.2
188.04700	2.3
191.05595	2.2
195.06616	34.8
202.06413	2.1
203.07080	2.1
228.06955	1.8
283.09760	2.9
285.04053	4.4
294.08981	2.2
297.04041	5.5
297.11221	1.7
298.04733	4.2
298.56949	1.6
299.05536	4.0
309.07657	2.8
311.05688	1.7
312.10049	13.2
323.09253	2.6
324.10004	8.1
327.05426	13.3
327.12347	100.0
328.12698	6.2
339.05664	2.4
339.12320	65.1
340.12607	5.5
357.06226	12.3
357.13358	2.0
375.14380	4.4
447.09296	30.4
448.09787	2.9
489.17667	11.9
519.18164	2.7
537.19855	35.7
538.20062	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	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19146	0.6
55.01878	1.0
57.03441	1.1
58.00579	2.6
59.01377	65.7
60.01706	0.8
69.68468	1.7
69.68862	4.2
71.01380	33.6
72.99302	2.7
83.01359	1.0
85.02944	6.9
87.00866	2.1
89.02445	44.5
95.01386	2.6
98.19625	1.0
98.84966	0.7
101.02438	20.3
108.02174	2.9
109.02947	7.4
112.30480	0.8
113.02446	13.0
119.03496	22.9
120.20316	0.9
121.02981	1.4
123.00878	0.9
124.33131	0.7
127.92339	0.8
131.03500	2.4
134.16238	0.8
136.01651	19.4
137.02417	2.5
143.03459	4.1
143.04979	1.0
145.06587	1.1
145.41823	0.8
146.03702	0.9
149.02434	2.0
149.04507	1.5
150.03232	1.7
151.04007	16.5
159.04488	2.3
160.05272	2.2
161.04558	4.1
161.05884	0.8
163.04018	1.9
165.05580	2.5
171.04478	1.8
172.05280	2.0
173.06068	2.9
175.07634	1.1
179.05595	8.7
187.04036	6.4
188.04782	2.5
189.05544	1.8
189.50809	0.9
191.07135	0.9
195.06541	1.4
200.04689	1.6
201.05511	1.6
202.06331	6.1
203.07108	2.8
230.84256	1.0
235.07521	1.6
247.07411	1.0
251.07188	2.7
262.06345	0.9
263.07092	5.7
267.06470	1.4
275.07147	1.3
277.08533	1.0
277.19504	0.9
278.09531	2.3
279.06702	6.3
280.07385	1.5
291.06601	1.7
293.08099	1.9
294.08990	4.6
295.09933	1.2
307.09479	1.2
308.06992	1.2
308.10504	2.7
309.07712	6.4
309.11316	3.1
312.09888	1.8
323.09180	5.1
324.09991	14.4
327.12366	9.1
328.12668	0.8
339.12341	100.0
340.12741	6.7
345.99307	0.8
357.13263	2.3
519.18878	4.5
537.19769	32.9
537.28058	1.6
538.19940	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
56.12669	0.7
57.03448	1.4
58.00589	3.7
59.01378	93.7
60.01698	1.0
60.99309	2.5
61.98828	2.9
71.01379	60.6
71.27809	1.4
72.01711	0.6
72.99303	2.8
73.02949	1.9
83.01373	1.1
85.02941	9.3
87.00866	4.3
88.98799	8.4
89.02442	100.0
90.02778	0.9
93.23718	0.7
95.01398	4.2
99.00822	0.7
100.20232	0.7
101.02439	30.1
101.03112	1.6
108.02182	1.7
109.02943	0.9
113.02450	27.6
117.03445	1.9
119.03500	41.3
120.03906	0.8
121.02937	1.0
123.04530	1.4
127.18105	0.7
129.90048	0.6
131.03517	3.9
133.02916	3.0
134.03751	1.0
135.04497	1.5
136.01598	0.7
138.51140	0.8
143.03493	5.8
145.02962	9.4
146.03726	31.4
147.04524	3.4
149.02400	0.9
149.04526	3.7
150.03203	1.2
151.03937	1.2
161.02486	5.9
161.04514	6.2
161.06044	8.6
162.03220	43.5
163.03835	2.6
164.04784	21.1
165.05278	1.1
177.05560	42.4
178.05827	1.4
179.05550	15.2
179.07086	31.3
180.04230	2.8
180.07486	1.3
195.06583	5.3
237.00046	0.7
271.86548	0.7
284.03156	1.9
285.03909	1.4
297.03864	2.7
298.04633	1.6
299.05338	2.2
309.07391	0.8
324.10010	1.6
327.05054	19.7
328.05157	1.4
339.12329	6.8
357.06128	5.1
357.11630	3.1
395.91275	0.7
447.03336	1.2
447.09225	16.7
448.09326	1.5
537.20001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03458	1.0
58.00593	3.8
59.01379	100.0
60.01697	0.7
61.98832	2.9
69.77166	3.3
71.01380	58.5
72.01723	0.9
72.99322	4.0
73.02954	2.2
83.01385	1.9
85.02951	10.5
87.00871	4.6
88.98820	1.5
89.02443	95.2
90.02768	1.0
95.01381	3.0
99.00893	0.8
101.02445	29.2
108.02176	1.5
109.02934	5.9
113.02448	26.3
114.02724	0.6
119.03502	37.8
121.02977	1.1
122.03712	1.3
123.04509	1.6
125.02391	0.8
131.03473	3.6
133.02873	0.6
135.04486	1.1
136.01648	6.5
137.02422	2.4
143.03497	6.0
143.04559	0.8
143.04993	0.6
145.02916	4.2
146.03738	17.1
147.04453	2.0
149.02403	1.8
149.04556	4.3
150.03217	5.0
151.03993	7.5
159.04469	1.8
160.05281	0.8
161.02477	4.2
161.04518	5.9
161.06035	4.4
162.03210	19.9
163.03946	2.3
164.04782	11.8
165.05574	5.3
171.04462	1.3
172.05275	1.8
173.06000	1.7
174.06842	0.7
177.04079	1.2
177.05553	17.7
179.05550	15.0
179.07095	16.0
179.08603	0.4
180.04315	1.1
187.04002	6.1
188.04745	3.5
195.06604	6.1
200.04768	0.8
201.05511	0.8
202.06329	4.5
203.07086	1.8
251.06989	0.8
263.07007	1.4
275.07156	0.9
278.05859	0.8
279.06598	1.6
280.07175	1.1
281.08118	1.1
285.03922	1.2
291.06635	1.6
293.08078	2.1
294.05295	0.9
294.08847	1.4
295.09650	1.5
297.03763	0.9
307.09531	0.8
308.10330	1.6
309.07513	2.9
323.09219	4.6
324.09998	12.8
327.04874	2.7
327.12228	1.4
339.12341	81.9
340.12668	5.0
357.05963	1.8
357.11755	1.8
432.14127	0.7
447.09430	4.2
519.18762	3.6
522.27563	0.8
537.20508	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1976
Annotation	Tanegoside
Peak:m/z	Relative Intensity
55.47643	0.8
55.64578	0.7
59.01379	24.4
61.98830	30.1
62.65154	0.9
69.28508	4.7
69.28906	2.4
71.01376	15.0
79.23965	0.8
85.02949	3.8
89.02447	19.1
93.03442	0.9
95.01398	1.2
96.96018	1.4
101.02437	7.8
108.02163	1.2
109.02950	26.0
113.02463	5.8
119.03516	7.8
121.02957	5.3
123.00887	1.7
123.04509	3.3
131.03488	1.4
132.39218	0.9
133.01468	0.9
136.01663	19.7
137.02396	2.2
143.03485	1.0
145.02942	2.0
146.03726	3.7
147.04503	2.2
149.02448	1.8
149.04523	1.3
150.03204	1.5
151.04002	23.0
158.03682	1.2
159.04495	2.3
160.05243	2.3
161.04602	1.9
161.06088	2.9
163.04025	1.4
165.05568	2.7
167.03500	10.9
171.04588	1.1
172.05280	2.9
173.06039	0.9
174.03201	1.4
175.03998	7.0
175.07541	1.2
176.04782	5.0
179.05540	3.3
179.07011	1.3
187.03967	3.1
188.04805	1.7
189.05583	6.1
190.06325	6.3
191.05611	2.2
191.07135	8.4
195.06606	2.7
202.06328	2.7
203.07140	1.4
233.06317	1.0
237.09271	0.9
238.06587	0.9
239.07130	3.7
251.07037	4.0
261.05667	1.3
262.98010	0.8
263.07010	3.2
266.05853	2.1
266.62738	1.1
267.06604	45.3
268.06985	2.4
275.07187	1.4
278.05856	1.9
278.09586	1.1
279.06567	13.3
280.07126	1.0
281.08136	1.8
282.08960	37.9
283.09354	2.7
293.08139	2.9
294.08936	7.9
296.10413	1.1
297.11298	100.0
298.11594	6.4
309.07861	1.9
309.11313	3.4
312.10046	14.1
313.11469	0.9
315.12186	1.6
323.09152	1.7
324.10019	6.2
327.12357	79.0
328.12424	4.6
330.11099	1.4
339.12347	37.5
340.12808	1.8
345.13400	50.0
346.13739	3.6
357.13373	16.4
358.13782	1.1
375.14481	79.9
376.14883	4.1
470.14478	1.0
475.14417	4.9
519.18921	2.1
537.19794	16.3
538.19714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.4
56.12901	0.8
57.03453	12.8
59.01381	44.9
60.01692	2.0
60.99300	3.9
61.09666	0.9
61.98831	14.4
68.99814	1.2
69.39812	2.8
69.40218	4.1
70.76163	0.9
71.01386	16.0
71.05006	0.9
72.99313	1.9
73.02954	9.4
75.00863	2.3
78.95892	1.8
81.03478	1.4
83.01382	8.0
84.02176	2.5
84.43603	1.1
85.02953	100.0
86.03300	2.6
87.00890	3.1
88.98810	15.6
89.02441	9.8
94.84699	1.0
96.96027	7.7
99.00883	3.1
101.02451	16.7
103.00384	1.9
103.03993	3.2
107.01408	2.9
108.02173	3.3
111.00876	7.1
113.02472	7.0
115.03999	2.8
119.03493	2.6
119.05025	1.6
121.02938	6.2
122.03650	1.1
123.00905	3.4
123.04527	4.1
124.01664	3.3
125.02436	3.4
129.01950	11.5
129.76588	1.0
130.02313	1.1
132.05836	1.5
133.06630	1.4
134.03740	3.4
135.04530	10.6
136.05315	2.7
137.02481	4.6
137.99626	1.2
138.03235	1.2
139.00340	2.0
139.04022	4.0
139.11214	1.3
143.03407	2.1
145.02869	0.9
147.02986	11.8
147.08134	2.2
149.02429	2.0
150.03267	1.9
151.00372	2.2
151.03998	3.0
151.07634	2.6
152.01225	1.0
153.01915	3.7
153.05586	3.0
154.02724	1.6
155.03423	1.2
161.02402	1.1
161.04579	3.0
161.47845	1.0
162.06953	1.3
163.04027	1.3
163.06128	10.0
163.11259	1.5
164.04788	2.7
164.74661	1.2
166.99817	1.6
167.03563	2.8
168.00644	3.5
168.04272	1.0
169.01302	1.2
169.05078	1.2
173.00941	4.5
175.00348	1.4
177.01894	1.5
179.03502	1.9
181.01422	3.1
182.02171	4.8
182.54578	1.2
183.03017	10.8
183.10204	1.7
190.02731	3.2
191.01981	35.6
191.03397	1.2
192.02289	1.6
193.05122	1.6
195.06631	25.5
197.04562	11.5
201.12822	3.3
205.05057	2.4
205.07091	2.3
209.04585	1.8
209.08047	1.1
223.06241	2.2
225.04021	1.0
241.10628	1.1
241.16061	1.2
265.09207	1.6
268.77231	1.0
271.02545	1.6
289.18082	3.7
300.02737	6.0
301.03546	4.3
315.15851	1.9
326.06409	3.1
327.07260	7.4
331.17657	4.4
333.17026	11.3
341.08762	31.4
342.09210	2.1
357.11963	3.6
367.10922	1.3
375.12939	32.6
375.17471	2.0
376.13239	1.8
447.09302	11.8
448.09970	1.0
469.38977	0.9
477.23428	22.7
493.13477	1.6
505.13632	1.5
537.16150	44.2
537.31537	1.6
538.16772	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	537.197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.2
61.98829	6.1
69.32738	4.1
69.33166	5.0
71.01371	7.3
73.02934	7.1
83.01370	2.3
85.02960	3.9
87.00836	2.1
88.98802	2.1
89.02441	3.9
93.03455	97.4
94.03809	1.5
95.01385	3.0
96.96001	2.7
101.02423	5.7
108.02183	3.2
113.02448	2.3
114.01051	1.1
136.01648	10.7
137.02438	100.0
138.02785	2.2
140.95720	1.1
149.04565	1.2
161.04541	1.3
173.04570	1.3
173.06038	1.6
187.07674	2.2
191.05637	5.0
209.12001	1.6
227.14528	1.2
231.10327	1.7
271.13391	2.3
275.09277	3.8
341.64633	1.1
389.19962	1.5
394.47467	1.2
445.50046	1.2
451.19836	1.9
477.30649	1.5
493.20840	17.3
520.72473	3.9
537.23669	2.8
537.32953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
57.03452	3.3
58.00581	0.9
58.92300	0.5
59.01378	12.4
60.01706	0.6
61.01807	0.9
61.98830	3.8
65.23616	0.6
69.03449	2.5
70.68131	0.5
71.01384	6.3
71.29273	0.5
71.55434	0.5
72.99303	0.9
73.02942	1.6
74.34566	0.6
75.00878	0.6
79.01878	0.7
81.03442	1.1
83.01384	2.5
84.02163	0.6
85.02953	22.5
87.00879	0.6
88.23746	0.5
88.98795	2.6
89.02443	8.1
90.02773	1.2
91.02847	0.5
93.03442	2.6
95.01366	2.6
97.02943	2.8
101.02438	3.6
102.02734	0.8
103.00366	1.2
107.01380	1.9
108.02165	1.4
109.02977	1.4
111.00881	1.3
111.04535	1.2
113.02432	2.2
118.12697	0.6
119.03497	1.8
121.02956	2.6
123.00893	7.2
123.04535	1.7
124.01672	22.9
125.02451	42.6
126.02750	0.6
129.01930	3.2
133.02983	1.0
134.03720	1.9
135.03502	1.0
135.04529	17.1
136.01614	0.8
136.04819	0.9
137.02452	4.1
139.04063	0.8
139.11293	2.1
144.15298	0.6
145.02951	1.2
147.02971	3.2
147.04514	0.6
149.02461	6.2
149.99585	36.5
151.00403	3.3
151.03986	1.2
152.01131	1.0
161.02451	2.5
161.04480	0.8
163.04073	0.6
164.04802	5.8
165.05505	0.6
166.99883	0.6
167.03510	2.2
168.00642	62.6
169.01363	5.0
172.05077	0.7
173.00812	0.9
173.04521	0.8
175.00340	3.2
176.01164	0.7
179.03496	14.5
179.05336	0.8
179.05653	0.8
179.07022	1.1
190.02727	7.0
191.01971	5.6
191.03502	1.5
191.05612	2.1
193.01472	0.7
193.05080	1.0
201.11359	2.6
205.05052	8.7
206.05270	0.5
209.04570	0.6
215.14426	0.8
223.06024	3.0
225.13768	0.7
257.04636	0.7
270.99484	0.6
273.55243	0.6
289.18076	1.8
295.09076	0.6
300.02856	0.7
301.03485	1.5
313.05582	3.9
315.16080	0.9
315.19580	1.1
322.08279	1.8
323.08405	1.0
324.08932	1.9
331.06693	13.5
332.06680	0.6
333.13589	1.0
333.17108	3.2
335.07715	5.7
337.10803	4.2
338.11157	4.5
339.11377	8.3
353.08652	1.1
367.10205	1.5
375.12894	8.4
375.16724	0.4
447.09189	1.8
477.25186	0.8
495.25845	0.9
519.11102	0.7
537.12476	100.0
538.12726	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	537.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.4
60.99304	16.0
61.98833	0.5
65.00305	0.5
69.64803	2.0
71.01381	1.5
73.02943	0.6
80.43630	0.3
83.01368	0.4
85.02950	0.5
87.00397	0.3
88.98804	100.0
89.02441	0.5
89.99135	0.7
98.20627	0.6
101.02435	0.8
102.20087	0.3
107.01419	1.6
108.02168	0.9
109.02953	1.5
113.02464	0.6
121.02965	1.3
125.02390	0.3
135.00906	0.5
151.00374	6.6
152.01105	0.7
153.01999	0.4
163.00368	1.3
164.00955	0.4
165.01823	0.5
167.04958	0.3
178.99844	3.3
204.73767	0.4
211.03967	0.4
226.02698	0.4
227.03487	0.9
229.05125	0.7
243.02928	3.1
245.04488	0.9
254.02138	0.5
255.02960	8.4
256.03543	0.4
257.04626	0.5
271.02454	18.3
272.02930	1.5
273.03979	0.6
283.02481	0.7
299.01929	0.5
300.02731	39.6
301.03482	29.9
302.04050	1.6
447.09290	71.0
448.09634	4.8
537.16846	0.8
537.28442	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74558	0.6
57.03452	1.0
58.35528	0.5
59.01383	2.1
60.99307	14.4
84.41127	0.6
85.02950	8.2
88.98803	100.0
107.01392	1.6
109.02956	1.1
121.02954	0.9
129.01935	1.2
147.02995	1.0
151.00348	7.7
152.01157	0.7
152.73473	0.8
163.00336	1.6
178.99846	2.5
191.01979	2.6
211.03996	0.9
227.03392	0.9
229.63538	0.9
243.02950	2.9
245.04628	1.0
255.02960	10.4
267.68011	0.7
271.02451	18.8
272.02966	1.0
283.02451	1.3
300.02750	39.5
301.03485	28.3
302.03958	1.0
321.57324	0.7
375.12918	3.5
447.09296	67.8
448.09644	4.9
537.16150	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
57.03453	2.2
58.00588	1.8
59.01379	35.9
60.99301	9.8
61.98838	0.8
63.97066	0.7
67.24557	0.6
71.01382	32.9
71.50540	1.3
72.99309	1.7
73.02951	8.6
75.00877	1.0
83.01397	4.8
85.02946	12.8
87.00876	2.2
88.98808	56.2
89.02441	30.1
89.03004	1.0
95.01373	3.0
97.02976	1.0
99.00883	3.2
101.02448	22.7
109.02956	2.1
111.00867	1.6
113.02447	14.5
119.03502	10.0
119.04979	1.0
121.02922	1.5
124.98810	0.8
125.02476	1.3
131.03499	1.7
133.02956	9.7
135.04523	1.5
143.03503	2.7
145.02940	2.2
146.03722	6.8
147.04504	2.1
149.02423	1.1
149.04552	0.9
151.03918	0.7
151.40770	0.6
159.03021	1.1
161.02426	2.9
161.04544	5.7
161.06053	2.0
162.03220	13.0
163.00375	1.3
163.03979	4.0
163.68973	0.8
164.04807	4.9
165.01869	1.2
175.03975	3.7
177.05574	11.9
179.05606	4.6
179.07133	9.4
186.64642	0.7
191.03502	1.8
191.05612	1.2
193.01500	1.0
195.06584	1.6
199.03925	1.2
201.01959	0.7
241.05022	0.9
253.04980	0.7
255.06641	1.3
284.03320	9.4
285.04007	7.1
291.02365	0.7
297.04041	14.0
298.04794	7.8
299.05594	18.8
300.05917	1.0
309.04041	1.0
311.05594	2.7
325.03503	0.9
327.05087	100.0
328.05362	4.4
339.05222	3.8
339.12320	1.0
357.06161	27.7
358.06342	1.6
369.06140	2.1
375.23792	4.8
393.06067	0.8
447.09296	93.1
448.09604	6.1
537.22791	2.5
537.29126	61.3
538.29547	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	536.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	0.3
57.03445	0.6
59.01380	19.8
60.01719	0.5
60.99326	0.3
61.98829	100.0
62.57389	0.3
69.58351	1.3
69.58759	0.6
71.01383	3.1
72.99310	0.4
73.02949	0.9
83.01380	0.4
85.02944	2.6
87.00873	0.4
88.98807	1.2
89.02435	1.9
90.02761	0.4
93.03474	0.4
96.96000	0.3
97.06664	0.3
98.19926	0.7
99.00951	0.4
101.02432	2.4
113.02446	1.7
117.03419	0.6
119.03531	0.6
119.05029	0.4
120.49895	0.3
121.02950	0.5
125.02448	0.6
129.01945	0.5
134.06125	0.5
135.04515	0.5
161.04590	1.1
173.04613	0.5
191.05695	1.1
199.35927	0.3
208.83173	0.3
209.04645	0.4
311.05713	1.0
323.05399	0.4
369.19266	1.8
387.20132	1.8
413.08804	2.0
429.21164	2.1
447.09552	1.1
515.14960	0.3
536.12189	0.5
536.20123	0.5
536.31915	1.0
537.32751	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10038	0.6
54.70795	0.5
59.01374	6.4
60.99310	14.8
61.98822	3.0
71.01374	2.6
73.02933	0.8
81.39198	0.5
85.02937	1.4
88.98804	94.9
89.02443	1.6
89.99126	0.6
101.02430	0.8
107.01410	0.7
108.02161	2.0
109.02934	1.6
113.02422	1.3
119.03448	0.6
120.88117	0.5
133.02965	1.6
134.03752	0.6
137.02455	0.6
149.02354	1.0
149.04565	0.6
151.00366	1.9
152.01176	2.6
153.01901	0.6
156.47969	0.6
161.04601	0.5
165.99080	0.6
175.03981	0.8
194.11809	0.5
199.03920	1.2
256.03809	1.3
284.03238	38.1
285.04019	80.3
286.04391	4.1
327.05032	1.5
375.09293	0.9
433.24463	3.0
447.09283	100.0
448.09613	6.0
451.25220	0.9
537.15833	5.8
537.22931	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
59.01075	0.2
59.01373	3.0
61.98833	1.1
69.03481	0.2
69.43475	0.4
69.43880	0.8
71.01382	1.3
72.99303	0.3
73.02959	1.1
75.00871	0.2
81.03447	0.3
83.01383	0.3
83.05034	0.3
84.34592	0.1
85.02948	2.3
87.04520	0.2
88.98792	0.4
89.02441	0.5
91.01893	0.2
93.03465	0.3
95.05032	0.3
97.06595	0.6
101.02442	1.0
106.06665	0.2
108.02136	0.4
109.02914	0.2
110.00104	0.7
111.00874	0.6
113.02448	0.6
117.03429	0.8
119.05005	1.9
121.02965	0.5
123.00892	0.2
123.04519	1.1
123.08172	1.2
125.02385	0.2
125.09721	1.7
129.01932	0.6
132.05800	12.0
133.06606	2.5
134.03703	0.4
135.04520	0.4
135.08138	0.7
136.98813	0.3
137.02380	0.2
137.09711	9.9
137.99556	0.4
138.10069	0.3
139.00357	0.7
139.07645	0.2
142.42058	0.2
143.05035	0.4
145.02950	3.9
145.05507	0.3
145.06583	2.7
146.03293	0.2
147.04671	0.2
149.02422	0.6
151.04089	0.2
152.01138	0.6
155.10797	0.5
158.03857	0.2
159.04512	2.1
160.01605	0.2
161.02467	0.3
161.04543	0.2
161.06010	0.2
163.04010	0.8
164.04784	11.4
164.98260	0.4
165.01878	0.3
165.05240	0.2
165.99063	1.1
166.06340	0.2
166.99821	0.4
167.03487	2.4
171.08133	0.2
173.06007	0.4
173.09717	0.5
175.00281	0.2
175.03917	0.3
187.04022	0.3
190.02733	0.2
191.01884	0.3
191.03439	0.2
191.05597	0.4
193.05043	0.4
199.11313	0.3
205.05064	0.3
208.03938	0.2
209.09686	0.2
213.12881	0.3
222.43791	0.2
223.06175	0.5
224.06555	0.2
227.14459	1.2
241.15959	0.3
243.03084	0.3
243.17508	38.7
244.17833	1.9
251.14455	0.4
255.03067	0.2
267.17294	0.2
269.15457	7.7
270.15845	0.5
287.16501	100.0
288.16843	4.9
301.18076	0.8
311.16531	0.4
313.14392	0.5
315.01407	1.1
316.02170	4.2
317.02362	0.2
329.08740	0.4
329.17575	2.3
330.03735	0.6
331.04544	7.4
331.15347	0.3
332.04968	0.3
365.97726	0.2
373.16638	1.0
373.25851	0.2
402.05093	0.2
475.08908	0.7
475.20190	0.2
535.10925	2.4
535.21729	3.9
535.31329	3.3
536.22113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
59.01107	0.6
59.01383	8.3
61.98826	3.7
71.01387	4.0
72.99363	0.4
73.02952	1.9
75.00870	0.6
76.15801	0.4
83.01397	1.0
85.02955	7.2
87.00888	0.5
87.77109	0.4
88.98795	1.3
89.02449	2.0
93.03449	1.4
95.01389	0.5
96.96021	0.5
97.06605	1.9
99.00871	0.5
99.04548	0.4
101.02428	3.1
108.02172	0.8
110.00092	1.2
111.00892	1.5
113.02438	1.3
116.92859	0.7
117.03471	18.0
118.03787	0.5
119.03558	0.8
119.05026	5.4
121.02968	1.8
123.00944	0.6
123.04517	1.2
125.02457	0.8
128.37787	0.3
129.01961	1.8
131.03546	0.4
132.05711	0.4
132.48831	0.5
133.06612	0.7
134.03745	1.2
135.04573	0.9
137.02426	0.8
137.09673	0.7
137.99564	0.8
138.03221	0.8
139.00372	1.7
145.02959	100.0
146.03310	2.4
147.04572	0.6
147.11807	0.5
149.02435	2.0
149.04570	0.7
149.06108	0.4
149.99673	0.4
150.03383	0.4
151.03996	0.8
152.01141	1.8
153.05611	0.5
155.10820	1.6
161.02502	0.7
161.04646	0.9
161.06123	1.3
163.04022	5.9
163.11275	0.9
164.04829	0.8
164.98299	1.2
165.12845	4.4
165.99080	2.8
166.99808	0.7
167.03519	4.6
173.00978	0.6
173.04570	3.4
175.03978	1.2
178.02765	0.5
179.03500	0.7
179.10808	0.8
187.03973	0.6
191.01990	0.8
191.05652	1.1
193.05016	1.0
199.09882	0.6
205.05052	0.6
209.04697	0.4
209.11861	1.0
225.41507	0.4
227.12892	2.3
235.06137	0.5
243.03072	0.5
243.17293	0.9
265.07162	0.8
271.02478	0.8
285.14920	0.5
287.02158	0.5
287.16541	2.2
303.08841	1.2
313.14279	0.5
315.01669	2.3
315.04721	0.5
316.02231	8.3
317.02631	0.8
330.03842	1.5
331.04608	12.6
331.15424	0.7
332.05029	0.7
373.15103	3.9
389.18216	6.3
399.86572	0.4
475.08887	1.8
517.18463	0.5
535.11017	5.9
535.21875	16.7
535.31317	5.7
536.11066	0.9
536.22211	1.5
536.31671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
57.03456	1.2
59.01381	75.3
61.98827	3.6
66.03790	0.5
71.01379	5.1
71.54925	0.8
73.02949	1.4
83.01386	0.9
85.02948	8.6
87.00886	0.9
88.98821	0.6
89.02451	4.4
93.03481	1.7
95.05045	1.0
96.96040	0.7
100.96995	0.5
101.02431	3.7
110.00068	0.6
111.00892	1.5
113.02482	2.1
117.03466	20.4
119.03537	1.3
119.05029	9.2
121.02963	1.5
123.04517	5.4
125.02467	0.8
129.01949	3.0
129.13614	0.5
132.06862	0.5
133.03021	1.4
134.03770	1.4
135.04567	1.5
137.02443	0.9
145.02956	100.0
146.03328	2.4
147.11819	1.9
149.02443	2.6
152.01242	0.5
159.04501	0.6
161.02469	3.4
161.04614	1.4
161.06044	1.1
163.04024	9.6
163.11327	1.0
164.04558	0.5
164.98270	0.6
165.99052	0.8
167.03476	3.9
171.10236	1.1
173.04607	0.7
175.04097	0.9
177.05696	0.7
179.03522	0.7
179.05719	1.0
191.01968	0.5
193.05074	1.6
193.21410	0.6
205.03471	0.8
205.05147	1.7
209.04680	0.7
209.11812	6.3
223.04553	1.1
227.12946	2.1
244.29700	0.6
265.07132	1.3
313.14627	0.7
315.01175	0.8
316.02094	2.7
331.04413	4.3
331.15530	1.1
359.13449	1.0
389.18161	8.7
519.49292	0.6
535.10938	1.5
535.22021	33.3
535.31464	3.2
536.22437	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
57.03450	9.4
57.04510	0.9
59.01383	24.8
61.98826	3.8
65.90948	0.8
67.01888	2.0
68.99804	1.1
69.30177	3.1
69.30604	3.9
71.01386	11.7
72.99302	1.8
73.02943	1.4
76.49045	0.8
79.01894	1.0
83.01385	4.9
83.05013	2.7
84.02171	1.2
85.02953	81.4
86.03251	1.1
87.00879	1.7
89.02447	11.1
91.01894	2.4
95.01401	4.4
97.02985	0.8
101.02464	7.0
108.02157	2.7
109.02939	3.4
111.00877	11.8
113.02437	3.3
117.07095	1.1
119.03499	3.1
121.02955	1.4
123.00891	40.0
123.04518	7.6
124.01669	42.8
125.02466	4.1
129.01942	19.8
131.05045	1.0
134.03746	7.2
135.04498	2.6
136.01654	11.0
137.02452	24.0
139.03970	2.1
143.03522	0.8
143.04985	1.2
145.02966	1.7
147.02974	9.7
147.04556	1.5
147.52275	0.9
149.02426	2.7
149.06128	1.7
150.03226	10.6
151.04016	16.0
152.01134	2.6
153.01906	1.7
159.04532	6.1
160.01602	2.3
160.05293	4.8
161.02454	2.0
161.05994	1.3
163.00302	1.2
163.04021	4.9
164.04747	2.4
164.72446	0.9
165.01921	1.2
166.02682	0.9
167.03497	16.8
171.04474	1.9
173.00906	9.5
174.03180	1.9
175.04018	6.3
175.07617	3.5
177.01950	1.4
177.05554	11.5
178.02660	6.7
179.03453	2.8
184.96094	0.8
186.03233	1.3
187.04080	4.2
188.04794	11.5
189.05580	6.2
190.06398	1.6
190.99884	2.6
191.01941	8.6
191.03496	1.4
191.05562	1.0
193.05016	6.7
201.05560	1.1
203.07161	12.5
205.05037	1.2
207.06644	4.6
209.02945	2.0
219.10265	1.7
235.06058	3.0
254.54210	0.9
261.07727	1.1
291.06512	1.4
295.06091	2.5
297.06235	4.1
298.08405	1.0
307.06064	1.2
310.08432	4.0
323.07736	1.1
325.10767	12.9
337.10745	2.8
340.09558	0.9
341.05099	4.5
343.11929	4.8
350.54401	0.9
355.11819	6.0
359.05978	3.4
367.06641	1.6
371.11337	3.2
372.11960	4.6
373.12903	100.0
374.13229	4.8
403.65100	0.9
415.14145	1.2
501.96597	1.1
535.11188	4.2
535.18219	62.2
536.18536	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	535.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28684	0.5
55.01879	0.6
57.03438	1.7
58.00598	2.7
59.01380	56.9
61.98830	1.4
69.39487	1.1
69.39891	3.3
71.01382	33.4
72.99308	2.4
73.02966	1.0
80.72870	0.5
83.01373	1.1
85.02943	5.9
87.00879	2.0
89.02444	48.6
93.03461	0.6
95.01410	2.5
98.20610	0.8
101.02445	13.7
109.02966	1.0
113.02447	12.7
119.03503	18.1
121.02940	1.0
125.02443	7.7
131.03493	1.9
137.02454	2.7
143.03506	2.1
145.02933	2.0
149.02486	1.2
149.04575	1.3
155.04993	1.1
159.04518	1.9
161.04553	2.4
161.05963	1.0
171.04474	3.3
172.05313	5.2
173.06065	6.2
179.05612	3.9
186.06923	0.7
187.03889	1.0
187.07568	0.8
200.04739	0.8
201.05492	0.5
203.07066	0.6
214.70746	0.6
232.19196	0.5
245.08292	0.6
247.07642	0.6
265.08572	0.9
271.06110	6.5
289.07156	2.2
293.08188	7.0
294.08972	0.7
305.08221	1.5
307.06131	0.8
321.07617	8.7
322.08420	18.4
323.08835	1.0
337.10797	100.0
338.11194	7.3
355.11890	0.7
373.12936	2.1
433.11157	1.0
456.22366	0.6
481.56387	0.5
517.17242	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	535.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
55.28970	0.4
57.03448	0.7
58.00603	1.4
59.01378	47.2
61.35448	0.5
61.98844	1.9
67.01888	4.8
69.25814	4.4
71.01382	20.2
72.99305	2.2
73.02962	1.5
77.22797	0.5
81.03452	0.6
83.01414	1.9
85.02953	5.6
87.00900	1.0
89.02444	18.8
95.01382	2.6
99.00890	0.5
101.02443	11.8
101.03091	0.6
101.40867	0.6
102.17529	0.4
107.01443	0.4
107.05038	0.6
108.02160	3.8
109.02952	10.8
109.03674	0.7
110.39645	0.4
111.00897	2.5
113.02469	6.9
119.03503	9.5
121.02943	3.1
123.00880	7.0
123.01602	0.5
123.04500	2.5
124.01723	1.7
125.02540	0.6
131.03548	1.1
132.02196	0.7
136.01660	17.5
137.02496	2.2
138.03276	0.5
143.03519	1.0
143.05086	1.7
144.05914	0.7
145.02968	1.1
145.06639	1.8
146.03799	1.8
147.04578	1.8
149.04541	1.2
151.04004	24.4
152.04463	0.8
158.03780	2.0
159.04510	6.1
159.05640	0.6
160.05289	22.5
161.02480	1.1
161.04596	1.5
161.06053	1.9
162.03348	0.6
163.03995	0.8
164.04926	0.6
165.02003	1.6
171.04504	1.2
172.05388	1.9
173.02470	0.9
173.06046	2.5
174.03209	4.3
175.04018	9.8
175.07631	19.1
176.07964	0.6
177.05626	2.1
179.05603	2.7
185.02383	0.9
186.03249	2.6
187.04002	18.0
188.04776	12.9
189.05586	8.4
189.07152	0.7
191.03610	0.7
193.05110	1.0
201.05553	3.7
202.06340	3.2
203.07130	14.4
203.25418	0.4
205.05054	6.9
207.06731	2.0
217.05054	3.7
219.42715	0.5
223.07613	0.6
227.13029	1.1
239.07278	0.7
250.06364	0.7
251.07266	1.2
252.04387	0.8
265.05054	0.5
267.06836	1.5
277.05157	1.4
278.05951	0.8
279.06744	1.5
281.08389	0.8
282.09076	0.9
287.14969	2.8
291.06854	0.6
293.08295	0.7
294.05701	0.5
294.09167	1.4
295.06189	3.5
296.06714	0.7
297.08008	1.0
307.06262	1.2
309.07919	1.7
310.04971	1.0
310.08398	7.4
310.11563	0.7
311.08835	0.6
313.10916	0.8
322.08508	0.9
325.07285	3.3
325.10754	37.0
326.11353	1.7
337.07275	1.0
337.11014	4.6
343.08200	4.8
343.11700	0.5
355.08258	2.2
355.11902	12.8
356.12164	0.6
358.10724	0.8
373.09140	16.6
373.12866	2.2
374.09921	0.7
415.23633	1.2
520.15894	0.6
521.47308	0.6
535.18524	100.0
536.18915	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	535.1455
Annotation	5,7-Dihydroxy-8,3',4',5'-tetramethoxyflavone 6-C-glucoside
Peak:m/z	Relative Intensity
55.01865	0.6
57.03438	0.7
59.01378	14.7
61.98828	1.7
65.00336	0.5
67.01892	0.3
69.03486	0.3
71.01378	6.3
71.55516	0.3
72.99303	0.5
73.02942	1.8
79.05531	5.8
81.03451	4.8
83.01383	0.9
85.02946	6.1
87.00889	1.2
88.98794	0.3
89.02436	4.1
91.01894	1.1
93.03474	1.2
95.01390	0.6
96.96028	0.5
97.02966	0.4
99.00863	0.5
101.02443	4.0
101.06075	0.3
105.03458	14.2
107.01426	0.3
107.05016	0.6
108.02175	0.5
109.02962	0.5
111.00901	0.9
111.04482	0.2
113.02455	3.1
117.03442	0.9
119.01379	3.2
119.03480	2.4
119.05014	0.8
121.02946	2.7
122.03735	2.1
123.04523	49.9
124.04845	1.1
124.07861	0.3
125.02415	0.7
129.01933	1.1
131.03465	0.5
132.02115	0.3
133.02959	0.5
134.03755	1.3
135.04527	2.5
137.02420	1.0
137.06102	1.7
139.72040	0.3
143.03514	0.9
145.02940	1.5
147.00883	2.6
147.02971	0.4
147.04471	1.0
148.01653	0.8
149.02432	51.5
150.03244	2.3
151.00371	0.6
151.04012	0.5
152.01123	0.9
153.01924	0.4
155.10739	0.4
161.02385	0.7
161.04544	1.9
162.03117	0.3
163.04002	2.1
164.04791	8.3
165.01965	0.5
165.05580	1.4
166.02722	1.1
167.03485	20.8
173.00960	0.4
173.04442	0.3
175.00352	17.2
176.01141	6.3
177.01860	0.4
177.05568	0.3
179.03470	0.4
179.05589	3.0
179.07126	1.2
181.05019	0.9
189.01939	0.4
190.02704	43.3
191.03473	10.8
192.04099	0.6
193.01408	0.5
193.05042	1.1
194.02153	1.0
195.02994	0.4
199.09868	0.3
201.99042	0.3
205.05046	35.0
206.05414	1.2
207.02924	0.4
207.06487	0.6
208.03731	1.1
209.04514	5.2
217.01349	2.9
221.06509	0.5
223.06100	6.2
233.04440	0.4
247.06099	0.5
251.05571	0.9
287.05551	0.5
296.86917	0.3
311.07803	0.5
316.02142	1.0
329.08887	0.7
331.04434	1.6
352.07767	0.4
353.08743	10.1
354.08926	0.7
355.21124	0.2
367.10327	5.0
368.11017	0.3
388.16876	0.4
389.17676	0.9
415.23291	3.0
433.24164	1.3
451.23444	1.1
475.25241	0.6
491.15668	3.6
491.22858	0.5
503.11887	2.2
535.14532	100.0
536.14886	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	535.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03475	0.3
59.01384	7.1
60.01724	0.3
60.99306	0.4
61.98833	1.2
65.00329	1.5
68.99837	0.6
71.01379	2.1
73.02950	1.1
80.99795	0.3
83.01395	1.0
85.02948	2.6
88.98834	1.1
89.02454	0.9
93.03471	0.9
95.01411	0.5
96.99330	0.6
101.02456	1.9
108.02196	0.5
108.99330	0.4
110.00094	9.0
111.00921	2.3
113.02438	0.7
119.05035	0.4
121.02978	4.3
122.03745	1.2
123.00887	0.9
123.04530	2.3
125.99549	0.5
129.01926	0.7
133.02951	0.4
134.03746	0.6
135.04465	0.4
136.98813	3.1
137.02455	0.7
137.99603	5.5
139.00381	11.6
139.04031	1.3
141.99062	0.5
145.02937	1.0
147.03064	0.4
149.02461	5.8
149.04630	0.5
149.99622	1.6
150.03185	0.4
151.00418	0.5
152.01234	0.6
155.10796	1.5
159.04471	0.5
161.02449	0.7
163.03995	0.5
164.98305	9.0
165.99089	21.6
166.99873	4.3
167.03534	3.2
171.04485	0.9
173.02356	0.4
174.03247	0.3
175.00360	1.1
175.03937	0.7
176.01115	0.4
177.99098	1.4
178.99886	1.5
187.04027	0.8
189.01892	0.5
190.02640	0.4
192.97783	0.5
193.01373	0.6
193.04997	0.4
193.98544	2.1
194.99271	0.5
197.02277	0.4
199.03925	2.1
199.09697	0.6
201.01965	0.7
203.03528	0.8
205.98586	0.8
215.03535	2.0
216.04243	0.5
217.01402	0.7
219.03023	0.6
226.02740	0.4
227.03539	0.9
228.08054	1.8
229.01430	0.9
230.02252	0.5
231.02945	0.8
232.03749	0.4
242.02153	0.6
243.03021	5.0
243.10240	2.9
244.03740	1.0
245.00833	0.5
247.02603	0.5
255.02991	0.8
257.00784	0.4
258.01651	0.8
259.02490	1.2
270.01706	0.9
271.02472	4.1
272.02936	0.8
286.01154	0.7
287.01990	5.6
287.16644	0.8
300.02802	0.7
301.03421	0.7
312.02637	0.4
313.03482	1.2
314.00687	1.2
315.01480	28.6
316.02237	68.5
317.02646	3.0
329.02942	1.6
330.03806	14.9
331.04602	100.0
331.15082	1.8
332.05029	4.2
337.16406	0.4
343.04269	0.6
357.09335	0.5
373.05884	0.5
373.15094	1.5
373.26187	0.4
449.14691	0.8
460.06470	0.5
474.30328	0.4
475.08826	22.4
475.21957	1.3
476.09164	1.6
491.15579	4.7
493.10074	1.1
535.10938	62.1
535.31299	5.4
536.11334	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1097
Annotation	Haploside A
Peak:m/z	Relative Intensity
59.01378	1.5
61.98846	0.3
65.00317	0.8
68.99854	0.3
71.01410	0.4
71.55279	0.3
73.02968	0.2
75.53465	0.2
80.99840	0.2
82.00648	0.3
83.01426	0.3
85.02985	0.6
86.62415	0.1
89.02467	0.2
93.03464	0.2
93.94151	0.1
95.01437	0.5
100.02494	0.2
101.02420	0.2
107.78604	0.1
108.02202	0.4
108.99352	0.4
109.02965	0.2
110.00101	7.9
111.00896	2.1
113.02509	0.2
119.03525	0.2
120.99347	0.1
121.02972	0.4
123.00888	1.1
123.04547	0.3
124.01730	0.2
124.98814	0.4
125.99617	0.3
129.02017	0.2
136.98802	2.1
137.02480	0.3
137.99593	5.0
138.00645	0.3
139.00378	9.8
139.04053	0.6
140.00790	0.3
141.99074	0.3
145.02945	0.3
147.04591	0.2
148.01694	0.3
149.02432	2.6
149.99626	0.6
151.00438	0.3
152.01164	0.5
159.04590	0.2
161.02408	0.2
164.98276	3.7
165.99072	18.2
166.99855	4.3
167.03500	1.1
171.04562	0.7
174.31364	0.2
175.00389	0.4
175.04008	0.2
177.99138	0.4
178.99835	1.0
187.04016	0.7
188.04716	0.2
189.01985	0.3
190.02686	0.3
192.00615	0.2
193.98549	1.5
194.99287	0.4
199.03960	0.9
201.01894	0.3
203.03511	0.4
205.98520	0.2
206.99147	0.3
214.02628	0.2
215.03529	0.8
216.04216	0.5
217.01437	0.3
219.02914	0.3
223.06186	0.2
226.02750	0.3
227.03484	0.6
229.01396	0.4
231.03009	0.4
232.03760	0.3
242.02281	0.4
243.02975	2.5
244.03726	0.7
245.00897	0.2
255.03035	0.7
259.02490	0.6
260.03204	0.2
269.00928	0.2
270.01611	0.5
271.02478	2.6
272.03043	0.3
286.01147	0.3
287.01944	2.4
288.02438	0.3
314.00635	0.3
315.01462	10.1
316.02216	57.9
317.02542	2.6
329.03259	0.5
330.03784	4.3
331.04572	100.0
332.04938	4.8
343.04388	0.2
373.12720	0.4
475.08701	0.3
535.10773	24.4
536.11115	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	535.1096
Annotation	Haploside A
Peak:m/z	Relative Intensity
55.33271	0.4
57.03465	0.8
59.01381	9.0
60.31981	0.3
61.98830	1.9
65.00052	0.3
65.00355	1.2
71.01392	2.4
73.02982	1.2
75.00908	0.7
83.01402	0.7
85.02958	5.1
88.98807	0.7
89.02460	0.9
91.01923	0.6
93.03477	0.5
95.01402	0.8
96.96033	0.6
99.00911	0.6
101.02425	2.3
108.02229	0.8
108.99360	0.5
109.02985	0.5
110.00101	7.7
111.00902	2.6
113.02464	0.8
117.03462	2.0
119.05042	0.9
121.02956	2.8
123.00925	1.1
123.04513	1.8
124.01749	0.3
124.98823	0.4
125.02411	0.4
125.99609	0.4
129.01985	1.5
131.03543	0.5
134.03766	0.7
135.04556	1.0
135.39388	0.4
136.46939	0.4
136.98819	2.7
137.02449	0.7
137.99597	4.1
139.00369	9.4
139.04031	1.1
140.23157	0.3
145.01787	0.3
145.02945	9.5
146.03433	0.5
148.01656	0.4
149.02448	4.6
149.99600	1.0
151.00352	0.5
152.01155	0.8
159.04456	0.5
161.02463	1.4
161.04567	0.8
163.03983	1.6
164.04776	0.6
164.98293	6.8
164.99690	0.5
165.12907	0.4
165.99069	18.0
166.99841	4.7
167.03481	4.3
171.04446	0.5
172.05310	0.6
175.00412	0.8
175.04053	0.9
177.63202	0.3
177.99097	1.1
178.99855	1.2
179.03519	0.7
179.10852	0.3
187.04007	0.9
191.02005	0.6
191.03603	0.4
192.97678	0.4
193.04997	0.9
193.98598	1.7
198.03239	0.7
199.04010	1.6
200.04755	0.4
201.02065	0.6
201.11340	0.8
202.02715	0.6
203.03537	0.6
205.05127	0.5
205.98555	0.5
215.03488	1.3
216.04277	0.5
219.03055	0.4
223.06145	1.4
226.02713	0.5
227.03477	0.8
229.01341	0.8
230.02158	0.5
231.03014	0.6
242.02202	1.0
243.02916	2.6
244.03680	0.6
255.03116	0.8
258.01675	1.5
259.02444	1.1
267.23569	0.5
270.01538	0.5
271.02460	3.0
286.01141	1.5
287.01993	3.1
314.00702	2.4
315.01456	17.5
316.02213	59.7
317.02515	2.0
319.92303	0.4
329.03110	2.0
330.03769	10.1
330.06534	0.4
331.04568	100.0
332.04916	4.9
359.13614	0.4
370.55270	0.3
373.05634	0.7
373.20105	0.4
373.25250	0.4
403.13855	0.4
460.06281	1.3
475.08765	9.7
475.29456	0.4
476.08911	0.6
493.09882	3.4
529.46155	0.5
534.30408	0.7
535.10828	34.0
535.21637	2.3
535.31085	11.6
536.11194	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.5
57.03450	11.7
59.01379	3.0
61.98845	0.7
65.00322	0.5
67.01893	0.8
68.99825	0.5
69.39710	3.1
69.82774	0.4
71.01383	2.3
72.99318	0.8
73.02964	0.7
75.00839	0.4
82.95444	1.0
83.01395	5.2
84.02165	2.1
85.02956	100.0
86.03288	1.2
87.00890	1.3
89.02475	0.5
91.01910	1.0
97.40527	0.4
101.02405	1.0
103.00362	1.0
104.02939	0.4
106.45583	0.4
108.02184	1.7
109.02970	0.7
111.00890	10.4
115.00401	0.6
117.03484	1.2
123.00903	1.1
123.04531	5.0
124.01612	0.7
129.01947	23.3
129.28633	0.4
130.02324	0.5
134.03740	10.2
147.01846	0.9
147.03000	11.1
149.06070	1.1
152.01138	1.7
160.01648	1.0
161.02423	0.8
163.04140	0.6
165.99141	0.4
166.02702	0.5
167.03510	12.5
167.04942	0.6
172.99649	0.6
173.00958	7.1
175.03986	2.5
178.02670	0.6
181.05028	0.8
191.02002	11.7
192.04292	1.2
193.05069	9.0
196.38200	0.4
197.04420	0.4
207.06638	1.0
209.03004	2.5
222.96387	0.5
235.06177	6.0
261.07669	1.6
287.02002	0.6
297.06137	3.3
315.01398	1.2
323.07715	2.1
330.03583	0.5
331.04630	0.6
341.05261	2.7
359.06036	4.3
361.45169	0.5
367.06677	1.2
371.07501	0.4
385.07489	2.1
477.73804	0.4
535.10828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.1
57.03448	14.7
59.01383	2.6
69.64030	2.5
71.01389	2.8
72.99294	0.5
73.02953	1.4
75.00862	0.6
83.01395	4.6
84.02174	2.1
84.24104	0.4
85.02952	100.0
86.03275	0.6
87.00883	1.1
91.01881	2.8
98.19910	0.9
101.02442	0.9
103.00375	0.9
108.02180	1.8
109.02953	0.9
111.00890	12.5
117.03487	1.0
119.05055	0.7
123.04543	9.6
129.01945	46.5
130.02243	0.6
132.02177	0.7
134.03748	12.2
135.04639	0.5
137.02449	1.0
139.95796	0.5
145.01462	0.6
145.02902	0.5
147.03003	10.6
147.45325	0.5
149.06041	2.8
152.01143	2.4
153.05592	0.6
160.01646	2.2
167.03497	25.4
173.00899	13.1
175.03972	3.8
178.02705	1.6
189.95689	0.5
191.01994	10.5
192.04272	0.5
193.05058	12.0
197.04498	0.7
209.03027	1.4
218.05858	0.6
228.32259	0.5
233.08258	0.8
235.06142	3.2
261.07629	2.2
297.06113	3.1
323.07593	2.3
337.75769	0.5
341.05103	4.7
343.25183	0.5
359.06210	3.4
367.06760	1.4
385.07980	2.2
503.16641	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	3.2
57.03452	17.2
59.01384	1.4
64.91025	0.6
70.31113	1.2
71.01390	2.2
72.99321	0.7
73.02917	0.9
80.77039	0.5
83.01382	4.8
83.83855	0.5
84.02155	1.4
85.02955	100.0
86.03309	1.5
87.00861	0.9
91.01889	3.6
101.02434	0.8
108.02157	1.8
109.03000	0.6
111.00881	13.2
114.67049	0.7
123.00854	0.6
123.04528	10.5
124.01665	0.7
129.01950	45.2
130.02258	1.0
132.02205	0.9
134.03741	10.6
135.04529	0.6
145.01515	0.6
147.03003	10.9
149.06096	1.8
151.87886	0.6
152.01173	3.0
160.01663	5.0
162.03311	0.6
167.03506	32.5
173.00917	13.7
174.03217	0.6
175.03996	6.3
178.02795	1.2
191.01967	8.1
193.05058	9.2
207.06549	0.6
209.03062	0.7
235.06100	3.8
241.54773	0.7
261.07593	3.0
297.06219	2.4
323.07642	3.1
329.98337	0.6
341.05081	6.9
359.06357	3.2
367.06686	1.3
385.07895	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	534.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.4
61.98830	100.0
71.01381	5.4
71.31097	0.4
71.31437	0.5
71.60789	0.2
72.99323	0.3
73.02944	7.9
78.89684	0.2
83.01380	2.7
83.01730	0.2
84.40327	0.2
85.02960	0.8
87.63369	0.2
89.02445	2.0
93.03478	0.8
96.66681	0.3
96.96026	1.3
101.02438	9.4
101.03114	0.5
113.02438	2.8
114.60086	0.3
119.03532	0.9
125.02480	0.4
131.03474	1.2
135.51018	0.3
143.03534	0.7
149.04547	1.9
155.03502	0.3
161.04550	3.2
172.41295	0.3
173.04582	0.6
191.05592	0.6
194.65002	0.3
203.05711	0.4
221.06792	0.5
235.93384	0.3
244.80705	0.3
258.49713	0.3
263.99026	0.2
371.11328	0.4
404.19138	0.3
448.10175	0.7
490.10950	0.5
533.30933	0.3
534.11475	0.5
534.30469	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32122	0.1
56.28528	0.1
59.01382	1.1
61.01815	0.1
61.98831	100.0
62.98553	0.1
69.03449	0.1
69.25461	0.2
69.25870	0.6
71.01392	0.5
73.02958	0.2
75.00873	0.5
76.38895	0.1
81.03451	0.1
83.01389	0.1
85.02956	1.1
86.03304	0.1
89.02440	0.3
96.96038	0.2
101.02464	0.3
102.02797	0.1
103.04023	0.2
111.00925	0.1
113.02354	0.1
119.03500	0.1
121.02985	0.1
123.04542	0.2
125.02458	0.3
129.01953	0.3
134.03745	0.1
143.03481	0.1
148.05244	0.2
149.02444	0.2
160.04041	0.2
161.04480	0.2
163.03998	0.2
163.06195	0.1
167.03511	0.2
174.03186	0.1
175.04243	0.1
178.02725	0.1
179.03528	0.1
191.02051	0.1
191.05548	0.1
191.11502	0.1
193.05136	0.2
280.06918	0.1
284.03165	0.1
285.03827	0.2
286.01437	0.1
286.04517	0.1
309.11020	0.1
327.07367	0.1
329.02859	0.1
331.15775	0.1
339.08197	0.1
341.08560	0.1
354.10706	0.4
371.07712	0.3
373.13007	0.1
490.10632	0.2
491.11673	0.2
535.14752	0.3
535.24603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28472	1.2
58.85987	1.0
59.01365	3.9
60.04139	1.0
61.98829	6.5
71.01373	3.8
72.99300	1.8
83.01391	5.3
85.02944	6.4
85.77069	1.1
87.00867	2.6
89.02418	2.6
96.96008	12.3
98.95600	1.3
99.00869	6.2
109.02949	10.3
111.00809	1.5
113.02460	1.3
115.00374	5.1
117.99133	1.1
121.06577	3.5
123.00852	1.5
125.02402	1.2
129.01944	3.5
129.05540	2.9
130.05928	1.2
131.03491	1.2
133.02968	2.4
134.03764	1.4
135.04523	4.5
135.47762	1.1
137.02457	1.7
139.00328	1.9
144.04573	1.8
145.02971	3.5
145.44711	1.1
147.04518	4.7
148.05281	4.5
149.06073	100.0
150.03186	1.4
150.06441	3.2
151.04037	1.1
161.02420	11.2
161.06073	2.3
163.04037	9.1
165.01845	1.3
165.05537	4.6
174.03268	1.9
175.02544	2.2
175.03984	17.2
177.01917	11.9
177.05531	1.6
185.05992	1.6
187.03976	2.0
189.05496	2.2
191.03419	3.5
191.05426	2.0
192.04306	1.4
193.05028	21.2
194.05431	1.3
201.05234	1.1
203.03510	1.7
203.07172	1.5
205.05043	2.4
206.02214	2.2
213.05551	1.1
219.02954	42.3
221.04601	1.5
231.06563	1.8
233.04514	12.7
237.04024	60.6
238.04274	2.5
247.72569	1.2
259.02454	3.5
275.05566	2.3
277.03406	6.2
279.05219	1.3
293.06619	3.9
319.04575	7.4
337.05615	93.8
338.05945	4.0
348.10785	1.2
351.21597	1.2
355.06717	1.5
357.79672	1.1
381.08163	6.3
399.09189	7.6
439.08774	4.0
454.08337	3.8
481.09827	15.5
482.10217	1.3
490.73303	1.2
499.10889	75.6
500.11157	5.2
535.08411	6.0
535.15833	2.0
535.24615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
59.01365	2.5
61.98834	4.1
68.99818	1.2
69.03458	1.4
70.39746	2.0
71.01387	2.9
81.03455	8.2
83.01375	4.9
85.02955	0.6
93.03463	8.7
95.01388	1.7
95.05030	6.2
97.02941	3.8
97.06596	0.8
99.04475	3.1
101.02426	0.8
109.02930	1.0
111.04474	1.1
111.08113	0.6
113.02440	1.1
119.05032	11.2
121.02947	2.3
121.06600	1.6
122.03754	0.9
123.03625	1.0
123.04523	16.1
124.01656	0.6
125.02447	21.5
135.04535	3.8
135.08170	2.7
137.02466	5.3
137.06067	10.6
139.04024	4.5
141.05542	1.0
145.06567	1.1
145.88094	0.7
147.04498	2.3
148.05273	0.7
149.02394	1.3
149.06111	1.7
149.09666	1.6
151.00371	0.8
151.04013	1.2
151.07610	0.8
153.05580	1.3
153.09238	0.9
155.03476	2.0
158.90749	0.7
159.08110	0.8
163.03969	0.9
163.07671	1.3
165.05548	7.7
166.02699	1.5
167.03487	52.0
168.03844	1.7
168.98801	0.8
173.04562	1.2
173.06036	1.2
175.07605	1.1
177.05556	1.5
177.09195	7.7
179.02066	1.0
179.03510	9.2
179.07106	5.7
181.05086	1.6
187.07620	0.7
189.05542	7.0
189.09221	0.9
191.03589	1.2
191.05539	1.9
191.07141	1.6
191.10771	1.7
192.04256	0.7
193.05060	1.7
193.08708	1.8
197.04584	6.3
199.07651	1.3
201.09143	0.8
205.05020	1.2
205.08661	0.9
209.04549	17.1
219.10182	3.1
221.04782	3.1
221.08165	13.6
227.07127	1.1
227.35739	0.6
229.08562	0.7
231.06590	1.0
233.04471	0.7
233.08128	4.7
235.09686	0.9
239.05637	2.3
247.09669	1.1
251.09262	0.9
261.11288	0.6
263.09235	4.8
273.07666	15.5
275.09174	1.9
285.07700	3.0
299.09387	1.2
315.08740	73.5
316.09106	4.2
323.76318	0.7
325.14380	0.8
327.08780	1.5
327.12381	5.3
339.12274	2.0
345.09750	21.6
346.10104	0.9
369.13394	23.3
370.13882	1.8
371.15048	3.6
381.13501	1.5
383.15277	3.1
399.14526	8.2
411.14590	0.9
413.16031	100.0
414.16391	7.4
417.12000	1.3
425.16266	3.9
443.17087	49.9
444.17239	4.0
455.17075	2.6
515.19269	5.7
516.19806	0.8
533.20270	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	533.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	50.1
61.98838	2.5
69.03446	6.4
69.37318	11.5
71.01382	53.5
72.99311	2.6
73.02939	7.5
75.00866	3.1
81.03461	2.7
83.01411	2.3
83.87540	1.5
85.02965	8.4
87.00898	2.7
89.02445	78.3
95.01409	2.0
96.96025	1.6
97.02946	7.7
99.00876	12.9
99.04533	1.9
101.02449	14.1
111.00887	2.5
113.02467	5.2
114.11462	1.6
115.00369	1.4
115.04011	6.7
121.02943	7.5
123.04587	2.1
125.02445	40.7
131.03511	12.5
135.04555	1.6
143.03540	2.1
146.03729	38.7
148.32143	1.4
149.04556	15.8
161.04727	2.5
161.06097	18.1
161.88411	1.4
163.04091	2.5
164.04723	6.1
165.01935	6.2
167.03551	7.6
173.04620	1.7
178.30005	1.5
179.07158	17.0
191.05630	18.0
209.03017	2.5
225.77054	1.8
233.06656	29.5
265.49704	1.5
293.08783	100.0
294.09061	4.8
329.08713	1.7
367.76788	1.8
533.19025	2.3
533.26221	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	533.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81110	1.3
58.00583	2.4
59.01378	48.8
60.99327	1.2
61.65668	1.7
61.98826	1.7
69.03443	4.3
71.01380	53.1
72.99292	3.0
73.02949	8.7
75.00872	2.3
81.03451	2.5
83.01389	4.1
85.02948	8.5
87.00838	3.6
88.98830	6.3
89.02442	70.8
93.03492	1.6
95.01374	1.9
96.96004	1.3
97.02953	9.7
99.00878	12.6
101.02428	17.1
113.02434	7.7
115.04012	6.1
119.03451	1.6
125.02444	38.3
128.03546	2.4
129.01883	1.5
131.03488	10.1
135.04485	4.4
139.31224	1.3
143.03441	3.8
145.01402	2.0
145.02834	1.5
146.03740	49.6
147.04399	1.6
149.04533	18.9
151.00386	1.3
156.84863	1.3
157.01448	1.5
161.04677	2.4
161.06065	14.4
163.04015	1.9
164.04784	29.4
164.48123	1.4
173.04501	1.9
179.03442	1.8
179.05702	2.6
179.07129	44.6
191.05632	21.2
223.06024	3.2
223.09647	1.5
226.09041	1.4
233.06641	33.5
293.08774	100.0
294.08853	2.2
306.07672	3.6
389.57492	1.4
459.17206	1.6
471.13660	2.3
533.18433	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	533.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34785	0.7
57.03444	1.3
59.01379	4.6
61.98824	5.4
70.39689	3.0
71.01383	3.3
71.05030	0.7
76.00576	0.7
81.03453	7.9
83.01385	4.9
89.10204	0.7
93.03461	7.5
95.01363	1.1
95.05027	6.7
97.02918	4.3
97.06580	1.1
99.04520	3.1
107.05052	0.9
109.02958	1.4
109.06609	0.8
111.04514	1.6
113.02453	0.8
119.05033	10.1
121.02927	1.8
122.03723	1.3
123.00903	1.0
123.04534	12.7
125.02448	21.3
135.04517	2.0
135.08179	3.5
137.02428	4.5
137.06076	9.2
138.03259	0.9
139.03992	4.2
141.05614	0.8
147.04527	2.5
149.02428	1.0
149.06078	1.0
149.09731	1.6
150.90369	0.7
151.03987	1.6
151.07677	1.3
153.09135	1.0
155.03525	1.1
159.04532	1.0
159.08020	0.9
160.78998	0.7
161.02460	1.3
161.06038	1.0
163.07649	1.5
165.01929	1.4
165.05573	7.6
166.02682	1.1
167.03491	51.2
171.08037	1.0
173.04601	1.2
173.05983	1.5
175.07652	1.5
177.05580	1.3
177.09210	6.4
179.03511	8.0
179.07108	5.3
180.04233	0.9
181.05037	2.4
183.04523	1.0
184.72404	0.9
184.89696	0.7
189.05533	7.9
189.09155	0.9
191.03557	1.8
191.05540	3.0
191.07191	2.2
191.10712	1.9
193.05058	1.0
193.08687	0.9
197.04524	5.9
199.07631	1.4
201.09270	1.4
205.05008	1.3
205.08618	1.2
209.04555	16.8
219.06694	0.8
219.10197	2.7
221.04517	2.5
221.08167	12.4
223.09854	1.2
225.05707	1.1
227.07074	1.5
229.08653	0.9
231.06656	1.3
233.08150	5.0
235.09763	0.8
239.05589	1.2
245.08145	1.4
247.09656	1.3
251.09200	1.2
261.07547	1.1
263.09305	4.0
267.48184	0.9
269.04474	3.4
273.07697	14.3
275.09296	2.0
285.07675	2.1
293.10257	1.0
315.08731	77.4
316.09116	2.3
317.04929	1.0
327.08908	1.3
327.12402	5.3
339.12286	1.8
345.09769	20.6
346.10193	1.4
357.09689	1.3
369.13412	21.0
370.13724	1.0
371.15024	3.3
381.13443	0.9
383.14935	1.7
399.14511	8.2
413.16031	100.0
414.16382	7.2
425.16135	3.2
443.17062	48.4
444.17395	3.9
455.16995	2.0
483.12811	0.8
497.18024	1.9
515.19098	8.0
533.20239	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	533.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.2
59.01373	1.2
59.42733	0.2
59.72933	0.2
60.79980	0.2
66.97873	0.2
71.00865	0.3
71.01383	0.7
72.67632	0.2
73.02922	0.2
81.03445	0.4
83.05036	0.3
85.02951	7.9
87.00873	2.3
93.03458	2.7
99.04517	0.4
99.50964	0.3
101.91519	0.2
109.02947	0.7
111.04519	1.1
117.01929	0.2
127.04003	2.0
134.53783	0.2
137.02400	0.2
148.94879	0.2
155.03540	0.2
171.02971	0.5
173.04541	1.0
173.08417	0.2
187.44716	0.2
191.05602	100.0
192.05943	2.4
224.01610	0.2
326.51443	0.2
449.24393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87395	0.7
55.01869	1.0
58.00583	2.1
59.01379	63.0
61.98839	0.9
67.01877	1.4
70.55407	1.7
70.55782	1.3
71.01381	32.3
72.99289	2.5
83.01385	1.6
85.02942	6.4
87.00865	0.9
89.02443	33.6
95.01392	2.0
101.02442	17.7
109.02927	1.1
113.02436	9.8
119.03506	12.9
126.67516	0.7
143.05032	0.8
149.04558	0.9
159.04466	2.2
160.05299	1.0
161.04599	1.1
162.71783	0.7
171.04506	1.5
179.05641	1.7
187.04004	8.8
188.04781	25.9
189.05263	1.0
203.07133	44.9
242.25941	0.9
274.48221	0.7
338.07962	2.3
339.08844	1.0
353.10223	4.8
371.11319	2.5
533.16626	100.0
534.16998	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	533.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
56.41175	0.4
57.03434	1.0
58.00579	0.6
59.01378	19.8
61.98822	3.2
68.99805	0.7
69.03445	1.2
69.56490	3.0
71.01381	12.4
72.99312	0.6
73.02934	1.3
83.01384	1.6
84.02168	2.4
85.02940	7.7
85.20538	0.5
87.00874	0.8
87.65111	0.5
89.02443	15.3
93.03452	1.7
95.01377	2.1
96.96005	0.7
97.02962	1.2
101.02441	5.5
101.32935	0.6
107.05042	0.7
108.02165	14.1
109.02962	5.5
111.00845	0.5
113.02446	5.0
115.67899	0.5
119.03510	6.4
119.05003	1.7
121.02959	6.8
122.03734	2.9
123.00870	1.1
123.04505	4.9
123.32253	0.5
131.03490	0.8
131.04980	0.6
133.02982	0.9
133.06538	0.6
134.03757	1.6
135.00893	1.0
135.04506	1.3
136.01660	30.9
137.02448	8.1
143.03535	0.7
143.04933	1.1
145.02890	0.9
145.06558	0.6
146.03717	1.7
147.04526	3.3
148.05331	4.1
149.02486	1.1
149.04408	0.6
149.06067	3.3
149.20992	0.6
150.03241	1.1
151.03999	36.3
152.01047	0.6
152.04330	0.9
154.47496	0.5
158.03601	0.4
159.04509	4.8
160.01697	1.1
160.05304	3.9
161.02415	1.6
161.04558	1.6
161.06064	3.7
162.03215	1.4
162.06827	2.2
163.03995	3.6
163.07590	2.7
164.04707	0.6
165.01907	23.0
166.02301	0.8
171.04547	0.9
172.05296	5.3
173.05992	1.7
174.03165	0.8
174.06674	0.5
175.02702	0.7
175.03992	6.1
175.07603	2.2
176.04768	10.2
177.01811	0.7
177.05577	3.2
179.05563	2.8
187.04027	2.6
187.07675	2.4
188.04745	4.3
189.05565	16.3
190.06343	23.5
191.03673	2.4
191.05647	1.2
191.07123	25.0
192.07507	1.0
193.05035	0.7
201.05527	1.2
203.07135	12.0
205.05064	6.5
205.08670	10.0
206.05658	0.7
217.04988	2.7
219.06619	1.3
221.08145	2.4
267.06744	0.7
280.07462	0.6
291.06735	0.9
292.07495	0.7
295.06097	1.2
296.06854	1.2
307.06122	1.2
308.06903	2.1
309.07672	0.6
310.08466	0.7
311.09302	7.2
323.05710	0.8
323.09164	3.2
323.12497	0.7
324.09869	0.9
325.10947	1.2
338.07858	1.2
341.10275	36.2
342.10928	4.8
344.94547	0.6
353.10284	21.6
354.10687	1.3
355.08145	2.8
370.10510	1.6
371.11319	100.0
372.11649	6.9
533.17194	2.6
550.81366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
55.61502	0.4
57.03448	1.2
58.00591	3.6
59.01380	87.6
60.01713	0.6
61.98839	3.3
63.23743	0.3
68.99809	1.2
69.03445	0.5
71.01382	64.2
71.55022	0.4
72.01731	0.7
72.99306	4.8
73.02941	1.6
75.91078	0.3
83.01374	2.1
85.02952	10.2
87.00878	3.7
89.02445	100.0
90.02774	0.8
93.03452	1.5
95.01381	4.6
96.95997	2.8
97.03010	0.5
98.28060	0.4
99.00916	0.4
101.02444	31.4
108.02167	4.4
109.02972	0.5
110.67089	0.3
113.02452	25.4
119.03503	36.7
119.04944	1.0
120.03834	0.6
121.02962	1.5
123.00855	0.6
123.04513	2.8
125.02441	1.4
131.03511	4.6
131.05034	1.4
133.01434	0.5
133.02953	0.4
134.03741	0.7
135.04555	0.4
136.01663	71.6
137.02066	1.4
143.03499	7.2
143.05009	1.2
145.02934	1.3
149.04568	3.7
149.05785	0.5
151.04007	89.1
152.04309	2.8
158.03636	0.6
159.04521	6.3
160.82933	0.4
161.04564	6.8
161.05933	0.7
163.04031	0.9
165.01878	0.7
171.04486	0.9
173.02499	0.5
173.04381	0.5
174.03313	0.5
179.05612	19.1
180.05840	0.5
187.03993	0.6
189.05592	1.2
189.29071	0.4
191.05614	0.9
199.04024	3.3
202.02789	0.6
204.07883	0.4
217.04962	2.8
234.06754	0.7
235.07594	0.4
249.05557	0.5
261.05496	0.7
262.06311	1.1
263.07120	1.4
279.06653	1.4
280.07550	0.7
284.03226	0.9
285.03998	1.1
289.05048	0.7
290.05780	1.2
291.06635	2.7
292.07361	1.6
293.08118	0.7
296.07059	0.4
305.08133	2.1
307.06110	3.6
308.03577	0.6
308.06891	8.9
319.06042	1.7
320.06915	2.6
321.07330	0.4
323.09210	15.4
324.09558	1.0
335.09250	1.5
341.10538	0.6
353.10269	14.1
354.10699	1.0
359.14505	0.4
371.11142	0.7
511.48898	0.4
516.65350	0.4
533.16583	1.7
533.31036	0.6
552.79956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1302
Annotation	Rhamnazin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01371	2.0
60.13431	0.6
61.98824	1.4
63.21574	0.4
65.00328	0.8
69.03444	0.8
69.87073	1.8
71.01362	1.2
72.58539	0.6
73.02933	0.6
74.99106	1.2
77.85503	0.6
78.40608	0.4
85.02940	1.2
88.44431	0.5
90.04230	0.5
93.03445	1.9
98.19930	0.5
110.00092	4.2
111.00885	1.0
111.04494	1.0
117.03461	1.1
121.02946	0.6
123.04516	1.4
125.02425	2.1
126.02700	0.4
132.02202	0.6
133.02945	2.6
134.00117	1.2
134.03764	3.9
136.98952	1.1
137.02451	1.3
137.99600	2.9
139.00389	1.3
139.11226	0.8
141.03378	0.4
145.02943	1.0
149.02399	1.0
149.99564	0.9
151.04028	4.8
153.01930	14.5
154.04230	2.1
155.03532	2.3
156.02139	2.9
160.01688	0.8
161.02403	0.8
164.98271	5.5
165.99097	4.8
168.00668	0.6
169.06615	0.9
170.03697	0.7
171.04512	0.9
173.02396	1.3
173.04570	3.1
175.03999	1.9
177.99072	1.2
178.99864	0.6
180.00630	1.8
182.03717	1.2
183.03000	1.0
183.04529	1.6
183.10262	7.0
184.05106	0.5
185.06056	0.7
186.03232	3.6
191.03426	0.6
192.00594	0.7
193.01337	1.0
193.05067	2.9
198.03192	3.5
199.04073	0.7
207.02969	1.5
208.00133	1.0
213.05557	1.3
214.02734	1.9
215.03491	0.8
219.02910	0.6
226.02733	5.4
227.03491	3.0
229.05080	3.6
241.01460	0.6
241.05023	1.0
242.02191	18.9
243.02748	1.4
243.06418	0.7
249.03972	0.8
253.01393	0.6
254.02232	1.2
255.02930	1.5
256.03806	1.1
257.00925	0.7
257.04544	1.7
269.04526	1.0
270.01691	96.2
271.02206	7.5
283.02692	0.7
283.06024	0.7
284.03217	1.3
285.04065	40.6
286.04269	0.9
297.07706	0.7
298.01169	7.3
299.01993	17.4
299.05276	0.8
300.02744	0.7
308.92365	0.5
313.03543	100.0
314.04288	48.2
315.05005	7.7
327.05106	1.2
328.05865	68.9
329.06650	98.9
330.06934	5.5
339.14526	2.1
341.06274	3.6
349.09225	2.4
369.06204	1.0
371.11734	0.6
392.01505	0.7
397.07849	1.3
501.10968	0.8
518.10504	2.2
533.13049	33.4
533.20264	3.2
534.13690	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	533.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
59.01384	9.9
61.98828	5.7
68.18085	0.6
68.96037	0.7
71.01387	3.8
71.54778	0.9
73.02950	1.1
74.52531	0.6
83.01398	1.0
85.02950	4.7
87.00874	0.9
89.02407	1.6
91.05148	0.8
93.03467	1.2
95.01400	0.7
96.95997	0.8
101.02437	1.6
106.10976	0.7
109.18424	0.6
110.00093	1.9
111.00882	2.0
117.03477	1.0
119.03525	0.8
121.02952	1.1
123.04486	1.9
125.02412	1.1
129.01917	2.1
133.02946	2.0
133.10210	0.6
134.03720	0.9
145.02942	2.2
149.02475	0.7
149.99553	0.8
151.04031	2.7
153.01967	3.9
154.04266	3.6
156.02155	2.7
163.03995	1.5
164.98299	3.0
165.99068	1.6
167.03430	1.2
170.03706	1.4
173.02473	1.0
173.04530	1.4
175.03986	1.5
177.98988	0.7
179.03474	0.8
179.10663	0.8
180.00620	0.7
182.03697	1.6
183.04457	0.9
183.10246	1.5
185.11876	1.6
186.03198	2.8
191.05573	1.4
193.05020	1.5
198.03143	3.3
207.03073	1.0
213.05551	1.5
214.02768	1.4
221.00829	0.8
226.02744	5.3
227.03471	1.6
229.05040	3.1
241.01559	1.1
241.05112	0.8
242.02196	16.0
243.02827	1.7
254.02228	1.6
255.02979	2.3
256.03891	0.7
257.04611	2.8
261.03687	1.2
269.00815	1.0
270.01700	100.0
271.02295	7.5
283.02487	1.1
283.05826	0.8
284.03268	3.0
285.04065	40.7
286.04517	1.7
298.01184	8.2
299.01947	8.7
299.05460	2.2
313.03552	98.9
314.04263	24.6
315.04654	3.2
326.04385	0.8
327.05173	2.1
327.12177	0.9
328.05893	61.5
329.06659	62.8
330.07031	2.1
341.06561	3.8
371.24380	1.4
441.08228	1.5
473.10889	27.3
474.11060	1.5
489.10461	1.5
518.10608	2.4
533.12903	19.2
533.20715	1.5
533.30634	6.4
534.13202	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34070	0.5
59.01381	3.7
62.33907	0.5
69.51631	3.4
77.31881	0.5
84.95113	2.1
85.02933	1.0
88.26046	0.5
89.02436	0.8
93.03483	0.8
101.02409	1.0
107.01372	1.7
117.08167	0.5
132.02199	0.8
135.00848	1.2
151.00354	2.2
159.04541	0.5
163.00356	1.2
178.99863	0.8
183.04575	0.6
185.06091	0.8
187.04010	1.6
189.05707	0.5
199.04033	0.9
203.07106	0.8
211.03975	1.5
213.05528	1.6
227.03476	26.3
228.03961	1.1
229.04979	3.2
239.03476	1.2
255.02966	62.7
256.03455	4.2
257.04523	3.0
279.92026	0.5
283.02448	1.0
284.03241	100.0
285.03964	30.0
286.04352	1.7
327.05182	1.2
371.11780	0.7
447.09311	2.9
489.10355	76.8
490.10645	5.5
533.16608	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	533.13
Annotation	Rhamnazin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01376	4.9
61.98827	5.6
65.00333	0.8
69.24645	0.9
69.25032	4.1
71.01394	1.7
73.02965	0.5
74.25737	0.4
75.62345	0.5
83.81170	0.4
85.02959	2.0
87.00880	0.5
87.52737	0.4
89.02422	0.6
91.18322	0.5
93.03490	0.8
96.96016	1.4
101.02444	1.1
101.99412	0.5
108.02197	0.7
110.00108	1.4
117.03465	0.7
119.05022	1.0
121.02937	0.5
123.04536	2.0
133.02928	1.1
134.00092	0.5
134.03700	0.6
137.02455	0.5
145.02992	2.2
149.02406	0.8
149.99588	0.7
151.03996	1.5
154.04282	1.9
155.05011	1.8
156.02148	2.4
163.03984	1.9
164.98245	0.7
165.01863	0.5
165.99075	2.1
167.03459	1.2
170.03723	1.2
171.04631	0.5
173.02486	0.7
173.04643	0.6
175.04041	0.7
177.99120	0.6
181.05070	0.9
182.03720	1.3
183.04474	0.6
183.10219	1.1
185.06067	0.6
186.01762	0.5
186.03224	2.2
187.04060	0.5
193.05028	0.7
197.02480	1.0
198.03230	2.7
199.03955	1.8
203.07166	1.2
207.03024	1.0
209.04553	1.9
213.05565	0.7
214.02718	1.4
215.03532	0.9
221.04570	1.1
226.02733	3.4
227.03394	1.5
229.04955	2.4
241.05133	0.9
242.02200	11.9
243.02995	3.3
254.02153	1.7
255.02895	0.8
257.01028	0.6
257.04578	1.7
265.07068	0.7
269.04489	2.8
270.01675	73.2
271.02438	48.2
272.02792	1.9
284.03296	0.9
285.04022	25.8
286.04565	1.7
298.01175	7.7
299.01910	8.0
300.02838	0.5
313.03516	92.0
314.04254	34.4
315.04718	0.9
328.05850	13.0
329.06595	31.2
330.06921	1.2
341.08783	1.0
355.77728	0.6
371.14951	0.5
518.10590	10.2
533.12927	100.0
534.13135	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	532.9812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	61.8
60.01694	1.0
61.35267	0.4
61.98828	25.2
63.30358	0.4
63.99241	0.5
66.03780	0.4
71.53018	0.5
78.41783	0.4
84.68919	0.4
90.97130	1.5
108.89629	0.5
118.96660	1.0
131.24332	0.4
132.98164	2.7
149.10828	0.5
156.99908	1.2
174.99240	28.2
175.48932	0.4
201.02521	0.7
217.00279	100.0
218.00656	2.0
314.99036	0.5
359.01431	1.4
374.99200	78.6
375.99451	2.4
406.54935	0.5
410.35654	0.4
437.85202	0.4
516.58685	0.5
532.98242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88779	1.5
59.01374	6.5
60.57522	1.5
61.11951	1.8
61.98822	2.7
65.00330	1.8
66.23176	1.4
69.31672	12.7
85.02938	4.2
88.21163	1.4
101.02460	3.0
101.10834	1.5
111.00890	2.1
124.27480	1.5
132.02193	1.5
134.03754	1.9
144.93356	1.7
148.88402	1.8
151.00378	3.3
167.03354	2.1
187.03978	1.6
227.03494	24.7
229.05083	4.8
247.88185	1.6
255.02988	60.2
256.03564	5.4
257.04529	2.9
283.02646	1.9
284.03265	100.0
285.04001	30.3
286.03955	2.3
299.01816	2.3
314.04370	2.7
447.09091	2.9
460.12286	2.0
489.10425	64.2
489.17609	3.2
490.10922	6.3
533.13080	3.8
533.20673	4.2
533.29596	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10267	4.3
59.01357	8.0
61.98832	29.2
65.73862	4.2
71.54520	4.4
71.54913	5.3
72.98957	5.6
72.99281	25.2
78.95900	31.5
96.67549	4.2
102.09799	4.3
131.79810	3.8
178.88400	13.2
180.89996	5.9
196.89479	100.0
205.23442	5.0
255.23338	16.6
256.23627	11.6
335.99307	4.0
481.31808	7.1
531.14532	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	531.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	14.3
66.70499	10.6
69.20926	100.0
69.47492	9.0
69.48567	10.8
71.75989	10.1
136.87852	10.3
347.43692	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	532.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42973	0.9
50.48610	1.0
52.64932	0.9
57.03458	16.1
59.01387	11.3
61.98833	100.0
68.99565	1.6
71.01385	8.2
72.01742	1.1
73.02966	2.6
81.03478	1.0
83.01358	1.1
85.02952	9.3
86.03270	1.2
86.46011	1.1
88.56255	1.0
88.98785	1.4
89.02475	2.5
90.61571	0.8
93.03455	2.1
96.95996	1.2
99.04531	15.8
101.02443	7.5
111.00899	1.7
112.98573	1.7
113.02458	4.7
117.03452	1.2
121.02959	2.3
123.04502	1.1
125.02450	9.2
128.38388	1.1
129.01927	2.3
132.05811	3.6
134.03740	6.5
135.04321	1.7
137.02434	1.9
139.11235	1.6
143.03525	1.2
145.02898	3.1
148.05295	20.2
149.02443	1.8
152.01129	1.5
155.10823	2.2
160.01662	1.2
161.02324	1.2
161.04561	2.3
163.03995	2.4
163.07658	28.6
164.04822	2.2
167.03531	1.5
173.04526	2.0
175.03989	1.9
179.03476	2.4
179.05614	1.4
190.46591	1.1
191.05606	2.3
193.05049	6.5
194.05354	3.4
200.09895	1.0
206.05550	1.1
241.16017	5.8
270.01648	1.4
285.14963	9.7
294.10602	1.4
299.01859	1.7
313.03671	2.3
328.05695	1.2
329.06741	2.9
356.09024	3.1
371.11282	2.8
469.17325	4.8
482.34808	1.1
483.82776	1.2
531.28204	3.7
532.29382	5.6
533.12915	4.3
533.29358	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.2
59.01382	2.2
59.34332	0.2
59.67112	0.2
61.98830	100.0
68.99807	0.2
70.73584	0.3
71.01380	1.0
72.99306	0.2
73.02950	0.4
85.02948	1.0
89.02451	0.6
93.03455	0.4
96.96020	1.9
99.00906	0.2
101.02453	0.7
102.77051	0.2
119.03563	0.3
124.98866	0.3
129.02003	0.2
137.02464	0.5
139.11380	0.2
140.98308	2.1
145.03052	0.2
149.02446	0.4
152.98273	0.3
161.02435	0.4
163.04012	0.3
163.08794	0.4
164.04800	0.3
164.09210	0.3
170.99393	1.1
174.53236	0.2
183.10295	0.2
191.05652	0.4
193.05028	0.4
200.67900	0.2
201.11382	0.2
202.02962	0.2
223.06218	0.6
236.49179	0.2
306.16223	0.2
307.16425	0.2
308.16898	0.2
340.24200	0.2
445.11890	0.7
487.12604	0.9
487.25403	0.2
531.12079	0.4
531.20795	0.3
531.28406	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	531.1505
Annotation	Luteolin 7-[6''-(2-methylbutyryl)glucoside]
Peak:m/z	Relative Intensity
57.03471	0.2
59.34474	0.2
63.02391	1.5
64.33530	0.2
65.00307	1.3
68.97618	0.2
72.76513	0.2
73.02933	0.3
76.49691	0.2
79.33848	0.2
83.01388	1.1
85.02956	0.5
89.02427	0.3
93.03455	0.4
95.01373	0.3
101.02429	0.4
101.06099	0.3
107.01381	2.6
108.02167	1.4
109.02942	1.1
119.05022	4.2
119.12115	0.2
119.52441	0.2
121.02938	1.4
123.00858	0.3
125.02462	0.5
131.20700	0.2
132.02167	0.2
133.02948	4.8
134.03751	1.4
135.04492	0.4
136.01666	1.2
137.02423	1.2
143.05072	0.3
145.02985	0.2
146.03690	0.2
147.04457	0.2
148.01651	0.4
149.02420	1.3
149.99577	0.4
150.03223	0.2
151.00366	5.1
159.04477	0.4
161.06084	0.6
163.00345	0.2
163.03996	4.2
165.01933	1.3
171.04449	0.3
174.03265	0.2
174.24799	0.2
175.03963	1.8
177.01898	0.4
183.04454	0.7
185.06065	0.2
187.03995	0.6
189.05551	0.6
191.05539	0.7
191.07063	0.3
197.06036	0.4
198.03224	0.3
199.03987	2.3
200.04756	0.6
201.01962	0.4
211.03951	1.6
212.04712	0.6
213.05644	0.3
215.03415	0.3
217.05009	0.9
219.06561	0.3
225.05666	0.2
225.11189	0.3
227.03494	2.1
228.04245	0.3
229.05048	0.2
239.03514	0.6
240.04129	0.2
241.04990	0.9
243.02888	0.5
255.03012	1.5
256.03763	4.6
257.04492	0.4
267.02884	0.7
283.02466	1.1
284.03244	74.1
285.04001	90.8
286.04385	3.9
297.03979	0.6
311.05557	0.3
311.09177	0.4
327.05045	0.9
339.08624	0.4
340.09415	1.3
341.10199	0.3
369.09726	10.3
370.09946	0.5
374.05945	0.3
487.25610	0.8
531.15039	100.0
532.15387	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	531.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.2
57.03444	1.5
58.00600	2.6
58.90496	0.6
59.01376	100.0
60.01700	0.8
61.98826	5.1
64.12334	0.6
69.03457	4.6
69.23902	3.1
69.24320	3.8
70.99583	0.6
71.01380	47.3
72.56631	0.8
72.99306	6.3
73.02943	22.3
79.01890	1.3
81.03456	4.3
83.01385	5.3
83.05009	0.7
85.02946	18.6
87.00894	3.0
89.02446	26.7
93.03453	0.9
95.01406	1.7
97.02949	9.1
98.19929	1.5
99.00891	2.4
101.02440	36.6
103.04008	30.5
109.02994	0.8
113.02460	5.2
115.04021	1.3
119.03499	15.3
119.04964	0.8
125.02444	32.3
126.02796	0.9
127.04008	2.7
129.01935	0.7
131.03511	1.7
133.05078	0.7
134.03712	1.7
143.03493	3.3
145.05072	5.2
148.05307	33.9
149.04573	0.9
149.05675	0.9
163.04063	1.5
163.06145	35.0
163.07651	10.6
165.45900	0.7
191.01939	1.2
191.05643	1.2
193.05148	1.3
205.07198	1.9
209.99251	0.7
247.08191	8.2
270.10599	0.7
289.09384	0.7
303.82388	0.7
307.10330	27.2
308.10535	1.2
309.11365	2.9
471.26270	0.9
497.04898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55594	0.2
56.25292	0.2
60.67062	0.1
61.98830	0.5
62.96405	0.3
71.54331	0.2
78.95901	25.0
96.96959	0.8
99.92579	0.5
115.92080	0.4
116.92845	0.9
150.98027	0.3
152.99591	2.2
162.25043	0.2
162.88919	0.3
163.89685	0.2
178.88423	14.2
179.89256	5.0
180.90005	7.3
194.88016	0.9
194.89731	0.2
196.89474	100.0
197.89487	3.2
198.89775	0.3
208.89531	0.1
212.88916	0.3
234.91034	0.6
235.91795	0.7
236.92558	0.2
252.92104	0.8
255.23288	3.0
256.23599	0.8
276.30478	0.2
321.74484	0.2
355.16641	0.2
411.21829	0.4
431.21997	0.3
453.07727	0.3
455.09341	1.4
457.10904	0.7
480.30972	0.7
481.31366	0.6
495.12656	0.5
513.13739	1.2
527.11316	0.5
531.14545	11.0
532.14874	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.3
57.03445	12.5
59.01381	10.6
61.98831	6.9
71.01379	7.1
71.55513	0.8
72.99314	1.0
73.02947	2.5
75.00898	0.7
78.95915	0.9
79.95730	1.2
80.14896	0.5
81.03466	0.6
83.01382	5.3
83.05009	0.7
84.02170	2.6
85.02950	100.0
86.03281	0.9
87.00873	1.5
88.98778	0.6
89.02448	4.2
89.03965	0.6
93.03461	1.8
95.01396	0.5
96.96014	37.4
96.96997	1.9
99.00871	1.0
99.04487	1.1
101.02440	3.3
108.02177	0.6
109.02968	1.0
111.00887	11.5
112.98575	0.9
113.02451	2.0
114.77496	0.5
115.00356	0.5
116.07188	3.3
117.03466	2.7
119.03499	1.6
119.05025	12.8
120.32625	0.5
123.04497	1.0
125.02479	2.8
125.06071	0.8
127.03960	0.5
129.01947	24.7
133.02966	1.2
134.03757	12.7
135.04526	1.9
137.02452	1.3
137.06088	0.5
145.02953	8.4
147.03006	15.1
149.02505	0.6
149.06114	1.6
156.05861	0.6
160.01662	3.6
161.02412	1.8
161.04536	1.2
161.05962	0.5
163.02617	0.7
163.04002	13.4
167.03490	1.2
168.00591	1.3
173.00909	10.1
173.04529	1.6
175.04012	4.9
177.01930	0.8
177.05576	0.6
178.02785	1.0
179.03532	1.0
179.05568	1.0
183.10263	0.7
191.01997	12.2
191.05573	3.3
193.05060	10.9
203.07172	0.7
209.02998	1.7
209.04688	1.2
228.04436	0.5
231.06621	2.1
261.07681	2.2
293.06754	1.0
298.86737	0.6
300.02698	1.1
301.03415	1.0
323.07724	2.9
333.17062	1.3
337.05789	1.9
355.06750	1.7
367.06741	1.6
369.23169	0.8
385.07831	1.6
411.15610	1.3
423.86905	0.5
433.07687	1.1
441.16937	0.6
460.36496	0.5
469.20987	0.5
487.21924	5.7
530.26318	0.8
531.17603	2.1
531.26788	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	530.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15183	0.3
61.98830	3.3
67.08746	0.2
78.09119	0.3
78.95905	16.8
85.02927	0.4
87.00849	0.3
88.98783	0.6
93.03468	0.3
97.57227	0.3
98.20724	0.7
152.99597	2.6
168.04303	2.5
191.05580	1.1
192.05884	0.4
224.06915	8.5
242.07910	1.6
255.23285	100.0
256.23618	5.0
277.21750	1.9
379.97092	0.3
445.23529	0.7
470.76987	0.4
480.30920	73.2
481.31293	6.0
524.02710	0.3
529.75433	1.2
552.63263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
57.03446	12.3
59.01372	5.8
60.79344	0.5
61.90622	0.5
61.98822	1.8
67.01875	0.9
71.01390	4.0
71.54921	0.9
72.99308	1.1
73.02939	1.1
82.95412	1.2
83.01381	5.8
84.02171	1.6
85.02950	100.0
86.03291	1.8
87.00881	1.2
89.02435	1.0
93.03447	2.6
96.96038	1.8
101.02447	1.7
103.00372	0.8
109.02946	3.5
111.00879	15.8
117.03481	2.8
119.05031	17.7
127.03987	0.6
129.01942	39.8
130.02248	0.7
132.02219	0.6
133.02959	0.8
134.03749	14.9
137.02431	1.4
145.02948	8.0
147.03004	13.3
147.04478	1.9
148.03307	0.6
149.06107	2.2
157.02933	1.3
159.04526	2.6
160.01657	3.7
161.02480	0.6
163.04005	21.9
173.00902	14.0
173.02321	0.7
173.04552	2.3
174.04985	0.8
175.04007	5.5
176.47467	0.5
178.02702	1.7
191.01985	9.0
191.05606	15.2
193.05040	13.9
194.05566	0.7
209.03033	1.8
229.01382	7.4
230.02007	0.6
231.06654	2.4
234.32437	0.6
239.07170	0.6
249.05577	1.3
251.23108	0.5
261.07724	2.0
266.05923	0.6
267.06595	3.6
277.05011	2.8
293.04126	0.8
293.06882	1.0
294.05444	0.9
295.06143	6.0
323.07767	2.4
337.05643	3.1
339.05087	24.6
340.05371	1.0
355.06680	1.2
367.06784	2.5
385.07608	2.7
450.15030	1.2
487.21347	0.6
531.11389	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	529.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70370	0.3
55.01875	0.3
57.03439	0.2
58.00587	0.4
59.01375	6.5
61.01921	0.3
61.98828	0.6
70.76787	0.5
71.01384	6.0
72.99281	0.6
73.02944	0.8
81.62644	0.3
83.01412	0.7
85.02957	1.7
87.00877	1.1
89.02445	5.3
93.03450	2.5
95.01318	0.5
96.95999	0.7
99.00871	0.3
99.04538	0.3
101.02439	5.1
102.05597	0.2
111.04529	0.3
111.08176	0.7
113.02449	2.3
113.09712	0.3
115.13118	0.3
119.03488	1.8
125.02480	0.3
129.97504	0.3
134.03746	1.8
135.04546	1.7
143.03462	0.7
147.18266	0.3
153.68199	0.3
161.04559	2.3
167.10797	0.4
173.04492	1.7
177.01938	0.6
177.12830	0.7
178.02704	0.6
179.03444	0.4
179.05574	0.9
179.14409	0.9
181.12358	0.4
191.05614	2.2
195.13908	8.7
196.14594	0.4
205.12270	0.6
211.13336	0.6
223.13405	5.5
228.13632	0.8
231.21225	0.4
235.08302	0.4
253.09276	31.4
254.09596	0.7
256.13116	1.4
265.21695	0.4
275.20160	5.3
276.20361	0.4
293.21225	100.0
294.21536	5.4
305.20947	0.3
351.39752	0.3
355.15552	2.4
370.34460	0.3
492.22299	0.7
529.20789	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86740	1.3
57.03438	5.1
58.00581	1.5
59.01377	100.0
60.01753	1.1
61.98825	21.4
67.01900	1.5
68.99570	4.8
69.69683	7.7
71.01378	43.0
71.24266	1.1
72.99312	3.7
73.02942	13.3
75.00817	1.2
83.01385	4.1
83.74524	1.2
85.02951	25.4
87.00878	3.1
88.98818	4.3
89.02438	18.8
93.03442	2.0
95.01383	7.2
96.96032	2.7
99.00889	3.7
99.25574	1.5
101.02435	15.8
111.00875	1.7
112.98547	3.1
113.02444	40.1
114.02810	1.5
114.05619	4.3
119.03515	4.2
119.05004	7.1
121.02918	1.3
122.02496	2.1
123.04478	2.1
125.02459	2.2
129.01965	1.6
134.03764	1.7
135.04535	2.0
136.63016	1.2
139.07632	2.5
139.67461	1.4
140.10811	7.1
143.03441	2.3
145.02963	2.1
149.06062	1.6
151.03984	1.6
161.04538	8.6
161.05991	2.0
163.03981	3.2
166.08801	1.2
173.04588	2.7
176.01105	1.3
179.05605	2.1
183.10266	4.3
184.09770	25.1
191.03540	2.4
191.05608	4.5
197.04633	1.7
209.04523	1.7
222.06801	1.4
224.16550	2.0
240.47292	1.6
264.19772	2.4
265.07126	2.8
278.92896	1.7
282.20688	2.3
293.10660	3.1
308.12802	6.6
311.11334	1.2
325.07053	2.3
353.08142	1.7
355.17715	2.6
364.16241	2.1
365.18082	4.4
411.20270	1.7
426.24930	51.8
427.25043	3.7
444.26035	22.6
467.16132	1.3
483.56207	1.3
486.27002	1.6
494.20770	2.1
530.18909	2.5
530.26233	22.5
531.11609	5.4
531.28143	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	529.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.0
60.99306	16.6
61.98827	1.5
70.80495	2.1
87.00885	1.8
88.00419	3.3
88.98805	100.0
89.02443	54.8
89.02999	1.1
89.03274	1.2
89.99168	1.0
99.67284	1.0
126.68341	1.0
131.20155	1.0
191.05669	1.3
201.59911	0.9
277.21680	1.6
291.23245	1.1
297.23288	0.9
438.94702	1.0
476.99658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1562
Annotation	Pikuroside
Peak:m/z	Relative Intensity
50.72886	0.6
53.50261	0.5
57.03444	1.3
59.01366	1.4
60.99307	5.5
61.98828	1.6
67.01894	14.3
69.03451	4.5
69.88202	0.6
71.01381	5.0
81.03452	2.7
83.05032	1.6
85.02946	2.0
85.06575	0.7
87.00880	18.8
93.03458	100.0
94.03794	1.8
96.96003	2.2
99.00897	1.7
99.04524	2.1
101.02451	0.8
109.02946	1.6
111.04523	14.3
111.10128	0.7
113.02492	1.5
115.04012	1.6
128.03540	1.9
129.01945	2.5
134.03757	14.3
137.02467	2.2
143.03560	0.8
144.04552	12.8
149.06046	4.7
155.03490	2.7
163.04085	0.6
167.03506	2.5
173.04547	56.4
174.04863	1.3
175.06143	3.9
177.01894	1.1
178.02681	4.4
188.03510	6.5
191.05623	19.3
193.05052	13.1
194.05363	0.9
212.94508	0.7
223.50488	0.6
234.85239	0.7
296.68451	0.7
314.54596	0.7
329.08664	1.5
337.09277	0.6
367.10269	3.2
420.32663	0.7
529.15613	72.8
530.15894	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	529.2586
Annotation	Desoxymorellin
Peak:m/z	Relative Intensity
54.83675	0.5
55.01862	0.6
57.03434	1.5
59.01105	0.9
59.01379	11.9
61.98537	1.0
61.98829	12.7
71.01381	22.3
71.55391	0.9
72.99297	0.7
73.02949	3.4
83.01376	1.0
84.24002	0.6
84.63859	0.6
85.02953	7.5
86.02459	2.7
87.00848	1.0
87.04501	0.7
88.04038	43.5
89.02438	2.3
93.03454	1.6
96.95994	1.5
97.02960	0.6
99.00857	1.2
101.02440	2.5
102.76986	0.6
109.02937	0.7
111.00890	1.2
113.02437	1.3
115.00367	9.4
119.05000	1.6
123.04520	1.0
129.01936	1.5
131.03502	3.7
131.13304	0.6
132.03041	4.0
134.03764	0.6
135.04474	1.0
137.02437	0.8
137.06117	0.6
137.09697	1.4
145.02896	0.8
149.04509	0.6
153.09209	0.8
161.02504	1.0
163.03954	1.3
167.03482	1.2
173.00821	0.8
173.04504	1.1
175.02406	1.3
179.03485	1.2
179.10867	0.6
183.10249	1.7
187.09515	0.6
187.13440	0.5
191.01979	0.5
191.05589	2.4
201.11292	0.8
209.04500	0.6
219.13945	0.7
243.17410	0.7
246.77789	0.6
256.77454	0.6
274.21802	0.6
275.20154	1.8
287.16541	1.8
293.21210	7.3
308.20355	1.4
309.18997	4.0
326.21567	44.6
327.19867	23.3
336.23587	1.2
339.73297	0.6
345.15472	0.7
363.16599	1.5
367.21286	2.2
398.23715	6.0
413.24768	12.7
414.23129	18.6
415.23395	1.2
442.22702	8.9
443.23233	0.9
449.24570	1.5
456.66678	0.6
467.25497	1.1
485.20151	5.8
485.26468	0.8
491.18619	0.9
493.20059	0.8
511.24878	5.8
529.25891	100.0
530.26276	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	528.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.2
61.98826	2.4
65.27477	0.4
71.01395	2.1
71.55052	0.3
71.55519	0.6
73.02957	1.5
77.29429	0.3
83.01390	1.3
83.54778	0.4
84.58151	0.4
84.58687	0.3
85.02962	1.3
87.00908	0.4
89.02422	0.5
96.95921	0.4
99.00887	0.6
101.02448	5.1
106.06624	6.3
113.02455	1.5
130.08710	0.4
142.06636	3.3
143.03568	0.5
156.58224	0.3
161.04550	1.4
163.08771	100.0
164.09145	2.2
170.76117	0.4
278.21527	0.4
304.11868	1.0
306.16138	86.7
307.16425	4.4
376.16684	2.9
390.18277	0.5
468.21396	29.2
469.21518	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	529.065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88707	0.2
59.01380	5.3
61.98825	1.8
67.01881	0.3
71.01379	1.5
71.54525	0.3
72.99297	0.2
73.02937	1.6
78.95911	1.3
79.95736	3.1
83.01378	0.3
85.02941	0.8
87.00868	0.5
89.02451	0.6
93.03445	1.4
96.96008	100.0
97.95926	0.4
101.02433	1.2
111.04533	0.4
113.02423	0.5
121.02968	1.1
133.03003	0.3
134.03737	2.1
135.04514	2.8
149.04555	0.4
161.02489	0.4
161.04536	0.7
173.04538	1.4
179.03493	2.4
179.10771	0.3
191.05614	6.3
191.20392	0.2
193.05038	1.9
227.03519	0.8
255.03026	1.5
277.72678	0.2
284.03345	2.2
285.04047	1.5
289.18005	0.3
307.19141	2.2
341.56085	0.3
353.08823	2.2
367.10233	2.9
431.09842	4.2
432.09973	0.3
529.13184	0.4
529.20587	0.5
529.26886	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	529.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
60.32057	1.5
61.98823	4.4
69.85712	1.4
71.54362	1.8
73.02951	1.7
99.92584	16.9
106.98692	1.4
116.92859	100.0
117.02017	1.6
133.31274	1.6
147.51309	1.5
205.66638	1.5
257.52637	1.6
266.46692	1.7
289.17258	1.7
447.13205	6.3
460.04715	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17418	1.7
57.17714	1.5
61.98819	5.0
70.75513	1.7
71.54316	1.9
71.54681	2.4
73.02930	3.8
93.03431	4.1
96.96007	2.1
99.92587	15.9
116.92860	100.0
117.02001	3.6
202.25725	1.9
244.31046	1.7
293.21246	3.4
342.11230	1.9
411.18283	2.4
460.04758	2.8
475.05719	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1562
Annotation	Pikuroside
Peak:m/z	Relative Intensity
50.82244	0.4
56.02312	0.5
57.03452	0.8
59.01371	1.8
60.99308	3.5
67.01892	8.7
69.03461	2.3
69.80222	2.3
71.01376	3.5
72.99316	0.6
75.71910	0.4
80.04317	0.4
81.03448	2.0
83.05015	1.4
85.02933	4.7
87.00873	12.3
87.01383	0.9
93.03458	61.9
94.03798	1.7
99.00882	1.4
99.04527	0.8
109.02961	1.0
111.04523	8.5
113.02453	0.6
117.03493	0.5
127.04021	1.5
129.01942	1.7
134.03741	16.4
135.04541	0.5
137.02435	2.7
139.04088	0.6
143.03484	0.5
149.06085	5.2
155.03448	2.5
173.04536	17.8
175.03969	0.7
178.02699	8.9
179.03374	0.7
188.10379	0.5
191.05608	100.0
192.05997	2.0
193.05046	23.8
194.05437	0.4
220.61261	0.4
280.56421	0.6
281.10330	0.8
367.10321	22.2
368.10834	1.1
409.11420	2.9
529.15594	95.8
530.15875	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	527.299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60171	56.9
56.33146	66.8
59.37905	63.8
60.86266	69.5
64.54080	60.6
80.84592	64.1
81.13377	57.9
154.41266	58.6
214.27657	72.0
234.32355	61.4
249.40260	70.5
249.63062	58.9
250.21909	58.2
302.36688	74.1
527.30157	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	0.7
59.01390	1.7
59.95884	0.4
61.98833	34.3
71.01390	3.1
71.54768	0.5
73.02944	2.7
75.33511	0.5
78.96895	0.5
85.02972	0.7
87.00893	1.2
89.02446	19.2
93.03460	0.6
96.96014	0.8
101.02455	1.2
103.04014	1.6
125.02467	0.5
128.10820	1.4
130.08746	65.2
131.03499	6.8
131.09111	0.8
133.02962	0.9
134.03712	1.8
135.03496	1.1
135.04532	21.8
136.04944	0.7
149.04559	100.0
150.04922	1.2
156.23390	0.5
161.02405	3.1
172.09796	55.6
173.10089	1.0
179.03490	19.6
180.03809	0.7
191.05554	0.8
191.71999	0.5
193.05054	0.8
216.08777	1.1
237.61276	0.5
240.81580	0.5
311.07727	29.8
312.07993	1.1
411.20212	0.5
469.21552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20987	0.6
55.01871	1.8
57.03448	13.8
59.01380	12.2
60.01699	0.7
61.98834	7.9
64.39053	0.7
69.03458	1.8
71.01383	6.2
71.04983	0.9
71.55840	1.3
72.99312	2.1
73.02947	5.3
75.00863	3.4
78.95924	1.0
83.01395	6.5
84.02151	2.4
85.02952	100.0
86.03292	1.6
87.00875	2.0
88.98823	0.8
89.02444	2.2
91.01888	0.9
94.98124	0.8
95.05026	0.7
96.96004	4.5
96.96949	0.9
101.02431	4.0
102.05576	0.7
107.01292	0.9
108.02178	2.6
109.02971	2.4
111.00889	13.3
111.01665	0.9
113.02467	2.6
116.92850	1.6
119.03493	0.8
119.05059	1.0
121.02950	2.0
123.04523	7.8
124.01604	1.1
125.02446	3.0
128.03519	1.2
129.01947	32.2
130.08714	0.8
133.02979	1.1
135.04538	2.1
137.02406	1.7
137.06071	1.1
139.04016	1.6
147.02980	5.7
149.02515	1.3
151.00381	2.0
152.01155	2.7
153.01970	5.5
153.05548	1.5
155.10687	1.3
161.02441	2.7
161.04578	0.8
163.04022	1.6
167.03487	22.2
173.00911	12.4
175.03949	0.8
179.03476	1.8
182.02194	1.0
183.10239	1.3
185.11810	18.1
191.01970	5.9
191.05679	0.8
192.04356	0.9
197.04497	2.9
199.09827	1.1
207.06732	1.0
209.04593	1.1
235.06123	3.3
253.14487	6.8
260.58228	0.7
274.16589	0.7
278.17545	1.4
279.05060	0.8
279.17709	0.8
297.06226	4.0
297.13416	1.4
300.02505	1.0
305.14020	0.9
315.14401	7.0
341.05099	5.9
347.18207	0.9
359.13214	3.6
377.14572	4.2
491.11700	1.5
527.16901	5.1
528.21112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20987	0.6
55.01871	1.8
57.03448	13.8
59.01380	12.2
60.01699	0.7
61.98834	7.9
64.39053	0.7
69.03458	1.8
71.01383	6.2
71.04983	0.9
71.55840	1.3
72.99312	2.1
73.02947	5.3
75.00863	3.4
78.95924	1.0
83.01395	6.5
84.02151	2.4
85.02952	100.0
86.03292	1.6
87.00875	2.0
88.98823	0.8
89.02444	2.2
91.01888	0.9
94.98124	0.8
95.05026	0.7
96.96004	4.5
96.96949	0.9
101.02431	4.0
102.05576	0.7
107.01292	0.9
108.02178	2.6
109.02971	2.4
111.00889	13.3
111.01665	0.9
113.02467	2.6
116.92850	1.6
119.03493	0.8
119.05059	1.0
121.02950	2.0
123.04523	7.8
124.01604	1.1
125.02446	3.0
128.03519	1.2
129.01947	32.2
130.08714	0.8
133.02979	1.1
135.04538	2.1
137.02406	1.7
137.06071	1.1
139.04016	1.6
147.02980	5.7
149.02515	1.3
151.00381	2.0
152.01155	2.7
153.01970	5.5
153.05548	1.5
155.10687	1.3
161.02441	2.7
161.04578	0.8
163.04022	1.6
167.03487	22.2
173.00911	12.4
175.03949	0.8
179.03476	1.8
182.02194	1.0
183.10239	1.3
185.11810	18.1
191.01970	5.9
191.05679	0.8
192.04356	0.9
197.04497	2.9
199.09827	1.1
207.06732	1.0
209.04593	1.1
235.06123	3.3
253.14487	6.8
260.58228	0.7
274.16589	0.7
278.17545	1.4
279.05060	0.8
279.17709	0.8
297.06226	4.0
297.13416	1.4
300.02505	1.0
305.14020	0.9
315.14401	7.0
341.05099	5.9
347.18207	0.9
359.13214	3.6
377.14572	4.2
491.11700	1.5
527.16901	5.1
528.21112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.3
61.98832	28.9
71.01379	3.8
71.54035	1.0
78.95901	1.0
85.02956	5.3
86.75401	0.8
87.00879	1.8
89.02438	3.1
93.03465	1.6
96.96021	1.1
101.02447	2.4
108.02185	18.7
108.02915	1.4
111.00860	1.3
111.04473	0.9
113.02439	1.9
119.03480	1.5
121.02968	1.1
123.04540	15.7
123.08496	0.9
127.04041	1.5
135.04527	2.0
151.03972	1.0
152.01158	24.1
152.02399	1.5
153.01732	0.8
161.02480	1.1
166.02676	1.3
167.03499	100.0
168.03874	2.5
173.04561	3.0
179.03493	1.8
181.05045	2.3
189.36157	0.9
191.05608	56.9
192.05974	4.1
209.04561	8.4
233.04764	0.8
239.05415	0.8
249.04088	0.9
269.06717	1.4
279.05328	0.9
329.08777	66.5
330.09155	2.5
335.10327	1.8
349.38773	0.7
353.08621	10.7
354.09180	2.2
371.09872	2.5
491.14130	1.4
503.34998	1.0
521.59320	1.0
527.23267	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
59.01373	1.1
61.98819	1.2
62.23143	0.5
69.26282	0.4
69.47720	3.3
71.01376	1.2
74.79382	0.5
81.03456	1.6
81.04501	0.4
83.01380	1.2
93.03440	0.4
95.05046	0.6
96.96014	1.3
101.02382	0.6
116.92822	0.5
119.04985	0.8
120.38902	0.4
121.46085	0.4
123.04525	18.9
125.02419	4.1
137.02422	0.6
144.04633	0.6
149.02426	0.8
151.03986	0.7
163.04039	1.5
166.02734	0.7
167.03487	100.0
168.03862	2.4
175.00369	0.7
179.05652	0.4
181.05048	2.0
191.01735	0.9
191.03485	17.0
209.04529	6.3
221.04495	1.6
233.04462	0.6
329.08759	64.5
330.09177	2.7
375.63080	0.5
491.14056	1.0
527.11615	5.7
552.13751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	9.0
61.98831	6.5
71.01379	5.4
71.54680	1.8
75.02456	1.4
81.03452	3.8
83.01385	4.7
85.02947	4.0
86.16939	1.4
87.00868	2.0
88.98808	2.0
89.02436	5.9
93.03484	2.6
95.05051	6.2
96.95981	8.1
97.02929	2.1
97.16045	1.3
99.04513	1.6
100.56683	1.2
101.02437	4.2
109.02940	2.1
113.02464	2.9
119.03522	2.7
121.02963	2.6
123.04499	8.7
125.02448	13.3
130.02483	1.4
135.04584	1.7
137.02492	1.6
137.06093	9.5
138.86560	1.1
139.03987	2.7
153.01869	2.2
161.04550	2.0
163.03983	2.3
165.05537	2.6
167.03505	32.6
179.03485	5.0
179.05544	2.7
180.04245	1.9
181.05200	2.9
191.03526	7.2
191.05583	12.4
205.05081	5.2
209.04562	100.0
210.04878	3.9
233.04558	20.0
239.05594	3.4
251.05682	5.1
263.05420	1.9
311.07727	1.7
329.08881	2.1
335.10541	1.5
371.09824	77.3
372.10126	2.9
401.10999	1.5
465.10345	2.3
491.14081	44.5
492.14069	2.8
527.10693	4.0
527.23383	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	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
61.98829	100.0
69.33169	1.5
71.01377	0.6
71.72363	0.2
77.18019	0.2
85.02986	0.3
88.86119	0.2
89.02452	0.6
96.96006	0.4
98.19901	0.4
99.00946	0.2
101.02440	0.5
135.04558	0.5
138.64073	0.2
149.04610	0.4
149.36633	0.2
161.04503	0.2
191.05635	0.3
217.12357	0.2
218.12595	0.2
243.02852	0.2
271.02512	0.4
300.02811	0.9
301.03665	0.4
367.37350	0.2
463.09122	0.9
466.22379	0.3
474.55753	0.2
526.17279	0.6
527.18201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
59.01377	2.0
61.98830	100.0
69.33355	1.4
69.33769	1.9
71.01387	1.4
73.02945	0.7
75.00864	0.5
75.41975	0.4
78.91874	0.7
78.95929	0.4
83.01398	0.7
85.02950	10.6
86.03310	1.9
87.00851	0.4
96.96019	0.8
98.20655	0.8
101.02470	0.5
108.02206	0.6
109.02966	0.7
111.00896	1.1
113.02453	0.5
123.00922	0.6
123.04510	2.9
124.01684	0.5
125.02438	1.0
129.01952	4.8
130.02307	1.0
135.04527	0.8
137.02431	0.6
138.03256	0.7
139.04030	0.7
139.11313	0.5
149.02458	0.9
151.00432	0.5
152.01131	1.2
153.01976	0.5
153.05519	0.4
161.02478	0.6
166.99854	0.4
167.03488	4.2
168.03851	1.1
173.00961	1.3
173.56735	0.4
191.02000	0.7
191.05615	1.0
193.05075	0.5
197.04587	2.0
201.11365	0.6
202.11586	0.5
228.93240	0.5
243.12389	0.8
268.37903	0.4
271.02588	1.1
292.15549	0.7
300.02734	1.9
301.03641	1.1
313.13086	0.6
341.05331	0.5
376.13846	0.6
447.09445	1.6
463.08936	1.3
483.18939	0.4
526.20514	0.8
527.17786	1.0
554.57166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2836
Annotation	5-Ketomilbemycin A3
Peak:m/z	Relative Intensity
59.01389	25.0
61.03538	24.7
61.98825	100.0
64.26670	22.5
71.38857	32.2
78.95905	34.6
81.63778	24.4
116.16862	24.0
136.22717	20.8
143.65526	19.9
189.66377	22.6
253.21724	30.5
525.28442	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	526.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56023	1.1
57.03437	4.4
57.73683	1.1
61.98833	21.1
65.00301	1.3
69.35569	7.7
81.23649	1.1
81.56380	1.1
83.01410	2.3
85.02946	31.1
86.03288	4.3
90.14642	1.1
91.01904	1.5
109.02906	1.3
111.00868	4.7
112.01217	2.0
123.04550	2.1
129.01930	12.0
130.02283	4.2
147.03020	2.2
151.00377	8.7
152.01170	1.4
159.26436	1.1
163.00323	2.2
167.03477	4.8
168.03877	2.4
173.00914	4.1
178.99863	4.8
183.10240	1.6
191.01904	1.7
194.71545	1.1
199.03963	1.0
211.04024	1.2
226.02817	1.9
227.03563	1.6
243.02963	5.7
254.02147	1.4
255.02959	18.4
271.02457	41.7
272.02979	2.4
283.02271	1.3
297.06213	1.2
300.02734	82.1
301.03476	34.2
302.03809	1.4
314.13123	1.9
376.13354	1.6
463.08820	100.0
464.09116	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	526.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95190	0.4
61.98829	11.0
62.32258	0.5
63.02361	0.5
65.00301	0.7
94.98056	0.5
107.01351	1.5
108.02148	0.6
121.02933	1.0
130.73318	0.5
139.03860	0.5
148.01680	0.8
151.00360	7.9
163.00354	1.4
178.99866	4.1
226.02600	1.2
227.03432	1.9
229.45395	0.6
239.03429	0.5
243.02945	6.3
245.04466	0.8
254.02161	1.3
255.02983	16.9
271.02460	39.1
272.02939	2.5
283.02386	1.0
299.02023	0.8
300.02728	80.5
301.03479	29.8
301.08615	0.7
302.03876	1.3
355.39731	0.5
397.98856	0.5
463.08795	100.0
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	526.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45437	1.6
57.03431	3.1
59.01381	28.2
61.98818	6.5
71.01380	26.4
71.54174	1.7
71.54585	2.3
72.99306	15.5
73.02924	4.6
75.00871	52.3
82.77988	1.7
83.01365	3.3
85.02944	12.4
87.00874	7.4
89.02451	19.5
93.03432	1.8
95.01385	4.0
96.96000	2.8
99.00878	1.9
101.02442	16.3
111.00820	2.1
113.02448	10.2
115.00340	3.7
116.04227	3.8
116.05057	69.0
117.01904	2.5
119.03481	7.8
122.62535	1.5
128.05032	15.2
130.06624	12.4
135.02998	46.5
140.05009	2.3
144.04517	1.8
154.06616	4.3
156.04565	2.7
156.08141	6.4
157.05304	4.9
158.06104	91.4
159.06447	2.2
161.04561	16.7
164.33539	1.8
166.06642	3.6
172.03992	2.2
175.02451	5.1
179.05527	1.9
184.07645	10.2
210.05592	100.0
211.05875	3.1
221.06650	2.6
226.05074	7.1
246.07744	3.0
291.51459	1.8
312.34723	2.0
320.11252	7.6
364.13895	10.6
390.12030	8.3
406.11035	3.8
408.12976	92.0
409.13217	7.0
447.59961	1.7
526.13269	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	525.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82043	0.4
52.24804	0.4
58.76250	0.3
59.01400	0.5
61.98831	100.0
67.74875	0.4
68.99577	1.2
69.57014	2.5
78.95910	3.0
89.64687	0.4
96.97034	0.5
112.98589	1.1
125.76060	0.4
131.77541	0.4
222.95296	0.4
306.17200	0.4
343.15948	0.4
434.24545	0.4
456.05603	0.5
525.33380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63403	0.1
57.03461	0.2
59.01379	0.5
61.98831	100.0
62.98520	0.1
65.87490	0.1
69.18821	0.1
69.36336	0.2
69.36745	0.6
71.01402	0.3
73.02942	0.1
83.01408	0.1
84.02197	0.1
85.02948	1.7
87.00919	0.2
89.02441	0.2
95.01395	0.1
96.46552	0.1
96.96015	0.7
101.02461	0.3
108.02177	0.2
111.00886	0.3
111.16430	0.1
113.02491	0.1
123.04491	0.2
125.02471	0.2
129.01988	0.5
137.02509	0.2
139.11290	0.4
150.03250	0.1
151.03979	0.1
151.35976	0.1
152.01147	0.3
161.02486	0.1
162.03268	0.1
163.04044	0.1
167.03496	0.9
173.00958	0.2
177.01952	0.2
179.05765	0.1
183.10345	0.2
185.11934	0.2
191.01912	0.1
201.11310	1.1
209.04568	0.2
251.12944	0.1
333.74356	0.1
363.10977	0.3
436.95081	0.1
465.27991	0.2
499.87976	0.1
507.15619	0.1
525.13348	0.4
525.20416	0.2
525.27759	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	525.2701
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
55.01880	3.6
57.03448	4.8
59.01378	83.6
59.04199	1.4
61.98830	19.3
67.01899	1.9
71.01380	18.3
71.55518	2.3
72.99311	2.2
73.02955	8.6
81.85220	1.1
83.01387	6.4
85.02949	25.5
87.00887	2.9
87.04539	1.4
89.02458	2.9
93.03461	2.9
94.09699	1.3
95.01349	2.0
96.96010	25.8
97.02990	1.4
99.00897	2.6
101.02424	10.8
103.00390	1.4
108.02182	5.6
109.02930	1.5
111.00894	5.4
112.01682	1.7
113.02418	6.1
114.89802	1.3
120.05783	2.7
121.02972	5.8
121.06584	2.1
122.03796	1.3
123.04562	2.7
124.01704	3.0
125.02470	4.7
129.01945	5.1
130.04309	1.9
133.02972	1.5
134.03792	1.7
135.04536	4.4
137.02461	4.7
139.04042	2.8
141.31592	1.6
144.05841	3.1
145.02985	3.8
145.06651	3.2
146.07399	5.8
151.04041	2.7
152.04848	2.9
155.10809	2.0
161.02455	1.6
167.03543	3.1
176.04796	2.0
178.02742	2.1
178.06342	2.6
179.03487	2.1
183.10220	2.1
191.01964	1.3
191.05655	1.4
193.05147	2.0
195.06621	11.2
215.14491	2.6
231.17508	6.2
243.17421	3.5
255.17738	4.1
259.17126	2.7
261.18579	40.0
261.21249	2.2
262.18976	2.9
273.18433	6.6
277.14505	4.0
285.18610	65.0
286.19116	2.1
287.20242	2.7
297.06137	2.0
300.02814	2.0
303.19632	100.0
304.19894	6.9
321.17068	2.9
321.20703	26.3
322.12894	1.8
322.21207	2.1
379.19907	2.7
405.22717	3.0
423.24106	4.2
439.16388	28.4
439.22717	1.9
440.16626	1.5
447.24335	5.6
463.09103	3.1
465.24924	60.8
466.25366	6.5
481.17038	12.0
483.25955	68.4
484.26712	5.9
525.16833	8.2
525.27319	79.9
526.27789	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	525.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	50.6
61.98841	14.0
68.99793	5.0
71.53153	4.7
78.95908	3.1
85.18389	2.9
109.02953	20.0
113.07934	3.2
117.03456	16.6
121.02970	12.4
123.04515	8.8
129.02025	2.9
133.02951	17.2
135.04552	3.5
137.02448	48.4
147.04482	4.6
151.03973	7.7
152.03748	3.1
159.04565	4.8
161.02457	17.3
161.06155	6.6
161.29301	3.1
163.04037	10.7
175.03975	10.8
179.03510	34.5
187.04002	6.1
264.72690	3.1
297.07574	5.4
327.08743	59.2
328.09451	20.1
375.43057	3.1
396.15771	100.0
397.16357	28.1
399.19009	3.4
465.22372	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	525.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98989	2.8
57.33706	2.4
59.01370	8.0
61.98833	100.0
68.00717	2.2
68.99571	88.8
70.65737	4.3
78.95912	15.4
103.66066	2.3
106.24200	2.2
112.98571	94.0
134.51830	2.4
305.87650	2.2
410.29684	3.1
455.05469	6.2
456.05542	18.7
525.12897	8.4
525.34802	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	525.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03876	1.5
59.01379	4.3
61.98831	20.6
62.26241	1.2
64.99757	1.3
68.99576	92.3
71.09576	3.0
78.95910	3.3
81.22793	1.4
90.34969	1.2
112.98569	100.0
176.18530	1.7
182.68268	1.5
206.97505	1.4
245.46788	1.8
297.75381	1.4
300.02863	1.6
301.03094	1.4
310.48062	1.5
317.05670	1.7
348.84384	1.5
397.56516	1.6
456.05780	4.9
525.13116	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38000	2.6
57.03465	3.8
59.01381	83.4
59.40629	2.9
60.94264	2.6
61.98832	84.1
69.03427	3.5
71.01384	21.3
71.18350	4.1
73.02946	6.8
75.00865	3.3
76.46471	2.9
83.01398	8.4
85.02950	30.3
86.00099	7.7
87.00876	7.3
89.02441	6.9
91.07623	2.9
93.03493	4.1
94.74437	3.0
95.01388	7.2
96.96027	4.9
101.02441	8.9
108.02124	3.1
111.00893	8.2
113.02459	13.6
119.03502	3.7
120.05769	7.1
121.02933	3.4
121.06585	3.1
123.00877	6.9
123.04547	5.4
125.02435	5.4
129.01949	5.8
135.04485	4.8
137.02385	4.7
141.01949	23.0
152.04787	5.1
153.09203	4.2
164.86217	2.7
167.03455	5.1
179.03468	3.8
183.10252	4.8
189.99980	2.8
193.05045	6.9
207.02982	3.0
229.15970	5.6
231.17538	6.5
233.08090	3.1
259.17087	7.4
261.18600	100.0
262.18890	4.9
271.02307	3.2
288.52463	3.3
290.71384	3.0
300.02707	4.3
303.19559	3.5
319.19034	4.5
331.18961	3.9
341.81302	2.9
390.00385	3.4
403.06049	5.4
403.21228	11.9
421.22263	16.9
463.08618	5.7
463.23276	46.4
464.23758	3.2
493.11218	3.9
525.25226	4.5
532.60089	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	525.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
57.03450	10.8
59.01366	3.3
61.98831	3.3
69.03452	1.2
69.36346	0.6
69.78074	0.7
70.97059	1.6
71.01390	1.5
72.79916	0.7
73.02940	0.8
75.00884	0.8
75.77737	0.6
83.01402	3.3
84.02168	2.5
85.02952	100.0
86.03301	0.8
87.00877	2.6
89.02474	0.7
91.01900	0.8
95.01351	0.7
108.02193	1.8
109.02985	0.6
111.00892	10.2
123.00898	3.8
123.04531	4.7
129.01944	23.6
132.77759	0.6
138.03212	2.4
139.11319	1.1
139.57578	0.6
143.06276	0.6
147.02995	8.9
152.01151	2.0
153.01987	1.1
153.05594	0.8
166.99890	2.4
167.03482	12.2
173.00909	10.2
174.63011	0.6
182.02202	6.4
183.10268	8.5
191.02005	4.4
192.04315	1.4
197.04539	15.9
205.63057	0.7
207.06641	1.3
214.19308	0.6
214.21745	0.7
235.06134	5.9
251.12976	3.2
259.19937	0.8
297.06134	3.6
299.02084	1.9
300.02301	5.0
301.03418	0.9
313.12921	5.5
341.05188	5.0
357.11960	7.8
375.12988	9.1
389.60120	0.9
462.07370	3.4
463.08841	1.1
525.16718	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	525.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.1
57.03451	15.0
58.78950	0.8
59.01379	1.3
61.98826	1.1
69.03471	1.4
69.47178	2.6
69.47585	3.1
71.01392	2.1
73.02944	1.1
73.70596	0.8
75.00898	1.4
83.01381	5.7
84.02163	2.0
85.02950	100.0
86.03287	1.5
91.01903	2.6
101.02438	1.5
108.02176	2.0
111.00880	12.9
123.00918	1.1
123.04530	10.5
129.01949	39.6
139.11305	2.1
147.03009	7.1
150.42314	0.9
152.01181	2.1
153.05585	1.1
167.03490	25.3
173.00899	14.3
183.10239	6.0
191.01942	3.3
235.06020	4.1
251.12814	4.3
297.06192	4.1
300.02588	1.0
313.12823	5.9
341.05167	7.3
357.11981	5.5
375.12817	6.4
463.08472	1.1
502.78293	1.0
525.16437	1.0
529.19385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
55.20384	0.8
57.03451	12.8
59.01371	1.3
61.98828	1.0
68.99796	0.9
69.03454	1.0
71.01389	2.6
71.09342	0.9
71.09676	1.0
71.25853	0.6
73.02946	0.8
74.05938	0.6
74.62238	0.6
75.00889	1.7
83.01398	4.6
84.02171	1.6
85.02956	100.0
86.03294	1.5
87.00888	1.4
89.18108	0.6
91.01902	1.6
103.00393	1.1
108.02206	1.7
111.00881	12.6
123.04546	5.4
123.05341	1.0
129.01955	21.0
139.11287	1.1
142.67223	0.8
147.03008	9.7
152.01160	2.0
167.03511	14.8
173.00932	10.1
181.05267	0.8
183.10242	6.0
191.01981	4.1
192.04417	1.0
207.06740	1.2
235.06152	4.7
240.88770	0.7
251.12891	3.6
297.06232	3.4
313.13010	3.9
341.05072	4.1
357.12021	3.2
375.13062	6.2
478.55655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
57.03449	16.6
59.01369	1.9
67.01881	0.7
69.03432	1.1
69.78993	3.5
71.01381	2.4
72.99329	1.2
73.02957	0.8
75.00880	1.7
75.52296	0.7
83.01388	5.4
84.02165	2.0
84.06985	0.8
84.22201	0.6
85.02954	100.0
86.03298	1.6
87.00869	0.9
91.01897	2.4
101.02418	1.6
108.02178	2.8
109.02930	0.8
111.00886	11.2
123.00851	1.1
123.04530	10.8
123.31892	0.7
126.38978	0.8
129.01947	53.4
130.02315	0.8
135.04514	0.7
135.08250	0.7
139.01302	0.8
139.11311	1.6
142.24695	0.7
145.01482	0.9
147.02997	7.3
152.01141	3.9
153.01921	1.6
167.03496	24.7
173.00920	15.4
182.02174	1.8
183.10258	7.3
183.44633	0.8
187.51607	0.7
191.01985	4.6
197.04543	2.9
201.11478	1.5
235.06001	3.6
251.12897	5.1
279.05191	0.8
297.06198	4.0
313.12936	5.9
341.05283	6.8
357.11942	4.9
358.12335	1.0
375.13086	6.0
499.60727	1.0
525.16406	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	524.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	28.6
61.85440	0.4
61.98831	100.0
64.67816	0.4
71.01385	1.7
73.02937	0.8
83.31363	0.4
85.02956	1.4
86.18566	0.4
88.98816	0.8
101.02462	1.5
113.02513	0.4
132.05998	0.4
161.04630	0.5
176.58301	0.4
176.70505	0.5
276.18695	0.4
375.23972	1.6
417.24820	2.1
524.35474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.2
58.00573	1.6
59.01379	8.6
60.79359	1.0
61.98829	4.8
67.01897	1.6
71.01377	10.2
73.02956	2.1
81.03471	1.1
83.01389	3.0
85.02952	4.7
87.00872	5.1
88.98812	1.0
89.02426	2.0
91.01903	3.8
93.87838	0.9
95.01406	2.6
96.96036	1.7
98.20675	2.4
99.00846	1.9
101.02441	7.4
107.01400	2.8
108.02186	8.7
109.02981	2.8
111.00866	2.6
113.02451	3.8
115.00385	1.4
117.19545	1.1
121.02962	3.4
122.03748	2.9
123.00879	5.4
123.04531	22.6
124.01646	1.6
125.02460	1.2
135.04530	1.5
137.02448	2.2
138.82037	1.0
139.00407	1.2
145.02957	3.4
149.02435	25.1
150.03224	60.4
151.00360	7.7
151.03940	6.4
152.01146	15.5
153.01923	5.0
153.08253	1.0
161.02415	4.5
162.03253	5.2
163.04001	3.0
164.04787	12.3
165.05560	38.5
166.02708	3.8
166.05913	1.1
167.03493	75.5
168.03864	2.1
173.04613	1.2
175.02487	3.0
177.05605	2.7
179.03444	2.0
180.04291	4.1
181.05064	1.9
191.05717	1.9
195.02974	1.8
195.06606	21.7
209.04509	5.2
239.05582	2.1
269.06491	1.1
295.08319	1.2
296.05301	7.5
297.06116	1.5
302.62119	1.2
311.07706	100.0
312.08173	5.0
350.09338	1.2
465.27176	2.8
477.13989	99.3
478.14249	8.5
489.14029	1.5
507.15152	4.4
508.17484	1.4
525.16235	13.3
525.28674	7.4
526.16266	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	524.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05891	0.5
52.99110	0.5
57.03454	1.0
59.01378	8.0
59.73412	0.6
61.98829	100.0
71.01376	5.3
71.55257	1.3
72.99314	0.6
73.02947	2.1
83.01406	0.6
84.28959	0.5
85.02937	3.2
87.00881	1.1
88.98809	0.5
89.02438	2.9
93.03461	0.8
96.96021	1.5
101.02431	3.2
108.23183	0.5
113.02453	2.2
119.03503	1.2
119.05043	1.3
134.04468	0.6
134.28151	0.5
137.02431	0.9
143.07130	0.6
149.04488	0.8
161.04555	1.2
163.04070	1.5
173.16293	0.7
179.05621	0.6
191.05634	1.4
204.93539	0.5
222.25798	0.6
242.02147	0.8
243.02950	3.7
257.04538	1.2
264.40115	0.5
270.01703	0.6
271.02502	4.5
285.04144	2.9
286.04861	1.1
299.02011	1.5
300.02847	1.0
314.04276	9.4
315.05090	3.8
361.29349	2.8
362.29956	0.8
444.62585	0.6
461.10867	18.6
462.11124	0.9
476.09952	0.6
513.58429	0.8
523.34924	9.3
524.35156	5.4
525.19574	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27449	0.4
57.03433	1.3
59.01383	7.6
59.59039	0.4
60.03076	0.4
60.84295	0.4
61.98832	30.0
69.17282	3.3
69.17700	1.0
71.01392	2.0
72.36761	0.4
73.02934	1.2
75.94170	0.4
83.01378	0.9
84.83653	0.4
85.02951	11.5
88.98797	0.8
89.02451	0.5
96.95993	0.8
98.19882	1.1
100.19678	0.3
101.02469	1.3
106.07466	0.4
110.92028	0.5
111.00886	1.2
111.22216	0.4
113.02422	0.5
127.52706	0.4
129.01935	2.5
132.21817	0.4
134.03786	0.5
135.04533	0.8
137.02437	1.0
137.06070	1.2
145.02907	0.7
147.02945	0.9
153.01839	0.8
161.04611	0.4
163.00349	0.4
167.03514	1.8
167.04942	0.5
173.00876	1.5
179.03464	0.7
179.07095	0.5
182.02232	1.2
183.04509	0.8
183.10258	1.1
187.03995	8.5
191.01984	0.7
197.04564	2.5
201.02014	0.5
211.00304	1.8
211.03967	5.6
227.03513	1.7
231.02979	2.2
243.03134	0.5
255.02989	11.5
257.00781	0.7
270.01706	0.7
283.02530	0.5
298.01105	1.4
299.01959	100.0
300.02310	4.3
311.01999	0.4
313.03445	0.6
341.02985	3.0
357.11725	0.8
375.12787	0.6
388.85931	0.5
417.25305	0.4
428.23160	0.4
439.56302	0.4
461.07251	64.8
462.07584	3.8
523.34991	0.9
525.20251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.2
59.01373	1.1
59.62854	0.2
61.98830	100.0
69.32945	0.3
69.33354	1.0
70.09950	0.2
71.01374	0.8
73.02938	0.2
83.01383	0.3
85.02950	1.9
88.98798	0.5
89.02451	0.4
96.96024	0.5
101.02428	0.4
109.02961	0.2
111.00893	0.3
113.02442	0.3
123.04527	0.3
125.02460	0.2
129.01953	0.6
135.04543	0.2
137.02519	0.2
145.67516	0.2
153.01981	0.3
163.11278	0.2
163.80745	0.2
165.05547	0.2
167.03545	0.6
173.00949	0.2
193.05058	0.3
209.04544	0.3
211.06142	0.2
253.09235	0.2
313.10477	0.2
331.17346	0.2
361.15906	0.3
437.11349	0.6
463.21875	0.5
479.12411	0.3
501.74121	0.2
523.11469	0.3
523.20563	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	523.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
59.01383	3.4
59.69860	0.3
61.98831	100.0
64.57771	0.3
70.70728	0.2
71.01382	2.2
73.02945	0.8
73.29263	0.2
75.00881	0.4
83.01393	0.4
85.02964	3.2
87.00887	0.6
87.92551	0.3
88.98819	1.1
89.02444	1.9
93.03460	0.3
96.96028	1.8
99.00921	0.5
101.02431	1.6
109.02969	0.4
111.00920	0.5
113.02454	0.7
119.03532	0.3
120.01231	0.3
120.70399	0.2
125.02444	0.5
129.01936	0.6
131.03519	0.8
135.04529	0.6
137.02486	0.3
137.09760	0.3
149.04561	0.6
151.04066	0.2
155.10834	0.8
161.04465	0.3
167.03514	0.8
169.60069	0.3
175.02580	0.5
179.05556	0.3
183.10332	0.9
191.01971	0.5
199.09848	0.8
223.39229	0.3
257.04581	0.4
297.11761	0.5
323.44922	0.3
345.15698	0.3
463.21756	3.1
491.16776	0.3
523.20361	1.8
523.27527	0.5
531.97668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.5
57.54800	0.2
58.22671	0.2
59.01371	1.8
61.98831	100.0
63.99250	0.4
69.21722	1.2
69.22128	0.7
71.01388	1.4
73.02930	0.3
77.34790	0.2
79.07666	0.2
83.01396	0.6
85.02950	1.3
88.98803	0.5
89.02455	0.6
94.52237	0.2
95.01395	0.3
95.59918	0.2
96.96014	0.4
100.79507	0.2
101.02461	0.8
108.02174	1.8
108.27386	0.2
109.02972	0.5
111.00907	0.4
113.02467	0.5
119.05020	0.2
123.04538	1.4
125.02470	0.4
129.01953	0.5
135.04565	0.4
136.01694	0.5
137.02461	0.4
151.04019	1.2
152.01138	0.5
155.10791	0.3
161.04608	0.3
167.03589	0.5
179.03490	0.3
179.05672	0.2
183.10223	0.4
195.02928	0.3
200.06876	0.2
236.77873	0.2
361.15561	0.4
403.15552	0.2
437.11166	0.4
453.22647	0.2
462.26877	0.3
463.21893	0.9
463.27655	0.9
468.03619	0.2
479.12143	0.2
523.11890	0.3
523.20435	2.0
525.83423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.2
59.01373	1.1
59.62854	0.2
61.98830	100.0
69.32945	0.3
69.33354	1.0
70.09950	0.2
71.01374	0.8
73.02938	0.2
83.01383	0.3
85.02950	1.9
88.98798	0.5
89.02451	0.4
96.96024	0.5
101.02428	0.4
109.02961	0.2
111.00893	0.3
113.02442	0.3
123.04527	0.3
125.02460	0.2
129.01953	0.6
135.04543	0.2
137.02519	0.2
145.67516	0.2
153.01981	0.3
163.11278	0.2
163.80745	0.2
165.05547	0.2
167.03545	0.6
173.00949	0.2
193.05058	0.3
209.04544	0.3
211.06142	0.2
253.09235	0.2
313.10477	0.2
331.17346	0.2
361.15906	0.3
437.11349	0.6
463.21875	0.5
479.12411	0.3
501.74121	0.2
523.11469	0.3
523.20563	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	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.7
57.03441	3.0
58.82377	0.9
59.01385	16.0
60.99311	1.8
61.98834	24.6
69.03446	1.4
70.94732	2.2
71.01385	33.0
72.99284	1.1
73.02952	15.4
81.03462	3.2
83.01389	5.8
83.25790	0.8
85.02951	23.2
87.00890	2.7
88.98805	18.2
89.02448	7.8
95.01383	1.9
95.05050	2.1
97.02962	3.2
98.20601	1.1
99.00886	6.7
99.04521	1.2
101.02447	22.2
108.02195	2.6
109.02947	2.6
111.00878	1.5
111.04487	0.9
113.02449	13.9
118.46599	0.9
119.03540	0.9
120.51162	0.9
121.02905	1.0
123.04540	4.7
125.02474	8.3
129.01970	2.6
131.03517	1.1
134.03746	2.8
135.04550	3.1
137.02428	1.6
137.06075	5.3
139.04028	2.3
143.03487	2.6
148.05264	1.5
149.02411	1.0
149.04617	1.1
149.06079	2.2
151.04042	1.2
151.63309	1.1
152.01160	1.2
152.04834	1.0
153.01865	1.1
153.05629	1.2
159.02975	3.2
161.04561	13.7
165.01926	2.1
165.05513	1.3
167.03496	16.2
173.00905	1.3
173.06076	1.9
179.03526	6.0
180.04300	1.3
181.05055	2.7
185.11847	5.7
191.01967	0.9
191.07114	1.3
193.05034	2.2
195.03026	1.1
195.06691	1.3
197.04547	2.8
199.13431	2.0
209.03009	0.8
209.04596	13.2
218.05692	1.0
221.04449	1.4
227.12852	1.4
231.10295	1.3
233.08398	1.1
235.06238	1.4
239.05490	4.9
242.05652	1.0
275.09262	1.6
301.03308	1.7
311.07870	1.4
326.68198	1.1
331.17661	9.1
341.08633	3.2
361.09360	1.7
403.10352	35.6
404.10651	2.1
433.11658	13.3
434.12088	1.4
463.21863	100.0
464.22171	5.9
487.18506	1.7
505.13547	2.7
505.22833	2.4
523.14368	4.0
523.24493	10.4
524.24274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
57.03447	10.6
58.00599	1.8
59.01382	23.4
60.99253	1.4
61.00302	1.1
61.98829	36.3
68.20097	1.0
68.90309	1.1
69.65251	6.3
71.01006	2.2
71.01385	32.1
71.05055	1.9
72.99300	1.4
73.02948	11.5
75.00870	1.3
81.03439	1.3
83.01379	5.3
85.02951	22.6
87.00864	2.5
88.98804	4.7
89.02446	16.7
93.03473	1.7
95.01399	2.3
96.95984	3.0
97.02975	3.1
99.00876	4.7
99.52779	1.0
101.02438	25.6
106.04714	1.2
109.02927	3.1
111.00895	2.6
112.29620	1.0
113.02448	16.4
119.03509	5.3
123.04499	1.8
125.02448	4.3
125.06124	3.2
129.01904	2.6
131.03479	1.7
135.06636	7.6
137.09686	1.4
138.03185	1.2
139.07660	4.1
143.03476	2.8
151.03944	1.2
155.10765	4.1
159.03036	1.7
161.04547	16.2
167.03500	1.8
167.07162	2.5
177.01855	1.7
177.09361	1.2
179.05612	2.3
183.10254	51.0
184.10594	1.7
191.02010	1.3
197.11858	2.5
199.09760	4.7
225.11331	2.9
231.06599	2.4
261.04034	4.1
275.05417	1.4
279.10846	9.5
297.11899	31.3
331.17618	9.1
345.15463	1.5
369.77808	1.0
381.08273	6.3
463.21838	100.0
464.22461	8.1
479.12238	2.3
523.19080	6.1
523.27643	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	523.2334
Annotation	Vielanin C
Peak:m/z	Relative Intensity
61.98821	3.8
69.36288	3.3
69.36700	8.1
70.90475	1.5
71.01378	3.6
78.95903	1.5
96.89368	1.5
98.20616	3.1
108.02162	2.3
109.02932	3.8
117.03465	1.8
120.17234	1.3
121.02931	2.2
123.00862	1.9
123.04539	2.5
132.02142	2.8
133.02933	4.6
134.03697	2.5
136.01671	19.0
137.02412	4.4
145.02966	2.1
146.03719	3.1
147.04524	8.0
149.02440	2.2
149.06065	1.7
151.03987	22.2
158.03656	1.9
159.04504	20.9
160.01683	3.9
161.02437	21.8
161.06036	2.9
162.03194	11.7
162.06859	5.7
163.04004	7.4
163.07646	2.7
171.04495	2.0
173.02426	7.2
173.06068	6.2
174.03195	25.2
174.06804	2.2
175.04005	36.5
175.07582	3.4
176.04729	6.3
177.05588	16.1
177.09178	2.1
179.06992	2.0
182.75363	1.4
187.04012	13.1
187.07751	2.8
188.04839	3.4
188.08244	1.5
189.01831	2.8
189.05539	6.5
190.02734	5.4
191.03426	4.8
191.07198	2.4
193.05049	3.0
197.06108	2.3
199.03967	3.1
200.04901	2.2
201.05548	7.1
202.02730	4.3
202.06285	2.3
203.03484	22.5
203.07140	18.0
205.05055	3.6
205.08624	1.6
213.05579	3.3
213.09204	2.1
214.06235	1.6
215.03461	6.5
215.07060	7.0
216.07916	6.3
217.04967	6.9
217.08514	3.0
219.06630	4.1
229.05066	2.0
229.08652	2.7
231.06595	11.4
232.07385	2.9
233.04524	4.1
233.08202	4.5
234.08905	2.3
243.06670	1.9
245.08205	3.5
249.07700	1.9
257.08102	2.0
259.09854	2.0
273.07507	2.2
275.09372	2.1
285.91373	1.4
330.27823	1.5
345.22733	4.6
372.12173	1.5
382.10620	10.1
383.11258	6.9
395.11252	3.2
396.12149	8.8
397.12741	7.8
408.15689	5.9
424.15372	2.0
425.16553	2.8
436.15088	2.5
439.14072	1.7
441.19247	3.3
453.15472	7.6
454.16318	80.1
455.16714	7.2
465.18924	2.7
523.23419	100.0
523.32526	11.1
524.23260	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	523.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42936	3.2
59.01384	100.0
61.98833	30.0
64.71921	3.1
71.01386	56.6
73.02950	61.6
73.87054	3.7
74.07215	3.0
83.01390	22.8
85.02960	21.2
87.00898	5.7
89.02457	16.5
95.01376	4.1
98.20780	6.3
101.02454	55.5
108.02177	9.6
109.02956	10.4
111.00873	4.9
113.02477	16.2
119.03492	6.4
119.05016	11.1
121.02948	4.4
123.04571	9.9
125.02480	5.4
129.01924	4.2
131.03528	7.7
134.03735	9.4
135.04488	5.2
143.03499	6.6
149.04538	16.2
149.05891	3.4
150.06845	3.6
152.01169	10.1
153.01924	5.8
155.10782	11.6
161.04526	15.6
167.03514	22.8
173.04639	4.9
179.03467	11.8
179.10757	14.0
193.05112	10.2
221.06631	4.7
286.04291	3.3
301.18100	4.1
317.17435	3.6
319.18170	4.2
361.29654	7.7
495.46198	4.5
505.24457	4.6
523.18683	15.9
523.25769	4.6
523.34192	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42936	3.2
59.01384	100.0
61.98833	30.0
64.71921	3.1
71.01386	56.6
73.02950	61.6
73.87054	3.7
74.07215	3.0
83.01390	22.8
85.02960	21.2
87.00898	5.7
89.02457	16.5
95.01376	4.1
98.20780	6.3
101.02454	55.5
108.02177	9.6
109.02956	10.4
111.00873	4.9
113.02477	16.2
119.03492	6.4
119.05016	11.1
121.02948	4.4
123.04571	9.9
125.02480	5.4
129.01924	4.2
131.03528	7.7
134.03735	9.4
135.04488	5.2
143.03499	6.6
149.04538	16.2
149.05891	3.4
150.06845	3.6
152.01169	10.1
153.01924	5.8
155.10782	11.6
161.04526	15.6
167.03514	22.8
173.04639	4.9
179.03467	11.8
179.10757	14.0
193.05112	10.2
221.06631	4.7
286.04291	3.3
301.18100	4.1
317.17435	3.6
319.18170	4.2
361.29654	7.7
495.46198	4.5
505.24457	4.6
523.18683	15.9
523.25769	4.6
523.34192	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.2
59.55499	0.6
61.98824	3.2
68.35657	0.6
71.01385	1.7
71.53889	0.5
72.99297	0.6
73.02961	0.5
75.00856	0.6
76.88527	0.5
78.77009	0.5
85.02923	0.6
88.98807	2.3
89.02447	1.2
101.02441	0.7
107.20370	0.5
112.04044	0.9
115.00347	0.6
117.03476	1.4
119.05024	60.7
120.05344	2.1
122.21081	0.5
125.02466	0.5
137.02385	0.8
144.04599	1.0
145.02972	5.2
160.04030	0.6
161.04539	0.7
163.04010	100.0
164.04340	2.9
167.03439	0.7
179.07100	0.6
187.04044	0.7
191.05565	1.7
208.87671	0.7
218.82367	0.5
325.09271	47.6
326.09534	2.6
361.07242	0.6
523.11981	8.2
524.12933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35966	0.3
59.01378	3.9
69.94958	1.7
71.01379	2.5
73.02943	1.1
77.90871	0.3
83.01402	0.3
85.02946	2.2
98.19967	0.5
99.00868	0.5
101.02450	2.3
105.73469	0.3
113.02451	1.3
124.00738	0.9
124.01664	22.9
139.04012	100.0
140.04361	2.2
150.91454	0.4
157.34354	0.4
159.02962	0.5
161.04552	6.6
163.03993	0.8
181.05054	0.5
218.35823	0.4
229.69254	0.4
248.13452	0.3
301.09265	28.3
302.09607	1.2
463.14462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45303	0.4
55.01889	0.5
57.03462	0.8
59.01382	34.2
61.98831	100.0
65.85863	0.3
68.99552	0.7
71.01379	6.2
71.54688	0.4
71.55044	0.4
73.02951	2.0
74.15548	0.4
83.01392	0.7
85.02962	3.6
87.00870	0.6
88.98828	1.3
89.02437	3.1
93.03470	1.2
99.00920	1.3
101.02453	4.7
112.98589	0.7
113.02440	2.9
116.40340	0.4
119.03534	0.9
119.04998	0.7
121.02993	0.8
125.02417	0.6
137.02458	0.5
143.03497	0.5
149.04536	0.9
161.04604	1.7
173.04539	0.8
191.05634	2.2
213.68042	0.4
248.88759	0.4
291.76114	0.4
301.28046	0.5
359.27994	0.5
361.29657	1.1
373.22400	2.0
415.23450	3.7
463.21765	1.9
521.33667	1.1
522.34021	1.4
523.34979	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	522.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34986	0.8
57.03456	1.2
59.01379	69.1
60.01712	1.0
61.98829	100.0
71.01385	9.8
72.99303	1.7
73.02937	3.0
83.01379	1.5
85.02957	5.5
87.00867	2.1
87.42509	0.9
88.98790	1.1
89.02437	3.9
100.52950	0.8
101.02449	7.2
101.93349	0.9
113.02475	4.4
119.03539	1.4
119.05009	2.1
121.02963	15.1
123.04527	4.8
137.09698	1.7
155.45924	0.9
161.04517	1.5
163.07605	1.3
191.05612	1.8
346.17209	1.2
359.27960	1.1
373.22208	2.7
410.84650	1.0
415.23297	6.3
505.20450	1.2
521.32800	2.3
522.33514	3.0
523.21881	20.8
523.34418	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	522.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88650	0.3
59.01379	18.9
61.98829	100.0
63.99257	1.3
69.31892	3.3
71.01389	3.1
73.02939	3.2
75.61712	0.4
83.01428	0.6
85.02966	1.6
89.02439	2.7
93.03493	0.4
99.00879	0.7
101.02436	3.7
113.02467	1.6
119.03540	0.5
119.04963	0.4
131.03485	0.8
143.03506	0.5
149.04556	2.3
153.01936	0.8
161.04597	0.6
161.09583	0.4
181.01396	3.3
191.05663	1.5
196.03749	2.9
211.06096	5.8
221.06726	0.6
415.23663	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26303	0.3
57.03440	0.6
58.00607	0.3
59.01380	6.3
61.98830	1.2
71.01378	2.8
71.54980	0.3
72.99315	0.5
73.02945	3.7
83.01399	0.9
85.02950	2.1
87.04539	0.5
89.02473	0.6
93.03468	0.8
97.02918	0.4
97.06609	0.5
101.02455	1.0
102.56753	0.3
110.00105	0.4
113.02464	0.9
119.05043	0.4
121.02991	0.3
123.04489	0.4
123.08160	0.8
125.02437	0.8
125.09709	1.4
129.01932	0.6
130.04253	1.8
132.05814	7.4
133.06641	2.2
134.03746	1.4
135.08177	0.9
137.02448	1.4
137.08652	0.4
137.09714	6.4
137.10706	0.6
143.05048	0.5
144.05766	1.1
145.06587	4.1
146.07373	23.7
147.08167	17.0
147.09383	0.5
148.05309	0.3
148.08438	0.5
149.05969	0.4
156.05830	0.6
157.06529	0.6
158.07346	0.3
159.04500	1.0
159.08148	4.8
164.04794	4.5
172.05331	1.1
175.04010	0.4
176.04836	0.5
178.06352	18.4
179.03461	0.4
183.10320	0.7
185.09753	0.9
186.10426	0.8
187.11255	1.0
188.29736	0.3
193.05042	1.5
197.06438	0.4
199.11276	0.9
213.12825	1.1
225.12856	0.5
227.14528	0.6
239.14619	0.3
243.17516	20.7
244.17900	1.0
255.17529	100.0
256.17902	5.7
269.15494	4.4
273.18573	1.7
281.15436	0.8
287.16519	48.4
288.16858	3.5
295.16934	0.5
297.18655	0.5
299.16501	95.3
300.02380	0.4
300.16858	6.2
301.18036	1.5
302.03433	0.5
313.18149	1.2
315.04993	0.8
316.05139	1.0
317.05600	1.1
317.17554	48.1
318.17902	3.4
329.17493	1.6
331.19189	0.4
341.17532	2.6
345.15546	0.8
359.18576	3.2
373.08179	0.5
420.57211	0.3
521.11725	3.0
521.24084	1.4
521.33295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.4
60.99303	0.7
61.98826	1.4
71.01388	2.2
71.55038	0.8
73.02944	0.9
75.88196	0.5
78.95898	0.7
85.02953	0.8
87.00876	6.1
88.98817	2.1
89.02443	1.7
93.03460	1.3
94.92200	0.5
101.02455	0.8
105.03458	1.1
108.02265	0.6
119.05025	100.0
120.05364	2.5
121.02952	1.2
133.02948	7.8
134.03729	7.5
135.04478	1.8
137.02438	3.5
139.04045	0.9
149.04584	2.7
163.04004	93.4
164.04378	2.9
173.04568	1.4
173.06033	0.7
173.73698	0.6
174.03105	0.7
175.04102	0.6
176.65950	0.6
177.01973	4.0
178.02699	5.6
179.03517	1.2
186.06914	2.8
187.03983	0.8
187.07596	2.0
191.05586	1.8
200.04758	0.8
201.05580	1.2
203.07104	1.3
211.13409	5.3
214.06363	4.0
215.07050	2.4
229.08688	2.2
230.09471	1.5
233.08197	0.8
247.09612	1.3
248.10365	0.8
249.18620	2.2
275.16348	1.2
293.17590	3.0
299.16599	0.7
309.15225	0.8
311.05460	0.7
311.12906	0.7
317.21133	4.3
325.20132	5.5
327.16104	3.6
345.17020	8.6
346.17459	0.8
371.14926	2.3
389.15814	3.2
431.09674	1.0
503.18890	0.8
508.67151	0.7
521.19824	3.3
521.32916	2.9
522.24683	2.5
529.67639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92653	1.0
55.01878	1.0
57.03452	8.4
58.00580	1.5
59.01075	1.0
59.01382	24.9
61.98832	68.4
67.01884	2.0
68.99814	1.2
69.75042	4.0
71.01382	15.4
72.72458	0.9
72.99326	5.0
73.02947	3.5
73.79333	1.1
75.00861	1.2
81.03457	1.7
83.01395	5.4
83.05040	1.4
85.02956	34.8
87.00877	5.0
89.02454	9.4
93.03471	2.4
95.01398	1.6
95.05017	3.2
97.02951	1.3
98.20650	1.4
99.00864	1.1
99.04475	1.5
101.02434	10.9
108.02171	2.9
109.02981	4.9
111.00877	4.1
111.04481	1.5
112.04990	0.9
113.02444	3.8
113.06059	1.8
119.03510	3.3
121.02945	2.5
123.00850	3.0
123.04519	3.2
124.01674	2.9
125.02457	16.9
125.06084	3.3
129.01947	4.1
131.03479	3.9
133.02946	2.1
134.03691	1.9
135.04532	4.2
136.01640	2.2
137.02451	7.7
139.03996	2.9
139.07654	7.7
145.02930	3.9
146.03804	1.3
147.02983	4.3
147.04340	0.9
149.02441	1.2
150.03221	2.6
151.00360	2.0
151.03981	3.5
152.01137	1.4
153.01926	6.4
157.05095	6.0
159.04503	4.2
159.35887	1.0
160.05315	1.1
161.02446	5.9
161.04744	1.5
161.06068	11.2
163.04056	1.1
165.01907	2.9
165.05519	3.0
167.03500	5.0
167.07130	7.2
173.00833	1.4
173.04596	2.0
173.06082	2.4
175.06116	7.6
177.01953	1.8
178.02632	1.0
179.03491	4.1
179.05653	2.0
183.03001	3.3
183.10280	17.0
184.10564	1.1
186.03230	2.2
187.04005	1.7
188.04839	1.0
189.05548	4.4
191.01999	10.7
191.05620	1.6
191.07239	1.0
193.05003	3.7
193.07286	1.1
195.02997	5.2
197.04514	1.4
197.11810	3.9
209.02985	3.4
209.04692	1.4
213.04083	1.4
219.06738	1.0
225.11363	5.0
233.14447	0.9
255.12364	1.0
296.06897	3.0
308.07147	1.6
311.09271	18.9
312.09766	1.5
319.10153	2.1
323.09439	7.3
329.13815	1.1
337.11398	23.9
338.11713	0.9
341.10229	8.7
355.12360	6.1
359.06122	8.4
359.11115	3.6
359.14926	1.8
383.70007	0.9
449.10922	7.1
461.25290	0.9
503.13235	1.4
503.21274	11.2
521.16327	16.3
521.22333	100.0
522.22998	7.7
545.67981	1.4
549.70380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.6
57.03447	2.5
58.00592	4.3
59.01379	100.0
61.98824	7.4
69.50777	12.5
71.01381	66.7
72.29009	1.6
72.99308	4.6
73.02945	5.0
83.01385	4.0
85.02954	17.9
87.00877	4.5
88.98804	15.3
89.02441	84.2
93.03480	2.1
95.01398	5.1
98.91373	1.9
99.00881	2.9
101.02436	40.0
102.98610	6.7
105.34296	1.8
108.02145	2.4
109.02953	6.6
113.02446	32.1
119.03503	42.0
121.02953	5.5
123.04472	2.1
125.02460	2.0
131.03517	4.9
135.04459	2.2
136.00713	3.4
136.01656	30.1
137.01949	11.2
138.02126	5.2
143.03468	8.5
149.04572	4.2
151.04005	43.1
152.04341	20.2
153.01918	5.4
153.04494	10.4
155.75864	1.7
159.04532	3.9
160.05287	7.5
161.04570	8.5
161.05952	3.4
172.05290	3.8
173.06029	2.8
175.07620	2.7
179.05624	19.8
183.10330	1.9
185.98378	1.7
186.32924	2.2
186.61493	1.9
189.05515	5.3
190.06325	5.7
191.05646	5.4
195.02980	11.9
199.11263	2.3
202.06207	1.9
205.08574	4.3
255.05089	23.8
267.12473	1.8
281.08252	2.2
283.06076	1.8
296.10541	4.8
311.05630	2.9
311.12866	5.6
317.17596	4.8
341.13919	23.1
357.13525	10.8
358.13727	17.6
359.14050	34.6
377.39230	1.8
431.09653	5.8
462.77402	2.1
521.20465	4.2
521.33234	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	0.7
67.01879	0.4
67.13029	0.3
68.99812	1.1
69.03418	0.4
70.21819	0.4
71.17040	0.5
77.72718	0.3
78.95896	0.6
81.03438	0.5
88.11782	0.3
93.03447	2.8
93.07848	0.3
95.05030	0.3
105.03457	1.0
107.05024	1.3
108.02168	5.3
109.02940	4.6
111.36633	0.3
117.03475	1.4
119.05013	1.1
121.02946	8.9
122.03745	3.4
123.00876	1.0
123.04533	1.9
124.01645	0.7
133.02953	1.8
134.03748	1.2
135.04514	6.4
136.01659	15.1
137.02441	19.3
138.02867	0.4
143.05086	0.4
145.02927	1.0
145.06618	0.3
146.03700	0.6
147.04514	2.5
149.02411	1.5
149.06087	0.5
150.03194	1.2
151.03995	1.0
152.01160	1.0
152.99532	0.6
153.01901	0.7
154.02707	1.0
159.04504	1.3
161.02464	3.0
161.06075	1.9
162.03215	3.0
163.04007	12.6
164.04817	2.6
165.01920	12.5
165.05550	1.0
166.02553	0.4
173.06049	0.8
174.03188	0.6
175.03995	2.9
176.04773	1.6
177.01958	0.5
177.05530	1.1
179.03500	1.0
187.04002	1.5
189.05569	1.6
191.03491	13.7
191.05334	0.7
191.07117	0.5
193.05098	0.4
203.03589	0.8
204.04230	0.4
205.05031	2.7
207.02983	0.5
217.05042	0.6
220.78424	0.4
233.04477	0.7
239.07071	0.4
251.07066	0.4
267.06348	0.5
269.08218	0.4
297.07620	0.7
299.09296	1.2
316.68320	0.3
325.07153	0.5
326.08051	0.5
327.08691	7.8
328.09433	1.8
355.08209	7.8
356.08960	12.7
356.13303	0.7
357.09598	1.4
384.08493	11.6
385.09259	100.0
386.09625	5.5
403.10406	1.6
521.21796	24.9
522.21997	2.3
527.18646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13229	0.7
55.01862	1.0
57.03454	4.3
59.01110	1.1
59.01383	16.7
61.98836	4.4
69.03465	5.0
71.01385	10.0
71.05014	1.6
71.55819	0.9
72.99301	1.5
73.02953	4.1
74.34937	0.7
75.00880	0.9
79.95725	1.1
81.03463	2.7
83.01384	2.2
85.02956	11.8
87.00866	2.2
88.98803	1.3
89.02440	4.8
89.03933	1.0
91.04903	0.7
93.03477	1.8
95.52307	0.7
96.96023	8.1
97.73154	0.7
99.00847	1.5
99.04487	1.7
101.02446	6.2
105.02667	0.8
106.39317	0.6
107.04982	1.1
108.02174	1.7
109.02969	2.7
111.00854	1.5
111.04550	0.8
111.08152	1.6
113.02428	3.8
113.06076	0.9
117.03449	3.9
119.03499	1.7
119.05027	0.9
121.02978	1.8
123.04547	1.6
124.01627	0.8
125.02467	1.8
129.01889	1.6
132.02180	2.8
133.02974	2.1
134.03746	60.3
135.04448	2.8
137.02438	7.6
139.04076	1.3
139.11293	7.7
143.03514	5.2
147.02959	1.2
149.06073	9.7
150.03241	1.1
151.04028	5.0
152.01195	1.2
153.02003	1.2
159.03003	0.7
160.01648	20.4
161.02390	1.2
161.04536	3.3
164.98366	0.8
167.03476	1.4
173.00903	0.9
173.04521	1.9
174.03207	0.9
175.04008	41.9
176.04297	1.2
177.01945	1.4
178.02707	11.6
179.03433	1.5
182.02263	1.3
183.04630	0.7
183.10262	32.5
189.05704	0.7
191.01979	1.6
191.05620	1.8
193.05051	100.0
194.05353	2.5
197.06065	0.9
209.03067	1.1
225.05626	3.8
231.10318	0.8
233.04533	2.0
242.05861	0.8
243.06625	6.1
257.00781	0.9
257.08130	1.4
258.08945	9.1
259.09641	0.8
273.11258	6.5
285.00363	4.5
286.00983	0.7
293.10275	8.5
300.02588	3.7
301.03387	1.3
313.00104	1.4
315.05121	2.1
317.10150	1.2
327.14581	4.5
328.02368	0.9
329.03152	3.7
337.09299	21.2
337.18738	0.7
341.14148	1.1
343.04538	6.0
344.05334	8.4
345.15634	2.5
355.10529	1.4
358.06442	3.0
358.52921	0.7
359.07672	15.9
359.15735	1.4
359.28091	4.0
360.07852	2.0
372.07208	2.0
373.08371	2.9
388.06985	1.7
401.07996	2.9
431.08813	0.8
479.15796	3.7
506.10599	2.0
521.11627	10.1
521.18170	17.6
521.33575	15.4
522.11566	1.4
522.18256	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
57.03447	4.0
59.01382	37.9
61.98830	6.9
70.91843	2.6
71.01385	23.3
72.99316	2.5
73.02936	6.1
83.01404	4.4
84.02201	1.1
85.02953	36.8
87.00877	3.0
88.98779	1.6
89.02454	12.3
95.01417	2.4
96.95996	1.3
99.00864	2.5
101.02448	15.4
107.70012	1.0
108.02208	2.2
109.02956	9.7
109.52547	1.1
111.00884	8.6
113.02454	7.4
114.05600	1.2
119.03507	4.6
119.04974	1.1
121.02985	3.3
122.03831	1.1
123.04514	2.5
125.02464	1.9
126.39168	0.9
129.01967	6.0
131.03490	1.1
134.03769	2.0
135.04538	5.0
136.01582	1.4
137.02457	1.7
139.17352	0.9
145.02982	1.6
147.03044	3.7
147.04591	1.3
149.04582	1.6
150.03236	3.2
151.04051	2.7
156.87236	1.0
158.03767	2.2
159.03261	1.1
159.04494	6.7
160.05313	12.8
161.02425	1.6
161.04684	2.0
161.06105	6.6
163.03987	4.7
163.07707	1.0
164.04817	2.0
167.03491	1.6
173.00894	4.9
173.04694	1.4
173.06015	5.4
175.07645	11.9
177.05582	3.2
178.06342	5.2
179.03529	3.0
179.05646	1.2
189.05629	3.8
191.01999	9.7
191.03494	1.3
192.07954	1.2
193.05055	2.5
193.08720	1.2
209.03084	4.2
241.05179	5.3
253.05148	1.3
255.06676	3.8
267.06693	1.2
269.08084	1.0
281.08313	1.8
283.09821	1.1
295.09818	1.5
299.09406	2.4
311.09256	6.3
313.10651	5.8
326.11603	2.6
327.12250	1.8
329.10324	2.3
329.13922	49.9
330.14285	2.2
331.58096	1.1
341.10315	1.3
341.14175	3.7
343.12094	2.1
344.12640	18.3
345.13235	1.8
359.06406	8.7
359.15021	44.2
360.15521	3.1
461.25894	4.0
521.20526	100.0
522.20789	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	521.2029
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01887	1.5
57.03445	2.4
58.00597	1.4
59.01382	28.0
61.98830	6.5
70.69105	1.4
71.01385	20.1
72.99322	1.2
73.02957	4.8
76.36643	0.9
83.01389	3.4
85.02956	18.7
87.00887	1.7
88.98824	1.2
89.02448	10.3
95.01412	1.6
99.00897	2.2
101.02438	12.3
108.02209	1.4
109.02962	5.9
111.00879	4.8
113.02456	5.7
114.05582	0.7
119.03506	3.4
123.04545	1.8
125.02477	1.2
129.01926	2.8
131.03410	0.6
134.03796	1.3
135.04539	1.7
137.02470	0.9
143.03517	0.6
145.02994	1.0
147.02985	1.5
149.06059	0.6
150.03223	1.5
151.04013	0.9
153.09203	0.8
159.04504	2.8
160.05267	3.6
161.02469	1.2
161.04622	1.3
161.06076	1.7
163.03972	1.7
167.03494	1.4
172.05228	1.2
173.00908	2.9
173.06078	1.6
175.07639	2.4
177.05586	1.1
178.06261	0.8
179.03519	1.5
179.05627	0.8
181.01357	1.0
187.07674	1.0
189.05591	2.6
191.01984	3.7
191.07088	1.1
193.05180	0.9
203.07028	0.8
209.03033	0.9
224.16483	0.8
226.97662	0.6
241.05064	3.7
253.14851	0.7
255.06647	2.8
263.07135	0.7
267.06464	1.5
268.07361	0.8
269.08160	0.6
281.08075	1.6
283.09659	0.8
295.09827	1.7
296.10568	1.1
299.09308	4.3
311.09421	3.4
313.10782	4.9
326.11707	3.9
327.12271	1.3
329.10248	1.7
329.13889	11.2
330.14465	0.7
341.14026	2.6
343.11752	1.4
344.01227	0.7
344.12637	18.7
345.13013	2.1
359.06113	2.1
359.15012	42.0
360.15323	2.9
460.25815	1.1
461.25943	5.5
521.20349	100.0
522.20758	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	521.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
57.03438	2.2
58.00587	3.5
59.01380	100.0
61.98832	4.5
66.25327	0.8
69.03429	0.9
71.01383	66.1
71.23646	1.2
72.01703	0.8
72.92604	0.7
72.99305	3.9
73.02957	2.1
83.01392	2.6
85.02950	19.2
86.03288	2.0
87.00864	5.5
87.10790	0.7
89.02447	83.3
90.02753	0.9
93.03435	0.8
95.00880	0.9
95.01375	3.9
96.96010	2.4
97.32135	0.7
101.02441	37.4
108.02186	2.4
109.02944	2.4
111.00833	1.5
113.02451	27.9
113.99586	1.2
119.03504	38.7
121.02974	3.4
122.03756	1.8
123.04523	1.8
125.02438	2.3
129.01933	3.1
131.02574	0.8
131.03497	4.8
134.03761	0.9
135.04530	1.7
143.03517	9.9
143.04732	1.1
143.04921	0.9
145.02940	1.4
149.04553	3.6
151.00417	0.8
153.05591	1.0
153.09193	1.2
159.04538	2.5
160.05312	8.1
161.02472	2.0
161.04549	8.5
161.06041	2.6
163.04034	1.3
167.03448	1.1
169.26453	0.8
172.05347	3.9
173.06113	2.2
175.07660	3.4
178.06380	0.8
179.05618	19.1
179.07127	1.0
184.32507	0.8
187.07646	2.1
189.05562	7.3
190.06377	6.0
193.05023	2.2
203.07068	1.0
205.08655	6.0
239.09097	1.1
259.02490	1.1
281.08109	2.6
284.50632	0.9
295.09720	1.4
296.10495	4.7
311.12900	4.9
329.13928	3.5
335.55603	0.9
341.13919	24.7
342.14291	2.1
402.37918	0.9
521.12292	1.2
521.20026	11.1
522.20148	1.1
533.64282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	3.1
59.01387	5.9
61.98821	2.9
69.03465	4.7
69.18023	1.4
69.18426	5.4
71.01374	1.5
71.05014	1.1
73.02957	0.7
73.67498	0.7
82.41845	0.6
85.02947	3.7
89.02441	0.9
95.01331	0.6
101.02471	1.5
107.05025	0.7
109.02943	0.8
111.08172	1.9
113.02458	1.3
119.05035	1.8
120.05415	0.7
121.02959	8.6
123.08131	0.8
129.01942	1.2
132.02156	0.7
134.03767	1.3
135.04543	1.9
137.02390	1.0
139.11307	6.2
147.04526	3.9
149.02443	46.9
152.01178	4.4
163.03996	4.4
164.04797	34.1
165.01918	0.9
167.03493	1.3
169.05040	1.3
179.07115	4.4
183.10263	31.3
184.10609	1.2
190.02664	0.7
191.07141	0.7
193.01404	8.4
193.04999	0.8
205.05055	1.1
208.03761	18.5
223.06116	100.0
224.06383	3.2
225.00618	0.7
255.17549	1.8
271.47861	0.6
293.10318	7.6
299.16467	1.0
315.14481	1.2
317.17593	0.9
337.09335	17.4
521.12036	2.9
521.19653	1.2
521.33362	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1666
Annotation	6-Feruloylcatalpol
Peak:m/z	Relative Intensity
51.06246	0.5
51.68088	0.6
55.01861	1.1
57.03425	1.7
58.00587	1.2
58.42101	0.6
59.01385	32.7
60.71365	0.5
61.98833	57.3
64.86414	0.5
67.01897	10.9
68.99793	0.6
70.96443	1.3
71.01385	20.1
71.95037	0.5
72.99284	2.0
73.02918	1.7
74.11015	0.6
83.01382	2.7
85.02473	0.8
85.02953	15.0
87.00849	1.4
89.02445	14.6
93.03471	0.9
95.01386	3.0
96.95966	1.0
99.00879	0.7
101.02461	11.8
108.02161	4.8
109.02974	6.7
111.00882	2.8
113.02454	5.5
117.03397	0.6
119.03497	5.1
119.04960	0.6
121.02962	5.3
123.00878	4.8
123.04537	4.0
124.01604	2.2
125.02401	0.7
129.01889	1.7
130.04207	0.6
131.03485	0.7
133.02965	6.3
134.03685	1.6
135.04536	4.9
136.00745	0.6
136.01669	8.3
137.02388	1.5
138.03156	0.8
143.04974	1.3
145.02890	1.3
146.03697	1.5
147.02960	1.8
147.04474	0.9
149.06076	0.7
150.03239	2.7
151.04021	18.5
152.01140	0.7
152.04272	0.6
153.01857	1.7
154.80296	0.6
159.03229	0.7
159.04510	12.8
160.05304	12.7
161.02451	9.7
161.04672	1.0
161.06075	9.6
162.06447	0.6
165.05484	2.0
166.99806	1.4
167.03500	2.6
173.00853	0.8
173.04491	0.8
173.05919	1.4
174.03157	2.3
175.04028	4.4
175.07649	7.6
177.05527	1.7
179.03513	3.6
179.05515	0.7
182.02214	4.1
186.03151	1.6
187.04022	15.1
188.03172	0.6
188.04782	14.9
189.05568	23.8
191.01906	3.6
191.03493	1.0
191.05559	0.9
193.04987	2.4
195.06516	1.0
197.04562	3.7
203.03413	0.9
209.04453	2.0
221.04411	0.8
233.04417	0.6
241.00166	0.6
241.05025	1.0
267.06485	1.1
268.07275	1.3
278.05563	0.6
281.04547	1.1
281.07553	0.7
283.09561	1.0
295.06149	1.2
295.09494	0.7
296.04193	0.7
296.06915	6.7
297.07239	0.6
299.09167	0.7
311.09259	48.2
312.09421	2.4
313.10760	1.1
323.07629	11.2
324.07898	0.7
329.13800	1.9
341.10318	11.8
342.10431	1.2
344.12692	5.0
359.06259	4.2
359.11047	0.9
359.14999	10.9
399.88077	0.6
461.25592	0.9
462.11258	0.6
521.16376	100.0
522.16669	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	521.1306
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
51.94671	0.4
57.03445	1.0
57.96918	0.4
58.22460	0.4
59.01381	5.8
61.02891	0.4
61.98831	6.0
69.03488	0.4
70.22623	1.6
71.01383	2.9
73.02946	1.0
83.01377	1.1
85.02947	6.3
85.06599	0.7
89.02442	0.9
93.03463	0.9
96.96014	0.8
101.02441	1.7
103.00374	0.7
108.02170	0.5
109.02933	0.8
110.00121	0.6
111.00858	0.9
111.04477	0.5
113.02470	0.5
125.02440	0.6
129.01942	1.8
134.03741	1.3
135.04529	1.0
137.02390	0.8
137.06067	0.5
147.02989	1.1
149.99556	0.6
153.01938	2.4
153.05594	2.0
163.03958	1.1
164.98312	0.9
165.99071	0.9
167.03502	1.4
175.03995	0.7
179.03513	0.9
183.10257	1.0
184.05333	0.7
185.02396	1.1
185.11787	1.3
186.03253	1.1
191.01981	1.6
191.05580	0.6
193.05075	1.5
197.02504	0.7
213.01869	2.8
214.02539	0.6
226.02800	0.5
228.04382	0.9
229.01312	1.2
230.02200	0.6
241.01381	3.2
242.02109	1.4
246.62799	0.5
254.02330	0.5
255.02959	1.5
257.00964	5.0
258.01691	2.8
259.06143	1.7
269.00903	1.4
270.01630	1.2
271.02487	3.2
272.03244	0.9
272.10300	0.5
283.02383	1.3
284.03339	1.4
285.00400	26.6
286.01157	5.6
287.05576	1.1
299.02036	2.9
300.02762	32.0
301.03485	16.1
302.03796	0.7
312.99908	5.2
313.03241	0.7
314.00534	0.6
315.05069	10.4
316.05655	0.6
327.01355	1.6
328.02225	10.5
329.02975	8.5
343.04572	54.2
344.05292	17.5
345.05920	1.7
358.06998	5.5
359.07693	20.7
359.14774	0.8
359.28250	0.8
360.03455	0.5
360.07977	1.3
367.10089	0.5
371.06961	0.6
372.07471	0.7
373.08353	1.1
375.13031	1.2
388.06967	0.6
401.08026	2.0
491.08395	1.3
506.10648	10.2
507.11276	0.7
521.12933	100.0
521.33801	3.7
522.13336	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	521.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27467	0.9
51.54048	0.9
52.57419	1.0
55.77867	1.0
57.03447	9.7
58.57542	1.0
59.01381	8.4
61.98838	4.7
65.00301	1.3
67.01857	1.0
70.91480	2.7
71.01363	4.1
73.02953	2.6
76.25495	1.0
77.28391	0.8
81.03448	4.4
83.01373	6.3
85.02946	2.8
87.00867	1.6
87.04517	3.1
88.98827	5.1
89.02422	2.0
93.03436	2.4
95.01369	1.7
95.05047	2.5
96.35765	1.1
97.02934	2.1
101.02431	2.6
107.01391	2.8
108.02155	3.6
109.02961	9.2
111.00865	2.2
113.02413	2.3
117.03457	3.4
119.05008	1.6
121.02914	3.1
123.00928	1.5
123.04519	8.7
123.08138	2.0
124.01664	1.2
125.02444	100.0
125.06075	1.3
126.02744	1.2
132.04649	0.9
134.03735	1.0
135.04510	5.2
136.01642	4.1
137.02448	32.5
139.04013	1.7
141.09175	3.4
145.02953	41.0
146.03764	2.7
147.04494	1.2
149.02431	15.3
150.03191	3.7
151.00368	1.9
151.03996	8.9
152.01155	6.1
153.01857	1.2
157.62218	0.9
159.04500	4.3
161.02376	3.8
161.04822	1.1
161.06029	7.3
162.03156	1.1
163.03937	3.8
164.01079	1.4
165.01904	2.9
166.02583	1.3
167.03479	12.1
176.04791	1.9
177.01851	1.3
177.05530	1.2
179.03488	12.4
179.05666	0.9
179.07097	2.1
183.04456	1.4
184.05103	1.0
185.06061	5.9
187.04002	7.3
188.04733	1.4
191.05559	4.9
191.07104	1.4
193.08688	1.0
194.05801	6.6
195.06537	1.4
201.05522	1.4
202.06343	1.7
203.07104	6.7
205.05006	2.8
209.06184	1.9
209.08159	21.1
221.08105	2.1
227.03462	1.1
227.07074	4.0
229.05025	1.6
245.08139	6.0
253.05077	5.3
271.06107	95.0
272.06387	4.6
289.03964	2.2
289.07162	37.5
296.10342	1.1
307.08218	2.8
311.07901	11.3
311.12982	1.9
315.12439	4.6
329.13904	3.3
339.12308	2.5
341.10172	2.7
359.11267	35.8
359.15051	4.6
360.11649	2.0
431.10086	1.5
433.11368	4.4
451.12051	1.4
473.14410	6.2
521.16486	28.7
521.25201	1.5
522.17023	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	521.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
57.03454	2.2
59.01157	0.4
59.01387	4.3
61.98833	1.2
62.95542	0.4
70.53623	1.1
71.01389	3.4
72.99309	0.6
73.02940	1.0
81.03465	1.1
83.01392	1.2
84.02176	0.5
85.02954	17.0
87.00874	0.6
88.98805	1.1
89.02443	1.6
91.01905	0.6
93.03466	1.0
95.01400	1.0
101.02450	1.9
107.01354	0.4
108.02177	43.2
109.02965	24.6
109.03574	0.3
110.03293	0.6
111.00874	2.1
113.02442	1.3
117.31704	0.5
118.36436	0.4
119.01370	1.2
119.03480	0.4
119.05025	3.1
121.02935	1.8
123.00865	1.7
123.04521	1.5
125.02427	1.2
127.68166	0.5
129.01944	6.4
133.02969	0.7
134.03741	1.0
135.00880	1.7
135.04524	4.8
137.02483	1.0
145.02953	1.1
146.03751	0.6
147.00925	0.9
147.03009	1.8
149.02437	5.5
150.03189	2.0
151.03987	1.0
152.01158	49.9
153.01938	21.3
155.10793	0.8
158.83276	0.4
161.02441	1.5
161.04546	0.5
161.06152	0.5
163.04021	4.7
164.04774	3.1
165.01921	1.3
165.05579	1.0
165.16536	0.4
167.03513	2.4
173.00899	2.1
173.04509	0.6
175.00369	6.9
175.04034	0.6
176.01157	7.1
177.01840	1.0
177.05525	0.6
179.03514	3.1
179.05681	0.4
179.07144	1.3
182.02283	0.5
183.10313	0.7
184.69203	0.4
190.00999	0.9
190.02713	18.1
191.03514	13.1
191.05374	1.0
192.03871	0.7
193.05110	0.9
194.02287	0.7
195.02972	1.0
197.04651	0.9
199.03915	0.4
205.05060	12.1
206.05653	0.8
208.03632	0.5
209.04544	2.3
223.06073	2.1
227.03493	0.6
243.03055	1.2
244.03284	0.7
255.03014	1.1
258.05301	0.5
271.02502	1.3
272.02768	0.9
273.02957	1.4
273.07617	0.7
285.04077	0.7
299.02081	2.8
299.99240	0.4
300.02307	2.5
301.02579	4.4
302.03156	0.8
313.12833	1.0
314.04337	2.2
315.07358	14.7
316.04752	3.1
317.05688	1.4
337.05505	0.7
341.08835	1.0
341.13904	1.0
353.08707	4.0
357.12039	0.9
359.10385	0.5
367.10400	0.8
375.12915	1.4
401.08209	0.8
477.13873	1.7
479.11057	0.9
489.10202	0.9
506.10587	0.5
521.12897	100.0
522.13214	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	521.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
57.18010	0.4
57.18283	0.4
59.01160	0.3
59.01379	4.0
61.98595	0.3
61.98838	3.9
63.02420	0.3
69.46014	0.8
69.46421	2.3
71.01366	1.7
73.02943	0.9
83.01389	1.3
85.02537	0.4
85.02962	5.4
87.00902	0.5
88.98792	0.9
93.03452	1.5
96.96034	0.5
101.02434	0.8
103.00352	0.6
108.02183	0.5
109.02962	0.4
111.00853	0.7
119.04944	0.4
129.01962	1.8
133.03053	0.4
134.03702	0.6
135.04506	1.2
137.02458	1.1
143.12605	0.4
149.02414	0.5
153.01834	0.4
163.03914	0.5
167.03502	1.2
173.00932	0.5
173.04521	0.6
178.02756	1.8
179.03470	1.1
183.10210	0.4
191.01906	1.8
193.05014	3.1
219.02911	0.5
220.06349	0.5
223.06117	0.9
234.56206	0.4
245.07205	0.4
249.06557	1.0
273.06931	0.7
273.18628	0.5
285.06747	0.6
287.08142	0.5
288.05392	3.5
289.06335	0.6
291.07990	0.5
300.02646	0.5
301.02850	1.0
301.06180	2.0
302.03363	1.3
302.06949	4.3
303.07751	0.8
315.04568	1.0
315.07874	0.8
316.04996	1.7
317.05695	4.8
319.07516	0.6
329.05457	2.2
330.06421	2.7
331.07196	1.5
341.06104	0.4
342.06610	0.6
343.03430	0.6
343.07104	1.7
344.08075	0.8
345.05234	1.2
345.08987	0.5
346.06110	0.4
356.07852	0.5
357.05078	1.2
357.08990	0.8
358.05981	8.0
359.06693	9.7
360.07471	6.3
361.08075	2.2
371.06668	1.6
372.07492	9.3
373.08218	12.5
374.08551	0.7
375.12912	1.7
383.06635	0.7
385.08261	0.7
387.06100	0.7
387.10516	0.4
388.07001	17.5
389.07736	3.7
400.06985	1.5
401.07739	12.9
402.08505	2.0
409.16901	0.4
414.08536	0.5
415.09311	1.3
418.08002	0.7
426.07941	0.4
431.08734	3.4
432.09311	0.6
455.08099	0.4
473.09961	0.4
503.10818	0.8
521.11993	100.0
522.12305	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	521.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89524	0.6
52.70488	0.5
55.01876	2.8
56.56266	0.5
57.03199	0.9
57.03452	11.9
59.01385	5.7
61.98846	0.6
65.43962	0.6
68.99791	0.8
69.87851	2.5
71.01385	2.7
72.99326	0.9
75.00867	1.3
83.01389	2.8
84.02168	2.2
85.02953	100.0
86.03288	1.2
87.00880	1.1
91.01913	0.7
96.95998	4.3
101.02454	1.0
103.00362	1.6
108.02199	0.6
111.00879	5.3
123.04532	2.3
125.29630	0.6
129.01945	11.4
133.01428	0.7
133.02914	0.7
134.03764	0.8
135.04489	3.4
147.03001	18.4
152.01207	1.0
161.02454	2.0
167.03502	8.1
173.00937	3.1
176.24788	0.6
178.02768	0.6
179.03513	1.7
191.01985	38.5
192.02345	0.9
196.73277	0.6
209.03027	10.3
241.00235	1.6
305.01352	0.7
313.47391	0.6
341.05157	3.4
359.06183	44.3
360.06598	1.8
435.06018	1.4
477.07239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
57.03448	13.9
59.01381	7.5
61.98833	30.8
66.23686	0.6
71.01385	5.6
72.99323	0.7
73.02952	2.0
75.00870	1.5
78.60776	0.7
83.01394	3.5
83.92670	0.6
84.02166	2.8
85.02953	100.0
85.56101	0.6
86.03293	1.7
87.00855	1.3
89.02460	2.2
96.96008	1.6
101.02434	1.8
103.00378	1.2
106.58652	0.6
108.02193	0.9
109.02988	0.9
111.00883	6.1
113.02446	1.0
115.00357	0.7
123.04522	3.4
125.02392	0.7
126.64998	0.7
129.01950	14.8
131.03534	0.6
133.01419	1.0
133.02908	1.1
134.03726	1.2
135.04514	4.4
147.03003	20.7
152.01161	1.8
152.85619	0.7
161.02455	2.3
167.03499	8.6
173.00900	4.9
179.03537	3.6
191.01973	44.6
192.02345	0.8
209.03004	13.6
241.00275	0.8
274.09451	0.6
303.21085	0.7
311.08264	0.6
341.05057	3.8
359.06192	37.5
359.10257	1.2
360.06531	2.0
365.17966	1.1
429.39108	0.8
431.14444	1.6
461.20456	2.0
521.16772	2.1
521.23596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97775	0.5
53.00315	0.5
55.01881	2.0
57.03455	12.2
59.01383	6.6
61.98825	1.2
68.99834	0.8
71.01395	3.7
71.23940	0.5
71.24670	1.1
72.99313	1.2
73.02932	0.6
74.56496	0.5
75.00887	1.3
81.58131	0.5
83.01375	3.6
83.32265	0.4
84.02158	2.8
85.02954	100.0
85.80241	0.5
86.03288	1.4
87.00898	1.5
89.02468	1.1
91.01932	0.5
96.96018	4.4
101.02430	0.9
103.00368	2.0
108.02149	1.1
109.02922	0.9
111.00890	8.1
120.99674	1.0
123.00880	0.6
123.04557	2.7
129.01950	15.7
133.01340	0.5
134.03749	1.6
135.04535	12.5
147.03000	16.3
152.01233	0.6
155.78453	0.5
161.02406	1.2
167.03506	5.0
173.00890	6.0
178.02762	0.6
179.03497	9.9
191.01976	53.5
192.02263	0.9
192.04288	0.6
193.04979	1.2
209.01035	0.8
209.03020	16.1
209.04903	0.8
235.06099	1.7
241.00218	2.4
277.02908	0.6
281.54840	0.5
283.01324	0.6
297.06155	1.2
341.05173	3.9
353.04990	0.9
359.06195	34.5
360.06656	2.0
371.06528	0.7
435.05701	0.8
477.06998	1.1
521.05890	0.6
521.18719	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42871	0.3
57.03448	0.6
59.01375	4.7
60.99305	16.3
61.98825	7.1
68.69508	0.5
69.40951	0.9
69.41364	2.0
71.01375	1.6
73.02944	0.5
85.02945	2.6
88.98801	100.0
89.02445	0.5
89.99130	0.5
101.02441	1.0
113.96194	0.5
119.05042	0.9
129.01930	0.6
135.94232	0.4
138.46951	0.5
158.30247	0.4
163.04051	0.5
211.28233	0.4
222.53181	0.4
225.11259	0.7
227.03708	0.5
229.47539	0.5
241.34995	0.5
253.26459	0.5
255.03014	0.6
284.03253	1.4
285.04092	0.8
375.12787	0.9
431.09686	1.4
521.15985	0.7
521.33167	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63130	0.6
55.01875	2.0
57.03157	0.9
57.03445	12.6
59.01377	6.6
62.23801	0.8
62.42216	0.7
71.01376	3.5
71.53300	1.0
72.99297	0.9
74.99156	0.7
75.00867	1.7
78.95935	0.9
83.01392	3.2
84.02176	2.4
85.02952	100.0
86.03281	2.0
87.00909	1.8
89.02436	1.4
96.96015	5.4
96.96955	1.5
101.02396	0.9
102.23336	0.7
103.00362	2.0
108.02151	1.1
111.00881	7.0
123.04520	8.2
129.01936	14.2
133.01483	1.2
134.03726	1.0
135.04510	6.0
147.03000	18.7
149.02487	1.0
151.93896	0.7
161.02486	1.8
161.04568	1.2
167.03513	8.2
173.00951	2.7
179.03493	4.4
179.05598	5.8
191.01974	44.5
191.05632	1.3
192.02118	0.9
193.05077	0.9
197.04715	0.8
206.16457	0.7
209.03012	13.6
235.06013	0.7
241.00308	2.3
329.08685	4.6
341.05084	3.6
349.91388	0.7
359.06183	47.7
360.06787	1.1
435.06143	1.4
477.06897	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40356	0.7
59.01373	2.8
60.31995	0.8
60.99306	15.7
64.64902	0.8
65.91252	0.8
66.77885	0.9
71.01353	0.9
88.98804	100.0
101.02424	1.4
117.03491	1.3
121.02956	1.1
134.03731	1.9
135.04501	0.8
147.04469	1.0
148.05460	0.9
149.02406	1.0
150.03214	1.9
157.42819	0.9
159.04507	2.0
160.05383	1.8
161.02437	1.6
161.06071	3.2
162.03218	1.7
162.06801	1.4
163.03976	2.6
165.05521	2.6
172.05290	12.2
173.06070	1.8
174.03235	2.0
175.04059	1.0
175.07620	1.3
177.05585	1.6
178.06317	1.8
180.04292	1.1
187.07625	15.5
189.05603	1.2
190.06323	6.5
191.07072	2.4
193.05051	5.6
205.08577	4.2
207.06567	1.2
210.05354	1.2
239.07074	1.1
269.04456	1.0
283.06155	13.2
293.08035	1.4
299.12946	1.9
308.10471	1.4
311.05606	25.3
311.12759	2.2
323.05225	1.0
323.12854	1.5
329.13992	7.7
341.06567	3.7
341.10318	1.9
341.13840	15.8
359.15005	38.1
360.15137	2.0
397.65417	0.9
431.09796	36.9
432.10156	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	520.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39729	0.2
61.98822	0.7
62.96387	0.2
70.01810	0.9
71.01408	0.2
74.71648	0.2
78.95904	42.1
79.33627	0.2
84.17488	0.2
90.51945	0.2
96.96965	5.5
150.98010	1.8
152.99583	100.0
153.99916	0.8
164.73166	0.3
171.00641	3.7
209.88588	0.2
271.30136	0.2
279.23318	0.9
347.51291	0.2
362.91464	0.2
433.23578	27.0
434.23923	2.0
520.26819	6.9
521.26764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03445	3.9
59.01383	49.5
60.01710	1.2
61.98832	100.0
69.51076	6.5
69.51776	1.4
71.01383	35.7
73.02958	9.7
83.01398	3.1
85.02956	18.6
87.00877	2.6
87.04552	2.0
89.02444	18.7
93.03465	1.7
95.01391	2.6
96.95989	4.3
99.00880	2.9
101.02445	19.9
109.02928	3.5
111.00888	1.7
113.02444	14.1
114.05599	2.4
119.03518	8.6
123.04524	1.7
125.02452	4.7
129.02008	2.7
130.08762	3.4
131.03503	1.7
134.03752	2.8
137.02472	1.6
145.04953	2.2
145.45348	1.4
150.03244	1.9
151.00323	1.8
151.04019	2.1
154.70103	1.4
156.63264	1.3
159.04547	2.3
159.30042	1.3
161.02432	1.4
161.04581	4.8
161.05914	1.4
163.03999	1.7
165.05585	1.7
167.03537	1.9
172.05302	3.1
173.04622	1.8
173.06047	1.9
179.05589	2.1
187.07649	2.7
188.04811	1.7
189.05540	2.0
193.05061	3.6
205.71312	1.3
224.16557	10.4
241.00240	3.5
241.04980	2.1
280.19061	3.2
298.20380	6.4
311.09204	6.0
313.10898	1.7
326.11307	2.3
329.13889	2.0
341.10239	3.4
341.14026	3.1
344.12747	6.4
359.14999	23.7
386.40625	1.6
460.25513	83.4
461.25931	5.2
519.74060	1.4
520.26141	2.1
521.20862	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
57.03440	1.2
59.01379	7.5
61.98830	4.8
71.01370	1.9
73.02942	0.8
79.95734	3.9
80.96508	1.6
83.01382	0.7
84.02145	0.4
85.02953	8.1
87.00876	0.7
87.16508	0.3
89.02449	0.5
94.98097	0.5
96.96014	100.0
97.95954	0.4
101.02464	1.5
103.00381	5.4
111.00879	1.4
113.02463	0.9
121.02939	0.5
123.04529	0.3
125.02423	0.4
129.01938	0.7
131.03362	0.3
134.03745	9.3
134.97586	1.7
137.02441	2.1
138.97086	1.5
139.04021	0.6
147.03029	1.0
149.06079	4.0
152.98645	4.9
161.04567	0.4
164.98602	0.4
167.03551	0.3
178.02715	7.0
179.03412	0.4
180.98102	1.2
191.01965	3.7
193.05051	19.0
194.05367	0.5
194.99699	0.8
209.02972	1.0
222.99184	1.0
235.06033	0.3
241.00233	43.9
242.00432	0.6
258.96045	0.4
283.01291	16.8
283.51331	0.3
327.00189	2.0
336.26727	0.3
353.13797	0.3
359.06390	2.7
359.14972	1.2
365.18173	0.4
421.78641	0.4
431.15540	0.4
435.06018	31.8
436.06323	1.9
459.17590	0.3
477.07071	29.4
477.18518	1.1
478.07568	2.2
503.05118	1.8
521.06049	20.2
521.18414	0.6
522.06482	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59126	0.2
61.98807	0.2
62.96405	0.2
63.96535	0.2
76.81721	0.2
78.95905	42.1
96.96964	5.8
150.98029	1.5
152.99586	100.0
153.99937	1.2
171.00647	3.9
208.28331	0.2
229.17238	0.3
279.23224	1.2
330.27765	0.2
365.56296	0.2
433.23575	28.0
434.23816	1.6
520.26801	7.7
521.27148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.4
60.01705	2.2
61.01813	2.3
61.98829	100.0
68.90369	0.6
71.17605	1.1
71.17946	0.7
73.12582	0.7
73.97852	0.6
78.95905	1.4
113.91553	0.7
115.84521	0.8
116.92910	0.6
152.99564	1.8
177.09178	0.6
180.62581	0.6
191.05817	0.8
195.13855	0.9
198.23338	0.8
218.26115	0.7
226.41118	0.7
244.11949	0.8
293.21268	2.5
295.22488	0.9
298.10272	0.7
512.96051	0.7
521.12726	0.7
521.25262	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	520.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15108	1.0
54.76016	1.0
59.01385	13.3
60.01690	2.0
61.01794	1.6
61.98828	100.0
71.54395	1.6
77.41811	1.0
83.00112	1.0
85.68842	1.1
89.02444	1.4
90.52488	1.1
99.91876	1.0
147.53964	1.3
151.03963	1.4
163.51387	1.0
164.83603	5.1
214.06480	1.1
260.14053	1.1
296.66611	1.1
325.94437	1.1
433.81326	1.3
452.18127	2.8
521.25659	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	520.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	10.3
59.01379	9.6
60.99304	0.6
61.98548	0.8
61.98835	9.4
71.01397	4.7
72.00928	1.1
74.02467	19.9
80.03769	0.8
81.04579	1.0
82.02966	2.4
84.00897	0.7
84.04564	0.8
85.02937	2.7
86.02470	8.8
86.06135	1.0
87.00865	1.3
87.05616	3.2
88.98823	3.8
89.02441	3.8
89.99104	0.8
90.02769	0.9
93.03481	1.2
95.02531	0.7
96.04582	1.0
97.04043	2.5
98.20655	2.2
99.05640	16.9
100.04041	1.2
101.02442	2.0
101.07204	3.5
102.05606	3.7
106.06631	1.0
106.97985	0.7
107.06144	1.6
109.02948	1.1
109.04049	2.8
109.07698	1.5
111.05614	1.6
112.04041	2.2
113.02419	2.5
119.03485	1.3
119.05027	9.4
121.02922	1.4
123.00903	0.7
123.05693	1.4
124.01678	1.0
124.04814	0.9
124.07687	1.6
125.03546	3.1
126.04361	0.9
127.05177	4.1
128.03532	50.4
135.05627	6.9
136.01660	8.4
137.02037	3.2
137.07208	1.4
141.06685	2.9
143.04613	61.6
144.04938	0.9
145.06178	3.3
146.04584	6.9
149.04555	0.9
149.07179	0.9
150.03168	0.8
150.05598	2.3
151.00398	0.9
151.03993	9.5
152.04366	4.8
153.06694	4.9
155.08234	1.6
163.03987	6.8
165.05496	0.9
166.09802	2.4
167.04625	2.6
167.08244	5.8
168.06590	1.0
170.03326	1.9
171.04057	1.4
179.04594	16.4
181.06154	2.5
184.10793	1.0
185.05693	1.3
187.04089	0.8
191.05556	2.7
192.07780	1.7
195.13863	1.2
197.05600	3.7
197.59038	0.7
210.08807	15.7
213.14931	6.9
225.54694	0.7
227.03372	1.2
228.09917	1.1
243.02898	2.6
244.03285	3.5
246.93112	0.8
247.13692	9.4
254.07797	32.9
255.02930	1.9
256.03238	2.1
271.02475	5.1
272.02820	9.1
272.08859	49.9
286.04507	1.1
299.01898	8.2
300.02417	15.3
301.03061	9.9
303.14154	0.8
314.04324	3.9
314.11688	0.7
315.04861	14.5
316.05386	14.8
317.05615	0.8
343.11224	1.8
357.13336	5.0
358.09787	1.2
358.13702	14.8
391.18991	8.5
478.10599	0.9
502.22229	12.3
503.22742	1.4
520.11719	15.8
520.23267	100.0
521.11963	1.2
521.23541	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	520.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42331	0.5
55.01878	0.6
57.03438	0.9
59.01377	58.2
60.01715	1.5
61.98827	100.0
69.54623	2.7
71.01378	13.9
73.02949	13.8
73.03363	0.8
76.96465	0.4
83.01378	4.2
85.02948	4.6
87.00884	1.4
88.98816	0.9
89.02449	4.5
93.03465	1.9
97.02958	0.7
99.00864	0.7
101.02438	16.0
108.02192	1.0
109.02964	0.7
113.02444	6.4
117.66801	0.5
119.03498	2.6
119.05025	0.6
121.02992	2.1
121.24288	0.4
125.02472	0.7
131.03516	1.7
135.04517	0.9
137.02466	0.9
143.03522	2.0
149.04546	3.2
152.01198	0.6
153.01814	0.6
161.04567	6.0
191.05562	3.6
192.05997	0.8
203.05630	0.8
221.06628	1.2
237.97418	0.5
253.07887	0.5
256.20389	0.6
270.14413	0.6
291.69998	0.4
311.12991	0.5
327.16129	0.6
358.14127	1.0
359.27991	0.7
399.24097	0.7
400.24078	2.4
413.22037	0.7
418.25305	0.6
436.13034	0.5
460.26559	0.6
520.16144	0.9
520.24866	1.4
521.20667	1.0
521.33203	5.5
540.45032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53893	0.3
56.09007	0.3
59.01377	40.8
60.01696	0.6
61.98827	100.0
71.01379	3.2
71.03539	0.9
73.02938	0.9
81.00938	0.3
83.01395	0.4
85.02947	2.3
87.00864	0.8
89.02470	0.8
93.03458	0.6
101.02429	2.9
113.02470	1.3
119.03508	0.3
137.02425	0.6
149.04633	0.4
149.23470	0.4
161.04561	1.2
173.04630	0.5
191.05643	1.3
234.43036	0.4
283.13562	0.5
284.37146	0.4
311.13068	0.4
325.29263	0.3
338.59903	0.4
345.17044	0.4
358.13937	1.2
371.15591	0.7
371.20883	2.5
387.88733	0.3
390.11221	0.4
413.21838	3.7
492.57275	0.4
520.32611	0.4
521.14191	0.4
521.33417	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	520.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.2
59.01372	0.2
61.98829	100.0
69.45204	0.9
71.01385	0.3
73.50706	0.1
83.01403	0.2
85.02951	1.4
86.03307	0.2
87.00938	0.1
89.02462	0.2
105.80711	0.1
111.00887	0.2
111.63969	0.1
121.02978	0.3
123.04536	0.3
125.02442	0.1
129.01950	0.5
130.02246	0.1
137.04907	0.1
141.00130	0.2
145.37555	0.1
147.02968	0.2
149.02422	0.2
153.05640	0.2
173.00864	0.1
179.82961	0.1
183.10330	0.2
190.02771	0.2
191.02020	0.1
205.05154	0.1
224.06375	0.1
237.48845	0.1
243.02927	0.2
244.03311	0.3
252.12573	0.1
252.15204	0.1
271.02515	0.4
272.02905	0.5
286.04703	0.2
299.02017	0.4
300.02344	0.7
301.03107	0.2
314.04385	0.4
315.04797	1.1
316.05536	0.5
354.38983	0.1
367.10333	0.2
493.76254	0.1
520.11548	1.2
521.12244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89088	44.6
56.36190	51.8
57.05595	45.1
61.98813	100.0
62.07941	42.7
63.63848	51.8
71.54972	70.1
78.95930	48.6
82.60935	48.3
86.71460	52.5
106.68678	50.1
123.09679	51.8
142.13568	54.3
146.96535	48.3
152.99571	72.9
168.84401	47.0
210.96234	52.4
250.28186	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50684	0.3
53.99288	0.3
59.01378	100.0
60.01716	0.7
61.98833	1.8
69.24161	3.2
71.01379	3.7
73.02947	1.1
75.23090	0.4
83.01381	0.5
85.02966	1.9
87.04522	0.4
89.02455	1.3
95.01405	0.6
98.19875	0.8
99.00877	0.5
101.02435	2.1
113.02467	3.7
125.69733	0.3
127.77313	0.3
143.45157	0.3
161.04546	2.1
222.31322	0.4
255.19858	0.4
296.03207	0.3
298.55872	0.4
399.23843	18.2
400.24176	0.7
417.25009	4.0
418.25589	0.4
451.13748	0.3
459.26038	5.0
459.32227	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81998	1.0
52.86779	1.1
57.03439	3.5
59.01382	100.0
61.98819	4.5
71.01383	13.6
71.55510	1.5
72.99303	1.8
73.02934	6.7
83.01394	3.9
85.02958	16.7
87.00868	2.2
88.98803	3.2
89.02457	5.5
93.03451	2.9
95.01340	1.3
96.96003	3.7
99.00883	1.5
101.02448	10.2
109.02946	1.9
111.00861	1.7
113.02467	5.6
119.03482	3.2
119.04993	1.9
121.02961	2.3
123.04650	1.4
125.02456	2.7
129.01929	4.7
132.05785	2.3
134.03758	1.2
135.04483	1.5
137.02417	1.5
139.11307	2.7
141.01994	1.7
143.03520	1.5
147.03023	1.8
151.03996	1.6
152.01164	1.3
161.02390	1.4
161.04541	3.8
161.05801	1.2
163.04004	2.2
164.04817	1.5
167.03435	2.2
173.01006	2.1
173.04530	2.6
191.05585	4.6
193.04991	2.1
271.02469	1.5
271.19269	12.6
280.48694	1.2
299.05545	3.3
314.04309	2.0
315.05124	2.4
315.16000	9.3
357.26410	1.4
399.23828	8.7
410.00839	1.3
415.23245	6.6
417.25015	6.8
433.24384	20.8
434.24869	2.4
459.12799	1.8
459.25262	2.2
475.25458	58.2
476.25760	4.6
519.14636	6.0
519.31018	5.1
520.25378	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81998	1.0
52.86779	1.1
57.03439	3.5
59.01382	100.0
61.98819	4.5
71.01383	13.6
71.55510	1.5
72.99303	1.8
73.02934	6.7
83.01394	3.9
85.02958	16.7
87.00868	2.2
88.98803	3.2
89.02457	5.5
93.03451	2.9
95.01340	1.3
96.96003	3.7
99.00883	1.5
101.02448	10.2
109.02946	1.9
111.00861	1.7
113.02467	5.6
119.03482	3.2
119.04993	1.9
121.02961	2.3
123.04650	1.4
125.02456	2.7
129.01929	4.7
132.05785	2.3
134.03758	1.2
135.04483	1.5
137.02417	1.5
139.11307	2.7
141.01994	1.7
143.03520	1.5
147.03023	1.8
151.03996	1.6
152.01164	1.3
161.02390	1.4
161.04541	3.8
161.05801	1.2
163.04004	2.2
164.04817	1.5
167.03435	2.2
173.01006	2.1
173.04530	2.6
191.05585	4.6
193.04991	2.1
271.02469	1.5
271.19269	12.6
280.48694	1.2
299.05545	3.3
314.04309	2.0
315.05124	2.4
315.16000	9.3
357.26410	1.4
399.23828	8.7
410.00839	1.3
415.23245	6.6
417.25015	6.8
433.24384	20.8
434.24869	2.4
459.12799	1.8
459.25262	2.2
475.25458	58.2
476.25760	4.6
519.14636	6.0
519.31018	5.1
520.25378	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.8
59.01382	100.0
61.98827	2.0
69.56952	9.5
71.01009	3.1
71.01386	38.8
72.99260	1.8
73.02948	15.3
83.01395	4.7
85.02955	17.5
87.00851	2.7
87.04499	3.3
88.98791	2.8
89.02451	22.0
91.10609	1.4
95.01364	7.3
97.02949	2.6
99.00875	4.3
101.02446	21.5
103.26433	1.8
113.02457	36.8
114.39250	1.9
119.03467	8.1
125.02421	3.3
131.03528	2.2
143.03468	5.6
161.04561	11.2
179.05556	4.8
191.05608	3.5
230.16304	1.9
237.79411	1.7
252.79282	2.3
281.08078	2.5
297.07620	5.6
309.07974	8.0
309.11108	2.8
312.10046	6.5
324.09970	3.5
327.12454	15.9
339.12366	11.3
387.16397	6.3
415.23331	45.4
433.24582	8.9
479.14648	1.9
519.21417	1.9
519.28241	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	519.187
Annotation	(-)-Pinoresinol glucoside
Peak:m/z	Relative Intensity
52.34766	0.4
55.09870	0.3
57.03441	0.5
59.01372	3.7
66.47314	0.4
69.39138	2.5
71.01383	3.9
73.02950	1.1
83.01395	0.6
84.02206	0.4
85.02938	1.8
89.02444	1.3
93.03472	1.4
93.62952	0.3
95.01380	0.5
98.19933	0.6
99.00890	0.8
101.02425	2.2
108.02171	1.1
109.02975	0.6
113.02453	1.6
118.28365	0.4
119.03503	0.4
121.02950	4.3
122.03748	3.0
123.00893	0.8
123.04459	0.5
134.03766	0.7
136.01657	74.6
137.02332	2.1
143.03479	0.5
151.04002	100.0
152.04295	2.9
154.02679	0.6
159.04541	0.7
160.05296	1.2
161.02428	0.4
161.04553	1.9
162.03229	1.3
163.03995	0.9
175.03961	0.6
175.07643	1.4
177.05637	0.9
179.05615	0.6
189.05634	0.7
190.06284	0.5
256.07523	0.5
271.02438	0.6
299.01956	1.7
311.12762	0.8
314.04221	0.6
339.12094	0.4
342.11127	5.3
357.13409	97.9
358.13708	5.8
519.11267	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12687	0.2
52.19359	0.2
57.03404	0.3
58.10889	0.2
59.01321	13.6
59.01646	1.0
61.98782	0.5
62.74608	0.2
71.01387	2.4
71.53991	0.3
73.02888	0.7
83.01360	0.5
85.02956	1.9
86.00006	0.2
87.00869	1.3
89.02395	0.5
95.05189	0.2
97.02892	0.3
98.40799	0.3
99.00800	0.5
101.02427	1.3
108.02071	0.6
111.00811	0.4
113.02369	0.7
116.95456	0.2
119.04998	0.4
121.02858	0.2
123.04456	0.3
124.39034	0.2
125.02354	0.5
129.01830	0.6
139.60121	0.2
143.03577	0.2
144.32323	0.3
145.02954	5.9
146.03618	0.6
149.02313	0.2
161.02356	0.3
163.03949	0.6
173.01215	0.3
173.02409	2.9
174.03210	18.3
175.03595	0.4
178.02612	1.0
187.03941	0.6
206.02190	10.5
207.02483	0.3
213.05556	1.8
214.06235	0.5
227.07094	0.9
241.08479	0.4
243.06554	0.3
297.14969	1.6
299.01877	0.3
300.02612	0.5
308.39474	0.3
313.14200	0.4
314.03952	0.3
315.05353	1.1
315.15985	19.4
316.16193	0.9
357.13205	0.7
357.16989	3.2
399.17850	0.3
459.20206	8.9
460.20404	0.7
477.21262	51.4
478.21625	3.8
517.61011	0.3
519.22345	100.0
520.22656	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	519.1509
Annotation	LETHEDOSIDE B
Peak:m/z	Relative Intensity
50.07967	0.7
57.03442	1.5
59.01374	9.9
61.98821	2.8
65.00323	0.9
65.16431	0.8
69.60931	3.8
71.01368	4.0
72.83959	0.8
73.02924	2.3
85.02949	7.8
88.98810	1.0
89.02441	3.8
91.12747	0.7
93.03472	1.8
95.01411	1.0
95.05018	0.8
96.96027	1.1
98.20553	1.2
99.04456	0.7
101.02452	2.2
105.03429	1.0
105.07083	1.0
107.04984	0.8
108.02161	3.8
109.02952	8.9
110.00010	0.9
111.00905	1.7
113.02441	1.9
117.07079	1.6
119.03524	0.9
119.05021	2.0
121.02950	6.2
122.03754	1.7
123.00870	1.0
123.04523	4.1
124.01698	1.4
125.02425	2.2
129.01891	1.5
131.05098	0.9
133.02927	4.8
133.06573	1.3
134.03714	0.8
135.04555	3.5
136.01662	2.1
137.02428	5.8
139.00200	0.8
139.03979	1.1
140.65671	0.8
143.05028	4.2
145.02928	1.5
145.06602	2.7
146.03780	4.7
147.04497	1.3
148.05299	2.7
149.02444	2.2
149.06091	5.9
150.02794	1.2
151.03990	2.5
152.01205	0.8
155.05067	3.8
156.05843	0.8
158.03728	1.6
159.04509	36.2
160.05151	0.9
161.02461	9.2
161.06079	39.0
162.06453	1.3
163.07649	6.3
164.98236	2.5
165.01944	10.1
165.99049	3.3
167.03510	1.8
171.04504	5.4
172.05234	2.7
173.06067	29.5
174.03210	1.1
174.06288	0.8
175.03966	1.5
175.07622	9.7
176.04744	3.2
177.05566	38.6
178.05937	1.2
179.03481	2.1
179.05682	0.9
183.04555	1.0
187.03993	7.1
188.04700	1.3
189.05568	30.4
190.05937	0.9
191.05591	1.3
191.07129	12.9
193.05067	5.3
195.06570	0.8
199.03976	0.8
201.05574	2.4
205.05055	1.8
207.06673	3.6
215.03487	4.1
219.06558	4.5
227.03534	1.4
243.00729	0.8
243.02974	2.9
251.05597	1.2
255.00430	1.2
255.02951	6.3
263.07144	0.9
271.02472	16.2
272.03162	1.8
281.08005	3.7
282.05249	1.1
291.06564	0.9
298.66238	0.7
298.86258	0.7
299.01962	29.2
300.02673	11.6
301.03342	1.8
309.07690	28.9
310.08139	1.4
311.09195	1.4
313.03802	0.8
314.04337	15.9
315.05106	13.9
321.07748	7.6
323.07651	1.5
327.08746	10.0
328.09286	0.9
339.08777	15.1
339.12311	1.5
357.09775	100.0
358.10010	5.6
433.24454	0.9
504.08847	1.0
519.11633	12.8
519.15094	15.4
520.11584	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1506
Annotation	LETHEDOSIDE B
Peak:m/z	Relative Intensity
57.03439	1.3
59.01383	8.5
61.98824	3.9
63.84533	0.6
66.61823	0.8
67.01873	0.6
69.20892	0.6
70.37923	0.9
70.38290	2.0
71.01388	4.5
72.99335	0.8
73.02946	1.3
77.69461	0.6
81.03490	0.8
83.01394	1.4
85.02949	9.1
87.00928	0.7
89.02454	2.5
93.03456	2.4
97.02913	1.0
99.04547	0.7
101.02436	2.4
105.07111	1.0
108.02177	5.5
109.02966	8.0
110.00150	1.2
111.00922	1.3
113.02484	1.1
116.92857	1.1
117.07100	0.8
119.05048	1.7
121.02966	8.0
122.03771	1.7
123.04533	3.2
125.02406	1.6
129.01942	2.3
131.05023	1.3
133.02940	4.7
133.06592	1.5
134.03738	0.9
135.04541	2.8
136.01643	2.6
137.02486	4.4
143.05038	4.2
145.02968	1.6
145.06610	2.0
146.03761	6.5
147.04552	1.2
148.05344	1.9
149.02480	1.9
149.06102	7.6
151.00423	0.8
151.04042	2.8
155.05086	3.9
156.05814	1.2
158.03690	1.3
159.04529	36.2
160.04951	1.0
160.47748	0.7
161.02484	9.2
161.06094	39.6
162.06525	1.2
163.07674	6.7
164.98253	1.8
165.01947	10.4
165.99097	2.9
167.03493	1.1
171.04509	4.5
171.87534	0.7
172.05263	1.9
173.00885	0.8
173.06078	28.6
174.06387	0.8
175.04025	1.4
175.07661	9.8
176.04797	2.6
177.05574	39.2
178.05907	2.2
178.99973	1.3
179.03494	3.1
179.05534	0.7
183.04597	0.9
187.03966	6.2
188.04793	2.0
189.05579	30.3
190.06099	1.0
191.05650	1.2
191.07167	14.0
193.05084	5.7
201.05608	2.2
205.05234	0.7
207.06635	2.6
211.05887	0.8
215.03551	4.2
219.06572	4.9
219.34416	0.7
227.03482	2.4
243.02966	2.3
255.03085	6.2
271.02463	14.7
272.03079	2.5
281.08151	3.1
291.06616	1.1
297.07758	0.6
298.31589	0.7
299.01974	28.4
300.02661	13.6
309.07693	29.0
309.28400	0.7
310.07968	1.8
311.09283	2.7
314.04337	14.5
315.05115	17.5
321.07727	6.5
327.08685	10.2
328.09045	0.8
339.08719	16.6
339.12537	1.4
340.09091	1.4
357.09787	100.0
358.10126	5.0
384.01044	0.7
415.23184	0.8
421.16614	0.7
433.24481	0.8
519.14996	16.2
520.14990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76184	0.5
55.01876	2.4
57.03449	15.0
59.00909	0.6
59.01380	10.4
59.02481	0.5
60.79611	0.5
61.98838	4.3
65.00318	1.4
69.30551	1.1
69.30959	3.6
71.01382	6.3
72.99308	1.5
73.02950	1.9
79.66795	0.5
83.01382	5.0
84.02156	1.7
85.02953	100.0
86.03291	1.4
87.00867	1.4
89.02444	1.9
92.41894	0.5
93.03471	1.7
95.01406	0.7
96.96021	0.9
98.20602	0.9
101.02446	2.3
105.03436	0.6
107.81374	0.6
108.02171	1.7
109.02936	1.2
110.00093	1.5
111.00886	11.2
113.02430	1.9
119.05017	1.0
121.02960	28.3
123.04552	0.6
129.01950	37.4
131.01413	0.5
131.05049	1.2
133.02948	2.7
133.06589	3.4
135.04555	2.8
135.47844	0.6
136.98804	2.0
137.02451	1.7
145.02985	1.1
147.03003	6.3
147.04408	1.0
149.02431	11.7
151.04002	1.6
152.01134	1.5
153.01888	1.0
153.05624	1.2
157.02933	0.5
161.04701	0.8
161.06091	3.4
164.04787	6.7
164.98270	3.7
165.02060	0.6
165.99060	1.8
171.04504	0.5
173.00909	11.1
173.02379	0.6
173.04526	2.7
174.03249	1.1
175.00354	2.2
177.01970	1.5
177.05580	0.6
178.02754	0.6
179.03490	1.2
179.05675	1.0
179.07115	1.3
180.00674	1.0
181.01367	0.6
183.10358	0.8
189.05565	4.7
190.02760	3.1
191.01920	3.0
191.03526	5.7
197.04573	2.1
202.02687	0.7
205.05081	4.3
208.03810	1.7
215.03499	0.7
216.04311	1.1
217.01457	2.3
223.06117	13.4
227.03455	1.5
229.01497	1.2
233.04597	1.3
235.02519	5.1
243.03036	1.4
251.05568	6.0
255.03011	2.5
271.02539	2.2
271.06030	0.8
272.03214	0.8
277.07242	0.9
287.05618	0.7
291.08777	2.1
295.04645	2.3
299.02011	2.6
300.02744	30.9
301.03235	4.2
313.05872	1.0
314.04184	0.7
315.05096	33.1
316.05392	1.4
353.08920	2.7
355.06842	1.4
357.09576	0.9
357.13239	1.0
397.07480	0.8
415.23792	0.7
433.24594	0.8
437.62204	0.7
519.10651	4.1
519.24506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62514	0.8
53.89116	0.9
54.52934	1.0
55.01867	2.8
57.03447	13.8
59.01384	5.8
60.74381	0.8
61.98822	2.6
65.99406	0.8
70.82726	2.0
71.01398	5.0
72.99309	1.8
73.02942	1.2
83.01383	6.1
84.02147	1.8
85.02950	100.0
87.00870	1.5
93.03432	1.9
101.02417	2.1
109.02908	1.2
111.00885	17.8
121.02954	28.3
123.04459	1.2
125.02456	1.4
129.01944	55.5
133.02936	1.2
133.06595	0.9
135.04538	1.4
136.03918	0.9
141.54532	0.9
147.03008	7.1
147.04477	6.2
149.02454	6.8
153.05565	6.7
156.58142	0.9
161.06067	1.8
163.25497	0.9
164.04776	4.8
166.99706	1.0
167.03485	1.8
170.18877	1.0
173.00897	15.8
175.00238	1.1
177.01900	3.1
179.03499	1.6
189.05595	2.7
190.02681	3.4
191.01913	2.5
195.02917	3.2
197.04543	15.2
205.05101	2.5
209.56871	1.1
215.07132	1.6
221.04369	1.4
223.06174	7.2
251.05554	3.4
253.05878	0.9
255.02872	1.7
265.07114	2.4
271.02393	2.1
277.07147	3.7
291.08682	1.3
295.04657	3.4
299.02029	6.4
300.02698	2.9
313.05701	1.5
314.04306	2.9
315.05084	2.2
321.05963	1.1
327.07263	1.4
339.07166	1.2
341.09698	1.5
353.08914	3.1
371.06204	1.8
405.17279	1.1
437.87741	1.0
458.28424	1.0
498.71490	1.0
519.11487	8.5
548.21844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1144
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
54.67755	0.2
57.03442	0.9
59.01381	2.5
59.11949	0.2
61.98826	0.7
65.00314	1.5
67.86010	0.2
69.30582	1.0
69.31004	0.9
71.01391	2.0
73.02937	0.5
81.03417	0.2
83.01399	0.4
84.46094	0.2
85.02951	7.0
87.00890	0.3
88.98809	0.2
89.02432	1.4
92.99814	0.4
93.03469	0.5
94.22350	0.2
95.01434	0.3
99.00814	0.3
101.02443	1.2
105.03470	0.7
106.16357	0.2
108.02168	0.6
109.02974	0.4
109.21181	0.3
110.00095	5.0
111.00891	1.1
113.02467	0.8
117.03519	0.3
119.03494	0.4
119.05006	0.4
120.99360	0.2
121.02962	2.2
122.00079	0.3
122.03739	0.5
123.00953	0.3
123.04531	5.2
125.02439	0.4
129.01944	2.8
132.02242	0.3
133.02960	6.0
135.04532	0.2
136.01660	15.6
136.98773	1.1
137.02367	0.9
137.99568	1.0
139.00356	0.3
139.03893	0.3
143.04999	1.2
145.02968	1.3
147.02982	0.7
147.04552	1.1
149.02452	0.7
149.99574	0.7
151.04005	23.5
152.01056	0.3
153.05510	0.4
155.05023	1.1
159.04543	0.6
161.02405	0.4
161.04556	0.7
163.03958	0.3
164.98285	5.7
165.99080	10.9
166.99820	0.4
167.03464	0.8
171.04498	1.7
173.00893	1.0
173.02315	0.4
175.03969	0.9
175.07565	0.4
177.01950	0.3
177.99101	1.3
178.99898	1.6
179.05600	0.7
181.01381	0.8
182.03741	0.3
183.04485	1.9
185.02631	0.3
187.04018	1.0
189.05501	0.5
191.01958	0.5
193.05011	0.4
197.04587	0.7
198.03226	0.3
199.02446	0.3
199.04031	2.5
201.01968	0.8
203.03581	0.4
206.20168	0.2
211.04059	0.3
213.01849	0.3
215.03496	13.7
215.79976	0.3
216.03862	0.4
221.06679	0.6
223.06239	0.5
225.01929	0.6
226.02701	0.6
227.03481	4.6
228.03986	0.3
229.01468	1.1
231.02925	0.3
243.02953	7.6
244.03452	0.4
251.05583	0.5
253.01466	0.5
255.02977	13.5
256.03326	0.6
263.07761	0.3
270.01505	0.3
271.02469	42.8
272.03027	3.9
289.12177	0.2
299.01953	100.0
300.02637	20.3
301.03354	1.1
313.03293	0.5
313.07031	0.4
314.04312	54.1
315.05029	17.2
316.05344	0.6
327.07242	0.5
342.11069	0.8
357.06140	1.1
357.13412	21.8
358.13800	1.3
459.09293	0.4
477.10269	2.3
504.09091	3.1
519.11401	73.2
520.11743	5.6
524.97784	0.3
543.14130	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94532	1.6
55.01849	4.3
57.03452	15.8
59.01382	21.9
60.44545	1.5
61.98832	85.9
67.01875	1.5
69.26129	8.7
69.26550	4.1
71.01386	19.1
72.99278	6.0
73.02916	4.0
75.00838	5.1
83.01413	9.6
84.02146	2.1
85.02956	99.1
88.98812	8.9
89.02461	7.1
93.03428	2.6
95.01374	1.8
96.95995	1.7
97.02916	2.0
98.95532	1.6
99.00871	2.7
101.02404	6.4
108.02168	2.4
109.02914	2.8
111.00866	13.7
113.02427	6.9
115.92027	5.3
116.92873	17.6
121.02962	34.5
123.04504	3.5
125.02374	5.7
125.06072	1.8
129.01956	56.4
131.03487	2.5
133.02922	3.3
133.06526	5.0
134.03687	2.8
135.04517	8.9
136.01567	4.4
137.02359	4.7
145.02921	3.5
147.03000	14.1
147.04068	2.7
148.01648	1.8
149.02452	20.1
151.00406	7.2
151.03931	6.6
159.04431	1.8
161.02298	4.8
161.04527	2.0
161.05972	3.7
163.03955	2.6
164.04826	10.2
165.04059	7.7
167.03462	3.5
167.04742	1.7
173.00903	9.7
173.04453	3.4
177.05437	1.8
179.03400	6.0
179.05550	1.6
179.06946	2.0
181.05032	2.1
183.10271	11.5
189.05569	8.8
190.02615	5.5
191.02022	7.9
191.03494	2.6
191.05434	1.6
193.05009	3.4
199.03860	5.1
203.03479	1.8
205.05008	8.6
215.03377	2.7
223.06137	15.8
226.59309	1.8
227.03368	5.2
243.03008	23.3
251.05563	19.5
255.03006	22.4
257.04349	1.6
267.06519	2.5
270.01636	2.8
271.02496	73.4
272.02756	5.4
285.03790	5.6
291.08548	3.8
295.04440	3.7
299.01968	77.4
300.02744	96.7
301.03046	4.8
307.07965	1.9
309.07684	2.1
313.05420	3.8
314.04309	43.1
315.05112	100.0
316.05237	5.0
323.04999	1.8
341.10046	4.5
342.10770	2.7
353.09488	5.4
357.09448	6.9
357.13434	10.4
397.07281	1.9
399.15179	1.6
415.23096	3.5
459.09232	2.8
477.10242	2.6
519.11047	79.5
519.24255	3.6
520.11432	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	519.1143
Annotation	Isorhamnetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.01876	2.6
57.03447	10.8
59.01379	45.5
61.98824	4.4
67.01881	1.0
68.99816	1.0
71.01380	12.0
71.55560	0.7
72.99306	1.6
73.02941	2.8
74.40898	0.7
75.00903	1.1
83.01380	6.3
84.02135	1.5
85.02949	100.0
86.03285	1.4
87.00874	2.0
88.98807	1.5
89.02424	3.7
93.03459	3.1
96.96010	1.3
97.02952	1.0
99.00908	1.2
101.02436	7.0
103.00372	0.7
106.00664	0.7
109.02940	1.2
111.00874	11.4
113.02467	2.1
115.00391	0.9
119.03472	1.0
119.05016	1.5
121.02943	6.5
123.00900	1.0
123.04562	1.2
125.02435	2.2
127.04018	1.0
129.01942	20.6
130.65329	0.7
134.03772	1.7
135.04538	1.7
137.02417	2.1
138.03232	1.6
139.00375	2.0
139.04004	1.0
145.02966	1.9
147.03006	7.5
147.04507	11.5
147.05641	0.9
147.42995	0.7
149.02437	2.4
151.04005	0.9
153.05566	4.6
161.04538	1.6
161.05884	0.8
163.04037	2.0
163.06013	0.8
164.04794	2.0
165.58730	0.7
167.03503	1.0
173.00929	7.0
173.04535	4.5
173.05869	0.7
174.03282	1.0
175.03973	1.1
177.01894	1.7
179.03516	1.6
179.05753	0.8
182.02216	1.8
183.10303	0.7
191.01979	11.3
191.03716	1.1
191.05615	6.2
193.05052	1.7
196.03758	1.0
197.04553	11.3
201.11292	1.2
206.02229	0.9
214.44295	0.7
215.07137	1.8
222.05278	1.3
223.06131	3.5
237.07683	1.2
242.02110	1.6
265.07053	6.0
270.01666	3.8
271.02423	3.0
271.19217	1.8
277.07123	5.0
283.13385	2.9
285.04129	1.5
295.08218	1.7
298.01035	0.8
299.01926	5.7
300.02640	3.9
313.03561	2.8
313.16666	2.5
314.04282	5.4
315.05096	6.7
315.16028	2.1
321.06195	2.6
327.07239	2.1
327.12329	5.4
332.57291	0.8
339.07162	2.4
357.13419	1.1
371.05972	0.9
399.23846	3.1
417.24765	0.9
459.09412	8.6
459.21582	5.3
475.25259	3.2
477.10513	3.0
506.70541	0.8
519.10693	5.5
519.32056	0.9
520.27118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.1
61.98826	1.9
63.12960	0.8
65.94586	0.9
67.49036	1.0
70.95696	1.2
70.96027	1.6
71.01371	1.6
85.02950	1.8
89.02452	1.5
90.42290	0.8
93.03467	1.7
96.96023	2.3
99.00903	0.8
101.02480	0.9
121.02961	79.7
121.44027	0.8
122.03329	1.1
123.04498	1.1
125.02474	2.1
135.04530	0.9
160.22136	0.8
165.01936	100.0
166.02258	2.8
167.03441	1.0
173.04565	1.3
179.03477	0.9
182.71683	1.0
191.05643	9.0
192.19398	0.8
195.06680	2.2
209.04640	1.7
209.57304	0.9
245.37831	1.0
251.05540	1.9
271.62399	0.8
281.06702	0.9
353.08707	2.7
353.32510	0.9
481.80963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1142
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.82517	0.4
57.03445	0.5
57.33646	0.4
57.98349	0.4
58.00555	0.4
59.01377	15.2
60.01713	0.4
61.98835	0.7
62.92223	0.4
63.02372	0.6
65.00305	0.9
67.91207	0.4
69.84847	1.5
71.01381	6.1
73.02939	1.3
83.01391	1.2
85.02954	1.7
87.00867	0.5
88.98807	0.8
89.02440	5.4
95.01370	0.6
101.02435	4.0
101.03946	0.7
107.01390	1.8
108.02151	0.6
109.02920	0.5
113.02451	3.1
117.03474	0.7
119.03479	1.6
119.05047	0.9
121.02930	1.5
122.03751	0.9
124.01627	0.7
136.01669	12.0
137.02429	0.9
139.05443	0.5
143.05034	0.5
145.02948	1.2
147.00829	0.5
149.06064	0.5
151.00366	7.1
151.04004	15.0
153.01955	0.7
155.05066	1.3
157.02917	0.6
157.26682	0.4
159.04530	1.2
161.02510	0.6
161.04549	1.7
161.05894	0.5
162.03149	0.5
163.04004	1.3
169.02933	0.8
169.21400	0.4
171.04518	1.3
175.04001	0.9
177.05566	0.5
178.99863	0.5
179.03444	0.7
179.05576	1.1
181.05089	0.6
183.04523	3.3
185.02426	0.6
187.04005	1.4
191.05559	0.7
198.03223	0.5
199.04002	10.0
201.01921	0.9
203.03494	1.2
210.03090	0.4
211.04005	0.9
215.03516	4.2
226.02693	0.7
227.03459	7.6
228.03889	0.7
242.02159	3.2
243.02971	28.8
244.03368	1.6
254.02136	0.5
255.02966	18.0
256.03235	0.9
257.04507	2.3
259.06161	0.6
270.01724	2.9
271.02463	46.1
272.03003	3.7
281.08112	0.5
285.03973	5.4
286.04794	1.2
287.05554	1.6
299.01947	100.0
300.02637	22.6
301.03250	0.9
309.07693	3.1
313.03586	1.4
313.11337	0.5
314.04303	87.7
315.05069	53.7
316.05496	1.9
324.09885	1.1
327.04947	0.5
339.12180	3.0
342.11014	2.9
357.06320	0.9
357.13419	19.9
358.13980	0.7
415.23376	4.4
433.24481	1.5
447.09393	0.6
459.09366	0.7
477.10306	8.1
478.10818	0.6
519.11414	91.8
520.11780	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	519.1143
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.97285	0.2
53.35451	0.2
57.01875	0.2
57.99768	0.2
59.01381	4.8
59.93918	0.2
65.00330	1.8
68.99829	0.3
71.01388	0.4
80.99813	0.2
84.66115	0.2
85.02956	0.6
89.02451	0.2
93.03503	0.3
95.01408	0.5
96.99321	0.4
98.98955	0.2
101.02528	0.2
108.02185	0.2
108.99282	0.4
110.00098	7.5
111.00906	0.6
116.37064	0.2
123.00887	0.6
123.04557	1.0
124.98817	0.2
125.99594	0.2
128.21095	0.2
128.36438	0.2
133.02962	2.4
136.98810	2.7
137.09724	0.7
137.99596	5.3
139.00368	5.2
139.01434	0.3
141.98956	0.2
145.02919	0.2
149.99556	0.5
151.00352	0.5
151.04024	0.3
152.01071	0.2
155.05006	0.5
155.10739	1.5
159.04514	0.3
163.00351	0.2
164.98305	6.1
165.99078	18.9
166.99861	6.4
171.04530	0.6
173.00975	0.3
173.02464	0.6
175.03969	0.3
177.01817	0.2
177.99147	1.0
178.99883	0.6
183.04527	2.4
188.04799	0.3
192.00621	0.5
193.01454	0.4
193.98553	1.6
199.03990	1.8
199.09709	1.0
200.04710	0.4
201.01958	0.3
203.03488	0.3
205.98560	0.4
206.99278	0.4
211.03978	0.5
215.03540	1.5
216.04262	0.8
226.02679	0.5
227.03505	2.7
228.00713	0.3
228.04227	1.8
229.01450	0.6
241.10762	0.4
242.02115	0.5
243.02933	1.8
254.02206	0.6
255.02942	3.2
256.03714	0.8
257.04623	0.4
269.04471	0.3
270.01697	1.1
271.02466	4.9
283.02570	0.4
283.06168	0.4
284.03363	0.2
285.03967	0.4
296.03305	0.2
298.04572	0.2
299.01981	16.8
299.05145	0.6
300.02744	35.2
301.03113	1.9
303.34567	0.2
311.05682	0.2
313.03546	0.6
313.07043	0.2
313.99005	0.3
314.04324	22.1
315.05093	100.0
316.05457	5.5
323.47546	0.2
326.04303	0.3
327.04956	1.2
364.07242	0.2
390.93188	0.2
444.06860	0.3
459.09149	1.9
477.10480	0.4
519.11438	65.6
520.11737	5.4
531.30975	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73239	0.2
59.01367	0.2
61.98832	0.4
62.96418	0.3
64.94273	0.2
67.70384	0.2
69.87270	1.0
78.95903	44.9
82.58473	0.2
96.96959	6.6
150.98009	1.7
152.99582	100.0
153.99908	0.9
155.18321	0.2
170.99245	0.3
171.00645	4.1
240.02631	0.3
277.21594	0.9
282.02542	0.2
431.22006	24.6
432.22446	1.9
518.25220	5.9
519.26471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32911	0.4
59.01350	0.5
61.98819	1.1
64.90968	0.4
71.54057	0.4
78.95905	44.5
96.96964	6.5
109.68691	0.3
138.73085	0.3
140.45728	0.3
150.98047	2.0
151.39183	0.3
152.99585	100.0
153.72867	0.4
153.99918	0.9
171.00681	3.8
192.87776	0.4
238.86523	0.3
264.39651	0.4
277.21707	0.7
431.22018	23.1
432.22385	1.8
518.25250	5.5
519.26270	0.9
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
59.01361	0.6
61.98828	100.0
62.26674	0.2
70.65717	0.3
70.66055	0.6
70.69722	0.2
71.90755	0.2
95.45991	0.2
97.08845	0.2
100.11420	0.2
137.02473	0.3
179.38966	0.3
201.29242	0.2
257.12387	0.3
378.47882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98835	8.0
69.93120	4.8
81.69257	1.2
117.01410	1.0
121.02995	1.5
150.50862	1.3
166.14093	1.3
183.59602	1.2
261.42883	1.2
261.57761	1.2
359.15143	2.1
401.08859	1.9
498.51379	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03429	0.6
58.00567	0.5
59.01378	2.7
63.75298	0.4
65.03956	1.0
66.26351	0.4
66.98429	0.4
67.01878	1.5
68.99790	0.4
69.03435	2.1
69.03777	0.5
71.01369	3.1
71.05008	1.8
72.99290	0.5
73.02962	2.3
78.97206	0.5
79.05531	0.6
81.03442	2.2
81.03931	0.4
82.18201	0.4
83.01387	2.6
83.05009	2.2
84.02170	0.9
84.39947	0.5
85.02934	1.3
86.86947	0.5
87.69687	0.4
89.02435	1.0
93.03462	2.7
95.01371	1.1
95.05027	1.9
97.02945	1.8
97.06588	1.1
99.00875	3.5
99.04499	5.3
101.02431	2.0
106.04261	0.6
107.05026	1.7
108.02142	1.0
109.02950	3.1
109.06608	0.8
110.03711	0.8
111.00858	1.4
111.04523	1.0
113.02435	1.2
114.05609	23.6
119.05037	2.9
121.02939	2.9
121.06567	1.3
122.03696	1.1
123.00853	2.1
123.04533	3.3
124.01675	1.4
124.07598	0.6
125.02435	1.8
125.06055	1.6
126.05602	3.8
127.04035	4.3
133.06628	0.7
135.04485	2.8
136.01657	3.0
137.02402	1.7
137.06024	1.1
138.03241	1.6
139.03986	0.7
147.04495	1.2
148.05246	0.8
149.02431	2.3
149.06129	0.7
150.03214	2.7
151.04024	4.6
153.05585	0.9
158.03755	0.6
159.04547	0.6
160.07954	0.5
161.02431	1.7
161.06110	1.0
161.78499	0.4
163.04012	2.2
164.04782	1.1
165.05498	1.5
166.02545	0.5
173.06039	1.3
175.03993	1.1
175.07631	1.0
176.04730	0.9
177.05540	1.9
179.07065	0.7
185.06114	0.5
188.08418	1.3
189.05542	1.3
190.06316	1.4
191.05565	1.2
191.07121	0.9
193.08638	1.0
199.07494	0.7
201.05557	0.7
203.07130	1.1
206.08197	1.4
207.06662	0.7
207.08949	1.8
215.07127	0.8
217.08704	0.6
219.10248	0.7
257.11771	1.5
273.11313	0.8
287.12811	2.1
301.10709	1.5
303.12354	0.9
305.13751	0.7
307.11740	0.9
331.11896	10.2
331.15436	1.0
332.12347	0.8
345.13199	0.9
349.12833	0.6
357.13303	3.3
361.13132	0.7
363.14441	1.0
373.12936	5.9
375.14352	1.0
385.12735	2.4
391.13971	30.3
392.14276	2.1
399.14526	2.9
403.13956	9.9
404.14243	0.6
417.15500	23.8
418.15891	1.3
430.16257	3.7
438.18820	0.6
456.19983	2.8
462.15237	0.8
474.21274	2.2
487.16183	0.7
500.19467	2.8
518.20264	100.0
519.20551	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	517.2096
Annotation	Khayalactol
Peak:m/z	Relative Intensity
55.25370	0.2
58.99586	0.7
59.01379	20.5
61.98819	0.6
67.01891	0.6
69.19487	1.8
69.19910	1.0
71.01382	4.1
72.99293	0.6
73.02943	4.8
75.00888	0.3
83.01385	1.0
85.02931	1.0
87.00866	1.7
89.02454	1.7
93.03461	3.1
95.01397	0.5
98.20720	0.5
99.00859	0.5
101.02431	4.0
102.98589	0.4
111.04519	0.5
113.02424	1.1
117.03526	0.5
119.03514	0.4
121.02946	1.1
121.03795	0.3
145.02957	3.4
146.03723	0.5
155.03494	0.4
161.02432	0.3
173.02437	1.4
173.04541	7.2
173.06023	0.5
174.03214	16.1
175.03551	0.4
183.08113	0.3
187.03877	0.5
206.02173	8.4
213.05518	1.6
214.06238	0.6
227.07169	1.7
228.07846	0.7
281.19360	2.4
283.17349	6.0
295.13382	5.9
297.14944	30.2
298.15417	1.6
313.14447	6.4
314.14792	0.4
343.08221	0.6
343.19571	2.9
355.15393	0.5
369.20914	1.1
388.32129	0.3
395.19788	0.3
401.08426	0.4
413.19870	2.2
431.21140	2.4
457.18719	4.7
458.19312	0.7
473.22092	6.9
474.22250	0.4
475.19730	19.4
476.20071	1.8
517.20746	100.0
518.21082	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	517.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.02464	0.7
61.98835	0.8
66.82629	0.6
71.10069	1.0
79.52261	0.7
121.02963	1.0
121.20904	0.8
151.04074	1.7
189.05522	0.9
371.14948	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	517.244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85103	0.5
58.41403	0.5
59.01379	100.0
61.98832	3.0
70.84357	0.5
71.24194	0.8
72.84995	0.5
83.05019	1.3
87.28195	0.5
93.03474	0.9
121.02973	1.3
123.00916	0.9
136.01698	1.3
137.02464	0.7
138.03229	0.7
147.04489	0.7
148.05334	1.1
151.04080	1.9
161.02390	0.6
162.03178	0.6
166.13666	0.5
175.07674	0.7
176.04807	1.6
177.05637	1.2
178.06340	7.5
179.03571	0.5
183.82396	0.6
190.81700	0.4
191.05617	0.9
191.07074	3.4
193.08688	18.0
194.09013	0.5
217.35495	0.5
221.08168	5.3
223.09825	0.8
232.44710	0.5
253.65485	0.4
359.14783	3.1
457.22336	10.8
458.22668	1.0
461.33823	0.5
517.15582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38948	1.1
55.01857	1.4
57.03439	1.8
58.00589	3.0
59.01379	70.7
61.98815	2.2
69.03467	7.4
69.31835	5.5
69.32262	5.4
71.01382	73.1
72.99322	2.0
73.02953	10.4
75.00867	3.3
76.87448	1.1
79.01897	1.7
81.03464	3.1
83.01400	4.2
84.10061	1.1
85.02952	9.1
89.02445	90.7
94.88884	1.4
95.01391	3.0
96.95989	2.2
97.02980	10.9
98.20620	1.8
99.00879	17.5
99.04580	1.8
101.02452	17.7
107.01363	1.3
111.00874	1.7
113.02448	8.4
115.04009	9.4
119.03523	1.7
125.02449	49.8
127.03989	1.6
131.03497	8.8
135.04504	4.2
143.03487	5.6
145.02931	2.0
148.05305	39.3
149.04556	14.8
161.04555	2.1
163.07629	13.3
179.03476	4.7
191.05624	10.5
212.19170	1.2
233.06657	39.1
253.84302	1.2
293.08771	100.0
294.09122	3.3
457.17191	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	517.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.4
55.81733	3.4
57.03455	3.7
57.47240	2.8
58.00601	2.7
59.01379	100.0
61.98827	25.6
69.03465	4.6
69.37942	12.2
69.38370	8.2
71.01385	57.9
72.99321	3.6
73.02947	11.9
75.00868	3.7
81.03452	3.1
83.01387	7.5
84.41592	2.7
85.02951	28.5
87.00890	5.1
88.98804	11.0
89.02443	61.0
93.03461	7.1
96.96008	12.2
97.02937	6.5
98.95578	4.4
99.00890	8.1
99.92584	11.1
101.02446	22.9
108.02174	3.0
109.02960	2.9
111.00875	6.8
111.04542	3.0
113.02444	14.1
115.03999	3.8
115.21902	2.3
115.92084	17.1
116.92861	86.3
119.03479	9.9
119.05027	14.9
121.02950	9.0
121.82298	3.6
123.00901	3.1
123.03741	3.1
123.04514	13.7
125.02450	27.5
129.01961	4.9
131.03506	8.0
132.02243	3.2
134.03734	8.5
135.04503	10.0
137.02437	5.5
137.06093	3.1
143.03516	4.7
145.02960	6.1
147.04530	3.4
148.05302	17.1
149.02446	10.1
149.04564	9.1
149.05983	2.6
153.05573	4.5
155.03500	8.2
155.10812	2.8
160.01654	4.4
161.02368	3.7
161.04486	5.8
162.05637	15.1
163.04024	17.9
163.05989	8.0
163.07599	6.5
164.04796	13.3
165.04030	12.3
165.05385	3.5
165.67429	2.7
167.03503	21.5
173.04559	17.1
175.04063	6.0
179.03528	7.8
179.05621	3.2
179.07047	3.2
181.01349	3.6
183.17734	3.1
184.79179	2.7
186.71082	2.7
191.05608	8.2
193.05075	12.8
197.04520	8.9
204.91591	3.7
209.04546	10.7
223.06119	12.0
223.13487	2.8
233.06609	14.5
239.05499	16.9
251.82190	2.6
275.59805	2.6
283.06201	4.5
293.08817	34.3
312.12411	10.6
313.12790	27.5
323.07797	9.7
323.21664	2.7
349.09448	5.3
353.08823	2.6
371.09955	5.2
385.18613	8.1
398.12357	8.2
413.08762	10.8
517.11090	12.5
517.22681	20.5
518.20551	5.0
527.10986	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
58.00606	0.8
59.01382	100.0
60.20543	0.3
61.98839	3.1
69.03452	0.8
69.44887	1.9
69.69392	0.3
71.01384	17.6
72.99307	0.7
73.02951	11.8
83.01384	5.0
85.02957	5.9
87.00883	1.5
87.04530	0.6
89.02450	13.0
91.05531	0.7
93.03465	1.4
95.01409	1.4
99.00908	1.1
101.02450	16.0
101.06098	0.4
103.31491	0.4
107.05035	0.7
111.00889	0.7
113.02455	9.1
116.92883	0.9
117.03487	1.3
119.03517	5.2
119.05025	1.4
121.02960	5.7
125.02406	0.6
129.01997	0.5
131.03519	2.8
132.02168	1.6
133.02960	3.5
134.03773	3.2
135.04535	23.5
136.04866	0.7
137.02437	0.5
140.98329	3.0
143.03531	2.9
147.04524	3.9
149.02451	44.6
149.04437	9.9
150.02747	1.6
151.04015	0.5
152.01241	0.5
152.98352	0.4
160.01689	1.4
161.02467	8.2
161.04543	5.9
161.05943	0.6
163.04002	1.3
163.08873	0.4
164.04802	41.3
165.03967	0.7
165.05191	1.1
167.03519	0.6
170.99367	1.1
173.04556	1.3
175.03993	1.7
179.03506	19.2
179.05606	4.8
179.07162	3.1
180.03824	0.7
185.11801	0.4
191.05624	6.1
191.07202	0.3
193.01450	0.5
193.05060	1.8
203.05611	0.8
208.03773	1.0
221.06691	1.3
223.06114	80.9
224.06487	2.6
251.13031	0.4
257.98532	0.4
269.17422	0.4
270.01709	0.6
293.06693	5.6
311.07788	2.9
343.08212	1.4
355.10339	18.5
356.10580	1.1
371.09912	0.5
379.21259	0.7
397.22369	2.0
415.23312	0.6
457.24387	0.7
473.24142	0.8
517.29980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.9
61.98831	2.6
69.41661	0.4
71.01379	3.7
71.54902	0.8
73.02962	1.8
83.01392	1.1
85.02959	2.4
87.00886	0.5
87.04481	0.6
89.02456	2.8
91.05565	0.6
93.03477	1.3
95.01395	0.4
96.96033	1.9
98.02683	0.4
98.95605	1.1
99.00909	0.4
99.92590	2.9
101.02452	2.6
111.00904	0.5
111.04516	0.6
113.02482	2.1
115.92075	6.4
116.05080	1.0
116.92867	25.5
117.03495	1.0
117.92846	0.6
119.03479	0.5
119.05035	1.1
121.02974	6.3
123.04527	1.3
125.02473	1.3
127.88871	0.4
129.01888	0.5
131.03502	1.4
132.02220	1.2
133.02972	3.8
134.03755	3.8
135.04532	27.1
136.04843	0.9
137.02451	1.1
139.11278	0.7
145.02951	0.6
147.04521	4.0
149.02452	56.0
149.04456	13.5
150.02815	1.3
155.03566	0.5
155.10764	0.8
160.01689	0.6
161.02463	8.3
161.04570	0.8
163.03995	1.4
164.04799	47.3
165.05159	1.3
167.03484	2.9
173.04559	1.3
175.04033	0.6
179.03503	23.5
179.07033	4.0
180.03912	0.8
191.05620	4.4
191.43869	0.5
193.01428	0.6
193.05043	1.9
193.06599	0.7
201.11285	1.5
205.05171	0.4
208.03783	1.7
209.04581	3.0
223.06119	100.0
224.06511	4.1
239.05565	1.2
265.07190	0.5
269.14047	0.4
293.06570	2.5
311.07730	3.5
323.07635	0.6
337.09250	1.4
340.92279	0.4
343.08163	1.4
350.10428	0.9
355.10324	19.3
356.10812	1.1
358.48523	0.4
362.10428	0.9
380.11356	1.8
398.12457	5.0
413.09302	0.7
413.20331	0.5
428.13489	1.8
431.10468	0.5
439.88455	0.4
457.24472	0.6
473.10837	1.0
473.22781	0.8
517.09985	5.7
517.22089	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	517.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13752	0.3
59.01123	1.2
59.01457	7.4
61.98566	0.5
61.98908	3.4
63.02489	1.1
65.00108	0.4
65.00410	0.8
73.03039	2.0
83.01495	1.6
85.03046	0.7
87.04581	0.5
89.02541	0.4
93.03536	0.4
98.20687	0.8
101.02539	1.1
105.03553	0.4
106.06738	1.5
107.01379	2.6
108.08198	2.6
109.03059	0.7
113.02573	0.8
119.05086	0.4
121.03036	0.7
125.02536	0.4
133.02957	4.8
134.03857	1.5
137.02507	0.6
148.01732	0.6
148.04047	6.8
149.02539	1.4
149.04543	0.4
151.00352	5.6
152.07271	1.2
160.04030	3.9
160.05170	0.4
161.04805	5.0
162.05656	0.8
166.08809	0.5
175.04008	1.8
177.01990	0.5
183.04558	0.4
185.06255	0.5
187.04039	0.7
188.04866	0.4
191.03516	0.4
192.03078	0.8
193.03783	2.1
199.03931	2.1
200.04785	0.5
201.02005	0.6
206.06985	0.3
211.04066	1.4
212.04771	0.4
217.05109	1.5
227.03496	3.0
228.04381	0.9
235.17169	0.5
239.03613	0.4
240.10347	0.5
241.04922	0.6
242.11972	0.5
243.03090	0.7
247.78891	0.4
255.02995	1.3
256.03745	5.1
267.02847	0.4
267.11276	1.1
269.12936	13.8
270.13480	0.4
283.02536	1.0
284.03247	85.7
285.04007	100.0
286.04416	4.5
295.10858	12.5
296.11243	0.8
301.15518	0.4
313.11902	10.4
314.12143	0.6
327.04962	1.0
355.12817	1.4
440.06586	0.4
449.49725	0.4
457.15994	0.7
475.16986	1.0
517.12952	99.2
518.13416	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	517.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	63.0
60.01716	0.5
61.98830	1.8
69.74416	2.1
90.97129	1.2
98.20569	0.5
114.98867	0.7
118.96619	0.6
126.27295	0.4
132.98201	1.7
156.99902	1.0
157.03571	0.9
159.01541	0.6
174.99242	27.3
201.02551	9.3
217.00285	100.0
218.00621	1.8
231.01895	0.4
270.99820	0.5
299.01031	0.5
314.98715	1.0
343.03613	0.7
359.01465	16.1
360.01691	0.8
371.96646	0.4
374.99194	62.3
375.99463	1.9
485.68573	0.5
516.95398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1196
Annotation	Siphonodictyal B3
Peak:m/z	Relative Intensity
59.01399	0.5
65.00304	0.9
68.99843	0.6
69.49049	1.0
69.49466	1.8
89.01767	0.3
95.01382	0.6
96.02134	0.5
96.96026	0.5
106.43932	0.4
107.01402	0.7
109.02947	0.4
110.00068	0.5
111.00874	1.6
123.00851	2.5
124.01656	7.0
125.02478	1.9
137.02457	0.6
139.00377	1.8
141.01868	0.5
151.00343	5.0
151.04002	0.6
152.01143	55.2
153.01657	1.4
160.21567	0.4
161.02441	0.9
163.00337	2.2
165.01950	0.7
178.99849	15.1
179.03461	0.4
180.00587	1.7
191.05560	1.1
193.01425	1.8
193.55643	0.5
199.79324	0.4
205.01367	0.5
207.02989	1.3
208.00111	48.3
209.00830	5.2
223.02446	1.1
276.93454	0.4
408.55725	0.5
443.12006	0.7
471.11063	0.7
517.11938	100.0
518.12280	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	517.1197
Annotation	Siphonodictyal B3
Peak:m/z	Relative Intensity
50.71987	0.5
59.01372	1.5
59.55641	0.5
61.98823	0.9
69.03477	0.6
71.01380	0.9
71.20004	0.7
71.20366	0.8
75.00861	0.6
81.64971	0.4
83.01401	2.7
85.02956	1.7
88.02985	0.5
88.98801	2.1
89.02405	0.5
93.03463	2.4
95.01395	2.0
96.96001	3.1
96.96944	1.1
97.02947	0.7
99.00270	1.0
99.00881	14.7
104.98940	0.5
107.05022	1.3
109.02929	1.8
111.00868	0.9
111.04494	0.9
113.02428	1.3
119.05035	0.8
121.02950	1.2
123.00864	0.5
123.04502	1.9
125.02412	2.0
133.06631	0.6
134.03685	0.7
135.04529	3.9
136.04826	0.7
137.02443	3.8
137.06044	0.6
139.00354	1.8
139.04037	1.7
141.01968	0.8
147.04529	0.7
149.02417	0.9
149.06041	1.3
150.03186	0.5
151.00316	0.7
151.04002	2.8
155.03493	4.3
161.02493	1.4
163.04028	1.8
164.04739	0.8
165.01952	2.9
165.05618	0.6
167.03519	2.6
177.01921	1.3
177.05557	1.9
179.03485	7.2
180.03821	1.2
181.01334	0.7
181.24927	0.5
188.62903	0.5
189.04030	0.6
189.05591	0.9
191.03497	1.7
191.05606	4.0
192.04350	0.7
192.05896	0.9
193.01414	0.9
193.04875	3.2
195.02951	1.5
197.04643	2.6
205.01361	1.2
205.05055	2.1
206.02106	1.2
207.02946	6.8
208.03552	0.5
209.04494	1.4
217.05037	1.2
217.86919	0.5
218.29312	0.5
219.02969	3.3
220.03580	1.2
221.04523	6.6
223.02417	3.1
223.06035	0.7
232.03766	0.6
233.04604	2.7
235.02371	1.4
235.05984	1.1
236.03204	0.7
237.04010	1.5
245.04387	0.7
249.04039	17.7
251.05598	2.2
253.03435	0.6
261.04034	2.4
263.05542	1.3
264.02722	0.6
265.03510	5.3
275.05481	0.7
277.03394	1.5
278.04297	0.9
279.05069	10.7
287.07687	0.6
289.03531	1.6
291.05164	1.3
293.06702	1.1
295.04553	1.8
299.68646	0.6
307.04568	12.0
319.04617	1.7
337.05585	9.4
338.06036	0.6
355.06613	1.7
367.06406	0.7
369.08105	1.7
379.06232	0.6
397.07712	19.1
398.07645	0.9
409.07706	0.6
427.08752	7.4
497.80695	0.6
499.10968	0.8
517.11932	100.0
518.12268	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	515.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	60.3
61.98819	15.0
71.54719	5.7
75.00872	100.0
103.00368	96.7
103.04023	7.7
113.17261	3.2
141.97874	3.1
142.99361	3.7
148.29640	3.3
202.06403	3.6
228.00127	3.4
235.09691	6.2
358.87277	3.4
411.18176	6.1
500.20850	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	0.3
69.21493	1.7
106.04269	0.8
107.05013	0.6
121.02946	0.3
145.20604	0.2
148.98584	0.2
149.09689	0.2
163.11285	29.7
164.11624	1.0
175.11232	1.5
176.12042	0.9
177.09212	0.5
177.12846	3.7
179.16373	0.2
190.10014	1.0
201.12788	0.3
207.10251	0.5
208.11044	3.3
230.09258	0.2
254.80008	0.2
262.52707	0.2
267.13852	0.5
281.15408	1.7
282.16254	3.8
283.17020	5.8
283.20013	0.4
284.17221	0.2
293.15506	1.4
294.16010	0.5
295.16995	0.5
297.14914	0.2
309.18723	0.2
321.18692	0.3
324.21033	0.2
336.20966	0.2
337.21674	0.2
339.23257	100.0
340.23599	7.1
349.21631	0.5
351.23297	5.9
352.23587	0.3
434.03668	0.2
510.87598	0.2
515.35284	82.5
516.35638	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	516.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.3
61.98830	100.0
71.01393	1.2
71.55223	0.6
71.55598	0.6
74.98983	0.5
83.01390	0.7
85.02961	1.2
87.00894	0.7
101.02477	0.9
117.03470	0.7
121.02955	56.2
122.03306	1.7
123.28989	0.6
143.63109	0.6
147.20915	0.6
176.39082	0.7
210.85606	0.6
257.53772	0.6
293.04620	1.9
294.05002	4.2
414.09241	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
59.01381	13.3
60.99292	1.3
61.98831	10.0
65.03983	0.9
67.01883	4.9
69.03458	1.7
71.01388	7.6
73.02954	1.7
74.07896	0.9
76.93315	0.9
81.03454	1.2
83.01376	1.4
83.05035	1.9
85.02953	12.4
87.00884	6.7
89.02444	1.6
93.03463	41.2
99.04469	0.9
101.02455	2.3
105.03466	1.7
109.02930	2.2
111.00846	1.2
111.04498	4.8
113.02455	1.9
119.03542	1.0
127.03989	1.4
129.01917	2.9
133.02979	9.3
134.03745	3.8
135.04520	7.4
137.02446	3.9
149.78616	1.1
151.04028	1.1
155.03487	1.3
160.01637	3.3
161.02446	6.2
163.07651	1.1
173.04547	45.0
177.01996	4.5
178.02693	3.7
179.03485	3.1
191.05612	100.0
192.05943	1.8
193.05173	2.0
199.09631	1.0
215.05585	1.1
240.54153	1.1
255.17624	1.2
323.09241	8.4
326.76086	1.0
341.10272	2.3
351.07129	4.4
515.15564	12.5
515.28461	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17015	0.6
51.35852	0.7
57.03447	1.3
59.01379	100.0
61.98836	2.5
65.29122	0.7
69.03476	0.8
71.01381	7.5
71.05019	0.8
72.92857	0.6
73.02944	11.6
73.79328	0.7
76.30250	0.7
82.96103	0.7
83.01395	2.4
85.02952	2.0
87.00906	2.2
88.98802	0.8
89.02471	2.7
96.96018	1.6
97.06605	1.2
99.00875	0.9
101.02436	9.1
104.01955	0.7
107.05025	3.5
111.00910	0.8
111.04507	0.8
113.02400	3.9
118.28107	0.6
119.03543	0.8
119.05050	1.1
120.05876	1.2
123.04576	1.0
131.03496	0.7
135.04549	2.2
136.01688	1.1
148.04922	0.8
149.04605	1.3
151.04013	0.9
161.04568	3.0
161.09705	6.4
161.13370	3.2
179.03461	1.2
179.05583	1.1
186.00363	0.7
187.11302	8.5
189.09190	5.1
191.05603	1.5
196.81923	0.7
205.12384	4.0
207.10287	1.0
221.06648	2.1
223.13377	30.1
233.15533	2.0
249.11293	4.6
267.12354	30.6
268.12799	0.9
282.50211	0.6
308.39395	0.7
385.20563	0.7
399.24594	0.8
428.33130	0.7
429.17673	1.0
455.22620	0.8
471.18527	6.1
497.17761	0.8
515.19690	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	515.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.4
59.01379	7.0
61.98836	2.5
71.01374	1.2
71.55528	0.5
73.02940	0.6
85.02944	2.1
87.00838	0.4
88.98788	1.7
89.02417	0.8
93.03431	0.8
96.96004	0.4
101.02431	0.8
101.06082	17.2
102.98604	0.4
103.01855	0.5
103.04001	0.4
104.95038	0.3
109.02953	0.4
117.03462	6.4
123.04504	0.5
129.02017	0.4
131.01378	3.9
134.03790	0.4
137.02444	0.7
149.02522	0.4
149.04512	0.7
161.02295	0.4
163.04007	0.6
173.02406	3.6
173.04578	0.5
174.98825	0.8
175.00359	13.9
176.00784	0.5
179.03398	0.5
191.05544	1.6
193.06491	0.6
207.13889	0.8
209.06075	0.3
221.06154	0.6
237.05548	0.7
264.04202	0.5
265.05029	1.6
269.04562	0.7
281.04504	1.0
282.05157	0.5
289.07239	0.4
293.04550	100.0
294.04892	5.4
295.06213	0.4
323.05579	0.8
335.05582	1.8
367.11676	1.6
395.11279	3.8
413.08749	26.7
414.09070	2.2
425.12753	0.5
439.51556	0.3
456.06607	0.3
515.14917	7.7
515.28784	0.7
516.15833	0.8
516.27844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16851	0.5
55.33253	0.6
59.01383	1.0
70.81381	1.1
71.01379	1.2
81.03448	0.9
81.90710	0.5
85.02950	5.1
87.00876	0.8
93.03457	5.2
96.96023	1.7
105.06815	0.6
108.02263	0.8
111.04524	2.4
127.04006	2.0
133.02977	2.4
134.03764	1.6
135.04523	83.3
136.04848	1.9
137.02457	0.9
146.08183	0.6
149.64427	0.6
155.03493	2.1
160.01637	0.7
161.02443	13.5
168.08905	0.6
173.04547	5.8
179.03494	100.0
180.03847	2.7
184.58530	0.5
191.05598	42.5
192.05966	0.6
255.11093	0.6
296.22864	0.6
323.07724	8.7
335.07654	2.0
341.08713	25.2
342.09085	1.5
353.08441	4.9
515.14026	76.6
516.14502	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.1
59.01384	2.9
60.86443	0.6
61.98834	0.7
67.01900	4.1
69.03469	0.8
70.27106	2.1
71.01395	3.2
73.97202	0.5
81.03489	0.7
83.05010	1.0
85.02948	5.0
87.00895	2.3
90.40582	0.5
93.03461	25.6
96.14042	0.5
96.96045	1.0
99.04445	0.5
101.02431	0.6
109.02946	1.1
111.00909	2.0
111.04493	5.2
113.02471	0.7
119.05050	0.6
127.03973	1.2
133.02983	1.7
134.03723	1.7
135.04532	83.6
136.04861	1.6
137.02454	5.1
137.06157	0.7
155.03494	5.3
161.02463	8.4
173.04558	53.2
174.04912	1.0
179.03506	100.0
180.03929	2.7
191.05623	36.8
192.05952	0.7
323.07690	3.6
335.07764	1.0
336.31851	0.6
341.08759	49.9
342.09064	1.7
353.08728	7.9
515.14026	60.8
516.14380	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	515.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.5
65.00320	1.1
65.69875	0.4
69.24672	3.8
71.01376	1.0
75.50672	0.4
77.03973	2.8
79.01894	2.0
85.02919	0.6
87.00867	0.4
93.03460	2.6
95.04993	0.5
101.06079	16.0
101.42141	0.4
105.03463	1.1
107.01363	0.5
108.44146	0.3
109.02949	0.7
117.03466	16.3
118.03724	0.4
119.05005	1.5
121.02941	3.1
123.04468	0.5
125.02466	0.6
131.04993	0.5
133.02969	0.5
135.00835	0.4
135.04506	3.6
137.02478	0.8
145.02892	0.7
147.04539	0.9
148.01715	0.4
149.02428	3.7
159.04495	3.1
161.02443	6.9
162.03214	0.5
163.00375	1.1
163.03999	5.5
165.01888	1.0
173.02415	1.0
173.04539	0.5
175.00389	0.9
175.03886	0.5
177.01828	0.9
179.03439	1.0
183.04485	1.0
185.02399	0.9
185.06079	0.5
190.02722	0.5
191.03511	2.5
191.05075	0.5
193.01373	1.4
195.08141	0.7
196.05406	0.6
197.06058	1.3
203.03439	1.8
209.06036	0.7
210.06767	0.4
211.07610	0.7
213.05537	0.5
215.03458	0.5
215.07092	1.4
217.01439	0.7
224.04672	0.6
225.05571	1.1
229.01404	0.8
237.05556	0.7
239.07109	2.5
241.05116	0.4
243.06703	0.9
253.05130	0.8
255.06708	0.5
267.06781	0.5
268.03769	3.7
269.04529	7.6
279.06473	0.5
281.04529	10.8
282.05316	4.1
283.06100	57.5
284.06436	3.0
293.04520	4.5
295.03088	0.4
295.06174	4.6
307.06088	0.6
309.04056	0.9
311.05582	100.0
312.05957	5.3
314.04337	0.8
323.05566	12.7
324.05927	0.8
335.05524	0.6
341.06619	8.5
342.07007	0.6
353.06665	1.9
372.12189	1.2
377.06641	0.9
377.12277	0.4
395.07501	0.7
413.08734	59.5
414.09076	4.6
515.15552	83.5
516.15906	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15290	0.4
55.63440	0.4
59.01369	1.6
61.98838	2.3
64.50131	0.4
67.01888	0.5
70.82176	1.3
71.01380	1.3
71.66475	0.4
78.96640	0.5
81.03456	0.5
83.05038	0.7
85.02457	0.7
85.02952	9.8
87.00408	0.4
87.00871	3.0
93.03460	6.7
94.96258	0.4
99.04487	0.6
109.02985	1.1
111.04505	1.9
117.03455	1.7
127.04019	3.1
132.02173	1.9
133.02957	7.4
134.03735	0.4
135.04520	8.5
160.01645	3.2
161.02441	47.6
162.02782	1.3
173.04546	2.9
179.03496	7.6
191.05608	100.0
192.05937	2.4
241.07535	0.4
298.72635	0.4
323.07700	46.6
324.08078	1.8
341.08847	3.3
353.08633	3.3
515.14056	35.7
516.14142	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	515.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.7
61.98826	1.8
62.96433	0.4
67.01882	0.5
71.01374	2.0
77.49908	0.5
85.02956	10.6
87.00874	2.2
93.03468	4.4
96.96034	1.1
99.00871	0.5
109.02966	1.0
111.04523	1.9
117.03472	0.9
123.04480	0.8
127.04009	2.0
132.02174	1.5
133.02974	7.9
135.04514	3.7
149.04489	0.5
160.01685	2.8
161.02446	54.0
162.02817	1.5
167.03429	0.6
171.02985	0.9
173.04485	1.4
179.03516	4.4
191.05617	100.0
192.06006	1.7
219.06712	0.5
323.07703	36.7
324.08078	1.5
341.08896	1.9
353.08554	3.9
395.09891	1.3
420.80780	0.5
515.14026	42.3
516.14282	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	515.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81770	1.2
59.01381	40.2
62.49756	1.1
64.90025	1.4
71.01006	2.4
71.01382	36.0
71.53053	2.1
71.89361	1.2
72.99293	2.0
73.02930	5.9
75.00857	1.9
83.01389	2.0
83.05016	2.0
85.02978	6.9
87.00876	3.6
88.04050	2.4
89.02440	38.8
93.03459	16.9
99.00881	3.6
99.04521	1.9
101.02445	16.5
111.04516	5.6
112.98826	10.5
113.02449	10.7
115.00338	2.4
119.03492	13.4
129.01906	2.3
130.05072	2.1
131.03471	2.1
133.01399	2.1
137.02425	4.7
142.99878	10.0
143.03491	5.5
154.08542	1.3
155.03474	4.7
161.04547	5.7
172.05980	1.7
173.00882	8.6
173.04527	33.4
179.04018	1.7
179.05615	16.8
188.97083	1.4
191.05614	4.3
230.98193	1.3
258.20139	1.3
323.13373	2.3
341.10870	100.0
342.11203	4.4
383.25232	1.4
414.65811	1.5
459.14618	1.4
515.14850	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	515.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
60.99292	1.0
61.98830	2.7
67.01894	2.4
69.19965	1.1
69.20372	3.5
71.01378	2.0
81.03451	0.5
83.16550	0.4
85.02950	5.0
87.00877	4.6
89.02425	0.8
93.03458	18.5
98.20872	0.4
101.02509	0.6
106.02942	0.5
109.02924	0.7
111.04509	3.0
113.02396	0.6
117.15942	0.5
125.02393	0.5
126.13309	0.5
127.04013	1.5
133.02989	1.5
134.03763	0.5
135.04532	19.1
136.04834	0.6
142.04089	0.5
155.03467	0.9
161.02432	8.0
162.02757	0.6
173.04539	4.9
179.03502	15.6
191.05611	100.0
192.05937	1.7
281.49554	0.5
315.33466	0.4
323.07724	0.7
341.08865	0.7
353.08752	11.2
395.09845	2.6
455.21289	0.9
471.40164	0.5
515.14038	59.8
516.14227	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	515.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29152	1.4
52.22375	0.9
55.91469	1.0
57.03429	2.2
58.00606	1.3
59.01376	39.3
60.80392	0.9
71.01382	35.0
71.01777	1.8
71.53895	1.3
72.99296	3.6
73.02941	5.9
75.00872	2.5
83.01377	3.0
83.05022	1.9
85.02950	6.5
87.00864	4.0
88.04042	2.4
89.02439	41.3
93.03453	16.1
95.01391	1.2
96.96954	1.9
99.00877	4.9
99.04523	1.5
101.02436	20.7
111.00884	1.7
111.04505	6.8
112.98812	11.8
113.02441	15.4
115.00451	2.1
119.03506	14.7
124.98806	1.7
129.01912	3.4
130.05096	2.6
131.03499	2.3
133.01418	3.0
135.04530	1.8
137.02422	4.5
137.59422	1.1
142.99010	1.0
142.99875	9.6
143.03496	3.6
145.01419	1.1
149.04562	2.0
150.77853	1.0
155.03482	3.0
161.02437	1.8
161.04529	4.9
172.06142	1.7
172.89941	1.8
173.00948	8.6
173.04530	30.2
175.02388	1.4
179.03938	1.2
179.05598	20.3
188.97258	2.1
191.05638	8.3
195.08876	0.9
230.98189	1.5
259.80151	1.0
310.92203	1.0
323.13437	4.3
341.10858	100.0
342.11145	4.5
445.92014	1.1
515.14697	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	514.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.1
61.98834	100.0
69.37489	0.8
80.13876	0.1
85.03017	0.1
89.84554	0.1
92.16563	0.1
123.04540	0.1
125.02502	0.1
155.11826	0.1
166.44170	0.1
212.32605	0.1
233.70213	0.1
341.06876	0.1
363.00671	0.1
420.11926	0.1
451.10400	0.2
454.34119	0.1
514.16962	0.2
514.32385	0.6
515.18048	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.2
57.03161	1.1
57.03450	15.2
59.01379	24.6
61.98830	8.9
67.01894	0.9
68.99795	0.8
69.03438	1.0
71.01372	7.3
72.99298	1.9
73.02953	3.0
75.00867	1.1
76.22856	0.7
78.95899	3.5
80.05338	0.8
81.03454	1.4
83.01395	8.7
84.02174	2.2
85.02952	100.0
86.03258	0.8
87.00890	1.1
89.02430	2.3
93.03433	1.4
96.95382	1.9
96.96014	38.1
96.96926	5.4
99.00886	1.1
101.02445	3.0
109.02947	1.1
110.76813	0.8
111.00896	17.1
113.02427	2.0
114.93399	2.6
117.03493	1.3
123.04549	1.8
124.01654	0.9
125.02443	5.4
129.01949	41.0
132.02205	0.9
133.02934	1.7
134.03757	15.3
135.04483	2.3
137.02440	2.2
139.04037	1.2
147.02992	7.6
147.04506	23.2
149.02408	1.3
149.06073	3.3
151.00372	6.9
153.01942	1.8
160.01654	5.0
161.04556	2.5
161.05936	0.9
162.05589	2.4
163.04088	0.8
167.03490	5.7
168.00697	1.1
169.01404	5.6
173.00919	13.7
173.04572	1.3
175.03993	7.2
177.01956	8.0
178.02690	1.5
179.03481	2.0
179.05664	1.0
183.10201	0.9
187.07648	1.8
188.58234	0.8
191.01923	3.9
191.03537	1.9
191.05501	1.5
193.01370	1.0
193.05052	14.1
201.14944	1.0
215.07091	2.6
217.04979	1.1
221.06627	6.3
223.13295	2.6
239.05643	2.0
248.40965	1.0
261.07675	2.9
267.12250	1.2
275.05679	1.7
277.07132	3.7
293.12723	1.2
297.11237	1.2
312.12375	3.3
321.06183	3.7
323.07767	4.3
339.07233	1.6
341.10117	1.5
367.06708	2.2
437.48935	0.9
455.09964	5.2
497.10474	1.2
515.11639	3.7
515.17883	9.6
515.28229	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	515.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
57.03450	11.2
59.01381	22.2
61.98837	8.2
68.99823	1.3
69.44189	5.6
71.01376	9.7
72.99319	2.9
73.02946	4.6
75.00882	2.4
83.01382	5.2
83.05020	1.2
84.02165	1.6
85.02951	100.0
86.03301	1.6
87.00882	3.2
87.04527	2.2
88.27276	0.9
89.02457	2.8
93.03435	1.1
96.96006	4.5
98.20639	1.3
99.00890	1.2
99.04527	1.3
101.02443	4.1
111.00887	16.6
113.02435	3.1
117.03492	2.2
119.03478	1.0
123.04525	1.6
125.02483	1.9
125.54041	1.0
129.01950	27.5
133.02946	3.9
134.03735	15.0
135.04506	3.7
137.02440	1.9
137.09677	2.3
143.03508	2.0
147.03032	5.5
147.04515	17.0
149.04628	1.5
149.06065	3.5
155.10741	2.0
160.01675	3.5
161.02408	1.9
161.04564	2.0
161.06039	1.0
173.00885	10.6
173.04544	1.2
175.04013	4.7
177.01945	3.5
178.02658	2.0
179.03455	1.6
182.02260	1.4
187.07645	2.2
187.11140	1.4
191.02002	3.9
191.05533	1.9
193.05042	16.0
197.04559	2.0
215.07143	3.5
218.05637	1.3
249.05264	1.0
249.11264	1.1
261.07654	3.3
265.09271	1.5
267.12259	1.5
277.07086	6.0
321.06131	2.4
323.07742	2.6
339.07236	1.1
341.10101	1.4
353.09024	1.2
353.23300	5.1
515.21539	6.4
515.28558	10.2
533.52533	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46943	1.0
57.03440	2.2
57.53853	1.1
59.01381	10.0
61.18068	1.0
61.98831	17.0
70.27190	0.9
70.71645	2.5
71.01369	2.9
72.99297	1.3
75.00886	1.0
85.02951	14.3
87.00878	1.0
95.05040	1.4
96.96017	6.8
101.02519	1.2
102.66019	1.1
109.02960	22.0
111.00884	3.7
111.06905	0.9
119.05018	1.5
123.04547	14.1
125.02432	1.5
129.01929	6.3
133.02945	3.6
134.03737	3.7
135.04521	1.4
137.02419	1.2
141.46397	1.1
145.02991	1.6
147.04523	4.6
150.03191	1.0
151.04005	6.2
161.02432	7.0
163.03987	1.6
167.03529	1.6
173.00871	1.8
176.94446	1.0
177.01927	29.4
179.03453	1.5
183.10258	1.1
187.03978	2.3
189.01936	53.3
190.02737	11.8
191.03540	13.5
191.05281	2.0
193.05020	3.0
203.03459	6.8
216.00638	8.8
217.01427	43.6
217.10768	1.5
218.02090	3.4
219.02982	19.0
221.06703	3.5
223.13466	3.5
231.02975	12.3
267.12439	2.4
289.07108	1.4
323.05524	2.5
341.06656	100.0
342.06949	6.2
451.10349	99.1
452.10706	7.0
471.18863	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	514.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03035	3.5
59.01440	8.0
61.98893	3.2
71.01454	1.6
71.21429	0.9
72.99345	0.5
73.03029	1.3
73.04144	1.9
74.02548	16.1
75.00932	0.5
81.03532	0.8
82.06670	0.5
85.03045	1.5
87.00938	0.8
87.05725	3.3
88.04119	0.9
89.02502	0.6
93.03471	2.8
96.96098	1.9
97.04128	0.9
98.02466	2.7
99.04603	1.2
101.02516	0.8
101.07265	0.7
102.05654	0.6
111.04549	1.0
112.02847	0.9
112.06963	0.4
115.05134	3.2
116.03603	0.6
123.04662	0.4
126.09344	1.5
128.03624	1.1
129.10345	12.3
130.08736	2.0
135.04646	1.3
137.02541	0.5
140.07274	2.0
141.10403	0.8
143.11900	11.4
151.08887	1.9
152.07184	1.0
153.05458	2.0
153.10321	3.3
155.11972	1.2
157.13591	0.6
161.04597	0.7
166.08772	1.0
167.11981	0.8
168.11424	9.7
168.12718	0.6
169.09801	2.2
173.04529	3.5
174.12132	0.5
179.03589	1.4
179.05693	0.9
179.10617	0.4
179.11888	2.1
183.11356	4.5
186.12485	7.2
187.10912	4.0
191.05586	6.5
191.07083	0.6
192.06110	0.6
193.06384	0.6
200.14124	1.5
210.12474	28.2
211.12830	0.5
214.15598	17.0
215.15926	0.5
221.06696	4.2
223.11172	0.7
223.13492	0.8
228.13499	14.8
229.14038	0.6
240.10431	1.2
240.13676	0.5
257.16241	0.6
258.14468	2.5
268.13535	0.7
271.17792	0.5
284.09311	1.0
296.12964	0.7
299.17200	0.8
319.46381	0.4
327.24036	8.6
327.27625	0.8
328.24377	0.4
340.12094	2.3
353.08932	1.6
371.22998	1.8
384.26208	2.0
426.27048	1.0
470.26166	100.0
471.26578	7.5
496.27545	1.1
497.28244	0.5
514.17334	5.6
514.28772	23.0
515.18121	0.5
515.28906	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
57.03448	0.2
58.00597	0.3
59.01377	5.7
59.98541	0.0
61.98820	0.1
68.99827	0.1
69.03455	0.1
70.58067	0.1
70.58398	0.1
71.01379	5.0
72.99301	0.3
73.02945	1.0
79.49100	0.0
81.03461	0.1
83.01386	0.6
83.05028	0.1
85.02944	1.2
87.00869	0.7
87.18687	0.1
89.02441	3.7
91.04018	0.2
95.01385	0.4
97.02955	0.3
99.00894	0.2
100.29958	0.1
101.02441	4.7
101.85847	0.1
102.02769	0.1
103.04028	0.1
109.03042	0.1
112.01621	0.1
113.02444	2.1
115.04002	0.1
119.03499	1.0
125.02459	0.2
127.07648	0.2
131.03510	0.2
133.05081	0.3
143.03484	0.4
145.05107	0.1
149.04535	0.1
155.07024	0.1
157.05069	0.2
161.04555	1.5
179.05647	0.6
182.13165	0.1
205.19614	0.1
233.22716	0.3
235.08192	1.1
253.09270	17.0
254.09648	0.5
259.20551	0.4
275.19980	0.4
277.21695	100.0
278.22040	5.3
278.25281	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78651	0.0
55.01874	0.3
57.03446	0.1
58.00598	0.2
59.01379	5.9
60.01695	0.0
60.99306	0.0
61.51886	0.0
61.98829	0.1
69.03453	0.1
71.01381	4.5
72.99323	0.3
73.02947	1.0
81.03445	0.1
83.01384	0.6
83.05041	0.1
85.02947	1.2
86.78117	0.0
87.00876	0.6
89.01864	0.1
89.02017	0.1
89.02444	3.5
91.04015	0.2
95.01385	0.5
97.02928	0.2
99.00876	0.3
101.02443	4.5
102.02782	0.1
103.04021	0.1
111.00032	0.0
113.02446	2.1
115.03978	0.2
119.03498	1.0
125.02447	0.2
127.07653	0.2
131.03502	0.1
133.05058	0.2
143.03519	0.3
149.04533	0.1
157.05092	0.2
161.04559	1.6
179.05646	0.6
197.11807	0.1
214.12251	0.1
233.15338	0.1
233.22794	0.4
235.08208	1.3
236.08548	0.1
253.09274	16.3
254.09633	0.5
259.20630	0.4
275.20172	0.4
277.21707	100.0
278.22040	5.5
299.34872	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14461	0.3
61.98818	1.0
62.44083	0.3
63.12727	0.3
71.54286	0.4
78.44181	0.3
78.95905	53.5
96.96960	5.2
102.49924	0.3
150.98039	2.0
152.99583	100.0
153.99878	0.7
171.00652	3.9
218.68513	0.3
234.98630	0.4
252.99649	0.7
277.21710	1.2
431.21988	32.1
432.22235	1.7
449.54129	0.3
453.19870	0.4
513.21863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.0
61.98817	1.1
63.96230	0.8
67.14308	0.6
69.39064	1.5
69.39491	2.5
71.01382	6.2
73.02937	2.1
78.98593	4.3
79.95724	6.2
80.96513	44.7
81.03442	1.3
85.02945	2.2
87.00861	2.1
89.02431	0.8
94.97494	0.8
94.98081	12.3
95.19837	0.6
96.95977	1.0
97.02932	1.2
99.00838	0.6
101.02457	2.7
106.98077	1.4
113.02408	0.8
115.99832	0.5
122.97588	3.9
125.02416	2.7
134.97594	3.9
136.99104	1.0
148.99120	5.1
152.98631	5.8
164.98608	8.8
179.03453	0.5
182.99660	2.1
206.99651	2.8
213.14952	3.0
225.00725	15.9
243.01733	1.7
299.04440	2.7
321.84357	0.5
350.71423	0.6
513.20062	100.0
514.20380	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	511.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	40.5
59.06654	0.2
60.01723	0.3
61.98827	0.4
68.18330	0.2
69.38078	1.8
71.01391	0.7
81.03460	3.3
83.01396	0.3
83.05025	10.1
85.02960	0.6
89.02437	0.3
96.96055	0.4
97.02966	0.3
101.02472	0.5
107.06188	0.5
108.02222	0.4
109.03008	0.4
113.02480	0.2
118.86549	0.2
120.33856	0.2
121.02962	0.7
123.00893	1.4
123.04533	0.8
124.01660	3.1
125.02454	6.2
125.07201	1.3
134.03740	0.3
137.02446	0.9
139.00287	0.3
139.04034	0.5
143.08273	0.5
145.05325	0.2
149.99590	5.4
151.00296	0.4
151.31784	0.2
152.01199	0.2
153.05594	0.8
160.01624	0.2
167.03523	0.8
168.00645	8.9
169.01382	0.9
175.04022	0.4
182.02225	0.4
183.02965	0.2
185.11754	0.4
187.13394	0.9
191.74982	0.2
193.05142	0.4
197.04468	1.1
207.15063	1.4
224.17680	2.0
225.16090	9.4
226.16368	0.4
242.18700	0.6
283.10547	0.3
313.05774	0.5
324.26456	1.1
324.31705	0.2
331.06714	0.3
333.22900	2.1
341.08728	0.4
347.68799	0.3
349.18689	3.3
350.18903	0.3
351.23999	0.7
367.27109	1.5
433.31790	5.8
451.32877	100.0
452.33197	7.9
493.09418	0.3
511.10864	16.3
511.17398	0.8
511.35147	0.3
512.11169	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	512.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
59.01387	1.8
61.98830	100.0
63.02390	0.8
65.00317	4.3
69.66573	4.0
83.01397	2.8
85.02956	3.8
89.33459	0.6
96.95987	0.6
97.02972	0.8
98.20627	1.1
99.04485	0.7
101.02480	0.9
107.01385	8.8
108.02170	1.0
109.02975	1.4
119.01981	0.7
119.05009	0.7
121.03023	0.8
123.04515	1.5
123.66244	0.7
125.02454	11.9
134.03796	0.8
135.04521	39.9
136.04926	0.9
137.02473	1.1
139.04012	6.0
140.04384	0.9
149.02309	0.7
151.00366	74.6
152.00798	2.1
161.02464	0.9
165.01982	0.8
167.03491	1.4
168.91391	0.7
169.01361	1.0
205.05299	0.7
209.04602	0.7
285.50439	0.7
287.05600	51.3
288.06122	2.9
449.10828	56.6
450.11182	5.2
512.19757	1.5
513.20270	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	511.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39030	0.4
57.03452	0.8
59.01380	2.8
61.98830	2.9
64.66045	0.4
67.01868	0.5
68.94907	0.4
68.99827	0.5
71.01387	2.2
73.02940	1.1
79.95745	0.5
81.03458	7.0
83.01373	4.7
85.02949	4.1
88.98823	0.5
93.03479	1.4
95.01389	0.8
95.05028	7.8
95.44701	0.4
95.95241	0.5
96.96012	7.0
97.02966	2.0
97.19677	0.4
99.04523	1.7
101.02433	1.5
107.05029	0.9
108.02187	3.3
109.02955	4.0
111.00884	0.5
113.02457	1.8
117.03494	0.5
119.05050	0.6
121.02971	1.3
122.03715	1.0
123.00906	0.5
123.04523	10.4
125.02447	13.7
125.06085	1.3
129.01930	0.9
133.06642	0.6
134.03778	0.6
135.04512	1.9
137.02455	4.8
137.06076	9.7
139.04013	3.0
139.11263	1.1
141.05571	1.4
141.61516	0.5
145.02943	1.3
149.02422	1.5
149.06075	1.2
151.04001	3.4
152.01134	3.8
153.01903	1.4
155.03535	0.5
163.03946	0.7
165.01872	0.9
165.05588	2.9
165.09085	0.5
167.03490	30.4
168.03780	0.8
169.05064	3.8
175.03984	0.8
177.01955	1.0
177.05580	1.5
179.03487	8.4
180.98174	0.6
181.05042	2.0
185.11818	2.1
187.13353	1.8
191.03517	1.3
191.05563	1.1
193.05040	8.2
197.04524	1.3
201.11363	2.4
203.03650	0.5
205.05011	0.5
209.04541	100.0
210.04939	2.3
221.04541	35.2
222.04831	1.1
225.60056	0.5
233.04576	0.5
239.03108	0.6
239.05574	12.0
251.05583	3.4
263.05609	0.9
283.10318	0.8
311.07550	1.1
315.07300	0.6
319.02490	0.6
329.08765	37.0
330.08990	2.2
331.17859	0.6
341.08755	30.3
342.09079	1.2
349.08240	1.1
349.14673	0.7
349.18652	7.7
391.10162	2.5
397.11353	1.7
493.13147	0.7
511.14526	20.6
511.20676	1.3
512.15228	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	511.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27133	0.9
54.78969	0.8
59.01381	5.6
61.98827	7.2
71.01357	4.9
71.10518	2.1
71.10866	1.2
73.02956	2.2
81.03467	3.6
81.38419	1.0
83.01390	1.2
83.05024	3.9
83.28632	0.9
83.66967	1.0
85.02950	3.1
89.02444	2.4
93.03458	31.9
99.04502	1.5
101.02448	2.2
111.04521	10.3
113.02443	2.4
117.03471	2.8
119.03514	0.9
121.02974	2.5
123.04533	1.9
125.02441	5.6
126.87875	1.0
132.20102	0.9
133.02914	1.4
134.03740	62.8
135.04561	2.7
137.02449	29.8
139.03937	2.0
149.06085	17.8
150.03206	1.0
151.03947	2.0
155.03494	20.4
160.01581	4.5
161.02394	1.3
161.04633	1.7
165.01881	1.0
165.87144	1.0
166.02756	2.3
167.03496	14.4
173.09695	1.1
175.03983	5.1
175.07620	1.1
178.02716	24.3
179.03427	2.4
181.05095	2.9
181.41290	1.1
191.05550	4.9
193.05060	100.0
194.05421	2.8
197.04628	2.3
213.09253	1.0
225.12778	1.2
230.09454	2.6
231.06931	1.0
243.13905	2.9
245.11853	4.0
260.10266	1.3
265.03461	1.0
275.12912	11.0
293.08777	2.2
329.06705	8.4
331.11996	1.7
349.09262	80.5
350.09558	4.0
355.10168	2.0
391.10321	3.4
448.09479	1.2
449.10754	1.4
511.13409	14.1
512.14020	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27133	0.9
54.78969	0.8
59.01381	5.6
61.98827	7.2
71.01357	4.9
71.10518	2.1
71.10866	1.2
73.02956	2.2
81.03467	3.6
81.38419	1.0
83.01390	1.2
83.05024	3.9
83.28632	0.9
83.66967	1.0
85.02950	3.1
89.02444	2.4
93.03458	31.9
99.04502	1.5
101.02448	2.2
111.04521	10.3
113.02443	2.4
117.03471	2.8
119.03514	0.9
121.02974	2.5
123.04533	1.9
125.02441	5.6
126.87875	1.0
132.20102	0.9
133.02914	1.4
134.03740	62.8
135.04561	2.7
137.02449	29.8
139.03937	2.0
149.06085	17.8
150.03206	1.0
151.03947	2.0
155.03494	20.4
160.01581	4.5
161.02394	1.3
161.04633	1.7
165.01881	1.0
165.87144	1.0
166.02756	2.3
167.03496	14.4
173.09695	1.1
175.03983	5.1
175.07620	1.1
178.02716	24.3
179.03427	2.4
181.05095	2.9
181.41290	1.1
191.05550	4.9
193.05060	100.0
194.05421	2.8
197.04628	2.3
213.09253	1.0
225.12778	1.2
230.09454	2.6
231.06931	1.0
243.13905	2.9
245.11853	4.0
260.10266	1.3
265.03461	1.0
275.12912	11.0
293.08777	2.2
329.06705	8.4
331.11996	1.7
349.09262	80.5
350.09558	4.0
355.10168	2.0
391.10321	3.4
448.09479	1.2
449.10754	1.4
511.13409	14.1
512.14020	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00659	0.7
56.80477	0.5
57.08380	0.6
59.01386	3.4
61.98829	61.0
66.36720	0.7
69.78239	0.7
71.54586	0.6
101.02432	0.7
106.98278	0.7
119.05022	2.7
120.05373	0.7
121.02962	2.9
122.03368	0.8
133.02962	1.4
137.02388	0.7
151.00388	1.9
154.82829	0.6
163.03944	0.7
165.01984	0.7
169.16663	0.5
175.03996	0.8
191.05603	1.7
217.05092	0.6
227.03487	17.7
229.05048	1.1
243.03249	0.6
255.00464	0.7
255.02959	25.2
256.03687	3.8
284.03253	47.7
285.04034	38.4
286.04352	1.9
297.04077	1.3
298.04639	0.7
299.05637	1.4
327.05127	7.8
357.06049	1.7
387.00394	0.7
410.99896	0.7
447.09314	100.0
448.09659	8.9
510.19534	1.3
511.12759	1.0
530.79565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94371	1.0
57.03426	1.1
57.65532	0.9
59.01380	100.0
61.98830	11.1
69.20754	1.4
69.21154	9.4
71.01376	1.7
74.98629	0.9
83.01376	1.4
85.02960	3.6
98.20680	1.9
101.02433	2.1
101.97684	0.9
106.06623	2.2
109.02898	1.1
117.43095	1.2
142.06587	1.3
148.94696	1.1
151.00429	1.3
151.02867	1.2
163.08780	37.9
164.09100	1.3
255.02933	3.5
271.02448	4.6
271.17123	1.8
300.02756	9.2
301.03674	5.3
306.16125	24.7
307.16360	2.5
376.16394	1.1
412.98233	1.2
440.37711	1.2
447.09372	13.7
448.09363	1.6
468.21262	3.9
510.19772	4.2
511.19873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.2
59.34592	0.5
61.98826	20.8
70.97040	0.6
70.97360	0.6
71.01379	3.1
73.02940	1.1
75.00874	0.7
81.03475	1.0
83.01398	0.5
85.02944	3.7
87.00875	0.5
89.02438	3.0
93.03456	0.7
96.96023	0.6
101.02439	2.7
105.03436	0.6
107.01377	0.7
108.02135	1.1
109.02962	3.6
111.04436	0.6
113.02447	1.6
119.05000	1.1
121.02946	1.3
122.02515	0.7
123.00860	0.7
123.04481	1.3
125.02467	2.7
133.02942	10.2
134.03703	0.5
135.04498	2.1
137.02480	2.3
143.03584	0.6
147.04477	1.2
149.02452	1.6
151.00345	0.9
151.03949	0.8
152.01218	0.6
161.02422	1.8
161.04544	1.4
163.00368	1.5
163.04010	2.7
165.01877	2.0
167.03477	1.8
168.00569	0.5
173.00864	0.5
173.02286	0.5
175.04007	3.2
177.01952	1.4
179.03531	0.8
179.05667	1.2
180.06686	0.6
185.11829	1.4
187.79659	0.4
190.02635	0.5
191.03455	2.0
191.05408	0.6
193.01408	1.0
199.03983	1.2
201.01898	1.2
212.04807	0.6
213.05551	1.1
225.05675	0.5
225.11169	1.0
227.03487	0.6
237.05911	0.5
240.04181	0.9
243.02954	0.6
253.05089	0.9
254.05881	0.6
255.02846	0.8
257.04565	0.8
269.04510	0.9
284.03265	7.8
285.03989	6.8
293.04590	0.6
297.04016	16.1
298.04779	8.4
299.05594	17.4
300.05862	0.6
309.03940	1.1
311.05579	1.7
324.02731	0.7
325.03311	0.9
327.05063	100.0
328.05411	5.5
339.05090	3.9
341.06537	0.9
342.11346	0.6
343.06766	1.0
347.16974	2.4
348.17456	1.6
357.06131	28.2
358.06464	1.3
369.05811	2.2
393.06168	1.2
447.09277	90.8
448.09653	5.9
449.24393	0.6
509.22546	1.4
510.16040	0.7
510.22461	1.7
511.09879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99501	1.0
61.98829	13.7
62.94976	1.0
69.21510	10.4
86.90597	1.1
107.01385	2.2
109.02940	1.5
119.88287	1.1
121.02972	2.5
151.00363	10.6
163.00389	3.0
178.99855	4.4
190.89627	1.1
190.99757	1.1
211.04146	1.2
227.03474	1.5
243.02959	7.1
245.04385	2.0
254.02209	1.4
255.03004	14.5
271.02493	30.9
272.03070	1.5
273.04068	2.2
276.93896	1.2
283.02408	1.3
285.05826	1.0
300.02753	65.7
301.03503	47.4
302.03857	2.3
447.09299	100.0
448.09644	6.6
502.84793	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03444	1.1
59.01380	100.0
60.01722	1.2
61.98839	3.2
67.33776	0.5
69.63406	3.6
71.01385	8.6
73.02946	4.2
75.00873	0.9
83.01415	1.6
85.02938	6.3
87.00901	1.2
89.02438	2.6
89.51587	0.5
95.01405	0.8
96.96052	0.7
97.02956	0.6
97.58761	0.5
98.20621	1.2
99.00887	1.6
101.02449	7.7
103.00397	0.6
113.02439	3.8
119.03526	0.6
123.04540	1.0
125.02475	1.4
129.01990	1.5
143.03557	0.9
159.02940	0.7
161.04594	2.5
173.04546	0.8
191.05643	2.7
196.42909	0.5
243.15869	1.3
245.17564	1.6
287.18628	1.2
335.17606	0.6
389.21805	11.4
407.22858	14.5
408.23401	1.5
449.23914	20.7
450.24564	1.6
509.26254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62617	0.6
57.03438	0.7
59.01379	3.8
61.98831	24.1
63.02402	0.6
69.53201	4.5
71.01381	1.9
73.02933	0.9
76.01465	0.6
76.36771	0.6
82.65012	0.6
83.01376	0.9
85.02952	3.3
87.00884	0.8
89.02450	1.0
93.03482	1.0
96.15035	0.6
96.96011	2.3
101.02468	1.1
107.01387	2.3
108.02165	2.7
109.02988	1.2
113.02450	0.9
121.02941	1.8
122.02486	1.4
123.00977	0.9
123.04555	1.8
125.02437	1.7
129.01959	1.0
133.02989	2.3
137.02444	2.1
139.03975	0.8
139.11296	1.2
149.02440	1.1
151.00362	3.1
152.01158	5.3
153.01532	1.1
153.05562	1.0
161.02516	0.7
166.02733	1.2
167.03511	7.8
168.00616	0.8
168.03883	2.6
175.04030	1.2
181.05066	1.2
182.02097	1.1
183.02936	2.2
184.03259	1.0
191.01952	0.6
191.05449	0.8
197.04539	1.4
199.04057	1.2
199.09747	1.0
201.11201	1.3
217.05110	0.8
240.65025	0.6
241.05008	0.7
256.03726	1.9
283.99985	1.2
284.03256	43.9
285.04034	95.4
286.04437	4.3
327.07761	3.2
328.07608	4.2
341.08774	1.6
342.09039	2.3
361.18469	0.8
447.09293	100.0
448.09738	7.0
451.32910	0.7
509.22305	0.8
510.13403	6.9
510.21085	1.2
511.20242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.1
61.98829	11.9
67.01910	1.6
68.99824	2.8
69.18473	7.5
69.18895	4.8
78.95882	1.2
79.66512	1.5
92.91864	1.4
93.03494	1.6
95.01414	1.6
108.02161	3.7
109.02963	3.2
117.03533	1.5
121.02963	11.4
123.00867	8.1
123.04525	5.7
136.01662	72.5
136.05264	2.4
136.63608	1.4
138.03204	6.3
151.04010	100.0
152.04341	1.6
161.02409	6.3
162.03207	8.8
163.04010	4.5
174.03169	1.6
175.03979	5.0
177.05574	20.5
179.03528	2.5
187.03972	2.7
189.05490	2.6
190.06334	1.6
193.05032	9.7
250.90364	1.3
255.06630	2.3
270.09113	2.2
300.02893	1.6
311.09241	5.1
326.11606	7.0
327.12292	4.3
341.10284	3.2
342.10956	1.8
356.08871	1.7
356.12714	17.8
357.13409	74.7
358.13788	5.4
380.21436	1.3
447.09659	1.8
479.24286	4.0
509.25458	26.7
510.25385	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
61.98832	25.0
62.28991	1.0
67.01913	1.3
68.89861	1.0
68.99818	2.7
69.44170	1.7
69.44575	7.2
78.95903	9.8
80.08158	1.1
86.28207	1.1
93.03452	1.7
95.01373	1.7
96.96034	2.6
96.96972	13.7
108.02130	2.2
109.02956	3.7
117.03459	2.2
121.02934	8.4
123.00925	8.9
123.04507	4.9
133.02939	2.2
136.01666	67.3
136.05255	1.6
137.02455	2.0
138.03224	7.7
149.02426	1.2
149.06154	1.5
151.04007	100.0
152.04375	2.7
159.04552	1.1
159.30537	1.3
161.02437	4.4
162.03246	8.3
163.03987	5.0
168.04158	1.2
174.03197	1.4
175.03999	3.7
177.05556	21.1
178.06006	1.3
179.03473	2.6
187.04109	1.6
189.05539	4.0
190.06393	1.6
193.05069	9.5
255.06630	2.7
270.09036	1.9
311.09311	3.5
311.12936	2.0
326.11545	3.6
327.12277	3.3
341.10330	2.6
342.11157	3.2
350.47867	1.2
356.08813	2.0
356.12653	22.9
357.13400	39.6
358.13568	1.7
411.18112	4.6
447.09128	2.1
494.23108	1.8
509.25436	35.6
510.25803	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	509.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54263	1.0
52.65578	1.5
55.01883	2.1
57.03450	3.2
59.01382	13.2
61.98824	3.3
67.01888	3.8
68.99828	1.6
71.01388	17.6
73.02950	5.3
81.03465	2.6
83.01391	4.6
84.28510	1.2
85.02956	11.0
87.00894	2.0
87.35651	1.3
89.02439	6.1
91.01903	5.3
93.03442	1.2
95.01373	7.4
96.96014	3.2
97.02973	1.8
99.00874	2.4
99.74444	1.3
99.86475	1.0
101.02448	15.2
107.01389	7.0
108.02165	16.5
109.02950	31.9
111.00890	3.0
113.02465	7.2
119.03508	1.9
121.02991	3.4
122.03738	6.1
123.00893	29.9
123.04530	26.8
124.01655	2.1
125.02446	9.2
129.01942	2.4
135.04538	3.7
136.01721	1.4
137.02473	4.3
137.06091	2.1
138.03242	20.8
143.03461	1.3
149.02510	1.3
151.00372	11.4
151.03946	1.3
151.23508	1.1
151.99983	1.9
152.01160	27.5
153.01952	46.8
153.05582	8.8
155.10794	4.7
160.66069	1.0
161.04564	3.5
165.01892	1.7
165.05540	1.4
166.02654	2.2
166.99854	24.3
167.03496	53.0
167.10924	1.3
175.00858	1.3
179.03520	3.3
179.05562	2.4
181.01421	8.8
181.05072	2.6
182.02211	72.8
183.02791	2.2
183.10207	1.6
185.11806	2.1
191.05638	2.7
193.05067	1.5
195.02975	2.9
195.06538	1.2
196.03822	9.0
197.04559	100.0
198.04816	3.9
199.09843	1.7
209.04585	12.8
211.06192	9.0
221.04561	3.2
225.04108	1.3
235.06097	2.8
239.05620	4.5
265.07309	1.5
269.06622	1.3
283.95203	1.2
296.05527	6.6
297.06158	66.9
298.06570	3.8
311.07712	45.5
327.04749	1.3
341.08698	1.7
347.13168	2.1
347.17117	22.3
348.17810	1.6
364.73163	1.1
384.29950	1.2
389.08707	7.3
423.09357	3.2
447.08911	1.9
449.23856	1.9
452.37189	1.3
465.14667	7.4
509.13043	87.1
509.21304	4.1
510.13489	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	509.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00562	0.2
59.01378	17.3
61.98820	1.2
62.62418	0.2
64.66984	0.2
70.29409	0.4
71.01377	3.5
72.99292	0.3
73.02942	2.3
75.00853	0.2
83.01385	0.5
85.02937	0.7
87.00896	0.2
89.02437	2.2
89.12357	0.2
91.05531	0.3
93.03433	1.2
95.01391	0.3
95.05011	0.4
101.02436	3.1
106.04245	4.1
107.05027	24.5
108.02182	1.3
108.05409	0.4
111.04480	0.2
112.33597	0.2
113.02445	1.9
119.03497	0.7
119.05003	1.1
121.02938	0.3
123.04512	2.5
131.03508	0.4
133.02933	0.3
134.03748	1.2
135.04520	100.0
136.04846	2.6
137.02419	0.8
137.06081	3.4
138.03229	0.3
141.45410	0.2
143.03471	0.3
153.04312	0.4
153.05563	8.1
154.05948	0.3
154.07106	0.2
161.04579	0.8
178.08841	0.2
179.03500	0.9
179.05724	0.2
195.06599	0.7
211.22537	0.2
255.03020	0.3
271.02457	0.6
285.04044	0.2
286.90198	0.2
299.05325	0.2
300.02759	1.4
301.03503	0.8
327.05182	0.7
329.17511	0.3
347.18597	2.2
348.18884	0.2
447.09305	3.1
509.16772	0.3
509.23343	1.2
510.18738	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11984	0.7
59.01379	5.2
61.98831	4.0
67.01888	0.9
67.75472	0.6
69.36253	5.9
71.01389	7.9
73.02966	1.5
79.01935	0.9
81.03453	1.4
83.01398	2.1
85.02966	4.0
87.00868	2.0
89.02444	2.0
91.01908	0.9
93.03475	1.2
95.01389	3.1
96.95995	1.8
97.02962	1.2
99.00857	0.9
101.02460	3.5
107.01389	6.7
108.02172	38.4
109.02962	3.7
111.00874	2.5
112.98788	0.9
113.02448	2.3
119.03492	0.9
121.02950	8.4
122.00159	0.7
123.00895	9.8
123.04517	18.1
124.01629	2.0
125.02444	2.3
127.00368	1.6
136.98799	1.0
137.02441	12.0
138.03175	2.1
139.00403	3.7
139.04012	8.8
140.38960	0.7
141.01920	1.3
151.00349	3.8
151.04008	1.9
152.01151	66.5
153.01819	2.4
153.05568	8.0
153.99004	0.8
154.02660	1.0
155.03430	1.2
166.02718	23.0
166.99884	6.3
167.03494	100.0
168.00645	5.8
168.03787	3.7
169.01433	1.2
177.01894	0.8
181.01476	7.5
181.05063	15.0
182.02190	11.5
183.02974	33.7
185.11862	2.8
196.03806	1.5
197.04555	22.7
209.04538	0.9
211.02487	1.3
211.06091	0.8
212.73224	0.6
215.43547	0.7
225.04001	2.6
251.05409	0.7
267.05087	1.0
282.39279	0.7
285.04059	2.1
287.09308	2.0
302.03317	0.8
311.04205	1.0
312.04794	1.9
326.06357	4.6
327.07202	65.9
328.07578	3.8
341.08737	40.0
341.14984	0.9
342.09067	2.0
447.09579	0.9
509.13000	61.6
510.13232	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63360	0.4
57.03439	0.6
58.51272	0.5
59.01397	2.7
61.98824	2.6
65.65779	0.5
69.03448	0.6
71.01376	2.2
73.02956	0.7
78.17803	0.6
81.03460	3.7
83.01380	6.9
85.02946	1.1
89.02484	0.7
93.03445	1.9
95.01422	0.8
95.05038	3.0
96.95967	0.7
97.02953	1.5
99.04520	1.0
101.02438	1.4
107.05047	0.8
109.02966	2.1
111.04526	0.7
113.02476	1.1
118.08436	0.6
119.05019	0.7
121.02956	0.9
122.03753	0.6
123.00954	0.6
123.04529	16.4
125.02448	7.4
133.06599	0.9
134.03752	0.7
135.00908	0.5
135.04509	3.2
137.02443	18.9
137.06075	4.8
137.09692	0.6
139.04008	3.4
147.04561	0.5
149.02441	1.6
149.06131	1.2
151.00418	0.8
151.03992	6.1
152.66788	0.5
154.28340	0.5
155.03471	1.0
161.02481	1.3
163.00368	4.7
163.03987	0.8
164.04805	2.4
165.05544	2.1
167.03496	49.1
168.03806	1.2
174.74159	0.5
175.03940	0.7
177.01909	1.2
177.05603	2.0
179.03497	100.0
180.03827	2.4
181.05045	1.5
191.03516	2.9
191.05197	0.4
192.04199	0.7
193.05055	10.5
194.05399	0.5
197.04567	1.1
209.04546	42.7
210.04890	1.5
221.04547	57.3
222.04863	2.3
233.04439	1.2
239.05611	36.6
240.05922	1.3
251.05603	20.1
252.05899	0.8
261.18576	1.9
281.06555	1.0
300.02817	1.3
301.03531	0.7
305.17590	6.7
311.07706	3.2
323.07758	2.9
329.08804	12.6
341.08728	25.1
342.09058	1.2
389.08780	26.8
390.08984	2.3
401.08774	0.9
419.09882	3.4
447.09430	1.5
480.23300	0.5
491.12167	1.7
508.35690	1.4
509.12994	18.3
509.20016	1.0
509.35947	0.6
510.13544	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74628	0.4
58.78283	0.4
59.01380	0.6
61.98837	0.4
70.76147	0.8
77.13602	0.3
77.14051	0.3
78.92619	0.3
78.95907	8.6
79.37178	0.3
81.81581	0.3
96.96954	0.5
110.79552	0.3
118.10667	0.4
129.97343	0.3
132.25798	0.3
150.72313	0.3
152.99588	13.9
171.00638	1.2
217.18480	0.3
227.03281	2.3
245.04311	1.8
266.70291	0.3
279.23279	100.0
280.23639	5.4
282.48334	0.4
507.27264	36.6
508.27393	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	508.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81924	0.2
59.01379	2.0
61.98829	100.0
69.44296	1.9
71.01391	0.6
78.15311	0.2
89.02456	0.4
98.20632	0.4
101.02429	0.2
112.35127	0.3
125.02428	0.2
148.04170	0.4
191.05557	0.4
297.73514	0.2
408.85489	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.03446	12.4
59.01382	5.5
61.98825	2.9
68.99833	1.0
69.40166	2.5
69.40597	3.6
71.01377	4.1
71.82286	0.9
73.02949	1.3
75.00882	1.4
83.01398	5.8
84.02147	1.4
85.02950	100.0
86.03307	1.1
87.00845	1.0
89.02449	2.4
91.01902	3.9
96.96018	5.7
97.59788	0.8
101.02444	3.2
108.02155	3.5
109.02957	2.5
110.03313	0.7
111.00884	15.0
113.02439	1.4
123.00901	1.0
123.04534	15.5
124.01686	1.0
125.02420	0.9
129.01942	44.4
135.04474	1.0
147.02995	10.8
149.02347	1.5
152.01144	4.1
163.04047	1.3
166.02666	1.1
167.03494	41.7
173.00916	13.6
178.78465	0.8
179.03516	1.1
179.05620	0.9
191.01967	8.0
192.04414	1.4
207.06601	2.0
209.02942	1.5
233.04544	11.0
235.06123	9.5
262.41934	0.9
279.05054	1.2
295.39438	0.8
297.06155	9.8
311.07660	6.5
341.05099	7.1
349.38599	0.9
359.06183	11.0
473.12872	2.8
503.67499	0.9
509.09341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2597
Annotation	6'-Hydroxysordarin
Peak:m/z	Relative Intensity
55.01880	2.1
55.54542	0.2
56.61021	0.2
57.03452	2.2
58.00591	0.9
59.01379	61.3
61.98826	0.3
68.99820	0.6
69.03460	1.5
70.87473	0.4
71.01382	19.7
72.99309	2.3
73.02945	6.5
75.00880	1.7
76.05029	0.2
81.03442	0.4
83.01385	5.4
83.01873	0.3
85.02952	11.6
86.00094	2.8
87.00352	0.2
87.00878	5.5
89.02443	4.6
95.01393	3.1
97.02940	1.5
99.00892	3.3
101.02444	11.5
110.85151	0.3
111.00884	4.5
112.01669	1.0
112.79634	0.2
113.02454	7.4
119.03487	1.5
120.56817	0.2
123.00903	1.8
124.01660	1.0
125.02454	2.0
127.00326	0.4
129.01910	1.4
130.04300	0.4
132.05814	3.0
133.06570	1.7
139.75291	0.3
141.01949	5.9
143.03481	0.8
144.05814	1.7
145.06581	0.5
146.07376	9.9
147.08150	1.5
159.02946	0.7
159.08208	0.3
160.08966	0.5
161.04593	0.3
162.06776	0.4
164.04796	1.1
170.50136	0.3
176.04820	0.6
178.06339	5.6
179.24075	0.2
183.08090	0.3
186.10390	0.5
191.62885	0.3
199.11201	0.4
201.04300	0.3
212.12039	0.3
215.14442	0.4
219.00453	0.2
255.17563	4.9
256.17621	0.3
257.19052	1.7
265.15863	0.4
267.17523	5.5
268.18063	0.3
269.19101	0.5
271.17148	0.3
273.18588	11.7
274.18814	0.4
275.20004	0.5
285.18585	30.5
285.58435	0.3
286.18985	2.0
287.20151	45.9
288.20483	2.7
297.18549	0.4
299.20154	0.6
301.21707	3.8
303.19519	0.8
309.18515	0.4
315.19592	0.8
327.19614	0.7
329.21109	1.7
341.21075	0.4
345.20700	0.4
357.20593	1.6
417.22900	7.4
418.23257	0.5
429.22787	17.2
430.22916	1.0
435.23837	13.3
436.24304	0.8
445.25912	4.6
447.23859	44.4
448.24286	3.5
465.24951	1.3
477.24915	24.9
478.25259	2.3
489.24918	100.0
490.25281	8.2
490.32477	0.3
507.25992	10.7
508.26147	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97894	0.9
55.01863	2.0
57.03427	2.0
59.01377	26.2
61.98826	8.8
67.77576	0.8
69.03441	0.9
69.80483	3.4
69.80892	1.6
71.01379	44.2
72.99319	1.5
73.02950	15.6
82.95381	1.0
83.01373	4.2
85.02953	14.9
86.26587	0.9
87.00870	2.0
89.02429	13.5
93.03462	2.4
95.01384	4.2
96.95980	1.2
97.02931	1.9
97.79008	0.9
99.00867	6.2
101.02441	22.2
113.02441	17.0
115.92062	4.2
119.03470	2.1
119.05016	2.4
125.02438	2.6
131.03496	1.9
132.36781	0.8
134.03693	1.0
135.04477	3.7
137.06052	1.1
143.03477	1.5
149.04543	1.8
159.02916	3.2
161.04541	12.7
163.03970	1.2
163.30063	1.0
173.04556	1.3
173.06071	1.1
173.09523	0.9
179.03423	1.9
187.07573	1.6
191.05592	3.5
201.05438	4.6
201.09222	1.3
202.06355	1.8
229.08711	4.4
230.09404	5.2
231.40230	0.8
233.06285	0.9
315.18109	12.8
409.14948	1.9
410.15692	3.8
435.20212	1.5
447.22308	100.0
448.22659	6.1
472.99405	1.0
479.22662	2.2
489.21704	1.5
507.21997	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	507.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	2.4
59.01379	100.0
61.17836	1.4
61.98835	7.7
71.01380	60.6
72.99304	5.8
73.02946	15.9
75.00845	2.0
78.43622	1.5
78.95909	2.9
83.01373	2.1
85.02955	12.9
87.00846	2.2
89.02443	78.7
93.03462	8.7
95.01408	2.8
95.05033	1.5
96.47116	1.4
98.20661	3.2
99.00870	15.4
99.92619	2.2
101.02441	43.0
107.05029	14.5
113.02453	18.8
115.92081	20.8
116.92826	2.2
119.03503	15.0
119.05026	16.1
123.04512	11.9
125.02449	2.8
131.03516	11.5
133.02939	2.8
134.03778	2.2
135.04529	8.2
143.03474	2.8
149.04559	38.1
151.04010	78.8
155.10754	1.9
161.04564	3.3
163.04016	11.5
164.23422	1.5
167.67014	1.4
173.04648	2.1
173.06039	3.2
179.05537	3.2
182.63133	1.4
187.03972	2.5
187.07666	3.3
191.05626	13.7
193.05019	3.7
201.05553	6.9
201.09167	4.0
202.06320	6.8
206.01917	1.8
221.04579	1.7
228.08069	1.6
229.08723	16.2
230.09457	16.3
251.07675	5.6
267.19641	13.4
293.17535	2.8
311.09915	1.6
311.18610	6.0
336.80566	1.4
385.86011	2.1
409.14917	5.7
410.15811	11.6
440.42590	1.6
447.22296	94.1
448.22739	8.4
463.25476	3.1
507.21744	2.8
507.28506	13.4
508.22687	9.9
515.20947	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.3
60.51225	0.3
61.98817	0.6
68.99803	0.5
69.03442	0.4
70.65208	0.9
78.95904	6.9
80.70361	0.3
93.03460	1.1
96.96965	0.7
104.72827	0.3
105.03460	1.3
107.05029	0.3
108.02168	3.1
109.02945	2.0
113.80025	0.3
114.97981	0.3
117.03441	0.9
119.05009	0.9
119.99199	0.3
121.02951	5.6
122.03732	1.1
123.00922	0.5
123.04499	1.4
124.01641	0.5
133.02953	1.4
134.03740	0.4
135.04512	2.7
136.01663	7.9
137.01468	0.5
137.02454	8.1
143.04974	0.4
146.03641	0.5
147.04506	2.0
149.02420	0.7
149.06175	0.4
150.97971	0.5
151.03976	1.2
152.99586	11.8
158.03792	0.4
159.04529	0.7
160.05261	0.6
161.02408	0.9
161.06088	1.3
162.03165	0.7
163.04007	3.3
163.07674	0.4
165.01939	3.2
171.00626	0.5
173.06117	0.6
175.03983	1.6
176.04744	0.8
177.05566	1.6
179.03465	0.4
182.02231	0.4
187.03911	0.3
189.05513	0.9
191.03519	2.6
192.04305	0.4
205.05006	1.2
227.03152	1.6
279.23276	36.3
280.23605	1.7
283.09738	0.6
298.08478	0.4
299.09302	0.5
304.70013	0.3
311.09241	0.9
312.10040	0.4
313.10626	0.6
326.07785	0.4
327.08701	9.3
328.09442	0.7
341.10202	2.2
342.10904	0.9
353.96960	0.4
355.08206	13.1
356.08978	18.2
357.09354	1.1
358.58813	0.3
369.09698	2.1
369.46179	0.3
370.10580	4.2
371.11325	100.0
372.11642	5.8
415.22418	0.4
492.21707	1.7
507.27789	22.0
508.27289	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	507.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46038	1.8
61.98813	1.9
63.82058	1.7
65.85470	1.6
69.01974	1.8
69.95615	7.9
76.86246	1.8
78.95947	1.7
84.21111	1.6
98.20619	3.8
108.02170	2.0
109.02920	4.9
116.69083	1.6
117.61192	1.5
121.02978	3.6
123.00878	4.5
123.04517	3.6
123.40368	1.9
133.02974	3.4
133.22313	1.7
135.04517	1.7
136.01666	20.4
137.02431	5.3
138.03206	4.0
145.03024	1.8
146.03703	6.8
147.04509	7.4
149.02408	3.7
151.04010	19.4
152.99606	2.7
159.04495	6.8
160.05258	1.7
161.02451	7.2
162.03238	5.6
163.03975	3.7
163.58444	1.8
172.00847	1.6
172.05263	5.6
173.02396	1.7
173.06042	4.2
174.03203	4.8
175.03987	14.5
175.07642	4.9
176.01106	3.0
176.04700	2.4
177.05533	12.5
177.09233	2.8
179.03351	2.4
185.06050	6.7
186.03220	2.5
187.04013	19.5
187.07645	7.6
189.01900	3.2
189.05554	6.0
189.09148	2.4
193.05046	3.7
199.03925	2.1
199.07693	4.0
200.04788	5.0
200.08440	6.4
201.05518	2.7
201.09172	3.6
203.03510	4.2
203.07124	7.3
205.08670	6.1
213.05530	2.1
213.09224	2.6
214.06398	2.3
215.07124	50.1
216.07906	16.4
217.08655	6.9
218.09497	5.3
229.08653	6.1
231.06746	2.0
231.10233	7.8
233.08195	9.5
241.08739	3.4
243.10175	3.3
259.09772	12.0
395.15045	4.6
408.15771	2.8
409.16556	5.7
410.17398	8.4
420.15714	3.5
429.54575	1.9
437.16052	4.2
438.16821	100.0
439.17581	10.6
489.22684	2.4
507.23819	90.7
508.24380	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	507.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
67.01883	1.3
68.99817	1.2
69.09138	0.6
70.96514	0.5
71.01385	1.0
71.01862	1.0
93.03465	0.9
95.01353	0.7
108.02174	1.9
109.02943	3.5
117.03425	1.6
119.05059	1.1
121.02946	2.4
123.00867	3.0
123.04523	3.5
131.04977	0.6
133.02925	0.9
134.03725	1.4
135.04483	2.0
135.42865	0.7
136.00597	1.0
136.01653	18.9
137.02461	5.4
138.03223	1.6
145.02924	2.2
146.03723	10.7
147.03392	0.6
147.04498	4.7
149.02423	2.4
149.06108	1.4
151.04002	19.4
157.06647	0.7
158.03749	1.0
159.04495	7.4
160.05255	2.1
161.02429	5.7
161.06073	2.5
162.03236	6.0
163.03955	2.8
165.04083	0.7
165.05505	0.8
171.04488	1.5
172.05298	3.9
173.02554	0.7
173.06079	4.7
174.03217	29.7
174.06760	3.0
175.04005	13.4
175.07629	14.1
176.04712	2.5
177.05553	10.3
179.03377	0.6
179.07123	0.8
183.04578	0.9
185.06082	2.3
186.03142	0.8
186.06883	2.3
187.04015	6.4
187.07622	10.8
188.04800	3.7
189.05577	16.5
189.09195	2.4
190.06242	2.1
191.07132	1.0
193.05035	3.3
194.05727	0.7
197.06053	1.1
199.03871	1.1
199.07622	1.3
200.04800	5.2
200.08447	1.0
201.05533	6.4
201.09259	0.6
202.06355	2.0
203.03476	0.9
203.07130	23.9
204.04256	0.9
205.05051	1.2
205.08632	1.6
209.06039	0.8
211.04041	0.8
211.07585	1.0
213.05600	2.2
213.09184	1.6
214.06311	1.7
215.07109	31.0
216.07846	5.9
217.05017	1.9
217.08691	4.7
218.09480	2.0
219.06601	0.8
220.07219	0.6
225.05586	0.8
226.06284	1.2
227.07040	1.2
228.07837	0.8
229.08629	6.5
231.06575	2.1
231.10274	1.0
233.08157	13.8
241.08760	1.5
243.10242	1.3
253.08809	0.7
257.08218	1.9
258.08917	0.8
259.09708	3.8
271.09891	0.9
285.11435	0.7
286.11865	0.8
305.08121	0.9
311.09235	2.7
331.09854	0.8
333.11377	0.7
335.12784	1.2
341.10236	0.8
347.12811	1.0
348.10037	0.8
349.10736	2.2
349.14603	1.0
361.14432	0.8
365.13882	1.7
377.13626	0.7
378.14694	0.8
379.11981	1.7
381.13324	0.7
394.14261	0.7
395.15030	1.4
408.15805	1.6
409.12561	8.1
410.12650	0.8
437.16055	2.0
438.16791	100.0
439.17178	10.3
478.19870	1.8
507.23828	74.3
508.24237	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	507.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86734	0.5
61.98838	0.8
67.01919	1.0
68.99834	1.2
69.03482	0.5
71.01419	0.7
71.16790	0.8
71.17122	0.6
79.67867	0.5
82.64809	0.5
93.03463	1.0
108.02222	1.9
109.02943	2.9
117.03492	1.1
121.02976	1.7
122.03734	0.7
123.00887	2.8
123.04534	3.8
133.02931	1.2
134.03786	1.0
135.04575	1.6
136.01662	17.2
137.02480	4.4
138.03288	1.4
143.05045	0.9
145.02997	2.2
146.03741	11.0
147.04529	5.4
149.02484	1.9
149.06163	1.0
151.04013	19.2
157.06447	0.5
158.03751	1.1
159.04507	7.3
160.01735	0.7
160.05328	1.6
161.02444	4.7
161.05994	2.9
162.03220	5.7
163.04013	2.9
171.04601	1.4
172.05280	3.6
173.06090	3.8
174.03212	27.3
174.06827	3.1
175.03998	11.9
175.07634	15.0
176.04764	2.3
177.05559	10.6
179.03545	0.8
179.07166	0.8
179.40746	0.5
185.06085	1.5
186.03299	1.0
186.06868	2.1
187.03981	5.7
187.07625	13.6
187.09225	0.9
188.04771	4.4
189.05562	14.0
189.09187	2.7
190.06233	2.0
191.07086	1.0
193.04994	3.0
196.05414	0.6
197.06053	0.6
199.04105	1.5
199.07695	1.1
200.04802	5.6
201.05566	5.3
201.09213	1.2
202.06348	2.5
203.03551	0.9
203.07129	21.9
204.04254	1.1
204.07639	1.0
205.05098	1.9
205.08702	1.0
208.03690	0.7
211.03976	0.8
212.04832	1.0
213.05598	1.9
213.09280	1.5
214.06406	1.8
215.07121	29.1
216.07877	5.5
217.05070	1.2
217.08667	4.2
218.09454	1.6
219.06599	0.8
220.07295	0.7
225.05577	0.6
226.06398	1.4
227.07117	1.0
228.07784	0.8
229.08688	7.0
231.06689	1.8
231.10291	0.6
232.03847	0.7
233.08167	12.8
239.07286	0.7
239.19212	0.6
241.08719	1.7
242.09654	0.7
243.10350	1.7
257.08209	1.5
258.08972	0.9
259.09750	3.7
271.09665	0.8
285.11255	1.4
287.13116	0.7
304.07443	0.6
305.08197	1.1
309.11569	0.6
311.09296	1.6
317.08096	0.7
319.09720	1.0
320.10397	0.6
331.09833	0.7
333.07904	0.7
333.11459	0.6
335.12912	1.1
341.10379	1.4
347.13116	0.7
348.10117	0.8
349.10791	2.6
349.14578	1.2
364.13113	0.9
365.13815	1.8
379.11752	1.5
379.15829	0.8
394.13965	0.9
395.15207	1.0
408.15717	2.2
409.12695	7.1
420.15387	0.5
423.14078	0.6
437.16217	1.0
438.16815	100.0
439.17184	9.5
463.21545	0.7
478.19958	2.4
507.23846	78.0
508.24185	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	507.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46723	0.2
55.01891	0.5
57.03453	0.5
58.00592	0.7
59.01380	31.4
60.49756	0.2
61.45840	0.2
61.98838	0.9
68.07473	0.3
69.03455	0.6
71.01383	17.4
71.55124	0.3
72.53493	0.3
72.99310	1.4
73.02947	13.9
81.03467	0.4
83.01389	4.8
85.02953	3.2
87.00909	0.7
89.02444	7.1
93.03450	0.6
95.01408	0.8
97.02923	0.3
97.06579	0.2
99.00895	1.1
99.92571	0.5
100.93391	0.3
101.02441	14.3
106.04251	2.8
107.05030	100.0
108.02179	1.9
108.05369	2.0
113.02448	5.7
113.03162	0.5
115.92077	8.7
116.92085	0.3
116.92874	0.5
119.03495	3.2
121.02952	0.3
123.04544	1.2
125.02435	0.6
131.03551	1.1
133.02893	0.2
134.03746	0.3
134.18172	0.3
135.04483	0.3
138.03206	0.3
143.03473	1.2
145.02863	0.2
145.06532	0.3
149.04596	0.8
149.06027	0.4
151.04008	10.9
151.11295	0.7
152.04372	0.3
155.03494	0.4
158.03723	1.0
159.04510	0.5
159.08003	0.3
161.04562	2.6
172.05312	0.9
173.04706	0.4
173.06049	1.8
174.03230	0.4
174.06804	0.6
179.05618	0.9
186.06856	0.6
187.04021	1.4
187.07626	2.8
191.05574	0.7
200.03072	0.2
200.04817	0.9
201.05568	5.8
201.09178	1.6
202.06334	4.2
203.05487	0.4
203.07132	0.7
207.10219	0.3
214.06343	0.3
229.06395	0.5
229.08688	10.4
230.09451	11.0
231.10034	0.7
241.15858	1.2
285.14777	0.4
297.12671	0.2
403.21069	0.7
409.14911	2.5
410.15781	7.7
411.16248	0.5
421.22168	1.5
465.20871	0.4
489.23782	0.3
507.22299	21.7
507.35229	2.2
508.22632	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	507.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25018	0.3
57.03455	0.6
59.01377	5.4
60.99007	0.5
60.99306	7.8
61.98827	4.7
65.40204	0.3
71.01379	2.4
71.54462	0.3
73.02969	1.6
75.55956	0.2
83.01398	0.8
85.02948	2.3
88.26965	0.3
88.98805	57.3
89.02437	0.8
89.99122	0.6
91.05539	0.3
96.96014	0.5
99.00867	0.4
101.02450	2.6
106.04263	0.5
107.05032	1.0
111.00892	0.3
111.04501	0.4
113.02480	1.3
117.03497	0.3
119.05035	0.5
123.04527	0.9
125.02448	0.4
129.01941	0.3
131.03485	0.4
132.78749	0.3
133.02948	0.5
134.03751	3.7
135.04524	90.6
136.04889	2.2
137.02473	0.6
138.03140	0.2
143.59906	0.3
149.02446	0.6
151.03943	0.4
161.02457	0.6
161.04533	0.7
163.04068	0.4
164.29512	0.4
167.03494	1.9
173.04541	0.6
174.03203	0.3
178.02800	0.3
179.03494	100.0
180.03825	2.5
183.10237	0.6
191.05666	0.3
193.05037	1.5
195.03024	0.9
215.14368	0.4
259.13351	0.5
286.01108	0.3
303.16025	0.6
305.81793	0.3
312.83176	0.3
315.01480	0.7
315.18051	0.7
323.07715	1.1
329.03134	0.5
330.03894	1.0
341.08878	1.4
345.06091	2.2
349.18686	0.6
375.20255	0.4
385.40182	0.3
465.27097	0.8
469.73032	0.3
507.11945	1.0
507.18765	16.6
507.27881	3.4
508.19171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23956	0.6
52.94364	0.6
56.90102	0.7
59.01380	6.7
60.99011	0.8
60.99308	15.2
61.16960	0.6
61.93943	0.6
61.98840	3.1
62.98703	0.6
71.01382	1.4
71.54385	0.6
73.02956	2.1
83.01376	1.5
85.02949	1.1
88.98804	100.0
89.02441	0.8
96.13670	0.6
101.02432	2.8
113.02426	1.0
123.04486	1.2
134.03717	2.8
135.04524	46.2
136.04890	1.1
137.02448	0.9
138.46288	0.7
139.11386	0.6
143.08670	0.6
149.02461	0.8
161.04538	0.8
163.04048	0.9
167.03503	1.5
179.03499	52.0
180.03899	1.1
221.16946	0.6
330.03806	1.2
345.06165	2.0
349.18549	0.9
349.88123	0.6
452.22238	0.7
465.27301	1.6
473.04773	0.6
477.68762	0.7
507.11545	1.1
507.18768	10.2
507.27844	3.1
508.18976	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.9
60.99308	14.2
61.98808	3.0
63.84274	1.0
69.75121	1.0
71.01369	4.5
72.51670	0.9
85.02946	3.5
86.77639	1.0
87.00870	1.3
88.98810	100.0
89.02420	1.8
91.01865	1.3
93.03440	2.2
101.02430	2.5
109.02953	1.0
113.02438	2.1
119.01360	2.3
119.04929	1.3
121.02914	3.1
124.01665	45.5
133.02936	1.9
134.03720	6.9
135.04453	2.7
137.02400	4.3
139.04021	66.1
140.04340	1.7
147.00836	3.6
148.01579	1.1
149.02437	10.8
149.06084	1.1
150.03281	1.6
161.02415	4.2
163.03973	2.8
163.05267	1.1
163.40916	1.0
164.04796	9.7
167.03419	1.5
175.00378	24.1
175.03900	1.9
176.00928	3.4
177.01900	3.2
179.03447	1.6
179.07100	1.3
183.10309	1.2
190.02713	58.2
191.03467	6.6
193.05113	8.5
205.05058	59.3
206.05400	2.1
208.03757	1.4
209.04495	2.8
223.04492	1.1
223.06142	13.3
245.69464	1.0
307.08142	1.8
315.01288	2.9
330.03546	2.4
345.05994	4.4
353.08786	2.0
367.10342	60.6
368.10391	3.8
492.12213	1.3
507.14880	37.3
507.27689	3.1
508.15897	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	507.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
59.01373	1.8
64.66046	0.7
71.01383	2.2
72.99310	1.3
75.00870	16.1
79.53532	0.6
79.65326	0.7
85.02957	1.2
87.00879	13.3
89.02437	1.6
93.03460	0.8
98.20915	0.6
99.00874	1.3
101.02445	1.4
105.01924	12.7
107.57729	0.7
115.44448	0.6
117.01966	1.2
129.01950	3.6
147.02992	4.7
152.01086	0.7
153.01967	0.7
165.04034	100.0
166.04404	1.7
185.26704	0.6
191.05592	5.0
229.08325	0.7
238.75980	0.7
276.18817	0.6
315.07260	2.3
316.96725	0.7
489.97906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62345	4.3
57.03473	5.1
59.01377	21.1
60.99305	6.5
61.22652	4.1
61.98843	7.0
70.11450	16.9
71.01382	6.1
81.03420	6.2
82.16769	4.3
83.01396	6.1
85.02953	10.9
88.98811	46.0
93.03464	5.1
95.05033	5.5
98.19913	5.0
121.09117	4.2
123.04527	5.3
125.02464	10.6
134.03693	6.3
135.04533	65.7
137.02464	4.8
167.03477	20.5
168.00638	6.9
179.03493	100.0
180.03970	5.3
183.10321	13.0
199.04799	4.2
205.05037	6.5
209.04442	21.5
239.05643	13.2
329.02945	8.8
345.06149	5.5
345.15610	9.4
381.42538	5.3
387.11047	9.2
496.43219	4.7
507.10587	10.1
507.17783	29.0
507.27731	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	507.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90913	0.7
52.47404	0.9
57.03452	1.2
59.01388	7.8
60.66780	0.7
60.99294	2.1
61.98833	7.9
62.09322	0.6
71.01395	3.3
73.02937	2.6
81.03465	2.8
83.01391	6.2
85.02954	4.9
88.98811	15.0
89.02435	2.4
93.03457	5.7
95.01392	1.4
95.05020	2.2
97.02944	1.5
99.00817	0.6
99.04512	1.0
101.02435	2.5
103.42755	0.7
108.02131	0.7
109.02934	2.6
111.00854	0.9
113.02466	1.6
117.03452	2.0
119.05022	5.7
121.02951	2.0
122.03788	0.6
123.04525	7.8
124.01620	0.8
125.02458	7.6
132.02216	0.6
133.02956	2.4
134.03752	1.8
135.04521	2.7
137.02396	3.8
137.06067	3.2
139.04036	2.1
139.11313	1.4
143.05054	0.9
145.02960	5.6
147.04517	1.4
149.02434	1.4
149.06053	0.8
150.03311	0.8
151.00391	0.7
151.04099	0.6
155.03444	0.9
159.04428	0.9
161.02460	3.2
161.06079	1.5
163.03981	4.1
165.01936	1.0
165.05539	1.7
166.02737	0.6
167.02324	0.6
167.03497	17.5
175.03958	1.4
177.01988	1.3
177.05579	3.2
179.03500	6.4
179.05566	1.4
180.04247	1.3
181.05043	0.7
183.10248	1.2
185.06082	5.7
189.01793	0.8
191.01938	1.2
191.03522	1.6
191.05511	1.1
193.05042	2.4
197.04509	1.8
198.06900	0.8
199.07588	2.0
200.57681	0.7
201.05540	2.1
205.05055	1.1
207.02896	0.7
209.04523	11.1
209.06311	0.8
219.02934	4.2
219.06718	0.6
221.04587	1.0
227.07202	3.5
229.05101	6.2
230.05260	0.7
231.06549	0.9
233.04555	1.1
235.02486	1.6
239.05667	2.7
241.05106	1.5
241.08725	2.9
243.06584	4.9
255.03094	1.4
255.06444	1.4
256.07376	0.8
257.08224	1.0
261.04041	4.5
267.06598	0.9
269.05460	0.9
269.08142	5.2
271.06104	14.3
271.08902	1.3
273.04318	1.2
283.06204	2.9
285.07706	12.1
291.05237	4.4
293.06750	1.6
297.07657	1.3
313.07187	24.6
314.07568	1.9
315.01483	1.0
323.07718	4.5
325.07196	1.9
327.08490	1.2
331.14148	1.6
343.08133	3.4
345.06128	1.4
345.09790	6.0
355.08191	9.3
357.09738	3.3
385.09122	2.2
387.10846	100.0
388.11191	6.6
399.10715	2.9
417.11893	36.6
418.12198	3.1
429.12006	1.8
453.12338	0.8
465.27502	0.8
471.12396	0.8
489.13986	3.4
507.15424	2.9
507.24777	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	507.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50676	0.3
59.01388	1.8
59.91458	0.3
60.99292	1.0
61.98830	24.0
65.00310	1.0
69.59001	0.4
69.80273	1.3
71.01379	0.7
72.99286	0.4
73.02962	0.5
83.01376	0.4
85.00899	0.4
85.02928	1.2
88.98807	6.8
89.02431	0.6
93.03452	0.4
101.02399	0.9
107.05017	0.4
110.00095	1.5
111.00858	0.6
113.02463	0.5
119.04969	0.5
121.02940	0.6
123.04539	0.9
129.01949	0.5
135.04477	0.5
136.98772	1.4
137.99556	1.1
139.00398	3.5
139.04005	1.6
143.04971	0.6
145.02899	0.5
147.01065	0.4
147.04509	0.3
149.01247	0.6
149.02426	6.3
149.99565	1.1
152.01138	0.4
153.01953	0.9
153.06503	0.4
161.02310	0.4
163.04033	0.6
164.96915	0.7
164.98277	9.4
165.99084	4.2
167.03497	1.1
171.04520	1.2
173.02382	0.3
175.00392	2.8
177.99034	1.7
178.99855	0.5
179.03488	0.7
180.00768	0.7
187.03963	1.3
189.01955	1.2
193.98602	0.7
199.03976	2.1
201.01831	0.6
203.03415	0.7
205.98520	0.6
214.02739	0.4
215.03499	2.8
225.01971	0.4
227.03542	0.6
229.01451	0.5
231.03000	1.6
231.10463	0.4
241.01472	0.6
242.01939	0.4
243.02962	4.8
245.00958	0.6
258.01694	0.6
259.02487	2.3
269.00876	0.5
271.02551	2.3
286.01172	1.0
287.01971	13.3
288.02228	0.7
301.03516	1.0
311.07574	0.5
314.00714	0.8
315.01462	67.6
316.01776	3.3
329.02991	1.1
330.03787	60.2
331.04099	3.3
344.05634	0.4
345.06137	100.0
346.06451	5.2
395.66174	0.4
507.11707	1.5
507.18549	0.5
507.28220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97482	0.7
57.03428	0.9
59.01374	5.2
60.99271	0.7
61.98837	4.4
63.61635	0.8
65.00330	0.9
69.69357	4.1
71.01379	2.2
73.02934	0.9
78.82572	0.6
85.02955	5.2
87.00874	0.7
88.98811	8.7
89.02448	1.2
95.01363	0.7
101.02448	1.5
107.01409	0.8
108.02182	0.7
113.02463	1.0
119.05023	4.4
121.02958	1.4
123.04545	0.7
124.42476	0.6
125.02454	2.7
134.03738	1.6
135.04507	1.5
136.01625	0.7
137.02463	1.1
143.48537	0.7
145.02977	0.8
149.02451	1.4
151.00406	3.5
151.04013	0.8
158.03749	0.7
160.01627	1.8
161.02348	0.9
161.04503	0.7
163.04056	3.2
164.98329	1.1
165.05528	0.7
165.99048	1.6
167.03510	1.5
172.01685	2.5
174.03235	1.0
175.04024	2.1
176.98209	0.9
179.03487	1.4
183.10217	2.1
186.03166	0.8
189.01912	0.8
193.05013	1.5
195.06682	0.8
199.04048	0.8
202.02689	5.0
208.03638	0.7
214.02693	3.1
229.01405	0.8
229.04964	0.8
230.02182	6.1
242.02220	2.8
243.02977	1.3
245.04651	1.3
257.00842	1.3
258.01666	16.5
270.01682	1.1
271.02509	0.9
273.03973	1.9
285.00516	0.8
285.03824	1.1
286.01190	33.8
287.01959	6.7
301.03522	25.3
302.03918	3.8
314.00729	9.4
315.01447	12.9
323.07739	1.2
329.03024	82.2
330.03720	17.7
344.05371	11.7
345.06149	22.9
346.06448	1.1
382.10175	0.7
447.22177	0.9
455.63446	0.7
492.09219	5.4
507.11404	100.0
508.11734	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	507.1141
Annotation	syringetin-3-O-galactoside
Peak:m/z	Relative Intensity
57.03456	2.1
59.01372	2.5
61.98812	3.4
65.00332	1.8
68.99854	0.4
70.57434	0.9
70.57800	0.9
71.01386	1.6
79.73579	0.5
83.01380	0.7
84.02163	0.5
85.02947	20.0
86.03234	0.4
87.00876	0.8
88.98784	0.5
93.03476	0.5
95.01395	0.5
101.02436	0.5
103.61765	0.5
110.00098	7.3
111.00874	1.3
117.03445	0.9
119.05002	0.5
121.02925	0.5
123.00922	0.8
123.04516	0.8
125.99601	0.5
129.01962	1.1
134.03793	0.5
135.04509	2.4
136.98814	2.2
137.02452	0.8
137.99608	4.1
139.00346	4.3
139.04088	0.4
145.02969	3.0
147.02911	2.1
148.01672	1.0
149.02446	0.7
149.99594	1.0
153.05573	1.5
161.02431	1.4
161.05986	0.5
163.03983	4.4
164.98262	8.3
165.99069	15.1
166.99829	3.4
167.03479	1.2
168.00594	0.6
175.00346	1.3
177.99071	1.6
178.99860	0.6
179.03464	1.3
179.05661	0.6
183.10272	1.7
189.01797	0.4
191.01973	6.2
192.00601	0.6
193.98567	0.6
194.99390	1.0
195.91296	1.2
198.03247	0.8
199.04037	0.9
202.02687	0.6
203.03474	0.5
205.01514	0.5
205.98444	0.7
209.04492	0.6
213.05554	0.6
214.02736	1.2
215.03441	0.5
226.02692	0.5
227.03429	0.5
229.05023	1.1
230.02190	1.0
231.02942	0.9
242.02180	2.4
243.02960	1.8
255.02927	1.1
256.03473	0.4
257.04501	1.1
258.01651	2.3
259.02490	1.7
261.04019	0.5
269.00925	0.5
270.01605	1.2
271.02451	1.6
271.06256	0.8
273.03867	0.8
279.08783	1.0
283.02515	0.7
285.04071	1.1
286.01248	2.7
287.01959	5.4
301.03552	5.1
302.03775	0.6
313.07028	1.0
314.00793	2.0
315.01462	18.4
315.05167	1.0
316.01828	1.2
329.03012	28.5
330.03769	40.0
331.04099	1.9
344.05338	24.3
345.06116	100.0
346.06451	5.7
357.06125	1.1
387.10928	3.5
417.11990	1.4
471.12640	0.9
507.11392	87.0
508.11813	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	506.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37680	1.7
59.01372	6.8
61.98830	100.0
67.27064	2.0
69.85974	1.5
71.01381	2.2
71.54900	1.7
85.02962	2.1
93.03459	2.5
109.02962	1.6
191.61705	1.8
219.72340	1.5
226.52007	1.7
231.10176	2.0
232.10497	1.7
341.61121	1.6
364.11127	1.6
526.29193	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	506.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92182	3.4
59.17886	3.6
61.98831	100.0
69.39036	18.8
71.00091	3.3
74.02251	3.6
86.86873	2.8
97.42138	2.9
125.31241	3.2
168.41731	3.5
185.81575	3.9
206.86212	3.7
333.24020	3.5
359.18176	4.1
495.81119	3.5
518.66058	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	507.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45894	0.4
57.03440	0.7
59.01382	3.8
60.99294	1.8
61.98828	4.7
65.00314	0.4
66.14745	0.4
67.89939	0.5
69.03467	2.6
69.44541	1.5
69.44965	1.9
71.01399	2.4
71.91888	0.5
72.85110	0.4
73.02917	0.6
75.00876	0.7
79.01888	0.8
81.03450	1.4
83.01389	1.5
83.85498	0.5
85.02951	2.1
85.22635	0.5
87.00916	0.5
88.98805	15.8
89.02451	0.7
93.03468	1.0
95.01366	2.0
95.04971	0.5
97.02953	1.8
97.97100	0.4
99.00869	0.6
99.04531	0.5
101.02455	1.5
102.65209	0.4
107.01389	1.3
107.05021	2.0
108.02169	1.0
109.02940	0.8
111.00882	0.8
113.02428	1.7
117.03500	1.0
119.05015	1.4
121.02934	1.3
123.00880	7.4
123.04499	2.0
124.00208	0.5
124.01667	17.8
125.02454	37.5
126.02804	0.6
129.01897	0.7
132.02168	1.4
133.02998	0.8
134.03740	7.0
135.04530	3.8
137.02449	2.7
139.04002	0.8
139.11209	0.8
145.02887	0.7
149.02423	1.1
149.06061	0.6
149.99594	33.5
151.00369	2.6
155.10855	0.5
160.01682	7.7
160.02928	0.9
161.02423	2.2
161.04500	0.8
163.03954	1.5
165.01889	0.9
165.05516	0.5
167.03502	3.9
168.00647	56.3
169.01395	5.1
173.04539	0.6
175.03993	10.0
177.05606	0.6
179.03496	3.2
179.05547	0.7
183.03040	0.6
183.10258	4.9
191.05554	0.7
193.05013	4.5
209.04555	2.0
221.04390	0.8
222.71559	0.4
239.05577	0.8
286.01175	0.7
301.03391	0.7
313.05771	3.0
327.05051	0.7
329.02972	1.5
330.03665	0.7
331.06720	14.2
332.06802	0.5
337.09216	1.1
344.05072	0.6
345.05820	1.1
345.15494	2.4
489.10278	1.4
497.35199	0.5
507.11392	100.0
508.11786	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	505.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.2
61.98820	1.8
67.40833	0.5
78.95905	24.8
84.49033	0.4
85.00813	0.5
91.01061	0.5
96.96966	1.8
98.20681	1.0
113.92724	0.5
127.07645	0.5
150.97998	0.7
152.99582	42.1
160.84203	1.0
171.00658	2.3
227.03270	5.9
233.22665	0.9
245.04272	2.2
256.93073	0.5
259.20541	0.6
277.21707	100.0
278.22031	5.2
300.02679	0.5
302.05707	0.5
379.81268	0.6
413.20837	1.6
478.32983	0.6
505.25720	86.1
506.26041	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	506.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
58.00595	1.1
59.01378	30.8
60.54303	0.9
61.98840	7.6
70.72015	2.5
71.01384	23.6
72.00906	11.6
72.99296	1.1
79.77601	0.8
83.01402	1.2
85.02941	3.4
86.03777	0.8
86.50046	0.8
87.00871	2.7
89.02441	37.4
89.92902	0.9
91.05556	1.3
101.02444	13.4
103.05542	0.9
113.02445	11.1
119.03498	11.4
119.04932	1.5
125.02386	1.1
131.03470	2.8
143.03459	2.8
147.04518	38.0
148.04781	0.8
154.33430	0.8
161.04573	5.2
164.07156	88.8
165.07526	2.1
179.05615	20.6
341.10864	100.0
342.11121	4.3
410.76590	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.6
61.98831	100.0
70.31290	1.4
71.01392	3.4
73.02945	1.0
81.03482	0.4
83.01385	0.6
85.02960	1.4
88.98812	0.3
89.02467	2.0
98.20007	0.4
99.42912	0.3
101.02438	2.6
112.09111	0.4
113.02470	1.6
119.03562	1.0
119.05039	0.7
120.05402	0.3
123.04542	0.4
128.35513	0.4
137.02510	0.4
151.04047	0.3
162.78511	0.4
163.04002	0.5
164.04466	0.7
167.03485	2.1
189.10921	0.3
189.12860	0.3
191.05632	0.5
255.30188	0.4
310.83228	0.3
327.10886	0.5
443.19189	21.3
444.19638	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	505.257
Annotation	Amoritin
Peak:m/z	Relative Intensity
56.48642	0.3
59.01380	1.9
60.98003	0.3
69.81610	1.5
70.72105	0.3
71.01398	0.5
78.95907	12.0
96.96969	0.8
115.97231	0.3
133.17912	0.3
152.99590	18.5
171.00607	1.7
175.65219	0.3
224.06871	0.7
227.03252	3.3
233.22821	0.4
245.04297	1.7
248.08020	0.4
259.20776	0.4
275.20145	0.7
277.21710	100.0
278.22037	5.3
279.23248	2.9
280.23636	5.5
281.23941	0.4
314.04330	0.4
320.47934	0.4
505.25638	36.7
506.25922	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	505.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63451	0.6
54.50301	0.6
59.01377	24.2
61.98822	1.3
63.10209	0.6
71.01373	6.2
71.54851	1.2
73.02950	2.1
77.35363	0.6
83.01390	1.3
83.05054	1.1
85.02947	4.1
87.00835	1.4
87.91401	0.7
89.02451	3.6
93.03459	3.1
96.95998	2.6
96.98063	0.6
99.00880	1.0
101.02440	5.1
102.98615	0.8
113.02431	3.1
119.03506	1.0
125.02448	0.9
132.04535	1.4
133.03011	1.6
134.03714	1.1
135.04555	0.8
137.02438	1.8
143.74481	0.8
151.03978	0.9
161.04518	2.4
173.04550	2.5
179.03609	1.0
191.05634	5.1
207.06540	0.8
209.08276	3.8
209.11815	100.0
210.12234	4.1
210.13884	1.0
211.13434	0.9
235.08192	3.2
241.70372	0.8
253.09279	11.5
271.02512	1.5
271.57297	0.7
274.41119	0.9
300.02646	1.2
343.28476	1.5
428.23779	0.8
445.20670	1.4
505.09805	1.1
505.20752	2.0
505.33969	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	505.2447
Annotation	Ajugapyrin A
Peak:m/z	Relative Intensity
51.16888	0.4
53.27052	0.4
55.01884	1.6
57.03449	2.9
58.00600	1.7
59.01382	71.0
60.01719	0.5
68.99839	0.4
69.03458	1.2
69.23650	3.7
71.01383	28.5
72.01731	0.4
72.99304	2.8
73.02951	13.2
73.85347	0.4
75.00887	1.5
83.01385	5.5
83.05042	1.1
85.02955	15.4
86.00101	3.2
87.00880	3.2
89.02448	9.6
95.01397	3.2
97.02961	1.2
99.00890	3.4
101.02445	17.4
102.02759	0.4
111.00890	2.8
113.02450	11.8
118.65391	0.5
119.03503	2.8
119.05022	0.8
120.24063	0.4
123.00861	0.7
123.08198	0.6
124.01682	0.5
125.02451	0.8
129.01074	0.4
129.01903	2.5
130.04260	0.4
130.07498	0.4
131.03496	0.7
132.05791	2.3
133.06615	3.1
137.09767	0.5
141.01967	4.6
143.03502	0.7
143.44360	0.4
144.05798	1.3
145.06609	0.6
146.07385	4.9
147.04521	0.5
147.08163	2.9
149.02449	0.4
159.03017	0.4
159.08124	2.4
161.04538	1.1
161.05894	0.4
161.09755	0.5
163.11177	0.5
164.04776	0.9
173.00993	0.5
176.04811	0.7
178.06311	3.0
179.03558	0.7
183.08170	0.9
183.10275	0.7
185.09923	0.4
185.11824	1.6
187.11319	1.1
191.05649	0.5
197.09688	0.4
198.10495	1.0
199.11292	5.9
199.13402	1.7
212.12068	0.5
213.12845	1.6
223.11308	0.9
227.12865	1.1
251.14592	0.7
251.21561	0.4
253.15991	3.9
255.17519	4.4
263.14511	0.7
265.15948	17.0
266.16373	0.9
267.17545	9.5
268.17880	0.5
271.17081	4.2
280.34756	0.4
281.19189	0.8
283.17035	13.5
284.17365	0.9
285.18600	34.6
286.18951	1.7
299.20233	1.4
300.02817	0.8
307.17288	0.5
325.18192	0.4
327.19687	0.8
343.15564	0.5
415.21304	5.2
416.21561	0.6
427.21280	14.7
428.21478	1.4
433.22290	8.9
434.22336	0.7
440.10400	0.4
443.24365	2.8
445.22321	41.3
446.22586	2.8
463.23462	1.9
475.23389	25.8
476.23697	2.4
487.23373	100.0
488.23682	8.7
505.09818	1.3
505.24573	12.9
506.25388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86442	1.0
69.86844	0.8
71.01385	0.7
72.00903	6.0
73.02942	0.6
74.02470	7.3
85.02951	1.3
93.70270	0.3
101.02436	0.4
116.05067	32.9
117.05398	0.8
117.57314	0.4
122.97535	0.3
124.01662	8.2
129.01924	0.4
130.06628	1.2
139.04018	26.6
140.04356	0.5
142.06612	8.6
143.06920	0.8
159.09277	7.3
161.04555	2.3
164.89873	0.4
174.67426	0.4
186.05533	1.7
203.08261	100.0
204.08582	4.0
301.09335	1.4
313.03625	0.4
448.52090	0.4
493.81067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
57.03453	14.7
58.16644	1.4
59.01378	16.3
61.98837	8.0
69.03439	3.0
71.01391	9.9
72.99316	3.0
73.02966	2.4
75.00877	2.5
83.01400	7.5
84.02143	1.5
85.02949	100.0
87.00880	2.9
89.02435	2.7
89.42507	1.3
92.83049	1.3
93.03457	1.8
101.02444	5.9
108.02190	1.8
111.00875	14.6
113.02404	3.1
118.99951	1.5
119.05013	1.7
121.02955	3.0
123.04529	1.5
125.02464	2.4
129.01942	41.2
134.03754	16.2
135.04515	3.0
136.01649	6.5
137.02403	2.5
139.11273	3.6
147.03011	3.6
147.04515	13.5
149.06079	12.1
150.03137	1.7
151.04018	15.9
160.58530	1.3
161.02399	2.2
163.03899	1.4
165.05562	4.9
173.00928	14.5
179.03429	1.9
183.10260	14.9
184.10577	1.4
187.07571	2.0
191.01921	1.8
191.05630	11.0
209.04544	1.8
215.07018	1.8
251.12846	3.4
255.02971	3.1
268.00031	1.5
271.02606	6.3
277.07068	5.1
300.02695	9.5
301.03445	4.3
301.10776	8.7
313.13013	5.0
321.05966	3.3
357.11887	8.6
505.10120	7.7
505.33957	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	505.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.2
57.03454	15.4
59.01383	8.4
65.00344	1.4
67.01894	1.3
69.74513	1.8
69.74921	3.9
71.01382	3.9
71.56480	1.0
72.03848	1.0
73.02953	1.6
81.03467	11.6
83.01385	15.4
84.02177	1.6
85.02955	86.6
86.03336	1.6
87.00884	2.1
89.02442	1.4
93.03440	1.3
97.02966	1.8
99.04526	6.3
101.02428	1.2
108.02174	2.2
111.00894	9.6
118.98109	2.0
119.05054	13.2
120.99628	1.0
121.02979	1.4
123.04536	31.9
125.02443	14.9
129.01958	33.5
134.03758	1.2
137.02458	3.0
139.81433	1.1
145.02988	3.1
147.03000	12.9
151.00383	1.7
157.05315	1.9
163.04039	15.8
166.02673	2.3
167.03497	86.4
168.03893	2.2
172.07709	2.1
173.00908	9.4
175.08803	4.0
179.03459	5.9
179.76561	1.2
181.05045	3.7
185.07213	3.9
187.08821	1.3
189.49870	1.2
191.01996	13.9
191.03616	1.6
197.04756	1.8
198.05592	1.2
199.08864	1.4
201.10260	3.4
207.06709	1.9
209.02950	2.9
209.04596	4.9
210.09319	1.2
212.07155	5.4
215.12094	1.3
217.09868	1.6
223.06100	3.9
224.07104	5.5
225.07788	1.7
227.08305	2.0
227.11903	3.0
229.07597	0.8
229.09790	23.4
235.06075	6.5
239.05675	2.1
239.11745	1.2
240.06654	1.8
241.09831	18.9
245.12975	3.4
253.09773	1.5
257.12973	1.4
265.07178	17.9
269.12933	6.4
271.10901	6.8
283.10883	6.6
293.06644	1.6
295.08282	10.2
295.11197	1.9
297.06070	5.9
311.14014	2.6
313.11978	9.0
314.12570	1.3
320.17877	1.2
323.13986	1.7
325.09433	3.5
337.05618	2.6
337.11966	4.6
338.05820	1.2
341.05133	3.4
346.85306	1.2
353.11450	9.0
354.11792	1.4
355.06668	3.0
355.12973	29.1
356.13116	1.4
359.06204	4.6
367.13037	31.3
368.13196	2.1
379.12991	5.1
385.11395	2.4
451.15121	1.3
469.15915	2.2
487.17160	14.9
488.17606	1.3
505.18307	100.0
506.18661	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	505.1562
Annotation	Allobetonicoside
Peak:m/z	Relative Intensity
59.01380	3.4
61.98825	0.8
62.90578	0.1
65.00314	0.3
69.44884	0.8
69.45287	0.2
71.01385	1.3
72.99287	0.1
73.02947	0.4
73.44129	0.1
83.01389	0.2
84.96573	0.1
85.02956	0.7
87.00898	0.1
89.02448	0.6
91.02520	0.1
93.03427	0.1
95.01395	0.7
97.02913	0.2
97.51456	0.1
101.02445	0.7
105.03460	0.2
111.00879	0.2
113.02448	0.5
114.05585	0.2
119.03512	0.2
121.02940	0.1
122.03710	0.2
123.00885	0.3
124.01668	0.7
129.01924	0.3
134.03723	0.1
137.02434	0.5
137.06110	0.2
138.03220	3.9
139.04021	2.3
140.04387	0.1
147.03023	0.1
151.00363	0.3
161.04570	0.3
165.01912	1.1
165.05573	0.2
166.02707	34.7
167.03023	1.0
179.03456	0.2
179.05669	0.1
181.05057	100.0
182.05376	3.3
188.04800	0.1
191.05685	0.2
198.01662	0.3
203.07153	0.3
218.21480	0.1
222.40364	0.1
223.06084	1.2
247.06265	0.1
265.07120	0.2
268.64133	0.1
295.37109	0.1
310.27490	0.1
315.25000	0.1
325.09213	0.2
334.59970	0.1
343.10602	0.5
365.43124	0.2
385.11423	0.3
389.21820	0.1
461.20102	0.2
504.33566	0.1
505.15646	7.3
506.16135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1355
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
57.03455	0.6
59.01377	2.5
61.98829	4.6
68.73129	0.4
69.52855	2.6
71.01382	2.3
73.02949	0.6
76.00044	0.4
79.05540	4.7
81.03465	3.8
83.01397	0.5
85.02955	2.6
88.98822	0.4
93.03458	1.0
97.03049	0.3
98.19897	0.8
98.65141	0.4
100.51512	0.4
101.02442	0.6
105.03466	11.4
109.02992	0.4
111.00916	0.4
113.02454	0.6
117.03491	0.7
121.02932	0.9
121.14624	0.4
122.03768	1.3
123.04533	42.9
124.04855	0.9
129.01949	0.5
132.02174	9.7
132.03175	0.6
133.02986	2.9
134.03754	13.8
135.04570	2.8
137.02455	1.6
137.06104	0.9
147.04535	0.9
149.02446	36.5
149.06068	2.2
150.02802	0.9
151.00392	0.4
157.95494	0.3
160.01668	45.7
161.02451	9.0
163.04015	0.6
165.05554	0.7
166.02751	1.2
167.03503	19.9
168.03879	0.4
175.04007	46.2
176.04430	1.6
177.05589	0.7
178.02747	0.8
179.03510	2.9
181.05009	0.4
187.00398	1.3
189.05557	0.5
191.03529	0.8
191.07167	0.5
193.05040	8.6
201.11360	0.6
209.04602	0.7
221.04422	1.2
231.97839	0.4
233.84856	0.4
263.05524	0.5
300.02829	1.1
301.03528	1.3
323.07736	6.0
327.62900	0.4
329.08722	1.0
337.09363	5.8
343.04486	0.5
445.24817	0.6
461.14719	2.7
463.25452	1.0
473.10782	1.9
505.13559	100.0
505.26193	3.2
506.13971	7.8
517.63568	0.5
529.95282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.135
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
52.37478	0.4
59.01380	2.5
61.98821	2.5
67.63060	0.4
69.54873	3.0
71.01364	1.9
73.02928	0.7
79.05531	4.7
81.03458	2.9
83.01369	0.5
85.02943	2.0
85.91236	0.4
87.00871	0.6
93.03472	0.6
99.00833	0.4
101.02448	1.0
105.03459	10.8
105.04182	0.5
111.00867	0.5
113.02419	0.9
117.03452	1.0
121.02962	0.6
122.03739	1.6
123.04523	46.5
124.04855	1.3
132.01228	0.8
132.02173	10.6
133.02959	4.0
134.03740	12.7
135.04590	2.4
137.02419	1.7
137.06076	0.8
147.03098	0.5
147.04524	1.3
149.02429	37.9
149.06021	2.1
150.02817	1.0
151.03958	0.5
160.01653	47.5
161.02419	8.3
162.31239	0.4
162.37527	0.5
163.03999	0.5
165.05547	0.8
166.02695	0.6
167.03481	19.2
168.03780	0.4
175.03987	45.8
176.04419	1.4
178.02747	0.6
179.03499	2.7
181.05075	0.5
187.00392	1.6
191.03491	0.6
193.05026	9.1
193.06743	0.5
202.02756	0.6
209.04556	0.8
221.04550	0.7
255.03014	0.5
271.02524	0.8
300.02692	1.1
301.03305	1.0
323.07693	6.9
324.07855	0.5
329.08820	0.6
337.09286	5.9
338.09335	0.6
445.25027	0.7
461.14352	2.6
463.25577	1.1
473.10822	1.7
505.13519	100.0
505.26239	2.7
506.13806	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	505.0991
Annotation	Kunzeachromone C
Peak:m/z	Relative Intensity
59.01381	75.9
61.98822	4.2
69.92600	4.9
71.01385	1.5
83.01392	4.3
85.02935	3.6
93.03485	1.5
101.02458	2.3
123.04523	2.6
125.02409	1.2
133.03000	1.3
135.04564	2.8
136.01584	1.3
149.02446	1.6
151.00378	1.8
151.03996	1.5
161.02443	1.5
167.03503	6.3
173.04533	2.0
173.51512	1.2
191.03535	3.3
191.05548	2.3
193.01413	11.5
255.03178	1.5
269.04611	2.7
271.02457	4.3
272.03326	1.9
292.96652	1.3
297.04111	1.8
299.01941	2.0
300.02991	6.0
301.03537	2.2
313.03510	2.7
313.06992	2.0
328.05920	2.5
341.02966	15.4
343.04517	4.7
355.04633	3.9
357.06134	3.4
367.04895	2.1
369.02560	2.9
385.05652	45.5
386.06088	2.6
388.04230	1.9
415.06671	11.1
475.17789	2.3
505.09909	100.0
505.18613	5.2
505.34128	2.2
506.10162	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	505.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24681	0.5
59.01389	4.5
59.29364	0.6
61.98826	1.9
70.65446	1.5
78.69086	0.7
86.78438	0.5
90.60686	0.6
121.02962	100.0
122.03307	2.0
152.99588	1.4
181.06531	3.0
197.06084	2.5
207.04463	1.2
223.03770	0.8
225.05594	2.0
251.07108	0.7
255.03131	0.8
300.02792	1.1
301.08612	0.7
313.07187	4.2
322.56665	0.6
340.35068	0.7
357.06241	1.3
383.07681	1.7
417.09824	10.7
503.32953	0.6
505.11459	11.6
505.31781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37478	0.4
59.01380	2.5
61.98821	2.5
67.63060	0.4
69.54873	3.0
71.01364	1.9
73.02928	0.7
79.05531	4.7
81.03458	2.9
83.01369	0.5
85.02943	2.0
85.91236	0.4
87.00871	0.6
93.03472	0.6
99.00833	0.4
101.02448	1.0
105.03459	10.8
105.04182	0.5
111.00867	0.5
113.02419	0.9
117.03452	1.0
121.02962	0.6
122.03739	1.6
123.04523	46.5
124.04855	1.3
132.01228	0.8
132.02173	10.6
133.02959	4.0
134.03740	12.7
135.04590	2.4
137.02419	1.7
137.06076	0.8
147.03098	0.5
147.04524	1.3
149.02429	37.9
149.06021	2.1
150.02817	1.0
151.03958	0.5
160.01653	47.5
161.02419	8.3
162.31239	0.4
162.37527	0.5
163.03999	0.5
165.05547	0.8
166.02695	0.6
167.03481	19.2
168.03780	0.4
175.03987	45.8
176.04419	1.4
178.02747	0.6
179.03499	2.7
181.05075	0.5
187.00392	1.6
191.03491	0.6
193.05026	9.1
193.06743	0.5
202.02756	0.6
209.04556	0.8
221.04550	0.7
255.03014	0.5
271.02524	0.8
300.02692	1.1
301.03305	1.0
323.07693	6.9
324.07855	0.5
329.08820	0.6
337.09286	5.9
338.09335	0.6
445.25027	0.7
461.14352	2.6
463.25577	1.1
473.10822	1.7
505.13519	100.0
505.26239	2.7
506.13806	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	505.0985
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
59.01377	0.9
62.22332	0.2
63.02398	0.4
65.00331	0.7
69.42742	0.6
69.43164	0.7
71.01357	0.2
83.01389	0.5
89.02435	0.2
91.01906	0.4
93.03461	0.3
98.19890	0.3
107.01388	2.3
108.02158	1.6
108.48524	0.2
109.02954	1.0
119.01411	0.2
121.02953	1.3
123.00820	0.2
125.02419	0.3
135.00891	1.0
137.02435	0.3
137.41515	0.2
145.03015	0.2
148.01656	1.5
149.02437	0.3
151.00362	7.4
151.01576	0.4
152.00746	0.2
159.04492	0.2
161.02504	0.2
163.00380	1.9
164.01094	0.7
169.01398	0.3
175.03984	0.3
178.99850	4.0
181.05087	0.3
183.04485	0.5
187.03954	0.5
192.00636	0.5
198.03143	0.3
199.03964	0.9
201.05571	0.3
203.03474	0.5
211.03986	1.0
212.04784	0.2
213.01880	0.3
215.03432	0.6
216.04207	0.5
226.02684	1.8
227.03476	2.7
229.01289	0.3
229.04942	0.5
243.02957	10.6
244.03607	0.7
245.04497	1.0
254.02228	1.9
255.02965	25.6
256.03323	1.3
257.04471	0.2
271.02454	56.6
272.02942	3.9
273.03979	0.9
283.02435	0.9
299.01895	1.1
300.02725	100.0
301.03433	30.3
302.03897	1.4
313.03333	0.2
330.40976	0.2
338.10443	0.2
343.04596	0.5
408.65314	0.2
427.88202	0.2
461.20184	0.3
463.08835	4.5
464.08939	0.5
505.09839	61.9
506.10126	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	505.099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
56.26778	0.6
57.03451	14.0
59.01379	10.5
61.98829	1.6
67.01925	0.6
69.38058	5.4
71.01383	3.6
72.99310	0.8
73.02947	2.2
75.00862	2.4
80.81158	0.6
81.03445	0.7
83.01389	6.5
84.02177	1.1
85.02952	100.0
87.00878	1.1
89.02453	1.3
91.01910	3.9
93.03468	0.8
101.02451	2.3
103.00381	2.6
108.02166	1.3
111.00890	12.3
117.03462	1.9
119.05031	13.7
123.04532	12.1
125.02422	1.0
128.59187	0.6
129.01949	43.8
131.03555	0.7
137.02435	1.0
145.02956	10.1
147.02994	9.5
147.04219	0.9
149.02432	0.8
152.01169	2.1
163.04013	11.8
164.04713	0.9
167.03511	33.1
168.03853	1.0
173.00922	12.4
179.03506	0.9
179.07156	1.5
181.05019	0.9
185.22543	0.7
191.01990	12.6
194.05896	1.6
207.06694	1.0
209.03020	2.0
209.08182	4.8
229.09901	0.9
231.06587	1.8
235.06146	3.8
241.09830	1.2
293.06735	2.5
297.06192	2.1
337.05618	2.5
341.05173	5.3
353.11810	0.9
355.06711	1.5
359.06158	6.1
367.13129	1.1
445.17203	1.0
505.18900	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	504.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.4
61.98798	0.1
62.23902	0.0
62.96408	0.0
69.59630	0.0
71.01372	0.0
71.58150	0.0
75.12151	0.0
78.95899	5.8
80.00965	0.0
80.45670	0.0
83.05022	0.1
83.73890	0.0
86.03219	0.0
96.96986	0.1
139.00902	0.0
152.99590	1.0
168.04308	1.7
171.00610	0.1
224.06905	1.2
227.03407	0.1
232.21237	0.1
242.07977	2.8
243.21335	0.0
245.04289	0.1
246.04674	0.0
261.22235	0.4
277.21722	1.3
279.23257	100.0
280.23596	5.8
282.35410	0.0
304.79630	0.1
504.30927	11.6
505.25363	0.5
505.31430	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0984
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.14554	0.2
53.49590	0.2
59.01381	3.8
61.98819	0.3
63.02398	0.3
63.69991	0.2
65.00319	0.9
67.18183	0.2
71.01383	0.8
71.54726	0.2
73.02943	0.4
83.01374	0.6
85.02950	0.4
89.02448	0.3
93.03460	0.5
101.02437	0.6
107.01406	2.0
108.02187	1.4
109.02943	0.9
113.02444	0.3
113.62113	0.2
119.01372	0.4
121.02947	1.6
125.02465	0.4
135.00862	1.0
137.02451	0.3
148.01669	1.7
149.02432	0.4
151.00366	8.3
151.01593	0.4
152.00883	0.3
159.04478	0.3
160.01654	0.3
163.00391	1.6
163.03891	0.2
164.01131	0.7
165.01920	0.2
169.01506	0.3
171.04539	0.2
173.04401	0.2
173.05945	0.3
175.03946	0.5
178.98279	0.2
178.99860	4.0
183.04533	0.4
187.03961	0.6
189.01907	0.3
191.00002	0.3
191.05621	0.6
192.00522	0.3
198.03189	0.3
199.03946	0.7
201.05609	0.5
203.03506	0.6
211.03979	1.2
215.03528	0.6
216.04323	0.5
226.02689	1.2
227.03459	2.8
228.04056	0.3
229.05003	0.7
239.03384	0.3
243.02954	9.8
244.03438	0.7
245.04515	0.6
254.02252	2.0
255.02971	26.5
256.03482	1.2
257.04584	0.2
271.02463	53.8
272.02966	3.8
273.04010	0.9
283.02444	0.7
297.11124	0.3
299.02008	1.8
300.02731	100.0
301.03458	32.7
302.03836	1.5
343.11426	0.3
421.07111	0.2
445.07538	0.4
461.14066	0.3
463.08771	4.4
464.08926	0.4
487.19455	0.2
505.09857	60.2
506.10135	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	504.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.58458	9.2
61.98830	38.2
64.40286	9.7
67.13002	11.2
69.22389	95.0
71.01382	24.9
83.01350	12.2
83.72625	11.0
85.02952	63.1
89.02446	15.6
98.20609	22.4
107.61298	12.5
121.02911	12.1
128.77489	11.7
129.01958	23.1
135.04489	17.6
179.03503	41.6
191.05608	44.5
194.05785	28.5
209.04950	9.9
255.02969	12.0
271.02386	13.6
300.02609	18.2
306.13358	35.9
337.71039	10.8
400.21341	14.2
407.95474	10.4
408.71085	12.3
504.19049	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02937	0.9
50.38512	0.8
57.03457	4.3
59.01385	7.6
59.01672	1.4
61.98837	5.0
69.47562	4.3
69.47978	1.9
71.01381	4.5
73.02967	0.9
73.03791	0.9
78.95921	1.9
83.01375	1.9
85.02945	12.3
88.98847	1.1
93.03455	1.7
94.75111	1.1
95.01355	1.2
96.04552	0.9
96.96008	1.6
98.06129	2.3
98.19928	2.0
101.02464	1.6
106.51204	0.9
108.02214	1.0
109.02931	1.0
109.47035	0.8
109.97929	0.9
111.00869	2.0
113.02469	1.3
114.05614	6.8
115.81989	1.0
121.02974	1.5
123.00836	1.3
129.01924	2.9
130.08723	4.5
133.02951	2.6
134.03450	0.8
136.01691	6.2
137.02440	1.9
140.07153	1.0
147.04572	1.2
149.02417	2.1
151.00404	2.3
151.03990	7.4
156.09142	1.7
156.10304	20.3
159.04430	1.5
161.02417	1.9
162.03152	1.4
163.00581	1.0
163.04070	1.2
164.01167	10.1
164.04747	1.4
165.01892	0.9
166.02699	1.8
169.06575	1.0
173.00937	1.1
173.04527	1.6
175.03932	1.4
177.01944	2.6
179.03500	100.0
179.06853	2.2
180.03844	3.6
181.05019	2.2
185.05943	1.3
189.05554	1.1
191.03477	0.8
191.05630	2.6
193.04999	1.2
194.05840	97.2
195.06313	4.5
196.05338	1.0
197.06041	2.9
199.04057	1.2
199.07697	2.8
205.05009	1.4
209.04549	2.6
213.05582	5.3
214.06387	7.5
215.07141	1.8
224.06793	3.6
229.08679	30.6
230.09181	2.1
244.11073	10.6
255.02928	1.2
255.10295	4.5
269.11969	3.2
270.12625	4.0
274.01266	1.0
285.14920	13.3
300.02658	1.4
311.12988	1.3
320.15155	1.3
370.16434	4.5
385.05722	2.0
385.18930	6.3
400.21280	57.6
401.21680	3.9
415.06732	2.7
427.21454	1.2
430.22214	6.5
432.80417	1.0
445.22302	1.5
456.24225	1.0
474.24933	3.2
475.24033	1.0
504.26083	3.3
505.10245	5.0
505.33539	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	504.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.8
61.98829	100.0
70.60374	1.5
82.63947	0.4
106.16917	0.5
175.47160	0.5
221.18262	0.5
246.43073	0.5
279.23322	1.5
504.27429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94029	0.3
52.95093	0.3
57.03440	0.4
58.00572	0.3
59.01380	11.7
60.01707	0.4
61.98829	100.0
67.01877	0.5
71.01383	4.9
71.09280	0.6
71.96037	0.4
73.02950	1.5
73.50792	0.4
83.01381	0.8
85.02953	1.7
87.00895	1.3
89.02436	4.1
89.02845	0.3
93.03468	1.2
95.01382	0.6
96.95993	0.8
97.06585	0.6
99.00891	1.2
101.02441	2.8
107.05039	0.6
109.02931	0.5
111.04488	0.3
113.02438	2.5
119.03539	0.6
119.05051	0.4
119.13003	0.3
121.02959	0.4
123.04537	0.8
125.02428	0.4
131.03529	0.7
131.05067	0.3
132.04550	1.2
135.04567	1.3
137.02446	0.7
143.03481	0.4
149.02432	0.4
149.04546	4.4
150.04890	0.4
151.04025	0.6
161.04546	0.8
163.03999	6.5
173.04613	0.9
177.02020	0.4
178.06361	6.7
185.07182	1.2
187.07581	0.4
191.05614	3.2
193.08681	11.6
193.10365	0.6
212.08286	0.4
223.13074	0.4
231.10374	0.4
283.13574	0.5
284.13760	0.7
298.15564	0.9
300.02679	0.4
312.13248	0.6
327.16040	0.5
328.16290	0.5
342.11102	0.6
342.14615	1.2
354.14450	0.7
359.28021	0.5
372.15427	1.5
383.25131	0.4
400.24301	0.9
416.11923	0.6
430.30347	0.4
460.20740	0.8
461.23410	0.4
475.17966	0.6
486.18680	4.0
503.32480	0.9
504.19611	4.8
504.25931	0.5
504.32544	1.1
505.19336	0.8
505.34073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
59.01376	1.8
61.50741	0.3
61.98829	100.0
70.85071	0.3
70.85398	0.5
71.01388	0.9
74.91123	0.2
83.55016	0.2
85.02955	0.7
93.03453	2.9
101.02416	0.5
111.00879	0.4
112.14565	0.2
113.02459	0.3
120.17504	0.2
121.02976	0.4
130.08751	0.9
131.09137	0.3
135.04529	0.7
137.02448	5.0
139.07651	0.8
163.04015	6.9
167.07104	0.5
168.07390	0.3
178.06352	7.6
183.10295	1.2
184.10664	0.3
193.08687	12.8
194.09079	0.5
197.11827	0.5
205.04987	0.3
225.11409	0.7
385.09607	0.5
484.51147	0.3
503.25287	1.6
504.25504	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	504.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31108	0.4
59.01379	29.8
60.01710	2.1
61.01819	0.5
61.98830	100.0
70.78624	0.4
71.28426	0.6
82.55921	0.4
130.45857	0.4
152.66449	0.4
174.99245	8.2
175.99619	0.9
201.02583	3.4
202.02716	4.7
203.02292	5.7
204.00012	8.0
204.02109	0.5
204.02817	0.6
205.00078	0.6
217.00299	30.1
218.00638	8.9
219.00749	1.5
219.97754	54.1
220.99759	2.2
251.66965	0.4
317.00211	0.5
346.01099	1.0
359.01373	2.7
360.01675	9.5
361.01324	10.6
361.98645	28.2
362.99927	1.9
415.51370	0.4
466.83063	0.5
503.96637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11544	0.5
55.01881	0.7
57.03457	2.8
58.00591	3.1
59.01383	22.0
61.98833	35.6
62.80309	0.5
67.72433	0.7
69.26173	3.4
69.26598	1.5
71.01389	11.6
71.05026	0.8
72.99287	1.8
73.02956	3.2
73.03298	0.6
75.00857	1.1
83.01389	4.5
84.02206	0.7
85.02943	5.8
87.00865	0.6
87.04519	0.8
89.02451	2.5
93.03462	1.4
99.00861	1.2
101.02439	4.1
105.01939	0.7
111.00896	8.4
111.08165	1.6
113.02454	1.6
121.02959	12.4
121.06592	1.2
123.08155	1.1
125.02467	1.8
125.06059	4.0
129.01965	3.0
130.08713	1.7
134.03732	2.8
135.04533	0.6
139.07658	34.3
140.08026	1.0
143.03514	0.8
149.06108	1.3
153.09186	0.8
160.01698	1.9
161.02432	0.6
161.04570	0.9
163.04033	2.4
167.07129	21.6
168.07428	0.6
175.04041	3.1
178.06343	2.0
179.05634	0.6
183.10268	35.0
184.10594	1.1
187.02457	0.9
189.05611	0.6
191.05582	2.3
193.05103	2.0
193.08684	6.3
197.11819	17.1
203.86813	0.6
205.03607	1.1
218.05792	0.7
223.06152	0.8
225.11319	24.8
226.11847	0.7
237.11404	0.8
255.12364	2.7
261.07645	2.5
265.07251	3.7
279.12384	0.7
285.13269	1.2
327.07089	1.1
341.09369	0.7
459.22495	0.8
503.25037	100.0
504.25256	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79768	0.4
54.47350	0.4
55.01868	1.0
56.39706	0.4
57.03452	2.9
58.00587	2.4
59.01379	20.4
61.98823	0.5
69.03459	5.6
69.39961	2.4
71.01384	14.1
71.05021	1.8
72.99303	1.4
73.02953	2.1
75.00872	1.0
80.14102	0.4
81.07077	1.1
83.01383	1.5
85.02953	4.6
86.03719	1.2
87.00867	0.6
87.04513	1.4
89.02439	2.8
93.03458	1.4
93.07102	4.0
95.01388	0.4
95.05017	0.8
97.02962	0.5
97.06583	1.2
99.00892	1.0
99.08141	1.5
101.02433	4.6
107.05019	0.8
109.06596	3.8
111.00886	0.7
111.04529	0.5
111.08164	4.1
113.02451	1.7
113.09717	1.2
122.03757	0.6
123.04529	0.5
123.08151	3.1
125.02448	0.6
125.06089	2.2
127.07648	17.5
133.10278	0.5
135.04521	0.6
137.02449	0.6
137.06088	15.3
139.11285	6.1
147.04532	0.5
151.11334	0.9
152.54095	0.4
155.07135	13.1
156.07413	0.6
161.04591	0.6
163.11295	0.7
165.09209	3.6
167.03511	0.5
176.04727	0.8
179.10791	1.0
181.12294	0.8
183.10251	23.4
184.10648	1.1
191.05644	2.1
197.11821	15.2
198.12216	0.6
207.10231	2.0
223.06097	0.6
225.11316	30.1
226.11606	1.0
255.12386	1.6
285.13474	0.8
337.15015	0.6
341.10287	3.9
399.23718	0.7
417.24768	0.8
467.16010	0.5
503.24976	100.0
504.25436	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	503.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.6
57.03442	4.6
59.01384	100.0
61.88654	1.0
61.98835	15.5
65.00326	1.2
66.00659	1.0
67.01897	4.6
69.03475	1.7
71.01382	18.5
71.54733	1.1
72.99323	2.9
73.02961	6.5
75.00865	5.5
79.45086	1.0
81.03482	1.2
83.01390	3.9
84.95118	1.3
85.02958	34.5
87.00887	3.3
87.04527	3.8
89.02447	6.8
93.03461	22.8
94.03807	1.0
95.01404	3.0
96.96012	3.2
99.00909	2.8
99.04539	1.4
101.02459	8.6
108.02175	1.3
109.02988	1.5
111.00897	4.6
111.04512	4.5
113.02455	9.9
117.03493	1.3
119.03586	1.1
119.05048	1.4
121.02981	3.8
123.04536	2.5
125.02451	3.2
129.01942	7.2
133.02930	2.0
134.03745	9.7
135.03014	11.6
135.04546	21.5
136.98833	1.4
137.02435	6.8
140.01183	1.0
143.03503	2.0
145.02965	2.5
145.65721	1.1
147.02991	3.8
147.04498	1.5
149.02461	13.9
149.05991	1.9
151.00406	1.0
151.04016	3.5
153.53423	0.9
155.03481	3.4
161.02490	6.9
161.04565	4.5
164.04784	9.7
164.98279	6.1
165.04071	4.4
165.98630	1.0
167.03535	2.4
168.00647	3.9
172.00002	2.3
173.01006	1.7
173.04555	55.8
174.04869	1.8
175.03935	1.6
178.02757	1.3
179.03523	15.1
179.05321	1.5
179.05608	1.4
179.07103	2.4
180.00615	1.4
180.97742	3.0
181.98187	1.0
183.02998	3.3
183.10223	1.0
191.02048	7.4
191.05624	51.0
193.05055	8.3
196.00151	1.1
211.02477	18.2
212.02803	9.8
223.06120	22.5
238.99541	2.3
239.01974	39.3
240.02328	25.4
241.01538	2.4
269.04602	2.2
270.01697	2.1
271.02496	2.6
277.16531	1.1
285.07651	3.1
297.06226	4.2
298.01279	1.8
298.04797	3.8
299.01834	2.5
299.05258	1.5
329.06754	8.5
329.13840	1.1
341.08734	10.2
365.19989	1.2
371.14868	1.7
371.24567	2.8
371.56888	1.3
399.23853	15.2
411.59164	1.1
417.10788	1.0
417.25034	4.1
459.22061	1.8
503.07477	1.9
503.12036	5.2
503.20892	9.0
503.32428	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	503.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03994	0.8
55.01880	1.2
56.11553	0.8
57.03440	1.3
59.01377	100.0
61.98826	5.0
70.92576	1.8
71.01379	11.7
73.02943	3.8
80.71055	0.7
83.01396	2.5
85.02949	7.4
87.00866	1.2
87.04523	1.6
89.02451	5.1
95.01389	2.4
95.64985	0.9
99.00857	1.9
101.02428	8.5
101.06107	2.1
111.00885	2.5
113.02432	6.0
113.24075	0.8
119.03476	1.8
121.02972	3.5
125.02380	1.4
131.60483	0.8
134.03683	1.1
143.03474	1.0
160.01686	1.7
161.04564	3.6
175.03993	1.3
179.05617	1.2
190.99223	1.0
191.05608	1.5
255.19630	1.2
297.20624	1.7
299.01907	1.6
305.17599	1.1
340.70181	0.9
399.23819	11.8
417.24982	15.1
418.25031	1.6
433.62070	1.0
459.26157	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	503.1924
Annotation	Terretonin B
Peak:m/z	Relative Intensity
57.03445	1.7
57.52901	0.7
59.01380	25.5
65.31825	0.7
67.01884	1.1
69.03453	2.0
71.01381	8.0
71.05027	0.8
71.54455	0.9
73.02941	2.9
77.60564	0.7
81.03448	2.0
81.11507	0.7
83.01419	1.0
84.02176	1.1
85.02949	3.6
87.00881	0.8
87.04510	0.9
89.02446	3.1
93.03449	4.4
94.67882	0.8
95.01394	4.6
96.95983	0.9
97.02933	1.2
97.06591	2.3
99.00861	0.9
101.02455	5.1
107.05030	5.0
108.02148	1.9
109.02943	3.9
109.06565	2.5
111.00857	2.1
113.02440	3.3
116.92904	0.7
119.05013	2.4
121.02966	4.6
121.06568	2.3
122.03776	1.0
123.00880	3.0
123.04527	6.9
123.08147	1.4
123.51775	0.8
124.05309	1.1
125.02454	2.0
133.06578	1.9
135.04509	2.7
136.01651	3.3
137.02457	1.6
137.06068	1.0
139.00349	3.2
139.07645	0.7
143.05093	1.0
145.02974	1.0
145.06546	1.0
146.03725	0.7
147.04434	1.6
147.08189	1.5
149.02454	1.8
149.04578	1.0
149.06078	4.9
150.03168	0.8
151.04005	6.8
151.07639	5.5
153.01936	2.8
158.03558	0.8
159.04498	1.8
160.05310	2.0
161.02391	2.7
161.04678	1.4
161.06071	3.7
163.04007	1.1
163.07651	1.1
165.01921	2.2
165.05588	1.8
173.04703	1.0
173.05977	3.6
175.04013	2.2
175.07568	3.8
176.04741	2.1
177.05560	4.0
179.07048	0.9
185.06230	0.8
189.05592	1.8
189.09126	0.8
190.06490	1.2
191.03635	0.8
191.05586	4.1
191.07100	1.8
194.02116	0.7
199.03886	0.8
200.08461	0.8
201.05540	1.3
202.09764	0.8
203.07152	1.3
212.07652	0.8
213.09166	1.5
215.07137	1.0
219.06552	1.1
225.09254	1.1
229.08607	0.8
231.10281	1.5
233.08282	1.1
253.08751	1.2
255.16002	0.9
283.09320	0.9
288.00653	0.8
293.08319	0.8
311.09247	4.5
323.09189	1.3
331.77448	0.7
339.08722	1.2
341.10278	15.3
341.14200	0.8
342.10547	1.1
343.11771	2.5
355.72705	0.8
361.12955	6.3
376.03421	0.9
385.12982	0.8
387.10806	2.7
388.11697	5.7
397.16760	1.2
399.23444	1.0
419.15085	0.9
423.18146	1.2
439.17661	1.6
441.14584	5.4
443.22964	1.1
449.14130	0.8
455.13159	0.8
461.24051	1.4
467.17175	5.1
469.15192	1.0
485.18167	100.0
486.18451	9.0
503.19064	97.6
503.25116	10.8
504.19437	8.5
504.25980	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.6
59.01379	100.0
61.98812	3.8
69.03448	3.5
69.51294	8.5
71.01378	14.6
73.02943	5.8
83.01389	2.7
85.02939	7.7
87.00853	6.8
87.04526	1.2
89.02456	8.5
93.03428	3.0
95.01385	3.0
96.96015	9.0
99.00832	1.4
99.04537	1.4
101.02440	9.7
107.05048	1.9
109.02933	2.0
111.00853	1.5
113.02439	7.1
119.03465	2.2
121.02939	3.1
123.04511	5.1
137.02419	1.9
143.03427	1.4
149.02380	1.4
149.04549	4.9
149.05978	1.4
161.04553	1.6
163.03929	1.2
173.04561	2.6
176.04778	6.7
191.05582	6.4
227.07143	1.3
253.08748	1.6
283.13232	2.6
293.08173	1.9
309.05170	1.1
309.14868	2.9
311.09518	1.5
311.12888	5.4
327.15906	4.4
341.10263	32.1
341.14236	2.3
342.10657	2.5
353.13953	2.8
359.28003	3.5
371.14902	5.2
399.23758	8.9
416.98080	5.0
417.24841	7.2
458.99020	3.0
459.20007	2.7
485.17841	9.1
502.98267	1.8
503.19678	17.6
503.26288	2.9
503.32657	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	503.1555
Annotation	Umbilicaxanthoside A
Peak:m/z	Relative Intensity
50.17172	0.3
57.03440	0.3
59.01376	5.3
61.98826	0.9
67.01880	0.3
69.03448	4.2
71.01382	2.2
71.05011	0.3
71.78159	0.3
73.02944	0.8
79.66926	0.2
81.03458	0.3
81.38095	0.3
83.01366	0.3
83.04967	0.4
84.02148	0.5
85.02940	1.6
86.96474	0.2
87.00900	1.2
89.02449	1.1
93.03461	2.1
95.05040	0.4
96.79198	0.3
97.06567	0.7
99.04539	0.3
100.98771	0.4
101.02439	1.1
107.05013	0.6
108.02163	0.7
108.08171	0.3
109.02952	1.9
111.00921	0.2
113.02437	1.0
115.04050	0.3
119.05031	2.8
121.02955	6.9
121.06556	0.2
122.03767	2.6
123.00838	0.3
123.04534	7.0
123.08195	0.3
124.01627	0.3
125.06125	0.7
127.82749	0.3
130.74399	0.2
131.04988	0.3
134.03748	0.4
135.04535	1.4
136.01654	0.5
137.02463	3.0
137.06078	0.4
143.04944	0.4
145.02916	0.8
147.04501	2.0
147.08086	0.3
149.02455	1.2
149.04536	1.1
149.06142	0.3
150.03214	0.2
151.04002	1.1
152.07179	0.4
154.02666	0.3
158.03763	0.7
159.04529	1.7
160.05292	0.6
161.02470	0.4
161.04713	0.3
161.06075	0.9
163.03990	2.0
165.05562	0.6
171.04489	1.0
173.04539	0.8
173.06085	1.5
175.04001	3.1
176.04781	18.7
177.05182	0.6
187.04013	0.7
189.05563	1.6
191.05588	0.8
191.07135	0.4
201.11270	0.5
225.09142	0.4
227.07076	0.3
227.10794	0.4
239.06996	0.3
253.08618	0.6
263.07080	1.5
264.07886	1.3
265.08646	1.1
265.12213	0.3
281.08292	0.6
283.09961	0.3
283.13403	0.6
291.06522	0.4
292.07410	0.9
293.08209	2.0
299.16635	0.3
309.14816	0.5
311.09210	3.0
311.12854	0.8
323.09338	0.8
327.15936	1.7
341.10275	100.0
342.10629	6.2
353.13977	1.1
361.13107	0.4
371.14944	2.5
397.16367	0.6
399.23996	0.4
411.20319	0.8
415.16922	0.3
441.19022	0.9
449.13812	0.4
459.20538	1.6
485.18176	3.3
503.20184	4.3
503.32095	1.1
504.19614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96028	0.3
59.01385	4.3
61.98818	0.9
67.10194	0.3
71.01381	2.8
71.54537	0.3
77.14121	0.3
78.95904	1.7
80.99784	0.3
85.02972	0.7
89.02444	1.5
95.01376	0.4
96.96018	6.0
96.96954	4.0
98.11062	0.3
101.02452	1.2
105.03412	0.4
109.02964	0.5
111.00846	0.5
111.04507	0.3
113.02447	0.7
117.03442	1.4
123.04486	0.7
125.02461	0.7
132.02159	2.4
133.02960	19.6
134.03677	0.9
135.04529	27.2
136.04913	0.4
137.02480	0.6
141.00255	0.4
146.03766	0.3
146.79167	0.3
148.05280	0.3
149.06110	1.4
151.04037	0.4
160.01665	3.7
161.02444	100.0
162.02762	2.7
167.03467	1.1
175.03964	0.8
177.01830	0.3
177.05545	2.8
178.02707	0.3
179.03500	46.1
180.03822	1.1
191.05664	1.1
193.05089	0.7
203.03525	2.5
220.83853	0.3
221.04584	3.0
225.11128	0.4
249.04002	0.4
251.05612	1.1
255.39064	0.3
281.06622	1.2
323.07709	8.2
339.07462	0.4
341.08755	58.5
342.09198	3.1
365.08704	0.6
367.07010	0.4
369.08185	0.4
377.57761	0.4
405.17880	0.6
413.10669	0.4
503.14063	24.3
504.13956	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	502.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74087	0.0
59.01377	0.9
59.98545	0.0
60.76519	0.0
61.98823	0.0
62.96400	0.0
69.59576	0.0
71.01375	0.3
78.95902	7.1
81.03448	0.0
83.05010	0.2
95.05042	0.0
96.96991	0.1
97.06569	0.1
99.04543	0.0
99.35728	0.0
113.06090	0.0
127.07621	0.2
149.17291	0.0
152.99567	0.7
168.04311	1.8
171.00618	0.1
190.26772	0.0
197.11824	0.1
205.12405	0.0
205.19553	0.1
224.06927	1.2
233.15440	0.0
233.22737	0.3
242.07999	3.3
243.08238	0.1
259.20624	0.4
275.20068	0.3
277.21698	100.0
278.22034	5.6
437.91638	0.0
502.29376	10.5
503.29703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20484	1.6
52.27277	1.4
58.99814	1.5
59.01383	3.1
67.73141	1.4
69.54706	10.2
71.01371	2.2
78.95885	2.0
81.03445	2.5
83.01373	9.3
88.98815	1.5
93.03452	2.6
95.05058	2.0
96.96039	7.6
96.96968	4.2
107.05045	9.4
109.02970	2.9
111.00941	2.6
119.05056	3.7
121.02998	2.2
123.00912	4.0
123.04523	5.8
125.02431	5.1
126.02748	1.7
133.02963	2.2
135.04530	18.4
137.02457	3.7
137.06076	4.2
139.04034	3.3
149.02512	2.3
149.06073	10.3
151.04010	3.6
161.02422	6.2
163.04111	3.4
164.04784	2.7
165.01915	3.1
165.05548	3.9
167.03508	12.5
177.05583	20.8
179.03528	10.6
189.05394	2.3
191.03499	4.4
193.05095	10.6
197.04613	3.0
203.03505	2.3
204.04173	1.6
205.01424	2.0
205.05070	5.5
206.02188	5.4
207.03011	9.6
209.04602	16.1
217.04993	2.1
219.03003	9.6
220.03770	3.9
221.04564	23.7
233.04553	5.0
235.06047	5.4
237.59216	1.4
239.05615	3.8
245.04364	1.8
247.02338	2.8
247.82724	1.6
248.03215	5.8
249.04050	100.0
250.04413	3.6
251.05574	14.7
261.04022	9.1
263.05673	13.2
267.04956	1.7
277.07236	1.7
278.04205	2.8
279.05099	41.1
280.05447	2.0
281.06656	8.9
291.05151	11.5
293.06570	4.5
303.05051	3.3
309.06195	5.2
311.07822	2.4
321.06238	11.9
339.07190	51.1
340.07184	1.8
341.08694	2.5
351.07050	9.6
366.58020	1.8
368.07578	1.7
369.08240	38.7
370.08395	2.9
432.36273	1.7
441.10248	3.8
441.48868	1.9
459.11435	46.1
460.11697	4.3
503.13864	2.2
515.59564	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	502.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.2
56.28533	0.5
56.56361	0.5
56.75109	0.5
57.03452	6.3
58.00599	1.5
59.01381	100.0
60.01730	0.7
61.98832	5.2
67.01902	0.7
68.99821	1.3
69.03455	3.1
71.01384	50.3
71.05037	0.6
71.54325	0.9
72.01727	0.7
72.04559	1.8
72.99311	1.3
73.02947	17.0
75.00893	0.9
81.03488	1.0
83.01385	8.3
83.03692	0.6
84.02161	0.6
85.02953	25.5
85.06629	0.6
86.00124	0.9
86.03347	0.8
87.00875	4.6
87.04513	6.0
88.56148	0.5
88.98842	0.9
89.02448	19.6
93.03477	0.6
93.65942	0.6
95.01389	10.9
96.99336	0.5
97.02947	1.6
99.00890	6.9
101.02441	23.5
108.02165	3.0
109.03038	2.6
109.12582	0.5
111.00873	3.2
111.04493	0.7
112.01678	1.7
112.07700	0.9
113.02454	51.6
113.06089	0.8
113.99581	1.2
114.02813	0.9
114.05602	9.0
115.00372	0.9
119.03490	5.6
119.05030	0.6
121.10211	1.3
124.01636	0.8
125.02448	5.3
125.06126	0.6
125.88393	0.6
129.01932	0.8
130.08737	6.9
131.03477	1.4
135.04533	1.8
137.02438	1.0
139.11272	1.3
142.02705	1.2
142.08771	1.1
143.03534	3.9
147.11815	3.4
152.01125	3.5
153.01839	1.8
154.02232	0.8
157.01497	0.9
161.04561	10.3
163.11417	0.6
165.12883	0.7
167.03467	1.2
175.02525	0.6
178.04843	1.7
179.03462	1.7
179.05608	2.1
183.10303	3.4
191.01933	0.6
208.13359	1.1
224.16531	15.8
225.14987	1.3
225.17062	0.7
236.16563	2.7
262.18124	3.4
264.19672	1.8
277.05603	1.1
280.19263	2.1
298.20236	12.4
304.19113	0.7
322.20230	3.2
327.18048	1.6
329.06552	1.2
340.21301	2.4
371.17184	4.6
386.83911	0.6
394.22284	1.9
424.23605	1.4
442.24448	85.2
443.24606	6.4
455.37265	0.6
460.25500	34.0
461.25803	2.4
502.19931	7.7
502.26328	4.1
503.17807	18.8
503.25217	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12143	0.4
61.98829	100.0
63.96255	0.4
66.55711	0.4
67.09399	0.4
71.54731	0.5
72.14462	0.4
128.07959	0.5
232.22279	0.4
267.23511	0.5
277.21805	0.6
281.68900	0.4
418.40805	0.5
429.19962	0.5
446.96695	0.4
448.37473	0.5
477.80029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05379	0.3
61.98832	100.0
69.34861	1.6
69.35292	0.8
73.07712	0.3
76.20949	0.3
85.02263	0.3
87.11481	0.3
98.31093	0.3
133.34702	0.3
149.50250	0.3
157.65581	0.3
169.39616	0.3
170.59789	0.3
176.12785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81945	0.2
59.01403	0.2
61.98830	100.0
70.96111	0.6
86.86496	0.2
125.73820	0.2
181.52261	0.2
272.40961	0.2
285.67651	0.2
400.68570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01310	0.4
57.03444	0.9
58.02968	1.1
59.01381	16.0
61.98832	38.5
69.28600	0.4
69.28915	4.1
69.57397	0.5
71.01382	8.4
72.99318	1.0
73.02959	2.0
75.00877	0.5
82.95463	0.4
83.01374	0.8
85.02949	4.8
87.00893	0.8
87.04486	0.4
89.02442	8.0
90.01597	0.4
93.03478	1.5
93.13594	0.4
95.01402	0.4
96.96019	0.9
97.02980	0.5
99.00875	0.6
101.02436	5.7
109.02991	0.5
111.04572	0.6
112.52178	0.4
113.02438	3.8
114.05562	0.6
119.03464	2.7
121.02943	0.6
122.02478	0.5
123.04566	0.6
128.10812	3.6
130.08740	100.0
131.03537	0.6
131.09119	2.2
133.02911	0.6
134.03778	0.8
135.04532	3.3
137.02435	0.8
143.03468	0.8
149.02388	0.6
149.04573	0.8
155.03429	0.5
161.02434	1.0
161.04565	1.0
172.09796	3.4
173.04533	2.1
179.03510	2.3
179.05585	3.7
185.11824	1.1
191.05603	6.9
193.05067	0.8
199.13373	0.9
208.49986	0.4
221.55670	0.5
227.12857	0.6
329.06656	1.7
330.64328	0.5
341.08975	1.8
389.18301	0.8
442.24374	1.1
461.68579	0.4
502.26596	84.6
503.11929	1.1
503.26578	8.2
526.68622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	1.4
59.01379	16.2
60.01700	1.0
61.98829	100.0
69.24306	8.0
71.01390	5.2
73.02934	2.2
74.66702	1.0
77.82208	0.8
83.01385	1.0
85.02956	3.2
87.00884	2.4
89.02453	3.4
93.03441	2.0
96.96027	2.0
97.06590	3.5
101.02467	1.6
106.06651	4.2
111.00889	1.2
113.02483	2.0
119.05031	20.9
121.02971	1.3
125.06059	0.9
125.52137	0.7
131.03517	2.1
133.02977	2.0
134.03741	47.3
135.04558	5.4
136.59895	0.9
137.02435	2.0
149.04567	5.0
150.05618	6.5
151.03979	1.3
163.04010	12.2
173.04520	1.3
175.12811	0.8
177.01888	2.9
178.02696	11.0
179.03340	1.3
191.05592	2.1
223.13414	1.0
231.10236	2.3
275.09189	6.3
283.13394	1.0
285.58035	0.8
307.11865	47.6
308.12140	2.5
311.12915	1.1
327.15994	2.2
338.08868	1.3
371.14859	3.4
415.17502	0.9
439.16043	4.4
440.17834	1.4
459.20068	1.0
485.18179	4.1
495.90848	1.1
501.30972	1.1
502.13672	2.8
503.19269	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	502.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84046	0.2
57.03444	0.4
59.01385	5.9
60.01720	0.4
60.83023	0.3
61.98833	3.5
65.00323	3.3
71.01392	1.2
71.03028	0.4
73.02941	0.3
82.95425	0.5
83.01397	0.6
85.02950	1.0
89.02438	0.5
92.99844	0.7
93.03490	0.3
96.96017	2.8
96.99330	0.3
99.00893	1.1
101.02444	1.0
102.05576	0.3
107.01391	0.6
108.02174	0.3
108.99325	0.7
109.03011	0.4
110.00115	1.6
111.00903	1.2
113.02466	0.7
114.05644	0.3
117.57487	0.3
117.92967	0.3
119.05026	0.4
120.99339	0.9
124.01645	0.7
126.31455	0.2
130.08711	0.3
135.04526	0.3
136.98824	2.9
137.02451	0.6
140.01158	4.9
149.02473	0.3
151.00352	0.4
151.11128	0.3
152.98328	2.6
161.02444	0.4
163.04012	0.5
164.98303	12.3
165.82425	0.2
165.98628	0.3
168.00653	7.6
172.00150	4.0
173.04489	0.3
180.00648	3.8
180.97791	5.6
183.02985	4.3
191.05609	0.7
196.00130	2.5
208.00160	0.4
211.02489	38.5
212.02803	1.2
223.06050	0.5
239.01987	100.0
240.02312	3.7
279.82355	0.3
389.18146	0.7
416.10144	2.1
420.51596	0.3
442.24429	1.3
458.11270	1.3
502.09689	0.4
502.20636	6.3
503.10031	0.3
503.21439	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.87350	4.6
85.28069	0.8
97.71310	0.9
98.20693	0.9
146.79997	0.9
175.53320	0.8
183.63425	0.9
262.44046	1.0
270.40076	1.0
358.91101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
128.37225	1.4
149.09718	28.2
163.11287	100.0
164.11636	3.1
183.09573	1.3
271.90921	1.4
325.21704	31.0
337.21771	13.1
384.51996	1.4
410.76819	1.4
501.33746	99.1
502.34155	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	502.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14173	1.5
59.01381	35.6
60.01708	1.8
61.98830	100.0
69.23064	2.5
69.23465	12.3
71.01376	2.9
73.02940	1.8
78.48561	1.3
85.02970	4.3
87.00903	2.3
89.02439	2.0
93.03471	3.0
97.06628	2.9
98.20689	3.1
99.00914	1.6
110.46035	1.6
111.00912	2.2
131.03539	2.9
133.02969	6.9
134.03735	20.4
135.04559	3.4
137.02452	3.1
172.13222	1.3
177.01967	13.2
178.02708	41.9
179.03426	3.8
191.02162	1.5
191.05583	4.6
192.06044	1.6
231.10233	2.6
248.22278	1.4
275.09235	23.1
284.06525	2.2
307.11823	19.6
308.11743	1.9
311.05270	1.8
312.06039	4.9
327.15970	1.7
341.06537	1.7
342.07169	2.0
371.15042	2.0
436.71320	1.7
439.15912	8.7
459.20523	2.7
485.18253	2.5
502.14142	3.0
503.19330	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	501.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03450	1.0
58.00606	1.1
59.01381	100.0
60.01708	1.0
61.98838	1.4
67.48780	0.9
69.24974	7.4
71.01385	23.8
72.99315	1.4
73.02946	18.5
83.01397	6.5
85.02962	8.3
88.98835	1.2
89.02442	15.6
95.01367	1.4
101.02445	23.2
113.02435	11.7
119.03519	7.5
119.05041	1.6
125.02445	2.5
131.03532	2.3
134.03737	1.4
143.03487	3.4
143.41223	1.0
145.02982	1.7
147.03009	2.0
149.04587	2.1
157.23135	0.9
160.08244	1.0
161.04533	5.5
163.03951	1.3
169.43205	0.9
177.05602	1.6
179.05606	5.2
184.08891	1.0
191.02007	1.2
193.05025	5.1
262.40652	0.9
296.02261	0.9
347.90955	1.0
397.22137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75061	0.7
55.01879	0.8
56.61925	0.6
57.03454	7.7
58.00592	2.7
59.01384	34.3
60.01728	1.0
61.98825	1.9
69.03458	1.1
69.08820	0.7
69.68028	2.4
69.68443	1.5
71.01007	1.4
71.01387	18.2
72.99322	1.6
73.02957	3.0
83.01393	2.9
83.04992	0.6
85.02958	16.0
87.00886	1.2
89.02453	11.5
93.03474	6.4
95.01412	0.8
96.96024	2.3
98.20606	1.0
99.00891	1.2
99.04575	0.9
101.02459	12.6
105.01990	0.6
108.02199	3.0
109.02987	1.6
111.00897	2.0
111.04537	3.0
111.08167	2.3
113.02472	6.7
114.05666	0.8
119.03529	4.9
119.05043	4.3
119.08642	0.7
121.03004	1.3
121.06588	1.0
123.08180	1.0
125.02450	1.5
125.06098	2.3
126.05696	0.9
126.14285	0.7
129.01952	4.7
135.04588	1.2
137.02473	6.7
139.07660	24.3
143.03506	1.4
145.03008	1.2
145.10229	1.2
146.03749	0.6
147.03058	2.0
149.02399	0.8
151.00417	3.4
151.03949	0.8
152.01149	2.6
153.01875	0.9
155.03508	3.8
155.07167	2.7
161.04620	1.1
163.04007	4.7
167.03493	4.4
167.07144	16.1
173.00906	0.8
173.04623	0.8
173.08188	6.7
178.99835	1.5
180.07913	1.7
183.10277	25.4
191.01945	1.0
191.05540	1.1
193.05164	0.9
195.10210	1.9
197.11847	10.2
223.06133	0.8
225.11343	17.7
243.02974	1.7
255.03040	5.7
255.12383	2.0
271.02524	10.2
272.03119	1.2
285.13531	1.2
300.02768	24.6
301.03467	10.7
302.03473	2.7
317.12479	2.4
335.13492	22.0
336.13956	1.3
352.50641	0.8
423.22525	1.1
441.23300	1.0
451.22516	0.8
459.24261	1.3
463.08881	25.0
463.15506	1.3
464.09253	2.3
465.09390	2.9
501.23538	100.0
502.23758	9.2
522.43622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40663	0.9
53.27573	0.9
57.03452	1.1
59.01381	100.0
60.01719	1.1
60.19432	0.9
60.46719	0.8
61.98821	3.0
62.75746	0.9
66.61784	0.9
69.17920	0.9
71.01389	18.7
71.02837	2.2
72.99340	0.9
73.02946	12.6
77.23319	0.8
83.01381	3.8
85.02956	8.0
87.00887	2.8
89.02431	10.7
90.77783	0.9
94.57549	1.1
95.01394	2.3
99.00844	1.6
101.02435	12.5
111.00871	1.1
113.02464	10.5
119.03471	3.9
125.02458	2.0
128.38441	0.9
131.03479	1.2
135.04544	1.3
137.02458	1.0
143.03525	2.6
149.04549	1.8
161.04547	4.0
179.05650	1.5
191.05606	2.1
213.28366	0.9
218.84283	1.0
223.13347	1.3
247.09181	0.9
267.12311	1.5
342.63568	1.0
353.10449	1.2
394.34357	1.1
397.22247	3.6
415.23334	3.0
418.80780	1.1
437.67633	1.2
457.16956	1.3
501.23636	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	501.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
56.60471	0.9
57.03437	0.9
59.01380	100.0
61.98824	4.0
69.40984	2.3
69.41379	5.9
71.01380	22.7
72.99319	1.7
73.02947	13.0
83.01386	4.4
85.02949	10.5
87.00864	1.6
88.98839	1.5
89.02447	11.7
95.01390	2.0
96.95983	1.3
99.00832	1.2
101.02446	13.8
109.02919	1.5
113.02447	13.6
114.88898	0.9
118.98088	3.0
119.03497	5.6
119.05018	1.4
121.02981	1.5
131.03503	1.5
135.04495	1.2
137.02484	1.3
143.03589	2.0
147.02972	1.4
149.04604	1.8
151.03951	1.0
153.01930	2.3
161.04562	5.3
163.03981	1.1
179.05553	1.5
191.01930	2.2
191.03642	0.9
191.05632	2.6
197.04080	1.0
205.12361	2.0
233.12796	0.9
238.77005	1.0
308.10355	1.1
339.07468	1.9
352.04559	1.0
381.13858	2.0
397.22339	4.1
415.23471	1.9
455.02777	1.1
501.17786	4.2
501.24295	8.3
504.62491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61923	1.0
58.62228	1.1
59.01380	100.0
60.01700	1.4
60.66041	1.2
61.98832	2.0
71.01381	17.2
71.55213	1.7
72.99314	1.2
73.02948	6.8
81.18053	1.2
83.01392	2.1
85.02950	7.0
87.00887	2.1
89.02442	15.2
95.01389	1.9
99.00887	1.2
101.02431	10.2
113.02455	10.5
117.93583	1.3
117.94558	1.2
119.03489	5.9
119.05017	2.3
131.03468	2.0
143.03575	1.3
149.04584	2.0
149.97430	1.2
150.71411	1.2
151.04027	1.8
161.04517	3.1
163.03880	1.2
165.03984	1.8
167.24661	1.3
179.05560	3.2
185.80827	1.1
205.12323	1.7
207.05138	2.5
267.12433	1.9
369.22699	1.8
397.22348	5.1
415.23401	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	501.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98821	6.7
68.20263	1.6
71.01384	6.8
71.54613	2.3
72.18085	1.8
73.46405	1.8
92.21617	1.8
93.03458	2.0
95.97329	1.9
101.02435	2.3
121.02984	2.8
136.01654	14.7
138.03195	4.2
151.03992	26.7
161.02429	2.3
162.03195	2.4
175.03981	2.7
177.05530	5.6
179.03485	2.4
191.05583	2.8
193.05128	2.9
199.07613	2.2
201.11227	2.9
203.07335	2.1
227.07080	4.0
325.14456	2.6
356.12671	4.5
357.13251	2.0
369.13531	5.7
441.19125	31.2
442.19223	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	501.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99594	10.9
59.01373	10.0
61.98819	9.3
76.79655	3.8
78.95928	3.7
87.00875	5.5
94.31033	3.2
100.63010	4.1
102.98605	6.3
110.87976	3.2
134.03255	3.2
135.89427	3.1
141.60571	3.1
159.65404	3.5
168.48886	3.3
241.68687	3.2
249.18495	4.0
265.21500	4.9
275.20190	8.6
293.21188	60.6
309.18866	20.6
327.19968	100.0
328.20325	4.8
389.27481	3.6
397.20547	25.8
415.21503	31.6
442.45963	3.8
457.22571	41.3
501.32135	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	501.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99611	7.9
59.01383	10.5
61.98819	2.8
71.11102	2.4
74.99077	1.5
80.77678	1.4
87.00899	7.4
102.98593	6.0
231.26526	1.2
257.53384	1.4
265.21790	1.9
275.20178	8.2
293.21259	36.4
294.21609	2.9
309.18948	21.3
310.19437	1.4
327.20004	100.0
328.20322	7.2
328.82022	1.3
353.21396	1.9
369.21027	1.4
397.20554	28.8
415.21588	33.8
416.21307	1.6
457.22699	43.8
458.22931	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	501.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78591	0.4
59.01379	0.9
59.18645	0.4
61.98826	0.9
69.46129	0.9
69.46529	2.0
71.01398	0.5
73.55686	0.4
74.93265	0.4
75.59124	0.4
78.95905	26.3
79.95726	3.4
85.02968	0.5
85.71852	0.4
88.98814	1.0
96.96005	100.0
96.96957	45.8
98.02474	0.6
119.05109	0.4
125.02396	0.4
158.07971	0.4
177.01869	0.5
191.05624	1.8
200.05743	0.4
472.41611	0.5
501.17102	0.7
501.25757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47528	1.4
59.01358	2.7
60.44695	1.6
60.99299	14.1
61.72512	1.4
61.98823	2.0
65.01350	1.4
70.58788	3.2
70.59135	1.9
73.43201	1.3
84.04913	1.4
87.00854	3.0
87.03338	1.3
88.00404	6.4
88.16816	1.2
88.98806	100.0
89.02441	52.8
136.01660	1.9
137.02422	2.2
151.03935	2.7
163.03993	3.5
177.05615	1.3
226.18880	1.5
258.33466	1.3
342.10947	5.2
343.11227	1.7
411.18063	13.0
412.18750	2.3
432.00790	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	501.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93821	2.2
54.77907	2.4
57.68768	2.3
60.99300	8.6
61.98812	6.7
70.32953	2.2
71.54691	3.3
87.00840	3.3
88.00404	9.5
88.98809	51.5
89.02444	100.0
124.61832	2.3
151.03955	2.8
163.03989	6.3
174.03052	2.2
291.07187	2.3
321.14063	3.3
342.10934	8.1
387.60718	2.6
411.18176	17.0
430.99887	3.8
432.00650	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	501.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04419	2.1
56.85913	1.8
59.01377	100.0
61.98830	6.7
71.01372	6.0
71.54673	2.9
85.02970	2.1
86.66701	1.9
87.00839	2.1
93.03462	2.9
96.35152	2.5
101.02463	2.8
113.02439	3.5
121.02934	4.1
123.00854	4.0
123.04500	3.0
124.04462	2.3
135.04541	2.3
136.01677	14.6
137.02472	3.1
138.03258	3.3
151.04001	27.6
161.02313	2.4
161.04562	2.4
162.03264	2.3
163.03958	3.6
175.04070	2.3
177.05553	4.9
193.05034	3.8
201.11287	4.8
201.65921	2.3
212.04765	2.8
227.07111	3.4
258.16205	3.2
311.05719	2.2
325.14319	4.3
333.33960	2.1
353.44617	2.3
356.12607	6.2
369.13324	5.9
441.19299	27.4
465.20453	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86895	0.8
58.02982	12.2
59.01379	5.0
61.98829	2.4
67.32118	0.9
69.49961	1.3
69.50353	5.1
70.02978	4.5
71.01398	1.2
72.00910	1.9
76.37263	0.8
85.02956	1.8
87.22922	0.8
91.05541	3.9
93.03471	1.0
104.59145	0.9
106.55006	0.8
125.02495	1.7
135.04550	1.7
147.04521	17.4
148.20828	0.8
151.04019	1.2
162.09190	0.9
164.07178	48.7
165.07590	1.0
206.08226	100.0
207.08551	3.7
249.03955	5.3
264.06488	4.2
266.02704	0.8
279.08710	11.2
334.38513	0.9
501.19791	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59230	0.7
52.37680	0.7
58.02977	53.0
59.01371	2.6
70.02970	0.7
70.41812	2.0
70.42158	0.7
91.05569	0.7
103.05473	1.4
106.66921	0.7
130.24406	0.7
147.04536	3.6
164.07167	38.7
165.07417	0.8
174.21840	0.7
176.02116	0.7
206.08218	100.0
207.08566	3.2
250.07161	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
56.02291	0.5
57.03444	0.7
57.97648	0.5
59.01379	27.1
59.97440	0.5
61.98833	4.6
69.66711	1.6
69.67121	1.9
71.01383	7.0
72.99314	0.6
73.02943	4.0
82.95415	1.6
83.01367	1.1
85.02950	3.0
87.00874	0.9
89.02452	3.2
93.03464	1.8
96.96001	1.2
99.00913	0.6
101.02449	4.6
111.00884	0.6
113.02460	3.6
115.02168	0.7
117.03460	1.3
118.98069	1.3
119.05024	100.0
120.05366	2.1
120.08149	0.6
121.02962	3.0
132.02190	4.7
133.02942	6.9
134.03722	5.8
134.06152	1.1
135.00932	0.6
135.04523	6.1
137.02419	0.9
145.02921	2.8
149.06033	1.0
160.00307	0.8
160.01653	22.4
161.02449	23.5
161.04572	1.7
162.02861	1.0
163.04005	47.1
164.04320	1.1
164.07158	0.8
173.04582	0.7
175.03992	25.7
176.04378	0.7
177.05550	11.3
178.02650	0.8
179.03476	5.6
187.11226	0.8
191.05591	2.4
193.05029	4.4
205.12373	0.7
207.05089	0.8
221.04518	1.4
223.13359	2.3
231.30869	0.5
263.05435	0.8
267.12274	1.5
268.94308	0.6
302.40082	0.7
323.07700	24.3
324.07947	1.1
329.33011	0.5
337.09253	24.6
338.09534	1.1
369.13409	0.9
381.13696	0.8
397.14774	1.2
415.16168	2.3
415.23892	0.8
448.23273	0.7
457.17166	2.3
469.63412	0.6
501.13876	26.1
501.20679	1.1
502.14096	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	501.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
58.41096	0.6
58.45011	0.5
59.01377	13.8
61.98822	1.0
63.33939	0.5
63.39671	0.5
67.68699	0.5
68.99819	4.9
69.47235	1.3
69.47657	2.5
71.01380	21.3
72.99314	0.8
73.16164	0.6
78.37901	0.6
83.01388	0.7
85.02953	0.7
89.02458	0.6
93.32617	0.5
96.95964	0.7
96.99323	1.3
99.00887	9.1
103.45598	0.6
112.98812	15.9
116.92870	2.7
121.02984	0.7
124.98804	7.7
127.00388	2.5
140.98302	100.0
141.98636	2.0
142.99855	1.3
152.98283	11.1
154.99751	0.8
170.99344	39.7
173.00894	0.9
197.39067	0.6
501.26276	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.3
57.80922	0.9
59.01378	35.1
61.98829	11.1
66.91463	1.0
71.01383	4.8
71.55482	1.1
73.02946	2.3
76.47922	0.9
77.03961	2.7
79.01889	1.2
83.01360	1.2
85.02951	4.1
87.04509	15.6
89.02441	2.7
93.03446	3.9
96.96003	6.4
97.02983	1.0
101.02393	2.3
105.03499	1.8
107.01478	1.2
107.05053	1.1
109.02954	1.7
111.00930	1.3
113.02444	1.9
117.03466	15.3
118.03837	1.1
119.03551	1.0
119.05009	2.9
121.02948	4.1
123.04523	1.3
125.02470	1.7
132.91370	1.0
134.03709	1.4
135.04509	4.0
137.02411	3.4
137.66487	1.0
145.02899	1.2
147.04430	1.0
149.02428	2.7
149.04584	1.0
152.50578	0.8
159.04495	3.4
161.02443	7.1
163.00334	2.4
163.03969	5.4
165.01846	1.4
173.05940	1.2
175.03850	1.1
177.01927	1.6
178.02739	2.4
179.03439	2.3
188.92621	1.0
191.01891	1.3
191.03519	2.6
191.05600	7.2
197.05989	1.0
203.03600	2.0
211.07622	1.1
228.57396	0.9
239.07103	2.0
245.08321	1.2
268.03784	3.5
269.04514	5.8
275.09338	1.7
281.04498	11.0
281.07498	1.6
282.05243	3.8
283.06107	60.9
284.06458	3.4
289.07227	2.9
293.04391	4.5
295.06076	3.2
297.03857	1.0
309.04071	1.5
311.05582	100.0
312.06055	5.5
323.05591	13.4
327.21692	3.4
341.06723	7.3
353.06769	2.9
358.10895	1.4
377.06485	1.4
413.08734	59.3
414.09088	3.8
427.16068	1.6
436.63379	1.1
501.14011	80.0
501.20490	5.3
502.14316	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	500.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09299	0.4
54.26834	0.4
61.98820	0.4
62.29898	0.4
70.95567	0.6
84.04129	0.4
84.04539	2.3
85.90115	0.4
86.06122	19.8
99.26167	0.4
112.04055	38.8
113.04397	1.0
114.05618	10.0
125.02451	0.5
126.02041	1.0
127.81826	0.5
135.68056	0.4
137.05597	0.4
158.04594	100.0
158.54292	0.5
159.04984	2.2
169.91003	0.5
175.48354	0.5
202.07202	0.7
240.94107	0.4
241.00284	0.5
274.54666	0.4
301.67484	0.4
349.27597	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	80.4
60.01704	0.4
61.98829	0.4
69.89305	1.7
89.42361	0.4
90.97102	1.0
98.20558	0.5
132.98178	1.6
143.18307	0.4
157.03568	3.8
159.01505	1.0
168.15331	0.4
174.99231	22.5
175.99289	0.3
201.02536	33.4
202.02751	1.6
217.00284	100.0
218.00647	1.8
266.14651	0.3
343.03683	3.2
344.03671	0.4
359.01443	67.9
360.01678	4.9
510.99805	0.4
522.91125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51960	1.4
58.00592	2.0
58.47520	1.3
59.01378	24.5
59.01682	2.0
70.54813	4.2
71.01380	16.6
72.38839	1.5
72.99283	1.6
73.02940	13.7
75.00870	1.7
82.37506	1.4
83.01371	1.5
85.02964	3.2
89.02438	5.6
95.01368	2.5
97.06595	2.4
98.20568	1.4
98.91268	1.3
101.02432	7.8
111.08152	1.6
113.02438	10.9
119.03522	2.7
125.05989	1.6
139.07613	3.1
153.09218	1.7
161.04515	2.3
205.19505	1.9
238.40108	1.6
255.21089	3.0
257.22934	1.8
259.20590	1.7
263.23752	2.7
273.22223	10.9
277.21698	100.0
278.22046	5.7
291.23282	72.4
292.23572	5.6
301.21857	10.5
319.22714	17.2
331.22766	2.2
349.23651	3.0
484.54645	1.6
499.26794	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	499.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18811	1.9
59.01379	100.0
62.76489	1.8
65.77879	2.0
68.60840	1.9
71.01386	11.9
71.38182	2.5
85.02941	2.7
89.02444	3.0
91.03993	2.5
106.56149	2.2
113.02437	4.1
141.38857	1.9
152.64510	1.8
277.21701	80.5
278.22134	5.5
291.23419	5.1
319.22693	11.9
365.26822	9.2
390.32571	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42053	0.5
59.01379	100.0
60.01705	0.6
67.49782	0.4
70.38936	1.2
71.01395	1.6
72.43478	0.5
75.00882	0.9
85.02901	0.5
89.02415	0.5
91.04028	1.5
101.02472	0.5
107.77862	0.4
109.06007	0.5
113.02464	1.2
147.05646	0.5
151.41124	0.4
199.13559	0.6
277.21729	8.9
291.23465	0.7
319.22784	2.4
347.25989	1.3
349.23737	0.5
365.26941	9.6
366.27277	0.9
399.48773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00334	9.4
54.03528	1.4
55.01873	1.7
56.98036	2.1
57.97556	12.5
58.00584	4.0
59.01377	100.0
60.01704	1.3
61.98824	2.4
69.58440	3.6
69.58852	5.4
71.01378	65.4
72.99293	3.4
73.02937	5.5
82.41621	1.2
83.01380	5.5
83.99130	68.4
84.97543	2.1
85.02956	17.2
86.03231	1.4
87.00864	4.3
89.02443	65.6
95.01382	5.7
99.00923	3.0
101.02440	58.6
111.98607	3.8
113.01703	2.4
113.02454	27.4
119.03501	41.5
127.98119	24.5
131.03465	3.4
138.00175	19.7
143.03491	3.9
149.04562	3.2
154.97237	1.6
161.04529	5.5
173.04547	1.3
177.01967	1.9
178.69266	1.5
179.05664	7.3
185.06207	1.4
191.01945	2.0
191.05588	3.2
199.35423	1.4
209.11818	4.5
276.10611	11.4
284.57620	1.4
294.11606	2.9
371.17059	6.1
429.40933	1.4
456.16925	16.7
500.15948	99.5
501.16220	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	499.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35810	1.2
55.01871	1.2
57.03428	1.3
59.01379	100.0
60.01708	1.7
61.98830	2.7
69.38392	3.4
69.38807	5.9
71.01019	1.1
71.01387	13.9
73.02937	4.9
83.01393	2.3
85.02956	7.8
87.00885	1.3
89.02475	6.2
91.14987	1.2
92.69608	1.2
93.03439	1.1
95.01389	2.0
96.96032	1.4
97.02928	2.0
99.00877	2.0
101.02457	8.3
109.02936	2.9
111.75915	1.2
113.02454	6.3
119.03476	2.0
119.04932	1.3
121.02917	3.6
123.00879	1.8
124.01674	9.1
125.02454	16.8
134.03717	4.2
137.02417	2.4
146.45540	1.0
148.05257	1.8
149.99570	10.2
151.00331	1.8
153.01945	1.2
161.04561	3.9
163.07681	1.7
167.99380	2.0
168.00650	18.3
175.03983	1.8
176.04771	3.0
178.02763	1.4
182.69954	1.2
191.05602	3.8
191.07152	1.7
193.05049	5.0
216.17078	1.3
235.06046	6.0
281.81726	1.4
323.13361	1.6
413.21826	3.1
447.30771	1.1
499.18149	39.7
499.32983	2.0
500.18637	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	499.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01715	0.5
61.98835	0.5
70.29425	1.1
71.01371	0.7
93.03482	0.3
98.20495	0.3
125.02454	0.5
133.21353	0.3
135.02087	0.3
137.02463	1.8
143.31216	0.3
149.02428	0.5
161.02394	0.4
165.01944	1.5
179.03566	0.4
287.05719	0.7
288.06439	0.8
289.07089	0.3
379.11853	0.6
397.22348	0.3
499.19965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01748	0.5
61.98834	0.9
68.99583	0.6
71.01397	0.9
71.55018	0.8
74.02468	3.9
77.83955	0.5
79.53896	0.5
80.25250	0.4
85.35041	0.5
88.14014	0.5
89.56647	0.4
90.50291	0.4
93.03419	0.7
100.70256	0.5
112.98591	1.2
123.04585	0.6
125.02499	1.2
131.14058	0.4
135.04501	0.6
137.02454	3.3
142.81007	0.5
150.03282	0.9
165.01949	1.8
191.05536	0.8
198.22678	0.6
230.79642	0.6
287.05753	1.4
288.06747	0.7
291.56799	0.6
316.14273	0.6
468.86322	0.7
499.14908	0.7
529.63239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01715	0.6
61.98839	0.8
68.93721	0.3
70.65694	0.5
70.65995	0.4
71.01374	0.4
73.02966	0.5
83.01452	0.4
85.02954	0.3
89.02462	0.3
113.02480	0.3
118.11742	0.3
122.03754	0.3
125.02489	0.9
128.10809	0.3
137.02467	2.8
150.03195	0.7
155.69240	0.3
161.02530	0.3
165.01909	2.5
169.91266	0.3
179.75839	0.3
191.05626	0.4
201.05772	0.3
287.05695	0.8
288.06454	1.3
499.19598	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
57.03442	3.3
58.00599	2.0
59.01381	100.0
61.98838	6.1
70.67707	3.2
71.01383	36.9
72.99305	3.6
73.02949	20.4
75.00881	6.6
77.79738	1.1
83.01402	9.5
85.02953	10.6
87.00877	2.4
89.02451	15.3
95.01429	1.3
96.96007	1.9
99.00830	1.6
101.02445	26.9
103.11727	1.2
109.02985	1.8
113.02454	11.6
116.92851	4.1
119.03513	6.7
119.27939	1.1
123.04498	2.0
125.02460	11.0
131.03476	2.4
137.02441	2.2
143.03479	2.7
145.02917	1.3
149.04559	1.8
151.04007	3.6
161.02428	3.8
161.04517	5.3
175.03976	1.3
177.01991	1.5
189.16512	6.3
232.86087	1.1
233.15385	1.9
235.16975	1.4
289.07230	3.2
299.06021	1.1
330.42075	1.0
337.68433	2.2
395.20587	3.9
395.68918	1.8
413.21878	6.1
417.68558	1.5
455.22882	64.7
456.22971	4.7
499.20627	1.4
500.34854	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.8
59.01379	100.0
61.98829	1.4
63.83804	0.8
69.44887	6.2
71.01380	26.5
72.99312	2.3
73.02946	15.2
75.00880	1.0
76.37354	0.9
83.01398	5.7
85.02950	7.3
87.00886	1.3
89.02444	17.3
95.01395	1.8
95.04926	0.9
99.00881	1.0
99.04542	0.9
101.02435	20.0
113.02449	8.4
119.03499	6.3
123.04510	1.2
125.02422	3.2
131.03424	1.8
137.02449	1.2
143.03473	2.3
149.04503	1.1
151.03979	1.4
161.04559	3.2
179.05573	2.7
189.16466	3.8
231.97769	0.9
233.15550	1.0
235.17149	1.0
251.35497	1.0
272.39767	0.9
289.07175	0.9
369.22589	1.1
395.20688	2.2
413.21692	3.0
440.23074	1.6
455.22849	55.3
456.23184	4.5
499.28641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88260	1.0
53.62941	1.1
59.01378	100.0
61.98810	3.4
67.01879	1.2
69.43836	3.2
69.44263	6.0
71.01370	9.8
73.02935	3.0
78.33527	1.2
83.01392	2.3
84.02168	1.3
85.02950	9.3
87.00869	1.8
89.02427	6.2
93.03431	2.6
93.85863	1.2
95.01389	1.9
98.19918	2.8
99.00873	1.4
101.02435	8.1
109.02903	2.0
111.00873	4.1
113.02427	6.3
119.03487	1.8
121.02938	1.3
122.56537	1.3
125.02410	1.5
137.02455	1.5
151.04007	1.4
159.04507	1.9
161.04547	4.1
164.01054	1.3
173.04573	2.8
173.05913	1.1
177.05600	1.2
179.03453	1.6
179.05414	1.3
186.02539	1.2
187.07634	15.7
191.05576	16.6
201.05554	1.4
202.06335	4.4
203.10782	2.1
209.02989	1.5
213.09174	1.4
215.07103	2.1
231.10225	5.6
233.11726	1.4
263.12833	1.9
275.09207	6.1
307.11801	5.1
377.15912	5.2
395.17026	16.5
396.17630	1.1
407.92593	1.3
413.18048	5.2
455.13394	2.7
455.19342	3.3
481.17285	7.1
482.17554	2.3
483.70462	1.2
499.12335	18.9
499.18649	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	499.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98814	2.3
67.42639	1.6
71.54256	1.8
87.01477	1.8
151.04056	2.0
191.07101	3.4
219.06572	11.6
348.17007	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35810	1.2
55.01871	1.2
57.03428	1.3
59.01379	100.0
60.01708	1.7
61.98830	2.7
69.38392	3.4
69.38807	5.9
71.01019	1.1
71.01387	13.9
73.02937	4.9
83.01393	2.3
85.02956	7.8
87.00885	1.3
89.02475	6.2
91.14987	1.2
92.69608	1.2
93.03439	1.1
95.01389	2.0
96.96032	1.4
97.02928	2.0
99.00877	2.0
101.02457	8.3
109.02936	2.9
111.75915	1.2
113.02454	6.3
119.03476	2.0
119.04932	1.3
121.02917	3.6
123.00879	1.8
124.01674	9.1
125.02454	16.8
134.03717	4.2
137.02417	2.4
146.45540	1.0
148.05257	1.8
149.99570	10.2
151.00331	1.8
153.01945	1.2
161.04561	3.9
163.07681	1.7
167.99380	2.0
168.00650	18.3
175.03983	1.8
176.04771	3.0
178.02763	1.4
182.69954	1.2
191.05602	3.8
191.07152	1.7
193.05049	5.0
216.17078	1.3
235.06046	6.0
281.81726	1.4
323.13361	1.6
413.21826	3.1
447.30771	1.1
499.18149	39.7
499.32983	2.0
500.18637	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	498.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.3
61.98830	100.0
67.07758	0.2
71.01392	0.2
71.03722	0.1
71.54898	0.3
84.50256	0.1
85.02994	0.2
88.98818	0.4
89.02446	0.3
93.03473	0.3
95.91398	0.2
101.06115	0.2
125.02505	0.6
137.02518	0.3
154.63892	0.2
173.04564	0.2
178.33621	0.2
191.05566	1.0
196.64621	0.2
198.98035	0.2
214.52722	0.2
227.49814	0.2
305.02252	0.4
337.46466	0.2
456.08298	0.2
498.19086	0.2
524.96930	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1222
Annotation	Epigallocatechin 5,3',5'-trimethyl ether 3-O-gallate
Peak:m/z	Relative Intensity
57.33776	2.6
61.98800	5.2
70.58222	8.9
71.01391	3.5
84.29478	2.7
96.96001	8.4
96.96951	3.0
101.02430	3.5
113.02428	2.9
119.05031	6.4
123.04543	4.2
124.01633	5.1
125.02415	3.0
139.04002	38.0
151.58093	2.3
153.05574	3.7
161.04552	4.7
163.04001	7.6
173.04625	2.7
191.05632	7.4
213.04433	2.7
263.76151	2.8
285.16861	2.9
301.09186	11.7
499.12198	100.0
500.12350	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	499.1456
Annotation	kn-93
Peak:m/z	Relative Intensity
57.03449	0.5
59.01379	1.9
60.99297	2.9
64.97513	0.5
66.11168	0.5
67.01891	8.3
69.03448	2.2
71.01385	3.1
71.53431	0.6
81.03471	1.4
83.05043	1.6
85.02950	5.2
87.00881	10.4
93.03460	60.8
94.03789	1.1
96.96016	1.6
99.00859	0.7
99.04521	0.9
109.02983	1.7
111.04523	8.1
113.02453	1.3
119.05024	26.4
119.77358	0.5
120.05368	0.6
127.04054	0.8
129.01918	1.5
135.04543	1.6
137.02492	0.9
143.03424	0.7
145.02922	2.5
155.03531	2.8
161.02423	1.2
163.04013	19.7
173.03125	1.1
173.04549	17.7
179.03474	2.4
187.07599	1.0
191.05605	79.0
192.05949	2.2
216.06851	0.6
247.73869	0.5
307.08316	1.3
325.09326	1.0
337.09293	9.7
379.10233	1.7
411.77679	0.7
481.13748	0.8
499.14542	100.0
500.14920	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	498.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88805	0.7
55.01875	3.8
56.06546	0.7
57.03447	16.9
59.01374	3.4
61.98825	6.0
67.01902	1.2
71.01389	7.4
72.99311	1.0
73.02938	1.9
75.00870	1.1
79.10326	0.6
79.39037	0.5
83.01385	9.2
84.02158	2.6
85.02950	100.0
86.03282	1.5
86.28570	0.5
87.21400	0.6
93.03474	0.8
96.96014	0.8
98.02492	0.7
98.19897	1.1
99.00867	1.1
101.02435	5.1
103.03962	0.7
108.02192	1.1
109.02948	1.7
111.00881	28.1
114.05618	0.7
125.02454	1.8
129.01945	49.8
130.02243	1.1
133.10237	1.9
137.02344	0.6
152.01122	2.2
153.01691	0.9
159.03008	0.6
159.90779	0.6
161.04561	4.3
187.02502	2.2
193.08595	0.6
202.11530	0.7
205.03522	47.5
206.03822	0.8
223.04512	4.4
248.16498	0.9
248.76465	0.6
255.02892	0.8
273.03000	1.5
292.15585	5.4
300.02844	2.2
301.03159	1.3
302.03391	3.4
375.65948	0.6
393.14050	0.6
433.07809	0.7
435.08411	6.8
480.18466	1.0
498.20059	8.1
499.18863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04220	0.2
59.01377	2.1
61.98838	1.5
65.86226	0.3
69.80944	0.4
69.81351	0.9
71.01395	0.8
72.92075	0.2
73.02949	0.2
74.33000	0.2
80.02706	0.4
81.03466	0.5
85.02940	1.0
89.02463	0.3
93.03471	0.4
95.01381	0.2
96.96030	0.4
101.02482	0.4
107.01405	0.3
107.05003	0.2
108.02170	34.5
109.03029	1.8
111.00867	0.3
113.02489	0.2
123.00918	0.4
123.04523	12.7
124.01658	0.6
124.04845	0.4
125.02445	1.6
135.04555	0.5
137.02435	0.6
137.09737	0.4
149.99576	0.4
151.00354	0.3
152.01146	42.6
153.01915	1.7
155.10767	0.8
161.02409	0.3
161.04530	0.3
163.03978	0.5
167.03485	100.0
168.00601	1.1
168.03802	2.3
179.03464	0.3
183.10320	0.4
185.11835	1.5
202.28220	0.2
275.16342	0.4
291.19574	0.3
489.22852	0.2
497.16095	8.4
498.16586	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1669
Annotation	Globulusin B
Peak:m/z	Relative Intensity
53.83489	0.5
55.01873	0.5
57.03435	0.6
59.01388	3.2
61.98832	3.9
64.70060	0.4
69.03464	3.1
69.31278	2.8
71.01391	3.2
73.02960	0.5
74.59980	0.4
78.91891	3.5
79.01903	0.5
81.03436	1.2
83.01390	1.2
85.02937	1.7
88.47755	0.4
89.02419	0.5
89.80006	0.4
93.03472	0.9
95.01388	1.8
96.96002	1.4
97.02960	3.0
98.20695	0.9
101.02440	1.5
104.77179	0.5
107.01385	1.6
108.02184	3.1
109.02985	2.9
113.02417	1.6
113.09654	0.5
119.05010	0.8
121.02989	0.4
122.03757	3.0
123.00897	7.0
123.04541	8.2
124.01673	21.0
125.02456	49.5
126.02779	0.9
129.01917	0.4
135.04512	2.0
137.02458	4.4
139.11282	0.5
143.03439	0.5
147.04489	0.6
149.99594	28.1
151.00378	2.7
152.01089	1.8
153.01897	0.9
154.01666	0.5
155.10750	0.8
161.04596	4.1
165.01930	0.5
167.03513	4.2
168.00650	53.4
169.01390	4.3
169.03961	0.7
175.39404	0.4
179.03441	1.0
183.10175	1.2
185.10249	0.7
185.11836	14.1
186.12117	0.4
191.01964	0.4
225.11259	0.5
249.11166	0.5
261.07626	1.8
275.16354	0.5
287.16373	1.0
299.01825	0.5
312.63910	0.5
313.05524	1.5
497.16595	100.0
498.16898	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	497.1666
Annotation	Eucaglobulin
Peak:m/z	Relative Intensity
57.03445	0.7
59.01373	0.9
61.98827	2.5
65.00319	0.9
69.03447	1.2
69.79945	0.4
69.88225	1.9
77.32722	0.4
79.01900	0.7
81.03445	0.9
83.01387	1.7
83.90558	0.4
85.02946	0.6
91.71864	0.4
95.01387	1.2
96.96030	0.8
97.02950	1.2
107.01391	3.1
109.02948	0.8
114.70612	0.4
117.69043	0.4
123.00883	4.6
123.04535	0.4
123.50558	0.4
124.01675	14.1
125.02451	45.6
126.02800	0.9
137.02464	1.5
147.87527	0.4
149.99586	21.2
151.00378	8.6
167.03514	1.6
168.00647	47.6
169.01456	5.7
171.26045	0.4
174.94788	0.5
175.00340	0.5
193.01399	0.7
295.57312	0.4
313.05707	1.7
331.06708	0.5
449.21774	0.4
479.15826	1.3
497.16653	100.0
498.17001	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	497.1664
Annotation	Eucaglobulin
Peak:m/z	Relative Intensity
57.03450	3.6
59.01384	2.2
59.69861	0.3
61.98833	6.3
62.57735	0.4
63.02395	0.5
65.00327	6.0
68.99813	0.3
69.03447	0.6
71.01383	1.4
71.55373	0.4
73.02931	0.4
79.01922	0.3
81.03451	2.0
83.01388	11.5
85.02950	4.3
89.78855	0.3
93.03462	0.7
95.05048	0.4
96.95988	1.9
97.02953	1.4
97.06596	0.5
99.00878	0.4
101.02435	0.6
103.01908	0.4
107.01388	9.7
108.02187	2.9
109.02960	2.9
111.00881	0.7
112.86787	0.3
116.01485	0.3
121.02959	1.2
123.00871	0.5
123.04563	0.7
124.01665	1.9
125.02448	39.6
126.02813	1.0
129.01958	1.5
131.01379	0.7
132.40250	0.3
135.04510	0.5
137.02438	1.2
139.04031	1.0
139.11278	4.5
141.05626	0.5
149.02457	1.9
149.99576	0.5
151.00368	52.7
151.04010	0.9
152.01134	3.1
152.51244	0.3
153.02031	1.5
161.02499	0.5
161.04497	0.5
163.03955	0.5
165.01950	1.2
167.03508	2.3
168.00641	2.7
169.01418	16.7
173.47231	0.3
175.00360	5.3
177.35138	0.3
179.03568	0.9
193.01419	3.3
201.11333	6.1
202.11668	0.6
205.01534	0.6
205.03532	1.4
209.04547	0.6
211.02461	1.5
223.04616	0.4
255.02948	0.4
256.03555	0.4
271.02472	0.7
272.02924	1.0
287.19162	0.4
300.02667	1.0
301.03192	2.9
302.03928	0.9
309.07913	0.3
313.05762	0.3
411.13272	0.4
434.07922	3.8
497.16589	100.0
497.22348	4.5
498.16891	8.9
498.23590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99400	0.4
61.98832	4.5
70.96822	0.8
78.43297	0.4
78.95907	45.1
84.55928	0.4
96.96969	6.9
100.99953	0.4
111.98837	0.3
150.97987	1.8
152.99590	100.0
153.99931	0.8
171.00641	3.9
174.06497	0.4
199.17087	0.7
279.23279	1.1
409.23804	0.8
433.23596	31.0
434.24011	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10536	0.4
56.90539	0.4
57.93151	0.4
59.01381	1.5
61.98822	4.0
69.50382	1.2
69.50817	1.2
71.01378	0.9
72.33504	0.4
73.02950	1.0
80.87489	0.4
81.03476	0.5
83.05019	1.2
85.02953	1.0
87.00922	0.6
88.53056	0.4
89.02467	0.6
91.05553	0.5
91.87693	0.3
93.03458	9.0
101.02431	0.4
107.05003	1.1
109.02949	1.0
111.04505	3.9
111.08102	0.4
114.05548	0.4
114.65001	0.3
117.03474	0.6
123.90505	0.4
130.08742	0.4
133.02943	3.5
134.03725	3.3
135.04523	99.6
136.04832	2.5
137.02446	4.9
155.03508	1.3
161.02435	18.0
162.02797	0.7
173.04543	2.3
177.01866	0.8
179.03493	100.0
180.03799	3.2
191.05620	2.5
203.07141	0.5
206.08226	0.6
249.07661	2.5
317.06625	0.4
335.07712	61.6
336.08127	2.9
341.08725	4.6
377.08667	0.7
437.20218	0.5
497.12979	23.7
497.21927	1.4
498.13495	2.0
515.05402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10965	0.6
57.11913	0.6
59.01375	2.0
61.98809	0.8
66.82838	0.6
67.44579	0.5
71.01385	1.9
71.31445	0.9
72.99303	1.1
73.02926	1.3
78.95907	0.8
81.03423	0.9
83.05034	2.1
85.02953	1.4
88.98789	0.8
89.02438	1.1
93.03458	14.1
96.51585	0.6
96.96012	5.6
96.96983	0.9
99.04445	0.7
101.02445	1.3
104.82393	0.6
107.05023	1.2
109.02964	1.3
111.04514	8.0
121.03029	0.6
123.04541	1.9
133.02960	6.7
134.03748	3.4
135.04520	88.5
136.04836	2.4
137.02441	6.0
138.05620	1.9
140.07068	0.8
150.03268	0.8
155.03497	6.4
161.02440	29.7
165.05600	0.8
167.03479	7.6
167.11159	0.6
170.81480	0.6
173.04552	3.0
174.03160	0.8
177.01849	1.2
178.02744	0.6
179.03487	100.0
180.03828	3.2
191.05615	4.0
203.07021	0.9
249.07722	2.6
250.91141	0.6
291.08627	1.2
329.08740	1.1
335.07687	40.3
336.07980	1.9
341.08737	35.3
342.09033	2.1
425.72842	0.6
462.16165	2.0
497.12903	27.0
498.13333	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	496.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
57.03448	2.0
59.01378	18.6
61.98832	100.0
69.42873	1.2
70.00072	5.5
71.01370	6.3
79.95761	2.7
80.79720	1.2
83.01385	1.9
85.02947	9.3
86.56857	1.4
89.02444	5.3
93.03461	2.2
95.05046	2.3
99.00907	1.4
101.02448	5.4
108.02191	2.2
109.02930	1.9
113.02472	4.0
119.03507	3.3
119.05012	2.5
123.04536	27.3
124.04850	9.2
125.02441	1.8
129.01932	2.2
137.02425	2.9
145.02971	4.2
149.02481	2.2
152.01204	1.9
153.01889	2.3
156.30246	1.3
160.22827	1.6
161.04588	1.5
167.03453	3.2
183.10208	2.2
185.11880	1.4
195.06674	2.8
201.11337	1.8
209.04570	1.8
224.16550	1.8
288.13562	1.3
298.20367	2.1
329.15921	2.0
334.09155	1.4
347.16937	3.6
349.18527	3.9
389.18085	3.9
438.05307	1.4
460.25555	31.1
461.26016	2.6
496.23865	52.0
497.07388	4.0
497.16229	3.8
497.22916	6.1
522.14233	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	496.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47405	0.3
55.00991	0.4
57.61668	0.4
61.98832	3.6
64.63680	0.4
65.02003	0.4
70.84417	0.9
78.95905	44.2
96.96969	5.0
98.15326	0.4
98.20010	0.4
150.98018	1.8
152.99582	100.0
153.99942	1.3
171.00644	4.0
227.17894	0.5
229.77829	0.4
260.79779	0.4
273.45334	0.4
279.23407	1.0
345.37125	0.4
433.23584	32.5
434.23886	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	496.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.2
59.01380	6.9
61.98833	100.0
63.20680	0.4
69.03451	0.4
70.92156	1.1
71.01387	3.7
72.28560	0.4
73.02945	3.2
79.95755	0.6
83.01405	1.2
85.02955	6.5
86.03309	0.6
87.00852	0.7
87.04512	1.7
89.02486	1.4
93.03463	3.1
96.96046	1.6
101.02426	1.9
108.02190	6.0
109.02977	1.8
111.00914	0.8
113.02485	1.2
117.98171	0.4
119.05122	0.4
121.02990	0.5
121.06618	0.5
123.04559	3.7
125.02468	1.5
128.55344	0.4
129.02000	0.7
133.10284	1.3
135.04578	0.9
137.02454	6.2
137.09741	0.6
139.04150	0.4
149.99570	0.5
151.00317	0.4
152.01161	7.2
153.01855	1.3
153.05554	0.6
154.93642	0.4
155.10794	4.2
167.03499	14.2
167.10814	1.5
168.00633	0.6
168.03867	2.8
183.10298	0.8
185.11835	38.4
186.12233	1.3
191.05577	0.6
199.13432	1.4
203.05804	0.5
221.06577	0.8
227.12981	1.5
247.99033	0.4
292.15683	0.4
300.02872	0.8
349.15225	0.4
376.13477	0.7
433.07605	0.8
496.12109	0.6
496.19962	4.6
497.16992	3.0
497.20242	2.1
504.92938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.5
61.98827	40.9
62.66636	0.9
71.54168	1.2
73.02916	1.2
82.76791	0.8
85.02950	1.6
88.52271	0.8
93.03454	1.6
96.95940	0.9
107.01334	1.0
116.78756	0.8
121.02898	0.9
125.02383	1.1
135.11497	0.8
147.10774	0.9
151.00339	6.2
163.00374	1.8
173.04524	1.2
178.99774	2.5
191.05579	2.8
203.06676	0.9
227.03461	1.6
243.02968	6.3
254.02155	1.5
255.02962	20.7
271.02454	42.2
272.02979	3.2
300.02737	96.6
301.03406	21.9
302.03738	1.2
433.07700	100.0
434.08160	7.2
465.47571	1.0
469.10416	1.0
493.06192	1.0
496.17703	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69988	67.5
61.98814	63.3
63.40057	61.1
71.45542	100.0
74.00591	61.1
267.87784	62.2
278.03384	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47872	0.7
57.03446	2.0
57.98558	0.7
59.01375	7.2
61.98830	31.7
65.00321	1.7
66.96884	0.7
69.40360	4.8
69.40783	1.4
71.01378	3.1
73.02947	2.2
75.15647	0.7
83.01385	3.7
85.02961	5.3
87.00843	1.1
89.02422	1.1
93.03471	1.3
96.96004	6.1
101.02457	2.6
101.96532	0.8
107.01367	5.1
108.02193	2.0
109.02935	2.5
113.02427	1.5
119.03464	1.1
119.05013	1.7
121.02948	3.5
123.04501	0.7
125.02454	10.1
129.01962	2.5
135.00885	0.9
135.04552	1.2
137.02417	1.1
139.11249	4.7
148.01649	1.1
149.02406	0.9
151.00363	21.2
151.03989	2.1
152.01091	1.3
163.00331	2.2
167.03479	2.4
169.01447	6.0
171.91478	0.9
175.00284	1.3
178.99854	4.3
193.01425	1.0
199.19939	0.9
201.11301	7.8
227.03514	2.1
233.66049	1.0
243.03030	7.0
254.02144	2.6
255.02957	18.8
271.02472	41.8
272.02859	2.1
273.03754	0.8
281.06580	0.8
283.02368	1.9
299.02051	1.3
300.02747	85.4
301.03491	43.3
302.03900	2.5
333.15848	0.8
389.18286	1.3
390.58359	0.9
433.07724	100.0
434.08109	8.2
464.25351	0.8
496.23764	1.4
497.16559	23.6
497.22549	3.7
513.03802	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01382	13.1
60.01723	0.8
61.98833	100.0
65.87807	0.6
70.91982	0.6
70.92310	1.2
71.01393	1.5
73.02958	1.7
79.63789	0.6
83.01401	1.4
85.02957	3.4
89.02459	1.2
95.56781	0.8
96.96041	1.0
101.02460	1.6
107.01409	2.6
108.02171	1.5
109.02989	2.8
113.02454	1.5
115.04044	3.2
118.08052	0.6
120.51890	0.6
121.02972	2.7
123.04530	1.1
125.02385	0.7
128.15771	0.6
132.82715	0.7
133.06628	1.1
133.10277	0.9
139.03976	0.7
139.11240	1.0
149.02423	0.8
151.00380	10.1
152.01135	1.4
161.04645	0.7
163.00362	2.5
164.01196	0.8
167.03458	0.8
176.84482	0.7
178.99843	4.6
185.11790	0.7
187.11281	0.7
199.11272	4.3
200.11653	1.2
201.11354	1.6
204.42632	0.7
226.02594	1.0
227.03484	2.3
229.05081	0.8
241.16034	1.8
243.03026	5.6
244.03362	0.9
245.04405	1.2
253.16074	1.9
254.02129	1.7
254.16435	1.0
255.02948	18.9
256.03577	0.9
259.13376	1.5
264.10648	0.8
271.02466	33.1
272.02997	2.1
273.03882	1.4
276.00305	0.8
283.02554	1.2
292.15536	1.4
300.02753	68.7
301.03513	53.3
302.03882	2.6
303.15967	1.1
315.16089	4.2
316.16299	3.1
333.17108	2.8
334.17432	1.1
347.17087	1.7
385.23544	0.9
389.18164	1.9
433.07758	89.9
434.08118	6.1
495.22388	1.8
496.22949	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	495.2747
Annotation	Ardisenone
Peak:m/z	Relative Intensity
55.53807	0.6
58.40284	0.6
61.98827	1.6
71.01380	1.0
77.65480	0.6
78.95897	2.6
93.03461	5.9
98.20667	1.6
104.82506	0.6
109.02914	0.9
114.86331	0.6
115.60703	0.5
117.41890	0.7
121.02956	66.0
122.03277	0.8
123.00893	5.5
123.04521	0.6
130.04141	0.7
131.05038	0.7
135.04491	1.0
136.01649	2.7
138.03181	1.0
145.06584	1.9
146.03745	9.4
147.00911	1.2
147.04521	11.6
149.02431	24.1
150.02783	0.8
150.65613	0.5
151.04018	5.0
151.50539	0.6
152.85275	0.6
152.99590	6.5
153.05588	1.4
158.03725	19.2
159.04521	6.1
160.05301	20.6
161.06067	6.6
162.03227	4.1
163.04004	1.8
164.04791	88.0
165.05115	2.3
173.06073	27.3
174.06683	1.2
175.07637	47.8
176.04762	1.4
176.08002	1.6
177.05562	100.0
178.05908	2.8
179.07137	6.9
191.07098	2.4
192.07870	4.2
193.05042	2.4
283.09796	1.0
313.11002	0.8
328.13162	3.6
329.13971	10.1
330.14209	0.8
340.99493	0.6
358.14294	2.0
432.10092	1.1
432.22305	1.0
438.17468	0.6
465.26480	2.1
480.25064	6.0
495.27493	72.4
496.27783	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	495.2602
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
50.04374	0.3
52.40166	0.3
52.49021	0.3
52.93099	0.3
55.01871	0.9
57.03454	1.4
58.00596	0.8
59.01380	100.0
60.01716	0.6
61.98837	2.6
68.55865	0.3
69.03461	0.9
71.01382	26.9
71.04137	0.3
72.99278	1.6
73.02946	15.3
83.01392	7.6
85.02955	6.8
87.00894	1.3
87.04505	0.4
89.02447	9.8
93.03498	0.9
95.01421	1.7
97.02975	1.4
99.00919	1.3
101.02443	19.5
111.00900	0.7
112.01682	0.4
113.02450	12.3
119.03515	3.9
121.02982	0.4
124.01678	0.4
125.02431	1.6
129.02002	0.4
131.03525	1.0
135.04552	1.0
143.03474	1.9
149.04538	1.9
150.03149	0.3
150.06909	0.4
151.07697	2.1
155.03566	0.5
161.04572	3.9
161.05908	0.5
164.08383	2.9
165.09256	0.4
173.04608	0.8
179.03572	0.5
179.05682	1.3
191.05630	0.8
221.06897	0.6
255.17651	0.8
263.20480	0.4
273.18765	1.4
275.16754	0.5
289.87146	0.4
291.19672	4.1
309.20920	0.6
315.16330	0.5
357.61200	0.4
380.16608	0.4
417.23038	1.8
420.19562	0.4
425.25684	0.4
432.10272	0.6
435.23871	18.0
436.24142	1.8
453.24918	31.0
454.25363	2.7
477.25101	0.9
495.26407	13.7
495.36899	0.6
496.26770	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2599
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
55.01856	1.5
57.03444	1.5
58.38196	1.1
59.01378	100.0
61.74209	0.9
61.98832	7.1
71.01380	29.4
71.55087	1.2
72.99315	2.5
73.02944	16.3
83.01395	6.5
85.02952	8.7
86.00107	1.4
87.00866	2.2
89.02438	7.6
90.96995	1.1
93.03449	2.1
95.01377	1.8
97.02932	1.2
99.00837	1.9
101.02445	20.9
109.06546	4.6
111.00874	1.3
113.02451	12.4
119.03487	2.5
121.06628	1.2
123.08180	1.3
125.02476	1.7
131.03514	1.0
134.03690	1.3
135.04550	1.6
136.05315	2.0
137.02438	1.2
143.03471	1.5
149.04526	0.9
149.06055	2.5
150.06856	2.8
151.07634	5.2
161.04608	2.3
161.06076	4.7
167.03400	1.1
187.07672	1.7
191.05598	2.2
203.10751	8.7
215.25578	1.0
233.08102	1.4
249.18604	2.4
255.17564	3.4
273.18396	2.7
275.16562	1.2
277.18134	1.4
291.16281	2.0
291.19693	4.5
312.05881	2.1
333.17148	4.3
393.22934	2.7
411.23996	1.9
432.10138	1.2
435.23825	40.2
436.24304	3.2
439.95712	1.2
453.24896	30.4
454.25064	2.9
480.23627	2.0
495.26062	48.6
495.37268	2.4
496.26480	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	495.2385
Annotation	CHEMBL485285
Peak:m/z	Relative Intensity
51.41494	1.3
58.10903	1.3
60.58417	1.1
61.98825	5.7
64.72665	1.2
67.01898	1.6
68.99815	1.4
71.01375	1.9
99.71750	1.4
101.27340	1.2
108.02159	1.3
108.95203	1.1
109.02956	10.6
111.00875	2.0
121.02969	6.4
121.26405	1.2
122.03741	7.5
123.00896	18.4
123.04517	4.1
124.01662	8.4
133.02910	1.9
135.04509	4.3
136.01654	37.2
137.02448	36.2
138.03253	12.0
147.04510	3.0
149.02408	1.9
150.03256	1.5
151.04007	44.1
153.01788	1.5
154.02710	3.3
160.05191	1.2
161.02406	3.8
161.06075	4.5
162.03210	15.5
163.04018	38.9
164.04575	2.1
175.03976	6.1
177.05557	19.4
179.03506	14.2
183.19911	1.3
189.05406	1.4
193.05064	6.3
241.05061	2.3
256.07443	1.7
267.06665	1.2
312.06161	2.1
327.08765	2.1
342.11066	100.0
343.11804	45.3
344.12265	2.0
360.79352	1.2
424.40549	1.4
432.10172	2.8
451.90186	1.1
466.20895	1.3
495.23883	96.1
496.24289	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	495.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.8
61.98834	11.5
67.01874	1.8
68.99815	2.3
71.01388	9.7
71.52773	1.4
71.53174	2.1
76.97389	1.5
92.39329	1.4
93.03452	1.3
95.01398	2.0
103.96018	1.2
104.99288	1.3
108.02162	2.6
109.02948	11.3
111.00871	3.6
121.02927	6.8
122.03781	6.3
123.00891	14.5
123.04487	3.7
124.01643	7.4
134.03705	1.5
135.04471	3.6
136.01665	28.6
137.02448	29.3
137.03502	1.4
138.03249	9.6
147.04564	1.8
149.02437	1.6
151.04012	36.2
152.01180	2.1
153.01877	2.5
154.02762	3.0
161.02426	4.1
162.03252	11.3
163.04015	35.5
175.03978	7.1
177.05553	14.5
179.03471	10.6
193.05049	7.9
241.05115	2.1
324.09976	2.1
342.11084	100.0
343.11609	13.1
413.12570	1.8
495.23904	80.2
496.24295	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	495.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.3
58.00592	2.0
59.01379	35.2
61.98832	9.9
69.03454	2.1
71.01379	25.4
71.05021	1.2
71.55086	0.9
72.99313	2.8
73.02948	3.1
75.00872	24.7
78.25578	0.8
78.91868	1.0
81.03456	0.9
83.01394	1.6
85.02943	7.6
87.00883	1.9
89.02442	33.3
95.01384	2.0
97.02971	1.9
99.00883	1.3
101.02448	17.8
105.03494	1.0
107.01408	0.8
108.02173	1.2
109.02954	1.3
110.42448	0.8
111.00878	0.8
113.02450	11.8
113.09720	5.2
115.07648	2.9
119.03501	14.2
121.02956	0.7
123.04527	3.5
125.02428	3.6
125.09748	1.7
129.01944	9.4
131.03476	1.9
135.04532	1.0
137.02441	2.2
138.51248	0.7
139.04019	9.0
143.03526	3.1
147.02969	3.3
149.02498	1.3
149.04562	1.6
151.00316	1.2
152.01099	2.0
161.02434	5.3
161.04536	3.6
163.03963	0.8
165.01926	12.7
167.03462	4.4
167.10725	1.5
168.00580	0.6
179.05617	10.9
183.02969	1.5
183.10297	1.1
183.30518	0.7
185.11821	100.0
186.12120	3.6
187.96190	0.7
189.04031	2.2
191.05647	1.0
201.11343	0.8
281.06873	1.0
309.08258	95.9
310.08582	2.9
333.11914	1.4
341.08887	0.9
345.08209	7.9
347.17172	2.4
435.25558	1.0
451.12854	1.1
495.20804	50.9
496.21170	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.8
61.98826	11.3
71.54012	2.1
71.54375	2.2
78.95908	2.1
83.55105	1.8
94.89320	1.5
108.02206	3.0
109.02953	8.5
121.02941	11.6
122.03754	8.4
123.00897	10.9
123.04520	3.7
124.01677	7.9
125.22087	1.7
133.02979	2.2
134.03748	2.0
135.04486	4.5
136.01657	43.1
136.02641	3.2
137.02446	38.5
138.03214	8.1
147.04463	2.4
151.04007	60.7
153.01955	3.0
154.02760	3.2
161.02342	4.2
162.03200	14.1
163.04007	36.8
164.04736	2.6
175.04008	9.3
177.05594	16.3
179.03499	17.8
190.06398	2.1
193.05093	8.1
215.34782	1.9
256.07397	2.1
324.10004	2.2
327.08655	4.2
342.11044	88.3
343.11819	100.0
344.12125	4.7
362.17374	2.6
495.23892	58.2
496.23737	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	495.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
59.01376	0.7
61.98830	6.6
71.01380	0.7
73.02943	0.6
78.09547	0.2
80.02688	0.2
85.02946	0.8
87.00851	0.2
89.02455	0.3
92.64084	0.2
93.03516	0.2
101.02451	0.3
108.02178	23.9
109.02995	2.2
113.02460	0.2
121.02988	0.3
123.00883	0.2
123.04530	11.9
124.04860	0.3
129.01915	0.2
132.05841	0.4
135.00917	0.2
135.04466	0.2
136.56090	0.2
145.65370	0.2
152.01158	47.1
153.01938	2.4
154.89076	0.2
164.04753	0.3
167.03499	100.0
168.03830	2.6
177.01913	0.4
183.10248	0.2
197.04590	0.2
201.12857	0.2
209.04488	0.4
229.30746	0.2
253.07054	0.2
289.18076	0.5
292.15399	0.4
305.86847	0.2
311.07684	0.4
315.03305	0.2
333.17120	1.4
341.08746	0.4
388.28763	0.2
407.90012	0.2
495.18753	10.2
496.19193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.7
59.01385	5.3
60.39992	0.5
61.36770	0.5
61.98830	4.2
69.03449	0.8
71.01383	2.0
71.54799	0.6
73.02945	1.3
79.05535	8.9
79.95739	2.6
80.96533	1.6
81.03465	6.5
85.02952	8.9
93.03470	2.8
95.01402	0.5
96.96011	14.9
101.02449	1.7
105.03454	5.4
110.00085	4.1
111.00940	1.2
112.58640	0.5
113.02445	1.2
119.05060	1.3
121.03014	1.3
122.03751	2.1
123.04530	100.0
124.04849	2.3
129.01929	2.6
132.05833	4.0
133.06589	0.7
134.79085	0.6
136.98886	0.9
137.02464	6.6
137.99557	1.8
139.00446	3.3
139.11330	1.4
140.00801	0.9
141.00854	0.9
145.02971	1.7
147.03116	0.6
147.04529	0.8
149.02438	30.9
150.02794	1.6
152.01147	1.0
161.02438	0.6
161.85306	0.6
164.04779	2.4
164.98557	3.4
165.05446	0.8
165.99074	5.5
166.02699	1.6
166.99684	3.0
167.03497	14.9
167.99614	2.5
173.00897	1.5
176.69904	0.5
183.10271	2.2
187.11308	8.0
191.01997	0.9
191.03514	0.8
193.98643	0.8
199.03995	0.6
209.04590	0.6
231.10265	14.5
232.10460	0.8
244.03464	0.8
245.03621	1.1
261.73108	0.5
271.02444	1.0
272.02759	0.9
287.01852	0.7
289.02338	0.7
313.12863	0.7
315.01477	1.7
316.02127	9.9
317.02365	12.0
318.02814	20.4
319.02887	0.6
331.04572	16.4
332.04871	17.7
333.05130	39.4
334.05344	1.2
348.59778	0.6
435.16611	1.0
490.49631	0.6
495.10391	13.8
495.18692	84.7
496.11179	0.7
496.19220	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	495.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63014	0.4
55.01865	0.6
57.03447	6.9
59.01380	3.4
61.98833	4.2
63.99412	0.4
68.99811	0.9
69.44935	2.9
71.01382	6.4
71.05016	0.5
73.02945	2.0
74.05395	0.4
75.00867	0.4
79.95733	0.8
81.03461	1.1
83.01386	1.4
85.02954	12.5
87.00922	0.5
89.02449	0.8
93.03446	1.9
94.62910	0.4
95.01408	0.9
96.96018	1.8
97.02943	1.1
98.20601	0.9
99.00887	0.9
99.04537	3.6
101.02443	4.6
108.02178	13.8
109.02978	9.5
111.00871	1.4
113.02436	4.8
113.71944	0.4
121.02955	1.8
122.03744	26.5
123.04527	100.0
124.04855	2.3
125.02438	1.4
125.06091	2.1
129.01939	2.9
130.28299	0.4
132.05833	0.5
133.06599	0.8
137.02446	8.8
139.11302	0.9
143.03481	1.5
147.03070	1.0
151.00522	0.4
152.01175	1.2
153.01945	0.4
159.02962	0.4
161.04564	8.7
167.03505	6.3
167.04797	0.8
168.00818	0.4
173.00952	1.2
183.10255	43.1
183.23042	0.5
184.10611	1.3
191.01932	1.2
201.11311	1.2
255.98578	0.4
259.13269	0.4
267.12311	0.4
285.09805	1.1
298.36362	0.4
311.07797	1.2
315.16083	0.5
327.14386	2.9
333.16907	0.8
333.20541	0.5
333.62265	0.6
346.98264	0.4
375.12863	0.8
451.19739	1.5
495.19098	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
59.01367	1.4
61.98830	7.6
70.84030	0.5
70.84362	0.5
71.01386	2.2
73.02940	1.0
79.05535	7.1
79.95692	0.4
81.03461	5.6
83.01387	0.5
85.02937	2.1
89.02436	0.4
93.03446	0.3
96.95992	1.8
99.04522	0.4
101.02446	1.4
105.03454	3.8
105.16895	0.3
108.02156	0.6
109.02946	0.4
111.00899	0.3
113.02471	1.0
119.05009	0.4
121.02930	0.5
122.03745	1.3
123.04527	100.0
124.04842	2.4
129.01906	0.5
135.04509	0.7
135.48676	0.3
137.06163	0.3
139.11272	0.3
147.04456	0.5
149.02440	24.8
149.05943	0.5
150.02750	1.0
152.01134	1.0
161.04550	0.9
163.04137	0.3
165.05569	1.1
166.02689	0.8
167.03487	12.2
168.03854	0.3
183.10266	2.0
191.03598	0.6
197.11929	0.3
209.04539	0.4
227.03424	0.3
254.91177	0.3
285.03656	0.6
286.04279	0.4
315.15945	1.2
329.08719	0.4
347.01230	0.3
382.29218	0.3
423.49020	0.4
432.10181	1.4
443.67847	0.3
495.18732	84.9
496.19064	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	495.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73523	0.2
57.03452	0.3
59.01379	3.0
61.98829	4.1
62.56680	0.2
69.03445	0.2
71.01371	1.5
71.07602	0.2
71.55430	0.4
73.02962	0.7
75.00866	0.3
80.02692	0.3
81.03491	0.4
82.14866	0.2
83.01367	0.3
85.02949	1.4
87.00881	0.3
89.02443	0.7
91.01894	0.2
93.03450	0.5
94.00455	0.3
95.01422	0.3
96.96008	1.0
101.02453	1.1
107.05033	0.3
108.02171	23.9
109.02964	0.9
111.00861	0.3
113.02425	0.4
119.03533	0.4
119.05025	0.8
122.03722	0.5
123.04522	13.1
124.01714	0.3
124.04784	0.2
125.02451	0.9
129.01941	0.6
135.08078	0.3
137.02431	1.2
139.11287	0.4
143.03552	0.3
145.02951	0.7
149.02455	0.5
150.03244	0.5
152.01146	47.7
153.01541	1.0
161.04526	0.5
163.04022	1.6
165.03992	0.4
165.05467	0.4
167.03487	100.0
168.00574	0.4
168.03828	2.6
177.01903	0.4
183.10251	2.5
184.60689	0.3
189.44012	0.2
191.05533	0.3
193.01532	0.2
193.05031	0.4
267.08694	0.3
271.05917	0.2
311.07718	0.9
315.15857	0.4
333.13181	0.3
333.17090	0.9
341.06564	0.5
345.15594	0.3
368.68320	0.3
495.13281	0.5
495.19598	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	495.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	32.9
59.01386	12.0
61.98832	35.1
65.22051	1.1
69.03463	1.2
70.12368	4.0
71.01384	46.3
71.04984	1.0
72.99332	1.3
73.02946	12.2
75.00871	2.0
81.03436	1.4
83.01376	6.7
83.05066	2.2
85.02456	1.7
85.02952	28.8
87.00869	1.5
89.02436	4.4
93.03455	3.0
95.01380	3.9
96.95982	2.8
97.02924	1.7
99.00875	5.3
99.04527	4.4
101.02446	26.3
107.05025	1.2
108.02175	14.0
109.02963	15.3
111.00835	1.2
113.02450	25.3
121.02963	4.0
122.03747	48.2
123.04533	100.0
124.04855	2.7
125.02444	2.7
125.06067	2.5
129.01953	2.5
135.04518	1.2
137.02440	12.1
139.11307	6.8
143.03477	4.0
147.02974	1.5
149.02458	1.4
151.00381	1.1
152.01167	4.0
159.02963	3.2
161.04561	41.3
165.05576	1.5
167.03520	6.6
173.00978	1.2
183.10262	90.3
184.10612	2.6
185.10236	1.8
185.11833	29.9
199.13420	1.7
201.11330	11.3
203.05606	0.9
208.12567	1.1
227.12920	2.0
267.08679	1.3
267.62579	0.9
267.96719	0.9
271.02441	2.1
275.35464	0.9
285.09781	7.6
300.02771	3.2
301.03540	2.7
327.14471	5.5
333.15817	1.5
433.07803	3.9
451.19678	3.8
495.18799	62.0
496.19080	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	495.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.8
59.01382	19.1
61.98832	97.8
69.03454	6.6
71.01384	28.2
71.05015	3.0
71.55791	1.2
72.99332	1.1
73.02950	11.1
79.95741	6.1
81.03481	1.7
82.82851	1.2
83.01396	4.9
83.05003	1.6
85.02951	24.3
87.00860	2.8
89.02447	3.7
92.84679	1.0
93.03475	6.1
95.01414	5.4
96.41621	1.3
96.96014	9.5
97.02958	1.7
99.00888	3.8
99.04520	5.2
101.02448	17.7
107.05058	1.7
108.02174	21.7
109.02962	32.3
111.00893	3.3
111.08212	1.3
113.02446	13.5
113.06113	2.2
115.04022	2.2
121.02985	3.6
122.03743	43.6
123.04534	72.2
123.08170	1.2
124.04843	2.2
125.02470	3.6
127.04012	1.7
129.01921	3.8
133.06609	7.8
133.10275	1.8
134.03755	1.6
135.04510	2.7
137.02441	13.0
137.09746	4.9
139.11288	29.4
143.03500	2.7
149.02446	1.9
151.03949	1.4
152.01118	3.6
159.02974	2.9
161.02516	2.0
161.04568	24.8
161.09607	1.6
163.07616	5.2
165.05611	2.2
165.09225	1.7
167.03485	8.9
173.00934	1.4
173.04614	1.4
177.05629	2.3
181.08716	3.1
183.10251	100.0
184.10577	2.5
185.68176	1.1
191.05655	7.1
193.05032	2.7
199.11342	3.2
201.11447	1.1
223.09781	2.0
225.11404	1.3
227.03488	1.8
228.03734	2.5
229.96413	1.2
247.09805	1.7
255.02959	2.1
256.03378	4.2
284.03281	2.5
285.03790	8.9
285.09781	3.2
286.04431	4.8
292.15515	1.7
315.16025	4.8
333.17096	8.3
421.07098	1.2
432.10245	14.7
433.09888	1.7
495.18851	73.2
496.19040	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	494.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
59.27975	0.2
60.84508	0.3
61.98829	100.0
69.27860	1.8
71.01362	0.6
84.42810	0.2
85.02925	0.3
86.33138	0.3
88.98801	0.4
89.02447	0.6
93.03455	0.3
94.41565	0.3
96.96018	0.3
98.20691	0.6
167.74995	0.3
173.04575	0.3
191.05609	1.4
210.78436	0.3
214.36093	0.3
252.75356	0.3
296.74240	0.3
314.33646	0.2
346.51651	0.3
518.16010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.98828	4.6
69.67329	3.1
71.40762	0.6
78.22109	0.5
78.95903	46.3
82.75996	0.5
96.96964	5.7
121.02965	3.3
146.03769	0.9
147.04469	0.9
149.02431	1.0
150.98007	1.3
152.99585	100.0
153.99915	0.8
160.05298	1.2
164.04776	4.3
166.34639	0.6
171.00632	4.4
173.06081	1.8
175.07622	1.1
177.05565	3.8
243.78934	0.5
329.14008	0.8
431.22003	30.3
432.22391	2.3
435.62927	0.5
495.27948	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	495.1146
Annotation	tarocin A1
Peak:m/z	Relative Intensity
55.92394	0.4
57.03436	0.8
59.01381	6.0
61.98830	11.2
68.99780	0.8
69.03458	0.5
71.01385	6.2
71.55338	0.5
72.99274	0.9
73.02935	2.2
75.00871	2.1
79.01894	0.9
79.95750	0.5
81.03471	1.8
81.19667	0.4
83.01376	2.0
85.02956	6.1
87.00869	0.8
89.02451	2.2
93.03459	0.6
95.01373	2.2
96.96014	4.7
97.02985	0.6
98.03254	0.5
99.00880	0.9
101.02446	3.8
107.01373	3.1
108.02177	58.1
109.02962	30.7
110.00124	0.5
111.00887	2.5
112.98750	0.6
113.02454	2.2
119.03455	0.8
119.05004	0.8
121.02973	4.7
123.00870	5.3
123.04559	1.1
124.01659	1.7
125.02419	1.6
127.00361	1.8
129.01913	1.1
135.00868	1.7
135.04568	0.8
136.98810	1.8
137.02448	3.4
138.03206	0.9
139.00362	1.9
139.04022	4.2
147.03026	1.1
151.00374	0.5
151.04008	0.9
152.01154	55.3
153.01949	22.1
153.05545	2.8
154.02664	0.5
155.10771	1.1
161.02486	0.8
161.04529	1.0
163.03989	1.3
165.01935	1.6
166.02681	0.6
166.99844	1.5
167.03452	1.6
168.00636	2.7
179.03526	0.6
181.01439	2.6
181.05002	0.4
182.02165	5.0
183.01370	0.8
183.02979	12.7
185.11790	1.2
196.03735	0.9
197.04565	7.7
201.11313	1.3
225.03995	1.2
237.04018	0.5
271.02563	0.5
284.06348	0.6
297.06216	0.6
311.07828	0.7
312.05777	1.5
315.07098	3.2
326.06332	0.8
327.07214	8.7
332.04175	0.7
333.05280	0.6
341.08740	2.8
347.17224	3.3
348.12689	0.4
358.29852	0.4
386.66617	0.5
432.10129	2.1
436.10226	0.5
451.12546	4.3
460.25436	1.0
463.08752	3.7
495.11450	100.0
495.20508	7.0
496.11804	9.5
496.22699	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	494.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15071	1.3
59.01361	1.1
61.98830	40.2
65.41146	1.3
77.03967	1.9
79.01881	1.9
93.03458	1.7
109.02927	1.4
117.03475	9.0
121.02922	2.8
135.04482	1.3
149.02406	2.3
155.22122	1.4
159.04530	2.3
161.02377	3.4
163.04012	3.9
165.01903	1.3
189.02020	1.4
203.03331	1.5
239.07237	1.7
268.03720	3.1
269.04471	2.6
270.14471	1.5
281.04468	2.9
282.05112	1.9
283.06104	52.2
284.06433	3.5
293.04471	2.8
295.06100	2.3
311.05615	88.1
312.05896	6.4
315.48270	1.3
323.05573	5.0
341.06573	9.1
401.72095	1.3
431.09790	100.0
432.10077	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	494.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08448	0.3
58.31316	0.2
59.01377	2.5
61.01807	0.3
61.98829	100.0
69.62772	1.1
69.63180	0.4
71.01393	0.7
85.02948	0.5
89.02432	0.4
101.02479	0.4
116.51882	0.2
118.98109	0.2
133.30440	0.3
151.00388	0.4
153.04294	0.2
166.28854	0.2
170.88208	0.2
191.05637	0.5
213.09389	0.3
240.04343	0.4
268.03757	11.2
269.04449	4.3
283.06143	0.6
311.05655	1.4
323.05603	0.3
431.09793	16.8
432.10040	1.4
433.24164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
59.01390	2.1
59.98717	0.2
61.98832	100.0
64.84412	0.2
69.31764	2.0
69.66884	0.2
73.02965	0.3
73.41156	0.2
78.49106	0.2
85.02951	0.5
89.02458	0.4
92.97746	0.2
101.02462	0.4
109.02956	0.5
113.02460	0.4
122.03773	0.5
123.04560	1.3
125.02467	0.3
137.02475	0.3
161.04546	0.6
164.37708	0.2
165.05672	0.3
183.10315	1.1
206.90211	0.3
213.88300	0.3
227.03499	4.7
228.03894	0.4
229.05196	0.3
255.02980	8.4
256.03738	1.1
257.04565	0.3
284.03278	10.0
285.04028	8.3
286.04419	0.7
402.61963	0.3
431.09833	19.0
432.10257	1.3
450.35657	0.2
459.37616	0.3
495.19135	0.8
517.76886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58622	0.7
52.60997	0.7
52.88312	0.8
52.96926	0.7
54.36532	0.6
55.01871	2.1
57.03435	4.0
58.00594	1.7
59.01379	51.2
60.26082	0.8
61.98833	8.8
69.03447	1.0
69.25230	6.5
71.01383	43.5
72.99303	2.7
73.02949	7.9
75.00856	1.0
81.03461	3.1
83.01379	9.9
85.02953	25.6
87.00873	5.5
88.93576	0.7
89.02444	39.5
93.03468	4.3
95.01370	3.9
96.96019	0.9
97.02911	1.6
99.00875	2.3
101.02445	31.1
107.05037	1.4
108.02166	1.4
109.02943	0.8
111.00868	2.0
113.02453	21.5
113.71208	0.7
119.03514	18.3
119.04957	5.0
121.02957	4.6
123.04539	12.0
124.01624	0.8
125.02454	5.4
129.01971	5.5
131.03505	6.1
132.05870	1.3
133.06601	2.4
135.04544	1.5
137.02455	1.5
143.03493	5.7
143.04933	1.0
145.02956	5.4
149.02510	1.1
149.04579	1.8
149.06068	3.3
151.00305	2.1
151.03973	2.1
152.01149	1.8
153.01872	1.1
153.05484	0.8
157.06602	1.1
159.02907	1.9
159.04340	0.8
159.08110	1.5
161.04576	17.3
161.06056	2.2
163.03954	1.3
167.03502	31.6
168.00632	0.9
168.03827	1.8
177.01930	1.8
179.05608	34.5
181.05229	0.8
185.06047	2.0
185.11897	1.1
186.15640	0.9
191.03496	3.4
191.05315	0.8
193.01385	1.0
193.05052	9.6
194.05499	0.8
197.04524	2.6
199.07703	0.7
199.11343	1.7
203.07162	3.6
209.04538	0.9
217.04849	0.7
219.03015	5.0
221.06671	19.7
227.07153	2.3
229.05037	4.7
243.06393	1.3
243.10321	1.1
255.02994	2.1
263.07712	8.3
271.06104	20.9
271.18976	1.4
272.06473	1.3
285.07565	1.6
287.09299	3.9
287.16556	1.6
297.04047	2.1
298.04773	1.3
311.09177	0.8
313.07166	100.0
313.14581	2.5
314.07608	6.5
325.41452	0.7
327.32095	0.7
331.04495	1.9
331.08270	6.0
331.12952	3.9
331.15640	0.9
331.17453	2.3
332.08502	0.7
355.10635	1.1
361.18509	0.8
373.22385	1.9
414.98407	0.9
415.23932	0.8
433.24460	23.1
434.24713	1.2
493.13489	21.8
493.22803	8.4
494.14261	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
59.01379	100.0
60.01714	0.5
61.98833	1.1
69.19141	2.0
71.01385	3.8
73.02937	1.3
74.61131	0.2
83.01389	0.5
85.02946	1.3
88.98828	1.0
89.02448	2.7
93.03455	1.4
101.02435	2.5
113.02439	1.8
119.03531	0.7
121.02978	0.5
137.02441	0.7
149.04562	0.2
159.02963	0.3
161.04637	1.2
174.97290	0.2
179.05658	0.5
191.05603	0.4
193.05132	0.4
279.98752	0.2
362.99954	0.3
373.22507	0.8
391.23444	2.5
393.51251	0.2
433.24399	6.5
433.29880	0.5
434.24765	0.4
493.26556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.2
57.03448	13.1
58.00590	2.8
58.67705	0.9
59.01380	100.0
59.65686	1.0
61.98838	12.4
64.82304	1.0
67.01859	1.1
69.03439	1.0
69.36417	0.9
71.01382	60.9
72.99308	4.2
73.02950	11.2
75.00864	1.4
75.37842	1.2
81.03432	5.6
83.01385	15.4
83.05095	1.3
85.02950	52.2
87.00880	5.9
87.04495	2.2
89.02448	47.4
93.03450	5.3
95.01395	5.6
95.05032	2.7
96.96009	4.3
97.02950	3.3
99.00880	5.5
99.04579	1.8
101.02444	48.0
105.03490	2.0
107.05037	4.0
108.02155	1.2
109.02969	2.9
111.00887	5.2
113.02451	28.3
117.03441	1.7
119.03512	19.6
119.05002	9.0
120.99657	6.7
121.02959	13.9
122.00172	1.2
122.03749	1.3
123.00879	1.9
123.04533	8.4
124.04897	1.4
125.02446	57.0
129.01959	9.6
131.03488	2.9
133.02969	3.6
133.06595	3.4
134.03645	1.6
135.04523	4.7
136.04860	1.8
137.02435	5.3
137.06087	4.6
137.09708	1.5
139.04002	2.7
143.03496	6.5
145.02975	2.8
147.03004	2.0
149.02446	12.7
149.04523	3.2
149.06041	1.3
150.03223	14.8
151.04016	3.2
152.01132	1.1
153.05545	3.6
155.10759	4.9
159.02995	3.4
159.08197	1.6
161.02516	10.4
161.04556	29.7
161.05948	1.0
162.02803	5.0
163.02927	2.3
163.04126	1.6
164.04782	1.5
165.05565	20.7
166.05998	1.3
167.03484	23.0
169.01389	1.0
173.00887	1.9
175.00368	3.3
175.04076	1.2
177.01788	1.0
179.03532	8.6
179.05605	17.0
179.07030	1.9
180.04175	1.4
182.02173	2.4
183.10202	5.0
185.11771	1.2
188.04808	1.2
189.05513	2.2
190.02730	6.5
191.03467	4.9
191.05531	1.6
193.05167	2.2
197.04578	11.6
199.09703	2.6
201.09225	2.3
203.07169	3.0
205.05066	6.5
207.02995	1.3
208.03560	1.1
209.04529	20.1
209.06337	1.5
209.08073	0.9
210.05045	1.0
215.07018	1.3
221.04524	2.0
225.09232	1.4
233.04539	1.9
239.05498	5.7
245.08182	3.5
251.05573	2.1
265.07117	3.5
267.10822	1.4
271.06189	2.0
271.19217	6.5
286.01221	1.4
287.09198	2.0
329.03128	1.8
331.08411	3.7
331.17685	1.8
333.19293	2.4
341.08820	3.1
347.09753	1.4
367.10303	4.4
369.08908	4.7
369.59433	2.3
373.09277	42.2
374.09726	3.7
403.10364	19.3
404.10556	2.8
415.09793	1.5
415.23248	7.2
433.24396	87.3
434.24713	7.1
449.14050	10.6
475.12454	2.1
493.12857	25.6
493.23071	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	493.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09959	0.4
54.57074	0.4
56.56253	0.5
59.01378	100.0
60.01716	0.8
61.98836	1.0
70.66290	1.2
71.01392	2.1
71.93251	0.4
72.62890	0.4
73.02928	0.5
75.00857	0.6
75.20702	0.4
80.36165	0.4
81.87530	0.4
85.02973	1.2
87.00876	0.7
89.02454	2.0
93.03462	0.8
96.10043	0.4
96.70303	0.4
96.96008	0.6
101.02451	1.6
113.02489	0.9
119.03502	0.8
124.07674	0.6
134.06120	0.9
139.13025	0.4
161.04561	0.6
173.04622	0.7
180.06683	0.7
184.76941	0.5
191.05603	0.9
213.71669	0.5
273.36328	0.4
297.60944	0.5
303.13519	0.6
305.05396	0.4
319.21259	0.5
330.12393	0.7
331.13000	14.5
332.13156	0.6
433.24283	0.9
493.18607	0.7
493.26389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58622	0.7
52.60997	0.7
52.88312	0.8
52.96926	0.7
54.36532	0.6
55.01871	2.1
57.03435	4.0
58.00594	1.7
59.01379	51.2
60.26082	0.8
61.98833	8.8
69.03447	1.0
69.25230	6.5
71.01383	43.5
72.99303	2.7
73.02949	7.9
75.00856	1.0
81.03461	3.1
83.01379	9.9
85.02953	25.6
87.00873	5.5
88.93576	0.7
89.02444	39.5
93.03468	4.3
95.01370	3.9
96.96019	0.9
97.02911	1.6
99.00875	2.3
101.02445	31.1
107.05037	1.4
108.02166	1.4
109.02943	0.8
111.00868	2.0
113.02453	21.5
113.71208	0.7
119.03514	18.3
119.04957	5.0
121.02957	4.6
123.04539	12.0
124.01624	0.8
125.02454	5.4
129.01971	5.5
131.03505	6.1
132.05870	1.3
133.06601	2.4
135.04544	1.5
137.02455	1.5
143.03493	5.7
143.04933	1.0
145.02956	5.4
149.02510	1.1
149.04579	1.8
149.06068	3.3
151.00305	2.1
151.03973	2.1
152.01149	1.8
153.01872	1.1
153.05484	0.8
157.06602	1.1
159.02907	1.9
159.04340	0.8
159.08110	1.5
161.04576	17.3
161.06056	2.2
163.03954	1.3
167.03502	31.6
168.00632	0.9
168.03827	1.8
177.01930	1.8
179.05608	34.5
181.05229	0.8
185.06047	2.0
185.11897	1.1
186.15640	0.9
191.03496	3.4
191.05315	0.8
193.01385	1.0
193.05052	9.6
194.05499	0.8
197.04524	2.6
199.07703	0.7
199.11343	1.7
203.07162	3.6
209.04538	0.9
217.04849	0.7
219.03015	5.0
221.06671	19.7
227.07153	2.3
229.05037	4.7
243.06393	1.3
243.10321	1.1
255.02994	2.1
263.07712	8.3
271.06104	20.9
271.18976	1.4
272.06473	1.3
285.07565	1.6
287.09299	3.9
287.16556	1.6
297.04047	2.1
298.04773	1.3
311.09177	0.8
313.07166	100.0
313.14581	2.5
314.07608	6.5
325.41452	0.7
327.32095	0.7
331.04495	1.9
331.08270	6.0
331.12952	3.9
331.15640	0.9
331.17453	2.3
332.08502	0.7
355.10635	1.1
361.18509	0.8
373.22385	1.9
414.98407	0.9
415.23932	0.8
433.24460	23.1
434.24713	1.2
493.13489	21.8
493.22803	8.4
494.14261	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48597	0.4
56.73981	0.3
57.03440	0.5
59.01378	100.0
60.01712	1.3
61.01782	0.6
61.98827	4.9
71.01377	7.8
71.54684	0.4
72.99303	0.6
73.02960	1.4
74.02499	0.4
83.01408	0.5
84.43483	0.4
85.02962	2.4
87.00894	1.1
88.98817	0.9
89.02436	5.9
90.39200	0.4
93.03468	2.0
95.01428	0.4
96.96014	0.5
101.02450	5.0
105.01920	0.7
113.02440	2.6
119.03505	2.8
125.02441	0.4
131.03470	0.4
134.35265	0.3
137.02434	0.7
143.03564	0.6
149.04576	0.6
150.03407	0.4
159.03079	0.5
161.04607	2.4
173.04579	1.0
177.60945	0.3
179.05644	1.4
191.05623	1.3
196.07809	0.5
223.76161	0.4
226.12451	1.4
259.20343	0.3
269.12933	6.3
270.13425	0.5
313.11920	5.0
331.13110	1.1
433.24417	13.7
434.24765	0.8
493.11893	0.6
493.18097	0.7
493.27530	2.0
497.76334	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2439
Annotation	Glabcensin L
Peak:m/z	Relative Intensity
50.29434	2.5
55.01871	3.0
57.03434	11.7
57.89010	2.7
59.01383	100.0
61.98834	28.4
70.68087	7.5
71.01383	57.5
72.99303	4.6
73.02940	18.5
83.01395	11.0
85.02957	37.5
87.00873	8.7
89.02452	19.8
93.03455	3.9
95.01419	7.0
99.00872	5.6
100.76327	2.7
101.02441	27.8
107.05043	3.1
111.00875	17.0
113.02448	16.5
119.03506	5.0
119.05079	6.0
121.02946	16.2
125.02457	3.3
129.01932	5.1
130.51247	2.8
132.05824	3.1
132.73300	2.5
133.06610	4.6
135.04538	4.3
137.02444	5.8
137.06088	4.3
139.00362	4.5
144.97736	2.6
145.02979	5.4
147.03006	3.7
152.04745	5.2
155.10716	5.1
155.14865	2.7
161.02428	4.5
161.04596	3.0
163.04002	6.7
166.99864	2.7
167.03491	4.7
183.10246	3.3
191.01982	4.5
241.15997	4.3
251.12891	3.6
252.33403	3.8
259.17047	4.5
265.07227	5.6
271.17050	23.7
273.18564	8.8
287.16638	3.4
289.14673	6.2
289.18066	26.7
316.02438	12.6
331.04572	22.0
331.14713	3.6
370.63635	3.3
433.22366	78.2
434.22964	4.1
451.23410	88.8
452.23706	5.9
475.23206	11.5
493.10181	8.7
493.24838	87.0
494.25327	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	493.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45024	0.2
59.01377	66.6
60.01707	0.6
61.51831	0.2
61.98830	0.9
63.69157	0.3
69.25964	2.1
71.01382	4.7
73.02943	4.4
73.90929	0.2
81.03464	0.8
83.01395	0.8
85.02954	1.3
87.00887	0.4
89.02447	2.5
93.03461	4.7
95.01385	0.6
101.02442	3.5
106.04247	5.1
107.05035	2.0
108.02205	1.2
113.02444	2.3
119.03526	0.9
119.05024	15.1
120.05374	0.5
135.04500	0.9
136.01637	0.6
137.02499	4.1
137.06079	100.0
138.06406	2.8
149.04524	0.3
161.04532	0.8
179.07158	4.1
191.96487	0.3
230.19586	0.3
294.96780	0.3
431.09601	0.4
433.18494	0.6
493.20346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2293
Annotation	Rhodioloside B
Peak:m/z	Relative Intensity
50.72471	0.6
53.34221	0.7
55.01880	6.4
57.03439	5.0
58.00593	4.7
59.01381	100.0
60.01714	0.8
61.98836	7.1
69.03480	1.8
71.01382	81.4
71.54347	1.0
72.01739	0.9
72.99299	5.0
73.02553	1.4
73.02950	19.3
75.00876	2.5
81.03493	1.2
83.01387	12.1
85.02955	31.0
87.00864	5.7
87.04485	1.2
88.98815	0.8
89.02448	65.5
90.02793	0.8
93.03506	0.9
95.01389	7.2
96.96027	3.9
97.02955	6.6
99.00887	5.3
101.02448	74.4
102.02795	1.0
103.00376	1.3
103.03996	1.1
107.63238	0.8
108.02144	0.8
109.02958	1.3
111.00904	2.1
113.02457	34.8
114.68610	0.6
115.04035	1.7
116.24705	0.6
118.98127	1.0
119.03516	31.3
119.04929	1.4
120.03688	0.7
121.02956	1.3
123.00909	1.1
123.04534	1.2
124.01678	2.4
125.02469	9.3
129.01968	3.9
131.03500	4.9
133.03017	1.0
134.03755	0.7
135.04547	1.4
137.02455	1.8
137.09808	0.7
139.03986	4.1
140.04381	1.3
141.04640	0.6
143.03510	11.9
145.02992	0.8
149.04549	2.8
149.99574	3.9
151.00383	1.0
155.10791	3.9
159.03017	2.8
159.10336	1.0
161.02618	3.5
161.04564	31.2
163.04073	0.9
167.03453	2.0
168.00662	9.5
169.01405	1.6
169.12343	0.8
174.63203	0.7
179.05614	31.3
180.05942	0.9
183.10274	0.6
185.11861	1.3
197.04504	0.8
199.09807	1.6
205.03505	2.7
206.25508	0.7
221.06595	3.6
239.05643	1.0
263.07693	3.7
271.19083	1.6
287.14999	0.8
313.05661	1.0
315.01498	1.6
316.02148	0.9
331.06885	7.6
331.13904	1.1
331.17609	21.9
332.18225	0.9
433.24353	10.9
493.09286	13.9
493.22943	69.7
494.10339	1.2
494.23434	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	493.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	31.4
61.98823	8.1
63.77611	2.0
67.30359	2.0
70.14097	4.0
70.14508	7.2
71.01388	16.2
85.02940	2.7
89.02452	16.7
101.02450	8.2
113.02457	8.0
119.03507	7.6
143.03471	2.4
143.16891	2.5
161.04486	2.7
179.05644	7.1
269.19049	6.4
287.20108	6.8
311.05640	9.6
313.18076	16.5
331.19138	100.0
332.19656	5.5
373.19949	5.5
431.09821	11.2
493.24429	69.2
494.24844	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	493.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69175	0.2
59.01379	10.5
61.98811	0.8
65.03980	0.3
69.03481	0.3
69.97839	0.3
71.01382	5.3
73.02950	6.2
83.01397	2.2
85.02966	1.0
89.02453	1.7
93.03455	90.6
94.03786	1.9
95.01385	3.4
101.02444	5.6
106.00568	0.5
108.02181	3.4
113.02444	2.2
119.03510	0.5
119.05042	1.3
131.03569	0.3
135.04509	0.3
136.00131	0.3
136.01662	13.0
137.02440	100.0
138.02753	2.3
140.48186	0.3
149.04559	0.6
161.04520	0.7
163.04005	1.1
191.05591	0.4
198.04616	0.3
227.14436	0.5
271.13361	3.1
272.13574	0.3
289.14581	0.5
311.05670	0.3
375.52841	0.3
376.33475	0.3
389.19745	1.0
407.20795	1.0
433.18643	1.2
451.19620	2.1
493.20801	16.6
494.21103	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	493.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77057	0.2
59.01378	9.6
61.98826	0.6
62.09110	0.2
64.25458	0.2
65.03963	0.6
69.03466	0.3
69.28159	1.4
69.28576	0.5
69.89297	0.2
71.01379	5.5
72.99304	0.4
73.02946	5.6
74.19372	0.2
83.01382	1.7
85.02947	1.0
87.00852	0.2
89.02438	1.6
92.02677	0.5
93.03457	94.4
94.03786	1.9
95.01393	3.5
101.02444	5.1
101.06071	0.3
108.02167	2.7
113.02459	2.4
119.03525	0.6
119.05011	1.5
123.00905	0.5
125.02402	0.2
131.03491	0.4
135.04485	0.3
136.00598	0.5
136.01659	12.1
137.02443	100.0
138.02783	2.8
143.03539	0.3
147.07813	0.2
149.04576	0.3
161.04599	1.0
163.03993	1.1
173.04567	0.2
179.05551	0.2
183.04668	0.2
195.58386	0.2
214.51093	0.2
227.14436	0.7
271.13330	2.6
287.13849	0.3
289.14999	0.2
311.05493	0.3
343.19046	0.2
389.19589	1.1
407.20834	1.3
431.09729	0.4
433.18698	1.1
451.19617	1.6
493.20779	17.1
494.21075	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	493.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	6.8
57.03465	1.5
59.01382	13.4
65.88049	0.7
71.01377	8.7
71.54596	0.9
72.99304	2.1
73.02941	2.1
75.00876	52.8
78.95947	0.7
79.95708	1.1
83.01386	1.9
85.02946	7.6
87.00860	0.8
89.02439	4.8
96.96014	13.8
97.02984	1.2
101.02448	5.8
101.89467	0.7
111.00861	0.9
113.02434	1.6
121.02962	1.6
121.06528	0.8
123.04524	0.9
123.83193	0.7
125.02481	4.3
125.06107	1.3
129.01939	10.4
137.02448	1.2
139.07669	7.0
147.02957	2.2
149.02422	1.2
161.02385	1.0
161.04501	1.0
161.05962	0.8
165.05504	1.5
167.07092	6.3
179.05620	1.2
183.10272	10.4
185.83701	0.7
191.05637	0.9
191.14661	0.7
193.38470	0.8
197.11792	4.3
203.07144	1.0
225.11282	6.4
241.00177	2.6
245.08112	1.7
250.21942	0.8
289.07159	6.6
299.77603	0.8
326.21930	0.8
327.09378	1.6
407.06332	1.7
449.07462	5.1
449.20120	2.5
468.94223	0.9
493.07019	2.7
493.19226	100.0
494.19656	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	493.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	17.7
61.98828	100.0
76.31518	12.7
78.83238	13.2
92.01248	13.2
143.88519	15.3
158.41904	13.4
171.10284	19.6
202.03992	14.1
209.11809	61.9
229.29202	23.2
259.02496	16.3
283.05963	20.9
311.05566	40.2
379.03854	17.0
431.09686	59.8
475.26883	19.3
493.27502	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96812	0.8
55.57230	0.8
59.01380	5.9
60.99307	12.7
61.98833	5.1
65.46556	0.7
71.01379	2.8
72.99298	1.2
83.01412	1.1
85.02947	1.8
87.00884	1.8
88.00395	3.7
88.98808	100.0
89.02445	44.9
89.99162	1.7
90.01955	2.1
98.02459	1.5
98.19864	1.9
99.00832	1.0
99.05657	1.0
101.02425	1.3
113.02445	1.7
123.04556	0.9
125.02464	1.6
130.08713	2.2
133.06558	0.8
145.02832	1.3
150.77544	0.7
167.03529	2.4
179.05627	0.8
180.80486	0.8
191.05634	2.5
203.04991	1.8
205.05162	0.8
209.04523	2.3
211.04947	1.4
223.10831	1.0
267.09814	5.4
311.12668	1.3
372.10168	1.2
373.10400	4.0
373.77347	0.8
431.15930	3.9
439.12311	2.0
475.18622	2.6
493.09250	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07872	0.7
55.01863	3.4
57.03435	3.8
58.00585	2.3
59.01381	53.6
61.98833	7.6
69.03449	9.0
69.30611	7.6
71.01382	32.8
71.05004	1.8
72.99314	4.3
73.02960	5.1
74.99057	1.1
75.00872	27.0
83.01357	2.4
85.02951	9.6
87.00851	3.0
89.02446	37.9
90.02682	1.0
95.01372	2.0
96.95978	1.3
99.00832	1.7
101.02448	21.8
103.04004	0.9
108.02200	1.1
109.02932	1.5
110.56373	0.8
111.08105	1.6
113.01706	1.4
113.02448	15.6
117.01939	1.3
119.03503	16.9
120.01203	1.2
121.02939	1.4
123.04459	1.6
125.02429	2.2
129.01952	11.5
131.03523	1.3
139.11290	7.6
143.03477	4.2
146.24640	0.9
147.02954	3.6
147.48247	0.8
149.04501	1.4
151.00299	1.0
151.03940	0.8
153.01900	1.9
155.10796	5.7
161.02451	1.2
161.04555	4.9
161.05789	1.2
163.15161	0.7
164.51189	0.7
167.03445	1.4
168.04164	1.4
177.01834	0.9
179.05598	14.6
181.08696	1.5
183.06595	2.2
183.10249	14.6
185.65472	0.9
189.04018	2.5
189.95197	0.9
199.09726	2.6
218.85464	0.7
221.08200	0.9
236.92368	0.8
239.09111	1.3
309.08270	100.0
310.08521	4.5
311.10025	4.2
331.08081	2.8
345.15332	1.6
403.10934	0.9
433.24826	1.8
465.14828	0.9
484.98651	0.9
493.19092	55.3
494.19403	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	493.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64972	3.9
59.01375	44.4
61.98822	16.7
70.65443	10.9
71.01379	43.7
72.76598	4.6
73.02938	6.0
83.01416	5.3
85.02950	21.3
89.02448	39.3
90.94547	4.2
97.02939	9.4
101.02428	13.8
101.99936	4.5
111.00880	6.7
113.02459	8.3
119.03535	5.6
121.02946	6.9
123.04521	6.0
125.02443	21.7
128.43074	4.3
129.01923	8.6
145.02966	5.1
148.05283	15.9
149.04526	10.6
167.03397	8.1
181.05020	23.3
182.05338	16.5
191.05663	8.1
193.79408	4.9
233.06664	19.7
293.08777	100.0
313.07129	19.0
372.12881	5.1
457.17151	11.0
493.14658	53.5
507.22455	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	493.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.2
58.93542	0.4
59.01376	7.7
60.01215	0.4
61.98825	1.0
65.03921	0.5
67.01910	0.7
69.03451	1.9
69.64752	2.9
71.01383	4.7
71.07187	0.4
73.02970	2.6
74.26657	0.4
81.03451	6.2
83.01382	5.7
83.05032	3.0
85.02955	3.0
89.02451	2.3
93.03463	1.7
95.01363	0.5
95.05051	2.5
96.81255	0.4
96.92423	0.5
96.96022	0.5
97.02943	2.2
99.04511	5.2
101.02451	3.4
101.74949	0.4
107.05032	2.0
108.02117	0.5
109.02956	1.3
109.06592	1.0
111.04531	3.2
113.02457	1.6
113.06048	0.9
115.03992	1.2
119.05032	1.0
121.02935	0.7
121.06622	0.9
123.04529	6.7
125.02440	2.8
125.06089	1.1
135.04517	2.1
137.02446	1.4
137.06082	4.8
139.03999	2.2
141.05592	3.7
147.04535	0.8
149.06129	2.7
151.03996	4.1
151.07658	0.6
153.05550	1.4
155.07155	0.5
157.05183	0.4
161.06055	1.1
163.03987	1.2
163.07671	0.7
165.01942	1.0
165.05544	1.9
167.03506	4.8
167.07121	1.2
171.06609	0.6
173.08128	0.5
177.01790	0.6
177.05547	1.0
179.03490	1.1
179.07123	0.8
181.05075	2.1
189.05472	0.5
191.03481	1.1
191.05487	0.5
191.07135	1.3
193.05048	8.4
197.04655	1.0
203.09167	0.6
205.05042	1.4
205.07170	1.7
207.06700	1.2
209.04568	2.8
214.40926	0.5
219.03093	0.7
221.04553	1.3
223.06070	1.7
235.06113	17.7
236.06537	0.7
247.06125	1.5
251.05486	0.9
254.12297	0.4
265.07150	5.9
277.07175	1.7
289.06628	0.6
289.09357	2.0
295.08060	0.6
301.09149	0.6
307.08246	0.5
313.09265	1.3
331.10330	13.9
336.88840	0.5
337.09326	0.9
343.10196	3.1
355.10260	2.7
361.11368	2.0
373.11377	100.0
374.11713	5.3
385.11487	2.6
403.12408	37.3
404.12875	2.3
415.12521	1.0
418.49429	0.5
433.13657	0.7
457.13437	1.0
475.14493	5.6
493.15277	13.7
494.15857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24471	0.8
56.60596	0.9
57.03448	11.1
59.01382	13.8
61.98811	2.1
68.17151	0.9
68.69284	0.8
69.12135	1.0
71.01384	7.3
73.02929	2.6
73.22977	0.8
81.03446	5.4
83.01386	14.4
85.02952	14.6
87.00839	1.1
89.02447	6.1
91.35403	0.8
93.03469	4.9
95.01371	1.5
95.05030	4.3
97.02941	2.8
99.04517	2.5
101.02437	5.9
107.05010	3.8
111.00869	2.1
113.02458	5.3
115.03959	1.0
117.03459	0.9
119.03503	2.4
119.05025	12.3
120.99630	1.5
121.02975	5.4
122.02506	1.1
122.03701	1.4
123.04530	9.3
124.01714	1.2
125.02450	100.0
126.02739	3.0
129.01942	4.6
131.56000	0.8
133.06601	4.5
135.04501	2.2
137.02440	4.1
137.06061	5.3
139.04007	3.3
143.03551	1.3
147.00844	0.9
147.02907	1.3
147.04469	0.9
149.02432	7.9
151.03967	2.7
153.05559	1.6
155.03461	1.4
155.10776	5.0
159.08162	1.8
161.04514	3.2
161.06055	3.0
163.00320	0.9
163.03990	2.0
164.04759	2.6
165.01929	1.5
165.05573	2.6
166.02705	1.0
167.03485	33.5
175.00363	5.7
176.01131	1.2
179.03517	5.8
179.05634	1.4
179.07098	1.0
180.04227	2.8
181.05002	1.9
182.02121	1.6
185.11768	1.3
190.02705	11.8
191.03453	2.7
192.73093	1.0
193.05043	1.1
197.04564	6.1
199.07640	1.7
199.09714	2.1
201.09167	5.5
203.07111	3.7
205.05026	11.1
209.04533	34.4
221.04541	1.2
223.06119	2.3
225.09146	1.5
239.05533	11.3
243.10239	2.0
245.08145	4.6
265.07230	2.2
267.10324	1.2
271.18823	1.0
285.07739	1.5
287.09363	1.7
311.09879	2.1
313.07083	1.1
325.09406	1.3
329.10129	2.3
331.08188	3.7
341.08780	2.7
343.08353	1.1
367.10397	9.3
373.09268	76.1
374.09549	4.5
403.10315	29.7
404.10870	1.7
433.24472	5.9
449.14502	2.6
461.61221	1.0
475.12332	3.7
493.13538	12.9
493.19806	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32226	1.9
53.10864	2.0
59.01378	100.0
61.58463	1.8
61.64045	1.9
61.98833	36.5
65.18423	1.8
69.51069	11.8
71.01392	10.4
73.02940	2.7
75.00842	2.7
78.41080	1.7
78.66120	2.0
85.02966	4.4
87.00851	2.2
88.72340	2.3
89.02469	8.3
93.03421	2.8
101.02448	6.2
101.47380	2.2
113.02420	2.4
115.61393	2.0
118.98104	6.6
121.02925	2.6
125.02419	3.7
130.08742	2.4
131.03522	2.4
149.02437	4.4
150.03224	10.8
163.14697	2.2
165.05540	11.8
183.10226	3.4
191.05595	8.5
233.06694	2.1
283.06155	3.5
285.04160	2.5
293.08673	9.4
311.05612	5.8
373.22278	6.5
391.23352	5.2
431.09793	11.8
433.24234	2.7
457.26639	2.7
493.14545	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	493.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
57.03444	4.5
58.00611	1.7
58.21948	0.6
59.01381	100.0
61.98825	9.7
63.77040	0.6
65.00339	3.4
67.01918	0.7
69.03468	1.6
69.77561	3.8
71.01382	53.6
71.05045	0.9
72.99297	3.5
73.02946	16.5
75.00886	5.0
75.01287	0.9
79.95747	0.7
81.03474	1.6
83.01393	14.2
85.02953	20.6
87.00889	5.0
88.98798	1.4
89.02442	34.1
93.03468	4.0
93.42811	0.6
95.01392	5.9
95.05052	0.7
96.96000	1.4
97.02953	7.7
98.20671	0.6
99.00873	3.7
99.04518	1.1
101.02441	48.6
102.02818	0.8
107.01382	6.1
107.05032	1.0
108.02171	2.7
109.02963	4.0
111.00860	1.4
113.02451	22.4
115.04022	1.8
119.03497	13.9
119.04946	0.9
121.02969	3.1
122.06193	0.6
123.04486	1.5
124.01638	2.4
125.02451	21.6
129.01910	1.5
131.03497	3.8
133.02965	2.8
135.04529	3.5
137.02446	2.4
137.06058	2.4
137.09714	1.9
139.04005	4.0
143.03503	9.2
149.02446	0.9
149.04549	1.3
149.06000	0.9
150.03046	0.6
151.00368	34.9
151.04012	1.8
151.90880	0.6
152.01054	1.5
153.01883	0.8
153.09206	0.8
155.10782	6.1
159.03018	1.6
159.04320	0.6
161.02493	10.9
161.04550	30.7
161.05876	1.3
162.04826	0.8
167.03500	4.6
168.00674	0.9
169.01421	12.6
169.26390	0.7
175.00375	2.0
177.01920	2.1
177.05551	0.8
177.09230	0.8
179.03546	2.7
179.05611	24.6
181.05037	0.9
183.10179	2.4
191.03430	0.9
191.05562	1.2
193.01361	1.7
199.09779	4.3
203.07181	1.4
221.04585	1.4
221.06554	8.5
221.08322	0.8
239.09302	0.8
257.04471	1.2
263.07660	6.7
299.05457	1.2
313.07190	1.2
315.01328	0.9
323.07547	1.1
327.05069	0.9
329.06567	4.8
331.08411	3.9
331.13983	1.3
331.17468	6.2
373.22214	2.8
391.23376	6.3
433.19305	0.7
433.24487	10.2
449.10648	2.3
493.09634	42.9
493.23553	22.5
494.09753	4.0
494.22202	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	493.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
57.03451	7.5
58.00589	1.1
59.01379	38.9
60.16242	0.4
61.98828	5.6
65.00323	9.7
69.03434	0.5
71.01382	20.2
71.55194	0.6
72.99314	1.7
73.02944	7.0
74.81257	0.5
75.00879	1.8
81.03466	1.4
82.39276	0.5
83.01393	10.3
85.02947	8.4
87.00883	1.7
87.04501	0.5
88.98801	1.3
89.02446	14.3
93.03455	13.9
95.01405	2.9
95.05018	0.7
95.50722	0.5
97.02935	3.6
99.00912	0.9
101.02441	20.2
107.01390	14.8
107.05064	0.7
108.02160	0.7
109.02960	2.3
111.00887	0.8
113.02441	9.4
119.03522	6.2
119.05012	0.6
121.02947	8.3
122.06081	0.7
123.04491	1.4
124.01670	1.8
125.02450	43.9
129.01981	0.8
131.01355	1.1
131.03505	1.5
132.02164	0.8
133.02951	7.2
133.65973	0.5
135.04521	7.2
137.02452	3.3
137.06056	2.2
137.09686	1.6
139.04008	1.6
143.03435	2.7
149.02467	1.9
149.04559	0.6
149.06056	0.6
150.03198	0.6
151.00368	80.4
151.03893	1.3
152.00800	2.1
155.10789	5.9
159.02966	1.2
161.02444	21.3
161.04524	9.8
161.05945	0.9
162.02675	0.6
163.04054	0.7
165.01939	2.2
167.03487	2.5
168.00618	1.2
169.01422	29.2
175.00386	4.2
177.01874	1.2
177.05569	1.2
177.09233	0.8
179.03531	4.5
179.05629	8.5
179.07085	0.5
181.05002	0.5
183.10216	2.7
185.11882	0.5
191.03462	0.9
193.01430	3.3
195.86464	0.5
199.09753	2.6
203.03578	0.6
207.03117	0.7
211.02528	1.0
217.01300	0.8
221.04564	1.3
221.06639	1.6
221.08395	0.8
239.09225	0.8
263.07745	1.6
267.10748	0.8
271.09714	0.6
281.06818	0.7
287.09216	0.8
323.07672	3.8
329.06644	1.4
331.08109	2.0
331.14319	0.9
331.17691	2.3
391.23480	1.8
424.14359	0.5
433.24426	6.2
449.10733	2.5
475.08575	0.9
493.09842	100.0
493.17209	6.2
493.23114	6.9
494.10184	7.2
494.22409	0.6
504.44281	0.6
516.21667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0987
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
52.36862	0.2
54.47000	0.2
59.01367	0.3
61.98820	0.5
65.00316	0.8
73.04273	0.2
82.00582	0.3
85.02946	0.3
92.81874	0.2
93.03458	0.3
95.01358	0.4
108.99293	0.2
110.00092	8.6
111.00896	1.9
116.30719	0.2
121.02942	0.6
123.00912	0.5
124.98813	0.3
125.99607	0.5
136.98793	1.8
137.99588	5.1
139.00369	8.7
139.03999	0.8
141.99127	0.2
145.02985	0.3
149.02444	2.7
149.99590	0.8
151.00352	0.3
153.99171	0.2
163.00383	0.2
164.98293	4.3
165.99069	17.3
166.99866	4.3
171.04547	0.7
172.65573	0.2
173.02408	0.3
174.03207	0.6
175.00378	0.4
176.01048	0.2
177.01836	0.2
177.99057	0.7
178.99837	1.0
187.03946	0.5
193.98581	1.4
194.99350	0.4
199.04027	1.3
200.04497	0.2
201.02005	0.3
205.98528	0.5
206.99301	0.4
215.03571	1.1
216.04291	0.5
219.02882	0.4
227.03442	0.7
229.01346	0.4
230.02118	0.3
231.02971	0.5
232.03842	0.3
242.02133	0.4
243.03027	2.7
244.03683	0.7
245.00865	0.4
251.05836	0.2
255.02950	0.8
259.02438	0.8
270.01590	0.4
271.02472	2.8
272.03287	0.2
285.34695	0.2
286.01007	0.2
287.01926	2.8
290.14630	0.2
315.01443	11.5
316.02222	58.8
317.02560	3.0
330.03784	5.3
331.04572	100.0
332.04929	5.5
441.89743	0.2
493.09857	24.5
493.21298	0.7
494.10165	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	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32156	0.8
57.03440	1.0
59.01378	100.0
60.01702	1.6
61.98832	7.4
69.16468	9.8
71.01381	15.9
72.99306	1.5
73.02689	0.7
73.02951	7.2
75.21809	0.7
83.01390	2.5
85.02967	6.9
89.02453	3.7
93.03459	4.9
95.01395	1.7
99.00875	2.0
101.02442	11.9
109.02989	1.1
113.02462	6.3
117.30177	0.8
119.03522	1.4
119.05031	2.1
122.29652	0.9
122.73667	1.0
125.02414	2.2
135.04488	7.1
137.02464	10.2
161.02444	1.8
161.04507	4.2
163.03960	1.4
176.04892	1.0
179.03523	11.4
183.10197	1.0
194.05800	1.8
209.08202	2.1
225.11378	1.0
225.14937	4.1
227.16576	2.0
243.12314	5.7
244.10597	1.0
265.27576	0.9
269.17560	1.5
281.06702	8.1
287.14990	2.4
327.07147	1.0
371.20593	10.2
389.16855	1.2
389.21796	16.8
399.19809	1.0
431.22845	13.5
432.22635	1.0
447.22589	4.1
491.15875	6.8
491.21838	1.3
518.76245	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.6
60.01719	1.2
61.98832	100.0
64.30542	0.3
64.75568	0.3
65.00318	0.4
69.41174	0.3
69.49502	0.6
69.49915	1.1
71.01386	2.5
71.45719	0.3
72.01744	0.3
72.99335	0.4
73.02951	0.9
79.09641	0.3
85.02480	0.3
85.02934	1.4
87.00904	0.3
89.02423	1.5
93.03465	0.5
100.29871	0.3
101.02444	1.9
102.02822	0.3
109.02948	0.3
111.00906	0.4
113.02444	1.0
119.03517	0.5
119.05050	0.4
121.03020	0.3
123.04546	0.4
125.02460	0.6
131.03589	0.4
133.02962	1.1
134.03365	0.3
135.04546	1.0
136.98869	0.5
137.02444	0.3
137.06093	0.4
139.00420	0.4
139.04037	0.6
149.02467	1.3
153.01962	0.5
154.02744	0.3
155.10808	1.3
159.04520	0.4
161.02435	3.1
161.04564	0.8
162.02840	1.3
163.04042	0.6
164.98302	1.0
165.99130	1.3
167.03531	0.6
171.04572	0.5
174.03413	0.3
175.00427	1.0
177.99094	0.6
178.99826	0.9
179.05678	0.5
181.05099	0.4
183.10286	0.8
189.01913	0.4
191.05762	0.4
194.42952	0.3
199.04013	0.5
199.09750	0.7
203.03520	0.4
205.05203	0.3
215.03532	1.1
231.03046	0.9
243.03047	0.9
249.03818	0.4
259.02597	1.2
270.01746	0.8
271.02371	1.8
285.95514	0.3
287.01984	6.4
287.04892	0.5
305.39664	0.4
315.01474	17.4
316.02228	4.1
316.05603	0.4
323.08014	0.4
330.03784	10.0
331.04578	5.6
331.13937	0.5
433.24335	0.4
448.13382	2.1
492.12097	0.4
493.09711	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	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01377	100.0
60.01725	0.8
61.98846	0.9
71.00460	1.0
71.01385	2.8
73.02948	1.1
82.85143	0.4
83.01395	0.3
85.02977	1.3
89.02467	0.8
99.00909	0.5
100.53035	0.4
101.02428	2.1
113.02485	1.3
135.04552	0.4
144.87286	0.4
161.04539	1.0
217.68097	0.4
226.73727	0.4
227.12927	0.4
371.20728	2.1
389.21790	2.5
415.51151	0.4
431.22702	2.8
491.21762	1.2
491.31244	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01721	0.8
61.98831	10.6
70.02959	0.5
71.01380	8.1
71.31490	0.7
73.02946	11.8
75.00881	0.6
81.46466	0.5
83.01387	2.9
85.02940	3.0
87.00883	0.7
88.98810	0.4
89.02441	4.6
95.01393	1.0
101.02440	18.3
101.03107	0.9
101.47294	0.4
103.00394	1.5
109.02929	0.6
109.75144	0.4
113.02448	5.7
119.03494	2.7
121.02888	0.4
125.02444	1.0
128.14841	0.6
131.03531	1.6
143.03513	1.9
149.04565	4.1
151.00351	0.9
161.04562	6.8
166.02713	5.3
173.04480	0.6
179.05672	1.3
181.05046	9.3
182.05507	0.6
183.05762	0.6
191.05629	1.2
203.05611	1.1
213.17186	0.5
221.06731	1.8
272.63580	0.4
275.04718	0.5
371.20709	2.2
389.21777	2.7
431.22900	4.3
491.24866	1.0
491.30957	2.9
495.68793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01721	0.7
61.98832	2.9
63.23442	0.2
66.87159	0.2
71.01392	0.9
71.53866	0.3
73.02955	0.3
85.02965	0.7
85.67587	0.2
89.02448	0.3
91.48027	0.3
95.01431	0.3
101.02476	0.7
108.02162	6.3
109.02955	3.2
112.35449	0.2
113.02416	0.3
119.05018	0.5
132.02187	0.6
133.02945	0.5
134.03741	1.3
135.04521	9.6
136.04884	0.4
152.01151	8.5
153.01945	2.5
160.01668	3.6
161.02437	2.6
161.04515	0.4
163.03998	0.3
175.03995	3.2
179.03491	9.4
180.03958	0.3
190.55742	0.3
193.05008	0.7
201.81384	0.3
256.03366	0.4
257.03592	0.3
284.03296	0.5
285.03644	0.4
286.03952	0.4
315.07245	2.2
323.07880	0.3
371.20670	0.5
389.21759	1.1
431.22821	0.7
447.13174	0.3
491.11908	13.9
491.19080	0.7
492.12219	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01376	100.0
61.98540	0.8
61.98827	6.1
69.20831	2.2
69.21244	6.0
71.01016	1.0
71.01384	13.1
73.02949	6.2
73.69815	0.7
81.03447	3.3
83.01386	2.8
85.02935	4.5
87.00858	2.8
87.04509	5.6
89.02444	6.5
93.03460	2.7
95.05000	1.3
97.02933	1.7
99.00881	1.1
99.04516	2.5
101.02447	9.0
113.02441	5.8
117.03465	7.6
119.03481	3.3
120.01182	1.0
125.02421	1.8
143.03482	1.0
149.04538	2.0
151.07683	1.4
161.02316	1.7
161.04469	4.3
163.03954	0.9
167.03500	18.4
179.03464	1.0
179.05606	1.6
181.08624	1.1
191.03441	2.3
191.05557	3.1
193.05083	0.7
206.02245	2.4
209.04520	2.6
235.02509	3.5
311.10208	1.1
317.15979	4.6
329.06171	1.8
359.17139	9.1
371.09836	1.4
397.07675	3.1
405.21176	2.6
431.22745	3.2
446.92957	1.1
447.22314	1.9
491.10574	1.8
491.16614	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	491.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75535	0.3
56.92542	0.4
59.01371	2.2
71.01380	4.4
71.21726	0.6
73.02952	4.1
75.00875	1.0
87.00871	2.7
89.02448	24.2
103.04032	1.8
120.08527	0.3
123.04513	2.2
131.03505	6.9
149.04558	100.0
150.04872	1.3
167.03566	0.4
207.09993	0.4
329.08841	1.5
410.98877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
59.01381	3.7
61.98823	1.3
69.03453	0.3
69.74323	1.4
69.94188	0.2
71.01405	0.8
73.02954	0.4
78.91889	0.4
81.03458	0.3
85.02979	0.8
89.02439	0.3
91.56384	0.2
92.73309	0.2
93.03467	1.2
96.96010	1.5
100.30694	0.2
101.02440	0.3
108.02236	0.3
113.02454	0.5
119.05035	100.0
120.05371	2.9
123.04568	0.3
132.05797	0.8
133.06580	0.5
135.04565	0.3
137.02469	0.3
137.06046	0.3
139.11368	0.4
145.02925	1.6
147.04536	0.4
149.02393	0.3
151.03999	0.5
153.05595	0.4
163.04019	86.6
164.04381	2.3
167.03506	0.5
167.10791	0.3
179.03416	0.3
182.93156	0.2
183.10204	1.1
191.05472	0.3
205.05048	0.4
209.04568	0.4
211.78654	0.2
241.15982	1.9
271.02469	0.3
285.14859	0.4
287.09247	0.3
299.01978	0.4
307.08154	0.8
315.05023	0.3
325.09299	0.3
329.03146	0.3
329.06534	0.9
329.13806	2.5
330.14136	0.3
368.08206	0.3
369.05948	0.7
371.07495	1.0
447.20258	0.3
491.11792	1.9
491.18915	8.8
492.19360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.4
69.03458	0.8
70.00243	2.1
70.00639	1.5
71.01410	1.3
73.20910	0.8
80.30566	0.7
81.03464	5.5
83.01392	6.3
83.05068	0.8
85.02958	1.8
93.03426	2.0
95.01393	1.5
95.05035	3.8
97.02938	2.2
99.04507	2.5
102.24801	0.7
107.04999	1.5
108.53179	0.8
109.02934	0.9
111.04510	1.7
119.04995	1.4
121.02940	1.7
123.04539	12.5
125.02437	6.8
127.03998	0.9
135.04523	2.1
137.02443	3.1
137.06126	5.3
139.04033	6.5
141.05545	1.4
149.06070	0.9
151.03979	2.3
161.06076	1.5
163.04025	2.7
165.01895	2.2
165.05560	2.7
166.02682	1.2
167.03500	25.3
177.05508	1.1
179.03522	5.6
179.07123	1.1
180.04173	0.9
181.05077	1.8
189.05591	1.6
191.03520	1.4
193.05037	3.0
197.04555	4.0
205.05089	1.0
207.06689	1.1
209.04549	44.1
210.04820	1.5
219.06598	0.9
221.04567	11.0
223.06036	1.5
233.04529	1.3
235.06131	3.1
239.05611	15.1
239.07822	1.3
251.05606	100.0
252.06036	4.0
263.05582	5.3
265.07220	1.4
269.06680	0.9
275.05597	0.8
281.06665	60.2
282.06979	3.3
293.06638	4.1
311.07718	16.3
323.07764	1.6
335.07892	1.1
353.08810	5.3
371.09781	17.3
372.10172	1.4
383.09763	3.8
401.10962	1.4
473.12994	1.4
491.14056	11.0
492.15466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.3
68.99792	0.7
69.03467	0.5
71.01381	0.5
71.24174	0.9
81.03466	6.3
83.01378	4.3
88.10542	0.5
93.03474	1.1
95.05034	8.4
97.02954	2.0
99.04532	2.8
99.05088	0.5
105.03429	0.6
121.02940	1.3
122.03748	1.0
123.04530	10.1
125.02451	13.1
137.02425	1.0
137.06108	11.1
139.04001	2.1
141.05577	1.6
147.04538	0.7
149.02431	1.3
151.04005	0.7
163.04007	1.7
165.01953	0.6
165.05585	3.3
166.02663	0.5
167.03511	31.8
168.03830	1.3
175.00345	1.1
179.03493	5.1
180.04214	1.7
181.05060	2.6
189.01878	0.7
191.03508	8.0
193.05074	0.9
197.04973	0.5
200.44534	0.4
205.05057	4.6
206.02129	0.6
207.02931	1.3
208.03647	1.0
209.04555	100.0
210.04892	3.4
221.04570	1.9
223.06071	0.8
233.04555	21.2
234.04883	0.9
239.05583	3.2
250.59270	0.5
251.05580	4.5
251.52606	0.5
263.05606	2.0
281.06619	1.5
311.07629	2.4
329.08841	1.1
366.91434	0.4
371.09814	84.7
372.10260	5.7
401.10910	2.5
481.62210	0.4
491.14111	9.3
492.13998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40102	0.3
54.31867	0.3
59.01367	1.4
69.03460	0.6
69.27512	3.0
69.27829	0.3
71.01378	5.6
73.02940	4.7
79.59021	0.4
87.00867	2.4
89.02440	26.7
101.02477	0.7
103.04000	2.1
119.67913	0.3
122.10188	0.3
129.13646	0.4
130.75870	0.3
131.03493	5.9
149.04547	100.0
150.04903	2.3
193.15564	0.4
237.91464	0.4
324.27155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
61.98831	1.3
66.64098	0.5
67.94591	0.4
71.01379	1.6
71.53326	1.0
81.03456	5.2
83.01380	4.6
85.02937	0.9
87.00903	0.9
89.02441	0.9
92.17315	0.5
93.03458	1.3
95.01402	0.5
95.05027	7.1
97.02952	2.2
99.04530	1.9
101.02447	0.7
105.03463	0.6
109.02922	0.7
113.02452	0.7
119.04964	0.6
121.02940	1.8
121.56653	0.6
122.03738	1.2
123.04531	10.9
125.02451	14.9
135.04558	0.6
135.11176	0.5
137.02441	2.2
137.06079	9.8
139.04051	3.0
139.05017	0.5
141.05573	1.4
149.02435	1.4
151.04002	1.3
163.03970	1.8
165.01929	1.5
165.04291	0.8
165.05562	4.8
166.02672	0.5
167.03496	35.8
168.03720	0.6
177.05562	0.8
177.63445	0.6
179.03473	5.7
179.05083	0.7
180.04315	2.6
181.05084	2.7
189.02014	0.7
191.03503	9.9
191.05585	4.7
193.05014	0.9
205.05087	3.3
207.02979	1.6
208.03772	0.5
209.04544	100.0
210.04887	3.4
211.35638	0.5
221.04530	2.1
223.06018	0.9
227.78644	0.5
233.04535	20.7
239.05667	4.5
251.05573	4.7
263.05618	1.9
281.06659	1.0
311.07651	1.5
317.69354	0.6
329.08884	1.9
353.08835	0.7
371.09802	87.9
372.10217	5.5
389.31183	0.5
401.10760	2.1
491.14038	9.6
492.14407	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	491.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.4
59.01377	11.8
60.99007	0.9
60.99306	14.6
61.98816	3.7
71.01386	2.2
71.53709	0.4
71.54073	0.6
73.02956	0.8
75.00855	0.6
80.81707	0.5
81.03431	0.6
83.01364	0.6
83.05062	0.4
85.02954	0.9
87.00877	1.2
88.00411	1.1
88.98804	100.0
89.02442	11.3
89.99136	0.9
93.03462	0.6
99.04484	0.5
101.02444	2.8
107.60080	0.5
112.65992	0.4
113.02451	1.3
116.94820	0.4
117.03506	0.9
123.04530	1.7
125.02437	0.7
132.68964	0.4
135.04506	1.1
149.02451	3.2
161.02367	0.5
161.04630	0.9
167.03484	3.9
171.00488	0.5
191.05719	0.8
209.04573	1.5
239.05606	0.9
317.23730	0.5
329.08698	1.7
401.14459	1.2
431.23166	1.0
491.16306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.0
59.01377	5.4
61.98819	0.9
63.34848	0.8
68.81725	0.7
69.03455	1.4
70.28125	3.2
71.01379	7.6
72.99304	0.9
73.02956	5.6
75.00854	1.4
77.33810	0.8
81.03452	6.4
83.01389	10.4
85.02940	2.9
87.00858	2.4
89.02447	27.0
93.03439	2.0
95.01429	1.2
95.05009	5.0
97.02941	2.8
99.04501	2.1
101.02434	1.8
103.04015	1.6
105.03484	0.8
107.04985	1.5
108.02213	1.1
109.02975	2.1
109.06548	0.9
111.04509	2.2
113.02456	1.5
119.05014	1.1
121.02950	2.8
123.04522	19.2
124.01698	0.9
125.02428	8.9
131.03508	7.5
135.04526	4.3
137.02426	3.1
137.06104	7.5
139.04036	6.8
141.05562	1.0
147.04469	1.4
149.02466	5.7
149.04555	100.0
150.04837	2.1
151.03958	3.1
152.04179	1.1
153.05469	0.9
161.06104	1.5
163.03979	3.8
163.07614	0.8
164.04791	1.2
165.01938	2.7
165.05624	4.5
167.03488	31.2
167.32674	0.8
177.05504	1.6
179.03473	6.4
179.07187	1.2
180.04153	1.6
181.05035	2.8
189.05638	1.2
191.03569	2.0
191.05563	1.3
193.05083	5.0
194.05896	0.9
197.04552	3.9
205.05119	0.9
207.06642	1.3
209.04543	44.5
210.04901	1.2
221.04555	10.5
223.06171	2.4
233.04536	1.7
235.06142	1.6
239.05614	12.2
251.05606	87.7
252.05902	3.5
263.05627	4.8
265.07068	1.5
269.06784	1.0
281.06665	56.0
282.07056	2.0
293.06549	4.2
294.39056	0.9
311.07745	16.1
323.07938	1.7
329.08575	4.4
353.08734	7.2
371.09848	35.2
372.10156	2.7
383.09937	4.4
401.10812	2.6
473.12927	1.8
491.14053	32.9
492.14337	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	491.1198
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
54.86510	0.9
59.01387	6.3
59.63489	1.0
61.98828	2.0
63.84679	0.7
69.47061	6.6
71.01388	2.9
73.02936	1.6
79.05532	2.3
81.03458	1.7
85.02954	2.6
87.42061	1.0
89.02422	1.0
98.19906	1.9
99.07620	0.9
101.02473	2.7
105.03465	13.5
113.02464	1.4
117.03449	1.4
122.03720	2.4
123.04528	23.1
132.02147	1.3
133.02966	26.6
134.03725	1.2
135.04541	19.1
149.02451	29.3
150.02803	1.1
159.00926	1.4
161.02446	100.0
162.02792	3.2
167.03474	14.3
177.05577	3.3
179.03491	12.9
187.00378	8.2
190.91763	1.0
206.22479	0.9
221.04529	3.1
289.08905	0.8
309.89322	0.9
323.07709	11.2
323.33319	0.9
329.08871	1.4
447.06808	1.8
447.12903	32.9
448.13080	2.8
473.10895	1.5
491.11969	86.8
492.12003	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	491.1197
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
50.15921	0.4
59.01382	16.8
61.98833	1.7
62.80237	0.4
68.95599	0.4
69.03468	0.5
71.01378	2.8
73.02943	1.0
81.03473	1.2
83.01407	0.8
85.02958	2.7
87.66084	0.3
89.02434	0.5
92.28654	0.4
93.03462	1.1
95.01417	1.0
98.20660	1.1
101.02457	2.0
107.01440	0.6
108.02178	44.6
109.02963	20.7
111.00903	0.6
113.02457	1.6
117.03496	0.9
119.05019	0.8
121.02943	1.4
123.00902	0.9
123.04531	1.6
125.02427	0.5
132.02180	4.7
133.02985	3.7
134.03745	7.2
135.00934	0.9
135.04565	4.3
137.02434	1.1
145.02959	0.9
149.06129	1.1
151.03995	0.7
152.01158	55.4
153.01952	18.0
154.02299	0.5
155.56487	0.4
160.01666	24.4
161.02449	16.1
161.04462	0.6
162.02763	0.8
163.04016	1.4
165.01961	1.2
167.03488	2.1
175.04001	22.3
176.04254	0.7
177.05608	0.5
178.02766	0.4
179.03499	4.2
179.05081	0.5
183.10297	0.4
188.88963	0.4
191.05672	0.4
193.05058	3.3
195.02975	0.4
210.83298	0.4
221.04587	0.5
227.03482	1.2
228.04143	0.7
229.03931	0.7
229.25024	0.5
243.06621	0.6
255.03003	2.0
256.03348	1.9
257.03436	1.8
284.03333	2.2
285.03702	2.8
286.03894	4.2
287.04572	1.3
288.96735	0.5
297.06342	0.4
315.07236	13.4
316.07529	0.7
323.07681	3.1
329.02951	0.5
337.09293	1.1
431.22934	0.7
447.12936	1.7
459.09277	1.0
491.11935	100.0
492.12302	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	490.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.2
61.98831	63.1
63.85492	1.7
71.23039	3.3
78.95902	14.7
95.42411	1.6
109.02958	7.5
111.00851	2.5
123.00861	9.9
123.04525	1.7
124.01647	7.7
137.02480	2.4
138.03203	2.5
147.04539	4.5
151.03996	4.0
152.99564	3.5
161.02478	2.6
162.03180	4.7
163.04012	36.0
164.25272	1.8
173.02481	1.8
175.03978	2.7
177.05606	10.7
185.24457	1.8
188.04919	2.5
189.05609	2.2
192.55577	1.5
193.05060	4.6
200.11588	1.8
207.06569	1.8
211.13411	4.1
223.13310	1.8
293.21210	9.6
298.08450	8.4
309.07602	2.6
313.07169	3.2
340.09399	2.8
343.08118	5.1
358.10571	61.9
427.17590	100.0
428.17923	7.3
490.25821	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	491.1196
Annotation	Betuletol 3-galactoside
Peak:m/z	Relative Intensity
50.66370	0.6
54.14016	0.6
56.70903	0.6
59.01385	7.8
60.62313	0.7
61.98827	5.5
69.50463	4.4
71.01383	1.6
71.65560	0.6
73.02930	1.0
74.09319	0.7
74.76266	0.7
75.30122	0.8
85.02943	2.0
87.00912	0.7
88.98802	2.3
101.02469	1.0
102.30478	0.6
119.05024	2.0
121.02934	1.5
123.04516	0.8
131.03508	1.0
135.04518	1.1
137.02467	0.8
145.02975	1.1
154.04214	0.9
156.02226	1.4
163.04019	2.1
167.03426	1.0
182.03673	1.2
183.10257	1.0
186.03273	0.9
191.05591	1.1
198.03201	2.2
214.02759	1.1
215.03477	0.8
226.02690	3.2
227.03477	1.3
227.06970	1.0
227.10654	0.8
229.05107	2.9
241.16098	0.8
242.02206	10.5
243.02802	1.5
254.02240	1.4
257.04663	0.9
269.04745	1.4
270.01688	56.3
271.02451	28.1
285.04028	16.7
285.15085	1.0
286.04529	1.2
298.01111	5.1
299.02066	4.7
313.03543	59.6
314.04272	22.8
315.04813	1.1
329.06696	9.3
329.13901	6.8
341.10846	0.9
380.28378	0.7
476.09555	10.5
491.11969	100.0
492.12372	7.2
517.19800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28378	0.7
57.90573	0.7
59.01386	1.4
60.50517	0.6
61.31554	0.6
61.98829	100.0
65.30827	0.8
67.72671	0.6
71.01401	1.5
71.54736	0.6
78.95924	1.0
85.02985	0.8
98.42500	0.6
113.02511	1.4
123.00897	1.1
124.01678	0.9
125.02483	0.8
136.01712	0.9
151.03981	1.1
163.04028	3.5
176.86641	0.8
177.05675	0.7
177.12561	0.7
188.04730	0.9
251.03514	0.7
345.30182	0.9
358.10495	7.1
415.99753	0.8
421.62500	0.9
427.17697	11.6
489.34549	2.1
490.24686	0.9
490.34305	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	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
57.03450	1.9
57.08676	0.3
59.01379	100.0
60.01715	0.7
61.98840	1.0
65.00336	0.3
67.41917	0.3
69.26252	0.7
69.26661	1.9
70.67371	0.3
71.01379	4.6
71.75596	0.2
72.99321	1.1
73.02938	1.7
75.00875	0.3
75.28676	0.2
83.01369	1.5
84.02174	0.3
85.02953	10.8
85.03471	0.5
87.00908	0.3
87.59395	0.3
89.02441	1.7
91.01945	0.2
95.01404	0.4
98.30083	0.3
99.00899	0.5
101.02433	2.8
107.01427	0.4
109.02972	0.4
111.00897	1.2
113.02451	1.7
116.60355	0.2
119.03512	0.4
119.05006	0.3
121.02958	0.4
123.04550	1.1
123.79404	0.3
125.02434	0.8
129.01942	5.0
132.02179	0.4
133.02939	0.6
134.03793	0.5
135.00821	0.3
135.04504	0.5
135.11775	0.3
139.04129	0.4
143.03548	0.5
143.04939	0.3
147.03001	0.7
147.04503	0.8
151.00368	0.5
159.02953	0.3
161.02457	1.1
161.04555	1.1
163.00406	0.3
163.04053	0.4
167.03502	2.9
167.04793	0.4
168.03905	0.2
173.00888	1.6
173.04582	0.4
173.05946	0.3
175.89149	0.3
179.10818	1.3
185.06133	0.4
187.03984	0.4
187.07661	0.4
189.05600	0.4
191.01996	0.7
191.05615	1.0
193.05028	0.3
197.11742	0.3
211.03931	0.6
227.03488	8.3
228.03891	0.4
229.04999	1.5
235.06087	0.5
241.10855	0.5
244.83777	0.3
255.02982	19.9
256.03619	1.6
257.04468	1.0
277.07126	0.5
283.02444	0.3
283.10477	0.5
284.03250	32.5
285.03986	11.2
286.04413	0.5
297.13354	0.7
325.07269	0.6
327.05225	0.3
341.05841	0.5
369.19016	1.2
387.20078	1.6
429.16788	2.4
429.22314	0.6
445.20615	0.3
447.09308	1.1
471.16357	0.4
489.10352	21.9
489.22623	2.3
490.10632	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	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.10944	0.6
57.03448	4.8
58.00600	3.0
58.17912	0.5
59.01384	20.7
59.22828	0.5
60.07269	0.6
61.98829	4.4
69.03458	6.0
71.01382	15.0
71.05010	1.6
72.99300	2.1
73.02964	3.0
75.00876	1.9
81.07088	0.7
82.45310	0.6
83.01374	2.0
85.02954	20.4
86.03732	1.1
87.04508	1.2
89.02449	3.6
93.03467	1.3
93.07114	4.6
95.05006	1.4
96.96022	0.6
97.02925	0.8
97.06603	1.4
99.00871	1.5
99.08125	2.0
101.02457	4.9
105.01911	1.0
109.02933	1.0
109.06616	5.2
111.00871	2.3
111.08167	5.9
113.02491	2.8
113.06092	0.8
119.03490	0.6
119.05021	1.0
121.02932	2.4
121.06559	0.9
123.04536	0.9
123.08175	3.2
125.02413	1.0
125.06105	3.2
127.07659	21.6
129.01947	4.2
134.03738	2.4
135.04549	1.1
137.02429	0.7
137.06099	14.1
139.11288	6.5
141.82103	0.6
145.02965	0.7
147.03001	1.8
151.04028	0.9
155.07147	16.1
161.09642	0.7
163.11328	1.2
165.09248	4.1
167.03476	1.7
169.12244	0.6
173.00940	1.4
173.04576	0.9
174.03206	0.8
175.03967	0.7
179.10786	0.8
181.12233	0.8
183.10265	27.1
184.10637	1.2
189.05553	1.3
191.01991	1.5
191.05551	0.9
193.04961	1.6
197.11818	16.8
207.10300	2.8
209.11499	0.6
216.79028	0.6
225.11322	32.7
226.11664	1.5
227.03423	1.0
255.02956	2.1
255.12276	1.5
283.13416	1.0
284.03244	3.6
285.04089	1.3
285.13489	1.7
299.01947	0.8
323.13528	0.7
327.12396	2.0
369.13425	1.0
489.23383	100.0
490.23801	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	489.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01715	0.6
61.98830	4.7
64.74619	0.3
71.01393	2.3
71.11566	0.5
73.02970	0.8
85.02975	0.7
87.00858	1.4
89.02454	0.5
96.96012	0.4
101.02435	1.6
110.39050	0.3
110.42948	0.3
113.02454	0.6
114.12189	0.3
115.00357	1.8
134.91113	0.3
161.04649	0.4
166.71948	0.4
175.02513	3.8
225.15038	0.9
254.64990	0.3
294.27682	0.3
369.19241	1.5
387.20276	3.1
406.35748	0.3
429.21381	1.3
454.13300	0.3
471.17123	0.3
489.23776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04996	0.2
51.82240	0.2
57.03450	1.1
59.01379	100.0
60.01721	0.9
61.98834	0.6
63.00521	0.2
69.32311	1.7
69.32722	0.6
71.01369	1.3
73.02953	1.1
83.01430	0.4
85.02948	6.9
88.98806	0.4
89.02445	0.6
101.02455	0.7
105.53731	0.2
111.00891	1.1
113.02490	0.3
115.66988	0.2
119.03531	0.4
121.02966	1.7
129.01947	2.6
134.03728	1.2
138.00414	0.3
147.03049	0.4
149.04561	0.4
161.04614	0.3
161.06078	0.3
163.04042	0.4
173.00958	0.7
175.04079	0.3
189.05649	0.4
193.05119	0.8
207.13892	0.4
227.03558	0.7
255.03125	0.7
256.03610	0.3
264.43640	0.3
284.03308	1.2
285.04031	0.6
309.17163	1.1
327.18210	0.5
358.19632	0.3
365.58130	0.3
369.19330	0.5
387.20538	0.3
429.21295	0.6
479.84653	0.3
489.10876	1.0
489.23636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77248	0.6
57.02055	0.8
57.03461	1.4
58.00587	1.7
59.01379	100.0
61.98832	1.5
69.42812	5.7
71.01384	24.7
72.99308	4.2
73.02945	30.7
81.03478	0.8
83.01398	1.6
83.28838	0.8
85.02950	11.9
86.00157	0.8
87.00867	7.6
87.04508	3.7
89.02441	23.9
97.02972	0.9
99.04546	0.9
101.02441	51.6
103.04005	20.6
113.02432	3.7
115.04010	8.1
118.22532	0.7
119.03496	11.2
125.02463	3.4
127.04030	1.8
131.03499	8.5
143.03499	12.5
145.05067	7.4
161.02481	1.0
161.04576	1.1
163.06119	84.4
164.06509	2.1
179.05664	2.1
191.05565	0.9
197.11835	1.7
205.07155	24.3
221.06779	1.0
235.08185	1.4
241.10681	0.8
265.09271	7.8
307.10541	1.1
325.11365	1.2
332.30173	0.8
429.17511	14.7
445.17395	1.2
489.19955	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.1
57.03448	2.9
59.01377	100.0
60.01719	1.7
61.98825	8.1
68.47644	1.7
71.01378	69.5
71.54670	2.4
72.99323	2.0
73.02940	15.5
83.01402	7.2
85.02939	27.3
87.00892	4.2
89.02440	27.6
89.02946	2.4
90.93007	1.7
94.86960	1.5
95.01389	4.9
96.96982	1.5
97.02985	2.2
99.00878	5.5
101.02438	44.8
111.87492	1.6
113.02447	27.1
119.03506	9.1
119.04961	1.5
125.02496	2.1
131.03566	1.8
134.03714	2.7
135.04506	1.8
135.59877	1.5
142.60968	1.4
143.03494	6.4
147.97437	1.5
149.04517	3.6
149.06065	2.0
151.46822	1.5
158.20940	1.5
159.02930	5.5
161.04549	52.5
161.05898	3.7
175.02582	1.9
175.03961	1.9
179.05548	6.5
189.09200	2.1
191.05591	3.9
193.05032	2.9
201.09158	4.4
207.10222	3.1
213.09229	3.4
219.10294	26.2
226.95816	1.9
241.14359	2.0
249.11372	5.1
267.12341	38.4
291.56506	1.8
298.04761	1.9
304.34122	1.6
327.04959	3.6
334.87390	1.6
347.18256	2.1
390.34222	1.7
411.16479	22.0
412.16605	2.5
429.17581	76.7
430.17871	6.4
468.51730	2.1
489.09976	3.0
489.16605	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	489.14
Annotation	Dolastatin E
Peak:m/z	Relative Intensity
51.01292	0.5
51.75778	0.5
57.03441	0.5
59.01374	4.1
71.01388	7.7
73.02944	1.0
85.02957	1.5
89.02457	1.9
91.05529	2.1
93.03453	13.7
94.03810	0.7
98.19853	1.1
101.02447	1.9
110.54002	0.5
113.02419	1.5
115.00391	1.4
117.03484	0.6
119.05030	77.4
120.05373	2.3
131.05032	1.5
132.05823	3.2
133.06584	1.3
135.04500	0.6
145.06580	2.7
147.04591	1.0
161.04619	1.4
163.04012	42.8
164.04393	1.7
177.05563	12.4
191.05626	0.8
210.06841	18.1
211.07635	96.3
212.07970	5.1
237.09215	5.5
238.09834	0.7
239.10785	20.2
240.11023	0.8
253.08714	0.9
283.09741	7.2
373.12927	3.9
411.16623	1.1
429.17603	3.6
489.14017	100.0
490.14233	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	489.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52216	1.5
55.01885	4.6
57.03442	2.2
59.01383	57.8
60.99315	14.4
61.98826	2.4
71.01385	13.9
71.54736	2.8
73.02944	3.6
83.01374	3.5
83.05022	3.1
85.02951	16.2
88.98812	100.0
89.02459	6.4
96.96049	2.2
97.06617	1.6
99.00914	2.6
99.56103	1.7
100.95824	1.5
101.02454	9.9
105.89790	1.6
111.00916	2.0
113.02458	5.9
121.02986	4.2
125.02502	2.3
125.94535	1.4
129.01947	3.1
131.03506	3.8
135.04457	2.0
137.02499	1.5
145.02991	1.7
149.04614	2.1
161.02423	2.0
161.04767	1.5
165.09167	2.1
167.03540	2.2
174.03224	6.0
191.05624	5.2
206.02238	1.9
209.04358	1.5
215.07249	1.8
255.03000	6.9
283.13434	5.0
284.03403	9.1
285.04077	3.1
299.26138	1.9
309.11426	1.9
311.09399	1.7
327.12357	13.8
345.30017	3.7
429.24792	1.8
489.10352	6.4
489.18314	2.6
489.26917	5.7
489.34378	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
57.03448	10.4
59.01381	14.5
60.05936	0.7
61.98827	2.5
62.08123	0.6
67.60576	0.6
69.58701	1.1
69.59113	3.6
71.01386	5.8
71.85426	0.8
72.99297	2.5
83.01402	4.9
83.26840	0.7
84.02173	3.0
85.02955	100.0
86.03280	1.2
87.00889	1.6
89.02415	1.0
91.01900	1.8
96.96015	0.8
100.78332	0.6
101.02440	2.0
102.04957	1.0
108.02175	2.4
111.00898	10.8
119.05081	1.2
121.02976	1.0
123.04532	6.5
124.01673	1.1
125.02493	1.1
129.01947	20.0
129.37534	0.7
131.05006	0.9
134.03732	1.3
147.03004	7.3
147.04523	12.4
150.63719	0.7
152.01125	1.8
161.06105	1.2
163.04056	2.0
167.03503	14.5
173.00906	6.0
175.04082	0.8
179.03564	1.0
191.01988	5.1
191.03523	1.5
192.04341	1.1
193.04997	1.2
207.06633	0.8
208.42886	0.7
215.07018	1.6
233.04541	5.1
235.06136	7.8
255.03000	2.2
256.03619	0.8
263.05743	1.4
263.82809	0.7
275.05920	0.9
277.07132	4.1
284.03156	5.0
285.04175	1.1
291.71820	0.8
297.06335	1.2
315.15570	0.8
321.06113	1.6
327.22079	0.8
328.45715	0.7
339.07224	3.2
341.05176	1.1
353.08841	2.0
385.05673	3.0
429.20905	0.9
459.51395	0.8
489.10446	5.2
489.26712	2.3
490.10440	1.2
505.09863	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	489.1036
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
52.04380	0.2
59.01378	10.1
63.02374	0.3
65.00313	0.5
70.37769	0.8
73.02966	0.3
83.01383	0.5
85.02952	1.4
87.00880	0.4
89.02455	0.6
93.03445	0.5
101.02454	0.6
107.01378	1.5
109.02950	0.4
111.00917	0.3
119.01505	0.2
120.02143	0.2
121.02939	0.4
126.47363	0.2
126.80106	0.2
129.01909	0.5
132.02142	1.2
134.03703	0.3
135.00879	1.1
135.75543	0.3
137.09731	0.2
139.91574	0.2
143.05054	0.4
151.00377	1.9
153.01949	0.2
159.04468	0.6
162.99165	0.2
163.00348	1.1
164.01112	0.6
165.01978	0.3
167.03418	0.2
167.04932	0.3
171.04498	0.4
177.01816	0.3
183.04533	0.6
185.02417	0.5
185.06056	0.6
187.03967	1.2
190.99924	0.3
195.04440	0.3
197.06178	0.2
199.03979	0.7
200.04845	0.4
211.03984	2.3
212.04546	0.3
213.01834	0.2
213.05579	0.7
215.03450	0.3
225.14842	0.3
227.03476	25.9
228.03842	1.4
229.05028	3.5
230.05264	0.2
239.03461	1.1
240.04266	0.3
241.04971	0.8
243.02933	0.2
255.02968	58.3
256.03470	5.3
257.04489	2.9
267.02893	0.4
283.02444	0.7
284.03238	100.0
285.03946	30.6
286.04413	1.4
327.05063	0.7
369.19199	0.8
387.20197	0.5
429.08118	0.3
429.21231	0.6
436.23346	0.2
447.09186	2.2
448.09335	0.3
471.16122	0.2
489.10342	56.7
490.10754	5.2
490.21790	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
57.03448	15.5
59.01380	15.4
68.99775	0.7
69.28355	2.5
69.28793	2.7
70.88914	0.6
71.01381	4.3
72.99307	1.7
73.02937	4.2
83.01388	4.6
84.02161	1.5
85.02951	100.0
86.03310	1.4
87.00877	1.5
89.02438	0.9
89.03926	0.6
97.01630	0.6
99.00914	0.7
99.46859	0.5
101.02445	3.3
111.00880	16.5
113.02492	0.8
117.03439	1.1
121.02961	32.6
122.03300	0.8
123.04525	1.3
129.01944	45.7
130.02261	1.0
131.05060	0.7
133.06612	2.3
134.03749	13.9
135.04482	2.0
137.02490	0.7
143.03503	0.7
147.02992	7.8
149.06097	2.6
159.04501	0.7
160.01682	4.8
161.04575	1.1
161.06088	2.0
167.03450	1.9
173.00896	15.2
175.03998	8.1
177.01884	1.2
178.02669	1.7
189.05563	3.5
191.02003	2.7
193.05052	12.9
194.05472	0.6
197.11798	0.9
215.80222	0.6
218.05920	0.7
221.06653	3.3
251.05565	5.9
255.02957	0.7
261.07764	2.9
295.04559	4.9
313.05618	1.9
323.07663	4.2
367.06705	1.6
391.49991	0.6
399.07162	0.6
426.50775	0.7
489.10684	1.3
489.19333	1.0
507.70572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1039
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
56.05336	0.2
57.03441	0.2
59.01107	0.3
59.01382	3.3
63.02392	0.4
64.23646	0.2
65.00331	0.4
69.50385	0.8
69.50792	0.4
72.99310	0.2
73.02972	0.2
83.01357	0.3
85.02951	1.4
89.02478	0.3
91.01914	0.2
93.03474	0.4
96.96023	0.2
101.02453	0.2
106.98119	0.2
107.01363	1.3
129.01930	0.4
132.02173	1.0
135.00867	1.5
143.05038	0.3
145.02982	0.2
151.00380	2.1
153.01918	0.3
159.04523	0.5
163.00369	1.6
164.01146	0.5
167.03575	0.2
167.05028	0.3
171.04523	0.3
178.99892	0.2
183.04456	0.7
185.06073	0.8
187.03928	0.8
189.05603	0.3
190.99898	0.3
191.01993	0.2
195.04402	0.2
197.06111	0.4
199.04008	0.5
200.04730	0.2
200.96602	0.2
210.03331	0.2
211.03958	1.8
212.04669	0.4
212.67613	0.2
213.01854	0.2
213.05603	0.7
227.03497	26.6
228.03911	1.4
229.05080	4.3
239.03410	1.0
240.04300	0.3
241.05083	0.5
251.05524	0.2
255.02985	60.3
256.03534	4.8
257.04544	2.6
267.02829	0.3
269.24060	0.2
283.02499	1.6
284.03256	100.0
285.03970	33.4
286.04453	1.5
327.05063	0.3
429.08023	1.2
447.09296	3.9
448.09250	0.3
489.10364	49.8
490.10629	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	489.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
57.03448	14.9
59.01379	20.1
59.56201	0.5
64.02126	0.5
64.28809	0.6
67.01855	0.6
69.46333	3.6
71.01379	5.1
72.99311	2.2
73.02941	1.8
80.53328	0.6
83.01387	3.8
84.02165	2.0
85.02948	100.0
86.03275	1.6
87.00878	1.9
89.02460	0.8
93.03468	0.7
101.02444	2.0
111.00881	11.8
117.03459	1.9
121.02955	24.2
122.03268	0.7
123.04498	0.6
125.02435	0.6
128.86916	0.6
129.01938	36.6
131.05037	0.9
133.06599	3.3
134.03743	15.4
135.04503	1.8
137.02434	0.6
145.01497	0.8
147.02992	6.0
149.06091	1.8
159.04521	0.9
160.01657	2.5
161.04724	0.7
161.06079	2.0
173.00887	11.2
175.03973	4.6
178.02722	1.2
189.05563	5.6
191.01932	3.0
193.05051	15.1
227.03513	1.1
251.05603	6.0
255.03026	1.6
261.07547	2.8
284.03308	2.0
285.03970	0.6
295.04468	2.7
313.05594	1.6
323.07709	2.7
353.10138	0.9
367.06793	1.0
489.10092	2.8
489.23477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34350	1.0
54.54065	0.9
55.83241	0.9
56.74025	1.0
57.41360	1.0
59.01377	42.6
60.01679	1.0
61.98831	2.2
69.64156	4.1
69.64581	2.2
71.01382	1.9
73.02923	2.4
76.12280	1.1
78.95894	1.7
98.20627	2.1
101.02431	1.6
113.02431	2.5
116.05009	1.3
130.02983	9.5
131.03734	2.5
132.04552	100.0
133.04854	3.2
149.04477	1.1
171.59114	1.0
173.04807	55.6
174.05124	1.7
429.61270	1.0
456.11090	1.7
488.24069	1.3
489.26816	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42695	5.2
59.01407	6.0
61.98834	12.7
71.53441	9.2
94.36749	5.2
106.03226	4.6
109.25357	4.5
114.05627	6.5
139.78445	4.9
151.00322	5.4
156.10312	36.7
166.47043	4.7
193.05084	9.2
199.03914	5.3
214.06285	9.0
229.08687	57.0
240.97661	5.1
244.11055	20.9
255.10098	9.2
265.46088	4.9
269.11871	7.7
270.12543	7.9
285.14948	20.1
319.76178	5.1
322.03549	5.0
370.16501	7.2
385.18945	11.1
400.21280	100.0
428.03595	13.3
488.26593	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05869	0.1
59.01379	0.8
59.65637	0.2
61.69934	0.2
61.98831	100.0
63.86013	0.2
65.16469	0.1
66.02410	0.2
70.32886	0.1
70.73121	0.3
70.73466	0.3
71.01398	0.4
76.21952	0.2
78.95928	0.2
85.02959	0.5
107.02615	0.1
113.02444	0.3
191.05623	0.2
480.47409	0.2
487.32983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3054
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
59.01363	1.2
70.65168	0.7
70.65479	1.4
71.01374	1.2
72.64826	0.6
74.16745	0.7
85.02932	1.0
96.93386	0.7
116.07198	0.7
135.04514	1.7
175.60339	0.7
181.08662	1.2
200.32878	0.6
293.33093	0.7
388.61948	0.7
451.32507	1.9
487.12369	1.8
487.30530	100.0
488.24774	1.2
488.30920	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	487.3427
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
58.78558	0.3
59.01384	0.4
61.98819	0.6
66.27316	0.3
67.26090	0.3
68.74913	0.3
69.88461	0.8
69.88852	1.1
70.08786	0.3
92.40303	0.4
96.35780	0.3
119.78661	0.4
129.76424	0.3
263.20129	0.4
345.50940	0.4
365.30627	0.4
487.34256	100.0
488.34592	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	488.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02374	0.2
57.86875	0.2
59.01382	4.8
61.98829	100.0
69.68787	0.4
69.69205	0.8
71.01400	0.4
83.84805	0.2
85.02940	0.4
101.02412	0.3
126.91224	0.2
191.05605	0.4
224.13670	0.2
235.47618	0.2
402.73907	0.2
437.73367	0.2
488.20413	0.3
488.28351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55179	0.8
61.98820	3.1
69.29144	1.8
69.29539	6.5
72.99315	1.4
75.00871	100.0
77.03595	1.0
87.72959	0.8
98.20595	1.6
121.26770	0.9
122.03741	1.0
134.03719	2.9
135.04501	3.1
136.01663	2.5
137.02435	3.3
148.59489	1.0
151.04028	3.4
153.12193	0.8
162.03238	1.0
163.04016	4.7
177.01799	0.9
177.05469	1.7
177.12759	1.1
178.02724	0.9
179.03477	2.1
198.61156	1.0
215.35896	1.0
222.27249	0.8
265.20181	1.0
295.35657	0.9
342.11057	6.4
345.13956	0.9
355.15475	3.7
400.89093	0.8
411.18112	14.1
467.26956	0.9
487.34219	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	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66961	0.3
59.01379	100.0
60.01723	0.9
61.21869	0.3
61.98829	4.9
69.03450	0.5
69.70862	0.4
71.01388	5.0
71.55125	0.5
72.99303	0.4
73.02945	2.8
75.00879	0.6
83.01410	1.0
83.05032	0.5
85.02950	2.5
87.00903	1.1
89.02453	2.9
91.00663	0.4
93.03481	0.7
96.96015	2.0
99.00900	0.6
99.04581	0.5
101.02441	4.4
103.04029	1.1
109.02950	0.4
110.03236	0.4
113.02459	1.6
119.03547	1.1
119.05016	5.5
125.02467	1.6
128.03548	0.8
135.04536	0.5
151.00394	1.1
161.04601	1.5
163.06221	1.1
165.09283	0.6
173.04553	0.9
179.03616	0.4
179.05620	0.4
191.05630	2.0
191.07225	0.3
205.12370	1.1
209.11887	0.7
221.06723	0.9
223.13445	1.1
283.20944	0.4
285.04025	1.2
286.04184	1.8
287.05234	1.7
289.06824	0.4
296.35443	0.5
307.10538	1.3
313.03714	0.4
367.17786	1.0
378.95715	0.4
385.18759	1.3
427.19702	0.8
449.09946	3.4
487.18417	0.9
487.30780	1.9
488.28885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25923	0.3
50.73391	0.3
59.01369	1.5
60.45843	0.3
61.98837	0.9
67.87019	0.3
69.85691	0.5
69.86091	0.9
71.01381	3.6
72.99309	0.9
80.26157	0.3
85.02946	0.7
87.00854	0.3
89.02444	1.0
92.35747	0.4
93.03467	1.1
101.02457	0.9
102.88923	0.3
113.02451	0.8
115.00372	7.1
117.03436	0.5
119.05025	100.0
120.03813	0.3
120.05366	2.7
121.02947	0.7
125.46032	0.3
128.03494	0.4
133.01431	17.6
134.03683	0.8
135.04498	0.3
149.06049	0.4
163.04002	64.4
164.04338	1.9
178.02737	0.5
191.05623	3.3
191.07173	0.5
193.05067	1.3
218.88150	0.4
235.06131	0.5
265.06989	0.4
272.08780	0.4
277.17899	0.6
416.75925	0.4
478.35477	0.4
487.14548	28.5
488.14999	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	487.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.5
58.00568	1.4
59.01380	33.7
61.98825	7.4
69.62574	7.5
70.99610	2.7
71.01380	23.5
72.97533	5.9
73.02940	1.8
83.01392	2.4
85.02946	6.1
87.00877	2.5
88.98727	1.4
89.02441	23.3
93.03448	2.9
95.01382	1.8
101.02445	12.0
108.02183	2.5
111.00882	3.7
111.15923	1.4
113.02448	12.2
114.05604	1.6
119.03513	8.9
119.05025	100.0
120.05343	3.0
121.02978	2.2
123.04536	2.1
124.01679	2.2
125.02395	2.1
128.73798	1.5
134.03722	19.8
137.02425	2.3
143.03500	3.3
145.02995	3.8
146.03685	2.0
148.01649	5.7
148.05319	5.5
149.06079	9.0
153.05582	2.7
159.04463	2.6
161.02490	1.6
161.04584	3.8
161.06068	2.7
162.03230	4.8
163.04010	83.9
163.07677	5.8
164.04446	2.5
165.01907	1.5
165.05577	1.6
167.03436	3.2
173.04485	1.5
174.03201	2.5
175.03998	5.7
176.04793	3.8
177.05579	8.6
178.02713	5.4
179.05618	6.4
187.04013	3.4
188.04794	6.6
189.05544	6.1
190.02711	6.3
190.06346	2.3
191.05589	9.6
191.07166	3.6
192.05920	3.2
193.05042	24.9
200.04788	4.1
201.05556	3.3
202.06454	3.7
202.09991	1.5
203.03500	2.8
203.07146	9.5
204.04138	3.2
205.05029	15.2
207.06512	2.8
212.04744	1.6
215.07172	1.7
217.08690	2.3
218.05850	12.2
221.08287	2.4
227.07167	2.0
230.05881	7.8
232.03702	5.5
233.04454	3.4
233.08212	8.5
235.06079	6.0
245.08174	15.0
247.06084	18.7
248.06946	2.1
249.07553	1.7
251.07436	3.2
259.05936	2.1
263.09253	10.0
265.07062	6.7
277.07138	23.1
278.07584	1.8
289.07159	3.0
307.08218	84.9
308.08536	5.7
318.90985	1.5
323.09692	2.2
345.38474	1.4
355.10251	1.8
425.14728	3.1
427.12463	2.7
469.07886	2.2
469.13754	2.7
487.14529	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	486.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47451	0.4
51.55842	0.4
52.26456	0.4
70.40311	1.5
88.04042	53.9
120.17504	0.4
143.13000	0.5
144.44090	0.4
147.08173	1.9
149.09740	1.2
157.82378	0.5
161.09706	0.9
163.11316	2.8
187.11259	2.2
188.86992	0.4
203.11046	0.5
279.13748	1.1
280.14691	1.4
307.16925	0.6
309.22238	2.7
321.18829	0.5
337.21719	100.0
338.22104	6.9
382.27258	0.7
486.26834	17.1
487.27271	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.6
68.77464	0.7
68.89930	0.7
69.48736	5.3
71.01382	14.8
72.52668	0.6
72.99303	3.7
85.02976	1.2
87.00833	1.1
89.02451	3.2
97.17944	0.7
101.02448	3.2
109.02962	0.7
114.97659	0.7
115.00373	40.8
119.05021	9.6
127.05156	1.3
128.03537	2.2
133.01428	100.0
134.01820	1.1
134.03680	1.0
135.04591	1.1
144.86906	0.9
145.01419	5.4
145.06154	12.4
146.04610	3.3
149.04564	2.5
163.04021	6.7
171.78137	0.8
173.04605	1.0
178.02679	0.8
179.03508	0.8
180.25323	0.8
191.05629	15.2
193.05023	2.9
197.21489	0.7
252.75307	0.7
288.60086	0.6
341.11096	1.0
353.08688	2.7
385.03482	0.7
487.14731	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	487.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.5
61.98817	1.7
71.01381	1.4
71.54282	0.6
82.43760	0.3
83.01388	0.7
85.02940	1.5
85.15317	0.3
87.00867	0.4
89.02442	1.0
93.03439	0.8
96.96030	0.8
96.96900	0.4
97.02899	0.4
101.02442	1.2
109.02979	0.4
113.02460	0.9
119.05025	6.1
121.02946	1.0
123.04488	0.4
133.02939	1.2
134.03738	39.1
135.04115	1.2
137.02429	6.7
139.03993	1.6
148.05232	0.8
149.02483	0.6
149.04672	0.7
149.06075	13.9
150.03185	0.6
161.04640	0.5
163.04012	4.5
163.07674	0.9
165.00188	0.6
166.00934	1.1
166.77834	0.4
173.04529	1.0
175.03983	0.4
178.02701	29.6
179.03078	1.0
181.03227	0.9
188.04787	0.6
191.05605	3.7
193.05045	100.0
194.05383	3.6
207.01083	0.5
214.05441	0.4
221.08244	0.9
225.02194	0.4
235.05957	0.7
247.06250	0.6
265.10806	0.7
303.07117	0.7
307.08426	0.7
325.09198	0.4
355.10312	12.2
356.10764	0.9
398.48959	0.4
427.12314	3.5
487.08630	0.6
487.14471	8.9
487.24573	0.4
488.14749	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17571	0.3
53.35299	0.4
57.16282	0.3
59.01376	4.6
61.98829	100.0
67.93846	0.3
69.31883	3.4
71.01374	0.5
72.46644	0.3
74.02481	0.4
85.02940	0.5
89.02489	0.5
93.03442	0.4
94.03803	0.3
113.02435	0.4
114.41646	0.3
116.92860	0.8
123.04510	0.6
123.08123	0.3
126.91296	0.4
128.03534	0.5
135.04492	0.4
143.04639	0.7
149.04576	0.8
150.64481	0.4
173.04555	0.6
191.05595	0.7
205.12390	0.6
206.12724	1.2
249.11488	0.5
272.08582	0.5
300.73340	0.3
486.18439	9.6
486.25394	0.5
487.18924	0.7
513.41833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98831	25.4
68.51157	1.8
71.01378	14.4
73.02948	10.8
74.75837	1.8
83.01385	2.6
85.02953	7.0
87.00830	2.2
89.02433	8.3
91.02450	1.9
93.03453	8.7
97.20902	2.0
101.02438	11.0
113.02446	7.0
119.03477	2.2
121.02944	8.6
135.04523	2.7
140.70387	1.8
149.04475	3.0
161.04568	3.5
173.04532	7.8
178.02525	2.8
179.03606	1.9
191.05559	5.3
201.11209	2.8
209.11794	8.0
225.05539	2.5
229.46109	2.0
267.13852	2.4
300.02823	2.8
327.05008	4.2
332.41034	1.8
342.44473	2.3
352.07971	6.2
388.05472	1.8
401.08737	5.7
447.09280	6.4
485.11865	3.3
485.18015	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	486.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20503	0.4
58.02964	0.6
59.01386	2.7
61.98831	2.1
68.99809	3.0
71.01377	3.0
72.04533	1.6
73.02940	2.4
75.00883	0.5
85.02941	3.3
89.02454	0.8
93.03460	0.9
98.06123	1.4
99.00873	0.7
101.02441	1.1
108.33015	0.4
109.02956	0.7
111.00942	0.5
120.04551	4.0
121.02939	0.6
124.07699	0.5
127.00366	1.8
130.05110	0.7
134.03732	2.4
135.04175	0.6
139.04022	0.6
146.08180	0.6
153.07129	0.7
153.68416	0.4
155.08595	0.5
157.06587	0.7
159.04463	0.9
161.02444	0.6
161.06084	0.5
167.04910	0.5
167.08632	0.9
171.04536	0.5
172.05316	2.2
172.09761	1.3
173.04585	0.9
173.06052	1.5
174.03160	1.9
181.06607	0.7
181.10266	1.1
183.04541	1.5
183.08246	0.5
183.11790	1.2
183.96951	0.5
185.06111	1.3
186.03177	0.9
187.03951	1.0
191.05591	2.7
193.05019	2.3
194.05499	0.6
195.08150	0.7
196.05237	0.9
197.06071	3.7
198.06854	2.1
199.04027	2.1
199.07623	1.0
200.04791	1.0
201.05562	0.9
202.02725	5.8
204.04251	1.2
204.18042	0.4
207.79918	0.6
209.06091	2.1
210.06825	0.8
211.04004	5.6
211.07599	1.3
213.05530	1.1
214.02768	1.0
215.03477	0.6
221.09724	1.9
223.03966	0.6
223.11238	2.0
225.05569	8.6
226.06349	3.4
227.07169	2.6
227.10771	1.4
229.05103	0.8
231.03093	0.6
231.08191	2.5
237.05536	0.9
239.03461	1.9
239.07217	0.7
239.10767	1.1
240.10284	8.0
241.05029	1.3
242.05876	0.9
243.06683	0.6
245.04491	0.6
246.05362	0.5
249.09203	5.1
251.06953	0.7
251.10811	1.3
253.05075	2.6
254.05867	2.6
255.06534	1.0
265.08661	0.7
267.10333	1.6
274.04736	2.4
277.08716	1.9
284.12790	0.6
295.09601	0.5
299.05371	0.5
313.07516	0.6
341.10092	0.8
353.10110	1.2
354.16998	1.8
358.16626	1.7
370.16565	1.6
380.14963	0.6
382.16586	1.1
398.11292	0.8
398.16071	10.5
399.16400	1.1
408.14325	0.5
426.15576	18.3
427.16028	1.8
454.14954	1.7
458.18265	2.3
486.17685	100.0
487.18002	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	485.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42036	1.8
53.40478	1.8
54.72088	1.9
55.06028	1.9
57.03446	7.4
59.01378	30.0
61.98798	3.1
67.01892	3.6
69.46443	9.7
69.46857	4.6
71.01371	8.5
73.02934	2.6
74.02469	7.1
74.68717	1.7
81.03460	2.3
85.02943	25.0
87.00877	4.6
89.02457	3.9
93.03463	22.3
96.96014	2.0
97.02942	3.0
101.02470	4.3
104.03571	2.6
104.70742	1.9
107.05019	2.9
108.02187	2.1
108.05757	3.1
109.02977	11.7
111.04516	11.2
113.02441	6.1
113.06089	4.6
116.03540	3.7
125.02410	2.5
125.06051	10.5
134.03751	3.0
135.04576	3.2
136.01604	7.1
136.05316	4.0
137.02429	7.4
137.06061	6.2
138.06865	4.4
139.07632	15.9
139.40097	1.7
139.84988	2.1
144.83153	2.1
147.02922	2.5
149.06134	3.0
151.00374	2.8
151.03973	3.2
151.07645	26.9
152.04776	3.6
152.08418	8.3
153.09247	3.9
155.15250	1.9
161.09738	3.0
163.07616	4.3
165.09035	2.2
173.04579	21.3
184.73227	2.1
187.07607	2.0
191.01964	6.0
191.05598	35.0
201.12839	15.1
203.10847	4.9
204.11507	15.9
219.13881	27.7
227.03395	4.1
228.11511	2.2
233.06628	2.2
243.13828	5.4
245.11859	11.7
255.03017	3.9
263.12857	100.0
264.13232	6.9
284.03247	6.9
285.03946	9.7
287.12906	8.8
293.09967	2.6
297.02011	2.5
305.13898	10.9
311.11276	3.9
327.05154	4.6
354.15558	5.9
357.05930	3.0
401.31439	2.3
447.09143	17.9
448.09750	2.1
449.15213	2.3
467.15643	36.9
468.15762	4.0
474.02484	2.4
485.16769	11.8
486.19193	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	485.1816
Annotation	Astellolide B
Peak:m/z	Relative Intensity
57.03431	1.0
59.01369	2.0
61.98820	1.5
69.03454	0.8
69.43658	0.9
69.44066	3.0
71.01369	1.7
79.05534	0.6
81.03464	1.1
84.02177	0.6
85.02957	2.7
93.03452	1.0
95.01407	2.5
96.75655	0.5
97.06583	2.1
107.05030	3.1
108.02166	1.2
109.02931	1.4
109.06583	1.0
111.00883	1.6
115.29422	0.5
117.03463	0.5
121.02956	2.0
121.06584	0.9
121.91902	0.4
123.00848	2.7
123.04503	4.2
123.08166	1.0
124.05235	0.6
125.02449	1.2
133.06599	0.8
134.03711	0.5
135.04489	1.2
136.01648	1.8
137.02434	0.6
137.06042	0.5
139.00363	2.0
140.09779	0.5
142.59068	0.5
145.03003	0.5
147.04547	0.6
149.02452	0.9
149.06065	2.3
151.03979	3.6
151.07652	2.2
152.01141	1.0
153.01907	2.2
159.04454	0.8
161.02382	1.2
161.06107	0.9
162.03252	0.5
165.05684	0.6
171.04573	0.5
173.06070	1.1
175.03954	1.6
175.07582	0.9
176.04715	0.9
177.01891	1.7
177.05479	1.1
178.73410	0.5
187.03996	0.8
189.05548	1.8
190.06375	0.9
191.01877	0.8
191.05557	0.6
199.07640	0.5
201.05460	1.0
201.09195	0.6
203.03468	0.6
203.07141	1.0
213.09059	0.6
215.07097	0.6
227.07086	0.6
229.76500	0.5
239.06889	0.5
253.08673	0.8
255.10275	0.6
257.11948	0.6
343.11838	0.9
359.11432	0.7
361.12817	2.3
387.10837	1.6
388.11649	3.3
419.15311	0.6
441.15045	3.5
455.13425	0.7
467.17233	1.7
469.14594	0.9
485.18140	100.0
486.18442	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	485.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86557	0.6
58.00583	1.0
59.01381	28.1
59.93561	0.6
61.98827	1.5
69.46204	1.3
69.46614	3.5
71.01385	15.8
72.99292	1.2
73.02975	1.3
82.27818	0.7
83.01399	1.5
85.02951	3.9
86.61893	0.7
87.00881	1.5
88.06130	0.8
88.98792	1.1
89.02451	14.8
93.03455	1.0
95.01399	1.8
96.96011	4.4
101.02443	10.0
109.02936	2.0
113.02451	6.3
114.05616	0.9
119.03510	7.7
121.02987	0.9
121.95111	0.7
123.04526	2.1
125.02470	1.3
133.02954	11.0
134.03749	2.9
135.04533	53.6
136.04869	1.6
137.02423	3.6
139.04030	1.3
148.05321	1.6
149.02444	0.9
149.06100	9.3
150.03172	1.2
151.03970	0.9
161.02449	45.1
161.04578	1.5
162.02831	1.7
165.05560	0.9
167.03514	0.8
172.31293	0.8
175.04070	2.4
177.05566	21.1
178.02626	1.2
179.03510	51.4
180.03815	2.0
189.05516	0.9
191.05611	1.2
203.03543	0.9
205.04991	0.9
221.04558	23.3
251.05583	10.6
281.06665	18.3
282.06900	1.4
297.57535	0.9
300.02652	0.7
301.36142	0.8
309.11765	0.8
323.13461	56.8
324.13879	3.0
341.08728	6.8
354.76706	0.7
372.93292	0.7
395.13959	0.7
485.16711	100.0
486.17044	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	485.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94463	0.9
54.65532	1.0
55.01846	3.7
57.03434	1.9
58.00580	1.1
59.01381	46.4
61.98823	1.2
65.24416	0.9
68.22308	1.0
69.71320	1.0
71.01022	1.3
71.01385	21.0
71.54578	1.7
71.76613	0.9
72.99280	2.0
73.02953	4.8
82.95377	1.2
83.01386	7.2
85.02947	7.0
87.00858	2.8
89.01961	1.1
89.02451	18.0
93.03457	1.8
95.01351	1.6
96.96016	9.4
96.96922	1.7
101.02444	24.0
111.00860	2.1
113.02457	7.3
114.29694	0.9
119.03511	8.5
123.04477	1.1
133.13802	0.9
135.04543	1.2
137.02394	3.2
143.03407	1.0
145.07651	3.7
146.04794	1.0
149.04449	1.1
158.70683	1.0
160.06413	9.4
161.07205	54.7
162.07492	3.2
167.03439	2.8
175.07425	1.4
175.08775	20.6
179.05524	2.5
187.08728	4.7
187.57521	1.1
189.06708	76.2
190.06998	2.0
191.05591	1.9
201.10271	4.2
203.08266	23.1
203.11925	6.1
218.38562	1.0
229.09840	9.8
231.07785	1.1
239.04222	1.1
241.09842	1.6
263.05490	1.4
289.33139	1.0
305.11444	26.9
306.11563	1.1
323.12277	3.8
387.16537	1.9
443.18655	1.1
467.16827	1.2
485.17722	100.0
486.18018	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	485.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
59.01381	62.6
61.46647	0.6
61.98820	3.0
67.01918	0.6
69.03458	0.9
69.56096	4.6
71.01370	3.0
73.02944	4.9
81.03432	1.7
83.01382	1.1
85.02939	5.1
87.00863	2.6
89.02445	7.0
93.03436	2.5
93.66943	0.8
95.01392	1.2
95.05007	1.5
97.06583	2.1
103.00382	11.3
107.05006	4.8
109.02930	1.8
109.06564	2.2
111.00877	3.8
119.05022	0.8
121.02933	1.9
121.06603	1.4
123.00864	2.3
123.04516	4.1
123.08102	1.0
125.02432	2.0
131.03516	8.0
135.04527	1.3
136.01645	1.8
137.02452	1.6
137.06064	1.1
138.83667	0.7
139.00352	2.2
147.04434	1.0
149.04556	39.5
149.05899	2.1
150.04910	0.7
151.00323	1.0
151.04002	4.0
151.07628	3.0
152.01111	0.8
153.01961	5.4
161.02432	2.0
161.06067	1.2
161.13367	2.6
163.07645	1.3
175.03929	1.5
177.05508	1.4
187.03958	0.8
189.05537	1.1
189.09193	1.0
191.01897	1.4
191.05606	16.8
191.07080	0.7
194.02094	0.9
201.05452	0.8
203.03500	0.8
205.12340	6.7
206.12636	0.8
223.13373	15.7
249.11232	1.7
265.14389	1.2
267.12378	4.2
283.06134	1.0
283.09454	1.2
287.17963	0.9
300.02985	0.9
304.26770	0.8
309.13541	0.8
343.11725	1.0
359.11359	1.0
361.12738	3.7
387.10794	3.7
388.11588	6.1
397.16602	1.4
399.16617	6.8
400.16855	0.8
441.15826	2.8
447.09235	1.5
455.13797	1.0
467.17178	1.5
469.15158	1.5
485.18158	100.0
486.18561	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	484.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.4
57.03446	3.2
58.00591	2.3
59.01378	100.0
59.59309	1.1
61.98822	2.7
69.38334	9.3
71.01380	69.0
72.99298	4.5
73.02943	16.4
82.79559	1.2
83.01373	8.7
85.02952	27.3
87.00879	3.2
88.35358	1.4
89.02443	36.9
95.01398	3.9
96.08268	1.5
97.02942	1.6
99.00871	4.7
101.02438	57.3
113.02448	33.2
114.05598	4.9
119.03490	17.9
125.02444	1.6
125.54271	1.3
129.01962	1.4
130.08749	1.4
130.79929	1.1
131.03571	2.0
134.44255	1.3
143.03429	5.7
147.11798	52.9
148.12097	1.9
149.04533	1.8
156.10292	4.5
159.02963	5.2
161.04553	31.6
179.05583	4.3
183.15031	1.3
209.11908	1.1
212.27679	1.0
244.16998	6.3
262.18121	34.6
263.18350	1.4
276.10852	5.5
424.23370	99.1
425.23563	7.2
484.19843	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	485.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28072	0.3
59.01385	1.7
61.98832	0.8
63.49599	0.3
69.42955	2.6
71.01392	1.0
73.02940	0.8
75.79180	0.4
80.02684	0.4
81.03465	0.6
83.01378	0.5
85.02976	0.6
87.00886	1.8
89.02451	0.4
93.03465	1.3
96.95996	2.1
99.91657	0.3
100.65200	0.3
101.02449	0.7
108.02174	21.6
109.03028	0.6
111.00890	0.6
111.04523	1.8
116.92893	0.4
121.81400	0.4
123.04530	12.3
123.05394	0.7
135.90694	0.4
137.02437	0.8
139.04039	0.8
149.02475	2.3
152.01155	47.8
153.01497	0.9
155.03543	1.0
167.03497	100.0
168.03842	3.3
173.04539	0.6
176.01151	0.6
177.01915	1.3
191.05608	1.1
209.04504	0.7
215.15965	0.4
329.08820	2.3
366.54752	0.3
467.12241	0.4
485.12827	9.7
485.19849	0.7
486.13239	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1304
Annotation	Hymexelsin
Peak:m/z	Relative Intensity
52.12655	0.9
59.01377	4.9
61.98818	2.5
65.03967	0.7
71.01382	6.5
71.54659	0.8
72.99287	0.6
73.02948	2.6
79.05538	5.3
81.03455	5.8
83.01394	3.9
83.05025	3.9
85.02956	3.7
87.00853	0.7
93.03456	12.4
95.01375	1.1
96.96024	7.9
99.00891	1.3
101.02426	3.1
105.03456	13.0
108.02168	1.4
109.02951	4.9
111.00863	3.7
111.04515	10.7
113.02454	2.4
116.92864	1.1
121.02964	1.0
122.03658	0.7
123.04532	80.9
123.19645	0.7
124.04846	2.0
125.02416	1.5
127.04045	0.7
133.02954	2.1
135.04500	1.8
137.02451	7.7
137.06056	1.1
139.04002	3.1
144.79462	0.7
147.04471	0.8
149.02446	64.4
150.02766	1.8
152.01140	0.9
155.03485	2.1
161.02446	0.7
161.04500	0.8
163.03944	0.8
165.05513	1.5
166.02702	0.7
167.03502	31.3
170.54321	0.6
173.04543	2.0
173.97153	0.6
176.01157	1.2
177.01929	19.1
178.02261	1.0
179.03482	1.2
179.07077	0.7
191.03462	1.1
191.05553	2.0
209.04517	2.3
246.72517	0.7
279.14453	1.4
311.07748	1.0
329.04880	0.9
329.08798	14.2
343.09930	0.9
396.80344	0.7
425.20593	3.1
441.10187	0.8
467.11960	8.4
468.12302	0.8
485.12918	100.0
486.13327	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	485.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35257	1.5
54.72296	1.6
59.01380	100.0
60.01668	1.4
61.54536	1.6
61.98828	20.6
70.92258	3.3
71.01380	3.3
73.02934	3.2
84.07252	1.5
85.02918	4.8
89.02435	16.1
89.80236	1.4
93.03448	2.4
103.03944	2.0
107.04990	3.0
109.02937	1.8
119.07712	1.6
123.00896	1.6
123.04495	2.9
131.03481	5.3
139.07597	2.4
149.04550	80.5
151.03975	1.7
151.07591	3.5
153.01920	2.1
158.12386	1.9
161.13356	13.0
163.07489	1.6
182.70831	1.5
191.01840	2.3
191.05618	3.0
205.12305	52.4
206.12605	1.8
210.94221	1.6
223.13388	5.0
245.07813	1.7
249.11232	4.7
265.14493	2.6
267.12402	3.2
309.13419	8.0
388.11511	4.5
397.16605	2.6
399.16589	2.7
441.17746	10.9
447.09183	2.7
449.16031	1.7
485.18115	67.2
486.18530	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	484.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.5
55.92462	0.4
57.03449	11.9
58.00574	0.7
58.40307	0.4
59.01380	7.5
61.98832	18.3
63.70924	0.5
68.99821	0.7
71.01379	4.0
72.99297	1.0
73.86594	0.5
75.00874	1.5
83.01392	1.7
83.52205	0.3
84.02167	2.9
85.02949	100.0
86.03283	2.0
87.00871	1.2
89.02425	0.5
92.75860	0.4
96.95983	1.2
101.02442	0.9
103.00372	1.5
111.00880	1.4
125.02458	0.7
129.01941	8.0
133.10246	0.5
142.51465	0.4
147.02988	12.3
163.02481	0.6
163.51691	0.5
167.03473	1.0
173.00937	1.3
191.01971	55.3
192.02277	1.5
209.03053	1.9
262.71695	0.4
288.56021	0.4
292.15512	1.9
441.66779	0.5
466.17319	1.2
484.18356	7.2
485.17157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80041	0.6
59.01378	1.9
61.98831	9.2
67.01913	0.7
69.03445	0.8
71.01376	1.4
71.53751	0.9
73.26028	0.6
78.20824	0.6
85.02954	3.9
87.00883	3.4
93.03448	6.5
96.96011	1.3
111.04523	1.4
114.05618	1.1
116.92863	0.9
129.01959	0.7
130.70143	0.7
133.40424	0.6
135.04460	1.2
137.00659	0.9
146.02460	1.4
148.02287	0.9
150.00148	1.2
163.99400	3.4
164.01799	2.7
165.00153	6.3
165.88138	0.7
166.00598	0.7
173.04533	5.5
174.04828	0.7
176.01141	0.7
177.00143	1.0
177.99651	8.4
178.01093	0.9
179.00455	1.0
190.00978	0.7
191.00458	8.7
191.01955	1.2
191.05600	15.1
192.01247	45.1
192.05997	1.8
193.01607	1.7
204.01236	2.3
205.01981	2.2
246.86372	0.7
248.03851	100.0
249.04149	4.8
267.06973	0.8
274.01801	3.5
292.02850	35.9
293.03226	1.7
448.06949	3.4
466.08093	89.5
467.08478	7.6
484.18051	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32067	0.3
70.09012	1.4
78.95899	6.2
79.03191	0.3
83.69014	0.3
96.96959	0.6
101.17810	0.3
110.11420	0.3
111.35715	0.3
113.04360	0.3
145.75714	0.3
152.99579	13.9
153.00829	0.7
171.00636	1.2
184.02718	0.3
227.03282	2.9
237.22375	0.3
245.04326	1.2
255.23273	100.0
256.23560	5.6
375.95651	0.3
444.57782	0.3
483.27252	36.8
484.27591	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	483.2727
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
51.61037	0.4
58.18621	0.4
70.29073	1.5
78.95900	16.3
96.96943	1.5
107.01347	0.4
109.67009	0.4
117.33071	0.4
122.34026	0.4
131.09026	0.4
134.98407	0.5
150.97989	0.5
152.99583	28.5
171.00624	1.4
183.39943	0.4
227.03275	4.6
234.52914	0.4
245.04321	1.1
255.23273	100.0
256.23578	5.9
291.35510	0.4
319.04669	0.4
391.22705	1.0
433.75528	0.4
483.27255	64.6
484.27560	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3114
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
60.14382	0.7
61.98824	0.8
64.48885	0.8
66.66783	0.7
69.81846	2.6
69.82255	1.5
80.91245	0.7
84.42630	0.8
96.70835	0.8
98.20612	1.6
111.04514	6.2
119.23395	0.8
122.45462	0.8
161.09718	0.8
193.05037	1.0
205.08673	3.4
207.06616	8.9
208.07387	6.5
219.06587	3.4
221.08145	2.4
231.13812	0.9
233.08183	24.4
234.08446	0.9
247.13412	1.6
257.11966	1.2
261.11337	4.5
275.12869	51.7
276.13354	4.5
287.13010	1.9
289.14435	3.3
359.18729	1.5
371.18585	19.0
372.18948	1.6
399.21948	1.3
413.23135	1.3
414.24088	1.9
427.67853	0.9
483.31125	100.0
484.31464	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73815	1.1
55.01874	1.2
59.01379	100.0
61.98835	8.2
71.01372	3.5
71.54581	1.3
73.02966	1.4
80.85409	1.3
85.02959	3.2
89.02428	2.8
92.53259	1.1
93.03430	2.1
96.95991	4.1
101.02434	3.4
102.20775	1.1
113.02440	2.8
119.49316	1.0
134.03712	1.5
135.02956	1.6
137.02408	3.3
138.43958	1.2
151.00319	1.5
161.04523	2.2
173.04584	2.4
191.05621	3.1
192.05869	1.2
255.03003	2.4
271.02405	4.2
300.02771	7.7
301.03412	5.7
327.05093	4.0
357.05804	1.3
379.17575	4.8
397.18503	3.0
439.20087	2.3
447.09235	18.0
448.09726	2.0
483.09268	3.1
483.15991	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
61.98819	1.8
63.43000	0.4
69.26711	2.4
69.27113	0.9
71.01377	1.3
73.02934	0.7
79.01920	0.4
81.03472	1.3
85.02959	1.9
91.07503	0.4
93.03460	1.5
95.01398	1.8
101.02444	0.5
108.02172	81.1
109.02961	30.7
113.02485	0.8
113.09749	0.6
119.04987	0.4
121.02953	1.1
123.00873	1.5
123.04494	1.2
133.02908	0.4
137.02448	1.2
151.03998	0.8
152.01149	58.7
153.01953	15.2
163.03984	1.2
165.01886	0.7
165.09229	0.4
167.03519	0.5
179.03487	0.7
185.11815	10.4
207.03003	0.5
209.04659	1.0
219.97035	0.4
221.04385	0.6
297.06296	0.5
300.02600	0.7
483.18692	100.0
484.19083	8.5
490.75470	0.4
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
69.53023	1.9
78.95903	7.0
96.96998	0.6
98.20649	0.4
152.99590	13.8
166.63358	0.3
169.59219	0.3
171.00644	1.1
199.23936	0.3
204.26378	0.3
206.95677	0.4
227.03189	2.4
237.22038	0.3
245.04276	1.1
255.23286	100.0
256.23618	5.8
256.26047	0.6
483.27264	33.8
484.27469	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01322	4.1
61.98776	1.3
71.01324	1.9
73.02908	0.6
78.95912	3.7
79.95691	1.3
81.03463	2.9
83.01381	6.5
85.02905	2.3
89.02391	1.1
93.03422	1.2
95.05032	5.8
96.96020	31.6
96.96944	8.9
97.02959	2.8
99.04491	1.6
101.02389	2.3
108.02122	1.9
109.02903	1.9
113.02419	1.0
119.03480	0.6
121.02927	0.9
122.03679	1.2
123.04530	8.3
125.02458	12.2
135.04536	1.4
137.02460	3.1
137.06079	9.1
139.03967	2.7
141.05540	2.4
147.04482	0.7
149.02446	1.0
151.03937	2.3
152.01106	1.3
153.01790	1.0
155.03500	0.6
163.03947	0.6
165.05611	2.8
167.03502	29.2
177.05521	1.5
179.03497	6.1
181.05045	2.2
191.03548	1.7
191.05336	0.7
193.05077	4.9
209.04553	100.0
210.04906	3.3
221.04547	19.4
239.05602	10.4
251.05733	2.0
295.77869	0.7
311.07809	0.9
319.08261	0.9
329.04861	1.6
329.08789	32.1
330.09341	1.8
334.06308	0.8
337.47604	0.7
341.08771	14.6
342.09293	1.2
363.06741	1.0
363.10916	1.2
397.17505	2.7
420.09824	1.7
439.12976	0.8
439.18668	1.3
440.98892	0.6
483.15601	22.0
484.15955	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	483.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01656	0.4
59.01380	2.9
60.73195	0.4
61.62355	0.4
61.98816	1.5
71.01395	2.1
73.02966	0.6
77.03947	0.5
83.01382	1.3
85.02957	2.6
87.00887	0.7
89.02454	0.9
93.03471	0.8
96.95995	2.1
97.02959	0.7
101.02428	0.8
107.01426	1.1
108.02173	0.6
108.69997	0.4
109.02972	2.7
111.00879	1.4
111.04637	0.5
113.02486	0.8
116.92909	0.5
117.03494	0.7
119.05019	1.6
121.02956	2.0
123.04483	0.9
125.02452	2.6
133.02956	11.9
134.03790	0.6
135.04523	1.8
137.02444	1.0
139.03993	0.7
143.03522	0.5
145.02939	2.1
147.04515	1.5
149.02422	2.4
151.04044	1.0
161.02472	2.0
163.00349	1.6
163.04018	3.3
165.01886	1.3
167.03487	0.9
175.03946	2.9
177.01953	1.2
179.03516	0.9
187.03978	0.5
191.01978	0.6
191.03517	2.0
191.05496	0.7
193.01421	1.5
199.03975	1.1
201.01994	0.7
209.04517	0.9
211.04172	0.8
212.04868	0.6
213.05560	0.5
215.14505	0.6
225.05544	1.1
227.07193	0.7
228.15451	0.5
229.04973	0.6
240.04254	0.7
241.05072	0.8
253.05054	1.1
255.03000	1.0
257.04684	0.6
269.04575	1.2
271.05869	0.5
277.14584	0.6
284.03281	9.2
285.04004	8.4
286.04111	0.6
297.00595	0.8
297.04037	15.9
298.04791	11.3
299.05588	19.2
300.05737	0.8
309.04065	0.8
311.05579	3.2
319.10272	1.1
324.02856	0.6
325.03568	1.4
327.05103	100.0
328.05447	6.5
332.46945	0.5
339.05014	2.6
341.06735	1.0
349.11322	0.5
357.06177	25.8
358.06516	1.7
369.06265	2.3
393.06223	0.7
439.13977	0.7
447.09326	95.8
448.09781	6.5
482.27194	0.6
483.16623	1.5
483.24396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13902	0.3
52.93163	0.3
57.03449	0.4
59.01370	1.3
60.26738	0.3
68.99818	0.4
69.63416	1.9
71.01383	0.6
71.95200	0.3
81.03453	3.4
83.01386	5.9
85.02977	0.6
91.05564	0.5
93.03465	0.4
94.73472	0.3
95.01357	0.4
95.05026	5.8
96.96021	0.4
97.02956	1.7
99.04531	1.8
101.02436	0.4
107.05035	0.5
109.02947	0.6
111.04500	0.5
113.73689	0.3
119.05057	0.4
121.02973	0.7
122.03771	1.1
123.00886	0.4
123.04538	7.0
125.02450	10.5
135.04546	0.9
137.02472	2.8
137.04483	0.4
137.06087	8.3
139.04025	2.3
141.05609	2.4
147.04459	0.6
149.02455	0.8
149.06094	0.5
151.04012	1.4
155.03496	0.4
162.50540	0.3
163.04100	0.4
165.01863	0.5
165.05569	3.2
167.03496	29.5
168.03896	0.8
175.04062	0.4
177.01999	0.4
177.05574	0.8
179.02078	0.5
179.03511	5.2
181.05051	1.9
184.44916	0.3
191.03488	1.1
192.64627	0.3
193.01440	0.4
193.05040	4.3
197.04536	0.8
209.04550	100.0
210.04901	3.5
221.04550	20.1
239.05620	10.1
240.06006	0.4
251.05611	2.8
299.49155	0.3
311.07922	0.9
323.44641	0.3
329.08777	32.8
330.09134	1.5
341.08765	16.0
341.12961	0.8
342.08838	0.7
363.10928	1.2
372.14212	0.4
385.50064	0.4
397.17062	0.4
405.38116	0.3
422.23190	0.4
427.69092	0.4
473.91721	0.4
483.15073	27.5
484.15381	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	481.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.8
59.01382	43.1
60.42245	1.6
61.98838	13.6
65.99563	1.4
69.03468	3.0
69.04315	1.5
71.01376	12.7
71.02771	4.0
72.99303	3.9
73.02937	4.9
75.00871	5.2
78.95906	2.6
79.95794	1.7
82.05772	1.4
83.01381	6.2
85.02953	44.7
86.00102	3.5
87.00878	7.8
89.02438	2.8
90.76093	1.4
93.03461	47.5
95.01372	2.6
96.96020	3.5
99.00871	3.6
101.02446	6.6
111.00894	9.0
113.02431	8.0
120.05811	3.4
121.02974	8.0
123.00865	5.2
125.02428	3.6
129.01938	8.9
135.04536	3.7
137.02444	100.0
138.02788	2.8
141.01956	10.1
152.99562	1.9
167.03406	2.5
173.00931	5.5
185.11819	5.9
191.05533	2.1
231.17407	4.7
243.17738	1.8
251.05592	2.8
253.14574	2.0
259.16940	6.0
261.18588	56.7
262.18973	2.3
280.31235	1.7
319.19043	4.6
331.19034	2.8
359.13239	2.3
361.13068	1.8
378.16721	2.2
403.21259	7.4
421.22284	10.7
463.23373	37.5
464.23538	4.3
481.17081	3.8
481.24072	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	481.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16586	1.1
61.98829	2.8
70.10305	3.9
78.95901	43.7
96.96963	3.3
111.29958	1.2
119.24324	1.2
152.99588	61.4
171.00668	16.9
186.31195	1.2
227.03239	2.8
245.04303	100.0
246.04808	1.9
253.21721	62.2
254.22032	2.9
315.84161	1.4
441.77264	1.1
473.35056	1.1
481.25702	55.1
482.25989	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	482.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89859	0.4
57.03444	0.5
59.01381	36.5
61.98829	100.0
69.26781	2.6
69.27203	1.0
71.01384	2.6
71.05021	0.4
73.02963	1.8
83.01376	0.6
84.68710	0.5
85.02956	1.2
92.48048	0.4
93.03486	1.0
99.00917	0.5
101.02424	2.1
108.02202	0.5
109.02975	1.0
111.00885	0.5
113.02460	1.8
123.04516	1.2
124.01632	0.8
125.02448	0.6
130.08746	0.4
134.03749	1.4
135.04521	0.6
137.02440	2.1
139.04053	1.6
152.01123	0.9
153.01955	1.0
153.05542	0.6
161.04556	0.7
167.03494	0.8
173.04591	0.5
191.05568	0.9
235.16750	0.5
271.02536	0.5
278.17679	0.7
287.38693	0.4
300.02777	1.2
301.03577	1.2
308.12357	0.9
315.18188	0.8
333.19000	2.6
375.20255	3.7
447.09430	1.5
482.23413	0.7
483.19147	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.4
59.01380	4.7
61.98838	3.2
64.43975	0.5
64.62105	0.5
70.80223	1.3
71.01382	5.3
72.92207	0.5
73.02936	1.7
75.78093	0.5
81.03444	1.3
83.01385	0.9
85.02944	7.3
87.00886	1.1
88.98847	0.6
89.02444	0.8
93.03448	4.0
95.01384	1.9
99.04517	0.7
101.02432	3.1
108.02174	44.2
109.02955	32.2
110.03239	0.7
110.93704	0.6
111.04504	1.1
113.02453	2.8
121.03007	0.9
123.00880	1.4
123.04526	1.0
124.53544	0.6
125.02444	1.4
133.02950	0.8
134.03732	0.6
135.04468	1.7
137.02441	0.9
143.62431	0.5
151.03963	1.8
152.01147	52.8
152.77792	0.5
153.01939	13.8
155.03445	0.7
159.04448	0.6
161.04506	1.2
163.03976	0.9
165.35318	0.5
172.05273	0.6
173.04543	3.2
173.05981	1.1
179.03606	0.8
183.10333	1.0
187.03975	1.4
187.07622	6.2
191.05602	42.2
192.05933	1.9
201.05522	0.9
202.06367	5.5
231.10272	9.5
232.10690	0.7
262.58499	0.5
275.08881	0.7
285.32373	0.5
289.07492	0.6
289.10727	2.0
315.07190	4.1
449.14468	1.3
481.17108	100.0
482.17365	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	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99490	0.5
57.03423	1.2
59.01378	7.2
61.98837	4.4
66.23122	0.5
69.19975	5.8
71.01379	2.7
72.59493	0.7
73.02963	1.0
81.03461	0.6
83.05029	0.9
85.02953	10.1
87.00879	4.7
88.98803	1.1
91.21147	0.6
93.03446	6.5
98.32845	0.7
99.00904	0.8
101.02436	2.3
109.02957	4.1
111.04527	3.2
113.02437	0.8
119.04971	1.1
125.02461	1.1
127.04004	2.5
129.01959	0.7
134.03711	1.1
137.02454	1.4
148.64232	0.7
155.03532	3.0
158.03732	1.2
159.04475	2.9
171.03000	0.9
172.05246	3.4
173.04530	10.9
173.06053	3.9
175.07674	1.0
182.02223	0.7
183.04555	0.7
184.05247	0.8
187.04077	3.7
187.07635	45.8
188.08064	2.1
191.05609	100.0
192.05960	2.5
200.04762	0.9
201.05583	4.5
202.06340	20.4
203.06908	1.4
203.10843	1.2
211.88208	0.6
213.09216	9.5
215.07135	7.4
216.07849	1.2
219.10315	0.8
221.46317	0.6
230.44350	0.6
231.06743	1.1
231.10248	27.1
232.10634	1.8
245.11765	1.1
247.09692	1.1
248.10518	0.9
257.08237	1.1
263.12894	8.2
275.09247	19.3
276.09769	0.7
289.10767	3.5
307.11859	16.4
308.12354	0.9
449.14508	9.9
463.16083	1.4
481.17157	25.3
481.26520	9.5
482.17624	2.3
482.26999	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89505	0.3
57.03444	1.8
59.01375	3.0
60.99306	5.0
61.98829	19.0
65.03974	0.6
67.01888	15.0
69.03445	3.4
69.33160	3.5
71.01373	5.5
71.05010	0.4
81.03448	1.9
83.05032	2.5
85.02952	0.8
87.00334	0.8
87.00873	17.3
93.03457	100.0
94.03794	2.4
97.06578	0.7
99.00878	2.0
99.04509	2.3
109.02957	1.4
111.00920	0.5
111.04514	13.3
113.02466	1.4
115.04014	0.8
121.02970	0.5
128.69312	0.4
129.01955	2.4
133.02931	2.1
134.03741	11.6
135.04552	4.1
137.02449	3.6
139.03996	0.8
143.03468	0.9
151.03964	0.5
155.03514	3.9
162.03279	0.6
164.89345	0.4
173.04539	79.3
174.04915	1.3
175.04347	0.4
177.01891	2.7
178.02698	12.8
179.03508	3.2
191.05621	1.6
215.05817	0.4
219.99475	0.5
259.44000	0.4
275.09174	2.1
307.11887	0.9
308.09250	0.6
351.07150	1.0
352.07822	1.4
429.33386	0.4
449.14499	40.2
450.14899	3.6
481.17123	32.8
482.17316	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
59.01374	2.1
60.99298	0.7
61.98828	1.2
66.84829	0.5
67.01884	3.2
69.03436	0.9
69.31808	1.9
69.32240	2.2
71.01373	1.6
75.00652	0.5
78.00796	0.4
81.03447	1.1
83.05022	0.8
85.02953	6.2
87.00883	4.0
93.03454	20.6
98.34086	0.5
99.04514	0.7
109.02944	5.5
111.04512	4.2
121.02967	0.6
122.03732	0.7
125.02443	0.7
127.03988	1.9
129.01929	0.7
137.02454	0.9
143.94630	0.5
155.03467	1.9
158.03700	0.7
159.04501	2.1
168.00664	0.5
171.03001	0.7
172.05234	0.9
173.04553	23.8
173.06006	2.5
174.04973	0.9
174.06754	1.1
179.03442	0.7
187.04057	0.8
187.07637	12.9
188.08049	0.7
191.05602	100.0
192.05945	2.9
197.06186	0.9
200.04910	1.1
201.05521	1.7
202.06345	15.1
203.06804	0.8
203.10815	1.4
213.09203	6.8
214.09608	0.6
215.07137	1.2
231.10258	27.9
232.10585	1.4
257.08167	7.0
275.09238	12.0
289.10678	0.7
307.11829	2.6
367.25403	0.5
368.92065	0.5
449.14517	21.5
450.14948	1.9
456.18527	0.5
481.10123	0.7
481.17099	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
61.98829	1.6
69.48572	1.6
69.48980	0.4
69.90918	0.3
71.01393	0.4
73.02967	0.3
76.01627	0.3
77.25447	0.3
81.03449	0.8
83.05037	1.2
85.02954	0.6
87.00906	0.3
93.03447	3.3
97.06592	5.7
98.20696	0.6
105.03427	0.5
106.04247	0.5
109.02945	0.4
111.04505	3.2
127.04021	0.6
129.01894	0.3
130.90349	0.3
133.02956	4.2
134.03737	100.0
135.04584	8.4
137.02432	1.9
139.04013	0.4
140.56155	0.3
155.03488	5.2
173.04544	8.8
173.06042	0.4
177.01949	5.9
178.02702	19.3
179.03473	2.0
180.26743	0.3
191.05615	5.1
202.06212	0.3
203.10669	0.3
203.60922	0.3
231.10257	3.9
275.09259	4.6
307.11847	97.8
308.12222	5.9
449.14026	0.4
481.17029	5.8
482.17404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.9
59.01362	1.7
60.14838	0.4
60.99303	5.6
61.13306	0.5
67.01890	15.3
69.03451	4.6
69.42537	3.1
71.01382	6.4
73.02944	0.5
81.03461	3.7
83.05029	2.1
85.02953	0.9
87.00877	17.0
92.11738	0.5
93.03455	100.0
94.03785	2.0
97.06580	2.0
99.00872	2.0
99.04517	1.5
105.33717	0.5
109.02949	1.4
111.04515	12.8
113.02440	1.6
115.03970	0.7
129.01932	2.4
133.02943	2.1
134.03737	30.8
135.04572	2.9
137.02446	4.0
143.03461	0.7
155.03473	5.2
173.04538	97.8
174.04929	2.5
177.01923	3.0
178.02711	8.8
191.05620	1.0
231.10233	1.1
268.04126	0.5
275.09213	3.1
307.11838	9.1
308.12372	0.5
435.64093	0.5
449.14520	12.7
450.14709	1.9
481.17120	48.6
482.17416	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	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
59.01370	1.8
59.93587	0.6
60.99303	5.9
65.03941	0.5
67.01891	13.5
69.03458	4.3
69.32779	4.0
71.01380	4.4
77.12628	0.5
81.03461	1.8
83.05032	2.2
85.02943	1.3
87.00876	19.6
93.03455	100.0
94.03788	1.9
96.02237	0.5
99.00880	1.4
99.04510	1.6
109.02947	0.9
111.04519	13.2
112.04922	0.5
113.02449	1.4
113.14382	0.6
115.04025	1.0
129.01927	2.6
133.02939	2.1
134.03737	8.1
135.04471	2.0
137.02440	2.3
139.04077	0.8
143.03482	1.2
155.03534	2.9
162.03224	0.9
173.04539	51.8
174.04852	1.5
177.01912	1.7
178.02725	9.0
179.03458	1.8
191.05586	1.4
240.62758	0.7
275.09140	0.7
351.07285	1.1
352.07770	1.2
449.14496	54.4
450.14810	3.8
481.17050	27.1
482.17340	2.1
497.24667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
61.98825	1.0
71.01382	1.1
71.53766	0.3
73.02956	0.4
75.25959	0.2
75.45470	0.2
80.80542	0.2
83.01390	0.7
83.05028	1.2
85.02956	0.6
85.65488	0.3
88.03450	0.2
88.98804	0.6
89.02456	1.0
91.05588	0.2
93.03461	2.5
99.00864	0.3
101.02460	0.6
109.02961	0.9
111.00880	0.7
111.04530	4.4
113.02403	0.3
119.05026	100.0
120.05360	3.1
123.66182	0.3
135.04515	2.6
137.02466	0.9
155.03513	1.5
161.04446	0.3
163.04004	90.0
164.04352	2.8
168.98343	0.3
173.04620	0.7
173.06076	0.3
174.01727	0.3
191.05612	1.6
191.07115	0.3
205.04936	0.2
275.09177	0.4
299.07797	1.2
307.38483	0.3
325.09247	2.5
417.00107	0.3
445.11270	1.0
463.12296	1.3
481.13571	2.7
482.16177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86445	0.6
54.15299	0.6
57.03458	1.6
59.01374	2.0
60.99310	5.3
67.01889	13.4
68.00658	0.6
69.03461	5.0
71.01372	5.8
71.31535	1.0
73.55456	0.6
77.94391	0.6
81.03464	2.5
83.05037	2.3
85.02966	1.1
87.00343	0.9
87.00878	18.1
93.03459	96.5
94.03803	1.9
97.06602	2.2
99.00866	1.9
99.04509	1.7
108.02204	0.8
109.02979	2.1
111.04522	15.4
113.02449	2.3
115.03995	0.7
129.01930	2.6
133.02983	3.7
134.03743	35.4
135.04568	7.7
137.02435	5.7
139.04027	1.0
155.03491	5.3
162.03282	0.7
169.29364	0.6
173.04546	100.0
174.04907	2.0
177.01910	6.6
178.02707	21.6
179.03461	4.3
180.03592	0.6
191.05652	1.2
191.12180	0.7
214.72916	0.6
219.58376	0.5
231.10310	3.1
232.10376	0.7
242.37999	0.5
275.09253	8.8
307.11850	19.1
308.12140	1.0
449.14493	8.5
481.17102	50.3
482.17508	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	481.0988
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
57.03451	5.7
58.34225	0.7
59.01381	7.1
61.98833	5.5
63.02406	1.0
65.00329	8.5
67.69704	0.6
69.63892	4.7
71.01370	4.1
72.99313	0.9
73.02938	2.3
79.31455	0.6
81.03442	2.4
83.01392	10.2
85.02948	5.2
88.98748	1.6
89.02438	1.8
93.03448	1.6
95.01357	1.6
96.96003	1.6
97.02965	1.8
101.02435	3.1
107.00726	1.2
107.01395	14.7
108.02169	1.3
109.02939	4.2
110.68303	0.7
111.00865	1.4
113.02426	1.7
121.02948	1.1
123.00831	1.2
123.04512	2.5
124.01689	3.8
125.02444	38.4
129.01958	0.8
131.01353	1.1
135.04523	0.8
137.02438	2.9
139.03996	3.2
139.11284	1.8
149.02431	2.0
151.00368	66.7
152.00795	1.7
153.01947	7.6
153.05540	1.0
155.10849	0.7
161.02510	0.8
161.04596	0.8
165.01894	1.7
167.03482	7.3
168.00621	2.5
168.03952	0.7
169.01422	20.5
175.00351	5.2
179.03499	1.3
183.10162	1.2
187.07765	1.1
191.05545	4.1
193.01425	4.6
201.11377	1.7
206.98479	0.7
209.04514	1.7
211.98663	0.7
216.49321	0.8
221.04539	0.7
235.02258	0.8
251.37114	0.9
257.99606	0.7
275.09238	0.8
291.44833	0.7
297.06113	3.0
311.07925	1.1
313.05542	1.1
318.09702	1.6
365.18024	1.3
437.10867	1.9
445.71698	0.7
481.09824	100.0
481.27014	7.3
482.10077	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	480.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86174	0.3
58.64758	0.3
61.70996	0.3
61.98829	100.0
70.38885	0.7
70.39239	0.7
78.95934	0.5
94.95554	0.3
119.25944	0.3
180.75075	0.3
215.25607	0.3
283.26413	3.1
355.28888	0.3
441.40152	0.3
480.31155	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26994	0.1
53.94316	0.1
61.98822	0.2
62.96360	0.1
66.52088	0.1
69.79057	0.1
71.24201	0.2
71.47023	0.1
78.95905	18.4
89.84011	0.1
96.96961	0.3
122.98556	0.2
134.98502	0.2
136.01645	0.1
151.04019	0.2
152.99591	2.4
163.03998	0.1
163.75797	0.1
168.02922	0.2
168.04312	2.9
194.05885	0.2
224.06921	7.8
225.07310	0.2
237.21944	0.1
242.08000	1.7
253.21765	0.2
255.23286	100.0
256.23630	5.7
260.50943	0.1
281.24731	0.1
283.25635	0.2
337.44931	0.1
343.11240	0.3
347.08295	0.1
391.22552	0.1
411.17627	0.2
480.30917	30.6
481.24643	0.2
481.31281	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13496	0.5
53.69346	0.4
54.77054	0.4
55.01878	0.9
59.01379	2.2
61.98813	0.5
69.34889	4.2
69.65533	0.4
71.01376	1.7
71.05016	5.7
73.02922	1.0
75.44398	0.5
83.01384	1.1
85.02909	1.1
89.02451	0.8
89.41255	0.5
93.03406	0.8
95.05022	6.5
97.02948	17.6
101.02422	0.9
102.41249	0.5
108.02204	0.7
109.02950	8.9
113.02460	1.2
113.32735	0.5
115.03985	0.5
119.05035	1.3
121.02957	1.2
125.02410	0.8
131.03554	0.5
135.04526	1.2
137.02437	3.6
139.04012	100.0
140.04355	2.3
149.04559	0.7
153.01933	13.8
163.03993	3.4
165.01930	21.9
166.02477	0.5
167.03505	0.6
168.72725	0.7
183.02977	11.1
207.03079	0.8
234.16060	0.6
255.05164	0.8
260.55411	0.5
274.89145	0.4
297.06146	1.4
315.07230	2.6
332.36588	0.5
345.08246	66.9
346.08618	3.6
463.08521	1.2
475.89249	0.5
481.09351	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	481.0988
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
61.98816	1.9
62.27974	0.6
66.67088	0.6
69.03455	2.2
70.92024	1.2
71.01375	1.5
76.41960	0.6
79.01874	1.1
81.03481	1.1
83.01389	1.4
85.02959	1.3
91.01897	0.7
95.01369	1.8
97.02943	2.1
101.02438	1.1
107.01379	2.4
108.02170	1.8
109.02994	1.8
111.00834	0.7
113.02481	1.0
123.00878	6.7
123.04512	3.7
124.01676	17.7
125.02457	31.7
126.02808	0.9
137.02431	2.7
149.99593	30.2
151.00417	4.1
152.01082	3.0
153.01898	1.7
166.02724	0.7
167.02174	0.9
167.03502	12.0
168.00645	55.9
169.01456	4.4
179.03481	0.8
191.05571	1.8
197.04639	0.7
201.11238	0.8
269.06619	1.1
270.65854	0.7
305.07913	0.6
311.07712	4.1
313.05591	1.7
331.06689	3.8
341.08374	0.9
463.09036	1.5
481.09827	100.0
482.10052	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	480.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
59.01387	1.3
61.98829	100.0
67.01888	1.0
69.03458	0.4
69.65929	1.4
71.01384	0.8
80.27985	0.2
83.05008	0.2
85.02962	0.4
85.21779	0.2
87.00876	1.0
93.03455	7.0
98.19956	0.4
101.02477	0.2
104.49258	0.2
109.02959	0.4
110.22126	0.2
111.04519	0.9
125.02435	0.4
129.01929	0.3
133.02986	0.6
134.03732	1.2
135.04524	0.4
137.02475	1.0
155.03496	0.6
173.04552	11.2
177.01941	0.4
178.02678	1.1
179.03520	0.4
191.05634	0.4
245.08194	0.2
275.09256	0.5
307.11850	0.3
449.14484	1.8
481.16824	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	480.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55857	0.2
59.01383	1.7
61.98828	100.0
71.01393	0.6
72.50986	0.2
73.02953	0.2
77.61383	0.3
85.02984	0.6
89.02425	0.3
93.03468	0.4
98.19856	0.5
101.02437	0.3
121.02939	0.3
125.02454	0.3
133.03000	0.6
134.03764	1.0
135.04524	2.2
137.02455	0.5
173.04587	0.5
174.06937	0.4
177.01904	0.8
178.02742	0.7
189.09238	0.5
191.05638	1.4
205.83875	0.3
274.15781	1.6
275.09326	1.1
275.16492	3.4
307.12097	0.3
334.86929	0.3
421.20944	0.5
481.20874	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31292	0.2
57.03452	0.2
57.45240	0.1
59.01368	1.2
61.98829	100.0
67.01887	1.1
69.03435	0.3
69.18622	0.3
69.19022	1.2
69.74636	0.1
71.01385	0.8
73.64886	0.1
83.05039	0.2
85.02947	0.4
87.00887	0.3
89.02451	0.2
93.03454	5.3
96.67896	0.1
98.20711	0.3
101.02492	0.2
109.02963	0.3
111.00885	0.3
111.04497	0.7
112.62704	0.1
113.02505	0.1
119.04982	0.2
125.02460	0.6
129.72789	0.1
131.41133	0.1
133.02991	0.4
134.03748	1.4
135.04552	0.5
137.02443	1.0
139.04068	0.2
155.03517	0.9
173.04539	16.7
175.39037	0.2
177.02022	0.5
178.02725	1.2
179.03537	0.4
191.05632	0.4
231.10374	0.2
275.09372	0.5
289.07083	0.2
306.07336	0.2
307.11987	0.4
449.14746	0.7
481.16565	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87879	0.3
53.36753	0.3
57.54131	0.3
59.01381	31.7
60.01713	0.3
61.98832	100.0
66.05527	0.3
69.24590	2.0
69.25011	1.0
71.01386	3.1
73.02960	1.3
78.40818	0.3
82.44122	0.4
85.02946	1.7
89.02443	1.7
101.02431	1.6
108.59656	0.4
113.02474	1.5
119.03480	0.5
123.04482	0.4
134.03734	1.7
135.04507	0.5
137.02489	0.8
152.01118	0.4
157.56198	0.3
161.04630	1.3
167.03546	0.4
178.02631	0.4
191.05698	0.4
216.07919	0.4
247.87918	0.3
307.12012	1.3
313.16745	0.8
331.17630	2.2
373.18811	2.4
381.62668	0.3
481.17480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	37.1
61.98830	100.0
62.51379	0.4
67.19542	0.4
71.01383	5.0
72.12419	0.4
73.02943	4.8
83.01395	1.5
85.02940	2.6
87.00916	0.6
89.02457	2.3
89.02960	0.4
93.03490	2.0
98.19871	1.1
101.02443	5.3
107.33114	0.4
109.02962	1.3
111.04566	0.4
113.02443	2.2
119.03531	1.3
125.02465	1.2
127.03989	0.5
131.03520	0.5
132.94296	0.4
133.02914	0.5
137.02461	0.5
143.03566	0.5
148.09154	0.4
149.04433	0.5
151.04059	0.7
152.01178	0.4
155.03525	0.7
161.02510	0.6
161.04547	2.2
161.05765	0.4
173.04562	3.1
187.07663	3.0
191.05618	18.0
192.06012	1.3
201.05441	0.4
202.06332	1.8
231.10248	5.1
275.09030	0.4
288.09488	0.5
307.11798	0.7
313.16647	1.1
331.17691	0.9
349.18756	0.5
373.18680	3.0
387.89926	0.5
388.58002	0.5
480.16638	1.1
481.17261	2.7
481.23102	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	30.8
61.98833	100.0
65.71436	0.5
70.55233	0.9
70.55594	1.1
71.01389	4.5
73.02950	3.9
75.27401	0.4
83.01381	0.7
85.02956	1.6
89.02452	1.9
101.02446	5.3
108.02225	1.2
109.02924	0.8
109.61935	0.5
113.02454	3.2
119.03471	0.9
137.01025	0.5
143.03526	0.5
149.04613	0.7
152.01131	1.0
159.06702	1.3
161.04507	3.0
166.93961	0.4
167.60745	0.5
179.05653	1.0
192.81464	0.5
221.06726	0.6
225.43524	0.5
249.09741	0.6
283.30988	0.5
291.10898	1.0
313.16663	1.3
331.17615	2.6
373.18860	2.1
411.38452	0.5
481.17416	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	480.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30201	0.6
59.01080	0.7
59.01381	29.3
61.98832	100.0
65.85563	0.6
70.55379	2.0
71.01392	10.5
71.77010	0.6
73.02944	18.1
76.54208	0.6
83.01398	4.4
85.02950	2.0
87.00874	0.7
89.02449	3.1
98.20618	0.6
101.02439	17.2
113.02449	6.4
114.71885	0.6
119.03516	2.0
125.02491	0.8
131.03523	2.0
143.03529	2.6
149.04593	4.0
161.04541	6.9
173.04730	0.7
184.01582	0.6
203.05707	1.1
221.06612	1.9
283.82202	0.7
507.40125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01065	0.9
59.01378	36.3
61.98828	100.0
69.59769	3.2
71.01380	4.5
72.90842	0.5
73.02956	4.5
78.98528	0.5
83.01397	1.4
85.01782	0.5
85.02956	1.7
89.02442	3.2
92.51752	0.5
93.03471	1.4
101.02445	4.9
109.02953	0.8
110.04063	0.5
111.04497	0.5
112.39722	0.5
113.02451	3.7
119.03517	0.7
125.02436	0.9
137.02429	0.7
149.04520	0.7
156.12614	0.5
161.04610	1.8
173.04570	1.7
187.07649	1.8
187.13304	0.8
191.05569	8.6
192.05978	1.2
202.06265	1.2
207.38020	0.5
231.10129	2.5
307.12042	0.7
313.16809	0.9
331.17578	0.9
373.18848	2.9
449.14600	0.5
480.16776	1.1
481.17194	1.5
481.23074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93781	0.3
58.74836	0.3
59.01381	40.1
60.01699	0.4
61.98832	100.0
65.34840	0.3
69.32671	1.2
69.33093	1.7
71.01379	3.9
73.02971	1.6
73.74261	0.3
75.68185	0.3
83.01421	0.5
85.02943	2.5
89.02460	0.8
93.03454	5.8
94.03783	2.3
96.95978	0.4
98.20718	0.7
99.00877	0.8
101.02444	3.5
108.02173	0.5
109.02987	0.6
111.00903	0.3
113.02419	2.0
123.04539	0.9
134.03764	0.7
137.02444	8.3
138.02782	3.9
139.11263	0.5
151.58116	0.4
152.01173	0.5
153.01942	0.6
153.05684	0.9
161.04607	1.8
167.03505	0.6
191.05589	0.5
201.11423	1.1
202.11732	0.5
219.49382	0.4
307.12006	0.6
331.17609	4.7
345.29132	0.3
373.18597	4.3
481.17068	0.9
481.23059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
59.01381	47.7
60.01720	0.6
60.81700	0.5
61.98831	100.0
69.30763	4.5
71.01389	6.3
72.99308	0.7
73.02964	1.5
83.01409	0.8
83.50470	0.5
85.02959	5.3
87.00936	0.5
89.02447	3.4
93.03463	0.6
95.01371	0.6
95.98062	0.4
96.96004	5.8
99.00940	0.8
101.02442	4.6
104.86095	0.5
108.02187	0.9
113.02457	2.5
119.03511	1.8
125.02435	1.0
129.01994	0.6
138.83795	0.5
139.11249	0.5
143.03580	0.8
145.02956	0.8
152.01155	1.2
153.05637	0.6
161.04608	2.5
167.03545	0.9
183.49181	0.5
185.87338	0.4
187.13354	0.6
191.05667	0.9
201.11307	1.0
203.49005	0.5
206.09471	0.5
241.00383	1.4
313.16486	0.7
331.17642	7.6
332.18042	0.8
349.18817	1.2
373.18680	8.4
374.19107	1.0
395.06726	2.4
437.07904	0.8
438.52631	0.5
480.11530	1.4
480.21732	0.9
481.06808	1.0
481.18011	1.7
481.27496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
57.03450	0.7
59.01380	43.5
61.98830	100.0
71.01387	5.3
73.02953	1.3
79.95792	0.4
83.01407	0.7
85.02960	3.5
89.02443	4.4
96.96009	4.2
98.19935	1.1
99.15696	0.4
101.02428	4.0
108.02197	1.4
109.03014	0.5
113.02440	2.7
119.03516	1.5
125.02451	0.4
129.01913	0.7
139.11237	0.6
152.01125	1.5
153.05664	0.7
161.04626	1.5
191.05667	0.7
201.11415	0.5
241.00282	1.2
313.16779	1.1
331.17599	8.4
332.17911	0.6
349.18713	0.8
373.18649	9.5
373.23175	0.6
395.06677	1.8
437.07721	1.4
480.11292	0.8
481.06683	0.6
481.17389	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	480.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23745	0.3
59.01374	0.5
61.98832	100.0
71.53056	0.4
78.95911	0.8
85.02978	0.5
96.96023	0.6
96.96959	1.8
108.31855	0.3
114.05612	0.5
119.75979	0.3
164.07175	0.3
210.52165	0.3
249.01523	0.3
273.41919	0.3
377.87344	0.4
426.71518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
57.75017	0.7
59.01382	46.0
61.98834	100.0
70.29030	0.7
70.29377	2.5
71.01393	5.8
73.02977	1.8
79.05538	0.7
81.03470	1.1
83.01418	0.7
85.02965	4.0
89.02455	2.3
93.03466	0.9
96.96025	6.2
101.02460	3.8
106.76974	0.7
108.02251	0.7
109.02991	0.9
113.02483	1.8
117.33790	0.6
121.03013	1.2
123.00896	1.4
123.04546	7.0
124.01667	5.8
124.04879	2.7
125.02444	0.9
135.04527	0.8
137.02393	1.4
139.04027	9.6
149.02458	2.1
150.02850	1.2
152.01192	1.4
153.01869	1.0
153.05637	1.4
154.02274	0.9
161.04543	1.1
164.66371	0.7
167.03465	4.9
168.03903	2.2
182.02226	0.7
183.03047	1.6
187.13385	3.1
191.03514	1.1
197.04556	2.1
218.57422	0.7
233.04715	0.9
241.00264	1.7
244.03270	1.5
246.03845	1.2
247.16949	0.8
253.34520	0.8
271.02380	1.2
273.03082	1.2
274.03326	0.9
298.06488	1.2
311.07617	1.0
312.08081	0.9
313.16739	1.0
315.04858	0.8
316.04974	1.3
317.05511	1.3
327.07202	1.1
331.17603	3.1
333.68042	0.6
341.08813	5.6
349.18539	4.7
361.09512	0.8
373.18671	4.5
395.06638	2.5
436.13742	1.6
437.07565	1.1
480.11841	19.1
481.06918	1.3
481.13406	3.1
481.22330	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	479.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86072	0.3
60.39814	0.3
67.01883	1.2
68.99824	1.3
70.28322	1.2
71.01379	1.1
75.45252	0.3
77.48293	0.3
78.51788	0.4
83.01377	0.6
93.03480	1.6
95.01402	1.4
106.11890	0.4
108.02161	2.2
109.02956	11.1
111.00864	1.9
117.03467	1.0
118.02301	0.4
119.05043	0.5
121.02214	0.3
121.02955	8.4
122.03745	9.9
123.00886	11.1
123.01766	0.7
123.04538	2.2
124.01683	6.8
125.02399	0.6
133.02962	1.1
134.03746	1.5
135.04524	3.3
136.01659	32.1
136.05217	0.5
137.02449	26.6
138.03253	4.5
139.00401	0.6
145.03006	0.6
146.03731	0.4
147.04524	2.0
149.02444	1.4
149.06110	0.6
150.03192	1.2
151.04005	37.8
152.01135	0.9
152.04308	0.7
153.01929	1.7
154.02689	2.0
159.04451	0.6
160.05260	0.9
161.02428	5.5
161.06090	1.5
162.03236	14.0
163.04007	35.7
164.04747	1.7
165.01962	0.4
173.06181	0.4
173.36794	0.4
175.03987	8.3
175.05522	0.5
176.04723	1.2
177.05563	14.8
178.05870	0.5
179.03493	13.4
180.04265	1.5
187.04028	0.5
189.05617	1.2
190.06366	1.5
191.07106	0.6
193.05067	5.2
194.05670	0.6
203.07141	0.7
210.96582	0.4
241.04999	2.1
244.59464	0.4
256.07318	1.5
267.06586	0.5
278.27701	0.3
284.71799	0.4
285.72403	0.4
297.07529	0.6
311.09094	0.4
312.10004	0.6
324.09991	0.4
327.08713	1.9
342.11063	100.0
343.11505	7.8
456.34378	0.4
479.24368	64.0
480.24704	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	479.224
Annotation	Unknow
Peak:m/z	Relative Intensity
66.43198	23.6
69.08393	22.4
70.26859	100.0
94.96134	24.4
333.49365	33.0
394.99503	25.9
412.14166	27.7
419.40445	23.9
420.22681	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07446	0.5
57.27188	0.6
57.27458	0.6
61.98829	0.7
65.03960	1.0
67.01878	1.8
68.99811	4.8
69.03440	1.3
71.01376	1.3
81.03438	1.4
85.81187	0.6
88.55738	0.5
89.04003	0.6
91.05505	0.5
92.95261	0.5
93.03432	1.6
95.01378	2.4
98.18115	0.5
105.03458	3.5
107.01367	2.1
107.05001	1.6
108.02157	4.6
109.02944	27.4
111.00878	2.0
111.04565	0.6
117.03455	15.2
121.02940	8.6
122.03738	9.3
123.00883	14.5
123.04523	5.2
124.01674	7.8
125.02477	0.8
130.48763	0.5
133.01944	0.6
133.02948	13.8
134.03682	2.2
135.00888	1.9
135.04533	4.6
136.01653	33.0
136.05170	0.7
137.02446	30.5
138.03239	7.2
145.02873	1.1
147.04485	2.4
149.02402	3.5
149.06047	0.8
150.03206	2.1
151.00377	0.7
151.03999	37.6
152.01199	1.2
152.04355	0.6
153.00807	0.6
153.01941	1.5
154.02698	1.4
159.04500	1.4
160.01660	0.7
160.05286	2.4
161.01120	1.2
161.02426	17.0
161.06033	1.9
162.03227	14.8
163.03999	39.9
164.04785	3.6
167.76248	0.5
175.03998	9.4
175.07599	1.0
176.04750	1.2
177.05563	15.9
179.03491	33.6
180.04027	2.0
187.03955	1.6
189.05566	2.1
190.06317	1.8
191.07001	0.6
193.05043	6.0
203.03529	0.9
203.07019	0.9
205.05101	3.2
241.05040	1.7
256.07330	1.5
296.06970	0.8
297.07632	0.7
311.09381	2.7
312.09995	2.3
324.09891	1.2
327.08640	1.5
341.10281	8.3
342.11041	100.0
343.11481	8.4
410.17303	46.0
411.17972	11.5
458.12393	0.6
479.24350	58.7
480.24612	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	479.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
57.03448	13.0
59.01379	2.4
61.98835	3.7
67.01873	0.6
69.03445	1.2
69.19408	3.4
71.01380	3.6
72.99297	2.1
73.02946	1.0
75.00895	1.0
76.92600	0.5
83.01381	4.7
84.02164	2.6
85.02952	100.0
86.03280	1.4
87.00871	2.4
87.37457	0.4
89.02472	0.4
90.58486	0.4
93.03497	0.5
101.02431	1.0
111.00885	12.0
111.08141	0.6
113.02481	0.4
115.00378	0.4
120.59432	0.4
121.02959	19.8
123.04529	0.4
123.08160	0.4
129.01945	25.3
130.02351	0.6
131.05037	0.6
133.06575	2.4
135.04532	1.4
137.02466	0.6
137.09767	0.5
139.11317	2.2
145.01418	0.4
146.07275	0.4
146.96425	0.4
147.02954	2.9
147.08185	0.5
152.99504	0.5
153.09247	0.6
155.10797	0.4
161.06085	2.4
167.03506	0.4
173.00906	10.8
183.10263	9.6
189.05580	5.1
191.01912	0.5
193.08797	0.5
199.09778	0.4
233.04552	0.6
243.17725	0.4
251.05609	6.0
251.12848	4.8
255.17630	1.1
271.02402	0.4
285.04056	0.4
295.04608	4.2
299.16458	1.3
306.38199	0.5
311.02136	0.5
313.12924	5.4
317.17130	0.5
327.05124	2.4
329.06583	0.6
357.11868	5.3
381.19839	0.4
430.76193	0.4
479.10812	0.9
479.16705	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1952
Annotation	Paraensidimerin G
Peak:m/z	Relative Intensity
57.03439	1.3
59.01376	7.5
61.98812	3.4
71.01376	3.0
71.47455	1.2
73.02946	1.3
79.95740	59.7
80.96501	4.0
83.01379	1.2
83.11877	0.9
84.79787	0.9
85.02943	4.7
87.00859	0.9
96.96014	48.5
101.02410	2.7
109.02970	1.0
111.00842	1.2
113.02403	0.8
118.47514	0.8
121.02941	1.0
129.01912	1.3
130.04295	0.9
138.97083	3.3
147.03317	2.0
158.03711	4.2
164.04836	1.1
167.03568	0.8
190.02693	1.3
238.98737	1.7
241.00276	8.1
256.99670	3.1
271.17020	1.9
273.01697	1.0
273.18561	3.6
299.16528	25.3
300.16748	1.5
317.17612	4.6
341.17566	1.8
359.14999	2.1
479.19464	100.0
480.19745	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85987	0.4
55.01874	2.9
57.03447	15.5
59.01374	7.3
61.98830	16.6
67.01881	0.8
69.03449	1.8
69.28973	1.8
69.29398	2.0
71.01385	4.8
71.11419	0.5
72.53021	0.4
72.99310	3.4
73.02934	2.1
75.00874	3.3
78.86646	0.4
79.95715	0.6
83.01381	5.7
84.02165	1.5
85.02947	100.0
86.03288	1.4
87.00863	1.3
89.02418	0.6
93.03463	1.3
95.95206	0.4
96.19740	0.6
96.95380	0.8
96.96011	15.4
97.06580	0.5
99.00879	0.7
101.02435	2.2
107.04955	0.6
108.02189	0.5
109.02907	0.9
111.00880	15.9
111.08266	0.5
113.02454	0.8
121.02953	28.8
122.03310	1.1
123.08186	0.8
129.01942	51.1
130.02248	0.7
131.05016	0.6
133.06598	2.1
135.04486	1.2
135.08105	0.5
137.02385	1.4
139.11287	2.1
143.38835	0.4
147.03000	4.7
153.05623	0.5
159.16322	0.6
160.01733	0.5
161.04620	0.5
161.06120	2.2
173.00899	17.2
173.02388	1.0
179.27484	0.5
183.10246	9.8
189.05551	4.5
205.12407	0.6
251.05594	6.4
251.12852	4.7
295.04575	5.0
295.11893	0.5
313.12955	9.7
313.16141	0.4
314.13132	0.6
331.17548	0.9
357.11868	5.3
479.15881	20.2
480.16190	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	479.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58097	0.5
55.01875	2.5
57.03452	15.1
59.01384	4.3
59.76359	0.4
61.98832	12.2
61.99160	0.7
67.01872	0.5
68.99828	0.8
69.03455	1.6
70.22475	1.9
71.01376	3.9
71.05010	0.6
72.99310	2.4
73.02951	1.4
75.00879	1.6
75.28639	0.5
83.01388	5.2
84.02166	1.4
85.02955	100.0
86.03306	1.9
87.00877	1.6
96.96017	5.8
98.19967	0.7
99.00871	0.5
101.02444	1.8
102.98638	0.6
107.05025	3.8
111.00886	11.9
111.08132	0.7
120.79327	0.5
121.02961	19.5
129.01949	47.1
131.05029	0.7
133.06595	3.2
135.04535	2.1
135.08109	0.7
137.02451	0.6
137.06075	1.3
139.11333	2.7
147.03026	1.4
151.04041	0.7
161.04688	1.0
161.06097	2.4
173.00909	11.9
183.10266	15.2
184.10561	0.6
189.05577	5.6
191.01920	0.9
233.04486	0.6
251.05589	9.8
251.12874	4.7
251.15245	0.7
295.04660	3.7
309.04193	0.5
313.12891	3.9
324.44928	0.5
327.05096	3.5
329.06729	3.9
357.11835	5.8
473.19666	0.5
479.11325	1.5
479.16953	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	479.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
57.03452	15.4
59.01387	2.9
61.98834	3.0
67.01907	1.0
68.99828	0.7
69.03455	1.5
70.09552	0.4
70.92070	1.3
71.01381	3.9
72.99298	2.2
73.02930	0.7
75.00870	1.6
83.01411	4.0
84.02175	2.1
85.02953	100.0
86.03289	2.0
87.00882	1.9
93.03465	0.8
99.00897	0.5
101.02460	0.9
102.64010	0.5
111.00888	12.8
121.02959	24.4
122.03304	0.5
123.08157	0.9
125.06068	0.7
129.01953	36.1
131.05089	0.6
133.02943	0.5
133.06583	2.2
135.04509	1.2
135.08119	0.9
137.06183	0.7
139.11293	1.0
143.05070	0.6
145.01466	0.8
147.03027	2.9
154.99876	0.5
161.04781	0.6
161.06108	2.1
173.00909	11.6
183.10268	7.8
189.05614	3.3
191.01985	0.5
193.08675	0.6
251.05629	8.1
251.12877	6.2
295.04535	4.0
313.12982	6.7
357.12009	4.2
479.15756	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	479.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.2
59.01378	17.2
60.02018	0.6
61.98833	27.3
65.00327	0.8
67.01903	0.9
70.92017	1.2
70.92334	0.8
71.01379	4.6
72.99316	0.8
73.02959	2.2
79.05522	4.5
81.03456	7.9
83.01385	5.9
85.02950	3.0
87.00908	0.8
89.02457	2.0
91.01888	1.1
95.01379	1.7
96.99352	0.8
97.03043	0.8
99.00834	0.8
101.02444	2.9
105.03463	5.8
107.01385	3.5
108.02174	2.7
109.02964	5.7
113.02476	2.6
121.02950	1.8
122.03727	3.8
123.00922	2.1
123.04528	68.0
124.04844	1.4
125.02460	7.4
131.01369	1.0
133.02986	0.8
135.04553	1.4
137.02464	3.2
137.06073	3.2
137.09721	1.8
145.02998	1.0
147.04533	1.1
148.01634	0.9
149.02441	21.3
151.00360	4.0
151.04057	3.8
152.01164	4.8
153.01938	11.0
153.05553	0.7
155.10786	1.1
161.04633	1.0
161.06001	0.8
163.04002	1.5
165.02005	1.7
165.05551	1.1
166.02707	1.5
167.03500	100.0
168.03854	3.2
179.03511	2.6
181.05098	0.9
189.05582	1.7
191.03513	66.9
192.03864	2.6
204.04324	1.1
205.05070	0.9
209.04572	1.1
225.05663	1.3
231.06540	0.8
233.04544	29.4
234.04858	1.1
243.06660	3.5
258.09039	4.4
273.11285	4.9
275.05640	0.8
284.02652	0.7
296.05414	1.9
297.06131	6.8
311.07748	20.8
312.08078	1.3
317.10263	14.5
331.17612	0.9
347.17157	0.9
359.07672	1.1
373.18555	1.5
380.11069	0.8
435.12985	6.3
447.09067	1.4
479.11920	62.4
479.21140	2.8
480.12091	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	478.294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54548	0.2
59.01373	0.3
61.98816	1.2
70.55177	0.5
70.55510	0.4
71.01369	0.5
77.82797	0.2
78.95490	0.3
78.95908	4.5
87.81071	0.2
120.24994	0.3
121.94469	0.3
130.57959	0.3
133.61726	0.3
140.01176	1.8
152.99541	0.4
196.03755	1.1
214.04851	2.3
267.10040	0.3
275.22888	0.3
277.21741	0.7
278.22055	1.9
281.24838	100.0
282.25186	6.8
329.39752	0.3
342.73672	0.3
446.80325	0.3
478.29425	13.1
479.29633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05905	0.5
59.01380	7.1
60.99292	0.6
61.98832	6.9
67.01877	1.3
70.05823	1.1
70.06204	1.1
71.01383	6.1
73.02947	2.4
81.03438	1.2
83.01393	1.2
85.02948	3.1
88.98797	3.8
89.02454	1.6
91.01897	1.4
95.01393	2.1
96.99314	1.0
101.02426	4.5
107.01379	4.6
108.02177	31.3
109.02961	10.7
111.00864	1.9
113.02470	3.4
123.00907	3.6
123.01621	0.6
123.04520	23.4
124.01682	1.0
124.04914	0.7
125.02455	2.0
136.01575	0.6
150.03232	0.8
151.00375	6.9
151.99854	0.9
152.01152	58.9
153.01947	22.3
166.02724	8.3
167.03491	100.0
167.10756	0.8
168.03899	2.8
179.03481	0.7
181.05066	5.4
185.11833	2.3
191.03519	1.8
192.63216	0.6
193.05057	0.6
193.43741	0.5
195.02989	1.2
201.11339	0.8
209.04446	0.7
221.04565	0.6
233.04570	0.7
245.35555	0.6
257.04477	1.0
296.05438	2.8
297.06149	37.7
298.06503	2.1
311.07733	34.1
312.08078	1.9
347.17255	1.7
479.11969	44.9
479.21255	1.5
479.25812	1.6
480.12186	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	477.307
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04252	1.2
59.01383	18.8
61.98821	2.1
64.69701	1.2
70.54481	4.5
71.01373	14.4
71.78132	1.4
72.99281	1.3
73.02947	3.8
84.91296	1.3
87.04515	3.1
89.02429	3.7
101.02441	7.1
105.62807	1.6
113.02428	8.9
136.75339	1.4
161.04533	2.0
179.11980	1.4
201.11514	1.5
239.23857	2.4
251.23729	1.7
255.23289	76.5
256.23499	6.4
267.23245	3.4
269.24844	100.0
270.25116	5.3
279.23325	4.7
297.24335	16.3
313.23718	5.1
317.03036	1.5
396.72995	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	16.7
61.98802	8.3
63.84838	6.7
71.01379	8.2
71.05981	6.2
71.53866	8.2
74.70304	5.8
83.20638	6.0
113.02440	7.8
146.12273	6.9
176.74887	5.7
255.23293	94.6
256.23651	6.7
269.24838	100.0
270.25302	9.2
297.24426	19.4
332.18405	6.9
371.94540	6.9
438.65585	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	478.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.6
60.01697	0.3
61.98830	100.0
69.45148	0.5
69.45567	1.0
71.01393	0.6
85.02953	0.5
88.98817	0.3
89.02450	0.6
94.03888	0.2
101.02435	0.5
113.02460	0.3
113.43175	0.2
125.02464	0.3
173.04497	0.4
191.05621	0.4
217.21841	0.2
263.43829	0.2
293.39603	0.2
318.42285	0.2
336.23834	0.2
346.15933	0.8
435.13010	0.3
478.20200	0.7
479.12418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63926	0.6
55.01889	1.2
57.03447	1.5
59.01379	100.0
60.01729	1.0
61.98829	1.6
69.42796	4.0
71.01382	23.2
72.99295	0.8
73.02943	5.7
83.01404	2.3
85.02952	11.3
87.00904	1.3
87.04546	1.0
89.02432	9.2
95.01409	2.0
97.02943	0.9
99.00889	3.1
101.02442	13.7
109.48801	0.7
113.02452	9.7
116.91570	0.6
119.03519	3.8
125.02440	0.7
143.03522	1.7
159.03023	2.5
161.04553	19.3
161.05885	1.1
179.05658	2.0
195.81691	0.7
211.77042	0.6
255.19705	1.9
417.24933	54.8
418.25320	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	477.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01720	0.5
61.32196	0.2
61.98840	1.0
68.46434	0.2
69.60371	0.7
69.60779	0.5
71.01379	0.3
87.43217	0.2
98.20630	0.3
101.02445	0.5
108.24143	0.2
109.02944	0.2
119.05022	5.7
119.05817	0.4
120.05344	2.2
121.05669	0.6
123.00879	0.2
153.01965	0.8
155.02457	0.3
162.96170	0.2
163.03981	2.1
163.05107	0.2
164.04366	1.4
165.04547	0.8
167.03549	0.4
168.03824	0.3
177.05560	0.2
297.06082	0.3
298.06589	0.4
299.06760	0.6
311.07751	0.3
312.08185	0.6
313.08246	1.3
375.24249	0.2
417.25052	0.3
470.68460	0.2
477.13187	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	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
57.03444	1.5
58.00592	0.9
59.01378	100.0
60.01712	0.5
61.98830	2.2
67.01815	0.5
69.12321	0.4
69.39143	2.4
69.39570	1.6
71.01380	34.1
72.01737	0.6
72.99318	1.3
73.02945	7.0
75.00879	0.5
81.67220	0.5
83.01383	3.9
85.02948	14.0
85.84206	0.5
87.00889	1.9
87.04527	0.8
88.98792	1.6
89.02441	19.0
95.01374	2.4
97.02975	0.7
99.00887	3.2
101.02441	23.0
113.02447	15.1
118.98093	0.6
119.03502	9.8
125.02520	0.7
129.01997	0.8
131.03503	1.2
143.03479	3.4
149.04578	1.0
156.08228	0.5
159.03038	3.2
161.04559	23.1
162.04919	0.7
163.04022	2.6
170.55447	0.4
178.06383	2.2
179.05608	6.8
184.00087	0.5
193.08760	3.6
255.19690	2.2
417.24936	57.5
418.25272	4.8
452.80414	0.5
477.26007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28812	0.9
51.93078	0.8
59.01379	100.0
61.98830	3.6
62.77152	0.9
71.01383	9.1
71.54120	1.3
72.70981	0.9
73.02940	2.5
83.01394	2.6
85.02937	5.5
87.00877	4.1
88.98802	5.4
89.02441	4.9
99.00890	1.5
101.02425	7.3
113.02459	4.7
129.19302	0.9
161.04576	2.6
191.01970	1.2
296.47192	1.0
296.70267	1.1
297.16946	2.1
307.03632	1.0
387.11896	3.3
391.23486	7.1
433.24380	2.6
477.14832	2.2
477.23651	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	477.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.6
67.01882	0.4
69.03452	1.2
71.01382	0.7
71.23537	0.6
91.91196	0.3
93.03460	6.0
107.05009	0.8
109.02976	0.7
119.05077	0.4
121.02953	48.5
122.03170	0.6
122.03727	1.6
123.04510	1.5
134.03723	0.4
135.04517	5.5
136.01648	1.1
137.02414	2.8
146.03764	0.4
147.04506	1.8
149.02402	1.2
154.02692	0.4
159.04497	0.9
160.05296	0.5
161.06075	0.9
163.04008	3.2
164.04820	1.6
165.05565	0.3
175.04005	1.2
176.04796	4.1
189.05525	0.8
229.09619	0.3
255.06874	0.4
255.23254	2.3
269.24799	2.5
297.24399	0.7
340.09494	100.0
341.10187	31.7
342.10599	1.5
477.35684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33729	0.8
59.01381	100.0
60.01741	1.1
60.49372	0.9
60.64539	0.8
60.99307	0.8
61.98827	32.7
67.01884	0.9
69.36550	6.7
71.01380	13.6
72.99327	1.9
73.02951	3.2
83.01393	1.7
85.02958	6.2
87.00853	1.5
88.98808	1.8
89.02440	9.4
95.01398	1.9
97.02960	0.9
101.02442	11.3
101.59026	0.8
101.91995	0.9
107.01411	1.8
108.02164	1.4
109.02956	1.1
111.00852	1.5
111.68661	0.8
113.02428	7.0
119.03503	2.0
121.03017	1.0
123.00880	0.8
123.04527	3.5
131.03511	1.1
132.83510	0.9
135.04492	1.3
149.02454	8.2
149.04329	0.9
150.03221	23.1
150.06578	0.9
151.00400	1.7
151.04022	3.6
152.01170	4.0
153.01903	1.2
156.37784	1.0
159.03059	1.2
161.02477	0.9
161.04535	5.7
164.04811	2.6
165.05556	13.6
165.09172	1.0
167.03485	16.1
179.05615	1.3
291.43845	0.9
311.07733	16.5
312.07962	1.2
339.10410	0.9
345.15524	16.8
346.15927	1.8
371.09305	1.0
383.68228	0.9
391.23404	2.4
397.67953	0.9
417.17001	1.1
417.25101	8.4
433.24753	1.2
444.41846	1.0
477.13882	11.9
477.19916	6.7
478.14249	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	477.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	27.7
61.98808	52.7
71.53583	25.7
136.30252	22.7
171.10286	100.0
209.11896	45.8
249.14809	50.8
285.11591	30.9
302.40268	21.4
315.16025	55.8
349.15164	21.0
459.27271	34.2
477.28421	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2128
Annotation	Divaricin B
Peak:m/z	Relative Intensity
54.49913	0.3
57.03448	0.4
59.01112	0.4
59.01381	6.8
61.98833	2.8
67.28746	0.3
68.05455	0.3
69.24935	2.9
71.01370	2.2
72.24161	0.3
73.02940	0.5
75.00875	0.5
85.02947	1.2
87.00848	0.5
88.35803	0.4
89.02435	0.6
96.95981	0.4
101.02439	1.3
108.02179	0.4
113.02413	0.7
118.98104	0.4
119.05066	0.5
121.02847	0.4
130.04210	0.4
134.03751	0.6
145.02948	4.8
146.03505	0.5
152.99551	0.4
161.02492	0.4
161.04619	0.5
163.04024	0.9
173.02400	2.0
174.03215	13.7
178.02733	1.1
188.09940	0.3
193.05028	1.0
206.02211	9.0
206.61429	0.4
213.05482	1.6
214.06190	0.5
271.02390	0.5
285.04257	0.4
297.14944	1.2
300.02872	0.7
314.04553	0.5
315.05099	0.7
315.16006	15.0
316.16318	1.2
357.17184	1.0
396.51904	0.3
477.21271	100.0
478.21643	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	477.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93429	0.6
61.98827	1.6
65.96011	0.6
69.03461	0.9
91.05505	0.8
93.03460	7.9
107.05030	0.8
109.02924	0.8
119.05057	0.7
121.02956	65.7
122.03787	1.4
123.04513	2.0
125.88524	0.6
135.04520	9.8
136.01649	1.0
137.02431	1.6
144.11223	0.5
146.03734	0.6
147.04530	2.4
149.02420	0.7
154.02788	0.7
159.04436	0.9
159.38077	0.6
163.04007	5.5
164.04745	1.3
168.92889	0.5
175.04018	0.8
176.04781	5.9
190.15573	0.6
292.02597	0.6
307.61923	0.6
311.09378	1.0
339.06436	0.7
340.09497	100.0
341.10184	34.6
342.10577	2.4
381.88080	0.7
397.37363	0.5
436.57104	0.7
477.09964	1.2
477.22507	0.7
477.35876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
56.04684	0.9
57.03432	3.6
58.00573	2.7
59.01382	76.8
61.98831	7.3
65.23749	0.8
69.03446	2.3
71.01382	59.4
72.01674	1.0
72.99274	2.6
73.02949	12.8
75.00848	0.9
82.68303	0.7
83.01384	5.4
85.02460	1.3
85.02953	23.7
85.53733	0.8
87.00874	3.0
87.04496	0.8
88.98796	3.4
89.02449	30.9
93.03449	1.0
95.01382	4.0
97.02966	1.0
99.00874	6.2
101.02446	35.8
108.02163	1.7
109.02949	0.9
113.01735	1.6
113.02458	24.1
119.03500	12.6
119.04936	1.4
121.10246	12.6
122.10559	1.0
123.04484	2.3
125.02409	1.5
129.01918	1.5
131.03468	2.2
133.02953	1.0
135.04527	1.7
139.07668	6.3
139.11244	1.4
143.03438	1.4
145.29124	0.8
149.04527	2.5
152.01134	1.6
153.02029	1.2
159.02982	2.0
161.02396	2.1
161.04575	12.0
163.03941	2.0
165.05675	0.9
165.09132	2.4
167.03465	1.1
167.07086	3.8
167.10739	2.2
173.04477	1.5
179.05582	3.0
183.10234	9.2
186.14914	0.9
191.01871	1.4
197.11804	2.8
225.11305	4.8
232.07994	0.8
245.01796	0.9
287.01923	1.1
287.15915	0.9
297.17886	1.0
301.16522	2.2
315.04684	1.2
315.19214	2.9
345.15521	100.0
346.15991	5.3
361.14874	1.4
433.20789	1.7
477.10205	3.2
477.19669	99.4
478.20117	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	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
57.03443	2.8
58.00581	1.4
59.01382	46.2
61.88083	0.6
61.98829	2.8
62.60026	0.6
69.03463	3.4
69.29967	6.5
71.01382	40.7
71.04995	0.8
72.88959	0.6
72.99319	2.4
73.02947	10.3
75.00867	1.4
83.01385	4.2
85.02951	15.9
87.00867	1.5
89.02444	22.7
91.14665	0.7
95.01407	3.3
97.02946	0.9
99.00846	3.7
101.02444	24.0
108.02174	15.4
109.02961	8.6
113.02459	16.7
119.03511	8.2
121.10246	9.6
123.04523	0.9
125.02401	1.6
131.03510	4.3
133.02959	7.1
135.04544	3.2
143.03510	1.2
149.04567	1.7
151.12366	0.8
152.01151	24.0
153.01956	8.6
159.02954	1.8
161.02463	21.7
161.04501	7.5
165.01843	0.9
165.09235	2.0
167.03548	0.8
167.10759	3.1
169.45955	0.7
179.03477	2.5
179.05641	0.8
183.10294	2.2
193.08766	1.9
293.08771	2.8
301.16589	1.5
305.64410	0.7
307.69376	0.8
315.03818	1.3
315.07236	15.7
316.07477	1.4
345.15536	52.0
346.15906	3.5
383.81726	0.7
433.11554	1.5
477.10385	43.1
477.19739	100.0
478.10687	4.9
478.20157	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	477.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15005	0.6
55.01885	2.3
57.03454	2.9
58.00594	2.3
59.01382	80.8
60.99317	0.9
61.42304	0.7
61.98837	5.0
69.03465	2.0
71.01385	51.0
71.23262	1.4
72.99320	1.8
73.02950	11.8
75.00860	1.4
82.82583	0.7
83.01370	4.3
85.02953	19.8
85.03473	1.2
87.00892	2.5
89.02447	29.3
90.02825	0.8
95.01405	3.9
96.96038	2.1
97.03014	0.9
99.00900	3.8
101.02444	31.5
101.91713	0.6
106.40310	0.7
109.02950	0.8
111.00857	0.8
113.02455	21.5
119.03507	9.5
121.10229	9.5
123.04539	2.1
123.83935	0.8
125.02493	1.0
129.01920	1.5
131.03537	4.4
132.73726	0.7
135.04549	2.0
137.02484	1.2
139.07655	1.7
143.03497	1.6
149.04578	1.2
159.02977	1.9
161.04555	11.9
161.75772	0.7
165.05634	0.9
165.09206	2.6
167.03471	1.3
167.07124	1.1
167.10733	0.7
179.05669	1.6
183.10240	5.5
190.33817	0.7
191.01970	0.8
191.05663	2.2
193.04993	0.9
225.11438	0.7
241.07341	1.2
242.08217	0.9
293.08664	0.9
345.15536	100.0
346.15924	5.7
361.15067	0.8
377.14627	1.8
391.07098	0.9
417.24957	4.0
427.12247	0.8
477.19745	58.6
478.20398	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	477.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
57.03441	7.0
58.00584	2.4
58.62738	1.3
59.01382	54.4
59.28667	1.2
60.99318	2.2
61.98538	2.0
61.98833	23.4
69.03458	2.7
69.59508	2.2
69.59810	8.7
71.01383	69.8
72.99310	11.0
73.02947	19.1
75.00864	1.7
83.01382	7.2
85.02953	31.8
87.00888	2.3
88.98811	8.4
89.01930	2.8
89.02451	30.9
89.03001	1.5
91.00372	2.0
93.03458	1.7
95.01411	5.2
96.95386	2.2
96.96014	40.4
98.95608	3.0
99.00903	6.9
101.02448	40.4
111.00873	2.0
113.02448	28.4
119.03529	11.5
119.05022	4.2
120.05354	1.8
121.10210	3.1
123.04556	2.0
125.02412	2.0
129.01904	2.0
131.03476	5.5
143.03551	2.7
149.04572	3.9
149.83667	1.4
152.25948	1.4
159.03020	2.4
161.04573	16.2
165.09174	6.8
167.03488	3.7
179.05609	3.9
183.10283	2.9
191.01962	2.3
256.03809	2.6
271.06097	3.7
294.79895	1.2
301.16528	6.1
315.08740	6.3
335.59631	1.4
339.23367	1.4
345.15533	71.0
346.15878	5.1
421.99551	1.5
446.48514	1.4
475.34262	1.7
477.12564	35.1
477.19724	100.0
478.12265	5.9
478.20093	8.7
478.26703	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	477.1402
Annotation	Nyasicoside
Peak:m/z	Relative Intensity
55.01850	1.0
57.03436	1.7
57.48790	1.0
59.01381	65.7
61.49615	1.0
61.98832	16.4
66.91278	0.9
68.99811	1.1
69.17262	11.1
71.01379	15.5
73.02955	6.1
79.95737	1.6
83.01380	2.4
85.02953	11.4
87.00864	1.3
87.04526	1.2
89.02438	3.9
91.01941	1.1
93.03455	3.8
95.01349	2.1
96.96010	1.9
98.56036	1.3
99.00851	2.0
101.02449	10.4
108.02181	27.9
109.02957	24.7
110.94518	1.0
113.02439	4.1
117.03447	2.6
119.01395	6.6
119.03495	1.3
121.02931	2.6
121.06574	2.3
123.00859	2.1
123.04520	3.9
125.02402	1.8
129.01930	1.6
133.02965	2.8
134.03754	2.0
135.04495	3.0
137.02454	2.0
137.09689	3.2
145.02975	8.5
147.00858	4.5
149.02425	13.9
149.99536	1.7
150.03110	1.4
151.00366	3.3
151.04022	1.8
152.01143	8.5
153.01942	6.0
155.10776	8.8
161.02417	2.2
161.04514	2.9
163.03952	3.5
164.04764	9.0
165.01863	2.0
165.05524	8.4
167.03496	8.2
175.00366	38.0
176.01068	6.7
179.07082	2.2
182.24493	1.2
183.10344	1.7
190.02719	89.7
191.01999	1.5
191.03479	18.3
194.02194	1.4
195.03050	2.7
195.04938	1.3
199.03891	1.9
199.09761	4.9
205.05051	94.3
206.05432	3.3
208.03792	1.6
209.04478	4.0
215.03494	2.0
223.06073	11.4
227.03487	1.1
242.02139	1.6
243.02997	8.4
255.02908	3.0
257.04498	2.2
270.01639	1.4
270.99734	1.6
271.02484	20.8
271.86172	1.1
272.02777	1.4
281.06607	1.8
285.03998	3.4
297.06232	1.8
299.01947	28.9
300.02713	11.4
301.03204	1.7
307.08188	1.3
311.07703	8.6
314.04288	16.5
315.05066	11.4
315.08530	2.4
315.14514	2.4
327.08517	1.6
331.17404	1.6
337.09290	1.4
353.08646	3.4
367.10349	20.8
433.21347	3.9
462.11737	2.1
477.13760	100.0
478.15350	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	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
59.01376	5.1
61.98831	2.0
69.03468	0.6
70.69264	0.9
70.69633	0.7
71.01384	3.0
73.02940	1.3
81.03474	0.5
83.01380	0.5
85.02959	2.7
88.98796	2.5
89.02444	1.5
93.03454	0.9
95.01382	1.1
96.96019	1.1
99.00866	0.7
101.02452	2.4
101.84895	0.3
105.03472	0.6
107.01431	0.5
108.02175	39.8
109.02959	17.1
110.03320	0.5
111.90175	0.3
113.02419	2.4
115.78777	0.3
117.03452	0.8
119.03480	0.6
121.02963	1.0
123.00934	0.5
123.04482	1.0
130.20120	0.5
132.02187	0.9
133.02957	19.4
134.03191	0.6
135.00885	1.6
135.04530	6.8
151.04047	0.6
152.01151	55.6
153.01945	16.9
161.02437	47.6
162.02817	1.6
163.04002	1.4
165.01924	1.1
167.03494	1.6
177.05614	0.5
179.03500	4.1
183.10214	0.7
187.00266	0.6
187.80374	0.4
225.04001	0.5
293.08624	0.5
315.07208	36.1
316.07532	1.7
323.07813	1.4
345.15634	1.9
355.42859	0.4
433.11319	3.4
477.10364	100.0
477.20856	2.6
478.10675	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	477.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67970	1.0
57.03421	1.1
59.01382	6.3
61.98828	8.7
64.49329	1.0
69.82497	2.6
69.82905	3.1
71.01371	5.1
74.99087	1.0
75.00882	1.3
78.95898	2.1
81.03464	3.5
83.01382	9.5
83.70577	1.3
85.02945	2.7
85.90558	0.9
87.00890	1.5
88.98795	3.7
89.02431	2.1
93.03468	2.3
93.86383	1.0
95.01381	2.1
95.05025	2.6
96.96024	5.5
96.96960	2.0
97.02946	2.9
98.20663	1.0
99.00861	4.4
99.74572	0.9
101.02411	2.3
107.05034	2.2
107.62772	1.0
109.02948	4.4
109.24036	0.9
111.00907	1.0
111.04533	1.4
113.02452	2.3
115.72596	1.0
119.03387	1.0
119.04984	1.1
121.02930	1.4
123.04525	6.6
125.02449	5.8
135.04532	6.3
137.02448	6.6
137.06088	4.1
139.04037	7.3
141.00154	2.6
149.02411	1.5
149.06053	4.5
151.04060	5.1
153.01971	5.6
153.05611	6.8
155.03613	1.4
159.04521	1.3
159.89536	1.1
163.03987	3.6
165.01952	2.3
165.05624	1.8
167.03503	18.0
175.03918	1.6
177.01981	2.0
177.05544	6.9
179.03481	11.1
181.05014	4.7
181.06430	1.1
187.04041	1.4
189.05542	1.5
191.03508	4.2
192.04234	1.3
193.05046	12.6
195.03020	2.8
197.04544	2.3
203.03476	2.2
205.01401	2.9
205.05067	4.7
206.02174	7.0
207.02954	11.0
207.06497	1.2
209.04567	14.0
210.05051	1.2
217.04880	1.2
218.02136	1.5
219.02998	7.8
220.03680	1.9
221.04552	33.1
222.04910	1.8
223.06001	1.7
225.04007	3.5
233.04549	4.5
235.02293	1.2
235.06056	2.9
237.04063	13.2
239.05669	7.6
243.07060	1.5
246.04880	1.0
248.03177	2.1
249.04039	64.6
250.04338	3.2
251.05585	12.0
261.04163	6.0
263.05435	2.5
267.05087	52.5
268.05380	1.8
277.06207	2.6
279.05072	34.7
280.05435	1.8
281.06519	2.0
291.04980	3.6
297.06165	20.4
301.72992	1.1
307.07278	1.1
309.06082	3.5
327.07019	1.6
339.07162	5.2
351.07373	2.6
357.08261	30.0
358.09055	4.0
369.08270	11.7
387.09332	45.3
388.09753	3.3
459.11508	7.9
477.12457	100.0
478.13007	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	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01157	1.8
59.01381	23.4
61.98830	14.0
69.03458	4.3
69.50501	4.9
69.50912	9.3
71.01383	9.1
85.02946	11.7
89.02437	2.8
93.03430	3.0
98.20683	4.0
101.02441	4.3
109.02959	2.7
110.00062	6.0
113.02431	4.9
119.05016	5.8
123.00967	2.5
123.04471	3.1
129.01909	3.8
133.02997	4.0
133.06601	3.7
135.04494	5.7
136.98767	2.8
137.02402	5.0
137.99585	3.9
139.00342	7.5
139.11285	4.5
145.02995	3.8
161.02396	2.9
163.03969	3.2
164.98302	5.9
165.99069	18.4
166.99841	6.2
173.04587	2.5
179.03482	5.8
181.08687	2.1
183.04507	3.6
183.10274	19.7
185.31754	2.1
189.79376	2.1
215.03491	2.7
243.02811	2.5
251.14491	2.5
253.15971	6.5
271.02472	5.6
293.06674	4.3
297.14847	6.6
299.01978	19.0
300.02768	36.7
301.03003	3.1
314.04321	33.9
315.05072	100.0
315.14334	10.3
316.05310	4.8
392.99393	2.1
417.24982	3.3
476.25418	3.7
477.10382	91.1
477.26175	10.2
478.10672	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	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56247	0.3
57.03470	0.8
57.22422	0.3
58.00606	0.3
59.01382	5.0
59.03927	0.3
61.98838	2.2
65.00342	1.5
66.60830	0.4
67.98566	0.4
69.03452	0.3
69.60630	0.9
69.61041	1.5
71.01389	2.0
73.02969	0.9
82.34316	0.3
83.01413	0.8
85.02943	2.2
86.03311	0.4
89.02446	2.0
91.33242	0.3
93.03437	0.4
100.46449	0.4
100.65275	0.3
101.02420	1.9
107.01458	1.2
110.00108	2.0
113.02483	1.1
116.92884	0.4
117.03493	1.1
119.03514	0.4
121.02998	0.4
123.04513	2.2
123.09132	0.4
125.02437	1.8
133.02956	4.8
135.04576	1.2
137.99585	0.8
143.05069	1.8
145.02943	3.2
151.00386	3.7
153.01913	0.4
155.05008	2.7
157.01866	0.5
157.02937	2.3
159.04485	0.5
161.02435	8.0
164.98267	2.7
165.99072	5.8
168.00632	0.4
169.01442	1.0
171.04509	4.9
173.02472	1.4
175.04089	0.5
175.99687	0.4
177.99127	0.8
178.99928	0.5
179.03453	0.5
181.01463	0.5
183.04532	3.1
187.04047	1.4
189.05527	0.6
191.03564	0.9
198.03136	0.5
199.04030	7.2
201.01964	0.9
215.03494	11.4
216.04025	0.7
227.03481	4.5
229.01445	0.4
229.04956	1.8
231.02890	0.5
235.02473	0.5
242.02133	0.6
243.03001	6.7
255.02979	10.2
271.02472	57.6
272.02988	5.3
284.02844	0.4
285.50690	0.4
299.01956	100.0
300.02618	19.9
301.03140	0.9
313.03226	0.6
314.04309	35.0
315.04993	12.0
316.05405	0.8
345.15634	2.3
354.08633	0.7
462.08014	5.1
477.10266	91.4
478.10657	9.1
478.20697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11055	0.3
59.01370	1.0
61.98841	0.6
63.02407	0.3
69.24138	0.6
69.24543	2.4
107.01419	0.3
108.76249	0.3
125.02423	0.5
138.53081	0.3
151.00383	3.1
153.02037	0.4
165.02162	0.4
171.04478	0.7
175.03992	0.4
183.04556	0.4
187.04109	0.5
189.01888	0.4
199.03989	3.3
201.01881	1.1
204.04279	0.4
215.03439	3.3
225.01907	0.5
226.02759	0.8
227.03514	2.7
229.01427	0.5
242.02171	7.1
243.02965	38.8
244.03317	1.9
255.02927	0.9
257.04538	10.8
258.04892	0.4
268.24344	0.4
270.01678	10.4
270.04626	0.6
271.02460	37.1
272.02841	2.3
285.01480	0.3
285.04028	22.3
286.04745	7.6
299.01999	8.7
300.02756	6.1
314.04306	48.7
315.04999	10.4
316.05356	0.5
357.06104	0.9
449.10767	0.3
477.10342	100.0
478.10703	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	477.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82876	0.3
56.13062	0.4
56.52975	0.4
59.01386	2.5
61.98825	1.5
65.00327	1.0
69.18013	1.9
69.18433	1.6
71.01366	1.2
85.02972	1.0
88.99264	0.4
89.02435	0.6
91.48317	0.4
95.01400	0.8
96.99306	0.5
101.02401	0.6
109.02945	0.4
110.00095	7.4
111.00897	0.4
122.02467	0.4
123.00847	0.8
123.04506	1.5
125.99564	0.7
129.01944	0.4
129.29988	0.4
132.93634	0.4
133.02948	2.5
136.15491	0.4
136.98817	2.9
137.79546	0.3
137.99588	5.5
139.00381	5.4
145.02916	1.0
159.04472	0.5
164.98282	7.0
165.99072	18.7
166.99847	7.1
169.01404	0.4
171.04472	0.7
173.02423	0.4
177.99101	0.7
178.99886	0.7
183.04491	2.7
192.00594	0.7
193.98532	1.7
199.03996	1.4
200.04880	0.5
201.01974	0.5
205.98528	0.7
211.04103	0.3
215.03561	1.7
216.04237	0.8
227.03468	3.5
228.04257	1.5
229.01318	1.1
230.05771	0.4
239.03586	0.5
243.03043	2.4
254.02177	0.5
255.02968	3.2
256.03668	0.9
268.03827	0.6
270.01721	0.5
271.02460	5.8
272.02844	0.5
285.04102	0.6
299.01956	21.8
300.02725	32.9
301.03052	2.3
314.04318	31.3
315.05084	100.0
316.05438	5.9
327.05063	0.7
331.04547	0.5
332.69586	0.4
417.24686	0.5
477.10358	79.8
478.10611	7.2
499.85538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2782
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
59.01366	0.5
61.98821	0.2
71.31126	0.2
78.95909	4.9
83.05044	0.2
122.00132	0.2
134.89032	0.1
140.01198	1.8
151.39749	0.1
152.99580	0.4
159.30371	0.1
196.03767	1.0
214.04851	2.3
220.49953	0.1
261.22229	0.3
279.23282	100.0
280.23630	6.0
476.27814	12.2
477.28177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
61.98820	0.7
62.96387	0.2
69.30494	1.9
78.95902	44.1
80.56482	0.2
91.02946	0.2
96.96970	2.2
120.99319	0.3
122.00120	0.9
140.01178	5.4
148.27316	0.2
152.98369	0.5
152.99576	6.8
154.13440	0.3
166.02690	0.3
171.00647	4.9
171.02112	0.3
196.03786	9.7
214.04863	2.5
261.22144	0.3
279.23267	100.0
280.23624	6.3
330.43323	0.2
402.24313	0.5
476.27783	49.9
477.28085	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	476.2782
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
50.26403	0.3
62.96393	0.2
70.19398	0.9
78.95907	100.0
96.96965	8.6
122.00072	0.3
140.01143	0.5
150.98035	0.4
152.99585	17.8
164.73480	0.3
171.00641	20.1
192.67531	0.3
196.89763	0.3
203.95229	0.3
214.04965	0.4
345.97516	0.3
363.87634	0.3
364.24353	0.3
402.24161	1.5
403.24615	0.3
405.71948	0.3
476.27820	64.3
477.28070	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	477.0679
Annotation	Herbacetin 8-glucuronide
Peak:m/z	Relative Intensity
55.01881	0.5
55.56791	0.5
57.03438	2.0
58.00595	1.6
59.01384	34.3
59.48537	0.5
60.01714	0.9
61.98834	20.1
63.02403	1.4
65.00335	3.7
69.03458	1.1
69.79480	2.5
71.01387	21.3
71.05023	0.8
72.99309	1.8
73.02952	3.4
73.41218	0.5
75.00866	1.2
75.05025	0.4
81.03452	0.6
83.01381	4.4
85.02953	9.5
87.00880	1.4
88.98800	2.2
89.02448	15.3
91.01910	0.6
93.03453	1.7
95.01388	2.6
96.95992	1.1
99.00871	1.9
101.02451	12.4
103.00392	0.6
107.01396	7.8
108.02177	8.0
109.02968	7.3
109.06581	0.6
111.00896	0.8
111.04557	0.4
113.02454	9.8
117.55975	0.4
119.01447	0.5
119.03515	6.5
119.05023	0.6
119.42285	0.5
121.02960	6.8
121.10244	1.4
123.04488	1.4
123.08163	0.5
125.02475	1.1
131.03532	1.4
133.02971	3.3
134.03641	0.5
135.00862	1.0
135.04518	2.1
135.20706	0.5
137.02377	0.6
139.04057	0.7
139.11304	1.0
141.09282	0.5
143.03479	0.8
149.02431	1.1
149.04535	1.0
151.00377	29.1
151.03938	0.7
151.07738	0.5
152.01166	10.2
153.01939	4.3
159.04478	0.9
161.02463	10.1
161.04559	2.1
162.02888	0.7
163.00339	3.8
163.03993	0.7
165.01945	0.5
165.05621	1.0
165.09177	3.8
166.09561	3.0
167.03500	1.7
169.01500	0.6
173.04553	0.7
175.02527	1.2
175.03949	0.7
177.05544	0.6
178.99873	12.3
179.03494	1.5
179.05608	1.6
179.07001	0.6
180.00288	0.5
183.04491	0.7
183.10298	5.1
185.06213	0.6
187.03972	0.9
190.99892	0.5
191.01921	0.9
191.05556	0.6
193.01283	0.7
193.08702	1.1
201.05620	1.5
203.03609	0.6
203.05592	0.8
211.04004	2.2
215.03539	0.6
227.03514	1.4
229.05016	1.8
239.03352	0.6
243.02948	0.7
244.68216	0.5
245.04507	3.9
255.03024	4.4
256.03625	0.7
257.04709	0.6
262.72195	0.5
271.02399	1.2
273.04065	2.2
283.02551	2.2
284.02927	0.6
293.08823	4.0
300.02808	0.6
301.03537	100.0
302.03873	5.5
315.07224	5.5
345.15540	30.4
346.15985	1.3
414.14996	0.6
417.24890	0.8
433.11563	0.7
477.06305	9.0
477.10693	11.7
477.19846	21.8
478.11230	0.6
478.20114	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34624	2.0
59.01371	8.4
61.98829	36.2
69.94839	8.5
70.62550	2.1
74.31447	1.9
78.95905	100.0
79.85936	1.8
87.04517	3.5
91.67770	1.9
96.96965	7.1
108.34315	1.7
113.06158	1.9
116.92910	2.2
149.02470	2.0
150.06885	4.6
152.99599	17.9
163.07642	36.1
171.00664	23.8
209.04652	2.1
245.70996	2.1
277.21667	8.7
279.23151	2.7
283.02014	2.1
284.03354	2.2
299.05823	2.3
471.65958	2.4
475.34305	37.3
476.27856	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.02152	0.3
57.03440	1.3
58.00597	1.0
59.01378	100.0
60.01715	0.8
61.98829	3.7
67.51257	0.2
69.03452	0.7
71.01380	27.0
72.99307	0.9
73.02946	8.9
75.00845	0.4
83.01395	3.2
85.02946	10.9
87.00886	2.1
87.04519	2.4
89.02443	16.9
95.01386	4.0
97.02960	0.6
99.00878	1.8
101.02441	15.3
102.74980	0.3
112.01660	0.3
113.02448	29.0
113.06049	0.5
114.02783	0.5
119.03497	6.9
119.04939	0.3
125.02452	0.8
129.02014	0.3
131.03522	1.0
143.03500	2.2
147.11835	0.4
149.04597	0.8
151.07607	0.3
159.02985	0.5
161.04544	7.9
162.04936	0.4
168.75175	0.3
179.05585	4.1
181.01424	0.8
191.05716	0.4
194.68376	0.3
196.03822	0.7
211.06084	1.3
271.19128	1.4
335.84048	0.3
404.13223	0.3
415.23346	23.0
416.23578	2.2
433.24399	5.2
433.29858	0.3
434.24799	0.4
475.26453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
57.03446	1.6
58.00595	1.7
59.01380	100.0
60.01715	0.9
61.98832	2.6
69.03471	0.5
69.28625	2.8
71.01382	29.8
71.05037	0.4
72.99300	2.0
73.02951	5.5
75.00879	0.8
79.05551	0.4
81.03481	0.7
83.01395	3.1
85.02952	10.6
87.00861	2.6
87.04538	1.3
89.02445	29.6
93.03472	0.8
95.01398	1.9
97.02998	0.8
99.00890	2.7
101.02446	19.4
101.06095	2.5
102.02792	0.4
105.03465	1.2
107.05051	1.5
111.00898	0.9
113.02448	19.5
117.03467	3.5
117.77888	0.3
119.03513	14.4
119.04948	2.7
123.04530	4.9
125.02497	1.4
127.07648	1.1
128.00093	0.4
129.01987	1.2
131.02692	0.4
131.03496	2.1
135.04549	0.6
137.02460	0.4
137.06104	0.8
139.11247	0.5
143.03494	3.9
145.02953	11.3
146.03284	0.4
147.11847	0.6
149.02441	4.7
149.04462	1.6
155.07169	0.7
159.02948	0.5
161.02457	1.2
161.04546	8.6
162.05652	1.6
163.04053	1.5
163.05995	1.3
166.99867	0.8
167.03514	3.2
168.00659	0.6
177.43272	0.3
178.04825	0.5
179.03833	0.6
179.05614	10.8
179.07191	0.6
183.03116	0.4
183.10289	1.3
191.02029	0.4
197.11891	0.7
209.04582	0.6
217.05106	0.3
225.11395	1.4
227.07231	1.0
253.17990	0.4
270.02158	0.3
271.06274	0.6
271.19226	0.9
297.15115	0.4
307.08383	1.1
312.12506	1.3
313.12717	3.8
315.18320	0.8
355.21335	3.1
367.21313	0.9
379.21130	0.5
386.93350	0.3
397.22311	1.7
415.23343	11.1
415.28546	0.6
416.23740	1.1
431.13693	1.1
433.24356	6.1
468.35428	0.4
475.12579	12.4
475.21832	4.7
476.13022	1.2
476.22141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03430	0.9
59.01377	100.0
60.01728	0.7
61.98835	1.7
71.01383	9.9
71.55026	0.5
73.02946	3.1
83.01389	1.1
85.02954	3.7
87.00862	0.8
87.51797	0.4
88.98816	0.9
89.02449	6.9
93.03478	1.3
94.76691	0.5
95.01397	0.5
99.00906	0.5
101.02441	6.7
113.02448	5.8
119.03474	2.8
119.04990	1.0
125.02436	0.5
135.98352	0.5
137.02386	1.0
143.03537	1.2
143.65720	0.4
155.10875	0.4
159.60982	0.4
160.01741	0.5
161.04546	3.5
163.03963	1.0
167.03476	0.9
173.04535	0.9
179.05653	2.0
179.47574	0.5
206.16048	0.6
208.61194	0.5
255.90392	0.5
318.85165	0.5
337.09616	0.6
389.21964	1.3
415.23535	5.8
416.24252	0.7
431.23099	0.7
475.24222	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75727	3.4
53.55012	3.3
58.41174	4.1
59.01380	10.5
63.06461	3.6
70.12814	15.4
71.01377	15.9
78.95935	3.2
84.52506	3.7
85.29776	3.3
96.69542	4.0
98.20626	6.6
101.02446	4.6
103.90188	3.8
158.86115	3.8
201.28723	3.1
209.13126	4.9
277.21716	100.0
278.21991	7.9
301.21771	3.9
319.22836	11.4
349.23615	4.5
367.27011	3.9
418.31458	4.1
475.24585	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	475.197
Annotation	Toonaciliatin G
Peak:m/z	Relative Intensity
50.03325	0.3
57.03431	0.4
58.00579	0.6
59.01379	9.2
61.98821	0.3
69.25147	2.3
71.01379	5.1
72.25230	0.2
72.99313	0.4
73.02946	0.3
83.01379	0.5
85.02968	1.4
89.02443	2.8
95.01376	0.5
101.02443	3.1
113.02438	1.1
119.03497	0.6
121.02906	0.3
125.02343	0.3
134.03679	0.3
135.73381	0.3
145.02942	2.6
159.60365	0.3
161.02286	0.3
167.03572	0.3
170.56413	0.3
173.02397	1.2
174.03220	13.1
175.03668	0.3
178.02710	0.4
179.03474	0.4
183.08083	0.3
206.02205	8.8
207.02635	0.3
209.04582	0.4
213.05563	1.4
214.06201	0.4
216.80324	0.3
227.07079	1.3
228.07968	0.9
241.08627	0.3
253.18105	0.3
271.19223	0.5
295.13385	4.3
296.13766	0.3
297.14957	23.7
298.15274	1.8
313.14438	4.1
318.64221	0.3
433.24286	0.6
475.19702	100.0
475.24844	3.8
476.20068	9.4
476.25168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
57.03447	4.0
59.01383	50.9
60.01717	1.2
60.03300	1.0
60.99311	5.4
61.98847	7.7
63.02526	1.2
69.94031	3.3
71.01385	43.3
71.01781	2.3
72.99315	1.6
73.02951	21.4
83.01386	11.9
83.71935	0.9
85.02951	29.9
87.00893	2.1
88.98811	31.1
89.02448	10.0
95.01407	3.0
96.95998	6.8
97.02953	2.4
99.00909	6.4
99.04541	1.0
101.02447	39.5
103.04002	3.2
111.00890	1.0
113.02452	17.2
119.03503	3.5
119.04956	1.3
123.04525	1.7
125.02466	4.4
127.04114	1.5
129.01947	2.4
135.04483	1.3
143.03482	2.4
145.03018	1.2
147.03020	2.1
151.54501	1.0
158.31262	1.1
158.47061	1.0
159.02959	4.7
161.04559	21.2
163.06119	2.1
167.03484	7.1
185.90172	0.9
191.01997	4.3
193.01619	1.0
209.04538	1.9
247.08224	2.4
249.03989	1.4
269.10324	52.0
270.10675	3.2
283.03561	2.2
307.10315	1.3
313.05646	2.4
355.06705	1.9
377.89240	1.0
415.16095	100.0
416.16464	8.3
475.09717	2.0
476.12277	5.9
476.24911	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.4
57.03439	2.5
58.00579	2.7
59.01381	100.0
61.98833	13.0
65.73919	1.9
69.55077	14.2
71.01377	45.9
72.99310	3.0
73.02943	21.4
75.13860	2.1
75.47764	2.0
83.01402	3.1
85.02521	2.1
85.02927	11.2
87.00871	3.3
88.98824	6.3
89.02448	39.3
95.01358	2.9
99.00880	8.8
101.02451	30.8
112.41010	2.1
113.02444	19.6
119.03502	7.7
125.02433	4.2
131.03506	5.3
134.06126	8.3
143.03485	3.0
146.46150	2.0
148.04036	9.6
149.04556	21.7
160.04042	4.9
161.04594	10.2
179.05687	2.5
179.07118	5.4
191.05579	8.0
206.41957	2.3
267.11343	4.3
269.04620	4.2
283.11774	11.7
295.10852	17.8
381.55429	2.1
415.16074	58.3
415.22632	4.1
416.16367	2.8
475.16757	45.5
475.21896	6.9
476.17264	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	36.0
61.98801	0.5
62.56503	0.4
69.35003	1.2
69.35427	1.9
71.01379	1.9
73.02955	0.5
78.64893	0.4
85.02911	0.8
89.02435	1.4
101.02428	1.6
109.04679	0.4
113.02480	0.6
119.03511	0.6
119.43509	0.4
123.21839	0.4
135.04507	1.1
145.02954	1.1
146.03735	33.2
147.04140	1.0
149.24434	0.4
161.04575	1.7
161.06061	11.1
161.07410	0.6
163.03983	1.1
164.04797	22.1
165.05191	0.4
167.03497	1.9
179.07135	100.0
180.07498	3.8
184.21678	0.4
191.05672	0.5
249.68398	0.4
390.23114	0.4
415.16086	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27580	0.2
57.03432	0.8
59.01377	3.7
59.24769	0.1
59.42371	0.2
61.98828	0.8
65.00316	0.5
70.03770	0.2
71.01385	0.7
73.02962	0.1
81.03456	3.6
83.01382	2.4
83.77238	0.1
88.98792	0.2
89.02440	0.6
95.01393	0.2
95.05012	0.9
97.02934	0.2
98.19923	0.3
99.04509	0.3
101.02467	0.4
107.01397	0.6
123.04522	28.5
124.04851	0.6
125.02444	5.5
125.03338	0.4
135.04497	1.0
137.05072	0.2
146.03752	1.7
149.02431	0.6
149.04536	0.4
151.00343	1.8
161.02319	0.2
161.06070	0.6
163.04024	0.4
164.04813	1.2
167.03487	100.0
168.03836	2.9
179.03499	0.6
179.07117	5.8
180.03882	0.3
191.03513	0.6
192.83972	0.2
195.06625	0.2
209.04530	0.9
225.22081	0.2
291.89401	0.2
343.09338	0.3
379.71698	0.2
432.18927	0.2
433.13837	0.2
441.70709	0.2
467.66077	0.2
475.14539	15.4
476.14877	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39170	1.3
51.26405	1.1
53.78837	1.3
55.18021	1.3
57.03436	1.5
58.00595	2.8
59.01377	100.0
60.01715	1.2
61.37023	1.4
61.98830	17.2
69.65833	7.1
71.01379	51.5
72.99309	5.0
73.02962	2.1
74.02473	1.7
75.00896	1.2
85.02945	9.6
87.00868	4.2
89.02442	73.7
90.02773	1.8
95.01374	3.3
95.36052	1.4
96.95997	4.3
98.20569	2.3
99.00880	1.7
101.02441	30.1
103.62371	1.4
113.02448	20.9
116.92819	1.7
119.03503	27.2
119.04997	1.9
125.02486	2.0
131.03473	4.6
135.04530	4.5
143.03514	8.4
146.03725	8.5
149.04570	6.0
159.04466	2.1
161.04561	12.9
161.06006	3.0
164.04738	2.3
167.03473	7.1
175.04021	2.9
179.05597	50.9
179.07127	18.8
190.06349	32.2
195.87479	1.4
205.08675	66.7
206.08928	3.6
253.10803	3.4
322.07227	1.5
355.08044	2.3
385.10330	2.3
385.14850	8.3
415.15775	3.0
471.88077	1.4
475.14279	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	475.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11305	0.6
53.30928	0.7
56.13646	0.8
56.82456	0.7
56.84298	0.7
59.01415	0.9
59.73483	0.7
71.01385	13.1
72.99307	3.1
89.02451	3.4
96.63187	0.8
96.80782	0.7
107.93880	0.7
115.00368	40.0
132.94638	1.4
133.01428	100.0
134.01747	1.4
149.04553	1.8
191.22246	0.9
341.10889	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	5.5
61.98815	1.6
71.01381	17.9
71.53371	1.9
72.99290	4.1
87.00845	2.5
89.02459	8.6
101.02444	1.9
108.93721	7.0
115.00365	44.6
131.03537	2.3
132.94604	5.9
133.01425	100.0
133.05000	7.6
134.01778	1.9
149.04541	9.8
153.87392	1.6
207.92145	1.8
234.96881	2.0
235.71368	1.7
251.56931	1.7
259.78647	1.6
333.28568	1.8
341.10901	4.4
377.08356	4.5
415.03253	2.1
415.14362	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	475.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99560	0.2
57.03442	0.6
59.01376	4.5
60.99305	0.3
61.98841	1.4
65.00322	0.4
69.27065	1.1
69.27481	0.7
71.01376	0.9
73.02961	0.3
81.03455	3.8
83.01380	2.2
83.07037	0.2
85.02943	0.5
87.00886	0.2
88.98810	1.9
89.02444	0.9
89.08765	0.2
95.05002	0.6
97.02989	0.3
97.97803	0.2
101.02436	0.3
107.01402	0.5
119.05072	0.2
123.04525	28.2
124.04836	1.0
125.02446	5.3
135.04523	1.3
136.04849	0.4
139.03929	0.3
144.99101	0.3
146.03732	1.8
149.02432	0.6
149.04550	0.9
151.00322	1.5
151.14856	0.2
161.02518	0.2
161.06049	0.5
163.04005	0.5
164.04814	1.1
167.03490	100.0
168.03835	3.1
179.03484	0.8
179.07133	6.0
191.03461	0.6
191.05367	0.2
209.04555	0.7
247.64177	0.2
343.09186	0.5
475.14594	14.6
476.14999	1.3
498.43945	0.2
499.06567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.4
59.01378	19.3
61.98829	5.4
63.86355	0.6
70.58958	0.5
71.01372	7.1
71.55552	0.7
72.99317	1.2
73.02953	3.2
75.00861	0.8
81.03426	0.6
83.01385	2.7
84.02160	0.9
85.02950	33.8
86.03323	0.7
87.00880	1.6
88.98830	1.5
89.02457	1.7
93.03471	0.7
95.01361	1.0
101.02450	4.5
105.03454	0.7
106.35972	0.6
107.05022	11.0
109.02963	0.7
111.00882	2.1
113.02466	2.4
114.82776	0.7
117.03525	1.2
119.03513	1.0
121.02969	2.8
123.04501	1.8
125.02437	1.1
129.01956	8.1
129.05577	0.7
131.03557	0.8
132.02168	1.7
133.02954	36.8
134.03781	1.0
135.04529	14.7
137.02420	1.7
145.02957	1.5
147.02994	4.3
151.03996	1.6
161.02449	100.0
162.02783	3.6
163.03995	1.1
165.09209	1.7
167.03493	2.0
173.00945	1.3
175.04031	0.7
177.05612	1.5
178.02663	0.7
179.03506	9.1
183.10284	0.6
191.01976	13.0
212.57623	0.7
221.04527	2.1
227.07082	1.5
295.04526	1.6
309.11948	1.4
313.05640	11.6
314.05737	0.7
323.07672	9.0
333.31165	0.8
333.35803	0.7
415.23514	1.5
431.13434	28.9
432.13849	2.4
457.11328	7.5
462.91287	0.6
463.76144	0.6
475.12463	31.7
475.22195	5.6
476.12616	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03442	1.0
59.01378	10.6
61.98815	1.5
65.00324	0.7
67.01888	0.7
68.13478	0.4
68.99810	0.6
69.03449	0.7
70.62867	0.4
71.01376	2.4
73.02936	0.7
75.00887	0.6
78.22158	0.4
81.03454	7.5
83.01376	5.5
85.02946	3.0
89.02439	1.7
93.03444	1.4
93.64578	0.4
95.01374	0.8
95.05029	11.4
95.76424	0.4
96.96033	0.6
97.02937	3.0
99.04530	3.4
101.02431	1.5
104.35541	0.4
107.01332	0.5
108.02129	0.6
109.02949	0.8
109.06619	0.6
111.00907	0.4
111.04566	0.7
113.02470	1.4
119.03521	0.4
119.05025	1.9
121.02934	1.4
122.03737	2.1
123.00779	0.4
123.04523	14.6
124.04849	0.6
125.02448	15.1
129.01884	0.6
135.04492	1.4
137.02448	2.8
137.06085	12.0
137.11826	0.4
139.04030	2.6
141.05560	0.4
145.02975	0.6
147.04514	1.0
149.02444	1.1
149.06029	0.6
151.00397	0.6
151.03996	0.8
155.03433	0.9
161.04503	0.8
162.05585	1.9
163.00380	0.6
163.04010	1.3
163.05901	0.6
165.01840	0.9
165.05550	3.5
167.03493	41.5
168.03801	1.1
177.05527	0.6
179.03517	7.1
179.05309	0.5
179.05594	0.4
180.04210	0.4
181.05029	2.5
191.03465	1.6
193.05051	1.6
197.04541	1.5
205.03412	0.6
206.02135	0.5
207.03023	0.9
209.04544	100.0
210.04886	4.7
219.02930	0.7
221.04607	2.9
235.02541	0.5
239.05597	23.9
240.05937	0.6
251.05568	0.9
261.04193	0.5
271.06161	0.7
271.19168	0.7
285.07578	1.0
293.06665	1.1
312.12399	1.2
313.07205	2.0
313.12698	3.5
325.07150	0.5
355.08221	10.7
356.08575	0.9
385.09094	0.8
415.23465	1.4
433.24084	0.8
475.12350	11.9
475.19031	0.7
475.26254	1.9
476.12653	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.4
59.01378	19.3
61.98829	5.4
63.86355	0.6
70.58958	0.5
71.01372	7.1
71.55552	0.7
72.99317	1.2
73.02953	3.2
75.00861	0.8
81.03426	0.6
83.01385	2.7
84.02160	0.9
85.02950	33.8
86.03323	0.7
87.00880	1.6
88.98830	1.5
89.02457	1.7
93.03471	0.7
95.01361	1.0
101.02450	4.5
105.03454	0.7
106.35972	0.6
107.05022	11.0
109.02963	0.7
111.00882	2.1
113.02466	2.4
114.82776	0.7
117.03525	1.2
119.03513	1.0
121.02969	2.8
123.04501	1.8
125.02437	1.1
129.01956	8.1
129.05577	0.7
131.03557	0.8
132.02168	1.7
133.02954	36.8
134.03781	1.0
135.04529	14.7
137.02420	1.7
145.02957	1.5
147.02994	4.3
151.03996	1.6
161.02449	100.0
162.02783	3.6
163.03995	1.1
165.09209	1.7
167.03493	2.0
173.00945	1.3
175.04031	0.7
177.05612	1.5
178.02663	0.7
179.03506	9.1
183.10284	0.6
191.01976	13.0
212.57623	0.7
221.04527	2.1
227.07082	1.5
295.04526	1.6
309.11948	1.4
313.05640	11.6
314.05737	0.7
323.07672	9.0
333.31165	0.8
333.35803	0.7
415.23514	1.5
431.13434	28.9
432.13849	2.4
457.11328	7.5
462.91287	0.6
463.76144	0.6
475.12463	31.7
475.22195	5.6
476.12616	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06687	0.2
52.60810	0.2
57.03436	1.3
59.01382	17.6
59.06995	0.3
61.98836	1.8
67.01914	0.4
71.01379	5.5
72.99318	0.4
73.02947	1.7
78.50750	0.3
79.05517	0.4
80.78271	0.3
81.03441	0.7
83.01376	1.3
85.02946	5.4
87.00875	0.7
89.02448	2.7
90.62403	0.3
91.01903	0.6
93.03453	1.5
95.01388	0.9
96.85284	0.3
96.99347	0.3
98.20664	0.9
99.00867	0.4
99.04542	0.9
101.02443	3.9
105.03473	1.0
107.01380	1.4
108.02150	1.3
109.02955	7.0
111.00896	0.6
113.02458	2.6
117.03476	4.6
119.05030	100.0
120.05366	3.2
121.02946	1.0
123.00883	1.3
123.04531	7.2
124.01620	0.4
125.02424	1.1
129.01967	0.5
134.03749	1.0
135.04485	0.4
137.02438	1.3
143.03517	0.4
145.02956	11.1
146.03264	0.4
147.02985	0.4
147.04536	0.4
149.02435	4.5
151.00365	1.6
152.01167	2.7
153.01936	13.2
161.02359	0.5
161.04552	1.0
161.06027	0.3
162.03195	0.5
162.05632	0.9
163.04010	48.5
164.04332	2.1
166.02777	0.4
167.03500	11.8
177.02007	0.5
177.05579	6.8
178.02739	0.3
179.03444	0.4
179.05621	0.6
191.01886	1.2
191.03517	3.4
191.05284	0.4
193.05034	1.4
195.03024	0.9
205.03467	0.3
209.04544	0.8
219.03036	0.4
221.04578	0.5
221.33812	0.3
233.04547	1.1
235.02541	0.4
241.08841	0.3
261.03915	1.4
269.06635	0.5
281.06747	0.7
284.06744	0.4
285.07843	0.4
291.05249	1.3
296.05426	1.4
297.06155	17.0
298.06418	0.6
307.08215	0.8
309.11926	0.6
311.07727	24.9
312.08017	1.1
312.12375	0.8
313.06427	0.5
313.12680	1.6
327.08517	0.6
339.08478	0.5
355.08240	5.8
356.08224	0.4
357.13477	0.4
385.09119	0.8
415.23508	2.0
431.13574	0.6
443.09866	0.8
470.18893	0.3
475.12433	36.5
475.21768	1.9
476.12787	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	475.1091
Annotation	Napyradiomycin SR
Peak:m/z	Relative Intensity
59.01381	2.0
67.94178	1.3
68.99838	2.5
69.43875	1.3
70.84849	3.0
71.01396	4.3
81.03466	5.8
83.01373	12.1
93.03481	2.3
95.05031	10.1
97.02960	5.4
99.00877	1.7
99.04507	2.7
101.69422	1.3
105.01947	4.3
107.01395	6.6
107.04994	1.6
109.02915	1.7
119.05069	1.5
123.04509	15.4
125.02444	14.4
135.04465	1.8
137.02466	5.6
137.06067	9.6
139.04025	4.7
145.01392	3.3
147.04495	1.5
149.02440	2.8
151.00391	3.4
151.03996	3.2
163.03954	2.3
165.01958	2.4
165.05605	3.4
167.03494	47.9
168.03836	2.0
175.04005	2.1
177.05579	3.3
179.03522	12.7
181.04974	2.5
191.03499	4.1
193.01399	6.8
193.05069	7.1
195.03020	5.8
197.04564	4.6
205.01454	3.7
205.05066	1.8
206.02177	3.4
207.03017	7.2
209.04532	50.4
219.02994	5.6
220.03804	1.9
221.04514	13.6
233.04520	2.2
235.02478	30.1
237.04015	15.0
239.05635	25.2
248.03282	2.8
249.04054	23.4
251.05630	3.1
261.04062	2.0
265.03540	20.1
267.05096	14.7
277.03464	2.5
279.05121	9.5
295.04608	6.8
297.06091	2.4
298.62238	1.5
307.04727	3.1
319.04468	2.0
329.08929	3.5
337.05573	4.2
355.06689	49.8
367.06787	3.7
369.08203	4.1
373.07788	2.1
385.07816	19.3
387.09326	4.3
415.08640	3.7
427.08884	7.7
457.09790	5.4
475.10941	100.0
476.11267	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	475.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.0
71.01368	4.5
81.03455	6.3
83.01379	11.2
87.00830	1.5
93.03454	1.5
95.01421	1.6
95.05022	4.3
97.02940	3.0
99.04491	2.5
105.01928	4.2
107.01362	6.7
107.05025	1.8
109.02937	1.4
111.04499	2.1
113.68198	1.4
115.00374	5.6
120.71516	1.2
121.02969	1.7
123.04508	15.3
125.02428	14.0
133.01425	9.8
133.05031	2.5
135.04535	2.2
137.02480	6.4
137.06070	7.8
139.03983	4.7
145.01408	3.2
147.04523	1.5
149.02394	2.9
149.06093	1.7
151.00371	2.7
151.04008	4.3
155.03484	1.8
165.01877	2.6
165.05644	2.4
167.03494	44.4
168.03752	1.5
170.42964	1.2
177.01965	2.0
177.05595	2.1
179.03465	11.2
181.05034	2.1
189.01936	1.4
191.03510	2.1
193.01355	5.1
193.05060	5.7
193.47214	1.7
195.03003	2.2
197.04565	3.7
205.01413	2.9
205.05026	2.2
206.02135	2.9
207.02971	7.8
208.03494	2.3
209.04543	60.3
210.04874	3.3
219.02901	6.4
219.21872	1.5
221.04547	16.3
222.05135	1.3
223.05852	1.6
233.04489	2.1
235.02464	40.4
237.04028	19.2
237.06189	2.3
239.05614	27.4
240.05872	1.6
247.02449	1.8
248.03084	2.4
249.04036	23.8
250.04202	1.7
251.05515	6.0
261.03912	2.1
265.03500	28.5
266.04025	2.0
267.05035	15.0
277.03467	3.9
279.05014	9.7
279.70963	1.3
295.04648	7.5
297.06174	3.7
307.04694	2.2
319.04590	2.5
321.05899	1.4
329.08789	4.1
337.05551	3.0
355.06705	54.9
356.06891	2.2
357.08273	2.2
367.06674	3.8
369.08142	6.0
373.07693	2.9
385.07736	21.2
386.08414	2.0
387.09387	4.3
402.84808	1.4
415.08807	4.8
427.08862	8.2
457.09961	6.5
475.10876	100.0
476.11145	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	474.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
61.98824	0.9
62.96398	0.4
70.87701	0.3
71.09380	0.7
78.95902	100.0
82.89584	0.3
84.61427	0.3
89.50278	0.3
94.50082	0.3
96.96958	7.7
128.95255	0.3
140.01152	0.4
152.99583	16.6
171.00636	17.1
210.76561	0.3
214.04883	0.4
277.21683	0.6
298.45718	0.4
313.03574	0.5
400.22653	1.2
474.26236	61.5
475.26608	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	474.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
62.96400	0.4
66.43330	0.3
70.72184	0.5
70.72521	0.4
76.02575	0.2
78.95910	100.0
79.87093	0.3
96.96967	8.4
103.57529	0.2
108.26340	0.3
108.27882	0.3
140.01210	0.6
150.97969	0.3
152.99593	15.9
162.44510	0.3
171.00650	17.2
196.03770	0.3
243.41701	0.3
277.21695	1.8
287.98813	0.3
400.22720	1.9
474.26279	57.8
475.26675	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	475.1094
Annotation	Napyradiomycin SR
Peak:m/z	Relative Intensity
52.07633	1.2
57.03443	1.4
59.01371	3.5
65.41942	1.2
67.01919	1.3
68.99810	2.8
69.91629	3.1
69.92007	3.3
71.01392	7.1
81.03467	10.1
82.15691	1.4
83.01386	14.4
85.02954	2.1
85.35316	1.2
88.95244	1.3
93.03457	2.6
95.01397	2.0
95.05029	7.8
97.02926	4.8
99.00901	1.8
99.04520	1.9
101.02447	2.2
105.01923	5.9
107.01406	10.2
107.04986	1.7
109.02939	3.4
113.02383	1.4
115.00381	8.1
119.04938	1.8
121.02931	2.3
123.04545	20.5
125.02455	20.2
133.01425	13.5
135.04539	2.7
137.02452	7.6
137.06102	12.0
139.04001	6.0
145.01407	3.7
147.04503	1.3
149.02388	2.3
151.00330	3.9
151.04021	3.6
155.03482	2.7
163.03966	3.6
165.01894	2.8
165.05554	4.2
167.03503	64.6
168.03792	2.0
175.03934	1.7
177.05539	2.2
178.02644	1.7
179.03491	14.2
181.05074	4.0
183.37383	1.5
191.03502	5.8
193.01395	8.6
193.05054	12.8
195.03078	6.5
197.04491	6.8
205.01396	4.9
205.05031	3.5
206.02206	4.8
207.02982	10.3
209.04553	74.9
210.04883	3.6
217.05212	1.7
219.02962	6.6
220.03662	3.7
221.04535	21.6
223.02364	2.2
223.05910	1.4
225.03952	2.1
231.02768	2.1
233.04462	4.0
235.02463	50.0
236.02888	1.7
237.04036	25.7
239.05583	33.3
240.05954	1.4
247.02612	1.5
248.03131	2.2
249.04033	31.3
250.04468	2.0
251.05519	8.0
261.04279	1.9
263.05554	2.4
265.03522	33.0
267.05118	22.0
268.05319	1.7
277.03568	3.0
278.04224	2.7
279.05099	16.3
293.06641	1.7
295.04575	8.8
297.06168	5.2
307.04556	5.4
319.04623	2.4
325.05780	1.7
329.08658	6.0
337.05719	5.8
339.07272	1.7
355.02280	2.7
355.06693	53.2
356.07193	4.4
357.08344	2.0
367.06680	5.4
369.08252	6.7
373.07492	3.4
385.07678	21.2
386.08215	2.9
387.09229	7.1
397.07376	1.5
415.08740	4.2
427.08853	6.6
447.11343	2.3
447.25485	1.8
457.09647	7.9
475.10913	100.0
476.11386	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	474.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50174	0.8
59.01380	100.0
60.01707	3.4
61.20776	0.8
61.98830	68.2
69.69235	4.2
71.01366	6.6
73.02938	2.8
83.01369	1.2
85.02915	2.8
87.00877	1.1
88.06397	0.7
89.02433	3.7
97.06592	0.8
101.02451	4.4
113.02485	2.0
118.96095	0.8
119.03493	1.3
125.02428	0.8
148.05304	36.2
161.04518	1.9
163.07639	47.1
164.07976	2.0
167.03520	1.3
191.05571	1.8
203.05576	2.5
252.16756	0.9
287.85291	0.9
335.71237	0.8
367.14075	1.0
372.06485	4.0
387.09015	3.4
415.23419	2.0
449.14392	2.3
470.24948	0.9
474.30685	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	474.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35575	0.4
53.30053	0.4
55.01115	0.4
59.01380	3.0
61.02560	0.5
61.98831	100.0
67.52451	0.4
71.01396	0.7
85.02962	0.6
86.70318	0.4
90.73136	0.4
93.03469	1.0
95.73135	0.4
98.20675	0.8
101.02439	0.6
137.02490	1.2
148.05305	24.4
149.05705	0.7
162.28505	0.4
163.07649	32.6
164.08020	1.3
229.15854	0.5
362.54877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
64.10529	0.2
70.23232	0.9
92.63834	0.2
98.19924	0.3
109.92059	0.2
115.21473	0.2
283.39975	0.3
308.68787	0.3
402.10458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26287	0.3
61.98832	100.0
65.12837	0.4
70.80913	0.7
70.81255	0.5
73.18362	0.3
74.93216	0.3
92.65092	0.3
93.12582	0.3
165.03755	0.3
186.50737	0.3
208.22443	0.4
209.26602	0.4
489.23901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48292	0.1
59.01161	0.1
59.01389	1.4
61.98825	0.1
62.96383	0.2
69.92348	0.1
71.01382	0.3
71.17269	0.3
78.95905	9.8
79.28448	0.1
83.05024	0.2
96.96956	0.4
122.00175	0.2
127.07654	0.1
140.01195	2.6
151.92607	0.1
152.99573	1.5
171.00684	0.9
196.03810	1.6
205.19427	0.1
210.56593	0.1
214.04860	3.0
233.22740	0.3
259.20828	0.6
275.20111	0.5
277.21713	100.0
278.22058	6.8
388.72906	0.1
474.26254	13.9
475.26672	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01379	100.0
60.01715	0.5
61.98834	1.4
62.92890	0.3
69.03456	0.3
71.01382	2.6
71.03168	0.5
73.02943	3.6
73.80041	0.3
83.01403	1.1
85.02966	1.2
89.02460	0.9
95.05029	0.3
99.04508	0.5
101.02442	3.4
101.45935	0.3
113.02472	1.3
119.03629	0.3
123.91124	0.3
131.03557	0.4
134.23643	0.3
135.04512	0.3
149.04590	0.5
161.04581	1.0
180.13867	0.3
191.05603	0.4
205.03520	0.4
207.13921	3.3
208.14207	0.4
209.11839	1.3
225.15059	0.6
251.12926	1.0
269.13922	17.3
270.14334	0.5
330.01151	0.3
334.03442	0.3
426.76541	0.3
473.19513	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.5
59.01382	100.0
60.01716	0.6
61.87524	0.3
61.98844	2.3
67.53263	0.3
71.01388	2.1
71.54878	0.3
72.99340	0.3
73.02962	1.1
75.00879	0.4
83.01396	0.6
85.02969	3.0
85.91105	0.3
87.00901	0.4
89.02462	0.9
92.30556	0.4
93.03495	0.6
96.96014	0.4
101.02455	1.4
111.00887	0.7
113.02450	0.9
120.04543	0.3
121.02978	0.4
123.04523	0.3
125.02465	0.4
129.01959	0.7
135.04552	1.7
137.02475	0.6
145.03033	0.3
151.04007	0.3
161.02495	0.3
161.04590	0.5
163.07632	0.4
167.03502	0.4
173.04535	0.3
175.04054	0.3
179.03426	0.6
181.12433	0.8
193.06958	0.3
205.03624	0.5
223.13538	0.4
225.11383	0.9
231.74252	0.3
240.10353	0.6
269.17532	0.5
285.00443	0.3
343.04700	0.4
343.19754	0.5
355.11807	0.4
367.11511	0.3
371.20767	0.6
413.21881	0.9
431.22314	0.5
473.10944	0.3
473.23694	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.275
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	7.0
59.01375	78.0
59.02482	4.7
61.98821	30.2
66.27615	4.5
71.01004	8.0
71.01379	94.1
71.54335	8.7
72.99328	5.9
78.95876	11.8
85.02966	6.6
89.02444	100.0
101.02458	17.1
113.02441	22.2
119.03468	11.7
121.10179	5.4
143.03499	7.1
161.02219	4.3
161.04533	8.4
171.10275	17.5
179.05640	28.7
182.41606	4.6
275.20096	38.0
293.21152	39.6
474.26062	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	473.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03434	1.2
58.00571	0.8
59.01378	100.0
60.32349	0.8
70.30383	1.0
70.30727	2.1
71.01379	21.6
73.02951	5.5
80.69412	0.7
81.09373	0.7
83.01380	2.3
85.02953	8.7
85.39240	0.7
87.00879	4.3
88.00333	0.8
89.02437	13.3
91.32006	0.7
95.01367	1.8
95.52020	0.7
98.20693	1.2
99.00861	2.8
101.02428	18.6
113.02439	8.4
119.03503	6.8
131.03493	0.8
143.03479	1.7
159.02904	2.3
161.04547	16.7
179.05603	2.0
198.19254	0.8
203.10756	1.0
217.23067	0.8
366.76672	0.8
395.17062	52.5
396.17221	4.7
397.96899	0.8
413.18182	36.9
414.18472	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	473.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98836	1.7
69.14220	0.4
69.67809	3.2
80.70972	0.5
94.60281	0.5
128.78058	0.5
154.77208	0.5
189.32306	0.5
195.83623	0.7
222.07443	0.5
430.11969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2211
Annotation	oxyacanthan
Peak:m/z	Relative Intensity
57.03463	1.2
58.99607	10.0
59.01381	81.8
61.98838	1.1
66.44138	0.5
66.68404	0.5
71.01402	0.7
71.54648	0.5
71.55060	0.8
73.98317	0.9
74.99100	3.4
83.01394	0.7
83.97108	0.6
85.02937	5.9
87.00877	8.8
96.96129	0.6
101.02460	0.5
102.98594	8.7
105.09403	0.5
111.00828	0.8
113.02444	0.7
115.07655	0.8
121.02949	1.5
125.02481	0.6
127.65849	0.5
129.01926	2.8
137.02470	0.9
179.03493	1.8
181.95166	0.5
186.59863	0.5
194.05869	1.7
263.18561	0.8
265.16327	0.7
281.19434	38.4
282.19724	2.4
283.17361	96.6
284.17746	5.7
307.17468	1.8
325.18457	6.6
343.19452	42.5
344.19910	3.3
351.19745	1.2
353.18045	2.7
369.21121	10.4
370.21542	1.1
371.18936	2.4
385.20569	4.9
386.21133	0.6
395.18781	2.0
413.20053	38.4
414.20361	3.1
431.21072	41.6
432.21371	4.4
473.22131	100.0
474.22440	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	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74414	0.3
55.29506	0.3
55.31189	0.3
59.01379	100.0
59.52172	0.3
60.01712	0.5
60.63555	0.3
61.98832	12.0
69.29085	3.2
71.01389	1.3
73.02948	1.1
83.01395	0.5
85.02964	1.3
89.02425	0.7
101.02460	1.4
108.18523	0.4
113.02462	1.0
119.03574	0.4
119.05022	0.5
129.01962	0.4
139.27145	0.3
143.03474	0.4
161.04601	0.7
191.05603	0.6
205.03529	0.4
239.22255	0.3
242.61275	0.4
251.16605	1.6
269.04492	0.7
269.14203	0.9
302.68704	0.4
413.21860	0.5
473.10657	0.4
473.23965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98025	9.6
58.99601	11.6
59.01382	50.3
59.67724	2.6
61.98818	7.8
69.64143	14.5
74.99087	7.2
75.74655	3.0
85.02957	3.5
87.00878	7.1
95.51123	2.7
98.20650	3.5
102.98574	7.4
104.23075	3.2
111.00914	2.9
118.98057	6.7
121.02953	6.7
129.01993	3.5
133.02998	5.6
135.04480	3.3
153.46173	2.4
177.01859	4.8
178.02553	3.3
179.03516	3.8
243.51053	3.0
247.17036	9.9
265.18073	25.2
281.15759	32.2
281.19382	24.8
283.17355	39.9
284.17831	3.2
299.13367	4.7
299.16849	100.0
300.17157	7.2
304.46188	3.0
307.17221	3.4
325.18350	11.1
343.19528	22.3
369.17163	26.4
369.21109	9.1
387.18478	31.0
413.20123	16.3
429.19476	43.8
430.19885	4.9
431.20990	14.1
473.22147	45.1
474.21933	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	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01379	100.0
60.01715	1.1
61.98524	0.8
61.98825	5.5
71.01382	15.0
71.54488	0.6
72.60518	0.5
72.99319	1.1
73.02941	9.5
73.03310	0.8
81.03468	0.5
81.48428	0.5
83.01395	2.4
85.02948	6.1
87.00877	1.3
89.02447	12.2
95.01411	1.3
97.02935	0.6
99.00850	0.7
99.04539	0.8
101.02440	10.3
113.02451	10.0
119.03484	5.2
125.02450	0.5
131.03474	0.7
143.03548	1.5
149.04570	0.8
161.04550	3.5
167.03510	0.6
173.60205	0.5
179.05643	2.1
181.12341	0.5
191.05637	0.8
195.97276	0.5
197.06590	0.6
224.28130	0.6
413.17395	0.9
413.21960	2.0
431.22910	1.8
473.20435	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.9
57.03450	18.3
59.01381	42.0
61.98837	6.5
67.01889	1.0
69.18612	7.7
71.01385	9.7
72.99307	1.7
73.02943	4.7
75.00880	2.5
81.87733	0.9
83.01389	10.4
84.02180	2.4
85.02954	100.0
86.03263	1.1
87.00878	1.6
88.01655	0.9
89.02438	1.9
89.44039	0.8
93.03407	1.2
96.95996	1.3
98.45274	0.9
99.00863	1.1
101.02451	8.5
101.55239	0.9
111.00885	36.6
112.01215	1.0
113.02467	1.5
117.03453	2.3
118.83133	1.0
119.03493	0.9
119.05003	1.9
123.04489	1.0
125.02485	1.3
129.01950	73.3
130.02261	1.2
133.02870	0.9
134.03610	1.0
135.04530	2.9
143.03514	0.9
145.02986	6.8
147.02972	1.8
149.04556	2.7
161.04553	5.0
162.05608	8.8
163.04004	1.4
165.05640	1.5
167.03479	1.6
173.04459	1.1
177.04172	1.2
179.03510	2.2
179.05421	1.2
179.10748	1.0
187.02467	4.5
191.02032	1.8
191.05629	1.2
201.11508	1.0
205.03534	54.8
206.03963	2.0
223.04576	23.2
223.06795	1.2
223.13393	14.3
267.12372	10.3
291.04730	0.9
307.08356	2.0
312.12454	18.7
413.21616	1.4
455.15610	2.9
473.16522	21.6
473.23666	1.2
474.17331	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	473.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.3
57.03449	20.0
59.01380	23.3
61.98816	2.8
67.01880	1.3
69.51627	2.8
69.52062	3.3
71.01384	10.9
72.99309	1.9
73.02938	3.4
75.00868	3.2
83.01383	11.2
84.02169	2.4
85.02954	100.0
86.03280	1.9
87.00877	1.4
101.02438	7.3
111.00884	38.4
125.02450	0.9
129.01949	63.2
135.04517	1.2
139.52614	0.7
145.02945	1.1
161.04527	4.4
161.13365	1.0
165.05461	0.9
166.77986	0.8
173.00856	0.8
179.05623	1.4
187.02443	2.7
205.03525	60.4
205.12285	1.0
206.03859	1.9
223.04597	22.1
223.13393	11.5
224.04947	0.9
267.12344	8.3
269.06805	0.8
274.48120	0.8
290.71014	0.7
312.12445	1.7
356.75464	0.8
373.43301	0.9
455.15454	3.1
473.16577	26.0
474.16907	2.0
493.70441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67159	1.0
59.01388	1.0
69.80956	0.9
70.86779	2.2
74.93073	0.9
75.85826	0.8
81.03452	1.7
83.01399	11.3
85.55049	0.9
93.03473	1.3
95.05014	3.6
105.03475	1.6
109.02956	1.2
119.05030	4.0
121.02952	1.3
123.04530	1.8
131.05003	1.7
133.06578	1.8
135.04489	2.8
143.05028	1.4
146.03758	1.1
147.04527	2.6
149.02371	2.1
149.05963	0.9
150.03226	1.3
151.04025	1.1
159.04501	1.8
161.02492	1.2
161.06094	3.4
163.04022	3.1
165.01978	1.0
165.05530	0.8
167.03387	2.0
173.06041	1.5
175.03975	2.0
175.07603	0.9
177.05594	3.4
179.03497	1.5
185.60934	0.9
187.03996	1.8
188.04688	1.2
189.05540	3.7
191.03578	6.3
193.05119	1.5
201.05501	2.0
203.03488	5.4
203.07133	2.6
204.04286	1.1
205.05037	6.5
206.02148	1.3
217.05063	3.7
218.05771	1.8
219.02954	1.8
219.06656	3.8
221.04590	1.9
231.02980	4.3
231.06639	1.2
232.03738	7.8
233.04536	19.2
245.04579	7.3
246.05388	4.9
247.06091	15.4
259.06104	3.3
263.05548	2.6
273.03958	1.2
274.04922	1.4
275.05624	100.0
276.05954	6.3
277.07184	1.8
287.05566	5.7
305.06653	46.3
306.06982	3.4
317.06702	2.2
335.07898	4.4
353.08765	51.3
354.09140	3.6
359.07770	1.3
365.08774	3.3
377.08862	4.6
383.09882	20.3
383.14709	1.5
395.09818	10.3
455.11893	9.2
473.12997	54.5
474.13187	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	473.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59844	0.6
59.01382	5.5
60.44257	0.6
61.98827	1.1
64.95587	0.5
69.88815	1.3
69.89225	1.9
71.01392	3.3
73.02949	1.9
87.00861	1.4
89.02444	15.4
91.05574	0.5
98.19910	0.7
101.86668	0.6
103.04017	1.9
107.05036	0.6
117.03460	0.8
131.03526	3.5
133.02962	4.6
134.03740	2.0
135.04523	88.9
136.04816	2.8
149.04550	38.8
150.04883	0.7
159.04504	0.7
160.01654	1.6
161.02431	26.0
162.02809	1.1
175.18907	0.6
179.03488	100.0
180.03821	4.5
182.77338	0.6
189.54102	0.6
191.05556	1.3
204.49641	0.6
206.61972	0.6
209.04341	0.6
268.53867	0.6
293.61545	0.6
311.07755	3.5
323.07733	17.8
324.08066	1.0
341.08746	51.4
342.09052	3.3
376.38998	0.6
460.92667	0.6
473.12976	22.4
474.13168	1.8
482.81073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34904	0.5
56.77334	0.5
57.05191	0.5
59.01377	7.3
61.98832	1.0
67.78998	0.5
69.42639	3.7
71.01384	4.1
73.02935	2.1
83.50457	0.5
85.02936	0.8
87.00887	1.1
89.02441	12.2
97.54736	0.5
101.02435	1.9
103.03973	0.8
107.05035	0.8
110.99345	0.5
113.02418	0.9
117.03446	1.3
119.03507	1.2
131.03482	3.5
133.02933	2.8
133.40858	0.5
134.03725	2.5
135.04520	100.0
136.04854	3.0
146.03500	0.5
149.04550	36.3
159.36258	0.5
160.01663	1.7
160.37555	0.5
161.02432	25.0
161.04565	1.2
162.02773	0.6
167.03488	1.1
176.04814	1.2
179.03485	96.7
180.03891	2.5
188.04800	1.4
191.07137	2.0
203.07112	1.3
221.04619	0.6
221.08177	4.4
233.08105	0.8
251.09232	3.2
254.96686	0.5
311.07803	4.8
312.88141	0.6
323.07675	22.2
324.08151	0.8
341.08749	38.7
342.09079	2.0
413.14493	2.0
473.12967	28.4
474.13388	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	472.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
59.01377	19.1
60.01714	0.2
61.98829	100.0
66.54684	0.3
69.55642	1.3
71.01383	0.7
73.02943	0.4
83.01393	0.3
85.02960	0.8
89.02457	0.4
93.03470	0.2
101.02467	0.4
111.00856	0.3
113.02470	0.3
119.05049	0.2
129.01961	0.3
136.04056	0.4
141.11267	0.2
143.03485	0.2
152.48988	0.2
179.10718	0.3
191.05626	0.4
251.16454	0.4
268.12985	0.3
269.13947	0.4
278.56619	0.2
334.11719	1.2
341.06390	0.3
342.07181	0.3
436.11188	0.4
472.16687	0.4
473.23459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03589	0.4
53.12284	0.4
59.01381	7.2
61.98829	1.6
69.03429	0.6
71.01377	4.0
71.02350	0.9
72.70039	0.4
72.99279	0.5
73.02954	0.9
77.03091	0.4
85.02938	1.0
87.00878	1.0
89.02451	5.2
91.67467	0.4
96.96037	0.8
99.00880	0.8
101.02424	0.9
105.01935	1.4
107.05067	0.6
109.02945	0.6
111.00927	0.7
113.02449	0.6
115.03993	0.5
119.05054	0.6
122.03767	1.1
122.57171	0.4
123.04652	0.5
125.02430	1.3
130.05907	0.4
131.03531	1.2
133.02930	1.0
134.03758	2.5
135.04524	86.2
136.04863	2.5
146.03738	2.7
149.04549	9.1
161.02444	4.3
161.06018	0.5
163.04027	1.2
164.04823	1.6
165.05582	0.6
178.02718	0.5
179.03496	100.0
180.03825	3.4
180.15181	0.5
183.21753	0.4
191.05611	1.8
193.04980	2.1
203.03508	0.5
221.04532	0.4
233.06700	1.5
293.08722	1.3
297.07672	1.0
311.07782	2.3
323.07675	4.8
324.07864	0.6
341.08743	28.8
342.09146	1.6
353.06641	1.2
383.07233	0.4
385.32077	0.4
405.59018	0.4
473.12897	15.0
474.13062	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82990	0.4
55.90720	0.3
59.01107	0.4
59.01383	4.3
71.01385	3.4
71.53820	0.5
73.02934	0.5
83.01343	0.5
85.02948	0.7
87.00886	0.4
89.02440	6.0
96.96010	0.5
99.00868	0.5
101.02421	0.9
107.05034	0.6
113.02428	0.7
117.03484	0.6
119.05046	1.1
125.02435	1.2
131.03510	1.0
133.02966	0.7
134.03752	2.3
135.04526	92.4
136.04849	2.9
140.81676	0.4
146.03752	2.3
149.04559	9.4
161.02432	4.3
161.06047	1.0
163.04012	0.8
164.04794	0.9
167.03502	0.5
179.03496	100.0
180.03838	3.4
189.01947	0.5
191.05606	0.9
193.05128	0.4
233.06633	1.2
293.08820	1.3
297.07861	0.9
311.07928	3.7
323.07715	2.0
325.07141	0.5
341.08755	25.9
342.09167	1.7
353.06705	1.6
362.80356	0.4
367.71527	0.4
473.12964	20.9
474.13031	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	472.1581
Annotation	Raloxifene
Peak:m/z	Relative Intensity
58.13795	1.2
58.53300	1.2
59.01381	6.5
61.98827	8.9
66.00976	1.4
67.03023	4.9
71.01385	2.0
71.53461	1.3
83.02532	1.4
85.02966	2.8
89.02488	2.6
92.05048	14.7
93.03483	2.0
94.04160	1.1
96.96024	2.6
102.05639	4.7
106.04129	4.7
108.02184	6.1
109.02987	4.2
109.04105	3.2
111.03133	1.6
111.04567	1.1
113.02486	1.5
117.04655	1.1
119.05067	1.2
119.82446	0.9
120.01283	3.5
120.04572	3.2
124.05129	1.2
126.06763	5.0
128.03540	36.2
128.04445	2.2
130.98764	1.2
135.04559	10.8
135.05670	7.1
136.04024	7.4
139.73531	1.2
146.04614	6.6
147.05672	6.8
148.04039	14.6
148.05096	1.3
149.04666	4.8
149.05980	1.8
151.06310	2.2
152.01178	5.3
153.01884	2.5
161.02516	3.1
163.04068	1.5
163.06267	10.6
174.05595	1.1
175.08804	1.5
177.10289	8.6
179.03520	10.6
189.05551	2.7
189.10315	5.7
191.05666	4.3
203.08252	1.5
215.08333	2.4
221.04616	1.7
221.09340	10.5
226.55276	1.1
231.06679	1.3
233.09274	24.2
234.09756	1.5
258.08926	1.3
275.11511	7.6
300.11020	35.4
301.11417	2.4
311.07837	1.8
316.08035	1.2
326.46890	1.1
341.08823	2.8
343.11203	9.2
360.16946	4.0
385.16208	17.2
385.20383	1.2
386.15329	1.4
404.15698	40.5
404.87097	1.1
405.16147	2.4
411.14377	4.5
429.15240	12.8
454.15237	4.1
472.16135	100.0
473.17050	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	472.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00575	1.5
59.01379	40.9
71.01379	30.5
71.01778	1.5
72.99310	1.4
76.94661	0.8
79.66525	0.7
83.01377	1.3
85.02948	3.4
87.00866	2.5
89.02442	44.9
95.01380	1.7
99.00883	1.3
101.02441	18.7
104.25631	0.7
108.90364	0.7
113.02442	13.6
119.03497	16.4
127.33467	0.7
128.48920	0.9
130.08737	40.3
131.03503	2.8
135.04535	0.8
143.03461	4.5
148.42926	0.8
149.04568	2.7
161.04556	5.0
163.42256	0.7
179.05594	21.8
191.05597	0.8
341.10861	100.0
342.11209	4.6
393.62088	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.348
Annotation	Odoratone
Peak:m/z	Relative Intensity
51.55931	0.2
59.01368	0.8
60.73297	0.2
61.41179	0.2
61.98849	0.5
71.08877	0.3
79.91190	0.2
83.49436	0.2
88.77447	0.2
116.92880	0.3
131.74600	0.2
137.98494	0.2
260.60944	0.3
377.28436	0.3
393.31891	0.3
423.32544	0.7
439.32138	0.3
471.34781	100.0
472.35129	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	471.3479
Annotation	Odoratone
Peak:m/z	Relative Intensity
50.88366	0.2
59.01381	0.5
61.98831	0.4
67.85142	0.2
76.75183	0.2
92.55916	0.2
98.20683	0.3
118.45574	0.2
135.68411	0.2
167.53046	0.2
423.13019	0.2
423.32977	0.2
471.34772	100.0
472.35129	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	472.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.4
61.98829	100.0
71.01402	0.5
71.03580	0.6
79.10497	0.3
79.24611	0.3
183.12645	0.3
260.21237	0.3
473.24045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.4
59.52084	0.4
61.98809	0.5
68.49253	0.3
71.01380	1.2
71.54408	0.6
73.02958	0.3
75.00872	0.7
82.19318	0.3
83.01385	0.5
85.02955	0.9
85.39690	0.3
88.04051	2.5
89.02467	1.7
92.97163	0.3
95.34367	0.3
101.02419	0.6
103.00368	0.9
105.01910	0.5
108.02179	20.8
111.00921	0.4
112.04052	1.6
116.92863	1.5
117.92859	0.4
119.05000	0.5
123.04533	11.9
124.04859	0.5
125.02475	0.6
130.05115	2.5
134.03708	0.4
135.04523	8.1
146.03781	0.4
146.29135	0.4
149.02448	1.0
149.04556	2.0
152.01157	40.8
153.01579	1.4
161.02429	1.8
161.04568	1.2
164.04707	0.3
167.03496	100.0
168.03831	3.4
173.04576	0.4
175.03931	0.4
179.03508	8.6
191.03517	0.4
191.05620	0.5
193.05074	0.4
221.04588	0.5
249.04166	0.3
250.10925	0.9
275.05600	0.6
275.97113	0.3
311.07614	0.7
323.07709	0.9
329.08774	16.1
330.09186	1.0
341.08746	3.8
367.06451	0.5
394.30420	0.3
472.13379	1.0
473.13162	4.4
473.19559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.7
59.01383	21.1
61.98825	2.3
62.86336	0.8
70.82117	1.4
70.82450	1.3
70.85656	0.6
71.01400	3.6
71.05019	1.0
73.02950	4.4
74.74834	0.7
75.00885	1.6
81.03438	1.7
83.01382	1.0
85.02953	4.8
87.00884	3.3
89.02450	1.7
95.01383	1.0
95.05043	0.7
96.96018	2.7
99.00887	1.3
99.04536	2.5
101.02451	2.0
104.02693	0.7
108.02169	2.3
109.02977	4.1
111.00892	4.1
113.02457	2.1
117.03488	0.9
119.05039	1.8
121.02978	10.3
123.04533	1.2
125.02451	2.8
125.06091	2.0
130.08789	1.0
132.02197	2.0
134.03734	0.8
135.04536	2.0
138.98494	0.7
139.03937	1.0
143.03493	1.1
143.07147	4.3
147.04527	4.6
149.02441	72.9
150.02777	1.8
151.03973	0.9
151.07657	1.7
155.10773	2.5
159.39153	0.7
161.04550	2.1
163.03990	1.3
164.04794	49.8
165.05139	1.7
167.03407	1.0
179.05620	1.6
179.07140	3.9
190.02701	3.3
191.01982	0.8
191.05630	1.3
193.05058	0.9
195.06648	6.7
203.05624	1.2
205.05040	2.6
208.03719	2.6
221.06635	6.4
223.06117	100.0
224.06445	4.3
239.58110	0.7
255.03102	1.2
271.02487	2.0
278.69922	0.7
295.11902	1.7
300.02676	2.9
301.03329	1.2
313.13055	1.9
347.07635	1.8
347.57840	0.8
357.12091	1.2
367.10373	2.1
385.11514	2.2
411.20160	0.9
426.29593	0.8
427.12500	1.5
433.07895	1.5
471.18753	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
59.01380	12.1
61.98811	2.9
64.11215	0.9
69.50552	3.2
69.50973	3.6
71.01378	3.5
73.02940	2.0
75.00858	1.7
81.03449	2.3
83.01407	1.3
85.02968	7.4
87.00874	2.0
88.98759	1.3
89.02446	2.0
89.03951	1.1
93.03472	2.3
96.95995	8.6
97.06563	1.2
98.20595	2.1
99.00864	1.3
99.04489	1.6
101.02434	2.4
113.02435	1.6
117.03464	1.6
119.03513	1.2
119.05003	4.0
121.02955	10.6
124.29971	1.0
125.02447	9.7
132.02158	1.6
134.03751	12.6
137.02394	3.1
137.56410	1.1
139.03952	1.6
143.03523	1.0
147.04591	5.3
149.02440	72.3
149.06071	5.3
150.02831	2.9
161.02422	4.3
161.04564	2.5
163.03993	4.3
164.04794	52.0
165.05087	1.4
167.03416	1.7
168.00624	1.3
173.04550	1.7
178.02666	4.2
179.05649	2.2
179.07135	3.8
190.02623	1.7
191.01970	1.0
191.05592	2.6
193.01424	1.4
193.05048	23.7
208.03679	1.8
221.06641	2.2
223.06117	100.0
224.06447	3.7
249.11125	1.1
355.10132	1.3
383.07715	1.8
385.11426	9.5
450.55673	1.2
471.19754	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	471.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24776	0.6
57.03439	1.1
59.01377	14.7
70.38868	1.9
71.01373	1.3
73.02933	1.6
75.00867	1.1
79.26324	0.6
79.95712	0.7
81.03455	2.1
85.02953	3.5
87.00874	7.6
89.02470	0.8
93.03460	1.5
99.04520	2.3
101.02433	0.9
103.00359	1.1
108.02169	0.8
111.23483	0.6
119.05013	1.9
121.02962	8.1
125.02441	1.2
132.02168	1.1
134.03708	1.3
135.04521	0.7
137.02440	1.7
139.04025	0.7
143.03491	1.7
147.04552	4.6
148.04926	0.7
149.02434	57.8
150.02798	1.2
152.01125	1.3
161.02467	0.7
161.04543	1.2
163.04008	3.4
164.04788	48.4
165.05392	2.4
167.03430	1.4
175.00365	0.7
177.01839	0.8
179.05705	0.7
179.07123	3.4
190.02762	2.9
190.57152	0.6
191.05553	1.2
192.04324	1.3
193.01424	1.3
193.05016	1.8
203.05574	3.5
205.05119	3.6
207.06633	1.9
208.03792	4.2
221.06583	4.0
223.06105	100.0
224.06441	4.7
247.05331	1.2
309.12268	0.8
323.11133	0.6
367.10547	1.5
385.11258	0.9
427.12039	2.7
471.05771	1.4
471.54062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16179	1.6
57.03455	2.1
59.01382	54.5
61.98830	2.6
64.63721	1.7
71.01382	7.1
71.55290	2.5
71.55658	3.1
72.99323	2.1
73.02944	5.0
75.00868	7.8
81.03447	8.5
83.01424	2.5
85.02939	8.6
87.00883	5.9
89.02448	2.8
96.96030	5.5
99.04531	19.7
101.02425	4.2
103.04034	3.2
109.02992	2.3
111.00883	40.6
112.01186	9.9
113.02433	3.5
121.02971	12.7
122.03728	2.7
123.04482	2.7
125.02496	2.3
134.03677	2.1
134.79565	1.7
143.03494	2.4
147.04520	4.8
149.02440	74.3
153.05576	4.4
161.02507	2.2
161.04555	8.2
163.07603	4.1
164.04791	64.9
167.03479	2.5
173.00906	4.5
175.00290	4.1
177.05531	1.9
179.05850	8.7
179.07121	9.4
179.10777	31.6
180.27423	1.8
190.02733	15.0
191.03464	5.4
191.05663	2.5
193.01443	2.3
193.05051	2.4
198.77367	1.7
199.73422	1.8
205.05043	18.1
206.05592	2.8
208.03761	3.7
221.06610	34.3
223.06120	100.0
223.09384	9.4
224.06476	4.9
249.07610	7.3
265.09326	3.8
267.16306	2.0
279.08868	2.4
305.10315	6.3
323.11365	21.2
324.11185	2.0
348.92249	1.8
367.10062	9.5
385.11295	9.9
427.12186	5.5
471.14673	17.4
471.21204	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01379	16.0
61.98823	2.9
71.01390	3.4
71.24045	1.1
72.45869	0.8
72.46304	0.6
73.02941	3.7
75.00866	1.4
76.93138	0.6
82.35034	0.7
83.01373	1.3
85.02966	3.4
87.00878	3.6
89.02454	1.6
91.05556	1.0
93.03448	1.3
95.25350	0.6
96.69962	0.7
96.95988	2.4
99.04513	1.9
101.02452	1.6
101.21277	0.7
108.02181	1.4
109.02945	3.2
111.00881	3.0
113.02489	1.1
119.05009	1.0
121.02943	10.2
125.02412	2.6
125.06049	2.1
130.08734	0.7
132.02150	1.3
135.04532	2.3
143.03487	1.4
143.07140	3.3
147.04520	5.3
149.02438	68.6
150.02783	2.9
151.07605	1.7
152.01169	1.2
155.10767	2.5
161.04509	1.4
163.04062	1.4
164.04790	48.2
165.05209	1.7
175.00441	0.9
179.05644	1.4
179.07112	3.9
190.02715	2.3
191.05580	1.8
193.01448	1.1
193.05064	0.7
195.06625	7.1
203.05553	1.5
205.05014	2.7
208.03746	2.5
221.06618	6.7
223.06110	100.0
224.06488	5.0
271.02444	1.7
295.11758	1.8
300.02817	1.7
301.03387	0.8
313.12891	1.4
347.07938	1.3
347.57782	0.9
367.10309	2.0
383.69925	0.7
385.11511	1.9
427.12305	1.7
433.07962	1.1
471.18591	7.9
472.19455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83578	0.9
59.01382	46.7
61.98840	2.4
68.93111	1.0
70.08912	4.7
71.01392	2.6
73.02944	2.7
75.00869	2.7
81.03469	6.4
85.02938	7.9
86.28589	1.0
87.00877	3.5
88.46656	1.0
91.01948	1.2
93.03506	1.3
96.62857	1.2
97.02938	1.4
99.00882	1.3
99.04527	3.4
101.98943	1.2
102.64489	1.1
103.00372	1.9
113.02419	1.4
114.73451	1.2
118.29420	1.2
119.01398	1.3
119.05016	1.5
121.02998	6.1
123.04537	1.4
125.02450	1.2
129.01973	2.1
135.04558	1.8
137.02524	1.1
143.03493	5.4
147.04509	4.3
149.02440	43.2
150.02872	1.1
151.27168	1.1
161.02477	1.5
161.04607	5.9
163.04057	2.1
163.17279	1.1
164.04794	41.7
165.05484	1.3
167.03481	1.4
175.00349	6.6
179.05699	1.3
179.07141	5.0
190.02730	25.1
191.05563	2.2
193.01402	3.7
193.05203	1.9
203.05675	7.1
203.52756	1.1
205.05052	51.8
206.05356	3.5
208.03787	9.3
221.04688	2.0
221.06686	3.8
223.06114	100.0
224.06480	4.0
226.95392	1.1
263.05582	2.1
279.09000	1.4
323.11322	13.7
367.10239	9.2
383.07999	1.6
385.11487	6.3
427.12589	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	471.1141
Annotation	Clofazimine
Peak:m/z	Relative Intensity
59.01373	3.9
61.98830	4.9
62.97903	0.6
63.04403	0.7
63.27922	0.8
63.88076	0.7
71.01371	5.8
71.53534	1.1
73.02950	1.8
81.03461	1.4
83.01388	3.1
83.05019	3.4
85.02954	5.2
87.00898	0.9
89.02432	1.0
92.05065	1.0
93.03454	8.0
95.01380	2.8
96.96007	7.5
96.96981	1.0
99.00833	1.6
99.04450	0.7
101.02447	2.3
102.05603	1.1
108.02171	40.4
109.02948	29.2
110.03301	1.0
111.00861	2.6
111.04520	7.4
113.02448	1.9
119.05039	1.0
120.01280	1.2
121.02932	1.3
123.00862	1.9
123.04532	0.7
127.04063	0.9
128.03558	4.1
129.01987	0.8
129.05545	2.0
135.04547	0.8
137.02431	8.0
140.08385	0.7
141.07510	0.7
146.04619	0.9
148.04065	1.4
151.03979	1.6
152.01147	53.1
153.01933	21.3
155.03502	2.6
163.03983	1.4
165.01869	1.2
173.04547	2.6
178.02716	0.9
191.05573	1.9
193.04976	1.7
233.09294	1.8
249.07605	0.9
300.11008	2.8
315.07172	13.8
343.11536	1.0
385.16681	1.1
404.15549	4.2
435.08881	1.4
453.10370	5.5
471.11392	100.0
472.11230	4.9
472.16034	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	470.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72699	0.3
55.89638	0.4
57.03465	0.5
59.01383	7.8
61.98845	0.5
68.16486	0.4
68.99835	0.5
70.64970	1.2
71.01392	3.6
84.32607	0.4
85.02970	1.4
85.06618	0.4
89.02454	2.7
95.01465	0.6
101.02445	2.0
113.02473	1.1
119.03526	0.6
121.02972	3.6
127.00425	1.1
146.88603	0.4
151.02766	25.7
152.03375	0.8
156.10284	0.4
158.03816	0.6
164.09099	0.5
168.06686	0.6
183.01735	9.1
183.04404	0.7
185.02518	0.7
185.06203	0.6
190.05226	0.9
191.05878	2.5
192.06619	1.3
197.06165	1.0
198.06891	1.4
199.07629	0.6
202.02766	0.6
204.06760	1.6
209.06085	0.5
211.04117	0.6
211.07491	0.5
218.08258	0.8
220.09831	1.6
220.99519	1.1
221.09831	1.3
223.11453	0.8
225.05688	1.2
226.06480	1.5
227.07240	1.7
231.03102	0.8
231.08237	1.1
232.09871	0.4
237.05800	0.5
239.03593	0.8
245.04675	0.8
249.09331	1.5
251.10802	0.5
254.05850	1.9
255.06757	0.7
259.02444	0.7
273.04108	0.8
277.08707	1.9
290.13998	47.7
291.14233	3.0
299.05652	0.7
308.14923	5.0
319.53036	0.5
354.17053	0.6
355.17371	0.4
364.15616	0.8
366.17242	0.9
382.16644	3.7
392.15143	0.5
410.16144	7.5
411.16599	0.5
442.19016	0.6
470.20227	100.0
471.20520	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	470.1819
Annotation	Platensimycin A4 Methyl Ester
Peak:m/z	Relative Intensity
52.99002	0.3
57.03444	0.7
63.43703	0.3
68.99512	0.4
68.99824	3.6
69.55811	2.4
69.57970	0.4
72.04547	0.7
86.34494	0.3
86.60297	0.4
94.00796	0.3
99.00882	0.9
102.69351	0.3
114.05599	2.3
127.00367	2.3
130.08746	0.9
139.05527	0.6
143.05093	0.5
153.07092	0.6
155.08673	0.9
156.10304	2.1
157.06578	0.7
159.04501	1.5
167.04958	0.5
167.08615	0.8
171.04575	0.6
172.05295	3.0
173.06036	1.4
174.03242	2.0
179.08636	0.4
181.06575	1.5
181.10236	1.1
183.04465	2.5
183.08223	0.6
183.11812	1.2
185.06065	1.3
186.03151	0.4
187.03989	1.8
195.04547	0.4
195.08089	0.7
195.11787	0.4
196.05249	0.8
197.06079	5.3
197.09645	0.4
198.06824	3.6
199.03961	3.3
199.07544	1.7
200.04750	1.7
201.05594	0.7
202.02710	8.2
203.03217	0.7
204.04285	1.2
209.02499	0.8
209.06096	2.4
209.09705	0.7
210.06812	1.4
211.04001	8.0
211.07549	2.3
212.04659	1.2
213.05605	0.5
214.02686	1.9
214.06171	0.4
215.03505	0.7
221.09715	1.1
223.03979	0.6
223.11288	2.8
225.02200	0.5
225.05563	11.7
225.09003	0.7
226.06332	7.6
227.03549	0.7
227.07129	2.5
227.10802	1.6
228.04251	0.8
229.04930	1.0
231.02966	0.6
231.08171	2.5
232.03737	0.5
233.09698	0.8
237.05527	1.7
238.12390	0.4
239.03583	2.4
239.10822	2.1
240.04169	0.5
241.05070	1.0
242.02205	0.6
242.05849	0.8
247.07668	0.9
249.09203	5.9
251.03656	0.5
251.06883	0.5
251.10764	1.2
253.05054	2.8
254.05821	4.2
255.06491	0.8
259.02557	0.7
259.07614	0.7
265.08655	0.6
267.10181	1.2
271.06210	0.9
274.04788	1.9
275.07074	0.7
277.08719	3.6
295.09723	0.7
298.18082	0.5
299.05545	0.8
304.46115	0.4
314.07846	0.5
338.17584	2.3
340.15814	0.4
342.17096	3.6
354.17178	2.2
355.17410	0.5
366.17050	1.3
382.16623	9.1
386.95569	0.4
392.15018	1.0
410.16080	21.1
411.16602	2.3
414.18958	0.8
438.15524	1.4
442.18768	4.3
470.18170	100.0
471.18488	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	470.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09588	1.3
59.01372	2.8
61.98827	93.9
69.18665	9.2
69.19071	2.6
73.02952	1.2
75.82388	1.3
87.25084	1.2
92.89149	1.2
95.05034	1.5
95.22900	1.3
96.95969	1.4
98.20703	1.7
101.79834	1.1
105.03441	5.2
113.90504	1.2
114.04702	1.1
117.03455	2.1
118.98076	1.3
133.02959	13.8
134.03729	26.2
135.04530	11.0
137.02362	2.2
143.67525	1.1
149.04576	2.3
161.02419	2.2
162.03247	6.2
177.01897	3.7
178.02718	2.9
180.92703	1.2
187.07552	1.6
189.17966	1.3
191.05652	1.6
231.10229	32.3
232.10445	1.5
275.09232	100.0
276.09464	6.0
339.77283	1.3
372.11594	2.3
374.06021	1.9
407.13721	6.4
472.29031	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	470.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
67.40340	0.4
68.99818	2.6
70.27851	0.4
70.72996	1.0
72.04539	0.6
89.53563	0.4
98.06104	0.4
99.00875	0.8
114.05590	1.6
114.75797	0.5
127.00356	2.7
127.13185	0.4
130.08693	0.9
140.07094	0.6
153.07062	0.6
155.08704	0.7
156.10271	2.5
157.06516	0.4
159.04497	0.8
167.04999	0.6
168.06621	0.6
172.05251	1.4
173.06010	0.6
174.03172	0.7
181.06558	1.2
181.10207	1.2
183.04497	2.0
183.11815	1.3
185.02519	0.5
185.06091	1.5
186.03242	0.5
187.04013	1.0
195.04517	0.9
196.05193	0.6
197.06091	4.4
197.09857	0.5
198.06830	3.8
199.03864	0.8
199.07597	1.8
200.04785	1.2
202.02739	4.5
204.04301	1.0
209.06084	3.0
209.09639	0.5
210.06772	1.9
211.04007	6.5
211.07642	1.9
212.04691	0.6
213.05534	0.9
214.02713	0.7
214.06247	0.4
221.09651	2.2
223.03955	0.7
223.07736	0.6
223.11261	2.7
225.05542	9.2
225.08969	0.5
226.06348	8.3
227.07152	3.9
227.10776	1.1
229.04959	0.8
231.02895	1.4
231.08127	2.4
233.09651	0.9
235.03961	0.5
237.05563	1.8
239.03479	1.7
239.10793	1.0
241.05017	1.7
242.05829	1.3
245.04488	1.1
247.07715	0.4
249.09251	5.3
251.10750	2.0
253.04996	2.6
254.05836	6.0
255.06612	1.2
259.02402	1.1
259.07547	0.6
265.08606	1.0
267.10190	0.9
271.06223	0.6
273.03931	1.0
274.04825	0.9
275.07382	0.6
277.08713	4.4
285.07556	0.7
293.08224	0.6
295.09723	0.8
299.05588	1.5
314.07849	1.0
338.17728	2.3
342.16992	2.8
354.17114	3.6
364.15485	1.6
366.17062	1.6
382.16550	9.5
383.16931	0.8
392.15018	1.3
410.16089	23.9
411.16367	2.4
438.15463	1.2
442.18643	2.3
470.18170	100.0
471.18637	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	470.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65605	1.3
59.01379	39.2
61.98829	21.1
67.01868	1.5
67.96446	1.1
69.94618	1.4
70.48902	1.2
71.01387	12.7
71.55045	1.8
71.55399	1.3
73.02940	7.1
78.95920	1.3
83.05015	1.6
85.02950	5.0
85.27499	1.3
87.00853	5.1
88.04050	1.2
89.01925	2.3
89.02447	26.6
89.95682	1.1
93.03451	6.4
93.90241	1.2
97.23402	1.3
98.46455	1.3
101.02433	4.0
103.04019	2.4
113.02458	4.0
131.03496	8.3
134.03745	3.1
135.03040	2.6
146.03751	1.6
149.04556	100.0
158.03682	2.3
159.04449	3.0
160.04016	3.9
161.04585	1.4
163.73257	1.2
172.05333	3.4
173.04591	2.9
173.06026	5.5
174.04871	1.5
174.06845	1.6
175.07597	2.0
177.01837	1.9
177.03934	2.3
178.02612	1.7
183.04442	2.2
187.03983	3.3
187.07640	38.2
187.11269	2.8
188.07983	2.2
191.05614	2.1
199.04041	1.7
200.04648	2.5
201.05568	4.4
202.06369	10.9
203.10771	2.3
205.12376	3.1
213.09244	8.5
215.07088	9.8
221.06450	2.2
223.13341	3.0
227.03452	2.2
228.04221	2.4
229.08661	4.7
229.12254	1.7
231.10252	24.8
249.11411	1.9
257.08215	17.3
263.78210	1.4
267.12366	4.0
275.09256	45.6
276.09503	4.9
296.11264	1.4
407.13504	20.9
408.13586	1.6
417.71399	1.4
470.06766	1.7
470.16623	3.9
471.06369	2.9
471.17001	1.9
483.94913	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	60.4
57.85653	0.7
59.01382	13.0
61.98837	2.7
66.07614	0.6
67.01921	0.7
70.39748	2.3
71.01388	5.2
73.02961	2.7
83.01402	1.3
85.02980	4.0
89.02467	1.1
91.28706	0.7
93.03468	2.9
96.96033	1.8
97.44231	0.8
99.00916	0.8
99.04525	43.7
101.02452	13.4
103.53542	0.6
113.02453	2.6
116.24380	0.7
121.02982	1.8
122.03666	0.7
124.01694	0.8
125.02461	19.0
133.02937	0.8
134.85916	0.6
139.00673	0.6
139.04022	1.8
140.04362	0.9
141.04427	0.6
143.03496	1.4
147.04564	1.7
148.05313	100.0
149.05597	3.7
151.08731	2.2
152.34692	0.6
161.04555	5.0
162.12572	0.7
163.07657	98.6
164.08029	4.3
165.81415	0.6
167.03514	0.8
173.04594	1.6
191.05617	0.8
192.06636	0.9
221.11749	0.7
259.12878	0.6
264.17120	0.9
306.14755	1.1
307.11856	0.8
308.16174	1.8
451.15765	1.2
469.15399	1.0
469.21735	3.4
470.20483	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24853	0.7
51.37538	0.7
55.55767	0.6
59.01379	19.6
61.98811	2.0
67.01890	1.6
69.44118	4.9
74.40390	0.7
81.03416	0.7
87.00883	1.0
89.03985	1.1
94.03766	1.4
95.01385	1.8
103.91396	0.6
105.03418	0.8
107.01347	0.9
107.05035	1.5
108.02119	1.0
109.02949	2.5
111.00897	1.4
111.31166	0.7
115.04013	1.7
116.17122	0.7
119.05013	0.7
121.02934	1.7
123.00866	6.2
123.04497	2.3
124.01671	13.0
125.02430	1.0
133.02950	3.3
133.05061	3.2
133.06601	1.0
134.03711	0.9
135.04500	2.7
136.01678	1.5
137.02443	42.1
138.03232	16.3
147.04558	1.2
148.05226	1.1
149.02444	4.2
149.06064	0.8
150.03236	5.0
151.00351	4.1
151.04024	5.7
152.01144	28.4
159.04446	1.7
161.02435	2.1
162.03151	0.8
163.04037	7.8
163.07611	1.1
164.01117	1.4
164.04828	1.1
166.02695	3.0
173.04507	3.2
174.04903	1.0
175.06151	3.2
177.01939	13.0
177.05518	3.3
178.02716	16.8
179.03500	20.4
180.04236	1.8
187.04021	1.5
190.02733	1.1
191.03517	1.6
194.02182	0.9
202.02690	1.1
203.03508	2.1
204.04263	0.7
205.05043	4.0
206.05876	3.4
220.07506	0.9
221.68785	0.7
223.13435	3.8
275.09232	2.1
313.07285	0.8
326.65387	0.7
341.06537	1.3
343.11975	1.7
355.08267	1.1
356.08862	0.9
371.11322	89.2
372.12079	100.0
373.12424	6.2
451.14929	4.8
462.74893	0.8
469.16022	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	469.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36985	1.0
57.03437	2.2
59.01107	1.6
59.01377	18.9
61.98815	3.1
71.01382	15.8
71.55463	1.8
72.99306	1.0
73.02936	2.6
83.01383	2.6
85.02949	11.8
87.00854	1.1
89.02443	8.4
93.03452	7.1
96.96014	2.5
99.00918	1.0
101.02443	8.0
107.05016	1.0
108.02158	2.7
109.02922	1.8
111.00861	2.5
113.02449	6.7
117.03452	7.6
119.03507	3.5
119.05027	73.3
120.05370	2.0
121.02966	6.7
123.04520	3.2
125.02449	7.1
125.69923	0.8
129.01910	2.2
131.05037	3.0
132.05811	5.5
133.02898	0.9
133.06598	29.6
134.03677	1.9
135.04491	2.9
137.02495	1.1
145.02954	49.8
146.03352	1.0
147.04507	3.4
149.06036	2.7
151.02744	1.0
152.01186	2.4
153.01955	1.1
155.60019	0.9
159.04544	2.3
161.06073	66.4
162.03256	2.0
162.06403	1.8
163.04010	100.0
164.04373	3.7
167.03490	4.8
173.04591	1.2
175.03961	1.4
177.05559	35.2
178.05844	1.3
179.03557	1.6
187.03998	2.5
188.01384	0.9
191.01988	4.5
191.07179	0.9
193.05109	1.5
199.50424	0.9
205.05048	78.5
206.05379	3.4
230.08583	0.9
235.06105	26.8
236.06390	1.2
265.07153	50.8
265.14493	2.0
266.07547	2.2
275.12729	1.2
290.13980	2.8
307.10379	2.9
323.13449	42.2
324.13754	1.6
325.09186	4.1
349.16605	2.5
398.08176	1.0
409.21060	1.5
469.17157	97.8
470.17847	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	469.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35629	0.4
57.03450	15.3
59.01383	1.5
60.56440	0.3
61.98825	0.7
68.59802	0.3
71.01399	0.6
85.02949	1.0
87.00902	0.4
93.03465	0.9
95.05030	0.4
96.96021	1.6
99.04514	5.1
101.02439	4.1
108.02211	0.6
109.02961	0.8
112.98533	0.6
113.78352	0.4
119.05029	89.5
120.05341	2.6
123.00939	0.5
124.01704	0.5
124.02577	0.4
125.02444	4.8
134.03780	0.4
135.04527	0.4
137.02454	0.6
141.05495	0.4
149.02501	0.5
152.01230	0.5
163.04012	100.0
164.04359	3.4
167.03459	0.8
191.05630	0.5
325.09308	10.0
326.09540	0.9
367.10315	3.6
407.13434	1.0
426.38843	0.3
469.13547	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88825	0.3
53.50819	0.4
59.01381	2.4
61.19325	0.3
61.98833	1.1
67.06562	0.3
68.99818	1.0
69.76429	2.0
71.01380	0.8
81.03466	4.3
83.01388	6.2
85.02985	1.0
89.02457	0.4
93.03466	1.3
95.01410	0.5
95.05037	6.0
96.96008	0.8
97.02966	1.7
99.04540	1.8
101.02438	0.7
102.65089	0.3
107.05027	0.7
108.02187	0.6
109.02970	1.6
111.04552	0.4
113.02516	0.4
114.05717	0.4
118.94858	0.3
119.78139	0.4
121.02967	0.8
122.03724	1.0
123.04524	8.3
125.02461	12.2
126.02757	0.4
127.04063	2.1
135.04552	2.1
137.02477	4.0
137.06100	9.4
139.04044	3.6
141.05621	1.1
144.54987	0.4
147.04549	0.4
149.02429	0.8
149.06117	0.5
151.04025	2.1
155.03503	0.6
159.22520	0.4
161.02425	0.4
163.04066	0.7
164.04912	0.5
165.01970	1.2
165.05527	3.3
167.03510	30.9
167.53970	0.4
168.03903	0.9
177.01953	0.6
177.05589	1.2
179.03516	6.5
180.04274	0.5
181.05028	2.1
191.03522	0.9
193.05103	5.8
195.06552	0.6
197.04530	1.2
201.53999	0.4
206.02144	0.5
209.04558	100.0
210.04912	4.1
217.30731	0.4
221.04555	22.6
222.04924	0.9
225.07686	0.5
239.05617	10.3
240.05901	0.4
251.05618	3.3
263.05630	0.4
289.07126	2.4
311.07825	0.6
315.08789	0.7
320.15152	0.4
329.08783	32.6
330.09143	2.0
341.08755	17.7
341.12976	0.5
342.08963	1.0
349.09235	1.2
412.79373	0.4
469.13425	23.6
470.13916	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	469.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43126	1.5
57.03436	1.4
59.01368	4.8
59.80085	1.4
61.98829	8.8
69.03432	1.4
71.01386	1.9
71.08598	2.3
78.95889	2.3
79.45731	1.4
81.03460	3.8
83.01383	11.2
83.31545	1.4
85.02974	2.0
89.02425	2.3
92.95335	1.9
93.03482	1.7
95.01393	4.0
95.05026	3.6
96.96022	13.1
96.96960	5.5
97.02948	1.9
101.02477	2.0
107.01387	4.7
107.05038	2.2
109.02946	5.8
111.00879	8.4
118.93945	1.5
119.04983	1.7
121.02999	1.4
123.04536	7.0
125.02457	11.8
131.05000	2.4
135.00894	3.3
135.04483	3.2
136.23738	1.4
137.02452	10.1
137.06084	4.0
139.00381	11.6
139.03998	3.9
147.04510	3.3
149.02408	2.6
150.03261	1.8
151.00313	1.9
151.04010	4.6
159.04524	2.2
161.02351	2.1
163.00348	2.1
163.04008	2.9
165.01955	2.5
165.05605	3.2
167.03517	16.7
172.43636	1.4
173.05995	2.5
175.03973	5.2
177.01918	2.3
177.05489	2.2
178.02678	1.7
179.03491	6.4
189.05573	3.1
191.03470	4.1
191.05557	2.2
191.07162	1.8
193.01390	3.4
193.04974	3.1
197.04536	2.1
197.06181	1.7
200.04805	1.6
201.05489	1.8
203.03516	6.2
205.01390	5.0
205.05074	2.5
207.02991	2.5
209.02696	2.8
209.04535	27.6
216.30231	1.8
217.05078	7.3
219.02943	10.2
219.06566	2.2
220.03658	2.3
221.04520	2.7
231.06606	2.6
232.03677	1.7
233.04568	11.4
235.02489	19.0
235.06065	2.7
239.05566	5.3
241.04964	1.8
243.06725	1.7
245.04652	6.5
247.02542	3.0
248.03223	6.7
257.04565	2.5
259.02420	1.8
259.06061	6.2
261.04016	22.8
263.05554	4.5
265.03442	3.4
269.04477	1.6
275.05597	3.4
278.04327	2.0
285.04178	2.3
287.05627	15.6
289.03641	3.2
289.07019	2.8
291.05133	5.1
300.02817	1.8
301.03491	2.4
303.05127	17.6
305.06674	21.8
306.07214	2.3
317.06598	5.9
329.08713	6.4
331.04572	36.8
332.04938	3.8
333.06079	5.9
335.07761	13.9
349.05637	7.3
355.06723	16.6
356.06924	2.0
361.05664	8.0
379.61176	1.8
407.09824	3.0
423.09143	4.5
425.10724	8.8
433.07846	2.9
451.08798	100.0
452.09415	7.4
469.09851	44.5
469.16592	1.5
470.10126	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	467.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
59.01374	3.1
60.99305	1.3
61.98821	2.5
67.01883	3.4
69.03462	1.2
69.54909	7.1
71.01376	3.1
81.03458	1.0
83.05035	3.2
85.02946	8.3
87.00870	6.1
93.03461	28.6
109.02925	2.4
111.04536	7.6
119.05022	3.3
127.04028	1.5
131.65567	1.0
137.02403	2.7
137.50250	0.9
139.25635	1.0
142.50459	0.9
146.03758	1.9
148.05344	1.1
155.03506	3.7
156.05774	1.0
158.03735	9.9
159.04503	10.7
163.04028	5.0
172.05290	3.5
173.04578	34.6
173.06044	6.4
174.03055	1.0
174.06831	4.5
175.07532	2.6
176.04764	2.4
177.09204	2.8
185.05820	1.0
187.03967	3.2
187.07634	37.8
188.07990	1.5
191.05608	95.2
192.05954	3.4
201.05513	2.0
202.06355	10.2
203.06902	1.2
203.10739	8.7
205.08670	1.6
209.02946	1.2
213.09204	5.4
215.06989	2.4
216.07880	1.2
224.73293	0.9
231.06714	1.9
231.10255	29.5
232.10510	2.0
249.11256	4.0
257.08246	7.6
275.09238	100.0
276.09555	6.2
293.10349	11.6
313.40570	1.1
337.58850	1.2
352.79977	1.1
449.14551	36.4
450.14755	3.8
467.08765	2.0
467.15552	32.0
468.15823	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	467.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76290	0.3
57.03451	3.1
59.01381	4.6
60.64456	0.3
60.99280	0.5
61.98840	2.3
63.02381	0.7
67.01890	1.2
69.03446	0.5
69.21313	3.3
71.01376	2.1
72.99302	0.4
73.02956	0.9
83.01376	0.6
85.02953	4.8
87.00875	1.6
89.02447	0.7
89.14346	0.4
93.03461	11.0
95.05035	0.5
96.95995	0.6
97.02979	0.4
99.00879	0.4
101.02445	1.3
106.04224	0.4
107.05075	0.4
109.02940	0.5
111.00877	0.7
111.04511	1.8
113.02472	1.6
119.05028	2.5
121.02959	0.7
123.04540	0.8
124.01662	41.0
125.01934	0.8
129.01920	1.2
129.05615	0.4
133.02963	1.3
134.03755	5.9
135.04588	2.9
136.01707	0.4
137.02457	5.4
139.04013	100.0
140.04375	2.2
147.03050	0.4
150.03149	0.4
151.03979	0.6
155.03473	0.9
161.02451	0.4
161.04527	2.1
163.04010	3.5
167.03500	0.8
172.23552	0.4
173.04543	13.5
177.01884	1.9
178.02728	4.4
179.03572	2.0
181.05052	0.5
183.10263	9.8
184.10617	0.4
191.05589	3.7
203.10844	1.0
212.32347	0.4
217.16026	0.6
223.06056	0.6
225.90701	0.4
231.10242	0.6
248.09987	0.4
261.14975	1.4
262.23404	0.4
263.12970	0.5
275.09344	1.7
283.08157	0.7
285.04434	0.4
293.10364	3.9
301.09460	0.5
302.15228	0.4
305.13681	0.6
327.14462	0.5
338.96552	0.4
348.93524	0.4
370.09045	0.9
449.14539	3.1
450.14911	0.4
467.14801	5.4
480.59329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10701	0.9
53.09805	0.9
55.33330	0.8
57.03444	4.1
59.01384	2.1
60.55994	0.8
61.98837	2.4
69.03457	12.0
70.06013	0.8
71.05026	2.5
71.54159	1.0
78.95906	1.1
85.02966	0.8
111.08172	3.0
112.79409	0.9
113.06133	2.1
139.11298	15.6
163.73442	0.8
183.10263	100.0
184.10587	3.1
201.90860	0.8
277.28409	0.8
283.11823	1.7
287.75772	1.0
301.13074	1.1
304.49701	1.0
467.22986	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	468.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06223	0.2
59.01382	3.3
61.98833	100.0
69.84661	1.1
71.01382	1.0
73.02952	0.4
85.02956	0.4
88.98814	0.2
89.02459	0.7
96.95396	0.3
96.96021	6.8
98.95630	0.6
101.02451	0.5
103.00413	0.3
113.02467	0.7
114.05616	0.3
117.68330	0.2
123.04548	0.6
124.01610	0.3
125.02441	0.2
139.04041	0.6
140.04387	0.3
161.04503	0.3
167.03543	0.5
183.02699	0.3
206.08601	0.3
222.99237	0.3
233.81834	0.2
241.00349	0.7
242.00612	0.6
284.01599	0.3
307.08679	0.5
379.90057	0.2
381.05075	0.3
382.05606	0.9
405.17618	5.3
406.17935	0.3
424.06140	2.1
468.05740	1.1
468.11417	0.3
468.18683	0.3
469.13861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01384	10.7
61.98827	6.2
67.01899	1.2
69.03455	1.3
70.51105	2.0
71.01379	7.3
73.02953	1.3
78.67828	1.0
79.87141	0.8
81.03455	9.3
83.01382	5.6
85.02954	7.4
87.00902	1.5
88.71417	0.8
88.98800	1.1
89.02450	4.3
93.03455	9.0
95.01389	1.3
95.05033	6.8
96.96019	23.5
97.02954	2.9
97.06575	1.7
99.00861	1.6
99.04563	1.7
101.02430	5.3
109.02961	3.1
111.00935	1.2
113.02453	3.3
121.02927	1.2
121.05080	1.4
123.04536	13.4
123.08162	2.1
125.02457	20.7
127.00564	0.9
131.03539	5.9
134.03738	2.7
134.40315	0.9
135.04514	3.8
137.02440	11.6
137.06071	8.0
139.04041	3.6
139.09428	0.9
139.11293	16.5
148.29819	1.1
149.02431	1.3
149.06049	1.4
151.00392	5.8
151.04031	3.9
151.07558	1.1
155.03540	1.1
163.00375	7.5
165.05571	3.6
167.03496	29.3
168.03775	1.3
169.01431	3.5
170.91833	1.0
173.04541	6.4
174.93059	0.9
175.02457	2.2
177.01970	1.4
179.03471	8.1
181.01416	5.3
191.03642	1.2
191.05643	4.5
193.01396	1.2
193.05078	8.2
199.19203	1.0
201.11322	12.1
205.01369	1.1
205.80945	1.0
209.04549	100.0
210.04871	4.2
221.02396	2.0
221.04546	36.3
231.10191	1.2
239.05635	11.5
241.00142	2.1
251.05655	5.3
263.05597	1.3
287.05499	2.4
287.16534	1.7
293.10345	3.1
305.23587	1.2
329.08740	28.8
330.09204	1.4
331.06750	14.1
341.08737	27.6
342.09146	1.3
343.06595	2.4
347.07813	1.9
449.14514	1.4
467.12054	33.9
467.21585	27.9
467.28806	4.0
468.12076	1.9
468.21939	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	466.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35283	0.2
51.46141	0.3
59.01376	1.3
61.98827	100.0
71.01407	0.3
83.56604	0.3
87.43957	0.2
89.02453	0.5
90.03837	0.3
98.69747	0.3
212.20930	0.2
229.38792	0.3
248.03886	0.7
403.18228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.0
60.01694	0.4
61.98829	100.0
69.81164	1.4
71.01376	0.5
80.49298	0.2
89.02438	0.6
121.57658	0.3
125.02409	0.3
139.52646	0.3
191.05565	0.5
192.01266	0.6
248.03859	2.0
292.02896	0.7
315.06976	0.3
368.29276	0.3
408.02002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01915	0.9
57.03434	2.1
59.01382	5.3
60.29776	0.9
61.45581	1.0
61.98827	4.9
62.31892	0.7
67.01889	2.8
68.07040	0.7
69.03445	0.9
70.49931	0.7
71.01373	4.5
71.55316	1.0
73.02953	0.8
83.01385	1.4
83.05023	1.1
85.02950	7.9
87.00883	2.6
89.02462	1.4
93.03465	15.8
94.45816	0.8
96.96064	1.3
97.06600	1.3
99.04510	1.4
101.02439	2.4
104.07892	0.8
107.01385	1.4
108.02158	1.0
109.02952	1.6
111.00910	3.0
111.04508	4.2
113.02421	1.1
119.05038	3.2
121.03009	1.9
123.04530	2.8
124.01608	0.9
125.02467	7.9
129.01973	1.5
129.05571	1.0
131.54745	0.8
133.02948	3.0
134.03746	10.3
135.04532	4.9
137.02441	6.6
145.02931	1.2
149.02455	0.9
152.01106	1.7
153.01941	1.2
155.03477	1.2
161.02451	1.5
163.00424	1.2
163.03975	2.6
165.01898	0.9
167.03496	6.2
169.01353	0.9
169.06506	1.0
170.89944	0.9
173.00951	1.5
173.04556	20.3
173.06021	1.5
177.01985	2.5
178.02716	7.1
179.03510	5.1
183.06630	1.1
185.06030	1.3
187.04033	1.2
189.05582	1.1
191.05627	3.4
192.56062	0.8
199.09735	1.8
201.05623	1.0
207.36301	0.8
211.04005	1.3
213.05557	1.5
219.05048	1.0
225.35744	0.8
227.03490	30.2
228.03925	1.6
229.05031	5.6
231.10297	1.2
241.04916	1.1
255.00224	1.6
255.02971	44.8
256.03650	6.3
257.04565	3.3
267.05096	3.5
275.09235	3.8
284.03256	56.2
285.04019	68.3
286.04388	4.1
293.10324	9.6
350.18829	1.6
431.09805	100.0
432.10162	10.5
449.14502	3.3
467.15375	9.5
468.17471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.3
59.01378	3.7
60.01719	0.3
61.98829	100.0
67.01885	0.4
71.01385	1.3
71.53587	0.3
72.01707	0.3
75.00842	0.6
78.95903	0.6
85.02937	1.3
86.03284	0.3
87.00880	1.3
89.02457	0.8
93.03458	2.7
94.03820	0.3
96.96010	5.1
98.02435	0.4
98.95599	0.8
101.02420	0.7
102.98602	0.4
111.04536	0.7
113.02426	0.3
125.02478	0.3
129.02008	0.3
137.00691	0.4
141.95464	0.3
144.23544	0.3
146.02519	0.6
148.02339	0.4
150.00224	0.7
163.99399	1.9
164.01694	1.4
165.00153	3.1
173.04541	2.7
177.99690	4.3
187.07671	0.4
191.00455	3.4
191.01891	0.3
191.05600	8.1
192.01242	18.6
192.05963	1.1
193.01456	0.4
204.01212	1.1
205.01968	1.2
210.05560	0.8
218.99684	0.3
231.10400	0.3
248.03845	38.7
249.04167	2.1
274.01813	1.7
274.07956	0.4
275.09210	0.9
292.02835	15.5
293.03067	0.7
304.05371	0.5
313.92050	0.3
407.22702	0.7
448.06943	0.8
449.14615	0.5
466.08066	15.5
467.08163	1.1
467.15491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2492
Annotation	CHEBI:83024
Peak:m/z	Relative Intensity
55.01871	1.7
57.03439	2.0
59.01379	17.9
61.98821	4.0
69.03487	0.7
71.01383	14.1
71.54175	1.0
72.99311	3.8
73.02944	5.6
75.00869	0.7
78.95904	1.9
83.01384	4.8
83.26131	0.5
85.02950	8.2
86.00087	2.8
87.00892	3.6
89.02450	4.0
93.03456	2.0
93.17298	0.7
95.01371	1.6
96.56384	0.7
97.02959	0.9
99.00888	4.0
101.02444	11.8
111.00884	6.5
113.02473	6.2
119.03481	1.4
129.01932	2.2
131.28854	0.7
132.05786	1.4
133.06520	0.9
137.02405	3.5
141.01926	4.6
144.05801	0.9
146.07373	5.3
147.08046	1.0
152.99622	1.7
159.03038	1.5
160.13153	0.7
164.04782	1.5
173.04475	1.0
176.04915	0.7
178.06339	4.6
255.17490	3.8
257.19189	1.3
267.17438	3.2
273.03073	0.9
273.18610	9.6
285.18594	23.9
286.19055	1.9
287.20166	40.5
288.20453	2.4
329.21155	2.1
357.20544	0.8
416.28616	0.9
435.23853	27.5
436.24423	3.3
447.23871	100.0
448.24216	10.9
465.09317	1.4
465.19098	0.7
465.25122	13.3
466.24933	1.9
492.93362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24173	0.3
57.03434	0.3
59.01378	18.6
59.69845	0.5
60.01728	0.8
60.99308	0.5
61.98829	100.0
62.52380	0.3
65.99847	0.5
67.01884	1.3
69.03456	0.6
71.01379	4.2
73.02959	0.5
75.00872	1.5
78.45724	0.4
78.95914	1.0
81.03458	0.8
83.01378	0.5
84.39742	0.4
85.02956	3.3
87.00876	4.5
87.04516	0.5
89.02442	3.5
93.03463	6.8
96.96011	5.6
96.96970	1.0
98.02493	0.5
99.00873	0.4
101.02455	2.6
102.24347	0.4
102.98643	0.6
109.01153	0.5
111.04539	1.4
113.02441	1.8
114.02780	0.4
119.03493	1.4
125.02434	0.8
126.02724	0.4
127.04036	0.4
129.01947	0.8
136.02237	0.5
137.00630	1.1
146.02512	1.9
147.02914	0.6
148.02275	0.6
150.00197	1.5
155.03525	0.8
159.03093	0.7
161.04568	1.9
162.98627	0.4
163.03952	0.5
163.99394	5.7
164.01720	3.8
165.00150	8.4
166.00436	0.4
173.04518	5.9
177.00162	1.1
177.99670	9.8
179.00366	0.9
179.05600	0.9
186.05576	0.4
187.07614	0.4
189.99522	0.5
190.00993	0.9
190.05099	0.5
191.00449	9.4
191.01904	0.5
191.04282	0.5
191.05605	19.4
192.01237	45.6
192.05927	2.0
193.01627	2.1
204.01247	3.6
205.02034	2.3
208.05919	0.4
210.05544	2.1
218.00415	0.5
220.04356	0.5
230.02859	1.0
242.14874	0.5
243.15160	0.4
248.03851	100.0
249.04189	5.4
273.08023	0.4
274.01788	5.0
274.07919	1.0
275.09290	0.6
292.02844	41.6
293.03214	2.8
317.15842	1.9
318.16544	0.9
405.21265	1.3
406.21646	0.6
407.22818	1.5
448.07050	3.3
449.14285	0.5
458.69858	0.4
466.08072	41.8
467.08469	4.6
467.15237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01954	0.9
57.03511	0.9
58.00660	0.4
58.44773	0.3
59.01136	1.3
59.01463	8.1
61.98915	1.5
64.30828	0.3
69.03504	0.3
71.01040	1.1
71.01478	8.8
71.05107	0.4
71.55407	0.4
72.99400	0.7
73.03046	2.4
75.00970	0.5
83.01493	2.0
85.02509	0.5
85.03060	5.9
87.00991	1.4
89.02565	1.2
93.03568	1.8
95.01468	0.6
96.96135	1.8
97.03026	0.4
99.01003	1.1
99.04616	0.4
101.02446	4.8
106.04327	0.6
108.02274	0.9
109.03020	0.7
111.01004	0.9
112.01817	0.4
113.02451	1.9
115.04168	0.4
119.03608	0.4
119.05097	0.8
121.03032	0.7
122.72958	0.3
123.04583	0.5
124.01784	1.5
125.02570	1.0
129.02017	0.9
130.08859	0.3
131.74913	0.3
133.03030	0.5
133.05203	0.6
134.03853	1.0
135.04526	12.3
136.04961	0.8
137.02457	3.6
138.08490	0.3
139.04095	0.5
139.11357	0.7
141.12856	5.4
142.13251	0.4
147.04640	0.9
149.02483	0.4
150.03313	0.6
151.00533	0.3
151.04027	1.9
155.10977	0.4
159.03078	0.4
161.02536	0.5
161.04608	0.4
161.06189	0.8
163.04054	0.5
164.04807	0.3
167.03488	0.5
169.12421	0.9
172.01668	0.3
173.04501	2.4
177.02025	0.7
178.02728	0.5
179.03516	3.1
180.04396	0.4
185.11929	0.5
185.71310	0.3
187.13380	32.9
188.13878	1.0
189.02077	0.9
189.05737	0.5
191.02060	0.9
191.04091	0.5
191.05568	2.2
199.13510	0.4
201.11356	0.8
202.02637	0.7
214.02843	0.5
215.14409	0.8
217.01552	0.5
230.02310	0.8
237.09862	0.5
241.00317	0.9
243.02942	0.5
255.03151	0.4
258.01712	1.6
259.13388	1.3
272.03082	0.4
286.01102	3.4
287.01889	1.4
292.15625	0.9
299.05826	0.6
301.03455	0.7
302.03482	1.3
303.04080	0.7
303.09030	0.5
303.12488	0.6
303.15948	0.4
308.09100	0.7
314.00708	2.8
315.01419	0.7
329.02939	5.8
330.03671	2.0
331.04340	0.6
331.17630	3.5
341.06644	0.4
349.18637	100.0
350.18988	6.7
351.07211	0.4
355.08151	0.5
433.05893	0.5
465.09149	1.3
465.23187	33.5
466.18195	0.3
466.23758	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20307	0.8
55.01868	1.3
57.03450	3.0
59.01379	100.0
60.01720	0.7
69.03453	9.3
71.01386	12.9
71.53421	1.3
72.99321	1.3
73.02944	3.5
80.70642	0.9
83.01407	2.1
85.02943	6.9
87.00880	0.9
87.04534	2.7
89.02447	5.2
93.03498	0.9
99.00911	2.2
101.02446	10.6
102.98586	4.2
113.02448	5.1
119.03510	1.8
119.05107	0.8
125.02439	7.7
139.07739	0.8
147.10461	0.7
151.00400	0.9
153.01912	0.7
155.10832	2.6
161.04538	3.7
175.04062	2.0
177.01991	1.1
178.99944	1.4
191.05579	2.4
217.05032	0.9
241.05078	0.7
243.16002	34.2
244.16505	2.7
285.04077	4.8
303.05124	3.8
391.14169	2.2
405.21283	81.7
406.21661	7.2
449.20459	1.9
465.10156	4.8
465.27863	1.0
466.11224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
59.01377	100.0
60.01715	1.0
61.98503	0.7
61.98826	13.0
69.03458	0.6
69.21867	1.4
69.22265	3.1
71.01378	12.2
72.12823	0.4
73.02935	2.3
73.16361	0.4
81.03444	4.4
83.01395	2.0
84.81432	0.5
85.02937	3.7
87.00886	1.5
87.04527	1.8
89.02444	10.9
93.03467	2.1
95.01405	1.3
95.05035	2.4
97.02950	1.1
98.54708	0.4
99.00934	0.5
99.04514	4.5
101.02431	7.5
102.98615	1.4
109.02949	2.4
111.04552	1.7
113.02444	5.9
117.05913	0.5
119.03500	5.3
120.03824	0.5
123.04510	2.3
125.02441	9.2
125.03304	0.6
127.04033	0.6
133.02959	3.3
135.04521	0.6
137.02470	2.3
138.94141	0.5
139.04051	0.9
143.03513	1.0
145.05161	0.7
147.04495	0.5
153.09219	0.7
161.04543	5.7
163.03996	0.8
165.02014	0.8
167.03484	35.2
168.03838	0.7
172.05327	1.3
173.04541	6.7
173.05927	0.8
174.03212	2.6
175.03987	1.3
177.01956	1.7
177.99750	0.7
179.05600	3.1
189.05630	1.6
191.00478	0.7
191.03857	0.4
191.05611	11.9
191.07364	0.6
192.01218	2.8
193.01424	1.4
197.04564	5.5
200.04834	0.7
201.09229	0.7
209.04668	1.2
211.07506	0.6
229.08727	3.6
235.02490	6.0
243.15955	2.5
247.09744	2.6
248.03879	8.1
255.06708	0.7
265.03583	1.5
273.07635	6.6
273.10153	0.6
287.07715	3.1
291.08862	0.7
292.03024	1.7
303.08713	2.3
317.16025	6.4
336.69315	0.5
345.06131	11.9
346.06622	0.9
374.13037	0.5
375.07175	0.8
405.21271	23.9
406.21661	1.4
465.23376	3.7
466.08514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.5
59.01388	1.4
61.98814	0.4
64.23500	0.2
65.03957	0.8
71.01382	0.5
83.01390	0.2
85.02948	1.2
89.02436	0.3
93.03457	58.3
94.03788	1.5
96.95972	0.2
98.20664	0.5
99.00933	0.3
99.20084	0.2
101.02443	0.3
108.18645	0.2
121.02969	0.4
125.06062	0.2
129.01953	0.3
134.03725	0.2
135.04521	0.4
137.02443	100.0
138.02768	2.7
140.03381	0.2
145.02985	0.2
161.04694	0.2
163.04007	0.5
183.10249	1.6
221.48262	0.2
250.61499	0.2
259.17084	0.7
261.15005	0.8
303.16043	1.5
385.76755	0.2
465.17380	2.3
465.27350	0.4
466.17667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
57.03451	4.6
59.01378	49.2
61.98833	4.9
62.67314	0.6
64.40584	0.6
69.03454	14.1
70.03998	1.7
71.01383	15.1
73.02953	3.9
78.95871	1.8
81.03477	1.5
83.01349	1.6
83.05006	0.8
85.02942	8.5
87.04511	7.8
89.02445	4.8
92.32019	0.7
93.03459	1.4
93.93355	0.7
95.01392	0.8
96.96012	7.7
96.96968	1.9
99.00848	1.8
101.02435	9.5
102.98603	1.6
106.61463	0.6
113.02457	6.0
115.49876	0.6
119.03525	1.3
125.02466	2.1
134.95889	0.8
139.07643	1.5
142.08968	0.7
148.95253	0.8
153.09172	0.9
155.10762	5.2
159.02953	1.8
160.14456	0.6
161.04550	14.0
163.99402	1.2
165.00139	1.1
167.03513	4.1
171.09207	0.7
173.04536	2.1
174.03166	1.5
175.04028	2.5
177.99600	0.9
179.05634	1.1
181.01506	0.8
189.05550	1.8
191.00453	1.4
191.05620	10.9
192.01306	5.5
197.04555	0.9
199.07793	0.8
200.04877	1.0
203.07108	0.8
207.13797	1.2
210.45557	0.7
225.14810	1.2
229.08716	4.2
235.02548	1.1
243.16005	100.0
244.16469	5.5
247.09717	2.5
248.03856	19.5
273.07678	10.1
292.02811	6.3
345.06015	0.9
405.21292	11.7
465.15265	1.0
465.23682	0.9
466.08267	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1402
Annotation	TERNSTROSIDE D
Peak:m/z	Relative Intensity
52.37868	0.4
55.17139	0.4
58.70994	0.4
59.01379	2.3
61.98827	0.8
71.01385	1.8
71.54743	0.4
73.02966	0.5
79.05533	5.0
81.03458	3.3
81.95337	0.5
83.01427	0.6
83.41051	0.4
85.02957	1.8
85.55087	0.4
89.02440	0.6
93.03454	2.3
95.01411	0.5
96.96018	0.9
101.02433	1.3
105.03469	1.3
107.05032	0.8
113.02453	0.7
119.05013	0.5
121.02942	0.6
122.03767	1.0
123.04528	84.5
124.04860	2.4
135.04529	58.3
136.04886	1.7
149.02435	14.9
149.06065	1.9
152.33194	0.5
161.00859	0.4
165.05583	0.9
167.02167	0.9
167.03496	11.7
173.04521	0.5
177.01973	0.5
177.05598	1.0
179.03496	23.2
180.03947	1.0
183.38997	0.4
185.11882	1.0
191.03496	1.1
209.04463	0.7
213.12160	0.4
221.04671	0.9
228.88144	0.4
239.07201	3.8
241.08690	3.2
259.09738	0.8
271.02509	0.8
273.03275	0.6
285.07709	9.1
301.03391	0.7
302.03516	0.8
303.08807	1.3
304.09094	0.6
329.08771	36.8
330.05710	0.5
330.09201	1.9
341.08768	5.7
447.07126	0.8
450.90350	0.6
465.14035	100.0
466.14374	10.0
466.20837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01466	1.4
55.68055	1.4
58.00599	2.1
59.01381	10.7
61.98835	10.7
71.01382	5.0
71.20267	2.4
72.99358	1.3
73.02943	2.3
79.32122	1.5
83.01408	2.8
85.02927	6.7
87.00873	6.0
88.98801	1.6
89.02464	3.9
93.03420	2.0
96.96011	7.0
96.96981	1.4
97.02949	2.0
98.52854	1.5
101.02449	4.7
108.02172	1.5
125.02467	9.3
135.04533	2.0
137.02411	6.0
139.03978	2.4
147.04462	1.6
149.02385	3.5
151.03946	2.2
157.70775	1.5
161.02415	2.6
161.04532	4.6
164.01097	3.3
164.07156	4.7
165.01935	26.0
166.02660	1.7
167.03474	1.7
173.04645	2.1
175.03989	3.0
177.01944	11.5
179.03503	52.0
180.04277	29.0
181.04616	2.2
191.05606	18.8
192.04315	4.6
193.05153	1.7
194.05838	19.7
195.06628	100.0
196.06989	4.5
210.05330	4.0
225.07680	36.6
241.04990	3.0
285.04089	8.7
303.05219	3.1
303.08719	11.9
353.08887	4.1
357.11874	34.1
358.12268	1.7
461.81540	1.6
465.09988	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	465.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
59.01389	1.7
60.25902	0.2
61.98826	1.1
62.40016	0.2
65.03962	0.4
67.01899	0.3
68.94965	0.2
69.03461	1.1
70.20668	0.8
71.01383	0.9
73.02943	0.4
78.91890	1.1
80.02698	0.3
81.03443	1.1
83.00948	0.3
83.01385	1.7
85.02540	0.3
85.02951	1.5
87.00927	0.2
88.32394	0.2
93.03468	1.3
95.01393	0.8
95.05029	3.7
96.96012	3.5
97.02952	21.1
98.03786	0.4
101.02426	0.8
107.05007	0.5
108.02175	2.1
109.02975	1.6
111.04541	0.5
117.03402	0.3
121.02950	3.7
122.03739	8.7
123.00843	0.6
123.04550	3.7
124.01651	1.4
125.02442	2.3
133.03018	0.4
134.03770	0.6
135.04524	1.2
136.01666	0.3
137.02446	10.2
137.06108	0.3
138.03236	3.2
138.98717	0.3
139.04022	3.7
145.02893	0.5
148.01692	2.2
149.02434	1.6
149.06032	0.3
150.03276	1.4
151.00340	0.7
151.04018	1.1
153.01941	0.5
153.05589	1.1
154.02693	0.7
158.03693	0.3
159.04510	0.8
160.05289	0.9
161.02431	1.5
162.03255	1.4
163.04025	3.5
164.01131	1.4
165.01929	6.3
165.05605	0.6
166.02713	3.1
167.03458	0.8
172.05386	0.3
173.04698	0.3
173.06067	0.9
175.04051	0.5
176.04790	0.9
177.01990	0.7
177.05580	0.3
178.30078	0.2
179.03471	1.7
179.07230	0.4
186.03166	0.5
187.03972	0.3
189.01930	0.5
190.02701	1.0
191.01935	0.4
191.03670	0.5
191.05614	1.8
193.05051	0.4
197.26732	0.2
199.07629	0.3
200.04665	0.4
201.05566	2.7
202.06337	3.4
203.03551	0.4
204.04294	4.7
215.06999	0.8
216.07875	0.2
217.08690	3.4
217.10645	0.3
219.06615	4.7
220.03906	0.5
220.07402	9.1
221.07779	0.3
225.05414	0.3
225.88748	0.3
226.06277	0.8
227.03360	0.4
229.04961	0.6
232.07433	0.3
235.09747	5.0
241.04980	0.3
242.05843	0.5
243.06609	0.8
244.07390	7.7
245.07950	0.5
246.05257	0.6
259.09708	3.6
261.07657	1.5
269.04547	1.0
270.05286	2.0
270.89395	0.3
271.05936	0.2
285.04385	0.4
285.07642	7.3
286.08075	0.4
288.06296	0.9
297.06384	0.3
303.08728	100.0
304.09058	7.4
325.88083	0.3
327.08719	11.2
328.09027	0.5
334.22311	0.2
357.09796	1.3
367.10446	0.5
369.09808	0.6
405.21432	0.4
421.11380	1.0
465.14023	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	465.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01382	4.3
61.98822	0.7
67.01868	0.3
69.03447	1.1
71.01373	1.1
71.22100	0.5
73.02930	0.3
79.95765	0.3
80.02654	0.5
81.03455	1.4
83.01392	1.7
85.02946	1.3
89.02441	1.0
93.03465	0.7
95.01381	0.7
95.05032	4.4
96.96022	2.2
97.02951	19.9
98.03240	0.5
99.04526	0.5
101.02429	1.1
101.40105	0.3
107.05011	0.6
108.02182	2.7
109.02959	2.2
113.02452	0.5
121.02953	3.2
121.49294	0.3
122.03749	6.4
123.00894	0.6
123.04543	3.2
124.01663	0.9
125.02429	2.5
129.01909	0.4
134.03703	0.3
135.04544	1.3
137.02446	11.1
137.06064	0.3
138.03268	2.5
139.04037	4.0
145.02934	0.5
147.04578	0.3
148.01683	2.0
149.02400	1.5
149.06088	0.4
150.03178	0.8
151.03969	1.0
153.01897	0.3
153.05597	1.5
154.02710	0.5
157.19562	0.3
159.04538	0.5
160.05328	0.9
161.02475	1.9
162.03220	1.4
163.00340	0.3
163.04053	3.2
164.01149	1.2
164.04767	0.4
165.01939	6.0
165.05536	0.6
166.02730	2.6
167.03464	1.1
173.06082	0.8
175.04120	0.3
176.04733	0.7
177.01904	0.9
177.05531	0.6
179.03474	1.6
179.05461	0.3
186.03244	0.3
187.04004	0.7
188.01219	0.5
189.01924	0.8
190.02673	1.1
191.03415	0.5
191.05592	0.9
197.04565	0.4
199.07578	0.3
200.04739	0.4
201.05562	2.9
202.06369	3.3
203.03540	0.6
204.04266	3.6
215.07106	0.8
217.05267	0.4
217.08704	3.4
219.06615	4.7
220.03966	0.3
220.07381	8.7
221.99287	0.3
225.05496	0.4
226.06349	1.2
227.03555	0.4
229.04990	0.5
235.09732	4.7
241.00223	0.3
241.05055	0.7
241.08792	0.5
242.05876	0.4
243.06573	0.5
244.07402	7.2
244.09879	0.5
245.07719	0.5
246.05238	0.4
248.03755	0.4
253.05028	0.3
259.09744	3.6
261.07715	1.6
269.04614	0.6
270.05334	2.2
285.04507	0.3
285.07666	7.2
286.08038	0.6
288.06476	0.7
303.08737	100.0
304.09070	6.8
312.06540	0.3
327.08728	10.6
328.09006	0.7
345.09903	0.3
357.09766	1.4
379.06921	1.1
405.21396	0.5
421.08127	0.7
438.58170	0.3
465.07501	0.2
465.14688	2.0
465.24005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09919	1.8
59.01376	14.0
60.43335	1.6
61.98835	5.2
68.71188	1.6
71.01373	8.4
73.02956	2.9
80.02747	2.1
81.03462	5.3
83.01406	10.2
85.02956	9.1
89.02456	1.7
91.48840	1.8
93.03469	6.0
95.05035	7.5
96.96025	1.8
97.02967	2.5
99.04520	9.0
101.02470	4.0
108.02171	3.5
109.02949	4.3
113.02471	2.5
119.05016	2.7
121.02979	4.1
121.06580	2.9
123.04543	24.6
125.02449	16.1
130.65341	1.8
133.02916	1.8
134.03699	3.9
135.04575	8.5
135.08191	2.5
137.02467	14.9
137.06094	10.5
139.03995	7.4
149.02443	3.4
149.04715	1.9
149.06056	4.0
151.04012	7.7
151.07637	6.2
152.04788	8.9
152.16963	2.4
161.02371	2.0
163.07626	2.7
164.04829	2.9
165.01872	2.7
165.05569	3.6
167.03488	59.8
168.03760	3.1
173.04543	2.5
177.01976	3.0
177.05533	4.7
179.03506	31.4
181.05017	2.8
183.10240	2.1
184.03755	4.2
189.01912	4.3
190.02650	2.4
191.03511	7.6
191.05547	2.4
191.10760	5.6
193.05051	16.1
197.04556	3.2
209.04558	83.2
210.04956	3.6
217.01492	3.3
219.02982	2.1
221.04556	72.2
222.04765	2.7
229.15965	8.3
229.52786	2.1
233.04515	2.6
239.05605	40.3
251.03230	2.9
251.05623	30.3
259.17020	49.2
260.17670	2.0
281.06665	2.3
285.04004	1.9
289.18030	3.4
303.08804	4.3
303.16013	93.6
304.16254	4.1
311.07660	2.5
333.16965	8.5
334.39297	2.0
341.06305	3.7
345.09775	100.0
346.10095	4.5
355.08188	5.0
357.09714	3.4
375.10867	47.1
376.11130	3.3
447.13034	6.7
465.14389	27.7
465.20895	3.2
466.13788	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	465.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
59.01382	37.1
61.98830	24.2
67.01891	2.0
69.03442	1.4
71.01384	14.4
71.54279	1.6
73.02946	2.5
77.34171	1.0
78.95902	13.6
79.95740	2.5
81.03452	3.1
83.01376	2.0
83.05015	1.2
83.72748	1.1
83.81877	0.9
84.25501	1.0
85.02953	11.8
87.00877	4.1
87.04520	2.0
89.02448	12.2
93.03468	8.9
95.01353	1.2
95.05011	1.7
96.96014	100.0
96.96941	23.8
99.04531	3.6
99.99043	1.1
101.02429	8.6
102.98597	7.1
104.62778	1.2
109.02942	4.5
111.04510	4.6
113.02427	4.9
119.03477	6.1
119.04935	1.4
123.04522	2.7
125.02432	18.8
127.04021	2.9
129.01866	1.7
133.02991	1.8
135.04504	1.8
137.02446	3.1
139.03954	1.1
143.03519	1.8
146.03741	2.3
147.04514	5.2
148.91557	1.1
149.02423	2.4
151.00366	5.2
153.01920	4.3
155.03508	3.5
161.02386	1.8
161.04558	5.7
161.05930	1.7
165.00151	2.3
167.03491	18.7
171.04489	2.1
172.05296	9.3
173.04539	12.8
173.06046	5.8
174.03232	13.6
175.03981	17.6
175.07619	1.2
176.04607	1.5
177.01921	1.9
177.99672	1.4
179.03493	1.2
179.05603	4.0
181.01384	1.7
187.04033	5.9
188.04736	3.3
189.05553	13.3
191.00426	1.6
191.05603	61.3
192.01262	8.0
192.05969	4.0
197.04512	2.6
199.03960	2.9
199.07643	2.1
200.04727	3.3
201.09200	1.7
203.07137	2.6
204.04243	2.6
211.07594	3.6
215.03482	1.5
219.06723	1.7
223.20656	1.1
229.08690	36.2
230.09001	1.5
231.06509	2.3
235.02412	3.1
243.16005	4.4
245.07935	1.7
247.09734	18.6
248.03842	22.2
256.71225	1.0
259.02258	2.4
271.06204	2.3
273.07666	86.0
274.07999	6.0
274.10635	1.2
275.05679	2.4
285.03961	5.7
287.07813	1.2
291.08832	6.0
292.02838	11.8
303.05057	8.9
303.08563	2.4
345.06320	5.2
375.07324	1.0
405.21265	17.4
447.13214	2.4
465.14209	2.4
465.19769	1.4
466.07880	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
61.98817	0.7
63.20061	0.3
66.28951	0.2
69.03436	1.1
70.09671	0.5
70.10065	0.6
71.01363	0.8
73.02919	0.3
73.57060	0.3
78.91892	0.8
79.95740	0.2
80.02679	0.7
81.03449	1.1
83.01386	1.1
85.02945	1.7
87.00901	0.5
89.02438	0.4
93.03473	1.2
95.01381	0.7
95.05033	3.3
96.96010	2.8
97.02948	19.3
98.03263	0.4
101.02421	0.3
107.05012	0.4
108.02177	2.2
109.02970	1.8
111.04514	0.5
113.02390	0.3
119.04992	0.3
121.02952	3.4
122.03743	7.7
123.00876	0.8
123.04553	3.7
124.01644	1.0
125.02455	2.5
129.01944	0.3
134.03683	0.3
135.04521	1.4
137.02448	10.4
137.06064	0.5
138.03259	2.7
139.04015	4.1
145.02997	0.6
145.05176	0.3
146.41846	0.2
148.01700	2.1
149.02403	1.5
150.03226	1.1
151.00308	0.5
151.03963	1.1
152.01143	0.6
153.01904	0.7
153.05603	1.2
153.09122	0.2
154.02705	0.8
159.04535	0.8
160.05280	0.7
161.02443	1.9
162.03178	1.1
163.04008	3.2
164.01190	1.2
164.04607	0.4
165.01921	6.4
165.05551	0.9
166.02687	2.7
167.03467	0.9
173.04597	0.3
173.06064	0.7
174.04918	0.2
174.06837	0.3
175.04012	0.8
176.04718	0.8
177.01892	1.0
177.05524	0.6
177.25945	0.2
179.03539	2.0
186.03220	0.6
187.04025	0.4
188.01158	0.4
189.01924	0.6
190.02745	0.9
191.01965	0.5
191.03535	0.6
191.05573	1.7
191.07085	0.4
199.07637	0.3
201.05582	2.5
202.02724	0.3
202.06343	3.9
203.03505	0.6
203.06721	0.5
204.04269	3.7
205.04707	0.3
215.07133	0.7
216.04335	0.3
216.07956	0.4
217.08717	3.8
217.10782	0.4
219.06604	4.6
220.07404	8.4
221.07709	0.4
225.05591	0.4
226.06335	0.7
229.05040	0.5
235.09741	5.2
241.08755	0.4
242.05667	0.3
243.06624	0.4
244.07375	7.4
245.04424	0.3
245.07838	0.5
246.05307	0.7
248.30460	0.2
253.04941	0.4
259.09735	3.1
260.09924	0.4
261.07626	1.6
269.04602	0.8
270.05255	2.6
285.04367	0.3
285.07672	6.8
286.08081	0.5
288.06342	0.6
303.08731	100.0
304.09103	6.4
327.08734	10.8
327.11713	0.2
328.09079	1.1
357.09775	1.6
365.03519	0.2
367.10446	0.6
369.09738	0.5
387.38727	0.3
421.11478	0.4
465.13885	1.5
465.19785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
59.01382	37.1
61.98830	24.2
67.01891	2.0
69.03442	1.4
71.01384	14.4
71.54279	1.6
73.02946	2.5
77.34171	1.0
78.95902	13.6
79.95740	2.5
81.03452	3.1
83.01376	2.0
83.05015	1.2
83.72748	1.1
83.81877	0.9
84.25501	1.0
85.02953	11.8
87.00877	4.1
87.04520	2.0
89.02448	12.2
93.03468	8.9
95.01353	1.2
95.05011	1.7
96.96014	100.0
96.96941	23.8
99.04531	3.6
99.99043	1.1
101.02429	8.6
102.98597	7.1
104.62778	1.2
109.02942	4.5
111.04510	4.6
113.02427	4.9
119.03477	6.1
119.04935	1.4
123.04522	2.7
125.02432	18.8
127.04021	2.9
129.01866	1.7
133.02991	1.8
135.04504	1.8
137.02446	3.1
139.03954	1.1
143.03519	1.8
146.03741	2.3
147.04514	5.2
148.91557	1.1
149.02423	2.4
151.00366	5.2
153.01920	4.3
155.03508	3.5
161.02386	1.8
161.04558	5.7
161.05930	1.7
165.00151	2.3
167.03491	18.7
171.04489	2.1
172.05296	9.3
173.04539	12.8
173.06046	5.8
174.03232	13.6
175.03981	17.6
175.07619	1.2
176.04607	1.5
177.01921	1.9
177.99672	1.4
179.03493	1.2
179.05603	4.0
181.01384	1.7
187.04033	5.9
188.04736	3.3
189.05553	13.3
191.00426	1.6
191.05603	61.3
192.01262	8.0
192.05969	4.0
197.04512	2.6
199.03960	2.9
199.07643	2.1
200.04727	3.3
201.09200	1.7
203.07137	2.6
204.04243	2.6
211.07594	3.6
215.03482	1.5
219.06723	1.7
223.20656	1.1
229.08690	36.2
230.09001	1.5
231.06509	2.3
235.02412	3.1
243.16005	4.4
245.07935	1.7
247.09734	18.6
248.03842	22.2
256.71225	1.0
259.02258	2.4
271.06204	2.3
273.07666	86.0
274.07999	6.0
274.10635	1.2
275.05679	2.4
285.03961	5.7
287.07813	1.2
291.08832	6.0
292.02838	11.8
303.05057	8.9
303.08563	2.4
345.06320	5.2
375.07324	1.0
405.21265	17.4
447.13214	2.4
465.14209	2.4
465.19769	1.4
466.07880	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1036
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
57.03445	0.6
59.01381	5.5
61.16302	0.4
61.78679	0.4
61.98823	1.6
62.89479	0.4
67.01887	1.2
68.99808	0.6
69.03428	0.8
71.01382	5.8
73.02946	2.2
75.78165	0.5
79.01892	0.6
81.03457	2.1
83.01371	1.2
85.02951	5.1
87.00839	0.6
89.02454	1.4
91.01888	1.0
93.03436	1.2
95.01398	2.4
98.19869	0.9
101.02444	3.3
107.01405	2.6
108.02174	68.6
109.02960	37.5
109.04040	0.6
110.03284	1.0
111.00891	2.0
113.02442	2.7
118.99924	0.5
119.89108	0.4
121.02936	1.1
123.00909	3.2
123.04527	6.3
124.01664	0.9
125.02450	1.2
129.01987	0.5
133.02936	0.8
135.00876	1.6
135.04523	1.0
138.03142	0.4
151.00360	3.6
151.04001	1.3
152.01151	81.7
153.01939	40.9
154.02258	1.3
155.10843	0.5
161.02539	0.6
161.04620	0.6
163.03963	1.4
165.01907	1.1
166.02655	1.5
167.03493	15.4
168.03745	0.6
175.03886	0.4
178.99799	0.7
179.03476	0.6
185.11833	0.9
185.14813	0.4
191.01964	0.7
191.05611	1.0
195.02982	1.1
204.51535	0.5
209.04657	0.5
225.04015	0.7
239.05565	0.6
243.15898	1.1
281.06638	1.2
296.05334	1.5
297.06091	6.6
311.07764	4.4
315.07248	4.6
346.45236	0.4
347.17044	1.2
385.88760	0.4
405.21420	2.8
421.11386	4.7
433.07718	3.8
453.29184	0.5
465.10333	100.0
466.10654	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	465.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27858	0.7
55.01924	0.6
55.85487	0.6
57.03474	1.1
59.01387	6.7
61.98586	0.7
61.98873	2.3
65.03970	5.5
67.01892	3.8
71.01384	5.9
73.02997	2.7
78.78748	0.6
79.95773	0.8
81.03500	1.0
83.01399	1.2
85.02943	4.8
86.03310	0.9
87.00913	0.6
89.02452	1.0
91.01926	2.6
93.03490	0.9
95.01431	1.3
96.96011	26.9
99.00925	0.8
101.02440	4.4
107.01420	1.4
108.02178	3.5
109.02954	73.9
110.03298	1.6
111.00899	1.9
113.02496	2.1
120.96221	0.6
121.02991	1.1
123.00921	2.1
123.04514	11.0
124.01720	0.9
125.02459	4.3
129.01956	0.7
135.00894	8.6
135.04570	1.5
135.66882	0.6
137.02408	1.1
137.06136	1.2
149.99574	1.7
151.00343	3.3
151.04045	0.9
152.01134	5.3
153.01938	100.0
154.02205	3.2
164.04745	0.7
166.02713	1.2
167.03493	21.7
168.00601	2.5
168.03728	0.6
173.04530	1.3
175.03973	0.9
177.01889	0.8
179.03493	1.6
180.98018	0.9
189.01921	1.1
190.02617	1.7
191.03436	0.6
191.05528	0.8
198.93246	0.6
201.11015	0.8
205.05006	2.5
223.06081	1.6
241.00206	3.6
243.33307	0.8
296.05170	2.5
297.05951	1.4
301.02921	0.7
311.07709	26.1
312.07736	1.7
341.06168	1.1
345.09552	0.8
379.06992	4.5
421.06628	3.2
421.11377	1.9
465.09583	30.1
465.26147	2.8
466.09879	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	465.1038
Annotation	Taxifolin 4'-glucoside
Peak:m/z	Relative Intensity
57.03449	11.6
59.01390	8.0
61.98839	7.2
65.00312	1.7
66.17551	0.9
67.01830	1.2
69.58344	6.6
71.01334	3.8
71.05000	1.5
73.02933	2.1
74.99048	0.9
81.00713	0.9
81.03407	1.3
83.01348	4.0
85.02937	5.8
87.00884	6.1
89.02431	1.7
91.03564	1.2
93.03391	2.3
95.01350	2.7
95.04971	4.1
96.95963	2.3
97.02947	7.5
101.02407	2.2
102.98567	1.2
107.01315	2.9
108.02126	2.3
109.02966	10.4
110.01898	2.1
111.00829	2.3
113.02425	1.8
121.02899	3.6
122.03619	1.2
123.00807	2.8
123.04415	3.4
124.01643	7.2
124.42861	0.9
125.02451	100.0
126.02744	3.1
133.02899	1.8
135.00816	1.1
137.02455	13.2
137.09625	4.3
139.00359	1.5
139.04019	17.9
147.04416	1.0
149.02368	4.2
150.03214	2.6
151.00366	10.5
151.04039	6.3
152.01151	16.9
153.01942	26.1
154.01294	1.3
161.06052	1.2
163.00262	1.7
165.01927	41.9
166.02267	1.6
167.03305	1.1
167.10751	5.2
173.05933	1.9
175.04048	6.4
177.01819	4.0
178.99858	7.5
179.03429	0.9
183.02986	33.6
183.08542	7.4
184.03017	1.0
187.03975	1.1
188.04691	2.3
189.05432	4.6
191.03455	2.3
193.04898	3.7
199.03810	1.3
203.07005	1.2
208.20317	1.0
213.05504	1.6
215.03423	0.9
215.07138	1.2
217.04974	8.7
219.04912	2.2
227.07309	2.3
231.06432	3.0
235.05998	1.0
241.04866	1.8
245.08510	8.3
257.04431	1.5
258.05182	1.2
259.06128	12.6
260.06284	1.3
274.04816	1.6
275.05618	9.1
284.03177	1.2
285.04071	27.7
286.04346	2.6
301.03482	7.2
303.05090	11.3
319.04559	12.0
347.16879	1.3
421.11270	3.0
437.10818	18.2
438.11191	1.3
447.09470	9.6
465.09854	88.1
465.20743	2.5
466.09927	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	465.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.3
59.01378	56.9
60.01725	0.6
61.98826	3.0
64.59251	0.4
65.00354	0.5
66.47734	0.4
69.20673	4.2
69.36196	0.4
71.01382	6.3
71.05042	0.9
73.02947	0.8
78.45972	0.4
78.95896	1.3
81.03451	12.8
83.01381	2.9
83.05045	0.5
85.02946	2.4
87.00900	0.8
89.02435	6.0
89.02938	0.6
93.03467	1.9
95.01392	0.9
95.05022	6.0
97.02949	3.8
99.00887	0.6
99.04510	11.9
101.02444	3.9
102.98612	1.1
105.03488	0.4
109.02953	6.5
111.04520	1.1
113.02431	2.8
119.03517	2.4
119.05035	0.7
121.02956	1.1
122.03795	0.4
123.04517	6.6
125.02444	28.8
126.02791	0.5
127.04044	0.7
131.03487	0.5
133.02954	10.8
135.04503	0.6
137.02441	4.6
137.06059	0.6
139.03976	2.7
143.03484	1.0
144.83833	0.3
145.05109	1.1
147.04536	0.5
148.01712	0.4
149.02444	1.4
149.04666	0.4
151.00356	0.5
151.03998	0.6
153.15962	0.4
161.02458	0.7
161.04526	3.0
163.04018	1.6
164.01247	0.6
165.01930	1.5
165.05496	0.5
167.03488	100.0
168.03807	3.5
173.04500	2.6
175.03969	0.7
177.01941	3.8
177.99777	0.6
179.03481	1.5
179.05569	2.3
189.05515	0.6
191.03671	0.8
191.05595	8.7
192.01093	1.8
193.01367	3.5
197.04538	16.6
198.04910	0.5
200.04730	0.4
205.01396	1.3
207.02957	0.8
209.04604	2.4
219.06616	0.4
227.05400	0.5
229.08676	0.6
235.02467	17.7
236.02806	1.0
243.16002	1.2
247.02448	0.6
248.03848	6.3
255.06589	0.5
265.03479	3.3
269.06476	1.0
273.07700	1.4
287.07742	8.8
292.02863	1.8
303.08743	2.8
317.16077	2.6
327.05005	1.3
337.05911	0.4
345.06119	36.0
346.06519	2.5
351.85876	0.4
355.06714	1.7
375.07263	4.2
405.21332	12.9
465.10187	1.9
465.15643	0.9
465.23169	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	465.1035
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
57.03441	4.2
59.01369	7.8
61.98827	2.1
64.57160	1.5
65.00319	6.7
68.99806	2.7
69.03427	1.4
71.01370	2.0
71.30437	2.8
81.03459	18.8
83.01380	10.2
85.02953	2.3
93.03435	15.7
95.01384	2.6
95.05061	6.5
97.02946	10.7
99.00871	2.6
99.04534	11.7
105.03451	2.1
107.01392	5.4
107.05028	2.3
109.02953	4.3
109.97235	1.6
111.04510	4.6
113.02451	2.3
121.02946	10.7
123.00909	2.4
123.04520	13.1
125.02441	70.4
133.02931	4.1
135.00894	1.6
135.04518	5.8
137.02452	21.7
139.03976	4.9
148.03287	1.4
149.02428	13.7
151.00381	11.5
151.04004	11.9
153.01936	13.7
155.03481	1.7
160.78661	1.4
163.00334	9.8
163.04065	3.1
164.01140	4.1
165.01913	16.0
165.05499	1.6
166.02562	2.6
167.03484	77.3
168.03831	3.5
177.01936	17.0
178.02507	1.4
179.03470	13.6
181.01408	3.5
183.02908	1.9
191.03535	3.3
191.05595	3.4
193.01413	37.4
194.01903	2.9
195.02960	30.9
197.04567	21.8
204.82382	1.7
205.01411	27.0
207.02971	21.3
209.04523	2.1
211.02486	7.0
217.05095	2.2
219.02943	3.3
221.00877	2.6
223.02448	50.2
225.04012	20.7
235.02403	7.4
237.04051	4.5
243.15848	1.4
251.01970	7.6
253.03490	15.0
255.05098	5.1
281.02997	3.7
287.07623	5.1
299.05432	1.6
303.05276	1.9
307.04590	2.1
313.05804	1.8
325.05542	2.6
327.05133	3.9
345.06116	100.0
346.06216	7.7
357.06140	3.5
375.07196	30.7
405.21588	2.0
433.59302	1.6
447.09332	5.3
465.10168	17.1
467.32352	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99611	0.4
59.01379	8.1
60.71944	0.2
61.98830	100.0
69.03470	0.5
69.48678	1.7
71.01373	1.9
71.05556	0.3
73.02946	0.6
85.02975	0.9
87.04532	0.3
89.02449	0.9
93.03445	0.4
98.19915	0.5
99.00892	0.2
101.02448	1.3
102.98589	2.5
113.02448	0.5
119.03528	0.3
121.02934	0.5
153.01987	0.3
161.04613	0.7
173.04558	0.7
191.05620	2.3
192.05879	0.4
201.09264	0.4
209.11966	0.4
243.16037	2.3
273.07590	0.3
280.58267	0.3
286.97641	0.2
290.10254	1.9
391.13947	0.3
405.21320	5.5
464.22375	0.8
465.09790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01381	5.5
61.16302	0.4
61.78679	0.4
61.98823	1.6
62.89479	0.4
67.01887	1.2
68.99808	0.6
69.03428	0.8
71.01382	5.8
73.02946	2.2
75.78165	0.5
79.01892	0.6
81.03457	2.1
83.01371	1.2
85.02951	5.1
87.00839	0.6
89.02454	1.4
91.01888	1.0
93.03436	1.2
95.01398	2.4
98.19869	0.9
101.02444	3.3
107.01405	2.6
108.02174	68.6
109.02960	37.5
109.04040	0.6
110.03284	1.0
111.00891	2.0
113.02442	2.7
118.99924	0.5
119.89108	0.4
121.02936	1.1
123.00909	3.2
123.04527	6.3
124.01664	0.9
125.02450	1.2
129.01987	0.5
133.02936	0.8
135.00876	1.6
135.04523	1.0
138.03142	0.4
151.00360	3.6
151.04001	1.3
152.01151	81.7
153.01939	40.9
154.02258	1.3
155.10843	0.5
161.02539	0.6
161.04620	0.6
163.03963	1.4
165.01907	1.1
166.02655	1.5
167.03493	15.4
168.03745	0.6
175.03886	0.4
178.99799	0.7
179.03476	0.6
185.11833	0.9
185.14813	0.4
191.01964	0.7
191.05611	1.0
195.02982	1.1
204.51535	0.5
209.04657	0.5
225.04015	0.7
239.05565	0.6
243.15898	1.1
281.06638	1.2
296.05334	1.5
297.06091	6.6
311.07764	4.4
315.07248	4.6
346.45236	0.4
347.17044	1.2
385.88760	0.4
405.21420	2.8
421.11386	4.7
433.07718	3.8
453.29184	0.5
465.10333	100.0
466.10654	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	463.2489
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
60.74048	1.0
61.00982	0.9
61.98824	1.5
69.75409	1.0
90.11803	0.9
98.19860	2.5
102.00423	1.0
119.04978	1.2
121.02952	1.3
123.04475	1.4
143.12735	1.0
145.02945	10.6
145.25848	1.0
146.03305	1.0
149.02448	1.5
150.03232	3.0
151.00339	2.4
177.01947	8.2
178.02698	3.9
179.03268	1.1
179.96870	0.9
191.03439	2.7
197.68327	1.0
203.03441	0.9
211.07709	1.1
213.05499	1.5
223.20670	1.0
227.07072	5.9
228.07825	1.6
241.05043	2.2
242.05867	3.1
243.03018	1.3
255.02798	1.8
255.06609	65.1
256.07324	17.9
257.07916	1.1
267.06570	5.6
269.08194	8.1
271.02432	4.1
300.02740	9.3
301.03467	4.5
328.78668	1.2
353.13947	1.1
393.16916	2.7
394.17728	3.0
463.09302	6.1
463.24860	100.0
464.25052	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	464.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
61.98833	100.0
69.33547	1.4
69.33959	0.5
71.01385	0.5
85.02968	0.9
87.00908	0.3
89.02458	0.3
96.96006	0.4
97.02972	0.4
98.20643	0.4
101.02467	0.4
107.66499	0.2
109.03013	0.3
114.05660	0.3
119.57980	0.2
121.02998	0.3
122.02490	0.4
123.00898	2.0
123.04504	0.4
125.02496	0.4
136.99150	0.4
137.02489	0.5
138.03246	1.3
148.04076	0.3
153.05605	0.6
166.05074	0.4
166.99896	0.9
179.03537	0.2
182.02203	2.8
191.05656	0.8
197.04559	5.9
198.05052	0.2
231.06573	0.3
259.10010	0.2
303.08609	2.2
315.65353	0.2
400.23746	0.2
404.15167	0.3
420.19308	0.4
465.14328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03436	1.2
58.00594	1.5
59.01380	100.0
60.01707	0.8
61.98832	3.1
63.14106	0.5
67.01902	0.6
69.51094	2.5
71.01382	20.2
72.01722	0.7
72.99329	1.5
73.02961	1.9
83.01414	1.0
85.02945	4.2
86.03320	0.6
87.00899	1.7
88.10914	0.5
89.02444	27.8
90.02805	0.7
93.03458	2.7
95.01423	1.4
99.00900	2.0
101.02445	11.6
102.02802	0.9
109.02959	0.9
113.02445	10.1
113.92559	0.5
114.02810	0.9
119.03509	11.5
123.03291	0.6
123.82911	0.4
125.02471	0.7
131.03500	1.6
138.05614	18.1
139.05969	8.4
140.07167	2.7
141.01941	0.6
141.07552	1.6
143.03502	2.7
149.04564	1.6
161.04561	4.8
165.09203	3.4
173.04559	1.7
179.05615	11.0
179.10805	0.6
183.04575	0.6
188.77356	0.4
191.05605	9.3
191.07172	0.7
205.12245	0.7
213.09213	1.3
300.02823	0.6
300.10837	2.1
301.03360	0.6
301.11197	4.5
385.19159	0.5
403.19785	3.6
463.16528	6.3
463.22189	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79966	0.7
53.45555	0.8
55.01866	2.9
56.13557	0.8
57.03432	3.6
58.00588	1.2
59.01376	28.4
61.98816	1.7
63.56703	0.7
65.00311	1.1
69.03443	1.4
71.01379	60.2
72.01717	1.3
72.97522	0.9
72.99294	1.5
73.02942	22.1
75.00864	2.0
81.03458	1.5
82.03438	0.7
83.01379	6.8
83.05013	2.9
84.02159	0.9
84.38509	0.8
85.02946	27.6
87.00877	3.6
87.04175	0.8
89.02438	16.2
93.03436	2.3
95.01377	4.6
97.02944	2.4
99.00862	8.3
99.17184	0.9
101.02437	34.0
109.02953	1.5
113.02450	24.3
115.03999	2.3
119.03481	2.4
119.05059	0.9
121.02942	1.3
125.02418	3.7
129.01939	2.4
131.03481	2.4
137.02461	1.6
143.03470	2.2
149.04578	1.8
151.00331	2.5
152.01120	1.4
159.02986	3.9
161.02472	1.1
161.03256	1.5
161.04544	28.2
163.00319	0.9
163.11272	1.7
173.04543	2.0
178.99817	2.5
191.05612	7.5
199.03920	0.9
205.03418	1.2
209.11807	75.4
210.12143	3.7
215.07233	0.8
227.03326	0.9
227.12883	13.4
228.13188	1.0
233.06642	1.6
243.02858	3.1
253.09258	9.0
255.03004	5.7
271.02475	15.3
271.05878	2.4
272.03098	1.6
281.06702	0.9
290.17941	2.0
299.01959	4.3
300.02728	21.1
301.03610	9.0
301.06909	1.8
302.03958	1.1
316.02124	4.3
317.02887	5.0
331.17621	30.6
332.17871	2.5
343.04446	1.2
403.19360	1.0
419.22504	1.3
463.08670	26.9
463.21756	100.0
464.08920	2.4
464.22073	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.5
55.33300	0.4
57.03447	3.4
58.00597	1.2
59.01378	25.2
61.98820	2.6
66.88409	0.4
69.03439	0.8
69.32570	3.9
70.80773	0.4
71.01380	56.7
72.01741	0.8
72.27328	0.4
72.99305	1.8
73.02946	21.5
75.00860	1.3
80.02667	0.5
81.03458	1.4
83.01386	7.6
83.05030	3.1
84.02156	1.4
85.02946	25.6
87.00869	2.8
89.02443	16.3
93.03458	1.4
95.01398	4.2
95.05035	0.4
97.02956	3.0
98.20609	0.9
99.00876	8.9
99.04556	0.5
101.02438	35.6
102.02752	0.7
107.01396	1.1
108.02201	0.5
109.02955	0.7
111.00875	1.0
111.04492	0.5
113.02447	20.5
115.03991	1.6
119.03506	2.0
121.02956	0.8
122.84815	0.5
123.04515	0.5
125.02440	3.0
127.04042	0.6
129.01939	2.1
131.03523	2.6
135.04607	0.6
137.02446	0.7
143.03535	3.3
149.04564	2.0
151.00337	3.2
159.03020	3.7
159.04210	0.8
161.04550	26.9
162.04942	0.6
163.00336	0.6
163.11281	2.5
165.12834	1.9
173.04575	1.4
178.99831	1.7
179.05646	1.0
191.05602	5.5
191.10757	0.6
201.01898	0.5
205.03572	0.7
209.11813	77.8
210.12119	4.0
226.02689	0.8
226.08391	0.5
227.03523	1.1
227.12869	13.6
227.15146	0.7
228.13164	0.9
233.06703	1.7
241.05151	0.5
243.02979	3.0
253.09247	11.6
254.02376	0.6
255.02965	7.3
271.02466	15.7
272.02985	1.9
289.07285	0.6
293.08826	1.2
299.01852	1.5
300.02728	25.1
301.03445	12.3
301.20236	0.6
302.03735	0.9
331.17618	26.7
332.17911	1.5
339.07764	0.6
403.19373	0.8
463.08743	21.7
463.21786	100.0
464.09079	2.0
464.15454	0.7
464.22046	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	1.0
59.01379	100.0
60.01708	0.8
61.98835	0.6
68.59051	0.5
69.64552	1.9
70.74955	0.4
71.01384	13.8
72.99326	0.7
85.02945	2.4
87.00877	1.1
89.02446	26.5
95.01385	0.6
101.02431	9.2
113.02444	7.4
119.03507	12.1
119.04343	0.8
120.03864	0.5
131.03537	1.5
143.03497	3.0
149.04573	1.3
161.04567	3.8
179.05605	8.4
281.58197	0.4
312.15744	0.4
385.18744	1.8
403.19565	2.2
463.21857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49943	1.0
55.01884	1.1
57.03441	5.7
58.00597	2.5
59.01381	100.0
61.05451	1.3
61.98834	7.7
62.16476	1.1
65.42751	0.9
69.03467	5.0
69.55897	7.0
71.01385	41.8
71.07079	0.9
72.99306	2.6
73.02953	3.0
77.63490	0.9
78.95904	1.3
81.03484	1.1
83.01405	1.0
85.02951	20.8
87.00880	3.3
89.02448	57.8
93.03452	1.2
94.98081	4.7
95.01398	2.4
95.05025	1.2
96.96024	3.6
96.96954	2.3
97.02964	1.3
99.00877	1.5
101.02445	20.8
109.02956	1.7
111.00879	1.9
113.02452	21.3
119.03509	24.2
120.99664	1.1
122.02426	1.4
123.04512	3.1
125.02464	1.8
129.01968	3.4
131.03499	4.0
143.03459	5.0
147.03110	1.3
149.04568	2.2
149.90907	1.1
153.01964	2.0
153.09230	5.9
154.48547	1.0
161.04562	9.1
165.09189	7.3
167.03462	3.0
179.05620	21.3
183.10194	4.1
215.03531	1.7
233.04561	1.2
235.06284	1.3
241.14445	26.2
257.04535	2.6
271.02649	1.6
279.07132	1.3
283.02484	3.7
300.02582	1.4
301.03510	3.9
350.15024	1.1
403.15506	2.5
403.19980	2.7
424.36450	1.3
427.97824	1.0
431.41779	1.1
463.08621	2.9
463.18338	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30120	0.6
53.00129	0.7
57.03455	1.7
59.01380	100.0
61.98832	4.0
65.00332	0.8
66.26908	0.7
67.40392	0.8
69.03468	1.1
69.31503	6.3
71.01390	9.3
71.68664	0.7
72.99345	0.8
73.02960	2.6
77.15578	0.7
81.03475	1.1
83.01403	1.8
85.02947	7.3
87.00893	1.2
89.02439	4.6
93.03465	7.5
94.03799	0.8
96.18076	0.6
97.02921	0.8
97.06585	1.1
99.00914	1.8
101.02448	5.4
107.01389	1.4
108.02193	1.6
109.02947	3.3
111.00916	1.0
111.04503	1.1
113.02448	3.2
119.03564	1.3
119.05045	1.2
121.02961	1.3
123.04529	1.6
123.08156	1.3
125.02438	2.1
129.01891	1.2
133.02950	4.1
134.03711	2.5
135.04515	8.2
136.01662	1.4
136.04871	0.8
136.46521	0.9
137.02444	2.5
137.09752	1.1
139.04012	0.9
139.11290	17.0
149.04527	1.9
149.06058	1.0
150.03259	1.0
151.00354	6.8
151.03979	2.8
152.72667	0.8
157.12291	0.8
161.02431	2.4
161.04535	1.7
163.00385	1.5
163.04025	0.9
165.05559	2.3
167.03520	2.2
173.04567	13.7
173.06027	1.5
174.04947	1.0
177.01889	2.0
178.02704	1.7
178.99834	2.1
179.03496	4.2
183.10234	8.0
191.01973	1.7
191.05621	6.2
201.11320	36.4
202.11552	1.1
211.04004	1.1
215.03435	1.1
226.02768	1.2
227.03482	2.7
233.04526	1.1
242.07892	1.1
243.02974	5.3
254.02377	1.1
255.02997	12.7
256.03482	1.0
271.02484	27.3
271.05450	1.4
272.02856	1.7
283.02505	1.1
283.18903	0.8
284.00549	0.9
285.03983	1.2
293.08890	0.9
299.02078	1.3
300.02744	46.0
301.03537	32.4
301.07080	2.6
301.13443	3.6
301.20374	0.8
302.03879	1.5
311.07550	0.9
329.06906	0.8
343.08148	0.8
350.13101	0.7
419.19073	3.2
422.15814	2.1
445.07458	0.8
463.08682	44.2
463.26004	12.4
464.09018	4.5
464.26062	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	463.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
57.03448	0.6
58.00600	0.4
58.03105	0.4
59.01379	10.1
61.98828	0.7
63.02401	0.4
70.03361	1.4
71.01382	13.4
71.71186	0.3
72.99312	0.8
73.02969	1.7
78.95898	2.3
83.01385	1.8
85.02943	6.0
87.00882	1.4
89.02448	5.2
95.01382	1.1
96.96027	3.9
96.96956	5.4
97.02957	1.0
99.00893	1.2
101.02443	8.7
109.02951	0.4
111.00889	0.8
113.02448	5.8
119.03497	1.2
120.99650	3.7
122.02505	0.4
123.04552	0.5
124.01662	36.6
125.02506	0.7
129.01936	1.3
131.03513	1.0
135.04509	1.0
137.02464	0.6
139.04013	100.0
140.04364	2.9
143.03448	2.0
149.02463	0.4
159.02960	0.5
161.02469	0.5
161.04538	7.2
163.04021	0.9
165.01971	0.7
167.03471	0.8
177.01927	0.8
179.05591	1.1
179.07022	0.4
181.04985	0.6
193.74609	0.3
220.49390	0.3
221.06657	2.9
297.09698	0.4
301.09265	8.1
302.09525	0.6
323.09790	0.8
327.04907	0.5
403.15863	0.9
463.14545	36.2
464.14893	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	463.0885
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.87706	1.0
55.01879	4.5
57.03452	25.8
58.00591	2.0
59.01385	50.3
60.01698	1.6
61.98831	6.7
62.51094	1.0
65.00320	1.2
67.34305	0.9
68.99792	1.4
69.03449	1.0
69.67690	5.1
71.01385	43.2
72.01704	1.8
72.99323	4.2
73.02953	12.6
74.99091	3.9
75.00883	2.0
81.03452	1.7
83.01390	11.9
84.02130	1.0
85.02955	100.0
86.03289	2.6
87.00879	4.1
89.02444	19.8
91.01887	1.9
93.03449	1.3
95.01397	3.2
96.96010	1.8
98.02463	1.9
98.06109	1.2
98.95611	1.0
99.00898	4.8
101.02451	32.4
102.02797	2.2
107.01331	0.9
108.02162	2.9
109.02934	1.4
111.00880	12.6
112.07681	2.2
113.02460	19.3
114.02798	1.2
114.05596	4.5
119.03519	8.6
121.02159	1.6
121.02967	21.0
123.00932	1.1
123.04539	11.0
124.01667	1.0
125.02477	1.8
125.06102	1.2
129.00958	2.1
129.01945	43.6
131.03482	1.2
133.06566	3.1
135.04469	1.5
135.06628	2.4
136.99115	4.3
137.02515	1.0
139.07634	3.0
143.03461	1.9
147.02953	5.6
149.04552	1.7
151.00346	6.1
152.01102	1.5
154.08710	2.8
159.03049	1.1
160.48964	1.0
161.02420	1.8
161.04555	10.3
161.06064	3.0
162.02908	1.3
162.04868	0.9
167.02170	1.4
167.03510	21.9
167.07143	2.8
168.03819	1.6
170.11867	17.7
171.12241	4.3
173.00928	11.9
178.99838	3.0
179.05617	3.6
183.10268	25.1
189.05644	2.0
191.01970	2.7
191.05656	2.2
197.11816	2.1
198.14963	1.2
215.09274	1.0
225.11362	2.0
235.06084	4.5
238.18094	1.7
245.00412	0.9
251.05635	9.0
257.04370	0.9
279.10785	2.8
282.20648	2.7
283.21365	1.3
291.14459	3.3
292.14642	1.6
295.04517	2.4
297.06323	4.7
297.11859	12.0
300.02847	1.6
300.21857	10.9
301.03568	13.7
301.22168	4.9
313.05557	2.8
314.91986	1.0
317.02753	1.2
341.04785	2.0
343.04489	2.0
345.15475	4.7
373.18497	1.9
400.13382	1.5
403.19754	2.9
444.26050	4.0
445.26376	4.1
462.27112	50.9
463.08475	3.1
463.17169	1.4
463.21365	7.2
463.27423	45.8
464.12619	1.6
464.27966	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	463.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97353	0.5
53.82683	0.5
65.00320	1.1
69.30305	1.3
69.30704	3.0
73.02938	0.5
79.49635	0.4
79.81527	0.4
81.59386	0.5
85.82243	0.5
98.19942	0.9
107.01399	1.8
108.02162	1.3
109.02933	1.4
114.29356	0.4
121.02939	2.2
125.02394	0.6
127.23131	0.5
135.00862	0.8
148.01639	1.6
148.14214	0.5
149.02457	0.5
151.00359	10.5
163.00368	1.5
178.99875	6.0
187.03984	1.0
192.00482	0.5
198.03157	0.6
199.03960	0.6
211.03941	0.6
225.32860	0.5
225.92148	0.5
226.02687	1.5
227.03496	2.9
228.04153	0.5
229.05081	0.7
243.02974	10.2
244.03297	0.7
245.04544	0.7
254.02206	2.3
255.02974	19.7
256.03363	1.3
271.02469	51.0
272.02826	4.6
273.03885	0.6
283.02426	1.0
299.02045	0.9
300.02737	100.0
301.03470	48.5
301.06329	0.7
302.03812	3.3
414.62555	0.6
458.98779	0.5
463.08823	85.3
464.03159	0.6
464.09125	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	463.088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23017	0.4
53.04926	0.5
59.32304	0.4
63.02378	0.6
63.14329	0.5
65.00325	1.7
69.46169	2.8
70.87345	0.4
71.26218	0.5
83.01394	0.6
101.62130	0.5
107.01402	2.0
108.02155	1.2
109.02938	1.5
121.02950	2.0
135.00890	1.4
139.74170	0.5
148.01682	1.7
151.00362	11.0
163.00395	2.6
178.99847	6.6
183.04401	0.5
199.03976	1.1
201.05548	0.6
211.03903	1.2
226.02663	1.7
227.03523	3.0
229.05077	1.1
243.02983	11.6
244.03427	0.8
245.04453	1.0
254.02164	3.0
255.02966	24.5
256.03424	1.4
271.02457	55.7
272.02878	5.2
273.04059	1.1
283.02545	1.0
297.68408	0.5
299.01883	1.2
300.02737	100.0
301.03464	52.1
302.03821	3.0
463.08801	87.8
464.09064	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	463.0883
Annotation	Isoetin 5'-glucoside
Peak:m/z	Relative Intensity
59.01363	2.6
61.98836	4.1
67.30077	0.7
69.32974	6.3
72.74352	0.7
74.39079	0.7
98.19879	0.8
101.02341	0.7
104.95554	0.6
105.87502	0.7
107.01368	1.7
108.02185	1.5
109.02923	1.4
120.58845	0.7
121.02975	1.8
135.00888	0.9
140.25397	0.6
151.00375	8.7
163.00383	1.2
164.01076	0.8
178.99849	5.3
199.04124	0.9
226.02744	1.6
227.03456	1.7
243.02933	9.7
254.02271	2.2
255.02968	20.7
256.03482	1.3
271.02460	50.4
272.03030	4.7
283.02454	1.6
299.01950	1.6
300.02737	100.0
301.03473	46.4
302.03769	2.3
463.08820	81.4
464.09189	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	462.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.4
57.24988	0.3
59.01378	15.9
60.10484	0.3
61.98829	100.0
65.79295	0.4
66.95260	0.4
67.01897	0.9
68.43557	0.4
68.99856	0.4
69.03465	0.5
69.27323	0.9
69.27724	2.8
71.01384	5.7
73.02940	6.8
73.03304	0.5
83.01395	2.4
83.05066	0.5
85.02964	2.1
87.00889	1.0
89.02457	1.8
93.03454	4.1
96.96095	0.4
98.19855	0.6
101.02438	7.3
101.47498	0.3
103.35490	0.4
108.02203	0.9
109.02976	1.4
111.04533	0.5
113.02458	2.8
119.03500	0.4
119.04996	0.4
121.02981	1.3
123.04567	0.7
130.08768	1.3
131.03490	0.7
133.02963	1.0
134.03784	0.4
135.04532	5.2
137.02484	1.1
143.03500	0.5
149.04575	1.3
151.00378	1.0
151.04005	0.6
152.01237	0.6
155.03519	0.4
161.02480	0.9
161.04593	2.3
162.28098	0.4
167.03517	1.5
173.04546	5.0
173.05925	0.6
177.01999	0.8
178.02733	0.6
178.99962	0.9
179.03479	3.0
183.10277	0.8
187.13484	0.9
191.05611	5.3
243.03053	1.2
255.02901	1.9
271.02454	6.0
291.06705	0.6
297.14859	0.5
299.02078	0.6
300.02722	10.0
300.06100	0.7
301.03497	4.6
349.18719	3.1
358.54483	0.5
411.16989	0.8
418.21814	1.2
422.16409	1.2
462.27399	0.9
463.08832	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	462.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33376	0.3
50.54297	0.2
55.01879	1.9
57.03450	9.6
58.00595	1.0
59.01382	18.3
60.01713	0.2
61.98830	2.3
66.21543	0.2
69.03444	0.6
70.02975	0.7
70.97240	0.4
71.01383	25.2
72.01754	0.3
72.04536	0.4
72.99310	1.2
73.02948	8.4
75.00880	0.7
81.03459	0.7
83.01385	5.6
84.61199	0.2
85.02952	17.1
86.00109	0.6
86.03302	0.3
87.00881	1.4
89.02445	7.6
95.01392	2.1
97.02953	0.7
98.02496	1.6
98.06115	1.6
99.00889	3.3
101.02444	21.1
102.02802	0.3
108.02197	0.2
110.06051	0.2
111.00880	3.6
112.01675	0.4
112.07678	2.4
113.02454	11.3
114.05614	4.2
119.03511	3.0
121.02960	1.5
121.10250	0.2
123.04481	0.7
125.02415	0.7
129.01930	2.7
129.09230	0.8
131.03497	0.5
133.03008	0.4
141.01918	0.3
143.03525	1.2
147.02965	0.3
149.04564	0.3
151.00369	0.4
152.10811	1.0
154.08755	4.7
155.09052	0.3
159.02997	2.1
161.02518	1.5
161.04549	7.0
167.03465	1.4
170.11864	24.1
171.12184	0.9
173.00868	0.6
179.05640	0.7
183.10323	1.1
191.01996	0.2
224.63878	0.2
235.06227	0.5
238.18188	1.4
251.05659	0.6
264.19693	0.3
270.06985	0.3
282.20810	1.7
291.14493	6.2
292.14871	0.3
295.04648	0.3
297.06158	0.3
300.02631	0.3
300.21793	9.2
301.03510	0.5
301.22211	0.5
329.19604	0.4
373.18674	2.5
374.19141	0.3
399.12939	1.4
444.26028	8.6
445.26706	1.3
462.27072	100.0
463.21719	1.1
463.27414	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	462.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08637	0.5
52.73283	0.5
58.01646	0.4
59.01070	0.8
59.01377	27.8
61.98830	100.0
64.96972	0.4
69.46983	2.7
69.47383	1.1
71.01374	2.5
73.02960	1.1
78.95891	0.7
83.01418	0.5
85.02973	1.5
87.38713	0.5
94.03185	0.5
101.02450	2.1
101.67661	0.4
106.87819	0.5
107.01340	0.5
109.02938	1.0
113.02463	1.6
151.00375	1.2
161.04539	1.2
169.85989	0.5
178.99792	0.5
193.77168	0.5
236.53716	0.5
243.03151	0.6
251.54956	0.4
255.02997	3.0
271.02457	5.9
285.04092	0.5
299.02072	1.3
300.02768	11.1
301.03543	3.0
313.16751	1.8
329.23486	1.3
355.17786	0.8
463.08881	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	462.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.0
61.98831	100.0
69.76161	1.3
71.01386	2.7
71.01740	0.3
73.02949	1.2
78.68925	0.2
83.01391	0.5
85.02968	1.0
89.02467	1.0
95.01412	0.3
99.00886	0.3
101.02442	2.3
113.02470	1.1
119.03528	0.4
143.03375	0.2
159.03117	0.3
161.04617	0.9
163.25899	0.2
177.38510	0.2
191.05623	0.4
255.03032	0.3
265.16028	0.3
271.02499	1.1
283.17267	0.3
285.18756	0.5
300.02625	1.8
301.03720	0.7
313.16571	3.2
323.52090	0.2
355.17795	0.7
433.22400	0.4
445.22171	2.0
463.08994	1.5
463.23322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3634
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
59.01377	1.3
61.00817	0.5
61.98833	0.9
69.82537	1.5
69.82940	1.1
73.34620	0.5
94.53136	0.5
95.58854	0.4
118.71313	0.4
133.02956	1.2
135.08167	3.2
149.06036	0.6
150.06888	1.9
163.07646	100.0
164.07973	3.4
176.08417	1.7
245.07452	0.5
248.08258	0.6
285.04044	15.3
286.04422	1.4
415.36801	0.5
446.33987	3.7
461.07227	2.1
461.36349	57.1
462.36743	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	462.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	52.4
61.40484	2.2
61.98831	72.1
69.17180	6.6
69.17596	17.5
71.01400	2.6
73.02972	2.3
73.71728	2.1
85.02943	3.7
85.98928	2.4
89.02448	15.6
104.23636	2.2
131.03491	6.5
133.50319	2.0
149.04549	100.0
215.03639	3.2
223.13365	41.4
242.02222	2.4
243.02878	9.4
244.03329	11.8
248.30772	2.6
258.04852	2.9
263.71240	2.5
267.12491	13.3
271.02420	15.2
272.02802	14.4
285.03992	6.9
286.04382	8.5
299.01929	5.5
300.02524	18.9
301.03223	9.7
314.04343	6.6
315.04712	22.3
316.05353	9.7
399.16534	49.0
400.16849	3.7
434.85205	2.3
462.11221	49.9
462.51810	2.4
463.10989	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	461.2907
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.08541	0.7
56.22256	0.4
57.03450	0.6
61.98816	1.2
70.37193	0.5
70.39199	1.5
70.54678	0.5
106.84154	0.5
107.34676	0.5
123.04519	0.8
125.06079	3.3
132.29965	0.5
137.09715	0.6
151.04005	5.9
163.07640	0.8
164.69983	0.6
177.01933	0.8
179.03496	1.2
180.04214	1.5
181.54463	0.5
191.10641	0.6
207.10255	1.7
217.08597	2.8
221.08173	4.9
222.08859	1.6
223.09743	1.7
235.09724	91.4
236.10313	9.1
249.11284	1.7
285.03937	1.3
333.17059	5.8
335.18744	0.7
392.22128	3.9
461.29056	100.0
462.29330	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	461.2393
Annotation	Ligurobustoside A
Peak:m/z	Relative Intensity
55.01875	1.3
57.03452	2.6
58.00597	0.7
59.01381	62.6
61.98834	2.9
63.44185	0.6
69.20482	6.0
71.01382	18.5
72.99305	0.8
73.02957	6.2
75.00876	0.8
83.01404	4.2
85.02951	14.2
87.00905	2.8
87.04526	0.9
89.02444	9.2
93.03513	1.1
95.01411	1.7
96.96004	1.0
97.02947	0.9
99.00906	2.4
99.04529	0.9
101.02447	17.9
101.03105	0.9
106.38300	0.7
108.02205	0.7
109.02975	0.6
111.00896	1.2
113.02457	9.4
117.03505	1.2
119.03502	4.0
119.05036	0.8
121.02975	0.8
123.04521	0.9
125.02466	1.9
127.07646	1.1
127.72910	0.6
129.01945	1.2
133.02969	2.4
135.04533	7.9
137.02449	1.3
137.06114	1.3
137.09758	0.8
139.11316	1.0
145.02951	5.3
147.03073	1.0
151.00374	1.4
152.01213	1.2
155.07153	0.8
155.10803	3.0
159.03047	0.8
161.02461	7.3
161.04594	2.6
173.04582	0.6
179.03471	5.7
179.05681	0.9
183.10301	2.1
191.02065	1.9
193.05107	1.0
197.11852	1.0
199.09879	2.1
219.08652	0.8
225.11351	3.6
226.50302	1.0
241.01555	0.8
241.10922	0.7
245.01180	0.8
270.01813	1.7
271.02576	1.9
281.17542	1.1
285.04077	1.5
297.04172	1.0
298.01358	2.1
299.02109	3.4
311.05588	1.0
312.06540	2.0
313.03476	1.0
315.07077	0.8
320.06693	1.0
334.72665	0.7
341.02963	1.8
341.06815	4.3
345.15549	6.7
359.71036	0.7
371.08005	2.6
373.15140	0.6
401.21689	3.4
443.22784	4.4
461.06744	1.8
461.24194	100.0
462.24432	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	461.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
57.03429	1.5
57.46957	0.4
58.00589	0.6
59.01380	48.8
59.93853	0.4
60.01708	0.4
61.98829	3.4
63.02418	0.6
65.00334	0.7
69.23843	3.6
71.01382	12.4
72.97536	0.7
72.99290	0.9
73.02950	3.7
83.01382	2.5
83.99085	0.3
85.02950	9.1
86.03260	0.4
87.00870	1.5
89.01934	0.6
89.02444	7.6
95.01376	0.8
97.02933	0.6
98.19926	0.8
99.00882	1.4
99.04510	0.7
101.02440	10.6
107.01416	0.4
109.06593	1.5
111.00849	0.5
113.02449	6.1
117.03460	0.4
118.98005	0.5
119.03464	2.9
119.04961	0.7
123.04517	0.6
125.02380	0.7
129.01942	0.6
131.03452	0.6
131.11899	0.4
133.63010	0.4
135.04550	0.7
143.03531	0.7
147.02962	0.7
149.02504	0.5
149.04552	0.4
151.00357	0.7
159.03024	0.5
161.02405	1.2
161.04541	1.9
163.00336	0.6
163.11275	0.9
173.04596	0.4
179.03484	0.5
179.05605	0.7
191.01974	1.6
191.05566	0.8
201.44270	0.4
207.10257	4.8
211.03896	0.6
219.13849	0.9
225.11351	3.2
239.16606	0.4
241.01550	0.7
242.02298	0.4
245.00752	0.5
253.09349	1.0
255.02975	82.6
256.03348	6.1
268.03662	0.7
269.04532	4.1
269.13861	1.3
270.01654	0.5
270.04471	0.7
271.02603	0.6
281.04587	4.9
281.17502	0.7
283.02469	56.8
284.03146	10.6
285.03818	2.9
297.04001	13.1
298.01373	0.8
298.04791	17.0
299.02103	0.7
299.05533	8.6
300.05969	0.5
307.08408	0.4
313.03485	4.0
327.05206	0.4
341.06503	0.6
345.15289	0.5
356.99078	0.4
401.21826	1.5
443.22949	2.1
446.08508	21.4
447.08899	2.0
461.10889	100.0
461.24005	70.0
462.11230	10.0
462.24377	6.7
470.99719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40230	1.5
54.39085	1.4
54.53176	1.6
56.38058	1.5
58.00588	3.7
58.06816	1.3
59.01378	100.0
60.82286	1.4
61.98810	5.0
69.03452	5.7
69.08881	1.3
71.01379	72.0
72.01707	2.0
72.99303	5.4
73.02950	9.8
75.00862	4.7
81.03439	3.7
83.01384	4.3
85.02954	12.8
85.71854	1.4
87.00872	5.2
89.02441	89.3
95.01380	2.2
97.02934	6.5
98.19836	2.2
99.00817	1.5
101.02439	23.1
107.05028	40.7
109.02920	1.8
109.06674	1.6
111.00845	3.6
112.27804	1.5
113.02434	11.9
115.03967	1.3
119.03509	7.1
125.02433	19.8
131.03500	20.6
135.04504	1.7
137.02451	4.3
143.03474	3.3
149.04536	34.9
161.04463	1.8
162.39288	1.7
172.82813	1.4
179.03499	9.2
179.10748	3.7
181.08629	5.2
191.05609	7.2
198.42851	1.4
203.10837	1.7
221.11815	6.9
225.11223	3.4
233.06625	4.1
291.34320	1.8
293.08774	75.7
294.09085	3.9
299.07523	2.2
363.54922	1.8
401.14017	2.9
401.18640	3.2
461.20334	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	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.21448	0.3
57.03448	0.4
59.01379	100.0
60.01733	0.6
61.98828	8.1
65.01247	0.5
70.22599	0.9
70.22990	0.9
71.01379	5.3
72.33427	0.4
73.02954	1.9
74.68458	0.4
83.01398	0.9
85.02946	6.9
87.00885	0.9
89.02438	2.0
93.03481	0.5
95.01434	0.4
96.44522	0.4
99.00886	0.6
101.02431	3.6
106.06168	0.4
111.00906	1.1
111.77863	0.4
113.02475	1.6
119.03532	0.6
129.01944	0.5
130.73987	0.4
137.02455	1.1
147.02933	0.5
151.04057	2.0
151.15724	0.4
161.04539	3.8
179.05650	0.8
191.01987	1.5
191.05675	1.2
241.01518	0.5
263.13007	0.7
270.01834	1.3
271.02512	0.6
281.06680	0.5
285.04022	0.5
297.04034	2.1
298.01547	0.7
298.04776	11.3
299.02158	0.9
299.05261	0.8
305.73615	0.4
313.07285	1.6
326.04300	1.1
341.06662	12.4
341.10672	0.8
342.07205	1.4
371.07559	0.5
375.20581	0.8
401.18130	6.2
402.18909	0.4
417.21460	1.2
429.51840	0.4
461.11392	5.6
461.20230	2.3
462.11182	0.5
471.77484	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58348	0.4
51.25879	0.4
59.01382	3.9
61.98837	5.3
69.51453	3.3
71.01371	0.8
76.57935	0.5
78.84894	0.5
83.01395	1.0
85.02951	3.5
85.69373	0.4
89.02435	0.6
100.86513	0.5
101.02487	0.5
107.01383	0.8
123.04537	0.6
124.27197	0.5
125.02514	0.9
133.02971	0.6
143.05075	0.9
147.02995	0.5
151.00417	2.5
161.02451	1.3
167.03586	0.5
171.04567	0.8
173.02406	0.5
174.48221	0.4
175.04030	0.7
183.04478	0.8
183.10321	0.6
187.04030	4.1
191.01961	1.5
199.03992	4.9
201.02007	1.2
203.03424	0.7
211.00343	0.7
211.04016	2.6
213.02057	0.5
215.03520	4.3
225.11507	0.5
226.02640	1.2
227.03500	5.5
229.01367	0.8
231.03079	0.8
241.04933	0.6
242.02231	10.3
243.02977	45.9
244.03397	2.2
255.03055	7.4
255.05534	0.9
256.03281	1.1
257.04550	12.5
258.05057	0.8
270.01678	14.4
271.02469	51.1
272.02911	3.1
285.04047	23.9
286.04742	7.2
286.07751	0.6
287.05499	0.8
299.01978	51.1
300.02664	14.4
314.04321	57.0
315.05054	33.0
315.08942	0.8
316.05502	2.2
341.03088	1.9
357.06256	1.1
399.16687	0.7
461.11041	100.0
462.11432	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	461.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19669	0.8
55.01866	2.5
57.03439	2.9
59.01117	1.5
59.01384	18.1
59.72664	1.0
61.98826	1.9
71.01382	36.9
73.02951	15.5
75.00860	3.0
75.64745	0.9
79.38627	1.1
82.58067	0.9
83.01381	4.4
83.43365	1.0
85.02948	18.4
86.95924	1.1
87.00890	1.7
89.02441	7.9
95.01379	2.6
96.95987	1.6
96.96919	1.3
97.02941	2.9
99.00883	7.9
101.02444	30.0
107.53063	1.1
113.02441	15.3
115.04025	1.3
123.04486	1.1
125.02456	2.7
131.03519	1.9
143.03461	1.8
159.02997	4.1
161.04550	17.0
167.03444	3.1
179.03455	1.1
209.04527	3.7
233.06635	1.7
251.05641	5.6
269.07376	1.7
269.10309	26.2
281.06583	3.9
285.03967	1.2
306.93951	1.1
311.07813	1.9
345.15256	1.0
401.14523	100.0
402.14844	6.9
461.12991	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	461.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14550	0.9
54.80244	0.8
59.01382	7.6
61.98816	1.7
65.04015	0.8
70.96846	2.3
71.01373	6.6
71.65035	0.8
75.00823	0.9
85.02942	3.9
89.02420	1.2
93.03475	1.3
95.01350	0.9
97.02969	1.8
101.02436	3.4
107.01360	0.9
108.05794	1.1
109.02949	42.7
110.03291	1.3
111.00849	2.0
111.04517	1.4
113.02435	3.2
116.92860	1.2
119.05025	92.7
120.05362	2.8
123.00872	1.1
123.08142	0.9
124.01679	0.9
125.06097	1.9
133.02916	0.8
135.00896	1.2
135.04521	4.9
138.06863	1.8
139.07695	4.3
151.00462	1.1
151.07631	9.1
152.01146	2.4
152.04762	1.3
152.08374	3.7
153.01935	76.1
153.09189	2.3
154.02235	2.0
161.02501	1.1
163.04004	32.7
163.07623	1.1
164.04375	1.5
173.50656	0.8
177.01942	1.7
179.03461	6.0
191.05574	1.1
195.03009	2.8
200.88693	0.8
201.12924	2.1
204.11513	4.8
219.13884	7.8
225.11469	0.9
263.12863	27.3
264.13205	1.1
268.44751	0.9
269.04449	1.5
270.01810	2.8
271.02533	1.1
281.04456	3.5
285.04080	2.3
297.06207	47.7
298.04083	1.0
298.06952	1.7
299.02039	1.5
299.05524	1.1
341.06714	1.8
417.11758	5.0
443.10043	1.3
461.10895	100.0
462.11218	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	461.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28666	0.4
55.01860	0.9
56.23981	0.4
57.03439	1.0
58.00573	0.5
58.19450	0.4
59.01379	33.6
61.98823	4.8
63.18476	0.3
65.00349	0.4
71.01376	8.2
72.99311	0.6
73.02940	3.0
83.01371	1.8
85.02952	5.7
87.00864	1.4
88.98799	0.7
89.02440	5.4
93.03432	0.8
95.01388	0.7
99.00858	0.7
99.04468	0.6
101.02441	6.1
102.98569	0.7
107.01368	0.5
108.85193	0.4
109.02950	0.4
109.06587	1.1
111.00893	0.6
113.02451	3.8
118.98050	0.6
119.03530	1.9
129.01883	0.6
135.04462	0.8
143.03452	0.7
147.02933	0.5
151.00305	0.6
152.52757	0.4
153.01993	0.7
159.02933	0.5
161.02443	0.9
161.04536	1.4
163.00377	0.5
183.04359	0.4
183.31261	0.4
185.09731	0.4
191.01953	1.6
191.05553	1.2
207.10233	2.9
211.55113	0.4
225.11247	2.1
235.08284	0.5
241.01263	0.8
253.09305	0.7
255.02974	75.6
256.03363	4.5
268.03671	1.0
269.04474	3.8
269.13947	1.8
270.01712	0.6
281.04474	2.7
283.02469	57.1
284.03180	12.0
285.04080	3.0
296.06668	0.4
297.04013	14.3
298.01346	1.0
298.04782	16.4
299.05576	8.0
300.05927	0.7
313.03522	4.2
322.74878	0.5
327.04999	0.8
378.30447	0.5
401.21722	1.7
443.22958	1.4
446.08499	17.7
447.08704	1.3
461.10910	100.0
461.24063	50.2
462.11234	9.2
462.17725	0.7
462.24127	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	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.2
66.00980	0.4
68.24734	0.5
69.46654	0.7
69.47060	2.0
69.87476	0.3
71.01379	2.7
73.02956	1.0
78.54137	0.4
81.03481	1.0
85.02950	4.1
87.08486	0.4
89.02475	0.4
92.98691	0.5
93.03453	2.4
95.01395	1.2
101.02441	1.6
108.02175	59.4
109.02965	22.3
110.03271	0.8
113.02457	1.4
117.03474	22.0
118.03821	0.8
119.05028	7.1
121.02986	0.9
123.00855	1.1
129.76456	0.4
133.02977	0.7
134.03673	0.4
135.00948	0.5
145.02956	67.7
146.03300	2.2
151.03990	1.0
152.01152	81.1
153.01945	19.8
154.02231	0.6
159.04381	0.4
161.02509	0.8
163.03990	5.6
165.01935	1.6
191.02039	0.9
213.05566	1.3
225.04163	0.6
255.06752	0.4
307.08337	1.9
315.07208	34.7
316.07538	1.7
345.15640	1.3
373.13153	0.5
417.12097	2.3
461.10895	100.0
462.11176	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	461.073
Annotation	Demethylwedelolactone 3-O-glucoside
Peak:m/z	Relative Intensity
50.60353	0.2
54.34295	0.2
59.01370	0.7
61.75305	0.2
61.98822	0.6
66.48296	0.2
79.48512	0.2
85.02959	0.4
93.35287	0.2
98.19901	0.7
101.02496	0.2
115.05550	0.2
117.03426	0.3
119.05019	0.2
135.28851	0.2
139.05551	0.6
141.03474	0.3
142.85576	0.2
143.05031	1.1
143.05984	0.2
145.02968	0.5
150.05605	0.3
151.00359	0.3
155.05002	0.3
159.04483	0.7
161.02396	0.4
163.04066	0.2
167.05058	0.9
169.03018	0.3
171.04536	0.2
183.04547	1.2
185.02420	1.1
187.04005	10.9
188.04315	0.5
199.03999	0.5
201.02032	0.3
210.03206	0.2
211.00410	2.5
211.03992	5.7
212.04350	0.4
213.01875	0.7
227.03468	1.4
231.03006	2.2
238.99872	0.2
255.03001	10.6
256.03339	0.6
257.00906	0.8
270.01697	0.7
271.02438	0.6
274.36533	0.2
283.02563	0.6
287.96494	0.2
298.01151	1.0
299.01965	100.0
300.02310	6.4
311.01926	0.5
313.03702	0.4
323.02017	0.3
341.03009	3.1
365.02829	0.2
384.99097	0.2
461.07260	24.0
462.07632	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	461.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
55.83512	0.4
57.01400	0.4
57.03442	0.6
59.01378	57.0
61.98836	1.4
67.01930	0.5
68.99825	0.7
69.03474	0.6
69.33730	0.9
69.34142	2.6
71.01378	6.3
72.99306	0.7
73.02953	1.8
75.00871	29.7
77.68173	0.4
81.03464	1.2
83.01397	2.1
83.05019	0.8
85.02953	2.9
87.00859	0.7
89.02442	6.6
91.05542	1.9
93.03463	3.0
95.01383	2.6
97.02952	1.1
101.02434	4.0
105.03468	1.2
107.05024	6.1
108.02164	1.0
109.02945	4.7
111.04514	2.2
113.02430	2.8
117.03478	0.8
119.03490	2.9
119.04940	0.4
121.02950	1.1
123.00880	1.9
123.04514	6.9
125.02483	1.0
131.03487	0.5
133.02980	0.7
134.03706	0.6
134.06244	0.4
135.04532	14.5
136.01643	1.0
136.04836	0.6
137.02441	23.0
138.02838	0.8
139.04085	0.5
143.03497	0.7
149.02426	4.2
149.04582	0.6
151.00383	0.9
151.03998	28.9
152.04369	0.7
161.02451	1.5
161.04533	2.2
163.04036	0.4
165.05649	0.5
167.03510	0.5
179.03494	100.0
180.03809	3.6
191.01990	0.6
191.03564	1.0
191.05583	1.0
205.01520	0.6
209.04546	7.2
211.04379	0.6
221.04564	0.6
221.11795	0.7
225.11292	0.6
239.12810	0.7
285.04022	0.6
290.24002	0.4
299.07709	36.4
300.02783	0.9
300.08008	1.9
341.02905	0.8
341.06580	9.1
381.05368	3.8
401.18097	1.9
461.10922	7.9
461.20139	0.7
462.08240	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	460.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.4
57.03447	7.8
58.00592	4.0
58.02968	0.7
58.67722	0.5
59.01380	100.0
60.01706	1.1
60.16683	0.5
61.98835	1.8
68.99834	0.7
69.03471	0.8
69.33770	5.1
70.02959	0.5
71.01384	81.0
71.05011	0.6
72.01736	0.8
72.04546	2.1
72.99314	4.5
73.02950	17.5
75.00873	1.8
83.01382	9.0
83.01839	0.9
84.41064	0.5
85.02953	36.5
86.03304	2.5
87.00882	5.2
87.04519	1.7
89.02448	67.5
91.23471	0.6
93.03511	0.6
95.01387	7.3
97.02936	1.3
98.02526	0.9
99.00862	5.1
101.02444	58.3
102.02805	1.1
111.00884	1.7
113.02454	30.1
114.05614	9.4
115.00344	0.5
119.03508	36.7
119.04895	1.2
120.53436	0.6
121.10220	1.0
122.02454	0.8
124.79169	0.6
125.02483	1.5
129.01932	1.9
130.08780	2.8
131.03523	3.8
134.03662	0.7
134.84499	0.6
142.08794	0.9
143.03499	6.8
145.05107	1.1
147.02991	2.1
147.11761	2.9
149.04576	2.8
159.03014	2.6
161.02527	1.0
161.04561	13.0
163.04028	0.9
179.05608	12.9
179.10910	0.5
183.10265	0.6
191.01932	4.8
192.02303	2.1
193.05031	0.7
208.13399	1.2
209.02974	0.6
221.11818	1.8
224.16554	23.6
225.16855	1.0
236.16464	3.9
239.12926	4.0
241.01445	3.2
242.02176	1.5
245.00920	1.5
254.17630	0.7
262.18140	2.1
270.01685	2.8
271.02530	3.0
280.19299	2.9
298.01257	0.8
298.20218	28.6
299.01776	2.8
299.20581	1.8
345.15613	1.5
371.17160	1.7
400.09933	0.6
460.25516	76.2
461.06985	6.5
461.20111	4.1
461.25961	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	460.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01618	0.8
55.01871	5.4
57.03448	9.2
58.00586	3.5
59.01378	79.6
60.01705	0.6
61.98823	0.7
69.03459	1.2
69.31332	1.2
69.31736	4.0
71.01380	70.8
72.01682	0.9
72.04552	3.5
72.99306	4.4
73.02944	21.9
75.00881	1.6
81.03463	0.6
83.01387	8.9
83.05033	1.5
84.02165	0.6
85.02950	34.1
86.00089	1.4
86.03292	1.8
87.00866	9.3
87.04506	2.0
89.02442	54.2
90.02823	0.7
93.58284	0.6
95.01385	6.4
97.02971	1.4
98.02482	0.7
99.00887	6.4
99.01472	0.8
100.97739	0.5
101.02439	55.0
102.02809	0.8
106.93726	0.6
107.08678	0.9
111.00885	1.5
112.07688	0.8
113.02449	31.4
113.72588	0.6
114.02780	0.6
114.05601	10.8
119.03500	24.9
121.10253	0.7
125.02448	1.1
129.01955	1.9
130.08739	3.8
131.03482	1.5
142.08774	1.4
143.03502	5.9
145.05051	4.9
147.02985	1.3
147.11775	3.9
149.04572	2.3
152.10759	0.7
159.02998	3.8
161.04546	19.0
167.26488	0.5
179.05595	6.9
180.99683	0.8
191.01981	1.9
192.02287	0.9
198.07874	0.5
205.03658	0.6
208.13411	1.2
210.14827	0.6
211.04396	0.9
224.16545	27.2
225.16901	1.3
235.08205	3.6
236.16493	4.5
241.01361	2.6
242.02304	0.9
245.00984	1.3
254.17606	0.8
262.18121	2.4
270.01624	3.2
271.02484	3.0
280.19171	10.9
298.01157	1.8
298.20224	28.1
299.01843	3.1
299.20569	2.2
327.18185	0.7
371.17255	1.9
385.31223	0.6
460.25500	100.0
461.07169	6.3
461.19943	1.1
461.25787	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	460.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.9
57.03447	8.1
58.00592	3.1
59.01380	74.5
60.01726	0.9
69.31269	3.7
69.31686	1.4
71.01382	64.7
71.05040	0.7
72.01737	1.0
72.04539	2.9
72.99316	4.3
73.02554	1.1
73.02949	19.0
75.00871	2.7
77.68668	0.6
83.01398	7.9
83.05017	0.9
85.02953	30.7
86.00106	1.5
86.03291	2.6
87.00884	7.9
87.04510	2.3
88.73443	0.7
89.02444	48.6
95.01383	5.9
97.02973	1.6
97.06583	0.9
98.19801	1.1
99.00893	5.0
101.02441	49.4
111.00880	1.1
113.02450	27.3
114.05592	8.8
119.03500	24.0
120.03841	0.8
120.71797	0.7
125.02427	0.7
129.01936	1.4
130.08736	3.3
131.03494	2.1
140.87938	0.7
142.08736	1.1
143.03496	5.5
145.05037	4.8
147.02943	0.7
147.11809	2.2
149.04536	2.1
151.00331	0.9
156.10255	0.6
159.02995	2.8
161.04552	15.1
165.12859	0.8
179.05603	8.2
180.05995	0.7
191.02028	2.2
192.02274	0.7
208.13429	1.1
222.14813	1.1
224.16542	21.5
225.16992	1.0
235.08218	3.7
236.16573	3.3
254.17625	1.5
262.18164	1.2
280.19196	11.3
281.19501	0.8
285.04004	10.6
297.04172	0.9
298.20227	24.5
299.20441	1.5
341.06638	4.1
371.07687	0.7
371.17014	1.7
460.25507	100.0
461.11270	5.9
461.25842	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	460.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02232	0.2
57.03445	0.4
59.01375	3.9
60.01711	0.2
61.98827	100.0
69.23857	1.4
69.24284	0.7
71.01395	1.2
73.02959	0.6
85.02950	2.8
86.03278	0.7
89.02442	1.0
99.04539	0.6
101.02463	0.8
113.02396	0.3
119.03504	0.4
123.34557	0.3
129.01945	0.4
131.81096	0.2
147.02994	0.3
177.01947	0.6
178.02261	0.4
179.05617	0.4
185.49739	0.3
191.01999	1.0
192.02417	0.4
209.03113	0.3
268.12674	0.3
281.17557	2.1
339.94528	0.3
460.15173	0.6
461.14987	0.4
461.24350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	25.8
61.98831	18.8
69.33252	42.5
70.03223	5.7
73.02923	7.6
84.09989	5.6
85.02976	9.2
98.20631	11.6
133.67072	6.8
139.35129	5.8
160.14201	6.3
181.19804	5.4
195.85387	5.9
206.37326	6.4
285.04044	100.0
299.01855	8.0
360.24255	6.4
460.21237	23.6
461.07358	19.8
461.21497	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	460.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.1
56.68184	0.4
57.03453	5.5
58.00601	5.1
59.01384	100.0
60.01711	0.8
61.98833	1.8
69.03469	0.6
69.35589	3.6
70.13512	0.5
71.01385	66.6
72.01713	0.8
72.99307	5.4
73.02949	3.9
75.00871	0.4
82.51009	0.4
83.01395	3.9
83.05045	0.7
85.02953	16.3
87.00869	3.2
89.02450	82.7
90.02774	1.1
93.03463	0.6
93.36131	0.4
95.01398	4.4
97.02943	0.9
98.06171	0.6
98.20683	0.8
99.00897	1.8
99.04552	0.4
101.02449	46.7
102.02791	0.6
107.05034	1.0
111.00890	1.2
112.07693	1.1
113.02457	28.6
114.02786	0.5
114.05593	2.2
115.04023	0.5
119.03510	43.1
120.03819	0.7
121.02967	0.6
125.02440	1.7
127.43023	0.4
129.01942	1.1
130.08751	1.0
131.03520	5.0
131.95940	0.4
143.03510	7.1
147.11794	0.9
149.02493	1.0
149.04568	4.6
154.08710	2.1
161.04559	8.3
170.11870	11.5
173.04556	1.5
179.05615	15.6
180.06047	0.5
191.05592	0.6
198.11400	2.3
236.16716	0.4
262.18124	0.5
280.19122	1.7
287.05298	0.5
293.08807	2.3
298.20316	4.7
299.20663	0.8
371.17087	0.9
442.24225	1.2
460.25528	46.1
461.20511	0.4
461.25919	5.2
461.75287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2903
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
61.98835	0.3
63.60987	0.2
66.44086	0.2
71.24651	0.3
77.45889	0.2
106.97350	0.2
107.05023	28.6
108.05363	0.7
110.31155	0.2
116.92867	0.4
147.08159	0.5
163.11278	100.0
164.11612	3.7
172.88852	0.2
238.10040	0.4
280.14651	0.4
283.17017	25.8
284.17325	1.7
295.17007	16.2
296.17285	1.2
335.26520	0.2
413.34610	0.2
459.29013	73.7
460.29327	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	459.3481
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
59.01378	5.5
61.98824	2.5
64.74423	0.5
71.54299	0.7
71.54691	0.7
77.14786	0.7
78.95862	0.7
99.92606	0.9
116.92871	5.4
128.17839	0.6
135.08154	4.2
135.69440	0.5
147.03676	0.5
150.06860	1.9
152.99577	0.8
161.02429	1.6
163.07649	100.0
164.07953	3.8
176.08401	1.2
291.23358	1.2
380.49982	0.6
399.30768	0.9
401.08240	0.6
444.32394	2.5
459.34814	46.8
460.35175	6.0
468.15961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99502	0.3
59.01378	2.8
61.98829	100.0
71.01382	1.3
71.55009	0.4
72.99318	0.3
78.95877	0.3
83.01382	0.4
83.05019	0.3
85.02952	1.3
87.00881	0.3
88.41448	0.3
88.98842	1.7
89.02464	1.0
91.29560	0.3
93.03478	0.7
96.96023	0.6
101.02417	0.7
108.02179	0.4
113.02470	0.6
114.88395	0.3
119.03463	0.4
123.04567	0.4
125.02478	0.5
125.06012	0.3
130.99515	0.3
135.04515	0.4
137.02472	1.1
137.06093	0.6
147.04567	0.4
151.04027	0.5
151.05162	0.3
151.07697	0.5
152.01181	0.3
153.09203	0.5
167.03448	1.6
168.03899	0.6
169.05078	0.5
172.19427	0.3
175.35376	0.4
177.09247	0.5
179.05525	0.4
181.05089	0.3
191.05608	0.3
209.04593	0.6
221.11841	0.5
230.72696	0.3
239.09329	0.4
239.12932	0.6
329.72760	0.3
375.10977	0.3
442.11084	0.3
443.06583	0.3
460.11694	0.5
460.19632	0.5
461.11945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43766	0.3
55.01883	0.7
55.93770	0.2
57.03456	0.7
58.00603	0.7
59.01384	100.0
60.01729	0.8
61.98829	1.7
69.03473	0.3
71.01388	13.5
71.54736	0.4
72.99323	0.8
73.02950	3.4
83.01402	1.9
83.05053	0.5
85.02955	5.9
86.00152	0.3
87.00907	1.3
87.04543	1.2
89.02449	5.7
93.03490	0.4
95.01414	1.1
96.96027	0.5
97.02969	0.6
97.56679	0.3
99.00903	1.4
101.02454	10.0
101.06104	1.9
111.00914	0.4
112.01684	0.3
113.02458	6.7
119.03508	2.4
125.02499	0.8
131.03561	0.6
137.02486	0.5
143.03531	1.4
147.15323	0.3
159.03056	0.5
161.04564	4.8
161.05872	0.3
173.04596	0.8
179.03741	0.2
179.04216	0.3
179.05592	1.5
250.55717	0.3
255.19661	1.3
257.32764	0.3
297.20688	0.6
329.03113	0.3
351.21890	0.4
381.22955	1.1
399.23911	5.7
400.24008	0.5
415.77979	0.3
417.24960	8.1
418.25668	0.9
441.17596	0.4
459.12677	0.5
459.26718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
57.03447	3.4
58.00596	0.7
59.01379	100.0
59.39540	0.2
60.01711	0.7
61.98837	1.9
64.25569	0.2
67.01902	0.3
68.99826	0.3
69.03474	0.5
69.89214	0.2
69.89523	1.3
71.01382	15.8
71.05027	0.3
72.99311	1.0
73.02945	6.2
74.03351	0.3
75.00876	0.6
79.08864	0.2
81.03480	0.3
83.01385	3.1
84.02170	0.7
85.02950	26.0
86.03308	0.5
87.00867	1.5
88.42251	0.2
89.02444	8.3
93.03457	0.3
95.01381	1.3
95.17604	0.2
96.96040	0.3
97.02936	0.5
99.00901	1.0
101.02441	10.2
103.00380	0.6
109.02953	0.9
111.00874	1.8
113.02451	7.9
115.00372	0.4
119.03495	3.3
119.05049	0.2
121.02969	0.4
121.36064	0.2
125.02471	0.7
129.01939	2.4
131.03534	0.5
137.02547	0.2
143.03522	0.9
147.02992	3.3
149.04512	0.4
153.01991	0.4
158.29616	0.2
159.02982	0.5
161.04546	4.8
167.03571	0.5
173.00948	0.8
179.05666	0.8
181.55948	0.2
189.96237	0.2
191.01965	9.6
191.05647	0.8
192.02415	0.3
209.02985	0.5
209.04721	0.4
223.13388	1.7
255.19662	1.5
267.12463	1.3
279.16068	0.3
299.78427	0.2
339.05264	0.3
399.23990	3.6
400.24298	0.4
417.24939	11.8
418.25333	1.1
441.14093	0.3
459.09787	0.4
459.15698	1.9
459.26917	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	459.2599
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
52.91652	0.1
55.01881	0.5
57.03450	0.5
58.00610	0.4
59.01378	100.0
60.01715	0.9
69.03484	0.2
69.24081	1.1
69.24480	0.2
71.01380	10.1
71.05019	0.2
72.99318	0.3
73.02951	3.1
74.03295	0.1
75.00887	0.2
75.77568	0.2
83.01386	1.7
85.02951	3.7
86.00113	0.2
87.00899	0.7
87.04523	0.9
89.02442	3.9
95.01396	0.9
97.02939	0.3
99.00874	1.0
101.02440	7.1
101.06081	2.2
111.00907	0.2
112.01709	0.2
113.02450	5.1
119.03502	1.7
125.02465	0.6
131.03525	0.2
143.03520	0.6
149.04616	0.2
150.63486	0.1
153.48161	0.1
159.03018	0.4
161.04538	2.9
161.05711	0.2
169.73087	0.1
175.29243	0.2
179.05606	1.0
255.19618	0.9
297.20624	1.1
306.26337	0.1
329.20209	0.2
351.21805	0.2
381.23108	0.2
399.23859	6.4
399.52313	0.2
400.24304	0.5
417.24893	9.4
418.25092	0.9
459.26184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05247	0.3
50.56326	0.3
55.01880	0.9
57.03450	1.2
58.00587	0.4
59.01382	100.0
60.01712	1.1
60.35702	0.3
61.98835	3.4
71.01386	9.5
71.55054	0.3
71.55486	0.4
72.99303	0.4
73.02946	4.4
75.00893	0.4
79.95741	0.7
83.01396	1.8
85.02956	5.9
87.00896	0.8
87.04540	1.0
89.02447	4.6
93.03473	0.6
95.01395	0.8
96.96010	1.5
97.02993	0.4
99.00904	0.8
101.02444	7.9
101.06104	1.1
101.95601	0.3
102.70766	0.3
103.04023	0.4
111.00879	0.6
113.02444	4.3
119.03506	1.5
121.02996	0.8
125.02446	0.7
129.01985	1.1
134.03767	0.3
136.95206	0.3
137.02510	0.4
139.04031	0.5
141.02002	0.3
143.03506	0.8
149.04587	0.4
149.06111	0.5
151.23660	0.3
160.01616	0.4
161.04538	3.0
167.01736	0.4
173.04581	0.5
175.04132	0.5
179.05675	1.2
182.15147	0.4
191.01996	0.8
191.05675	0.5
193.05064	0.5
225.08900	0.3
255.19777	0.8
256.99683	0.4
297.20813	0.4
356.15421	0.3
372.13290	0.4
372.64035	0.5
381.22998	0.4
399.23950	3.7
417.24985	5.7
417.30164	0.5
418.25507	0.4
459.22986	0.7
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
55.01880	0.3
57.03444	0.5
58.00613	0.1
59.01378	100.0
60.01720	0.7
60.02008	0.1
60.27506	0.1
69.03471	0.1
69.15494	0.1
69.34092	0.7
69.34494	0.2
71.01381	8.3
72.99311	0.1
73.02949	2.2
75.00878	0.2
83.01382	1.2
85.02948	4.2
87.00900	0.5
87.04511	1.0
89.02449	1.9
90.64268	0.1
95.01382	1.1
97.02950	0.3
98.20596	0.2
99.00871	1.0
101.02442	3.5
101.03103	0.2
104.17962	0.1
113.02448	7.0
114.02817	0.1
119.03521	0.5
125.02454	0.2
129.02003	0.1
143.03465	0.5
159.02979	0.5
161.04544	3.8
161.05879	0.2
162.05009	0.2
179.05559	0.2
191.01961	0.1
201.34164	0.1
215.66702	0.1
255.19734	0.4
282.16544	0.1
369.22791	0.2
382.23508	0.1
399.23846	9.4
400.24033	0.9
417.24918	3.6
418.25378	0.4
459.27002	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
57.01429	0.3
57.03452	1.5
58.00584	0.3
59.01377	100.0
60.01717	1.2
61.01782	0.3
61.98836	1.6
63.55105	0.3
63.80323	0.3
67.01887	0.4
69.02407	0.3
69.03465	0.5
70.83202	0.6
71.01378	15.1
72.99306	0.6
73.02944	6.3
83.01391	2.1
83.01806	0.3
85.02946	7.9
87.00893	1.2
87.04503	1.3
89.02441	6.5
89.03011	0.3
90.93934	0.3
93.03452	1.9
95.01393	1.4
97.02951	0.4
99.00864	1.3
101.02438	9.8
101.06125	0.4
111.00910	0.8
111.04536	0.5
113.02448	8.3
116.92891	0.3
119.03476	2.4
122.03745	0.8
125.02470	0.7
129.01923	0.4
131.03543	0.3
135.04498	0.3
137.02475	0.4
143.03505	1.2
147.02995	0.5
155.03514	0.3
159.03043	0.4
161.04565	3.8
167.10841	0.3
173.04555	3.5
179.05653	0.8
191.02026	1.2
191.05522	1.9
211.04106	0.3
212.79936	0.2
241.08627	0.3
242.08325	0.3
255.19725	0.9
285.07962	0.6
297.20889	0.3
327.14639	0.4
327.21866	0.5
329.19733	0.6
341.17285	0.3
381.22882	0.6
399.23846	13.1
400.24319	1.2
417.24930	9.8
418.25357	1.0
459.13202	0.6
459.22229	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	459.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27585	0.8
52.77273	0.8
54.45614	1.0
55.01883	1.7
57.03448	6.0
58.00596	1.6
59.01378	100.0
60.01702	1.4
61.01806	1.1
61.98825	3.8
69.03453	2.4
69.24442	3.7
69.24873	4.5
71.01383	24.6
72.99303	1.8
73.01792	1.0
73.02951	12.1
75.00870	1.2
76.14156	0.7
83.01397	3.5
83.05018	1.0
84.02161	1.1
85.02950	39.8
85.03471	2.1
85.78030	0.8
86.03262	0.9
87.00867	3.4
89.02444	20.7
90.02789	1.8
91.02810	1.4
93.03462	2.7
95.01397	1.4
97.02938	2.2
99.00874	2.4
101.02436	17.1
101.96891	0.8
103.00378	0.9
111.00887	3.2
113.02440	6.5
117.03461	5.0
119.03516	7.0
119.05012	1.6
121.02975	2.7
125.02492	5.4
126.02757	1.6
127.31013	0.8
129.01926	6.9
131.03462	2.4
135.04587	1.5
136.80989	0.9
143.03491	2.1
145.02939	3.7
147.02997	5.6
148.05307	4.3
149.02419	1.4
149.04543	1.9
149.05634	2.5
150.05907	1.2
161.02415	2.2
161.04549	2.9
163.03990	3.9
163.07661	1.8
173.04576	1.4
177.02020	1.1
179.05598	3.0
181.01476	2.0
187.11264	1.7
191.01947	14.0
191.03470	1.5
191.05554	4.4
193.01328	1.2
205.42598	0.9
209.03033	1.7
213.05629	1.5
218.41792	1.0
223.13319	7.8
224.84938	0.9
233.06519	1.3
234.07083	2.5
235.07239	1.8
241.04997	1.0
267.12344	7.9
268.03726	4.5
269.04565	4.1
271.38559	0.8
281.04587	3.7
282.05270	1.3
283.06091	14.3
285.07581	2.8
293.04367	1.3
295.06128	2.1
295.09268	2.4
300.02838	1.1
311.05579	32.0
312.05917	2.3
313.03409	5.8
323.05542	4.4
339.05048	1.1
341.06631	5.7
369.15488	1.4
382.39407	0.9
413.08649	10.6
431.09650	1.8
459.09259	16.8
459.22745	6.2
460.09274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
57.03452	2.6
58.00601	2.0
59.01384	100.0
60.01741	1.1
61.98816	1.3
63.74726	0.8
69.03458	1.9
71.01389	44.7
71.23272	1.5
72.15200	1.0
72.99319	2.1
73.02951	64.1
75.00861	1.2
83.01390	19.8
85.02954	17.7
87.00905	2.2
89.02448	14.0
95.01379	1.4
97.02995	1.5
99.00896	2.6
101.02446	55.7
111.00873	1.4
113.02454	14.4
118.25965	0.9
118.92797	0.8
119.03527	4.0
120.77544	0.9
121.02947	1.4
125.02456	1.8
129.01949	4.6
131.03520	4.0
143.03477	5.5
147.02968	1.5
149.04593	4.9
155.03471	2.3
155.50888	1.0
161.04562	13.1
169.29373	0.8
173.00789	1.0
191.01947	3.4
193.12338	8.7
195.54808	0.9
209.02942	1.0
209.06648	4.1
209.42297	0.9
211.13243	1.0
223.13402	1.3
267.12555	1.0
313.05725	1.6
345.98672	0.9
355.17538	3.4
373.18695	11.1
399.23981	1.4
415.19736	47.3
416.19962	4.2
459.18118	9.8
460.18396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92432	0.7
55.01880	1.1
57.03446	4.6
59.01376	100.0
60.01702	0.9
61.98827	1.8
69.56080	4.6
71.01379	21.2
72.99289	1.2
73.02944	29.0
75.00890	0.7
81.03464	0.6
83.01382	10.5
85.02946	35.0
87.00881	1.8
89.02445	5.7
95.01406	1.8
96.96033	1.4
97.02946	0.9
99.00896	1.3
101.02439	26.2
102.98253	0.6
111.00896	4.7
111.36298	0.6
113.02444	9.8
119.03512	2.3
119.05013	3.0
121.02934	5.3
125.02435	1.6
129.01949	6.0
131.03513	2.2
133.06607	0.9
134.03763	1.2
135.04527	1.3
143.03513	2.4
145.02977	1.6
147.03008	2.5
147.11760	0.7
149.04572	2.0
153.04979	0.6
161.02489	0.8
161.04558	7.4
161.05936	0.9
163.03993	3.7
173.00943	2.2
181.41321	0.7
189.05580	1.6
191.01968	3.5
193.12317	15.5
193.13947	1.0
194.37595	0.7
218.11940	0.7
221.06767	1.2
237.15005	0.9
251.05597	1.4
254.62790	0.8
255.16087	1.0
313.05692	1.8
332.94211	0.6
345.15839	0.8
346.82489	0.7
373.18848	2.0
399.23904	5.4
415.19641	7.4
416.20593	1.0
417.25443	1.2
459.22681	3.1
460.18378	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	459.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95834	0.8
58.00584	1.0
59.01104	1.5
59.01375	15.0
62.17902	0.8
69.99364	1.4
69.99769	2.4
71.01387	11.0
72.00906	2.1
72.99338	1.1
73.02946	51.7
74.02486	1.1
75.00911	0.8
75.87617	0.7
83.01395	1.1
85.02945	1.6
87.00876	0.8
89.02441	14.8
99.00883	4.4
101.02453	4.9
103.96262	0.8
104.61376	0.8
113.02465	4.8
116.21290	0.7
116.92873	2.3
117.01940	100.0
118.02289	1.7
118.05108	11.2
119.03524	5.7
134.98303	0.7
149.04584	2.1
153.09476	0.7
161.04512	1.3
175.86252	0.8
177.38998	0.9
179.05597	7.9
191.05614	2.3
212.67918	0.8
285.61728	0.8
288.39764	0.9
341.10876	23.6
342.11169	2.7
420.44220	0.8
439.49838	0.8
459.60422	0.8
460.17621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74979	0.5
55.01884	2.7
55.56798	0.5
55.77758	0.5
57.03450	14.7
57.64363	0.4
58.00583	0.8
59.01379	25.5
61.54200	0.4
61.98832	3.4
65.73562	0.5
66.70449	0.4
68.99805	0.5
69.15555	0.5
69.46600	3.7
69.46999	1.1
71.01381	7.6
72.99335	1.2
73.02952	1.5
75.00871	1.7
75.71932	0.4
80.03144	0.5
80.16244	0.5
83.01378	2.2
84.02150	1.9
85.02950	100.0
86.03288	1.8
86.21809	0.5
87.00880	2.1
89.02430	5.1
101.02469	3.6
103.00385	1.6
111.00873	2.7
113.02457	1.4
115.00365	1.0
119.03533	2.9
119.05021	0.7
123.21449	0.6
129.01955	10.7
135.04501	1.9
147.03004	10.7
148.02057	0.5
160.32625	0.6
161.04518	0.9
163.02628	0.6
163.03952	0.6
173.00903	1.8
179.05585	1.0
187.11237	0.6
191.01973	43.4
192.02380	1.1
209.01056	0.6
209.03008	9.8
223.13390	5.5
253.19873	0.5
267.12427	4.8
313.03372	0.8
317.91428	0.5
350.62799	0.5
353.87769	0.5
369.15372	0.8
395.43579	0.5
412.40732	0.6
441.13943	2.8
459.14780	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	459.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01373	3.5
69.77569	3.1
69.77980	4.5
71.01392	2.5
73.02956	4.6
81.03465	6.1
83.01388	9.2
84.44317	1.3
85.02959	5.2
85.97514	1.3
86.12289	1.7
89.02410	1.3
93.03465	3.9
95.05032	8.8
97.02934	6.4
99.04543	3.2
101.02471	1.4
107.05006	1.6
109.02951	3.8
111.04521	1.7
113.02473	2.3
121.02997	1.5
123.04529	18.1
125.02448	20.7
125.06061	2.4
126.19637	1.4
135.04506	4.9
137.02451	11.1
137.06078	10.0
139.04025	9.1
141.05531	1.7
149.02419	2.5
149.06050	3.5
151.04004	5.9
153.05467	1.6
163.04004	1.9
164.04733	1.7
165.01968	1.9
165.05586	4.3
167.03505	64.2
167.04947	3.1
168.03870	1.8
177.01973	1.5
177.05611	4.7
177.11411	1.4
179.03500	26.3
181.05063	4.5
191.03465	3.1
193.05020	14.0
197.04558	6.0
205.04929	1.8
209.04556	100.0
210.04919	2.7
211.06093	2.1
219.09999	1.9
221.04555	40.2
222.05008	2.2
223.06079	1.7
233.04584	3.2
239.05603	44.4
240.05884	1.7
249.03981	1.6
251.05598	18.1
253.07146	3.7
265.03494	1.8
265.07211	3.6
268.99051	1.3
295.08273	12.5
296.08450	2.2
321.06253	1.6
325.09277	9.2
339.07196	96.0
340.07544	5.4
351.07239	3.2
369.08276	37.1
437.87103	1.9
441.10205	8.6
459.11423	65.3
460.11783	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	459.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.03448	3.1
59.01377	7.7
60.01723	0.3
61.01804	0.3
68.05754	0.3
68.99788	0.5
69.03457	0.5
69.31422	0.6
69.31828	2.1
71.01384	5.7
72.01720	0.4
72.99284	0.6
73.02950	1.5
74.16535	0.3
75.00864	0.4
83.01403	1.1
85.02953	16.6
87.00869	1.0
89.02428	3.4
90.02769	0.6
91.02834	0.4
93.03456	0.6
95.01382	0.5
96.95992	0.7
96.96940	0.5
97.02946	1.2
99.00887	1.3
101.02444	1.8
104.19910	0.3
107.05035	8.7
108.05369	0.4
109.02991	0.4
111.00884	1.2
113.02453	1.2
115.03973	0.7
115.53418	0.3
117.03468	25.7
118.03783	0.6
119.05029	8.9
121.02961	2.2
123.04521	0.6
125.02435	0.9
129.01949	4.9
131.03497	0.4
135.04491	0.4
145.02953	100.0
146.03296	3.8
147.03023	1.5
148.05275	1.4
149.04538	0.3
149.05634	0.8
150.05821	0.3
151.04002	2.2
159.02998	0.7
159.04495	0.3
161.04591	0.5
161.06116	0.6
163.02745	0.6
163.04016	7.7
163.07553	0.4
173.00926	0.9
187.03978	0.5
187.11319	0.4
191.01987	3.0
191.05635	1.1
205.05026	0.4
209.06657	6.4
210.06868	0.6
211.07739	2.9
214.65663	0.3
220.72639	0.3
223.13426	1.2
233.06804	0.4
235.07243	0.6
247.06038	0.4
251.05634	0.6
253.08739	0.9
293.08963	0.4
294.09097	0.4
295.09268	1.1
307.08218	15.9
308.08679	1.2
313.05615	1.2
337.13971	0.3
368.47125	0.4
415.13962	28.0
416.14386	2.9
441.11996	0.4
459.12943	8.6
459.18863	7.9
460.13312	0.7
460.18997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98829	1.1
77.89062	0.4
88.07700	1.1
94.40375	0.5
114.05640	1.2
116.92838	0.6
133.90367	0.4
163.07684	1.3
171.08760	0.4
283.24454	1.4
299.43994	0.6
398.30600	7.2
464.27777	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.0
61.98830	1.8
62.99619	0.5
71.55318	0.7
75.00877	1.6
80.51354	0.5
85.02977	1.1
93.03430	1.0
94.60974	0.4
96.49005	0.4
96.60746	0.5
121.02960	100.0
122.03297	2.9
167.03534	0.5
180.05809	1.3
181.06619	5.6
181.08049	0.9
182.06786	0.5
197.10184	0.4
209.04532	1.9
225.05577	9.3
226.05977	0.7
270.88275	0.5
313.07181	23.1
314.07330	1.3
316.50635	0.5
357.06107	4.5
401.08759	70.3
402.09232	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	458.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38655	1.0
55.01870	3.5
57.03452	13.2
58.00587	5.7
59.01383	100.0
61.98832	11.3
65.18034	0.9
67.01874	1.3
69.03462	3.2
69.38605	5.5
69.39021	2.6
71.01386	90.1
71.05019	6.3
72.01693	1.4
72.04545	3.4
72.99295	6.4
73.02950	17.1
75.00865	4.2
76.98527	0.9
83.01390	8.7
83.04998	2.1
84.02160	1.5
84.04558	1.0
85.02956	42.4
87.00880	7.7
87.04511	3.5
89.02449	69.7
89.87365	0.9
91.05540	1.7
93.03461	2.2
95.01398	7.1
96.00880	1.0
96.96021	1.4
97.02923	1.6
99.00900	6.3
101.02444	58.4
105.07096	1.0
107.08680	10.2
109.06591	3.7
111.00906	1.5
112.07706	1.3
113.02454	39.7
114.05614	13.6
115.69328	0.9
119.03505	28.5
119.04991	1.5
119.08656	9.9
120.05310	1.1
122.02484	10.4
123.04536	2.4
123.08126	1.1
124.04919	1.0
125.02471	5.6
129.01949	3.9
130.08743	9.7
131.03484	4.4
131.04362	0.9
135.04474	2.3
135.08173	3.3
135.09264	0.9
137.09703	1.5
138.04478	1.1
143.03506	5.6
145.02971	1.9
145.05054	3.0
145.09177	2.1
145.10237	25.3
147.02985	1.1
147.08115	1.3
149.04539	1.5
155.03439	1.2
156.10312	6.7
159.03052	4.9
161.02451	2.3
161.04576	22.3
162.04919	1.5
163.11319	10.5
167.03500	2.5
168.00667	2.1
173.04544	2.8
176.10725	1.1
177.01878	1.3
178.02553	1.3
179.03545	2.9
179.05612	8.3
179.07059	1.3
180.03877	2.2
181.12344	3.0
191.01990	4.3
191.05595	5.3
193.04973	1.2
196.13506	2.7
197.04518	1.7
206.11954	2.4
207.10152	1.5
208.13469	3.5
212.83432	1.0
216.13855	1.2
220.13399	1.2
222.15036	8.0
224.16574	4.0
234.14948	8.1
235.08179	2.4
242.15556	2.1
252.16002	9.6
260.16388	5.7
276.10849	1.2
278.17596	19.1
279.17874	2.1
296.07736	2.9
296.18686	40.7
297.18896	1.9
311.09659	1.5
328.32233	1.0
330.94479	1.1
383.07663	2.0
384.20212	9.6
396.20230	18.4
397.20740	1.3
414.21463	6.1
422.21829	15.6
423.21848	1.2
440.22958	5.1
458.14157	8.3
458.23984	47.3
459.11725	3.0
459.24210	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	457.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23886	5.6
59.01377	78.9
61.98816	13.0
63.13338	6.1
71.01377	56.5
71.54416	10.9
89.02451	96.3
95.01418	8.2
101.02470	15.5
112.56594	6.0
113.02451	18.6
119.03513	13.6
143.03444	9.0
179.05588	23.0
242.44568	7.6
277.21729	100.0
278.21921	8.5
347.21848	7.5
456.35333	7.2
457.36282	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88953	0.2
53.00974	0.2
59.01385	0.6
61.98828	100.0
69.60321	0.5
69.60730	1.1
93.03436	0.3
101.02463	0.3
119.70010	0.2
145.02962	0.3
163.04013	0.3
173.04533	0.2
191.05661	0.4
286.61703	0.2
458.12946	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00901	68.2
61.98827	2.1
68.73344	1.0
69.22218	5.0
69.22636	3.8
70.66924	1.3
73.07238	1.0
86.29655	1.1
116.92854	1.5
147.08157	2.3
163.11258	2.2
187.11191	2.6
191.61295	1.2
252.93700	1.1
278.16006	1.1
309.22345	2.4
337.21719	100.0
338.22128	8.7
346.95950	1.2
458.23682	19.8
459.23877	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	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
57.03455	0.4
58.00613	0.5
59.01379	100.0
60.01708	0.7
61.19829	0.3
61.98835	1.2
69.03458	0.6
70.92264	0.7
71.01382	15.7
72.99294	0.8
73.02947	8.7
83.01392	2.2
83.05057	0.4
85.02949	4.8
87.00879	0.8
89.02446	9.7
93.03492	0.5
95.01379	1.6
97.03000	0.4
99.00896	0.8
101.02438	10.0
111.08181	0.3
113.02449	12.4
119.03494	3.5
125.02440	0.6
129.02026	0.3
131.03535	0.9
139.04044	0.5
143.03476	1.3
148.05348	0.4
149.04573	0.6
161.04579	3.7
173.04520	0.7
179.05640	1.5
191.05611	2.3
235.16983	0.3
253.18097	0.6
397.22311	2.4
398.22449	0.3
415.23444	2.3
416.23953	0.3
457.16919	0.4
477.63980	0.3
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
55.01880	0.6
57.03443	0.7
59.01379	100.0
60.01707	1.0
61.98822	0.5
71.01382	11.4
72.99323	0.6
73.02950	3.3
74.02492	0.8
81.03485	0.4
83.01389	1.3
83.59438	0.2
85.02952	4.2
85.06471	0.3
87.00909	0.7
89.02444	8.3
95.01402	1.2
98.20766	0.5
99.00893	0.7
99.04488	0.3
101.02441	6.1
113.02448	8.8
115.05176	0.6
119.03503	2.7
125.02480	0.9
130.08771	1.0
131.03537	0.8
143.03522	1.2
148.05304	0.6
149.04587	0.7
149.09679	0.3
151.04030	0.9
156.97113	0.2
157.13524	0.3
159.03049	0.3
161.04550	2.8
173.04491	0.3
175.02516	0.4
179.05661	1.1
183.11496	0.2
188.24194	0.3
191.05635	1.4
210.15993	0.3
268.08261	0.3
293.08844	0.3
397.22482	2.5
413.23557	1.4
415.23380	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	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03451	0.7
58.00600	0.7
59.01380	100.0
60.01717	0.7
61.98817	0.4
69.23858	2.7
71.01384	23.2
72.61006	0.3
72.99308	0.9
73.02949	6.7
83.01384	2.0
85.02941	5.2
85.03401	0.4
87.00896	1.1
89.02446	27.9
90.02793	0.5
95.01404	1.4
97.03004	0.3
99.00916	1.0
101.02447	15.1
101.06128	0.4
102.02866	0.4
113.02453	11.3
119.03500	11.8
125.02448	0.7
131.03471	1.7
135.04565	0.9
137.02463	0.4
141.06412	0.3
143.03496	2.4
147.11812	0.4
149.04585	1.3
150.73523	0.4
159.03091	0.5
161.04552	3.9
161.05727	0.4
163.04056	0.9
173.04553	0.3
178.06381	0.8
179.05608	6.3
179.06998	0.5
193.08731	1.0
271.02805	0.4
285.04083	0.5
313.03616	0.6
317.50113	0.3
328.30707	0.3
385.18307	1.6
397.22479	0.8
415.23694	0.6
457.20370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59873	0.1
56.87914	0.1
61.98846	0.2
64.42500	0.1
68.18471	0.1
69.61417	0.7
73.03005	0.1
98.20628	0.3
99.92583	5.6
100.92671	0.3
100.93360	4.4
101.93410	0.2
115.92075	100.0
116.92082	3.8
116.92865	5.6
117.92550	0.2
132.92343	1.1
142.45364	0.1
142.94412	0.3
155.95222	0.3
169.55505	0.1
172.95465	5.1
173.95657	0.2
241.79164	0.1
248.50229	0.1
283.26456	0.7
285.46484	0.1
383.18924	0.5
384.19424	0.3
399.18414	0.4
409.20462	0.9
410.21161	0.2
439.21689	0.3
457.22595	6.6
458.22833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79152	0.2
51.69591	0.3
57.03410	0.4
58.99606	11.3
59.01382	3.5
61.98811	0.8
67.77684	0.3
71.01334	0.3
71.43969	0.7
73.98289	0.9
74.99092	2.1
83.85831	0.4
87.00420	0.4
87.00877	5.7
89.70096	0.3
96.12695	0.3
102.98605	5.1
123.00775	0.4
129.01933	1.5
139.00333	0.4
178.02728	0.4
191.14401	0.4
193.05006	0.7
225.09326	0.4
231.21101	1.1
237.18431	0.4
246.03137	0.3
249.18701	0.7
249.22084	0.4
265.21664	2.7
275.20154	9.0
276.20566	0.4
291.19839	0.5
293.21228	39.0
294.21588	3.3
309.18930	23.0
310.19391	1.6
327.19983	100.0
328.09567	0.4
328.20313	8.3
332.14832	0.4
335.20288	0.4
353.21594	4.0
369.21069	2.3
388.11731	2.7
397.20526	28.0
398.20731	2.6
415.21597	31.8
416.21716	2.2
421.04562	0.3
454.56052	0.4
457.22720	42.4
458.23032	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	457.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.2
59.01381	100.0
60.01723	1.2
61.98828	2.0
69.32820	2.3
71.01383	2.1
73.02966	0.4
83.01407	0.4
83.05048	1.1
85.02959	2.2
89.02460	0.9
93.03451	0.4
97.06617	1.1
101.02444	1.0
105.03476	0.8
108.02202	2.0
109.02985	1.5
111.00891	0.6
113.02467	1.1
121.02982	1.1
123.04534	6.3
127.04036	0.5
130.08734	0.3
130.20296	0.4
137.02472	0.8
141.05603	0.5
145.05066	0.5
149.02461	5.2
152.01172	2.5
153.01965	1.1
159.06616	0.5
161.02438	0.7
161.04610	0.7
167.03465	4.5
178.06395	1.6
181.05113	0.5
193.08698	13.6
194.08990	0.6
223.50258	0.4
238.06610	0.5
246.79369	0.4
329.08929	0.6
413.14359	0.5
421.11432	0.8
444.65952	0.4
457.13278	10.4
458.13834	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09296	0.4
55.01883	0.4
56.75144	0.4
57.03448	9.2
58.00603	0.8
59.01381	100.0
59.04415	0.4
60.01725	0.9
61.98833	4.1
63.82249	0.4
65.59733	0.3
68.04823	0.4
69.36749	3.1
71.01383	12.1
72.99303	0.9
73.02958	1.2
75.00874	0.5
83.01389	0.9
85.02962	4.4
87.00863	0.9
89.02448	20.0
91.01914	1.3
93.03461	2.1
95.01414	1.0
98.02482	0.5
98.19933	0.7
99.00967	0.6
99.04534	5.6
101.02444	8.1
108.02180	0.7
111.00891	0.5
113.02457	5.8
114.61389	0.3
119.01382	0.7
119.03506	7.3
119.04951	0.4
121.03004	2.9
123.04550	1.1
125.02447	3.6
127.03251	0.4
129.01929	0.4
130.08760	1.8
131.03532	1.2
131.09085	0.7
133.02977	0.4
135.04565	0.9
137.02463	1.6
143.03525	1.4
147.04555	0.4
149.02419	0.9
149.04623	0.7
149.06123	1.2
151.04008	24.2
152.01219	0.5
152.04321	0.5
153.50172	0.4
156.78954	0.4
161.02478	0.5
161.04584	3.5
163.04021	0.6
167.03499	1.0
173.04559	0.6
177.05554	0.4
179.03745	0.5
179.04010	0.7
179.05612	5.2
191.02003	0.7
191.05655	1.2
193.05101	0.5
197.08270	0.6
198.08443	0.7
281.06879	0.5
309.07831	0.8
309.18961	0.6
337.07181	1.5
353.17987	0.6
379.17590	4.0
397.18735	2.4
410.64075	0.4
413.20239	0.9
457.12097	1.6
457.21530	0.7
461.22559	0.4
482.34647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84047	0.3
57.03443	0.5
57.67412	0.3
59.01379	100.0
60.01715	0.8
61.98836	0.5
70.00880	1.1
71.01382	6.4
72.99332	0.8
73.02956	1.9
75.38802	0.3
83.01409	1.0
83.42941	0.3
85.02943	2.3
87.00878	0.5
89.02450	4.8
93.03469	0.6
95.01383	0.4
99.00900	1.1
101.02448	3.9
105.67704	0.3
106.92992	0.3
112.15226	0.3
113.02458	3.2
114.60081	0.3
115.28462	0.2
119.03491	1.9
121.02959	0.4
125.02456	0.4
131.03525	0.8
133.02983	0.3
134.03767	0.5
135.04552	1.2
137.02489	0.5
143.03554	1.1
148.05284	0.7
161.04602	0.7
163.04051	1.0
169.96582	0.3
173.04631	1.2
178.06381	1.2
178.15118	0.3
179.05675	1.1
193.08685	2.1
238.61636	0.3
242.73735	0.3
259.69885	0.3
270.01868	0.7
295.08347	0.5
313.03708	1.0
385.18680	0.9
397.22665	0.5
415.23312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01711	0.9
61.98830	1.7
71.01381	9.2
71.54541	0.4
72.99315	0.5
73.02944	9.0
83.01385	1.9
85.02953	2.1
87.00871	0.4
87.56563	0.3
89.02438	4.7
93.03452	0.5
95.01417	0.7
97.02956	0.3
99.00860	0.4
101.02439	7.8
105.32761	0.2
109.05257	0.3
113.02456	6.0
119.03465	1.7
121.02995	0.3
125.02464	0.5
129.16902	0.3
131.03493	0.7
134.81630	0.2
135.04546	0.6
137.02441	0.4
138.02682	0.2
143.03522	0.6
145.22899	0.3
149.04561	0.6
150.59618	0.3
161.04538	2.1
163.04031	1.0
173.04616	0.9
178.06422	1.1
179.05669	0.5
191.05583	2.0
193.08728	1.5
366.42706	0.3
397.22522	0.9
415.23471	0.5
457.18576	0.3
472.78320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03449	1.6
58.00613	1.4
59.01380	42.7
61.98847	3.1
71.01382	22.8
72.99319	2.8
73.02951	1.8
83.01402	1.8
85.02957	8.0
88.98818	3.0
89.02446	23.7
93.03516	1.2
95.01414	1.5
95.05046	3.8
96.96011	1.2
101.02448	14.6
109.02990	1.6
111.04537	1.7
113.02489	7.4
113.06102	1.6
119.03587	10.6
119.05025	54.8
120.05368	2.3
121.06628	2.1
123.08170	2.7
129.07141	1.1
131.03584	1.4
134.03732	1.2
135.04530	2.1
137.06128	2.6
143.03543	2.2
149.04660	1.9
149.05974	1.0
155.07161	1.0
161.04619	1.6
163.04008	61.7
164.04399	3.2
165.09229	1.0
171.11774	2.8
173.04645	1.2
179.03551	2.9
179.05646	2.3
179.07181	0.9
181.05142	1.2
183.44839	0.9
187.07558	1.0
189.12816	5.3
191.05632	2.5
215.10760	2.2
233.11876	2.2
277.10812	6.5
302.11505	1.1
325.09299	5.3
397.17188	1.3
457.17337	100.0
458.17651	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	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86926	0.3
55.01874	1.5
55.27087	0.4
57.03442	1.0
58.00593	3.0
59.01379	69.6
60.01723	0.4
62.48386	0.3
67.01890	0.4
69.03455	6.7
69.19913	1.0
69.20340	2.8
71.01382	68.9
72.01700	0.4
72.99307	2.8
73.02946	10.0
75.00874	2.8
79.01905	1.2
81.03450	4.0
83.01386	4.7
83.05042	0.4
85.02954	7.6
87.00858	2.0
89.02444	100.0
89.48290	0.3
90.02769	1.7
93.03439	0.4
95.01391	2.4
97.02946	11.8
98.20683	0.6
99.00878	15.6
99.04535	2.1
101.02441	14.9
107.01376	1.0
109.02935	0.6
111.00909	2.3
113.02451	7.2
115.04005	7.2
117.01940	0.8
119.03478	2.2
121.02930	0.5
123.00922	0.4
125.02446	48.3
126.02792	0.7
127.04021	2.0
131.03505	10.3
143.03499	3.9
147.04509	0.8
148.05304	57.4
149.04564	13.4
149.05676	1.7
155.03481	0.4
156.73711	0.4
160.79411	0.3
161.04546	2.3
163.07642	16.3
164.07954	0.5
173.04536	0.8
191.05600	8.9
194.08766	0.3
233.06650	41.1
234.06972	1.2
271.65720	0.3
293.08768	35.1
294.09106	1.4
473.63339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79607	0.8
55.01872	0.9
57.03452	1.4
58.00595	1.2
58.10337	0.7
59.01378	42.8
61.98829	1.7
69.87225	3.4
69.97760	0.9
71.01381	25.6
72.99310	1.6
73.02946	1.9
83.01389	1.4
85.02947	5.7
87.00867	1.5
88.98794	3.9
89.02442	26.6
90.11799	0.7
90.96178	0.8
92.10016	0.8
93.03457	1.2
93.90527	0.8
95.01385	1.4
95.05048	2.3
99.04513	1.3
101.02435	17.0
109.02953	1.6
111.04533	1.0
113.02448	7.8
113.06075	2.5
119.03564	11.2
119.05017	47.8
120.05338	1.2
121.06598	2.0
122.03725	1.2
123.08177	3.2
129.07092	1.0
131.03548	1.5
135.04546	1.6
137.06090	1.4
149.04550	1.8
161.04616	1.1
161.87485	0.7
163.04001	46.9
164.04411	2.4
169.10184	0.7
171.11810	3.0
179.03564	2.4
179.05678	1.4
181.05096	0.9
189.12811	5.8
191.05612	2.3
196.82362	0.8
205.04996	1.0
215.10873	2.2
233.11827	1.8
277.10825	6.0
325.09390	5.1
413.17978	1.1
457.17221	100.0
458.17542	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	457.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03092	0.5
59.01375	0.9
61.98842	0.9
71.44574	0.9
83.55831	0.5
87.65794	0.5
102.34507	0.5
122.71277	0.6
132.02185	0.5
134.00087	0.6
151.04105	0.6
152.06065	0.5
154.04243	2.3
156.02144	2.3
161.02505	1.0
169.02888	0.7
175.87451	0.6
182.03711	1.3
186.03221	3.0
198.03166	2.9
213.01807	0.6
214.02722	1.8
226.02744	4.2
229.05093	3.1
229.08676	0.6
241.01338	1.0
242.02180	12.7
254.02124	1.6
257.00754	0.8
257.04471	1.7
270.01688	75.9
271.02054	4.7
285.04047	29.5
286.04346	1.5
298.01212	5.5
312.99738	1.2
313.03531	74.5
314.03937	5.4
328.05878	100.0
329.06216	7.0
360.95505	0.6
415.16177	0.5
457.15195	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1506
Annotation	deoxytryptoquialanone
Peak:m/z	Relative Intensity
55.33662	0.4
59.01364	0.5
61.98819	1.1
62.31105	0.3
62.76021	0.3
67.76685	0.3
71.52789	0.4
101.83253	0.3
116.92819	0.4
133.03020	0.4
134.00111	0.5
142.04134	0.4
145.02904	0.8
149.99573	0.5
154.04240	1.8
156.02190	2.8
158.03749	0.8
158.98619	0.4
169.06589	0.9
170.03694	1.1
175.00339	0.5
182.03706	1.1
185.06029	0.7
186.03247	2.4
197.02281	0.4
198.03215	3.5
213.05533	0.6
214.02666	2.5
225.01819	0.4
226.02667	4.0
226.49524	0.4
229.05060	2.4
241.01479	0.7
241.05009	0.6
242.02209	13.7
243.02591	1.1
254.02168	2.0
257.00827	1.0
257.04578	1.4
260.18350	0.3
269.04376	0.4
270.01682	75.6
271.02045	3.6
271.58472	0.4
273.07715	0.8
285.04050	29.0
286.04382	1.3
298.01166	5.3
299.01596	0.5
313.03534	69.6
314.03888	4.1
328.05872	100.0
329.06232	8.3
457.15131	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	457.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03402	0.6
59.01373	2.8
60.99307	13.3
71.01382	1.6
71.27592	1.1
73.02955	0.7
85.02956	2.5
87.00880	1.1
88.00427	1.0
88.98809	100.0
89.02444	9.5
89.73640	0.6
89.99117	1.1
95.05042	1.8
96.95992	0.8
101.02434	1.9
109.02962	0.8
113.02481	0.8
113.06079	1.0
119.05036	24.9
120.05373	0.7
122.03742	0.8
123.04521	1.1
125.02453	0.7
134.03716	1.3
137.02448	1.2
137.06058	1.5
163.04024	24.8
164.04530	1.1
181.05078	1.3
188.23349	0.6
191.01973	0.7
191.05540	0.7
193.05064	1.5
253.97983	0.6
325.09201	1.8
359.76215	0.7
457.18015	6.5
458.17441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18128	0.3
57.34770	0.3
59.01393	1.0
60.99319	1.2
68.24657	0.3
70.17464	1.0
70.57808	0.3
70.85128	0.3
71.01405	0.4
73.02994	0.5
85.02984	0.6
88.98805	8.5
89.02463	0.9
93.03437	0.4
95.05034	0.3
99.64465	0.3
100.51044	0.3
104.56701	0.3
109.97046	0.3
113.06094	0.4
114.42434	0.3
119.05025	94.1
120.05360	3.0
131.03496	0.4
133.95512	0.3
137.06079	0.7
149.04538	0.9
163.04005	100.0
164.04337	3.1
174.89981	0.3
191.50797	0.4
295.08047	0.5
325.09277	9.5
457.13086	12.6
458.13068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46706	0.5
59.01381	8.9
60.99295	3.4
61.98838	0.8
69.69679	2.1
69.70104	0.8
71.01392	4.5
71.04292	0.5
72.99315	0.7
75.00874	0.5
75.33517	0.5
85.02971	2.6
87.00870	0.6
88.98804	20.8
89.02439	8.6
91.38470	0.5
93.03471	0.9
95.05038	1.4
101.02436	3.8
109.02924	0.6
113.02434	2.3
119.05026	93.7
120.05362	3.5
121.06661	0.5
123.08198	0.9
135.04552	1.4
137.02521	0.7
137.06114	1.1
139.04013	1.5
149.04549	1.4
149.06035	0.7
150.04440	0.5
161.04544	0.6
161.06027	0.6
163.04008	100.0
164.04340	4.5
171.11781	0.6
189.12868	1.1
191.05627	1.4
193.05038	0.5
233.11830	1.0
245.56712	0.5
277.07224	0.8
277.10870	1.4
325.09277	10.9
326.09842	0.9
397.17065	0.8
457.12079	2.4
457.18100	15.7
458.17902	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.78711	0.2
61.98831	100.0
69.51624	1.5
79.49972	0.2
98.20674	0.4
104.84762	0.2
191.05562	0.3
217.89285	0.3
227.90378	0.2
248.48114	0.3
258.63083	0.3
263.27069	0.3
315.43417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63503	0.9
58.00579	1.8
59.01377	45.4
68.99558	1.9
71.01382	31.8
71.35163	1.7
72.99295	1.9
85.02948	4.9
87.00858	2.3
89.02441	52.1
90.02743	1.3
95.01373	2.1
100.99532	1.0
101.02440	18.0
112.89588	1.5
112.98554	1.6
113.02451	12.9
114.05604	23.7
115.00363	1.9
119.03494	18.4
128.90260	0.8
131.03487	2.7
143.03520	4.6
149.04549	1.7
161.04607	4.5
175.60806	0.8
179.04156	1.5
179.05609	20.2
180.05983	1.2
191.05620	1.2
245.99458	0.8
341.10861	100.0
342.11243	5.3
405.10599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38054	0.7
52.11048	0.6
53.58033	0.7
57.45992	0.7
58.00576	1.2
59.01380	43.5
59.32608	0.7
60.35777	0.8
68.99576	4.3
69.23428	0.8
70.01665	0.6
71.01382	32.6
71.53233	1.1
72.99297	1.6
83.01380	1.4
84.32700	0.8
85.02959	4.7
87.00867	2.7
89.02442	49.2
89.97530	0.8
90.02756	1.0
91.83118	0.7
95.01384	1.8
101.02438	15.1
112.89683	1.7
112.98553	5.4
113.01719	1.1
113.02448	13.9
113.98904	0.8
114.04845	1.4
114.05611	23.2
114.06396	1.3
115.00401	1.0
115.71214	0.7
118.96499	0.7
119.03505	17.1
119.05009	2.3
128.69757	0.7
131.03519	2.1
143.03503	2.1
144.71117	0.8
149.04523	2.2
149.86684	0.7
161.04550	4.7
161.05685	0.8
163.03931	1.8
179.05608	21.9
189.51645	0.7
191.05632	1.5
285.42303	0.7
341.10861	100.0
342.11258	6.1
349.48697	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	2.2
59.01378	46.3
63.09388	0.9
71.01378	31.3
72.99307	2.1
74.51532	0.9
85.02947	4.1
87.00890	2.7
89.02441	51.7
95.01383	1.9
97.27953	1.0
99.80235	0.9
101.02435	17.8
104.29501	0.9
104.40215	0.8
112.89666	4.7
113.02444	14.1
114.05605	22.7
119.03487	17.2
131.03532	2.6
143.03496	4.4
149.04559	1.6
161.04512	4.5
163.24596	1.0
179.05602	20.4
266.44443	1.1
341.10849	100.0
342.11267	6.4
445.99582	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.7
59.96904	0.6
64.02276	0.5
67.01891	4.4
69.99430	2.8
73.09937	0.5
81.03451	1.5
93.03465	2.0
105.07104	4.1
119.08685	1.4
122.03727	0.8
123.04533	12.9
124.07681	1.7
126.05608	8.9
131.05055	1.2
133.06581	1.4
135.04552	2.8
136.05319	4.5
137.06096	4.6
145.06595	0.8
147.04500	1.7
148.05353	0.7
149.02466	5.7
149.06081	32.7
150.06427	0.9
150.84024	0.6
157.06595	0.9
159.04475	0.8
160.05290	1.1
160.07690	0.6
161.06090	6.1
163.07660	5.0
167.03493	18.3
172.07646	0.9
173.06152	1.0
175.03999	5.9
175.07643	11.3
179.03430	0.9
188.04858	1.2
188.10849	3.4
189.05550	0.9
191.03471	1.7
192.04224	1.2
193.05046	4.0
201.05606	1.5
205.05042	8.0
206.05672	1.3
206.11858	33.0
207.06636	4.0
207.12212	2.1
217.05133	0.6
219.06636	2.1
232.09776	17.1
233.10081	1.1
235.06064	0.7
245.04533	1.2
250.10864	8.2
276.08765	5.8
294.09824	4.0
329.08783	17.0
330.08984	1.1
355.10342	13.7
368.11081	0.9
412.16223	5.0
456.15100	100.0
457.15488	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	456.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
58.63122	0.9
59.01380	72.3
61.98836	6.4
64.25458	0.8
64.35147	0.8
69.17290	8.8
71.01381	14.1
72.99303	1.2
73.02953	6.7
75.79536	1.0
83.01370	2.0
85.02956	6.8
85.07583	0.8
87.00246	0.8
87.00857	1.1
89.02444	9.9
93.03445	1.9
101.02457	10.4
109.02941	1.6
113.02451	6.8
114.05607	2.0
119.03498	4.4
121.02953	1.0
133.02951	0.9
134.03716	1.6
134.47887	0.8
135.04512	3.2
137.02419	2.0
139.11272	2.4
139.34143	0.8
140.07123	0.9
141.07101	1.0
143.03479	1.4
145.02986	1.1
146.03796	0.9
156.10344	2.1
159.04482	1.8
161.02458	0.9
161.04561	3.3
163.04005	1.9
171.04463	1.8
172.05302	1.9
173.02509	4.9
173.04521	2.5
173.06065	5.9
174.03223	1.2
175.04005	1.6
179.03433	0.9
179.05594	1.5
185.06044	2.5
187.04028	4.1
188.04811	5.4
195.04472	2.2
197.06119	1.4
199.04025	1.3
199.07674	1.4
201.01892	2.4
201.05569	3.2
202.02594	0.8
202.11482	1.1
204.04291	3.7
210.06873	1.3
213.05652	6.3
214.06339	3.5
215.07149	4.1
223.07600	0.9
223.11311	6.8
224.11525	1.1
227.07086	1.7
227.10757	1.3
227.16588	0.9
233.09735	3.4
235.07724	1.0
241.12308	5.5
249.09163	2.1
251.10762	6.2
252.16864	1.2
267.10257	1.9
270.01721	2.3
272.09354	1.5
278.82669	1.0
279.10031	0.9
290.11835	0.8
300.21478	0.8
313.03583	1.6
356.18753	10.9
366.17151	1.2
368.18661	1.7
384.18152	100.0
385.18533	9.9
397.22342	1.3
412.17593	7.2
415.23267	1.4
456.19962	4.7
457.19165	1.0
476.09586	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.353
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
61.98821	0.9
62.66375	0.6
71.54772	0.9
78.91961	0.6
82.31921	0.6
102.91704	0.7
119.31277	0.5
128.98288	0.5
167.96196	0.6
222.03931	0.5
320.14783	0.6
333.00873	0.6
384.58423	0.6
427.04135	0.6
455.35275	100.0
456.35608	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	456.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58167	0.5
57.03420	0.8
59.01374	3.6
60.60789	0.6
61.98817	0.9
67.01897	4.3
69.84061	1.1
69.84470	2.0
71.01385	2.5
75.40240	0.6
79.05544	0.7
81.03471	1.9
84.39963	0.5
86.72554	0.7
89.02440	3.1
93.03465	1.9
93.07108	1.0
101.02443	1.0
105.07099	4.0
108.71400	0.6
108.90214	0.6
109.02930	0.7
112.04009	1.5
112.89628	1.7
113.02470	1.0
115.00282	0.7
119.03484	1.3
122.03755	0.7
123.04520	11.7
124.07690	1.6
126.05606	7.1
128.03491	0.7
131.05045	0.8
133.06583	1.7
135.04526	2.8
136.05328	4.2
137.06096	4.4
147.04506	1.2
149.02431	5.3
149.06085	30.1
150.06415	0.8
157.06602	1.3
158.04608	3.4
161.04747	0.9
161.06090	6.1
162.03143	0.9
162.13065	0.7
163.07668	5.7
167.03491	17.3
175.04015	5.1
175.07643	10.4
179.05699	0.9
188.04834	1.4
188.10846	3.5
189.05547	1.3
191.03426	1.2
191.07112	0.9
193.05070	3.9
201.05539	1.3
205.05086	6.1
206.05656	1.4
206.11861	29.3
207.06549	3.8
207.12180	1.7
217.05083	0.8
219.06604	2.3
232.09785	16.2
233.10039	1.0
235.06104	1.4
242.80153	0.8
245.04581	1.6
250.10825	8.3
276.08765	5.5
294.09818	3.7
329.08768	14.9
330.08948	0.9
341.10947	5.3
351.11264	0.9
355.06085	1.1
355.10309	12.4
356.10690	1.1
368.11234	0.9
412.16031	4.1
421.17163	0.8
456.15121	100.0
457.15460	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	456.1512
Annotation	Calanthoside
Peak:m/z	Relative Intensity
60.71355	0.5
67.01890	4.3
69.72266	3.1
72.80974	0.6
73.02967	0.6
81.03458	2.8
93.03458	2.2
105.07123	3.3
106.72859	0.6
123.04518	11.4
124.07657	2.1
126.05614	7.8
131.04991	0.9
133.06610	1.2
135.04507	3.3
136.05280	3.5
137.06073	5.3
147.04498	1.1
149.02449	5.8
149.06078	32.6
150.06425	0.8
157.06619	1.4
161.06064	6.9
163.03951	0.7
163.07626	5.3
167.03490	17.1
168.03871	0.8
172.07666	0.8
173.06148	1.5
175.04008	6.3
175.07652	10.3
176.07907	0.7
178.73528	0.7
179.03462	1.6
188.10814	3.3
189.05510	1.8
191.03534	2.2
191.07172	1.1
193.05060	3.2
201.05597	1.2
205.05057	7.7
206.05620	0.7
206.11861	33.3
207.06697	4.6
207.12245	1.9
214.08809	0.8
219.06656	2.3
232.09782	15.0
233.10144	0.9
235.05963	1.1
245.04575	1.4
250.10878	7.7
276.08713	5.5
283.52133	0.6
294.09830	5.1
329.08743	14.5
355.10284	9.8
356.10651	0.7
368.11258	1.2
412.16226	4.3
456.15109	100.0
457.15417	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	455.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.8
57.03448	3.4
57.07486	0.6
58.00589	0.8
59.01378	100.0
60.01727	1.0
61.98822	3.5
62.13523	0.6
67.01891	0.7
68.99825	1.3
69.03458	1.4
71.01379	32.3
72.01775	0.6
72.99308	2.4
73.02943	13.6
74.08189	0.6
75.00852	0.8
81.88811	0.5
83.01385	8.5
85.02950	22.1
86.00082	1.5
87.00886	2.3
89.02448	5.7
93.03462	2.7
95.01388	4.1
97.02988	0.8
98.20682	1.4
99.00863	4.0
101.02442	24.3
111.00892	2.1
111.04531	0.7
112.01663	1.2
113.02451	15.1
119.03503	2.2
125.02437	1.9
129.01949	1.0
131.03531	0.7
134.03717	1.3
135.04510	0.9
137.02481	2.6
142.23792	0.7
143.03525	2.1
149.04547	0.6
149.31825	0.6
149.71396	0.6
151.07687	0.8
159.02972	1.5
161.04553	7.7
162.06801	0.6
163.11333	0.7
164.90482	0.6
173.04565	1.4
191.05605	4.7
211.11244	0.7
223.13548	0.9
251.16464	12.2
307.12012	0.8
335.18851	1.4
369.22760	6.1
370.22852	0.8
395.20724	51.1
396.21085	6.0
409.20697	1.4
413.21747	37.3
414.22015	4.7
455.22906	41.1
456.22998	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	455.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03447	0.6
58.00578	0.3
59.01378	100.0
60.01715	1.0
60.08690	0.2
61.98829	0.7
69.03449	0.2
71.01382	8.6
72.99329	0.3
73.02941	3.9
77.36380	0.2
83.01381	1.5
85.02957	3.3
85.86441	0.2
87.00903	0.4
89.02448	3.8
93.03493	0.3
95.01404	0.6
97.02982	0.3
99.00893	0.8
99.04566	0.2
101.02440	5.8
102.02782	0.2
113.02451	3.8
114.02783	0.2
119.03494	1.3
134.03761	0.6
135.04556	0.3
143.03511	0.5
149.04616	0.3
161.02502	0.2
161.04536	2.6
161.05748	0.3
169.71910	0.2
173.04590	0.3
179.05673	0.3
191.05600	1.3
233.15482	0.4
307.12042	0.4
376.18921	0.3
395.20779	0.4
413.21985	1.2
420.21695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03453	1.1
58.00587	1.8
59.01379	100.0
60.01713	1.1
61.98838	0.8
69.03451	0.8
71.01380	34.8
72.44955	0.3
72.99302	2.1
73.02944	18.2
75.00907	0.4
83.01385	7.4
85.02950	10.5
87.00874	2.0
89.02442	22.7
95.01392	1.8
95.21739	0.3
96.25957	0.3
97.02953	0.7
98.20596	0.7
99.00892	1.6
99.04496	0.6
101.02438	28.8
102.02798	0.4
113.02447	11.7
119.03503	9.2
125.02445	1.3
131.03464	1.7
137.09697	0.6
143.03497	2.3
149.04552	1.6
161.04558	5.1
177.65186	0.3
179.05602	2.9
187.14909	0.5
189.16481	4.2
203.05666	0.3
233.15451	1.1
235.17072	0.6
240.11171	0.5
251.16713	0.6
279.29678	0.3
369.22818	1.0
395.20663	4.4
411.23608	0.6
413.21790	5.5
414.22556	0.3
455.22849	58.9
456.23154	6.5
472.35809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.8
57.03448	3.4
57.07486	0.6
58.00589	0.8
59.01378	100.0
60.01727	1.0
61.98822	3.5
62.13523	0.6
67.01891	0.7
68.99825	1.3
69.03458	1.4
71.01379	32.3
72.01775	0.6
72.99308	2.4
73.02943	13.6
74.08189	0.6
75.00852	0.8
81.88811	0.5
83.01385	8.5
85.02950	22.1
86.00082	1.5
87.00886	2.3
89.02448	5.7
93.03462	2.7
95.01388	4.1
97.02988	0.8
98.20682	1.4
99.00863	4.0
101.02442	24.3
111.00892	2.1
111.04531	0.7
112.01663	1.2
113.02451	15.1
119.03503	2.2
125.02437	1.9
129.01949	1.0
131.03531	0.7
134.03717	1.3
135.04510	0.9
137.02481	2.6
142.23792	0.7
143.03525	2.1
149.04547	0.6
149.31825	0.6
149.71396	0.6
151.07687	0.8
159.02972	1.5
161.04553	7.7
162.06801	0.6
163.11333	0.7
164.90482	0.6
173.04565	1.4
191.05605	4.7
211.11244	0.7
223.13548	0.9
251.16464	12.2
307.12012	0.8
335.18851	1.4
369.22760	6.1
370.22852	0.8
395.20724	51.1
396.21085	6.0
409.20697	1.4
413.21747	37.3
414.22015	4.7
455.22906	41.1
456.22998	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	455.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03447	1.5
58.00593	1.8
59.01381	100.0
60.01698	0.7
61.98827	6.5
69.03462	0.7
71.01383	41.0
71.55599	0.5
72.99306	3.0
73.02946	27.3
75.00878	0.9
83.01391	10.5
84.39644	0.5
85.02950	8.8
87.00869	3.2
89.02446	22.2
95.01402	2.7
96.96033	0.8
97.02953	0.9
99.00905	2.1
99.04537	0.7
101.02445	31.9
113.02448	12.5
114.48359	0.4
119.03494	8.9
119.05025	0.5
125.02439	1.5
131.03496	1.8
137.09747	1.2
143.03535	3.3
149.04558	1.8
149.09785	0.8
155.03481	0.8
161.04558	4.5
163.04065	0.6
179.05667	1.4
189.16472	6.8
189.51889	0.4
202.83525	0.5
207.10268	1.3
233.15575	2.3
235.17169	0.5
251.16603	0.6
258.11307	1.5
319.32767	0.4
341.72998	0.5
395.20734	3.7
396.21185	0.5
413.21808	9.0
414.22095	0.7
455.22876	59.7
456.23175	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	455.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19772	0.8
69.20193	1.1
99.92579	4.6
99.93188	0.4
100.92708	0.2
100.93356	3.1
101.93360	0.2
115.92075	100.0
116.92081	3.8
116.92866	5.9
117.92799	0.2
132.92316	1.0
172.95464	6.2
173.95622	0.4
176.53001	0.2
245.38033	0.2
281.24985	0.9
329.85663	0.2
381.17487	0.6
407.19000	0.9
434.68793	0.2
437.20013	0.3
455.21069	6.2
456.21457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.4
57.03439	2.2
59.01382	72.1
61.98832	6.1
69.03458	1.2
70.55462	2.0
71.01385	26.9
72.56238	0.7
72.99308	1.0
73.02948	14.3
74.49758	0.8
75.93784	0.6
83.01397	10.6
85.02960	19.4
86.00109	0.8
87.00887	2.5
87.08167	0.8
89.02452	5.6
93.03455	2.2
95.01381	1.9
96.96030	1.0
97.02962	1.8
99.00880	4.6
101.02446	42.8
102.02797	1.3
103.03977	2.0
108.02165	1.7
109.02976	1.8
110.65585	0.8
111.00871	1.5
112.15281	0.6
113.02459	15.1
119.03478	1.1
120.28021	0.7
123.04491	1.6
124.01695	1.3
125.01653	0.8
125.02431	4.7
126.48338	0.7
127.48441	0.8
129.01930	1.5
130.85376	0.8
135.04541	9.7
137.02478	4.3
143.03484	2.3
152.01149	1.5
159.02971	2.4
161.02527	4.8
161.04568	12.5
163.06041	1.0
167.03482	2.0
168.00784	1.7
179.03479	12.3
179.04942	0.9
181.89572	0.8
191.01982	1.4
191.03552	0.8
191.05638	0.8
192.04305	0.8
204.37830	0.8
209.04471	0.9
228.89566	0.7
249.13440	60.7
250.13718	3.6
270.14737	0.8
293.06638	2.6
341.08847	2.7
395.19238	100.0
396.19543	7.5
455.11591	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	455.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	0.5
59.01379	100.0
60.01706	1.1
61.98841	0.5
64.01672	0.3
70.96712	0.6
70.97026	0.3
71.01380	8.5
73.02942	1.9
83.01396	0.5
85.02947	2.8
87.00877	0.6
89.02444	10.0
95.01417	0.7
99.00906	0.8
101.02434	5.1
106.97784	0.3
113.02460	3.3
119.03485	3.5
131.03471	0.7
143.03484	0.5
149.04608	0.9
157.75560	0.3
159.03003	0.5
161.04538	5.1
161.54659	0.3
179.05606	1.7
191.05701	1.0
263.14960	1.5
331.69583	0.4
333.80774	0.3
395.19327	2.8
396.19595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35408	0.3
50.85614	0.2
51.36003	0.3
54.30680	0.3
58.00611	0.3
59.01378	100.0
60.01709	0.9
61.98841	0.6
70.87331	0.3
70.87657	0.5
71.01379	10.6
72.99313	0.7
73.02932	1.8
78.73370	0.3
83.01392	0.8
85.02950	3.6
87.00906	0.8
89.02441	14.5
93.03476	0.4
95.01354	0.5
99.00899	1.0
101.02442	6.9
111.00888	0.4
113.02454	4.4
119.03506	4.5
123.04514	0.3
128.13121	0.3
131.03534	0.8
137.02454	0.4
143.03532	1.0
145.88995	0.3
149.04594	0.9
159.02959	0.7
161.04559	4.6
165.54092	0.3
177.09218	0.3
179.03725	0.3
179.04221	0.4
179.05602	2.4
191.05685	1.0
204.91551	0.3
263.14865	2.1
395.19232	5.8
396.19455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29790	1.0
57.03441	0.9
59.01382	4.2
61.98829	8.6
69.84669	4.7
71.01390	2.9
73.02960	1.0
78.95906	19.4
81.03474	2.3
83.01382	10.9
85.02976	2.3
88.98797	5.1
89.02460	2.8
89.16037	1.1
93.03463	2.2
95.05038	3.8
96.96015	1.6
96.96964	23.6
98.19944	1.3
101.02452	1.8
105.03497	1.4
108.02193	5.3
109.02973	6.9
111.00897	1.1
111.04520	1.2
113.02428	2.7
119.05025	5.0
122.03777	0.9
123.04531	3.5
125.02472	2.7
131.05029	1.3
133.06631	2.2
135.04535	3.7
137.02461	3.6
139.03983	2.1
142.05124	3.3
146.03688	1.4
147.04536	7.2
149.02505	1.9
149.06059	1.2
151.04044	2.1
152.01147	4.9
153.01842	1.4
157.05008	1.6
159.04543	3.0
161.02541	1.7
161.06064	4.4
163.04012	2.7
165.05534	1.9
167.03493	4.7
173.02498	1.3
173.04646	1.9
173.06073	2.4
174.03253	5.3
175.03995	23.2
175.07751	1.3
176.04573	1.6
177.05624	2.6
178.02640	1.1
179.03583	1.8
187.04010	2.9
188.04826	3.7
189.05602	10.2
190.02734	1.1
190.06360	19.6
191.03549	7.0
191.05447	2.0
199.00165	2.9
201.05579	1.7
203.03526	4.3
203.07120	3.2
204.04192	1.7
205.05066	7.0
205.08699	7.7
206.02234	2.7
209.04501	1.1
212.08406	1.2
213.01834	1.9
217.01474	1.0
217.05093	3.2
218.02214	1.0
218.05843	1.6
219.03043	1.9
219.06618	5.3
221.04459	2.1
231.03004	3.5
231.06667	1.9
232.03735	8.3
233.04538	18.1
234.05193	4.9
237.02103	1.1
245.04518	9.9
246.05302	4.8
247.06105	12.7
249.07668	34.5
250.07953	1.2
251.05423	0.9
255.08878	1.7
259.06171	3.1
263.05698	2.7
274.04819	2.4
275.05615	100.0
276.05945	6.1
287.05673	7.1
293.06909	1.6
305.06671	39.2
306.06967	2.6
317.06625	2.2
335.07736	93.8
336.08136	5.9
365.08789	30.3
366.09006	2.3
377.08859	2.7
395.09650	1.4
411.13068	2.6
419.09991	1.1
437.10855	6.8
455.12000	70.8
456.12119	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03441	0.5
58.00603	0.3
59.01379	100.0
60.01730	0.5
61.98826	2.8
69.33826	0.4
69.34232	1.7
71.01382	7.4
71.01775	0.4
72.99313	0.5
73.02945	2.1
75.00844	0.3
81.30029	0.2
82.87086	0.2
83.01381	1.4
85.02952	3.4
87.00894	0.5
89.02449	4.1
95.01425	0.7
97.02930	0.5
99.00923	0.8
101.02447	5.5
109.03004	0.3
112.00223	0.2
113.02458	4.4
114.87248	0.3
119.03519	1.1
120.83932	0.3
125.02471	0.6
137.17906	0.2
143.03525	0.8
149.04572	0.4
151.69627	0.2
159.03012	0.5
161.04568	3.5
179.05624	0.9
191.05629	0.6
203.10811	1.2
233.11925	1.3
251.13062	0.4
324.63184	0.3
377.16092	2.3
395.17087	7.9
396.17426	0.6
413.18112	2.3
455.19415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.9
61.98830	100.0
69.75040	1.0
69.75457	1.3
69.93136	0.4
72.04360	0.4
116.32800	0.4
144.20082	0.4
177.12404	0.4
192.40569	0.4
200.09013	0.5
454.22571	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63627	0.8
57.03439	1.2
59.01380	16.7
59.68027	0.6
61.98825	1.6
67.01880	1.8
68.99809	1.0
69.03464	1.5
71.01376	6.1
73.55012	0.7
76.08583	0.8
78.95903	32.0
79.01909	0.8
79.95734	2.2
81.03453	1.8
81.03886	0.7
83.01404	1.6
85.02946	12.0
87.00873	1.2
88.98813	2.2
89.02448	1.9
93.02854	0.7
93.03441	2.9
93.39193	0.8
95.01393	9.9
96.96005	75.3
96.96958	47.3
98.20712	1.2
99.00886	1.1
100.36184	0.7
101.02430	3.2
105.58030	0.7
108.02169	29.9
109.02950	100.0
110.03280	1.8
113.02426	2.3
113.92567	0.7
114.93369	0.8
119.03499	0.7
123.00867	10.1
123.04511	4.0
124.07658	0.9
125.02437	5.1
125.68836	0.7
126.05592	3.4
133.69817	0.8
135.04521	2.5
136.05289	1.5
137.02429	3.5
137.06052	0.9
147.04451	0.9
149.02402	2.2
149.06070	9.6
151.03972	5.7
161.04657	0.9
161.06039	2.0
163.07635	0.9
167.03493	5.2
175.03957	1.6
175.07620	2.6
188.10863	0.8
193.04996	1.7
203.05579	8.6
205.05077	2.1
206.11852	10.0
207.06587	1.0
219.06602	0.8
232.09787	4.2
233.04430	1.1
236.13145	0.8
250.10776	2.4
253.07176	1.5
275.05679	1.4
276.08841	1.6
294.09879	0.9
313.09283	19.7
314.09467	1.1
329.08783	4.8
335.07703	1.3
339.09116	0.8
355.10269	2.5
365.08469	1.0
383.42844	0.8
412.16159	1.9
455.12018	1.9
455.17871	1.2
456.15042	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55880	0.6
59.01384	15.4
68.99805	1.3
69.03445	1.0
69.71276	0.6
70.84957	1.8
71.01371	4.9
73.02957	1.2
74.70747	0.7
78.92019	0.6
78.95906	30.5
79.95752	2.0
81.03469	1.3
83.01379	1.0
85.02951	7.4
86.03352	0.7
87.99264	0.7
89.02438	1.0
93.03467	1.3
95.01383	6.5
96.96013	76.3
96.96966	43.9
99.00874	1.0
101.02449	2.3
108.02171	27.4
108.13638	0.7
109.02955	100.0
110.03284	3.3
113.02448	1.6
113.62016	0.6
114.93420	1.1
123.00909	7.6
123.04484	1.1
125.02442	2.9
135.04570	0.9
137.02478	2.5
149.02452	0.9
149.06094	1.8
151.04004	4.8
161.04526	1.0
167.03438	0.9
193.05064	1.3
203.05623	7.2
206.11868	2.4
232.09784	1.0
253.07237	1.6
307.22864	0.7
313.09286	15.2
314.09467	0.9
329.08575	1.2
455.12030	0.9
455.50323	0.7
456.15186	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	453.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	99.3
61.98826	100.0
64.12636	7.0
70.40073	29.2
71.01385	25.1
72.99323	9.1
73.02944	11.7
74.74786	7.7
75.76135	7.9
83.05029	16.8
85.02956	48.6
89.02436	15.1
93.03414	12.3
96.96000	29.5
99.20016	7.9
101.02444	18.7
107.04997	7.8
108.02211	11.2
109.02914	11.1
111.00867	12.1
111.73709	7.4
113.02460	15.1
123.04480	9.6
125.02451	11.1
129.01967	15.5
134.03735	7.4
135.04610	9.3
137.02454	19.9
155.10762	11.6
159.70930	7.9
161.02431	9.7
161.04523	8.6
167.03416	12.2
177.05554	9.9
179.03473	10.7
209.04486	12.7
231.10269	12.2
273.15039	13.2
291.16016	27.6
453.18018	39.4
453.24081	10.4
453.31628	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	453.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	78.8
116.92839	97.6
195.60596	61.4
255.23169	100.0
276.96555	63.5
398.85498	71.0
453.25620	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98810	100.0
67.74345	33.3
70.65286	70.0
70.65638	48.8
77.88773	29.5
78.95914	34.6
115.89049	31.9
119.71181	27.2
120.54717	31.3
137.54080	30.6
206.17578	32.3
235.94856	30.7
266.43979	30.7
269.24680	36.9
285.64825	31.7
453.25949	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12597	0.1
59.01381	2.4
59.91750	0.1
60.01713	0.2
61.98829	100.0
71.01390	0.3
71.53885	0.2
71.54278	0.2
85.02972	0.2
91.04926	0.1
101.02449	0.2
118.44486	0.1
138.31133	0.2
151.00418	0.1
173.04601	0.2
234.07018	0.2
347.58783	0.2
473.59558	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56612	0.3
57.49172	0.3
58.99542	0.3
61.98829	100.0
66.51781	0.3
67.99066	0.4
81.02895	0.3
147.82988	0.3
152.63068	0.3
169.07625	0.4
171.10391	0.4
273.72513	0.3
280.01065	0.3
282.08728	0.3
292.96585	0.3
342.63098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.7
57.03443	3.4
59.01379	100.0
61.98827	6.0
63.98964	0.6
69.20461	7.4
71.01384	23.2
72.99298	0.9
73.02931	3.5
83.01398	3.1
85.02959	10.8
87.00883	2.6
89.02483	2.2
95.01400	1.0
96.96005	1.3
98.20624	1.3
101.02436	5.2
102.05618	1.4
109.02943	1.3
111.00889	1.9
113.02439	3.9
118.98106	2.2
119.05025	0.9
121.02975	1.4
123.04501	1.1
125.02447	7.5
129.01952	3.5
129.09209	1.0
137.02441	0.9
151.03987	1.0
157.08685	2.5
161.04547	3.6
163.03979	1.0
167.03429	0.9
175.04102	1.1
175.09778	6.1
177.05702	1.0
179.03418	0.8
183.10213	0.9
201.11377	2.2
207.26437	0.8
229.10840	5.5
249.07796	0.7
273.13452	4.4
275.01453	0.8
291.14578	5.6
292.15652	0.8
333.15543	11.6
334.15857	1.0
361.15210	1.2
453.17914	2.0
454.20847	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	453.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46550	10.0
59.01379	100.0
59.57590	7.5
61.98822	16.2
67.08804	8.6
68.89383	8.7
69.03474	11.9
70.69002	22.2
70.69322	9.7
71.01383	27.4
73.02945	46.8
83.01394	12.3
85.02927	14.2
85.91822	8.9
93.03453	19.4
96.96017	10.7
101.02443	36.9
102.05114	9.5
113.02448	18.1
119.05042	84.8
134.03679	12.6
137.02428	20.1
139.75728	9.1
147.22458	9.7
161.04543	21.7
163.04039	73.6
172.05724	9.7
191.05594	15.7
193.87468	9.7
231.10155	44.5
262.50320	8.5
277.12161	9.2
453.17316	23.1
453.22650	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39965	0.6
60.40117	0.7
61.98836	1.3
63.06079	0.7
65.00318	0.8
68.99844	1.1
71.09142	1.7
72.28544	0.7
83.39854	0.7
84.21838	0.6
93.03477	2.8
95.01378	0.9
105.03431	1.1
107.05022	1.7
108.02186	6.7
109.02982	4.9
115.92155	0.8
117.03497	1.5
118.44841	0.8
119.05028	1.1
121.02959	8.6
122.03797	3.9
123.00974	0.8
123.04517	2.2
124.01723	0.8
129.97064	0.7
133.02963	2.5
134.03708	1.0
134.19482	0.9
135.04527	7.2
136.01674	16.4
137.02455	20.0
138.02789	0.9
143.05130	0.8
147.04500	2.6
149.02501	1.0
151.04007	1.7
153.02071	0.7
158.66899	0.8
159.04538	1.2
161.02448	2.7
161.06133	2.0
162.03171	3.7
163.04007	13.5
164.04688	2.3
165.01923	13.8
165.05597	1.3
175.04005	2.4
176.04767	1.9
177.05609	1.1
179.03549	1.0
187.04019	1.7
189.05615	2.0
191.03516	14.7
205.05054	2.5
278.45731	0.7
298.08548	0.9
327.08707	10.0
328.09586	3.4
355.08249	9.1
356.08969	13.0
357.09628	2.1
384.08466	11.8
385.09280	100.0
386.09579	8.1
403.10617	1.9
453.15549	25.5
454.15768	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93264	1.2
54.07272	1.0
55.01878	1.4
59.01379	40.9
61.98827	23.4
63.99260	1.2
69.20054	9.0
69.20480	3.1
71.01380	25.5
73.02937	14.0
75.00890	1.9
83.01382	5.8
85.02952	15.0
87.00887	2.2
89.02470	6.2
90.44745	1.1
93.03450	2.9
95.01390	2.9
99.00880	7.8
101.02438	28.5
113.02454	14.2
113.57381	1.2
119.03524	1.2
125.02431	2.7
131.03464	1.6
134.03711	2.0
143.03514	1.5
159.02957	2.5
161.04556	12.5
167.03558	1.3
173.04504	1.8
191.05634	6.4
193.04974	1.8
224.58263	1.1
233.06615	1.4
255.03156	1.3
261.13394	31.7
262.13596	1.9
313.84341	1.3
333.19064	2.9
373.08524	3.9
393.17642	100.0
394.17862	8.0
454.11124	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54287	0.5
59.01374	0.6
61.98840	0.7
69.20975	1.7
69.21398	2.5
74.58453	0.4
78.95906	100.0
96.96959	8.0
98.18067	0.5
99.00894	0.5
152.99594	17.5
171.00647	23.6
214.04956	0.8
255.23245	1.2
321.48734	0.5
378.24213	2.0
452.27826	61.8
453.28143	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1433
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
59.01377	2.9
69.47064	0.8
69.47493	1.3
70.45648	0.3
71.01382	1.6
72.99302	0.5
73.02934	0.6
79.95733	4.0
80.96509	1.2
83.01362	0.4
89.02448	1.2
94.98138	0.3
95.95233	0.8
96.96008	93.5
97.95921	0.4
101.02441	2.5
106.04196	0.4
113.02454	0.5
117.62635	0.3
122.97575	0.7
125.02449	0.4
131.67747	0.3
138.97070	0.8
150.97050	0.9
152.98613	1.1
180.98119	2.8
241.00255	5.6
243.50766	0.3
247.16930	0.8
256.99829	0.3
291.13013	0.3
291.15961	2.0
297.89087	0.3
325.05807	0.3
354.86743	0.3
453.14322	100.0
454.14609	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98825	2.8
69.37775	10.9
71.01379	19.7
71.02366	1.2
73.02953	13.9
81.07107	2.1
83.01392	4.3
85.02950	10.5
86.00053	1.5
87.00882	2.5
89.02440	9.1
93.03438	1.4
95.01431	2.0
96.76993	1.4
96.96004	25.6
99.00879	1.4
101.02439	17.1
108.47796	1.2
109.02957	1.9
113.02441	7.7
119.03494	3.9
119.05018	1.7
125.02478	2.1
129.01909	1.6
131.03479	1.5
137.02481	1.4
159.02965	1.4
159.06599	4.8
161.02441	1.6
161.04541	7.4
189.01764	1.4
203.05457	1.8
221.06657	2.0
241.00238	2.1
291.10776	2.4
291.16245	1.4
313.16534	5.7
331.17557	5.2
342.06940	3.4
343.07040	6.7
373.18637	7.4
453.14310	20.0
454.08414	1.6
454.14594	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	453.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	2.5
59.01381	100.0
59.01658	4.1
69.03437	3.0
69.55429	10.7
71.01383	33.5
72.99268	3.5
73.02950	53.0
79.09354	2.1
79.95702	4.2
83.01392	16.7
85.02946	21.8
89.02384	9.6
96.96018	79.5
101.02451	54.1
108.02121	3.8
109.02895	5.7
113.02473	16.0
119.03402	6.4
119.05026	90.0
122.37104	1.9
125.02391	2.6
129.01828	4.4
131.03426	5.7
133.96568	2.2
134.03627	2.4
135.04362	2.0
137.09630	4.1
143.03439	3.4
149.04538	10.9
155.10619	3.7
158.40994	2.1
161.04549	23.3
163.04022	58.8
174.84103	2.2
180.97974	2.7
221.06451	7.1
241.00154	4.6
245.10042	2.2
249.11263	3.5
268.70004	2.2
291.15817	2.6
393.15472	29.7
394.15485	3.4
411.16736	14.4
453.13828	92.4
454.14081	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	452.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97572	0.2
61.98826	0.4
62.37741	0.2
62.96396	0.2
64.79953	0.2
70.19868	0.4
70.20272	0.7
75.30489	0.2
77.54420	0.2
78.95903	18.8
79.87276	0.2
94.77319	0.2
98.20486	0.2
122.00133	0.8
134.98528	0.2
140.01186	5.5
152.99579	2.3
163.33380	0.2
171.00606	0.5
196.03786	9.7
197.04150	0.2
214.04854	1.9
255.23288	100.0
256.23611	7.2
406.21075	0.2
429.71420	0.2
452.27808	33.4
453.28171	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	452.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22303	0.3
59.01377	10.9
60.01709	1.8
61.01809	2.1
61.98829	100.0
69.95649	0.4
72.22951	0.3
73.02965	0.5
85.02938	0.6
92.77037	0.4
93.03468	1.3
98.19864	0.9
101.02462	0.6
120.51221	0.4
125.02450	0.6
132.98831	0.4
137.02451	1.1
139.29126	0.4
142.16182	0.3
163.04050	0.4
167.03555	0.5
173.04575	0.6
174.04918	0.4
191.05606	1.9
192.06029	1.3
193.06075	1.2
194.06383	0.9
215.61783	0.4
383.05243	0.4
392.23068	0.7
452.16318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.7
60.01715	0.6
61.98829	100.0
69.68902	0.4
69.69316	0.7
70.67089	0.2
71.01389	0.7
73.02935	0.4
81.24052	0.2
81.87047	0.2
93.03465	0.2
98.20644	0.2
101.02471	0.3
109.28305	0.2
113.02444	0.3
129.58478	0.2
161.04564	0.4
191.05669	0.6
222.43874	0.2
333.19382	0.4
351.20297	0.3
392.23669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28970	0.3
51.14721	0.2
51.23176	0.3
54.19804	0.2
57.31340	0.3
59.01379	3.0
60.01710	0.4
61.98829	100.0
62.98520	0.5
63.99250	2.7
70.68691	0.5
70.69038	0.4
71.01378	0.7
73.02955	0.4
75.14836	0.3
81.03462	0.8
83.05017	1.5
85.02958	0.4
89.02474	0.4
93.03452	0.8
94.03784	0.5
101.02452	0.6
109.02938	1.3
119.05047	0.5
123.04532	0.7
135.04448	0.4
137.02498	0.3
151.04135	0.4
161.02335	0.3
173.04555	0.6
177.01930	1.0
178.02295	0.7
189.01859	2.1
190.02455	1.3
191.05661	1.0
192.06049	0.8
193.06046	0.9
194.06380	0.4
217.01398	1.2
218.01704	1.4
219.03044	0.6
220.03253	0.5
225.16090	0.6
231.03059	0.5
232.03380	0.4
248.00214	0.4
334.23593	0.4
341.06516	1.7
342.07022	4.7
343.33954	0.3
373.97946	0.3
392.23465	0.3
393.20944	0.3
428.67871	0.3
431.94470	0.3
434.31735	0.7
451.32864	0.8
452.10709	1.6
452.16113	0.4
452.33194	8.2
453.33820	0.5
469.23669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29916	0.2
59.01377	1.5
60.43121	0.2
61.98831	100.0
71.01398	0.5
83.01434	0.3
85.02968	1.0
89.02493	0.2
96.96082	0.3
98.19961	0.7
101.02468	0.4
109.02937	1.1
110.03265	0.5
123.04533	0.4
124.04010	0.2
125.02458	0.3
129.01956	0.4
132.57523	0.3
147.04547	0.3
151.03970	0.4
152.04335	0.4
152.33952	0.2
161.02451	0.3
166.43518	0.2
167.03481	0.6
177.01959	0.8
178.02333	0.6
179.03555	0.3
189.01955	1.5
190.02325	1.2
191.03371	0.3
192.03850	0.3
195.81537	0.3
201.11282	0.3
202.11705	0.3
217.01382	0.9
218.01799	0.8
220.03386	0.4
229.43166	0.2
231.03076	0.4
233.04282	0.2
290.13318	0.3
332.07870	1.5
341.06616	1.5
342.06973	3.5
362.08902	0.5
389.18304	0.4
434.11237	0.4
452.10983	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	452.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.9
60.01723	0.7
61.98829	100.0
69.51731	3.1
71.01399	2.3
73.02956	0.5
83.01408	0.7
85.02962	1.7
88.98802	0.4
89.02463	1.0
96.96026	1.4
101.02441	1.9
109.02938	0.7
113.02455	0.9
120.77955	0.4
135.04480	0.5
139.04033	0.6
159.75717	0.4
166.94987	0.4
186.07764	0.7
217.88762	0.4
246.09798	0.7
285.04572	0.5
306.37714	0.5
332.09509	0.7
389.18155	36.6
390.18457	2.7
453.14490	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03064	0.4
56.38114	0.5
57.03443	1.0
59.01379	100.0
60.01724	1.2
61.01807	0.5
61.38407	0.5
61.98830	14.7
65.22518	0.5
67.01907	1.0
69.03456	0.9
71.01382	10.6
71.55100	0.7
73.02940	3.0
74.48928	0.5
81.03470	0.5
83.01403	1.5
85.02939	5.0
87.00867	1.3
89.02451	6.4
93.03470	3.9
94.03813	1.2
95.01405	0.8
95.05058	0.6
99.00890	1.0
101.02441	8.2
107.45818	0.5
109.02961	1.1
111.04543	0.8
113.02449	3.8
119.03513	2.2
123.04571	0.7
125.02453	1.7
135.04614	0.6
140.22118	0.5
140.25549	0.4
143.03494	0.8
146.03288	0.5
149.04552	1.4
155.03543	0.5
159.02994	0.8
161.04544	5.6
165.05643	0.8
167.03491	3.6
173.04587	3.5
174.04906	1.7
175.05069	2.1
179.05682	1.3
179.96947	0.4
187.07657	1.3
188.08049	0.7
189.08247	0.6
191.05623	9.6
192.05930	6.0
193.06033	5.7
209.04596	1.6
257.08154	1.1
258.08646	0.7
259.08777	1.5
275.09106	0.5
276.09586	0.9
277.09973	1.1
281.68890	0.5
289.20343	3.4
314.16821	0.5
319.21329	1.1
331.08218	4.4
332.08524	0.7
336.27744	0.5
336.65366	0.5
340.48752	0.5
361.09500	0.6
384.65533	0.5
391.23389	16.4
391.28424	0.9
392.23923	1.3
394.53699	0.5
407.19537	1.9
435.22354	1.2
436.22672	0.6
451.15192	2.0
451.25696	6.3
452.26166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01714	1.3
61.98829	6.2
63.07444	0.3
67.32675	0.3
69.90721	1.7
71.01393	3.1
73.02949	1.0
83.01419	0.5
85.02969	1.5
89.02417	0.7
96.96020	0.7
98.20596	0.4
99.00942	0.4
101.02427	3.0
106.05077	0.4
108.02164	0.6
109.02985	0.7
113.02499	1.0
123.04556	0.4
125.02470	0.5
152.01225	0.6
161.04536	1.8
174.62251	0.3
182.05730	0.4
191.05614	0.5
213.85118	0.3
281.95447	0.4
312.50238	0.3
391.23358	7.4
392.23880	0.5
451.10135	0.6
451.26077	0.5
460.49246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.4
57.03452	1.6
58.00596	0.7
59.01381	100.0
60.01723	1.0
61.98831	8.5
65.11761	0.6
70.83617	0.8
70.83968	1.2
71.01384	23.5
72.70939	0.6
73.02946	11.8
75.00867	0.7
83.01391	4.1
85.02946	9.8
87.00884	1.1
88.98806	1.4
89.02443	6.6
95.01394	1.3
99.00889	2.2
101.02446	20.8
102.02823	0.7
108.02194	1.4
109.02960	2.8
113.02454	8.6
119.03531	3.0
123.04546	0.8
125.02434	4.0
125.03233	0.5
129.01874	0.6
135.04527	0.7
137.02460	0.9
143.03523	1.6
151.00401	1.5
152.01170	2.2
153.01976	2.6
155.10786	0.6
159.03032	1.6
161.02502	0.9
161.04559	15.0
161.05896	1.0
167.03621	0.9
179.05652	0.8
187.13367	1.1
191.05594	1.1
227.16713	0.8
229.18253	0.6
268.94125	0.6
289.07251	1.3
291.04221	0.7
331.17682	2.0
349.18689	4.5
365.18262	0.9
391.19913	1.8
391.23480	43.6
392.23718	4.6
407.10434	0.6
407.19141	7.0
407.23340	0.7
408.20078	0.7
451.08630	7.3
451.25897	1.6
471.31598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69218	0.4
57.03443	0.5
58.00598	0.7
59.01380	100.0
60.01704	1.0
61.98502	0.8
61.98825	12.4
66.86958	0.4
67.47308	0.5
69.62431	2.0
69.62839	1.1
71.01381	10.0
72.94040	0.4
73.02943	5.9
83.01417	1.7
85.02964	3.0
87.00876	0.5
89.02451	8.0
95.01392	0.6
99.00911	0.4
101.02443	8.0
106.40306	0.5
108.02176	2.7
109.02950	3.7
113.02457	5.2
115.70806	0.5
119.03512	2.7
123.04627	0.5
125.02463	1.2
131.03520	0.7
137.02518	0.5
143.03523	1.2
149.04556	0.5
152.01164	3.5
153.01955	4.6
161.04517	2.9
179.05608	1.5
187.13394	4.0
289.07233	0.8
315.07336	0.9
331.17627	7.0
332.18027	0.5
349.18649	13.2
350.19064	1.0
391.19470	9.5
392.20084	1.1
407.10031	1.1
407.19125	1.1
451.08743	7.8
452.09085	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.4
59.01381	100.0
60.99290	1.3
61.98831	7.6
69.03446	2.0
69.39789	8.7
71.01380	18.5
72.99301	2.8
73.02950	10.1
74.40694	1.4
83.01370	5.6
85.02951	18.0
87.00877	16.6
88.98805	7.1
89.02450	10.7
93.03465	4.5
95.01384	2.3
96.95995	10.9
97.02956	2.8
99.00899	2.2
101.02444	17.6
107.12901	1.0
109.02933	3.7
111.00896	2.3
111.04513	1.5
113.02437	8.8
115.63972	1.3
117.03493	1.1
119.02739	1.3
119.03519	5.4
119.05024	24.3
121.02933	3.1
122.03762	2.8
123.04520	4.3
123.08167	1.3
125.02474	2.5
129.01926	2.3
131.03482	1.2
133.02907	2.0
134.03711	1.4
135.04526	4.0
137.02475	5.8
138.03168	1.2
139.04036	1.9
139.11215	1.5
145.02910	1.3
147.02925	1.7
147.04585	1.5
148.05307	2.8
149.04507	1.4
149.06076	1.9
159.03032	2.0
161.02461	1.3
161.04640	6.4
163.04028	19.8
167.03514	2.2
173.04564	3.6
177.02034	1.9
179.03496	2.5
179.05605	2.4
180.04245	1.5
185.09741	1.6
187.13396	4.6
189.02007	1.1
191.01973	2.0
191.05585	4.7
201.11201	1.2
202.07138	1.5
203.05562	1.8
203.10687	1.3
219.02919	1.5
229.08983	1.3
245.08247	6.4
253.14326	1.8
268.67599	1.1
289.07114	7.1
289.18079	11.6
331.17563	12.9
341.06668	3.4
349.18655	21.0
350.19061	1.4
391.19553	10.0
451.12109	8.8
451.23212	35.1
452.13171	1.3
452.23837	3.6
474.62711	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	451.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70924	0.6
57.03434	1.7
59.01381	13.3
61.98818	2.7
67.01926	0.8
68.43679	0.6
69.03448	0.6
70.35958	1.2
70.36350	1.5
71.01381	3.7
73.02955	2.2
78.95900	2.2
79.95708	1.5
81.03454	2.8
82.95419	0.8
83.01388	2.9
85.02966	5.2
87.00878	1.9
88.98807	0.7
89.02451	2.4
89.15399	0.6
93.03444	3.4
95.05031	3.6
96.96014	68.2
96.97005	2.0
97.02945	5.4
99.04516	0.8
101.02439	2.3
101.36163	0.6
102.33509	0.7
103.00383	0.7
108.02168	1.0
109.02959	19.6
111.04544	1.6
113.02457	2.0
119.05005	0.6
121.02988	3.0
122.03751	1.3
123.04518	14.2
124.04845	0.7
125.02445	13.9
127.04021	1.1
129.01942	0.7
133.02946	1.0
135.04539	5.6
137.02448	14.3
138.03242	0.9
139.04002	3.9
145.02919	0.8
146.03760	0.9
147.04550	0.8
149.02419	6.4
150.03192	1.1
151.04016	10.4
155.03494	0.7
159.04503	2.9
160.05266	2.1
161.02443	4.3
161.04715	1.1
161.06078	5.7
162.03215	1.9
163.03975	1.0
164.01190	3.3
165.01936	4.1
167.03500	2.1
173.04553	4.4
173.05914	0.9
174.03165	1.3
175.03996	2.3
175.07599	1.4
176.03922	1.0
179.03511	9.9
182.44914	0.6
185.06065	1.6
187.03996	4.1
188.04823	3.5
191.05615	77.9
192.05954	2.6
199.07637	1.1
201.05475	0.9
202.06380	2.0
203.07126	13.5
205.03279	1.0
205.05067	9.4
217.08720	1.0
221.08192	3.9
227.07184	1.9
230.05896	0.7
241.05125	0.7
245.08170	20.1
246.08539	0.7
247.06175	1.4
259.02094	0.6
271.06079	1.7
289.07181	100.0
290.07471	7.2
306.77878	0.6
313.07147	2.0
347.16989	0.7
353.08710	17.3
354.09207	0.8
365.18173	0.7
451.12579	16.2
451.18304	1.0
452.12741	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	451.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
59.01372	1.0
61.98823	0.9
69.03455	0.4
69.63324	0.4
69.63756	1.4
71.01367	0.4
81.03468	1.8
83.01374	2.1
85.02980	0.4
93.03451	0.6
95.01386	0.5
95.05032	2.0
96.95983	0.3
97.02953	4.0
108.02217	0.7
109.02953	16.7
111.04469	0.3
121.02939	2.2
122.03759	0.6
123.04531	9.4
124.04879	0.4
125.02448	11.6
125.36063	0.3
125.81312	0.3
126.02773	0.4
135.04527	1.4
136.40938	0.3
137.02452	8.5
139.04034	2.4
145.02922	0.9
146.03764	0.8
147.04498	0.6
149.02438	5.8
150.03259	0.6
150.40028	0.3
151.04025	6.7
158.37805	0.3
159.03381	0.3
159.04465	1.7
160.05302	1.2
161.02415	1.6
161.06091	4.0
162.03226	1.3
163.03934	1.0
164.01163	2.0
165.01936	4.3
166.02731	0.4
167.03441	1.5
173.06038	0.6
174.03264	0.4
175.04016	1.8
175.07626	1.3
177.05537	0.5
178.30861	0.3
179.03493	5.3
185.06113	0.7
187.04010	3.4
188.01167	0.6
188.04784	3.0
188.63089	0.3
189.01953	0.8
201.05573	0.7
202.06308	1.7
203.03717	0.4
203.07129	9.7
205.05058	7.4
205.06554	0.2
206.05376	0.6
212.04771	0.5
217.08696	0.7
221.08160	2.1
227.07144	1.9
231.02936	0.7
245.08189	15.3
246.08492	1.0
247.06186	1.0
271.06134	1.0
289.07190	100.0
290.07529	7.7
313.02380	0.3
313.04001	0.3
313.07074	2.0
355.08105	0.8
451.12750	1.4
458.07001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05418	0.7
57.03454	4.3
59.01380	23.2
60.01702	0.7
61.98835	7.3
62.59350	0.7
69.03429	1.1
71.01372	3.8
71.54390	0.7
71.54821	0.7
73.02923	1.1
75.00878	0.9
81.03452	3.7
83.01392	6.1
85.02966	3.7
89.02467	1.6
93.03450	3.0
95.01368	1.6
95.05019	3.5
96.96008	9.3
97.02953	8.7
101.02417	1.7
108.02168	1.6
109.02952	29.2
113.02438	1.9
121.02941	5.3
121.28077	0.6
122.03709	2.2
123.00860	0.7
123.04531	21.2
125.02454	19.0
135.04489	2.4
137.02446	35.4
137.28098	0.6
138.02933	1.0
139.04008	5.9
145.02878	1.6
146.03667	1.1
147.04442	0.9
149.02454	7.7
150.03108	1.3
151.04008	14.5
153.01869	0.8
159.04489	3.7
160.05293	1.7
161.02448	2.2
161.04713	1.2
161.06058	7.7
162.03175	2.1
163.03966	1.9
164.01147	6.2
165.01933	11.5
166.02530	1.0
167.03491	2.7
173.06079	1.1
174.03177	1.1
175.04025	3.9
175.05287	0.8
175.07639	3.0
177.05612	0.8
179.03506	9.3
180.04070	0.8
185.06119	0.8
187.04027	6.0
188.04781	4.9
191.05594	5.7
199.07623	0.9
202.06343	3.9
203.03679	0.9
203.07146	20.9
204.04044	0.9
204.07405	1.7
205.03300	1.1
205.05049	12.2
212.04825	1.2
217.08705	1.2
221.08191	6.8
227.07164	2.7
229.05006	1.1
230.05956	1.4
231.03012	1.1
245.08183	34.3
246.08513	2.5
247.06168	2.6
254.44882	0.7
271.06006	2.5
289.07178	100.0
290.07486	6.8
311.49451	0.7
313.09497	1.2
319.13947	2.3
328.10242	0.7
353.08636	1.5
370.76166	0.7
388.16959	2.4
393.49759	0.7
451.12485	67.8
452.12610	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	451.1247
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.42895	0.4
57.03446	1.8
59.01385	3.1
61.98829	1.9
63.93967	0.4
69.70814	2.6
71.01386	0.8
73.02955	0.4
78.95913	0.8
79.32244	0.4
81.03471	1.8
83.01380	2.8
85.02942	1.5
87.00922	0.5
87.11623	0.4
89.02439	0.9
93.03459	1.6
95.01382	0.6
95.05028	2.4
95.05538	0.4
95.28696	0.4
96.96022	11.8
97.02965	5.1
99.04530	0.7
101.02472	0.4
107.05042	0.5
108.02202	0.6
109.02956	20.3
110.03338	0.5
111.04573	0.6
120.39227	0.4
121.02959	2.5
122.03794	0.8
123.04530	13.3
125.01527	0.7
125.02455	15.2
126.02769	0.6
135.04518	2.2
137.02448	9.6
138.03224	0.7
139.04008	2.8
145.02971	1.2
146.03719	1.1
149.02448	6.6
150.03334	0.9
151.04019	7.3
152.04272	0.4
157.06589	0.5
159.04523	1.8
160.05324	0.7
161.02443	2.0
161.06093	4.3
162.03218	0.8
163.04039	1.5
164.01192	2.3
165.01952	4.9
166.02658	0.7
167.03490	2.1
173.04567	0.6
173.06052	0.8
174.03294	0.6
175.04013	2.2
175.07608	1.1
177.05553	0.5
179.03487	5.3
185.06099	0.8
187.04034	3.7
188.04781	3.2
189.01930	0.7
191.05617	31.2
192.05927	1.5
193.05017	0.6
201.05586	0.6
202.06281	1.7
203.03699	0.9
203.07146	12.5
205.05051	5.7
212.04712	0.8
221.08212	2.6
227.07191	1.9
229.04916	0.4
230.05919	0.5
231.02992	0.7
245.08183	16.6
245.10722	0.9
246.08417	1.1
247.06184	1.2
271.06116	1.3
283.38080	0.4
289.07196	100.0
290.07574	7.5
313.07193	1.7
353.08826	5.7
354.09088	0.9
355.08295	0.7
451.12686	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	451.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.5
61.98833	29.0
67.79067	0.5
68.70697	0.5
70.28456	1.6
70.28835	1.0
71.01422	1.6
73.02975	0.6
74.08180	0.5
79.10400	0.4
83.05067	0.8
85.02992	1.3
89.02509	0.9
89.04019	0.7
93.03516	1.2
95.05074	1.3
101.02470	1.0
103.05602	0.7
104.49196	0.5
107.01427	0.7
108.02187	1.1
109.02953	22.7
119.05090	1.0
121.03037	1.2
123.00903	1.6
123.04527	12.6
123.05372	0.7
124.01698	0.9
133.02951	3.0
135.04558	1.7
138.03313	0.6
139.04039	0.9
139.11259	2.6
145.02992	1.6
147.04530	3.9
149.02557	0.6
150.03262	0.9
151.00420	1.6
151.03998	5.1
152.04498	0.6
153.00887	0.6
153.01991	1.3
159.04543	1.3
161.02423	5.8
162.03018	0.7
163.04016	0.8
167.03534	1.6
175.03870	0.6
176.01106	0.5
177.01930	21.0
178.02309	0.7
183.98917	0.5
187.04126	1.7
189.01933	50.3
190.02690	11.0
191.03523	10.2
201.01947	0.6
201.11322	4.3
203.03496	6.1
216.00612	7.3
217.01413	33.9
218.01941	2.7
219.02989	13.3
220.03299	0.9
231.02971	11.9
231.05144	1.1
232.03610	0.9
233.04395	0.8
245.08270	0.8
259.21890	0.6
287.05594	1.0
289.06879	2.4
289.12845	1.8
289.15652	0.6
297.07611	1.0
311.07544	1.1
323.05563	1.4
341.06653	100.0
342.07028	7.3
383.25510	0.6
451.10355	29.5
451.16913	1.9
451.32721	3.2
452.10803	2.8
467.30969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1247
Annotation	Robustaside E
Peak:m/z	Relative Intensity
55.01882	1.5
57.03450	1.4
59.01381	15.7
61.27415	0.8
61.98827	8.5
67.01905	1.8
68.99835	1.4
69.03471	1.1
71.01385	12.9
71.54603	0.9
73.02956	5.3
81.03481	2.7
83.01389	5.7
85.02965	8.0
87.00910	1.5
89.02467	2.6
89.03964	0.9
93.03481	1.8
95.01411	3.1
97.02982	1.9
99.00925	2.5
101.02441	6.4
101.06013	1.3
107.01429	2.0
108.02182	49.0
109.02966	41.7
110.00174	1.4
110.03323	1.7
111.00902	4.9
112.98843	2.1
113.02458	5.8
119.03558	1.5
121.02964	7.4
121.05072	1.1
122.03808	1.0
123.00889	12.1
123.01611	1.1
123.04562	6.7
123.05694	2.3
124.01727	3.1
125.02455	4.8
125.99644	0.9
127.00378	4.6
135.04559	1.4
136.98801	5.1
137.02464	10.8
137.85634	0.8
137.99638	1.5
138.03285	2.4
138.33702	0.9
139.00398	6.9
139.04053	4.9
147.04564	1.6
149.02505	1.9
149.99629	2.4
151.04089	2.8
152.01208	1.1
153.01961	3.6
153.05556	8.6
153.06613	0.9
154.02754	2.3
155.03513	2.0
161.02505	2.5
161.04637	2.0
163.05251	0.9
164.04790	1.5
165.01941	1.0
166.99873	4.1
167.03488	1.2
168.00656	9.1
169.01483	1.3
175.04039	0.8
177.01949	7.0
179.03540	1.9
181.01418	6.2
182.02225	16.7
183.02992	13.6
185.11845	12.7
188.05054	0.9
189.01926	12.8
190.02771	3.1
191.03560	3.2
191.05426	0.8
192.04294	0.9
193.01471	1.0
196.03775	1.9
197.04550	23.6
203.03571	0.9
216.00749	2.5
217.01430	10.1
219.02974	4.4
223.06151	1.6
225.04117	1.1
229.10922	1.0
231.03053	3.5
239.05693	0.9
242.70837	1.0
245.08336	3.1
247.07524	1.6
271.05865	0.9
283.10471	3.3
289.08301	5.6
290.09052	1.1
296.05542	1.3
311.04428	1.0
311.07935	3.5
326.06607	3.5
327.07217	9.3
331.09415	16.8
331.13275	1.2
331.17719	1.5
332.09851	1.2
332.47568	0.9
341.08899	31.3
342.09357	1.6
349.18896	0.9
361.10428	5.7
436.10400	3.4
451.12671	100.0
452.13120	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	451.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66011	0.4
59.01363	1.7
59.21312	0.4
61.98814	1.3
67.01883	1.3
70.92171	0.9
71.01369	0.9
73.02938	0.5
74.58846	0.4
81.03488	0.5
85.02953	0.7
87.00874	1.3
93.03452	6.8
94.03787	1.4
94.34594	0.3
95.05030	0.8
103.05526	0.8
105.03433	0.8
108.02164	0.8
109.02950	21.7
110.03324	0.6
111.04514	1.2
117.03420	0.6
119.05008	1.2
120.99652	0.5
121.02985	0.6
122.74921	0.4
123.04521	11.0
124.86275	0.4
133.02942	3.9
134.03778	2.7
135.00865	0.7
135.04465	1.5
137.02443	0.9
145.02956	2.4
147.04514	3.4
149.02417	0.7
150.03159	1.1
151.03986	5.9
155.03470	0.5
159.04482	1.2
161.02432	6.0
161.06047	0.5
162.03168	0.7
163.03760	0.7
173.04546	6.5
174.04922	1.9
175.05086	0.8
176.01155	0.6
177.01917	20.5
178.02284	0.9
187.04007	1.4
189.01917	47.6
190.02675	9.9
191.03502	10.5
191.05507	1.4
192.05948	0.4
193.06087	0.5
201.01904	0.6
203.03497	5.7
216.00609	7.2
217.01393	34.8
218.01927	3.2
219.02950	13.2
231.02974	11.2
231.10167	0.6
232.03639	1.0
232.10629	0.8
233.04396	0.7
233.10829	0.7
245.07999	0.7
256.08618	0.7
275.09259	1.7
276.09576	2.1
277.09946	2.5
281.04437	0.7
285.12424	2.8
289.07190	1.3
297.07687	0.6
322.33737	0.4
323.05658	1.6
341.06622	100.0
342.06940	7.5
352.18860	0.4
400.61020	0.4
404.94666	0.4
408.19406	1.1
451.10287	28.7
451.15735	3.2
452.10733	3.3
452.18002	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.7
61.98826	3.2
71.01395	1.1
74.10190	0.4
85.02969	1.5
87.00880	0.7
90.52103	0.5
93.03464	3.0
95.05087	0.8
98.19817	1.0
101.02448	0.6
108.02206	1.0
109.02953	26.3
110.03308	1.0
117.03465	0.7
119.05038	0.9
121.02973	0.9
123.04536	11.1
124.01669	0.6
124.04852	0.6
133.02960	3.5
134.03781	0.6
137.02504	0.8
139.04044	1.3
145.02988	2.0
146.03732	0.5
147.04503	3.7
149.02499	0.8
150.03259	0.9
151.04025	5.5
159.04504	1.3
161.02448	6.7
162.03233	1.0
163.04073	1.1
170.82672	0.5
173.04582	2.0
174.04938	0.8
176.01112	0.9
177.01924	25.8
178.02272	0.7
187.04056	1.2
189.01921	48.8
190.02695	11.1
191.03506	9.9
191.05589	1.9
192.03896	0.6
203.03531	5.6
216.00647	7.2
217.01408	31.8
218.02098	2.4
219.02975	11.7
231.02969	11.0
232.03627	1.0
233.04520	1.3
273.03101	0.7
277.10004	0.9
281.04529	1.7
289.07196	1.7
297.07687	0.9
299.05554	2.2
302.03452	0.6
303.03882	1.6
304.04062	1.5
305.04550	0.8
311.07538	1.0
323.05679	1.1
341.06635	100.0
342.06992	9.7
451.10281	30.6
451.15189	1.4
451.25290	0.6
452.10660	3.9
452.16052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01379	7.4
61.98830	2.8
63.68022	0.6
65.37621	0.6
69.03461	1.8
69.56276	0.5
71.01384	2.3
71.55190	0.6
73.02955	1.1
75.32032	0.5
77.61263	0.5
77.61725	0.6
79.95701	0.5
80.86620	0.5
81.03471	1.3
83.01389	1.2
85.02957	3.7
87.00903	0.8
90.36192	0.5
90.83453	0.6
93.03458	31.0
94.03821	0.9
95.01379	0.8
96.96030	4.0
97.02959	2.8
101.02466	1.6
107.94135	0.6
108.02168	1.4
109.02937	2.4
113.02461	1.0
119.03593	0.8
119.05037	2.1
121.02964	1.3
123.00858	5.3
123.04534	9.5
124.01667	14.1
125.02454	27.8
126.02877	0.9
129.02020	0.7
131.05040	1.0
134.03778	0.8
135.04504	1.9
137.02446	53.8
138.02792	1.6
144.61499	0.6
147.04498	0.8
149.02420	1.4
149.06090	2.1
149.99588	29.6
151.00337	2.2
151.04025	0.8
153.01953	0.9
155.03497	0.7
159.04495	0.7
160.01595	0.6
161.02492	1.5
163.03978	2.1
166.97650	0.6
167.03510	3.1
168.00641	62.7
169.01395	6.6
173.04556	2.3
175.03998	1.1
177.01930	0.8
179.03499	1.4
183.10196	1.4
191.05611	3.1
193.05043	0.9
203.10670	0.7
203.14435	0.6
227.03494	4.6
229.08704	0.9
244.09319	0.6
247.09825	0.7
289.07303	0.9
313.05649	17.5
331.06699	31.8
332.07010	1.9
341.06570	1.1
341.63513	1.2
450.65747	1.5
451.08801	100.0
452.09113	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	451.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63268	0.3
59.01378	3.0
61.98830	0.5
69.12267	0.3
70.54663	1.0
71.01391	0.8
73.02947	0.5
76.97050	0.3
78.95906	0.6
79.95730	1.6
83.01389	0.4
83.05002	0.3
85.02952	5.5
85.04449	0.2
87.00877	1.0
89.02457	0.5
93.03481	1.8
93.03960	0.3
95.05094	0.3
96.96016	86.4
97.02965	0.3
109.02963	1.7
111.04527	0.7
123.04515	0.8
123.71555	0.3
125.02461	1.2
127.04007	1.5
133.02971	0.7
135.04530	1.4
137.02435	1.3
139.04021	0.5
145.31012	0.3
149.02501	0.4
151.03995	0.9
160.04063	0.3
161.02428	1.9
173.04590	1.7
179.03503	1.5
191.05618	100.0
192.05965	3.2
197.23531	0.3
203.07137	0.8
205.04948	0.6
245.08243	1.1
260.97266	0.3
289.07144	5.1
353.08777	18.6
354.09070	1.5
364.11804	0.3
398.11316	0.3
451.11719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.5
61.98819	0.9
71.01376	1.1
71.53197	0.4
73.02945	0.4
75.00900	0.2
78.95910	0.3
79.95750	1.9
85.02940	0.9
87.00843	0.3
89.02442	0.9
93.03480	0.6
96.96009	100.0
97.95939	0.3
101.02448	0.8
109.02962	0.4
113.02432	0.5
127.03971	0.3
134.03737	0.4
135.04527	3.8
149.04565	0.8
161.02403	0.7
161.04591	0.3
173.04514	0.4
179.03494	3.9
179.05597	0.9
191.05603	15.8
192.05933	0.6
226.06488	0.3
234.99326	0.6
241.08585	0.5
245.08066	0.4
248.97086	0.4
275.02432	0.4
278.98477	0.3
289.07227	0.4
317.07819	0.3
353.08783	7.6
354.09290	0.5
391.03558	0.3
401.20993	0.2
410.19519	0.3
451.05267	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	451.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17947	0.3
53.09949	0.3
54.67834	0.2
59.01373	1.8
61.65741	0.3
63.93526	0.3
69.94246	1.1
71.01379	0.7
73.02950	0.3
78.95869	0.4
79.95735	2.6
80.16200	0.3
83.01411	0.4
85.02952	2.2
87.00873	0.3
93.03459	0.8
96.96013	100.0
97.97169	0.3
98.20571	0.4
101.02452	0.6
109.02940	0.4
111.00851	0.3
124.51526	0.3
125.02457	0.4
127.04021	0.5
135.04547	0.4
137.02487	0.4
161.02495	1.0
173.04587	0.5
179.03481	0.7
191.05608	40.0
192.05908	1.4
233.78751	0.3
260.97104	0.4
278.28635	0.3
282.78882	0.3
289.07275	0.8
338.89618	0.3
339.58496	0.3
353.08771	7.4
354.09137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
59.01379	38.7
60.01712	2.8
61.01813	0.9
61.98830	100.0
65.01215	0.4
67.01907	0.4
69.77318	1.4
69.77740	0.7
71.01376	5.0
73.02958	2.0
81.03461	4.6
82.03807	1.4
83.01384	1.8
83.05070	0.4
84.01717	0.4
85.02950	2.8
86.03325	0.4
87.00912	0.7
89.02446	1.6
91.75365	0.4
93.03469	1.6
94.03828	0.6
95.01394	0.5
95.05031	2.0
96.05413	0.9
97.02964	1.4
99.00869	0.5
99.04520	5.0
100.04869	1.6
101.02442	4.2
107.55538	0.4
108.02184	0.6
109.02959	1.6
111.04549	1.0
113.02460	2.5
117.03442	2.8
118.03839	1.6
119.03481	0.7
123.04534	2.0
124.04859	0.7
125.02444	11.8
125.03321	0.7
126.02778	4.2
131.03564	0.4
133.02997	0.6
134.03375	0.5
137.02467	1.6
138.02808	0.7
139.04036	0.8
140.04399	0.7
151.03970	0.4
152.01187	1.1
153.01964	0.8
158.03708	0.6
159.04478	1.4
160.04887	0.9
161.02467	0.7
161.04561	2.8
162.02733	0.5
162.04916	0.7
165.02032	0.5
167.03490	31.0
168.03836	18.7
168.05299	0.6
169.03954	0.8
172.05339	0.5
173.04582	1.6
173.05957	0.8
174.04903	0.9
174.06389	0.5
179.03551	0.7
187.07664	2.4
188.07986	2.7
191.05602	5.3
191.07187	0.5
192.05954	2.1
197.04559	6.1
198.04868	4.8
202.06427	0.8
203.06732	0.5
203.10921	0.4
204.11107	0.6
209.04698	0.5
210.04843	0.5
214.09615	0.5
231.10321	0.8
232.10524	1.8
235.02484	1.0
236.02893	1.2
245.01256	0.4
258.08633	0.6
269.06595	0.5
275.09244	4.4
276.09576	10.5
287.04825	0.6
287.07782	1.6
288.05188	0.5
288.08047	1.9
298.04605	0.5
299.04782	0.7
300.05453	1.3
301.05588	0.9
302.06610	1.0
312.06116	0.5
328.05417	1.4
329.06110	2.9
330.06894	10.1
358.06561	0.7
359.07181	1.2
360.07379	3.0
389.22104	0.7
390.22144	3.9
391.23456	5.9
393.57880	0.4
407.19250	0.7
432.09595	1.0
450.09814	5.0
450.15256	1.3
451.08954	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	450.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
61.98827	100.0
70.62411	0.4
70.62769	0.3
71.01372	0.3
83.01408	0.3
85.02953	0.4
87.00878	0.3
91.80358	0.1
93.03455	1.8
94.03829	0.5
102.06866	0.2
104.77949	0.2
111.04538	0.3
134.03722	0.2
135.04526	0.6
136.04886	0.4
137.02443	0.2
145.01398	0.3
154.99829	0.4
173.04547	1.6
174.04912	0.6
176.46825	0.2
179.03561	0.3
191.05566	1.2
192.05911	0.4
213.14944	1.3
235.28200	0.2
276.09482	0.3
360.08688	0.2
450.15021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.0
60.01709	1.0
60.99320	0.5
61.98830	100.0
67.01899	0.9
69.33615	1.6
69.34039	1.6
71.01382	1.8
73.02919	0.7
77.65108	0.4
81.03462	0.5
83.01367	0.4
83.05039	0.9
85.02953	2.6
85.05654	0.4
86.03297	0.9
87.00879	1.7
89.02447	0.5
93.03458	7.5
94.03793	2.4
101.02448	0.9
109.02970	1.6
111.04551	1.7
119.05045	0.7
123.04517	0.6
127.04042	0.5
133.02936	0.6
135.04596	0.6
136.04869	0.6
137.02473	1.4
138.02791	0.7
151.04034	1.3
152.04369	0.6
155.03436	0.5
159.04456	0.5
160.04826	0.6
161.04626	0.5
163.04111	0.8
170.23305	0.4
173.04535	8.0
174.04875	4.2
177.02019	1.0
178.54192	0.4
184.04878	0.4
187.07652	1.2
188.08046	1.7
189.01920	2.8
191.05606	22.6
192.05951	11.0
193.06126	1.5
194.56013	0.4
203.10785	0.6
204.11163	0.5
213.09209	1.3
214.09497	2.4
215.07132	0.6
216.07538	1.0
217.01433	1.6
219.03036	0.8
227.12871	0.6
228.13301	0.6
231.03119	0.8
231.10229	1.0
232.10663	1.8
256.66510	0.4
257.08273	2.1
258.08502	3.7
270.14258	0.8
275.09335	1.8
276.09601	3.7
277.47751	0.4
285.03906	0.5
286.04077	1.2
287.04468	1.5
287.15182	0.9
288.05542	1.0
288.09570	1.1
288.15460	1.8
341.06610	4.9
390.22424	2.0
450.10168	1.4
450.15656	2.8
450.20859	0.8
451.10709	1.6
451.33084	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	450.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30563	0.7
54.20519	0.8
57.03449	1.0
58.97569	0.6
59.01382	15.0
61.98833	18.5
62.19658	0.7
69.03448	0.6
71.01375	2.6
71.54098	0.8
71.54517	0.9
71.75883	0.7
73.02949	1.7
85.02956	2.1
88.80289	0.6
89.02448	2.9
95.01443	0.9
96.96011	2.3
97.02979	1.2
101.02441	2.7
109.02945	4.1
113.02442	1.6
116.92892	0.9
119.05017	1.4
120.01248	0.7
123.04553	2.9
124.01672	29.1
125.02477	4.2
135.04459	1.4
137.02461	2.9
139.04018	100.0
140.04350	4.1
149.02446	0.9
151.04005	1.8
161.02495	0.7
161.04620	0.8
163.04025	1.4
165.01892	1.4
166.02663	1.2
167.03421	2.0
168.03876	0.7
175.03941	0.9
179.03395	1.2
181.04962	0.7
187.04028	0.8
191.05609	1.9
200.04213	0.7
203.07120	2.2
205.05139	1.5
211.94554	0.8
218.05447	1.1
241.01930	1.8
241.05042	2.0
242.02129	1.5
242.05452	1.4
245.08224	1.6
271.02924	0.8
272.03101	0.7
273.19769	0.6
285.04184	1.9
286.04327	2.3
287.05655	1.1
289.07187	20.5
314.09558	2.1
343.10312	5.0
353.48862	0.9
362.06186	0.9
412.16263	1.0
450.11301	1.2
450.19223	1.1
450.72083	0.9
468.87161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01711	0.7
61.98835	0.7
63.88684	0.3
67.01905	0.6
69.03467	0.5
70.91847	0.9
71.01382	3.5
73.02944	0.9
74.74896	0.4
82.87778	0.4
83.01418	0.4
85.02953	3.1
87.00889	1.2
93.03455	4.6
99.00898	0.5
100.41396	0.4
101.02458	1.2
102.57517	0.3
111.04542	0.7
113.02470	1.3
125.02436	0.9
127.04043	0.4
129.06398	0.4
134.03767	0.8
137.06094	0.8
161.04530	2.5
173.04567	4.9
174.06895	0.6
187.07721	0.9
191.05612	29.2
192.06007	0.8
202.06454	0.4
213.09280	1.2
227.03491	0.6
227.16571	0.5
228.03960	0.5
229.04169	0.6
231.10307	1.6
256.03415	0.6
257.03732	0.8
257.08160	2.3
275.09238	3.8
284.03452	0.5
285.03647	0.5
286.04022	0.8
287.04623	0.5
389.21802	5.4
390.22034	0.6
449.09174	1.8
449.15295	2.3
449.24094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03450	1.0
58.00603	0.4
59.01376	100.0
60.01707	1.5
61.98827	11.9
63.84001	0.5
69.27788	3.9
71.01379	9.8
73.02936	3.5
81.03461	0.4
83.01383	1.0
83.05048	1.4
85.02940	4.0
85.03304	0.3
87.00895	0.8
89.02439	4.0
89.07134	0.5
93.03439	3.8
95.01394	0.9
99.00877	1.1
101.02438	7.1
109.02952	0.5
111.04552	1.7
113.02453	4.9
119.03527	1.2
123.04497	0.6
125.02421	3.7
127.04044	0.5
135.04541	1.5
137.02486	1.0
143.03508	1.1
146.03757	0.9
148.05345	0.6
149.02461	0.6
155.03534	2.5
158.03745	4.0
159.03055	1.2
159.04504	7.2
161.04564	7.3
167.03479	0.9
167.13409	0.4
172.05334	1.2
173.04591	6.8
173.06142	3.6
174.06853	1.5
175.07675	1.2
179.05579	0.8
187.04045	2.6
187.07631	18.9
188.08066	1.0
191.05602	13.0
192.06018	0.7
193.01509	1.2
201.05643	1.4
202.06354	4.7
203.10780	5.3
213.05589	0.5
213.09325	1.4
215.07237	1.1
216.07935	0.7
225.15033	0.7
227.16631	2.3
228.54465	0.4
231.06744	0.8
231.10236	9.8
232.10577	0.7
248.53883	0.5
257.08279	1.6
259.06055	2.0
269.04620	1.2
275.09232	50.6
276.09525	2.8
287.05740	1.7
329.06775	1.9
387.16385	0.7
389.21811	8.3
390.22073	0.7
407.23053	0.9
449.15588	5.0
449.20486	1.7
450.15018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46730	0.7
55.01865	1.5
57.03434	1.5
58.87676	0.7
59.01379	66.6
60.99312	1.0
61.98833	7.3
67.01887	5.0
69.03452	1.2
69.24110	3.2
69.24543	3.0
71.01382	26.2
72.99303	0.9
73.02944	7.2
83.01384	3.3
83.05035	1.3
85.02950	16.6
87.00878	15.4
89.02435	3.2
93.03458	27.3
95.01396	2.1
99.00867	4.8
101.02442	18.5
106.15252	0.7
109.02999	0.9
111.00878	1.4
111.04487	4.5
113.02438	10.3
119.03501	0.8
123.04366	0.7
125.02426	0.8
127.03956	1.0
129.01955	2.4
133.02965	1.4
134.03200	0.8
137.02451	1.5
143.03471	1.4
155.03499	2.7
155.93851	0.9
158.03732	2.6
159.02969	3.9
159.04507	3.2
161.04550	16.4
169.33810	0.7
173.04552	30.3
173.06003	2.4
174.04901	1.0
174.06784	1.1
175.07616	1.2
179.05663	1.1
183.04477	1.4
187.07642	11.0
191.05605	100.0
192.05981	1.9
200.04774	1.1
202.06308	2.6
203.10753	2.3
211.04222	0.7
213.09224	4.4
213.95837	0.7
215.07072	2.4
225.14856	1.6
227.16556	6.5
231.10222	5.1
257.08191	14.1
275.09222	18.3
276.09567	1.6
286.03833	0.8
299.05063	2.0
299.18637	9.5
300.05688	0.8
300.18799	0.9
301.06192	1.3
327.05145	2.6
328.05350	2.6
329.05655	9.2
358.06143	0.8
359.06754	3.0
389.21805	59.4
390.22229	4.7
410.33499	0.8
449.08801	3.5
449.15121	6.8
449.24155	1.2
466.08456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03450	1.0
58.00603	0.4
59.01376	100.0
60.01707	1.5
61.98827	11.9
63.84001	0.5
69.27788	3.9
71.01379	9.8
73.02936	3.5
81.03461	0.4
83.01383	1.0
83.05048	1.4
85.02940	4.0
85.03304	0.3
87.00895	0.8
89.02439	4.0
89.07134	0.5
93.03439	3.8
95.01394	0.9
99.00877	1.1
101.02438	7.1
109.02952	0.5
111.04552	1.7
113.02453	4.9
119.03527	1.2
123.04497	0.6
125.02421	3.7
127.04044	0.5
135.04541	1.5
137.02486	1.0
143.03508	1.1
146.03757	0.9
148.05345	0.6
149.02461	0.6
155.03534	2.5
158.03745	4.0
159.03055	1.2
159.04504	7.2
161.04564	7.3
167.03479	0.9
167.13409	0.4
172.05334	1.2
173.04591	6.8
173.06142	3.6
174.06853	1.5
175.07675	1.2
179.05579	0.8
187.04045	2.6
187.07631	18.9
188.08066	1.0
191.05602	13.0
192.06018	0.7
193.01509	1.2
201.05643	1.4
202.06354	4.7
203.10780	5.3
213.05589	0.5
213.09325	1.4
215.07237	1.1
216.07935	0.7
225.15033	0.7
227.16631	2.3
228.54465	0.4
231.06744	0.8
231.10236	9.8
232.10577	0.7
248.53883	0.5
257.08279	1.6
259.06055	2.0
269.04620	1.2
275.09232	50.6
276.09525	2.8
287.05740	1.7
329.06775	1.9
387.16385	0.7
389.21811	8.3
390.22073	0.7
407.23053	0.9
449.15588	5.0
449.20486	1.7
450.15018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18802	0.4
59.01377	100.0
60.01712	0.9
71.01386	2.9
73.02953	0.9
76.52599	0.4
85.02946	3.7
87.00903	1.2
93.03450	4.2
98.20675	0.7
101.02428	2.4
105.03508	0.3
111.04536	0.7
113.02444	1.0
127.03995	0.6
134.03824	0.5
137.06078	0.7
148.08234	0.4
155.03473	0.4
161.04498	2.2
173.04538	4.3
174.06851	0.4
187.07626	0.9
191.05602	26.2
192.05994	0.7
203.07298	0.3
213.09190	0.7
227.03519	0.5
227.16541	0.5
228.03864	0.7
229.04201	0.6
231.10120	2.0
255.03090	0.7
256.03247	0.6
257.03641	1.2
257.08038	1.7
275.09174	2.9
284.03271	0.5
285.03806	0.6
286.03928	1.4
311.07733	0.4
389.21844	4.3
390.22464	0.4
431.13635	0.4
449.09399	3.2
449.14795	1.5
449.24020	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	449.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78175	0.3
58.16679	0.3
59.01369	0.6
61.98817	1.4
66.37152	0.3
69.35303	0.3
71.54466	0.4
72.39559	0.3
72.65746	0.3
73.77359	0.3
78.95905	50.2
95.75630	0.3
96.96958	6.5
109.65090	0.3
116.92816	0.4
119.64957	0.3
120.22755	0.3
150.98024	1.5
152.99583	100.0
153.99898	1.2
171.00656	3.9
174.13260	0.3
295.22635	0.8
449.23065	16.3
450.23444	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85233	0.4
54.03693	0.4
55.01875	0.6
57.03455	1.6
59.01380	100.0
60.01727	0.8
61.98826	4.6
67.01908	0.6
69.03442	0.8
69.23737	1.2
69.24150	3.2
71.01377	6.2
73.02934	2.2
75.00890	1.1
80.25341	0.5
83.01422	1.3
85.02952	8.4
87.00889	1.0
87.04546	0.5
89.02462	1.6
93.03452	4.6
93.03934	0.4
95.01402	0.8
96.96021	2.0
101.02439	4.1
101.96133	0.5
102.02766	0.6
104.26575	0.6
105.03495	0.5
111.00927	0.7
111.04480	0.7
113.02457	2.1
119.03482	0.8
121.02995	0.6
123.04527	4.0
123.05312	0.6
125.02464	1.1
127.03970	0.7
129.01968	1.0
133.03008	0.9
134.03777	0.6
135.04530	1.1
137.02449	3.6
147.02989	0.8
147.04576	0.5
149.02475	2.0
151.04073	0.6
153.67355	0.5
155.10825	1.3
159.04504	0.6
161.02469	1.4
161.04616	2.1
167.03481	1.1
173.04538	4.3
185.11839	2.7
186.91365	0.4
187.07700	1.4
188.04207	0.5
191.02048	1.3
191.05597	5.3
199.09973	0.5
199.13495	1.0
201.11464	0.5
202.06366	0.6
213.09271	0.9
215.07187	0.7
227.03542	1.6
227.12953	0.9
228.03905	1.1
229.04062	1.1
231.10274	2.4
255.03053	1.4
256.03439	1.1
257.03708	1.5
257.08261	1.1
269.13940	0.5
269.17792	0.5
275.09253	3.3
281.06647	1.0
284.03217	0.9
285.03751	1.4
286.03983	1.8
287.09393	0.6
329.16235	2.0
347.17068	6.3
348.17850	0.6
389.18109	4.6
390.18927	0.6
449.09906	9.6
449.24796	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	449.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30490	0.9
55.01875	1.0
57.03442	4.3
59.01382	100.0
60.01714	1.1
61.98831	28.2
65.00331	4.5
67.23100	0.8
68.99552	1.6
69.19176	9.6
71.01380	16.2
72.99303	1.3
73.02936	5.1
83.01380	3.8
83.05029	1.1
85.02954	16.7
87.00878	1.9
89.02451	12.4
90.02776	1.2
93.03452	3.9
95.01353	1.4
96.96002	1.7
97.76612	1.0
98.19854	1.7
99.04520	6.4
101.02455	10.3
106.57701	0.8
107.01414	6.7
109.02953	2.6
109.06582	1.1
110.69930	0.9
111.00887	1.5
112.98558	1.3
113.02452	7.2
119.03489	3.8
123.04541	1.2
123.13025	0.9
125.02460	3.0
127.07673	1.0
129.01932	2.7
135.04527	31.7
137.02472	1.8
145.02980	1.6
146.86452	1.0
150.79808	0.9
151.00378	41.3
155.10744	2.5
161.02397	1.2
161.04602	1.7
163.12410	1.0
165.09172	3.1
165.12874	4.7
173.04532	7.5
175.00349	2.5
179.05469	1.1
191.01903	1.8
191.05630	14.6
199.09877	1.6
205.03510	1.8
207.13876	5.2
209.11832	19.6
213.09140	2.4
215.07195	1.5
225.14932	4.9
227.12941	2.1
231.10268	2.6
235.69324	0.9
243.12234	1.4
251.12820	2.7
257.08200	3.1
269.13934	76.5
270.14331	5.4
275.09232	2.5
281.06711	1.1
285.03848	1.3
286.04126	1.5
287.05612	48.2
287.14822	5.9
288.05905	2.6
329.16135	1.4
333.15546	1.1
347.16971	2.7
389.17859	2.6
389.22269	1.4
449.09604	3.2
449.19717	44.2
450.20288	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	449.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	63.9
60.38479	17.3
61.98814	60.8
68.87918	19.5
69.80648	100.0
78.95900	89.4
82.81802	18.9
95.89605	18.0
98.20652	30.2
108.23514	18.4
113.71891	19.4
152.99590	83.0
160.84178	37.4
185.72162	19.5
200.29988	17.6
273.08566	18.8
284.74481	22.9
339.08521	17.6
365.16589	23.9
417.17203	20.9
449.23227	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30490	0.9
55.01875	1.0
57.03442	4.3
59.01382	100.0
60.01714	1.1
61.98831	28.2
65.00331	4.5
67.23100	0.8
68.99552	1.6
69.19176	9.6
71.01380	16.2
72.99303	1.3
73.02936	5.1
83.01380	3.8
83.05029	1.1
85.02954	16.7
87.00878	1.9
89.02451	12.4
90.02776	1.2
93.03452	3.9
95.01353	1.4
96.96002	1.7
97.76612	1.0
98.19854	1.7
99.04520	6.4
101.02455	10.3
106.57701	0.8
107.01414	6.7
109.02953	2.6
109.06582	1.1
110.69930	0.9
111.00887	1.5
112.98558	1.3
113.02452	7.2
119.03489	3.8
123.04541	1.2
123.13025	0.9
125.02460	3.0
127.07673	1.0
129.01932	2.7
135.04527	31.7
137.02472	1.8
145.02980	1.6
146.86452	1.0
150.79808	0.9
151.00378	41.3
155.10744	2.5
161.02397	1.2
161.04602	1.7
163.12410	1.0
165.09172	3.1
165.12874	4.7
173.04532	7.5
175.00349	2.5
179.05469	1.1
191.01903	1.8
191.05630	14.6
199.09877	1.6
205.03510	1.8
207.13876	5.2
209.11832	19.6
213.09140	2.4
215.07195	1.5
225.14932	4.9
227.12941	2.1
231.10268	2.6
235.69324	0.9
243.12234	1.4
251.12820	2.7
257.08200	3.1
269.13934	76.5
270.14331	5.4
275.09232	2.5
281.06711	1.1
285.03848	1.3
286.04126	1.5
287.05612	48.2
287.14822	5.9
288.05905	2.6
329.16135	1.4
333.15546	1.1
347.16971	2.7
389.17859	2.6
389.22269	1.4
449.09604	3.2
449.19717	44.2
450.20288	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	449.1496
Annotation	Suvorexant
Peak:m/z	Relative Intensity
58.13077	0.6
59.01379	3.6
61.98823	4.3
62.96410	21.6
67.01877	2.0
67.75145	0.8
67.76633	0.7
69.66956	3.7
71.01381	1.6
78.95903	51.5
80.97469	27.3
81.03469	1.2
85.02933	1.2
87.00865	3.6
93.03457	17.4
111.04526	3.8
116.92834	2.1
123.27683	0.7
128.11082	0.8
133.02975	2.2
134.03731	4.4
135.04491	2.3
137.68687	0.8
138.63791	0.7
147.07578	0.7
149.00095	11.9
155.03479	1.1
160.01619	1.1
162.03214	1.8
173.04536	20.3
179.01138	1.7
187.07532	0.8
191.05598	8.7
205.15962	6.3
206.16281	0.8
231.10260	3.1
242.98236	4.7
275.09219	7.7
285.12634	2.3
329.05676	1.2
355.16779	15.7
356.17062	1.2
385.17905	18.5
386.18259	1.5
449.14902	100.0
450.15161	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	449.1489
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01369	3.0
60.99283	0.8
61.50356	0.5
61.98832	3.0
62.96410	19.7
67.01881	2.9
67.99696	0.5
69.03451	0.9
70.66870	1.0
71.01374	1.2
78.95905	50.8
80.97469	28.8
81.03439	0.9
83.05075	0.6
85.02971	0.6
87.00871	4.1
93.02865	1.0
93.03459	21.3
94.03741	0.6
99.00873	0.7
104.85952	0.5
105.03446	0.6
109.59989	0.5
111.04501	2.8
133.02971	2.7
134.03745	4.9
135.04517	2.9
137.02475	1.2
147.17860	0.6
149.00098	12.0
155.03497	1.3
161.02419	1.3
162.03195	1.8
173.04546	24.2
176.39235	0.6
177.01935	0.7
179.01155	1.3
179.03610	0.7
187.07582	0.6
191.05609	10.0
191.81085	0.5
205.15958	7.2
231.10248	3.5
242.98257	4.1
257.08017	0.7
275.09265	9.5
285.12601	1.9
302.03256	0.7
304.60910	0.5
327.04852	0.7
329.05771	0.7
351.06931	0.6
355.16769	15.5
356.17001	1.6
385.17847	20.0
386.18234	1.3
449.14941	100.0
450.15329	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	449.109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06148	0.2
54.06890	0.2
58.58009	0.2
58.91228	0.2
59.01381	2.4
61.98830	0.9
65.03962	0.5
67.01881	0.5
70.99474	0.2
70.99797	0.4
71.01379	2.1
73.02942	0.7
80.99104	0.2
81.03469	0.3
83.01392	0.4
83.07285	0.2
85.02954	1.6
87.00883	0.7
89.02436	0.4
91.01891	0.5
93.03457	58.1
94.03775	1.4
95.01372	0.3
95.05042	0.3
96.96009	0.8
101.02443	1.2
107.01337	0.5
108.02168	0.7
109.02962	0.6
111.00861	0.5
113.02468	0.6
120.99674	0.3
121.03050	0.3
123.00858	0.5
123.04537	1.6
129.01924	0.3
133.02975	0.6
134.03766	1.2
135.04486	1.4
137.02441	100.0
138.02771	3.0
139.11273	0.6
150.50380	0.2
151.00351	2.4
152.01134	1.4
153.01910	0.3
161.02490	0.3
161.05943	0.2
162.03183	0.3
167.03487	3.6
173.04550	1.5
175.03970	0.4
191.05606	3.4
193.05090	0.5
201.11275	1.4
231.10280	0.9
257.03281	0.3
257.08221	0.4
271.02533	0.4
273.03073	0.4
275.09253	2.6
276.09525	0.3
287.05670	1.1
296.05389	0.6
297.95392	0.2
301.03320	0.3
302.03488	0.3
311.07779	4.2
345.06082	0.3
352.42297	0.3
407.07675	0.3
411.30283	0.2
449.09985	1.6
449.20734	0.5
449.27676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63281	0.5
55.01866	0.6
57.03434	1.6
59.01377	64.4
60.01696	0.9
61.98827	33.4
65.00320	8.0
69.39576	3.0
69.39984	1.2
71.01381	7.1
73.02953	3.2
83.01378	5.4
85.02948	6.0
87.00861	0.9
87.04498	0.9
89.02443	6.4
93.03455	3.8
93.03942	0.6
95.01405	0.7
98.20628	1.1
99.04510	1.5
101.02431	5.7
107.01388	14.9
107.04990	0.7
108.02154	1.8
109.02974	3.1
111.04488	0.6
113.02440	3.1
119.03488	2.0
121.02922	0.6
123.04531	1.3
125.02447	5.0
129.01950	1.0
131.01350	0.6
134.03757	1.8
135.04521	70.5
136.04845	2.5
137.02467	3.9
149.02448	1.0
151.00362	89.8
151.03998	2.2
152.00804	3.4
155.10759	1.1
161.02412	1.3
161.04547	1.3
165.01970	1.3
165.09215	1.4
165.12892	0.9
167.03479	2.5
169.01338	0.9
173.04561	2.1
175.00354	6.8
177.01938	0.7
179.03519	0.7
179.05621	1.8
185.11940	0.7
186.80779	0.5
187.07616	0.8
191.05612	7.6
193.01404	1.9
201.11377	0.7
207.13910	2.0
207.58968	0.5
209.11758	5.4
225.15041	1.7
227.12848	3.0
251.12695	0.9
269.04584	0.7
269.13916	18.3
270.14233	1.2
275.09219	1.8
281.06714	0.8
284.03210	1.5
285.03796	2.6
286.04068	3.4
287.05600	100.0
287.14883	9.2
288.05963	6.9
311.05634	0.7
313.05835	1.1
329.16016	1.5
347.16977	2.7
367.30420	0.6
389.18103	2.1
389.21771	1.8
449.10498	9.4
449.19498	13.1
450.20340	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
57.03445	1.4
58.00599	0.6
59.01381	55.5
60.01707	0.9
61.98832	26.1
63.02401	0.5
65.00326	7.4
69.03453	0.6
69.33333	0.7
69.33740	3.0
71.01381	7.8
72.99298	0.6
73.02946	2.5
83.01390	4.8
85.02959	5.5
87.00874	1.4
89.02444	5.5
93.03452	3.8
93.29160	0.5
95.01353	0.6
97.02942	0.5
99.04531	0.8
101.02446	6.1
107.01389	15.3
108.02220	0.9
109.02971	3.2
113.02446	2.7
119.03503	2.0
121.03008	0.6
123.04563	1.0
125.02435	4.1
125.03034	0.4
131.01410	1.2
134.03754	2.0
135.04527	70.0
136.04858	1.8
137.02449	4.6
143.03510	0.5
147.03033	0.5
148.01559	0.5
149.02446	1.0
151.00366	85.2
151.03990	1.3
152.00706	2.9
153.05487	0.5
159.03059	0.5
161.02441	1.6
161.04565	1.6
165.01970	0.9
165.09222	1.3
167.03523	2.7
173.04584	2.2
175.00377	5.4
177.01913	1.1
179.05614	1.1
185.11783	1.0
187.07672	0.7
191.05597	6.5
193.01422	2.0
205.03453	0.6
207.13882	1.8
209.11813	3.9
215.44493	0.5
217.01414	0.6
225.14952	1.5
227.12827	3.8
231.10274	0.7
251.12901	0.7
269.04431	1.2
269.13937	15.1
270.14221	1.0
275.09409	0.9
281.06665	1.1
284.03268	0.9
285.03961	2.8
286.04077	3.6
287.05615	100.0
287.14883	9.5
288.05991	7.8
311.05600	0.7
313.05881	0.8
329.06805	0.9
329.16098	2.4
347.17218	3.0
389.17422	2.7
389.21927	1.7
449.10355	9.3
449.19455	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	449.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73194	0.4
51.74747	0.3
54.25359	0.4
59.01385	3.8
61.98840	0.6
63.02393	1.3
65.00325	9.1
69.38718	0.8
69.39121	2.0
71.01347	0.5
83.01396	4.4
83.67361	0.3
85.02971	0.4
91.32655	0.3
93.03460	1.0
103.88606	0.3
107.01397	17.3
107.05003	0.3
107.94738	0.3
108.99294	0.4
109.02948	1.2
113.72022	0.4
124.07705	0.4
125.02464	4.6
133.02979	0.7
134.03787	1.0
135.04533	67.4
136.01688	0.7
136.04831	2.6
137.02419	0.7
138.13780	0.4
139.11281	0.9
151.00375	100.0
152.00723	3.2
155.10820	0.4
161.02434	1.4
163.03922	0.3
164.01143	1.1
165.01968	0.6
169.01405	0.6
173.04521	0.8
177.01941	0.8
185.11807	1.5
196.00156	0.5
201.11282	1.7
205.90169	0.3
215.33308	0.3
243.03004	0.5
244.03091	0.4
245.03568	0.4
269.04630	0.5
271.02496	0.5
273.02954	0.6
275.09201	1.2
285.03955	0.6
287.05621	70.7
288.05942	5.9
297.09860	1.1
301.03244	0.5
302.03439	1.0
303.03619	0.4
449.10822	31.8
449.23956	1.1
450.10934	3.4
474.94852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03278	0.3
55.01871	0.6
57.03440	2.9
59.01378	52.6
60.01710	1.7
61.01786	1.3
61.98829	33.3
66.51025	0.4
68.99804	0.4
69.03441	1.0
69.64912	2.4
71.01385	5.8
71.05011	0.7
73.02937	0.9
81.03456	14.3
82.03809	0.4
83.01385	3.0
83.05032	0.9
85.02944	1.4
89.02440	4.6
93.03460	3.3
95.01376	1.0
95.05027	6.7
97.02950	3.5
99.04517	12.9
101.02429	3.5
104.17280	0.4
107.05038	0.5
109.02946	0.6
111.04531	3.0
113.02448	2.1
117.03465	11.3
118.03818	0.6
119.03492	1.8
123.04530	5.9
125.02447	35.9
126.02814	0.6
133.15445	0.4
135.04521	1.5
137.02446	5.3
139.04010	2.6
143.03471	0.7
146.03682	0.7
147.04512	0.5
149.02431	0.9
149.04477	0.5
151.03972	0.7
155.03496	1.7
158.03746	1.9
159.04535	4.4
161.02454	2.9
161.04570	2.4
163.03987	0.9
165.01947	1.2
167.03490	100.0
168.03798	3.9
172.05278	0.5
173.04539	3.3
173.06053	2.1
174.06772	0.8
175.07690	0.8
179.03398	2.3
179.05614	1.7
181.26935	0.4
187.04019	1.2
187.07629	10.6
188.08112	0.8
191.05592	7.0
193.01416	1.9
197.04544	24.7
198.04915	0.7
201.05592	0.7
202.06387	2.1
203.10648	2.5
207.02995	0.5
209.04517	1.3
213.09047	0.6
227.05569	0.9
231.10287	4.6
235.02463	5.1
257.08112	0.9
259.06079	0.5
265.03513	0.9
269.06671	1.8
275.09241	28.9
276.09497	2.5
287.07776	7.5
288.08063	0.5
329.06653	24.8
330.06989	1.4
359.07727	4.6
389.21759	8.6
390.22244	0.7
449.15594	3.2
449.23795	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09708	1.3
53.20811	1.3
57.03432	1.7
59.01377	98.7
59.17780	1.1
61.98827	30.3
65.00317	1.8
67.01875	1.6
69.41067	8.1
69.41482	2.2
71.01379	9.6
73.02939	2.6
79.01855	1.6
80.91668	5.4
81.03453	10.4
83.01382	6.6
85.02950	5.9
87.00871	2.7
89.02439	8.9
91.72307	1.3
93.03452	9.9
95.01381	3.7
95.05013	7.5
96.96006	2.4
97.02950	7.3
99.04488	5.1
101.02432	8.8
105.03494	1.4
107.01375	3.2
107.05000	3.4
109.02953	3.7
111.00902	1.2
111.04503	3.3
113.02420	4.7
115.04066	1.2
119.03534	1.2
119.05056	1.5
120.54523	1.2
121.02933	6.0
123.04531	15.5
124.01665	2.2
125.02441	34.3
127.03934	1.3
129.79251	1.2
131.03471	1.2
131.05060	2.9
133.02957	6.4
135.00972	1.6
135.04539	2.8
137.02448	11.4
139.04005	4.3
149.02431	5.8
151.00328	3.0
151.04001	3.0
152.01128	2.5
153.01923	4.2
154.00920	2.3
155.03482	2.5
158.03682	1.9
159.04482	2.4
161.02449	1.3
161.04536	2.3
163.00389	2.3
164.01045	2.6
165.01953	12.2
166.02690	14.1
167.03488	48.7
168.03778	1.9
173.04555	3.9
173.05952	2.3
175.04018	1.9
177.01927	3.5
177.05547	6.5
178.02629	1.4
179.03467	4.4
179.05630	1.6
179.72153	1.2
184.01965	10.1
187.07645	3.3
190.02644	1.5
191.03877	1.8
191.05591	14.6
192.05927	2.8
193.01389	5.1
194.02158	4.5
197.04541	9.7
197.06061	1.8
199.04314	7.5
199.07661	1.8
201.05501	5.4
203.03426	4.3
205.01396	1.3
207.02837	1.9
213.05495	1.7
213.09106	1.8
215.07071	4.6
217.04901	1.3
221.00873	1.8
223.02428	1.2
224.03133	2.4
229.08693	4.2
231.06531	1.5
231.10245	3.2
241.14479	2.2
243.06586	9.7
249.05658	1.4
255.06584	2.4
257.04456	1.9
257.08322	5.9
259.06100	12.4
267.06628	1.3
275.09244	6.9
283.06091	3.7
285.07605	5.4
287.05539	3.7
299.05554	2.3
301.07172	38.5
302.07462	3.4
311.05533	5.0
329.06638	100.0
330.06970	7.2
331.08124	11.9
341.06674	1.9
359.07672	37.8
360.07980	2.7
371.07642	1.9
389.17517	1.6
389.21832	3.1
431.09546	5.3
449.10776	66.3
449.20563	4.3
450.11392	6.1
450.17361	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	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
55.26254	0.4
57.03445	2.8
59.01378	9.5
61.98831	4.1
62.57772	0.3
64.17701	0.3
66.82824	0.4
68.99809	0.4
69.03463	0.4
69.16360	2.5
69.16791	1.3
71.01374	1.3
71.05023	0.9
71.09567	0.3
77.84822	0.4
81.03453	13.7
83.01385	2.7
85.02949	0.8
89.02436	0.7
93.03463	2.8
95.01386	0.8
95.05019	6.1
97.02935	3.7
99.04515	12.1
101.02440	1.3
107.05010	0.6
111.04496	2.0
113.02402	0.8
117.03459	11.2
117.04281	0.6
119.03522	0.7
123.04514	6.1
125.02441	31.1
126.02757	1.0
135.04526	1.3
137.02431	5.3
139.04019	3.4
147.04564	0.4
149.02402	0.8
151.04007	1.4
155.03531	0.7
158.03723	1.0
159.04494	1.9
161.02441	2.1
163.03987	0.6
165.01927	0.8
165.05461	0.4
167.03484	100.0
168.03836	2.9
173.04555	1.4
173.06104	1.0
174.06696	0.5
175.07747	0.6
179.03479	2.6
187.07631	4.8
188.08095	0.5
191.03842	0.5
191.05609	3.6
193.01350	1.3
197.04541	21.0
198.04771	0.9
202.06358	1.4
203.10738	1.0
207.02991	0.4
209.04500	1.9
215.07208	0.5
231.10217	2.1
235.02438	4.2
236.02786	0.4
257.08234	0.4
265.03476	0.9
269.06598	1.4
275.09253	11.7
276.09500	0.8
287.07758	8.2
329.06631	20.4
330.07025	1.7
336.52176	0.4
359.07687	3.8
360.08630	0.4
389.21869	1.6
431.09766	0.5
449.10620	1.4
449.15393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.5
63.02386	1.0
65.00314	2.5
69.28619	1.1
69.29023	3.5
70.34895	0.5
71.01349	0.7
81.02361	0.5
83.01377	1.8
85.02941	0.5
93.03471	0.9
96.96004	0.6
101.02465	0.7
106.16607	0.5
107.01398	3.8
108.02168	1.3
109.01849	0.6
109.02924	2.4
110.03319	0.8
110.67181	0.6
121.02943	3.6
122.03302	1.5
135.00868	1.4
147.04523	0.6
148.01660	1.0
149.01892	0.8
151.00369	12.4
152.00703	5.5
153.00821	3.9
159.04565	0.6
163.00363	2.7
164.00876	2.1
165.00816	1.1
178.99863	4.4
180.00186	4.0
181.00331	3.1
182.28566	0.5
183.04514	0.7
184.04718	0.6
185.05823	0.6
185.11798	3.9
199.03857	0.8
211.03943	1.0
213.04587	1.5
226.02698	0.7
227.03319	2.5
227.12955	0.6
228.03824	1.1
229.04144	1.1
241.04099	1.0
243.02948	5.5
244.03287	4.6
245.03352	5.2
246.04823	1.1
247.05052	1.5
254.02113	0.8
255.02957	11.8
256.03293	11.9
257.03519	15.7
258.04001	0.6
263.13818	0.6
271.02463	20.1
272.02808	20.9
273.03024	32.8
274.03635	2.5
284.03040	0.6
285.02991	2.4
300.02719	23.5
301.03250	48.6
302.03421	82.4
303.04028	51.9
304.04276	2.2
406.24829	0.6
449.09860	100.0
450.10040	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	449.0725
Annotation	Quercetin 4'-galactoside
Peak:m/z	Relative Intensity
54.07237	0.4
57.03443	0.6
57.10300	0.5
59.01379	25.4
60.01708	0.8
61.98832	19.5
66.36890	0.4
67.82065	0.4
69.40126	3.1
69.40524	1.0
71.01374	4.0
73.02926	1.5
73.29972	0.4
83.01389	1.9
85.02943	3.0
87.00873	1.0
87.04514	1.0
89.02451	2.7
93.03436	1.3
95.01397	0.6
98.20731	0.7
101.02459	3.6
109.02935	0.7
113.02440	1.4
119.03468	1.0
125.02480	0.7
134.03685	0.7
137.02432	1.8
141.00142	0.9
145.02991	0.5
151.03995	1.4
159.04422	0.7
161.04588	0.6
163.04030	0.8
173.02402	0.5
173.04568	2.7
173.05852	0.7
174.03200	0.5
175.03870	0.8
183.04463	0.5
185.02428	1.0
185.06149	0.5
186.03134	1.1
187.03992	1.6
189.01906	1.2
190.02588	0.7
191.03679	0.7
191.05585	6.7
199.04013	0.7
200.04800	1.2
201.01891	1.3
201.05603	1.0
201.11295	0.7
202.06297	0.6
203.03529	1.5
204.04288	0.8
205.05008	0.6
211.03947	0.6
213.01924	1.1
213.05545	1.1
213.09204	0.9
213.11754	0.5
214.02631	1.3
215.03529	3.4
216.04141	1.0
225.02019	0.7
225.15004	0.8
226.99907	0.8
227.03490	0.8
227.12827	1.9
228.04211	2.1
229.01295	1.3
229.04984	2.0
230.02237	1.0
231.02991	0.9
231.10162	0.9
233.04541	1.0
239.03659	0.6
241.01443	3.1
243.03014	3.4
244.03613	1.4
245.00960	0.8
245.04414	1.1
255.03027	1.4
256.03836	0.6
257.00882	1.2
257.04611	3.3
257.08347	0.9
258.01733	4.0
259.02298	1.9
269.00928	1.9
269.03970	0.4
269.14075	0.8
270.98819	0.7
271.02457	1.7
272.03256	5.9
273.03979	2.3
275.09167	0.8
285.00433	3.0
285.04044	9.2
286.01123	1.8
286.04254	0.9
287.01990	8.8
287.09232	1.9
287.14996	4.6
288.02670	2.4
289.03455	1.7
299.01834	2.8
300.02692	11.5
301.03500	13.4
302.03909	1.2
311.02090	1.1
312.99887	1.7
313.03409	0.6
315.05240	0.9
328.01880	0.8
329.03012	49.8
329.15884	1.0
330.03384	4.7
331.04550	1.2
347.07352	0.6
347.13150	0.5
347.16943	0.6
359.04074	13.1
360.04471	0.8
388.20346	0.8
389.21274	0.9
418.64670	0.5
449.07224	100.0
449.19104	2.2
450.07529	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	448.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.5
61.98830	100.0
67.01911	1.1
71.54414	1.1
77.85338	1.0
78.95910	5.0
87.00869	1.2
93.03479	6.0
101.64513	1.3
115.76525	1.0
116.92867	3.1
126.72856	1.2
133.02995	1.8
134.03630	1.0
152.99594	9.2
173.04565	7.8
191.05618	3.7
225.45966	1.2
255.02890	1.5
256.03287	2.3
272.02695	2.4
275.09274	3.2
285.03876	2.1
286.04333	1.2
298.04462	1.7
300.02798	2.1
301.03134	7.1
302.03818	3.7
328.05359	7.6
358.06534	4.0
448.09683	15.9
449.14670	2.7
449.22974	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.6
59.80629	0.4
60.01690	0.5
60.53714	0.3
60.99317	0.4
61.78357	0.3
61.98831	100.0
67.01889	1.0
69.03464	0.8
69.36298	2.1
69.36704	0.6
71.01380	2.2
73.02941	0.5
81.03481	0.5
85.02949	3.0
87.00877	1.7
89.02458	0.6
93.03463	9.2
99.23849	0.3
101.02460	1.1
109.02899	0.5
111.04544	0.8
113.02472	0.7
127.04040	0.5
133.02956	0.3
137.02460	0.7
155.03523	0.5
158.03764	0.6
159.04559	0.7
161.04573	0.5
164.36171	0.3
172.05341	0.4
173.04549	10.2
173.05983	0.4
174.06969	0.3
179.05655	0.4
187.07642	3.5
188.00862	0.3
191.05614	32.9
202.06378	0.9
203.10832	0.6
213.09224	1.2
215.07153	0.9
231.10289	1.5
257.08246	4.6
275.09204	4.9
275.11887	0.4
298.04523	0.3
300.06171	0.4
327.05289	0.8
328.05417	1.9
358.06537	0.8
388.20599	1.3
389.21890	1.2
448.09497	1.8
449.14706	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01379	8.9
60.01723	0.4
61.01790	0.3
61.98829	100.0
66.96481	0.2
69.42777	1.1
71.01378	1.4
73.02962	0.8
76.51141	0.2
83.01401	0.5
85.02946	1.0
89.02447	1.0
95.01417	0.2
95.84510	0.2
96.96037	0.2
98.20756	0.2
101.02432	1.3
107.01381	0.2
111.00909	0.2
113.02474	0.6
117.03374	0.2
119.03545	0.3
125.02444	2.8
129.01936	0.3
129.28764	0.2
135.04524	0.2
137.02446	0.2
151.00404	0.6
153.01981	0.2
161.02400	0.3
161.04611	0.4
178.99863	0.3
183.10277	1.3
205.03622	0.2
223.04636	0.4
226.10445	0.2
243.06731	0.3
259.06082	2.4
269.04514	2.2
275.09467	0.2
283.10513	0.6
287.05566	1.8
329.16135	0.2
358.55042	0.2
406.22043	0.3
448.22757	0.3
449.11066	2.7
449.20505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70631	0.1
57.03442	0.4
59.01378	10.6
60.01707	0.7
61.01788	0.1
61.98828	100.0
62.98528	0.1
67.01880	0.1
67.68627	0.1
69.28352	0.4
69.28777	0.5
71.01383	1.5
72.01716	0.1
73.02939	0.6
81.03495	0.2
83.01389	0.4
83.05037	0.2
85.02971	0.5
87.00868	0.2
88.98795	0.1
89.02435	1.0
90.02795	0.2
93.03464	0.7
95.01400	0.1
98.20706	0.3
99.04463	0.1
101.02440	1.0
111.04537	0.3
113.02461	0.5
117.03483	0.1
119.03505	0.5
125.02443	1.6
127.04077	0.1
135.04472	0.2
137.02478	0.2
146.03674	0.2
147.04501	0.1
151.00374	0.5
153.01936	0.2
155.03503	0.3
158.03752	0.6
159.04491	1.2
161.04573	0.6
162.11142	0.1
165.01884	0.3
167.03532	0.4
168.67044	0.1
172.05341	0.4
173.04572	1.0
173.06117	1.0
174.06906	0.4
175.07677	0.3
178.99866	0.2
179.03529	0.1
179.05669	0.4
180.05798	0.1
181.06107	0.1
187.04167	0.3
187.07648	3.6
188.08438	0.1
191.05614	2.5
201.05598	0.2
202.06413	0.7
203.10709	0.8
203.38016	0.1
213.09244	0.2
215.07138	0.3
231.10228	1.4
248.03740	0.2
257.08286	0.3
259.06088	1.0
269.04565	1.1
275.09241	9.1
287.05515	0.8
316.75827	0.1
329.06467	0.2
389.21924	0.7
406.21695	0.2
448.22156	0.1
449.10580	0.7
449.14944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.0
61.98825	2.5
70.62717	0.9
71.23343	1.2
71.23672	1.1
78.95906	2.5
110.98534	1.2
141.67957	1.0
152.99585	1.4
161.04494	1.0
167.01122	1.0
168.36798	0.8
176.96498	0.9
193.07150	2.4
253.21725	100.0
254.22121	4.6
255.03024	2.1
271.02380	3.2
279.23291	17.7
285.03995	0.9
285.59570	1.2
300.02786	4.4
301.03467	3.5
368.16937	0.9
447.09222	5.2
447.25153	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	448.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13718	0.6
54.45053	0.7
59.01372	1.9
61.98828	100.0
69.25469	0.9
71.01395	0.7
71.54301	0.8
78.95877	0.8
79.58750	0.8
93.03477	3.0
111.04576	1.1
114.86350	0.8
141.29120	0.7
151.00349	1.0
152.00787	1.0
160.01772	0.7
173.04558	4.4
191.05675	2.3
243.02823	0.7
251.20250	0.8
256.03241	1.1
267.31949	0.9
272.02908	2.9
275.09412	1.7
285.03860	2.4
286.04514	2.3
298.04620	1.8
299.05344	1.2
300.02704	2.0
300.05933	1.8
301.03217	7.0
302.03693	4.7
327.05020	1.6
328.05460	5.7
329.54199	0.8
358.06567	3.6
407.39191	0.9
448.09622	11.0
449.09174	1.0
449.14691	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2751
Annotation	Xenortide B
Peak:m/z	Relative Intensity
51.75738	0.4
57.03438	0.6
59.01363	1.1
60.23136	0.5
61.98811	0.6
67.01857	0.5
69.64717	1.3
69.65129	1.8
78.95891	4.0
107.04975	0.6
109.02907	0.6
110.98508	1.8
111.04502	3.1
123.04527	1.1
123.08139	0.7
125.02427	0.5
133.02924	1.8
151.00322	1.5
151.03990	6.4
163.00374	0.5
165.01898	0.4
167.01120	1.2
177.01840	1.3
177.09235	1.0
178.99817	1.1
179.03474	0.8
180.04280	0.7
185.02171	2.7
193.08656	0.9
203.07196	3.5
207.06644	5.5
208.07352	2.0
209.08131	2.1
221.08168	96.4
222.08769	9.5
227.03497	0.6
235.09747	1.7
243.03024	0.7
245.04335	0.5
255.02914	2.5
271.02481	4.7
279.23273	80.7
280.23608	6.8
284.03311	2.0
285.03955	3.5
293.35522	0.5
297.03967	2.1
298.04749	1.3
299.05649	1.7
300.02722	7.9
301.03448	5.8
301.14258	0.7
319.15518	6.0
320.15979	0.8
321.16998	1.1
327.05081	8.3
328.05243	0.7
339.05167	1.1
357.05991	3.4
378.20325	3.8
403.28317	0.5
414.09433	0.5
440.06100	0.5
447.09424	12.7
447.27536	100.0
448.09537	1.4
448.27914	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	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
57.03445	1.0
59.01381	100.0
59.45546	0.3
60.01736	0.8
61.57589	0.4
61.98827	9.1
64.12182	0.4
71.01386	7.3
71.02586	0.6
71.02924	0.7
72.99305	0.4
73.02947	2.7
73.17197	0.4
76.54494	0.4
78.95949	0.4
83.01405	2.0
84.77084	0.3
85.02956	3.9
87.00896	0.8
87.04537	1.3
89.02437	3.2
93.03457	3.9
93.07090	0.8
96.96032	1.3
96.96970	0.5
99.00926	1.1
101.02450	5.6
113.02435	3.3
119.03490	1.0
134.38667	0.3
137.02444	8.3
143.03520	0.7
147.42691	0.4
159.02931	0.7
161.04552	3.8
167.03415	0.5
179.05708	0.6
205.03516	0.4
225.11368	1.2
225.14900	2.7
245.69043	0.3
387.20248	19.3
388.20868	1.6
405.17044	0.6
405.21695	0.9
406.21863	0.4
447.18515	2.7
450.82004	0.4
469.36652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32830	0.2
57.26539	0.2
59.01374	0.4
69.17943	1.5
69.18376	1.0
78.95905	4.4
81.80852	0.3
85.23799	0.2
101.93881	0.3
110.98536	3.8
167.01109	1.6
185.02168	3.6
185.60915	0.3
208.80855	0.3
261.22260	0.5
271.02429	0.4
279.23273	100.0
280.23618	7.6
300.02722	0.7
301.03424	0.4
327.05020	0.4
391.05807	0.3
447.09198	0.5
447.25146	8.0
448.25519	1.1
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
55.01881	0.9
57.03439	1.3
58.00601	1.0
59.01380	100.0
60.01707	0.7
61.98833	6.8
66.03595	0.6
68.25872	0.6
69.47060	4.6
71.01385	9.4
73.02944	3.8
83.01395	2.1
85.02948	6.4
87.00907	0.8
88.98806	2.5
89.02445	6.0
95.01383	0.9
98.19930	1.2
99.00928	1.0
99.28638	0.7
101.02435	9.3
105.74911	0.6
113.02435	4.4
119.03533	1.9
123.04501	0.7
124.01662	0.7
129.01993	0.9
137.02563	0.7
143.03600	0.7
149.84125	0.6
158.29214	0.6
159.03159	0.8
161.04562	3.1
179.05653	1.9
195.06618	1.5
225.11264	3.0
225.14925	3.5
243.16071	1.3
282.35263	0.6
283.02441	0.6
298.49023	0.7
387.16165	0.8
387.20361	8.7
388.20587	0.9
405.21289	49.9
406.21802	3.9
447.09406	2.0
447.22778	20.1
448.23013	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94366	0.4
57.03452	0.5
58.00605	1.2
59.01379	64.5
60.01706	1.0
61.39573	0.4
61.75229	0.4
61.98835	2.3
63.02401	1.0
65.00343	0.5
69.57920	0.5
70.05591	0.7
70.05949	1.7
71.01380	19.5
72.99315	1.0
73.02950	1.3
73.04532	0.4
79.91955	0.4
83.01400	1.9
85.02952	4.8
86.62048	0.4
87.00878	2.0
89.02441	26.4
91.95045	0.4
93.03493	0.5
95.01407	0.9
98.20695	0.4
101.02442	10.5
107.01398	1.8
109.02975	0.8
113.02445	8.6
113.06067	0.5
119.03506	10.1
121.02974	0.9
123.04527	0.5
131.03503	1.2
133.02945	4.2
134.03729	0.7
137.06053	0.5
137.09738	0.5
139.04056	0.5
143.03514	3.1
149.02425	1.2
149.04509	0.8
151.00362	4.7
155.10738	1.0
161.02496	0.5
161.04550	5.6
175.04019	1.6
179.05605	10.5
180.06111	0.4
181.05026	0.7
189.12819	1.3
191.01968	0.5
191.05606	0.6
198.03351	0.6
199.04027	1.7
200.04642	0.7
201.01855	0.6
211.03940	0.9
217.05026	0.8
221.06764	0.6
225.14980	0.4
227.03510	1.8
237.13232	0.7
240.04340	0.5
255.03050	1.3
256.03775	4.3
283.02448	0.7
284.03247	56.4
285.04013	100.0
286.04343	5.7
289.21445	0.5
297.04068	0.7
297.19073	0.5
299.16785	2.3
327.05099	1.8
343.15381	0.4
357.06375	0.6
359.19006	1.1
387.15869	0.7
387.20630	3.7
447.09290	74.2
447.19910	12.2
448.09534	6.5
448.21021	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69727	0.5
59.01377	100.0
60.01707	0.5
61.98832	6.7
65.48740	0.4
68.21863	0.5
69.20290	1.1
69.20706	3.0
71.01385	6.3
73.02953	1.1
85.02956	2.0
89.02441	7.0
95.64948	0.5
99.00832	0.5
101.02438	5.0
108.62113	0.5
108.62932	0.4
113.02456	2.8
119.03527	2.3
126.18443	0.4
128.99388	0.4
143.03487	0.8
158.64447	0.5
161.04576	3.2
179.05661	2.0
189.12862	1.1
191.05676	0.8
207.02985	0.5
207.14023	0.5
231.40193	0.4
381.59882	0.5
387.20248	6.5
388.20694	0.9
405.21246	3.3
447.09152	0.6
447.22470	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	447.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.2
61.98823	2.3
72.91314	0.5
78.95903	55.8
89.63606	0.6
96.96952	5.5
105.37476	0.5
150.97998	1.8
151.00357	1.2
152.99583	100.0
153.99915	1.8
163.00403	0.7
171.00632	5.0
180.38904	0.5
187.90361	0.6
215.52518	0.5
227.03616	1.4
243.02975	0.7
255.02919	2.8
271.02420	3.9
279.30518	0.5
284.03265	1.9
293.21350	0.8
294.43576	0.6
300.02795	7.2
301.03519	5.6
302.68134	0.5
311.22195	0.6
316.96075	0.7
327.05212	0.6
360.65131	0.6
367.57065	0.6
447.08823	7.6
447.21490	16.6
448.21747	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54080	1.0
57.03443	2.5
59.01376	44.8
61.98838	6.8
65.00340	1.1
69.59438	4.2
69.59881	4.0
71.01380	18.7
72.99297	1.8
73.02947	8.4
76.69279	1.1
83.01389	3.8
85.02942	12.9
87.00873	2.5
87.04519	1.9
89.02444	5.1
97.02915	1.3
99.00900	1.3
101.02451	16.0
106.83690	1.3
107.01395	2.7
113.02468	5.9
119.03529	2.0
121.02953	3.1
123.04591	1.4
125.02428	2.3
131.03526	2.8
135.04536	1.4
137.02452	1.4
137.09731	36.4
138.10114	1.6
151.00346	7.6
155.10779	100.0
156.11127	4.9
161.04604	2.4
163.00383	2.9
164.51711	1.1
167.03406	1.2
178.02431	1.3
178.99875	3.3
179.10777	1.4
181.08720	14.8
181.12315	2.8
199.09752	70.4
200.10078	2.1
211.03955	1.5
223.06184	1.3
223.17029	1.8
226.02617	1.3
227.03412	6.5
239.03392	1.2
241.10776	18.4
243.02979	4.9
255.02994	16.6
256.03656	2.3
267.15952	1.7
271.02460	25.0
271.11896	4.1
272.02850	1.6
283.02319	1.6
284.03345	4.4
285.03879	2.2
289.89401	1.2
295.02332	8.6
296.03217	2.2
300.02722	40.4
301.03503	34.4
301.12967	13.6
302.03937	3.2
323.01920	2.1
327.05148	1.7
343.17908	5.5
361.14844	3.9
361.18619	12.5
403.19702	45.2
404.20059	4.3
447.08960	41.7
447.18726	40.7
448.09183	3.1
448.19110	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	447.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.7
59.01381	49.0
61.06731	1.5
61.98829	6.5
62.41328	1.5
69.03451	1.4
69.31406	6.4
69.31808	4.3
71.01379	24.8
71.05013	1.3
73.02955	9.4
81.81221	1.4
83.01382	3.2
85.02943	13.9
85.82701	1.3
87.00889	5.6
89.02457	4.5
91.01958	1.3
91.53662	1.3
93.03456	2.0
98.19933	2.9
101.02450	9.4
107.01358	3.0
109.02934	3.5
113.02454	4.5
119.03521	1.7
121.03015	1.7
129.01920	1.3
135.04469	2.2
139.03993	1.9
142.44153	1.4
151.00371	8.9
155.10777	3.9
159.20808	1.4
161.04578	1.5
163.00349	1.9
172.22624	1.5
178.99867	4.8
181.12343	3.2
191.05612	25.1
199.13412	17.3
203.03371	1.8
211.03992	1.8
227.03413	3.8
229.08716	11.0
230.08997	1.7
240.04181	2.6
243.02888	4.1
255.02939	14.8
255.06606	23.0
256.07123	1.8
271.02441	22.5
272.03137	3.7
273.07608	1.6
283.02551	2.1
284.03210	3.3
285.03882	3.4
299.16760	1.7
300.02722	35.9
301.03452	32.1
302.03906	2.6
327.05042	2.2
338.37717	1.6
343.17609	18.7
344.17828	3.2
361.14075	2.0
361.18637	42.6
362.19135	3.4
403.19705	100.0
404.19952	9.4
447.09235	27.4
447.13736	9.1
447.22003	6.1
448.13785	2.1
452.09503	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01702	1.1
61.98832	2.7
65.00345	0.6
69.86404	2.1
71.01384	1.0
83.01386	1.0
84.07558	0.5
85.02977	0.9
89.02449	0.7
93.03474	1.2
99.00907	0.6
101.02445	0.6
109.02959	0.9
119.01394	2.6
121.02966	3.2
123.04479	0.8
135.04495	0.6
137.02452	4.9
139.00406	0.5
143.05026	1.4
145.02916	0.6
147.04536	0.6
149.02414	2.0
151.00398	4.0
159.04541	0.5
161.06035	1.1
163.00346	0.7
165.64224	0.6
173.06015	0.6
175.03990	0.7
178.20157	0.5
178.99857	2.1
227.03488	2.0
228.04073	0.5
233.04507	1.2
243.02927	1.3
243.06670	0.9
245.04404	1.2
255.02994	8.0
256.03543	0.8
271.02463	11.2
272.02805	1.0
284.03296	2.4
285.04062	1.4
299.01962	0.6
300.02753	19.4
301.03513	15.1
302.03772	0.6
314.04724	0.6
315.05002	1.2
327.05148	0.9
357.06183	0.6
387.14520	8.8
411.49402	0.6
436.29468	0.5
447.09125	19.8
447.23914	0.6
448.09375	1.2
465.03802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59381	0.3
60.85655	0.4
61.98833	0.8
62.78334	0.3
62.96409	1.1
71.01405	0.4
71.54236	0.3
71.54668	0.4
73.09393	0.3
78.08057	0.3
78.95905	36.1
96.96965	2.4
105.42598	0.3
109.02962	2.2
121.02956	1.3
122.03731	2.1
123.00864	1.9
123.04514	0.4
124.01665	1.4
133.02972	0.7
136.01656	3.8
137.02457	3.7
138.03209	0.9
144.22156	0.4
149.00096	17.2
150.00417	0.5
150.03244	0.3
151.00427	0.9
151.04012	6.7
158.92532	1.7
161.02428	0.7
162.03210	2.5
163.04016	5.7
165.14948	0.3
175.03969	1.7
176.04697	0.4
177.05562	2.3
179.01175	2.2
179.03450	2.6
180.04298	0.8
191.03175	0.4
193.05060	1.3
205.15985	1.2
240.96686	0.6
254.95955	0.4
255.03050	1.0
256.07440	0.5
271.02554	1.4
284.03247	0.9
285.04080	1.2
297.04120	0.9
298.04724	0.8
299.05621	1.1
300.02759	2.9
301.03461	2.2
327.05112	4.4
327.08798	0.4
342.11060	11.7
343.11661	1.5
347.08228	0.6
357.06107	1.6
411.18100	22.2
412.18341	2.2
417.12405	0.8
431.10327	2.2
447.13495	100.0
448.08328	0.5
448.13852	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	447.1295
Annotation	5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone
Peak:m/z	Relative Intensity
54.55467	0.5
55.01872	0.5
57.03428	0.8
59.01379	16.9
60.01729	0.5
60.86732	0.4
60.99286	0.5
61.05235	0.4
61.98536	0.5
61.98831	6.9
67.01881	2.2
67.54416	0.4
69.03447	0.6
71.01381	5.7
71.54408	0.8
73.02960	2.3
75.00860	0.5
81.03445	0.8
83.01378	0.7
83.05009	0.8
85.02462	0.8
85.02953	13.6
87.00875	5.0
88.98784	0.9
89.02438	3.9
93.03461	13.1
99.00874	1.3
99.04497	0.6
99.92569	1.8
101.02440	2.5
109.02900	0.9
111.00887	0.5
111.04515	2.9
113.02417	1.7
116.92860	26.7
117.01946	2.9
117.92873	1.2
118.98070	1.2
119.03515	0.7
123.04478	0.4
125.02418	1.8
127.04010	3.5
131.03468	0.5
137.02484	0.7
143.03532	0.5
151.00418	0.4
154.00922	1.0
161.04521	0.8
167.01657	0.5
167.03493	2.1
171.02950	1.1
172.05296	2.8
173.04539	3.7
173.06029	1.9
179.05670	0.4
191.05606	100.0
192.05939	3.5
198.09718	0.4
204.04303	0.7
211.07701	0.8
216.04254	1.0
217.04916	0.5
229.08684	12.0
230.09029	1.3
233.06558	0.6
248.03221	0.6
255.06612	0.6
256.93201	0.5
267.91354	0.4
273.07675	53.9
274.08002	3.8
282.05405	0.6
285.04199	0.8
293.08777	2.5
300.02768	0.8
301.03601	0.6
317.07153	1.1
327.05005	2.1
357.06082	1.0
382.75204	0.5
387.12982	0.7
387.20273	1.0
405.21307	3.9
447.13129	32.6
447.22675	1.8
448.13367	2.9
474.49728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.4
59.01641	0.4
61.98856	1.3
65.00359	1.3
69.20266	0.4
71.01400	0.4
71.55205	0.6
80.02692	0.8
83.01401	0.8
85.02972	0.5
91.01891	13.0
91.50903	0.4
93.03459	13.5
93.04011	0.8
95.01413	0.8
105.03530	0.4
107.01360	2.1
107.05056	0.6
108.02170	19.1
109.02964	6.1
119.05067	0.5
121.02953	3.4
123.00887	5.3
123.04526	1.0
124.01644	0.9
125.02478	0.7
131.45871	0.4
133.02948	4.3
134.47104	0.4
135.00877	15.5
135.04529	0.6
137.02441	33.7
138.02792	0.4
147.04482	0.5
148.01695	0.5
149.02446	1.4
151.00349	6.4
152.01149	15.9
152.73634	0.4
153.01909	0.5
159.04526	0.4
163.00374	2.7
163.04053	0.8
164.01076	0.5
165.01895	0.7
173.06003	0.6
175.03998	1.3
177.01947	0.6
178.99852	3.4
191.03899	0.4
191.05573	2.1
193.01398	0.6
195.17508	0.4
197.06111	1.7
199.03983	1.0
199.07709	0.4
201.01859	0.8
203.03479	0.6
211.04080	0.8
213.05576	1.7
215.07083	1.0
217.04880	0.5
225.05542	0.5
226.02960	0.5
227.03412	1.9
229.04965	0.6
240.04410	0.6
241.04984	0.5
243.03136	3.1
243.06595	100.0
244.06941	6.6
245.04485	1.1
254.02060	0.6
255.02975	11.6
256.03442	1.0
269.04388	0.6
271.02469	20.3
271.05432	1.0
272.02765	1.6
273.04001	0.9
283.02423	1.1
284.03241	7.3
285.03970	10.4
286.04419	0.7
295.02573	0.9
297.03983	5.7
298.04745	3.8
299.02380	0.6
299.05548	7.0
300.02734	31.3
301.03491	25.7
302.03931	1.6
311.05560	1.3
327.05069	26.0
328.05319	2.3
339.05008	1.7
357.06146	14.4
358.06143	0.8
369.05859	0.6
380.61157	0.5
387.10794	1.0
429.08243	1.9
447.09116	50.5
447.26044	1.4
448.09412	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	447.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.4
56.07690	0.4
57.03437	1.1
59.01382	18.4
61.98834	15.0
65.41145	0.4
69.51020	1.5
69.51434	1.4
71.01382	5.6
73.02962	2.1
75.00870	1.3
76.40331	0.5
80.64932	0.4
83.01399	1.0
84.02148	0.6
85.02950	3.0
87.00192	0.4
87.00881	1.3
87.04527	4.7
89.02443	4.5
93.03463	44.8
93.07093	1.7
94.03786	0.6
95.01376	0.5
96.96029	0.5
98.19997	0.8
101.02454	3.8
105.29175	0.4
113.02462	1.6
119.03524	1.8
120.64098	0.4
121.02955	0.7
126.44289	0.4
131.28294	0.4
137.02452	100.0
138.02805	3.2
141.55095	0.4
143.03577	0.5
161.04546	1.3
179.05626	1.1
205.03459	0.5
225.11377	2.5
225.14960	3.6
243.12416	0.9
249.04227	0.5
253.07819	0.4
267.05157	0.8
269.10327	0.6
295.47778	0.4
309.08386	1.5
387.09570	0.6
387.16559	1.5
387.20255	1.9
401.14508	2.3
405.17606	1.3
447.12732	0.8
447.18796	7.2
448.19122	0.8
455.43576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02956	0.5
56.22571	0.5
59.01377	7.7
61.98819	1.5
63.02364	0.7
65.00320	1.3
69.24088	1.0
69.24488	4.5
71.01383	1.1
73.02952	0.8
83.01366	1.6
85.02945	0.6
93.03462	1.0
101.02449	0.6
107.01379	4.3
108.02187	1.0
109.02940	3.6
114.24930	0.6
119.05049	0.6
120.15035	0.7
121.02912	3.3
125.02444	0.8
132.82220	0.6
133.02954	3.1
135.00833	0.7
147.04504	0.5
148.01698	1.4
149.02353	0.6
150.99194	1.1
151.00362	15.8
153.01910	0.6
153.53247	0.5
161.02505	0.7
163.00339	4.8
163.04155	0.7
164.01196	0.7
169.01463	0.6
171.04446	0.7
175.03975	1.0
178.99858	8.5
183.04541	0.9
187.04019	1.1
191.05600	3.2
198.03166	0.6
199.04053	1.2
201.05545	0.9
203.03487	1.2
211.04012	1.7
215.03409	0.7
218.13623	0.7
226.02690	2.0
227.03482	3.9
229.04977	1.4
242.02013	0.9
243.02960	15.1
244.03363	1.0
245.04562	2.0
253.05022	0.6
254.02222	2.5
255.02965	27.2
256.03430	2.4
257.04486	1.6
270.01727	1.5
271.02472	60.8
272.02936	4.9
273.03943	0.7
283.02466	2.3
284.03238	5.2
285.04016	11.1
286.04605	1.3
297.04089	4.2
298.04739	2.5
299.01974	2.4
299.05563	4.0
300.02722	89.1
301.03485	60.4
302.03830	5.4
314.04294	6.7
315.04938	0.7
327.05072	18.6
327.08960	0.9
328.05408	0.9
339.04977	1.3
341.07678	0.6
357.06119	9.3
358.06497	0.7
429.08124	0.8
447.09283	100.0
448.09637	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	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.7
65.53598	0.5
69.49465	0.4
69.50166	2.3
70.56978	0.5
83.01361	0.6
87.95502	0.5
94.86243	0.4
97.11144	0.5
98.19917	0.8
107.01387	1.0
112.54022	0.5
120.36398	0.5
133.02933	0.6
151.00346	2.4
163.00305	0.8
174.03290	0.8
174.56104	0.6
183.04480	0.9
187.03897	0.5
211.03984	0.9
227.03493	52.1
228.03897	3.7
229.04926	1.1
239.03606	0.7
255.02979	70.9
256.03555	10.8
257.04462	1.4
284.03250	68.1
285.03961	23.3
286.04352	1.1
310.31924	0.5
318.43643	0.5
327.05011	2.1
447.09283	100.0
448.09598	9.6
463.97183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01336	0.5
62.67400	0.5
63.02403	1.4
65.00333	2.2
69.74068	2.1
70.47670	0.5
77.09622	0.5
81.50424	0.5
83.01388	0.8
93.03465	0.5
107.01411	5.2
108.02171	1.5
109.02969	4.1
119.01403	0.8
119.96778	0.5
120.12627	0.5
121.02958	4.5
125.02393	0.7
135.00880	1.3
146.60669	0.5
148.01663	1.5
151.00380	18.4
151.01595	1.1
152.00677	0.6
163.00388	5.0
163.03960	0.5
164.01125	1.5
171.04471	0.5
172.25616	0.5
178.99869	10.3
180.00259	0.7
183.04524	1.2
185.06046	0.6
187.04048	1.1
198.33691	0.6
199.03969	1.1
201.05632	0.6
203.03499	1.0
211.03995	1.8
212.04553	0.5
215.03618	0.7
216.04126	0.6
226.02705	1.9
227.03444	4.0
228.04028	0.8
229.05023	1.7
243.03006	11.3
244.03424	0.8
245.04607	3.2
252.37431	0.6
254.02173	2.1
255.02991	32.0
256.03323	2.2
257.04510	0.6
271.02472	61.5
272.02942	5.1
273.03998	2.0
283.02414	3.0
299.02124	1.1
300.02747	100.0
301.03500	80.5
302.03925	6.4
447.09305	76.5
448.09595	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63427	0.4
57.03442	0.8
58.00581	1.2
59.01379	50.3
60.01730	0.5
61.98823	2.3
63.02408	1.4
64.59690	0.4
65.00336	0.5
66.47217	0.4
69.46123	2.9
71.01379	15.8
72.99293	0.8
73.02946	1.3
74.99049	0.4
83.01379	1.2
85.02953	4.4
87.00880	2.0
89.02445	21.2
95.01363	0.8
101.02441	9.5
105.03434	0.5
107.01413	2.6
113.02448	7.0
119.03495	8.2
123.04498	0.9
131.03445	0.9
133.02960	4.3
134.03735	1.3
139.04005	0.6
141.05547	0.5
143.03514	2.0
148.01648	0.6
149.02423	1.6
149.04492	0.8
150.45851	0.4
151.00351	4.4
155.10843	0.6
161.02458	0.7
161.04567	4.0
175.03995	1.6
177.28415	0.4
178.27858	0.5
179.05603	8.5
183.04442	0.4
183.06618	0.9
187.03998	0.7
189.12868	0.7
191.05528	0.5
198.03169	0.4
199.03992	1.8
199.09789	0.7
199.70111	0.4
200.04634	0.6
201.01981	0.6
211.04051	1.1
212.04768	0.4
213.05423	0.7
215.03383	0.4
217.05083	1.0
221.21321	0.4
225.14925	0.5
227.03484	1.7
237.13141	0.6
239.03452	0.7
243.03011	0.7
255.02974	1.3
256.03757	3.1
283.02530	1.0
284.03247	58.1
285.04016	100.0
286.04364	6.9
297.03909	0.8
299.16873	1.0
327.05106	1.5
359.19174	0.6
387.15900	0.8
387.17197	0.8
387.20654	3.7
388.20715	0.6
447.09296	67.5
447.20605	6.4
448.09567	6.4
448.20187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35781	0.2
55.01887	0.4
57.03440	0.9
59.01381	19.3
61.98832	3.0
65.00324	0.5
69.44105	0.6
69.44522	1.3
71.01382	4.6
72.99313	0.3
73.02958	1.4
77.03963	0.8
79.01906	1.0
81.03462	0.3
83.01394	1.2
85.02949	3.4
86.00072	0.2
87.00889	0.4
88.06168	0.2
89.02442	3.4
93.03462	0.5
95.01404	0.4
97.02966	0.9
99.00899	0.8
99.04523	0.4
101.02453	2.6
104.38688	0.3
105.03459	0.6
107.01387	0.9
109.00689	0.2
109.02959	3.0
109.58460	0.2
111.00882	0.8
113.02450	1.9
117.03555	0.3
119.03519	0.8
119.05049	0.8
121.02965	2.3
125.02491	1.4
129.01942	1.0
131.03473	0.4
132.02231	0.4
133.02954	14.4
134.03770	0.6
135.04530	2.0
136.01703	0.3
137.02467	0.7
139.04022	0.8
145.02956	0.7
147.04494	1.3
148.01662	0.3
149.02446	2.2
149.04543	0.8
151.00398	0.7
151.04033	0.7
153.01991	0.4
153.09210	0.3
159.02925	0.3
161.02490	1.7
161.04507	1.4
163.00400	2.3
163.04004	3.5
164.04745	0.5
165.01929	2.6
168.04308	0.5
171.04533	0.6
173.02402	0.6
175.03990	3.9
177.01945	1.0
179.03606	0.3
183.06615	0.6
185.06117	0.4
187.07576	0.3
190.02766	0.3
191.03606	1.8
191.05432	1.8
193.01425	1.1
197.06143	0.3
198.03189	0.4
199.04012	1.8
199.07716	0.3
201.01860	1.4
203.03496	0.9
205.03534	0.8
207.10133	0.5
211.03987	0.8
211.07608	0.4
212.04709	0.6
213.05563	1.1
215.03407	0.4
217.05106	0.6
223.04475	0.8
223.06360	0.4
223.65387	0.3
225.05580	1.1
225.11314	1.1
225.14941	0.7
226.02644	0.3
227.03531	1.0
227.07069	0.5
229.05011	0.7
231.06609	0.6
239.03612	0.4
240.04245	1.0
241.05127	1.2
242.02292	0.3
243.03001	0.5
253.05017	1.7
254.05678	0.4
255.03040	1.3
255.06656	0.9
256.03781	0.7
257.04428	0.3
267.12296	0.9
269.04559	1.4
270.05255	0.5
281.04510	0.7
283.02649	0.4
283.05978	0.3
284.00928	0.2
284.03271	9.3
285.04007	7.8
286.04532	0.8
297.04044	16.4
297.16840	0.4
298.04779	11.0
299.05591	20.7
300.05960	1.1
309.04114	1.1
311.05621	3.9
315.14777	0.6
324.02673	0.8
325.03568	0.9
327.05093	100.0
328.05457	8.3
339.05133	4.1
341.06561	0.9
357.06161	29.7
358.06467	2.5
369.06149	2.5
387.20496	1.6
393.06085	1.5
394.06018	0.3
399.07513	0.4
411.07404	0.3
429.08362	0.4
447.09290	30.0
447.18970	3.0
448.09741	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	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50078	0.6
59.01373	2.0
65.00307	0.7
66.16326	0.5
69.78104	2.9
71.47129	0.6
77.03936	0.9
84.95560	0.6
89.46505	0.6
93.83665	0.6
109.02954	2.0
117.03458	0.6
121.02940	1.5
125.02445	1.0
133.02953	15.0
135.04517	2.0
147.04459	1.0
149.02386	1.2
151.00337	1.0
151.18864	0.5
161.02411	1.6
163.00401	2.7
163.04018	2.2
165.01947	2.6
175.04022	3.5
177.01952	1.5
193.01366	0.8
197.06110	0.8
199.03957	2.0
201.01926	1.7
213.05400	1.1
225.05521	1.0
227.03284	0.7
229.05238	0.6
240.04184	0.7
241.05099	1.2
251.03525	0.6
253.05081	1.7
255.03026	0.9
255.06572	0.9
269.04480	2.0
284.03271	5.5
285.04044	17.7
286.04315	1.6
297.04044	23.3
298.04764	16.6
299.05576	30.5
300.05902	3.1
309.04092	1.6
309.52731	0.6
311.05588	6.9
320.13608	0.6
324.02667	1.2
325.03488	1.2
327.05075	100.0
328.05466	9.3
330.03717	0.9
339.05084	11.0
340.05432	1.2
341.06586	1.8
348.14517	0.6
355.04697	0.6
357.06137	56.3
358.06451	5.3
369.06296	2.6
381.06113	0.6
387.07126	1.3
393.06613	0.6
397.40378	0.6
399.07150	0.8
411.07355	1.0
429.08276	7.5
430.08353	0.7
447.09299	69.0
448.09674	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	447.0929
Annotation	6-C-Galactosylisoscutellarein
Peak:m/z	Relative Intensity
57.01342	1.0
59.01374	5.1
61.98824	4.9
70.28432	3.3
71.01384	1.4
73.20161	0.9
105.01924	3.9
107.01396	3.3
109.02910	2.3
121.02930	3.1
133.02943	6.6
135.04460	1.2
137.02405	1.2
147.02699	1.1
148.01707	1.0
151.00349	8.8
163.00394	2.1
163.04051	1.0
175.03958	1.6
178.99869	4.9
227.03514	3.1
243.02946	4.3
254.01909	1.4
255.02997	15.3
256.03363	2.0
271.02451	26.8
272.02979	2.5
284.03262	8.1
285.03992	14.8
286.04172	1.4
297.04028	9.4
298.04813	4.4
299.02377	1.7
299.05533	9.3
300.02722	52.8
301.03485	49.6
302.03873	4.3
311.05585	2.0
327.05084	44.1
327.09003	2.2
328.05487	1.9
339.05112	3.8
357.06189	20.8
358.05884	1.3
369.06189	1.1
429.08203	2.3
447.09280	100.0
448.09583	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.7
57.82895	0.5
59.01102	0.9
59.01376	9.6
60.99309	12.9
61.98825	2.2
71.01385	3.4
71.53936	0.7
73.02932	0.8
75.00892	0.5
76.37280	0.6
78.95909	1.6
81.03481	0.6
85.02948	3.2
87.00864	1.3
88.98809	100.0
89.02447	2.5
89.99162	1.2
93.03464	2.2
95.01385	0.8
96.96019	1.4
96.96993	1.4
101.02447	2.5
108.02179	1.7
109.02965	4.0
113.02419	1.3
118.98113	1.7
120.99653	2.8
122.02531	0.7
123.00903	1.0
123.04517	2.6
124.01677	1.8
125.02402	1.0
131.07155	1.2
135.04520	0.7
137.02455	6.6
137.06090	1.1
139.04037	1.7
151.04007	0.9
152.01083	0.8
153.01891	1.1
153.05571	0.6
161.04521	1.5
165.05542	0.8
167.03511	6.1
179.03479	0.8
191.05585	0.9
195.06590	1.1
203.05576	0.8
205.03462	0.7
285.03973	1.1
299.08035	0.7
314.09692	0.7
360.98169	0.9
402.98315	0.6
406.17249	0.6
447.10022	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	446.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91364	0.4
59.01373	4.8
61.98821	1.5
63.82723	0.4
69.85667	1.4
69.86089	0.8
78.95910	2.6
84.97086	0.4
87.94724	0.4
98.20716	0.6
123.67363	0.4
151.00352	1.1
151.11221	0.8
152.99579	6.0
169.12334	100.0
170.12660	3.7
174.80104	0.4
227.03505	0.7
255.03032	1.3
255.83058	0.5
271.02481	2.0
273.17276	0.5
285.03888	0.6
300.02811	3.4
301.03549	2.3
312.22604	0.5
343.04449	0.7
348.68210	0.5
348.80646	0.5
373.09369	0.5
447.09232	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	446.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30411	0.6
59.01381	12.6
60.01728	0.8
61.98829	100.0
62.53447	0.6
65.00277	0.8
66.48392	0.6
71.01383	7.5
72.31936	0.6
73.02954	1.9
83.01388	1.1
83.05008	0.8
85.02956	2.3
87.00893	1.1
88.35231	0.6
89.02452	5.1
93.03483	1.5
96.96027	1.7
99.00879	1.3
101.01879	0.6
101.02434	3.8
102.98575	0.8
107.01385	1.7
109.02959	1.6
113.02472	2.5
119.03543	1.3
119.05022	1.2
121.02981	2.0
125.02414	0.7
131.03543	0.8
133.02940	3.3
138.41988	0.7
149.04565	1.6
151.00357	5.3
161.04590	2.3
163.00430	2.4
163.03969	1.3
165.01941	0.8
175.03989	0.7
178.99916	1.9
191.03896	0.9
191.05544	3.6
199.04030	1.0
211.04085	1.5
211.13484	1.3
227.03523	2.1
229.18143	0.7
240.04317	0.8
243.03058	2.8
255.02977	8.4
265.20981	0.7
269.04678	0.9
270.04953	0.9
271.02472	13.5
273.07898	1.0
283.02658	1.1
284.03259	6.1
285.03992	8.9
295.02588	2.0
297.04013	4.6
297.54346	0.8
298.04776	3.2
299.02335	1.2
299.05493	5.3
300.02731	23.5
300.06070	1.3
301.03510	17.3
301.06848	0.9
309.03873	0.8
311.05762	1.3
313.03574	1.1
315.18219	2.6
327.05081	20.8
339.05310	1.4
357.06158	9.4
369.06287	1.0
429.08347	2.0
446.08539	2.0
447.09274	37.5
447.21927	7.2
453.48401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98831	2.5
70.68813	1.3
70.69135	1.2
91.04020	3.1
113.02423	1.1
175.36186	0.8
210.71378	0.9
211.13434	2.4
269.04507	2.2
293.21146	1.0
304.18842	0.9
311.22290	16.7
312.22833	1.3
432.96585	0.9
445.07706	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	445.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.76380	0.7
61.98829	2.8
85.07484	0.7
86.18172	0.7
89.02441	0.9
91.04015	5.0
96.96004	0.7
97.75097	0.7
98.19846	1.3
113.96645	0.7
197.11855	1.4
211.13464	1.8
256.74722	0.7
269.04587	1.7
285.69354	1.0
293.21164	1.8
299.02173	0.9
311.22247	20.1
312.22656	1.8
328.99002	0.7
445.07935	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37870	0.3
59.01369	1.4
71.02070	0.6
78.95907	6.2
84.55470	0.3
89.94224	0.3
100.80159	0.3
110.97832	0.5
110.98537	4.8
146.70609	0.3
149.26292	0.3
167.01122	3.0
185.02185	4.7
259.20612	0.4
275.19965	0.4
277.21707	100.0
278.22037	8.2
445.17407	0.5
445.23584	9.0
446.24152	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
63.33809	0.3
70.42591	0.3
71.01386	0.4
78.95903	6.4
80.51093	0.3
88.71656	0.3
98.20650	0.9
98.52793	0.3
99.90551	0.3
110.98548	4.8
110.99306	0.3
152.99615	0.3
156.42075	0.3
167.01151	2.8
185.02182	4.2
233.95370	0.4
241.46884	0.3
263.17075	0.3
277.21713	100.0
278.22073	8.0
286.96057	0.4
330.96402	0.3
438.25092	0.3
445.23544	9.2
446.23947	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
71.02520	0.5
71.02853	0.8
78.95901	19.5
81.05617	0.4
96.43983	0.4
104.97452	0.8
110.98530	12.5
137.00111	0.6
166.99727	0.9
167.01149	15.2
172.15334	0.4
173.73596	0.6
178.78963	0.5
184.59973	0.5
185.02182	3.8
207.76836	0.5
220.57761	0.6
231.24124	0.5
233.22664	0.7
259.20715	0.6
275.20120	0.8
277.21704	100.0
278.22046	8.2
294.95731	0.5
409.95453	0.6
445.23538	27.1
446.23953	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	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
57.03437	0.5
58.00591	1.2
59.01377	100.0
60.01704	1.0
61.98837	1.2
69.03458	0.4
70.75580	0.2
70.92138	0.3
70.92479	0.3
71.01379	21.4
72.99304	1.1
73.02959	1.0
75.77810	0.2
83.01396	0.6
85.02954	3.2
87.00867	1.7
89.02441	34.0
89.16455	0.2
90.02797	0.5
95.01390	1.1
97.02885	0.2
97.58504	0.2
99.00906	0.2
101.02436	10.5
102.02779	0.4
113.02446	8.9
114.02838	0.2
119.03496	13.4
121.02924	0.8
125.02404	0.4
131.03506	1.6
137.09760	0.2
143.03500	3.5
149.04568	1.3
153.09254	0.4
161.04556	4.3
179.05600	19.5
180.05885	0.3
181.08643	0.3
205.12421	0.3
209.11760	0.8
223.13330	0.6
241.14397	1.2
265.14203	0.3
385.18533	0.5
403.19254	0.3
445.20956	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01723	1.2
63.29617	0.5
65.00336	1.1
71.01375	5.2
73.02953	1.4
73.14931	0.4
83.01384	1.2
84.95974	0.4
85.02940	2.2
86.00093	2.2
87.00879	0.7
89.02435	3.2
93.03445	1.2
95.01395	0.4
99.00878	0.5
101.02441	3.4
107.01374	1.1
111.00879	0.6
113.02451	2.0
119.03474	1.6
119.05016	4.9
121.02959	0.7
125.02480	0.9
129.01939	0.6
133.02965	0.7
137.02403	1.1
141.09274	0.5
143.03439	0.8
143.05020	0.4
151.00340	2.6
153.01906	1.0
153.09100	0.4
158.03725	0.8
159.03061	0.6
161.02425	0.9
161.04579	2.9
163.04025	3.6
164.44951	0.4
165.09126	1.3
171.04503	0.6
172.01599	0.6
177.04021	0.4
178.99803	1.4
179.05545	1.1
186.03168	1.3
189.01849	0.9
195.04927	0.6
199.03983	1.8
209.11714	0.5
213.75363	0.4
214.02686	3.2
215.03464	1.1
223.09375	0.4
223.13304	0.8
227.03398	1.4
233.62842	0.4
241.01399	14.8
242.02126	5.0
243.02884	3.2
245.00925	7.0
246.01259	0.4
255.03001	2.1
269.98911	0.9
270.01672	13.3
271.02448	16.7
272.02982	1.0
281.06555	1.2
295.15427	1.0
297.04028	0.5
298.01132	7.2
299.01938	24.5
300.02643	3.6
301.03604	2.9
311.02029	0.6
341.03082	2.0
385.18512	1.0
417.07779	0.5
445.07474	20.6
445.21002	0.8
446.08118	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61025	0.3
55.01880	0.4
57.03450	1.0
58.00595	0.8
59.01381	100.0
59.15133	0.3
60.01712	1.0
61.13480	0.4
61.51956	0.3
61.98829	3.4
62.47172	0.3
69.50285	0.4
69.95018	1.8
71.01385	10.6
72.99313	0.8
73.02958	1.7
74.99039	0.3
83.01432	0.6
85.02950	2.9
87.00887	0.5
88.98822	1.2
89.02445	15.9
89.12449	0.3
90.06916	0.4
95.01400	0.4
96.96053	0.6
99.00893	0.4
101.02443	7.1
101.03111	0.5
107.05068	0.9
110.27073	0.3
113.02464	4.4
119.03509	7.1
131.03513	0.7
136.97450	0.4
143.03557	0.9
146.55440	0.4
149.04515	0.5
149.06239	0.5
161.04602	1.4
163.11324	0.8
179.05617	2.1
194.75826	0.4
195.05064	0.4
197.04514	0.9
205.12326	6.8
221.06609	0.4
223.13446	0.6
239.05540	0.7
269.04535	0.4
445.13638	0.4
445.21036	1.3
459.67877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25116	1.1
57.03766	0.8
59.01377	100.0
69.42301	6.1
70.68855	0.9
71.01377	16.8
72.99271	1.1
85.02956	2.1
87.00845	1.8
89.02443	31.7
95.01382	1.2
95.77060	0.9
98.19901	1.7
101.02442	10.1
102.61360	0.9
113.02439	8.3
119.03490	12.1
127.29139	0.9
131.03461	3.3
143.03470	3.4
149.04501	2.6
161.04541	3.1
179.05612	21.0
187.25223	1.0
231.66328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36594	0.4
55.01886	0.8
57.03449	2.3
58.00594	1.1
58.40059	0.5
59.01381	100.0
60.01744	0.9
61.98828	5.4
69.03477	0.5
69.45258	3.0
71.01382	15.6
72.99330	1.8
73.02937	2.4
74.99136	0.6
75.00888	0.9
83.01398	2.4
83.05029	0.7
85.02956	7.3
87.00902	1.6
89.02448	20.9
93.83960	0.4
95.01382	1.2
96.96030	1.2
97.02962	0.4
97.06637	0.6
99.00925	0.9
99.04506	1.0
101.02443	14.4
102.02794	0.8
108.02216	0.6
111.00868	1.0
111.04536	0.6
113.02440	7.1
119.03503	11.5
123.04583	0.6
125.02477	0.9
129.01906	0.9
131.03528	0.6
135.04527	1.2
136.99191	0.7
137.02490	0.6
143.03571	2.2
149.04611	0.7
161.04521	4.7
165.09268	1.0
167.03488	0.7
179.05615	9.4
179.07025	0.9
205.03479	0.9
205.12340	0.8
223.04556	0.7
223.13370	5.2
229.12575	0.5
235.13506	1.5
237.15048	1.5
247.13469	1.0
265.14395	4.0
269.04520	3.0
283.15656	0.6
324.14908	0.5
367.17902	1.1
385.19080	0.7
445.21454	3.8
446.21921	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.5
57.03453	0.9
58.00605	0.7
59.01378	100.0
60.01718	0.6
61.98829	0.7
71.01376	16.5
72.99307	1.7
73.02937	2.5
75.00873	0.7
81.03454	0.5
83.01403	1.8
85.02959	3.5
86.36159	0.6
87.00885	1.8
89.02444	22.5
95.01409	0.7
96.96012	0.8
98.03766	0.6
101.02439	15.0
113.02454	6.7
115.00359	0.7
119.03495	12.5
121.02963	0.9
123.59597	0.6
125.02460	1.6
131.03497	1.3
133.01454	1.4
137.09721	0.9
143.03502	1.4
149.04572	0.9
149.09747	1.1
151.00273	0.6
151.07773	0.6
153.01938	2.9
161.04591	2.8
163.04114	1.0
167.10791	0.7
175.29591	0.5
179.05602	10.0
180.06088	0.5
181.12357	1.5
191.10779	0.9
209.11848	1.3
219.13878	0.7
223.13367	5.3
229.04463	0.6
229.53131	0.7
235.13452	1.9
237.15034	0.6
247.13498	1.4
261.14069	0.6
265.14456	6.0
307.15491	0.7
355.59644	0.6
445.20959	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	445.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01719	0.8
61.98835	2.4
68.79841	0.6
70.48846	0.7
70.68620	2.0
78.95901	3.8
94.49201	0.6
108.45781	0.8
121.02983	1.2
133.50763	0.7
149.00084	5.5
205.15985	4.3
241.01550	0.8
269.04382	1.1
297.04257	0.9
355.16742	22.4
356.17325	1.8
385.17813	13.5
386.18176	1.8
390.12747	0.7
445.08047	2.9
445.20203	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	445.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01723	1.2
63.29617	0.5
65.00336	1.1
71.01375	5.2
73.02953	1.4
73.14931	0.4
83.01384	1.2
84.95974	0.4
85.02940	2.2
86.00093	2.2
87.00879	0.7
89.02435	3.2
93.03445	1.2
95.01395	0.4
99.00878	0.5
101.02441	3.4
107.01374	1.1
111.00879	0.6
113.02451	2.0
119.03474	1.6
119.05016	4.9
121.02959	0.7
125.02480	0.9
129.01939	0.6
133.02965	0.7
137.02403	1.1
141.09274	0.5
143.03439	0.8
143.05020	0.4
151.00340	2.6
153.01906	1.0
153.09100	0.4
158.03725	0.8
159.03061	0.6
161.02425	0.9
161.04579	2.9
163.04025	3.6
164.44951	0.4
165.09126	1.3
171.04503	0.6
172.01599	0.6
177.04021	0.4
178.99803	1.4
179.05545	1.1
186.03168	1.3
189.01849	0.9
195.04927	0.6
199.03983	1.8
209.11714	0.5
213.75363	0.4
214.02686	3.2
215.03464	1.1
223.09375	0.4
223.13304	0.8
227.03398	1.4
233.62842	0.4
241.01399	14.8
242.02126	5.0
243.02884	3.2
245.00925	7.0
246.01259	0.4
255.03001	2.1
269.98911	0.9
270.01672	13.3
271.02448	16.7
272.02982	1.0
281.06555	1.2
295.15427	1.0
297.04028	0.5
298.01132	7.2
299.01938	24.5
300.02643	3.6
301.03604	2.9
311.02029	0.6
341.03082	2.0
385.18512	1.0
417.07779	0.5
445.07474	20.6
445.21002	0.8
446.08118	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	445.1505
Annotation	Tiegusanin M
Peak:m/z	Relative Intensity
54.61313	0.4
57.03461	1.0
59.01384	14.1
61.98822	2.1
63.34185	0.4
69.03457	0.5
69.31659	0.4
69.45464	0.8
69.45873	2.3
71.01385	5.5
72.99303	0.7
73.02979	0.7
75.00871	3.9
83.01422	0.7
85.02956	4.0
87.00903	1.2
89.02449	2.3
93.03479	0.8
96.96033	0.6
97.02989	0.5
99.00904	1.3
101.02412	2.0
107.01379	0.5
109.02979	0.4
111.00905	1.7
113.02460	1.4
115.95554	0.5
117.03468	24.4
118.03801	1.1
119.03696	0.5
119.05030	12.4
121.02959	1.3
123.04504	0.8
125.02490	0.6
129.01952	2.1
131.03511	0.6
133.06598	0.8
135.04507	0.5
137.06081	0.6
145.02959	100.0
146.03310	3.8
149.06053	0.5
151.00322	1.6
153.01964	0.5
153.09230	1.0
159.02977	1.2
161.06088	1.6
161.09695	0.7
163.04015	12.3
167.03482	0.7
167.10689	0.5
169.16934	0.4
175.04112	0.5
177.04021	2.8
177.05472	0.7
178.99889	0.9
183.10295	1.1
187.11208	0.5
195.05048	4.3
197.08153	0.5
205.05013	1.8
217.04951	0.5
223.13310	1.3
227.03464	0.5
243.02953	0.7
255.02931	1.5
265.07111	1.0
267.12177	0.6
271.02460	3.4
299.02124	0.5
300.02728	4.5
301.03497	8.6
315.16418	0.5
325.07059	0.5
401.17856	0.8
427.16055	0.5
445.07825	2.4
445.15012	57.8
446.15225	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	445.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21910	1.2
58.96731	1.3
59.01382	100.0
61.98828	3.5
64.75018	1.2
69.16249	1.4
69.22604	13.1
71.01374	1.6
85.02956	1.5
89.02412	1.6
113.02429	1.7
121.02943	5.1
123.30664	1.4
130.27332	1.4
165.19443	1.7
187.03981	1.8
193.05075	1.8
202.06326	2.8
205.05028	1.9
209.11775	3.7
217.08672	2.1
220.07442	1.6
235.09744	5.4
269.04446	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	445.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36034	0.7
54.05299	0.7
59.01384	13.9
61.98834	2.3
61.99879	0.7
71.01395	3.5
73.02966	1.9
81.75123	0.7
85.02962	2.7
87.00863	1.7
89.02462	1.1
93.03461	4.2
101.02436	2.4
105.03434	1.6
112.47413	0.7
112.98552	1.1
113.02448	1.9
119.05032	33.0
131.03519	1.1
135.04494	1.3
137.02452	8.3
137.06102	1.5
138.03227	2.0
139.04010	2.4
144.62813	0.8
151.00386	1.8
153.09212	1.6
163.04001	15.7
163.05267	1.3
165.01796	1.3
165.05548	1.0
166.02711	27.1
167.03452	1.0
179.03543	1.6
181.05063	100.0
182.05380	3.3
183.10210	1.9
197.08191	1.2
221.28203	0.7
223.06197	1.0
255.02863	1.4
269.04596	1.1
271.02472	3.2
281.06656	12.7
299.01947	1.0
300.02640	4.2
301.03503	5.7
315.16458	1.0
343.19412	0.9
385.11456	3.6
393.02527	0.8
445.11780	13.3
445.20807	2.4
446.11639	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1354
Annotation	Paeonovicinoside
Peak:m/z	Relative Intensity
55.01870	2.1
57.03444	1.0
58.00583	2.7
58.52658	0.7
59.01379	100.0
60.01694	0.8
61.98830	23.5
69.03458	6.5
71.01381	69.1
71.05016	1.8
72.01725	0.9
72.99295	3.6
73.02943	10.1
75.00878	4.4
79.01850	1.1
81.03455	4.2
83.01385	3.5
85.02953	12.1
87.00868	3.3
89.02443	84.1
90.02762	1.7
91.01891	12.8
93.03455	12.4
95.01374	2.9
96.96000	2.2
97.02950	9.7
99.00878	13.6
99.04501	2.9
101.02442	16.2
107.05013	1.7
108.02213	1.0
111.00867	3.4
113.02448	10.1
115.04025	5.2
115.92105	0.9
119.01417	5.8
119.03490	3.7
121.02158	1.4
121.02964	16.4
123.00867	1.5
123.04527	1.4
125.02446	38.5
126.02821	0.9
127.03942	1.5
127.97987	0.8
129.01921	1.4
131.03502	11.2
135.02960	1.5
135.04558	1.6
136.01593	1.7
137.01646	0.8
137.02460	10.3
143.03499	3.7
149.02493	1.2
149.04570	12.0
151.04004	95.8
152.04352	4.0
158.41940	0.8
159.11754	1.1
161.04602	4.0
167.03464	2.1
173.04529	2.0
177.12924	1.1
179.03487	1.0
179.05626	1.5
191.05611	7.9
191.10399	0.8
203.10794	5.4
204.11133	1.0
209.04527	1.4
217.08255	1.0
221.06581	1.5
221.11821	3.1
223.04443	1.4
233.06645	33.2
247.09776	1.7
264.73572	0.7
265.10837	4.4
265.14243	0.8
266.71707	1.0
293.08777	27.8
294.09073	1.2
383.62241	0.8
385.14499	2.2
413.10864	1.5
445.21371	6.9
446.20813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42509	0.2
57.19982	0.2
58.64568	0.2
59.01352	0.3
61.98814	0.4
69.28932	0.4
69.29344	1.3
78.95906	0.2
80.52104	0.2
85.02942	0.3
85.97281	0.2
88.23024	0.2
95.56030	0.2
99.92584	32.0
100.92609	1.0
100.93360	4.5
102.05614	0.2
113.92673	0.2
115.92075	100.0
116.92086	3.8
116.92870	1.8
117.92522	0.4
131.91606	0.3
132.92294	1.1
141.93636	3.2
154.57385	0.2
163.00365	0.4
177.01921	3.6
185.02281	0.2
192.04272	4.9
207.06618	5.7
207.08528	0.3
219.94725	0.5
247.94131	1.9
248.94612	0.3
262.96497	3.9
262.99081	0.3
263.96732	0.4
269.04523	0.4
277.21732	5.1
277.98822	2.1
278.22180	0.3
278.99008	0.3
289.67969	0.2
307.99930	5.1
309.00250	0.4
425.76193	0.2
445.23816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50853	0.3
55.01870	0.5
59.01389	1.9
71.01377	3.6
72.01762	0.3
73.02942	0.8
78.33186	0.4
81.68871	0.3
83.01389	0.8
84.55957	0.4
85.02946	1.4
85.20641	0.4
86.30950	0.3
89.02432	0.4
93.03455	10.5
94.03723	0.3
95.01363	0.4
97.02943	0.3
99.00864	0.4
101.02438	2.6
113.02449	1.4
117.03453	0.3
119.05025	100.0
120.05370	2.5
121.02931	0.4
136.01683	0.8
137.02448	21.1
137.06033	0.4
138.02731	0.4
139.04025	0.5
147.04518	0.6
151.00403	0.4
163.04007	45.4
164.04335	1.8
166.02715	6.6
179.03539	0.9
181.05057	21.7
182.05380	1.2
196.64482	0.4
203.78511	0.3
207.26196	0.4
218.72662	0.4
221.04657	0.4
239.05624	0.7
251.95137	0.4
253.29092	0.4
271.02625	0.9
281.06650	32.0
282.06961	1.7
300.02731	0.8
301.03491	1.3
321.76108	0.4
357.49814	0.4
385.11218	0.6
401.12476	1.1
445.11432	34.6
446.11810	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	445.099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.8
59.01381	7.6
61.98827	10.3
67.13853	0.9
69.03432	1.2
71.01392	7.8
71.45766	2.2
72.99295	2.7
73.02944	2.7
75.00871	4.7
78.95916	6.0
81.03461	6.6
83.01377	12.7
85.02951	5.0
87.00872	1.6
88.98789	2.7
89.02444	2.9
93.03447	2.3
95.01381	2.3
95.05037	4.8
96.95985	1.8
96.96964	2.7
97.02942	4.8
99.00871	1.8
99.04522	3.6
101.02449	5.6
104.95561	1.0
106.37366	1.0
107.01392	5.3
109.02961	2.7
111.00866	2.0
111.04538	1.9
113.02448	4.0
115.00344	3.1
121.02958	2.1
123.03642	1.5
123.04522	16.5
125.02454	18.3
131.83734	1.3
135.04507	3.5
137.02426	7.1
137.06094	9.3
138.03339	1.3
139.03998	4.6
141.05563	1.2
147.04674	1.1
149.02420	3.4
149.06041	1.8
151.00362	2.9
151.04005	3.4
155.03555	2.2
159.04486	1.3
161.02399	2.6
161.04555	2.0
163.04056	4.1
165.01970	3.0
165.05557	3.2
167.03497	44.6
168.03828	1.3
177.01915	2.4
177.05527	2.7
179.03510	13.4
180.04034	1.4
181.05099	2.4
191.03485	3.7
191.05551	3.3
191.57433	1.1
193.01430	4.3
193.05090	5.7
195.02989	2.9
197.04620	5.5
203.03625	1.3
205.01457	3.9
205.05103	2.7
206.02187	3.2
207.02959	6.9
209.04561	53.9
210.05031	2.4
219.02995	4.2
220.03775	1.6
221.04549	13.2
223.02530	2.1
231.02866	1.4
233.04596	2.4
235.02496	26.2
237.04037	18.5
239.05621	29.6
248.03259	2.0
249.04019	18.7
250.04414	1.7
251.05623	5.8
261.03989	2.6
263.05542	1.6
264.99249	1.2
265.03531	17.9
266.03879	2.5
267.05084	13.2
277.03525	3.6
278.04010	1.2
279.05145	14.5
280.05603	1.3
291.05066	1.7
295.04559	7.4
297.06357	2.6
307.04645	9.6
309.06033	1.8
311.07745	1.6
325.05646	31.9
326.06042	2.9
329.08774	3.9
337.05722	5.4
355.06775	13.2
367.06589	1.4
369.08380	3.5
385.07831	12.1
387.97720	1.2
397.07593	2.1
399.09641	1.3
401.21643	2.4
415.08755	3.5
424.16776	1.1
427.08725	13.7
444.19727	1.3
445.09839	100.0
445.19791	6.4
446.10031	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
57.03440	2.4
58.00608	0.7
59.01379	87.8
60.01716	1.1
60.99311	14.1
61.09939	0.6
61.11431	0.6
61.98830	14.8
71.01383	15.6
71.05014	0.8
71.54876	0.6
71.55259	0.8
72.99304	1.2
73.02944	15.6
75.00874	3.3
79.03368	0.7
81.03453	2.1
83.01367	2.1
84.02172	2.3
85.02945	8.7
87.00857	3.4
88.98808	100.0
89.02441	11.6
89.99138	1.1
95.01366	1.5
96.96011	2.2
96.96976	1.1
97.02943	0.8
97.06585	0.8
99.00893	2.1
99.04515	1.6
101.02451	10.6
111.00861	1.0
113.02451	6.3
114.98514	0.7
115.53961	0.8
118.12431	0.7
119.03521	5.1
120.91412	0.6
121.02969	1.1
121.86047	0.7
123.04517	2.0
124.30750	0.7
125.02447	1.0
125.06095	0.8
129.01944	2.3
135.04478	0.9
135.92899	0.7
137.09720	6.5
143.03517	2.2
149.02484	1.8
159.02953	0.7
161.04555	7.0
166.02779	0.9
167.03490	1.5
179.05635	5.4
180.07956	0.9
181.05086	0.8
182.02199	1.1
191.05623	0.9
195.05115	8.6
195.13918	1.0
197.04335	0.8
197.08218	1.1
197.11885	1.0
205.12344	3.4
221.04669	0.9
221.06609	5.2
221.11847	0.9
223.13394	24.5
224.13716	0.9
239.16504	0.9
241.10982	1.1
265.14426	0.8
267.12363	1.3
283.11890	0.9
284.02164	1.3
306.13770	0.8
331.09274	1.6
359.10529	0.8
367.17798	1.1
385.14780	1.4
385.18729	24.1
386.18771	1.6
445.12106	1.2
445.20737	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0774
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
55.41119	0.5
57.03426	0.9
59.01373	6.2
61.98832	0.5
63.02390	1.8
65.00325	3.5
69.81349	2.7
71.01373	2.5
73.02935	2.0
83.01386	3.4
85.02938	2.7
85.66206	0.5
87.00861	0.6
87.04485	0.5
89.02441	3.3
93.03465	3.1
96.08061	0.4
101.02435	1.6
107.01377	6.2
109.02956	0.5
113.02412	0.7
117.03444	0.5
117.05568	1.7
119.03486	0.6
121.02953	1.1
123.39232	0.5
125.02438	7.7
130.08710	0.8
133.02959	1.2
134.03749	0.5
135.04480	1.1
137.02448	5.5
138.79382	0.5
139.07622	0.6
145.02945	3.6
147.04472	1.4
149.02454	1.2
151.00362	26.7
152.01064	1.0
153.01968	1.0
161.02440	6.9
162.03203	1.2
163.00343	0.6
163.03966	3.9
167.03484	0.7
169.01421	1.6
173.02411	0.7
174.03253	1.1
175.04051	2.4
177.01971	0.7
178.99863	13.0
179.03461	0.5
183.04449	0.7
183.10202	0.5
187.00388	0.9
187.04121	0.8
189.01933	3.3
190.02638	0.9
191.03467	2.6
192.00569	1.0
193.01353	1.0
193.05115	0.9
195.04575	0.5
197.06046	0.5
199.04054	1.1
201.01891	0.7
203.03502	2.8
211.04073	0.9
217.01343	1.0
221.04536	1.0
225.05621	0.6
227.03528	2.2
229.05164	0.8
231.03059	0.8
240.04242	0.6
241.05103	1.4
243.03085	0.9
245.04489	0.8
251.03531	1.3
255.02975	1.0
257.04416	0.5
267.02914	1.3
268.03101	0.6
269.04584	2.2
271.02438	1.4
273.03745	0.5
279.02921	0.9
283.02234	1.0
283.15500	1.1
285.04102	1.5
295.02466	8.7
296.03043	1.5
297.04022	7.0
298.01190	0.6
299.02011	0.9
300.02814	1.1
301.03391	2.5
301.06525	0.6
309.03928	0.7
311.02115	2.4
312.02625	0.6
313.03467	6.3
323.01968	8.5
324.02518	1.9
325.03604	0.7
327.01501	7.0
340.98944	1.1
341.03027	21.6
342.03348	2.1
353.03061	0.7
355.04495	2.3
371.03775	0.6
373.05685	1.2
383.03918	0.9
427.10458	0.8
440.91904	0.5
445.07721	100.0
446.08109	10.0
446.17688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90645	1.2
59.01381	2.7
61.98829	100.0
71.44168	1.8
78.95898	3.8
110.98537	2.8
117.60759	1.6
128.05466	1.3
138.70589	1.4
167.01149	1.6
185.02171	2.7
193.25365	1.4
277.21716	80.5
445.23730	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	444.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.4
59.01380	15.0
59.97707	0.3
61.98830	100.0
62.98529	0.3
69.45544	2.1
71.01383	3.4
73.02942	0.6
76.81895	0.3
85.02967	0.9
87.00889	0.4
89.02444	4.3
99.04521	0.4
101.02437	2.3
113.02460	1.7
119.03487	1.7
125.60603	0.3
131.03564	0.4
143.03464	0.4
149.04532	0.4
161.04546	0.9
179.05582	2.0
179.10689	0.3
191.05612	0.3
205.12402	1.0
209.11850	0.7
221.11786	0.3
246.08549	0.3
248.52139	0.3
265.10855	0.8
269.04645	0.5
325.03680	0.4
353.82651	0.3
445.07910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.3
61.98833	100.0
71.01376	1.1
71.54688	0.5
73.02939	0.3
77.23957	0.2
83.01389	0.2
85.02962	0.7
89.02444	0.3
96.96021	1.2
96.96965	0.5
101.02468	1.1
102.02774	0.3
108.02207	0.3
113.02488	0.8
119.33224	0.3
123.00914	1.0
123.04559	0.3
124.01697	0.3
125.02459	1.0
138.03261	0.9
139.03998	2.0
151.00403	0.8
152.01176	0.5
153.05620	0.3
161.04604	0.5
166.99892	0.6
167.03540	0.9
169.01489	0.3
182.02258	1.4
191.05653	0.4
197.04562	3.5
208.94135	0.2
237.12279	0.3
239.05342	0.3
296.63004	0.2
301.09357	0.4
353.47159	0.2
361.13297	0.3
384.18649	0.9
401.22061	0.7
444.12814	0.3
444.18781	0.3
445.09943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02900	0.2
57.03444	0.8
59.01380	15.4
60.77016	0.2
61.98829	100.0
64.23422	0.3
70.96351	0.4
71.01381	2.9
73.02955	0.6
85.02961	1.1
89.02435	4.0
93.03456	0.3
94.26688	0.2
99.04514	0.5
100.97169	0.2
101.02432	2.2
102.88012	0.2
103.39613	0.2
113.02441	1.1
119.03508	1.8
119.04953	0.3
125.02452	0.5
125.03397	0.3
128.03580	0.3
143.03525	0.6
146.02615	0.3
161.04602	0.6
179.05602	2.0
188.42270	0.2
191.05544	0.4
203.10889	0.4
205.12355	0.6
209.11839	0.5
221.11684	0.3
264.80832	0.3
269.04453	0.3
290.79428	0.3
297.03961	0.4
300.11761	0.4
318.33069	0.3
342.12634	0.3
371.59061	0.2
385.00705	0.3
464.51309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.28
Annotation	Foetidinol
Peak:m/z	Relative Intensity
56.94783	0.7
69.50073	1.6
69.50487	4.0
98.95606	1.8
109.86926	0.8
125.06069	1.6
131.29045	0.8
137.09683	0.8
137.82677	0.8
138.03206	1.1
151.04012	2.2
166.02708	2.6
173.47672	0.8
177.01842	1.2
179.03435	1.4
180.04324	1.1
192.04338	1.0
207.10236	0.8
217.08641	1.0
217.61259	0.9
220.11090	0.9
221.08212	1.3
222.08980	10.2
223.09604	1.0
233.08180	9.4
235.09734	36.6
236.10361	4.2
247.09776	7.2
248.10518	10.7
249.11093	1.4
259.17010	1.1
261.11362	3.0
284.10913	0.9
289.14685	1.1
303.16003	14.0
303.19440	0.9
304.16751	1.0
317.17377	6.5
373.20135	1.2
374.20929	10.4
375.21286	0.9
399.28998	5.4
400.29269	1.1
443.28052	100.0
444.28464	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	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98815	5.5
62.71114	1.6
63.16395	1.8
64.20270	2.0
69.95596	6.4
72.39404	1.7
98.20591	1.8
111.08200	2.5
116.92836	2.0
123.63867	1.7
135.52049	2.0
142.52852	1.9
152.42009	1.7
163.60173	2.6
167.03168	1.8
182.20422	1.7
184.82091	1.8
197.11768	5.2
207.91919	1.9
248.89609	2.3
291.19705	3.9
303.41241	2.0
309.20648	12.0
309.28439	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	443.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36713	1.2
61.87452	1.3
61.98827	3.1
66.78247	1.4
71.24670	2.6
76.13541	1.2
107.05071	1.3
116.92863	2.6
125.06079	4.1
137.65213	1.1
151.04002	7.0
151.07765	1.3
162.71712	1.4
177.01891	1.4
180.04248	6.5
207.10155	2.2
217.08594	2.9
221.08189	5.7
222.08818	2.1
235.09731	82.3
236.10442	23.0
237.11046	1.5
244.44708	1.2
247.09592	2.8
249.11195	3.8
301.14276	1.4
443.27969	100.0
444.28290	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39728	0.4
57.03439	0.4
70.36867	1.4
71.05007	0.5
79.01866	0.9
80.34475	0.4
99.08147	0.5
101.06062	0.4
107.04999	0.4
109.02946	0.7
120.72395	0.4
123.04527	1.1
125.06079	5.5
125.09655	0.7
136.05345	0.4
137.02437	0.6
137.09702	0.6
148.00357	0.4
151.04002	6.9
152.04675	0.6
163.04073	0.5
165.05598	1.0
165.12798	0.5
166.02692	1.6
177.01901	1.1
179.03497	0.7
180.04251	4.0
191.03516	0.4
191.10757	0.6
193.12399	0.4
205.12286	1.2
207.06592	1.3
207.10179	1.7
212.15616	0.4
217.08701	2.5
219.06602	0.5
221.08157	5.0
222.08983	3.2
223.09641	0.7
233.08168	1.1
235.09738	74.4
236.10403	13.0
237.10802	0.7
247.09705	7.4
248.10167	0.6
249.11327	9.1
249.18588	0.8
261.11374	2.1
263.12976	0.4
301.14395	1.2
303.15967	1.1
317.17517	1.0
345.16956	0.9
357.20804	1.0
359.18524	1.1
373.20212	1.1
374.20901	1.5
399.29065	1.0
443.27991	100.0
444.22266	0.7
444.28354	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	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76373	0.4
59.01377	100.0
60.01706	1.1
61.98842	0.9
62.92705	0.5
66.54839	0.5
70.77000	1.2
71.01373	0.7
91.03980	2.3
99.92598	0.8
111.08173	1.7
115.92115	0.8
116.92867	1.6
136.01640	0.7
148.04112	0.5
153.50003	0.5
155.14885	0.5
171.10278	0.5
185.26733	0.5
197.11823	4.5
211.13474	0.6
291.19672	3.6
292.20093	0.5
309.20712	8.4
325.55771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32526	0.8
58.45443	0.7
59.01360	1.9
61.98829	3.4
70.40939	0.8
70.41293	2.4
93.03497	1.0
93.41106	0.7
95.83553	1.0
105.07079	0.8
108.02168	8.1
109.02943	1.3
117.03441	1.5
119.05056	1.3
121.02966	11.7
122.03761	4.3
123.00867	3.7
123.04535	8.5
124.01640	1.0
135.04539	1.2
136.01668	81.4
137.02103	2.6
138.03191	2.2
143.05020	3.5
146.03745	2.5
147.04538	3.1
151.04018	100.0
152.04384	3.5
154.02708	1.4
158.03714	2.4
159.04500	3.0
160.05319	7.9
161.02478	1.4
161.06088	11.6
162.03194	2.1
162.06769	1.7
163.04018	1.3
171.04601	3.9
172.05304	26.1
173.05865	2.3
174.03181	3.0
175.04025	6.8
175.07661	7.1
177.05597	4.9
181.19725	0.8
187.04060	1.7
187.07643	9.8
188.04784	1.2
189.03818	1.4
189.05577	61.0
190.06358	76.2
191.06746	2.6
193.04895	1.1
202.06340	1.1
205.08693	62.6
206.09016	3.2
222.06779	1.7
238.06413	1.4
239.07228	1.3
250.06369	1.5
266.05795	2.8
267.06656	1.5
278.05789	1.0
281.08292	5.6
282.08865	0.8
283.09756	1.3
293.08063	1.7
296.06827	1.5
311.09268	17.2
312.09695	1.5
326.11569	56.1
327.12119	8.6
356.12512	4.0
357.13330	1.4
410.17108	1.2
413.19638	3.1
425.19690	54.0
426.20111	5.8
462.86420	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62544	1.3
58.19538	1.2
59.01380	13.9
61.10617	1.3
61.98822	5.9
69.26974	7.3
69.27405	4.9
71.01368	3.3
79.00537	1.5
92.15247	1.4
93.03455	1.8
96.96039	2.0
104.90777	1.5
108.02158	9.0
108.79697	1.2
109.02893	1.6
117.03495	2.9
119.04984	1.9
121.02930	10.7
122.03719	6.1
123.00845	1.9
123.04533	7.3
129.02039	1.3
135.04535	2.1
136.01662	89.2
137.02087	2.7
143.05026	4.3
145.02983	1.3
146.03760	1.4
147.04501	3.4
149.06105	1.4
151.04004	100.0
152.04337	5.2
153.04477	2.0
154.02708	1.8
159.04521	2.9
160.05331	7.0
161.02467	1.4
161.06076	15.1
162.03206	1.7
162.06918	2.0
171.04529	3.6
172.05304	28.1
173.06004	1.7
174.03188	2.2
175.04007	5.5
175.07571	6.5
187.03940	2.3
187.07672	8.9
189.03796	1.9
189.05574	54.4
190.06352	70.4
191.06679	1.9
205.08705	68.8
206.09019	4.0
223.13713	1.8
234.06837	1.3
265.05157	1.4
266.05704	2.9
268.48706	1.5
281.08084	7.6
311.09189	16.0
312.09845	1.4
326.11575	66.0
327.12061	8.1
357.13330	2.6
358.13480	1.8
392.67789	1.5
425.19681	75.4
426.19943	8.2
443.16446	1.6
443.20914	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	443.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58221	0.5
55.01870	1.5
57.03437	1.4
58.00585	1.0
59.01382	32.6
69.69427	2.5
71.01385	19.5
72.99289	1.0
73.02947	3.5
83.00938	0.5
83.01370	3.0
85.02956	7.7
87.00887	1.3
88.98821	1.3
89.02450	12.5
93.94383	0.4
95.01375	1.9
98.19936	0.6
99.00881	1.1
101.01794	1.0
101.02444	15.2
111.04497	0.9
113.01724	0.7
113.02447	8.2
119.03503	5.0
161.04564	1.2
164.69002	0.4
168.84161	0.5
171.11751	0.7
189.12907	1.3
219.13913	0.9
237.14923	1.3
262.56104	0.6
263.12924	0.5
353.08585	0.7
389.29672	0.5
443.19208	100.0
444.19550	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	443.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
57.03427	1.3
58.00588	1.4
58.35581	0.5
59.01381	38.4
60.99286	1.2
70.41254	1.6
71.01381	25.1
72.99302	1.4
73.02944	4.3
75.00880	1.5
80.39511	0.5
81.87468	0.4
82.83301	0.5
83.01375	3.5
85.02944	10.0
85.48055	0.5
87.00873	1.6
88.98800	7.1
89.02442	16.5
95.01379	3.0
99.00871	1.7
101.01796	1.0
101.02443	18.7
107.37189	0.6
110.13025	0.6
111.04493	0.7
113.02456	7.6
119.03488	6.0
123.08213	0.6
143.03468	0.7
149.04541	0.6
159.02982	0.5
161.04489	1.6
173.04530	0.5
179.05450	0.5
189.12808	2.0
191.05614	4.7
219.13878	0.8
237.14931	1.0
353.08722	1.0
443.19180	100.0
444.19467	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	443.169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	0.9
59.01380	100.0
59.43580	0.8
61.95334	0.7
61.98832	2.0
62.83239	0.7
66.29431	0.8
69.18971	2.2
69.19382	5.9
71.01374	2.8
73.02943	1.3
73.95975	0.8
78.95892	1.5
79.05527	2.3
81.03471	2.8
85.02948	3.3
89.02399	0.9
93.03474	0.9
96.95979	4.3
96.96972	2.1
101.02433	1.2
105.03471	10.5
106.03873	0.8
108.02171	1.1
109.02983	0.8
111.00857	1.6
113.02441	4.9
123.04523	53.7
124.04858	2.0
149.02437	50.7
150.02736	1.5
152.01152	1.3
160.01636	1.3
163.04141	0.8
165.05540	1.4
167.03500	25.1
168.03845	1.2
175.03975	2.0
179.03479	1.2
191.05595	1.6
209.04509	1.5
298.79935	0.9
315.07306	1.6
323.07953	1.2
329.08777	57.1
330.09073	3.2
383.14746	4.8
437.94907	0.9
443.11600	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	443.169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	0.9
59.01380	100.0
59.43580	0.8
61.95334	0.7
61.98832	2.0
62.83239	0.7
66.29431	0.8
69.18971	2.2
69.19382	5.9
71.01374	2.8
73.02943	1.3
73.95975	0.8
78.95892	1.5
79.05527	2.3
81.03471	2.8
85.02948	3.3
89.02399	0.9
93.03474	0.9
96.95979	4.3
96.96972	2.1
101.02433	1.2
105.03471	10.5
106.03873	0.8
108.02171	1.1
109.02983	0.8
111.00857	1.6
113.02441	4.9
123.04523	53.7
124.04858	2.0
149.02437	50.7
150.02736	1.5
152.01152	1.3
160.01636	1.3
163.04141	0.8
165.05540	1.4
167.03500	25.1
168.03845	1.2
175.03975	2.0
179.03479	1.2
191.05595	1.6
209.04509	1.5
298.79935	0.9
315.07306	1.6
323.07953	1.2
329.08777	57.1
330.09073	3.2
383.14746	4.8
437.94907	0.9
443.11600	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	443.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
55.62021	0.7
57.03453	1.0
58.00577	0.9
59.01382	50.1
60.01708	0.7
61.98840	3.2
64.35630	0.8
68.98708	0.7
69.60201	5.3
71.01389	16.1
72.99274	1.3
73.02960	2.3
83.01403	1.8
85.02954	7.8
87.00871	1.6
89.02447	11.3
93.03477	0.9
95.01409	2.0
96.69782	0.8
96.96033	1.7
101.02444	11.0
108.02181	2.6
111.04517	1.1
113.02459	6.1
117.03497	1.0
119.03522	4.7
119.05039	2.9
121.02985	1.1
123.04539	7.1
124.01654	1.0
125.02457	1.4
134.03723	1.2
135.04546	8.7
136.05293	5.0
137.02425	1.4
139.07666	1.1
145.02963	2.5
149.02498	2.2
150.03165	1.2
151.04054	2.0
151.07649	5.1
163.04042	1.9
167.03516	2.3
177.09203	1.2
191.05659	2.9
195.06631	100.0
196.06995	3.7
207.63470	0.8
221.11990	1.0
267.07214	1.8
329.08932	1.9
341.98877	0.8
348.66000	1.1
368.53781	1.0
386.74634	0.9
399.13132	1.7
411.17105	0.8
443.19363	57.7
444.19672	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
57.03451	13.7
59.01372	13.9
61.98827	2.5
69.16978	6.9
69.17406	3.1
71.01381	10.3
72.99313	4.2
73.02940	1.1
75.00875	1.1
79.15730	1.0
83.01374	6.2
84.02160	1.9
85.02948	100.0
86.03293	1.6
89.02435	1.8
96.96040	1.4
99.00881	1.4
101.02432	1.9
111.00883	16.1
121.02953	30.3
126.42104	1.0
129.01945	28.5
131.05060	2.0
133.06580	3.3
135.04492	2.6
147.04509	15.0
159.04492	1.1
161.06026	4.7
173.00906	8.8
187.07664	2.8
189.05573	5.0
193.05022	1.2
213.34511	1.0
215.07124	4.7
251.05591	9.3
252.05675	1.3
277.07169	5.6
295.04620	2.6
354.87482	1.0
400.29062	0.9
415.19608	1.3
443.09860	1.2
443.18451	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	443.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.2
57.03448	14.5
59.01377	5.1
61.98842	1.5
68.99846	0.9
69.29187	2.8
69.29610	3.9
71.01387	10.6
72.99310	5.5
73.02953	1.3
75.00903	0.9
83.01392	6.6
84.02177	1.5
85.02952	100.0
86.03287	1.7
87.00874	2.1
88.98819	0.9
89.02452	1.3
93.03449	1.3
98.20626	1.4
101.02440	1.7
102.57129	0.7
103.08320	0.7
111.00242	0.5
111.00884	19.6
121.02956	36.5
122.03232	1.0
126.27831	0.8
129.01947	52.7
130.02284	1.3
131.05042	1.8
133.06593	3.2
135.04556	2.0
137.02467	1.4
143.05113	0.9
145.01453	1.1
147.04529	23.3
148.04906	1.1
159.08105	0.8
161.06029	4.9
169.06592	1.1
173.00917	14.8
187.07664	2.0
189.05585	6.7
191.01968	1.7
191.05779	0.7
215.07228	4.3
219.13927	1.2
243.19662	0.8
251.05621	10.6
277.07147	9.9
295.04684	2.8
321.06219	1.4
443.18411	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	443.0381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	60.8
60.01716	0.5
61.98833	0.9
63.78772	0.5
71.52823	0.4
74.00034	0.5
76.19398	0.4
114.98881	0.6
115.02520	8.9
117.00437	5.7
129.26234	0.4
156.99925	1.3
157.03583	2.4
159.01489	79.8
160.01610	5.0
180.51048	0.4
201.02542	24.0
202.02762	1.7
203.02367	0.6
217.00441	1.9
259.01608	3.1
301.02649	100.0
302.02817	13.4
401.02631	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	22.1
60.99304	17.0
67.01888	1.9
69.64063	3.1
69.64495	4.3
71.01385	13.3
73.02943	2.2
75.00877	2.3
81.03424	1.6
83.01380	1.3
85.02959	7.0
87.00881	1.4
88.35262	1.1
88.98804	100.0
89.02436	8.3
93.03457	9.6
96.95995	1.5
99.00858	1.6
101.02441	9.2
111.04492	3.5
113.02444	5.0
116.92859	1.9
119.03482	3.6
134.03690	1.5
135.04529	33.0
136.04839	1.7
137.02409	3.4
155.03476	3.8
161.02412	2.5
161.27438	1.1
171.02995	1.1
173.04543	59.7
174.04868	3.1
179.03482	36.6
180.03905	1.5
191.05612	28.3
217.72728	1.2
335.07413	1.3
353.08771	52.3
354.09116	3.8
443.19189	41.6
444.19418	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	442.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
61.98830	100.0
69.59859	1.4
71.01388	0.5
74.52422	0.2
85.02968	0.2
89.02457	0.5
101.02459	0.4
115.92036	0.3
119.03491	0.2
135.04558	0.3
191.05638	0.4
192.01195	0.3
239.10751	0.2
248.04028	0.7
292.02927	0.4
297.05914	0.3
328.00635	0.3
357.36057	0.2
357.46634	0.3
382.17950	0.4
396.53619	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01714	1.3
61.98839	1.7
67.74249	0.4
69.19935	0.8
69.20341	3.0
71.01382	5.8
72.99312	0.4
73.02964	1.3
76.13770	0.4
83.01418	1.0
85.02972	2.6
89.02444	3.3
93.03471	1.0
95.01402	0.5
101.02438	2.8
102.63895	0.4
113.02451	3.3
119.03535	0.9
125.69899	0.4
131.03523	0.5
137.02470	1.8
153.01987	0.5
161.04510	0.9
173.04585	0.8
191.05670	1.3
275.75912	0.4
325.66675	0.4
326.44882	0.5
342.07205	0.4
381.23117	0.7
383.66455	0.4
399.24081	1.8
409.60181	0.5
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	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
57.29949	0.3
59.01378	100.0
60.01712	1.0
61.98832	1.5
62.57211	0.3
65.92202	0.3
68.99584	0.3
69.03433	0.4
71.01381	8.0
71.55289	0.3
73.02940	4.1
73.48085	0.3
75.00855	0.4
77.95043	0.3
83.01407	1.6
85.02963	2.6
87.00924	0.3
89.02451	2.6
93.03495	0.5
99.00917	0.5
101.02440	5.1
103.34501	0.3
112.98592	0.7
113.02441	3.6
119.03513	1.2
131.03540	0.4
161.04562	1.3
173.04549	0.5
179.05623	0.4
191.05573	1.1
195.06635	0.4
399.24011	1.5
401.82736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89125	0.3
54.71144	0.3
57.03471	0.4
59.01379	100.0
60.01710	0.7
60.70460	0.3
61.98834	1.5
65.57475	0.2
69.35220	2.2
71.01379	5.4
73.02945	2.0
83.01398	0.9
85.02934	2.7
87.00873	0.4
89.02446	1.7
95.95245	0.5
99.00941	0.4
101.02453	2.9
109.22103	0.3
113.02439	2.1
117.31513	0.3
119.03506	0.5
121.02917	0.3
125.02473	0.3
130.04202	0.3
135.04590	0.3
161.04585	1.1
173.04620	0.3
179.05696	0.3
191.05658	0.9
259.21234	0.3
259.71735	0.3
269.64322	0.3
308.75034	0.3
341.19626	0.3
344.69843	0.3
399.24066	0.7
441.21408	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03446	0.6
58.00591	0.9
58.37470	0.3
58.97876	0.3
59.01379	100.0
60.01719	0.6
61.98826	2.0
62.27129	0.3
71.01382	21.9
71.17226	0.3
72.99307	1.2
73.02945	9.5
81.03477	0.3
83.01383	3.5
85.02948	5.7
87.00894	1.0
87.04536	0.5
89.02444	14.9
95.01373	1.5
99.00904	1.1
99.92598	2.3
101.02441	17.6
101.06160	0.4
101.08714	0.3
102.02785	0.3
109.02972	0.3
113.02456	8.5
115.92072	1.9
116.92860	3.0
119.03503	6.5
125.02438	0.4
131.03484	1.7
142.02676	0.3
143.03545	2.0
149.04565	1.0
159.02968	0.3
161.04555	4.3
161.55319	0.3
178.04906	0.5
179.05612	3.7
203.05560	0.4
255.03523	0.7
399.23688	2.1
405.42725	0.4
441.15967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82686	0.6
57.73265	0.6
59.01378	0.8
61.98816	1.0
67.01894	5.6
68.99812	3.0
70.46468	2.2
81.03455	0.9
90.57565	0.7
95.01389	6.3
96.55615	0.8
97.02928	0.8
98.20554	0.7
107.01385	3.4
108.02185	4.2
109.02961	2.4
111.00887	5.5
112.98790	0.9
121.02945	1.2
123.00900	27.0
123.04536	8.3
125.02477	1.3
131.05034	0.8
133.02950	0.9
133.06708	0.7
136.01672	2.8
136.18481	0.6
137.02467	0.8
138.03235	8.0
145.02954	1.4
146.03741	1.7
147.04523	10.7
151.00496	0.8
151.04016	2.7
156.64586	0.7
158.03738	0.7
159.04514	2.9
160.05269	0.7
161.02492	4.4
161.06126	0.8
162.03232	24.0
162.06874	2.9
163.04059	4.2
164.04752	1.0
165.05591	1.8
167.03458	0.9
173.02415	2.6
173.06105	0.9
174.03256	1.8
175.03983	3.6
175.07635	1.1
177.05571	43.0
178.05893	1.7
187.03966	1.7
188.04771	11.3
189.05574	6.2
191.03540	1.3
193.05066	12.6
195.06667	1.9
204.04099	0.8
206.05782	1.0
207.06573	1.9
266.05841	0.8
286.01157	0.9
293.08173	0.9
294.05569	0.7
297.07681	6.0
299.01996	0.8
309.07703	2.5
311.09241	2.0
312.10007	12.9
313.10626	0.9
314.04404	1.0
314.07870	1.3
324.10059	1.0
327.08652	3.0
329.03110	0.8
329.06583	1.1
329.10269	1.1
339.08536	1.4
341.10400	0.8
343.11758	1.0
344.05334	2.1
357.09802	8.7
359.07635	1.0
371.11554	1.6
372.12131	100.0
373.12430	8.8
381.04697	1.0
441.19171	45.4
442.19598	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	441.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32851	0.8
54.88794	0.8
55.01876	2.2
55.66872	0.9
57.03439	2.8
58.00584	3.5
59.01383	100.0
61.98833	61.5
64.78162	0.9
71.01385	51.2
71.53904	0.9
71.54296	0.9
72.99293	4.8
73.02937	5.4
74.28868	0.9
83.01389	5.4
83.05030	1.1
85.02951	14.3
87.00880	2.5
89.02449	50.7
93.03445	0.8
95.01395	4.0
97.02940	1.7
98.08236	0.7
99.00892	2.3
99.04509	1.3
101.02447	34.1
107.05034	1.0
108.02180	1.4
109.02947	7.5
109.06613	0.9
111.00922	0.9
113.02451	21.7
117.03468	1.1
118.99525	0.9
119.02663	1.5
119.03516	23.9
119.04993	10.3
121.02955	1.0
122.03745	1.8
123.04576	1.7
124.05318	1.6
125.02460	1.0
129.02034	0.9
131.03479	2.6
133.06609	10.8
134.03737	3.6
135.04504	1.8
137.02440	1.6
137.06061	1.9
139.07655	13.3
143.03494	3.9
145.02946	2.8
149.02431	1.4
149.06071	3.2
151.07652	1.0
161.02412	2.6
161.04579	8.7
163.04039	9.6
163.07605	1.5
164.04617	1.2
169.08711	2.5
170.76112	0.9
178.02686	2.8
179.03470	1.1
179.05614	5.2
187.11275	2.1
191.03487	2.1
193.05063	7.6
202.10007	1.0
204.11673	1.1
205.05170	1.9
205.12314	3.6
217.12283	4.5
223.06140	1.6
233.04538	2.0
235.13252	2.0
275.15063	1.4
279.08875	2.4
279.16043	2.1
293.16147	5.5
330.13196	23.3
331.13931	12.8
335.16992	5.3
358.04712	0.9
397.07562	2.1
397.18558	4.6
423.16779	1.2
441.17685	82.1
442.18085	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	441.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47708	0.3
57.03446	0.7
59.01379	100.0
60.01712	1.1
61.98825	0.5
65.77811	0.3
69.03490	0.6
71.01376	3.3
71.31824	0.5
73.02946	3.6
83.01369	0.4
84.69815	0.3
85.02945	3.9
87.00851	2.0
89.02443	19.3
99.00888	0.3
101.02487	0.4
103.04005	1.6
105.01936	4.2
105.07114	0.5
111.00898	0.9
114.05662	0.4
118.92073	0.3
120.64838	0.3
126.37680	0.3
131.03505	5.5
133.02945	0.3
134.03706	0.5
147.03018	0.8
147.41246	0.3
149.04553	91.9
150.04948	1.6
150.06821	0.8
151.07654	0.9
159.11812	0.5
161.13362	8.7
162.13651	0.5
167.93793	0.3
177.05588	0.5
187.11345	0.5
191.01973	1.4
191.05592	1.5
193.08632	0.5
205.12334	25.4
206.12651	1.5
223.13405	2.4
249.11311	2.8
265.14444	1.3
267.12347	1.0
293.10324	0.4
293.52945	0.3
309.13339	3.4
337.16800	0.6
441.17670	5.7
442.18158	0.9
465.57141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26896	0.3
50.38860	0.3
57.03448	0.7
59.01376	6.1
61.98826	1.3
67.01887	4.2
69.78201	1.1
69.78607	0.8
71.01376	4.7
72.99306	2.8
73.02950	0.6
83.01384	3.4
85.02950	17.7
86.03302	0.4
87.00899	0.5
89.02439	0.9
93.03442	0.9
98.19872	0.4
99.00887	1.2
101.02457	2.5
105.40952	0.3
107.05057	0.9
108.02179	0.4
111.00880	100.0
112.01219	2.6
113.02451	0.6
129.01945	6.2
131.03491	0.7
134.03761	1.2
135.04539	5.4
137.02409	0.9
147.03000	0.5
148.05312	0.8
149.04590	0.6
152.01219	0.4
154.99860	15.2
161.04550	0.9
163.07642	0.9
173.00903	46.3
174.01283	1.0
178.02614	0.4
191.01993	0.6
191.05656	2.3
223.13391	1.3
255.79359	0.4
267.12234	0.5
307.91766	0.4
431.15701	0.4
441.17703	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.4
59.01379	27.3
59.33731	1.2
61.98833	24.1
71.01384	6.3
72.99311	1.3
73.02954	3.0
75.00867	2.6
75.07652	1.2
81.03453	2.1
83.01402	3.0
85.02952	12.6
86.50501	1.1
87.00886	4.5
89.02425	4.8
90.07675	1.2
96.96037	1.4
98.19881	3.0
99.04510	3.4
101.02441	5.1
104.03512	1.3
108.02163	1.5
109.02927	1.9
113.02441	4.9
117.03470	11.7
119.04974	1.3
123.04498	1.2
129.01968	1.3
130.08740	1.8
133.03014	1.6
134.03741	83.9
135.04083	2.9
137.02480	1.6
139.03915	1.4
143.03549	1.4
145.02965	1.3
147.02911	1.5
149.02461	1.5
149.06116	8.0
160.01643	3.4
161.04523	3.3
163.03952	5.6
169.00412	1.2
175.03951	4.5
178.02666	1.8
178.96202	1.3
179.05559	2.0
189.01791	1.2
191.01982	2.7
191.03491	7.6
191.05464	2.9
193.05052	100.0
194.05438	6.8
203.03630	1.3
203.05536	2.5
205.05067	3.3
209.08463	1.2
219.10260	2.7
221.06639	8.6
223.06183	1.8
227.03477	2.7
233.04503	13.9
235.13248	1.5
255.02876	2.3
274.22272	1.3
277.03546	5.0
279.12265	2.0
283.02255	1.7
284.03485	1.9
293.10406	2.2
293.16074	3.8
335.17145	1.3
337.09201	2.7
339.08051	10.1
355.10333	1.5
397.07404	12.1
441.07352	4.0
441.17511	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	441.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.7
61.98832	7.9
62.00481	0.6
69.45559	4.6
71.01368	3.0
73.02939	1.2
74.02489	0.8
75.00863	1.6
78.95907	1.0
79.83629	0.6
81.03449	1.5
85.02940	2.0
87.00879	7.2
88.98795	0.6
89.02457	1.1
89.03967	2.0
94.26931	0.7
96.96016	1.5
99.04503	1.9
101.02438	1.9
103.00356	0.9
108.02211	2.0
109.02941	1.1
111.00866	1.2
113.02364	0.9
117.03480	7.8
119.05016	1.7
121.02958	1.2
125.02410	1.1
128.03555	0.7
133.02927	1.0
134.03741	72.3
135.04041	2.0
136.29655	0.6
137.02455	1.6
143.03496	1.7
145.02959	8.9
146.04559	0.8
147.04552	0.7
149.02489	1.2
149.06081	6.8
152.01144	1.2
153.02026	0.8
160.01625	2.7
161.04512	1.6
163.04004	2.3
164.04744	1.0
167.03455	1.5
175.03955	3.6
178.02725	6.5
179.05672	0.8
193.05048	100.0
194.05347	6.2
203.05571	3.5
205.05002	1.3
218.06694	1.1
221.06654	7.0
223.06070	0.8
235.06056	0.7
265.07150	1.3
312.11954	0.7
325.09360	3.2
333.02765	0.8
337.09247	1.5
355.10211	1.0
381.17593	1.2
397.11435	2.5
402.52969	0.8
441.14001	1.0
469.80624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36530	0.9
59.01387	3.8
60.41472	1.0
61.98833	6.3
97.10064	0.9
101.02442	0.9
102.44443	1.0
131.58980	1.0
133.02957	1.3
139.03981	1.5
148.98811	1.3
149.02483	2.8
151.04021	1.1
153.01959	0.9
164.12854	0.9
170.03717	1.5
172.01591	1.5
175.00377	5.7
178.02692	1.2
202.02718	2.6
214.02739	2.3
230.02229	2.9
233.04565	1.2
242.02197	5.5
258.01700	12.6
270.01697	2.3
286.01175	28.2
287.01453	2.5
297.00497	1.7
301.03592	9.1
314.00693	27.1
315.01044	2.0
329.03021	69.2
330.03476	4.9
344.05371	62.4
344.08832	1.0
345.05832	4.8
359.07718	100.0
360.08020	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	441.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03214	1.8
59.01378	19.3
61.98825	6.4
71.01389	5.4
71.54600	2.3
75.00845	2.4
78.95858	1.8
82.82299	1.4
83.01396	3.7
85.02946	3.5
87.00877	3.0
88.04037	2.3
88.98807	1.8
89.02448	2.4
89.03983	1.6
93.03465	17.3
96.96040	2.1
101.02460	2.7
109.02959	2.5
113.02491	2.7
117.03436	4.7
117.40912	1.5
119.05045	4.8
123.04482	1.7
125.02477	1.9
134.03755	28.4
135.04520	4.4
137.02457	49.0
139.07719	1.7
139.57283	1.6
145.02969	4.4
147.04486	3.8
149.02478	13.2
149.06042	5.2
153.01917	1.8
160.01669	6.2
161.02434	3.3
161.06091	2.6
163.04025	31.0
175.00339	3.3
175.03992	17.6
176.04584	1.6
177.05528	4.3
184.01137	1.6
187.04004	2.8
189.01953	6.6
191.03517	43.1
193.05070	38.4
194.05418	2.2
203.03517	22.3
203.05386	3.0
204.04207	3.6
205.05087	24.7
217.01373	2.9
217.05074	8.5
221.04559	1.7
221.06660	3.7
233.04552	81.2
234.04849	4.2
245.04526	13.6
247.06039	2.5
263.05618	31.6
264.06027	3.0
277.03534	29.5
277.06598	3.1
278.03799	2.6
279.12408	1.6
293.10532	2.9
305.61612	1.9
307.04657	8.6
308.05069	1.5
337.09305	2.8
355.10294	2.0
374.00366	1.9
379.06424	2.7
397.07727	100.0
398.08026	12.1
405.17535	3.0
441.06339	17.9
442.07834	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.9
61.98808	1.1
69.34543	7.2
69.34958	2.9
76.22743	1.2
83.01386	6.1
85.02950	1.2
117.03490	1.3
117.68787	1.1
119.05017	1.6
121.02898	1.7
134.03687	4.6
135.04501	3.3
145.02911	4.0
147.04495	2.8
148.01689	1.7
149.02431	8.4
161.02417	4.4
161.46753	1.4
162.03267	1.2
163.03995	26.9
173.02374	2.9
175.00304	1.3
177.05511	4.2
187.03961	4.1
189.01900	11.0
190.02631	2.0
191.03503	56.6
192.03839	3.6
193.05078	4.9
203.03450	8.7
204.04065	2.1
205.05049	17.8
215.03342	1.5
217.01361	2.0
230.02153	2.0
233.04529	88.7
234.04811	4.0
245.04601	2.6
263.05551	6.4
277.03525	33.8
278.03928	2.0
307.04605	1.4
334.90280	1.2
372.29120	1.3
397.07721	100.0
398.08142	10.1
429.58417	1.5
441.06689	15.9
441.17950	1.4
442.07169	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	440.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.3
59.01377	67.3
60.01714	1.3
61.98825	2.6
69.28868	2.0
69.29278	6.4
70.02968	5.1
71.01392	2.3
71.05010	1.4
72.00898	1.2
72.24597	0.9
73.02953	1.2
74.02471	19.8
84.04544	10.2
85.02950	2.3
87.00892	1.8
88.98747	0.8
92.27272	0.9
93.03463	1.4
95.97190	1.1
98.02463	4.2
104.03535	10.3
111.00880	3.5
114.05607	1.8
116.03532	16.6
128.03520	4.2
135.04533	1.5
146.04593	100.0
147.04884	2.0
149.04544	2.3
150.47874	1.0
155.03394	0.9
161.13316	1.8
173.00932	1.7
173.04553	2.6
174.06685	0.9
175.07312	1.0
188.08118	1.1
191.05626	5.6
223.13380	61.0
224.13759	5.5
232.10553	2.1
246.79694	0.9
267.12347	12.7
275.09415	2.0
276.09564	2.9
308.12234	2.0
396.16638	4.2
447.54980	1.0
452.41119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.7
61.98823	7.6
66.63005	1.3
71.01400	6.8
71.54001	2.0
75.00886	2.5
75.05381	1.2
81.03467	3.7
83.01383	13.2
87.00894	2.0
89.02482	1.4
91.01935	1.5
91.05540	2.2
93.03452	2.0
95.05042	1.3
105.01939	6.8
107.04995	2.6
109.02957	2.1
113.02461	1.8
119.05077	1.3
123.04547	15.8
125.02460	8.6
131.05046	2.0
137.02461	2.9
145.01416	10.2
149.02420	4.0
149.06116	7.0
151.00351	3.3
151.04012	6.0
159.04478	1.3
161.05934	1.3
163.04002	2.8
163.07710	1.6
165.02029	1.6
167.03505	91.9
168.03804	3.7
175.04013	4.1
175.07721	1.6
177.01929	2.6
177.05548	2.7
179.03503	5.2
191.03441	10.5
192.99596	1.7
193.01428	31.3
193.05075	28.9
194.01683	1.4
195.03030	8.0
203.03523	7.4
205.05070	9.0
206.06018	2.7
206.11952	1.6
207.03015	14.1
207.06567	6.4
211.02512	1.8
217.05025	2.6
219.02986	37.8
219.06563	3.8
220.03436	1.8
221.04558	17.7
223.02547	9.8
225.03979	7.2
231.03094	1.7
231.06590	2.2
232.03773	4.7
233.04544	26.5
234.05208	6.0
235.05954	2.8
237.03970	1.7
245.04460	5.3
246.05241	4.1
247.02539	2.1
247.05992	4.4
249.04057	11.8
250.04630	1.3
250.10770	3.7
251.05609	5.4
253.03517	2.0
259.06064	2.7
261.04004	2.4
262.04669	2.3
262.07245	1.4
262.10870	1.3
273.03806	1.4
275.05649	3.2
276.08865	4.0
278.10492	2.4
290.10379	3.0
291.05121	2.9
294.09943	4.0
295.04639	2.0
313.05655	33.2
314.05951	2.8
320.07767	37.6
321.08102	1.5
322.09326	7.3
334.09476	7.2
338.08969	2.2
339.07153	6.4
350.08844	22.7
351.09744	1.7
352.10422	3.4
380.09888	4.0
392.09958	2.2
405.17670	2.2
405.62332	1.4
412.12357	1.9
422.10980	6.2
440.11981	100.0
441.12357	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	439.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22889	1.5
54.29383	1.7
55.20751	1.6
55.70849	1.8
58.00597	2.0
58.73209	1.7
59.01375	25.1
61.98818	5.1
69.25101	10.7
69.25510	4.7
71.01379	29.1
71.20643	2.0
72.99298	2.4
73.02937	5.9
75.00869	5.1
83.01405	1.9
85.02945	7.6
85.81371	1.9
89.02435	6.0
95.01368	2.3
98.20643	4.8
101.02438	7.8
113.02442	16.0
119.03506	3.0
120.10357	1.9
121.03069	2.1
125.06052	2.1
139.07635	3.1
140.44318	1.9
161.04578	1.9
214.64220	1.8
273.22174	6.2
277.21707	100.0
278.21936	6.6
291.23264	33.8
292.23730	2.3
301.21698	6.2
319.22903	16.4
331.22757	5.5
349.23691	3.9
373.23550	2.5
402.52277	2.0
429.47018	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	439.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24090	1.6
57.03446	2.0
58.00596	3.8
59.01376	21.2
61.98827	2.3
63.80022	1.6
71.01385	26.5
71.53883	2.4
72.99303	1.9
73.02946	11.2
75.00867	4.2
83.01357	2.6
85.02956	8.6
89.02461	6.5
95.01391	4.5
97.06619	1.9
101.02428	7.1
113.02465	18.8
161.04507	2.0
273.22266	5.3
277.21704	100.0
278.22037	8.5
291.23267	33.6
292.23618	2.8
301.21722	4.8
303.23453	2.3
319.22705	17.9
320.23233	2.0
331.22769	5.1
349.23828	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	439.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
59.01378	7.9
61.98815	1.0
70.02020	2.8
71.01384	26.2
72.99323	1.0
73.02941	3.8
75.00873	5.1
77.37347	0.6
78.95882	0.8
83.01383	1.0
85.02949	5.0
89.02446	5.0
91.04006	1.5
95.01383	1.9
96.95989	1.3
96.96967	1.6
97.02963	0.6
99.00922	0.8
101.02428	4.9
113.02450	11.7
114.67464	0.6
161.04533	1.7
185.63536	0.6
197.13835	0.7
199.13359	1.9
273.22165	1.7
277.21713	100.0
278.22076	8.5
279.19550	1.1
287.23752	1.6
291.23245	3.2
301.21902	3.5
303.23267	0.8
319.22745	16.9
320.23203	0.9
331.22803	4.6
347.25961	3.8
349.23843	3.1
365.26968	14.7
366.27115	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	439.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01696	0.7
61.98830	1.1
66.10835	0.6
70.76194	1.7
81.08265	0.6
84.58910	0.6
89.45707	0.5
96.96009	1.4
102.33344	0.6
121.34917	0.5
125.55221	0.5
135.20322	0.6
144.32117	0.7
181.05130	1.5
195.06604	4.4
196.34781	0.7
254.53014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46018	10.9
58.87053	11.2
59.01377	14.5
62.94297	11.5
71.18293	10.4
90.35221	9.4
96.96032	13.3
124.65269	9.7
137.02490	11.5
143.04652	10.6
174.48657	11.6
187.94269	10.3
208.51515	11.2
229.04366	14.0
439.17365	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	439.197
Annotation	Garajonone
Peak:m/z	Relative Intensity
55.01889	0.4
56.35180	0.3
59.01380	100.0
59.67516	0.2
60.01719	1.1
61.98839	0.4
69.55416	1.9
70.64416	0.3
71.01389	3.3
73.02953	1.7
77.31493	0.3
83.01385	0.8
85.02939	2.4
89.02454	0.7
95.01429	0.4
97.96723	0.3
98.19857	0.3
99.00880	0.3
101.02441	3.5
102.31265	0.3
107.14250	0.3
113.02441	1.5
123.08215	0.3
130.34274	0.3
136.01649	0.5
149.04564	0.5
151.04024	0.8
154.55157	0.3
161.04585	1.2
173.04539	0.3
191.05608	0.4
194.38345	0.3
202.06464	0.3
263.33585	0.3
305.12271	0.3
334.31503	0.3
361.16702	1.1
379.17590	4.6
397.18954	1.2
439.09628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91491	5.5
59.01383	37.7
61.98822	17.8
67.72280	4.6
69.54657	34.5
71.01357	5.0
78.95898	6.4
89.02439	8.0
93.03415	6.4
95.42827	4.9
96.96010	80.8
96.96972	21.6
98.19909	11.5
112.17405	4.4
114.20208	5.2
119.05072	5.5
120.85998	4.5
125.02457	6.6
125.25137	4.7
137.02451	9.9
141.67160	5.1
143.04625	5.4
149.02403	23.5
150.03221	57.6
165.01930	26.7
165.05562	53.7
173.04527	11.6
179.03430	6.8
180.04271	26.4
191.05576	16.8
195.06618	100.0
223.06047	15.1
233.06589	28.8
279.93021	4.7
327.72617	4.9
331.11874	10.7
391.14099	18.3
439.17429	53.9
440.17120	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	439.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99505	0.4
59.01377	1.5
61.43709	0.5
64.45397	0.5
66.25988	0.4
70.52779	0.4
71.01406	0.5
72.64227	0.4
73.02948	2.4
82.17048	0.4
93.03484	0.6
97.06581	2.4
103.03991	0.5
105.03478	1.7
106.04278	0.9
109.02965	0.6
111.00887	0.6
121.02968	2.4
126.58292	0.6
131.03485	4.5
133.01926	0.8
133.02951	21.2
134.03740	69.1
135.04572	9.4
137.02446	13.3
139.04012	4.6
150.03229	1.9
151.48547	0.4
162.03218	2.5
165.01883	0.6
177.01924	31.9
178.02702	100.0
179.03365	8.2
187.07855	0.5
213.09349	0.6
231.10257	8.7
275.09229	32.3
276.09518	2.6
307.11835	20.1
308.12170	1.8
439.16052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06760	0.3
59.01376	3.9
59.52333	0.3
59.56374	0.3
61.98833	3.3
70.97359	0.7
73.02941	1.0
73.37711	0.3
83.28223	0.3
95.04937	0.4
97.06586	5.1
105.03443	0.5
106.04256	0.5
121.02994	0.5
131.03511	1.4
133.02945	3.8
134.03737	100.0
135.04587	8.0
136.04866	0.4
137.02454	1.5
139.04041	0.4
177.01917	6.2
178.02705	20.0
179.03383	1.7
189.82686	0.3
223.13524	0.3
227.87810	0.3
231.10233	3.6
250.49863	0.3
275.09225	6.4
275.12030	0.5
276.09549	0.6
307.11850	79.1
308.12170	5.8
309.31659	0.3
402.90155	0.3
439.15750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22479	0.3
57.03443	0.3
58.25195	0.3
59.01377	30.6
61.98820	2.6
62.69841	0.4
71.01375	1.0
73.02967	0.4
85.02948	0.6
89.02451	0.4
89.73154	0.3
93.03451	1.3
96.96021	0.9
97.06589	5.8
98.20675	0.7
98.88585	0.3
101.02478	0.7
102.46212	0.3
105.03474	0.5
106.04230	0.8
125.57907	0.4
133.02948	4.2
134.03735	100.0
135.04581	9.1
137.02435	2.2
139.04027	0.7
177.01920	6.2
178.02704	18.8
179.03462	2.4
191.05586	1.0
205.03001	0.3
211.94930	0.3
231.10201	4.4
246.04929	0.4
271.59671	0.4
272.77274	0.4
275.09247	5.8
276.09650	0.4
307.11847	80.9
308.12180	6.1
439.16000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.2
64.00516	0.7
69.50390	5.3
71.01362	1.3
79.95741	1.2
83.05049	1.0
87.00860	1.0
89.02447	4.5
96.95985	1.5
109.02945	23.4
109.03682	1.7
121.02969	2.5
122.03735	3.2
130.21832	0.8
131.03537	1.9
133.02966	1.3
135.04494	1.2
137.02443	1.5
146.03734	3.4
146.07237	1.1
147.04543	1.2
148.05278	2.3
149.04558	22.9
158.03738	7.8
159.04530	12.3
163.03976	1.5
172.05284	4.7
173.06070	9.7
174.06860	3.5
175.07628	3.2
184.05289	3.7
185.06079	1.1
187.04094	4.4
187.07634	53.4
188.08052	3.8
197.06128	6.4
198.06779	2.0
201.05544	6.3
202.04552	1.9
202.06358	31.9
203.06784	2.5
203.10736	6.3
213.09206	29.1
214.09531	2.5
215.07062	1.1
216.07805	1.1
231.10246	100.0
232.10600	7.4
257.08139	1.8
263.12573	1.0
275.09238	83.4
276.09586	9.0
307.11826	3.7
407.13400	15.2
408.13892	2.3
439.10526	1.7
439.16364	1.0
449.16202	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25502	0.3
59.01381	0.4
62.96407	0.3
69.79015	1.0
78.95905	44.8
79.95727	0.4
89.02438	0.4
90.06778	0.2
96.96016	29.6
96.96966	100.0
98.20598	0.3
104.86888	0.2
108.05821	0.3
110.95817	0.3
121.60149	0.3
164.32368	0.3
167.53398	0.3
218.66675	0.3
222.07628	0.3
367.36844	0.3
439.08572	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	439.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67481	0.7
59.01379	92.0
60.01712	0.7
61.98820	2.2
65.55806	0.9
69.81953	4.3
71.01375	2.4
73.02949	0.8
81.03440	1.1
83.10813	0.7
85.02943	3.0
87.00893	1.2
88.98782	0.8
89.02448	1.0
93.03475	4.7
96.95998	4.2
97.06613	0.7
98.19976	0.9
111.04533	2.2
114.10827	0.8
123.04497	0.8
125.02428	1.5
126.31085	0.7
127.04075	1.0
129.22058	0.7
133.02963	1.4
135.04506	4.2
137.02412	2.2
149.02409	0.9
149.04494	0.7
150.03233	3.2
155.03539	3.5
161.02420	4.3
161.06113	0.9
165.01895	1.5
165.05580	2.8
166.31152	0.7
173.04535	19.7
173.06023	1.1
174.04855	1.0
175.03946	0.8
179.03453	3.0
180.04202	1.1
191.05603	29.2
192.06065	1.0
195.06647	4.3
233.06644	100.0
234.06949	5.1
281.70126	0.8
353.08777	3.1
379.16006	1.0
395.09567	1.4
439.11664	1.1
439.17432	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	439.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71464	0.2
55.83437	0.2
58.72538	0.2
59.01367	0.7
61.98821	0.7
62.96404	0.2
69.34994	0.2
69.35459	1.1
69.35887	0.8
70.99857	0.2
71.01421	0.3
78.95905	45.7
83.15280	0.2
89.02428	0.4
96.96071	6.3
96.96963	100.0
108.26620	0.2
112.98551	0.3
130.06165	0.2
132.04485	0.2
140.31401	0.2
152.52864	0.2
159.39001	0.2
182.75941	0.2
212.74321	0.3
302.72635	0.3
332.04965	0.3
333.95755	0.2
341.10864	0.4
439.08560	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25039	0.4
54.16159	0.5
59.01378	9.6
59.03183	0.4
61.98829	100.0
69.03482	0.4
71.01381	2.2
71.55121	0.4
73.02944	1.0
76.30066	0.3
85.02970	0.9
87.00887	0.7
88.98801	1.0
89.02446	5.7
96.96028	0.7
101.02469	1.0
111.00872	0.7
117.03506	0.4
125.02503	0.4
131.03531	1.3
137.08316	0.4
138.41420	0.4
143.05029	0.6
144.05423	0.5
149.04553	19.8
151.00536	0.5
159.04520	0.9
172.05348	0.8
173.04610	0.7
173.06079	1.0
174.06871	0.6
175.07706	0.4
187.04054	1.6
187.07640	7.5
191.05629	1.4
197.29572	0.4
201.05608	1.2
202.06349	3.8
203.10809	0.8
213.09262	1.5
215.07227	1.2
227.95322	0.4
231.10251	4.1
245.11908	0.7
263.12939	2.8
275.09213	5.4
289.10919	0.8
307.11835	5.7
331.11731	0.5
353.77951	0.5
378.06912	0.9
439.15952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03666	0.3
59.01380	0.3
70.95535	0.6
75.00942	0.2
78.95905	45.4
89.02443	0.3
89.92591	0.3
96.96065	7.0
96.96963	100.0
98.20638	0.3
105.09627	0.2
110.89931	0.4
113.02512	0.3
217.65860	0.3
264.52866	0.3
379.44998	0.3
439.08615	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	438.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49335	2.5
61.98832	100.0
71.09413	3.2
71.09758	5.8
99.92567	7.0
103.46825	2.9
121.52412	3.1
133.32233	2.7
191.05666	3.2
439.12482	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
61.98829	100.0
68.25872	0.4
68.86931	0.4
71.01366	0.5
83.01363	0.5
89.02450	0.4
101.02471	0.9
107.91258	0.4
115.26031	0.4
134.03763	1.6
155.35010	0.4
195.13899	0.5
307.11838	1.1
332.72922	0.4
375.20151	8.7
376.20746	0.5
445.60117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55763	0.7
63.03837	0.7
63.98913	0.7
69.44949	5.0
74.79626	0.7
78.95904	19.6
85.43642	0.7
90.98598	0.7
96.96016	0.8
96.96959	1.5
104.96072	0.7
110.38015	0.8
110.98540	10.0
152.99586	10.8
162.11604	0.8
167.01129	10.8
174.32108	0.8
185.02141	2.2
207.67828	0.7
262.04019	0.8
269.24850	100.0
270.25183	5.9
335.37323	0.8
412.22177	0.8
437.26727	26.0
438.26965	2.3
443.66119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.3
61.98829	100.0
69.66360	1.6
77.67539	0.2
77.68010	0.3
78.95898	0.7
80.05997	0.2
96.96024	2.4
96.96970	1.1
97.27838	0.3
98.19963	0.4
103.38649	0.3
104.01347	0.2
156.09502	0.3
170.41333	0.3
191.05591	0.3
248.42416	0.3
254.34958	0.3
376.09576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70417	1.4
57.62321	1.7
59.01381	100.0
61.98838	3.5
70.14034	6.6
80.51295	1.4
85.68681	1.5
107.44769	1.6
112.01666	1.6
113.84070	1.5
346.84949	1.4
349.17514	1.4
390.61066	1.5
437.14713	1.9
442.30005	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	437.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.8
57.93064	1.7
59.01379	39.3
61.01805	2.0
61.98831	17.2
65.76041	1.3
69.03453	10.6
71.01383	36.6
71.05017	1.8
72.99329	2.5
73.02951	11.8
81.03483	1.8
83.01392	5.6
85.02955	34.9
85.06020	1.3
88.98817	1.4
89.02451	2.5
93.03468	5.1
95.01395	12.8
96.96056	1.6
97.02982	2.3
99.00861	4.1
101.02438	23.0
102.05584	1.9
107.05000	1.6
108.02178	39.8
109.02956	85.2
110.03263	2.0
111.00887	10.6
111.08166	2.5
113.02448	15.6
119.05015	1.7
123.00887	7.6
123.04546	1.5
129.01884	1.9
133.02934	2.0
134.03789	2.7
135.04506	4.3
137.02477	2.3
139.11293	34.8
140.15314	1.3
143.03494	2.2
146.06454	1.4
147.03055	1.7
149.06117	1.5
151.04008	3.0
159.02931	3.3
160.01566	3.7
161.02417	6.0
161.04552	35.5
163.03996	4.2
167.03535	1.8
173.00894	4.6
173.04550	4.9
175.03966	4.3
176.02452	1.5
179.03491	5.1
183.10260	100.0
184.10619	5.0
191.05611	2.6
193.05095	3.7
201.65143	1.5
209.02998	2.0
209.11786	1.8
242.17857	1.4
271.08185	5.4
275.09265	4.0
299.01846	1.8
311.15439	1.5
393.18597	1.5
437.13943	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	437.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03450	32.7
59.01379	25.9
60.01700	2.1
61.01795	1.8
61.98825	2.2
62.32266	0.9
68.99815	1.1
69.03470	1.7
70.79362	2.2
71.01383	40.0
72.01731	0.8
72.99319	1.2
73.02946	12.8
81.03454	1.0
83.01382	4.1
85.02953	29.8
86.03297	0.9
87.00883	2.6
88.54794	0.7
88.98806	3.1
89.02465	2.2
93.03464	1.0
95.01389	12.2
97.02938	1.9
98.19919	0.8
99.00869	5.3
101.02448	26.2
102.02789	1.0
102.66227	0.9
108.02175	37.6
109.02956	100.0
110.03288	3.3
113.02452	22.8
119.05057	1.3
123.00882	7.0
123.04476	0.9
124.01666	0.8
125.02437	4.6
125.06066	2.1
129.01987	1.2
134.03741	0.9
135.04521	1.7
139.11246	1.4
143.03517	4.4
145.02922	1.6
145.03987	1.0
149.99590	1.7
159.02992	4.6
159.04156	0.7
161.04558	47.0
162.04900	2.3
163.03996	2.1
167.03391	0.8
168.00645	4.2
175.04033	1.8
179.03470	0.8
183.10266	88.0
184.10596	4.5
193.04988	1.4
201.11234	0.9
205.03503	1.5
221.66444	0.8
225.11327	1.4
253.07178	1.6
271.08188	10.6
271.16943	0.7
276.11368	0.9
299.24103	0.8
327.14487	5.8
343.07040	1.8
372.03912	0.7
394.14383	1.3
437.18304	4.9
437.23648	1.7
438.10382	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	23.8
60.01702	3.1
60.38962	0.6
61.01805	0.8
61.98829	100.0
71.01389	1.1
71.54764	1.0
74.55032	0.5
79.95732	1.0
85.02988	0.8
92.32375	0.5
93.03482	1.1
96.96014	8.6
101.02482	1.1
121.83739	0.6
133.02855	0.7
135.04469	0.6
136.94965	0.6
163.04008	1.0
173.04538	1.2
191.05617	1.4
376.23792	0.7
436.23007	1.0
437.08945	4.9
446.98318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34899	0.4
60.44408	0.4
65.03949	0.8
69.63995	0.8
69.64405	1.5
71.01381	0.6
77.31799	0.4
79.05520	0.4
81.03457	1.1
89.02451	0.5
93.03465	4.9
101.02419	0.5
104.97589	0.4
108.02179	1.6
109.02950	8.6
118.17030	0.4
121.02950	2.4
122.03736	3.5
123.00852	0.6
123.04533	3.9
124.01668	0.5
137.02438	16.7
138.03233	34.9
139.04048	1.9
149.02437	1.6
161.02429	0.5
163.07719	0.4
172.05241	0.4
185.06064	0.5
187.07724	0.6
188.04744	0.4
189.05563	1.1
201.05534	0.7
213.05568	1.1
216.04262	1.8
231.06612	100.0
232.06952	5.7
232.09126	0.6
257.04553	7.7
258.04791	0.7
275.05554	3.5
309.54184	0.4
342.58179	0.4
401.14554	1.8
437.10889	50.6
438.11270	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	436.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.4
60.01730	0.6
61.98833	100.0
65.16194	0.3
71.01401	1.0
71.54768	0.4
73.88756	0.3
84.27613	0.4
85.02950	0.8
87.00893	0.4
88.34132	0.3
89.02467	0.4
93.03477	0.8
96.96019	0.3
101.02489	0.4
109.03018	0.4
111.00927	0.4
121.02987	1.0
123.04540	0.6
125.02441	0.5
129.01971	0.5
130.51912	0.3
135.04552	0.7
138.13594	0.3
160.01762	0.3
163.04100	0.4
167.03618	0.6
173.04594	0.9
179.03528	0.6
191.05574	0.6
226.67978	0.3
231.06718	0.5
275.14218	0.7
329.61923	0.3
342.07089	0.4
373.26840	0.3
396.17603	0.4
413.58405	0.4
424.12369	0.4
436.09671	0.5
436.19632	0.5
437.10934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70456	1.1
58.02971	11.8
58.99590	3.4
65.37183	1.2
68.05041	1.3
70.03380	3.3
72.00893	1.3
74.02473	24.2
82.02945	2.5
84.04537	1.4
84.26805	1.1
84.44113	1.1
86.02470	11.7
86.08631	1.0
86.99117	1.3
87.05650	6.3
90.00184	2.2
91.64684	1.1
96.96035	1.8
97.04062	2.7
99.05637	20.7
101.07221	2.2
102.05598	3.6
107.06131	1.5
109.04075	2.8
111.04526	1.6
111.05638	2.2
112.04058	2.5
116.01704	1.4
123.05603	2.3
125.03500	2.6
127.05125	4.2
128.03535	59.8
129.03835	1.5
135.05644	4.9
137.07213	2.9
141.06682	4.3
143.04616	77.5
144.04927	1.8
145.06177	3.5
146.04619	7.8
153.06693	5.1
155.08240	1.8
160.00722	11.4
166.09813	3.6
167.04619	5.7
167.08220	4.2
171.07745	1.2
177.03394	4.8
179.04597	16.6
181.06133	2.1
185.05603	2.5
192.07738	2.5
197.05679	2.2
210.08853	17.4
242.07771	2.5
254.07803	17.7
272.08871	27.3
273.09125	2.0
288.06558	7.2
306.07639	100.0
307.07834	5.2
332.09164	2.6
436.13934	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	436.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.7
61.98816	0.7
68.94199	0.4
69.03464	2.9
69.30408	4.1
71.01385	0.6
76.83109	0.4
78.03496	0.6
79.01887	1.1
81.03439	0.9
83.01401	1.6
85.02944	1.9
87.00871	0.6
93.03427	0.7
95.01387	1.8
96.95979	0.5
97.02942	2.5
107.01382	2.1
108.02212	3.3
110.49611	0.5
121.02949	0.9
122.02479	14.2
122.03368	0.7
123.00874	6.9
123.02805	0.7
123.04533	1.2
124.01667	18.6
125.02451	47.7
126.02765	1.1
132.15468	0.4
133.02925	0.5
135.04503	0.5
136.01584	0.5
137.02458	5.9
149.02429	0.8
149.99590	31.9
151.00374	2.7
151.03966	0.6
153.01976	0.7
161.02428	0.5
163.03946	0.8
165.01964	0.9
167.03491	1.5
168.00642	60.2
169.01389	5.8
169.91835	0.5
173.04567	0.8
175.74956	0.5
179.03502	0.8
193.01407	0.6
195.03050	0.8
199.02649	0.5
205.01344	0.5
211.02444	0.8
223.02579	1.0
241.03532	2.9
313.05701	5.0
314.05765	0.6
376.10217	0.7
418.07788	2.7
436.08829	100.0
437.09271	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	435.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02984	5.0
59.01376	100.0
61.98822	11.3
70.44643	5.4
70.44983	9.6
71.01379	53.1
72.99310	6.8
73.02953	6.5
74.02481	9.4
75.28763	3.9
85.02969	15.1
87.00874	12.1
89.02441	81.2
90.80994	3.6
92.92792	18.9
96.96041	4.9
99.05597	4.3
101.02439	35.4
103.03984	7.0
113.02446	24.4
117.03436	7.1
119.03518	33.4
119.05020	4.6
128.03540	15.2
131.03477	4.8
143.03603	9.6
143.04626	22.1
145.02962	35.2
146.03700	10.2
147.04536	10.7
149.02443	13.3
150.03239	29.1
160.00781	6.2
161.02463	40.8
161.04515	15.5
162.03209	52.1
164.04802	7.0
165.05576	53.9
177.05544	41.4
179.05684	30.0
180.04272	13.6
191.05623	20.3
195.06613	39.8
209.19893	3.7
254.07890	8.1
272.08990	12.9
273.50882	4.1
295.10437	6.4
306.07657	43.5
327.10834	10.9
327.57584	4.3
355.86133	4.2
357.11957	30.6
358.11957	5.9
375.05737	4.5
375.13049	6.9
435.12784	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	435.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01704	0.8
60.86201	0.3
61.25642	0.3
61.98844	0.4
66.51568	0.4
66.64944	0.3
67.18704	0.3
68.45054	0.4
71.01382	3.5
71.09496	0.8
72.66460	0.4
73.02940	1.0
79.97565	0.3
81.82289	0.4
83.01402	0.9
85.02956	1.9
87.82254	0.4
89.02455	1.0
99.00920	0.4
101.02437	3.3
109.02903	0.5
113.02463	1.4
129.19119	0.4
159.03040	0.7
161.04568	2.8
177.01984	0.5
189.01955	0.7
191.05707	0.8
217.01588	0.7
219.89996	0.4
258.60358	0.4
302.59262	0.4
341.06659	1.3
375.23862	9.2
376.24377	0.5
384.16455	0.4
399.15988	0.4
419.22806	0.9
435.10806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	3.0
59.01377	4.4
60.57604	1.1
61.98833	1.7
71.01388	3.8
71.07641	1.6
71.07970	1.5
85.02964	1.8
87.00885	4.8
92.47704	1.1
96.96021	5.4
101.02444	2.4
110.95510	1.2
121.03013	2.6
122.03722	1.6
123.04490	1.5
125.02415	5.3
127.31542	1.1
129.73074	1.3
137.06073	1.2
145.02954	2.4
147.04555	1.6
149.02449	31.9
150.03241	45.3
151.03656	2.4
153.01927	1.1
161.02455	2.6
161.04562	4.2
162.03189	2.9
163.04005	1.4
164.04790	15.2
164.07048	2.6
165.05585	100.0
166.05899	4.4
167.77461	1.4
177.05606	1.6
180.04282	4.2
183.02948	1.5
195.06633	30.7
196.06975	2.5
199.69420	1.0
241.00311	2.0
327.10867	25.8
328.11188	2.0
357.11993	1.7
420.86761	1.3
435.15097	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	435.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
59.01380	100.0
61.01343	0.8
61.98825	3.3
64.47039	0.8
69.70063	4.8
71.01382	12.9
72.99332	1.0
73.02943	5.1
75.94905	0.8
81.22884	0.8
83.01399	2.2
85.02953	6.6
87.00859	1.4
87.04510	1.6
89.02431	4.3
95.01377	1.2
97.02979	0.9
98.19933	0.9
99.00877	1.4
101.02444	9.9
110.01105	0.8
113.02435	5.2
118.43623	0.8
119.03455	1.7
129.01958	1.0
131.94780	0.8
148.01204	0.9
161.04533	2.1
173.04465	0.9
191.05603	1.1
313.16608	12.1
314.16772	1.1
355.17599	2.1
435.24417	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.8
59.01380	8.4
60.01719	1.0
61.98824	3.5
65.04527	0.5
68.99800	1.0
69.03445	1.1
69.25845	5.2
71.01367	0.9
80.02678	0.6
81.03448	10.0
83.01376	3.5
85.02930	0.7
93.03461	5.4
95.05020	10.1
97.02954	5.1
99.04499	4.0
109.02914	1.0
111.04514	0.9
113.02392	1.0
119.05033	7.0
121.02947	1.0
122.03694	0.9
123.04522	16.1
125.02445	21.3
135.04527	1.7
137.02455	3.5
137.06079	10.2
138.06401	0.7
139.03978	2.5
141.05548	0.8
147.04489	1.5
150.03047	0.5
151.00354	1.1
151.03941	0.7
155.03563	0.9
165.05565	7.2
166.02734	0.7
167.03490	48.4
168.03815	1.5
177.05557	0.9
179.03490	6.8
181.04997	1.7
187.07628	0.8
189.05551	3.9
191.03436	0.9
191.05794	0.5
193.01428	0.5
193.05000	1.8
197.04584	3.1
206.02184	0.8
207.02858	0.7
209.04529	13.8
221.04515	2.1
231.06439	0.7
239.05504	0.8
271.02448	0.7
271.10022	0.7
272.02887	0.7
273.03018	1.3
273.07626	8.3
274.08054	0.8
276.54007	0.6
285.07657	2.5
285.10739	0.6
300.02869	1.0
301.03271	1.4
302.03311	3.1
303.04086	1.8
315.08722	100.0
316.09039	9.5
327.08746	1.5
345.09784	23.9
346.10089	1.6
356.68304	0.6
357.09735	0.8
367.65671	0.7
374.40179	0.6
417.11765	2.1
435.08282	0.9
435.13089	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	435.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69684	0.5
59.01380	12.8
61.01797	0.5
61.98824	1.3
69.29628	2.2
69.30056	2.3
71.01377	1.5
73.02912	0.8
74.17886	0.5
81.03478	0.6
83.01403	0.6
89.02445	0.9
89.03960	0.6
91.59441	0.5
92.10361	0.5
93.03463	11.1
94.03772	0.6
95.05043	0.8
101.02457	0.9
102.98619	0.6
109.02951	15.1
117.03470	2.1
119.05028	2.3
121.02938	1.3
123.04531	14.7
124.04889	0.6
125.02384	0.8
133.02954	2.9
135.04536	1.0
137.02486	1.0
139.03983	0.5
145.02945	8.3
147.04514	4.1
149.02441	1.2
150.03210	1.2
151.04022	7.1
159.04504	1.7
161.02467	2.1
163.03983	1.5
173.02458	0.5
173.04541	1.3
175.98442	0.5
176.01176	0.9
176.55836	0.6
177.01926	26.3
178.02296	1.3
179.03529	0.7
187.04001	2.5
188.04738	0.5
189.01926	54.1
190.02654	12.7
191.03513	12.3
191.05545	1.9
192.04027	0.8
203.03511	6.4
203.07063	0.5
205.04951	0.5
216.00601	7.6
217.01402	38.8
218.01962	3.4
219.02977	14.6
227.07166	0.8
229.05046	0.5
229.08594	1.2
231.02998	11.5
232.03532	1.6
233.04485	1.1
241.05127	1.0
245.08092	1.1
269.04529	0.8
271.06119	3.2
281.04584	1.3
283.06110	2.2
289.07175	5.5
290.07553	0.6
297.07645	1.8
311.05521	5.1
323.05667	2.3
335.00146	0.5
341.06650	100.0
342.07043	10.1
378.21442	0.6
435.10843	43.1
435.26135	1.1
436.11227	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	435.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64385	0.4
53.93224	0.5
59.01149	4.9
59.01487	18.2
60.01807	0.9
60.33278	0.4
61.01878	0.7
61.98578	3.3
61.98941	13.7
69.29261	4.5
70.79993	0.5
71.01140	0.8
71.01512	1.4
73.03038	0.8
73.07555	0.5
82.25980	0.5
87.04660	2.8
89.02514	0.8
93.03604	10.2
95.05141	1.0
98.20745	0.6
101.02554	1.0
107.05180	1.3
108.02301	1.2
109.02307	1.0
109.03105	15.5
113.02544	0.5
117.03630	1.8
119.04408	0.6
119.05184	1.7
121.03120	2.1
122.03909	2.1
123.03713	0.8
123.04678	13.5
125.02578	0.9
133.02945	3.0
135.04616	0.8
137.02522	1.1
145.02937	8.0
147.04509	4.4
149.02524	0.8
150.03346	1.5
151.03995	7.3
159.04659	1.0
161.02611	1.8
161.04694	0.8
161.06139	0.7
162.03371	0.9
163.02789	0.5
163.04076	1.1
173.04733	1.4
175.04099	0.8
176.01253	1.0
177.01924	24.4
178.02338	1.1
187.04213	1.7
189.01923	50.5
190.02675	12.8
191.03493	11.4
191.05423	1.0
192.03957	0.8
199.13597	0.7
203.03476	5.3
203.07253	0.7
205.05135	0.9
212.44702	0.5
216.00627	8.3
217.01405	36.6
218.01985	3.1
219.02974	14.0
220.03406	1.1
227.07220	0.8
229.01550	0.6
229.05132	0.8
229.08690	3.4
231.02980	12.4
232.03714	1.5
233.04752	0.8
241.05196	0.9
243.06554	0.6
245.08281	0.8
255.06647	0.8
269.04825	0.7
271.06226	3.6
273.07770	2.3
281.04645	1.9
283.06158	1.8
289.07141	5.2
297.07755	2.0
303.21753	0.6
311.05569	7.2
313.06931	0.6
320.15170	0.5
323.05676	1.8
341.06638	100.0
342.06946	10.3
375.23553	0.6
391.19589	0.9
435.10748	41.0
436.11255	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43195	0.8
55.01890	1.1
57.03447	1.2
59.01383	31.4
61.98836	1.7
63.84331	0.7
64.32985	0.7
68.99812	0.9
69.03445	0.9
71.01380	8.0
71.54706	0.8
73.02951	3.1
79.95739	6.5
80.96510	3.3
81.03474	0.8
83.01406	4.1
85.02954	10.7
87.00881	1.3
88.98808	1.6
89.02454	2.3
93.03471	10.9
94.98088	0.8
95.01401	2.5
96.96014	100.0
97.02958	0.8
99.00894	1.7
101.02460	5.6
103.00400	7.2
108.02180	46.5
109.02967	25.9
111.00899	1.1
113.02447	3.3
116.92844	4.4
121.02963	1.5
123.00889	1.2
123.04527	2.2
125.02441	2.9
135.04486	1.5
137.02448	20.1
147.04573	1.4
147.05688	2.6
151.04030	1.3
152.01158	61.3
152.98599	2.1
153.01962	16.7
159.04543	0.9
161.04517	1.0
164.98633	3.1
165.01941	3.5
167.03496	1.1
170.62404	0.8
176.81299	0.8
179.03471	1.3
180.04219	1.1
180.98099	1.9
191.05602	3.8
195.06615	1.7
211.08745	1.0
225.07632	0.9
241.00171	3.8
269.65613	0.8
273.08777	2.7
281.06796	4.7
287.15036	2.6
291.72845	0.8
315.06683	6.2
315.10431	7.5
331.04996	2.3
332.07111	2.7
345.10934	3.4
349.05981	95.1
350.06378	7.6
375.16669	1.9
391.07001	38.2
392.07288	2.8
417.05078	1.1
435.09839	77.5
436.10037	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	435.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03430	2.1
59.01380	27.7
61.98835	1.2
63.94135	0.7
66.73310	0.8
66.84824	0.7
71.01388	8.6
71.54000	1.2
73.02930	3.4
77.95617	0.8
79.95736	6.7
80.96508	2.0
81.03453	1.4
83.01384	2.1
83.27445	0.8
85.02947	11.4
87.00893	1.4
88.98819	1.6
89.02441	2.7
93.03462	13.3
95.01381	2.1
95.52853	0.7
95.95235	1.0
96.02801	0.7
96.96013	100.0
101.02446	7.0
103.00372	8.0
108.02177	49.6
108.83025	0.7
109.02971	26.1
110.03318	0.8
111.00920	0.8
113.02462	3.2
115.92097	1.2
116.92857	6.1
119.03548	1.1
120.10288	0.8
121.03000	2.5
123.00928	1.0
123.04542	2.0
125.02487	1.4
129.01927	1.2
134.03773	0.8
135.04565	1.6
136.01648	1.3
137.02441	21.4
147.05666	3.0
150.97150	1.3
151.04024	2.1
152.01154	62.3
153.01958	19.1
161.04643	1.1
164.98692	2.7
165.01956	1.9
167.03554	1.4
179.03598	2.7
180.04321	1.5
180.98119	2.1
191.02060	2.1
191.03688	0.9
191.05670	2.6
195.06642	1.8
225.07645	1.3
227.12898	1.1
241.00145	3.8
271.02768	0.9
273.08884	1.7
281.06741	5.8
287.14853	3.7
315.07437	5.7
315.10541	6.0
331.04901	1.9
332.07449	1.6
345.10886	1.3
349.05988	83.3
350.06241	6.0
375.16763	1.0
391.06998	36.5
392.07825	2.9
417.05371	1.2
435.09814	78.5
435.22723	2.3
436.10080	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	434.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.0
61.98824	4.5
70.25330	0.9
71.54259	1.0
71.54670	1.1
79.63496	1.1
112.59223	1.0
118.10062	1.0
125.87281	1.4
126.88153	1.6
136.03557	0.9
172.03413	0.9
232.10851	3.2
256.47308	1.1
272.27374	1.0
286.06967	1.0
289.17844	1.1
290.18808	1.6
326.88934	1.0
365.00125	2.3
374.24445	100.0
375.24799	8.9
434.07092	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89010	0.3
54.92770	0.3
55.01894	0.4
57.03443	0.3
59.01383	2.9
61.98824	0.8
65.16480	0.2
71.01398	1.6
71.01719	0.3
72.99300	0.4
73.02943	1.0
74.99093	0.6
75.40408	0.3
76.72136	0.2
79.95734	3.4
80.96522	1.5
83.01385	0.3
85.02953	1.6
87.00883	0.9
89.02443	0.8
93.03442	0.6
94.98087	0.3
96.96013	100.0
98.20734	0.7
101.02458	1.8
113.02460	0.9
121.02942	0.3
122.97587	0.8
123.04472	0.4
125.02448	1.1
134.03748	7.0
135.04311	0.3
136.99178	0.5
137.02455	2.0
137.03358	0.3
138.97075	1.4
139.04028	0.5
149.02515	0.5
149.06067	2.7
150.97063	0.6
152.96739	0.3
152.98637	5.7
161.02499	0.5
165.01988	0.5
166.02695	0.8
167.03543	0.7
173.04504	0.3
175.04077	0.4
178.02719	6.1
179.03262	0.3
180.98114	2.1
186.94728	0.3
191.05630	0.8
193.05052	12.9
194.05377	0.7
195.03012	0.6
199.04008	0.6
217.05092	0.5
218.59436	0.3
223.37299	0.3
229.24078	0.3
241.00232	64.6
242.00475	2.0
243.02847	0.3
285.04050	2.5
299.07855	0.6
334.11987	0.3
340.86911	0.4
435.05978	35.1
436.06332	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	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52240	0.5
57.03450	0.7
59.01380	47.4
60.01717	4.0
61.01813	0.6
61.98830	100.0
62.99962	0.5
63.02423	0.7
65.00340	0.8
67.01886	0.8
71.01382	3.5
71.55296	0.7
72.01717	0.7
73.02963	1.6
83.01385	0.8
83.05045	0.7
85.02967	2.3
87.00883	1.1
89.02435	3.4
93.03453	3.1
99.00801	0.6
101.02419	2.7
102.02822	1.0
113.02473	2.2
119.03525	1.2
119.05048	1.7
119.74263	0.6
120.05428	0.8
125.02479	1.2
125.82446	0.5
129.86812	0.5
142.08965	0.5
151.00356	4.1
152.00699	1.7
153.01904	0.9
161.04613	1.1
173.04573	1.3
191.05626	9.3
192.06007	2.8
260.10205	1.2
271.06036	3.2
272.06384	7.3
286.07162	0.8
300.02872	1.1
301.03354	1.5
303.21814	1.8
313.06223	0.9
314.06488	1.0
323.71439	0.6
358.96103	0.5
374.22781	0.6
390.19019	0.8
434.11267	3.4
434.25366	0.7
435.11844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
57.07198	0.3
59.01381	13.4
60.01713	0.7
61.98838	0.5
62.86877	0.3
68.85917	0.3
69.63699	1.9
71.01389	1.2
73.02925	0.5
73.30965	0.3
73.81474	0.3
78.03500	2.0
79.05531	9.3
79.95755	0.8
81.03456	7.0
83.01386	0.5
85.02946	2.5
87.00892	0.4
88.00433	0.4
88.98810	2.4
89.02451	1.4
93.03455	0.8
96.96011	6.9
97.29572	0.3
99.43534	0.4
101.02444	1.1
102.29227	0.3
103.00336	0.5
105.03464	5.6
112.05364	0.3
113.02442	0.6
119.05027	0.7
121.02921	0.6
122.02484	15.6
122.03787	1.1
123.04526	100.0
124.04878	3.8
125.02464	0.5
129.01917	0.4
135.04486	0.4
136.04056	0.4
137.02428	0.7
147.03102	0.3
147.04521	0.8
149.02437	28.6
150.02751	1.0
150.82954	0.4
161.02463	0.4
163.04056	0.4
165.05550	1.0
166.02747	0.6
167.03493	16.6
168.03830	0.5
191.01898	0.5
191.03496	0.9
193.01440	0.4
209.04567	0.8
215.70752	0.4
220.97562	0.4
276.73477	0.4
280.65088	0.3
311.07663	1.2
313.07297	0.3
314.07520	1.4
319.14056	0.5
331.04935	0.4
349.05981	7.3
365.69720	0.3
391.06998	2.9
434.10907	71.4
435.05847	1.8
435.11252	7.7
435.18143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
59.01379	100.0
60.01722	0.9
65.89850	0.3
69.48394	2.1
71.01376	2.8
73.02949	0.9
83.01377	0.6
85.02952	1.7
89.02461	0.9
101.02470	2.1
113.02466	1.3
119.03458	0.4
126.81046	0.3
132.28099	0.3
161.04568	1.6
167.22652	0.3
173.04520	0.4
174.39240	0.3
206.89700	0.3
259.09738	0.3
271.02530	0.5
285.06836	0.4
300.02835	0.5
300.16980	0.3
313.06418	0.7
373.22305	3.5
374.22830	0.4
417.48990	0.3
433.10614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
59.01379	100.0
60.01714	0.8
61.98829	0.4
71.01388	2.8
73.02964	1.0
83.01399	0.6
85.02967	1.1
85.10710	0.2
87.00907	0.4
88.17638	0.3
89.02455	1.0
91.06492	0.3
98.20655	0.8
101.02434	2.5
111.93715	0.3
113.02470	0.9
119.03557	0.5
159.03011	0.3
161.04555	1.6
173.04536	0.6
191.05603	0.4
229.10051	0.3
233.44844	0.3
271.02411	0.5
279.45251	0.3
283.06018	0.3
285.06781	0.5
300.02774	1.0
301.03391	0.6
312.05899	0.4
313.06351	0.7
360.48407	0.3
373.22302	3.2
374.23074	0.4
433.10587	0.9
433.24518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63501	0.3
51.71532	0.4
57.03439	0.5
59.01378	100.0
60.01716	1.0
70.95951	0.4
71.01382	5.4
73.02962	2.4
83.01403	1.6
85.02961	3.8
89.02441	1.2
95.01402	0.6
95.50193	0.5
97.02950	0.7
99.00900	0.4
101.02441	5.7
107.01408	0.5
107.61126	0.4
113.02454	2.9
116.63457	0.4
119.03572	0.5
119.05021	3.0
119.41132	0.4
125.02470	0.9
137.02388	0.5
143.03577	0.6
151.00397	1.3
161.04581	2.5
165.01959	1.0
193.01411	2.2
208.99828	0.4
227.16533	0.9
271.06201	1.0
271.19250	0.9
313.07162	6.8
343.08179	1.6
373.22375	1.7
391.23318	7.9
392.24005	0.5
433.11450	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	433.2357
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01384	0.5
61.98818	0.3
62.96404	0.2
71.30729	0.4
76.32465	0.2
78.95901	50.9
90.01750	0.2
96.28165	0.2
96.96958	6.2
150.98015	1.6
152.99579	100.0
153.99945	1.4
171.00626	4.3
209.32799	0.2
213.25635	0.2
234.07294	0.2
279.23352	0.9
293.35135	0.2
313.06012	0.2
365.01318	0.2
433.10767	0.4
433.17578	0.5
433.23535	8.9
434.24237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.4
61.98830	1.4
62.71544	0.4
78.95904	69.9
94.10927	0.4
96.96970	5.7
98.19857	0.8
150.97978	1.6
152.99583	100.0
153.99936	1.4
157.25581	0.4
171.00600	3.2
185.49005	0.4
229.10698	0.5
271.02585	0.4
279.23181	0.8
300.02798	0.9
301.03534	0.8
311.05594	1.5
312.06039	0.9
313.06213	3.3
343.07312	1.2
433.10886	4.6
433.23550	15.5
434.23767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45830	0.5
53.18782	0.5
57.03448	0.7
59.01381	100.0
60.01709	1.1
61.98835	1.1
70.91402	1.5
71.01382	6.8
73.02954	2.9
78.29562	0.5
83.01401	1.8
83.79276	0.5
85.02966	2.9
87.00890	0.7
89.02441	2.6
93.03474	1.3
100.15871	0.5
101.02446	5.3
102.25456	0.5
113.02457	2.9
119.03492	1.1
125.02439	0.6
130.41124	0.5
131.03514	1.3
137.02444	0.9
143.03470	0.6
161.04567	3.6
163.08206	0.6
203.05658	2.0
217.72037	0.5
221.06747	1.5
257.66763	0.6
263.07709	0.9
271.19250	2.7
300.02841	1.5
313.16608	1.0
331.17621	4.5
373.18716	1.6
433.07687	0.8
433.24387	14.3
433.29883	1.0
434.24835	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	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	0.5
58.33316	0.5
59.01378	100.0
60.01711	1.4
61.98838	0.5
69.20081	5.2
71.01381	9.6
73.02945	16.1
81.03464	0.5
83.01378	4.4
85.02973	2.2
87.00891	0.6
87.04512	8.0
89.02450	3.5
95.01427	0.5
98.19862	0.9
101.02440	17.4
113.02439	6.4
119.03520	2.1
125.02431	0.8
131.03491	1.8
143.03516	2.3
149.04556	3.6
151.00409	0.7
155.03424	0.6
155.56241	0.5
161.04532	6.1
191.05650	1.2
203.05673	0.5
215.07043	0.5
221.06613	1.0
271.02429	1.0
283.06107	0.5
284.06671	0.6
285.06577	0.9
294.47186	0.5
300.02634	0.8
301.03351	0.7
311.05298	0.6
313.06253	1.3
318.54303	0.6
343.07233	0.7
373.22379	2.1
389.10779	0.8
433.10074	2.2
433.15533	0.5
433.20599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01727	0.9
61.98840	0.4
63.02390	0.7
65.00335	1.0
65.85940	0.4
69.46053	0.7
69.46466	2.0
71.01379	2.1
73.02931	0.7
83.01382	0.8
85.02953	0.9
89.02462	1.3
91.76920	0.3
98.19901	0.7
101.02452	1.0
107.01405	1.3
108.02209	0.4
109.02973	0.8
112.25456	0.4
113.02477	1.0
121.02956	1.3
125.02424	0.3
148.01666	0.9
151.00372	6.7
161.04543	0.7
163.00331	1.2
164.01059	0.3
167.03435	0.4
178.99881	3.3
179.05626	0.4
201.05478	0.4
209.04573	1.6
211.03989	1.1
214.85741	0.4
215.03516	0.4
226.02751	0.7
227.03598	1.8
243.02983	4.3
245.04517	0.8
254.02159	0.6
255.02995	9.7
256.03375	0.7
271.02484	21.0
272.02887	1.9
273.04025	0.8
283.02393	1.0
299.01947	0.4
300.02747	36.3
301.03513	29.4
302.03912	1.8
331.17453	1.2
373.18692	1.0
433.07721	19.8
434.07935	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46150	0.2
58.44630	0.2
59.01382	100.0
60.01718	1.1
69.39315	2.0
71.01395	0.9
73.02964	0.6
78.17810	0.2
85.02985	0.6
89.02430	0.5
98.19959	0.5
101.02436	0.7
107.84439	0.2
113.02520	0.6
167.46803	0.2
181.57829	0.2
201.01141	0.2
216.52751	0.2
271.02515	0.5
300.02716	0.6
331.17847	0.4
433.07990	0.3
433.15332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64209	0.3
55.50028	0.3
59.01380	100.0
60.01718	0.7
67.77482	0.3
69.36916	2.0
71.01382	0.3
71.02773	0.3
89.02451	0.4
101.02483	0.6
103.35393	0.3
113.02453	0.4
129.74315	0.3
147.12755	0.4
159.20517	0.3
167.03575	0.4
201.43066	0.3
331.17813	0.6
433.24704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44485	0.5
59.01379	73.8
60.01723	1.0
64.14621	0.4
65.00331	1.0
69.68295	1.1
69.68707	2.0
70.04486	0.5
71.01392	1.6
72.43528	0.5
73.02966	0.6
83.01413	1.0
85.02947	0.8
89.02449	1.3
89.27943	0.5
93.03445	0.6
101.02445	1.4
107.01384	2.2
108.02180	1.4
109.02997	0.7
113.02460	0.6
121.02947	1.9
135.00894	1.1
137.86096	0.5
148.01674	1.5
151.00372	7.0
159.04413	0.6
163.00381	2.5
164.01151	0.7
176.65401	0.5
178.99872	3.3
179.05516	0.5
193.01538	0.5
193.30815	0.5
203.03548	0.6
211.04083	0.8
215.03429	0.8
216.04344	0.6
226.02766	1.7
227.03566	3.3
227.07033	2.4
243.02988	10.0
244.03560	1.0
245.04620	1.1
253.05055	1.1
254.02228	2.3
255.02977	25.3
256.03284	1.4
271.02478	52.0
271.05826	2.5
272.02930	4.0
273.03943	0.7
283.02505	1.0
283.05768	0.6
285.06607	0.9
299.01926	0.9
300.02728	100.0
301.03427	33.7
302.03815	1.3
311.05688	0.6
312.06018	0.7
313.06500	2.1
433.07669	63.1
434.07962	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29493	0.9
50.72195	0.9
59.01373	2.9
59.05185	0.9
61.98824	1.3
65.97137	0.8
70.84962	0.8
79.48476	0.9
79.52572	0.9
80.05056	3.9
85.47437	1.0
91.71851	1.0
92.05049	1.1
93.03446	0.9
94.06606	6.7
94.34316	0.8
95.03745	1.6
96.00877	1.0
96.08185	2.2
97.01688	3.5
98.20712	1.3
104.05051	2.4
106.02956	1.6
106.06615	3.3
107.03742	1.0
108.04546	2.3
109.01683	1.0
109.02920	1.6
109.05328	2.5
115.78552	0.8
117.03450	1.5
120.04538	7.4
121.05310	2.0
122.06115	31.5
124.04047	1.8
124.07678	35.8
125.07987	1.3
136.04037	10.0
138.05582	2.5
140.07150	3.0
145.02933	3.0
148.04042	63.0
149.04402	2.0
150.05602	24.0
151.05962	1.5
152.07132	2.0
166.05084	16.2
168.06686	5.0
194.04607	2.3
210.03998	3.0
213.06633	1.1
215.08244	0.9
227.08249	1.4
228.09015	1.2
229.13406	2.3
231.11349	7.2
241.09775	2.5
243.11432	4.4
245.13023	1.2
255.11337	2.5
271.02362	1.4
273.12442	35.9
274.12836	2.5
275.10355	1.0
285.06662	1.3
290.12643	1.4
291.13522	37.8
292.13904	2.6
300.02750	1.2
313.06143	2.7
317.11395	14.2
334.11710	3.3
335.12457	100.0
336.12753	8.9
389.20767	7.8
433.10278	1.8
433.19812	20.4
434.20276	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	433.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.2
61.98826	1.7
69.65421	4.2
80.05038	5.3
92.05084	0.8
92.44225	0.8
94.06617	7.9
95.03740	0.9
95.06944	0.8
96.08174	2.5
97.01683	3.6
98.02465	0.8
98.06138	0.8
103.18254	0.7
104.05050	2.2
106.02960	1.9
106.06618	3.3
107.03757	0.8
108.04543	3.7
109.01704	0.8
109.02931	2.0
109.05322	2.5
117.03476	2.3
118.03818	0.7
120.04552	6.1
121.05336	2.1
122.06120	28.3
123.04475	1.3
123.06953	1.0
124.04039	1.1
124.07683	36.9
125.08041	1.4
136.04039	9.1
136.07671	1.7
138.05574	1.7
140.07173	3.5
145.02942	4.6
148.04042	60.4
149.04509	2.7
150.04457	1.5
150.05602	21.4
151.05862	0.7
152.03491	1.7
152.07167	1.6
153.04335	1.0
166.05075	16.7
168.06676	6.5
178.12349	2.0
194.04524	2.7
210.04016	3.5
213.06726	1.0
214.07524	0.8
215.08293	1.3
215.11900	1.2
226.18799	0.8
228.09067	1.1
230.10614	0.7
231.11368	6.5
241.09814	1.4
243.11299	3.6
245.12886	0.9
255.11325	2.4
259.10886	1.6
271.02487	1.1
273.12442	37.4
274.12769	2.4
274.33002	0.9
285.06549	1.6
290.12793	1.9
291.13483	36.3
292.13901	1.7
300.02765	2.3
313.06247	2.7
317.11380	10.3
334.11734	3.2
335.12460	100.0
336.12857	6.9
361.06860	0.8
389.20731	9.1
433.10150	2.4
433.19781	20.2
434.19989	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	433.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28632	0.5
52.42464	0.5
55.01863	1.5
57.03449	4.4
58.00604	1.0
59.01380	100.0
60.01703	0.8
61.98837	1.8
64.26327	0.6
65.00336	0.9
65.99916	0.6
68.92916	0.6
69.31093	2.7
69.31519	2.1
71.01383	29.3
72.99319	1.8
73.02945	6.5
75.00877	0.7
81.03484	1.0
83.01392	5.2
84.02213	0.6
85.02456	1.1
85.02951	17.1
87.00858	3.0
89.02445	18.9
93.03460	2.8
95.01379	2.1
95.62232	0.5
97.02943	0.8
98.19865	1.0
99.00845	3.1
101.02446	18.4
105.01925	2.3
107.05020	0.7
108.02160	1.2
109.02979	1.2
111.00852	0.6
113.02454	11.0
114.02766	0.7
117.03468	1.1
119.03510	6.4
119.05011	4.3
120.33353	0.6
121.02998	1.3
121.10225	5.6
122.02473	0.7
123.04500	2.7
125.02447	25.2
126.23799	0.5
129.01942	3.8
131.03485	1.0
135.04463	0.9
137.02425	1.9
142.73885	0.6
143.03479	0.9
145.02968	4.3
149.02406	2.5
151.00291	1.5
151.04083	0.8
152.01123	1.0
159.02969	1.0
161.02454	1.1
161.04570	5.0
163.00281	0.8
163.03912	1.1
165.01878	1.6
165.09146	1.9
167.03476	1.4
167.10762	1.4
173.00841	0.8
179.03474	0.6
179.05556	1.1
183.10211	1.1
191.01906	1.8
193.01434	2.9
196.03737	1.3
211.06049	1.9
251.05469	0.8
271.06015	0.8
301.16208	0.7
307.08130	1.4
313.07242	10.3
314.07419	0.8
325.14349	0.7
343.08261	3.8
345.15543	32.1
346.15936	3.1
373.18488	0.9
377.41080	0.7
433.11560	3.5
433.16785	40.2
434.11142	1.3
434.17172	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	433.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.9
59.01384	100.0
60.01718	1.3
61.98832	1.3
65.00321	2.5
69.80642	1.1
69.81052	2.8
71.01388	16.7
71.88735	0.7
72.99356	0.9
73.02953	27.8
83.01398	10.1
85.02959	6.5
89.02451	7.9
93.03478	4.6
97.02962	0.8
98.19965	1.1
101.02453	24.8
107.01400	6.6
113.02470	6.2
119.03501	2.7
119.05032	16.9
122.03725	1.3
125.02448	1.9
131.03510	2.1
141.45421	0.9
143.03487	2.2
149.04539	1.4
151.00392	16.9
152.00700	0.9
161.04521	4.8
167.10793	1.8
170.74922	0.7
177.01964	2.8
182.65663	0.8
185.11824	0.9
191.05542	1.6
221.06653	0.8
268.47559	0.8
271.06140	49.5
272.06427	4.6
300.02805	4.4
301.03467	1.2
313.07022	1.0
347.17307	1.8
373.18896	1.0
389.18137	16.6
390.18561	1.4
433.07690	2.2
433.25061	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1147
Annotation	Naringenin 4'-O-galactoside
Peak:m/z	Relative Intensity
57.03396	0.7
57.33708	0.5
59.01312	30.5
60.01654	0.7
61.98764	2.9
63.02344	1.6
65.00259	4.4
69.27857	1.0
69.28261	3.1
71.01382	2.9
73.02951	4.2
83.01390	4.8
85.02879	1.6
89.02370	1.5
93.03453	9.1
101.02441	3.6
107.01389	11.0
113.02402	1.1
117.03432	1.1
118.03756	0.6
119.05025	32.2
120.05290	1.1
121.02885	0.4
125.02461	5.3
131.01390	0.4
137.02328	0.8
139.68375	0.4
142.06343	0.5
145.02882	1.8
149.02391	0.9
149.04549	0.6
151.00365	39.8
152.00603	1.7
161.02493	0.6
161.04550	1.1
163.00331	0.4
163.03940	0.5
164.01109	1.0
165.01840	2.0
169.01355	0.9
173.04491	0.9
175.00272	1.0
177.01944	5.7
178.99818	0.7
185.06067	0.8
187.03915	0.8
191.05620	9.0
192.05750	0.6
193.01289	0.7
227.07135	0.5
243.02859	0.5
255.02966	1.0
259.09741	1.2
268.03714	2.4
269.04178	2.1
270.04364	4.5
271.06110	100.0
272.06439	8.2
283.06055	2.6
284.06430	2.7
285.06677	4.6
295.06155	0.9
300.02618	2.2
301.03369	2.2
311.05499	2.3
312.05887	2.3
313.06271	10.1
323.05710	0.7
343.07394	2.0
387.97375	0.5
389.18286	1.2
433.10629	17.6
434.11139	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16356	0.5
57.03467	0.7
59.01379	12.7
59.01647	0.9
61.98859	0.6
63.54216	0.5
65.00323	3.9
69.03485	0.8
71.01386	4.0
73.02987	0.8
77.03997	0.9
79.01919	1.0
81.03485	2.5
83.01379	3.0
85.02981	2.3
85.58023	0.5
87.71608	0.6
89.02483	2.5
93.03459	5.0
95.01402	1.7
95.05016	0.6
97.02955	4.2
98.19855	1.3
99.00915	0.8
101.02477	2.2
105.03495	1.5
107.01393	4.2
109.02962	1.4
113.02494	1.6
117.03529	1.0
119.03635	1.6
119.05027	37.2
120.05410	1.0
121.02946	5.8
121.03605	0.6
123.00918	2.0
123.04552	1.9
125.02444	14.9
125.03320	1.0
126.02813	1.0
129.01927	0.6
133.02985	0.7
135.04492	1.0
136.01721	1.3
137.02429	3.1
143.05014	3.8
145.02945	3.2
149.02435	4.8
151.00369	12.2
151.04065	0.6
152.00653	0.9
153.01967	0.7
155.03473	1.0
161.02466	0.9
161.04639	1.1
161.06134	1.9
163.00381	6.1
163.04005	0.9
164.01125	2.2
165.01918	11.0
167.03523	2.6
174.31596	0.6
175.31766	0.5
177.01973	3.0
179.03545	1.9
185.06096	2.2
187.04047	3.6
190.99908	0.6
191.03532	1.7
193.01408	27.9
194.01743	1.0
199.07683	1.0
204.84035	0.6
205.01463	1.5
207.02989	2.2
219.02925	2.8
223.02521	4.2
227.07115	1.4
229.05058	1.2
229.39868	0.6
231.02957	0.7
241.08641	1.3
245.08160	1.1
269.08188	2.1
271.06107	8.9
283.06143	2.4
297.07523	0.8
313.07166	100.0
314.07513	8.7
325.07077	2.1
343.08215	26.9
344.08630	2.7
351.34583	0.6
355.08340	1.1
397.09668	0.6
415.10178	2.4
433.11313	24.7
433.20764	1.8
434.11807	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0772
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
57.34926	0.4
58.64391	0.4
59.01380	4.3
59.07354	0.5
63.02428	0.4
65.00324	0.7
70.10822	1.3
70.11238	1.0
83.74411	0.4
88.98837	0.5
106.94931	0.4
107.01393	1.4
108.02182	1.1
109.02937	0.5
121.02956	0.6
135.00906	0.7
148.01723	1.4
151.00348	6.3
163.00380	1.8
178.99835	3.0
183.04326	0.5
193.01414	0.6
211.03944	0.7
215.03340	0.5
226.02670	1.0
227.03453	2.3
227.07062	0.6
243.02940	8.1
244.03473	0.9
245.04652	0.6
254.02199	1.5
255.02960	18.9
256.03354	1.2
256.88873	0.4
268.13901	0.5
271.02454	45.4
272.02927	4.7
273.03955	0.8
283.02414	0.8
299.02005	1.0
300.02722	100.0
301.03406	24.0
302.03745	1.4
313.06335	0.7
343.08151	0.6
433.07681	59.2
434.08102	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	433.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	34.5
63.02383	1.3
65.00308	2.1
69.28158	0.9
71.01369	1.6
71.23231	1.2
83.01401	1.1
107.01412	5.3
108.02174	1.6
109.02954	2.6
121.02944	3.4
135.00833	0.9
136.93729	0.8
148.01675	1.9
151.00363	18.5
159.04520	1.1
163.00401	4.7
164.01134	1.4
178.99846	8.4
183.04483	0.9
187.03990	0.7
193.70560	0.7
199.03993	1.7
201.05574	0.8
211.03996	2.4
215.03542	1.2
216.04138	1.3
226.02635	1.0
227.03424	5.4
229.05080	2.0
239.03593	1.0
243.02948	13.3
244.03522	0.9
245.04549	2.3
254.02170	2.0
255.02962	34.5
256.03363	2.7
271.02454	69.9
272.02878	6.0
273.03979	2.3
281.88638	0.7
283.02380	2.0
299.02054	1.1
300.02719	98.8
301.03473	100.0
302.03772	8.0
327.11298	0.8
333.17691	0.8
409.28513	0.7
414.53583	0.9
433.07706	63.6
434.07983	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	433.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	46.5
60.01715	0.5
65.00334	1.0
69.39584	3.1
71.01363	0.6
73.02941	0.6
74.72715	0.6
83.01408	0.9
85.02944	0.7
89.35234	0.5
89.36436	0.5
93.03457	0.6
98.19783	0.5
101.02478	0.8
107.01390	2.5
108.02175	1.4
109.02950	2.3
121.02949	2.2
124.01641	0.5
135.00920	0.5
140.92432	0.5
148.01677	1.9
151.00369	11.6
163.00378	2.9
164.01132	0.8
174.03014	0.5
178.99878	5.7
190.99867	0.7
192.00682	0.5
198.03268	0.8
199.03995	1.6
201.05583	1.1
203.03532	0.6
211.04018	1.2
215.03406	0.5
216.04253	0.7
226.02711	1.9
227.03503	3.4
228.04018	0.7
229.05049	1.2
243.02983	11.2
244.03244	0.8
245.04532	1.4
254.02188	2.7
255.03006	29.6
256.03424	2.0
271.02487	60.3
272.02991	5.1
273.04074	1.0
279.26016	0.6
283.02585	1.4
299.02029	1.6
300.02759	100.0
301.03485	60.4
301.08438	0.8
302.03934	4.3
375.25195	0.5
433.07755	69.2
434.08121	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	432.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.6
60.03769	0.7
61.06881	0.7
61.98826	100.0
62.25397	0.7
70.72561	1.5
78.95898	9.6
85.47445	0.7
96.96943	1.2
97.91770	0.7
100.24837	0.7
117.03497	2.1
118.03800	1.3
119.05080	0.9
145.02974	3.0
146.03299	2.0
152.99577	16.6
153.00809	1.0
153.99916	3.0
161.02431	1.0
162.02812	1.1
163.04071	1.3
164.04356	0.9
247.70056	0.8
269.04333	1.4
270.04947	0.9
282.05069	2.2
283.06006	5.5
284.06427	12.4
296.06497	1.2
300.02927	1.1
311.05765	5.2
312.05908	20.6
312.09317	1.3
313.06100	1.6
324.05957	2.0
338.22083	1.0
341.06903	0.9
342.07056	6.2
432.10144	18.9
432.24722	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2203
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
57.21045	0.3
60.80072	0.2
61.98818	0.3
62.96407	0.3
70.84167	0.6
78.95905	54.0
90.15549	0.2
96.96967	6.1
130.67113	0.3
150.98016	1.7
152.99585	100.0
153.99953	1.2
171.00644	4.1
204.56067	0.2
277.21750	0.8
365.14590	0.2
431.22018	7.3
432.22339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20694	0.3
51.23127	0.3
55.01874	0.3
57.03439	0.6
58.96436	0.4
59.01379	100.0
60.01715	1.4
61.98836	3.2
66.54934	0.3
70.96876	0.7
71.01381	6.7
72.60783	0.3
73.02946	2.3
77.03986	0.4
79.01887	0.5
83.01405	0.9
85.02942	2.8
87.00864	0.6
89.02482	1.0
90.05290	0.3
93.03461	1.0
99.00895	1.1
101.02439	5.3
113.02435	2.5
113.70122	0.3
117.03459	2.1
119.05038	1.1
120.30099	0.3
125.02471	0.5
135.04518	0.4
159.02881	0.4
159.04483	0.4
161.02438	1.3
161.04555	4.6
163.04034	1.0
165.01903	0.3
182.56346	0.3
191.03853	0.5
191.05653	2.0
211.07683	0.3
239.07085	0.6
253.05167	0.3
257.08127	0.5
268.03738	0.5
269.04623	1.3
281.04459	2.0
282.05347	1.3
283.06119	10.9
284.06439	1.0
293.04779	0.7
295.06165	0.7
311.05612	18.9
312.05896	1.3
314.04239	0.3
323.05759	2.0
341.06619	4.5
342.07257	0.5
371.20743	6.5
389.21689	0.5
412.94730	0.3
431.09735	10.9
431.18353	0.5
432.10025	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48349	0.3
59.01383	33.9
68.00069	0.3
69.19260	3.5
71.43684	0.3
74.99091	0.5
87.00886	5.0
97.83412	0.3
102.98608	0.6
137.02321	0.4
265.16351	0.6
281.19464	10.2
282.19800	1.1
283.17386	34.5
284.17746	2.6
311.05594	0.6
318.76648	0.3
325.18411	0.9
343.19482	8.5
344.20020	0.5
369.21228	1.7
371.18869	2.7
413.20047	3.1
414.20142	0.5
431.21063	100.0
432.21402	10.9
432.27402	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25403	1.9
78.95905	67.2
86.63564	0.2
96.96961	4.8
143.81799	0.2
150.98033	1.8
152.99586	100.0
153.99977	1.3
171.00624	2.2
174.60661	0.3
232.68393	0.2
239.07845	0.2
260.21613	0.2
277.21805	0.7
431.22015	13.3
432.22388	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	431.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77032	0.2
56.98025	1.4
59.01379	5.0
60.97528	1.5
61.98829	4.4
62.28680	0.3
63.96230	2.1
67.74142	0.2
69.76649	1.6
72.99310	1.1
73.98313	3.0
74.99093	90.6
75.99429	0.6
85.02969	0.3
87.00869	1.2
88.98799	0.8
109.01189	0.4
115.89515	0.3
117.97334	0.5
118.98035	0.4
135.98352	1.2
136.99136	100.0
137.99527	1.5
166.08173	0.5
167.10719	0.6
196.34163	0.3
202.06305	0.4
205.12440	0.3
223.13350	0.6
238.10110	0.4
244.34509	0.3
256.11362	0.4
273.18085	0.3
293.21216	1.8
307.17429	0.9
311.05609	0.6
343.19583	0.9
345.15329	0.4
431.21039	16.6
432.21530	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01380	100.0
60.01723	1.5
61.98839	0.7
69.35955	1.9
69.36366	0.8
71.01380	3.6
71.05048	0.4
73.02959	1.8
81.03432	0.4
81.31281	0.3
83.01402	0.5
85.02976	2.0
89.02442	2.2
92.02187	0.4
98.20582	0.7
98.60929	0.4
101.02454	2.9
113.02480	1.8
116.07175	0.6
119.03528	1.1
123.04562	1.5
143.03503	0.4
145.02975	0.8
149.04559	0.4
161.04579	1.8
163.36932	0.4
167.03493	5.1
179.03571	1.1
179.05646	0.4
183.10306	1.2
225.62178	0.4
247.07370	0.4
269.14038	1.3
283.06100	0.4
329.16153	2.1
346.70389	0.4
353.69769	0.5
371.17087	1.3
387.16876	0.5
389.21631	0.6
431.09836	2.8
431.23630	0.9
432.10455	0.4
432.16754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99018	1.6
57.03452	14.7
58.00588	6.8
59.01380	100.0
61.98830	16.0
69.03454	2.7
69.41534	3.9
69.41954	8.6
71.01378	30.1
72.99312	3.4
73.02946	3.8
75.00858	2.6
78.49808	1.7
79.48258	1.7
83.01381	3.3
83.88282	1.6
85.02952	85.8
86.03315	1.8
88.40401	1.6
89.02453	11.0
89.98585	1.3
92.71949	1.6
96.24404	1.4
101.02422	12.8
103.03999	10.6
104.22892	1.7
105.01917	3.4
111.08178	2.7
113.02443	8.1
119.03472	7.6
121.06586	2.2
123.08150	4.8
125.06095	8.6
137.95293	1.7
139.07645	63.4
140.08060	1.6
149.06126	1.8
151.48009	1.4
161.04553	4.6
167.07124	39.8
183.10254	83.2
184.10544	3.8
197.11824	30.2
225.11310	69.0
226.11700	4.0
255.12344	13.9
265.09293	13.1
273.76392	1.8
278.45462	2.0
285.13388	10.0
329.15948	1.7
431.19171	76.5
432.19565	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	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74469	1.4
57.03457	13.8
58.00588	5.4
59.01382	100.0
61.98833	23.8
67.92522	1.4
69.03486	1.6
70.00694	6.2
71.01389	26.8
72.99331	2.0
73.02949	4.8
83.01394	2.4
85.02955	77.5
89.02440	14.5
98.20546	2.4
99.04507	2.5
101.02435	13.3
103.04004	12.6
111.08157	2.0
112.07470	1.7
113.02435	8.8
119.03493	5.0
121.06608	2.5
125.06098	6.9
139.07652	48.1
149.06030	1.6
158.95966	1.6
161.04568	3.6
167.05849	2.5
167.07149	33.6
168.34299	1.5
179.32980	1.4
181.58322	1.5
183.10260	75.0
184.10620	4.4
197.11812	28.1
219.86028	1.7
225.11299	59.3
255.12329	13.0
261.69983	1.8
265.09283	12.2
285.13388	11.2
345.15155	2.3
371.17059	1.7
387.16571	2.4
431.19183	73.9
432.19580	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	431.192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42357	0.3
55.01884	0.5
57.03439	1.0
59.01379	100.0
60.01708	1.0
60.04765	0.3
61.98824	0.6
68.28722	0.3
69.46027	2.0
71.01376	5.8
73.02939	3.2
83.01406	1.3
83.05006	0.4
85.02948	3.1
85.03313	0.3
87.00890	0.8
88.98817	1.1
89.02449	3.1
90.48345	0.3
93.03474	1.0
95.01404	0.7
96.21340	0.3
96.96004	0.7
99.00889	0.4
101.02438	5.9
113.02435	2.8
117.03480	1.2
119.03515	1.1
121.02950	0.5
123.04538	0.7
125.02454	4.5
135.04529	0.5
137.02454	1.6
143.03558	0.4
151.04050	0.8
159.03065	0.7
161.02483	1.6
161.04544	5.5
163.04105	0.5
165.05635	0.4
167.03517	0.8
168.00624	0.5
179.03510	0.5
179.05562	0.4
184.37114	0.3
189.01747	0.3
191.05621	1.2
209.08240	0.4
212.08058	0.3
212.96849	0.4
269.04321	0.6
269.06775	0.7
281.04657	1.1
283.06128	9.2
283.09134	0.6
284.06512	1.0
293.04492	0.4
295.06015	0.6
311.05615	14.8
312.06009	0.9
314.04044	0.5
323.02271	0.4
323.05804	1.3
341.06619	3.1
345.57913	0.4
355.12714	0.4
371.17145	7.9
372.17441	0.8
399.12149	0.5
431.09656	9.0
431.14844	1.6
431.19504	0.8
432.10226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40308	0.2
51.44751	0.2
52.31258	0.2
53.97516	0.2
55.01880	0.4
57.03451	0.7
58.00590	0.6
59.01377	100.0
60.01715	0.8
61.98826	0.6
71.01379	8.5
71.54474	0.4
72.01718	0.3
72.99319	0.6
73.02940	6.0
75.00872	0.3
77.03961	0.4
79.01904	0.6
81.03432	0.4
83.01384	2.3
85.02949	3.3
87.00883	0.9
88.98811	0.6
89.02445	3.6
93.03450	2.6
95.01394	0.6
99.00869	0.5
101.02438	8.4
109.02924	0.4
113.02439	3.6
117.03467	1.5
119.03485	1.2
119.05040	0.5
121.02956	0.9
123.04479	0.5
125.02441	4.1
131.03502	0.5
131.17627	0.3
135.04474	0.4
137.02444	5.3
143.03511	0.8
145.61995	0.2
149.04543	0.4
151.03986	0.4
152.16518	0.2
161.02426	0.8
161.04544	3.9
163.00481	0.4
163.03915	0.4
164.01181	0.3
165.01971	0.6
167.03459	0.6
168.00633	0.5
179.03482	0.5
179.05734	0.3
183.04437	0.4
191.05667	0.5
192.06010	0.2
197.05940	0.3
209.04564	0.3
239.07146	0.4
253.04994	0.3
269.04471	0.8
269.06750	0.7
281.04523	1.2
282.05264	0.6
283.06097	12.1
284.06409	0.6
295.06113	1.0
297.12231	0.3
311.05582	17.0
312.02557	0.3
312.05884	1.4
314.04370	0.4
323.05707	2.0
325.38507	0.3
341.06564	3.9
350.82776	0.3
353.06647	0.5
355.12885	0.5
371.17050	5.3
371.21515	0.3
372.17477	0.6
431.09775	12.3
431.14917	1.3
432.09836	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02390	0.8
57.03452	4.5
59.01381	100.0
60.01714	0.9
61.98839	1.3
68.38250	0.8
68.91906	0.9
69.03458	8.8
69.20176	1.4
69.20574	7.4
71.01377	6.1
71.05022	2.4
72.64590	0.8
73.02950	3.0
75.00883	1.1
76.47022	0.8
81.03436	3.1
83.01373	1.0
85.02959	8.5
87.00871	4.1
88.98804	1.1
89.02452	3.2
99.04520	5.1
101.02454	4.5
108.02187	1.2
111.08156	1.6
113.02448	2.5
113.06087	2.1
116.07174	2.0
123.04528	8.6
123.08147	1.0
125.02406	1.6
129.01924	1.4
139.11310	13.7
143.03546	1.8
147.02972	1.3
152.01215	1.1
161.04555	3.0
165.01810	1.0
165.05484	1.0
167.03491	28.3
168.03786	1.0
179.03563	5.2
179.05595	2.3
183.10269	68.1
184.10582	4.1
193.05017	1.1
203.05606	3.3
209.11897	1.1
220.59984	0.8
221.06538	1.1
239.05630	1.4
251.05559	1.9
283.06219	1.4
341.06494	1.3
345.15549	5.4
387.16534	10.5
422.77124	0.9
431.09924	13.3
431.18503	1.5
432.16730	1.6
446.11655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.6
59.01384	100.0
61.66336	1.0
69.03469	7.5
71.01395	5.0
71.05038	1.8
72.99309	1.5
73.02956	4.6
75.00882	3.4
81.03465	3.3
83.01382	2.5
85.02959	5.3
87.00888	4.8
89.02437	1.7
93.03498	1.2
93.27441	1.2
96.96048	1.7
99.04523	8.7
101.02466	3.0
107.01408	1.2
111.08172	1.7
113.02461	2.9
117.03435	1.4
121.02972	1.3
121.06605	1.7
129.02000	1.3
135.08127	1.3
139.11282	8.8
143.03520	3.2
151.11296	1.5
161.02464	1.3
161.04559	3.6
164.04742	1.8
167.03688	1.5
169.08731	2.1
183.10277	33.8
185.06055	1.6
201.11394	1.2
203.05618	1.4
207.14008	1.5
209.11813	2.7
221.15482	2.0
227.03513	13.0
227.07054	2.6
229.05042	2.8
239.12854	1.8
247.85738	1.3
255.02962	21.5
256.03760	1.8
257.04575	2.3
269.13968	4.5
283.06299	5.3
284.03317	20.3
285.04041	35.6
286.04507	2.2
311.05563	6.8
327.14520	2.5
341.06696	1.8
345.15512	9.1
387.16574	9.7
388.16803	1.8
414.95831	1.2
431.09799	22.2
431.23251	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	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64383	0.9
57.03434	3.5
59.01382	100.0
59.95890	0.9
60.01708	0.9
69.03464	6.0
70.63021	0.9
71.01373	8.0
71.05024	2.1
73.02963	6.2
75.00869	1.7
81.03451	2.5
83.01385	1.8
85.02951	8.3
87.00880	9.3
89.02448	2.9
96.96022	1.4
97.06586	2.6
98.20776	1.7
99.04520	3.6
101.02435	5.4
107.44690	0.9
111.08151	1.4
113.02430	2.5
117.03510	1.2
119.03549	1.4
123.04514	3.5
125.02448	2.0
135.04517	2.2
139.11333	8.8
143.03516	1.8
147.11758	1.8
149.02496	1.3
161.02521	1.2
161.04562	1.7
165.09030	1.1
165.12886	8.4
167.03514	8.7
179.03459	1.4
183.10262	62.4
184.10585	3.2
185.10880	0.9
194.77200	0.9
203.05609	4.8
209.11839	7.8
221.06610	2.0
227.12875	4.7
269.04214	1.1
281.04413	1.0
283.06113	5.9
311.05569	8.5
323.05032	0.9
341.06677	1.0
345.15359	2.4
369.22949	2.0
371.16965	5.8
387.16522	3.7
389.18167	7.5
431.09961	11.6
431.19070	16.0
431.24384	0.9
432.09686	1.4
432.19730	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	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01708	0.7
61.98833	10.4
69.75954	1.9
72.85251	0.5
76.11054	0.4
119.05096	0.4
125.02455	0.8
151.04013	0.7
161.02454	3.4
176.04823	1.9
179.03484	5.3
191.05632	0.5
191.07117	1.1
194.05843	6.0
197.95570	0.4
209.08180	19.4
210.08626	0.8
267.31500	0.5
283.06369	0.6
311.05627	1.0
322.81952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1556
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
53.11390	1.0
59.01377	69.2
59.38040	1.2
60.01710	1.1
61.98856	1.5
64.95690	1.1
68.16926	1.1
69.19128	8.6
69.19534	2.0
71.01379	36.2
72.99316	1.7
73.02943	14.4
83.01373	1.3
85.02959	6.7
87.00875	1.7
88.98824	1.3
89.02443	56.5
95.01371	1.9
99.00879	21.8
101.02441	21.3
113.02428	11.0
119.03506	7.4
119.05006	14.3
125.02440	4.4
131.03464	7.3
137.02368	1.3
137.06097	1.9
149.04556	20.2
161.02367	1.5
161.04507	1.6
179.05621	1.3
191.05632	6.8
194.05823	2.5
202.39894	1.0
209.08157	4.5
299.11465	5.7
311.37445	1.2
431.15555	100.0
432.15857	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	431.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44352	0.6
59.01110	0.8
59.01385	7.9
61.03749	0.6
66.08495	0.6
71.01383	1.1
76.02901	0.6
77.03967	2.0
79.01899	1.1
79.25832	0.5
85.65179	0.5
88.98830	0.7
93.03458	3.2
101.63371	0.5
111.04459	0.7
117.03458	8.0
119.05028	1.2
121.02954	100.0
122.03288	3.3
127.36063	0.6
127.37691	0.6
133.02936	2.6
134.03711	1.0
135.04504	4.3
136.03284	0.5
137.02467	1.8
149.02420	0.9
155.03476	0.7
159.04485	2.3
161.02431	4.5
163.00356	0.7
163.04044	2.6
165.01933	1.4
179.03494	2.3
183.04448	0.6
183.08182	1.1
191.05687	0.7
196.05295	0.7
197.06181	0.8
211.07544	1.1
215.07274	0.6
224.04709	0.9
227.03452	0.9
227.07219	0.8
237.05414	0.8
239.07120	1.9
255.02998	0.9
268.03787	2.8
269.04517	5.0
273.88599	0.8
281.04565	6.3
282.05267	4.1
283.06113	42.0
284.03296	0.9
284.06516	2.9
285.04013	0.9
293.04596	2.2
295.06104	4.3
300.08759	1.0
311.05594	71.3
312.05875	5.6
314.04254	1.6
323.05603	6.6
334.06964	2.8
341.06604	19.9
342.07010	1.4
353.06418	0.8
413.08652	1.5
431.09805	52.4
432.10208	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	431.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.4
61.98840	1.2
69.36755	9.0
71.01381	5.3
73.02943	1.7
75.00910	1.1
77.05623	1.0
81.03452	4.8
83.01376	10.2
85.02943	3.6
89.02456	1.7
93.03445	3.4
95.01373	1.5
95.05054	2.4
96.95981	1.1
97.02931	2.4
99.00868	1.9
101.02421	2.9
107.01401	1.3
107.05034	5.5
108.02175	1.3
109.02953	4.4
111.00880	9.9
111.04519	2.1
113.02444	2.8
117.08073	1.1
119.05025	2.5
121.02935	2.5
123.04527	9.4
125.02449	5.8
135.04529	9.8
137.02467	5.8
137.06061	3.2
139.04024	6.8
147.04533	1.4
149.02486	2.3
149.06070	4.3
151.03999	10.3
153.01938	3.9
161.06091	2.4
163.04025	6.3
163.05212	1.3
164.04759	2.4
165.01918	3.8
165.05585	3.2
167.03471	13.6
175.03995	2.1
177.01801	2.3
177.05566	11.4
179.03468	6.2
179.07080	1.1
181.04982	1.5
189.05536	3.5
191.01941	1.4
191.03465	5.1
193.05063	5.6
195.02966	8.9
197.04518	1.5
205.05017	2.8
205.81302	1.5
206.02206	3.7
207.02893	5.4
209.04541	15.4
217.01106	1.2
217.05045	2.7
219.03061	6.3
220.03790	2.0
221.04485	8.9
225.04092	3.1
233.04575	8.5
235.06056	2.2
237.04089	7.7
239.05577	3.1
248.03304	2.0
249.04025	42.8
250.04436	2.6
251.05571	23.4
261.03979	6.2
263.05560	2.6
267.04922	1.5
279.05084	100.0
280.05524	6.5
281.06702	5.5
291.05145	4.1
309.06137	29.6
310.06421	2.6
311.07706	3.4
323.07678	1.2
351.07150	1.1
369.08368	19.1
370.08505	1.7
372.80069	1.3
381.08197	4.1
399.09290	33.5
400.09723	3.1
425.41367	1.0
431.11661	12.4
432.12021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69435	0.5
59.01364	0.9
60.99306	12.9
61.75811	0.4
68.03042	0.5
71.53116	0.6
81.29888	0.4
85.02939	0.5
86.98142	0.5
87.00857	0.8
88.98804	100.0
89.02450	5.7
89.99137	1.1
94.62202	0.5
106.00419	0.5
116.49141	0.4
191.05598	1.5
194.70590	0.6
341.10883	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	19.9
61.98821	4.5
65.49528	1.3
71.01031	2.0
71.01372	11.4
73.02940	2.8
81.03477	3.8
83.01380	13.0
85.02951	6.3
87.17571	1.3
88.98802	3.5
89.02444	10.3
93.03477	9.9
97.02907	3.2
98.19831	2.0
99.00890	3.1
101.02438	4.7
107.05046	4.4
108.02164	2.0
109.02962	5.6
111.00892	8.6
111.04438	1.5
113.02454	3.4
117.39570	1.4
119.05020	3.4
121.02923	2.3
123.04535	9.6
125.02449	5.8
135.04529	12.1
137.02449	20.7
137.06107	3.1
139.04001	7.9
147.04532	2.3
149.02483	3.1
149.04503	2.9
149.06032	2.8
151.04001	11.9
153.01964	3.4
161.06047	4.0
163.03983	5.6
164.04773	1.9
165.01949	4.8
165.05554	2.7
167.03479	17.7
175.03972	2.4
177.05522	12.9
179.03506	5.8
189.05577	3.4
191.03499	4.5
193.05063	6.1
195.02966	6.4
197.04442	2.2
205.05078	4.3
206.02171	2.1
207.02974	6.0
209.04498	15.1
210.04808	1.5
217.05011	3.7
219.02946	5.0
220.03851	2.0
221.04553	10.1
225.04144	2.8
232.03813	1.5
233.04478	9.4
235.06049	1.9
237.03999	9.0
239.05499	3.6
248.03296	1.7
249.04016	51.7
250.04317	3.7
251.05605	22.8
252.05962	2.2
258.59146	1.4
261.04004	8.9
263.05685	2.3
279.05081	100.0
280.05441	5.5
281.06717	6.4
283.96619	1.5
291.05115	6.0
309.06161	28.8
310.06668	3.6
311.07703	6.6
369.08224	22.1
381.08139	5.6
399.04181	2.6
399.09314	37.6
400.09540	4.1
431.10867	13.6
431.16129	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	431.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81891	0.6
59.01377	100.0
60.01699	1.1
61.98838	0.7
65.00332	1.1
71.01387	6.0
71.02882	1.0
71.03225	1.3
73.02979	1.3
77.03970	2.1
79.01304	0.6
79.01917	2.0
83.01381	1.1
85.02944	1.4
89.02451	5.1
93.03457	2.5
95.57892	0.6
101.02441	4.1
105.03439	1.3
113.02456	2.6
117.03457	13.0
119.03484	3.0
119.05060	1.1
121.02984	2.2
135.04527	2.1
149.02428	1.5
159.04512	2.4
161.02461	4.3
161.04546	0.7
163.00391	0.9
163.03976	3.4
165.01904	1.1
167.92929	0.6
175.03909	0.9
177.01988	0.7
179.05623	1.6
180.05914	0.9
181.06410	0.7
182.03712	0.8
183.04506	1.1
183.08263	0.8
183.10213	1.8
187.07605	1.0
191.03586	0.9
197.05986	0.9
197.23572	0.6
200.76286	0.7
211.07597	1.2
215.07175	1.0
224.04863	0.8
227.03561	0.7
234.06190	0.6
239.07146	2.4
240.04369	0.9
253.05078	1.5
268.03760	16.8
269.04465	9.1
281.04538	8.1
282.05307	4.5
283.06100	62.7
284.06512	3.3
293.04489	3.0
295.06094	5.0
309.04135	1.2
311.05585	92.6
312.05930	8.9
314.04407	1.0
323.05609	8.6
324.06247	0.8
341.06644	21.4
342.06958	2.6
353.06586	1.4
387.10510	0.7
389.21786	0.7
413.08786	1.1
431.09793	70.4
432.10214	8.0
438.55002	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.098
Annotation	LMPK12110338
Peak:m/z	Relative Intensity
50.59575	1.6
52.61775	1.6
59.01383	8.7
70.03458	6.3
77.03949	2.1
101.23236	2.0
117.03473	10.4
119.04961	1.9
121.02972	3.6
130.04240	1.6
135.04495	2.4
161.02414	4.2
163.04007	4.0
168.46533	1.8
183.08228	2.4
193.87737	1.9
218.34930	1.8
218.78104	1.9
222.08632	1.8
233.20110	2.2
268.03653	3.5
269.04428	5.6
281.04526	9.9
282.05246	3.4
283.06134	56.1
284.06250	3.9
295.06079	4.2
311.05588	100.0
312.05896	6.9
314.04242	1.8
323.05582	6.9
330.68182	1.9
341.06610	31.4
342.07092	2.7
430.26843	5.6
431.09796	69.0
431.27087	7.0
432.10010	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	431.0979
Annotation	Vitexin
Peak:m/z	Relative Intensity
53.49708	0.9
59.01365	4.7
61.98821	1.9
70.08753	1.8
70.09142	1.8
70.42289	0.8
77.03972	2.3
79.01883	1.7
88.98797	2.6
93.03439	2.5
98.20558	1.3
107.01448	1.0
116.37840	0.8
117.03465	11.0
119.05037	1.2
121.02926	3.1
135.04524	2.2
149.02429	1.0
152.99591	2.0
159.04524	3.1
161.02400	5.2
163.00249	1.5
163.03983	3.7
165.01944	2.5
196.05383	1.0
197.06020	1.5
211.07509	1.7
225.05603	0.9
239.07106	2.2
253.05095	1.2
267.28098	1.0
268.03806	3.4
269.04474	6.8
281.04535	8.6
282.05185	5.5
283.06094	64.2
284.06482	3.8
293.04538	2.6
295.06140	4.6
311.05594	100.0
312.05948	7.6
314.04282	1.5
323.05566	8.5
341.06644	27.0
342.06982	2.2
353.06839	2.1
413.08813	1.2
431.09781	73.3
432.10068	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	431.0982
Annotation	Vitexin
Peak:m/z	Relative Intensity
59.01379	4.3
60.19702	0.6
61.98831	5.2
68.15569	0.7
69.19711	6.9
71.01362	0.8
71.13721	0.6
77.03953	2.3
78.49300	0.7
78.95901	1.2
79.01875	1.3
80.20171	0.7
93.03464	1.7
96.95998	1.6
99.92592	0.8
105.03471	0.8
107.01356	0.8
117.03466	12.1
119.04996	0.7
119.40405	0.7
121.02937	2.7
135.04500	1.0
145.02916	1.9
149.02386	1.5
151.00391	0.8
152.99594	1.8
159.04500	2.6
161.02414	4.0
163.00372	1.0
163.03937	3.7
165.01941	2.3
175.03998	0.7
191.03535	1.2
196.05241	0.7
197.06020	1.6
211.07698	1.3
239.07060	1.9
253.04979	1.4
254.05806	0.9
268.03735	2.8
269.04578	6.4
269.48843	0.6
271.97781	0.8
281.04486	8.3
282.05264	5.4
283.06113	61.1
284.06454	5.4
293.04538	2.5
295.06107	4.8
309.04059	1.3
309.07343	0.7
311.05600	100.0
312.05981	8.6
314.04303	1.6
323.05588	9.6
324.05997	0.8
325.07379	1.0
341.06644	24.6
342.06802	2.4
353.06537	2.2
355.07919	0.8
383.07568	1.0
413.08853	1.5
431.09818	68.5
432.10178	8.4
443.80389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
63.02402	0.9
65.00321	0.7
69.62901	0.7
69.63306	1.3
72.12037	0.3
83.01392	0.8
89.03528	0.3
91.54890	0.3
91.81668	0.3
93.03452	0.4
94.28654	0.3
97.26964	0.3
98.20576	0.6
101.02489	0.4
102.86037	0.3
107.01376	1.8
117.03481	3.0
121.02977	0.3
148.01686	0.5
149.02419	1.1
149.99561	0.4
151.00357	3.0
151.96570	0.3
152.00438	0.3
159.04483	0.7
161.02495	0.5
163.03934	0.5
171.04503	0.7
172.05264	1.0
180.16696	0.3
183.04543	0.4
184.05325	0.4
191.03625	0.3
195.04498	0.5
196.05254	1.0
200.04735	0.6
201.05585	0.9
202.84497	0.3
211.03917	1.9
212.04845	0.9
224.04701	0.5
225.05305	0.4
227.03511	0.4
239.03471	3.2
239.07097	0.4
240.04253	4.1
246.38663	0.3
257.08270	0.3
267.03000	1.9
268.03757	100.0
269.04459	31.5
270.04791	1.4
281.04486	1.0
282.05289	0.6
283.06137	5.5
284.06339	0.4
295.06213	0.4
311.05576	10.9
312.05917	0.8
314.04114	0.3
323.05634	1.7
341.06628	2.3
431.09805	87.0
432.10184	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	431.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.9
70.30108	1.1
70.30523	1.4
70.51261	0.5
73.02953	1.2
83.01426	0.5
85.02960	1.1
86.82975	0.4
89.02441	1.3
93.03456	1.7
99.39332	0.5
101.02431	0.8
107.01394	2.2
113.02457	0.6
117.03495	0.5
132.02162	1.0
135.00896	1.6
136.40257	0.5
143.05046	0.5
145.03026	1.2
151.00302	0.9
153.01987	0.7
159.04497	1.1
161.04610	0.6
163.00404	1.2
167.05023	0.7
169.06502	0.5
183.04504	1.0
183.10239	1.0
185.06061	2.2
187.04001	2.3
189.05557	0.7
195.04570	0.7
197.06094	0.8
199.03940	1.2
211.03996	3.0
213.05594	1.5
214.02777	0.7
227.03493	44.4
228.03934	2.7
229.05045	10.5
239.03494	1.5
239.84650	0.6
240.04218	0.6
241.04962	1.3
243.03056	0.9
255.02991	63.1
256.03619	8.1
257.04550	5.9
267.02817	0.7
269.13965	0.9
284.03268	60.1
285.04034	100.0
286.04407	6.7
327.04745	0.5
383.68289	0.5
431.09821	58.3
432.10046	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	431.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01814	0.4
59.01380	27.7
60.01690	0.6
65.00341	0.6
69.63884	2.4
71.01376	1.8
73.23201	0.4
77.03959	2.4
79.01886	1.6
82.51325	0.4
85.02946	0.8
90.94290	0.4
93.03462	2.3
97.02978	0.5
99.00883	0.4
101.02432	0.8
105.03458	1.0
107.01394	0.5
113.02483	0.9
117.03471	11.4
118.03796	0.5
119.05038	1.6
121.02972	2.4
124.49823	0.4
125.02411	0.7
133.02979	0.5
135.04524	2.5
137.02432	0.5
145.02922	0.4
149.02434	1.4
159.04521	2.3
161.02440	5.3
162.03043	0.4
163.00360	1.3
163.04016	3.0
164.00998	0.4
165.01955	2.1
169.06490	0.4
173.02345	0.5
173.06116	0.6
175.00339	0.4
175.04114	0.6
177.01884	0.5
179.03508	0.4
180.05844	0.6
182.03732	0.5
183.04492	1.0
183.08162	1.0
185.02348	0.5
191.03500	1.3
193.01396	0.5
194.07214	0.4
195.04442	0.5
195.08153	0.6
196.05330	1.0
197.06079	1.4
200.26805	0.4
203.03516	1.0
210.06754	0.5
211.07628	1.1
215.07024	0.4
224.04684	1.0
225.05461	0.7
237.05586	1.0
239.07196	3.0
241.05081	0.4
251.07335	0.5
253.05028	1.0
254.05704	0.9
267.06589	0.4
268.03787	3.0
269.04584	6.9
279.06644	0.9
281.01447	0.6
281.04514	9.7
281.07440	0.7
282.05304	6.6
283.06116	57.0
284.06479	4.7
293.04532	2.4
295.06091	5.5
308.03348	0.5
309.03992	1.3
311.05606	100.0
312.05966	8.3
314.04272	1.9
323.05569	9.6
324.05902	0.8
325.07233	1.0
339.05103	0.4
341.06659	27.7
342.06879	2.4
353.06744	1.9
369.25873	0.4
371.08231	0.4
377.06424	0.4
413.08716	2.0
431.09821	68.2
432.10144	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	431.0982
Annotation	LMPK12110338
Peak:m/z	Relative Intensity
55.03973	0.6
56.46878	0.6
59.01377	5.4
61.98825	1.7
71.03091	0.6
74.74783	0.6
77.03955	2.2
78.95904	29.1
79.01872	0.9
93.03464	1.7
96.96969	2.0
105.03477	0.9
117.03464	9.6
119.05024	0.9
121.02969	2.6
125.09715	0.8
135.04509	1.9
149.02469	1.8
151.00230	1.1
152.99585	42.7
159.04526	1.5
161.02455	4.9
163.00439	0.9
163.03978	2.6
165.01909	1.9
171.00629	1.4
183.04489	1.8
197.06200	1.1
211.07611	0.8
224.04921	1.0
239.07043	1.9
253.05193	1.1
268.03732	2.6
269.04605	5.0
281.04538	8.5
282.05313	4.9
283.06113	59.5
284.06375	4.4
293.04523	2.2
295.06177	3.6
309.04050	1.4
311.05603	100.0
312.05951	8.0
314.04349	1.7
323.05548	8.4
325.07532	0.8
341.06647	23.1
342.07016	1.5
353.06601	1.6
413.08911	1.6
431.09799	68.0
431.21878	6.4
432.10178	7.8
434.22711	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02787	0.6
55.01896	1.1
59.01378	41.6
65.00361	0.7
69.03499	0.6
69.38048	0.6
69.45494	2.6
69.45901	1.5
70.15196	0.6
71.01371	4.4
73.02979	1.7
77.04009	2.6
79.01939	1.9
83.01420	1.3
85.02940	3.4
87.00911	2.7
89.02480	1.4
93.03459	5.6
95.01389	1.0
98.20674	1.0
99.00928	0.7
101.02460	3.4
105.03493	1.3
111.04525	0.9
113.02492	1.9
114.00507	0.7
117.03469	11.7
119.05077	1.0
121.02962	3.5
125.02462	0.6
133.03030	0.8
135.04564	2.8
137.02478	0.7
147.04529	0.9
149.02480	1.7
159.03069	0.7
159.04562	1.8
161.02464	5.6
161.04579	2.1
163.00377	1.1
163.04008	3.6
165.01987	1.6
173.04587	2.7
183.04503	1.2
191.03668	0.9
191.05583	10.3
193.01561	0.6
196.05324	0.9
197.06120	1.8
199.18448	0.7
203.03595	0.8
210.06900	1.1
211.07553	1.2
213.09291	0.9
224.04939	1.1
225.05722	1.0
225.14891	0.9
227.16354	0.9
231.10347	1.0
237.05583	0.7
239.07188	2.1
253.05174	1.0
254.05820	0.7
257.08209	2.5
259.19022	0.6
268.03836	2.8
269.04514	7.3
269.17569	0.7
281.04532	8.5
282.05273	4.0
283.06119	62.1
284.06439	3.7
293.04626	1.9
295.06155	4.4
309.04059	1.8
311.05609	100.0
312.05927	7.4
314.04404	1.3
323.05511	8.7
324.06012	0.8
325.07190	0.8
341.06641	22.4
342.06943	2.1
353.06595	1.5
371.20682	2.4
389.21848	7.6
413.08859	1.9
431.09717	67.1
432.10049	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	430.227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
59.01382	68.1
60.01701	1.2
61.98820	2.8
67.38918	0.7
71.01382	4.4
71.54987	0.9
72.99313	1.0
73.02930	1.8
74.91891	0.7
75.00872	1.6
79.05534	1.1
81.03456	1.1
81.47208	0.7
85.02962	4.5
86.02484	2.5
88.98804	0.7
89.02457	3.3
92.72028	0.7
96.96040	1.3
99.00879	0.9
101.02429	1.8
113.02458	2.2
114.29320	0.7
117.03492	6.0
119.03496	1.0
119.05013	4.1
120.01266	0.7
123.04537	12.5
125.02457	0.9
129.01968	1.3
135.04506	1.1
145.02957	26.2
161.02467	1.1
161.04541	2.1
163.03975	3.5
174.71164	0.6
176.04257	0.8
179.03612	0.7
179.05606	3.1
180.06003	1.2
191.05544	0.9
198.33006	0.6
224.13776	1.0
226.11719	1.1
268.12704	1.8
268.15884	0.6
269.17606	0.9
281.19443	11.1
283.17368	51.1
284.17673	4.8
307.08243	9.4
325.18320	1.3
343.19467	31.1
344.11212	1.1
344.19800	2.9
370.20572	2.4
402.08002	0.7
412.21719	1.9
413.21509	0.7
430.18213	4.5
430.22690	100.0
431.13782	9.7
431.22894	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	430.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04742	0.2
59.01378	0.9
59.11996	0.2
61.98835	100.0
66.03384	0.3
69.60013	1.7
69.60410	0.7
81.86277	0.3
85.02992	0.5
108.41683	0.3
278.69168	0.3
340.39328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
59.01381	3.2
61.98832	100.0
69.96377	1.1
71.01382	1.5
71.97072	0.2
72.97539	1.5
73.02957	0.8
81.03455	0.5
83.01380	1.6
85.02952	2.3
86.03281	0.4
88.98810	0.6
89.02440	1.2
93.03469	0.9
101.02435	1.2
107.05057	0.4
108.02186	0.3
109.02982	0.6
110.24983	0.3
111.00858	1.3
113.02437	0.5
118.98091	0.3
119.05022	0.6
123.04523	1.2
125.02471	0.8
129.01959	0.6
130.02310	0.5
134.97574	0.4
135.04514	1.2
137.02457	2.4
137.06030	0.3
139.04048	1.0
147.04565	0.6
149.02451	0.5
149.06097	0.6
151.04036	1.1
153.01895	0.3
161.06142	0.3
163.03975	0.4
164.04825	0.3
165.01959	0.6
167.03522	1.8
177.02063	0.3
177.05586	1.2
179.03568	0.7
180.04196	0.3
181.05109	0.3
191.03513	0.5
193.05052	1.0
195.02991	0.9
197.04607	0.4
205.03474	0.5
205.05270	0.4
206.02168	0.4
206.03908	0.3
207.03027	0.4
209.04575	2.0
210.05034	0.3
217.05098	0.3
219.03061	0.7
221.04582	1.1
225.04033	0.3
233.04648	1.2
235.06207	0.3
237.04152	1.0
239.05762	0.4
249.04045	4.4
251.05583	2.5
261.04047	0.6
263.05676	0.4
279.05106	10.3
281.06808	0.7
291.05228	0.5
309.06168	3.3
311.07822	0.4
355.20197	0.3
369.08203	1.9
381.08405	0.4
399.09305	3.7
405.63034	0.3
430.15652	0.3
431.11710	1.1
431.16061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.8
59.01379	18.4
61.98830	100.0
67.01891	5.8
67.80579	1.4
70.28099	1.6
70.28439	5.1
71.01395	4.0
81.03478	1.6
85.02946	9.8
87.00871	5.8
93.03458	30.8
94.18410	1.8
98.20555	1.6
101.02448	3.0
108.02214	2.3
111.04507	5.6
113.02479	2.2
118.98086	1.6
125.02402	1.5
125.22115	1.5
129.01974	1.7
134.03748	16.9
149.99536	1.4
155.03465	2.1
161.04466	1.9
173.04538	49.9
174.04970	1.9
183.10286	1.5
191.05611	96.5
192.05978	4.4
193.05029	11.2
225.07660	4.0
226.08022	3.4
226.66164	1.8
291.50449	1.4
316.07510	4.7
321.66763	1.5
367.10349	43.2
368.10733	4.0
431.11362	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01728	0.9
61.98833	1.3
69.56146	1.5
69.56581	1.5
79.97044	0.4
85.38921	0.5
91.04028	1.5
107.15010	0.4
132.34755	0.5
163.54608	0.4
165.86436	0.5
193.44263	0.4
195.13857	1.0
277.21762	1.0
281.90875	0.5
295.22757	10.0
296.23288	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27340	0.5
50.99988	0.4
54.78135	0.5
59.01378	100.0
60.01709	0.6
60.97347	0.5
74.89425	0.5
91.04025	2.0
99.06067	0.5
103.88599	0.4
108.62598	0.4
109.86006	0.5
195.13948	1.2
231.46535	0.5
235.88350	0.5
277.21747	1.7
295.22748	13.8
296.23172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91325	1.6
57.03442	3.1
59.01381	38.5
60.99286	2.2
61.98833	53.8
67.01890	4.4
69.03448	3.0
69.47622	13.2
71.01380	12.3
73.02943	5.7
81.03463	1.6
83.01376	2.7
83.05003	1.9
85.02955	10.8
86.03291	2.1
87.00864	3.4
88.98845	2.5
89.02440	4.0
93.03466	28.6
101.02438	5.6
102.02792	1.9
108.02191	13.6
109.02341	2.2
109.02956	7.2
111.00867	3.1
111.04508	5.4
113.02426	5.1
123.04431	2.2
125.02465	6.7
129.01964	2.5
134.03764	17.9
137.02449	6.9
145.58720	2.0
149.02414	2.0
151.03975	2.0
152.01158	14.2
153.01685	7.1
154.02321	3.4
155.03529	3.2
161.04517	2.0
163.11230	3.2
164.11559	1.9
167.03545	2.4
168.00699	2.9
173.04558	100.0
174.04988	2.9
179.03488	1.9
183.10185	3.5
191.05614	33.4
192.05901	2.1
193.05025	15.5
194.77235	2.0
223.04544	2.5
315.07251	8.5
316.07529	17.7
317.07620	1.9
349.07187	2.3
367.10367	35.1
368.10947	2.7
389.18161	2.0
429.17737	3.2
430.10605	8.1
430.18225	13.0
431.11478	6.9
431.18912	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	429.2645
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
59.01373	1.7
61.98837	0.9
62.68291	0.6
69.94113	1.6
69.94504	1.6
111.04522	1.3
125.75154	0.7
125.90377	0.7
151.03978	1.8
164.70546	0.7
166.02675	1.0
191.03450	1.2
203.07101	1.6
206.09421	0.9
207.06607	1.1
208.07440	9.1
209.07951	1.0
219.06638	6.8
221.08177	37.7
222.08678	3.5
233.08212	8.9
234.08948	10.4
245.15451	1.0
247.09790	3.1
259.09610	1.0
289.14465	13.4
289.17654	0.8
290.14862	1.4
303.16003	6.9
317.13971	1.6
317.17694	1.2
317.59888	0.8
345.17032	0.9
360.19363	8.9
361.19681	0.8
385.27515	6.2
386.27890	0.8
429.26425	100.0
430.26807	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	429.2643
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
60.69205	0.4
62.66408	0.3
62.94587	0.4
70.11659	1.8
74.93653	0.5
79.01893	0.6
83.55685	0.4
88.43364	0.4
98.99528	0.5
99.92591	0.5
100.93366	1.4
111.04534	4.0
115.92077	9.9
116.92867	0.6
121.06586	0.4
123.04536	1.2
123.08202	0.5
131.50911	0.4
133.67355	0.4
151.02892	0.6
151.04012	6.1
152.04755	0.9
159.24239	0.4
163.04080	0.4
165.01793	0.5
165.05582	0.5
172.95396	0.5
177.01965	1.1
177.09175	1.0
179.03407	1.1
180.04315	3.6
191.03456	0.4
193.08740	2.2
203.07126	3.2
207.06587	6.1
208.07411	2.4
209.08057	1.0
219.06648	0.5
221.08180	78.3
222.08907	23.4
223.09351	1.3
233.08206	3.5
235.09755	4.6
235.17134	0.7
247.09709	0.7
317.13907	0.6
328.86160	0.5
343.19269	0.5
345.16895	0.5
359.18640	0.9
360.19409	0.9
383.55518	0.4
385.27444	0.8
387.80106	0.4
429.26431	100.0
430.26749	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	429.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18220	0.3
54.84518	0.3
58.58986	0.3
59.01371	0.7
71.02057	0.7
79.01865	0.4
85.06557	0.5
87.37840	0.3
96.21709	0.3
102.21327	0.3
107.05016	0.5
109.02945	0.4
111.04516	4.4
111.08170	0.7
123.04514	1.1
123.08135	0.8
125.53584	0.3
151.04033	5.5
163.03999	0.5
165.01859	0.4
165.05573	0.9
166.02724	0.9
177.01863	0.5
177.09290	0.6
179.03500	0.8
180.04240	1.8
189.09128	0.3
191.03391	0.3
191.10793	0.9
193.05077	2.0
193.08661	1.3
193.12216	0.5
203.07095	2.7
207.06647	4.5
208.07394	3.6
209.08099	0.9
217.08684	0.6
219.06583	1.2
221.08176	63.9
222.08879	12.4
223.09200	0.6
233.08173	7.6
234.08806	1.2
235.09724	9.0
235.17047	0.7
236.10023	0.5
247.09799	2.3
248.10181	0.4
277.10675	0.5
287.12991	1.6
289.14404	0.9
303.15945	1.2
317.14017	0.6
331.15622	0.5
343.19061	0.8
345.17038	0.9
359.18875	0.8
360.19495	1.6
376.53616	0.3
385.27460	0.8
429.26425	100.0
430.26773	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	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.6
57.03444	1.6
59.01377	100.0
60.01703	0.8
71.01377	7.3
71.31500	0.9
73.02940	2.3
75.00867	0.6
82.96967	0.4
83.01400	1.8
83.05040	0.5
85.02953	3.2
86.51958	0.5
87.00882	3.9
89.02442	3.9
95.01411	0.6
97.06567	0.5
99.00880	1.0
101.02438	5.5
107.05042	0.9
113.02468	2.7
119.03506	1.0
119.05013	4.0
137.09761	1.3
143.03481	0.7
161.04610	1.5
161.09708	2.5
161.13341	2.2
163.03973	3.2
163.11356	0.5
179.05663	1.5
187.11252	2.9
189.09282	1.4
205.12370	1.5
207.10307	0.5
223.13368	14.2
224.13760	1.0
225.14957	3.7
229.12277	0.5
233.15503	0.9
249.11354	2.1
267.12347	16.2
268.12643	0.8
309.13687	0.6
342.27618	0.4
357.68158	0.7
369.15283	0.7
369.19312	2.9
386.24298	0.5
387.20184	4.1
388.20697	0.5
429.08356	0.8
429.17368	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.5
58.00600	1.3
59.01381	100.0
60.01726	1.2
61.98833	1.5
69.03462	1.6
69.35051	5.4
71.01383	31.7
72.99313	2.1
73.02949	35.7
75.00890	1.4
76.30920	0.6
76.77801	0.7
81.03459	1.1
83.01392	12.5
83.01834	1.1
85.02951	14.9
87.00895	2.6
89.02453	10.3
93.03490	1.1
95.01411	2.3
97.02974	1.4
98.19922	1.1
99.00885	1.3
101.02442	29.6
102.02840	0.6
107.05045	2.4
108.02214	0.7
111.00923	2.0
113.02461	10.3
113.03176	1.1
114.05620	1.1
119.03509	4.0
123.04561	1.7
125.02492	2.3
129.01967	2.9
131.03537	2.8
133.03012	0.8
134.03743	1.3
135.04533	10.0
136.04950	0.7
137.02519	0.8
137.06148	1.5
143.03473	3.3
147.02986	1.1
149.02469	0.7
149.04601	1.6
160.01660	0.7
161.02422	1.9
161.04535	5.3
161.09760	2.5
161.13388	2.2
163.11320	1.1
167.03499	4.6
175.04002	1.8
178.02620	0.7
179.03546	12.1
179.05640	6.6
179.07016	1.0
187.11214	3.5
189.09352	1.5
189.12900	5.3
191.02008	0.7
191.05583	1.0
205.12439	2.3
207.10254	1.0
207.13940	1.6
209.04546	5.1
223.13385	15.1
239.05708	1.0
249.11403	3.0
267.12372	14.6
369.15552	0.8
387.16330	0.9
403.08508	0.7
411.19928	1.0
429.17047	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	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01715	1.5
63.60788	0.4
70.68615	0.7
70.68939	0.7
71.01384	9.9
73.02946	9.1
83.01379	2.5
85.02949	2.4
87.00880	0.6
89.02435	5.3
95.01413	0.6
96.95991	0.5
99.00931	0.4
101.02440	9.9
113.02449	4.8
119.03527	1.7
125.02467	0.6
131.03528	0.7
137.58035	0.4
143.03503	0.7
149.04590	1.3
151.07619	0.6
155.03447	0.5
161.04538	2.6
165.09175	0.4
179.05704	0.4
189.12871	0.6
191.05539	0.7
193.32326	0.4
207.14075	0.5
212.82065	0.5
393.17639	2.2
429.15451	1.6
429.21683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99607	8.3
59.01376	5.8
61.98872	0.7
69.41177	2.0
69.41615	1.9
71.01421	1.0
73.98352	0.6
74.99171	1.8
85.03014	0.9
87.00883	4.7
102.98595	5.4
111.08172	0.6
111.25252	0.4
112.63742	0.5
112.77708	0.5
113.37780	0.5
121.02978	0.7
129.02022	1.5
131.38133	0.5
135.11800	0.7
141.66193	0.5
167.03615	0.6
182.30859	0.5
189.01920	0.6
195.08566	0.9
203.18076	1.3
208.93263	0.5
209.15445	1.1
221.19107	0.7
237.18687	2.1
247.17017	11.0
248.17444	0.8
255.17755	0.6
265.18082	27.0
266.18552	2.6
281.15790	31.3
282.16107	2.5
285.18567	0.9
291.12329	1.0
299.16855	100.0
300.17215	7.0
325.18387	4.5
341.17981	1.4
356.12939	0.7
369.17377	24.5
370.17715	2.7
371.14880	0.6
387.18454	30.8
388.18719	3.2
429.19360	32.8
430.19461	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.01321	0.4
57.03440	0.9
58.00580	0.4
59.01379	100.0
60.01719	0.9
61.98826	1.4
66.80579	0.4
69.15889	3.9
69.16295	0.6
71.01383	10.2
73.02953	3.9
83.01394	1.5
83.01843	0.4
84.02183	0.8
85.02946	6.0
87.00889	1.2
89.02461	2.1
92.75093	0.4
93.03453	0.6
95.01405	0.7
97.02991	0.4
99.00888	1.3
101.02438	6.0
102.02750	0.5
104.59253	0.4
108.02209	0.4
113.02458	4.3
119.03500	0.7
120.33923	0.4
125.02464	0.6
133.02946	3.5
135.04559	0.8
159.03018	0.5
161.04536	2.6
163.00354	1.2
167.03540	0.6
175.03967	0.6
179.05582	0.5
191.05585	0.8
196.05417	0.5
201.01834	0.7
225.14919	3.3
253.04741	0.6
269.04578	0.6
284.03278	1.1
285.03992	6.0
293.04034	0.4
297.04047	5.5
298.04773	4.7
299.05475	0.8
303.39865	0.5
309.04303	0.6
311.05627	1.2
323.05560	0.5
324.02786	1.0
325.03540	2.5
325.06931	0.6
327.05164	2.1
339.05042	1.3
341.06613	1.4
353.06570	0.6
369.06030	2.4
369.19244	4.2
371.07407	0.5
381.06094	1.1
387.20184	10.9
387.24890	0.7
388.20395	0.7
393.06134	0.6
399.07242	1.9
411.07214	1.5
429.08270	18.5
429.13495	1.0
429.20981	1.4
430.08798	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	429.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01413	0.1
61.98843	0.2
63.25645	0.1
67.85837	0.1
71.01382	0.2
71.22474	0.3
79.35950	0.1
99.00916	0.2
99.92580	5.0
100.92669	0.3
100.93356	3.9
101.30161	0.1
101.93399	0.2
106.08497	0.1
115.92078	100.0
116.92085	4.1
116.92868	5.6
117.92786	0.2
130.94440	0.2
132.92378	1.0
142.94461	0.3
147.47154	0.1
155.95300	0.3
158.68570	0.1
172.95461	5.4
173.95506	0.3
221.08208	1.0
222.08838	0.2
255.23189	0.6
294.61105	0.1
355.15799	0.8
356.16452	0.1
368.81744	0.1
371.15231	0.3
381.17416	1.0
411.18509	0.2
429.19476	5.5
429.26248	1.0
430.19763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47209	0.9
56.22141	0.9
57.03445	2.7
59.01380	79.9
59.31884	1.0
60.01696	1.2
61.98825	7.6
69.20636	8.7
71.01012	1.2
71.01382	11.4
71.05016	5.2
72.99313	7.9
73.02948	12.8
75.00871	41.3
77.21825	1.1
81.03458	8.8
83.01377	1.6
85.02953	6.2
87.00874	6.6
87.04501	2.5
89.02403	1.7
97.02912	1.6
99.00867	3.9
99.01465	1.0
99.04534	11.3
99.45361	0.9
101.02467	1.2
113.02485	1.4
123.04523	1.6
125.02428	1.3
135.04489	2.3
137.02455	2.0
141.61525	1.2
143.03505	13.8
143.52512	1.0
151.03983	2.1
152.04811	1.3
161.02438	2.0
161.04561	23.7
161.09741	1.9
161.13318	2.7
163.11285	2.0
167.03523	1.9
175.04028	1.1
179.05606	77.8
180.05881	1.0
182.04590	41.4
187.11218	1.2
189.09149	1.1
193.05029	1.2
205.05003	1.1
205.12340	1.7
223.13388	28.3
224.13577	1.6
235.06036	2.2
249.11229	2.0
267.12360	15.4
267.15439	1.4
309.09717	6.8
339.10733	2.8
346.46030	1.2
369.15225	1.3
386.10913	2.1
411.16544	2.3
429.17575	100.0
430.17749	10.0
430.22821	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	429.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.4
58.00584	1.7
59.01377	100.0
61.98811	1.9
68.34080	1.0
69.44941	6.6
70.79187	1.1
71.01380	29.3
71.05018	3.5
72.99312	5.7
73.02947	6.7
75.00867	19.0
81.03455	3.2
83.01371	2.2
83.05012	1.2
85.02961	9.0
87.00883	4.2
89.02443	33.8
93.03470	1.7
93.34600	1.1
95.01392	1.6
99.00874	2.7
99.04493	5.5
101.02438	15.1
111.00887	1.7
111.04453	1.2
113.02452	10.5
119.03506	14.5
125.02419	1.1
131.03458	1.7
143.03493	10.7
145.01517	1.0
149.04608	1.2
161.04558	8.7
161.09731	1.7
161.13374	11.9
163.11275	1.1
164.69389	1.0
177.90862	1.0
179.05608	62.0
180.05977	2.6
187.11298	3.5
191.05518	1.2
196.34706	1.1
205.03555	1.8
205.12320	36.9
206.12651	2.0
207.10181	1.7
223.13373	27.7
224.13837	1.9
243.66064	1.0
249.11302	40.7
250.11604	3.9
267.12341	21.3
268.12628	1.9
429.17612	51.6
430.18094	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	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.3
57.03471	1.4
59.01384	46.0
69.40734	7.1
71.01389	12.5
73.02949	5.1
83.01385	2.9
85.02956	9.8
87.00852	1.3
87.04517	1.3
88.27758	0.8
89.02451	3.5
95.01395	1.6
96.96015	1.4
98.19860	1.7
99.00867	1.9
100.44174	0.8
101.02419	6.8
109.02957	2.5
111.00866	1.3
111.04530	1.3
113.02453	5.4
113.06091	1.6
119.03479	1.0
121.02912	1.0
122.03670	2.2
125.02455	1.2
125.09749	1.1
135.04533	1.5
136.01740	1.0
137.06068	1.1
139.04033	1.3
141.09235	1.6
149.06085	23.4
150.03241	1.0
150.06429	1.0
151.07657	6.1
152.04747	1.3
153.01949	2.1
160.06279	1.5
161.04565	2.8
163.07628	1.9
164.04723	2.9
164.08426	100.0
165.05499	1.4
165.09207	39.3
166.09520	2.6
167.03502	1.6
177.05466	1.5
179.05667	1.7
179.07129	7.5
195.06685	3.3
203.05623	1.7
207.10240	3.7
209.04564	1.2
210.09027	4.4
223.13487	1.8
225.11308	7.3
309.13501	1.5
354.13339	1.8
369.15494	33.2
370.15994	4.2
387.16559	18.6
388.16776	1.5
429.13855	2.4
429.19052	1.5
451.53738	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
57.03437	0.9
59.01382	100.0
60.01716	0.7
71.01389	11.0
71.02206	0.5
72.99298	0.9
73.02948	8.2
81.03449	0.5
83.01398	1.2
84.81062	0.4
85.02950	4.8
87.00871	2.5
87.04523	1.0
89.02448	5.9
96.96037	0.8
99.00880	0.4
101.02450	13.0
103.04011	5.4
108.02247	0.6
109.02984	0.6
113.02477	1.7
113.06091	0.5
115.04052	1.3
118.48279	0.4
119.03500	3.1
121.03003	0.4
123.04549	1.3
123.08178	1.4
124.05324	1.7
125.02484	0.8
131.03508	3.0
136.01686	0.5
143.03529	3.3
145.05025	2.1
147.08214	0.4
149.06064	2.9
150.06805	0.4
151.07614	1.9
161.02492	0.8
161.04601	1.1
163.06136	9.8
164.04791	0.5
164.08429	11.4
165.09219	16.1
166.09630	0.6
167.03539	0.4
179.07086	0.9
191.05640	0.5
203.05612	2.9
205.07195	5.2
205.08847	0.6
207.10268	0.5
261.29794	0.4
309.13687	0.7
313.12982	0.7
369.15533	2.0
375.19949	0.5
429.13953	1.3
429.21838	0.7
440.48972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31646	0.9
57.03429	1.3
59.01382	68.0
60.01715	1.0
61.98840	5.7
64.26151	0.9
70.50571	1.3
70.50900	1.8
71.01397	5.8
72.99307	1.0
73.02949	4.3
75.78432	0.8
77.84888	0.8
78.65628	0.8
81.03474	1.1
83.01419	1.3
85.02944	5.9
87.00884	1.5
89.02440	4.1
93.03433	1.4
95.01345	2.3
96.96008	1.9
97.02940	1.5
101.02437	5.6
107.05036	1.8
108.02184	2.1
109.02939	1.7
113.02462	2.8
119.03445	1.5
119.05031	1.4
121.02931	2.0
122.02473	1.7
123.04535	15.8
125.02400	2.3
134.03711	1.2
135.04509	4.1
136.26038	0.9
137.02414	1.5
137.06062	2.9
139.04044	1.1
139.07634	1.1
146.03734	1.2
149.02429	6.7
150.02991	1.1
151.02954	1.4
151.04013	8.3
152.01176	4.5
153.05571	4.0
161.04561	1.2
164.04897	1.0
165.09212	1.7
167.03491	10.2
167.07118	5.4
179.03519	2.0
180.03821	1.0
181.05093	8.9
181.08656	5.3
182.09160	1.0
191.05576	5.3
195.06621	93.0
196.06976	4.6
207.10255	1.9
210.08965	67.8
211.09311	3.2
223.06172	2.0
224.06488	1.7
225.11313	100.0
226.11736	4.8
369.15604	1.7
429.13409	5.3
429.18301	3.3
450.44781	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.4
59.01382	80.9
60.01686	1.1
61.56384	1.0
61.98579	0.9
61.98837	8.7
69.73955	3.6
69.74368	2.3
71.01388	12.4
71.05010	5.4
72.99314	10.0
73.02943	10.2
75.00875	37.9
81.03474	8.0
83.01392	2.5
85.02964	7.6
87.00872	5.8
87.04510	2.3
89.02446	3.3
98.19987	1.6
99.00867	4.5
99.04518	9.4
101.02429	2.6
107.05051	1.4
125.02396	1.6
129.01881	1.1
135.04446	1.3
137.02393	1.3
143.03511	13.4
147.02931	1.4
149.79156	1.0
151.03975	2.7
152.04785	1.9
161.02536	1.3
161.04564	18.6
161.09698	2.4
161.13240	1.2
163.11282	1.3
179.05617	72.4
180.05887	2.8
182.04591	34.7
187.11287	1.8
191.01991	1.5
193.05022	2.0
205.12332	1.8
207.10330	1.1
223.13388	29.5
224.13805	1.6
235.06070	3.4
235.59035	1.0
249.11389	2.2
267.12415	15.2
268.12662	1.1
309.09787	7.7
310.10217	1.0
319.30627	0.9
339.10855	2.8
344.09760	1.2
386.10751	2.9
411.16769	2.2
429.17593	100.0
430.17828	10.2
443.09708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
57.03423	1.6
58.00588	3.1
58.59655	1.2
59.01377	100.0
70.48238	1.0
70.91557	3.3
71.01379	44.4
72.67571	1.1
72.99300	4.3
73.02948	2.0
77.26724	1.1
78.48058	1.1
81.07088	2.3
83.01398	2.1
83.05045	1.6
85.02939	8.7
87.00848	3.0
87.18598	1.2
89.02441	59.9
95.01383	3.7
99.04513	7.0
101.02438	22.7
104.41623	1.2
111.04505	1.8
113.02450	19.9
114.51656	1.2
119.03490	25.0
131.03476	3.0
143.03506	4.3
149.04561	2.3
150.06873	1.2
161.04546	5.3
161.13358	23.6
161.44580	1.1
179.05655	7.3
187.11256	2.0
188.20427	1.2
205.12317	50.1
206.12675	3.0
207.50546	1.1
223.13300	3.8
249.11299	69.3
250.11697	3.3
256.50586	1.2
267.12280	2.2
385.18350	1.4
429.17636	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	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44892	0.8
57.03451	4.1
59.01377	100.0
69.44432	5.2
71.01012	1.1
71.01376	13.0
71.05020	1.9
72.99311	1.5
73.02950	6.2
75.00864	16.2
81.03446	2.1
83.01382	1.0
85.02944	6.5
87.00877	4.3
88.75927	0.8
89.02435	9.3
95.01382	1.3
97.02945	1.7
97.06542	0.9
99.00875	3.3
99.04508	1.4
101.02440	8.0
107.04964	1.3
108.54160	0.8
113.02437	5.7
119.03490	1.9
129.01926	2.0
131.03506	1.2
135.04561	1.1
138.03232	1.0
143.03502	4.4
161.04578	6.4
161.09692	3.6
161.13377	3.0
166.02698	1.9
169.85045	0.9
179.05603	58.3
180.05894	1.2
181.05002	5.3
187.11317	4.9
203.10689	1.6
205.12332	2.2
207.13820	2.0
215.10835	2.2
223.04639	2.1
223.13374	40.4
224.13710	3.2
229.12245	1.0
241.12346	1.3
249.11301	3.4
259.13358	1.4
267.12360	31.6
268.12894	1.8
276.99121	0.8
291.22284	0.8
321.13367	1.7
326.50958	0.9
333.52875	0.9
339.14392	7.7
369.15015	1.1
385.18457	1.7
387.19852	0.9
429.17426	20.8
430.18045	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.3
57.03449	14.1
59.01102	1.2
59.01381	13.0
61.98829	3.7
67.01901	1.2
69.21631	5.4
69.22032	1.9
71.01371	8.3
72.07928	0.8
72.99321	1.1
73.02917	1.6
75.00864	1.7
83.01388	10.2
84.02178	2.0
85.02951	100.0
85.10647	0.8
86.03305	1.7
87.00881	1.2
93.03466	1.4
99.00853	1.4
101.02443	4.8
108.02154	5.3
108.07965	0.8
109.02966	2.3
111.00885	22.4
113.02478	0.9
121.02970	1.7
125.02421	1.0
129.01944	18.8
135.04469	1.0
137.02394	1.2
139.00385	1.1
147.02960	1.2
149.02446	11.8
151.04008	1.5
151.98999	0.9
152.01115	4.9
153.01933	3.0
161.04536	3.2
163.11264	1.6
164.04802	6.6
165.05522	2.6
166.06311	1.6
173.04555	3.3
181.05072	1.2
187.02592	1.1
190.02664	0.9
191.05638	3.0
192.04176	1.0
192.31973	1.0
205.03503	26.6
207.06564	2.7
208.03630	1.1
209.04555	1.1
223.04431	15.4
223.06190	3.5
225.07680	18.8
309.05762	0.8
315.07141	8.3
354.50882	1.0
367.10391	1.2
429.10120	3.3
429.17630	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36736	0.5
53.96798	0.5
55.01878	4.7
57.03449	17.2
59.01388	4.1
59.83849	0.5
61.98830	3.7
67.01894	0.9
68.99820	1.2
71.01384	6.5
71.53555	0.5
72.99300	1.0
73.02948	3.2
75.00874	1.7
78.91901	0.8
83.01389	8.7
84.02168	1.8
85.02951	100.0
86.03307	1.8
87.00894	1.0
96.95982	0.7
97.72578	0.6
99.00928	0.8
101.02445	5.1
109.02969	0.9
111.00885	27.6
117.84585	0.5
121.02967	1.5
121.64880	0.5
122.68628	0.5
129.01944	40.2
129.12471	0.6
130.02267	1.0
134.03755	0.6
135.04462	1.3
135.94746	0.6
145.03000	0.7
149.02432	8.4
152.01161	1.0
161.02528	0.9
161.04593	2.8
161.30786	0.5
164.04782	6.1
173.00891	0.6
187.02492	1.4
190.02701	0.7
191.05563	1.7
193.01407	1.4
205.03529	25.5
205.12169	0.6
206.03763	0.9
208.03804	1.1
223.04581	13.8
223.06227	5.1
225.07733	1.4
315.07260	0.9
429.13809	1.6
429.18686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01368	1.7
61.98832	100.0
70.81086	0.6
71.01382	1.0
73.02955	0.4
75.31799	0.2
83.01424	0.7
85.02955	3.3
89.02451	0.3
93.03476	1.0
96.96011	0.9
96.96965	0.4
101.02454	0.7
111.00898	0.9
119.05010	0.3
128.03549	0.8
129.01945	1.7
135.04538	2.1
136.04047	0.9
136.54150	0.2
137.02478	0.9
139.03992	0.6
149.02492	0.4
161.04596	0.4
178.08745	0.3
179.03470	0.3
193.05130	0.3
199.45241	0.2
204.06755	0.3
205.03593	0.8
207.79465	0.3
221.10312	0.4
222.07654	0.5
222.10767	0.5
223.04617	0.9
266.06772	1.4
266.10077	0.3
296.26859	0.3
308.05023	0.5
368.16367	1.0
428.11975	1.1
429.10052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.6
57.03456	22.6
59.01381	2.9
61.98830	7.8
67.01865	1.5
69.74691	5.5
71.01371	6.1
72.99303	1.4
73.02963	2.3
75.00904	1.5
83.01399	8.9
84.02164	1.5
85.02956	100.0
86.03303	2.2
87.17137	1.1
96.96025	1.3
98.20651	1.4
101.02456	7.2
111.00893	29.0
121.02937	2.3
129.01962	38.7
134.03696	2.0
137.02460	1.3
149.02432	9.1
152.01173	2.3
155.10135	1.3
161.04579	1.9
164.04825	5.3
178.02849	1.6
193.05095	5.1
205.03526	28.0
208.03790	2.2
223.04451	17.9
223.06218	3.3
315.07248	1.5
450.62875	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.7
61.98831	76.9
69.77044	1.5
69.77322	5.5
70.09006	1.0
71.01373	5.4
75.00858	1.2
78.78629	1.3
83.33925	1.0
84.04546	12.7
85.02946	4.3
87.00870	1.7
88.98794	5.4
89.02454	3.0
93.03458	66.9
94.03778	2.5
96.96027	2.1
99.62792	1.3
101.02422	2.6
102.05598	11.1
105.01913	2.4
108.11591	1.2
110.33241	1.0
113.02454	1.6
118.02995	17.7
119.03458	1.3
119.05009	2.9
121.02897	1.2
128.03542	54.8
128.07167	2.7
129.03831	2.1
133.06557	1.5
135.04506	7.7
136.04039	66.2
137.02441	61.5
146.04591	11.1
147.04422	1.3
148.05103	1.0
150.05603	2.2
151.04001	2.0
160.07672	10.9
161.02490	5.8
162.02762	2.1
162.05609	8.0
163.04002	3.6
164.04332	1.6
175.03951	2.3
176.04303	2.9
177.01942	4.1
178.08727	31.8
178.55736	1.2
179.03487	2.5
179.09117	1.7
189.05536	1.5
190.05997	1.7
191.01804	1.3
191.05624	11.3
192.02058	1.7
192.05986	4.8
204.06657	19.7
205.08711	1.5
207.06468	1.5
209.02692	10.2
210.03130	10.1
219.06558	1.3
222.07692	36.9
223.07996	2.0
234.05028	1.4
235.00650	1.4
248.05603	2.7
249.07692	2.1
253.01833	2.3
254.02136	2.9
266.06683	100.0
267.07007	4.6
268.52567	1.4
299.08145	1.9
323.07703	1.7
346.98526	1.1
428.07172	12.6
428.12036	95.5
429.07077	2.3
429.12521	10.3
446.48419	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01693	0.6
61.98830	0.8
67.67831	0.6
71.44039	0.8
80.92717	0.6
86.67974	0.5
90.47363	0.5
201.69621	0.5
218.92928	0.5
293.21274	6.1
367.13336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89985	0.7
59.01380	100.0
60.01723	1.3
61.98839	1.1
70.37713	0.9
70.38055	1.3
78.43673	0.8
89.02431	0.8
91.04028	3.1
96.83480	0.7
134.89481	0.9
164.98358	1.4
180.00719	1.1
185.16669	0.7
195.13965	1.0
208.00192	0.9
210.50566	0.7
234.53923	0.7
275.20355	1.3
293.21204	12.9
294.21686	1.8
343.04758	1.1
344.99640	0.8
447.60291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24354	0.9
56.31935	0.9
59.01372	6.0
61.98830	36.2
67.82539	0.9
69.15498	8.9
69.15908	2.0
69.27595	1.0
71.01382	2.2
75.00883	1.0
84.04551	11.6
85.02969	2.0
87.00831	1.7
88.98799	2.8
89.02468	2.2
93.03455	57.2
94.03777	2.2
96.95991	1.7
100.04012	1.0
102.05608	11.5
113.02480	1.6
114.05604	1.2
114.73161	0.9
118.02995	13.4
119.03423	1.1
119.05034	1.9
121.02955	1.4
128.03543	46.6
128.07191	2.2
129.03873	1.8
135.04494	2.7
136.04037	60.7
137.02443	50.6
137.04228	2.1
138.02737	1.5
146.04631	9.5
151.03943	1.0
160.07671	9.0
161.02463	2.8
162.02879	0.9
162.05573	6.9
163.04007	1.8
175.03871	1.0
176.04239	1.5
178.08720	31.8
179.03453	1.4
190.05843	1.1
191.01778	1.1
191.04086	1.2
191.05568	5.7
192.05980	2.0
204.04388	1.5
204.06644	18.9
205.06902	1.0
209.02754	4.1
210.03038	6.1
222.05537	2.2
222.07695	37.5
223.08023	2.1
248.05525	2.3
249.07787	2.1
254.01985	2.3
266.06680	100.0
267.06940	5.8
299.07690	3.8
323.07678	1.3
324.79486	1.2
428.07263	8.1
428.12006	91.4
429.07254	1.2
429.12506	9.2
441.87061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17893	0.8
59.01377	100.0
61.98813	2.7
71.01387	0.7
71.54107	1.1
75.94621	0.8
78.42505	0.9
78.69214	0.9
79.89590	0.7
82.68275	0.9
91.03993	3.2
107.09626	0.7
116.92906	1.1
157.67307	0.8
174.28571	0.8
179.38205	0.7
275.20084	2.1
293.21219	11.4
294.21558	1.4
311.22363	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	427.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36727	0.6
52.84263	0.6
59.01382	1.1
61.98839	0.8
69.99833	2.5
71.01366	0.9
82.30363	0.6
93.03461	5.0
95.01411	0.8
111.00887	0.7
121.02962	53.3
122.03278	1.4
123.00898	6.1
123.04548	0.8
131.05020	1.6
136.01659	2.2
136.05292	0.9
138.03278	0.7
145.06610	2.1
146.03731	9.4
147.00893	1.4
147.04520	9.9
149.02441	27.0
151.03987	4.4
153.05571	1.5
157.69357	0.6
158.03737	18.9
158.05051	0.9
159.04541	5.6
160.05305	21.7
161.06117	6.0
162.03186	3.9
163.03975	1.8
164.04791	89.8
165.05154	4.6
168.04143	0.6
173.06075	26.9
174.06659	1.5
175.07642	48.2
176.04813	0.8
176.07979	2.4
177.05569	100.0
178.05893	4.1
179.07118	7.7
191.07149	2.4
192.07927	4.1
193.05063	2.2
227.18051	0.6
301.27576	0.7
328.13129	2.3
329.13943	6.5
358.14209	1.1
383.12042	0.6
397.20505	1.0
412.18985	6.3
427.21240	52.6
428.21490	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	427.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.9
61.98830	3.5
65.23575	0.4
67.01885	1.8
68.63988	0.4
70.03780	1.4
71.01385	0.9
81.03445	0.5
81.96033	0.4
93.03472	0.9
95.01389	0.7
99.92570	2.1
107.01409	0.6
108.02177	2.1
109.02953	1.4
111.00896	1.5
115.92022	0.4
116.92865	0.6
118.89973	1.2
119.05033	0.8
123.00884	11.9
123.04532	1.1
124.01219	0.5
131.04955	0.4
134.03732	7.2
134.89487	0.9
136.01659	58.4
137.02100	1.8
138.03227	7.1
138.38434	0.4
143.99393	0.4
146.03746	4.6
147.04494	2.2
148.05316	0.6
149.06090	4.3
151.04002	100.0
152.04352	3.9
159.04512	4.9
161.02374	0.8
161.06079	5.9
162.03238	2.9
162.06779	1.3
163.03999	1.4
163.07558	0.5
164.04826	1.0
171.10063	0.5
173.06116	1.5
174.06844	5.7
175.03967	0.8
175.07544	0.9
176.04787	4.1
176.08426	1.4
177.05554	4.5
179.07137	1.5
188.04721	1.0
189.05623	0.6
189.09151	3.4
190.06233	0.4
191.07109	2.8
191.33766	0.4
192.07800	0.5
193.05054	0.5
235.53610	0.4
247.13379	1.3
295.09744	1.1
310.12167	1.0
311.22260	1.1
313.10703	0.8
318.96582	0.4
325.10822	0.9
340.13113	3.2
341.13766	1.3
358.14203	3.8
359.14749	0.7
394.17670	0.5
409.20160	12.7
410.20575	1.6
412.18878	1.2
427.21240	18.2
428.21820	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.7
60.76699	1.1
61.05754	1.2
61.98827	4.6
67.01863	1.4
69.55632	2.0
69.56027	6.6
71.01405	1.6
73.37096	1.2
86.86969	1.2
90.56023	1.0
99.92583	2.8
107.43150	1.1
108.02163	4.1
109.02944	3.9
111.00842	1.5
115.92086	1.9
116.92822	1.3
118.89943	2.6
121.03001	6.1
121.03773	0.9
123.00894	12.9
123.04532	1.9
134.03712	3.3
134.89532	1.6
135.90207	1.5
136.01656	64.3
137.02441	1.2
138.03239	1.7
146.03741	1.8
149.06058	2.3
151.04001	100.0
152.04333	2.8
159.04515	44.4
160.04883	1.6
161.06081	4.3
162.03212	2.5
163.03976	2.8
164.04773	1.4
172.05278	4.7
173.04640	2.1
173.06076	28.9
174.06824	7.1
175.03998	1.2
176.04767	1.4
177.05573	4.1
180.34908	1.2
181.05173	1.3
188.04839	2.4
189.05519	1.3
189.09155	3.1
191.07191	1.8
203.07144	2.0
222.77428	1.2
226.03098	1.3
235.07593	1.5
236.06818	1.8
265.05060	2.0
279.06635	5.6
280.07327	5.1
281.08038	1.1
294.08929	3.6
295.09692	6.7
296.09854	1.2
304.92596	1.1
309.11203	3.5
310.08493	1.2
311.12704	1.6
325.10803	8.8
340.13150	18.4
341.13574	3.0
348.00525	1.3
358.14108	8.7
380.80127	1.3
392.13052	1.3
394.18127	1.7
409.20151	11.6
412.18848	2.3
427.21228	34.2
428.06778	2.7
428.21536	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	427.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.3
59.95935	0.4
61.98831	1.3
65.21668	0.4
71.54646	0.5
85.73884	0.4
99.92596	6.1
100.93362	3.5
104.43135	0.4
115.92084	100.0
116.92088	4.7
116.92875	6.9
132.92345	1.4
168.86223	0.4
172.95480	5.3
194.81848	0.4
213.19756	0.6
253.21638	1.1
326.18793	0.8
367.33139	0.8
379.15909	1.2
427.17932	4.8
428.18555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17438	0.5
59.01369	0.9
61.98824	1.5
63.35623	0.4
67.01885	1.0
68.99822	0.8
71.94863	0.4
83.01387	1.1
89.66888	0.4
90.16099	0.5
95.01394	2.1
96.48602	0.4
108.02166	2.8
109.02228	0.9
109.02952	12.4
111.00892	5.3
114.75150	0.4
121.02957	3.9
123.00886	10.4
123.04510	2.3
124.01682	10.6
133.02943	0.5
134.03795	0.7
135.04517	0.9
136.01678	2.5
137.02437	2.8
138.03239	2.0
139.00410	1.3
145.03001	0.6
147.04530	7.2
149.02458	0.7
150.03244	0.8
151.04019	4.2
152.01196	0.7
153.01920	1.2
158.03751	1.0
159.04518	1.6
160.05334	0.6
161.02446	3.4
162.03230	6.3
162.06821	0.6
163.04010	46.4
164.04482	1.9
165.01944	0.7
165.05527	0.9
173.02417	2.5
174.03168	2.5
175.04010	4.0
175.07610	1.0
176.04720	0.6
177.05580	14.6
178.05916	0.5
179.03499	1.0
187.03925	0.9
188.04779	5.1
189.05571	2.0
191.03453	0.7
193.05055	5.7
194.05550	0.7
195.06578	0.8
203.03502	1.4
205.05009	2.1
207.06676	1.5
267.06558	0.5
269.08087	0.9
269.66812	0.5
285.07697	0.5
295.06165	1.4
297.07776	1.9
298.08453	7.7
299.08978	0.8
309.07791	1.4
310.08365	1.0
313.07196	4.4
325.07214	1.0
327.08469	0.7
329.10504	0.7
340.09616	2.5
343.08179	5.2
344.08389	0.6
357.09836	3.2
358.10577	100.0
359.10880	8.9
427.17606	44.2
428.17969	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	427.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90310	0.8
59.01375	6.3
61.98805	2.3
67.01889	22.0
68.99791	0.9
69.81104	1.8
69.81492	1.4
69.95956	0.6
83.01362	1.8
90.13611	0.7
91.03977	1.9
91.76332	0.7
93.03448	0.7
95.01350	3.0
108.02177	3.4
109.02259	1.0
109.02954	12.3
111.00882	5.6
116.05048	0.8
116.92807	0.8
119.04994	0.9
121.02956	11.1
123.00874	13.5
123.04484	2.0
124.01675	10.7
135.04489	1.2
136.01630	5.6
137.02359	1.9
138.03166	1.9
139.00316	2.0
140.97362	0.7
142.28246	0.6
145.02885	1.0
147.04517	7.4
149.02403	2.2
150.03159	0.8
151.04007	6.0
159.04494	1.8
160.98595	0.7
161.02412	3.2
161.05975	0.8
162.03191	5.6
162.28662	0.9
163.04007	42.6
164.04401	1.6
165.05600	1.0
173.02347	2.2
173.05882	0.7
174.03151	1.9
175.03943	4.5
175.07593	1.3
177.05547	12.9
179.03487	1.0
187.03911	1.1
188.04793	3.6
189.05566	22.7
190.05902	0.8
193.05035	4.0
203.03499	2.7
205.05072	1.3
207.06519	1.2
221.15453	7.5
261.05679	0.7
267.06564	1.0
269.08237	0.7
295.06113	1.5
297.07468	1.2
298.08527	6.3
309.07660	1.4
310.08252	1.2
313.07303	4.1
325.07101	0.8
327.08630	0.8
329.10449	1.1
340.09412	3.1
343.08228	3.9
357.09711	2.1
358.10559	100.0
359.11032	9.6
409.16431	2.1
427.17603	38.5
428.18054	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	427.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01715	1.0
61.98834	0.5
69.65610	2.8
71.01389	1.4
85.02958	1.9
89.02461	0.6
90.90854	0.4
90.99838	0.5
100.55224	0.5
103.43472	0.5
125.02435	0.4
134.03752	1.2
135.04533	0.5
146.88837	0.5
148.05289	10.6
163.07649	13.3
167.03578	1.1
173.04408	0.6
179.03378	0.6
191.05638	0.5
199.79317	0.5
205.03479	0.5
223.13460	1.2
233.11447	0.4
267.12543	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.8
61.98831	1.3
69.91261	1.3
71.01382	1.1
71.05042	0.4
72.99309	0.3
73.02950	0.9
75.00870	0.4
75.03665	0.2
78.95881	0.3
81.03472	1.1
85.02956	1.4
89.02469	1.1
89.03978	0.7
91.05530	0.6
93.03472	1.0
96.96011	0.7
99.04517	1.8
101.02464	0.9
113.02423	1.2
115.92033	0.3
116.92863	0.9
117.03465	1.3
119.03508	0.3
119.05035	1.8
121.02955	12.5
122.03278	0.4
125.02500	0.4
132.02153	1.6
134.03711	0.4
135.04526	6.0
137.02464	0.6
141.01918	0.4
143.03516	0.7
145.02905	0.5
147.04509	6.0
149.02440	78.3
150.02776	2.8
152.01123	0.8
161.02428	1.1
161.04591	1.0
163.04048	2.2
164.04790	52.2
165.05119	2.4
167.03444	0.3
179.03506	5.7
179.05592	1.1
179.07024	3.6
190.02728	1.3
191.05594	0.5
193.01483	0.7
203.05762	0.3
205.04999	1.4
208.03773	2.7
221.06645	3.7
221.11707	0.4
223.06107	100.0
224.06448	5.7
265.10785	0.9
279.08694	0.4
323.11343	0.3
367.10306	0.3
369.04437	0.3
385.11404	1.7
391.19772	0.3
427.11771	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	427.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.5
57.03443	3.0
59.01377	15.9
61.98832	38.1
69.03455	3.4
69.82012	6.0
71.01385	52.3
72.01701	1.4
72.99285	1.7
73.02952	17.9
75.00861	2.3
78.95897	4.8
81.03455	5.2
83.01392	18.5
83.05029	30.6
85.02956	24.3
87.00883	2.8
89.02431	4.6
93.03461	41.1
94.03790	1.6
95.01389	11.2
96.96015	9.7
96.96961	2.6
97.02977	1.4
99.00906	9.3
99.04509	4.0
101.02446	23.5
103.47592	1.7
108.02180	81.2
109.02965	59.0
110.03291	1.6
111.00879	22.2
111.04526	100.0
112.04878	3.1
113.02449	21.4
114.05583	5.1
123.00864	3.7
123.04522	10.5
125.02431	5.8
127.03962	1.7
128.03487	1.7
133.02989	2.2
135.04523	8.4
137.02454	48.3
138.02829	1.7
139.04045	2.5
143.03555	3.8
149.02473	11.1
150.06990	1.5
151.04042	6.8
155.02266	3.1
155.03517	56.6
156.03899	1.5
159.02948	6.7
161.02484	3.7
161.04552	54.0
162.04895	2.0
163.03992	4.6
164.04858	2.1
167.03528	2.4
173.04565	20.8
175.04045	3.2
191.01726	1.3
191.05629	1.7
203.03394	1.5
209.02777	5.6
221.04706	2.6
221.06688	8.6
223.06062	4.3
253.01749	2.2
263.19037	1.5
266.06537	2.7
271.08249	20.1
271.11029	2.5
272.08502	2.5
277.13589	1.5
281.06631	2.3
299.07700	6.3
309.51224	1.6
329.08719	6.6
367.18860	2.2
391.10257	3.1
427.08371	5.8
427.13455	2.5
428.11948	2.5
435.45370	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75216	0.5
50.92903	0.5
59.01382	13.5
59.10818	0.6
61.98830	2.4
65.00301	0.5
67.48800	0.6
69.65183	4.0
71.01381	4.7
72.99284	0.7
73.02953	1.5
75.00900	0.8
81.03474	1.4
85.02949	2.5
87.00856	0.6
89.02429	3.7
89.03960	0.7
91.05544	0.9
93.03445	1.1
93.43806	0.6
96.96020	2.5
99.00848	0.7
99.04539	2.0
99.92547	0.9
101.02465	2.1
109.02965	0.5
113.02451	2.6
115.92091	1.3
116.92867	2.1
117.03455	1.2
119.03490	1.2
119.05000	4.8
121.02967	13.7
132.02165	1.7
133.02933	0.6
135.04526	18.0
136.04865	0.9
141.01909	1.0
143.03548	1.6
147.04532	5.7
149.02440	78.6
150.02805	2.1
151.04007	1.0
152.01173	1.0
158.93951	0.9
161.02443	2.4
161.04561	2.4
163.03972	3.7
164.04790	57.7
165.05124	2.0
175.76392	0.6
179.03499	16.1
179.05579	2.3
179.07111	3.1
180.03838	0.7
190.02802	1.4
193.05049	0.7
205.05054	1.2
208.03775	2.0
221.06656	5.1
223.06116	100.0
224.06468	5.3
257.86752	0.6
366.75238	0.7
385.11246	1.2
427.11917	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	427.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	49.2
61.98835	1.9
69.03487	0.7
71.01389	2.9
71.05016	1.1
71.54974	0.6
72.99302	1.6
73.02946	3.6
75.00878	5.1
81.03461	6.8
83.01373	0.8
84.02137	0.7
85.02956	2.2
87.00879	1.9
89.02419	0.9
89.04018	0.9
91.05543	0.7
93.03453	1.7
97.02972	0.9
99.00882	1.1
99.04523	16.7
101.02482	0.8
101.67088	0.5
111.24586	0.6
113.02423	0.7
114.76752	0.5
117.03524	0.8
118.05341	0.5
119.05048	1.3
121.02956	10.6
122.03851	1.1
124.06344	0.5
125.02451	1.5
127.33065	0.6
132.02164	2.1
133.02969	0.7
134.03775	0.7
135.04482	2.2
137.02478	1.8
138.03221	1.4
138.05653	0.6
141.01912	0.8
143.03500	3.9
147.04507	5.3
149.02441	73.9
150.02805	3.0
151.03958	1.0
153.05525	3.4
161.02486	0.8
161.04590	6.2
163.04022	2.4
163.07666	1.3
164.04799	63.4
165.05116	4.1
166.02650	1.0
175.00342	3.8
176.00891	0.6
177.01881	0.7
177.05525	1.0
179.03413	0.6
179.04008	0.6
179.05592	6.9
179.07146	13.0
179.10770	12.3
180.07513	0.7
190.02730	10.9
191.03267	1.1
192.78629	0.5
193.01459	1.5
193.08653	1.1
203.05643	1.5
205.05061	13.4
206.05309	0.9
207.02892	1.1
208.03830	3.5
219.27794	0.6
221.06668	28.4
222.06989	1.0
223.06126	100.0
223.09740	5.2
224.06436	6.1
235.09666	1.1
249.07640	4.8
264.06412	1.0
277.10696	0.8
279.08768	3.6
293.06708	0.7
299.82047	0.7
305.10272	6.5
308.09012	0.7
323.11337	19.6
324.11710	1.5
367.10336	6.8
384.17596	0.5
385.11392	4.9
427.12354	2.7
427.16733	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	427.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27288	0.4
59.01373	1.8
61.98816	1.0
67.01894	0.8
67.41013	0.5
69.20422	2.0
69.20846	2.8
71.01361	1.1
85.02945	1.8
87.00893	0.9
88.98794	1.8
90.31154	0.5
93.03454	7.3
101.02446	0.5
109.65219	0.5
111.04501	1.4
113.02518	0.5
119.04990	0.8
127.04010	0.6
135.04526	28.4
136.04863	1.0
137.02399	1.4
145.02910	1.1
147.04530	3.9
155.03552	1.5
158.03706	0.6
161.02434	6.7
162.03102	0.6
163.04005	22.5
164.04396	0.6
173.04546	11.2
174.03186	0.8
174.04713	0.6
175.03995	14.2
176.04604	0.9
181.03265	1.5
182.63863	0.6
191.01743	11.5
191.05605	13.0
192.02058	0.6
192.99593	0.9
194.00397	0.6
209.02768	100.0
210.03069	4.5
216.99550	0.6
235.00775	3.0
239.22340	0.5
253.01755	46.4
254.02098	3.0
302.21985	0.5
409.05630	0.6
427.07013	36.6
428.07269	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	427.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
60.99286	0.6
61.88115	0.6
65.49826	0.5
67.01870	1.2
69.58906	3.3
71.01385	1.0
83.05049	0.6
85.02936	6.8
87.00868	4.1
88.00346	0.6
88.98793	1.9
90.33825	0.5
91.13148	0.6
91.94712	0.6
93.03447	8.5
98.19992	1.0
109.02958	0.8
110.11835	0.5
111.04514	2.4
119.05025	0.7
122.98016	0.5
127.03973	1.5
135.04524	17.8
136.04813	0.6
147.04520	5.1
155.03482	0.8
161.02440	23.7
162.02838	1.0
163.04015	13.2
173.02318	1.0
173.04543	5.0
174.03178	1.0
175.03996	14.3
181.03278	1.3
181.39133	0.6
191.01819	9.0
191.05602	61.8
192.05879	2.3
192.99620	1.5
201.01898	1.3
209.02763	55.5
210.03148	3.3
216.99570	2.6
235.00684	16.3
236.01064	1.0
253.01709	9.5
254.02159	0.7
255.17062	0.6
260.41046	0.5
345.76563	0.6
427.06989	100.0
428.07327	10.1
433.69348	0.6
441.23370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.07
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01377	3.4
61.98831	3.7
70.64624	1.2
71.01374	2.1
73.02928	2.1
78.95907	0.8
79.95735	0.5
83.01385	0.8
83.05020	0.5
85.02954	2.1
87.00871	0.8
88.98814	0.4
93.03441	1.2
96.96008	28.8
96.96928	3.4
99.00862	0.6
101.02416	2.7
108.02150	0.5
111.04510	1.2
113.02428	1.1
114.05627	0.4
119.04971	0.4
121.85900	0.4
125.02473	0.6
131.95779	0.4
134.03691	0.5
135.04517	32.0
136.04832	1.0
136.86534	0.4
137.02440	0.7
140.20845	0.4
143.14235	0.4
145.02945	1.1
145.06233	0.6
147.04517	2.6
147.27748	0.4
148.05254	0.4
149.06102	0.5
155.03430	1.0
157.02966	0.6
158.03712	0.7
161.02423	4.3
161.04526	1.0
162.03212	0.9
163.04001	21.8
164.04271	1.0
167.03479	1.7
173.04512	2.5
174.03250	0.7
175.03987	16.5
176.04591	1.3
181.03300	1.8
191.01735	10.8
191.03465	0.9
191.05565	5.5
192.02019	0.7
192.99663	0.6
194.02216	0.5
203.07086	0.4
208.03741	0.6
209.02757	100.0
210.03111	5.0
220.03714	3.5
221.08122	0.8
235.00792	1.8
235.05997	2.3
235.11821	3.6
250.04872	0.8
253.01743	32.3
254.01976	1.3
265.07178	6.9
266.07291	0.4
329.08667	0.6
367.16022	8.5
368.16431	0.7
427.06998	47.0
427.12152	2.5
427.21780	0.8
428.07367	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	425.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01710	1.5
60.32909	0.8
61.98823	3.0
64.82485	0.8
66.40941	0.8
69.46117	3.5
69.46540	2.1
71.01395	0.8
291.19620	3.9
309.20688	2.0
310.06854	0.8
396.61444	0.9
406.51163	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27349	0.7
59.01374	3.4
61.98829	5.6
70.00005	3.2
71.01364	2.8
73.02944	1.2
75.00867	1.4
78.95901	5.8
79.95731	1.1
81.03460	0.9
83.01403	1.5
83.05013	0.7
85.02943	3.3
87.00871	2.2
88.98800	2.9
89.02439	0.8
91.11571	0.7
93.03461	3.7
96.96011	100.0
96.96922	10.6
98.20518	1.0
101.02428	1.3
111.04518	1.9
112.96697	0.7
113.02465	1.3
123.04514	1.6
129.01903	0.9
134.03732	0.7
135.04518	20.0
135.05531	1.5
136.04874	0.8
141.81204	0.6
145.06209	1.2
147.04520	2.5
148.05273	1.1
155.03484	1.0
161.02428	11.0
163.04008	16.3
163.07616	1.6
164.04391	0.7
167.03474	6.7
173.04539	2.8
174.03204	0.7
175.03989	12.6
176.40991	0.6
181.03264	1.3
188.04842	1.0
191.01756	7.2
191.05611	21.7
192.05957	0.8
205.12257	1.1
209.02768	60.1
210.03105	4.3
216.99716	1.2
220.03786	2.2
222.65340	0.7
235.00723	5.1
235.05907	0.9
253.01753	17.9
254.02118	1.2
265.07150	3.9
303.07220	0.8
329.08792	1.9
383.13437	0.8
427.07043	48.9
427.12332	4.3
427.21906	1.1
428.07404	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	425.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.2
59.01383	100.0
61.98841	6.5
69.58347	3.9
69.58759	1.8
71.01015	1.4
71.01387	22.3
73.02953	6.3
80.98412	0.8
83.01398	2.9
85.02967	8.5
87.00869	1.2
87.04478	0.9
89.02459	7.2
95.01385	1.3
96.75584	0.8
98.19989	1.7
98.53422	0.8
99.00874	2.8
101.02454	20.0
110.96726	0.8
113.02440	10.9
117.78036	0.7
119.03494	2.8
135.04517	2.0
143.03465	1.3
147.12111	0.8
159.02992	3.1
161.03265	1.5
161.04562	27.8
176.07387	0.8
179.05565	1.3
203.12866	8.9
220.69890	0.8
236.19272	0.8
271.64404	0.9
297.42682	0.8
363.16183	0.9
365.18161	46.5
366.18439	4.4
407.07529	1.0
425.20383	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	425.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
56.36150	0.5
57.03452	0.8
59.01382	100.0
60.01709	0.9
61.98833	26.3
62.30662	0.6
71.01382	14.5
71.20467	0.8
73.02944	4.4
75.00874	4.3
83.01418	1.9
85.02948	6.4
87.00882	1.0
89.02452	3.1
94.98106	2.1
95.01440	0.9
96.96021	0.9
97.02998	0.8
99.00917	2.0
100.00367	0.9
101.02440	10.3
109.02979	0.8
113.02458	6.2
119.03526	1.5
123.04493	0.7
125.02454	1.6
128.03561	1.8
135.04530	25.7
137.02454	0.9
143.03517	1.0
144.03088	1.1
151.04036	1.4
159.03018	2.2
161.04564	14.5
175.04089	1.0
177.01938	0.8
179.05539	0.8
187.04068	0.8
203.12907	1.9
231.59868	0.6
255.03113	1.1
264.08826	7.4
363.16779	2.2
365.18149	37.2
366.18573	4.0
407.07675	4.3
425.20132	1.0
426.14252	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	425.197
Annotation	andilesin D
Peak:m/z	Relative Intensity
53.06724	0.5
55.54856	0.5
59.01366	0.6
61.98816	1.6
67.01892	2.1
68.99818	3.9
82.95407	0.8
83.01405	0.5
93.03448	2.8
93.08390	0.5
95.01402	1.2
98.32873	0.5
102.54350	0.5
107.01388	0.9
108.02170	3.1
109.02967	3.9
111.00872	1.1
115.12575	0.6
117.03483	2.4
121.02959	22.9
123.00886	10.7
123.04528	6.4
133.02960	2.9
134.03711	1.0
135.04526	1.9
136.01662	65.7
136.05270	3.0
137.02054	2.2
138.03226	14.5
145.02994	0.6
147.04489	1.1
149.06020	0.7
151.04007	100.0
152.04298	3.2
160.05238	0.7
161.02432	7.3
161.06010	0.6
162.03232	11.6
163.04012	5.7
164.04727	0.6
167.03510	0.5
168.04271	1.0
174.03218	2.3
175.03967	3.2
176.04596	0.5
177.05553	23.7
178.05818	1.1
179.03514	3.8
187.04013	1.2
188.04765	0.6
189.05542	4.6
190.06320	1.9
193.05028	11.8
194.05879	1.0
203.07208	0.7
204.04240	0.5
219.10178	0.8
240.04190	0.5
255.06671	3.3
270.08932	4.7
311.09183	1.9
341.10294	2.3
356.12622	54.6
357.13193	9.2
393.13544	0.5
410.17331	4.8
425.19666	33.1
426.20071	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99456	1.8
57.03430	2.1
59.01378	100.0
61.98832	11.3
69.79443	6.4
69.79861	2.0
71.01380	49.8
72.99317	2.1
73.02940	9.5
83.01382	5.8
85.02943	17.1
87.00859	2.3
87.04499	4.1
89.02443	41.1
92.69243	1.5
95.01393	3.0
97.06577	6.2
98.20620	3.0
99.00874	2.4
101.02435	34.3
101.03095	1.9
109.06577	3.0
113.02449	22.4
119.03490	18.8
131.03508	4.5
137.02408	3.2
143.03461	5.0
159.02940	3.0
161.04570	23.4
167.10768	2.0
179.05659	12.7
194.68401	1.4
203.12830	4.8
212.11790	1.6
221.06654	3.9
254.41025	1.6
256.03766	1.9
259.64203	1.9
277.12891	4.7
311.22107	1.6
327.41202	1.6
365.18161	97.4
366.18637	9.0
407.07620	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	425.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	96.7
61.98825	41.6
65.54207	11.4
65.54694	12.4
71.01360	14.1
71.54710	15.5
87.00916	12.3
89.02406	31.5
89.69987	11.9
94.75394	13.6
109.02900	16.0
112.90078	13.8
125.02386	18.0
137.02437	31.7
138.06830	13.8
149.04521	46.8
159.04449	13.1
173.04631	12.2
176.04764	50.4
177.09207	26.3
191.05603	32.2
203.12828	13.5
205.08662	42.1
231.10197	33.9
249.04321	23.8
249.11319	100.0
293.10223	18.6
322.83560	13.6
365.21921	19.0
407.07471	23.8
425.14267	19.6
425.19382	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00570	1.5
59.01381	20.3
59.03600	1.6
60.89613	1.6
60.99310	4.7
61.98841	7.5
63.06264	1.6
65.61287	1.5
71.01376	12.0
71.55405	1.7
72.04536	2.8
72.99290	1.5
82.02995	8.0
83.01387	2.3
85.02950	5.4
88.98802	26.0
89.02451	11.0
95.05036	2.6
100.04041	2.0
101.02436	8.5
113.02456	5.6
119.03510	6.6
120.05809	1.8
137.09712	4.8
147.11780	4.1
149.06145	1.9
163.11252	4.4
164.79346	1.7
177.09122	2.1
189.12895	4.1
191.10692	1.8
196.06146	2.3
209.11816	44.8
219.13873	17.7
227.12936	4.0
242.06705	6.2
273.08624	1.7
275.09204	2.8
389.18146	100.0
390.18304	8.8
394.14990	1.6
425.18561	2.1
426.17752	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	425.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	96.7
61.98825	41.6
65.54207	11.4
65.54694	12.4
71.01360	14.1
71.54710	15.5
87.00916	12.3
89.02406	31.5
89.69987	11.9
94.75394	13.6
109.02900	16.0
112.90078	13.8
125.02386	18.0
137.02437	31.7
138.06830	13.8
149.04521	46.8
159.04449	13.1
173.04631	12.2
176.04764	50.4
177.09207	26.3
191.05603	32.2
203.12828	13.5
205.08662	42.1
231.10197	33.9
249.04321	23.8
249.11319	100.0
293.10223	18.6
322.83560	13.6
365.21921	19.0
407.07471	23.8
425.14267	19.6
425.19382	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
78.95880	0.7
98.19834	1.3
109.02950	1.9
110.00454	0.6
115.92053	0.7
117.03448	1.0
121.02971	3.2
123.04475	0.9
133.02937	1.9
135.04532	0.8
136.01633	2.8
142.24843	0.6
147.04445	1.0
149.02356	1.0
151.03975	1.8
154.04181	0.9
156.02173	1.1
161.02411	1.7
162.03116	1.1
164.98248	0.9
175.03920	1.3
177.05556	1.4
179.03523	1.4
180.00644	0.8
182.03638	0.9
186.03146	0.8
198.03191	3.0
213.05486	0.9
226.02679	2.7
229.04947	1.9
242.02219	8.0
254.02240	0.9
257.04645	1.1
270.01682	60.7
271.02167	5.0
285.04044	26.2
286.04324	1.9
298.01212	8.0
299.01587	0.9
313.03525	81.0
314.03818	6.1
318.76459	0.7
328.05859	47.3
329.06128	3.8
341.10239	1.2
343.08206	100.0
344.08585	9.0
356.12680	9.7
357.13245	3.2
410.16684	0.6
425.19669	5.7
426.19940	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01406	2.2
61.98818	4.8
63.87104	1.6
64.41280	1.7
71.54118	2.1
77.68631	1.5
78.95930	1.9
86.35660	1.5
103.21144	1.3
124.85065	1.5
154.04245	3.1
156.02161	4.3
164.98283	2.1
182.03690	2.1
186.03191	3.9
198.03226	5.0
214.02623	2.2
226.02736	4.1
229.05109	3.6
242.02211	18.5
245.46509	1.5
257.04480	2.0
270.01697	84.0
271.01950	6.8
285.04013	31.6
286.04398	2.1
298.01129	6.5
313.00784	2.1
313.03525	74.3
314.03992	6.0
328.05862	100.0
329.06064	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	424.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18853	0.4
57.03453	5.6
58.02975	1.0
59.01382	1.3
61.98833	3.5
65.03976	1.3
69.33014	3.9
70.02996	1.1
71.01386	0.5
71.09896	0.4
72.04561	2.0
73.02937	1.1
75.16385	0.4
79.05540	0.8
82.02986	1.1
84.04552	3.7
85.02956	1.7
89.02475	0.7
89.64268	0.4
93.07101	1.8
96.04556	1.4
98.02507	1.7
98.06123	2.4
105.07112	0.8
112.07693	0.5
114.02711	0.4
114.05610	4.6
118.67522	0.5
119.05001	0.5
123.04592	0.4
126.05592	0.7
130.08720	1.0
131.03491	1.1
133.10242	28.2
134.10573	1.6
135.01881	0.5
135.04630	0.5
143.04930	0.5
148.07658	0.4
149.02496	0.4
149.04581	1.9
156.10298	1.2
159.08089	2.7
161.02396	0.6
164.04675	0.4
174.73132	0.4
176.10808	1.7
184.06224	0.4
188.10774	0.9
190.12282	2.7
218.83351	0.4
230.15524	0.7
232.13409	2.7
246.14879	0.6
248.16560	6.7
249.16884	0.6
292.15546	100.0
293.15918	9.5
424.19748	14.1
425.20316	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	424.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38989	0.3
55.95815	0.4
57.03458	0.6
59.01392	2.2
61.98831	100.0
62.75555	0.4
65.16701	0.4
68.05915	0.4
69.36484	3.2
71.01376	1.0
73.02946	0.5
83.01405	0.5
83.21666	0.3
85.02971	2.3
101.02457	0.4
108.02241	0.5
113.02497	0.6
114.05668	0.6
115.55679	0.4
119.05029	0.5
127.52449	0.4
129.02000	0.8
133.10233	3.7
134.03754	0.8
135.04535	1.6
149.04602	1.5
152.01176	0.4
161.02425	0.8
167.03490	0.8
179.03511	1.6
193.05130	0.5
203.10902	0.5
225.83304	0.4
227.07088	2.3
248.16634	2.5
292.15692	1.0
293.10419	0.7
361.18695	3.0
389.12662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10406	0.4
57.03452	4.9
58.02967	0.8
59.01387	2.6
61.98830	10.0
64.12584	0.4
65.03974	1.1
69.42473	3.5
69.63951	0.5
70.02969	1.3
71.01384	1.2
72.04531	1.6
76.03722	0.5
78.03940	0.4
82.02965	1.5
83.01385	1.1
84.04554	2.7
85.02944	4.1
87.00862	0.6
93.07094	1.5
96.04548	1.2
98.02473	1.0
98.06120	0.9
101.02435	0.6
101.49921	0.5
109.02945	0.5
111.00879	0.7
112.07661	0.8
113.02524	0.5
114.05602	4.0
119.05013	0.9
123.04543	1.0
125.02400	0.8
129.01901	0.8
130.08723	1.5
131.03496	1.3
133.10233	21.2
133.87187	0.5
134.03737	0.6
134.10548	1.0
135.04518	3.3
136.05357	0.6
145.02934	1.0
149.02458	0.4
149.04521	0.4
152.01137	0.7
156.10278	1.9
159.08179	2.3
161.02455	1.2
163.03978	1.6
163.30807	0.5
167.03496	3.2
174.54817	0.6
176.10818	1.2
179.03505	4.1
190.12402	2.7
190.13878	0.5
191.02060	0.6
205.05063	0.8
232.13484	2.4
248.16570	5.0
265.07184	0.8
292.15546	100.0
293.10574	0.6
293.15842	9.0
322.51770	0.5
381.37735	0.5
424.07437	0.7
424.19815	7.1
425.19223	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35287	0.3
59.01373	3.0
61.55245	0.3
61.98820	2.0
65.99842	0.4
69.85807	0.7
69.86205	0.7
71.01379	0.9
73.02950	0.6
85.02946	0.9
88.98804	1.7
89.02428	0.7
93.03454	0.6
96.95998	0.4
101.02448	0.5
101.06057	0.4
108.02123	0.4
109.01128	0.6
113.02530	0.4
118.02963	0.9
119.05000	0.3
120.01342	0.5
120.99763	0.4
121.02942	0.5
131.03764	0.7
132.02200	0.3
133.02965	0.8
134.03760	0.3
135.04515	0.3
136.02249	0.8
137.00641	1.3
137.02400	0.4
141.48116	0.2
142.34315	0.3
146.02446	1.7
148.02251	0.6
148.99423	0.5
149.02463	0.3
150.00166	2.0
162.00212	0.4
163.99380	5.4
164.01709	3.8
165.00150	7.5
173.04434	0.5
176.01239	1.1
176.98811	0.7
177.00348	0.8
177.01913	14.8
177.99673	10.4
178.99927	0.5
185.81282	0.4
187.07611	0.3
187.09753	0.4
190.00984	0.8
191.00449	10.2
191.05556	1.9
192.01233	30.2
193.01561	1.4
204.01250	1.0
205.01956	0.6
205.08582	0.3
219.00027	0.6
248.03847	100.0
249.04175	6.9
249.11455	0.5
250.01886	0.5
261.13303	0.4
292.02847	35.2
293.03146	2.2
339.07254	0.7
381.08264	2.0
424.07028	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	424.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.4
59.01388	1.9
61.98829	100.0
71.01380	1.2
71.55244	0.4
73.02938	0.5
85.02968	1.5
87.00893	0.4
88.98817	2.0
89.02446	0.7
96.95975	0.3
101.02436	0.5
121.03036	0.5
123.00847	0.3
123.04486	0.3
123.07986	0.4
125.02388	0.4
129.01920	0.7
130.28502	0.4
135.04536	1.5
137.02492	0.4
137.09747	0.9
147.64012	0.3
152.01173	0.8
155.10809	3.5
167.03493	1.7
175.02547	0.8
179.03552	1.1
187.07700	0.5
199.09749	5.9
209.12137	0.4
211.07584	0.7
219.13931	0.7
275.09149	0.4
275.74631	0.3
296.14236	0.3
361.15210	0.9
368.52997	0.4
389.18225	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28795	0.3
57.51689	0.3
61.98830	0.4
64.79694	0.3
78.95901	11.5
89.30511	0.3
94.29106	0.3
104.97572	0.4
110.98534	8.3
132.91133	0.3
137.00044	0.3
138.79710	0.4
152.99565	0.4
163.11314	1.5
167.01146	8.9
185.02173	2.2
210.32254	0.3
255.23282	100.0
256.23645	7.4
339.23346	1.0
389.28122	1.2
423.25143	18.1
424.25375	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	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15572	0.3
58.84248	0.3
70.39117	0.7
75.73979	0.3
78.95899	12.5
98.20629	0.3
104.97451	0.8
107.16300	0.3
110.98526	9.9
134.32919	0.3
147.17551	0.3
152.99544	0.6
167.01143	11.1
185.02174	2.4
232.03482	0.3
255.23279	100.0
256.23590	8.2
380.91974	0.3
385.55490	0.3
396.16544	0.3
423.25165	23.0
424.25577	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	423.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	52.3
60.54563	1.9
61.98837	11.3
67.01894	3.0
68.02872	2.0
69.56354	4.9
69.56767	7.6
71.01366	10.9
72.99283	3.0
73.02946	17.3
73.42351	2.0
79.95757	1.8
85.02961	8.9
88.98808	2.1
89.02428	4.9
93.03455	18.0
98.20641	2.9
101.02444	3.3
109.02953	4.3
111.04547	4.4
113.02465	5.5
117.03424	3.0
119.03584	2.5
119.05035	32.7
120.98768	4.8
120.99652	100.0
125.09742	2.0
127.03991	2.7
135.04575	2.3
137.02412	3.4
145.02951	7.4
146.03662	2.6
149.04550	5.7
155.03526	3.7
163.04001	45.6
164.04373	2.9
173.04536	68.2
181.12321	2.5
191.05606	11.9
192.01237	4.7
199.13295	3.9
201.11505	2.1
215.05591	3.8
229.08652	2.4
233.06625	48.7
243.12407	18.7
248.03873	12.9
267.11404	3.1
273.07816	3.7
302.90225	2.1
303.13263	2.2
319.08273	4.0
337.09265	4.6
354.06683	2.2
379.10233	16.7
423.17621	12.4
423.22668	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	423.179
Annotation	WF 10129
Peak:m/z	Relative Intensity
52.11255	5.8
59.01375	21.9
61.98820	24.5
72.41615	6.2
75.78240	6.3
85.02948	9.5
93.03454	7.4
94.06846	6.4
109.02909	7.4
137.02299	7.3
149.04509	17.2
191.05585	10.0
211.07693	13.9
247.09605	6.7
275.09192	7.4
321.06714	6.9
423.17899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34851	0.3
56.44494	0.3
58.84074	0.3
59.01381	100.0
60.01715	0.9
63.82552	0.3
67.36512	0.3
71.01393	1.0
71.24174	0.6
73.02943	0.4
74.19741	0.3
75.07471	0.3
85.02969	0.8
87.04511	0.5
88.98811	0.4
89.02490	0.6
101.02457	0.6
108.02177	0.3
111.00934	0.4
113.02500	0.3
113.32513	0.3
135.04526	1.0
135.29311	0.4
161.04608	0.5
163.04021	0.4
163.11240	0.4
179.03574	0.7
207.10336	0.9
217.12430	0.5
287.01489	0.4
306.94550	0.3
321.19333	1.2
331.40903	0.3
363.20160	1.5
384.69440	0.4
387.16660	0.6
414.97455	0.3
423.20874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48522	1.3
58.02970	5.8
59.01382	20.6
61.98821	1.6
62.79924	1.4
69.77122	8.0
71.01387	6.1
74.02478	12.4
82.94793	1.5
83.93826	1.5
85.02956	3.5
86.02473	5.3
87.00890	1.8
87.05638	4.3
89.02444	5.8
91.29588	1.3
99.05646	10.7
101.02441	2.9
102.05617	2.0
113.02449	1.7
115.87065	1.5
115.91920	1.4
119.88067	1.3
120.99659	1.7
123.05698	2.0
125.03584	2.1
127.05151	2.4
128.03528	36.9
134.06493	1.4
135.05647	2.3
137.02443	1.8
141.06709	3.3
143.04617	49.1
145.02959	8.0
145.06171	2.8
146.04568	4.4
149.02434	1.6
150.03203	2.9
153.06665	1.6
160.00748	15.9
163.03981	1.7
165.05576	3.0
166.09825	1.8
167.04634	3.8
173.04593	1.5
177.03406	2.9
179.04611	9.6
191.05571	4.1
207.06644	3.3
210.08842	11.4
218.08333	1.7
242.08025	2.7
254.07805	10.3
257.73346	1.3
260.09378	3.6
272.08884	21.9
288.06488	7.5
306.07651	100.0
307.08081	6.8
360.11765	1.9
404.15057	3.9
422.14569	1.7
422.24063	2.6
423.18631	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	423.1604
Annotation	Riccardin B
Peak:m/z	Relative Intensity
51.87729	7.3
53.31558	8.4
57.03437	11.9
57.49558	7.9
59.01377	100.0
61.98829	23.0
71.01380	32.5
72.16387	7.0
73.02948	35.1
85.02963	49.7
87.04501	8.0
89.02478	19.3
90.71562	6.3
94.42352	9.0
96.96016	63.3
101.02428	10.9
103.31992	6.8
108.02173	16.3
113.02477	8.6
119.03487	7.1
125.02434	6.7
129.01920	10.1
178.80565	7.7
187.09740	24.9
191.01889	12.5
201.11340	58.4
243.12196	14.0
261.13446	37.9
363.16632	16.0
423.09659	87.8
423.16214	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67819	0.3
59.01380	7.2
61.98829	100.0
67.85947	0.3
71.01392	3.0
71.53348	0.4
73.02954	1.0
74.02520	0.3
75.00883	0.5
77.46257	0.3
78.95912	3.4
80.48632	0.3
83.01389	0.4
85.02973	1.2
86.26281	0.4
87.00902	0.4
89.02446	1.8
90.02812	0.4
93.03480	0.5
96.96019	5.6
96.96954	8.2
96.97596	0.4
101.02458	1.0
102.98630	0.4
113.02421	0.6
119.03492	0.8
119.05036	2.1
120.01251	1.0
128.03497	0.5
135.04492	0.3
137.02403	0.4
145.02995	2.3
149.04587	0.4
150.05597	0.4
161.04544	0.6
163.04031	2.3
173.04495	0.5
178.05151	0.4
178.69205	0.3
179.05664	0.4
191.05637	1.0
200.99625	0.6
231.35020	0.4
260.09366	1.0
261.00812	0.4
264.64453	0.3
285.12601	0.5
309.08298	0.3
329.11298	0.5
331.09326	0.3
337.09305	0.6
343.05069	0.3
349.02759	0.3
353.96558	0.4
363.16705	1.3
378.12421	0.3
407.37149	0.4
411.78461	0.4
422.07452	0.5
422.14621	0.4
422.20999	0.8
423.19388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46464	0.8
59.01382	100.0
60.01722	1.0
61.98821	1.6
67.79643	0.7
69.62231	4.4
83.96542	0.8
94.51463	0.8
117.11403	0.8
176.63673	0.8
218.78256	1.0
234.59639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74994	0.4
61.41247	0.5
63.85079	0.5
71.54637	0.5
78.95908	2.5
80.91691	1.9
110.98515	3.6
121.28317	0.5
135.03288	0.4
163.11281	100.0
164.11606	5.6
167.01236	0.5
185.02205	5.9
224.44632	0.4
241.02568	0.5
253.21725	2.2
339.23264	74.9
340.23608	9.2
368.00937	0.4
379.21292	0.5
421.22781	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33925	0.4
59.01353	0.4
61.98835	0.9
69.37846	0.4
70.96585	0.5
70.96918	0.8
78.95906	31.5
80.96512	9.3
93.63232	0.4
96.96950	1.4
110.98537	10.9
133.98560	0.4
150.56630	0.4
152.99585	32.3
167.01152	10.8
171.00648	1.6
185.02196	3.3
200.03398	0.4
203.33159	0.5
253.21722	100.0
254.22057	7.9
421.23566	24.7
422.24011	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	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23789	0.3
61.98828	0.5
69.84809	0.3
69.89944	1.3
77.57292	0.3
78.95910	8.7
87.90988	0.3
91.71177	0.3
96.96960	0.5
98.20558	0.5
110.98527	3.5
152.99593	7.6
167.01128	2.4
171.00618	0.3
185.02219	3.5
207.15227	0.3
246.68425	0.3
251.24745	0.3
253.21725	100.0
254.22064	7.8
309.17709	0.3
316.84280	0.3
421.23611	10.8
422.24182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15842	1.2
53.45863	1.4
55.01880	1.7
57.03431	1.7
57.86388	1.2
58.00578	1.4
59.01381	100.0
61.98837	7.9
69.03424	1.7
71.01382	39.6
71.55831	2.1
72.99277	2.0
73.02950	61.7
75.00867	2.0
83.01388	17.9
85.02946	10.1
87.00881	3.6
89.02424	6.1
93.03451	1.8
95.01427	1.7
101.02441	54.5
109.02918	2.7
111.00865	3.7
111.34757	1.5
113.02452	14.0
119.03475	3.7
119.04965	2.6
121.02933	1.4
125.02413	3.5
131.03436	4.6
135.04446	4.1
143.03476	5.1
145.03001	1.5
149.04495	4.8
155.03455	3.2
155.09616	2.3
155.10791	35.0
156.11087	1.7
161.02391	4.3
161.04535	14.4
173.00847	2.4
173.04523	2.7
173.09653	4.3
179.03503	1.9
187.04012	1.9
191.05586	3.2
221.06551	2.5
230.02130	2.6
258.01688	58.7
258.99869	2.4
259.02448	41.5
259.09720	4.2
260.02765	2.3
377.18219	8.4
402.54587	1.6
421.07629	50.2
421.24213	5.6
422.07971	4.3
448.10889	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	421.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00580	1.9
59.01380	100.0
61.98830	3.1
69.65960	8.9
69.66367	4.8
72.18242	2.3
98.19887	2.8
116.92828	3.5
129.55869	2.1
142.05063	3.6
159.89349	3.5
421.09201	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	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96239	18.9
59.01381	100.0
62.73271	17.3
79.40997	17.0
85.02938	32.6
89.93166	19.8
107.84537	17.8
124.61800	17.0
149.04649	19.6
167.44986	18.6
206.15630	18.0
352.84338	18.0
421.15964	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	10.0
60.06829	1.7
61.98827	3.1
70.28989	6.9
71.01400	2.3
78.89099	1.8
85.02947	10.9
96.95995	4.6
101.02437	3.6
108.02180	92.2
109.02402	35.1
110.03283	8.6
122.02489	10.2
123.02843	2.5
129.01932	2.0
151.04019	2.6
152.01152	48.5
153.01553	30.1
154.02371	10.7
162.02693	2.0
187.05956	3.2
191.01920	4.1
215.03484	4.6
259.02435	3.2
335.20901	3.0
377.21667	2.4
421.09598	100.0
421.16278	28.2
422.09818	11.3
422.16336	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07835	3.6
53.45668	4.6
58.65531	4.0
58.73824	4.3
59.01383	19.5
59.86818	3.8
61.98827	16.1
67.01891	17.1
69.03436	4.3
70.72861	8.6
70.73201	5.9
71.01392	3.9
83.05023	4.6
87.00864	19.6
93.03455	97.8
93.04021	6.8
96.96023	10.3
102.03432	4.1
109.21236	4.0
111.04500	16.8
118.79779	4.2
131.96773	4.1
133.02931	4.0
137.02367	6.5
144.66075	4.2
168.95532	4.2
173.04547	100.0
173.06027	5.8
174.04858	6.6
203.10762	16.9
247.09737	13.8
267.28784	4.4
268.61823	4.0
315.57059	4.8
362.37891	4.7
421.14981	65.9
422.15128	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	420.2756
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
53.35337	0.8
59.01363	0.9
59.17888	1.0
61.98820	3.3
63.24499	0.9
64.11859	0.9
71.53953	1.5
116.92865	1.2
121.02959	100.0
122.03255	4.4
127.87010	2.7
138.36792	1.1
159.86008	3.4
214.02715	1.0
221.15182	1.2
236.10570	1.0
420.27542	70.6
421.27798	7.9
427.58249	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0774
Annotation	Isomangiferin
Peak:m/z	Relative Intensity
51.50800	0.8
53.33077	0.7
59.01106	0.7
59.01379	4.5
61.98818	3.1
62.32173	0.8
69.80624	2.9
79.51914	0.9
84.03880	0.8
84.68572	0.7
85.02927	0.9
93.03461	1.2
109.02949	3.8
137.02441	1.1
143.34595	0.9
147.43326	0.7
151.00345	0.9
160.93167	0.7
164.69012	0.9
190.99988	1.0
199.04123	0.9
200.04576	1.0
213.36386	0.8
215.03519	3.4
217.01271	0.9
227.03499	2.8
228.04358	1.0
230.02145	1.2
243.02901	4.8
244.03642	1.1
255.02965	1.7
258.01660	24.6
259.02423	35.2
260.02853	1.3
270.62457	0.9
271.02451	35.2
272.03229	34.5
273.03876	6.9
283.02505	1.9
285.04080	7.2
298.01208	4.1
299.01923	1.9
301.03519	100.0
302.03891	7.9
313.03619	5.1
315.05191	1.6
331.04550	64.2
332.04904	5.8
343.04547	1.3
373.05612	1.0
385.05469	1.1
403.06604	8.1
404.06927	2.0
421.07742	63.2
422.08026	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	420.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.6
59.01381	11.6
61.98833	100.0
65.58637	0.6
68.16270	0.5
68.99822	0.9
71.01388	3.4
71.33598	1.0
73.02968	0.7
73.57656	0.7
74.02457	0.7
80.40673	0.6
83.01392	0.8
85.02964	5.3
85.64420	0.6
89.02455	1.7
95.01405	4.1
96.96003	0.8
101.02473	1.6
108.02187	11.6
109.02959	42.1
110.03323	1.6
113.02448	1.1
123.00879	3.1
123.04628	0.6
128.03595	0.7
135.04547	1.0
143.04630	2.0
151.04045	2.6
161.04555	1.0
176.04033	1.3
191.05725	0.7
203.05667	2.9
223.35646	0.6
253.07391	0.7
280.24124	0.6
306.07791	1.7
313.09384	4.7
332.10675	0.8
405.38785	0.8
420.19989	0.8
421.17114	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	420.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59145	0.4
57.03450	1.3
59.01384	5.0
60.04971	0.4
61.98838	3.3
63.29073	0.5
70.96612	0.9
70.96954	0.6
71.01393	1.5
73.02951	0.9
75.52121	0.5
78.03479	0.9
81.03471	1.1
83.01382	0.5
85.02950	5.1
93.03471	1.0
95.01378	0.9
96.96013	1.9
96.96956	0.5
100.79881	0.4
101.02435	0.7
108.02180	100.0
109.02986	24.3
110.03296	0.6
111.00879	0.7
113.02433	0.7
115.92088	0.6
116.92873	4.0
121.02956	1.2
122.02486	7.8
123.00879	0.8
123.04503	1.1
129.01894	0.9
135.00873	0.6
135.04515	1.1
136.99185	0.5
137.02356	0.5
147.03017	0.9
151.04008	2.0
152.01157	57.6
153.01952	26.1
154.02351	0.9
163.04022	1.7
163.31631	0.5
165.01933	1.6
180.42831	0.4
186.05641	2.9
191.01955	2.1
205.03450	0.6
207.03030	0.8
214.05098	1.5
241.96019	0.5
265.03613	0.6
297.06213	1.3
335.20612	1.0
377.21872	0.9
420.09357	80.7
421.09586	9.0
421.16501	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	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71558	9.0
56.16412	9.0
58.40025	8.3
59.01382	17.5
61.98833	100.0
62.33916	10.9
64.99710	9.8
71.11886	18.4
111.21539	10.5
206.43224	9.6
322.89285	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	420.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.3
61.98832	100.0
66.21456	0.7
69.72781	1.7
69.73190	2.0
71.01392	2.9
84.84422	0.7
85.02961	4.0
87.35808	0.7
95.01394	2.9
96.38858	0.6
97.86599	0.7
98.19901	0.9
101.02444	1.6
108.02179	12.3
109.02957	51.8
110.03299	1.1
113.02470	1.5
118.51829	0.7
118.52686	0.7
123.00906	2.9
124.42164	0.7
136.61813	0.6
151.04039	1.9
163.30757	0.7
203.05632	3.6
253.07092	0.8
268.50195	0.7
313.09277	5.6
357.54681	0.6
421.17148	3.5
435.02148	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.0
57.03450	5.4
59.01382	44.8
61.98830	9.1
63.20089	1.2
69.03430	1.4
69.50163	8.1
71.01385	62.4
72.99316	3.6
73.02947	20.8
78.95962	1.3
83.01382	11.0
84.81118	1.1
85.02955	31.9
87.00889	4.4
88.98826	4.1
89.02449	14.9
95.01402	5.8
96.96021	3.6
97.03007	2.9
99.00883	7.8
101.02445	57.1
107.05058	1.2
109.02966	4.1
109.06622	1.5
113.02456	25.8
119.03484	6.0
123.04543	2.1
125.02464	1.7
125.06129	3.5
129.01944	2.1
137.06119	2.2
139.07713	2.0
143.03520	2.7
155.10803	11.2
159.02986	5.5
159.32852	1.2
161.04578	19.0
169.05112	5.4
177.09247	4.2
179.05672	1.2
179.07127	1.7
197.08331	1.2
213.14963	15.6
221.08453	1.3
251.60223	1.1
260.27414	1.2
349.50339	1.4
375.20248	1.9
419.19446	100.0
420.19791	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	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75545	0.7
55.01872	0.8
57.03440	1.5
58.00581	1.6
59.01381	41.3
60.76644	0.6
69.57574	4.3
71.01384	21.9
72.99307	1.7
73.02948	3.0
75.84080	0.5
81.90106	0.6
83.01385	2.4
85.02954	6.8
86.96632	0.6
87.00856	0.9
89.02445	18.2
95.01385	2.3
96.96008	1.6
96.96973	1.3
99.00925	0.9
101.02443	16.5
108.02164	2.0
113.02452	8.9
115.35776	0.6
116.35321	0.6
119.03524	5.6
122.10437	0.6
151.11255	1.3
152.01161	1.8
161.04549	1.2
164.11017	0.6
177.12846	20.5
221.11852	2.0
239.12947	0.9
251.04356	0.6
278.83261	0.6
299.06577	0.9
333.18976	0.7
383.17322	0.7
401.18173	15.7
402.18173	1.2
419.19226	100.0
420.09579	1.4
420.19534	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	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.0
57.03451	1.9
58.00574	3.0
59.01381	90.3
60.01718	0.8
69.64264	5.1
71.01379	27.9
72.99301	1.3
73.02942	3.3
78.06247	0.7
83.01396	2.4
85.02945	7.6
85.09386	0.9
86.02467	1.2
89.02444	20.5
94.22350	0.8
95.01393	2.6
98.19929	1.8
99.00858	1.3
101.02442	20.6
109.02966	1.0
113.02454	10.0
119.03504	9.5
128.03551	3.4
135.05714	1.0
143.04584	4.4
144.22177	1.0
151.11317	1.3
161.04602	6.5
161.05830	1.1
177.12846	20.5
177.14299	1.7
178.13187	1.4
179.05707	1.5
210.08920	1.4
221.11816	1.8
254.07759	1.5
272.08868	3.5
304.81021	0.9
306.07706	1.3
333.19391	1.1
359.17065	11.8
360.17413	1.2
401.12970	2.1
401.18146	15.2
402.18631	1.3
419.14236	4.2
419.19232	100.0
420.14148	1.5
420.19507	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	419.1348
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01877	0.6
55.19227	0.4
59.01379	8.4
61.98834	1.3
64.29169	0.4
64.52359	0.4
65.03967	0.4
69.34744	3.5
71.01376	5.6
73.02946	1.3
83.01385	1.2
83.05027	0.5
85.02955	2.5
89.02451	2.1
93.03456	4.5
95.01354	0.6
97.70365	0.4
101.02433	3.1
106.04251	9.3
107.05032	23.4
108.02182	3.2
108.05342	0.6
109.02946	0.7
113.02448	2.2
114.46050	0.4
119.03547	0.6
119.05011	1.4
121.02953	3.6
129.10335	0.5
138.03250	0.7
139.79527	0.4
150.03185	0.9
164.07185	0.9
182.02235	0.9
186.12471	0.6
191.05640	1.3
211.07625	8.6
212.08012	0.8
213.09203	69.0
214.09532	4.5
214.27705	0.4
230.25838	0.4
257.08182	8.3
258.08511	0.8
316.71390	0.4
352.85492	0.5
376.18802	1.4
419.13452	100.0
420.13754	12.4
420.22235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
57.03450	0.5
57.21155	0.5
59.01380	34.5
60.01729	0.7
61.98838	2.5
69.03448	1.1
71.01389	1.2
71.05013	0.7
71.55363	0.6
73.02943	0.8
74.99091	1.7
75.00872	1.2
79.72335	0.4
81.57770	0.5
85.02925	1.2
89.02429	0.7
93.03439	0.5
101.02464	1.3
101.83902	0.5
103.00371	2.6
108.02188	0.5
109.02972	1.5
113.09728	3.3
115.07653	1.3
117.01962	0.7
125.09737	1.3
129.01945	7.2
130.08739	0.6
136.99127	2.3
147.02995	7.7
167.10783	0.6
171.10172	0.6
184.41368	0.5
185.11821	100.0
186.12151	5.4
189.04126	1.6
213.05550	3.4
304.19104	0.6
315.14575	0.8
333.15491	11.5
333.19342	0.8
334.15802	0.9
346.23575	0.5
375.16458	5.1
375.20459	0.8
388.58246	0.6
419.09686	1.0
419.15262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48853	3.1
59.01376	74.8
61.98829	100.0
71.01376	26.3
71.53772	6.4
72.64450	2.8
72.99304	4.6
73.02940	8.6
75.00872	4.7
85.02940	27.7
88.98811	19.7
89.02437	20.4
95.01396	6.5
95.05048	3.7
96.96001	11.9
96.96967	8.5
101.02441	25.5
107.05052	3.6
108.02158	21.1
109.02956	48.1
111.00913	5.0
113.02441	10.2
117.52813	3.2
119.03497	12.0
120.01254	5.5
120.99617	4.2
123.04549	7.5
125.02448	5.9
125.06056	9.1
134.20650	3.1
135.04506	5.0
137.02438	3.6
137.06071	9.0
143.04619	4.6
161.04558	8.9
165.01866	3.6
167.03462	7.7
167.55116	3.3
169.01239	3.1
169.05089	10.3
177.09184	6.0
179.03452	3.6
184.07228	3.3
191.05646	7.7
197.08093	5.8
203.05684	3.3
207.02911	3.4
209.04478	6.8
221.10341	7.1
239.09171	3.9
251.04646	5.2
253.07236	17.9
279.04901	4.6
297.06140	3.7
299.06702	7.9
306.07568	7.5
313.09189	4.8
383.15509	30.7
419.14001	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	419.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99587	18.0
59.01381	100.0
60.01709	3.8
61.07964	3.6
61.98830	28.4
69.19668	36.5
69.56562	3.6
71.01387	9.9
73.02940	8.3
77.44978	3.2
83.05016	3.9
85.02950	14.0
87.00893	4.9
89.02431	6.5
97.02962	8.5
101.02447	8.9
101.06133	3.5
102.98605	63.0
110.01944	16.5
113.02531	4.1
120.99655	6.6
135.08188	4.1
137.09747	47.4
142.81801	3.6
149.09711	10.5
155.10771	3.9
167.10771	36.6
172.05698	5.6
183.08493	65.1
184.08858	3.9
184.32387	3.3
185.11809	24.6
191.05556	5.9
195.26230	4.6
209.84290	3.7
211.09778	13.2
227.07481	39.4
244.56987	3.6
245.08525	86.2
245.58586	3.8
246.08893	7.9
257.10049	4.4
271.10156	5.4
287.15143	4.6
315.09082	53.0
333.10126	72.3
334.10406	4.3
356.20868	3.8
375.11172	66.4
376.11536	6.7
419.18884	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	419.0986
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
57.03460	0.5
59.01377	4.1
61.57180	0.3
61.98821	2.0
66.24495	0.4
69.55332	2.2
71.01373	1.4
71.21765	0.3
73.46413	0.3
81.03460	0.9
85.02950	1.7
85.66062	0.4
85.99255	0.3
89.02428	0.6
93.03468	0.8
95.01391	0.8
101.02460	0.9
108.02179	100.0
109.03003	13.7
110.03315	0.4
113.02462	0.4
119.04988	0.3
121.02961	4.8
123.00887	0.5
123.04528	0.9
125.02452	0.5
130.08737	0.8
131.04987	0.5
133.02986	0.9
135.00909	0.7
135.04489	0.7
137.02463	0.8
139.11412	0.5
142.13586	0.4
145.02966	0.6
149.06097	0.4
151.04018	2.1
152.01157	56.3
153.01955	17.5
154.02240	0.7
163.04010	2.1
165.01962	1.0
175.03989	1.9
180.04288	0.7
185.06067	0.6
189.05565	0.6
190.06369	1.9
191.07164	1.0
193.05000	0.6
201.11276	0.9
205.08670	0.8
207.06656	0.6
208.07352	0.7
217.55553	0.4
239.12108	0.3
240.10318	0.4
284.64395	0.4
309.53049	0.5
333.23074	0.5
389.16037	5.1
390.16370	0.7
419.09842	61.6
420.10306	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	419.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01379	6.5
60.99307	13.4
61.98832	21.8
69.03431	0.3
71.01379	1.8
71.54520	0.6
73.02942	1.1
75.00885	0.4
79.90346	0.4
81.03449	0.3
83.01395	0.4
83.05020	0.5
85.02959	2.9
87.00882	0.5
88.98807	100.0
89.02449	1.4
89.99158	0.8
95.90919	0.3
96.96024	2.1
101.02451	0.7
104.91798	0.4
108.02176	2.6
109.02951	1.1
111.00909	0.6
113.02470	0.5
122.02480	0.5
123.04523	0.9
125.02417	0.6
129.01906	0.5
130.08751	0.6
145.16685	0.4
149.99457	0.5
152.01164	1.4
153.01996	0.5
159.18626	0.4
167.03517	2.8
169.13414	0.4
191.01936	0.4
193.96674	0.4
195.05159	0.5
197.08177	0.6
294.23010	0.4
297.06033	0.5
315.18158	0.5
333.19247	0.7
375.20383	0.6
381.17429	0.5
419.10718	1.4
419.19397	2.1
420.09515	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41157	1.3
57.03448	1.7
58.98688	1.3
59.01382	88.1
60.99307	8.4
61.98839	10.4
71.01386	3.5
73.02932	2.0
81.03467	4.7
83.01377	3.4
85.02950	5.9
88.98807	42.6
89.02427	1.8
95.05006	4.3
97.02937	1.7
98.20681	3.5
99.04513	2.0
101.02461	2.6
107.79014	1.4
108.02219	1.4
112.99335	1.6
113.02441	2.9
121.02928	1.8
123.04539	12.9
125.02464	11.3
135.04503	2.0
137.02443	2.8
137.06099	10.1
139.04068	2.2
149.96878	1.5
153.01886	1.7
165.05565	2.6
167.03484	38.8
168.03830	1.9
179.03484	6.4
181.05110	2.6
182.05794	2.3
191.05623	3.3
192.05957	2.9
193.34708	1.7
194.06349	3.6
197.08179	9.3
209.04556	100.0
210.04900	3.9
221.04593	3.6
239.05643	21.1
296.68851	1.9
311.07773	3.6
329.08798	34.5
330.09180	2.2
396.83194	1.6
419.10413	1.8
419.15042	3.6
419.20026	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	418.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23769	0.5
55.60116	0.4
57.03445	4.3
58.48841	0.4
59.01366	0.7
61.98836	3.0
70.09946	1.6
71.01376	0.8
72.00853	0.6
73.91588	0.4
81.03463	1.8
83.01392	9.7
84.01720	0.5
89.98682	0.5
101.02458	0.8
101.33448	0.4
114.01967	0.8
125.02450	100.0
126.02773	2.7
128.49655	0.4
130.08742	55.5
131.04625	1.8
131.09091	1.7
139.03986	0.9
149.02440	5.2
156.87164	0.5
161.04593	1.8
163.03947	0.5
167.03511	0.6
180.06691	1.5
221.01041	0.6
287.07727	5.7
401.07172	0.6
419.08487	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	418.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34115	1.2
59.01384	26.9
60.01696	3.0
61.98830	100.0
69.62558	2.7
69.62971	5.4
71.01403	2.3
71.25904	1.2
73.01817	1.3
73.02945	1.9
85.02940	2.2
89.02438	4.5
92.70286	1.2
94.62717	1.2
96.79468	1.2
101.02458	1.6
113.02472	1.4
131.03543	2.1
135.11794	5.2
145.96504	1.4
149.04555	31.3
179.03494	1.6
179.10770	35.0
179.12253	2.7
191.05583	3.0
199.82159	1.4
223.09755	5.8
246.90053	1.3
355.13925	9.2
441.30383	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37891	0.4
57.03449	0.7
59.01379	43.3
60.01704	1.2
61.01805	0.7
61.98830	100.0
69.95041	2.1
70.66860	0.4
71.01382	6.3
72.01742	0.9
72.99333	0.4
73.01814	0.5
73.02954	2.5
83.01389	0.5
85.02956	3.1
86.03284	0.7
89.02458	3.0
91.02873	0.6
94.17216	0.5
95.48375	0.4
97.06583	0.4
99.00896	1.5
101.02451	4.2
113.02465	2.1
121.02979	0.6
124.15336	0.5
129.01984	1.0
139.07631	0.6
145.63519	0.4
149.04622	0.8
150.04895	0.6
151.05026	0.9
159.03069	0.6
161.04590	2.9
162.04906	1.0
179.07042	0.4
186.88449	0.4
191.05699	1.3
201.53154	0.4
250.73453	0.4
265.06339	0.5
266.06937	0.9
269.10315	3.7
277.60486	0.4
281.09314	2.1
358.16019	1.6
375.20316	1.0
418.17773	0.6
419.11304	1.8
419.19250	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51004	0.8
56.92720	0.8
57.03448	1.3
58.20660	0.9
58.82980	0.8
59.01381	24.6
60.01711	1.0
61.98834	100.0
70.66728	1.5
70.67042	1.0
71.01390	4.5
72.99313	1.1
73.02950	3.0
74.99103	0.8
75.00867	1.1
81.16767	0.7
83.01373	1.0
85.02959	7.0
87.00884	1.2
89.02448	1.4
99.04569	1.0
101.02421	2.8
101.67963	0.8
107.05038	95.3
108.05363	3.8
109.02872	0.8
111.00892	2.1
113.02483	0.9
125.02435	0.9
129.01968	1.8
135.04498	0.9
139.07607	0.9
147.02946	1.2
155.10760	0.9
155.77245	0.9
157.70145	0.8
159.03009	0.9
161.04546	0.8
167.03534	1.8
173.14107	0.8
183.10240	0.9
185.11842	3.1
191.01941	1.1
191.05620	4.3
203.05714	1.0
287.14935	1.1
311.11380	2.7
333.69763	0.8
418.17258	1.1
419.13815	1.4
419.19080	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01725	1.2
71.01385	3.1
71.55277	0.4
71.84299	0.3
73.02950	0.9
75.11182	0.3
83.01374	0.5
85.02948	2.2
89.02470	1.4
99.00916	0.5
101.02435	2.1
102.61052	0.3
113.02466	1.2
119.03482	0.3
137.02440	0.6
159.03047	0.4
161.04559	0.5
179.03563	0.5
191.05597	0.7
216.69930	0.4
237.14932	1.1
240.04622	0.4
375.23920	1.6
401.74802	0.4
417.16223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22256	0.7
56.50911	0.6
59.01381	100.0
60.01736	0.7
69.44234	4.9
70.73014	0.7
97.34523	0.8
101.53579	0.8
150.70277	0.8
179.96675	0.7
260.31210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.9
57.03442	5.1
58.00587	3.5
59.01379	68.7
60.01701	0.8
61.98827	1.4
68.99830	0.5
69.03462	1.1
69.24078	3.0
69.24477	0.9
71.01379	100.0
72.01724	1.6
72.99306	5.4
73.02943	22.2
75.00882	1.4
75.20446	0.4
81.03450	0.8
83.01382	10.8
85.02946	39.3
86.03290	0.8
87.00877	5.4
87.04517	2.5
89.02441	55.3
90.02768	0.7
93.03469	0.5
95.01382	7.0
97.02967	2.1
99.00875	9.9
101.02438	75.7
101.06073	0.6
102.02780	1.3
109.02978	0.8
111.00891	1.5
111.94685	0.4
112.01651	0.7
113.02446	42.4
114.02778	1.0
119.03496	23.6
121.02960	0.9
124.44192	0.4
125.02422	3.8
129.01967	1.4
131.03496	2.8
133.27129	0.4
137.02451	8.6
143.03499	7.5
149.04504	2.2
150.03262	0.6
159.02991	6.8
161.04549	45.0
162.04901	2.1
165.01938	1.9
179.05608	10.4
191.05577	0.7
205.03545	1.2
237.83112	0.4
255.19647	2.8
276.48865	0.4
288.06403	0.5
298.43216	0.4
375.19522	0.6
385.12866	1.9
412.94873	0.5
417.24954	42.8
418.25452	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	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18250	1.2
59.01382	100.0
60.01699	1.8
61.74482	1.1
70.09824	2.4
70.10204	3.9
71.01384	14.7
72.73325	1.2
73.02953	11.0
75.00876	1.7
83.01375	3.3
85.02939	7.1
89.02428	6.2
95.01424	1.2
96.28265	1.2
101.02439	12.8
107.05006	1.2
113.02457	6.0
119.03561	2.0
123.00909	1.4
129.01935	1.2
130.89743	1.1
135.04567	1.4
137.02451	1.9
142.08376	1.3
147.02988	1.7
151.00343	3.8
161.04547	1.9
165.04044	3.8
166.02739	10.0
167.04533	1.8
181.05096	14.1
191.01932	2.4
387.10831	2.9
417.15958	6.0
428.94519	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.9
59.01382	100.0
60.01735	1.2
61.98827	3.1
66.67513	0.8
71.01378	5.0
71.54654	1.2
72.99313	26.1
72.99697	1.9
75.00877	44.7
83.01395	1.6
85.02969	8.3
87.00912	2.0
87.30939	0.9
88.98804	3.8
90.53645	0.9
95.01406	1.6
99.00890	1.5
101.02338	1.0
102.16350	0.9
109.02940	1.3
113.02439	2.5
115.00359	2.4
116.98312	4.8
121.02988	1.2
133.01376	1.3
134.03731	1.1
174.98788	1.7
191.05658	1.1
248.53383	1.1
335.18585	1.8
337.18399	37.5
337.68582	17.5
338.18607	1.3
366.18622	4.1
366.68701	2.4
388.30222	1.1
391.26578	1.3
395.18997	9.2
395.69110	2.8
417.11362	4.0
417.18512	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
57.02155	0.7
57.03433	1.3
58.00593	0.9
59.01377	100.0
60.01704	1.3
61.98836	1.2
64.43982	0.7
69.03449	0.8
69.18876	4.9
69.19283	1.1
71.01379	44.1
72.99313	2.1
73.02943	63.9
74.03298	0.9
75.00880	1.1
81.03465	1.2
83.01382	17.9
85.02952	8.6
86.00097	1.7
87.00883	5.4
89.02444	8.2
95.01417	2.0
97.02986	0.8
97.06590	0.6
99.00901	2.3
101.02440	48.8
101.06104	0.8
102.02812	1.0
107.75061	0.6
111.04562	1.0
113.02452	10.3
116.48861	0.6
117.97279	0.9
119.03522	2.0
119.88304	0.6
121.02938	0.7
125.02464	2.3
126.03255	1.3
127.04073	1.0
127.07682	0.8
129.01945	1.2
131.03508	2.9
134.03752	0.8
137.02443	0.8
138.03250	1.0
139.11281	3.5
140.08469	0.7
143.03531	2.6
149.04601	2.9
151.11313	3.0
152.04770	1.0
155.03517	0.8
161.04568	9.0
167.04538	0.8
167.10776	4.1
169.12321	6.5
177.09201	4.9
179.10776	6.0
191.05681	1.8
195.10248	38.1
196.10745	1.9
203.05675	0.8
224.13641	0.8
241.14555	1.8
283.07538	0.6
331.17587	5.1
399.16681	1.3
417.09296	0.8
417.17532	8.5
417.22467	9.6
418.17795	1.1
418.22595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
55.96471	0.5
57.03434	1.1
58.00597	1.3
59.01379	100.0
60.01712	1.1
61.98824	1.7
71.01379	29.1
72.99318	1.4
73.02944	4.3
83.01392	1.5
85.02946	7.9
87.00909	1.1
89.02444	25.0
95.01399	1.7
95.92618	0.6
97.02988	0.7
98.20692	1.3
99.00891	2.3
101.02444	16.4
101.31664	0.6
113.02453	11.5
113.03247	0.6
119.03490	10.1
119.04196	0.8
125.02471	0.8
131.03542	1.0
143.03470	2.9
149.04604	2.0
159.03014	1.4
161.04547	21.6
162.04932	0.9
177.09190	4.5
178.09775	0.6
179.05605	6.5
185.19867	0.7
191.05672	1.9
192.36580	0.7
195.10243	1.2
223.13501	0.9
265.06924	0.6
273.26022	0.6
281.64059	0.7
357.15530	29.5
358.15829	2.9
361.20346	0.6
417.17804	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.3
59.01376	100.0
61.98829	84.1
69.35612	7.7
69.36040	8.7
71.01372	10.6
73.02928	4.9
75.00849	2.6
81.03478	1.9
83.01371	3.1
85.02942	7.2
87.00875	2.5
87.04526	2.8
89.02431	5.3
99.04560	2.3
99.63596	2.0
101.02431	10.2
107.05029	91.7
111.00890	3.7
113.02450	5.3
119.03449	3.6
125.02429	4.6
126.02795	2.4
135.79643	2.0
151.00323	3.4
152.00699	2.2
153.00809	2.8
161.04585	4.7
165.04083	2.0
167.04523	2.2
173.04581	3.2
191.05551	6.3
208.80328	1.9
227.12875	4.8
241.14413	4.7
267.06543	2.3
285.13409	21.5
285.17010	8.6
287.14917	5.7
294.02698	1.9
331.17566	2.3
373.18463	2.6
417.12674	10.2
417.17346	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77640	1.0
55.01867	2.9
57.03438	2.6
59.01377	100.0
61.98828	15.1
68.56075	1.0
69.03448	1.7
69.86983	2.3
69.87399	3.9
71.01379	61.4
73.02946	18.7
75.00883	2.0
76.22659	1.0
78.37206	1.1
83.01382	6.5
83.78403	0.9
85.02946	29.3
87.00900	1.8
89.02445	7.0
95.01395	3.5
96.96018	1.2
97.02930	2.5
99.00872	10.0
101.02441	32.4
108.02122	1.1
111.00887	1.7
111.08126	3.6
113.01709	2.0
113.02453	24.5
119.03493	1.2
121.02948	10.8
122.02452	1.3
125.02438	2.6
129.01917	3.4
135.04515	3.3
139.07646	35.7
143.03487	4.6
151.06041	1.0
159.02982	7.5
161.04546	80.0
162.04875	3.3
191.05621	2.6
195.06583	1.4
195.10268	9.0
195.19031	1.1
205.03493	1.3
228.26685	1.1
251.05524	1.2
295.10236	1.2
357.15518	29.5
358.15979	4.1
417.17542	4.3
424.11826	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33099	1.6
57.03438	3.2
58.00563	1.8
59.01376	100.0
60.01702	2.1
61.98824	15.9
62.86869	1.9
63.44335	1.8
69.46497	11.5
69.46895	3.4
71.01382	29.4
72.99317	2.1
73.02935	8.2
83.01380	3.7
85.02944	17.8
85.29700	1.8
87.04535	2.2
89.02440	27.5
93.03443	2.3
94.45451	1.7
95.01369	2.5
96.17844	2.0
97.06573	2.8
99.00857	3.6
99.04520	3.6
101.02441	16.5
104.28905	1.9
109.02953	2.4
113.02464	13.9
114.02757	1.9
116.92887	2.6
119.03493	11.2
125.02448	3.9
129.01939	1.9
131.03517	3.2
143.03490	3.2
149.04532	7.3
151.00375	2.8
153.01749	2.3
161.04527	19.5
169.01385	3.3
169.38344	2.0
173.04607	2.9
177.09181	6.2
179.05591	6.0
185.53888	2.0
191.05568	10.2
195.10262	2.9
241.14639	2.5
249.13211	3.2
313.16550	5.0
331.17636	8.0
357.15488	29.3
358.16226	2.1
373.18579	7.9
381.17508	12.1
417.15472	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	417.1404
Annotation	Itoside I
Peak:m/z	Relative Intensity
55.01877	2.2
56.73173	1.0
57.03447	1.9
58.00603	4.8
59.01381	100.0
59.72714	0.8
60.01689	1.5
61.98827	5.1
62.66604	0.9
69.03456	9.1
70.33681	0.9
70.61323	1.0
71.01385	56.5
71.30064	1.3
71.30401	1.6
72.01708	1.1
72.99317	5.3
73.02946	23.8
75.00899	1.1
79.01864	1.4
81.03462	6.6
83.01393	9.2
85.02454	2.0
85.02956	28.2
85.24041	0.9
86.03287	1.4
87.00880	4.2
89.02448	32.3
91.94151	0.9
93.03463	1.5
95.01386	4.7
96.96045	1.0
97.02952	12.9
99.00861	3.4
101.02446	41.0
103.04018	35.2
107.01427	0.9
108.02181	11.8
109.02958	21.5
110.03269	1.2
111.04508	1.2
113.02487	5.1
114.73737	1.0
115.04034	1.9
119.03518	15.2
123.00858	2.4
123.04475	1.7
125.02455	40.5
126.02749	1.6
127.04018	3.8
131.03464	1.3
135.04507	1.3
136.04947	1.1
137.02440	1.4
137.06120	1.4
139.04021	2.0
143.03516	4.6
145.05067	5.8
149.06041	2.2
161.04544	1.7
163.06120	27.9
164.06473	1.0
167.03452	1.8
168.00577	1.1
173.04539	1.2
174.04845	1.3
180.03786	1.1
191.05600	16.5
192.05983	10.0
193.04996	1.1
193.08888	0.9
195.03029	1.2
195.06615	1.2
205.07149	2.8
209.04488	1.4
237.04068	2.5
247.08212	10.3
249.04036	1.8
251.05695	1.5
279.05127	2.9
297.05939	3.0
307.10324	16.5
307.66742	1.0
308.10510	1.5
309.06241	2.0
326.13910	1.1
354.09094	4.1
394.26822	1.0
417.09842	4.4
417.13995	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	417.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	6.4
57.03452	7.6
58.64992	1.3
59.01384	100.0
61.98842	7.6
69.03466	10.9
69.90958	1.2
71.01391	4.9
71.05014	2.3
71.25129	1.1
71.54620	1.3
73.02964	2.3
73.99207	1.4
75.00870	1.7
85.02946	5.1
89.02480	2.0
96.96027	1.6
98.95596	2.1
101.02469	3.5
103.00373	7.3
104.59758	1.5
107.05039	1.9
111.08155	2.3
113.02412	1.8
114.32482	1.3
129.01947	16.6
139.11285	16.4
147.02977	9.3
161.04578	1.7
183.10262	94.4
184.10587	5.4
184.62045	1.4
189.04045	4.9
236.29951	1.3
237.76295	1.4
298.64798	1.5
313.13022	2.1
331.09518	2.9
331.13937	22.6
331.17682	4.1
372.03461	1.4
373.14304	5.0
417.17029	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	417.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
58.00583	2.7
59.01377	60.8
61.98816	2.6
71.01380	42.5
71.54384	1.5
72.99303	3.4
73.02944	15.3
85.02950	6.6
87.00876	1.4
87.14249	0.7
89.02443	100.0
90.02759	1.6
97.02932	1.2
99.00879	26.3
101.02441	36.8
108.02167	1.8
109.02941	1.4
113.02452	6.9
119.03493	3.3
123.04572	0.9
125.02440	4.7
131.03493	14.1
137.02448	1.1
143.03497	2.9
149.04550	74.8
150.04898	2.0
161.04553	5.0
167.03476	1.5
191.05602	17.0
192.06015	2.4
216.55132	0.7
221.06673	9.1
251.07614	4.2
253.07121	1.0
275.07742	1.0
293.08710	3.6
311.09863	5.3
327.10043	0.8
417.13919	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1039
Annotation	Citrifolinin B epimer b
Peak:m/z	Relative Intensity
57.03427	3.2
59.01384	10.9
61.98808	9.7
69.03431	3.1
71.01374	9.7
71.52111	2.9
73.02905	2.1
75.00865	6.7
81.03453	9.2
83.01385	20.6
85.02949	7.8
89.02448	6.2
93.03455	4.4
95.01392	2.6
95.05020	5.9
97.02929	5.0
99.00850	7.1
99.04527	4.0
101.02464	5.8
107.05020	4.3
109.02936	8.3
111.00889	12.1
111.04523	2.4
113.02444	3.1
118.05005	2.1
119.05080	3.3
121.02973	5.9
121.06606	3.8
122.03729	2.9
123.04528	19.2
125.02474	16.9
135.04488	7.7
137.02405	6.8
137.06100	14.7
139.04042	11.8
149.02379	3.3
149.06094	6.3
151.00352	9.3
151.04018	15.2
153.01909	5.9
161.06056	3.1
163.04015	6.9
165.01912	9.0
165.05525	9.3
167.03532	34.3
169.01494	2.3
174.02945	2.5
175.03949	3.5
177.01863	4.0
177.05528	10.2
179.03514	10.7
180.04230	3.0
181.05072	5.1
189.05585	3.8
191.03433	3.9
193.05054	12.9
195.02948	10.8
197.04501	3.0
205.04977	7.8
206.02206	4.2
207.02933	9.9
207.06679	2.5
209.04544	56.4
210.04881	2.6
219.02986	6.2
221.04559	33.0
225.04062	3.3
233.04497	7.0
235.02507	4.4
235.06114	3.7
237.04082	24.9
239.05540	5.1
249.04048	57.3
250.04541	2.5
251.05629	28.1
261.04037	6.0
263.05487	3.8
267.05075	34.1
279.05112	69.6
280.05533	5.9
281.06686	10.5
282.87177	2.2
291.05060	3.2
297.06140	71.6
298.06433	4.0
309.06149	27.8
327.07285	12.0
329.08569	3.5
341.10950	3.3
369.08209	10.0
373.07535	2.8
381.08289	2.2
383.52875	2.5
387.09247	10.0
399.09457	25.1
417.10312	100.0
418.10422	11.0
437.21115	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	417.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53371	1.8
56.93000	1.6
59.01371	6.6
61.98827	9.2
62.68020	1.7
65.44576	1.8
68.99814	2.4
69.98786	6.2
71.01395	4.7
71.28236	2.0
81.03453	7.1
83.01392	20.3
85.02957	5.9
87.00863	1.6
93.03478	2.5
95.01430	2.0
95.05009	6.2
97.02980	3.6
99.00921	2.7
107.05018	5.5
109.02927	6.3
111.00871	10.7
111.04517	2.5
111.18446	1.8
113.02431	5.2
116.72575	2.1
119.05016	2.5
120.01254	7.8
121.02948	2.8
123.04533	16.7
125.02461	7.3
135.04544	9.0
137.02458	4.7
137.06067	8.3
137.21066	1.8
139.04037	10.7
147.04575	3.3
149.02417	2.5
149.06084	7.8
151.04036	10.2
153.01897	2.6
153.05580	2.5
154.24797	2.1
161.06073	2.6
163.03996	6.2
164.04874	3.0
165.01920	5.9
165.05527	6.0
167.03502	27.4
175.04051	2.9
177.01990	1.9
177.05559	7.4
179.03485	12.4
181.05086	5.6
189.05522	2.9
191.03555	5.5
191.05614	6.6
191.07152	2.1
192.05907	4.1
193.05008	17.2
193.06325	1.7
194.05450	2.5
195.03018	9.8
197.04478	2.5
205.01385	2.1
205.05025	5.8
206.02112	4.9
207.02924	13.1
207.06673	2.0
209.04536	38.0
210.04924	2.5
217.05138	5.1
219.02977	7.7
220.03827	3.3
221.04539	34.4
225.03999	4.8
233.04636	8.6
235.02509	2.4
235.06125	3.7
237.04044	24.6
238.04401	2.2
239.05672	6.0
249.04034	67.0
250.04453	4.5
251.05644	29.3
252.06090	2.1
261.04071	7.1
263.05460	3.1
267.05099	35.9
279.05096	85.2
280.05493	6.1
281.06717	11.3
291.05249	5.3
297.06149	100.0
298.06406	6.8
309.06149	34.2
327.07242	19.1
350.60986	1.8
351.07254	2.4
369.08228	6.9
381.08286	3.6
387.09512	11.0
399.09341	22.5
417.10376	94.0
418.10690	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09290	1.3
57.03444	1.2
59.01383	17.7
66.92168	0.8
67.01861	0.9
68.15354	0.8
68.99824	1.2
69.19853	3.6
69.20272	5.2
71.01379	3.1
73.02938	2.3
81.03453	5.0
82.65949	0.8
83.01384	12.9
84.01695	0.9
85.02958	2.9
89.56294	0.9
93.03477	1.7
95.01398	2.0
95.05022	3.2
97.02962	3.8
98.20660	2.3
99.00889	3.5
101.02451	1.2
107.01447	0.9
107.05049	2.7
108.02177	1.0
109.02938	3.2
111.00875	8.4
111.04512	1.4
113.02451	2.4
121.02962	4.1
121.06609	1.1
123.04518	10.6
125.02470	5.8
129.01926	1.5
135.04555	5.3
137.02423	4.2
137.06119	4.7
138.03183	1.0
139.04039	6.6
147.04535	2.2
149.02492	1.0
149.06100	3.1
151.04004	7.4
153.02008	1.6
153.05519	0.9
159.04489	1.2
161.04633	0.9
161.06010	1.7
163.04007	3.4
164.04774	2.5
165.01930	3.6
165.05568	2.4
167.03491	17.1
173.06137	1.0
175.03976	2.0
177.01939	1.6
177.05563	6.4
179.03496	8.0
180.07898	1.2
181.05066	3.9
189.05540	2.7
191.03500	5.6
192.04178	1.3
193.05045	10.9
195.02971	6.5
195.10301	1.7
197.04593	3.4
205.01512	1.7
205.05075	3.6
206.02200	4.9
207.02963	9.3
207.06642	1.8
209.04555	17.7
217.05042	2.0
219.03000	4.1
220.03687	2.2
221.04585	22.6
222.04823	1.3
223.06052	1.7
225.04016	3.4
233.04558	5.5
235.02460	2.5
235.06071	2.9
237.04057	15.2
238.04419	1.1
239.05704	4.6
244.25089	0.9
248.03210	1.8
249.04048	52.8
250.04449	2.5
251.05626	20.3
252.06047	1.2
261.03946	4.9
263.05490	2.4
265.07178	1.1
267.05099	23.0
279.05106	56.3
280.05457	3.9
281.06693	6.2
289.89319	1.0
291.05145	2.8
297.06158	68.6
298.06488	3.7
309.06177	18.2
310.06705	1.3
321.06055	1.6
327.07162	10.3
357.08575	1.4
369.08258	4.3
381.08218	1.5
387.09241	6.4
399.09335	10.3
400.09641	1.5
417.10385	100.0
418.10745	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.2
61.98832	4.6
69.68047	5.5
71.01385	2.1
71.34186	1.1
73.02935	1.6
79.01868	1.3
81.03458	2.8
83.01385	5.9
85.02976	2.3
87.76862	0.9
89.02458	0.9
89.09913	0.8
93.03471	1.4
95.01391	1.9
95.05044	2.6
97.02943	1.6
98.19823	1.0
99.00886	2.4
103.04016	1.1
107.05024	1.0
108.02190	1.2
109.02959	2.0
109.06577	1.0
111.00875	3.7
111.04541	1.1
113.02524	1.6
119.05067	1.1
121.02940	2.1
123.00880	3.1
123.04520	6.9
124.01678	11.8
125.02460	25.0
129.01915	0.9
135.04530	3.0
137.02461	3.7
137.06052	3.2
138.34120	1.0
139.04057	3.2
147.04520	1.5
149.06073	2.2
149.32190	1.1
149.99571	11.1
151.00284	1.4
151.03989	5.4
153.01909	1.0
161.06070	1.0
163.04030	2.3
164.04752	1.3
165.01949	2.5
165.05559	2.0
167.03488	11.5
168.00656	28.2
168.03761	1.5
169.01367	1.9
175.04002	1.0
177.05595	3.7
179.03494	4.0
180.04309	0.8
181.05080	2.8
191.03461	2.4
193.05040	6.9
195.03017	3.5
197.04497	1.7
205.01454	1.3
205.05118	2.7
206.02258	3.0
207.02998	5.5
209.04565	10.4
219.03012	2.7
220.03746	1.6
221.04553	10.7
233.04622	3.0
235.02576	0.9
235.06076	2.0
237.04016	7.4
239.05605	2.6
247.05914	0.8
249.04054	25.6
250.04498	1.9
250.44452	0.8
251.05614	13.0
261.03918	3.1
263.05618	1.9
267.05124	12.2
279.05093	32.3
280.05542	1.4
281.06680	3.8
291.05167	1.7
297.06165	36.3
298.06500	1.5
309.06100	11.3
327.07193	5.4
369.08237	3.4
381.08310	1.0
387.09351	4.0
399.09171	8.6
400.09436	0.9
417.10379	100.0
418.10770	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	417.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90372	0.6
57.03442	1.4
58.99582	0.8
59.01377	8.1
61.98818	0.9
74.06063	0.7
83.01365	0.9
85.02951	2.9
93.03461	2.2
97.13199	0.6
99.10840	0.7
102.98575	1.2
107.01328	0.8
108.26936	0.6
125.02428	1.5
137.02434	1.5
147.24524	0.7
151.00351	1.1
159.04541	0.8
163.00394	0.7
164.01201	1.1
173.04549	0.7
175.03960	0.7
179.03436	1.7
181.05013	0.7
183.04521	1.1
191.05614	3.3
211.04062	0.8
223.13281	1.0
224.13698	0.7
227.03474	64.9
228.03870	5.4
229.05051	1.6
239.03421	1.5
241.14404	2.5
244.06645	0.7
255.02971	83.6
256.03574	12.2
257.04446	1.2
269.07141	1.0
283.15616	0.8
284.03250	82.0
285.03903	20.8
287.16867	1.0
327.04730	0.8
331.03882	1.1
375.18402	1.6
417.08240	100.0
417.20273	3.0
418.08603	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06902	1.9
59.01375	4.0
67.01863	2.2
71.01391	8.0
71.08589	4.5
71.08936	2.9
81.03453	8.9
83.01385	21.7
85.02950	6.2
86.07813	2.0
93.03474	2.3
95.01372	2.6
95.05028	6.3
97.02950	3.2
99.00883	3.8
107.01407	2.5
107.05011	6.0
109.02953	6.2
111.00882	9.1
119.05042	3.0
121.03009	2.3
121.06548	2.1
123.04527	18.3
125.02438	14.7
135.04529	10.9
137.02443	6.1
137.06097	7.1
139.03993	10.2
147.04556	3.5
149.02463	3.1
149.06085	5.6
151.00357	7.7
151.03979	13.1
153.01891	4.1
155.03415	2.5
163.04010	6.1
165.01930	6.2
165.05589	5.9
167.03502	28.7
177.01967	3.4
177.05589	12.2
179.03529	10.5
181.05067	5.1
191.03571	5.6
191.05612	3.9
192.05890	3.2
193.05025	13.3
195.02966	10.1
197.04498	2.6
205.05013	7.6
206.02196	7.3
207.02908	12.0
209.04544	37.7
210.04865	4.9
217.04965	4.1
219.03024	6.2
220.03531	2.5
221.04549	30.2
222.04985	2.9
223.06114	2.9
225.04137	3.3
233.04546	10.3
235.06239	4.1
237.04005	23.0
239.05600	8.0
249.04012	68.2
250.04465	6.6
251.05588	36.9
254.74681	2.0
261.04025	6.3
263.05716	4.1
267.05103	40.4
275.83893	2.3
279.05096	90.2
280.05487	6.4
281.06656	8.6
291.05231	4.3
297.06143	100.0
298.06604	6.3
309.06152	35.9
310.06448	2.7
327.07233	17.6
369.08435	10.6
373.07773	8.5
381.07983	3.3
382.08517	2.4
387.09283	10.4
399.09424	19.8
417.10370	90.8
418.10812	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	417.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11487	1.1
55.01872	3.1
57.03445	17.0
59.01380	25.9
61.98818	4.2
67.01923	1.3
67.68178	1.0
71.01379	20.5
71.55254	1.1
72.99306	7.1
73.02934	5.8
75.00871	3.0
77.36531	1.1
83.01386	10.0
84.02185	1.7
85.02948	100.0
86.03312	1.3
87.00890	2.8
89.02447	7.3
93.03427	1.5
95.01400	1.6
99.00887	1.4
101.02444	12.1
109.02958	1.7
111.00876	16.1
113.02466	5.6
119.03499	2.5
121.02949	59.8
122.03179	1.2
123.04523	1.2
125.02438	2.3
129.01941	54.8
131.04982	1.9
133.02991	1.9
133.06580	5.5
135.04536	5.5
155.10770	2.2
159.04431	1.5
161.02464	1.9
161.04570	4.6
161.06059	6.3
167.03484	3.5
173.00899	12.4
175.04144	1.3
179.03468	1.8
179.05548	1.6
181.05052	1.7
189.05577	11.9
191.05420	1.1
209.04550	2.9
213.14995	3.9
219.02901	2.0
225.29082	1.2
232.03989	1.6
237.05072	1.2
251.05618	20.9
252.05911	1.5
257.13907	3.4
267.04596	1.1
287.16644	1.4
295.04486	3.7
329.06525	2.2
343.08215	2.7
357.18988	3.5
373.20688	1.2
375.20200	7.7
417.11960	13.1
417.20554	15.0
418.12418	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	417.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	4.5
57.03454	13.3
58.00597	2.1
59.01385	68.2
60.01724	1.1
61.98834	5.0
68.99829	1.5
69.03477	1.0
69.23666	5.6
69.24086	1.9
71.01387	72.2
72.99313	6.1
73.02949	15.2
75.00874	2.1
83.01392	11.3
84.02171	1.5
85.02956	100.0
86.03310	2.2
87.00891	4.9
87.04539	1.1
88.98851	0.9
89.02451	33.9
93.03485	1.2
95.01399	5.9
99.00883	6.3
101.02451	46.6
107.66734	0.8
111.00890	9.8
113.02458	25.6
114.02735	0.9
119.03502	15.3
121.02965	37.3
122.56882	0.8
125.02475	2.1
129.01961	21.2
131.03531	2.4
131.05046	1.1
133.06610	5.0
135.04541	2.6
137.02451	2.7
139.00406	0.8
143.03513	5.2
149.04585	1.3
151.00397	1.9
159.03035	4.3
159.04346	0.9
161.04559	26.6
161.06053	5.7
166.02728	2.9
173.00926	6.5
179.05614	8.1
181.05078	2.3
189.05571	8.9
191.05640	1.5
192.05894	1.1
192.12614	0.8
193.05067	1.0
213.05728	0.9
213.15013	2.8
248.91577	0.9
251.05598	10.3
255.06653	2.6
255.19670	1.5
295.04681	3.5
357.19226	3.4
375.20200	7.3
387.10904	1.7
395.97256	1.0
417.15479	4.3
417.20822	6.5
417.25598	21.0
418.21140	1.6
418.25970	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05427	0.8
52.23154	0.9
55.01879	1.7
57.03448	12.4
59.01386	22.3
61.98827	5.0
66.30213	0.9
71.01385	9.8
71.54901	1.2
72.99303	5.5
73.02941	2.2
75.00874	2.3
83.01386	7.9
84.02164	1.6
85.02955	100.0
86.03300	1.6
87.00880	3.9
89.02436	1.9
101.02467	3.4
107.05015	0.7
108.02229	1.0
111.00888	14.9
112.07702	1.3
113.02435	2.5
119.05007	0.8
121.02963	50.9
122.03290	1.4
125.02444	14.3
129.01953	27.5
131.05014	2.5
133.02916	1.6
133.06616	9.3
135.04535	4.6
145.02885	0.9
155.10794	1.1
158.56631	0.8
159.04567	1.6
161.04671	1.5
161.06067	5.6
163.03918	0.8
167.03546	1.0
173.00948	8.6
179.03554	1.1
181.05080	0.8
189.05560	11.8
190.06033	0.9
191.05542	1.4
192.06021	0.9
193.05080	0.8
199.09782	1.2
213.14883	1.1
231.54196	1.8
251.05594	15.8
252.06163	0.8
255.14986	1.3
291.92700	0.9
295.04651	3.8
297.69040	0.9
309.20740	3.4
325.44952	0.9
373.20648	2.6
417.11700	1.6
417.20383	1.2
417.24847	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	416.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
60.63156	0.3
61.98830	100.0
64.15891	0.3
64.94556	0.3
69.82137	1.3
71.01385	0.5
75.00890	0.3
80.52927	0.2
80.58332	0.3
81.90702	0.3
85.02951	0.5
92.32896	0.3
93.03474	0.5
98.19978	0.5
114.05619	0.3
149.02440	0.4
150.03246	0.5
161.02417	0.3
165.05577	1.0
168.99376	0.3
173.04552	0.8
179.03517	0.3
181.05162	0.3
191.05605	6.8
192.05994	0.3
234.30312	0.3
254.06718	0.3
353.08722	0.8
402.54544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
58.99608	1.0
59.01381	26.2
62.13686	0.6
71.01383	5.1
71.55046	1.3
73.02946	2.7
75.00855	1.2
76.84635	0.6
83.01398	1.3
84.45182	0.7
85.02950	3.5
86.03341	0.7
87.00899	1.1
87.04493	0.9
87.82172	0.7
89.02455	2.5
93.03469	2.3
95.01395	0.9
101.02454	6.2
102.98578	2.2
107.05029	3.0
109.02940	1.0
113.00224	0.6
113.02434	2.1
119.03545	1.0
123.00893	0.8
123.04536	1.0
125.02446	3.0
126.03230	4.5
135.04478	0.7
137.02483	3.9
149.02426	0.7
149.04971	0.9
149.06068	6.2
151.00383	4.3
151.11270	2.5
161.04486	0.8
163.04189	0.8
164.01152	1.2
165.01881	1.4
165.04062	1.7
166.02725	9.9
167.03377	1.1
179.03484	2.1
181.05072	12.8
181.73830	0.8
183.04503	1.2
190.00833	0.8
191.05605	5.4
195.10262	7.4
211.03951	2.1
227.03491	66.4
228.03891	4.4
241.04628	1.0
241.14471	2.2
255.02986	83.1
255.10240	8.0
256.03622	11.9
257.04654	1.0
266.80969	0.8
283.15448	1.4
284.03256	78.7
285.03964	30.0
286.04346	1.4
287.16821	2.1
331.03961	2.3
331.17615	0.8
359.57440	0.8
375.18378	2.8
385.13538	0.8
387.10559	1.8
402.13248	2.3
417.08273	100.0
417.15143	5.5
417.20105	7.5
418.08606	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	416.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25567	1.5
57.03452	2.4
58.86768	1.4
59.01376	4.2
61.98832	19.5
67.01893	4.0
68.84821	1.3
69.72460	8.3
71.01379	5.6
73.02956	2.7
79.26250	1.6
79.73616	1.3
83.01379	1.7
85.02939	8.9
87.00876	3.8
89.02441	2.0
93.03453	24.5
109.02991	2.8
111.04510	6.4
125.02434	8.6
127.04052	1.8
134.03755	1.4
135.04524	60.3
136.04828	3.1
137.02423	6.8
151.00340	9.1
155.03554	4.2
161.02440	3.3
169.01448	3.5
173.04544	100.0
174.04921	4.3
179.03491	60.8
180.03806	3.7
181.05190	1.4
191.05608	62.9
220.94827	1.4
353.08755	80.1
354.09177	6.8
417.10037	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	415.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90387	0.9
58.88357	0.8
59.01380	100.0
62.77281	0.9
65.54799	0.8
69.17452	2.8
69.17863	6.1
148.25270	0.9
191.57083	0.9
415.15283	1.3
416.16473	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73905	0.6
51.34662	0.6
59.01382	100.0
71.16302	1.3
77.83574	0.7
80.65953	0.7
106.65405	0.6
215.08955	0.6
265.80463	0.6
326.60849	0.7
371.24408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35702	0.4
59.01389	0.6
61.98828	11.0
67.38280	0.4
70.83547	0.4
71.01401	0.5
71.63823	0.4
77.15667	0.5
79.68019	0.4
85.02957	6.5
87.00884	1.4
93.03460	2.0
96.65368	0.4
109.02959	0.5
111.04539	0.9
127.03995	0.9
133.02925	0.4
135.04535	1.3
139.28093	0.4
141.40924	0.4
161.02470	1.3
167.03519	0.7
171.02997	0.4
173.04558	1.9
179.03491	1.6
191.05614	100.0
192.05948	4.0
214.19101	0.5
332.81616	0.5
353.08786	11.5
354.09290	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69013	0.8
59.01375	2.2
61.98832	100.0
67.62809	0.9
68.99580	1.1
71.54360	1.0
71.54739	1.0
72.49815	0.8
78.95905	3.2
90.60470	1.0
110.98521	2.6
114.05615	3.4
116.92883	0.9
183.75516	0.8
191.05658	2.8
225.50661	1.0
232.61011	1.1
241.76895	1.0
279.26907	2.5
323.26059	1.1
341.27014	1.9
371.11719	1.3
415.11288	2.7
416.25879	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	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47967	0.2
57.03447	0.8
59.01377	100.0
59.76367	0.2
60.01708	1.1
68.95667	0.2
69.32370	1.3
69.32783	0.4
71.01376	2.4
73.02946	0.5
75.00864	1.0
80.72440	0.2
83.01393	0.8
85.02950	2.3
87.00902	0.2
89.02461	0.7
95.01388	0.4
99.00881	0.4
100.81236	0.2
101.02445	1.5
113.02444	1.0
119.03527	0.4
125.02438	2.2
147.03046	0.4
147.25305	0.2
151.00417	0.5
161.04547	0.7
165.04010	1.8
169.01384	1.8
191.02023	0.3
191.05739	0.3
211.17189	0.2
223.13417	0.6
243.55518	0.2
256.63379	0.3
267.06735	0.3
283.11926	0.3
291.26492	0.2
295.06033	0.5
373.22348	1.3
415.11392	0.3
415.16455	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	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.03448	0.8
58.00598	0.5
59.01379	100.0
60.01720	1.4
61.98830	1.0
66.68352	0.3
69.52985	1.8
71.01385	6.2
71.04986	0.3
72.99325	0.3
73.02956	1.6
74.91531	0.2
75.00886	0.8
83.01405	1.1
85.02954	4.3
87.00876	0.7
89.02438	3.4
93.03458	0.5
95.01431	0.5
98.19846	0.2
99.00888	0.5
101.02438	4.3
105.01985	0.4
113.02441	2.2
119.03524	1.0
122.52283	0.3
125.02498	0.7
129.01906	0.4
130.67773	0.3
137.02469	0.4
143.03484	0.3
147.03049	0.8
149.04536	0.5
159.02980	0.3
161.04539	2.3
165.04008	2.5
172.13165	0.3
191.02007	0.8
191.05656	1.0
211.03995	0.4
223.13390	4.6
249.11615	0.3
267.12341	2.4
283.12045	1.1
329.09299	0.5
334.32306	0.3
339.13455	0.4
373.22330	1.7
415.15863	4.7
415.24332	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51807	0.5
57.03479	0.4
59.01379	100.0
60.01722	0.8
61.98854	0.5
69.03448	0.5
69.58236	2.7
71.01381	9.9
72.99312	0.8
73.02948	3.9
75.00880	0.7
83.01402	1.7
85.02950	4.9
87.00882	0.7
87.73251	0.5
89.02443	8.4
95.01388	0.6
98.83240	0.5
101.02444	7.2
109.02958	0.8
111.00874	0.8
113.02445	4.0
119.03508	2.5
124.01630	0.7
125.02435	0.6
129.01965	1.0
131.03410	1.0
131.18597	0.5
137.02443	1.0
139.00346	0.6
147.03024	0.9
149.04549	1.3
152.01147	1.0
152.04826	2.0
153.01926	5.2
161.04602	0.9
165.04057	1.9
167.03514	3.0
181.01416	15.9
182.01889	1.1
186.61598	0.5
191.01927	0.9
195.02982	6.9
196.03758	7.7
197.04205	0.7
211.06100	22.9
212.06458	0.8
223.13303	2.4
223.75206	0.6
267.12439	1.9
283.11899	0.8
315.16937	0.4
318.24521	0.7
385.07986	0.9
400.10046	1.2
415.11792	5.1
415.16934	1.5
415.23825	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44350	0.2
53.18311	0.2
55.01875	0.9
57.03439	1.5
58.00600	0.4
59.01377	100.0
60.01724	1.1
61.98849	0.2
65.80043	0.2
68.00565	0.2
71.01378	7.1
71.05022	0.3
71.54955	0.2
72.99303	0.6
73.02954	1.6
75.00867	2.8
83.01400	0.9
83.04124	0.2
85.02948	9.7
87.00877	1.2
89.02444	3.3
93.03484	0.3
95.01414	0.3
99.00913	0.7
101.02442	3.8
111.00886	0.4
113.02441	2.5
117.55973	0.2
117.97315	0.5
119.03515	1.1
129.01923	1.5
143.03401	0.3
147.03011	2.2
149.04579	0.9
153.01988	0.4
159.02965	0.3
161.04503	2.0
165.04028	7.0
166.04440	0.3
167.03607	0.3
173.04541	0.3
181.01425	1.2
191.01990	2.8
191.03763	0.3
191.05559	1.1
195.02956	0.4
196.03891	0.6
209.03101	0.7
211.06064	1.8
223.13388	4.4
223.15349	0.4
224.13675	0.3
267.06772	0.4
267.12363	2.6
295.06165	0.4
356.84839	0.2
373.22348	1.7
415.11212	0.5
415.16061	4.1
415.24097	0.5
416.16608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
61.98832	2.9
70.17241	0.6
71.22961	1.3
74.99108	6.8
77.00668	70.8
78.95885	1.0
84.79227	0.6
90.28612	0.6
116.92854	1.1
123.00077	0.6
147.08167	1.8
149.09692	1.1
158.36113	0.6
161.09712	0.7
163.11308	1.5
187.11310	2.4
191.05600	2.0
202.49519	0.7
279.13892	1.0
280.14682	1.3
307.17328	0.7
309.22202	2.1
337.21722	100.0
338.22064	12.9
415.23117	18.0
415.28653	1.0
416.23459	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	415.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83925	0.6
59.01364	2.4
61.98820	2.8
70.58423	1.4
87.00867	4.8
147.05928	0.6
159.11946	0.6
163.42627	0.6
191.05606	1.3
229.61311	0.6
237.18657	0.5
249.18388	0.8
265.21658	1.8
275.20193	5.8
293.21231	31.3
294.21567	2.9
309.18854	2.6
327.19968	61.2
328.20367	5.1
355.12048	0.7
415.21573	100.0
416.21848	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	415.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98833	94.3
71.54462	32.6
116.92858	35.1
154.73236	26.9
190.57690	25.7
191.05644	64.8
250.58789	25.5
354.82977	32.6
398.50592	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	415.1972
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01873	1.4
57.03445	1.0
57.19608	0.4
58.00583	1.7
59.01377	100.0
60.01722	1.0
69.03434	2.3
69.34193	3.5
71.01379	51.4
72.01748	0.9
72.99297	2.2
73.02944	79.4
74.03277	1.3
75.00866	0.9
75.54954	0.3
81.03453	0.9
83.01382	22.8
85.02950	7.4
87.00867	1.7
89.02441	17.7
95.01370	2.3
96.96047	0.5
97.02950	1.0
99.00871	2.2
99.04559	0.4
101.02438	66.2
102.02782	1.6
113.02451	15.8
114.02734	0.4
119.03505	5.7
123.04486	0.4
125.02434	2.4
131.00102	0.4
131.03488	4.0
136.35352	0.3
143.03503	5.0
146.42166	0.4
147.03003	0.6
149.04553	4.3
155.03496	1.7
161.02484	0.5
161.04546	11.0
165.01866	0.4
165.04048	0.5
179.05595	0.5
191.05548	0.7
193.12335	9.6
194.12683	0.6
201.67416	0.4
201.78972	0.4
203.05630	1.1
206.77786	0.5
211.13425	0.8
223.13438	0.7
263.59091	0.5
267.12418	1.4
295.11880	1.3
325.12973	0.7
355.17581	3.7
373.18643	10.4
374.18896	0.9
415.19724	30.2
416.20120	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	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.2
57.03446	6.4
59.01379	100.0
60.01708	1.3
60.24662	1.0
69.59969	7.0
71.01379	10.8
71.05018	3.0
73.02946	2.4
75.00867	16.4
83.01387	1.7
83.05062	1.4
85.02951	31.8
87.00881	12.0
89.02456	5.7
93.03452	1.3
99.00887	3.2
101.02441	5.4
102.98637	1.8
105.01939	6.1
111.00896	2.0
113.02448	3.3
119.03471	1.9
119.04993	1.4
125.02444	1.5
129.01971	6.2
135.04556	1.8
147.02972	11.8
149.04523	2.0
151.00407	1.3
161.04504	1.6
161.09740	1.6
161.13324	1.5
163.11278	1.5
165.04039	89.8
166.04366	3.1
173.04507	1.4
179.03426	1.0
191.01994	10.6
191.05623	4.2
209.02982	2.1
221.11913	1.4
223.13393	68.6
224.13722	4.2
264.30756	1.0
266.94193	1.1
267.12381	19.1
268.12695	2.5
283.11963	1.8
329.01364	1.1
329.05487	1.1
415.15961	26.0
416.16287	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.7
57.03444	1.2
59.01382	100.0
60.01730	0.9
61.98831	1.9
62.99871	0.5
69.27742	5.2
71.01382	6.4
73.02944	4.1
75.00877	0.8
82.96045	0.5
83.01402	2.7
85.02955	6.4
87.00901	0.8
87.17760	0.7
89.02457	2.7
92.51274	0.6
95.01433	1.0
96.96038	0.7
101.02460	4.6
111.00906	0.6
113.02462	2.7
119.03536	1.0
121.02937	0.6
125.02488	0.8
129.01982	0.9
135.04581	1.6
137.02478	0.9
143.03542	0.7
147.03087	0.7
147.04349	0.5
160.41969	0.6
161.02496	1.4
161.04550	2.8
163.04033	3.3
165.01869	1.0
165.04085	1.2
173.04572	0.6
178.05035	0.6
178.06357	3.0
179.03546	1.7
191.02000	0.7
191.05659	3.7
193.01463	0.6
193.08759	4.3
194.09042	0.5
205.05106	1.1
209.06676	1.7
214.93582	0.5
235.02592	0.7
246.17366	0.6
251.08846	0.5
263.16483	0.6
267.16144	0.8
294.12958	0.6
301.03653	0.6
331.82043	0.5
371.07687	0.7
377.22531	0.5
415.15027	0.8
415.19595	3.1
415.24487	1.1
416.19705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26954	0.6
55.01878	3.2
57.03448	2.9
58.15198	0.7
59.01377	100.0
60.01720	1.7
61.98830	2.4
69.16634	2.2
69.17059	5.7
70.59356	0.7
71.01386	9.2
71.05021	1.0
73.02959	1.6
75.00872	7.8
83.01393	1.4
83.05013	0.8
85.02943	9.8
87.00853	4.4
89.02436	8.0
99.00894	1.2
101.02430	7.0
105.01943	2.0
108.10925	0.7
108.12311	0.6
111.40885	0.7
112.34885	0.6
113.02468	3.3
119.03511	2.6
125.02502	0.9
129.01932	1.7
142.63626	0.8
147.02974	3.9
149.04541	1.7
161.04543	2.1
161.09741	2.0
161.13326	2.1
165.04036	26.1
165.05444	1.3
168.00618	1.0
172.55690	0.7
178.59119	0.8
187.11287	1.8
191.05615	2.0
207.10266	1.8
223.13371	50.2
224.13718	3.8
261.97278	0.9
267.12360	28.9
268.12805	1.7
283.11890	2.0
415.16077	47.7
416.16257	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	415.1609
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01877	0.8
57.03441	1.7
58.00606	2.7
59.01385	71.3
60.01714	0.6
61.98851	0.5
64.29330	0.6
69.03467	0.8
71.01388	50.7
72.01724	0.6
72.99310	2.6
73.02950	17.4
75.00837	0.6
75.58218	0.6
81.03448	1.0
83.01418	2.6
85.02953	11.1
87.00899	3.2
89.02450	100.0
90.02790	1.9
93.03478	0.7
95.01398	2.0
97.02961	1.5
97.06628	0.8
99.00887	27.4
101.02445	33.8
102.02818	0.7
108.02174	1.9
111.00880	1.3
113.02454	10.4
114.05648	0.8
114.98583	0.6
119.03516	7.6
121.02930	0.8
123.04520	2.4
125.02463	5.0
131.03510	16.9
135.04561	1.2
143.03510	2.8
149.04565	61.8
150.04869	1.3
151.07628	0.5
152.01166	2.2
156.51180	0.5
161.04562	5.0
167.03505	11.4
172.43901	0.5
173.04567	1.5
179.03432	0.5
179.05638	2.1
191.02017	0.8
191.05615	17.4
193.08821	0.6
193.63684	0.6
209.04604	3.5
209.06750	1.2
221.06644	2.7
223.06154	0.7
225.74875	0.6
239.05713	1.0
239.12944	0.9
251.07719	3.8
283.11896	0.7
289.07053	2.0
356.40506	0.7
415.16373	12.3
415.21909	1.0
416.17230	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	415.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49548	0.6
57.03451	2.5
59.01378	100.0
60.01725	0.8
61.98825	5.6
65.34326	0.5
71.01382	11.9
71.09645	0.6
72.99310	1.6
73.02943	6.8
75.00874	13.4
83.01401	2.5
85.02950	10.7
85.22691	0.7
87.00874	2.8
89.02441	4.9
93.03461	1.5
95.01379	1.0
99.00878	1.8
101.02440	9.5
113.02424	5.6
119.03520	1.5
120.04570	0.8
125.02456	1.0
129.01968	4.9
130.86879	0.5
133.02959	0.7
135.04572	1.1
136.07619	0.6
143.03477	0.8
147.03029	3.8
161.02431	1.5
161.04549	3.5
161.13391	0.9
163.03983	1.9
165.04048	26.8
166.04401	1.2
167.03474	0.8
173.04532	2.6
178.06288	1.0
179.03490	1.1
179.10768	1.5
186.66344	0.6
187.13364	1.2
191.01939	1.7
191.05539	3.6
193.08678	2.3
193.12344	4.5
205.12366	1.1
209.06624	2.4
223.13350	7.9
229.00439	0.6
235.02364	1.4
265.03537	1.8
265.86792	0.7
267.12259	2.2
268.09509	1.2
291.67557	0.6
295.04364	0.7
353.08572	0.8
355.17517	2.8
371.16879	0.8
373.18347	1.2
415.15881	25.7
415.24103	1.3
416.16278	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	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98837	1.1
57.03440	3.6
59.01379	100.0
59.39894	1.1
61.98820	1.8
65.00320	2.2
70.29738	4.3
71.01382	22.9
71.05022	2.3
72.99269	2.4
73.02942	7.0
75.00865	16.4
77.03957	1.2
81.18374	1.2
83.01392	3.6
85.02945	17.9
87.00876	4.6
89.02439	16.6
93.03467	2.1
95.01372	2.6
99.00896	3.6
101.02450	17.4
101.06087	4.7
102.98602	2.3
103.24458	1.2
107.01390	1.5
108.02171	41.9
109.02989	10.3
113.02452	10.0
117.03465	10.4
119.03500	8.9
120.99622	2.0
121.02967	2.9
123.04508	1.9
124.01640	1.4
125.02437	3.9
129.01981	6.2
135.04561	2.9
137.02397	2.8
147.02968	5.7
149.02487	2.8
149.04453	1.9
151.00323	2.3
151.03986	2.5
153.01909	7.8
159.03001	1.7
159.04314	1.3
161.02432	6.9
161.04532	6.8
163.00363	2.1
163.03973	3.4
165.01920	2.9
165.04034	56.9
166.04362	1.9
167.03522	2.0
175.04077	1.2
179.05586	2.8
181.01418	51.1
182.01776	2.2
191.01981	2.8
191.03578	1.5
191.05582	2.2
195.02977	5.3
196.03772	11.8
211.06094	49.6
223.02278	1.6
223.13361	24.3
224.13750	2.6
235.13359	2.5
239.07071	2.0
253.07106	3.8
259.19943	1.3
267.12338	20.7
268.03690	6.5
269.04510	13.1
281.04514	18.1
282.05261	15.1
283.06082	32.5
284.06378	3.1
293.04602	2.2
295.06104	8.0
309.04044	1.5
309.07404	1.3
311.05591	76.9
312.05914	5.8
314.04266	3.0
314.07986	1.1
323.05502	12.0
325.07309	1.7
341.06653	51.4
342.07062	5.5
353.19559	3.7
355.13971	9.7
386.28693	1.5
397.09219	10.5
397.14252	2.0
400.09836	1.7
415.10287	58.9
415.16046	40.0
415.24149	1.8
416.10602	6.1
416.16345	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	415.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98221	0.6
55.01862	1.5
57.03428	1.7
58.00591	1.1
58.70133	0.4
59.01378	28.1
61.17281	0.5
61.98797	0.7
63.63330	0.5
69.03455	3.4
69.37081	3.0
69.37495	1.0
71.01380	17.7
72.99297	0.7
73.02947	3.9
75.00851	0.9
77.03954	1.5
79.01884	2.0
81.03455	2.0
83.01389	3.3
85.02946	8.9
87.00849	1.5
87.04522	0.5
89.02443	8.8
93.03461	0.7
95.01369	2.6
95.05034	0.5
97.02958	3.5
97.06589	0.7
99.00883	1.4
99.04425	0.7
100.54381	0.4
101.01805	0.8
101.02441	10.6
101.06081	3.8
107.01382	2.3
108.02180	0.8
109.02971	0.6
111.00922	0.6
113.02448	6.6
117.03459	3.5
119.03473	3.0
121.02956	1.6
123.00874	6.9
124.01657	21.3
124.56728	0.5
125.02444	67.5
126.02791	2.2
129.01979	0.8
135.04485	1.2
136.01561	0.5
137.02452	2.5
143.03473	1.1
149.02461	1.0
149.99582	36.9
151.00378	3.2
159.03008	0.8
159.04526	0.9
161.02425	1.8
161.04549	5.3
163.00496	0.6
163.03972	2.3
165.01945	1.1
165.03983	2.6
167.03522	1.0
168.00633	68.6
169.01382	5.8
179.03604	0.6
179.05647	0.8
182.78474	0.6
191.02043	0.7
191.03683	0.6
191.05608	1.5
193.01428	0.8
216.19482	0.5
223.13446	1.5
237.05582	0.7
268.03668	1.0
269.04611	1.4
281.04602	1.8
282.05423	1.4
283.06113	17.9
283.11557	0.8
284.06442	2.0
293.04605	1.0
295.06259	1.0
311.05594	20.5
312.06104	2.1
313.05716	0.9
323.05768	1.8
341.06693	2.9
341.19760	0.6
349.00650	0.6
353.19690	2.9
371.20917	1.1
385.19199	0.6
397.11362	4.9
415.12509	100.0
416.12875	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87516	0.9
57.03444	1.8
59.01379	100.0
61.98846	1.2
64.57655	1.1
67.01888	2.5
69.34089	3.5
69.34516	5.1
70.17088	1.0
71.01376	7.8
71.04984	1.0
71.58046	1.0
73.02939	2.5
73.64433	0.8
75.00858	1.8
81.03461	1.3
83.01392	1.7
85.02955	13.1
87.00873	2.0
89.02438	3.0
91.01889	4.2
93.03463	2.5
95.01388	2.9
99.00871	1.7
101.02438	2.5
107.01373	2.3
108.02161	3.0
109.02941	3.7
109.39095	1.0
111.00884	6.0
113.02460	3.1
119.01396	1.5
119.03482	1.2
119.04959	1.2
121.02888	3.3
122.03754	1.1
123.00874	1.6
123.04512	16.3
125.02444	2.7
129.01874	1.2
134.45782	1.1
135.04474	1.6
137.02426	2.3
149.04530	3.7
150.03220	1.2
151.00368	7.1
151.04005	52.1
152.01129	7.3
152.04353	2.1
153.01897	1.6
165.04095	4.8
166.02710	9.2
167.03494	60.2
168.03825	1.7
173.04558	1.2
175.00291	1.1
179.03635	1.1
181.05070	10.7
191.01920	1.6
191.03519	2.7
191.05620	3.8
194.02159	6.2
195.02956	1.9
196.03789	1.1
209.04544	57.4
210.04861	3.7
221.04625	1.3
223.13422	1.3
239.05551	12.1
255.05141	2.4
269.06671	17.8
270.06979	1.7
281.06598	1.0
281.41107	1.1
283.11795	1.7
329.08896	3.9
371.09692	2.5
380.81442	1.0
399.18295	1.1
415.11502	5.2
415.16647	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	415.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83826	1.1
55.01865	1.1
57.03450	2.6
59.01381	14.1
60.37537	1.2
61.98835	2.5
69.61338	1.8
69.61745	4.8
71.01373	5.4
73.02950	4.3
75.00889	1.1
75.47588	1.1
81.03464	2.6
83.01386	15.0
85.02954	14.9
87.00892	3.2
89.02456	4.1
93.03459	11.3
95.01402	2.0
95.05050	2.2
96.96003	2.1
97.02956	2.2
97.06678	1.3
98.95576	1.6
99.04547	1.2
101.02449	3.8
107.01406	3.3
107.05019	3.8
108.02180	2.8
109.02968	6.2
111.00893	2.2
113.02432	3.7
119.05029	10.9
121.02958	3.1
121.06625	1.6
123.00865	1.8
123.04523	6.4
125.02457	2.1
129.01939	1.2
133.06596	1.6
135.04501	3.8
136.01613	1.2
137.02441	22.9
137.06087	2.2
139.03999	6.1
143.03535	1.3
145.06549	1.3
147.02960	2.2
147.08228	1.3
149.02386	2.4
149.04544	2.5
149.06070	6.8
150.03229	2.1
150.14171	1.0
151.00412	2.3
151.04033	10.5
151.07613	1.1
153.01926	2.0
153.05583	2.7
161.02376	1.7
163.03999	4.5
164.04802	3.3
165.01958	2.1
165.05553	5.0
167.03488	10.2
167.07188	1.1
173.04637	1.2
173.06056	2.5
173.74088	1.1
175.04089	1.3
176.04776	2.1
177.01915	1.3
177.05582	3.1
178.02676	1.4
178.06384	1.5
179.03482	4.6
180.04259	2.1
181.05066	4.1
187.43918	1.4
191.01971	1.7
191.03522	4.2
191.05580	2.8
191.07159	3.9
191.09099	1.2
192.04210	1.7
193.01382	2.2
193.05055	10.1
196.07408	10.3
203.03661	1.2
204.04306	2.5
205.01338	1.9
206.02177	10.7
207.02596	1.6
207.06595	4.9
209.04535	3.7
211.09727	12.2
217.05151	2.0
219.03003	5.5
219.06612	4.0
220.03781	7.7
221.04556	7.3
223.06116	4.0
233.04536	3.2
235.02516	20.8
235.06082	62.1
236.02782	2.7
236.06435	5.9
248.03249	6.1
251.05606	1.7
262.04758	3.3
263.05588	100.0
264.06024	5.7
265.03528	9.4
265.07144	3.1
275.05524	3.3
277.07303	1.4
283.11780	1.6
293.06641	13.3
295.04568	9.0
295.08237	15.9
295.11603	2.4
325.05719	2.9
329.07602	1.6
355.06506	2.6
355.13861	1.5
365.08783	2.7
383.09827	76.6
384.09955	6.9
415.08231	5.4
415.12866	21.2
416.07858	1.4
416.12692	1.6
416.17294	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43473	1.3
55.07730	1.3
57.03444	4.7
59.01381	16.0
61.98824	3.4
71.01383	5.6
71.54832	1.7
73.02949	3.7
74.14002	1.3
79.37890	1.2
79.55892	1.2
81.03459	3.3
83.01385	16.9
85.02946	10.4
87.00890	3.6
89.02442	3.2
93.03456	7.3
95.01417	1.6
95.05035	3.3
97.02934	2.0
98.95627	2.5
101.02430	3.1
107.01366	11.3
107.05010	3.9
109.02957	4.8
111.00881	1.6
113.02441	1.9
116.02326	1.4
119.05032	13.5
121.02967	3.4
123.04532	7.6
125.02467	5.1
135.04515	5.7
137.02457	18.0
137.06062	2.2
139.03990	6.6
144.04475	1.3
149.02455	4.8
149.04561	2.3
149.06064	8.1
150.03232	1.9
151.00327	3.1
151.03998	10.4
151.07671	2.0
152.01123	2.6
152.91718	1.3
161.02446	2.1
163.04042	3.6
164.04822	2.7
165.01898	1.3
165.05580	3.4
167.03455	11.0
167.07127	2.0
173.04445	1.6
173.06012	2.9
175.04074	1.5
176.04762	2.2
177.05565	4.6
178.02670	1.6
178.06329	1.4
179.03421	4.1
180.04231	2.8
181.05069	7.7
189.05571	2.3
191.01996	2.2
191.03490	5.0
191.05536	2.9
191.07158	5.2
193.01367	6.0
193.05064	9.0
196.07419	5.3
203.03413	1.5
205.01404	4.3
205.04996	1.8
206.02226	11.5
207.02736	1.9
207.06630	4.6
209.04550	2.7
211.09779	10.4
217.05014	1.8
219.03036	7.0
219.06575	3.7
220.03802	8.4
221.04521	5.9
223.06213	3.3
233.04581	2.4
235.02470	41.8
235.06107	57.0
236.02788	1.7
236.06369	3.9
248.03197	5.4
262.04803	2.4
263.05588	100.0
264.05978	6.3
265.03513	15.8
265.07144	3.0
275.05521	3.3
293.06696	13.2
295.04556	16.8
295.08218	16.8
295.11615	3.1
325.05658	3.2
329.07285	2.2
355.06644	7.9
365.08554	1.7
372.09286	1.8
383.09818	75.6
384.10071	6.4
415.08438	11.1
415.13260	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01381	100.0
60.01707	1.0
61.98837	1.3
68.21935	0.4
71.01392	2.5
71.54765	0.5
73.00661	0.4
73.02967	1.2
75.00900	0.7
77.90232	0.4
78.91886	1.3
83.01389	0.6
84.02176	0.5
85.02953	13.3
87.00889	1.2
89.02460	1.1
90.75740	0.4
91.01918	0.9
93.03455	1.0
96.96031	1.8
100.33381	0.4
101.02469	0.8
106.84044	0.4
111.00921	0.4
119.01442	0.5
121.02969	1.3
123.04552	1.1
128.03566	0.5
129.01959	1.1
135.04483	0.6
137.02492	0.9
145.35591	0.5
147.03029	1.8
151.04008	19.0
159.10234	0.5
165.04088	1.2
167.03491	1.3
173.00940	0.8
191.01965	4.9
191.05650	1.2
209.03030	1.3
219.49141	0.5
223.13356	2.6
267.12466	1.0
283.11887	0.5
329.09000	2.4
339.07260	0.6
355.18106	0.5
371.10446	0.7
415.09229	1.3
415.15768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
55.52034	0.7
57.03444	1.3
57.06913	0.7
58.37909	0.6
59.01377	100.0
60.01709	1.1
61.98832	3.4
62.46011	0.7
64.76311	0.7
65.14053	0.8
69.03452	3.3
69.50198	4.9
71.01376	13.3
71.05022	0.9
72.99310	1.1
73.02947	3.4
75.00874	3.1
79.01930	1.1
79.05525	1.4
83.00893	0.7
83.01378	2.7
85.02946	13.1
87.00880	1.5
89.02444	8.8
95.01400	2.1
97.02965	1.9
97.06597	2.0
98.03250	0.7
98.20679	1.4
99.00884	1.0
99.04491	0.9
101.02441	8.5
101.06062	3.0
102.98582	0.8
107.01391	1.7
113.02458	4.3
119.03481	3.5
120.99662	1.1
123.00867	3.7
124.01656	12.5
125.02440	47.4
126.02789	1.4
129.01958	1.5
137.02438	1.6
143.03523	0.7
147.02939	1.9
149.04549	3.4
149.99576	24.6
151.00311	2.9
161.04524	2.8
165.04028	9.7
167.03474	1.8
168.00642	45.6
169.01228	2.8
191.01909	2.9
191.05585	2.2
206.51889	0.8
223.13353	5.7
267.12302	2.6
283.06119	2.0
283.11829	5.5
284.12033	0.7
311.05612	2.7
313.05255	0.8
397.11267	2.6
415.12250	82.5
416.12625	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	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
57.03199	1.1
57.03447	14.3
59.01379	28.1
61.00047	0.8
65.00326	8.1
71.01389	8.3
71.54082	0.8
71.54459	1.3
72.99303	1.4
73.02929	2.2
75.00869	7.7
81.03436	3.1
83.01385	19.9
84.02164	1.0
85.02949	38.8
86.03278	1.4
87.00855	3.6
89.02455	4.3
89.02953	0.7
93.03431	1.8
96.95969	0.9
97.02930	2.3
99.00854	1.6
99.04543	1.3
101.02427	2.9
102.98584	2.8
103.00360	1.2
107.01387	17.1
109.02917	1.0
111.00871	1.6
113.02452	4.3
114.05584	1.1
118.55027	0.8
121.02908	1.0
121.06596	1.5
124.01643	3.6
125.02444	56.3
126.02765	2.3
129.01927	5.0
131.01344	1.0
137.02429	1.2
139.04001	1.5
147.02998	5.3
149.02415	2.2
149.04501	1.0
151.00365	83.8
152.00677	3.2
161.04518	1.0
165.04031	28.0
166.04321	0.8
167.03456	2.0
168.00578	3.2
169.00003	1.6
169.01411	24.4
170.01825	1.1
173.04546	1.1
175.00363	7.8
180.50543	0.9
181.01439	2.2
191.01985	11.8
191.05540	4.1
193.01395	5.6
197.79958	0.8
209.02989	4.3
211.02463	1.9
211.06006	1.9
223.13388	8.8
224.13770	1.0
237.14838	1.2
239.12863	2.2
253.08757	0.8
267.12415	4.7
283.11880	0.9
329.09012	1.5
355.10117	1.1
415.12332	100.0
416.12640	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1034
Annotation	Bayin
Peak:m/z	Relative Intensity
55.01874	1.0
57.03443	2.1
59.01379	95.4
60.01702	1.4
61.98831	5.5
65.00345	0.7
71.01378	17.5
71.55518	1.0
72.99310	0.8
73.02942	10.9
75.00866	1.7
77.03984	2.6
79.01912	2.5
83.01371	3.8
85.02960	8.9
87.00875	1.8
89.02443	8.8
89.03985	0.7
93.03475	0.7
95.01375	1.0
97.06633	1.2
99.00881	1.6
101.02447	12.9
105.03486	0.8
106.61121	0.8
108.85075	0.7
111.00895	0.8
113.02442	6.5
117.03477	1.7
119.03504	3.1
119.04997	1.4
121.02978	2.5
125.02457	1.8
129.01929	0.8
130.96820	0.7
131.03566	0.7
135.04636	0.8
137.02408	0.7
143.03423	1.0
143.05037	2.3
145.02962	3.0
147.03003	1.3
149.04515	1.6
151.00369	1.4
157.90805	0.6
159.03055	0.7
161.04543	5.1
165.01941	3.0
165.04066	1.5
167.04956	0.8
167.08641	0.8
168.39561	0.8
173.04588	0.9
179.05548	1.0
180.96725	0.6
181.06578	2.9
191.01939	1.5
191.05624	3.2
193.12395	1.2
195.08044	1.0
209.06038	0.9
211.03906	0.6
211.13423	1.2
221.06076	1.0
223.07626	5.6
223.09561	1.0
223.13391	2.8
235.07782	0.7
237.05519	1.1
238.06210	1.7
239.07138	1.5
253.05032	4.8
263.07217	1.0
265.05014	7.3
266.05801	3.4
267.06598	65.4
268.06992	4.8
269.04449	0.7
277.05042	2.5
279.06570	6.5
283.11581	1.5
293.04633	1.7
295.06091	100.0
296.06491	7.9
298.04794	3.4
307.06079	10.3
308.06201	0.8
309.07623	1.0
311.05508	1.6
323.05579	1.0
325.07138	28.1
326.07416	2.3
337.07166	2.0
339.08453	1.0
341.06610	1.2
355.17618	1.5
367.08362	0.8
373.18460	0.7
373.22614	1.0
397.09451	1.4
415.10324	69.6
415.19534	3.7
416.10629	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	415.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.3
59.01111	2.1
59.01382	53.7
60.01744	0.8
61.98875	3.3
64.80751	0.7
65.00343	0.9
68.99860	1.5
69.78041	4.4
69.99326	0.8
71.01397	7.0
71.05070	0.8
73.03004	2.3
73.98369	2.5
74.99136	1.7
75.00920	0.9
79.05579	1.0
81.03455	4.4
83.01384	11.9
85.02950	5.9
87.00954	2.0
89.02509	3.2
93.03513	2.2
95.01472	0.8
95.05070	1.2
96.96039	1.4
97.02975	0.9
98.19910	1.4
101.02448	4.8
103.00391	0.7
103.04140	0.9
105.03450	1.5
107.01398	18.8
107.05096	2.2
108.02242	2.5
109.03014	3.3
113.02493	4.4
117.97363	2.5
118.98103	3.6
119.03522	1.5
119.05080	2.5
121.02940	3.8
122.02505	1.4
123.00935	1.8
123.04530	20.8
123.05359	1.1
124.04882	1.0
125.02442	8.1
127.00426	1.5
129.01945	1.0
130.08762	0.8
135.04572	3.2
137.02451	4.2
139.04071	2.1
147.04561	1.6
149.02431	8.1
150.03244	0.9
151.00392	5.9
151.04045	1.0
152.01158	3.3
152.99599	1.3
153.01970	2.5
161.04611	3.2
163.04065	4.7
164.04840	0.8
165.02003	1.5
165.09229	2.3
167.03497	38.8
168.03886	2.3
177.05469	1.3
178.06383	2.8
179.03497	2.8
181.05058	0.8
191.02083	0.9
191.03593	3.0
191.05429	3.5
193.01418	15.1
193.05025	1.0
193.08723	14.3
194.01788	1.2
194.09027	0.8
196.07484	0.9
197.04555	1.5
205.01410	5.5
206.02132	1.3
207.02980	3.4
208.03568	0.7
209.04593	1.1
211.09799	2.5
217.04967	1.0
217.12193	0.8
219.02847	1.1
221.04547	2.0
231.99908	0.8
235.02472	100.0
236.02782	6.6
247.02469	2.3
251.05571	3.4
265.03534	43.2
266.03876	3.7
277.03488	2.0
281.06656	1.1
295.04602	39.7
296.04898	2.5
325.05667	11.0
332.19424	0.7
337.05670	3.5
337.54831	0.8
355.06708	22.4
356.07025	1.4
371.09161	2.4
379.17426	0.9
380.17776	1.1
383.05966	2.2
396.65964	0.7
397.07550	2.8
415.08539	47.7
415.19861	3.6
416.08865	4.8
416.17435	6.9
438.91547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.4
65.00327	1.0
68.99802	1.1
70.86980	1.4
71.01374	1.5
76.90456	0.6
81.03476	2.1
83.01390	11.7
85.02979	2.0
93.03464	1.7
95.01393	0.8
99.00923	1.1
105.03477	1.0
107.01396	18.8
107.05040	0.8
113.02436	0.8
119.05034	2.3
121.02944	1.1
123.00930	0.9
123.04540	2.9
125.02448	4.5
127.00368	0.9
135.04518	1.6
137.02409	3.5
139.04037	1.9
147.04524	1.6
149.02390	3.5
150.03249	0.8
151.00380	5.0
151.04016	1.1
153.01956	1.2
163.04008	4.6
165.02008	1.6
166.68161	0.8
167.03488	6.7
177.01981	1.3
178.02658	0.9
179.03525	2.1
181.05110	0.8
191.03502	1.7
192.55937	0.7
193.01433	12.9
196.07401	0.9
197.04640	1.1
205.01393	4.9
206.02191	1.2
207.02995	3.1
209.04669	0.9
211.09760	2.7
219.02931	1.0
220.03896	0.8
221.04456	1.8
235.02478	100.0
235.06270	2.9
236.02847	5.8
247.02609	0.9
252.63646	0.7
263.05603	4.3
265.03540	43.7
266.03885	2.2
277.03513	1.6
293.06537	0.7
295.04602	37.2
296.04922	3.0
325.05658	11.6
326.05777	0.7
337.05688	2.4
352.63535	0.7
355.06726	20.9
356.06967	1.7
383.10193	3.4
397.07755	2.4
415.08786	48.1
416.09042	4.8
416.17349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	38.6
59.33725	1.4
61.98840	1.7
71.01394	2.1
71.54391	2.6
85.02996	3.1
86.02486	10.7
155.10777	2.2
159.63820	1.4
166.24071	1.4
179.03461	2.2
213.28426	1.3
216.65784	1.3
265.21613	2.1
275.20233	5.9
293.21194	36.4
294.21545	1.7
309.19025	2.0
327.19986	100.0
328.20343	9.2
353.20123	1.4
414.23288	87.7
415.14264	2.8
415.23471	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	414.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24683	0.6
57.39276	0.5
57.87909	0.6
59.01362	1.8
61.98831	0.9
67.17811	0.6
67.71822	0.5
85.02920	1.0
86.01976	1.0
86.02479	14.3
96.36639	0.6
97.35394	0.5
117.10030	0.6
120.01252	1.4
121.02962	5.3
122.00803	1.8
123.04515	0.6
123.61229	0.6
137.98100	0.7
141.62030	0.5
177.12823	0.7
181.06648	0.7
184.59929	0.6
213.55858	0.6
237.18600	2.1
249.18495	2.2
249.22395	0.5
265.21777	4.6
271.53317	0.7
275.20132	6.3
283.17319	0.9
291.19687	0.9
293.21231	60.3
294.21570	6.3
309.19006	2.7
316.14633	0.6
327.19980	100.0
328.20328	9.2
357.06180	3.8
381.88718	0.6
414.23199	81.1
415.23575	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13979	0.5
57.03432	1.2
59.01382	5.4
61.98836	4.6
69.60191	2.2
69.60593	1.4
71.01379	2.5
73.02938	2.9
79.05531	8.6
79.76460	0.6
81.03454	5.4
83.01417	0.8
84.02222	0.7
84.95147	1.1
85.02953	6.1
93.03426	1.1
95.97723	0.8
96.22112	0.6
96.96015	2.7
98.20688	0.7
101.02428	0.8
103.04005	1.1
105.03461	11.5
108.02229	1.1
114.70814	0.6
117.12782	0.7
117.70003	0.8
120.01241	0.6
121.02967	1.8
122.03744	2.0
123.04522	100.0
124.04841	2.5
133.02954	1.6
135.04520	2.5
137.06056	0.8
139.90825	0.7
149.02438	45.8
150.02762	1.8
152.01079	1.0
161.02422	5.1
165.05536	1.3
167.03487	23.6
168.03947	0.7
173.04543	1.5
179.03484	1.8
184.47597	0.6
191.01981	1.6
191.03596	1.5
191.05559	3.9
193.05099	1.6
209.04572	1.0
268.22934	0.7
353.08862	1.4
355.02341	0.7
371.09811	63.8
372.10114	6.2
415.08276	0.9
415.12613	5.7
416.12265	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55904	0.3
51.81251	0.3
51.93921	0.3
57.03450	7.2
61.98836	0.5
70.18803	0.7
71.01385	0.3
74.20290	0.2
81.03452	0.9
83.01386	3.1
85.02966	1.2
89.81222	0.3
97.02945	0.4
107.05023	0.8
108.02193	0.3
109.02944	0.5
109.06549	0.2
111.27589	0.3
119.05024	0.4
123.04560	0.4
124.07699	1.3
125.02451	100.0
126.02793	3.2
126.05605	7.5
127.05975	0.4
135.04520	0.3
137.02452	2.6
138.03194	0.3
139.03995	0.6
140.10814	2.3
149.02437	11.4
150.02821	0.4
151.04018	4.1
156.33360	0.3
161.04500	0.4
163.04022	0.8
164.04762	0.6
165.05556	0.3
166.08737	1.8
167.03496	1.2
179.03488	0.8
196.99037	0.3
208.09792	7.9
209.10130	0.5
236.47061	0.3
252.08737	5.8
253.09085	0.5
275.00983	0.4
287.07733	5.4
288.08167	0.4
307.32236	0.3
324.99155	0.3
377.20901	0.3
414.14066	7.9
415.08871	0.5
415.14523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05738	0.7
54.38600	0.8
59.01379	100.0
60.01725	1.2
69.46298	1.8
69.46719	4.0
69.97733	0.8
78.05138	0.9
88.38136	0.7
90.57823	0.7
90.74601	0.8
156.17781	0.8
199.43188	0.9
204.63324	1.0
253.64021	0.8
338.72537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33990	0.8
59.01380	100.0
60.01696	1.2
65.71138	0.7
70.62112	0.9
70.76991	2.4
76.31042	0.8
77.97792	0.8
89.26250	0.7
105.59274	0.9
108.02644	0.8
144.13239	0.9
191.78485	0.9
289.38931	0.9
362.04428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72608	0.9
53.40036	1.0
59.01382	100.0
61.98835	2.6
71.09122	1.4
71.09444	1.9
104.58420	1.0
198.14102	1.4
231.10162	1.3
240.96014	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84357	0.6
59.01176	0.6
59.01432	1.3
61.98902	7.6
65.00060	0.6
65.00379	1.4
75.93964	0.7
76.16606	0.5
82.98445	0.6
86.69412	0.6
107.01320	0.6
110.00204	2.8
116.92931	1.4
123.04592	1.7
133.02943	4.0
136.98814	1.3
137.99648	1.3
151.04100	2.0
164.98297	9.3
164.99629	0.6
165.99060	7.2
171.04620	1.3
173.02538	1.3
177.99158	1.0
183.04512	5.0
188.99368	0.7
199.04068	2.1
201.02007	0.7
215.03583	2.5
227.03502	4.5
243.02988	3.5
254.02263	1.0
255.00475	0.9
255.02936	5.3
257.04788	1.0
269.04483	0.7
271.02441	11.6
272.02957	1.2
292.87317	0.6
299.01968	40.5
300.02338	3.5
314.04321	84.8
315.04660	6.5
329.06650	100.0
330.07016	9.7
367.27411	0.6
414.03687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47575	0.3
55.01859	0.4
57.03455	0.4
59.01377	100.0
60.01713	1.0
61.98835	0.5
64.27256	0.2
65.06954	0.2
69.31493	0.5
69.31908	1.6
71.01382	2.9
73.02955	0.9
83.01402	0.5
85.02937	1.3
87.00850	0.2
89.02448	0.9
95.01386	0.3
99.00891	0.4
101.02434	2.0
102.98586	2.2
113.02458	1.2
117.03442	0.3
121.03036	0.3
145.11787	0.3
153.01982	0.4
161.04559	1.3
165.01959	0.3
190.33546	0.2
191.05623	0.3
195.03032	0.5
200.46112	0.3
204.35425	0.2
206.29944	0.3
245.75343	0.2
293.04572	1.3
293.10379	0.7
327.05212	0.4
371.20938	0.8
413.09268	1.2
413.14127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.9
61.98832	100.0
70.34837	0.3
72.35340	0.3
86.21117	0.4
87.94344	0.4
93.33990	0.4
115.27940	0.4
134.89499	0.4
149.06145	0.4
258.44138	0.5
276.06161	0.5
300.54980	0.4
331.19376	0.5
389.53787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42092	0.3
53.92483	0.3
55.01883	0.3
57.03453	0.7
59.01379	100.0
60.01715	1.1
61.98841	0.7
69.40448	1.0
69.40871	1.0
71.01372	2.8
71.05036	0.2
73.02962	1.4
83.01385	0.5
85.02949	6.1
87.23054	0.3
89.02470	0.4
98.20592	0.5
101.02441	2.2
103.04009	0.3
113.02450	1.4
121.02972	0.3
129.01932	0.6
135.04518	0.3
143.29507	0.3
147.02977	0.7
161.04568	1.2
191.01939	1.8
204.11588	0.3
209.15521	0.3
262.96509	0.3
371.20712	1.3
413.08942	0.9
429.95346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74526	0.5
54.69915	0.5
55.77031	0.6
59.01381	100.0
60.01723	1.0
61.98851	1.1
67.36655	0.6
68.54850	0.5
69.29630	4.0
71.01398	0.5
85.02950	1.3
104.82459	0.8
244.62718	0.6
274.03903	0.6
302.76984	0.7
350.73438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
57.03447	2.3
59.01377	100.0
60.01716	1.1
61.98838	0.7
69.57512	2.3
71.01376	3.0
73.02946	1.6
74.30118	0.3
75.00896	0.4
81.56571	0.3
83.01402	0.4
84.02208	0.5
85.02946	11.5
87.00909	0.5
89.02451	0.8
90.08012	0.4
93.67142	0.4
96.96017	0.4
99.00919	0.5
101.02464	2.1
103.04020	0.5
108.02202	1.3
113.02467	1.4
119.05045	0.4
121.02963	0.5
123.04553	0.5
124.01763	0.3
129.01968	1.0
130.28259	0.3
135.04570	0.4
147.02986	1.6
152.01161	1.0
159.02971	0.4
161.04538	1.6
165.06967	0.4
167.03473	3.1
169.90843	0.4
191.01971	3.0
221.11946	0.5
251.09392	0.4
371.20837	1.4
413.08786	1.0
413.13971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28249	0.4
56.16335	0.4
57.03445	1.6
59.01378	100.0
60.01712	1.3
61.98838	1.5
63.94744	0.4
69.60715	2.2
71.01385	5.7
73.02950	7.5
75.00875	0.9
75.39929	0.4
82.27726	0.4
83.01381	2.7
85.02946	6.8
87.00879	0.8
89.02444	1.7
95.05032	0.5
96.96035	0.6
98.19901	0.8
99.00921	0.8
101.02435	6.2
108.02175	0.7
111.00884	0.5
113.02473	1.9
119.03542	0.7
121.02940	1.0
121.06574	0.5
123.04543	1.4
124.07701	0.8
125.02419	1.1
129.01985	1.0
134.03741	8.7
135.04520	0.7
137.02380	0.6
137.06116	1.0
147.03017	0.9
149.06071	12.3
149.07243	0.7
150.06458	0.7
151.04073	0.8
152.01173	1.1
155.10811	1.8
161.04623	1.5
163.04039	0.8
165.05586	2.0
166.56744	0.5
167.03474	3.8
167.10799	0.5
168.06686	0.8
178.34752	0.5
179.03482	0.9
185.11812	9.9
186.07693	0.8
189.02060	0.5
191.02016	1.4
191.10814	1.7
193.05128	1.6
209.04590	3.4
225.25803	0.5
235.06116	2.1
235.13466	1.0
236.06946	1.1
239.05576	0.8
251.09351	1.8
251.12617	0.5
269.76474	0.4
283.29074	0.4
293.10294	3.8
294.10544	0.5
323.11456	1.1
371.17447	0.7
372.20667	0.7
413.10135	0.7
413.13925	1.0
413.18668	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	413.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.3
61.98836	19.8
70.17744	2.4
70.40152	9.3
75.77120	2.2
75.77600	2.5
88.64449	2.4
90.55194	2.3
93.03478	12.8
95.01402	7.4
108.02184	8.5
109.02934	3.5
110.00111	12.2
121.02959	5.3
123.00891	45.5
123.04517	5.8
125.02496	14.0
136.01671	4.2
137.02376	3.0
138.03181	2.5
141.54605	2.3
145.02927	12.3
145.06552	4.3
147.04474	3.4
149.02408	5.7
149.06075	10.5
151.04010	100.0
152.04361	7.4
158.03789	2.5
159.04459	5.9
160.01593	3.8
161.02443	10.6
163.07599	2.9
164.04736	6.1
164.23805	2.4
165.05589	3.3
169.75365	3.2
171.04578	5.4
172.05241	2.7
173.02449	16.6
173.06111	12.4
174.03172	5.9
174.06837	7.9
175.03952	5.5
176.01105	2.6
177.05580	11.6
178.05873	4.6
179.07098	8.5
185.06107	3.0
187.03970	3.1
188.04698	12.4
189.01939	7.2
189.05505	4.5
191.03494	7.5
191.07098	4.1
199.04094	2.9
200.04802	6.5
201.05540	17.6
202.02296	3.3
202.06342	38.2
203.03426	7.4
203.07039	3.2
204.04182	3.7
205.05066	5.5
213.38214	2.8
215.03580	4.0
215.07152	10.1
217.01501	11.7
217.05042	4.9
217.08632	16.4
219.06604	8.6
220.07318	6.9
223.18596	2.3
229.05049	22.3
230.05637	2.7
231.02914	3.0
231.06613	11.6
232.03665	4.2
233.08279	4.5
235.05980	2.6
239.07297	3.8
241.12419	4.6
246.05368	5.3
248.04808	3.1
251.07159	3.8
261.07642	22.1
263.05573	27.2
267.06610	3.5
278.08035	9.5
279.06808	3.7
293.08075	2.9
294.08923	3.3
299.09271	3.4
307.06100	10.2
308.06677	2.8
309.11353	5.6
310.11938	4.7
311.05728	3.3
322.08414	8.7
323.05511	4.4
326.11404	4.8
327.12387	3.9
337.10770	18.2
343.11298	5.8
344.11676	9.3
351.05121	5.0
351.12317	13.1
366.07333	4.6
367.11575	2.8
369.13348	4.5
381.09875	4.9
413.12378	22.6
413.18085	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	413.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.1
59.01376	33.2
61.98817	0.8
69.38157	4.1
71.01376	5.1
73.02940	2.9
73.84475	0.5
80.02625	0.6
83.01399	1.4
85.02945	17.9
87.00836	0.6
89.02448	1.6
93.03445	5.5
96.99338	0.5
98.19939	1.3
101.02437	4.2
103.03999	1.8
113.02456	1.9
117.03485	1.1
119.05021	21.3
120.05350	0.7
121.02937	1.7
123.04514	5.5
129.01921	1.3
131.05005	1.1
132.05798	1.2
143.05028	4.5
145.02968	2.2
145.06572	2.5
147.03004	2.2
159.15164	0.6
161.04576	1.1
163.04007	10.0
179.03488	1.5
179.82996	0.5
191.01965	6.0
191.05730	0.7
195.04536	1.4
209.06151	1.5
210.06712	0.9
211.07631	1.9
221.09631	0.8
222.06880	0.9
223.07657	1.7
224.08348	1.0
235.07690	1.1
237.09209	15.4
238.09683	1.4
239.10791	4.6
251.16557	0.9
263.53510	0.5
265.08771	2.8
283.09732	17.1
284.10068	1.1
286.50464	0.6
303.15823	0.8
327.08722	100.0
328.09085	9.9
369.15482	1.0
413.08777	1.3
413.21609	3.3
414.21710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.103
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26359	4.5
59.01380	26.4
61.98830	84.6
71.01374	19.8
71.53704	7.7
72.00909	8.8
72.63045	4.7
73.02938	14.3
78.95932	7.2
85.02937	10.3
87.00861	6.9
88.46894	4.4
88.98797	9.0
89.02449	12.6
93.03468	8.2
96.00896	10.9
96.96014	89.9
96.96959	12.6
98.02467	12.9
98.95560	12.8
101.02437	17.0
103.79238	4.9
109.02937	7.4
113.02393	7.4
117.05548	19.0
119.04966	10.2
125.02447	5.8
130.08704	18.8
135.04506	11.6
147.04514	28.7
149.02437	11.6
149.05933	4.7
150.03259	22.3
153.01938	4.6
163.03947	6.6
164.07169	100.0
165.05539	45.4
173.04558	4.8
189.05603	10.6
191.05568	8.6
195.06610	20.5
207.06676	5.6
207.08675	10.0
224.71725	5.1
242.99731	6.6
291.08536	4.6
315.07388	10.9
327.10941	18.4
353.14404	13.6
369.18893	9.3
413.04544	13.9
413.10703	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20762	0.3
52.17924	0.4
59.01381	2.8
61.98832	100.0
71.01380	0.5
71.54935	0.4
73.43197	0.3
73.65292	0.3
79.17670	0.4
145.02962	0.5
187.13475	0.6
213.28111	0.4
224.85785	0.3
270.46573	0.4
284.29794	0.3
349.18683	2.3
412.16821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
59.01370	6.0
61.98828	16.7
64.91964	0.8
71.01379	4.9
73.02935	1.6
78.95909	4.0
81.03467	1.0
81.58606	0.9
83.01390	1.9
85.02971	4.9
88.98806	1.9
89.02424	2.2
93.03481	1.0
95.01392	1.6
96.96014	45.6
96.96914	5.3
99.00853	1.3
101.02431	4.8
103.03993	1.6
108.02175	54.4
109.02974	19.6
110.98535	1.5
113.02452	2.2
114.93433	1.0
117.05561	1.1
119.03465	1.2
119.05043	1.2
121.02956	1.7
123.04507	2.3
125.02455	20.5
125.52545	0.8
126.05574	2.7
133.02979	1.0
135.04547	1.4
136.04082	2.4
137.02454	1.0
141.50655	0.9
149.02397	2.9
151.03947	2.8
152.01147	50.1
153.01942	22.8
154.02275	1.3
161.04535	1.1
163.04018	2.1
165.01923	2.5
165.05556	1.6
170.08096	1.0
175.69862	0.8
191.05624	2.5
195.02977	1.7
215.50662	0.9
238.33820	0.9
241.93961	0.9
251.11374	1.9
252.08638	2.0
287.07840	1.1
305.06738	0.9
309.12134	1.0
315.07205	100.0
316.07513	8.8
323.07651	1.6
350.14532	4.4
352.01917	1.0
353.01804	1.9
413.10950	3.4
413.16611	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	412.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.9
61.98829	100.0
69.42878	2.4
71.01402	0.6
85.02978	0.4
101.02461	0.6
149.02446	0.5
161.02406	0.3
164.04849	0.4
165.05592	0.9
223.06078	0.6
225.73709	0.3
229.93767	0.3
315.08093	0.5
352.20447	1.7
378.46533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33479	0.3
54.95085	0.3
58.02971	0.8
59.01373	1.5
61.98830	100.0
68.12472	0.3
71.01395	0.8
82.95405	0.5
85.47053	0.3
88.98826	0.3
89.02461	0.4
93.54014	0.3
119.05043	3.5
120.38514	0.3
135.04517	6.9
149.02498	0.5
176.01093	0.8
191.03540	0.9
206.08240	0.9
210.60046	0.4
223.06055	0.9
248.09184	0.4
250.10886	0.5
412.16083	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	412.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75769	0.4
57.03450	0.4
59.01383	3.0
61.98833	100.0
71.01386	1.0
71.54810	0.7
73.02934	0.6
78.55504	0.4
79.30185	0.4
82.95431	0.4
85.02955	2.5
88.90530	0.4
89.02465	0.6
93.90285	0.4
96.96036	0.8
105.15372	0.3
105.81403	0.4
120.87807	0.4
129.01999	0.9
130.08728	0.5
155.16881	0.3
163.04091	0.4
164.08501	0.8
165.02104	0.4
165.30125	0.4
191.05692	0.4
208.09778	0.7
224.06358	0.7
236.06792	0.5
381.90057	0.4
413.14993	1.6
413.23911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55790	0.2
55.01884	0.3
57.03442	0.3
59.01379	4.3
61.98834	2.1
69.25644	2.0
71.01382	4.2
73.02951	1.1
78.61189	0.2
83.01392	0.4
85.02954	2.7
89.02454	1.7
91.05560	0.3
93.03479	0.6
95.01395	0.3
97.02980	0.3
99.00905	0.3
101.02444	3.4
113.02460	1.7
118.40323	0.2
119.05032	100.0
119.49356	0.2
120.05370	4.4
125.44534	0.2
131.03589	0.3
135.04559	1.4
143.03531	0.4
144.38982	0.2
146.08224	0.5
158.33073	0.2
159.02948	0.3
161.04597	3.2
165.05611	0.4
176.01161	0.6
179.05663	0.2
180.06375	0.2
186.62073	0.2
191.03508	0.9
206.08267	0.3
209.04643	0.2
232.09778	0.4
235.11937	0.6
247.08188	1.0
248.11388	3.7
250.10855	1.3
292.10336	1.7
367.15915	1.6
412.16132	11.3
413.16302	1.6
421.02194	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69660	0.8
59.01377	100.0
64.37445	0.6
65.74628	0.6
71.17189	1.3
96.08759	0.7
108.24598	0.7
119.23827	0.7
140.31868	0.6
166.64171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89326	0.7
59.01381	100.0
60.01432	0.7
60.01708	1.7
69.46854	5.0
81.46745	0.8
219.13190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	1.9
67.01943	0.6
70.95106	1.5
71.01396	1.0
79.05492	0.8
81.03468	3.5
93.03430	1.2
93.07114	2.8
119.05035	1.2
122.03711	1.0
123.04528	33.3
124.04870	1.7
124.07660	4.4
124.72359	0.6
126.05616	93.2
127.05939	2.1
135.04553	3.7
136.05318	9.7
137.06091	14.0
138.06482	1.0
147.08083	0.6
149.06079	8.9
161.04565	2.5
163.07649	3.7
175.07626	4.7
188.10765	1.9
206.11865	100.0
207.12209	5.9
250.10864	27.6
250.13539	1.0
251.11145	2.2
285.09875	2.0
291.07681	0.7
412.16147	47.8
413.16537	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	411.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	1.5
68.99823	2.0
69.40125	2.2
71.01386	1.4
72.76169	0.3
83.01383	0.6
87.29261	0.3
93.03459	1.1
95.01385	1.4
107.01378	0.7
107.04984	0.5
108.02157	2.5
109.02952	10.8
111.00873	2.5
117.03475	0.9
119.05045	0.4
120.82504	0.3
121.02955	8.2
122.03756	10.6
123.00887	11.7
123.04552	2.6
124.01679	5.9
124.24091	0.3
133.02956	1.3
134.03754	2.0
135.04506	2.6
136.01663	31.6
136.05246	1.0
137.02449	27.5
138.03246	5.3
147.04517	1.7
149.02419	1.2
150.03183	1.3
151.04005	34.0
152.01212	0.5
152.04344	1.2
153.02014	1.7
154.02704	1.6
160.05281	0.9
161.02440	4.7
161.06058	1.7
162.03230	14.4
163.04007	35.7
164.04660	2.3
165.01970	0.9
168.04361	0.5
175.03996	9.4
176.04674	1.3
177.05568	15.7
178.05904	0.7
179.03499	15.6
180.04214	1.9
187.04054	0.4
189.05565	1.3
190.06358	1.5
193.05048	6.3
194.05745	0.8
203.07140	0.5
219.06712	0.4
239.03333	0.4
241.05020	1.5
256.07422	2.0
257.08234	0.4
265.31308	0.3
291.68079	0.4
297.07672	0.7
299.09369	0.4
311.09171	0.5
312.09860	0.5
324.09985	1.0
327.08749	1.6
342.11060	100.0
343.11487	10.2
379.60315	0.4
411.18109	47.8
412.18524	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1811
Annotation	Cedmiline
Peak:m/z	Relative Intensity
53.93952	0.3
65.25772	0.3
67.01877	2.1
68.99807	1.5
69.46004	1.3
69.46424	0.8
71.01363	0.9
72.42549	0.3
83.01369	0.4
91.05540	0.4
93.03434	1.1
95.01402	2.3
97.81933	0.3
107.01392	1.1
107.05034	0.6
108.02158	2.9
109.02949	12.1
110.03295	0.3
111.00891	3.0
117.03465	1.2
119.04975	0.3
121.02960	7.5
122.03738	11.1
123.00882	17.7
123.04550	3.5
124.01690	7.5
125.02478	0.4
133.02980	1.6
134.03731	2.0
135.04538	3.6
136.01660	28.9
136.05278	1.1
137.02446	32.4
138.03255	8.3
139.00328	0.7
145.02934	0.6
146.03703	0.8
147.04550	1.9
149.01390	0.3
149.02405	1.7
149.06061	0.8
150.03239	1.7
151.04002	34.4
152.01114	1.1
152.04372	1.1
153.01891	1.9
154.02718	1.8
159.04533	0.8
160.05309	0.9
161.02434	4.5
161.06094	2.8
162.03227	17.2
162.06831	0.7
163.04002	44.8
164.04716	3.7
165.01903	0.4
165.05547	0.5
168.04301	0.4
173.06126	0.3
174.03279	0.5
175.03996	8.8
176.04710	1.3
177.05557	17.6
178.05853	1.0
179.03496	13.2
179.06966	0.4
180.04237	1.7
187.03964	0.7
188.04742	0.7
189.05577	1.8
190.06316	1.7
193.05029	5.8
194.05667	0.6
203.07124	0.6
213.05508	0.6
219.06624	0.6
230.25119	0.3
241.05078	1.5
256.07446	1.6
267.06723	0.5
281.08051	0.4
297.07660	0.7
311.09131	0.7
312.10138	1.7
324.09973	0.7
327.08798	1.7
341.10211	0.5
342.11050	100.0
343.11441	9.2
403.26907	0.3
411.18100	51.3
412.18484	6.1
438.52393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03903	0.4
59.01379	41.5
59.90125	0.4
61.98830	1.0
70.49079	0.4
71.01382	8.3
71.55130	0.8
72.99303	0.9
73.02910	1.0
73.61238	0.4
83.01400	0.5
83.05059	0.5
85.02435	0.4
85.02958	1.6
87.00889	0.8
89.02449	10.3
89.78450	0.4
93.03458	7.5
95.01394	0.5
97.06587	0.9
99.00898	0.5
99.04543	1.1
101.02450	5.6
101.06079	0.9
113.02435	3.4
113.99387	0.6
118.98067	0.7
119.03488	3.8
119.04913	0.5
121.06605	9.1
123.63346	0.4
125.02373	0.6
134.03743	9.2
135.04488	0.7
142.35516	0.5
143.03477	1.6
149.04526	0.5
151.03996	0.8
161.04524	2.9
161.13359	0.6
165.05566	100.0
166.05905	5.4
179.05600	4.4
187.11212	0.7
201.90584	0.5
205.12367	1.7
213.14999	1.1
223.13419	2.4
231.10269	0.7
249.11229	1.0
249.14998	1.2
267.12402	1.0
314.10132	3.7
334.31583	0.5
375.20090	0.7
411.15729	2.1
411.20529	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	411.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16626	0.3
59.01107	0.6
59.01381	6.4
61.21365	0.3
61.98834	3.5
71.01385	2.1
72.99304	0.4
73.02956	0.4
75.07526	0.3
79.95734	6.6
80.96516	1.3
82.46028	0.3
83.01378	0.4
85.02954	1.5
89.02431	1.0
90.01337	0.3
93.03437	0.3
95.95232	1.8
96.96009	77.7
99.00891	0.5
101.02432	1.9
102.98644	0.3
109.59241	0.3
113.02431	0.8
119.03512	0.3
119.05019	1.0
120.89034	0.3
122.97566	0.5
129.01898	0.6
135.26093	0.3
138.97066	0.9
148.02463	0.3
149.06111	0.3
150.97055	1.3
152.98650	1.3
161.04559	0.3
163.04025	0.8
177.04117	1.5
177.05482	0.5
180.98125	1.9
187.07758	0.3
191.05566	0.5
224.25977	0.4
231.10313	1.4
234.88988	0.3
241.00221	4.1
256.99744	8.3
258.00085	0.3
411.13251	100.0
412.13544	9.9
436.89835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.4
61.89250	0.3
61.98835	2.7
63.12449	0.3
65.52088	0.3
65.90586	0.3
69.24586	1.8
69.25010	1.1
71.01385	0.9
73.02944	0.6
85.02961	0.4
87.19595	0.3
89.02441	1.1
93.03428	0.4
96.96005	0.6
101.02449	0.4
101.06078	0.9
106.43327	0.3
111.00975	0.4
113.02410	0.5
119.05024	100.0
120.05352	4.1
139.07677	0.3
144.87447	0.3
151.00372	0.3
163.04004	87.0
164.04338	4.9
202.33737	0.3
300.03082	0.3
307.08203	1.1
334.82083	0.4
411.12170	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	411.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99390	17.7
59.01384	57.4
66.04398	18.7
70.38306	60.2
71.01385	40.9
82.41461	21.8
89.02446	58.4
119.03484	23.2
124.52437	22.5
138.29639	18.7
141.32903	21.2
145.02910	23.9
150.03226	60.0
161.02295	24.7
162.03241	30.4
165.05553	88.2
179.05579	54.2
195.06621	72.8
249.57898	22.6
327.10867	69.1
357.11761	82.7
375.12750	26.9
380.42859	22.9
406.68298	25.2
411.10577	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	411.1268
Annotation	t(6)a
Peak:m/z	Relative Intensity
59.01374	4.7
61.98836	5.1
69.68607	2.8
69.69022	1.6
71.01389	1.6
72.00909	30.8
73.02940	1.4
74.02473	13.9
85.02937	1.2
96.96008	1.0
98.20557	1.0
100.00409	37.0
100.04024	3.6
101.00788	1.0
101.02444	1.8
103.04056	1.3
113.02462	1.4
114.01989	0.9
118.05109	100.0
119.04968	1.0
119.05502	1.0
121.02971	0.8
134.04745	0.8
135.04523	10.5
144.03027	36.7
145.03314	1.2
160.02667	5.8
160.66628	0.7
161.04547	0.7
163.04025	2.4
191.05615	1.9
231.83051	0.8
250.07181	4.1
258.61328	0.7
279.14474	1.0
284.90927	0.7
411.13116	2.9
411.18542	1.0
412.12708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37909	1.0
59.01382	1.9
61.98829	5.5
69.75179	3.4
69.75590	2.4
98.20625	1.4
103.58736	1.0
104.29786	1.2
110.00086	2.4
123.04484	1.9
133.02922	3.8
136.98756	1.6
137.99594	1.5
146.60368	1.2
155.04990	1.9
164.98248	7.5
165.99107	6.7
173.02402	1.2
175.30005	1.1
183.04431	1.7
199.03990	3.8
215.03369	3.5
227.03473	4.9
243.02931	5.2
255.02922	3.2
269.04507	2.8
271.02475	63.8
272.02768	4.4
284.03204	2.0
289.03488	2.0
299.02008	49.3
299.05252	1.8
300.02185	4.6
314.00693	2.6
314.04333	52.6
315.04587	5.5
329.06647	100.0
330.07077	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	410.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	92.2
61.98829	5.4
65.44411	1.4
69.55964	11.1
79.83054	1.8
79.95738	1.7
84.04546	3.5
86.01424	1.6
90.05579	3.4
98.19883	3.5
99.09143	1.6
104.84924	2.1
116.03500	2.0
162.39523	1.8
164.76155	1.6
176.57867	1.6
259.20663	6.0
277.21628	8.7
302.24875	16.0
318.24405	13.2
350.26999	100.0
351.27405	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20196	0.7
58.63548	0.6
65.00335	1.5
71.08621	0.8
71.08936	1.0
74.79317	0.6
78.99013	0.7
110.00097	2.9
114.05619	1.2
123.04522	2.0
133.02980	4.5
137.99564	1.5
141.42931	0.7
145.42661	0.6
158.19801	0.6
164.98282	9.4
165.99069	8.5
168.89944	0.7
171.04497	1.2
172.88246	0.7
173.02429	1.5
177.99100	1.4
183.04529	4.3
199.03973	1.7
201.01891	0.8
205.98592	0.7
207.39458	0.7
215.03539	2.0
227.03514	4.1
243.02963	2.5
255.02998	4.6
257.04529	0.7
269.04630	0.8
271.02469	12.2
272.02826	1.0
299.01978	41.4
300.02347	3.7
314.04324	81.0
315.04678	6.9
329.06656	100.0
330.06982	7.8
353.01361	0.8
357.81134	0.7
378.31665	0.7
396.03168	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
59.01383	6.0
60.01715	1.0
60.99314	0.6
61.98833	100.0
71.01379	1.9
71.54381	0.4
72.01750	0.5
73.02943	0.6
73.48868	0.3
85.02955	1.5
88.98815	3.4
89.02445	1.8
94.80911	0.3
96.96001	0.6
101.02461	1.3
106.48216	0.3
111.00877	0.4
113.02460	0.7
115.92095	0.3
119.03510	0.6
119.04980	0.3
123.04553	0.3
125.02470	0.4
125.11596	0.3
131.03513	0.3
134.03719	0.6
135.04558	0.5
136.04904	0.4
149.04585	1.2
150.04930	0.7
161.02498	0.4
161.04570	0.4
163.04024	0.5
167.03543	0.5
204.15326	0.3
291.05075	0.6
296.69522	0.3
303.49652	0.3
312.08209	0.6
320.18045	0.4
350.19037	3.1
411.09488	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.4
61.98828	100.0
69.69432	0.7
69.69845	0.3
71.01391	0.4
72.99287	0.2
79.06397	0.2
79.95750	0.4
83.01402	0.2
85.02962	0.5
96.96004	6.7
102.98508	0.2
113.02412	0.2
119.05056	0.4
122.98924	0.2
123.04538	0.3
125.02465	0.2
134.03749	0.3
149.02434	0.3
163.04010	0.6
175.04103	0.4
175.06090	0.3
177.04016	0.2
180.98083	0.2
185.11809	0.2
193.05038	0.4
233.15463	0.2
241.00226	0.3
256.99762	0.6
411.13190	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	410.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27066	0.8
59.01387	1.7
61.98830	100.0
72.41893	0.7
75.00855	0.8
79.10239	0.8
94.15225	0.7
94.36242	0.6
98.20697	1.2
99.92594	1.8
116.92852	2.0
117.92857	0.8
121.02926	1.2
136.01682	1.8
137.83951	0.8
151.04013	1.5
163.04048	0.8
248.53923	0.8
272.04471	1.4
342.11130	2.5
410.20486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.8
61.98832	100.0
63.18459	0.3
69.04153	0.3
71.01375	1.6
71.54962	0.5
73.02940	0.4
79.95766	0.4
85.02961	1.7
89.02425	1.5
93.03471	0.6
96.96021	5.2
100.17140	0.3
101.02459	1.2
110.50259	0.3
113.02468	0.8
117.03479	0.8
119.03590	0.4
119.05020	5.6
123.04513	0.4
130.08778	0.4
133.06621	1.3
134.03743	0.3
143.03497	0.4
145.02950	5.5
145.03990	0.4
161.04750	0.5
161.06070	2.7
163.04008	7.0
164.08403	0.8
167.03555	0.4
177.05518	1.5
179.03564	0.4
187.11230	0.3
191.05640	0.6
203.01907	0.4
205.05058	3.2
221.06728	0.3
223.06178	0.4
235.06091	1.8
241.00317	0.4
256.99753	0.4
265.07068	2.8
265.08966	0.4
292.15683	1.0
325.09363	0.4
347.17056	3.7
348.17496	0.3
351.20102	0.3
409.98587	0.3
410.11847	1.9
411.12836	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	410.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31110	0.4
52.91454	0.5
59.01375	4.1
61.98829	100.0
70.55323	1.2
71.01385	1.4
71.77405	0.5
77.21109	0.4
85.02953	0.5
89.02449	1.0
101.02532	0.5
119.03525	0.6
182.24811	0.4
187.07826	0.5
188.79364	0.4
201.05629	0.7
203.06882	0.6
230.09402	1.1
233.11610	1.3
329.23608	0.6
351.21786	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05037	0.3
58.18587	0.4
59.01380	9.0
60.01687	0.4
61.98830	100.0
69.46169	0.3
71.01380	2.4
71.55389	0.5
71.55740	0.6
73.02946	0.6
85.02969	1.4
87.00899	0.6
89.02457	0.8
96.96018	1.5
99.04435	0.4
101.02467	1.0
113.02457	0.7
117.03477	0.4
119.05013	3.9
135.04546	0.6
145.02992	0.7
149.02475	0.4
153.63745	0.4
161.04584	0.9
163.03996	4.3
171.77773	0.4
171.85715	0.4
172.46793	0.4
175.09779	1.6
204.59019	0.4
244.17076	0.6
291.14526	2.7
319.14154	0.5
345.61755	0.4
350.16180	1.8
351.16275	0.4
368.17014	0.4
410.12173	0.6
410.18253	0.7
411.12445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.3
67.01887	1.5
67.71389	0.6
71.53987	1.0
74.50201	0.6
78.95878	0.8
119.27434	0.7
121.02969	0.9
135.17603	0.6
136.01698	0.9
152.99559	1.2
156.68092	0.5
179.03484	1.2
183.13899	18.0
184.14288	1.0
189.05609	1.1
195.13896	22.7
196.14276	2.1
211.13438	0.6
213.14946	100.0
214.15288	6.9
242.08235	0.6
268.06815	0.8
297.14474	0.6
303.34561	0.7
341.10175	1.4
347.84952	0.7
409.24200	0.8
409.29596	12.4
410.30096	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	409.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39250	0.3
59.01375	2.4
61.98812	0.5
67.01888	1.5
70.08956	0.6
70.09380	0.9
70.43143	0.3
71.01378	1.6
73.02947	3.5
73.74915	0.3
78.95903	0.6
82.06316	0.3
90.03844	0.3
96.96009	0.4
98.19962	0.3
103.04018	0.7
121.02946	1.0
131.03499	4.3
138.14973	0.3
152.99626	0.8
189.05522	0.7
221.54776	0.3
229.54411	0.3
241.21805	0.4
257.12772	0.3
273.92252	0.3
277.21698	100.0
278.22040	8.8
280.90109	0.3
309.17413	0.4
313.38318	0.3
409.25986	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.236
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
50.40074	0.6
51.32930	0.6
52.14870	0.5
59.01357	0.9
61.05006	0.7
61.98810	1.3
69.94220	2.3
78.95903	64.4
96.96956	4.4
105.97208	0.6
124.20354	0.7
141.64433	0.7
150.98001	1.4
152.99585	100.0
153.99951	1.7
159.73767	0.6
163.11285	1.3
163.33908	0.7
171.00652	2.9
255.23254	2.4
299.38934	0.7
409.23456	16.9
410.24023	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62970	2.0
59.01362	2.4
61.85724	1.9
61.98832	5.1
65.05126	2.2
67.83627	2.1
71.54659	4.1
78.95902	72.6
81.65519	2.3
96.96987	5.3
99.80168	2.2
125.20641	2.1
152.99583	97.6
153.99921	3.0
158.24991	2.3
167.97499	2.3
174.26103	2.2
192.11726	2.3
217.38467	2.5
250.24147	2.2
277.21704	100.0
278.22079	7.3
325.18353	4.9
382.43478	2.6
409.23715	17.2
409.28778	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62328	1.0
55.01867	1.6
55.61977	1.0
55.65830	0.9
57.03449	2.3
58.00596	1.7
59.01380	100.0
61.98836	9.3
70.92493	2.3
70.92834	1.3
71.01381	31.6
72.99307	2.0
73.02951	6.0
83.01395	2.7
85.02951	16.6
86.03294	2.2
87.00876	2.1
87.03399	1.0
89.02445	23.8
93.03465	1.3
95.01385	3.1
96.95998	1.1
99.00881	2.2
101.02444	27.8
111.00896	1.6
113.02448	14.1
119.03513	9.3
119.05037	10.1
125.02418	1.0
129.01938	1.4
131.02438	1.5
131.03441	1.5
141.12846	3.1
143.03474	3.0
145.50188	0.9
159.02924	1.6
161.04556	16.4
163.04001	10.1
179.05620	5.9
183.89249	0.9
187.13383	77.2
188.13744	3.6
191.05550	1.3
201.14928	1.8
263.14960	4.2
296.35873	1.2
349.18640	37.0
350.18961	3.9
365.16061	1.1
373.15054	2.7
409.15668	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.6
57.03452	3.5
58.00581	1.4
58.91099	0.4
59.01379	33.6
60.01704	0.5
61.98814	1.4
63.54313	0.4
64.19848	0.4
69.03445	1.5
70.48467	0.8
71.01379	47.6
72.01717	0.8
72.99298	1.8
73.02946	26.7
74.03302	0.6
75.00862	1.4
81.03485	0.6
83.01382	12.6
83.40252	0.4
85.02947	26.6
86.00087	1.7
87.00876	3.4
89.01928	0.8
89.02443	9.6
90.84368	0.4
93.03454	1.6
95.01386	4.0
96.95949	0.5
97.02972	2.5
99.00878	10.4
99.04469	0.5
99.70129	0.4
101.02438	50.0
102.02769	1.3
105.03454	0.5
111.00907	2.5
113.02444	19.5
113.09722	0.9
114.02760	0.5
115.04010	1.3
115.11348	0.8
119.03497	1.4
125.02437	3.2
127.03915	0.5
129.01938	1.6
131.03506	2.8
133.02950	1.0
134.03702	0.9
135.04533	0.9
143.03511	2.6
149.04506	2.5
159.02980	4.4
159.95221	0.4
161.04550	16.2
161.05896	0.9
162.04898	0.9
169.77301	0.4
173.04483	2.0
177.01918	5.3
185.11827	0.9
191.05615	5.6
203.10654	0.5
205.03577	0.5
229.08760	0.5
233.06671	2.2
275.09299	0.7
276.09662	0.6
277.10318	2.0
277.16541	78.2
278.16827	5.4
293.08847	1.0
321.15549	0.6
409.20749	100.0
410.21127	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	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01708	2.4
61.98839	6.6
71.01385	23.4
73.02952	3.1
78.91866	2.5
83.01347	1.2
85.02942	6.7
87.00874	2.9
89.02444	26.9
93.03460	4.5
95.01392	1.6
99.00851	1.8
101.02433	16.8
101.06054	2.4
106.66802	1.2
113.02456	13.0
119.03497	11.4
125.02432	1.1
131.03464	1.6
134.03723	6.1
139.03949	1.1
143.03514	2.7
149.04549	1.6
155.03485	2.1
155.69005	1.3
160.01651	1.8
161.04590	10.1
173.04547	7.6
175.04015	2.1
179.05588	7.9
187.13347	2.0
189.40729	1.0
191.05582	3.9
193.05032	4.3
193.96452	1.1
233.06584	7.6
235.56424	1.2
311.68817	1.5
331.17661	2.7
349.09235	3.9
349.18655	50.4
350.18994	3.4
374.20602	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
61.98832	0.9
67.01891	100.0
68.02215	1.6
71.54379	0.8
75.60706	0.6
78.95904	6.5
79.23486	0.5
93.03459	2.0
96.96995	0.7
109.02923	0.7
115.05535	0.6
121.02959	33.0
122.03265	0.7
127.05143	2.4
133.06581	0.6
143.05000	1.2
145.06302	2.0
147.04478	1.0
152.99583	12.2
153.00816	0.8
159.04535	0.7
161.06105	2.3
171.00642	0.8
171.04523	1.9
172.05260	0.6
173.02478	0.7
174.03259	1.2
183.01236	0.6
187.03998	1.3
188.04800	2.1
189.05569	88.0
190.05937	3.6
241.21741	3.4
269.72440	0.5
310.08447	2.0
321.14413	0.6
325.18478	1.8
347.30646	0.8
409.23636	2.0
409.30771	4.5
410.31146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.2
61.98826	1.2
66.42844	0.8
67.01890	100.0
68.02234	2.3
69.46711	5.0
76.85526	0.6
78.95917	0.9
81.06152	0.8
93.03466	2.9
121.02957	34.6
122.03348	1.0
143.05034	1.3
145.01482	1.1
147.04521	1.0
152.99615	1.4
161.06107	2.1
171.04538	1.6
172.05304	0.9
174.03142	1.3
187.04054	2.6
188.04823	1.6
189.05562	88.9
190.05884	6.0
277.21674	7.6
278.22089	1.1
295.35596	0.7
310.08432	1.6
358.79944	0.8
419.38519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00030	0.3
59.01369	0.7
61.98845	0.4
67.01884	0.5
69.03457	1.1
70.76021	0.8
84.02177	0.5
91.05550	0.6
93.03460	8.5
94.03837	0.5
107.05022	1.1
109.02955	0.6
121.02953	74.1
122.03283	1.7
122.03789	1.1
123.04520	0.9
123.42800	0.3
135.04527	9.9
136.01675	0.8
137.02452	1.3
138.38326	0.4
145.02953	0.4
147.04498	1.9
149.02464	0.6
154.02696	0.6
159.04477	0.8
163.04004	5.5
164.04785	2.2
172.95462	0.3
173.06004	0.4
175.04016	1.0
176.04799	3.2
189.05571	0.6
293.08282	0.5
311.09354	0.4
340.09491	100.0
341.10107	25.9
342.10678	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	409.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94165	0.4
59.01368	0.9
61.86995	0.5
61.98827	14.5
67.01888	100.0
68.02219	2.2
75.98426	0.4
85.07490	0.4
88.21765	0.6
93.03467	2.5
99.92580	1.5
104.58550	0.5
109.02925	0.7
111.37978	0.5
115.92088	1.5
116.92852	2.6
121.02953	36.8
122.03294	0.9
133.06580	0.7
136.01604	0.5
143.05078	0.6
145.02962	0.8
147.04498	1.0
161.06073	2.9
171.04503	1.8
173.02390	0.8
174.03183	1.2
187.04010	2.3
188.04759	2.0
189.05563	91.3
190.05881	4.7
218.74394	0.5
293.07993	0.6
295.06158	0.6
310.08481	2.7
357.72845	0.5
379.15350	0.9
425.75650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24809	0.5
55.45371	0.4
59.01384	1.6
61.98825	1.0
65.14977	0.5
69.03447	1.4
71.44587	0.9
93.03455	8.1
99.92589	0.6
107.05046	0.8
121.02957	57.8
122.03248	1.1
122.03797	0.8
123.04533	1.0
135.04529	5.5
136.01656	0.8
137.02400	2.8
142.56471	0.6
146.03802	0.7
146.09740	0.5
147.04501	1.6
149.02382	0.8
159.04521	0.9
160.05283	0.7
161.06090	0.8
163.04002	5.0
164.04712	1.7
174.48839	0.5
175.04088	0.7
176.04846	2.9
189.05621	0.8
211.24478	0.6
234.49669	0.6
340.09506	100.0
341.10126	26.7
342.10709	2.1
365.12924	0.5
376.74652	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.3
60.68729	0.4
62.10857	0.3
69.53033	2.8
73.02922	0.4
89.02422	0.6
90.06676	0.4
93.03465	0.7
98.20564	0.9
119.05022	100.0
120.05363	3.8
124.84657	0.4
134.03726	0.6
135.04477	0.9
148.05354	0.5
149.03535	0.4
149.04504	2.1
163.04001	77.3
164.04346	2.8
205.04994	0.5
226.77628	0.3
277.09897	1.3
297.10800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.3
60.68729	0.4
62.10857	0.3
69.53033	2.8
73.02922	0.4
89.02422	0.6
90.06676	0.4
93.03465	0.7
98.20564	0.9
119.05022	100.0
120.05363	3.8
124.84657	0.4
134.03726	0.6
135.04477	0.9
148.05354	0.5
149.03535	0.4
149.04504	2.1
163.04001	77.3
164.04346	2.8
205.04994	0.5
226.77628	0.3
277.09897	1.3
297.10800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23161	0.8
54.26173	0.8
59.01371	2.1
61.98835	5.8
67.01891	100.0
68.02223	1.2
68.23626	1.0
70.81078	2.1
77.73907	1.0
79.95738	1.7
93.03429	1.9
115.92121	1.2
116.92866	1.3
121.02960	31.1
126.28931	1.0
143.05040	1.2
145.02870	0.9
147.04474	1.5
153.48181	0.9
161.05971	2.1
161.54710	1.0
171.04512	1.0
173.02330	1.3
187.03970	1.9
188.04782	2.4
189.05566	90.9
190.05916	4.1
198.30389	1.0
221.08630	1.2
310.08368	1.9
379.16934	1.1
398.68515	1.1
409.17160	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	409.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24979	1.0
52.51959	0.9
59.01379	100.0
61.98828	3.1
67.01885	1.7
70.91148	2.2
71.01377	3.4
81.03454	2.0
83.05015	2.0
85.02943	3.4
87.00869	3.6
93.02870	1.4
93.03458	29.2
106.05608	1.1
109.02943	1.7
111.04520	9.4
117.03474	1.6
127.03986	2.6
132.02159	4.0
133.02982	6.8
134.03738	48.4
135.04579	9.2
137.02435	12.8
142.16365	1.0
149.06061	9.3
155.03522	10.2
160.01657	23.1
161.02353	3.0
163.03992	6.1
173.04543	76.9
174.04857	2.9
175.03983	31.3
175.05513	1.5
176.04454	1.3
177.01804	1.2
178.02707	1.7
179.03456	1.3
191.01741	3.0
191.05608	30.5
192.05959	2.3
193.05049	36.0
194.05275	2.2
209.02754	30.6
210.03072	1.7
215.05537	2.8
217.05083	1.6
233.06644	82.2
234.06973	3.2
248.00168	1.4
253.01700	4.8
334.06976	3.0
349.09229	61.0
350.09555	3.7
409.05850	10.1
409.11310	3.9
410.06845	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
59.01378	100.0
60.01712	1.2
61.98825	6.4
67.01889	2.6
69.03459	1.2
71.01378	3.8
73.02971	1.1
76.31514	0.6
81.03456	1.5
83.05025	1.2
85.02942	3.1
87.00872	3.3
89.02435	1.1
93.03460	40.1
94.03814	1.0
96.96008	2.6
101.02427	0.9
109.02946	1.7
111.00902	1.4
111.04532	5.5
113.02501	0.7
117.03472	1.9
119.05055	1.0
127.04032	2.0
132.02182	2.2
133.02945	2.9
134.03743	30.4
135.04497	1.0
137.02446	24.6
138.02808	0.9
149.06079	4.6
153.01918	0.7
155.03516	10.6
160.01640	14.2
161.02292	1.0
173.04547	81.2
174.04897	2.9
175.03989	13.7
176.04434	1.2
178.02621	1.2
179.03455	0.8
180.19174	0.7
187.03987	1.8
191.05605	27.2
191.07111	1.5
192.05984	1.4
193.05042	19.7
194.05396	0.9
202.06340	2.9
217.04900	1.0
229.08707	1.4
233.06647	96.4
234.07040	5.6
235.06134	1.0
317.15991	0.8
335.17126	1.2
349.09271	29.7
350.09650	2.3
367.10333	1.0
371.28906	0.8
409.11194	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	408.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51272	0.3
59.01380	10.9
60.01710	1.1
61.98831	100.0
69.27529	2.2
71.01394	1.1
73.02945	0.7
74.14571	0.3
83.01400	0.3
83.28710	0.2
85.02960	0.7
89.02463	0.4
93.03465	0.4
96.96008	0.6
99.00850	0.3
101.02456	0.8
102.02803	0.3
113.02470	0.4
134.03761	0.6
149.02499	0.3
161.04524	0.3
162.04971	0.4
173.04587	0.7
181.93195	0.3
206.79034	0.3
233.06706	0.9
248.83054	0.3
347.17270	0.5
348.17484	2.5
349.18372	0.8
401.33768	0.3
405.07886	0.3
408.19336	0.6
409.11697	0.6
432.42023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.3
61.98826	1.6
63.50620	0.4
67.37396	0.4
70.64941	0.9
71.01376	2.0
72.26511	0.3
72.99281	0.4
73.02953	0.6
75.00874	0.4
79.95728	3.2
80.96513	2.9
85.02945	0.8
87.00877	0.8
89.02465	0.4
96.96008	100.0
99.00906	0.4
101.02426	1.2
108.02155	1.4
113.02432	0.6
122.97577	0.8
123.04526	0.4
125.02444	0.4
138.97061	9.9
143.03500	0.6
145.07205	0.3
145.10286	0.4
150.97057	1.3
152.01158	2.7
164.98615	1.3
167.03506	3.0
168.98135	0.5
180.98102	1.0
209.04485	0.4
222.99136	1.4
241.00223	45.5
242.00568	2.0
243.36046	0.4
332.10822	0.4
343.89828	0.3
380.87683	0.3
409.04443	36.9
410.04794	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	408.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51272	0.3
59.01380	10.9
60.01710	1.1
61.98831	100.0
69.27529	2.2
71.01394	1.1
73.02945	0.7
74.14571	0.3
83.01400	0.3
83.28710	0.2
85.02960	0.7
89.02463	0.4
93.03465	0.4
96.96008	0.6
99.00850	0.3
101.02456	0.8
102.02803	0.3
113.02470	0.4
134.03761	0.6
149.02499	0.3
161.04524	0.3
162.04971	0.4
173.04587	0.7
181.93195	0.3
206.79034	0.3
233.06706	0.9
248.83054	0.3
347.17270	0.5
348.17484	2.5
349.18372	0.8
401.33768	0.3
405.07886	0.3
408.19336	0.6
409.11697	0.6
432.42023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31682	0.3
58.72940	0.4
59.01384	3.0
61.98832	100.0
63.42556	0.3
66.41441	0.4
71.55762	0.4
74.72272	0.3
77.36264	0.3
85.02972	1.6
96.96016	0.7
103.85983	0.4
121.02943	0.8
134.03787	1.0
149.02446	3.1
149.04538	0.6
156.53435	0.4
164.04808	2.6
178.02740	0.5
190.02711	0.7
205.05061	0.7
223.06122	2.8
276.09641	0.9
375.53967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91433	0.4
51.72871	0.4
53.44654	0.4
58.42186	0.4
59.01384	26.8
60.01723	1.9
61.01828	0.6
61.98834	100.0
69.17032	3.5
69.17437	1.3
71.01385	5.5
71.41058	0.4
72.20641	0.4
73.02953	1.2
85.02968	2.1
89.02449	4.8
101.02452	4.7
113.02480	1.8
119.03532	2.0
133.70271	0.5
143.03497	0.6
149.04543	1.0
157.33707	0.5
161.04590	3.2
162.04910	0.5
164.23376	0.5
179.05617	0.8
184.10667	0.7
187.54514	0.5
263.93610	0.5
311.07840	0.6
348.17450	1.4
349.18665	5.1
365.18118	0.5
366.18564	1.4
408.19403	0.7
409.21265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98819	0.4
66.77898	0.2
69.35488	0.3
70.53645	0.4
70.53976	0.5
78.95905	72.8
95.15217	0.3
96.96961	5.7
107.18252	0.2
108.59261	0.2
111.39061	0.3
123.54322	0.3
150.98032	1.6
152.99586	100.0
153.99918	1.7
171.00638	2.7
239.20139	1.4
253.21762	2.3
268.83472	0.3
407.22028	17.8
408.22455	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	407.2202
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
50.72533	0.8
52.76512	0.9
59.01368	1.9
61.98828	1.4
68.99567	1.5
69.62609	3.5
78.95902	100.0
91.55479	0.8
96.96978	9.3
104.39410	1.0
106.38291	0.8
112.98578	2.1
133.51344	0.8
147.70529	0.9
150.97987	1.5
152.99582	87.6
153.99930	2.4
171.00635	77.2
172.00897	1.1
191.46985	0.9
275.09067	1.8
325.18338	2.6
407.21970	4.9
434.03091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2204
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.75554	0.2
56.63449	0.2
59.01366	0.7
61.98831	6.7
62.96404	0.4
68.68380	0.2
69.74889	0.7
69.75298	0.6
78.95906	55.0
80.97173	0.2
81.46120	0.2
88.25970	0.2
96.96960	6.6
98.20630	0.5
104.00208	0.2
145.06177	0.4
150.98026	1.5
152.99585	100.0
153.99905	1.5
171.00638	3.8
239.20076	1.4
248.61174	0.2
253.21754	1.6
407.22055	9.1
408.22513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
57.03451	1.2
58.00582	1.3
59.01379	100.0
61.98818	4.6
71.01382	31.2
71.30389	2.5
72.99301	1.9
73.02935	8.7
83.01396	4.9
85.02943	13.0
86.86531	1.1
87.00882	2.4
89.02444	11.7
95.01385	2.4
96.96000	3.9
99.00870	3.2
101.02443	25.0
101.03097	1.4
112.03883	1.0
113.02458	12.1
119.03485	4.1
125.02401	1.7
129.01854	1.2
137.45515	1.0
143.03508	2.2
144.04538	10.5
157.30031	0.9
159.02969	2.9
161.03267	1.6
161.04544	24.3
179.05632	1.3
185.11855	2.4
202.11118	3.8
203.11824	3.6
219.00163	1.0
251.59947	1.0
255.02881	1.0
261.83902	1.0
347.17087	86.7
348.17502	8.6
407.07056	2.1
407.18436	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	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
58.00592	1.3
58.02968	1.1
59.01379	100.0
60.01702	1.1
61.01843	0.7
61.98840	4.9
65.25959	0.6
67.01829	0.7
69.16578	7.5
71.01380	22.0
72.99327	1.2
73.02945	5.2
74.02493	2.7
75.00896	0.7
83.01393	1.6
85.02946	8.4
85.77281	0.7
86.02514	1.1
88.78999	0.8
89.02441	19.3
93.03471	0.8
95.01412	3.0
97.06609	1.0
98.19835	1.7
99.00902	2.0
99.05639	2.5
101.02445	16.4
101.07233	1.0
113.02452	10.8
115.07647	3.8
119.03484	7.0
119.05005	1.1
125.02480	0.9
128.03516	5.3
129.03923	1.0
131.03525	0.9
133.06918	1.0
134.03693	0.8
136.01689	1.0
143.03552	1.6
143.04596	8.6
144.05000	2.2
145.07016	0.8
149.04669	0.8
150.03246	1.2
151.04019	1.6
153.06725	1.3
159.03021	1.2
161.02423	0.8
161.04556	13.4
163.04016	2.2
165.05609	1.3
167.10771	1.0
179.05667	5.7
180.04907	1.0
185.11823	3.9
191.05618	2.7
227.03587	0.9
245.17621	2.5
254.07867	1.8
255.02989	3.7
255.08167	3.3
256.03796	2.1
257.12988	1.7
272.09042	3.2
273.09143	3.6
285.04187	1.0
287.14127	1.7
308.07516	1.0
331.13055	3.0
347.17081	13.5
348.17401	2.6
389.15787	1.6
407.08057	8.7
407.16919	4.0
407.23599	1.0
408.08084	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00402	0.6
55.74520	0.6
56.12323	0.6
58.04258	0.6
59.01378	68.5
60.01700	0.6
61.98822	2.3
63.54599	0.6
66.11750	0.6
70.22900	2.6
71.01373	5.7
73.02943	1.9
75.00867	0.9
84.18314	0.6
85.02946	3.1
87.04516	0.8
89.02441	7.5
95.01408	0.6
96.96042	0.8
101.02428	4.3
103.12793	0.7
113.02417	6.7
113.09720	1.9
119.03486	4.2
129.01869	0.7
155.10765	2.0
161.04544	2.7
167.10748	1.5
179.05600	1.9
185.11815	100.0
186.12137	6.5
199.13426	2.6
221.58772	0.6
227.12918	2.9
264.13141	0.7
347.17136	2.2
355.70822	0.6
407.19498	0.9
422.36160	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77260	0.5
59.01378	100.0
60.01721	0.9
61.98841	1.2
69.19798	3.2
69.20229	1.9
71.01373	0.9
74.94451	0.6
91.10596	0.5
97.06603	0.8
101.06074	19.1
102.06432	0.7
115.07648	6.0
126.18560	0.6
133.02950	4.7
134.03746	13.7
135.04564	1.3
137.02438	0.8
143.07158	1.1
162.03267	1.2
177.01935	2.7
178.02768	4.2
179.03534	0.9
198.17223	0.5
231.10373	1.2
275.09219	14.0
275.11945	0.9
276.09579	0.9
282.39734	0.5
310.06808	0.7
336.24030	0.6
407.07742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.0
59.01381	100.0
60.61172	0.9
61.98831	7.1
69.48302	5.7
71.01391	5.8
73.02921	1.9
75.00883	1.4
83.01385	3.2
85.02457	1.6
85.02955	24.5
89.02452	2.0
93.24000	0.7
97.06577	2.0
101.02439	3.6
109.02960	2.0
111.00874	7.1
113.02425	3.2
119.03510	1.3
123.04530	1.8
129.01944	15.1
139.11284	2.8
141.12898	1.1
161.04524	2.6
185.11829	68.6
186.12123	3.4
197.32271	0.9
201.11336	3.2
205.03529	7.8
209.11832	1.4
227.12773	1.7
227.90379	1.0
228.39655	1.0
239.12889	1.2
245.08112	1.4
275.09268	1.4
347.17053	2.5
372.37314	0.9
407.15082	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	407.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
59.01381	49.1
59.15450	1.2
61.98829	13.6
71.01374	9.1
71.53577	1.9
72.00900	5.9
72.99316	2.2
73.02952	1.4
74.02479	9.7
80.62675	1.2
83.01415	1.5
85.02950	11.0
89.02437	9.6
96.96017	5.2
98.83651	1.3
101.02464	5.9
105.01948	4.0
113.02446	2.9
116.04253	1.6
116.05064	32.1
116.92860	7.0
117.05379	1.7
119.03483	2.4
134.85014	1.1
142.06641	7.3
143.03516	1.4
144.04526	8.1
148.46919	1.2
159.09302	6.0
161.04587	6.6
179.05621	3.2
185.95934	1.3
186.05574	1.8
188.07246	1.3
191.02007	2.3
202.11105	4.0
203.08261	100.0
203.11844	4.1
204.08568	5.0
209.03041	1.4
255.02844	3.2
256.03882	1.3
347.17166	10.1
389.74374	1.6
407.07266	7.1
407.18723	11.6
408.18442	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	407.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06633	0.4
55.01876	3.7
57.03447	14.0
59.01381	5.8
61.98817	1.5
67.01888	1.1
68.99811	0.7
69.36167	3.6
69.75961	0.4
71.01382	7.5
71.05016	0.7
72.99298	1.9
73.02943	2.2
75.00871	2.6
83.01385	6.9
84.02172	2.8
85.02950	100.0
86.03278	2.2
87.00864	0.9
89.02453	0.7
97.06601	1.4
99.00885	1.3
101.02449	5.1
103.00338	0.5
103.04044	0.6
108.61394	0.4
111.00881	16.8
112.01273	0.5
123.08152	1.0
129.01939	30.6
130.02286	1.0
139.11287	11.6
140.11618	0.8
141.09148	0.7
149.04495	0.5
161.04575	3.0
173.00862	0.8
177.03920	0.6
187.02524	1.6
201.11311	7.6
205.03520	42.5
206.03931	1.0
223.04559	3.3
269.13937	3.0
275.69855	0.5
322.76501	0.4
357.11752	0.4
389.14496	1.0
407.15491	13.5
408.15720	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54134	0.6
71.54504	0.4
73.02946	0.4
76.75686	0.4
77.03963	1.5
81.13843	0.4
89.03963	0.8
95.05051	2.1
97.06561	2.2
105.03456	10.0
117.03464	1.9
121.02956	0.9
123.04514	1.3
132.02200	0.6
133.02959	21.7
134.03745	39.4
135.04553	16.1
137.02443	1.6
145.02925	1.1
145.06593	0.5
149.02475	0.6
149.04553	1.2
159.04561	0.7
161.02495	2.9
162.03224	10.9
163.03694	0.6
177.01927	4.7
178.02679	4.8
183.32854	0.4
187.07639	1.9
203.10777	0.5
231.10257	38.7
232.10677	2.1
275.09250	100.0
276.09573	8.7
407.13284	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66967	0.6
59.01377	15.1
59.56380	0.5
61.98827	1.3
69.03473	0.7
69.39480	0.6
71.01385	3.5
71.30762	1.0
73.02949	2.2
83.05024	1.9
85.02953	1.6
87.00871	1.3
89.02438	8.5
101.02464	1.4
103.03998	1.2
113.02419	0.7
119.05027	1.4
131.03545	3.4
135.04555	1.1
143.05022	0.8
145.02963	1.0
146.03734	4.0
147.04486	1.0
148.05307	1.1
149.03357	1.4
149.04553	28.3
150.04935	0.9
157.01042	0.6
158.03716	9.0
159.04517	16.0
160.04910	1.2
161.04584	3.5
161.05727	0.6
168.95351	0.6
172.05278	3.6
173.06030	10.9
174.06839	4.8
175.07628	4.4
183.04254	0.7
187.04062	5.7
187.07637	43.1
188.08051	3.9
191.05574	1.7
200.04781	1.8
201.05595	4.2
202.06317	10.5
203.06549	0.7
203.10757	10.3
213.09186	4.7
215.07120	10.4
216.07742	1.8
217.20384	0.6
221.48743	0.6
231.06665	0.9
231.10243	20.3
232.10622	1.8
257.08179	3.2
275.09247	100.0
276.09586	9.3
347.17020	1.7
407.13428	3.2
407.18393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91022	0.7
59.01383	2.2
61.98830	100.0
69.50185	1.6
69.50586	4.4
99.92600	1.9
111.64640	0.7
115.92113	1.6
116.92856	2.8
118.23621	0.7
128.81073	0.7
224.14978	0.7
275.09219	1.5
311.27420	0.7
390.23615	0.8
407.07327	0.8
407.12048	1.4
417.24997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.9
60.37488	0.6
61.98829	100.0
62.83973	0.7
63.23254	0.7
64.50890	0.7
69.46548	4.5
79.83550	0.7
82.63801	0.6
99.92596	2.3
115.92068	4.5
116.92883	3.5
134.03813	1.6
137.83763	0.6
139.92056	0.7
141.69148	0.8
164.40706	0.6
170.06905	0.8
184.89236	0.7
265.89029	0.8
275.09302	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	406.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.6
61.98829	100.0
71.09262	1.6
79.53811	0.9
99.82654	1.1
114.20517	1.0
115.92013	1.0
116.92863	1.5
134.03755	1.9
160.96819	1.0
201.50633	1.2
211.16089	1.0
231.10199	1.6
275.09201	4.2
342.27457	1.2
407.07962	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	406.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06585	0.8
53.81499	0.8
54.24946	0.9
59.01373	1.5
61.98829	100.0
70.29023	3.0
79.36217	0.8
84.27247	0.9
98.20542	1.1
106.69564	0.9
134.03783	1.1
161.02266	0.9
183.06639	0.9
197.56013	0.9
244.17055	1.0
275.09265	2.6
296.80014	0.9
350.71133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67747	1.3
58.02973	12.4
59.01374	3.4
69.94077	7.0
71.01368	1.8
72.00896	1.7
74.02470	34.5
81.04584	3.7
82.02996	5.0
86.02458	13.2
87.05642	5.8
97.04108	3.0
98.20621	1.8
99.05643	28.5
101.07211	3.6
102.05613	6.5
107.06146	1.9
109.04060	4.8
111.05669	3.0
111.14677	1.5
112.04034	3.0
113.03554	1.5
114.53699	1.6
123.05636	1.9
125.03575	5.4
127.05088	3.8
128.03539	80.4
133.06940	17.4
135.05649	8.4
137.07202	2.2
140.19362	1.4
141.06694	4.7
143.04623	100.0
144.04987	2.4
145.06180	5.1
146.04616	12.3
153.06685	6.5
166.09804	2.8
167.04608	4.4
167.08229	6.2
170.03276	2.6
171.04131	3.0
179.04607	27.3
181.06186	4.2
185.05679	4.4
186.05630	1.5
192.07756	3.3
197.05704	5.6
207.87003	1.7
210.08847	22.8
224.07449	1.6
254.07805	51.5
255.08139	3.1
272.08875	60.3
277.12314	5.4
388.15369	13.1
406.16522	93.5
407.16791	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	406.165
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	11.3
59.01382	12.5
60.72075	1.5
63.99942	1.7
66.03488	2.4
71.01383	3.2
71.23278	3.5
72.00925	1.7
72.81107	1.7
74.02470	29.5
81.04586	2.0
82.02987	3.6
86.02460	10.2
87.02773	1.7
87.05647	4.8
88.04052	2.5
89.02486	2.3
96.04549	3.0
97.04082	3.7
99.05650	24.6
101.02442	3.2
101.07201	5.0
102.05611	4.4
104.76587	1.9
109.04077	6.8
112.04018	2.6
121.89597	1.6
123.05676	2.1
125.03564	4.1
127.05145	5.6
128.02585	3.8
128.03537	72.1
129.03819	2.1
133.06947	18.4
135.05640	7.4
141.06668	4.9
143.04620	100.0
144.04991	4.2
145.06146	3.2
146.04558	9.8
153.06712	5.9
161.04543	2.1
166.09840	4.6
167.04610	2.8
167.08229	7.1
170.03358	2.4
179.04607	25.2
181.06247	3.4
185.05685	4.5
192.07661	3.6
197.05618	5.3
210.06833	2.6
210.08818	22.9
254.07805	50.4
255.08072	5.8
272.08859	56.4
273.09158	4.8
277.12262	6.5
347.16922	2.1
388.15445	12.5
406.16522	81.8
407.16754	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	406.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
61.98830	100.0
69.96325	0.2
70.99846	0.4
71.01417	0.2
73.02953	0.2
89.02457	0.6
94.80045	0.3
99.32321	0.2
149.04570	1.5
150.97755	0.2
158.03763	0.7
159.04567	1.1
172.05336	0.3
173.06075	0.4
174.06972	0.3
179.37517	0.2
185.11853	0.9
187.04077	0.4
187.07599	1.8
201.05635	0.3
202.06400	0.5
203.10767	0.8
213.09097	0.2
223.93089	0.2
230.00066	0.2
231.10281	1.2
275.09238	7.2
298.57733	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42436	7.8
59.01389	45.6
61.98828	100.0
62.00489	8.9
68.67248	7.4
71.17669	16.0
89.40108	8.0
93.17841	7.3
96.96986	7.4
99.11272	8.8
106.76868	8.0
119.56668	8.2
157.51306	8.6
248.58505	10.5
273.43314	9.8
298.74689	8.5
299.16522	11.2
335.96829	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	405.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	34.8
61.98828	100.0
71.53919	7.2
92.71645	5.4
108.78921	5.9
116.61686	5.1
132.55005	5.5
238.40613	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	405.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01707	1.8
61.98532	2.3
61.98831	27.3
69.83875	1.0
70.19755	3.8
70.20123	2.2
78.95905	1.4
82.92168	1.0
83.90104	1.1
88.16014	1.4
91.31927	1.1
105.29581	1.1
121.37549	1.3
122.89399	1.3
146.24380	1.1
151.23149	1.1
158.80583	1.2
185.15460	1.2
206.39758	1.2
233.52634	1.0
249.57779	1.1
323.85242	1.3
343.28751	1.2
345.30109	16.1
346.30606	1.9
369.63791	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13568	1.2
57.03445	2.5
58.00605	1.0
59.01381	32.7
59.68744	1.0
61.98820	6.0
69.49956	8.5
71.01387	3.9
71.05025	5.2
72.99297	1.3
73.02943	10.6
78.66745	1.3
85.02937	9.8
87.04508	5.0
89.02441	1.5
95.05003	1.2
97.06569	6.8
100.51028	1.2
101.02438	1.7
111.08182	1.7
115.30438	1.2
118.98067	3.8
120.81474	1.2
123.04530	1.4
123.08115	3.0
129.01939	1.6
135.04523	1.3
137.02527	1.2
137.09697	2.8
139.11290	43.9
140.11624	2.3
155.10757	2.8
157.12389	1.7
167.03560	1.5
183.10243	2.9
191.01990	2.5
201.11320	100.0
202.11656	5.2
215.12892	3.4
221.06717	1.9
243.12329	4.3
245.35088	1.1
255.19646	4.0
257.21222	1.3
271.19180	1.9
281.06708	1.6
301.20203	13.9
302.20441	1.7
319.21210	60.2
320.21542	6.2
321.05017	1.2
361.22281	38.9
362.22650	3.9
405.16626	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	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03443	5.2
58.00593	1.5
59.01382	31.9
59.05024	0.7
66.42838	0.5
69.63073	0.5
69.72131	2.7
71.01387	9.9
71.05019	2.1
72.92065	0.5
72.99313	0.8
73.02959	2.3
75.76128	0.4
79.03205	0.4
83.01389	1.3
83.92487	0.5
85.02958	6.3
87.00883	1.2
87.04517	37.2
88.04868	0.7
89.02447	6.7
93.07103	17.7
93.07689	1.1
94.07436	0.7
95.05039	0.6
101.02450	7.4
107.08651	1.7
113.02447	4.5
119.03493	2.0
123.08146	0.7
139.04036	1.1
159.06653	0.7
161.04590	1.9
163.11224	1.2
167.03505	0.6
181.07121	0.5
181.12363	2.1
183.10245	0.5
225.11339	13.2
226.11659	1.0
243.12357	6.6
325.74896	0.5
345.15610	1.0
405.17648	100.0
406.18033	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	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03448	7.4
58.00580	1.8
58.42607	0.5
59.01381	22.9
69.76395	2.6
71.01389	8.9
71.05009	1.7
72.99311	0.7
73.02936	2.2
77.69856	0.4
83.01384	0.8
85.02950	6.0
87.00875	1.1
87.04518	45.3
88.04861	0.8
89.02449	6.0
93.07097	21.7
94.07439	1.0
94.15762	0.5
95.01437	0.9
97.39246	0.5
97.86897	0.6
99.00915	0.5
101.02453	5.3
107.08664	1.9
113.02438	3.3
119.03503	2.0
123.08115	0.8
129.24394	0.6
145.10274	1.1
161.04526	0.8
163.11375	0.9
179.05626	0.7
181.12340	3.1
225.11328	15.7
226.11752	1.5
243.12376	7.9
263.46222	0.6
399.10004	0.6
405.17633	100.0
406.17953	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	3.1
59.01377	100.0
59.43016	0.6
60.01707	1.1
61.98833	6.0
65.73515	0.7
66.49393	0.6
69.03469	3.8
69.36679	5.2
69.70404	0.6
70.70390	0.6
71.01384	10.4
71.05038	1.3
73.02940	3.7
74.02502	0.8
75.00885	0.8
83.01389	1.7
85.02956	3.6
87.00880	2.3
89.02454	5.4
93.03469	0.8
101.02447	7.0
111.08189	0.8
113.02459	5.2
113.06101	1.0
119.03531	2.3
124.81316	0.7
137.06117	0.8
139.11295	7.1
149.04539	1.4
153.09244	0.8
161.04590	2.5
165.09160	0.6
175.67473	0.6
177.91463	0.6
179.05725	0.6
183.10254	52.3
184.10585	3.6
191.05615	3.0
195.06790	0.7
201.11435	1.2
225.11392	2.1
229.08678	0.9
238.07370	0.8
243.12607	0.9
243.16031	3.4
253.09933	0.7
256.06161	0.8
256.09744	0.6
265.06534	0.7
265.10010	1.9
266.06863	0.7
267.07867	3.5
267.11560	1.0
269.09311	0.7
273.08182	0.9
279.07953	0.8
281.09305	8.9
282.09793	1.1
283.10934	2.0
285.12549	2.4
293.09421	3.5
295.07159	3.5
296.07986	3.8
311.10370	28.6
312.10803	2.6
329.11438	8.2
343.12363	0.9
345.15668	2.4
361.12643	2.9
363.16751	2.3
373.10574	2.1
405.17493	1.8
405.21503	9.7
406.21381	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78880	0.5
51.97542	0.6
57.03445	2.3
58.02976	0.7
59.01378	100.0
60.01715	1.6
61.98817	3.6
69.50990	1.0
69.51399	2.7
70.08791	0.5
71.01382	6.2
72.01742	0.6
73.02951	2.0
74.02489	1.6
82.03044	0.6
83.01417	0.7
85.02936	2.8
86.02493	0.8
87.00863	0.8
89.02431	4.7
99.05643	1.2
101.02450	4.1
113.02458	4.7
119.03521	2.5
122.09883	0.6
125.06072	4.2
128.03542	3.3
129.03891	1.5
139.07646	0.9
143.03592	0.9
143.04642	3.9
144.04976	1.6
149.05710	0.5
161.04553	2.6
172.05353	0.8
179.04514	0.8
183.10268	53.0
184.10600	3.0
187.04021	1.3
191.05698	2.7
210.08809	0.8
225.11328	1.9
229.08607	5.1
231.02977	2.4
231.63275	0.5
254.07993	0.8
255.08307	0.8
255.12141	0.9
272.08859	1.3
273.07532	7.2
306.07742	2.3
307.07904	5.3
308.07367	1.2
345.15469	2.6
363.16550	0.6
405.08133	1.6
405.17355	1.9
405.22284	1.0
406.17041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
57.03199	1.0
57.03452	12.5
59.01107	1.1
59.01381	11.8
61.98821	1.7
65.86461	0.7
67.01904	1.3
68.99808	1.0
71.01379	7.9
71.54364	0.8
72.99306	1.9
73.02953	2.7
75.00869	3.2
83.01386	8.3
84.02177	1.9
85.02953	100.0
86.03289	1.8
86.50094	0.8
87.00878	1.5
89.02438	1.5
93.03455	7.0
94.03807	2.1
101.02433	3.2
111.00883	19.9
113.02478	1.2
117.98167	0.6
123.04530	0.7
129.01950	28.8
137.02455	7.5
137.09694	1.7
138.02782	4.7
147.03012	0.7
155.10789	10.3
159.03041	0.6
161.04607	4.5
181.08739	0.7
181.12314	1.5
183.10312	0.8
187.02586	1.3
199.09737	1.6
205.03525	33.5
206.03833	1.0
223.04614	4.5
225.11360	4.3
243.12344	3.2
319.21362	2.1
363.39526	0.8
405.13089	5.5
405.18533	5.1
405.25345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.3
59.01381	44.1
60.01703	0.7
61.98833	4.8
65.00345	0.6
67.95337	0.6
69.03463	0.8
71.01386	7.5
71.53967	0.6
72.99321	1.1
73.02949	35.9
74.03294	0.7
83.01382	1.5
83.05048	0.8
85.02953	7.6
87.00878	1.6
87.04531	2.0
89.02441	3.8
95.01400	0.8
101.02436	3.8
109.02927	0.8
111.00909	2.4
113.02455	3.8
119.03490	1.8
121.10240	1.2
123.04504	0.6
123.08202	0.9
125.02415	0.9
125.09739	7.4
129.01926	2.5
135.04576	1.1
139.11290	7.9
143.03458	0.9
155.10797	1.2
161.04613	1.7
169.08723	3.8
179.05615	0.7
181.12338	8.3
183.10263	41.1
184.10567	2.2
187.09767	2.0
187.13400	1.0
191.05632	1.0
199.13382	7.6
205.03520	1.8
216.47646	0.6
225.11333	6.9
243.12367	100.0
244.12668	5.9
267.12369	1.5
285.13486	4.0
286.13800	0.9
311.10342	1.3
323.54724	0.7
329.11319	0.9
345.15585	2.8
361.09195	2.2
405.16742	6.3
405.25031	2.3
406.17859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88530	0.8
57.03438	3.0
59.01381	17.9
61.98829	3.9
66.47369	0.7
67.03197	0.9
67.53421	0.8
69.19715	8.1
71.01381	7.3
73.02934	2.3
85.02957	2.6
89.02439	4.1
93.03482	1.2
98.20620	1.5
101.02450	3.7
103.98241	0.9
111.00868	1.9
113.02458	1.9
119.03465	2.5
134.06120	0.9
148.03999	0.9
149.02495	2.1
149.04573	0.8
150.03197	4.6
161.04686	2.0
162.05516	1.3
164.01901	0.9
165.05563	4.8
183.10201	1.9
191.05617	1.8
195.06615	3.6
200.68137	0.8
209.08092	1.3
226.05092	1.2
227.05894	2.2
227.08228	1.5
228.06773	1.5
237.06544	1.0
238.07399	1.8
239.08157	1.6
240.05319	1.8
241.07396	2.1
243.16000	3.2
249.06458	1.6
250.01682	1.1
251.08232	1.5
253.07466	1.2
253.09828	2.6
255.07681	2.6
255.11464	1.6
256.06082	1.7
256.09793	2.2
257.06870	1.0
263.08206	1.6
264.09067	1.2
265.05801	0.9
265.09946	4.1
266.07001	3.4
267.07712	10.0
267.11346	4.3
269.09335	1.4
273.08685	2.2
277.06137	1.3
278.06824	2.1
279.07672	3.2
281.09308	32.9
282.09610	4.4
283.07724	1.5
283.10724	5.4
285.10004	0.9
285.12473	7.6
286.10822	3.3
291.07578	1.0
293.09293	14.7
295.07220	11.1
296.07974	13.1
297.08536	2.6
301.11987	1.5
305.13852	2.0
311.10352	100.0
312.10620	9.9
328.06918	1.1
329.11398	27.1
330.11908	2.0
354.25055	0.9
357.13226	1.2
361.12799	7.1
373.10400	6.7
405.12918	4.7
405.17303	1.6
406.06073	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	405.119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34142	0.5
59.01386	4.0
61.98829	4.2
65.00330	0.9
65.03967	3.4
67.01888	1.1
68.99815	0.8
69.34610	1.1
69.35023	3.4
71.01368	1.1
73.02937	0.6
74.02464	0.8
79.23229	0.5
80.02682	0.6
81.83233	0.5
85.02937	1.2
89.02467	0.7
91.01894	38.5
92.02225	1.4
101.02477	0.6
104.03558	0.7
104.76025	0.5
107.05038	1.9
108.02190	3.3
109.02950	27.8
110.03284	0.8
113.02481	0.6
121.02979	1.0
129.10359	1.6
131.03365	0.5
133.02969	0.8
135.00883	100.0
136.01222	3.6
137.02461	3.7
149.02472	1.0
149.04536	1.6
153.01933	88.1
154.02287	3.6
161.02429	0.6
171.11406	1.5
172.07750	0.7
175.03996	3.1
177.01938	3.0
189.01819	0.6
197.06090	0.7
225.05579	1.0
229.08629	1.7
242.11795	0.6
243.06613	13.2
244.06952	1.1
297.06134	15.2
298.06552	0.8
376.18747	1.4
405.11908	14.6
405.20523	0.6
406.12234	1.8
406.19913	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	405.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.6
59.01375	6.9
61.98835	4.4
65.75284	0.4
69.77565	0.4
71.01381	7.6
73.02943	4.9
80.20485	0.4
85.02956	1.3
87.00874	2.2
89.02441	30.4
90.02749	0.6
91.01887	1.5
93.03432	0.9
93.36372	0.4
101.02445	0.6
103.04000	2.2
108.02172	2.0
109.03001	0.6
113.02449	0.7
116.10589	0.4
119.05044	0.8
123.00885	0.5
123.08199	0.5
131.03506	7.1
131.08682	1.2
135.00923	0.9
139.11313	0.7
143.05013	0.5
145.10190	1.0
146.03775	0.5
149.04550	100.0
150.04941	3.1
152.01180	1.6
154.04259	0.6
155.08687	0.6
157.06583	0.6
157.10175	0.7
158.03848	0.5
159.04366	0.4
159.08147	1.5
169.12325	0.5
171.04524	1.0
171.08171	1.5
172.05295	11.8
173.05867	1.2
173.09698	1.8
174.03319	0.6
181.06667	0.5
183.08179	1.7
185.06082	3.4
186.06812	1.8
187.07674	1.1
191.05672	0.8
196.05219	1.5
198.03183	3.5
199.04012	0.5
199.07631	4.6
200.04805	7.7
200.08401	3.6
201.05113	0.8
201.09218	13.4
201.11314	3.5
202.09547	1.1
203.07231	0.5
211.03987	1.8
211.07669	3.1
212.04784	3.4
213.05301	0.7
217.08611	0.5
224.22603	0.4
226.02744	5.0
226.06279	6.7
227.07123	16.8
228.07509	1.0
229.08672	20.5
230.09044	2.3
243.06589	7.7
244.07152	1.8
245.08208	1.7
255.06606	21.4
256.07028	2.1
273.07697	6.0
274.08005	0.5
291.02853	0.5
301.20187	0.7
319.21057	2.8
350.31168	0.4
361.22348	1.3
405.11835	2.2
405.21191	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22689	0.5
54.03413	0.4
59.01379	4.2
61.98825	3.9
62.83065	0.4
62.90861	0.4
65.03951	2.2
67.01884	1.8
68.99831	0.5
69.41294	3.4
71.01378	0.9
80.02676	0.7
85.02959	1.1
85.95631	0.4
89.02454	1.2
91.01891	42.9
92.02242	0.9
98.20622	1.0
101.02435	0.4
104.03507	0.5
105.70483	0.5
107.05026	1.8
108.02168	3.2
109.02950	29.3
110.03299	0.8
116.27921	0.4
121.02938	1.3
123.04578	0.6
123.42782	0.5
127.89233	0.4
129.10353	1.5
133.02942	1.8
135.00877	100.0
136.01160	3.7
137.02428	3.7
149.02425	1.3
149.04576	0.9
153.01926	88.0
154.02258	3.3
161.02425	1.1
171.11360	1.2
175.03973	3.6
177.01904	2.8
179.03572	0.6
189.02010	0.5
197.06064	0.9
225.05553	1.1
229.08661	1.1
229.50195	0.5
242.11938	0.6
243.06581	12.4
244.06815	1.3
255.06642	0.6
267.06503	0.8
297.06104	16.2
298.06470	0.8
307.24103	0.5
319.16644	0.5
333.76047	0.5
345.13071	0.5
376.18689	1.9
387.01276	0.5
405.11841	14.2
405.20676	0.9
406.12033	1.5
406.19745	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.5
61.98829	4.8
71.01379	6.4
73.02951	5.4
85.02938	0.9
87.00897	2.6
89.02444	28.6
91.01892	1.4
93.03452	3.1
101.02444	1.3
103.03996	1.9
108.02168	2.5
109.02996	0.6
119.05014	1.0
122.09534	0.4
123.00851	0.6
131.03506	7.2
131.08653	0.6
131.41696	0.5
135.00877	1.9
135.04506	0.9
137.02454	1.6
139.11284	1.1
145.10263	0.7
149.04553	100.0
150.04871	2.9
152.01154	2.6
156.05804	0.8
157.10222	0.7
157.80812	0.6
159.08170	1.5
171.08176	1.3
172.05281	13.2
173.05948	1.1
173.09695	1.7
183.08159	1.6
184.05280	0.6
185.06067	3.6
185.09782	0.6
186.06918	1.6
187.07640	1.5
191.05655	1.0
196.05272	0.9
198.03235	2.8
199.07613	5.1
200.04745	6.8
200.08446	3.3
201.09230	12.9
201.11287	2.2
211.04037	1.9
211.07674	3.5
212.04767	3.7
226.02791	5.3
226.06273	7.1
227.07118	17.3
228.07458	1.1
229.08675	20.7
230.08997	1.0
243.06604	12.0
244.07158	1.7
245.08150	1.8
255.06612	21.4
256.06851	1.4
261.98892	0.6
273.07651	6.8
301.20267	1.1
319.21255	4.1
320.21643	0.8
340.77274	0.6
361.22461	3.6
405.11810	4.4
405.21243	1.0
405.36987	0.6
405.65070	0.8
419.38068	0.6
427.06274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84475	0.7
60.54313	0.7
61.98831	9.3
69.75947	3.8
75.22867	0.6
78.73893	0.8
79.95737	36.6
80.96526	9.3
106.98086	15.7
107.27287	0.7
120.40546	0.7
130.28149	0.7
133.41388	0.7
138.02309	13.4
147.63361	0.7
296.29657	1.7
404.28357	100.0
405.28677	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	404.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08406	0.7
55.08723	0.7
59.01372	1.8
61.98829	100.0
62.32313	0.6
62.53647	0.6
66.83965	0.6
67.62103	0.6
69.22169	0.7
69.67336	2.7
142.85104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89150	0.6
61.98829	100.0
69.50407	2.5
69.50826	1.5
71.05072	0.5
71.98967	0.6
106.86897	0.6
244.35248	0.6
267.56061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61253	1.5
59.01383	100.0
61.98832	25.8
62.34890	1.4
63.11205	1.5
70.01815	5.9
72.66048	1.3
77.53976	1.4
90.56265	1.3
113.14875	1.5
129.00266	1.4
216.50754	1.5
229.19693	2.0
277.90393	1.6
315.57904	1.6
354.68634	1.4
405.20645	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	404.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86804	1.0
58.02979	9.5
59.01377	5.5
61.98825	5.4
64.52015	1.1
66.03473	1.5
70.02995	1.9
71.01394	2.4
71.11926	1.7
72.00900	1.8
73.09822	1.1
74.02473	22.7
82.02985	3.1
86.02464	10.8
86.99109	1.4
87.05639	5.1
89.02435	2.1
90.00214	2.3
96.40380	1.2
97.04063	2.6
99.05640	20.3
99.06229	2.1
101.02448	1.8
101.07208	3.5
102.05624	1.3
102.21780	1.3
109.04105	1.8
111.05670	1.3
112.04075	2.5
112.47475	1.2
113.02447	1.7
113.07211	1.7
116.01752	1.3
120.01287	1.9
123.05627	2.6
124.03975	1.6
125.03547	2.1
127.05132	2.4
128.03540	50.8
129.03888	1.8
135.05658	3.6
141.06709	5.3
143.04622	74.3
144.05017	1.6
145.06090	1.5
146.04605	6.4
153.06723	6.4
155.08319	1.6
160.00739	22.9
166.09827	2.3
167.04651	4.6
175.99330	1.2
177.03381	8.9
179.04622	13.4
181.06184	2.0
184.10867	1.4
185.05582	1.7
197.05663	3.4
198.08578	1.6
201.83940	1.3
210.08820	11.2
223.68582	1.5
228.09625	1.4
254.07788	20.4
272.08890	32.5
273.09338	1.9
288.06586	12.7
306.07645	100.0
307.07822	6.5
405.21344	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	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57532	0.8
59.01364	1.2
61.98828	100.0
63.03421	0.7
63.67926	0.8
63.89015	1.0
67.81869	0.7
69.66839	4.7
80.51439	0.8
83.26932	0.7
102.06809	0.9
178.42442	0.8
200.77554	0.9
326.61047	0.8
355.41238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.98830	100.0
68.99559	1.1
69.54871	3.0
69.55270	1.7
98.20630	1.1
112.98590	2.1
138.62743	0.7
141.20975	0.8
186.20789	0.7
234.98581	0.8
300.53104	0.7
330.50540	0.8
341.14011	1.7
367.72864	0.8
413.39792	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48677	0.2
61.98830	100.0
69.84534	0.5
69.84944	0.9
75.40234	0.2
78.85121	0.2
89.64935	0.2
95.26889	0.2
244.79892	0.2
273.30734	0.3
285.46109	0.3
296.52936	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24685	0.3
50.38851	0.2
56.86069	0.3
61.98830	100.0
63.20195	0.2
69.67458	1.3
76.70849	0.3
92.39455	0.3
97.09885	0.3
100.20637	0.2
108.33862	0.3
163.07365	0.3
224.54587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
59.74813	0.2
60.84622	0.2
61.98832	100.0
69.78694	1.1
81.44381	0.2
91.79877	0.2
106.81310	0.2
115.74160	0.2
216.37990	0.2
245.68213	0.3
259.79068	0.2
309.05237	0.2
324.57535	0.3
405.17920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
70.17849	1.1
86.44868	0.9
93.51105	1.0
112.17065	1.0
192.16566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04959	0.8
59.07972	0.9
61.98829	100.0
70.64964	1.3
70.65308	1.1
71.06209	0.9
91.94893	0.8
94.43459	0.8
168.81738	0.9
258.60242	0.7
291.62912	1.1
368.69980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18206	1.0
58.40608	1.1
61.98829	100.0
68.71400	0.9
69.67672	6.4
85.72399	1.0
90.03306	1.1
95.86669	1.0
106.83943	1.1
127.98609	1.0
162.47563	1.1
290.08420	1.0
305.73178	1.1
352.93121	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
70.64907	0.5
70.65262	0.6
81.95571	0.3
85.26317	0.3
89.66556	0.2
94.58334	0.3
185.30775	0.3
281.21954	0.3
388.46100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00113	0.4
61.13268	0.5
61.98828	100.0
64.99246	0.4
69.66840	2.0
84.12952	0.5
98.19867	0.5
117.20640	0.4
293.33383	0.4
317.65115	0.4
354.10751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98535	0.2
69.59013	1.0
100.72926	0.2
118.80374	0.1
125.06647	0.1
125.90461	0.2
153.56633	0.2
162.28743	0.2
169.99153	0.1
195.14177	0.2
223.03653	0.2
252.83733	0.1
265.09286	0.2
328.92456	0.2
337.51071	0.1
404.10379	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61657	0.3
54.25359	0.3
61.98829	100.0
71.23532	0.5
74.02424	0.3
77.46217	0.2
177.24101	0.3
288.97864	0.2
363.41919	0.3
424.39862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.0
59.31928	0.3
59.94133	0.2
61.98828	100.0
65.04436	0.3
70.11114	0.3
70.44014	0.5
71.01388	1.8
72.24485	0.3
72.66685	0.3
73.02966	0.4
78.91908	0.4
85.02965	1.0
85.54869	0.3
89.02454	1.1
93.02925	0.3
96.96013	0.9
101.02444	1.0
113.02463	0.4
114.05595	0.8
119.03553	0.5
127.59692	0.3
135.04524	8.0
138.03267	0.4
161.04597	0.5
179.03485	13.6
180.03853	0.7
197.01534	0.3
223.06294	0.4
224.06386	0.4
341.08704	2.6
374.11606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01080	1.3
59.01381	33.5
61.98832	50.6
71.01382	12.5
71.53327	1.4
72.99302	1.0
73.02962	1.7
79.95734	1.0
83.01415	1.6
83.04998	0.7
85.02970	4.4
89.02445	10.8
95.05000	0.8
96.96009	25.3
101.02451	7.8
101.99825	0.8
107.05035	0.9
109.74451	0.9
113.02414	4.7
119.03510	4.7
119.05003	4.8
119.08680	2.7
120.47898	0.8
121.02956	1.0
124.01656	1.8
125.02469	1.0
129.01970	1.5
133.02954	18.3
133.03912	1.5
134.12700	0.9
135.04506	7.8
137.09708	1.0
139.04010	3.9
140.04372	1.8
143.03473	1.3
145.10236	8.8
149.06238	0.9
152.98558	1.1
153.01764	0.8
161.02441	100.0
161.09702	1.0
162.02798	4.6
163.04034	4.4
163.11324	3.9
179.03499	20.7
179.05334	1.5
179.05589	1.3
179.10869	1.0
183.10301	1.0
197.04550	2.0
203.03566	1.8
207.10378	1.0
218.78639	1.0
221.04544	1.5
225.11322	24.7
240.04895	1.1
241.00224	15.6
281.06717	1.9
311.80185	1.0
341.08759	47.8
342.09128	3.6
358.79495	1.0
401.77014	1.0
404.16330	4.0
405.04974	12.6
405.17697	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70839	1.1
59.01380	100.0
61.98830	24.6
71.54269	1.1
71.54702	2.0
83.25538	1.1
87.64616	1.0
115.26863	1.1
162.67180	1.2
176.07191	1.3
190.45892	1.2
201.14951	1.4
246.34715	1.1
264.17645	1.1
299.16235	1.2
310.22079	1.3
330.49533	1.1
333.36865	1.1
334.55435	1.3
343.28452	16.5
408.72812	1.1
420.27466	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.76291	0.4
60.01719	0.8
61.98834	9.5
74.08543	0.4
88.98798	0.5
138.47025	0.6
140.63330	0.5
155.10809	0.8
170.58110	0.5
181.05165	0.5
184.97527	0.4
201.14928	0.8
343.28534	11.7
344.28891	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	35.7
61.98827	100.0
71.38264	9.2
75.84255	6.4
82.62354	7.7
83.49102	6.2
91.85701	5.5
102.78712	6.2
110.72574	7.9
115.79844	6.0
133.69093	6.7
134.80203	8.1
141.53741	6.9
154.20253	7.6
271.22855	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	403.1975
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
53.09858	0.5
55.01873	1.3
55.19820	0.4
56.86971	0.5
57.03450	2.5
58.00592	0.6
59.01384	47.1
60.01714	0.5
61.98823	1.4
63.73063	0.5
69.03452	1.3
69.46606	0.7
69.47011	2.6
71.01385	25.6
71.05013	0.7
72.99289	0.6
73.02944	6.0
80.24586	0.5
81.03461	0.5
83.01392	3.8
85.02962	7.7
86.00072	0.5
87.00893	4.0
89.02455	4.3
91.44824	0.4
95.01402	1.3
97.02935	1.0
98.20646	0.6
99.00884	2.0
101.02445	10.0
103.00367	1.3
112.01666	0.7
113.02440	4.5
119.03532	1.1
124.01667	1.0
125.02431	1.9
131.03467	1.0
133.43814	0.5
137.09689	0.5
143.03494	0.6
153.12872	1.1
155.10777	1.3
161.04585	0.5
181.12370	3.3
185.11832	9.9
186.12125	0.5
199.13403	20.0
200.13759	1.8
211.13292	0.8
213.15025	0.6
227.57259	0.4
241.14488	1.3
249.27277	0.5
294.46039	0.4
317.16122	0.8
343.17603	18.7
344.17975	1.5
361.18683	51.3
362.19009	5.9
403.19720	100.0
404.20038	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	403.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39639	0.5
55.01868	1.5
57.03433	1.7
58.00591	1.0
59.01378	46.1
60.01717	0.7
61.98825	5.8
69.03436	1.1
69.21124	3.5
69.21532	0.5
71.01379	21.9
71.05013	0.7
72.99302	1.7
73.02555	0.7
73.02943	8.9
75.00879	0.4
80.04971	0.3
83.01376	4.8
85.02457	0.6
85.02949	9.2
86.00081	0.8
87.00877	3.4
89.02435	5.7
93.03487	0.6
95.01376	2.0
97.02932	0.9
99.00862	1.8
99.04488	0.5
101.02435	14.1
111.00860	0.7
112.01690	0.6
113.02438	6.4
116.92843	1.8
119.03490	1.5
119.97002	0.4
124.01640	0.6
124.89543	0.4
125.02431	1.3
129.01935	0.5
137.09732	3.1
140.83394	0.4
143.03476	0.6
150.03148	0.5
151.03972	0.7
155.10812	2.3
159.03023	0.4
161.02376	0.5
161.04497	1.1
179.03487	1.4
180.04306	0.8
181.08707	0.7
181.12349	6.0
182.12482	0.4
194.05740	0.4
194.75513	0.5
195.06546	0.7
199.07707	0.5
199.09663	0.7
199.13409	5.8
209.08165	1.4
213.14938	0.8
241.08713	0.6
317.19641	3.4
343.17578	14.7
344.17892	1.5
359.20700	1.1
361.18649	35.1
362.19083	3.6
403.19684	100.0
404.20050	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	403.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98021	1.3
58.07819	0.3
59.01385	3.5
60.97530	1.4
61.98824	3.5
63.96234	1.4
63.96610	0.3
71.01399	0.4
72.99307	1.4
73.98312	3.8
74.99097	99.6
75.99059	0.3
75.99443	0.9
87.00876	1.2
93.99287	0.4
117.97237	0.5
118.98083	0.3
130.33539	0.3
135.98373	0.9
136.99147	100.0
137.99483	1.6
153.01991	0.5
181.12427	0.4
184.59926	0.4
195.10240	1.1
201.16512	0.5
228.08307	1.1
249.47301	0.4
265.18066	1.3
279.14203	0.5
403.17963	12.9
404.18573	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	403.1969
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01353	0.3
55.01880	1.3
57.01256	0.3
57.03455	1.6
57.93444	0.3
58.00595	4.6
59.01379	96.2
60.01717	1.3
61.98831	10.3
69.03468	0.6
71.01381	78.3
72.01708	1.2
72.99310	7.0
73.02944	2.9
75.00874	0.7
83.01385	2.5
84.02158	0.4
85.02950	17.3
86.03300	0.4
87.00877	4.9
89.02444	100.0
90.02774	1.5
93.03467	3.9
95.01385	4.6
96.96022	0.6
97.02906	0.6
99.00876	1.2
101.02441	39.6
102.02785	0.5
107.16785	0.3
108.02189	0.4
111.00892	0.4
113.02449	30.5
114.02753	1.0
115.04025	0.3
119.03500	37.8
120.03825	0.9
121.02927	0.3
121.05046	0.3
125.02436	1.0
130.08827	0.3
131.03502	3.9
135.04526	0.3
137.02443	10.6
138.02933	0.3
139.00349	0.6
139.04004	0.3
140.80693	0.3
143.02417	0.5
143.03494	6.6
143.04601	0.5
145.97932	0.3
146.92413	0.3
149.04536	3.5
149.09695	0.3
151.11317	0.6
153.05536	0.4
161.02429	0.5
161.04552	7.9
162.04845	0.5
165.02014	0.3
167.03529	0.4
177.01886	0.8
178.02283	0.7
179.03552	0.9
179.05603	14.8
179.07036	0.5
180.05904	0.4
191.05556	0.8
193.01375	0.7
205.12366	0.4
208.03703	0.7
223.06125	2.3
223.13358	0.9
231.81133	0.3
239.05652	0.5
241.14423	0.8
258.84045	0.3
281.90231	0.3
331.17505	0.6
331.33353	0.3
341.08762	0.4
343.11261	0.3
357.20163	0.3
359.08936	0.5
385.18600	0.8
385.38892	0.4
403.12115	7.3
403.20386	2.9
404.12549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33330	5.0
57.03446	6.7
59.01380	74.9
61.98835	38.8
64.21021	5.3
69.03457	16.6
69.19257	51.6
71.01379	45.7
73.02542	4.6
73.02938	24.7
76.17184	5.7
83.01383	10.6
85.02950	27.3
89.02437	23.1
99.00883	5.5
101.02442	40.4
113.02455	20.8
126.56037	5.3
128.03574	11.5
138.06868	12.6
143.04646	17.6
153.09184	13.7
161.04539	13.6
167.03362	5.7
235.11829	16.3
241.14467	65.0
272.08917	7.3
306.07727	25.6
306.47089	5.5
348.66330	5.9
367.16083	59.1
368.16336	7.1
403.13724	48.8
403.19687	100.0
404.14294	5.8
404.20032	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	403.1611
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
55.01872	1.7
57.03450	3.0
59.01383	42.8
60.10331	1.0
61.98835	6.5
69.46980	7.5
71.01383	13.2
71.05077	0.9
72.99333	1.5
73.02949	100.0
74.03274	1.5
75.00887	1.2
82.62193	1.1
83.01392	2.2
83.05022	1.3
85.02954	9.5
85.68334	1.0
87.00896	2.1
87.04520	10.0
89.02443	9.1
91.99339	1.0
95.01387	2.1
96.96021	4.8
97.02945	4.0
98.20719	1.7
99.00894	1.7
99.04527	1.3
101.02443	8.8
110.99692	1.1
113.02451	8.1
115.04018	4.0
119.03506	3.8
121.06588	1.9
123.04527	1.3
123.08164	4.5
134.03760	2.0
135.04568	5.8
135.11777	1.5
137.09718	1.8
143.04973	1.0
149.06052	2.1
153.05324	1.1
161.04561	2.8
161.09723	3.8
167.07132	23.7
169.01450	1.6
179.05667	1.4
179.10789	6.2
181.08661	2.8
184.06439	2.0
193.05064	4.1
197.11827	69.5
198.12201	4.3
199.06128	1.9
199.09686	1.3
212.05875	1.5
217.05156	1.7
223.09749	4.8
240.05327	8.0
241.10811	85.6
242.11140	7.7
252.72287	0.9
283.11917	3.5
288.99847	1.1
343.13907	1.7
403.10367	9.6
403.15884	3.1
403.20181	11.2
404.20709	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16184	1.1
57.03463	1.1
58.00610	1.0
59.01381	38.1
61.98834	8.3
66.02376	1.0
69.57323	1.6
69.57729	5.3
71.01391	8.0
71.46795	0.9
73.02963	2.4
74.72347	1.0
78.95936	1.7
83.01388	1.9
85.02948	4.6
89.02457	5.4
95.01387	1.1
95.05011	1.2
95.41367	1.0
97.02953	1.3
98.20569	2.1
99.00919	1.0
101.02445	7.5
111.00881	1.5
113.02467	4.0
119.03510	2.0
119.05007	1.1
120.02063	1.0
121.02942	1.2
121.06589	1.6
124.01662	30.0
131.03485	1.1
135.04532	4.3
138.03233	1.4
139.04016	100.0
140.04333	3.6
148.01651	1.6
153.05635	1.3
161.04552	3.6
163.04051	2.9
163.07602	2.3
165.70663	1.0
166.02733	1.5
167.03494	18.3
179.03499	8.7
179.05676	1.0
179.10854	1.3
181.05048	2.2
181.08630	1.3
182.05829	4.2
193.05008	1.7
197.04565	1.5
205.05019	1.2
211.62474	1.0
223.09819	1.6
226.04846	10.7
226.18187	1.0
239.04543	1.2
241.07208	17.8
244.48303	1.0
259.05728	1.0
283.08188	14.0
284.08475	1.2
341.08853	3.0
385.63138	1.2
403.11084	1.8
403.16006	30.6
404.16306	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	403.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68704	0.6
50.73765	0.5
51.55904	0.6
51.79797	0.5
54.00778	0.6
54.15529	0.7
55.01881	1.1
56.95354	0.6
57.03447	1.4
57.35316	0.6
58.00586	4.0
59.01377	71.4
59.63469	0.7
60.01716	1.3
61.98825	23.3
70.16801	2.3
71.01379	50.0
72.99304	5.4
73.02938	2.0
83.01380	4.7
85.02946	12.1
87.00865	4.3
89.02441	59.6
90.02800	0.9
91.42599	0.6
93.03461	2.6
95.01369	4.8
96.95981	0.9
97.02940	0.7
99.00875	1.6
101.02441	25.6
109.02943	1.1
111.00880	2.8
112.98784	1.2
113.02449	19.2
114.05598	0.9
119.03496	24.1
119.21615	0.7
123.00883	12.3
125.02429	1.3
127.00375	2.5
130.08743	1.2
131.03526	2.3
135.04529	0.9
136.98859	1.4
137.02423	7.4
138.03233	7.7
139.00365	10.4
139.03911	0.8
143.03566	3.1
149.04559	1.6
151.00310	0.9
152.04745	1.2
152.08887	0.7
153.01956	0.9
153.05579	2.6
161.04559	4.1
165.01907	9.6
167.03485	2.0
177.01894	0.9
178.02461	1.0
179.03488	2.6
179.05598	7.2
180.04283	4.7
191.05698	0.9
193.01411	22.3
193.71216	0.7
194.01877	1.5
195.06668	1.3
207.02950	2.4
208.03760	39.7
209.04060	1.6
223.06104	100.0
224.06465	7.4
255.97710	0.7
315.33484	0.6
343.11353	0.8
368.14331	0.8
403.11951	9.8
403.20163	1.4
404.12793	1.2
404.20053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01378	79.3
60.01695	1.0
61.98826	10.2
70.00240	0.7
71.01382	5.7
71.53755	0.7
71.54191	0.6
73.02943	5.9
85.02462	0.7
85.02932	4.0
89.02448	3.8
93.03516	0.7
93.49132	0.7
97.02958	0.7
101.02435	4.1
107.01400	2.6
107.05025	0.8
111.00842	0.9
113.02464	3.0
119.03500	1.6
123.00902	1.3
125.02444	1.1
151.00360	12.3
153.76707	0.6
161.04561	1.6
161.27106	0.6
165.69124	0.7
166.02711	64.2
167.03072	3.0
179.05550	0.9
181.05060	100.0
182.05479	4.7
196.74818	0.6
197.11833	2.4
203.10719	0.7
241.10857	3.2
241.14426	1.5
242.99208	0.6
253.04561	0.8
283.10745	1.0
403.14020	3.8
403.19742	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	403.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01404	1.0
57.03448	1.0
59.01381	10.4
59.18163	1.0
61.52330	0.9
61.98831	10.9
66.79668	0.9
69.68875	5.8
70.05341	0.8
71.01380	3.4
73.02945	3.1
80.05058	2.0
85.02946	1.8
95.16608	0.9
101.02446	2.4
104.05045	1.4
113.31229	0.9
116.53602	1.1
122.06107	9.8
124.07644	2.2
125.02393	1.7
130.02986	2.1
131.03735	1.6
132.04553	18.7
133.04813	1.2
137.02458	2.0
146.02516	1.8
147.03218	3.8
148.04039	1.7
148.96315	1.0
150.05576	3.8
158.02481	7.9
160.04036	10.4
161.04697	2.3
162.05583	3.7
174.05530	2.7
176.03534	8.2
176.07126	3.0
179.05583	2.1
180.08170	1.0
181.05104	2.1
183.09297	2.5
184.07713	1.9
188.04555	0.9
190.05119	18.2
191.05479	2.3
196.11299	1.6
197.07040	1.3
198.04341	1.7
198.09262	1.1
199.08737	1.8
203.62831	1.0
209.07124	2.6
209.10976	1.1
211.08856	1.2
211.12384	5.8
212.05899	4.2
212.10822	3.6
213.06657	1.4
215.11855	4.8
220.02634	1.5
223.08725	7.0
224.07336	1.4
224.09489	15.0
225.06319	1.3
225.08067	1.8
225.09897	1.8
226.07428	3.3
227.08217	5.7
234.04085	1.9
235.04848	1.9
237.10269	1.6
238.08685	1.6
239.04539	1.9
239.08223	3.8
239.11887	29.3
240.10532	7.3
240.12410	2.0
241.09837	9.6
250.07455	3.1
252.05446	1.7
253.06155	26.6
253.08989	1.5
253.10020	1.8
254.03513	1.3
254.06770	4.2
255.07661	4.8
255.11353	7.6
256.08344	1.9
265.09760	2.6
266.07358	1.5
267.07761	8.1
268.08453	11.2
269.09158	1.4
281.09262	7.1
282.09946	1.2
283.10858	71.6
284.11221	6.5
287.10226	1.2
299.18774	1.2
309.08850	21.5
310.09082	2.0
315.13318	1.1
317.19717	6.9
327.09839	75.7
328.10214	8.6
341.11502	2.5
353.07822	2.9
359.12387	2.9
359.20975	4.7
371.08810	100.0
372.09052	11.0
403.11398	53.3
403.19788	2.0
404.11612	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	402.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.59270	2.6
69.59624	14.2
73.11728	1.9
76.64596	2.4
98.19859	2.4
129.49664	2.3
136.21059	2.0
163.11263	5.9
186.04189	2.2
272.67484	2.4
274.24881	2.2
328.10867	2.2
339.23190	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	403.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.5
59.01376	16.9
61.98597	1.1
61.98821	13.7
67.01879	1.3
69.49520	7.8
71.01365	2.6
73.02946	2.5
80.05017	1.9
83.01377	2.0
85.02941	3.0
89.02412	1.7
93.03429	1.6
104.05059	1.6
108.04504	1.5
113.02395	1.5
122.06113	11.5
123.98227	1.3
125.02406	4.3
130.02950	3.1
132.03651	2.2
132.04543	21.2
137.02425	9.3
147.03212	5.4
150.05544	4.1
158.02454	9.2
160.04060	12.3
161.04547	2.0
162.05508	5.2
164.38741	1.4
165.01878	3.6
173.13229	1.4
174.05550	2.1
175.07672	2.9
176.03508	11.9
176.07092	4.5
179.03319	1.8
181.05037	2.9
183.09232	2.4
184.07666	2.8
184.45235	1.5
190.05087	24.6
191.05580	4.8
196.11247	2.6
198.04333	2.6
209.07182	3.1
211.12372	6.7
212.05727	1.9
212.10745	4.1
215.11850	6.4
215.50021	1.6
220.02396	4.3
223.08723	4.3
224.07333	3.0
224.09532	15.8
225.06497	2.3
226.07454	2.9
227.08185	5.6
234.04076	4.8
235.04796	2.0
237.10396	2.0
238.08693	2.3
239.08176	2.8
239.11882	33.4
240.10092	6.4
240.12250	2.6
241.09848	9.5
250.07368	2.1
252.05215	2.7
253.06152	32.7
254.06694	5.0
255.07558	3.7
255.11461	7.4
256.08438	2.9
265.09680	3.4
267.07684	7.0
268.08521	14.7
281.09341	9.5
283.10852	69.8
284.11188	5.4
299.18576	2.5
309.08759	21.1
310.09000	2.3
315.13373	3.2
317.19635	13.1
327.09839	100.0
328.10138	7.7
341.11215	3.4
349.98816	1.4
353.07642	2.7
359.12302	4.4
359.20657	8.3
361.22070	1.9
371.08798	88.3
372.09018	11.2
385.12982	2.0
403.11304	65.4
403.23291	3.1
404.11490	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	401.1451
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
50.35587	0.8
55.01880	6.8
57.03437	4.3
58.00587	1.2
59.01378	40.8
69.03448	2.2
69.28795	7.1
71.01379	85.9
71.08359	0.8
72.01692	1.5
72.99307	2.0
73.02944	41.9
75.00880	2.9
81.03451	2.1
83.01382	15.0
85.02948	41.9
86.00114	1.1
87.00874	5.4
88.98808	4.2
89.02442	18.7
95.01388	5.8
97.02950	5.3
98.19897	1.1
99.00880	16.8
99.04489	1.5
101.02438	66.4
102.02769	1.5
107.05027	1.0
109.02942	1.0
111.00909	1.6
113.02448	32.3
114.02797	0.9
115.04015	4.0
124.93867	1.0
125.02443	7.4
129.01953	2.7
131.03517	4.4
135.04559	1.2
136.85579	1.2
143.03502	4.4
149.04562	3.8
153.01949	1.4
159.02954	7.4
161.04553	45.1
162.04898	1.9
179.00223	1.1
179.03416	0.9
179.07178	1.9
191.05594	1.7
197.08197	1.3
203.10715	1.2
221.11613	1.0
233.06680	9.1
237.04106	2.3
269.10291	82.1
270.10648	6.4
293.08749	3.5
341.15921	0.9
401.14493	100.0
402.14807	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	401.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98829	1.2
59.01379	100.0
61.63610	1.1
61.84763	1.0
61.98835	9.7
62.28614	1.2
70.39917	2.8
70.40282	2.9
71.01401	2.4
77.97410	1.1
79.65728	1.1
89.02431	3.4
102.89400	1.1
119.03458	1.4
121.02982	7.2
146.96561	2.7
275.82364	1.2
293.45129	1.3
313.06992	1.8
341.10654	3.3
369.65250	1.7
385.68811	1.3
394.00262	1.4
401.08514	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	401.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06440	0.7
55.01871	1.9
57.03444	1.7
58.00579	3.1
59.01377	79.1
61.98839	0.9
69.03443	7.4
71.01381	83.1
72.01693	0.9
72.99308	4.7
73.02943	14.3
75.00864	3.9
79.01877	1.5
81.03451	3.5
83.01378	6.4
85.02954	12.6
87.00853	3.4
89.02441	100.0
90.02763	1.9
93.03475	1.5
95.01375	3.6
97.02944	12.4
98.03238	0.8
99.00875	17.7
99.04513	2.3
101.02444	20.1
102.02766	0.8
107.05024	78.1
108.05344	2.3
109.02944	2.6
111.00874	2.4
112.25291	0.8
113.02451	11.0
115.03987	9.4
119.03482	3.5
120.35979	0.8
121.02911	0.8
123.00848	1.8
123.04475	2.4
125.02440	47.0
126.02747	1.3
127.03990	1.2
131.03497	11.3
134.74721	0.9
136.87105	0.9
139.80446	0.7
143.03461	3.6
149.04549	15.8
151.03891	1.3
153.01891	1.7
161.04552	6.9
163.03992	1.6
166.99800	1.9
167.03426	2.4
168.24500	0.9
173.04482	1.3
179.05592	2.3
181.01321	1.1
181.08604	1.4
182.02197	13.2
183.02585	1.0
191.03670	1.4
191.05623	15.7
192.04300	0.8
192.05974	2.2
195.02968	1.2
196.03650	1.1
197.04526	14.8
213.05540	1.4
215.03377	0.8
217.05014	1.2
221.11760	1.1
233.06642	40.8
234.06879	1.9
270.17542	1.0
270.20621	0.9
285.06683	1.0
293.08780	49.4
294.09042	3.5
329.08548	1.4
339.12158	1.0
341.07986	0.8
341.10797	3.6
359.09561	1.0
401.12082	12.1
401.18259	1.5
402.12039	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	401.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29934	4.0
59.01106	6.3
59.01380	58.3
61.98820	10.7
62.50357	3.5
65.53855	3.9
68.71831	3.9
69.81262	19.2
71.01379	31.0
85.02969	7.1
89.02443	53.6
92.66892	4.5
99.92540	4.1
101.02441	16.3
113.02428	13.0
119.03487	15.8
121.02965	24.1
143.03526	4.3
161.04552	9.9
179.05659	20.2
200.98759	4.0
207.29819	3.8
223.26498	4.6
274.34351	3.9
313.07040	9.5
341.10892	100.0
342.11075	6.1
357.05960	4.1
401.08710	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	401.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.6
59.01380	100.0
60.01699	1.4
61.98811	2.1
67.01882	1.3
68.13966	1.0
68.99809	4.7
69.03439	1.1
71.01382	11.6
71.21831	2.0
72.99308	2.6
73.02953	2.9
74.02214	1.1
74.88390	1.1
81.03461	2.9
83.01378	7.8
85.02949	6.8
88.98807	6.0
89.02447	8.4
90.64249	1.2
93.03463	2.5
95.01380	2.1
95.05030	2.6
97.02946	5.9
101.02458	6.4
106.00989	1.3
107.01385	2.6
108.02180	12.1
109.02960	13.8
111.00852	1.5
111.04507	3.6
113.02449	4.6
119.03481	3.7
119.05013	2.9
119.56364	1.3
121.03005	5.7
121.06580	3.6
122.02488	1.8
122.03732	5.3
123.04544	9.5
125.02430	10.5
129.01921	1.9
135.04541	2.7
137.02428	3.2
137.06090	45.4
138.06400	1.7
139.04012	2.1
146.03722	14.7
147.04294	1.6
148.05289	4.4
149.02440	4.4
149.04543	2.9
151.04019	3.3
152.01154	10.4
153.01949	8.6
153.05524	1.7
159.08116	4.1
161.06020	6.7
163.04054	2.7
164.04814	14.0
165.01942	2.1
165.05518	2.5
167.03522	7.5
177.09219	39.5
178.09521	2.5
179.03485	3.2
179.07137	47.7
180.04248	1.6
180.07448	2.5
181.05060	16.0
182.06007	1.6
191.05647	3.4
192.04271	1.3
193.01355	2.7
193.05026	2.7
195.02995	7.3
195.04491	1.0
195.10307	5.8
197.04530	1.7
197.08162	2.7
200.67865	1.3
207.02968	4.5
209.04599	6.9
219.66437	1.1
221.00945	1.8
221.04619	1.5
221.08156	9.7
222.04794	1.3
223.06085	3.4
232.10541	1.2
235.02498	9.0
237.04033	61.8
238.04340	3.2
239.05623	3.4
239.09238	12.2
249.03928	2.1
251.05551	1.7
267.05118	18.9
278.11935	1.3
281.06561	4.8
297.06049	1.4
311.07709	6.8
339.07248	2.0
341.11945	1.8
357.08261	20.9
358.08569	1.9
401.06790	2.5
401.10471	12.9
401.15479	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	401.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.1
59.45208	1.3
61.98830	12.9
65.65678	1.2
69.51231	8.8
71.01390	1.6
83.01360	1.4
84.02168	1.5
87.56639	1.4
89.02483	2.0
93.03445	1.3
95.01385	13.1
97.02949	6.9
98.19947	2.4
107.01418	1.7
107.05016	7.5
108.02188	1.4
109.02951	2.1
111.56195	1.2
113.02370	1.8
119.01396	1.8
119.05035	1.8
121.02958	17.3
121.03773	2.1
123.00890	15.3
123.04512	3.8
124.01595	1.3
125.02425	10.1
131.05014	4.4
133.02969	3.5
133.06587	2.8
135.04530	3.4
138.03229	4.6
139.00357	2.6
147.04536	6.7
149.02441	2.7
149.06079	6.7
151.00349	10.6
151.03981	4.6
153.05582	4.4
159.04509	7.5
163.03990	5.8
165.01903	3.2
165.05524	3.1
175.03984	21.7
176.04353	1.7
177.01979	4.5
177.05551	12.9
178.02574	2.7
179.03552	2.7
190.02654	1.4
191.03471	13.9
193.05052	16.9
201.05524	1.8
203.03503	28.3
204.04239	3.8
206.05815	7.2
218.05829	17.6
219.06467	3.9
220.03853	2.2
221.04544	98.6
221.08112	5.7
222.04962	5.8
233.08142	10.7
235.06143	2.1
236.06886	100.0
237.07257	5.7
251.09233	54.4
252.09665	3.9
279.06982	1.3
297.07559	1.9
307.06073	1.5
313.07245	3.9
323.05829	1.8
341.06696	12.2
341.10873	5.4
341.23386	1.3
343.08139	4.9
353.06558	4.5
356.08997	10.5
357.09412	1.5
368.09177	6.0
371.07617	21.9
371.11475	18.7
372.07968	2.4
372.12073	1.9
383.11414	7.7
386.10028	26.8
387.10410	3.4
401.12442	91.5
402.12762	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	401.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68516	2.8
58.22013	2.8
58.40867	2.4
59.01369	7.7
61.98830	6.3
63.99794	2.3
71.53399	3.3
84.02237	2.6
89.02431	3.1
95.01414	16.0
95.01955	2.8
97.02953	4.4
101.02399	3.2
107.05006	4.2
109.02994	3.0
121.02959	62.7
121.48516	2.8
123.00880	16.0
123.04482	2.9
125.02437	11.5
131.05042	6.0
135.04562	5.4
138.03249	5.7
140.07954	2.7
147.04561	7.5
149.06111	6.2
151.00345	9.9
151.04031	6.3
153.05563	4.6
159.04520	10.2
161.04454	3.2
163.04022	6.5
165.01924	2.7
174.03278	3.6
175.03967	20.8
176.07185	3.5
177.01978	3.0
177.05577	14.0
179.03374	3.8
181.06601	5.7
190.06346	2.8
191.03502	12.8
193.05035	13.7
195.29640	2.5
203.03490	30.1
205.04814	3.8
206.05792	6.9
218.05772	16.7
219.06369	4.1
221.04529	86.5
221.07935	5.0
222.04947	6.1
225.05589	4.3
233.08209	9.8
236.04489	6.4
236.06894	100.0
236.55388	2.8
251.09250	46.6
261.16095	2.7
309.07614	3.4
313.07126	18.7
341.06711	12.0
341.10748	7.8
343.08481	3.5
353.06693	6.3
356.09018	10.7
357.06042	4.3
368.08871	4.6
371.07434	19.6
371.11600	15.0
383.11282	10.3
386.10120	26.5
401.12680	85.6
402.12714	12.2
402.17303	3.5
407.00470	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	401.1239
Annotation	2-(2,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
52.60880	2.4
59.01381	16.6
61.98839	11.8
67.01883	4.9
68.99815	5.8
70.09201	6.3
70.09583	5.5
71.01385	9.8
81.03471	4.2
83.01395	4.8
89.02448	8.1
91.05518	3.7
93.03456	6.3
95.01373	4.6
95.34366	2.7
97.02958	3.1
99.92570	6.3
101.24532	2.5
104.66840	2.8
105.07118	4.3
107.04998	3.1
108.02199	4.3
109.02968	12.3
113.02477	4.5
117.07088	3.0
119.03506	2.6
119.05035	4.4
121.02964	43.1
123.00910	7.3
123.04500	4.7
124.01657	5.3
125.02467	5.5
131.05040	6.3
133.06595	5.3
135.04515	5.3
136.01662	9.2
137.02432	18.3
143.05005	5.1
145.02893	3.0
145.06604	5.7
146.03757	4.1
147.04570	5.2
149.06079	10.7
150.15074	2.7
152.01135	4.0
153.01976	8.4
158.03752	4.8
159.04521	12.3
159.97035	3.1
161.02437	9.0
161.06090	5.4
163.00243	3.9
163.04057	3.0
163.24911	3.0
165.01869	17.7
171.04543	3.5
174.03212	6.8
175.04015	10.5
176.04742	13.6
177.05582	18.9
179.05623	4.1
187.03960	6.5
188.04816	4.4
189.05571	16.6
190.06245	5.0
191.03596	4.0
203.03401	3.1
205.05051	58.5
217.05014	26.6
219.94501	3.0
225.05591	4.5
313.07318	8.7
313.10825	4.1
341.10895	12.5
342.10718	2.8
343.11987	11.3
357.06516	3.8
371.11340	90.0
372.11627	8.4
383.11441	7.9
401.12546	100.0
402.12802	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	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99847	1.0
57.03462	1.6
59.01372	6.8
61.98858	1.2
67.01897	1.3
68.99824	6.2
69.64539	5.6
71.01386	4.6
73.02951	1.7
81.03463	9.0
83.01382	12.8
83.32172	1.0
83.96691	1.0
85.02953	3.6
89.02446	1.2
89.68063	1.0
93.03479	2.7
95.01394	2.2
95.05040	7.5
97.02959	8.8
99.04528	3.3
101.02441	1.5
107.01381	2.7
107.05035	3.0
108.02173	3.0
109.02961	6.7
111.04505	3.1
113.02457	4.5
121.02945	2.9
122.02538	1.6
122.03685	2.0
123.04539	17.9
125.02454	16.5
135.04550	5.2
137.02428	6.5
137.06094	9.6
139.04002	7.5
141.05630	1.4
147.04549	1.2
149.02420	3.9
149.06035	2.5
151.00394	1.3
151.03995	7.5
151.07663	2.7
152.01170	2.2
153.01909	3.1
153.05547	1.4
155.03464	1.2
163.03989	3.2
164.04840	1.8
165.02000	2.0
165.05556	4.3
167.03513	37.9
167.04947	1.8
168.03816	1.3
175.03992	1.7
177.01993	2.0
177.05527	2.9
177.09222	2.7
178.42081	1.1
179.03467	11.8
180.04344	1.9
181.04984	2.4
191.03520	2.8
191.07172	1.4
193.01431	2.1
193.05046	9.7
195.02992	7.9
197.04561	8.2
207.02924	4.5
209.04575	29.8
210.04997	1.6
219.02963	1.7
221.01009	2.0
221.04584	14.4
223.06154	2.7
225.70927	1.2
235.02478	8.6
235.06131	4.2
237.04060	58.7
238.04370	3.6
239.05620	24.4
249.04010	1.4
251.05574	11.0
263.05753	5.1
263.08121	1.3
265.07175	1.6
267.05106	19.8
268.05438	1.2
269.06729	3.9
279.05264	1.9
281.06671	100.0
282.07010	9.1
293.06644	3.2
311.07730	44.9
312.08133	3.3
323.07703	1.7
339.07330	1.6
357.08237	18.4
357.12250	1.6
358.08542	1.9
383.09702	5.6
401.06531	2.7
401.11359	12.4
401.15561	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	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.5
61.23248	0.3
71.01373	1.3
71.45007	0.4
73.02927	0.4
83.01391	0.8
85.02952	1.1
89.02455	0.8
93.03447	0.4
97.02989	0.5
101.02418	0.5
108.02196	0.6
109.02943	1.3
110.00034	0.6
111.00876	2.2
113.02435	0.5
124.01670	0.9
125.02421	0.7
129.01913	0.4
134.03673	0.4
135.04558	1.5
136.98824	0.5
137.02446	1.1
139.00351	1.2
140.01184	0.7
153.01921	8.7
155.03505	0.4
161.02405	0.5
164.01218	0.5
165.01956	0.4
165.99033	1.5
167.03453	0.8
173.04524	0.5
176.04758	0.6
177.05489	0.4
179.03549	0.5
181.01418	17.7
182.02196	100.0
183.02528	4.6
189.72452	0.3
191.05609	3.7
192.05989	0.8
195.02992	1.7
195.04836	0.3
196.03763	3.5
197.04533	66.5
198.04839	3.3
215.03481	0.5
216.04268	1.3
217.05022	0.9
225.13826	0.4
231.06773	0.4
239.05455	0.4
241.05061	0.8
242.05817	0.8
252.25748	0.3
271.66217	0.4
283.06152	0.9
286.04794	1.0
289.07251	0.6
304.05841	9.4
305.06262	0.9
311.05588	0.8
341.08246	1.7
359.09882	1.1
401.10870	28.9
402.11185	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	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37934	1.0
56.22648	1.0
59.01377	10.2
60.99305	1.5
61.98830	1.7
68.99814	1.4
71.01335	5.4
73.02946	11.4
75.96291	1.1
81.03454	1.5
83.01389	2.2
85.02956	5.8
87.00874	1.3
88.98795	6.5
89.02441	2.5
93.03450	1.0
94.19105	1.0
95.01395	1.8
95.04956	1.0
101.02427	3.2
101.53800	1.0
103.03983	4.7
107.22486	0.9
108.02174	71.3
109.02956	61.5
109.79146	0.9
110.03280	2.4
111.00911	0.9
113.02446	1.8
119.05087	1.3
121.02951	1.8
122.02450	1.1
123.00874	1.7
123.04523	2.9
125.02455	2.0
127.25061	1.0
130.19598	0.9
135.04533	1.8
136.57350	0.9
137.02408	1.4
137.06155	0.8
149.02406	1.5
149.04552	2.5
151.00400	0.9
151.04005	1.8
152.01154	67.0
153.01959	29.2
154.02293	1.3
159.02989	1.0
161.04533	1.1
163.04050	1.8
163.88760	0.9
167.03477	3.7
177.09258	1.2
179.03535	1.8
192.45245	1.0
193.05048	1.2
195.02997	1.6
197.08197	1.2
209.04591	2.1
221.04422	1.2
221.11719	1.9
235.02531	1.5
237.04010	13.9
239.09209	1.2
253.07213	1.5
267.05118	4.3
297.06039	1.8
311.07651	1.2
357.08218	4.1
371.09799	2.7
383.09924	4.6
401.10880	100.0
402.11191	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02828	1.4
57.49304	1.4
59.01378	11.0
61.23623	1.5
67.80115	1.2
68.99828	2.5
71.01385	6.4
71.35696	1.5
72.99317	1.7
73.02931	3.7
81.03481	1.9
83.01383	4.7
85.02966	6.7
87.00878	48.6
89.02450	2.3
95.05014	1.3
97.02940	2.5
99.00863	2.0
101.02422	3.5
108.02180	3.8
109.03040	2.5
111.00846	1.5
113.02456	4.4
121.02983	2.1
123.00903	4.7
123.04530	4.4
125.02422	4.3
135.04553	2.1
137.02422	2.1
137.06070	2.8
138.03227	3.0
147.04509	1.9
149.02463	3.4
149.17296	1.3
151.00380	2.8
151.04007	3.9
152.01122	3.0
153.01912	3.0
153.05540	1.4
161.02440	6.0
163.03983	20.5
164.04834	13.0
165.01982	2.1
165.05569	4.8
166.02684	6.9
167.03496	3.2
173.02379	1.4
173.47263	1.5
175.04041	3.2
176.04825	10.0
177.01918	3.1
177.05464	1.4
178.02515	1.2
178.06372	13.9
179.03511	8.4
179.07132	25.8
180.04158	1.6
180.07440	1.6
181.05055	9.2
187.03970	2.3
188.04704	1.7
190.02663	1.4
191.03488	16.9
191.05298	2.4
191.07079	6.0
192.04185	3.7
193.01456	1.6
193.05038	10.1
193.08630	3.6
194.05968	6.8
195.02985	3.9
197.04533	2.3
203.03506	5.7
204.04356	2.0
205.01447	2.2
205.05075	7.2
206.05849	6.3
207.02951	2.7
207.06604	3.1
208.07404	2.0
209.04509	4.3
209.08231	6.1
218.05859	4.3
219.02988	4.6
220.03728	2.1
221.04616	7.2
221.08165	8.7
222.05261	2.2
223.06154	1.5
231.02992	3.1
232.03558	1.8
233.08109	1.6
234.05305	5.0
235.02435	4.0
235.06117	2.4
236.06932	1.7
237.04018	27.9
237.07744	3.4
238.04633	3.7
239.05542	2.2
247.02505	6.2
247.06129	3.1
249.07700	4.7
250.04828	2.1
251.09230	3.1
261.07565	2.5
262.04816	8.5
265.04330	2.7
265.07159	49.7
266.07544	5.1
267.05148	10.0
277.07166	26.4
278.07455	2.2
279.08740	1.3
291.08496	1.7
295.08240	57.9
296.08627	5.6
325.09225	1.9
328.20547	1.3
337.09311	2.8
341.10577	2.7
355.10345	20.9
356.10626	2.5
357.08206	11.2
383.09702	7.3
401.10895	100.0
402.11191	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	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01111	0.3
59.01379	4.8
62.29689	0.4
69.94303	1.7
71.01383	1.0
83.01366	0.6
85.02970	0.4
87.00893	0.4
89.02441	0.8
93.03452	0.4
108.85503	0.3
123.00858	5.4
125.02482	0.5
135.02995	1.1
135.04538	0.4
139.00340	2.3
141.01920	1.0
144.46022	0.4
151.00354	1.4
153.01936	1.2
166.99855	12.0
168.00221	0.5
179.05641	0.4
181.01364	1.4
182.02202	92.5
183.02531	4.9
191.05600	1.5
196.03749	1.1
197.04544	100.0
198.04889	6.0
198.47859	0.4
239.12831	0.4
246.26134	0.5
255.81300	0.4
341.11078	0.5
392.76550	0.4
401.10852	13.0
402.11224	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	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.2
59.01380	29.7
61.98832	1.7
63.00189	1.1
68.46532	1.3
68.99854	1.2
69.03452	2.8
69.28207	9.5
71.01382	5.0
73.02932	2.6
75.00826	1.7
83.01384	11.9
85.02953	4.7
89.02449	2.6
91.01970	1.4
93.03460	3.5
95.01357	1.5
95.05065	2.3
96.92467	1.4
96.96020	3.6
101.02448	2.7
107.05029	1.9
109.02959	1.7
113.02439	2.1
119.05008	1.5
121.02924	3.4
123.04545	4.8
129.01913	2.4
131.03523	1.9
135.02965	2.9
135.04536	6.7
137.02480	8.1
139.04001	3.3
139.11285	5.3
145.03014	1.2
149.06131	2.9
150.54897	1.2
151.04013	6.9
153.06837	1.4
153.09204	2.9
157.04951	1.3
161.05963	2.0
163.00342	3.2
163.04008	5.2
164.04842	3.1
165.01866	2.9
165.05542	1.5
167.03471	3.4
175.03932	2.9
175.06114	3.3
177.02017	2.5
177.04172	1.8
177.05502	8.1
178.02600	1.4
179.03481	21.9
179.05083	1.6
179.05676	1.6
183.10284	14.2
191.03503	3.6
191.05710	1.2
192.04269	2.3
193.05049	21.5
197.04491	2.3
197.08112	1.8
201.11288	6.4
205.01407	5.9
205.05045	7.1
206.02196	24.6
207.02948	21.5
219.03023	9.2
220.03712	4.7
221.04544	53.7
222.04906	2.0
233.04539	6.0
237.04042	1.4
239.05673	8.2
249.04016	79.1
250.04343	5.7
251.05585	11.8
252.05855	1.5
261.04062	4.8
279.05090	26.3
280.05661	2.0
281.06644	100.0
282.06946	8.5
293.06619	2.4
311.07724	40.6
312.07965	1.6
319.04553	1.5
383.09683	3.1
401.10565	9.5
401.14297	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	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.0
58.00560	2.6
59.01382	52.9
59.61316	1.7
61.98834	2.3
68.99801	3.1
69.03458	2.0
69.52146	8.0
69.52548	2.7
71.01386	59.4
72.99312	3.8
73.02950	11.8
75.00874	44.8
80.93452	1.5
83.01396	7.0
85.02946	21.6
87.00890	13.5
87.87959	2.1
88.98796	2.9
89.02444	15.5
93.03496	3.2
96.95991	10.7
97.02974	3.1
99.00882	15.4
101.02454	10.9
101.03034	1.7
107.43164	1.7
109.02958	7.5
111.00910	3.6
111.02376	1.7
111.61883	1.8
113.02486	5.3
119.03506	3.0
119.05015	4.1
121.02953	7.7
123.04526	7.7
129.01947	29.1
131.03520	2.3
135.04532	4.2
137.06111	8.3
141.01932	2.8
147.04514	5.1
149.02443	49.2
149.04407	2.5
150.02744	1.8
151.04025	3.0
152.01115	3.1
153.01938	10.2
153.05569	7.0
155.58568	1.7
159.02982	11.0
160.06076	4.0
161.04549	2.3
164.04793	40.8
164.93231	1.9
165.05382	2.2
167.03473	3.6
177.04048	80.0
178.04367	2.7
178.07199	2.8
179.03464	2.0
179.05687	2.1
179.07108	6.2
190.02785	2.6
191.03569	2.5
191.05544	2.5
195.03014	17.2
195.05095	78.0
196.05470	2.1
197.07123	2.4
205.05116	2.5
207.02832	2.5
208.03821	2.8
209.04515	4.1
221.04526	3.2
221.08109	3.1
223.06136	50.9
224.06561	2.6
235.02412	2.4
237.04021	16.6
237.07706	3.2
255.05112	16.2
263.05606	2.1
265.07147	7.9
267.05081	3.5
281.10236	2.5
299.11435	1.9
315.07611	15.3
325.09256	4.3
341.10837	3.3
357.08630	9.6
365.17981	2.5
383.09778	3.8
401.10910	100.0
402.11292	10.9
402.17413	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	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57666	0.6
51.62096	0.7
52.19799	0.7
59.01380	25.9
61.98828	10.8
64.86790	0.7
67.79125	0.7
69.30073	6.9
71.01371	11.8
73.02950	12.9
78.37029	0.7
81.03441	2.4
83.01369	2.3
85.02953	7.4
85.11234	0.7
86.19627	0.7
87.00835	0.8
88.98824	0.7
89.02443	9.7
93.03461	2.1
95.01410	4.0
96.18401	0.8
99.00877	1.1
101.02459	6.8
103.04042	3.6
108.02173	72.5
109.02957	77.2
110.03281	2.5
111.00874	1.9
113.02456	5.8
116.78951	0.9
119.03502	2.4
119.05013	2.5
121.02922	0.8
123.00864	2.6
123.04518	1.9
131.03453	1.0
133.02989	1.0
134.03638	0.8
137.02466	1.6
139.00368	2.3
143.03444	1.0
149.04558	1.4
151.03973	1.3
152.01146	67.9
153.01938	47.4
154.02214	1.3
161.04521	3.1
163.03955	1.7
165.01932	1.6
173.04500	2.9
177.05528	1.2
179.05559	2.2
179.07062	0.9
189.07001	2.3
191.05624	4.2
192.05934	1.5
197.04559	0.9
200.04431	0.8
221.11884	3.7
231.99539	0.9
281.10214	1.5
282.10748	0.8
297.05902	0.9
315.07001	1.2
338.09488	1.0
341.10806	7.9
371.09726	3.3
383.09866	6.2
401.10843	100.0
402.11295	10.6
408.41617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39922	0.7
59.01374	2.5
65.00322	0.9
68.99826	1.2
70.91888	1.5
71.01388	2.5
76.52382	0.7
81.03455	3.4
83.01384	3.5
89.02429	1.2
95.05030	0.8
101.02454	0.8
105.03484	0.8
107.01394	0.9
107.05072	0.8
110.22892	0.7
111.98170	0.6
121.02975	1.0
123.04530	30.9
124.04848	1.1
125.02477	5.3
131.01357	0.7
137.02464	0.9
139.04016	0.9
149.02435	4.3
151.00375	3.3
151.04008	2.5
163.03940	1.4
166.02745	1.5
167.03494	100.0
168.03812	4.6
175.00319	1.4
177.01961	1.3
179.03461	1.4
180.04219	0.6
181.05046	2.7
191.03503	30.5
192.03775	1.5
193.01421	26.4
194.01807	1.4
195.02985	44.0
196.03345	1.9
209.04553	9.0
219.02953	2.3
221.00871	5.7
221.04388	3.1
237.04025	3.7
269.06680	0.8
329.08774	35.7
330.09097	2.1
357.08246	2.6
401.07227	2.8
402.46286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.1
59.58129	0.6
67.01877	0.8
68.99820	9.0
69.22208	5.0
69.22614	1.6
71.01400	1.7
81.03477	5.2
83.01379	8.1
85.02950	2.4
89.02444	0.7
90.98595	0.7
93.03487	1.4
95.01424	0.7
95.05032	3.2
97.02936	6.0
107.01390	3.0
107.04948	1.1
108.02142	1.0
109.02953	3.0
111.04453	0.7
119.04995	1.1
121.02953	1.0
123.00894	0.6
123.04521	9.7
125.02444	8.9
134.41772	0.6
137.02460	3.6
137.06110	4.3
137.58470	0.6
139.04005	1.3
147.04623	0.8
149.02415	1.0
149.06168	0.9
150.68712	0.6
151.00388	1.7
151.04028	3.5
153.01938	4.1
155.03453	0.9
163.04002	2.3
165.01883	1.8
165.05583	2.9
167.03482	8.2
177.09178	1.6
179.03523	3.7
179.07153	0.8
180.04118	1.3
188.16826	0.7
191.03532	1.1
193.01413	4.6
193.05025	4.6
195.02956	10.8
196.03401	0.8
197.04530	1.5
203.82076	0.7
205.01558	0.6
207.02988	6.6
208.03763	1.5
209.04549	9.0
219.03117	1.4
221.00899	1.5
221.04524	2.7
223.06099	0.8
234.01839	0.8
235.02480	13.7
236.02824	0.9
237.04022	100.0
238.04338	6.7
239.05530	1.7
240.02733	1.2
249.04073	1.9
251.05464	0.7
265.03534	2.0
267.05075	34.3
268.05527	1.4
279.04959	1.1
297.06100	0.9
329.08545	0.8
339.07080	3.2
357.08240	34.6
358.08627	2.1
401.07071	8.3
402.07513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00468	0.8
53.73289	0.9
55.54111	0.9
57.03436	1.0
59.01385	4.5
61.98829	1.3
67.01886	0.9
68.99814	9.4
69.03471	1.4
71.01378	2.6
81.03465	3.7
83.01386	9.3
85.02949	3.0
89.02420	0.9
95.01376	1.2
95.05025	3.9
97.02946	6.5
98.19754	1.6
101.02490	0.9
107.01392	4.7
107.05001	1.1
108.02173	8.3
109.02969	8.6
111.04532	1.5
113.02416	1.9
119.04994	1.3
121.02975	2.3
122.03732	2.3
123.04530	10.1
125.02457	10.2
133.06537	0.7
135.04521	1.6
137.02446	3.1
137.06053	4.3
139.04045	1.8
147.04576	1.0
149.02451	3.3
151.00404	0.9
151.04008	4.9
151.07637	9.6
152.01184	4.9
153.01955	6.5
155.03505	1.1
163.03987	1.8
165.01952	1.8
165.05553	2.7
167.03500	11.2
174.81274	0.7
175.03979	1.0
177.01950	1.3
177.09203	3.1
179.03465	3.0
180.04269	2.1
186.58701	0.9
190.71890	0.9
190.73813	0.9
191.03572	1.8
191.07121	1.1
193.01344	4.9
193.05023	5.9
195.02962	10.8
195.06619	3.6
195.10185	1.1
197.04543	1.4
205.01460	1.4
207.02962	7.0
208.03688	2.4
209.04535	12.1
219.03014	1.8
221.00912	1.7
221.04543	3.4
221.08206	0.8
223.06126	3.3
233.55342	0.8
235.02475	14.8
235.06094	3.6
237.04030	100.0
238.04366	7.8
239.05569	3.0
239.09332	1.8
240.02884	1.1
248.03297	1.0
249.03995	2.2
263.05621	11.1
264.06027	1.1
265.03586	1.8
267.05099	34.2
268.05438	2.6
279.05042	2.2
281.06656	8.3
282.07434	0.8
293.06680	3.3
311.07721	2.0
329.08810	1.1
339.07205	3.0
357.08258	39.8
357.11841	2.3
358.08578	4.3
383.09589	2.5
401.06339	6.1
401.10950	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	401.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12141	1.4
55.68044	1.2
56.34923	1.2
56.53564	1.0
57.03472	1.6
59.01384	20.5
62.68306	1.2
66.99226	1.1
68.99831	7.5
69.03448	1.3
71.01389	14.1
71.27416	2.8
73.02942	1.9
74.16672	1.2
81.03461	6.3
83.01398	7.8
85.02953	4.2
87.00876	7.1
89.02437	14.8
93.03451	1.1
95.01404	2.0
95.05032	3.0
97.02950	6.9
101.02455	5.9
107.01405	2.9
107.05046	1.6
108.02161	5.9
109.02981	5.0
113.02460	6.5
119.03503	4.6
119.05048	1.4
121.02985	2.3
123.00890	3.4
123.04527	10.8
125.02448	11.7
137.02444	2.5
137.06056	6.0
138.03259	3.4
139.03973	1.8
149.02441	3.4
151.00407	1.7
151.03960	3.6
151.07591	2.2
152.01160	3.0
153.01970	5.6
153.05511	1.6
161.04547	1.9
164.04770	2.1
165.01961	1.9
165.05528	2.0
166.99826	1.3
167.03487	13.3
167.30251	1.2
169.56204	1.2
175.04083	1.6
179.03525	3.7
179.05644	7.2
179.07141	3.3
180.04167	1.6
182.02252	2.9
191.03549	2.6
193.01450	5.8
193.05025	4.9
195.02983	10.0
197.04567	7.8
205.01387	1.5
207.03018	7.0
208.03810	1.4
209.04562	12.6
219.02829	1.7
221.04469	3.0
223.06137	5.2
235.02522	12.1
237.04054	100.0
238.04443	7.1
239.05629	4.1
247.02654	1.3
248.93791	1.3
249.03957	2.4
251.05659	2.4
265.07150	4.9
267.05099	28.6
268.05399	2.3
279.05215	1.4
281.06662	8.7
295.08313	3.4
311.07678	4.0
329.08737	1.4
339.07318	3.0
341.10947	26.1
342.11157	2.1
357.08261	40.5
358.08621	3.0
401.06970	4.7
401.11438	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	401.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81910	0.6
57.86928	0.6
59.01380	1.0
67.01884	1.3
68.99817	9.2
70.72090	0.6
70.82581	1.7
71.01382	1.0
81.03457	4.5
83.01382	7.0
85.02959	1.3
86.34723	0.6
91.62986	0.7
93.03455	1.2
95.05029	4.1
97.02947	7.5
107.01395	2.7
108.02207	0.8
109.02936	3.2
119.05019	0.8
121.02951	2.0
121.31389	0.7
123.00894	0.7
123.04527	8.7
125.02470	7.9
128.76279	0.7
135.04564	1.2
137.02454	3.3
137.06061	3.4
139.03995	1.6
149.02502	1.2
149.06110	0.7
151.00362	1.3
151.04005	4.5
153.01909	3.5
163.03969	1.1
165.01851	1.7
165.05565	3.0
165.59560	0.7
167.03497	8.5
175.03973	1.0
179.03497	1.9
180.04320	2.0
191.03493	1.0
193.01399	4.5
193.05067	4.8
195.02979	10.3
197.04517	2.2
207.02936	5.6
208.03653	1.9
209.04562	8.8
219.03088	0.8
221.00908	2.1
221.04546	1.3
235.02516	13.5
236.02975	0.9
237.04051	100.0
238.04393	5.8
239.05586	0.9
240.02876	1.1
249.03993	2.3
265.03558	2.0
267.05103	32.5
268.05383	2.2
290.09512	0.8
297.06055	1.3
321.06122	0.8
326.27408	0.7
339.07129	2.6
357.08267	31.9
358.08710	1.8
401.07227	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	401.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
58.95858	0.8
59.01380	13.9
60.26428	0.8
60.99307	16.8
66.03496	1.2
70.84691	2.2
71.01387	7.3
72.99325	1.1
73.02951	3.0
75.00874	1.0
78.95893	0.9
83.00899	0.7
83.01374	1.5
85.02975	5.1
87.00887	1.6
88.98808	100.0
89.02445	10.8
89.99126	1.2
90.98614	0.9
96.96037	1.6
97.02947	1.7
99.00874	1.2
101.02448	4.5
103.04095	1.1
109.02973	1.0
113.02445	2.4
119.03481	1.6
121.02959	1.2
123.04517	1.3
125.02445	1.8
131.03502	2.5
135.04509	11.2
137.02429	1.4
137.06065	0.9
144.00372	0.8
149.02579	1.7
149.04555	45.7
150.04933	1.4
153.01952	1.5
161.02473	1.4
161.04527	1.9
173.97829	0.9
179.00188	1.3
179.03508	9.5
179.05708	0.8
179.07109	1.9
185.85445	0.8
191.91386	0.8
195.03044	1.1
197.08203	1.6
203.12755	1.3
237.04070	5.0
239.05447	1.6
239.09239	1.2
240.08722	1.7
267.05130	1.9
269.10242	2.0
311.07721	12.6
312.08261	1.4
315.07623	2.0
357.08478	1.9
365.18259	1.8
401.10413	1.3
401.18689	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	400.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
59.01379	9.4
61.98827	7.5
69.39600	2.8
69.40022	3.4
71.01389	3.3
81.03464	1.0
85.02946	6.3
87.00881	1.8
89.02437	2.0
93.03446	4.8
93.69320	0.9
98.20683	1.5
101.02430	1.6
109.02943	2.1
111.04546	1.2
113.02419	1.9
121.30368	0.8
127.04026	1.5
129.85957	0.8
133.02240	1.2
134.74332	1.0
135.04474	1.0
145.02907	1.2
163.03987	1.2
171.02960	1.3
173.04558	2.4
179.05637	1.3
187.07695	1.6
189.37222	0.9
191.05609	100.0
192.05888	4.2
192.26706	0.9
337.09186	13.9
338.09381	1.6
341.10922	1.8
400.12503	1.6
401.12476	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	400.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.2
59.01383	51.1
61.98830	36.5
63.79630	1.7
67.01895	3.5
68.27637	1.6
69.64832	8.2
71.01374	14.6
73.02957	9.6
83.01378	2.8
84.75137	1.6
85.02940	9.8
87.00862	2.0
88.98798	3.4
89.02443	9.4
93.03457	22.6
97.67290	1.5
98.20613	3.0
101.02445	13.5
111.00851	1.8
111.04522	4.8
113.02461	6.2
119.03504	3.6
119.05029	25.0
127.03966	1.9
136.04022	1.7
137.02403	3.9
145.02953	1.9
149.04555	2.1
155.03505	4.6
156.61586	1.5
161.04539	4.3
163.03975	16.0
173.04546	100.0
174.04874	4.3
179.05672	1.8
182.02148	2.0
191.05606	45.1
192.05995	3.1
197.04369	2.7
281.10294	11.7
299.11353	2.5
337.09286	43.1
338.09491	5.1
341.11734	4.9
401.12183	4.5
401.17801	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	399.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21159	0.9
55.02662	0.8
55.11541	0.9
59.01381	100.0
61.98833	1.5
66.78521	0.8
71.53345	1.0
72.72516	0.9
77.31431	0.9
79.44805	0.9
83.89255	0.9
84.76030	0.9
91.63632	0.8
195.69791	0.9
261.61984	1.0
399.22061	1.2
399.34943	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56138	1.0
55.37168	1.0
57.03439	3.1
59.01381	100.0
60.01707	2.4
61.98824	2.7
69.03479	1.9
69.18549	3.8
69.18964	6.6
71.01389	5.0
71.05020	1.6
72.99284	1.1
73.02942	4.4
77.41895	1.0
83.01419	0.9
83.05034	1.3
85.02959	10.9
87.00874	4.5
89.02451	11.1
95.05035	1.0
101.02478	2.2
103.04005	3.7
104.85767	1.0
111.00852	1.3
113.02441	1.7
125.02429	1.0
129.01912	3.5
131.03558	1.9
135.04535	2.0
149.04558	62.0
150.04967	2.3
158.25772	1.1
161.04573	1.3
161.13359	3.7
163.11375	1.3
187.11279	1.5
207.10072	1.4
223.13390	60.9
224.13718	3.6
267.12369	32.5
267.15463	1.9
268.12778	2.8
313.51154	1.1
355.08118	1.6
399.16562	72.8
400.16901	10.3
401.27594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.1
57.03448	4.0
58.00586	1.2
59.01381	80.5
60.01697	1.0
61.98824	2.2
69.03450	0.8
69.25756	1.4
69.26171	4.3
69.75343	0.6
71.01384	23.9
71.85383	0.6
72.99294	2.4
73.02950	8.8
75.00851	1.2
75.15644	0.6
76.28029	0.6
82.94819	0.6
83.01389	8.3
85.02953	20.8
86.00098	1.0
86.03266	0.8
87.00874	2.8
89.02449	4.4
93.03457	2.5
95.01391	2.6
97.02940	1.1
98.19843	1.2
99.00877	3.9
101.02440	16.3
107.05008	0.7
111.00882	1.3
112.01675	3.2
113.02444	11.1
119.03506	0.8
121.02951	5.5
122.03738	3.4
125.02462	1.4
129.69066	0.8
134.03761	0.8
135.04549	9.8
137.02449	5.7
143.03488	0.9
149.05998	0.9
151.03998	7.5
154.02808	0.9
155.10820	0.7
159.02962	1.0
161.04541	2.4
162.06870	1.1
163.07599	1.3
173.04591	0.7
177.05553	1.0
180.04272	2.1
180.07915	35.5
181.08508	4.4
191.05598	0.8
193.05101	1.1
193.08618	0.6
195.06667	3.3
195.10258	41.3
196.10599	2.8
199.09897	1.1
218.09222	0.6
221.04465	0.6
221.86937	0.7
223.09796	0.8
237.11427	0.7
264.09952	0.6
265.10831	0.8
279.04922	0.7
279.08975	0.7
281.06671	1.1
291.12253	0.8
309.13419	1.7
324.12299	3.3
339.14459	100.0
340.14767	12.0
357.15527	68.1
358.15945	7.1
399.08197	1.4
399.16528	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	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90385	0.9
55.01876	2.2
56.68093	0.8
57.03449	4.0
58.00562	0.7
59.01379	77.4
61.98830	4.0
67.01872	0.9
69.03461	1.1
69.36567	1.3
69.36973	4.8
69.98457	0.7
71.01383	24.4
72.20416	0.7
72.99312	1.7
73.02945	9.2
74.37151	0.8
75.00875	1.0
83.01379	8.1
84.29163	0.8
85.02951	21.5
86.00101	1.4
87.00880	1.9
89.02418	4.2
91.01900	1.0
93.03454	6.8
95.01374	3.0
99.00868	4.4
101.02440	19.0
107.05067	0.9
109.51125	0.9
111.00896	1.4
112.01675	2.6
113.01704	1.4
113.02438	12.2
114.31434	0.8
119.03446	1.0
121.02946	6.1
122.03736	2.9
125.02460	1.0
129.01991	1.0
134.03786	1.2
135.04529	7.9
137.02452	9.4
142.02692	0.7
143.03473	1.5
151.04027	11.3
155.10760	1.5
161.04553	2.1
162.06847	1.6
163.07661	1.3
177.05463	0.9
179.03531	1.0
180.04260	2.4
180.07916	35.5
181.08536	3.5
184.57526	0.7
191.05623	0.9
192.03926	1.0
195.06639	1.2
195.10258	34.8
196.10600	1.6
199.09718	1.7
209.04594	0.8
233.04535	1.3
251.12889	1.2
279.04962	0.9
281.06686	1.3
291.12781	0.9
309.13385	1.4
311.30273	0.9
324.12146	2.2
339.14453	100.0
340.14816	9.7
357.15527	66.9
358.15784	4.7
399.08240	2.2
399.12354	1.3
399.16782	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	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49695	0.7
57.03439	2.8
59.01380	100.0
60.01703	1.1
62.80748	0.7
69.43782	3.1
69.44194	1.8
71.01386	2.8
71.05013	1.2
73.02959	2.7
76.51027	0.6
87.00884	3.2
89.02441	17.8
90.08083	0.7
103.04010	2.0
113.65438	0.7
127.94539	0.7
131.03490	5.1
139.76764	0.9
149.04553	78.2
150.04904	1.6
161.09726	0.8
161.13347	2.6
163.11316	2.2
172.04781	1.0
176.91994	0.8
183.10326	0.9
187.11258	1.2
207.10199	2.0
223.13385	78.9
224.13699	5.6
258.14200	0.7
267.12381	25.0
268.12720	1.7
312.79205	0.7
399.16592	37.9
400.17236	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	399.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51315	0.6
51.93082	0.7
57.03442	2.3
59.01377	100.0
60.01711	0.6
69.41573	2.6
69.41986	2.7
71.01408	1.5
71.05024	2.0
73.02934	1.4
76.45369	0.7
83.05051	0.8
87.00877	3.0
89.02444	9.9
116.50736	0.7
131.03474	3.9
149.04553	47.6
150.04877	0.9
161.13336	2.8
163.11237	1.1
187.11259	0.8
205.12297	1.0
207.10240	1.7
223.13376	74.1
224.13733	4.1
267.12363	35.2
267.15253	1.3
268.12738	2.7
399.16562	38.1
400.16940	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	399.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97306	0.7
57.03449	2.9
58.99602	1.1
59.01380	70.2
59.87737	0.9
61.98840	3.9
69.25858	7.0
71.01390	5.5
71.05019	2.2
72.99287	0.9
73.02953	2.4
85.02943	3.8
87.00867	3.9
87.04545	0.8
89.02444	17.6
96.96060	1.2
101.02464	1.2
103.04002	0.8
111.00903	1.2
116.99400	1.3
117.00158	10.8
123.04533	5.9
131.03514	6.5
134.03853	1.7
141.56387	0.7
149.04553	100.0
150.04872	2.9
155.10832	1.3
160.71362	0.8
161.13438	1.2
163.11302	1.1
167.03516	1.7
178.12273	0.8
193.04994	1.6
197.11784	1.0
199.13376	1.5
205.01768	5.3
205.03410	1.2
205.12296	1.1
207.10338	1.3
223.13383	66.0
224.13705	5.2
246.64413	0.7
267.12390	13.3
268.12817	1.1
314.19705	2.0
361.18628	8.1
363.19308	1.1
383.83899	1.0
399.08163	1.4
399.12671	3.7
399.17294	6.9
403.83658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.2
59.01382	85.8
60.01720	1.2
69.31879	7.4
71.01373	3.6
71.05013	1.6
73.02931	4.0
75.00859	1.1
83.04984	1.4
85.02933	1.4
87.00880	3.3
89.02447	20.4
92.85523	1.0
103.03979	2.5
114.09801	1.0
123.98924	1.1
131.03528	5.6
149.04568	100.0
150.04933	2.5
161.13393	3.2
163.11270	1.8
223.13402	69.7
224.13794	6.3
261.42191	1.1
267.12396	20.3
277.21365	1.0
297.20352	1.1
399.16644	19.4
400.16980	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	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50956	1.2
57.03441	3.2
59.01376	100.0
64.28345	1.0
69.46459	7.9
71.05025	1.3
83.05008	2.5
87.00871	2.4
87.87787	1.0
89.02432	4.2
98.02492	1.3
98.20649	2.1
131.03488	1.4
149.04553	21.6
155.57837	1.0
161.09711	1.9
161.13332	4.2
163.11209	2.2
183.13611	1.3
191.05637	1.6
207.10201	1.7
223.13385	72.3
224.13675	5.0
230.25441	1.1
252.28133	1.1
267.12344	71.7
268.12683	6.1
353.13901	1.1
399.11508	1.9
399.16571	17.6
400.16946	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	399.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.3
59.01381	100.0
70.56149	1.5
70.56543	1.6
71.01382	2.1
71.05014	1.2
73.02952	1.3
83.05028	1.6
85.02945	1.4
87.00896	1.7
89.02434	5.2
98.12772	0.8
128.92059	0.9
131.03468	2.1
149.04561	28.6
151.07654	1.2
161.13364	2.5
163.11314	1.9
187.11169	1.3
191.43832	0.8
207.10216	1.7
223.13394	71.6
224.13774	3.9
235.65579	0.8
249.11154	1.1
267.12369	50.4
268.12762	4.8
399.16629	34.3
400.17035	3.6
400.23483	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59547	0.3
51.09429	0.3
51.76256	0.2
55.01872	0.4
57.03447	1.6
59.01380	26.5
60.01713	0.3
61.98821	0.7
69.81091	1.1
69.81498	0.7
71.01396	2.2
72.99292	0.4
73.02938	1.3
75.59140	0.3
82.68026	0.3
83.01383	1.4
85.02955	7.7
93.03479	0.6
98.20740	0.3
101.02464	1.0
106.91286	0.3
107.05032	2.3
108.02182	2.0
109.02934	0.4
109.36900	0.3
111.00902	2.6
112.46837	0.3
113.02469	0.6
117.91104	0.3
119.00673	0.3
119.05050	2.0
121.02956	1.3
123.00850	0.4
123.04518	3.8
124.01639	1.4
129.01917	2.8
134.03767	2.1
135.04535	8.8
136.05307	5.4
137.02448	0.4
149.02428	0.7
149.05986	0.4
150.03223	1.1
150.06705	0.3
151.04008	3.1
151.07655	3.7
152.42166	0.3
154.08531	0.3
159.03050	0.3
161.04544	0.6
164.04811	0.4
166.88351	0.3
166.99850	0.6
173.04550	1.1
174.04874	0.4
177.05545	0.7
191.05675	1.1
193.05078	0.9
194.05646	0.3
195.06627	100.0
196.06981	5.2
205.03523	2.5
223.04562	7.2
224.04796	0.4
226.75583	0.3
236.06448	0.7
251.11409	0.6
266.07428	0.4
266.67816	0.3
279.07098	0.8
309.08377	0.3
321.87692	0.3
339.10861	0.4
340.15524	0.7
399.13263	1.7
399.20337	0.4
411.02765	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
59.01376	11.7
59.91093	0.3
61.98838	1.0
65.03963	7.7
66.47598	0.4
67.01885	3.2
71.01385	1.8
73.02943	0.8
73.34248	0.4
75.00886	1.1
76.91560	0.3
77.30185	0.4
78.60518	0.3
85.02956	1.2
85.69616	0.4
85.85659	0.5
87.00874	0.7
89.02448	1.9
93.03474	1.1
94.40303	0.3
101.02436	0.8
101.06087	2.6
109.02948	100.0
110.03278	3.0
111.00873	1.0
113.02474	0.8
115.58949	0.4
123.00925	0.4
125.02459	0.4
130.08742	0.4
131.03476	0.8
133.02940	0.4
135.00873	4.7
135.04503	0.4
135.17462	0.4
137.02383	0.7
139.34154	0.4
149.04539	6.7
151.04048	0.5
153.01932	60.3
154.02275	2.6
173.04599	0.5
179.03525	0.6
191.05582	1.6
223.05554	0.4
223.11342	0.7
223.13365	6.1
224.13651	0.6
226.11913	0.4
267.12375	3.2
319.06360	0.4
399.12726	16.5
399.16644	1.6
400.13007	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	399.1295
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
52.21134	0.3
57.03446	0.4
59.01380	15.5
68.60453	0.3
69.64664	1.6
71.01389	1.1
71.05024	0.5
81.03468	1.1
83.05029	0.4
85.02941	1.8
87.00900	0.5
89.02451	1.2
91.26788	0.3
93.03477	1.0
93.06857	0.3
95.01391	0.8
101.02430	0.4
101.06074	2.9
107.05051	0.5
108.02169	100.0
109.02988	19.4
110.03278	0.7
111.00938	0.4
111.04449	0.4
113.02465	0.5
113.76476	0.4
121.02979	1.0
123.04517	1.0
131.03476	0.5
133.02954	0.8
133.23178	0.3
135.04541	0.7
149.04541	5.7
151.03967	1.4
152.01144	56.9
153.01936	17.4
161.13326	0.4
163.03938	1.2
165.01892	0.9
173.04492	0.6
179.03574	0.6
185.29295	0.4
189.76402	0.3
190.65672	0.3
191.05576	2.7
195.02979	0.4
223.13364	11.6
224.13701	0.8
267.12329	6.3
267.15509	0.6
268.12723	0.6
352.00925	0.4
399.12842	66.8
400.13181	7.2
419.45911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0933
Annotation	Linderofruticoside A
Peak:m/z	Relative Intensity
51.89502	1.0
55.01860	3.7
57.03452	18.2
59.01387	6.6
61.98829	3.0
64.66628	1.2
67.01887	1.6
69.56772	4.7
69.57189	1.7
71.01379	8.6
73.02956	1.4
75.00862	2.0
81.03457	3.9
82.61592	1.0
83.01394	22.4
84.02148	1.8
85.02955	100.0
86.03287	1.9
87.00882	2.7
93.03457	2.3
95.01410	1.3
95.05043	4.1
98.19966	1.5
101.02452	7.3
101.81769	1.2
107.01404	1.9
107.05004	2.6
109.02942	2.6
111.00886	35.3
111.04543	1.4
112.01217	1.8
113.02464	2.0
123.04530	10.4
125.02478	3.1
128.31453	1.2
129.01956	40.8
131.03488	2.5
134.03723	11.3
135.04532	2.5
137.02461	1.9
137.06104	3.1
139.03998	1.9
149.02373	1.4
149.06085	3.2
151.04002	5.7
161.04608	2.8
162.03223	2.8
163.04024	2.5
165.01933	2.8
165.05568	1.8
167.03543	11.5
171.41939	1.1
173.04630	1.9
175.03946	1.2
177.05533	3.0
178.02759	1.8
179.03540	6.1
180.04324	6.9
187.02525	1.5
191.03467	1.2
191.05626	3.6
193.01447	3.0
193.05107	9.9
195.03026	1.8
195.06638	20.6
196.06927	1.2
197.04570	4.1
205.01648	2.5
205.03522	26.9
205.05403	2.1
207.02986	3.3
209.04547	8.9
212.21262	1.1
217.98653	3.3
221.04579	2.5
223.04547	17.3
223.06473	1.4
233.04518	1.7
235.02477	3.4
235.06105	2.6
237.04057	3.5
239.05576	1.7
249.04031	4.1
251.05663	11.7
265.03281	1.3
279.05099	55.4
280.05453	4.3
281.06555	4.2
309.06195	22.3
310.06604	1.3
337.09351	1.6
381.08517	1.9
399.09354	60.2
400.09637	6.9
408.11337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.5
57.03449	18.0
59.01357	1.5
61.98813	1.2
67.01893	1.6
69.28102	6.1
69.28510	1.5
71.01389	6.1
72.99317	1.9
73.02948	2.5
75.00880	1.6
83.01386	9.2
84.02159	2.2
85.02953	100.0
86.03304	2.1
99.00843	1.5
101.02431	6.0
102.10604	0.8
111.00883	28.2
112.01218	1.2
117.03451	0.8
125.02423	1.5
129.01945	39.8
131.03503	2.3
134.03746	11.8
147.03067	1.1
149.06071	1.9
161.04532	2.4
178.02747	1.2
187.02489	1.5
193.03543	1.3
193.05060	8.7
195.06558	1.5
205.03520	26.5
206.03752	1.0
223.02495	1.6
223.04562	17.8
279.04941	1.3
399.09369	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	398.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52753	0.9
59.01070	1.3
59.01381	55.6
61.98832	100.0
71.01376	3.9
71.54509	1.4
74.54246	1.1
83.01363	1.2
85.02943	3.2
93.06502	0.9
101.02412	2.4
113.02408	1.5
119.05004	3.6
120.05405	1.8
122.02470	2.0
122.03780	1.2
149.02435	1.5
151.04012	2.4
161.04581	2.4
163.03859	1.0
193.08655	1.4
249.13298	4.8
251.11308	3.1
288.15494	1.2
291.14548	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	399.0461
Annotation	Bis(glycerophospho)-glycerol
Peak:m/z	Relative Intensity
51.32549	0.3
59.01382	1.3
61.98831	0.5
71.53235	0.5
78.95903	100.0
96.96003	1.0
96.96957	6.3
111.02052	0.4
112.98568	0.3
134.96133	0.3
136.93954	0.7
152.99582	8.6
163.98447	0.3
171.00638	62.2
172.00952	1.2
178.95001	0.3
197.03131	0.3
197.05119	0.2
201.02483	0.7
217.00366	0.4
227.03249	2.6
245.04312	2.9
250.74969	0.2
254.90541	0.3
255.86023	0.3
256.90387	0.5
256.92886	0.4
276.88589	0.7
306.99780	1.1
327.36450	0.3
344.76468	0.3
356.88028	0.5
399.04596	22.9
400.04935	1.6
412.33835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.5
61.98829	100.0
69.47350	2.5
71.01383	1.2
72.99310	0.6
73.02956	0.9
75.00822	0.3
75.70242	0.3
81.03455	0.5
85.02959	1.7
86.44789	0.4
90.11314	0.3
99.04518	0.4
101.02464	1.6
108.62855	0.4
113.02473	0.7
131.03528	0.7
134.03764	2.1
135.04092	1.4
149.02455	0.8
161.04578	0.6
164.04800	0.6
167.77042	0.5
175.03966	0.5
175.06155	1.4
182.29765	0.4
193.05141	1.6
193.07190	2.0
194.05463	1.7
200.55821	0.4
223.06178	1.0
249.13509	2.6
266.13934	0.7
291.14496	0.9
304.61514	0.4
399.13089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95533	1.4
59.01379	100.0
61.83751	1.5
61.98819	3.6
70.58735	1.6
70.59073	4.5
78.04781	1.7
80.47783	1.5
101.13641	1.4
102.81204	1.7
121.87328	1.7
141.12866	1.8
149.04541	1.5
167.10777	4.9
169.12440	1.8
181.51315	1.9
183.13893	4.7
184.01521	1.7
185.11830	10.8
187.11757	2.8
187.13396	49.9
188.13779	4.4
227.12851	15.8
312.17212	8.0
316.15787	1.6
355.24802	5.0
397.25989	8.4
398.26471	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	398.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
57.03440	4.0
57.82139	1.0
59.01380	100.0
61.98831	81.4
69.03474	1.8
69.76472	6.5
71.01379	26.4
72.99309	2.1
73.01140	1.2
73.02946	8.9
75.00867	1.4
83.01392	8.8
84.01736	1.2
85.02946	20.9
86.00122	1.5
87.00868	1.8
89.02460	5.8
91.01875	1.3
93.03454	7.2
95.01377	3.4
96.95975	1.2
98.20573	1.4
99.00883	3.4
101.02431	16.1
103.81359	1.1
107.05038	2.2
109.02928	1.6
111.00905	2.1
112.01680	1.5
113.02448	11.0
119.03526	1.6
119.05002	1.9
121.02939	7.0
122.03768	2.6
125.02509	1.4
129.01950	1.9
134.03772	9.3
135.04616	8.2
137.02473	13.4
137.09737	1.7
143.04652	1.9
147.04446	1.3
149.02448	6.3
149.06075	2.0
150.02795	3.5
151.04005	14.1
155.10741	3.2
156.11153	1.6
161.04526	1.2
162.06847	1.2
163.04018	4.4
163.07628	1.2
164.04482	4.4
175.03923	1.5
176.79163	1.1
177.05609	1.8
179.03525	1.2
180.04327	1.5
180.07932	28.3
181.08688	2.5
182.21539	0.9
189.01932	1.5
190.02206	2.6
191.03557	7.4
192.03854	11.9
193.05133	7.4
194.05365	7.9
195.10260	33.2
199.09758	3.7
200.10092	2.0
204.03961	2.6
205.05003	4.1
206.05412	4.5
223.06180	2.0
224.06410	3.2
233.04538	9.0
234.04863	22.8
235.05014	2.1
237.11511	1.1
249.13423	2.7
264.05936	3.2
277.03427	3.1
278.03906	12.8
279.08624	1.3
281.06628	3.2
288.14160	1.4
288.52628	1.1
309.13916	1.5
324.12015	1.8
339.14468	90.7
357.15515	57.1
357.19992	2.3
391.41022	1.2
398.08029	33.7
399.08405	3.7
399.16635	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	397.1866
Annotation	Cinncassiol E
Peak:m/z	Relative Intensity
50.51429	0.3
54.28555	0.3
56.02268	0.4
57.03431	0.4
58.00581	1.4
59.01384	2.7
59.53413	0.4
70.03175	1.6
71.01401	0.4
72.22726	0.4
80.98094	0.4
85.02959	0.9
87.04515	4.2
93.03424	0.4
94.32591	0.4
96.36229	0.3
111.00885	3.2
113.06094	7.3
117.03465	0.6
134.02727	0.7
134.03743	12.8
137.09718	3.9
138.00229	0.4
149.02361	0.5
149.06084	4.1
154.99924	0.4
160.01654	0.6
165.05534	1.7
165.82581	0.4
173.00931	1.2
175.03993	0.8
178.02701	1.6
181.08708	0.4
189.12860	1.2
191.05545	1.0
191.14388	1.3
193.05055	13.1
194.05394	0.7
209.06380	0.5
217.15927	0.6
219.17520	0.8
221.06784	0.4
223.06056	0.4
231.17477	0.4
233.19099	0.6
239.14444	0.6
243.17549	2.2
257.15451	12.4
258.15829	1.4
261.11292	8.4
262.11621	0.6
271.17050	0.9
273.18604	9.8
274.18893	0.6
275.16510	3.2
289.18149	1.2
291.19629	2.8
309.20670	4.3
335.18622	37.1
336.15750	0.4
336.19058	4.3
353.11719	0.7
353.19653	4.8
354.20065	0.4
361.16495	1.8
378.28830	0.4
379.17584	11.8
380.17880	1.3
397.10452	3.4
397.18643	100.0
398.19000	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	397.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.4
57.03447	5.6
58.00569	2.4
59.01381	67.1
63.11262	0.9
70.03536	4.5
70.21146	1.0
71.01385	75.7
72.01736	2.2
72.99332	2.3
73.02950	30.8
76.29211	1.3
76.83168	0.9
81.80712	1.0
83.00921	1.5
83.01388	21.8
85.02955	43.8
87.00869	3.7
88.98816	2.7
89.02450	22.8
95.01395	6.0
97.02928	3.1
98.20660	1.3
99.00887	12.8
101.02442	100.0
102.02789	2.2
113.02451	38.4
119.03522	8.1
125.02445	1.8
129.01936	2.2
131.03493	1.8
134.03752	8.0
143.03508	6.2
149.02473	1.0
149.06065	3.5
159.03032	7.1
161.04561	35.8
175.04050	1.1
179.05580	2.9
193.05028	6.3
233.04601	1.2
235.11862	78.8
236.12212	3.9
279.10938	1.2
292.66412	1.2
329.73819	1.0
337.18585	1.1
343.58810	1.0
397.17096	73.1
398.17303	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	397.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75068	0.4
59.01374	1.2
61.98824	1.0
71.01385	1.2
71.54774	0.7
83.01388	0.5
95.01344	0.9
107.79009	0.4
108.02169	2.7
109.02225	0.8
109.02956	12.8
111.00900	3.1
119.05000	0.5
121.02967	2.9
122.03735	6.0
123.00892	8.4
123.20712	0.4
124.01665	19.0
125.02469	0.8
134.03789	0.7
135.04506	4.3
136.01672	1.4
137.02443	58.1
138.02783	2.1
139.00365	1.0
145.03056	0.4
147.04501	0.9
150.03227	4.5
151.04047	0.5
152.01146	1.8
153.01938	4.4
154.02647	1.5
159.04482	0.5
160.05290	1.4
161.02461	1.6
161.06116	1.1
162.03212	9.5
163.04008	68.2
164.04382	3.2
165.01944	2.8
165.05537	1.3
174.03198	0.8
175.03986	6.3
176.04761	1.0
177.05608	0.8
177.09157	0.6
178.02612	0.6
179.03505	12.7
180.03978	1.2
188.04782	0.6
189.05582	2.3
205.05043	1.5
214.08928	0.4
219.06602	1.1
242.05936	2.1
242.34177	0.4
263.52786	0.4
297.07690	1.8
298.08487	1.6
327.08707	0.7
328.09509	100.0
329.09930	11.9
331.23648	0.4
342.13702	0.4
397.16547	10.0
398.16788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.1
61.98837	0.7
63.39725	0.4
69.36903	3.9
71.01389	0.6
71.16904	0.4
83.06328	0.5
85.02967	1.8
107.05052	0.6
109.02962	0.7
111.00883	2.0
117.77537	0.4
117.79989	0.4
135.04524	18.4
136.04832	0.8
151.79185	0.4
163.04008	100.0
164.04320	5.0
165.05545	1.5
173.00897	1.1
178.06351	82.5
179.06693	4.2
193.08688	99.8
194.09016	5.4
244.98904	0.5
265.10712	0.5
396.21292	0.5
398.12827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10820	0.6
57.03454	1.0
59.01383	9.2
61.98844	1.2
69.92894	3.0
71.01368	4.8
72.99296	1.0
73.02959	1.0
78.95925	0.7
85.02951	7.7
89.02444	4.0
93.03413	0.8
98.20597	0.8
99.91478	0.6
101.02462	2.4
101.06130	0.8
102.54459	0.6
107.05061	0.8
109.03061	0.6
111.00877	3.0
113.02461	2.1
119.03516	1.4
120.34031	0.6
121.02996	1.3
129.01921	4.6
134.03717	1.6
135.03497	1.3
135.04526	22.4
136.04852	1.0
147.03030	1.6
149.06111	0.8
159.79811	0.8
161.02426	0.6
161.04471	0.8
163.04013	93.8
164.04311	4.7
165.01875	0.6
165.04115	0.7
173.00815	0.8
173.04530	0.6
175.03964	0.8
177.12828	1.3
178.06361	80.3
179.03407	1.3
179.06725	4.9
193.08702	100.0
194.04622	1.3
194.09044	5.0
223.13385	0.9
246.44092	0.7
315.05466	0.9
317.05902	0.9
380.13989	0.7
397.14740	1.1
397.22644	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	41.7
61.98823	0.9
69.52325	1.0
69.52721	3.6
71.01383	2.1
71.05025	1.3
72.99314	1.5
73.02949	2.5
75.00881	4.0
79.34130	0.5
80.62401	0.6
81.03459	6.3
83.01366	1.1
84.02171	0.8
85.02943	1.7
87.00894	1.7
87.04543	0.7
89.03979	2.3
93.74732	0.6
99.00885	1.3
99.04519	16.5
106.04272	0.9
108.02187	1.0
111.00932	0.7
111.04528	0.7
113.02480	0.7
117.03478	7.7
118.79174	0.5
119.05052	0.9
121.02922	0.6
123.04529	3.1
125.02457	1.2
132.02173	1.2
133.02972	1.9
134.03741	100.0
135.04042	4.7
136.01585	0.7
137.02437	1.7
139.04021	0.6
143.03522	3.9
149.06081	12.6
151.04028	2.1
152.61469	0.5
159.64412	0.5
160.01656	11.1
160.02898	1.0
161.02032	0.6
161.04573	5.6
161.05894	0.9
162.03262	0.9
164.08067	0.5
175.04001	16.5
175.05525	0.9
176.04416	0.8
177.01921	0.9
178.02673	3.8
179.05568	5.2
190.06479	0.6
193.05054	89.1
194.05391	6.3
203.05576	1.0
205.08817	1.2
208.30951	0.6
219.06636	6.3
221.06679	19.3
222.06984	1.3
247.09717	1.3
249.07663	2.6
275.09167	4.8
284.19791	0.5
293.10294	17.7
294.10507	1.2
296.97327	0.6
319.07874	0.6
337.09286	5.3
355.10248	4.1
379.17755	0.6
397.11285	4.1
398.11945	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41117	0.5
57.87390	0.5
59.01381	14.0
59.07299	0.5
60.70268	0.5
61.98829	100.0
68.24316	0.6
70.54757	1.3
71.01391	2.0
73.02966	1.8
78.16478	0.5
78.41379	0.5
82.12921	0.6
82.23646	0.5
83.01400	0.6
85.02953	0.9
89.02449	2.0
101.02443	3.1
108.41035	0.6
113.02462	1.1
119.03555	0.6
119.05025	8.0
132.04547	0.6
134.03757	3.1
134.44633	0.6
149.31442	0.5
153.28123	0.6
161.04593	1.5
163.04013	7.0
185.90416	0.7
193.05109	3.2
232.06071	0.6
397.14771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
57.18494	0.8
59.01379	12.1
61.98832	12.2
71.01380	5.4
71.53968	0.9
72.01714	1.1
73.02944	3.0
81.03459	1.0
83.01394	2.2
84.04565	2.0
85.02961	5.7
86.03288	1.0
87.00886	2.1
89.02448	1.7
89.03947	1.2
93.03477	1.5
96.96037	1.5
97.02991	0.8
99.04536	1.2
101.02410	4.8
102.02774	1.7
108.02174	1.4
111.00882	3.8
113.02436	2.5
117.03481	7.5
119.04994	4.5
121.02951	9.9
122.02460	1.1
132.02194	1.5
134.03743	49.5
135.04573	1.1
136.04060	0.9
147.04535	5.1
149.02441	74.5
149.06055	4.4
150.02802	2.8
155.10802	2.3
161.02432	0.9
161.04536	2.5
163.04044	2.9
164.04787	55.9
165.05107	2.7
172.06143	1.1
173.00893	1.1
173.04582	1.5
173.09630	1.3
175.03972	1.8
179.07155	4.3
191.05637	5.3
192.67450	0.8
193.05048	53.9
199.09770	3.5
218.23553	0.9
221.06627	2.3
223.06113	100.0
224.06505	5.8
249.13475	3.6
250.13762	6.4
268.01447	0.9
276.05164	1.9
277.12894	1.0
285.15833	0.8
396.09427	2.3
396.19824	4.4
397.11438	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	395.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.4
61.98826	1.3
67.53561	0.7
71.01354	0.7
71.54317	0.8
74.75518	0.6
88.49953	0.6
94.25814	0.6
96.96033	0.7
105.21418	0.6
130.84988	0.6
135.02988	0.7
277.21710	100.0
278.22034	7.8
310.17285	0.6
311.16998	1.1
345.24445	0.8
377.26987	1.5
395.23972	1.5
395.28458	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15058	0.9
56.38828	0.9
59.01384	8.5
61.27784	0.8
61.98833	100.0
71.01386	1.6
71.09721	1.6
72.99300	0.9
73.02925	1.1
77.41942	0.8
79.59177	1.1
85.02966	2.4
93.03441	2.5
94.60801	1.0
95.01406	1.3
97.02962	6.4
101.02437	1.3
121.02944	5.6
134.03743	8.0
135.04582	1.9
136.41008	0.9
137.02438	18.2
138.02846	0.8
145.02934	3.4
147.84981	1.2
149.02489	1.1
149.06085	1.7
161.04543	1.0
165.01933	59.8
166.02267	2.5
173.04491	1.1
182.26649	0.9
191.05447	0.9
193.05046	7.8
197.04559	26.1
198.04912	1.9
203.15508	0.9
221.06618	2.9
242.00189	0.8
301.03537	16.8
302.03992	1.5
310.16681	1.2
333.06146	22.1
334.06430	2.1
355.10046	1.0
376.71866	1.0
397.15109	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
58.00589	2.4
59.01377	79.2
60.01698	1.1
61.98818	2.4
69.03459	6.0
69.50120	5.7
71.01379	64.8
72.01716	0.8
72.99300	2.7
73.02944	14.0
75.00862	3.1
79.01876	1.1
79.21090	0.7
81.03442	4.0
82.47474	0.7
83.01363	3.7
85.02951	6.7
87.00875	2.4
89.02442	100.0
90.02778	1.7
93.03415	1.3
95.01395	2.9
97.02950	10.3
99.00877	22.0
99.01538	1.1
99.04523	1.2
101.02443	26.5
101.06078	43.4
102.06413	0.9
111.00888	1.3
113.02450	6.3
115.03999	5.9
115.07651	3.5
119.03468	2.3
124.01515	0.9
125.02444	37.7
126.02798	2.1
127.04004	0.9
131.03499	11.3
143.03500	3.7
143.07127	8.4
149.03351	1.5
149.04550	27.2
150.04877	1.1
161.04561	2.2
173.04547	2.5
173.08200	2.7
191.05630	12.2
203.38147	0.7
213.01974	0.7
233.06651	19.5
234.07085	1.8
236.32693	0.7
275.07718	0.8
293.08771	35.5
294.09177	1.6
345.48871	0.8
349.18347	0.9
419.56009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26923	0.3
55.13847	0.3
55.40553	0.2
59.01376	2.4
59.59569	0.3
61.98822	0.5
69.17281	2.8
71.01384	0.5
77.88580	0.3
78.49434	0.2
85.02911	0.3
93.03440	1.1
98.19915	0.4
119.05022	100.0
120.05360	4.4
128.03520	0.4
131.05025	0.4
137.02403	0.4
147.04504	0.5
161.05995	0.4
163.03999	75.9
164.04330	4.1
191.05612	0.4
199.80424	0.3
203.67714	0.3
395.13132	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40092	1.2
59.01381	100.0
61.98820	8.6
63.88206	1.5
70.09953	6.4
73.02947	72.6
73.09573	1.5
74.03288	1.7
77.75570	1.3
81.00697	1.4
81.45084	1.5
82.71938	1.4
90.36837	1.6
98.20036	2.2
116.92831	1.7
117.17056	1.4
126.66537	1.7
184.24269	1.6
272.04895	1.5
352.28412	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	395.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	25.0
61.98817	17.9
63.92857	5.7
70.06601	19.6
70.06976	12.2
71.01367	9.3
72.99305	38.3
75.00877	53.6
85.02934	13.5
108.88518	6.1
115.00349	7.1
118.84098	6.3
163.86093	6.6
165.99014	7.5
174.98810	6.0
194.15236	6.7
222.42586	6.9
226.28552	7.3
258.01743	9.5
286.01157	13.1
301.03491	14.1
315.18930	41.7
315.69046	25.3
329.02985	48.5
330.03369	6.2
344.05414	42.0
359.07687	100.0
373.19348	10.9
373.69910	9.4
396.14597	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64200	6.7
55.36309	6.5
59.01378	100.0
61.98827	79.0
71.01388	48.4
71.54211	9.7
72.99322	9.0
73.02948	12.1
75.00874	10.7
85.02967	17.9
87.00866	11.2
87.04523	9.6
88.98801	14.3
89.02459	39.7
93.03500	8.0
96.96014	11.8
101.02438	33.3
103.00361	9.0
105.38509	6.9
113.02439	17.5
115.04040	8.8
119.03467	15.1
119.05051	9.0
125.02391	8.3
135.04439	9.5
137.02444	12.6
138.03104	10.1
145.05051	7.3
146.08211	8.4
161.04559	14.6
161.06058	8.0
173.04530	13.0
177.99628	13.6
179.05562	12.2
182.02312	11.5
189.05588	36.5
191.05582	16.5
197.04541	27.7
200.23862	7.3
221.98616	9.6
233.06712	14.7
234.11531	9.7
263.11224	9.4
281.92075	6.8
335.13287	9.9
359.09723	23.7
371.91901	8.0
395.10782	14.0
395.15558	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	394.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01379	29.6
60.01700	0.8
61.01807	1.0
61.98830	100.0
63.90864	0.5
66.32803	0.4
71.01389	1.6
71.54978	0.5
73.02934	1.2
80.23602	0.5
85.02954	4.0
86.03292	1.0
89.02460	1.3
96.96003	6.6
101.02437	1.2
113.02461	0.5
120.99648	0.5
147.03038	0.6
150.04897	0.5
191.02010	1.1
192.02347	0.7
235.57004	0.5
241.00258	1.4
279.12393	0.5
293.16104	1.5
335.17145	0.5
361.66385	0.5
395.06329	3.8
395.13715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.4
60.01726	0.8
61.98828	100.0
69.23716	2.6
69.24138	2.4
71.01368	2.1
73.02948	1.1
80.83524	0.6
85.02985	1.3
89.02448	1.6
93.03470	1.1
98.20758	0.6
99.00857	0.7
101.02467	1.3
106.06607	5.8
119.05022	1.7
150.05627	4.2
164.07198	1.0
173.04572	1.6
188.07149	1.3
191.05609	1.4
192.06725	0.6
194.04640	1.4
249.95563	0.6
263.09232	1.2
263.15033	0.9
279.26532	0.6
293.67389	0.6
296.07498	0.6
307.85034	0.6
352.20447	0.7
356.09970	2.7
363.88635	0.6
395.18723	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	394.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45848	0.5
59.01379	15.8
61.98830	100.0
70.44302	1.3
92.97565	0.5
100.01737	0.6
112.62389	0.6
125.07359	0.6
150.05632	2.4
202.21652	0.5
243.41525	0.6
271.02252	0.6
394.26031	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	394.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.8
59.01384	5.7
61.98831	100.0
66.40826	0.5
70.92173	1.0
71.01389	2.0
73.03000	0.5
76.85212	0.4
83.01395	1.0
84.02164	0.5
85.02950	11.8
86.03285	3.1
90.31405	0.5
90.48312	0.5
93.03471	0.6
101.02446	1.0
105.95473	0.4
111.00889	2.1
112.01258	0.7
125.02482	0.5
126.55737	0.4
129.01952	3.7
130.02313	1.2
161.02457	0.9
179.03503	0.5
187.13455	0.9
188.13808	1.5
205.03540	3.4
206.03909	2.0
231.03848	0.6
232.57822	0.5
232.99992	0.5
263.12949	0.5
394.17856	1.7
395.07474	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	393.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	62.3
68.12364	23.7
69.54082	100.0
69.54512	62.1
116.92850	35.8
168.27896	24.0
274.70486	28.0
378.62500	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03450	0.5
59.01377	100.0
60.01718	1.2
61.98828	4.0
71.01378	9.1
71.16291	0.4
71.54541	0.4
72.01725	0.5
73.02959	2.6
83.01385	2.2
85.02953	5.8
87.00877	1.0
87.89729	0.4
89.02444	2.3
93.03486	0.8
95.01411	1.1
96.63676	0.4
96.96024	0.8
97.02962	0.4
99.00935	0.9
101.02441	5.9
107.89517	0.5
111.00941	0.5
113.02454	5.4
114.02806	0.5
119.03513	0.5
123.11578	0.5
135.04541	0.6
143.03476	0.7
148.03990	0.6
159.03079	0.5
161.04594	2.1
163.03972	0.4
163.05344	0.5
167.03471	0.5
168.03981	0.4
173.04613	0.9
179.03499	0.5
180.25125	0.4
189.14932	1.6
191.05666	1.2
221.58757	0.4
272.25394	0.5
323.05432	0.5
330.09192	0.5
333.19174	11.3
334.19568	0.7
351.20221	9.7
352.20584	0.7
373.00027	0.5
393.06644	0.8
393.13852	1.3
394.06873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.98758	0.4
60.01703	1.2
61.98832	0.6
70.96935	1.0
71.01384	5.2
73.00109	0.4
73.02966	2.1
83.01398	1.4
84.25999	0.5
85.02958	4.2
86.03339	0.5
87.00909	0.7
89.02457	0.8
92.77866	0.5
101.02463	4.2
107.05051	1.2
111.00928	0.4
113.02480	1.8
115.34026	0.4
123.72572	0.5
123.99506	0.4
125.02513	0.7
129.01974	0.5
135.04626	0.5
159.02965	0.5
161.04605	3.4
163.50798	0.4
175.47192	0.4
195.06673	1.5
221.06999	0.4
263.09390	0.6
333.19189	15.7
334.19696	1.3
351.14752	0.5
393.16394	0.5
393.21222	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
57.03444	2.9
58.00594	0.8
59.01377	57.8
60.01702	0.6
60.71937	0.5
61.56046	0.5
61.98824	2.3
62.09604	0.5
69.03446	1.4
71.01380	45.0
71.53766	0.8
72.01719	1.1
72.99307	2.3
73.02946	23.7
73.03360	1.2
75.00887	1.0
78.44896	0.5
80.96574	0.6
81.03450	0.8
83.01382	8.7
85.02946	21.5
86.00100	0.8
86.03259	0.7
87.00882	2.3
89.02452	8.3
93.03424	0.7
95.01383	3.0
96.95996	0.9
97.02960	1.9
99.00882	7.9
99.04461	0.5
99.08130	0.8
99.83808	0.6
101.02442	41.5
102.02747	1.0
102.30678	0.5
106.69495	0.5
111.00910	1.4
113.02448	20.1
115.03999	1.3
119.03537	0.7
125.02438	3.0
129.01923	1.5
131.03491	2.3
141.01895	0.9
143.03502	2.3
147.24281	0.5
149.04521	1.3
159.02998	3.3
161.04555	18.3
162.04840	0.9
175.04027	0.7
175.46455	0.6
179.03569	0.6
191.05623	2.1
205.03392	0.9
233.06566	1.7
261.13419	61.6
262.13828	3.6
268.06036	0.6
333.19275	2.7
334.19739	0.8
351.20123	2.3
393.17642	100.0
394.17987	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	393.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86524	0.5
55.01884	0.7
59.01379	100.0
60.01720	1.2
61.98829	3.3
62.50127	0.5
65.33472	0.6
71.01382	8.4
71.54112	1.0
73.02946	3.7
83.01410	1.7
85.02953	5.8
87.00885	0.9
89.02450	1.3
96.96024	0.8
99.00880	1.5
101.02443	5.2
102.78812	0.5
113.02449	3.8
135.04532	0.7
137.46748	0.5
143.03479	0.9
158.27333	0.6
161.04568	1.4
173.04652	0.9
186.63516	0.5
189.15048	1.9
191.05687	1.1
192.02957	0.6
209.48595	0.6
243.46347	0.7
261.13452	1.0
269.18988	0.7
273.04462	0.9
333.19174	10.3
334.19479	1.1
351.20221	8.2
393.13101	8.6
394.13556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65038	0.8
51.93247	0.7
55.01882	2.1
57.03451	13.8
59.01381	34.0
60.88193	0.9
61.98838	4.8
68.99804	1.2
71.01384	5.6
71.54869	1.2
72.99302	1.3
73.02940	1.8
75.00874	1.4
77.97464	0.9
78.73936	0.9
83.01387	3.2
84.02142	1.7
85.02953	100.0
86.03269	2.0
87.00877	2.0
89.02437	1.7
101.02425	2.0
102.98564	2.4
103.00380	2.3
111.00877	3.5
113.02399	1.5
114.83164	0.8
120.99609	1.3
129.01949	12.2
139.11250	2.4
147.03001	13.7
148.27196	0.9
173.00883	3.2
185.11792	2.3
191.01978	45.1
192.02252	2.1
201.11281	4.9
209.03062	2.2
375.12802	2.4
393.14014	15.0
393.19739	0.9
393.21283	1.1
394.14297	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	392.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11607	0.3
59.01369	1.0
61.98832	100.0
69.72254	1.8
70.16350	0.3
87.53182	0.3
122.88552	0.3
126.27949	0.3
273.35574	0.4
288.10272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	18.5
61.98827	100.0
68.97396	1.2
71.37559	1.4
71.55364	1.5
89.91144	1.1
113.56568	1.4
121.02909	3.5
209.35959	1.4
218.75690	1.5
228.96793	1.3
249.72168	1.8
392.04089	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.8
59.01381	38.1
60.97652	1.2
61.98830	6.7
69.03470	3.4
71.01380	8.9
71.02132	2.9
72.99295	3.7
73.02922	2.1
78.43689	1.4
79.95742	4.9
83.01385	1.6
85.02947	22.4
87.75221	1.3
88.98801	2.6
89.02450	4.1
91.00401	1.6
95.01385	11.0
95.03819	1.5
96.96014	2.2
99.00903	1.3
101.02437	2.9
108.02177	31.1
108.48871	1.2
109.02954	100.0
110.03290	3.1
113.02452	1.6
113.99876	1.3
123.00891	11.3
147.03052	1.4
148.51053	1.5
151.04024	5.4
161.04631	2.1
167.30438	1.3
191.01939	3.7
193.04919	1.6
203.05617	6.4
242.08197	1.6
253.07074	1.9
275.11737	1.4
313.09238	10.1
393.04721	3.0
393.13589	1.8
393.17947	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	392.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54856	2.1
57.03450	2.8
59.01382	67.4
61.98833	19.6
69.52062	10.3
71.01370	5.3
73.02941	2.9
81.03437	2.9
83.01376	2.6
85.02950	14.2
89.02430	2.8
95.05031	8.4
101.02409	3.5
109.77652	1.6
111.25823	1.6
123.04514	11.1
125.02469	11.4
126.19150	1.6
137.02390	2.2
137.06096	9.2
139.37843	1.9
139.54449	2.0
165.05585	4.1
167.03500	34.3
179.03416	5.3
191.01930	6.0
191.05586	6.5
197.04507	2.7
209.04549	100.0
210.04868	3.2
239.05565	18.6
247.52792	1.6
303.70224	1.7
311.07745	2.1
329.08810	22.1
330.09061	3.5
392.15958	2.5
393.13474	2.4
393.17651	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	392.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77689	0.2
59.01368	0.3
61.98828	100.0
62.60006	0.3
64.46317	0.3
69.89302	1.1
76.61930	0.3
96.27036	0.3
123.04493	1.3
125.02460	0.4
167.03479	5.5
167.04750	0.4
329.08676	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
58.60139	0.3
59.01381	14.7
60.01713	1.2
61.98829	100.0
62.98527	0.4
69.30534	2.9
71.01381	2.4
72.01741	0.4
73.02945	0.9
81.03459	0.5
83.01385	1.2
85.02952	5.0
86.03290	1.4
87.00874	0.4
89.02461	1.5
93.03450	0.4
98.19927	0.8
101.02450	1.4
112.04021	0.3
113.02428	0.6
118.72414	0.3
119.03543	0.5
123.04517	8.0
124.04845	0.4
125.02478	0.9
129.01921	0.5
147.02972	0.4
151.04034	0.4
159.31204	0.4
167.03488	31.2
168.03844	1.9
179.05707	0.4
179.90504	0.3
181.05063	0.9
191.01974	0.7
191.03508	7.9
191.05600	1.0
192.03871	0.5
192.06024	0.5
209.04518	3.3
221.04582	1.0
230.01952	0.3
311.07733	0.4
329.08777	15.3
330.09119	1.6
349.18649	0.4
350.19171	0.9
354.09308	0.4
391.19507	0.5
392.12891	0.4
392.20212	1.9
393.15274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83758	0.4
57.01612	0.5
58.29582	0.4
59.01378	4.9
61.98829	100.0
71.01392	1.4
71.53462	0.5
76.94405	0.5
82.84668	0.4
85.02965	2.5
88.04032	0.7
89.02424	0.5
101.02445	0.7
108.02148	0.7
109.02955	3.3
123.04519	4.8
123.10477	0.5
147.03073	0.6
149.02434	1.3
167.03514	1.2
187.81258	0.5
191.05713	0.9
261.92603	0.5
325.15286	0.5
329.08853	4.3
393.17685	0.8
410.41132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46621	1.0
55.47064	1.2
57.03446	1.6
59.01381	40.0
61.98835	28.2
64.09991	1.3
64.13326	1.3
69.70518	3.0
69.70928	4.5
71.01389	7.2
73.02959	1.8
79.05541	5.9
81.03452	5.5
83.01400	3.0
85.02959	12.2
86.03307	1.7
89.02457	4.2
93.03473	1.5
95.01405	3.8
101.02451	3.6
105.03504	1.6
108.02173	9.0
109.02960	26.5
111.48220	1.1
113.02441	4.1
114.81342	1.2
119.05000	1.8
123.00928	1.5
123.04532	95.6
124.04877	4.3
149.02461	19.8
155.36308	1.3
161.04559	2.3
166.71051	1.3
167.03488	15.4
181.05104	1.9
188.09621	1.6
191.02008	1.5
191.05635	3.7
200.03514	1.6
203.05557	2.3
218.04727	2.0
253.07004	1.3
313.09244	3.0
329.08777	100.0
330.09100	9.2
332.13559	2.0
393.04974	3.7
393.17725	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	392.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.1
61.98830	11.7
68.31030	2.0
70.08756	8.8
72.90221	2.3
81.03423	4.1
83.01373	2.7
85.02955	8.1
93.03466	2.1
95.03563	2.3
95.05029	8.6
95.96902	2.0
98.19930	3.0
99.04510	2.3
101.02430	2.1
123.04520	8.6
125.02483	12.3
137.06094	10.9
139.03931	2.3
147.76451	2.4
165.05545	3.1
167.03497	33.4
179.03511	4.3
181.05089	2.7
191.05595	5.5
192.05966	2.3
193.04973	3.3
200.03532	2.7
209.04543	100.0
210.04890	7.1
221.04417	2.3
236.06789	2.0
239.05585	22.0
257.33118	2.1
304.98575	2.2
329.05222	3.4
329.08728	27.2
393.12021	2.2
393.17157	2.8
398.45685	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98845	11.5
66.06241	4.3
71.30191	5.6
73.69498	4.5
90.93415	4.8
121.66523	4.3
128.37958	5.5
152.99585	12.4
255.23305	59.1
391.22272	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	392.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26517	0.4
59.01375	6.3
61.67457	0.4
61.98832	100.0
62.97390	0.4
70.08309	1.7
71.01386	0.4
85.02957	2.3
89.02464	0.6
91.80948	0.4
94.11694	0.3
101.02523	0.4
111.04496	0.5
143.04605	0.5
173.04584	0.5
175.11522	0.4
191.02036	0.8
223.93787	0.4
233.00629	0.4
329.08929	0.5
392.16199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89295	20.0
53.21868	17.3
64.17699	18.8
69.53103	100.0
69.53524	45.5
75.04261	24.3
249.19321	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
56.34705	0.6
57.03447	1.5
59.01383	100.0
60.01719	1.5
61.98839	0.9
66.03486	0.7
69.38377	4.4
69.38797	1.3
71.01389	17.3
73.02957	5.3
73.22363	0.6
79.63789	0.6
83.01406	2.3
85.02954	13.0
85.03465	0.7
87.00900	0.9
88.98587	0.6
89.02448	8.8
89.68658	0.6
95.01397	1.6
97.02961	0.8
99.00900	1.7
101.02446	16.5
110.02499	0.9
113.02444	9.8
113.03168	0.8
119.03482	3.4
126.99583	1.0
129.01964	1.3
137.91919	0.6
141.02298	0.6
141.79958	0.7
143.03490	1.4
147.03047	0.7
159.02994	1.8
161.04558	18.3
179.05641	2.0
191.02032	1.4
205.03603	1.4
261.19019	0.7
262.62881	0.6
273.96872	0.7
331.17612	34.7
332.17932	3.8
349.18835	1.5
391.19766	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48642	0.4
55.01889	1.2
56.77868	0.4
57.03449	4.9
58.00594	0.9
58.28650	0.4
59.01379	100.0
60.01717	1.6
61.98832	14.0
69.71140	1.4
69.71579	1.5
71.01379	18.4
72.99318	1.5
73.02947	10.0
78.75690	0.4
81.03462	0.5
83.01389	4.1
84.02155	0.6
85.02950	27.8
86.03293	1.1
87.00895	1.5
89.02444	14.1
91.68095	0.5
95.01424	1.2
99.00893	0.8
101.02441	14.3
111.00888	1.4
113.02451	7.7
119.03491	5.6
119.04942	0.4
123.04549	0.9
125.02452	0.5
129.01949	3.8
131.03532	1.2
141.65979	0.5
143.03520	1.4
147.03012	1.7
149.04620	0.5
155.10872	0.9
159.02983	0.5
161.04553	5.4
167.03494	3.5
179.05559	3.3
185.11835	1.5
187.13396	4.8
191.02014	6.0
191.03575	1.4
191.05585	3.4
201.06584	0.5
205.03467	2.3
211.13446	1.9
216.08920	1.7
223.04660	0.4
244.08543	0.7
253.14455	0.6
329.08688	2.0
331.17612	3.3
349.18652	13.7
350.19131	0.9
353.09018	0.7
391.12421	1.1
391.15970	0.5
391.19922	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03452	4.2
58.00602	0.7
59.01381	100.0
60.01715	1.3
61.98832	18.3
69.03459	0.6
69.22237	3.3
71.01385	18.8
72.99310	1.6
73.02950	9.6
75.00880	0.7
81.03484	0.6
83.01396	3.2
84.02187	0.7
84.98199	0.4
85.02954	25.6
86.03301	0.8
87.00916	1.4
87.04529	1.1
89.02443	15.0
91.88523	0.4
95.01415	1.3
98.19932	0.7
99.00886	1.4
101.02444	16.6
101.06107	0.8
111.00900	1.6
113.02454	9.0
118.63296	0.4
119.03512	5.9
123.04524	1.2
125.02469	1.2
129.01959	4.1
131.03500	0.9
140.72888	0.4
143.03491	1.9
147.02962	2.0
149.04587	1.0
155.10771	1.0
159.02979	0.4
161.04553	5.2
167.03493	5.4
167.56532	0.4
173.00986	0.4
175.72278	0.4
179.05637	3.3
181.05063	0.5
185.11859	1.7
187.13377	5.0
191.02016	6.1
191.03601	1.9
191.05557	4.4
197.98209	0.4
201.06592	0.8
203.05710	0.5
205.03506	2.2
211.13396	1.0
216.08929	1.7
218.33824	0.4
222.65863	0.4
229.14520	0.4
244.08427	0.9
253.14841	0.6
329.08868	3.4
331.17599	3.6
349.18671	16.5
350.19147	1.5
353.08807	0.5
391.06293	0.4
391.12967	1.4
391.15433	0.7
391.19824	3.5
392.20294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.0
58.56864	0.7
59.01377	100.0
60.01709	0.7
61.98831	1.1
67.01909	0.7
68.98651	0.8
71.01382	20.1
71.05040	0.7
71.54533	1.2
72.99314	1.0
73.02946	6.7
81.07097	1.1
83.01382	2.1
85.02950	7.1
86.00073	0.7
87.00893	3.4
89.02443	13.2
93.03474	1.6
95.01402	1.9
99.00902	2.4
101.02435	14.7
101.06107	1.8
113.02446	9.1
119.03506	5.5
129.02155	0.7
135.04576	1.5
143.03505	1.8
157.12376	1.5
159.03020	1.8
159.06599	4.9
161.04550	13.4
169.12349	1.2
173.04596	1.3
179.05649	3.6
187.13443	1.5
191.05696	2.2
249.09863	2.4
268.73047	0.8
277.21402	0.9
313.16629	1.3
331.17596	11.4
332.18082	1.0
349.18597	5.5
349.22366	0.9
391.15060	1.3
391.19360	5.6
391.27130	18.1
392.20181	1.1
392.27658	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01720	1.0
64.91756	0.4
69.28096	1.2
69.28509	2.5
71.01377	3.9
72.99313	0.5
73.02959	0.5
77.97388	0.5
83.01379	0.6
85.02957	4.7
87.00887	0.6
89.02446	6.4
96.95990	0.5
101.02443	3.0
109.02949	0.6
113.02451	2.5
119.03542	2.8
137.02470	0.5
143.03462	0.6
147.02977	0.7
161.04607	0.9
179.05669	1.8
191.02074	1.1
281.06891	0.5
331.17844	1.7
377.04239	0.4
391.10730	0.7
391.19717	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
57.03441	1.0
58.00596	0.6
59.01378	53.1
60.01703	0.5
61.98820	1.6
65.90204	0.6
68.46234	0.5
69.03447	1.4
70.55376	1.2
70.55746	0.5
71.01376	19.9
71.22380	0.5
72.80860	0.6
72.99301	1.6
73.02946	3.9
75.00848	0.7
79.34652	0.5
81.03476	0.8
83.01397	3.9
83.18567	0.5
85.02947	7.1
86.00111	0.8
87.00880	4.7
89.02438	3.9
93.03469	1.2
95.01389	1.3
97.02959	0.8
99.00871	1.7
101.02435	9.7
111.00916	1.2
113.02449	5.4
115.00351	0.8
119.03471	1.5
124.01680	0.8
125.02431	1.6
129.01906	0.5
135.04517	2.0
141.12859	7.0
158.03247	0.5
161.04521	1.5
169.12299	1.5
173.04550	1.0
179.03496	0.9
187.13382	45.5
188.13701	2.3
191.05592	3.7
199.13364	1.2
201.14973	1.2
209.11823	1.0
213.14980	0.6
229.14455	1.1
295.55853	0.5
327.91122	0.5
331.17599	23.9
332.17987	1.9
349.18634	66.2
350.19049	7.2
391.19702	100.0
392.20090	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31169	0.4
54.61850	0.4
55.89695	0.4
57.03454	0.6
58.00562	0.5
59.01378	100.0
60.01705	0.9
64.50643	0.4
69.41740	3.3
71.01377	7.0
73.02946	2.6
83.01406	1.0
85.02950	3.7
89.02448	1.2
95.01369	0.9
99.00890	1.2
101.02432	5.7
106.06642	2.0
113.02431	3.1
124.07157	0.5
137.02321	0.5
150.05621	1.3
159.03012	1.3
161.04536	9.1
192.14627	0.5
275.13330	0.5
331.11893	0.9
331.13379	0.9
331.17581	13.8
332.18030	1.3
356.09937	1.1
382.47858	0.5
390.84424	0.5
391.19797	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95053	0.6
59.01379	100.0
60.01706	1.0
60.35866	0.6
69.19781	0.5
69.21844	3.0
69.22268	2.2
71.01384	2.9
73.02963	1.1
74.03651	0.5
81.99175	0.6
85.02965	1.0
89.02443	0.8
90.58282	0.6
94.22350	0.6
98.19926	1.1
101.02462	1.4
113.02453	1.0
127.86739	0.6
161.04605	2.3
179.40222	0.6
331.17792	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01380	100.0
60.01741	1.3
61.98838	1.6
62.23214	0.7
62.35342	0.7
69.25959	1.1
69.26361	6.3
69.96272	0.8
71.01382	18.1
72.57996	0.7
73.02950	4.5
83.01405	2.4
85.02951	7.6
87.00887	2.1
89.02441	8.7
95.01418	0.8
99.00913	2.2
101.02436	13.5
101.03017	1.1
107.94476	0.9
113.02441	8.0
119.03494	3.8
125.02499	1.2
131.03500	4.8
135.04604	0.9
143.03490	1.8
149.04582	0.8
159.03020	1.6
161.04562	15.1
179.05643	2.0
191.05646	0.8
221.06631	13.2
221.21992	0.8
278.87131	0.7
291.33392	0.8
331.17627	8.9
332.17816	0.9
357.21423	0.8
360.43558	0.8
391.27039	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03448	0.8
58.00594	0.5
59.01378	100.0
60.01722	1.2
61.64875	0.4
69.20733	3.8
69.69844	0.4
71.01381	9.0
73.02952	3.0
83.01406	1.5
85.02950	4.5
89.02443	2.8
95.01387	0.8
98.19844	0.7
99.00906	1.1
101.02437	7.3
107.04417	0.4
107.05020	2.2
113.02452	3.6
119.03497	0.9
129.02023	0.5
129.19177	0.5
135.04568	0.5
143.03531	0.7
159.03053	0.9
161.04546	7.9
191.05580	0.5
192.65376	0.4
223.77211	0.4
275.09525	0.4
331.17645	10.0
332.18021	1.1
349.18814	0.4
391.19742	10.4
391.27487	1.4
392.20212	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
57.03445	1.3
58.00601	0.9
59.01377	100.0
60.01711	1.2
61.98832	4.0
69.03453	1.1
69.15305	0.4
71.01379	23.8
71.05045	0.4
71.54522	0.5
72.99319	1.5
73.02946	12.6
78.95924	0.3
82.59988	0.4
83.01385	3.5
85.02950	7.7
85.03464	0.5
87.00892	1.2
87.04514	1.3
89.02441	12.6
95.01376	2.0
97.02920	0.5
99.00883	1.6
99.04535	0.7
101.02442	17.4
101.06078	0.5
102.02805	0.5
111.04510	0.5
113.02447	14.3
114.02788	0.4
119.03490	4.5
125.02473	0.8
131.03532	0.8
143.03522	1.7
149.04582	1.3
158.63715	0.3
161.04556	5.4
162.04945	0.5
179.05641	1.5
185.11777	0.5
187.13377	6.9
191.05589	2.5
197.04558	0.4
216.08888	1.0
229.14445	0.7
244.08507	0.6
282.06595	0.4
297.08823	0.6
331.17612	12.0
332.18030	1.2
349.18646	16.1
349.22946	0.8
350.19025	1.7
366.26144	0.4
391.14929	0.9
391.19812	6.6
392.19736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54495	0.5
55.01876	4.8
57.03448	14.1
57.80425	0.5
59.01379	70.5
60.01692	0.9
61.98821	1.1
67.01899	1.2
69.57726	3.4
70.70020	0.6
71.01376	8.6
72.99306	1.5
73.02945	3.1
75.00877	2.1
83.01385	7.9
84.02165	2.1
85.02950	100.0
86.03286	2.8
87.00888	0.6
89.02449	1.3
98.58910	0.5
99.00878	1.1
101.02437	4.1
104.65887	0.6
111.00881	19.7
112.05148	0.5
113.02468	1.3
129.01942	31.8
130.02290	0.8
147.02916	0.6
155.10759	4.8
161.04530	7.4
185.11813	8.7
186.12117	0.8
187.02448	1.5
191.01947	2.1
196.77180	0.6
205.03520	33.5
206.03900	1.3
223.04613	1.2
253.14377	3.0
331.17526	3.4
368.41241	0.5
391.15775	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	391.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05542	0.5
55.01880	3.9
55.25188	0.7
57.03452	15.1
59.01379	6.6
61.98836	0.7
67.01871	0.9
70.11026	2.7
70.11417	1.2
71.01379	5.4
72.99307	1.3
73.02932	1.4
75.00870	2.2
76.11462	0.7
83.01391	7.5
84.02165	2.6
85.02953	100.0
86.03284	2.7
99.00811	1.0
101.02454	3.0
111.00885	18.5
115.07655	0.7
129.01952	30.2
130.02289	1.2
161.04564	4.6
177.04077	0.9
185.11826	14.2
186.12210	0.7
187.02455	1.3
191.02002	1.5
195.23737	0.8
205.03531	35.0
206.03954	1.1
217.19421	0.7
223.04710	1.9
253.14449	2.6
312.95157	0.7
373.15076	0.9
391.16046	9.9
391.20346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.6
57.03448	13.2
58.00593	0.8
59.01381	81.8
60.01729	1.6
61.98824	3.4
68.99814	1.0
69.30572	4.6
71.01379	14.6
72.99303	1.9
73.02937	5.9
75.00881	1.6
76.70313	0.6
81.03458	0.6
83.01382	4.2
84.02172	3.1
85.02953	100.0
86.03302	2.4
86.73872	0.6
87.00858	1.8
87.04488	0.6
89.02437	4.8
95.01402	0.9
98.19901	0.8
99.00876	1.7
101.02438	11.6
102.13342	0.6
103.00361	1.4
111.00861	2.7
113.02448	6.6
119.03505	1.7
125.02419	1.8
129.01950	9.6
135.04424	0.6
137.09688	1.0
139.11288	0.7
145.01360	0.6
147.02997	11.6
147.74995	0.7
155.10785	4.1
159.02997	1.1
161.03487	0.6
161.04559	8.4
162.04874	0.8
167.10770	3.3
173.00861	1.4
179.05592	0.9
187.13466	1.3
191.01979	35.1
192.02295	1.2
199.09641	1.5
205.03493	1.4
209.02907	1.7
211.09634	2.1
234.65732	0.6
271.05231	1.6
331.07263	0.9
331.17590	8.4
349.18372	2.1
373.11319	1.3
391.12396	9.0
391.19446	9.8
391.23367	1.6
392.12778	0.7
392.19690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30412	1.3
57.03448	4.8
59.01380	34.9
60.99310	12.6
61.98833	18.2
71.01389	6.7
71.53918	1.6
71.54308	1.6
72.99300	1.8
73.02945	2.5
74.00701	1.6
75.00871	17.1
78.95927	1.5
83.01398	1.8
85.02957	35.1
87.00878	3.7
88.00407	2.0
88.98807	100.0
89.02444	57.5
90.01983	3.7
96.63811	1.6
96.96962	3.9
99.00886	2.6
101.02451	4.3
111.04579	1.6
113.02456	2.4
123.04530	2.6
124.01680	2.1
128.55080	1.4
129.01918	4.5
129.32074	1.6
134.03763	4.8
135.04504	8.3
139.04105	1.5
141.05574	2.6
147.02975	4.9
149.02440	2.7
150.03232	1.6
153.01941	4.0
161.04555	2.3
173.04483	2.4
179.03502	4.6
191.01956	10.0
191.05640	12.8
195.08443	1.6
199.50139	1.6
216.99097	10.8
259.08060	1.7
262.96484	6.1
391.04291	14.1
391.12384	4.6
391.16461	3.9
399.11771	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	391.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.6
57.03448	13.2
58.00593	0.8
59.01381	81.8
60.01729	1.6
61.98824	3.4
68.99814	1.0
69.30572	4.6
71.01379	14.6
72.99303	1.9
73.02937	5.9
75.00881	1.6
76.70313	0.6
81.03458	0.6
83.01382	4.2
84.02172	3.1
85.02953	100.0
86.03302	2.4
86.73872	0.6
87.00858	1.8
87.04488	0.6
89.02437	4.8
95.01402	0.9
98.19901	0.8
99.00876	1.7
101.02438	11.6
102.13342	0.6
103.00361	1.4
111.00861	2.7
113.02448	6.6
119.03505	1.7
125.02419	1.8
129.01950	9.6
135.04424	0.6
137.09688	1.0
139.11288	0.7
145.01360	0.6
147.02997	11.6
147.74995	0.7
155.10785	4.1
159.02997	1.1
161.03487	0.6
161.04559	8.4
162.04874	0.8
167.10770	3.3
173.00861	1.4
179.05592	0.9
187.13466	1.3
191.01979	35.1
192.02295	1.2
199.09641	1.5
205.03493	1.4
209.02907	1.7
211.09634	2.1
234.65732	0.6
271.05231	1.6
331.07263	0.9
331.17590	8.4
349.18372	2.1
373.11319	1.3
391.12396	9.0
391.19446	9.8
391.23367	1.6
392.12778	0.7
392.19690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.2
61.98830	100.0
65.37729	0.3
69.68654	1.9
71.01391	0.3
77.16172	0.3
98.19933	0.3
225.26082	0.3
235.51605	0.3
327.21597	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	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38835	0.6
61.98828	100.0
64.24154	0.6
72.32043	0.5
94.08184	0.6
98.19919	1.3
106.98641	0.5
229.04767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
57.03445	5.4
59.01380	100.0
60.01727	2.0
61.98834	2.8
65.00323	1.3
67.28578	0.7
71.01383	13.9
71.53262	0.7
71.55135	1.0
72.99291	1.6
73.02943	5.7
75.00876	2.0
83.01392	3.7
84.02203	1.0
85.02948	36.5
85.24371	0.7
86.03256	0.6
87.00896	2.1
89.02457	6.7
92.44931	0.7
95.01366	1.0
96.96014	2.5
98.61298	0.7
99.00876	1.6
101.02439	10.3
101.03014	0.9
107.01382	1.7
111.00907	2.0
113.02445	5.0
115.00372	0.7
119.03510	2.9
119.05051	0.7
125.02471	1.7
129.01901	4.7
135.98375	1.2
143.03510	1.4
143.05020	0.9
145.02988	2.0
147.02998	3.5
151.00359	4.8
151.04053	0.7
159.03020	1.2
161.04567	6.8
161.05817	1.2
173.00960	0.8
177.01918	0.9
179.05717	1.0
183.10316	1.1
185.06143	1.3
191.01974	10.6
191.05675	0.9
229.05038	22.8
230.05434	1.6
243.12360	1.0
269.10321	5.3
271.08530	2.4
272.08954	0.8
299.42300	0.7
311.11395	1.7
315.67606	0.8
331.17688	7.5
331.21368	1.0
347.12183	0.9
349.06171	1.7
349.22476	1.3
387.76532	0.8
391.12198	4.9
391.19696	10.8
391.23904	1.3
392.19986	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71234	0.4
59.01381	5.0
60.62361	0.5
61.47268	0.5
61.98831	100.0
62.78049	0.5
70.65527	0.9
70.65858	1.0
84.08952	0.4
101.02478	0.5
106.38828	0.5
139.09895	0.5
141.58916	0.5
214.07468	0.5
274.91324	0.5
275.56760	0.6
284.42108	0.5
327.21848	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.9
61.98830	100.0
71.01447	0.6
71.01828	1.0
71.37114	0.4
75.93068	0.4
154.28920	0.4
327.22107	0.9
364.40302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39765	0.4
59.01379	3.7
61.98831	100.0
64.47445	0.4
66.24310	0.4
73.55869	0.4
80.45824	0.4
104.67162	0.4
127.05421	0.4
129.21254	0.4
148.09203	0.4
181.65663	0.4
197.24368	0.4
210.48715	0.4
260.76965	0.6
391.17889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04637	1.3
59.01393	9.8
61.98832	100.0
70.77911	1.6
70.78235	2.4
71.62048	1.5
78.95919	1.8
85.02945	1.9
99.29919	1.6
140.88922	1.7
164.98320	3.4
180.00603	3.9
189.50827	1.6
208.00235	2.3
277.14392	1.6
327.21564	2.4
343.04471	2.2
373.09113	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	389.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73436	0.4
59.01379	100.0
60.01720	1.3
61.98836	1.4
70.54829	0.7
70.55161	1.1
83.16769	0.4
105.84405	0.5
179.79369	0.5
188.22449	0.5
220.38235	0.6
335.03195	0.5
383.49216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01717	1.2
61.98824	1.8
71.54614	0.8
80.27542	0.6
98.17152	0.6
112.98898	0.6
114.75228	0.6
158.10826	0.5
275.36026	0.5
290.12405	0.6
389.11487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03634	0.8
59.01382	100.0
60.01721	1.0
77.72270	0.9
276.35040	1.0
324.49725	0.8
327.48337	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01730	0.9
62.81699	0.5
71.53094	0.7
80.37662	0.4
104.63733	0.4
151.12062	0.5
151.17805	0.4
212.99390	0.4
224.58952	0.5
259.48145	0.5
296.61185	0.4
299.45670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32940	0.4
52.86407	0.4
59.01379	100.0
60.01707	1.5
61.98818	0.8
62.28314	0.5
71.44336	0.9
85.03001	0.6
129.96872	0.4
131.57181	0.4
268.29300	0.4
329.30664	0.5
389.31018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40174	22.1
50.67488	23.6
59.01375	100.0
61.49048	22.3
61.98827	86.6
68.07360	19.5
71.54555	36.0
85.02946	35.7
89.75934	23.8
94.62807	22.6
125.51884	19.4
126.67254	20.0
241.46654	22.5
350.55786	25.1
389.30215	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	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98826	61.5
70.60120	66.5
94.80992	18.6
104.46666	17.9
277.40710	20.8
339.47516	22.3
344.07016	20.5
344.55569	21.2
390.19595	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
51.42910	0.7
51.85553	0.7
55.01882	2.3
57.03451	3.5
58.00593	2.2
58.29895	1.0
59.01378	100.0
63.78641	0.7
69.54864	4.0
71.01378	41.2
72.99290	3.3
73.02940	4.3
75.00877	0.9
81.37949	0.7
82.32475	0.7
83.01376	4.0
85.02951	15.5
87.00906	1.0
89.02438	41.4
95.01383	3.9
95.05044	2.1
97.06615	2.5
99.00894	1.7
101.02438	25.7
109.06628	0.9
111.00929	1.4
112.59779	0.7
113.02445	16.7
113.06134	0.7
119.03504	16.2
125.02519	0.7
129.01944	1.3
131.03473	1.7
143.03513	2.1
147.11797	6.5
148.12192	0.9
149.04517	0.9
154.80124	0.6
155.10825	1.7
161.04559	5.8
163.04031	0.9
163.11220	4.2
165.12822	2.2
172.93867	0.8
175.03987	1.3
179.05617	4.2
183.10364	0.9
185.11890	1.2
190.06404	1.5
191.07246	0.8
191.10774	2.0
203.05481	1.1
205.03598	1.9
205.08716	1.5
209.11812	96.5
210.12117	6.8
227.12851	4.4
256.51514	0.9
301.08539	0.7
329.16080	3.4
347.17105	9.1
389.18182	69.5
390.18521	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	389.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06653	0.9
55.01879	4.0
57.03457	4.6
59.01381	88.5
61.98829	1.8
69.03444	1.1
69.39773	2.5
69.40192	5.5
71.01386	24.9
71.05001	1.2
72.99306	2.5
73.02941	11.3
75.00881	4.8
79.05542	1.6
81.07059	1.0
83.01399	4.4
83.05006	1.3
85.02950	20.4
87.00863	1.1
88.15117	1.0
89.02448	17.0
94.24887	1.0
95.05059	3.1
95.08691	1.1
97.06595	12.9
98.61791	0.9
99.00903	2.8
101.02450	16.0
109.06628	1.1
111.00900	4.2
111.08174	1.7
113.02450	9.5
113.06090	2.2
115.92010	0.9
116.92861	2.2
119.03502	7.9
125.02458	1.4
129.01947	7.6
143.03459	1.5
147.03032	2.8
147.11758	6.0
149.09775	2.4
155.10867	1.1
161.04575	4.5
163.11241	5.7
165.04063	9.9
165.12846	37.6
166.13145	2.8
167.10828	1.6
179.05670	2.3
179.07037	1.0
181.12340	1.7
185.11890	1.7
188.98828	1.0
191.10683	1.2
197.11823	10.7
205.03569	3.1
207.10373	1.2
209.11830	14.3
210.12238	1.0
227.12877	20.1
239.16638	1.6
241.10725	5.5
329.15945	2.8
339.75641	1.0
347.17212	3.7
389.14609	7.1
389.18298	100.0
390.18518	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
57.03450	1.4
58.00605	1.2
59.01381	100.0
60.01713	1.3
69.03459	2.2
69.78893	1.0
69.79308	1.7
71.01385	49.3
72.01714	0.5
72.26402	0.6
72.99316	2.0
73.02949	86.1
73.43132	0.5
74.03292	1.5
74.95850	0.5
75.00861	1.1
81.03467	1.2
83.01387	24.7
84.01743	0.7
85.02950	8.1
87.00896	1.1
89.02444	11.5
95.01397	1.3
97.02966	1.8
98.19957	0.9
99.00890	2.0
101.02447	67.3
102.02814	1.9
102.05468	0.6
111.00880	1.0
113.02460	13.9
114.02769	0.7
119.03528	5.1
125.02461	3.3
131.03525	4.6
139.11307	1.3
141.43666	0.6
143.03481	5.5
149.04572	5.8
155.03488	2.4
161.04558	15.6
161.05894	1.1
167.10786	6.7
183.10202	0.6
185.11855	4.0
188.40291	0.5
201.51753	0.5
203.05675	1.7
209.11957	0.6
221.06700	1.2
241.14487	2.3
256.09677	0.5
283.15466	0.9
329.16013	2.3
347.17084	3.2
348.17755	0.7
389.18176	42.4
390.18576	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	389.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41125	0.5
55.01884	2.1
57.03442	3.8
58.00595	1.2
59.01380	100.0
60.01714	1.1
61.98830	4.3
62.45805	0.6
69.03455	1.0
71.01382	28.5
71.01781	1.4
71.05027	2.0
71.54840	1.0
72.99321	1.4
73.02950	13.9
75.00885	2.4
79.05539	1.0
79.75178	0.5
83.01384	3.9
85.02949	15.9
87.00874	2.9
89.02450	14.5
89.03014	0.7
93.03461	1.8
95.01402	2.1
97.02962	1.2
97.06584	0.9
99.00867	3.1
101.02441	19.9
111.00916	2.3
113.02453	11.6
113.03168	1.0
115.04014	6.3
119.03508	5.9
125.02467	0.9
129.01973	3.2
131.03528	1.0
134.03835	1.0
143.03526	2.6
149.04530	0.8
149.09723	1.9
155.56863	0.7
159.03043	1.5
161.04549	13.0
165.04063	1.7
165.05522	0.8
165.09206	0.8
167.10800	0.8
173.04549	0.8
179.05707	1.5
185.45848	0.6
188.98097	0.6
191.05685	2.2
193.05106	1.2
194.05496	1.3
197.11830	1.1
203.05692	1.2
205.03572	2.6
209.31058	0.7
221.06718	0.7
257.13397	0.6
329.16144	1.4
347.16998	0.9
382.30627	0.7
389.14050	1.9
389.17493	4.3
389.22739	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	389.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.2
57.03448	1.7
57.78706	0.4
58.00585	1.1
59.01377	100.0
60.01719	1.1
60.99304	0.7
61.98821	0.8
69.03453	1.0
69.19791	4.2
71.01379	30.5
72.01738	0.9
72.99307	1.2
73.02940	11.4
75.00874	1.3
79.01872	0.5
79.05530	8.3
81.03481	0.6
83.01383	4.7
83.04992	0.7
85.02946	12.1
87.00864	3.7
88.98795	0.5
89.02441	21.2
93.03451	2.9
95.01360	2.5
95.05056	0.6
97.02915	1.3
97.06582	4.9
99.00864	1.8
101.02437	21.7
106.48657	0.5
107.01395	0.6
108.89571	0.4
111.00889	0.5
111.04519	0.6
113.02445	14.2
115.07620	2.4
119.03496	9.9
125.02417	1.6
129.01894	0.7
131.03470	1.3
135.00885	0.6
135.04506	2.4
141.05598	3.4
143.03511	2.5
149.04503	1.6
149.09702	0.6
151.00331	0.7
159.02904	1.2
159.06601	1.0
161.03275	0.7
161.04549	11.1
161.05888	0.9
165.04024	1.4
166.02740	4.9
167.03415	1.2
167.10846	0.6
173.04518	2.3
179.03468	0.6
179.05598	2.3
185.11821	1.1
191.05606	13.7
192.05954	0.6
208.00125	0.6
209.04472	0.5
257.13870	1.4
311.14972	1.4
313.08173	0.7
329.08734	4.2
329.15887	2.4
347.16879	1.4
353.08832	4.4
355.41177	0.6
371.06067	1.0
389.06812	1.7
389.13885	1.6
389.17938	34.1
389.21878	3.4
390.18341	4.2
414.21405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.0
59.01381	100.0
60.01714	1.3
60.99314	1.4
61.98827	2.7
64.57659	0.5
66.03848	0.5
69.18349	0.5
71.01380	6.9
71.24129	0.9
73.02962	1.6
75.00894	0.7
75.01504	0.5
83.01402	0.9
85.02949	13.9
87.00855	0.6
88.98814	3.6
89.02467	2.2
93.03471	0.6
95.01405	0.8
95.05030	0.6
99.00865	1.1
101.02441	4.3
103.00401	0.9
111.00905	1.0
111.04601	0.7
113.02470	2.3
119.03518	1.1
121.02953	0.7
122.03738	1.2
123.04540	0.7
125.02473	3.4
126.05590	1.0
129.01967	1.5
135.04544	0.7
137.02467	0.7
139.04037	1.0
143.03511	0.7
147.03038	1.5
152.04790	14.6
153.02075	0.7
153.28134	0.6
154.02823	0.7
159.02946	0.5
161.04561	5.5
165.12842	0.8
167.03560	0.7
167.07130	27.8
168.07558	1.3
173.04507	0.8
179.03494	0.8
191.02040	3.1
191.05617	17.5
192.42612	0.6
193.05066	0.9
194.05928	0.7
209.02951	1.0
209.08171	1.1
209.11868	2.1
241.07260	0.9
267.49850	0.6
353.08777	1.7
389.08701	2.0
389.18454	2.7
390.17752	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	389.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62416	0.5
54.69757	0.6
55.01880	5.0
57.03448	15.4
59.01380	46.1
60.01731	0.9
61.98822	2.8
67.01919	0.8
69.03445	1.4
69.55408	0.7
69.55751	4.7
71.01384	14.9
72.99296	1.3
73.02948	6.3
75.00870	2.4
77.84935	0.6
78.70535	0.7
83.01385	8.8
84.02168	2.7
85.02951	100.0
86.03297	2.4
87.00900	1.4
89.02447	6.1
95.01350	1.0
98.08124	0.6
98.20588	1.2
99.00900	1.8
101.02446	11.8
103.04077	1.0
111.00883	17.6
113.02452	5.6
116.92854	1.4
119.03500	2.2
129.01949	26.4
139.11276	1.0
149.09729	2.0
159.03055	1.0
161.04558	9.0
165.12846	1.8
167.10771	3.2
183.10265	2.9
185.11829	4.3
187.02502	1.1
205.03513	26.6
206.03751	1.0
209.11778	1.5
209.34808	0.6
223.04544	1.4
227.07214	1.2
249.88800	0.7
251.12970	0.8
306.53946	0.6
329.16055	2.9
347.17145	6.8
348.17645	0.8
354.09479	0.8
389.13599	3.5
389.18481	10.6
389.22864	0.8
390.18518	1.4
412.45300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1243
Annotation	Apigeniflavan 5-O-xyloside
Peak:m/z	Relative Intensity
59.01383	6.9
65.88811	0.3
69.84805	1.6
71.01380	2.2
73.02953	2.3
76.20406	0.3
84.56926	0.3
85.02946	0.5
87.00880	1.1
89.02447	6.8
95.64802	0.3
101.02451	0.9
102.98594	1.1
103.03991	0.7
115.05556	0.6
131.03488	1.3
149.04562	10.1
157.10199	0.4
167.10880	0.4
171.04535	2.1
172.05299	1.1
183.04573	0.6
184.05284	1.2
185.05986	0.6
187.04013	1.1
187.07631	1.5
189.05473	0.5
195.08247	0.5
197.06082	1.6
198.06779	1.7
201.09203	0.4
210.58415	0.4
211.07855	0.5
212.08440	1.9
213.09210	37.3
214.09618	2.9
217.23247	0.4
218.45341	0.4
227.07071	0.9
229.08940	0.5
231.10266	19.1
232.10612	1.3
245.08287	0.5
257.08197	100.0
258.08527	8.8
258.11267	0.4
378.35001	0.4
389.12299	1.6
389.25659	2.9
390.12653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
56.56185	0.7
57.03452	10.5
59.01377	16.7
61.98827	16.0
70.43349	1.6
71.01385	4.8
72.99313	2.1
73.69774	0.8
74.02465	1.1
75.00865	2.1
75.17356	0.8
78.95924	0.8
83.01399	3.1
84.02155	2.0
85.02948	100.0
86.03291	2.5
87.00872	3.5
88.98832	1.1
89.02455	4.0
96.96006	1.3
96.96957	1.4
99.00923	0.9
101.02446	2.4
103.00358	1.9
111.00882	3.5
119.03503	0.9
121.02959	2.9
129.01950	8.8
137.02406	1.0
140.02324	5.6
141.03064	2.4
147.03000	15.1
149.06108	1.0
152.01108	1.1
153.05611	1.0
167.03499	1.3
167.07024	1.1
173.00861	1.9
180.07430	0.8
191.01978	19.1
191.05592	19.4
192.05949	0.9
197.04523	3.5
209.03011	9.8
211.25560	0.9
227.05713	1.3
246.10071	0.8
306.17838	0.9
345.09479	3.3
353.08810	2.2
353.14453	3.4
389.06903	2.4
389.12061	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	389.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.5
57.03448	13.4
59.01381	8.3
60.88923	0.7
68.99802	1.0
69.68574	3.2
71.01384	6.6
72.99306	2.4
75.00874	4.3
83.01383	4.1
84.02148	1.8
85.02947	100.0
86.03278	2.6
87.00877	1.6
88.28532	0.7
89.02435	1.1
99.00842	0.7
101.02456	2.1
103.00372	1.4
111.00868	6.5
115.00376	1.4
121.02985	4.1
125.47713	0.8
129.01958	7.8
133.01360	1.2
136.88026	0.7
147.02986	14.5
153.05588	2.3
173.00908	2.1
191.01965	25.0
192.02281	1.3
197.04544	4.5
201.37628	0.8
209.03015	14.3
285.48648	0.7
339.82047	0.7
372.71570	0.7
389.07358	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	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10685	0.5
51.85845	0.5
59.01378	4.4
61.98827	100.0
69.28712	0.7
69.87589	0.5
69.93710	3.0
88.07214	0.6
97.68928	0.5
99.46545	0.6
174.18544	0.6
273.69525	0.6
389.12466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.8
58.88572	0.7
59.01382	30.3
60.62445	0.7
61.98834	4.3
69.79118	4.3
71.01382	7.4
72.99329	0.9
73.02965	1.4
73.13110	0.9
79.77604	0.7
83.01363	1.2
85.02951	18.9
87.00880	1.1
89.02453	7.4
93.03460	2.0
99.00865	1.3
101.02435	3.9
105.26904	0.8
110.12518	0.7
111.00871	1.9
111.04513	1.4
113.02480	3.7
119.03500	3.0
125.02460	1.5
127.04018	1.5
129.01953	2.1
135.04564	1.4
139.04054	1.4
143.03589	1.1
147.02953	2.2
151.04034	0.9
154.99878	1.7
158.00459	1.0
161.02504	1.9
161.04597	1.6
173.04492	1.5
179.03474	3.4
185.04480	1.2
191.05611	100.0
192.05956	4.4
194.05864	1.7
205.03468	2.1
209.08215	4.1
347.17017	2.7
353.08719	9.2
354.08972	1.5
371.06271	1.0
389.06973	1.4
389.14395	1.6
390.17892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26987	0.4
54.11951	0.4
59.01377	3.1
61.26769	0.4
61.98828	100.0
67.16000	0.4
67.98692	0.4
68.54469	0.3
71.01380	0.4
71.07746	0.8
80.31979	0.4
85.02956	0.4
89.71938	0.3
93.20921	0.4
119.04960	0.4
167.07129	0.6
192.06378	0.5
239.57091	0.4
292.44714	0.4
302.50406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
61.98830	100.0
62.90567	0.4
71.22665	1.0
124.94184	0.4
140.08046	0.4
185.06554	0.4
403.64618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28148	0.8
53.83369	0.9
55.02409	1.0
58.25674	0.9
59.01383	100.0
60.01703	1.3
68.66966	1.0
70.56887	0.9
70.85098	2.4
107.64611	0.8
189.66757	1.1
194.73810	0.9
206.01590	0.9
262.40277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58094	0.4
59.01379	100.0
60.01709	1.1
61.98834	1.7
70.79322	0.7
70.79637	0.6
79.15469	0.4
87.00922	0.4
116.92912	0.4
125.10901	0.3
155.24205	0.4
230.06905	0.4
349.60910	0.4
360.47723	0.4
387.13763	0.8
411.01877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65556	52.2
52.71938	42.7
59.01365	67.4
59.54488	48.9
61.98823	88.1
66.86823	41.2
67.99444	44.8
70.54588	100.0
71.82838	38.5
77.30984	37.1
78.56549	43.1
86.53944	35.0
94.05031	40.7
98.19952	46.0
99.66428	46.1
128.06273	40.7
153.35915	41.3
196.90530	41.3
342.71893	44.7
364.63602	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43087	0.9
59.01382	100.0
60.01690	1.1
62.88093	1.0
70.84652	2.9
77.02168	0.8
92.50987	0.9
110.56390	1.0
122.93386	1.0
139.61241	1.1
146.07938	0.9
182.61888	1.0
197.87605	1.0
255.01599	1.0
269.54099	1.1
329.05740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24704	22.0
59.01367	49.2
61.98819	100.0
70.02997	82.2
102.26581	21.2
116.92843	49.1
185.28125	25.6
225.18588	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	387.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.3
60.62922	0.4
61.98814	1.3
65.61195	0.4
69.03457	0.4
69.79092	0.5
70.77041	0.9
85.02937	0.6
86.95985	0.5
87.00883	4.8
95.24195	0.4
111.08195	0.6
122.61892	0.4
135.11823	0.5
151.71532	0.4
195.08472	1.0
203.18008	1.3
221.15363	0.6
221.19019	0.9
237.18597	1.9
245.46519	0.5
247.17043	9.2
248.17508	0.7
255.14417	0.5
261.37433	0.5
265.18076	25.6
266.18396	1.8
281.15826	5.3
299.16855	71.6
300.17191	6.9
369.17368	0.7
387.18460	100.0
388.18774	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	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66993	2.1
57.03448	5.6
59.01374	44.4
61.98820	4.7
62.92979	2.4
69.28278	19.5
71.01377	4.9
71.05010	7.0
78.78434	2.7
79.46808	2.4
83.01382	4.0
85.02930	3.9
85.06597	3.3
92.25844	2.4
97.02948	3.8
97.06612	3.3
98.20708	5.4
99.08147	5.7
109.02952	18.2
111.00852	4.5
112.07699	2.2
115.07658	5.9
123.04521	10.0
125.02448	9.5
125.09742	3.6
129.09210	13.7
137.02423	9.6
139.03925	2.6
151.03978	7.4
161.04515	2.5
161.05995	2.8
165.01881	3.9
165.09186	3.4
173.04500	8.1
173.05875	2.3
175.03831	3.2
176.71021	2.2
179.03406	4.7
187.03978	3.2
194.09625	2.8
203.07170	9.0
205.05051	5.0
213.14873	6.4
244.21069	2.4
245.08182	6.9
283.19159	18.2
289.07193	41.8
301.20200	100.0
302.20624	9.4
343.11978	5.7
343.21280	25.4
345.22665	3.9
387.14417	23.0
387.23914	3.9
392.72940	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71823	0.4
55.01887	0.5
57.03445	3.2
59.01381	100.0
60.01716	1.1
61.98838	1.0
64.86016	0.4
67.01849	0.5
69.03458	6.2
69.27104	3.5
69.27519	1.1
71.01389	3.1
71.05035	3.7
72.99320	1.5
73.02946	3.7
75.00864	3.6
81.03453	3.8
83.01392	1.1
84.02162	1.1
85.02971	3.2
85.06576	0.5
87.00874	6.1
89.02454	1.1
95.05029	0.6
99.00902	0.6
99.04517	10.8
101.02470	1.8
111.00883	1.2
111.08172	1.5
113.02516	0.7
113.06104	1.0
117.01927	1.0
123.04520	0.6
123.08173	1.3
125.02457	1.3
129.01967	1.0
133.10255	0.5
136.01683	0.8
137.02458	0.7
137.09731	2.2
139.11295	10.1
140.11638	0.6
143.03505	3.7
151.04047	0.7
151.07672	0.9
151.11316	2.0
155.10779	2.9
161.04575	4.6
165.09239	1.8
166.70703	0.5
169.08685	3.0
179.05675	0.5
181.05005	0.5
183.10255	38.5
184.10609	2.5
201.11360	1.2
203.05594	1.1
209.11795	3.7
221.15439	2.3
225.11394	0.6
226.82826	0.4
239.12910	1.9
265.14444	1.7
267.12439	0.6
327.14493	3.6
345.15552	7.6
346.16144	0.8
387.16638	13.4
388.17108	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	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01876	0.9
58.00599	1.0
59.01380	89.4
59.40250	0.5
60.01728	1.1
61.98819	0.7
69.03457	3.5
69.25272	2.9
69.25693	2.8
71.01383	28.2
71.01781	1.4
72.99313	1.3
73.02947	55.0
73.35150	0.6
74.03297	0.6
75.00887	1.5
81.03460	0.9
83.01388	13.0
85.02953	4.6
87.00874	2.6
89.02446	8.7
95.01392	1.7
95.04997	0.7
97.02953	1.2
99.00888	1.5
99.04536	1.2
101.02444	36.4
102.02794	1.2
103.04015	2.0
113.02457	11.0
113.06144	0.5
119.03477	3.4
121.10258	2.0
123.08170	0.6
125.02448	1.9
131.03502	3.1
137.09743	1.0
139.11305	1.8
143.03476	2.9
149.04520	4.3
155.03526	0.8
155.10768	0.8
161.04568	9.1
163.07616	1.6
163.11362	0.7
165.09204	100.0
166.01468	0.9
166.09547	5.7
167.03423	0.7
167.10791	12.9
183.05440	1.0
183.10245	9.8
184.02510	1.1
203.05612	1.0
221.06685	0.9
232.69759	0.7
327.14499	2.4
343.11877	1.0
345.15466	4.3
366.78809	0.6
387.16586	26.5
388.17102	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52646	0.6
54.15309	0.5
55.35202	0.5
58.00598	1.3
59.01379	76.0
59.62678	0.7
69.76419	1.7
69.76837	2.1
70.12663	0.7
71.01382	14.7
71.73654	0.6
71.91285	0.6
72.99310	1.1
76.64922	0.6
76.74567	0.7
79.05545	1.1
81.03430	0.8
83.01392	1.2
85.02963	3.4
89.02446	13.7
95.01344	1.5
101.02428	8.8
107.05020	0.7
113.02442	5.4
119.03505	4.5
123.04520	31.1
124.04881	0.9
143.34071	0.6
147.08121	0.9
163.11279	38.0
164.11624	3.2
207.10242	0.8
209.11836	1.0
225.14757	0.7
327.10910	0.8
387.16577	100.0
388.16888	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	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03439	1.3
58.00574	2.1
59.01378	100.0
60.01723	1.1
61.98834	1.5
66.19959	0.8
69.30896	0.7
70.54388	1.1
70.54742	1.1
71.01382	27.6
72.99300	2.8
73.02944	4.8
83.01369	2.1
85.02959	10.3
87.00848	2.2
89.02442	24.8
93.03439	2.5
95.01373	2.7
97.06577	2.1
97.81103	0.8
99.00875	1.5
101.02439	20.9
105.00558	0.8
113.02439	10.9
119.03484	8.7
128.03482	1.9
131.03479	1.3
133.02946	2.8
134.19080	0.8
135.04494	1.3
140.62872	0.9
142.88895	0.8
143.04655	0.7
149.04543	1.3
153.01888	1.5
161.04550	2.8
163.00313	0.9
163.10027	1.3
163.11275	13.2
164.08459	0.8
165.04097	0.7
165.09198	1.9
168.04298	1.8
175.03946	0.9
175.82376	0.8
179.05664	1.3
183.06613	1.0
191.05663	3.8
193.05096	1.0
207.10210	2.9
210.08963	1.0
221.06613	0.8
225.11206	1.1
225.14987	4.1
243.15808	0.8
285.03989	3.6
288.95956	0.8
297.03989	7.0
298.04602	3.2
299.05548	5.0
311.05429	1.0
327.05090	7.9
338.08997	1.9
339.05090	2.9
341.06711	2.0
357.06137	6.8
358.06372	1.3
369.06262	5.6
387.07394	15.5
387.16516	96.7
388.07410	1.4
388.16873	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	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10117	0.6
52.64534	0.7
57.88730	0.8
58.69499	0.7
59.01382	69.6
61.98825	2.5
70.00747	3.0
70.01090	0.9
71.01385	14.8
72.99316	0.8
73.02972	1.2
83.01376	1.1
85.02950	3.4
89.02448	13.3
95.01399	1.0
98.20591	1.2
101.02454	9.4
113.02425	4.2
119.03519	5.2
123.03634	1.3
123.04527	22.2
124.04860	1.3
161.04578	1.2
163.11288	34.6
164.11667	1.3
184.43192	0.8
191.55734	0.8
207.10287	1.3
225.07703	3.0
387.16611	100.0
388.16901	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	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88058	0.5
55.01882	0.8
57.03450	5.3
59.01384	28.0
69.03458	9.5
69.60385	3.4
71.01380	4.4
71.05024	2.8
72.99277	0.8
73.02955	3.0
75.00880	2.5
77.53704	0.5
81.03462	2.5
83.01387	1.0
85.02944	4.8
87.00882	2.6
89.02443	2.1
95.01430	0.8
98.20586	1.0
99.00879	1.4
99.04520	2.6
101.02450	3.6
111.08150	1.9
113.02463	2.0
113.06083	1.4
117.01927	0.8
119.03515	0.7
121.02901	0.6
123.08168	1.2
125.06114	2.3
130.08795	0.9
139.11302	14.2
140.11656	1.4
143.03491	3.2
149.02448	1.9
150.02780	0.9
151.02850	0.9
154.79031	0.6
161.04565	3.7
163.11266	1.0
164.04745	1.1
165.05122	1.0
179.05620	1.9
180.06004	1.3
181.06114	1.5
183.10274	100.0
184.10622	6.2
191.10979	0.6
203.05646	2.2
207.10237	0.9
221.06673	1.8
223.06171	1.5
225.06575	1.6
225.11374	1.6
228.49577	0.6
274.24786	0.6
327.14517	1.4
345.15521	5.3
370.18900	0.7
387.11569	2.3
387.16611	14.2
388.16974	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1659
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
56.13352	0.5
57.84385	0.4
58.00599	1.2
59.01380	67.8
60.01713	0.7
71.01379	15.2
72.99329	1.4
73.02940	1.2
77.19937	0.5
83.01395	0.8
84.02168	1.0
85.02941	3.8
87.00901	0.6
89.02446	14.4
95.01376	1.1
96.96030	0.9
98.19944	1.2
99.00894	0.6
101.02440	9.4
113.02454	5.7
119.03500	4.6
121.02940	0.6
131.03506	0.6
157.71275	0.5
161.04573	1.4
163.11281	4.7
181.05090	0.6
207.10265	12.2
225.11414	1.0
225.14977	7.4
226.15311	0.7
305.54407	0.5
337.86838	0.5
387.16574	100.0
388.16913	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	387.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25266	0.5
55.34652	0.6
57.03405	2.7
59.01384	5.2
69.03428	1.2
69.39929	2.3
69.40344	2.1
71.01334	0.5
71.04977	1.1
73.02921	1.1
81.03417	2.6
83.01385	4.2
85.02898	0.6
87.04491	1.2
87.99506	0.5
88.65231	0.6
89.13227	0.5
93.03413	2.4
95.01339	0.8
95.05022	4.0
97.02947	9.1
97.06554	0.9
98.19809	1.0
101.06058	1.4
108.02167	1.3
109.02953	29.2
110.03237	1.2
111.00850	0.9
121.02934	5.5
122.03683	1.3
123.00838	0.9
123.04526	19.6
124.04803	0.9
125.01564	1.1
125.02441	20.1
126.02757	1.1
127.07669	0.8
131.04990	0.8
133.02924	0.6
135.04550	2.9
135.08130	0.8
136.01669	0.8
137.01472	0.9
137.02437	12.0
137.06017	1.0
139.03976	4.8
141.01878	0.9
145.02901	1.7
145.08633	2.0
146.03687	2.1
147.04468	1.6
149.01454	0.6
149.02437	6.7
150.03188	0.9
151.02899	0.8
151.04008	11.8
153.01878	1.7
154.00920	0.9
159.04501	3.8
160.05278	1.1
161.02385	2.1
161.06049	7.2
162.03217	3.2
163.03932	1.6
164.01109	3.6
165.01953	5.8
166.02455	1.2
167.03445	2.2
171.76546	0.7
173.06044	0.9
174.03146	1.0
175.03975	3.2
175.07581	2.8
177.05542	1.7
179.03485	7.7
179.07033	1.9
180.03798	0.7
185.06013	0.8
186.06776	0.7
187.04021	5.8
188.04776	5.0
189.05447	1.1
191.07074	1.0
193.08607	0.9
199.07498	1.3
201.05423	1.0
202.06317	2.8
203.03423	1.6
203.07130	19.3
204.07433	1.3
205.03317	1.1
205.05040	14.1
206.05327	0.9
212.04871	0.9
217.05063	0.6
219.06566	1.4
221.04437	0.6
221.08249	4.2
227.07127	2.3
229.04987	0.7
230.05803	0.9
231.02939	1.8
233.08122	0.7
242.09201	0.7
245.08153	21.6
246.08380	1.9
247.06123	3.1
255.09726	0.6
255.44084	0.6
271.06036	0.7
275.13123	0.9
289.07169	100.0
290.07495	9.5
299.12915	3.1
301.20227	0.9
327.21716	3.6
343.11844	15.3
343.15735	1.5
344.12222	1.8
345.22800	10.0
346.23172	1.0
359.11426	1.2
369.13385	1.3
372.06870	0.9
387.10574	3.1
387.14545	44.0
387.23666	7.2
388.10419	0.9
388.14850	7.3
388.23898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10696	0.6
57.03425	1.7
59.01374	4.7
60.26336	0.7
61.98807	0.9
63.11250	0.8
69.03448	0.8
71.01372	1.5
81.03446	3.4
83.01389	4.8
84.01776	0.7
85.02942	0.9
93.03465	1.9
95.01376	1.2
95.05021	3.7
97.02957	8.4
98.20745	1.7
102.98580	1.8
108.02164	3.9
109.02949	32.8
110.03291	1.0
121.02938	5.2
122.03722	1.3
123.00865	1.1
123.04529	21.3
125.02451	17.6
129.01944	0.8
135.02887	0.8
135.04527	3.1
136.01651	1.3
137.02440	14.1
137.06081	1.0
138.03215	1.3
139.04015	4.8
141.56549	0.8
142.16632	0.7
145.02954	1.5
146.03703	1.3
149.02464	6.3
150.03229	1.1
151.02884	1.0
151.04007	11.1
159.04494	3.4
159.06628	0.8
160.05244	2.2
161.02463	1.4
161.06108	8.0
162.03175	2.6
163.03963	2.2
164.01134	5.5
165.01926	8.0
167.03484	2.6
173.06012	1.2
174.03210	0.8
175.03979	3.2
175.07608	3.3
177.05576	0.8
179.03496	8.4
179.07111	1.1
185.05922	1.0
187.03967	6.9
188.04762	4.4
189.05452	1.2
191.07158	1.6
193.08728	1.9
201.05412	1.0
202.06306	2.3
203.07133	19.0
204.07542	1.6
205.05063	13.4
212.04869	0.8
217.08572	0.9
219.06688	1.6
221.08139	4.1
225.05585	3.1
227.07127	2.9
230.05803	1.2
231.02924	1.1
245.08145	20.9
246.08554	1.6
247.06097	2.7
257.11926	1.0
259.13690	1.6
271.06183	1.1
289.07169	100.0
290.07535	10.8
299.12857	2.4
311.06009	0.8
339.12411	1.4
343.11819	13.9
344.12308	1.3
345.22787	1.7
369.13440	1.9
385.13321	1.1
387.14484	56.4
388.14783	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	387.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15894	0.7
57.03447	3.4
59.01373	5.8
64.79478	0.6
69.03446	0.9
69.35707	5.4
69.36286	0.7
71.01366	1.2
71.33218	0.7
73.02970	2.0
79.26541	0.7
81.03455	4.0
83.01382	4.4
85.02953	0.9
89.74114	0.6
93.03458	2.1
95.01405	1.2
95.05037	4.2
97.02952	8.9
97.06556	1.1
101.02470	1.1
102.98611	1.1
108.02184	1.7
109.02952	30.9
110.03265	1.7
111.04461	0.6
121.02949	4.6
122.03714	1.8
122.06126	2.1
123.04520	22.1
124.04865	0.8
125.02448	18.8
126.02853	0.8
135.04556	3.3
136.01674	0.9
137.02448	12.7
138.03191	1.3
138.52029	0.6
139.04004	4.7
139.07549	0.7
145.02968	1.3
146.03740	2.8
147.04541	1.0
149.02466	6.0
150.03232	1.6
151.04012	10.8
152.07202	3.3
158.03658	0.8
159.04541	2.8
160.05266	2.3
161.02417	1.9
161.06076	7.5
162.03218	2.6
163.04030	1.6
164.01105	4.3
165.01962	5.9
167.03520	2.2
173.06009	1.1
174.03157	0.8
175.03998	3.2
175.07675	2.6
177.05530	1.7
177.09271	0.7
179.03481	9.3
179.07172	2.7
181.12411	0.8
185.11906	0.7
187.04022	6.9
188.04779	5.8
190.05138	1.4
191.03600	0.8
191.05525	1.4
191.07129	0.8
202.06367	3.3
203.07138	19.1
204.07477	2.1
205.03302	1.3
205.05054	14.9
206.05550	0.7
212.04752	1.4
214.49326	0.7
217.08632	1.0
219.06723	1.2
221.08238	3.5
225.11325	2.8
227.07100	2.4
231.02971	0.7
233.08221	1.1
245.08170	23.3
246.08498	2.4
247.06122	2.1
271.06143	0.9
289.07181	100.0
290.07465	8.8
298.53876	0.7
299.12900	2.5
306.47116	0.7
343.11823	13.1
343.15686	0.8
344.12195	2.2
345.22849	2.5
369.13467	1.6
387.14517	47.8
387.23804	1.9
388.14722	7.3
389.02100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61711	1.1
54.02451	1.1
55.01904	1.4
55.71668	1.0
57.03433	1.3
58.00604	1.6
59.01381	84.9
60.01706	1.5
61.98835	16.1
71.01384	28.0
71.53672	1.2
72.99303	1.7
73.02952	4.3
74.02464	4.6
78.15509	1.2
83.01383	3.3
85.02929	8.3
87.00864	2.9
89.02445	34.0
93.03469	12.6
95.01379	2.5
95.19452	1.2
97.06600	1.8
99.00867	2.7
101.02440	22.8
102.98633	2.0
113.02455	13.7
119.03487	13.3
121.02946	5.9
123.00896	1.5
123.04531	10.3
129.10356	8.5
137.02460	19.1
137.06087	2.3
143.03516	1.7
149.02426	3.2
155.11868	1.7
161.04543	2.2
163.04091	1.9
163.11298	21.5
165.09201	1.5
167.03487	3.0
175.04044	1.3
177.01932	29.1
177.31593	1.2
178.02390	2.1
179.05682	1.6
181.05223	1.3
182.05817	1.7
186.12434	2.5
191.05632	3.8
192.04286	42.0
193.04736	2.6
200.13904	1.3
207.06621	100.0
208.06856	6.1
209.11787	1.4
225.07529	1.8
239.05545	1.5
254.07945	1.8
304.15881	1.2
357.21457	5.7
369.15668	1.6
387.12698	15.9
387.16602	61.6
387.22333	13.1
388.17270	5.7
388.21750	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90446	1.0
54.65269	1.0
57.03461	1.2
58.00592	1.8
58.75818	0.9
59.01381	85.3
60.01712	1.2
61.98833	1.9
69.41443	7.3
71.01382	21.7
72.99297	2.4
73.02948	3.4
76.63855	1.2
79.05523	3.4
81.03458	1.5
85.02950	5.7
89.02451	19.9
95.01389	2.2
95.05032	1.2
98.20647	2.4
101.02434	14.1
113.02448	8.7
119.03522	7.7
123.04531	99.4
124.01651	4.5
124.04874	2.6
125.02397	1.6
129.44742	1.2
133.06729	1.1
135.04544	1.7
137.06056	1.9
139.04018	15.9
143.03543	1.6
147.04507	4.1
149.02386	1.4
161.04561	2.0
163.11284	32.2
164.11563	1.8
165.05624	2.6
177.01926	6.3
177.05602	1.7
183.10240	1.9
192.04268	9.4
203.05624	1.2
207.06653	21.7
208.07022	1.5
267.08762	17.9
271.12799	1.2
327.11017	1.7
369.68887	1.1
387.16626	100.0
388.16873	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	387.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08969	0.4
54.13562	0.4
55.01862	0.8
57.03448	0.8
58.00594	0.5
59.01104	0.6
59.01381	7.9
61.98815	0.5
63.02393	0.9
70.28551	0.5
70.28870	0.9
71.01379	10.1
73.02945	11.3
75.00849	0.5
83.01385	1.0
83.05017	0.4
85.02946	8.2
87.00867	3.8
89.02424	2.7
93.03481	0.6
95.01382	1.1
95.03367	0.4
97.02964	0.6
99.00891	1.4
101.02428	7.4
103.04014	7.3
111.00892	0.5
111.60390	0.4
113.02437	4.4
119.03471	0.7
124.01659	40.7
125.02047	1.2
129.01935	0.4
139.04010	100.0
140.04350	4.4
143.03496	0.7
148.01649	0.7
151.04001	1.6
159.02991	1.6
161.04533	5.4
163.04031	1.3
166.06357	2.1
179.03473	0.6
180.04282	1.8
181.05083	0.7
181.08774	1.0
191.05577	1.0
192.04309	0.5
193.04993	0.5
205.04994	0.5
207.06570	0.5
207.13860	0.5
217.07201	0.5
225.07660	5.9
225.14928	2.0
283.08197	5.6
297.17041	2.6
299.86856	0.5
369.11969	0.9
378.75140	0.4
387.20294	5.1
388.20953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1086
Annotation	Bafoudiosbulbin B
Peak:m/z	Relative Intensity
57.03427	1.1
59.01375	9.0
60.87859	0.8
61.98843	0.9
65.00323	40.2
65.03973	1.0
66.00669	1.4
67.01891	1.6
69.49808	2.3
69.50233	3.6
71.01388	5.5
73.02953	1.8
79.05514	0.9
81.03469	4.6
83.01369	2.0
85.02952	2.2
87.00861	0.7
89.02448	4.1
89.09037	0.8
93.03454	3.6
95.01366	3.2
95.05034	0.9
96.96014	1.1
101.02440	3.6
105.03477	1.1
106.04242	1.0
107.05029	4.3
108.02177	2.4
108.04567	0.9
109.02969	6.9
109.06597	0.9
111.00861	1.9
113.02435	2.6
119.03519	0.9
121.02979	4.2
121.06595	2.8
122.03750	1.1
123.00859	2.4
123.04533	4.7
124.01664	9.7
124.63145	1.0
125.02384	1.0
133.02937	1.3
133.06612	1.9
135.04539	1.8
137.02449	2.3
138.03203	1.7
147.04468	1.3
149.02434	3.6
149.06068	3.5
151.03993	4.2
159.03192	0.8
159.04483	1.4
160.04053	4.5
161.02460	1.3
161.04584	2.2
162.03162	2.5
163.03972	2.9
175.03873	0.9
177.05536	3.4
180.30891	0.9
181.05087	1.1
181.06497	1.1
183.10233	3.3
188.03508	2.5
191.05629	1.2
204.02901	0.9
207.06573	1.3
207.13789	1.3
209.06133	1.3
218.04604	2.0
225.05521	3.4
227.07062	1.1
239.11658	0.9
252.08902	1.2
253.04907	1.5
255.06807	2.3
267.11349	2.3
269.08212	2.7
277.63062	0.9
281.05701	2.5
283.06708	1.1
283.10345	1.4
285.11368	0.9
289.07175	1.7
295.07101	1.2
296.07886	1.2
298.08636	1.1
309.08713	1.1
311.10336	19.2
312.10663	3.0
313.10889	2.2
328.09311	1.3
337.08218	1.7
343.11847	100.0
344.12204	13.4
355.09348	7.2
387.11191	5.8
388.11298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1084
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
57.03438	0.9
59.01380	15.8
69.03451	2.8
69.30952	2.5
69.31371	2.9
71.01383	4.9
71.05017	0.8
73.02962	3.1
73.38479	0.7
75.00872	1.3
76.86822	0.7
79.05534	2.8
81.03453	4.0
82.59322	0.8
83.01396	4.9
85.02948	4.5
87.00864	2.6
89.02446	2.8
93.03461	1.0
95.01398	1.1
97.02942	1.2
98.19856	1.2
99.00894	0.7
99.04514	1.0
101.02440	4.8
107.01387	5.7
108.02180	3.3
109.02971	6.2
111.04547	1.4
111.50140	0.7
113.02465	2.2
119.03513	0.9
121.02949	2.6
121.06586	0.9
122.03744	2.1
123.00902	0.9
123.04530	67.1
124.04853	1.7
125.02441	2.8
133.06573	2.5
135.04558	5.0
137.02448	6.4
139.11313	1.8
147.04500	1.3
149.02463	4.5
149.06047	1.7
150.03146	1.5
150.06171	0.7
151.00441	1.2
151.11263	1.1
157.06590	1.6
159.04475	3.2
161.02414	1.7
161.04562	2.9
162.03204	5.5
163.03918	1.5
165.01920	0.9
165.04147	1.8
165.05574	4.1
167.03558	1.8
175.04022	1.3
175.07698	2.5
177.02055	0.6
177.05559	16.0
178.05898	0.8
179.10802	0.9
183.10291	12.5
184.10576	0.8
189.05533	3.0
191.03497	1.6
193.01347	1.1
201.05579	3.2
203.05420	0.7
207.06590	1.2
207.10269	2.2
215.03513	1.4
219.06604	19.6
220.06915	1.2
221.06665	0.7
227.03529	0.8
233.04543	5.8
235.02478	22.8
245.04536	5.0
251.05618	14.5
252.05960	1.1
263.05637	3.0
265.03464	2.3
355.06702	17.7
355.10980	1.5
356.07068	1.8
369.09760	8.6
370.10635	1.0
387.10873	100.0
387.16315	7.1
388.11176	11.7
388.16315	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1084
Annotation	Emmaosunin
Peak:m/z	Relative Intensity
54.06862	1.7
59.01361	7.7
61.98830	23.6
67.01866	1.7
68.68236	1.7
95.05040	2.0
96.99264	2.1
97.02935	2.4
99.00864	7.7
107.05019	3.7
108.02216	2.4
109.02976	2.1
110.00047	2.9
111.00837	9.8
115.05520	2.7
119.05025	2.6
121.03014	1.8
121.06553	2.7
123.00846	13.2
123.04524	2.5
125.02441	32.5
131.05020	7.1
136.01643	2.3
137.02440	5.2
139.00336	10.1
140.01140	3.5
141.01961	17.6
147.04486	6.4
149.02493	2.4
149.06065	2.0
151.00400	3.2
151.03960	5.1
152.01140	3.1
153.01930	44.1
159.04530	11.1
161.05992	2.1
162.69337	2.0
163.03963	4.9
164.04730	2.2
165.01953	3.5
165.05565	4.3
173.02290	1.8
175.03967	11.1
177.01932	2.1
178.02710	2.2
190.45073	2.0
191.03531	2.8
193.01419	3.4
193.04927	3.4
201.05527	2.1
202.02649	3.2
203.03464	25.5
218.05893	2.3
221.04457	2.6
247.02350	2.3
329.10019	2.3
359.11215	7.2
387.10806	100.0
388.11273	10.0
390.89789	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	387.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00191	0.6
55.36754	0.6
59.01370	2.0
61.98833	0.6
69.43562	4.3
69.43970	1.3
74.20666	0.6
76.14837	0.7
78.56828	0.5
95.05038	0.8
98.24073	0.6
110.98911	0.6
123.04544	2.2
124.01665	41.9
125.02040	1.5
132.50110	0.7
138.03156	0.6
139.04018	100.0
140.04324	3.8
187.38240	0.6
296.42261	0.7
360.17035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32827	0.7
55.01886	1.0
57.03444	2.3
59.01378	5.1
62.29341	0.8
64.44749	0.7
68.99825	1.5
69.28385	5.3
71.01388	1.6
71.05014	1.2
73.02951	0.8
74.07327	0.7
79.01894	1.4
80.02671	0.8
81.03461	3.9
83.01395	11.1
83.05029	1.3
85.02933	1.0
93.03454	2.7
95.05033	16.4
97.02940	4.2
98.19928	1.2
99.00901	0.8
107.05042	3.1
109.02936	1.8
109.06591	12.3
111.04509	6.3
113.02450	1.3
113.06103	4.9
119.05022	2.1
121.02949	2.7
121.06553	0.8
122.03741	5.7
123.04543	5.2
125.02417	1.7
125.05975	0.9
135.04512	3.3
136.05257	0.9
137.02463	1.4
137.06088	25.6
138.06461	1.0
139.04015	28.4
140.04372	1.9
149.06070	1.2
151.04016	7.4
151.07646	11.1
153.05565	4.8
161.06078	4.2
163.04001	1.4
163.07629	0.9
165.01920	1.2
165.05560	2.0
169.05035	2.1
177.01958	1.8
177.05685	0.9
179.03499	1.0
179.07146	5.8
180.04404	0.9
181.05069	78.3
182.05460	3.9
189.12912	0.8
193.03352	1.2
193.05049	14.1
195.06682	4.0
205.05070	1.7
207.06628	2.4
211.06084	2.9
217.05083	1.1
220.03787	2.8
221.04659	1.1
223.06116	42.9
224.06485	2.6
225.04036	5.6
231.90715	0.9
235.06047	3.6
237.04083	0.8
249.03979	1.4
253.07187	10.3
255.05110	0.9
261.67505	0.7
265.07034	1.1
267.05096	100.0
268.05524	5.4
279.05157	1.8
297.06155	37.8
298.06592	2.7
309.06229	0.9
318.19928	0.7
369.08127	4.1
387.09247	12.7
388.09796	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
61.98818	1.9
66.03488	0.8
83.05051	0.4
86.02437	0.5
98.20741	0.8
112.04087	0.8
114.05608	100.0
115.05968	2.6
127.75710	0.4
242.73466	0.3
314.12863	0.4
386.30643	64.8
387.31027	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	387.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20686	0.9
57.17770	0.9
59.01369	2.7
61.98828	5.6
68.44696	0.9
71.54103	1.2
86.53494	1.1
86.94717	1.0
89.69743	1.1
108.39002	1.0
110.00098	2.9
123.04532	1.9
133.02930	4.3
136.98741	1.2
137.99588	2.0
141.27046	1.0
145.08356	0.9
164.98322	7.9
165.99063	8.5
169.37367	1.0
177.99001	1.4
183.04463	4.2
199.03929	3.4
200.62498	1.1
205.98503	1.0
215.03511	2.2
216.04234	1.5
227.03513	5.4
240.52228	0.9
243.02951	3.1
246.26450	1.1
255.02959	4.0
267.40207	1.0
269.04309	1.3
271.02490	12.9
272.02960	1.5
299.01953	42.9
300.02399	3.6
314.04318	91.7
315.04660	9.1
329.06650	100.0
330.06946	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	387.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
57.03431	2.1
59.01382	29.6
61.98837	1.4
62.26960	0.8
68.99821	1.7
69.03448	0.9
71.01389	8.6
71.23038	0.9
72.92315	0.7
73.02946	2.9
75.00879	1.4
79.01885	1.3
81.03470	4.0
83.01391	9.7
83.05025	1.6
85.02951	4.7
89.02451	2.0
93.03461	2.1
95.01382	2.0
95.05032	17.1
97.02981	4.7
99.00889	0.7
99.04512	0.9
101.02471	4.2
107.05054	4.2
108.02131	0.8
109.02940	1.5
109.06591	12.7
110.02469	0.9
111.04537	5.7
113.02477	3.4
113.06103	4.5
117.75846	0.7
119.05033	1.7
121.02957	2.9
122.03769	4.5
123.04538	5.1
125.02405	0.9
125.06107	1.1
133.06615	0.9
135.04530	2.7
136.05309	1.1
137.02463	1.5
137.06094	27.9
138.06436	1.4
139.04019	28.4
140.04359	1.0
149.06117	1.8
151.04010	7.1
151.07645	10.2
152.07903	1.0
153.05585	4.4
159.03023	0.9
161.04550	9.3
161.06061	2.7
163.03989	1.5
163.07637	0.8
164.04759	1.2
165.01912	2.4
165.04068	1.7
165.05400	1.3
165.09224	1.3
167.03513	1.4
169.04974	2.3
177.02083	1.6
177.05565	1.4
179.03572	0.8
179.07132	5.7
180.04375	1.1
181.05067	79.7
182.05391	4.8
183.10303	2.5
190.21762	0.7
191.07077	1.3
193.05066	14.0
194.05600	1.4
195.06606	3.8
202.79276	0.7
205.05064	1.6
207.06615	4.0
211.06055	4.6
220.03600	1.5
221.04591	1.7
223.06116	47.1
224.06432	2.3
225.04008	5.9
235.06120	3.8
237.04079	0.8
247.05975	1.0
253.07173	11.9
255.05051	0.8
265.07111	0.9
267.05099	100.0
268.05469	7.8
279.05106	2.3
297.06140	40.5
298.06473	3.1
358.89096	0.7
369.08228	4.5
387.09235	14.1
387.16614	6.1
387.20581	0.8
388.09665	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	386.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36378	0.5
50.46061	0.6
56.18987	0.7
57.03436	0.8
59.01375	3.9
60.27319	0.6
61.98827	14.0
64.38567	0.6
69.32209	1.5
69.32626	4.1
71.01357	1.0
72.00903	11.8
83.01391	0.6
83.37981	0.6
85.02956	6.0
86.03288	1.9
89.02438	1.4
98.20666	1.4
101.02435	0.6
103.05579	0.6
107.59224	0.7
113.02450	0.7
119.05026	2.1
120.05365	1.7
121.02936	1.0
128.03523	0.9
139.04041	0.9
147.04518	32.8
148.03540	0.6
148.04832	2.0
151.04048	0.9
163.03983	1.6
164.07153	100.0
165.05608	1.0
165.07472	4.2
173.04460	0.7
191.01991	2.2
191.05603	1.3
192.02271	0.7
195.06622	0.7
209.02983	0.9
284.06741	0.6
341.10947	1.2
386.12247	1.3
387.09317	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18028	4.7
59.01376	19.3
61.98829	47.0
64.89631	4.4
67.58058	4.7
69.40219	42.7
76.84970	4.9
114.05606	100.0
175.80040	5.0
365.87045	5.4
386.30643	60.8
387.30862	12.7
405.90585	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	385.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.5
61.01787	1.4
61.98832	100.0
71.09589	2.3
71.09934	1.4
75.67126	1.1
80.45477	1.2
81.03963	1.2
81.92047	1.2
84.02144	6.0
108.02168	8.3
109.02990	2.4
118.95593	1.3
119.05002	1.6
121.02969	7.6
136.01683	4.3
137.02425	2.2
147.04510	3.6
161.02359	2.0
161.06137	1.8
162.03246	1.3
162.06848	2.5
163.07631	2.2
175.03989	4.5
189.05537	2.7
190.06439	3.1
191.03462	1.6
191.07101	2.6
191.91919	1.4
205.98541	1.3
219.06580	3.9
235.09796	3.1
325.18454	1.9
327.12183	2.1
355.11874	3.1
356.12698	3.0
357.13153	2.0
385.12979	33.7
386.13226	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01711	1.2
61.98838	1.1
69.07184	0.5
70.76232	1.5
73.79431	0.5
74.12086	0.6
85.02959	0.8
102.51176	0.7
105.48979	0.5
139.63812	0.6
154.38589	0.5
171.53883	0.6
200.75241	0.5
385.09464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85168	0.4
59.01379	100.0
60.01722	1.0
61.98827	0.7
70.55289	1.3
72.55614	0.5
93.25978	0.4
106.80237	0.5
160.20445	0.5
219.87355	0.5
283.29633	0.5
382.90771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2232
Annotation	Oleandolide
Peak:m/z	Relative Intensity
55.62531	0.6
57.03439	0.5
59.01379	5.9
61.98833	7.4
66.97865	0.7
67.01883	0.9
71.01392	1.3
71.05023	0.7
71.09138	1.4
85.02963	1.7
89.02445	1.9
91.04014	2.8
97.06618	0.7
121.02969	1.9
122.03723	1.0
125.02487	0.7
136.05374	0.7
137.02478	2.4
147.04510	0.6
150.03152	1.1
165.01982	1.6
167.14357	3.9
177.05588	0.6
187.04039	1.2
189.05586	0.7
193.15961	1.5
202.06352	1.6
205.16136	0.7
207.17490	1.5
220.07339	1.0
223.20674	2.4
233.15422	0.8
249.18550	8.3
267.19644	100.0
268.19958	10.6
275.16528	13.5
276.16879	1.2
293.17584	65.1
294.17947	7.9
311.18610	12.8
367.21280	8.7
368.21542	1.6
385.13080	2.4
385.22302	74.5
386.22729	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	385.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43599	5.4
53.00375	5.7
54.83130	5.3
57.03434	14.0
59.01376	86.6
68.82656	5.2
69.28123	50.0
69.28424	5.4
71.01385	58.6
72.99297	7.7
73.02936	16.3
74.12729	5.6
75.78917	5.3
83.01403	5.4
85.02953	100.0
87.00847	9.6
88.04040	9.0
89.02444	32.3
93.03461	60.1
101.02426	24.8
111.00894	7.4
113.02425	18.5
115.00325	6.6
119.03481	10.6
119.05030	11.5
121.02915	13.7
127.75438	6.4
129.01921	9.4
131.68195	5.5
135.04536	11.6
136.05301	24.4
137.02434	81.5
137.06044	6.1
147.02989	14.5
149.02423	29.7
150.06834	10.6
151.07640	15.9
152.01241	7.3
162.06879	9.5
163.03984	11.6
163.07571	14.0
164.04767	12.5
165.01898	6.0
165.05510	7.0
173.04543	8.2
175.03925	8.4
179.07031	6.4
180.07896	19.5
181.05081	13.3
181.08690	53.6
191.01961	26.4
191.05620	17.5
193.01376	6.8
208.03719	24.0
208.99033	10.6
209.02818	49.7
209.99432	11.9
223.06158	54.2
223.09676	9.7
243.55441	5.9
253.01935	8.8
269.10242	9.6
294.90768	5.9
350.87207	5.6
355.35577	7.1
385.06622	10.4
385.11285	19.5
385.15869	31.1
385.24500	8.9
386.16281	5.9
400.59415	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	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.5
59.01379	100.0
61.98822	1.1
71.01385	5.5
72.99293	1.1
73.02946	2.4
73.62853	0.8
75.00878	2.4
83.01397	1.2
85.02958	3.6
87.28613	0.8
89.02445	4.0
91.79521	0.7
93.03475	1.0
95.01393	0.9
98.12309	0.8
98.20653	2.2
99.00870	0.9
101.02435	3.1
102.98583	1.2
108.02170	32.6
109.03002	7.2
113.02462	2.6
119.03484	1.0
119.04977	1.0
135.03008	9.3
137.02473	2.8
152.01149	18.3
153.01942	4.8
161.04585	1.7
165.01894	0.9
165.09196	2.0
166.02626	0.8
179.10872	1.2
181.05051	3.8
189.76357	0.8
191.01917	1.5
191.05525	1.9
205.12234	1.3
223.10083	0.9
223.13380	4.1
267.12341	1.2
323.12885	1.0
385.11288	24.2
385.19031	1.6
386.11856	3.6
409.57858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60166	0.2
56.11904	0.3
57.03440	1.0
59.01379	5.5
60.99306	0.3
61.15052	0.3
61.98812	0.3
69.81464	1.4
71.01384	3.1
72.99332	0.6
73.02943	0.7
75.00876	0.4
81.03465	0.3
83.01374	0.7
85.02953	6.0
87.00879	1.2
88.98805	1.0
89.02434	1.8
93.03452	1.4
97.02968	0.7
99.00888	0.7
99.04554	0.4
101.02454	1.4
103.04022	0.4
107.05017	0.3
108.02179	1.1
109.02944	0.6
109.06594	0.3
111.00861	0.4
111.04492	0.6
113.02432	0.9
115.03931	0.4
117.03433	0.4
119.05033	1.7
121.02962	2.2
122.03745	8.3
124.01611	0.3
129.01939	2.1
130.08745	1.2
134.03752	4.3
135.04532	1.0
137.02396	2.1
137.06068	1.4
147.02953	0.4
147.04521	0.7
149.02438	9.1
149.06064	0.3
152.01161	0.4
154.02701	0.9
159.02913	0.4
161.04573	1.8
163.04044	0.4
163.07663	0.8
164.04810	6.8
165.05188	0.4
166.06348	0.8
167.03476	1.4
167.07137	0.4
175.04008	0.4
179.03499	0.6
179.05623	2.0
179.07141	0.6
180.07809	0.6
181.08702	100.0
182.09041	6.1
191.01971	1.0
191.05641	1.2
193.05057	4.2
194.05296	0.3
205.05081	0.3
209.04684	0.5
209.06656	4.1
223.06107	11.4
223.09439	0.5
224.06429	0.6
248.77679	0.3
262.80960	0.3
270.10944	0.3
295.08228	0.3
325.12973	2.2
341.08502	0.3
343.13867	1.7
368.60754	0.3
385.11084	3.5
385.15063	0.7
386.18005	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28113	0.2
57.03444	0.9
59.01104	0.4
59.01380	4.3
60.01703	0.2
61.13445	0.2
66.19193	0.2
69.46115	1.8
71.01367	1.5
72.20158	0.2
73.02943	1.4
75.00867	0.3
83.01397	0.5
85.02953	3.0
87.00860	0.2
89.02471	0.6
93.03455	0.8
101.02447	0.9
105.35465	0.2
108.02171	1.1
111.00900	0.4
111.04528	0.8
113.02463	0.4
119.05054	0.7
121.02935	1.2
122.03751	8.3
122.04643	0.5
124.01671	0.6
130.08716	1.6
131.03427	0.3
134.03783	0.6
135.04535	0.9
137.02458	1.9
137.06073	1.8
147.04538	0.5
149.02443	5.2
154.02737	1.1
161.04597	0.4
163.07643	0.5
164.04797	3.5
166.06342	1.0
167.03436	0.5
179.05693	0.5
179.07069	0.5
180.07834	0.5
181.08710	100.0
182.09038	5.6
182.10555	0.5
185.42435	0.3
191.02011	0.7
209.06635	0.3
214.49771	0.3
223.06108	6.8
224.06458	0.3
255.08688	0.3
325.12894	3.4
343.14014	1.9
385.11438	0.9
385.15228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01722	1.2
71.01373	1.0
73.02953	0.9
85.02956	1.1
89.02464	0.5
101.02451	0.7
105.36634	0.3
149.02444	0.7
164.04858	0.4
167.03497	0.4
178.03246	0.5
179.05637	0.6
181.08794	0.5
223.06223	0.4
395.29211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.1
61.98824	2.8
69.45370	1.4
69.45798	1.7
69.83266	0.5
71.01383	1.7
85.02964	4.0
87.08309	0.5
89.02441	1.1
93.64214	0.5
98.19881	0.5
99.04530	0.8
101.02441	0.7
113.02456	1.4
119.05042	0.5
121.02954	0.6
123.04494	2.7
125.02390	0.5
128.03534	0.5
134.03712	0.9
135.04515	12.7
136.05295	60.9
137.05559	2.3
147.04562	0.6
148.05287	5.0
149.06099	3.2
150.06857	15.4
151.07639	23.9
152.07994	1.2
161.02444	1.2
161.06032	0.7
162.06854	19.0
163.04002	9.4
163.07642	22.4
164.04359	0.6
164.08015	1.2
165.05571	10.2
166.02739	0.5
166.06320	6.0
167.07127	7.0
168.07394	0.5
175.03975	5.5
177.05698	0.6
177.09195	0.4
178.06360	0.4
179.07143	1.1
180.07904	27.2
181.05208	1.9
181.08690	100.0
182.09039	5.5
191.01730	4.3
191.05626	0.7
205.12302	0.5
207.10316	0.5
209.02751	34.7
209.11652	0.5
210.03032	2.5
223.09782	0.5
223.13213	0.5
235.00822	0.5
243.03148	0.5
253.01723	9.3
254.02054	0.6
325.12805	2.3
338.79510	0.4
343.14084	0.5
385.05984	9.0
385.15054	3.5
386.06439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01717	1.3
71.01388	6.0
71.31481	0.8
73.02962	1.6
75.00876	1.2
79.16154	0.6
81.20506	0.5
83.01438	0.9
83.96959	0.6
85.02975	2.6
85.11515	0.6
88.97454	0.6
94.99408	0.5
95.01418	0.6
97.02941	0.6
99.00887	1.0
101.02454	4.0
109.02993	0.6
113.02457	3.1
124.72509	0.6
125.02477	1.5
129.35150	0.6
135.03056	1.4
137.02487	2.3
148.05312	12.3
159.02991	1.4
161.04559	9.2
163.07664	11.0
165.01991	1.7
179.05693	1.1
179.10870	0.7
223.13358	1.3
267.12393	1.0
316.30353	0.6
354.29291	0.6
364.73291	0.7
385.13980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81557	1.0
57.03447	4.1
59.01376	87.8
61.98835	1.2
69.03461	1.2
69.32777	2.5
69.33190	5.8
71.01405	2.1
71.05000	1.2
71.24409	1.0
72.99294	2.0
75.00869	25.0
76.15591	1.0
81.03488	1.3
83.01401	4.7
83.04990	1.4
85.02954	1.5
87.00883	1.6
89.02422	5.0
90.85378	1.0
93.03458	2.5
96.33764	1.0
97.02974	2.1
107.05087	1.2
108.02137	1.5
109.02932	5.1
117.01947	1.7
121.02980	3.9
122.03757	6.0
123.04563	1.9
124.01646	1.0
125.02460	14.9
131.41980	1.0
135.02989	100.0
136.03323	2.3
137.02432	37.2
138.03056	1.6
148.05397	1.2
150.03210	11.2
151.04010	2.3
154.02794	1.1
159.04485	1.5
161.02411	2.7
161.13377	1.7
163.11287	2.3
164.01147	3.5
165.01929	21.5
166.02583	1.8
167.03487	2.4
169.06639	1.1
173.06004	1.5
173.46738	0.9
175.04012	2.1
177.09206	2.4
179.03444	6.0
179.05580	1.6
187.07654	1.7
189.09216	1.4
191.10768	1.2
201.05534	3.4
201.09215	1.9
204.04279	1.1
205.08636	2.1
205.12376	1.4
207.10146	1.6
217.08623	1.2
219.06656	1.5
219.10262	2.0
223.13373	39.8
224.13722	2.9
229.08736	1.1
247.09776	2.2
259.06180	2.0
261.07715	1.2
267.12344	17.8
268.12640	1.3
269.04446	2.3
287.05661	5.0
288.06415	5.6
313.14294	1.0
341.13980	1.9
385.15356	47.8
386.15094	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1292
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
51.96223	1.2
59.01371	3.8
61.98587	1.2
61.98833	14.2
63.67105	1.1
65.41044	1.1
69.03452	1.4
70.54906	1.3
70.55247	3.6
71.01421	1.4
84.02167	17.5
93.03481	2.7
95.01397	1.1
107.05051	2.3
108.01468	2.1
108.02177	28.9
109.02994	7.8
115.06600	1.4
116.01362	1.2
119.05032	2.7
121.02952	21.9
122.03707	2.0
123.00899	1.9
123.04478	1.6
131.05014	1.9
133.02933	1.5
133.06604	1.3
134.03760	1.8
135.04524	2.5
136.01657	13.3
137.02446	10.0
143.05022	1.5
145.02907	2.1
145.06642	1.5
146.52223	1.5
147.04541	7.8
147.08212	1.4
148.05408	1.6
149.02409	3.7
150.03235	4.4
150.44234	1.2
153.06392	1.2
154.58022	1.1
159.04553	2.5
161.02470	4.3
161.06096	6.9
162.03201	2.3
162.06844	7.4
163.03955	4.9
163.07643	6.3
165.01938	6.3
173.06104	2.2
174.03189	2.0
175.03987	16.3
176.04692	4.5
177.05348	1.4
182.02194	2.8
187.04034	2.7
189.05556	5.6
190.06335	13.6
191.03542	5.2
191.07133	6.0
193.05069	1.8
201.23419	1.3
202.06541	1.7
204.04185	4.0
205.05043	2.2
205.08624	1.7
219.06607	11.4
220.07417	3.8
222.05247	1.6
235.09705	9.7
284.10516	1.6
289.18262	1.2
299.12897	1.6
327.12268	5.8
339.12244	1.7
355.11896	9.2
356.12598	11.9
357.13510	4.2
367.11682	1.7
384.04507	1.3
385.12927	100.0
386.13269	13.7
393.13953	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	385.129
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
50.77055	1.4
55.25604	1.5
59.01371	4.9
59.76746	1.4
61.32067	1.5
61.98820	4.3
63.23672	2.0
67.01875	1.5
69.03449	2.7
71.54750	1.7
73.71263	1.4
83.01379	1.8
84.02172	17.8
85.02948	1.8
93.03472	4.1
94.41801	1.8
101.09369	1.6
108.02177	30.5
109.02952	7.0
119.05029	2.5
121.02954	25.7
122.03750	2.2
123.00861	1.9
123.04593	2.3
131.04979	2.1
133.02950	2.4
133.06641	1.8
135.04561	2.3
136.01666	12.3
137.02408	7.0
145.02921	3.2
147.04529	7.8
149.02414	3.4
149.06178	1.8
150.03224	3.8
159.04469	2.8
161.02454	4.0
161.06056	4.1
162.03203	5.1
162.06891	7.4
163.03995	4.5
163.07619	4.2
165.01974	8.6
175.04002	17.3
176.04654	3.1
177.05460	2.5
182.02251	3.4
187.04063	2.4
189.05592	4.9
190.06334	9.6
191.03493	5.4
191.07086	4.0
204.04259	4.7
217.49934	1.8
219.06577	10.7
220.07341	3.8
234.05392	1.8
235.09818	5.5
257.00189	1.6
305.21964	1.5
310.08276	1.8
327.12350	5.1
355.11798	8.9
356.12576	14.7
357.13321	5.6
385.12921	100.0
386.13196	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	385.129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79568	0.9
59.01378	3.7
61.98840	4.3
68.99803	1.0
69.45496	7.3
85.02951	3.2
91.01941	1.0
105.03464	1.2
107.05022	3.0
108.02206	1.6
109.02974	3.6
111.00901	1.4
121.02943	4.4
133.02954	6.0
133.06516	1.5
135.04510	1.8
137.02478	3.0
146.04012	3.0
149.02429	6.0
150.49860	1.0
151.00360	1.5
151.03998	1.5
159.04521	2.2
161.02571	1.2
161.06079	2.4
161.07324	1.0
163.03973	1.3
166.02695	3.1
175.03998	2.2
177.01927	10.9
177.05547	3.8
181.04993	1.3
187.04099	1.8
190.02673	1.0
202.02718	1.8
205.05067	4.9
218.53485	0.9
233.11453	1.1
245.75218	1.1
269.00867	1.4
283.09857	2.2
284.03262	1.2
306.75687	1.0
313.07220	1.3
325.07211	1.6
327.08597	5.6
355.08212	100.0
356.08557	10.3
370.10550	77.2
371.10977	10.5
385.12933	30.6
385.16797	0.8
386.13330	3.1
386.21432	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
60.80915	0.4
61.98833	0.7
65.03960	0.9
66.08406	0.4
66.96741	0.4
68.99807	0.7
69.03452	1.5
70.53796	0.4
70.91425	1.0
75.10030	0.4
79.01872	0.5
80.02689	0.5
80.32294	0.5
83.01405	0.7
84.02170	17.9
85.02985	0.8
87.32804	0.4
91.01935	0.7
91.05552	0.7
93.03473	4.0
95.01350	1.0
97.02952	1.1
102.04760	0.6
103.05542	1.5
105.03430	0.5
107.01396	0.8
107.05064	1.0
108.02183	27.7
109.02982	6.3
117.03480	0.6
117.07101	0.9
119.05032	2.6
121.02963	24.6
121.06524	0.6
122.03853	2.3
123.00877	2.0
123.04528	1.8
124.01729	0.5
125.02451	0.7
129.03410	0.6
131.05070	3.6
133.02954	1.6
133.06580	1.0
134.03714	1.6
135.00902	1.0
135.04524	3.0
136.01678	14.8
137.02460	8.9
138.03006	0.4
139.57170	0.4
143.05063	0.8
145.02959	1.6
145.06612	0.8
146.03760	1.1
147.04541	9.4
147.08134	0.8
148.05350	2.5
149.02470	4.5
149.06053	0.9
150.03246	4.7
151.04007	1.7
158.03741	1.3
159.04529	1.9
160.05363	0.7
161.02419	4.0
161.06081	6.0
162.03226	5.4
162.06877	6.5
163.04015	4.8
163.07657	4.7
164.04761	0.7
165.01929	5.4
166.02246	0.6
171.04536	1.0
172.05348	1.0
173.02426	0.4
173.06070	1.6
174.03256	1.3
175.04016	14.5
176.04788	3.5
176.61081	0.5
177.05525	1.6
178.02585	1.0
179.03519	0.7
179.07050	0.6
182.02234	2.9
182.58208	0.5
187.04044	3.0
188.04675	1.0
189.05577	7.3
190.06352	14.4
191.03514	5.3
191.07117	7.2
192.07463	0.5
193.05040	1.8
193.08707	1.0
201.05630	1.2
202.06357	1.6
204.04318	4.2
205.04996	1.6
205.08691	2.6
216.04237	1.7
217.08661	1.2
219.06625	11.2
220.07335	2.9
222.05333	1.1
234.05313	1.4
235.09726	7.8
267.06598	0.5
267.19589	0.6
270.64105	0.5
279.06735	1.0
281.08112	0.6
282.08862	0.9
283.09598	0.6
284.10501	0.9
296.10495	0.5
297.07901	0.5
298.11996	0.8
299.12933	1.7
309.07755	1.0
309.11206	0.6
312.09833	0.8
323.08893	0.4
324.09854	0.6
327.12357	6.6
328.12900	0.8
339.12357	1.5
340.09268	0.7
341.10306	0.8
342.11060	0.7
352.09113	0.6
355.11884	7.8
356.12622	12.6
357.13284	4.4
367.11911	1.2
385.12936	100.0
386.13306	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	385.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68527	0.7
68.99806	0.9
69.03440	1.5
77.98445	0.6
78.32060	0.7
81.14677	0.6
83.01389	1.2
84.02164	15.0
93.03472	3.5
95.01328	0.7
97.02941	1.4
98.85901	0.7
103.05516	1.2
107.05033	2.2
108.02171	26.6
109.02995	7.5
117.07081	0.9
119.05030	1.8
121.02960	22.8
122.03835	3.2
123.00895	1.4
123.04521	1.6
131.05016	2.7
133.02946	1.8
133.06595	1.3
134.03690	1.2
135.04512	3.0
136.01668	14.1
137.02441	12.2
143.04993	0.9
145.02939	2.4
145.06563	1.2
146.03810	0.7
147.04507	7.6
147.08147	1.2
148.01659	0.7
148.05238	1.9
149.02446	3.5
149.06110	1.0
150.03215	5.3
151.03978	2.2
159.04480	2.2
160.05270	0.7
161.02420	2.9
161.06046	7.0
162.03166	3.5
162.06873	5.2
163.04004	4.5
163.07663	4.5
164.04662	1.3
165.01947	7.6
171.04474	1.0
172.05237	1.1
173.06024	2.0
174.03192	1.0
175.03998	15.8
176.04793	4.2
177.05579	1.3
177.84781	0.7
178.02762	0.8
179.03404	0.7
179.07181	0.9
182.02205	1.3
187.03966	2.9
189.05573	7.0
190.06332	14.6
191.03513	6.6
191.07118	7.9
193.05055	1.1
193.08798	0.8
201.05656	1.1
202.06296	1.3
204.04239	4.8
205.04922	1.4
205.08662	3.4
216.04350	0.9
217.08708	1.0
219.06606	9.6
220.07341	4.1
234.05252	1.5
235.09772	7.4
263.07187	0.8
279.06534	0.9
284.10767	0.8
296.10449	0.8
298.12027	1.1
299.12830	1.0
309.07593	1.1
312.09845	1.7
327.12332	5.0
339.12195	1.3
341.10248	0.8
355.11856	7.6
356.12589	10.4
357.13058	4.3
367.12076	1.5
385.12906	100.0
386.13226	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	385.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.2
65.03983	0.6
67.01874	0.6
67.40861	0.3
68.99807	1.2
69.03465	1.9
71.01376	0.7
77.99483	0.3
79.01875	0.6
79.05501	0.4
81.03469	0.7
83.01371	0.7
83.05004	0.3
84.02167	18.7
85.02943	1.0
93.03458	3.9
95.01397	1.6
95.05009	0.5
97.02946	1.1
98.20860	0.6
102.04704	0.3
103.05533	1.7
105.03490	0.6
107.01392	0.5
107.05025	1.5
108.02174	28.8
109.02987	7.3
110.00034	0.3
111.00901	0.5
115.05534	0.4
117.03445	0.7
117.07127	0.5
119.05055	2.6
119.08656	0.4
121.02957	23.4
121.06548	0.4
121.30575	0.3
122.03851	2.4
123.00877	1.8
123.04545	1.8
124.01767	0.4
124.88827	0.4
125.02468	0.4
130.04192	0.3
131.05037	2.9
133.02959	1.3
133.06558	1.1
134.03732	1.8
135.00858	1.2
135.04535	3.3
136.01662	16.0
136.05270	0.8
137.02460	8.3
143.05016	1.1
145.02927	2.2
145.06584	1.1
146.03712	1.4
147.04524	9.1
147.08141	0.9
148.01683	0.4
148.05318	2.1
149.02449	4.8
149.06062	1.2
150.03218	4.6
151.04034	2.5
151.51077	0.3
157.06679	0.3
158.03751	1.0
159.04518	2.1
160.05331	1.1
161.02435	4.8
161.06081	6.0
162.03249	3.6
162.06857	6.2
163.04002	5.8
163.07655	4.5
164.04732	1.4
165.01936	6.8
168.04196	0.4
171.04523	0.8
172.05293	0.9
173.02466	0.5
173.06061	2.1
174.03215	1.8
175.03998	16.3
176.04770	3.9
177.05548	2.0
177.09212	0.5
178.02710	0.8
179.03412	0.8
179.05708	0.7
179.07179	0.7
180.05852	0.5
182.02206	2.1
187.04056	2.3
188.04716	1.7
189.02011	0.7
189.05571	8.1
190.06354	13.2
191.02066	0.2
191.03502	5.8
191.07109	6.7
192.04164	0.5
192.07483	0.4
193.05066	1.6
193.08711	0.5
201.05591	0.8
202.06334	1.2
203.03584	0.7
204.04262	4.5
205.04964	1.9
205.08670	2.8
208.03764	0.5
209.06165	0.4
213.10365	0.6
216.04243	0.7
217.04926	0.6
217.08681	1.0
219.04565	0.7
219.06609	10.5
220.07310	3.7
222.05223	0.7
230.02432	0.5
234.05185	1.6
234.08990	0.4
234.72601	0.4
235.07487	0.5
235.09747	7.6
236.10117	0.5
247.09807	0.5
266.05859	0.5
267.06583	0.8
279.06516	0.9
281.08154	0.7
282.09116	1.1
284.10587	0.6
293.08237	0.4
294.09039	0.6
295.09695	0.4
297.07755	0.4
297.11243	0.6
298.11932	0.9
299.12991	1.3
309.07739	0.9
309.11169	0.5
311.09082	0.4
312.09949	0.7
323.09155	0.8
324.09924	0.6
326.07932	0.7
326.11288	0.7
327.12317	5.6
328.12668	0.5
332.22131	0.3
339.12393	1.3
341.10324	1.6
342.10834	0.4
345.08630	0.4
352.09369	0.7
355.08148	0.5
355.11841	8.5
356.12595	12.4
357.13278	4.9
357.17361	0.5
358.13837	0.7
367.11801	1.4
385.12918	100.0
386.13239	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	385.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21315	0.4
65.03973	0.4
67.01890	0.9
68.99805	1.9
69.03447	1.7
71.23906	0.9
75.84937	0.4
77.07500	0.4
79.33980	0.4
80.02682	0.5
81.03458	1.2
83.01363	0.6
84.02158	4.3
92.78658	0.4
93.03453	2.2
95.01368	0.6
95.05062	0.5
97.02931	0.6
105.03475	0.5
107.01400	0.5
107.05035	0.8
108.01461	0.8
108.02169	11.4
109.02962	5.0
117.07123	0.6
119.04996	1.3
121.02951	4.1
122.03759	2.7
123.00877	2.3
123.04498	1.4
124.01659	0.6
130.04234	0.7
131.05013	1.6
133.02953	1.9
133.06625	0.9
134.03697	0.5
135.04527	2.3
136.01649	13.3
137.02441	8.5
139.03937	0.4
143.05038	0.8
145.02896	1.4
145.99889	0.4
146.03745	1.1
147.04532	3.6
147.08163	0.8
148.05327	1.9
149.02477	2.1
149.06046	1.0
150.03215	1.8
151.00296	0.5
151.03957	2.5
158.03745	0.6
159.04465	1.7
161.02455	3.7
161.06041	2.3
162.03195	2.5
162.06851	1.6
163.04015	4.8
163.07651	5.3
165.01927	6.4
171.04536	0.8
172.05231	0.8
173.06039	1.8
174.03152	1.0
175.03987	7.7
176.04768	2.8
176.82477	0.4
177.05544	2.4
179.03470	0.5
182.02188	1.6
186.03159	0.5
187.03941	1.2
189.05542	3.1
190.06332	4.3
191.03516	3.7
191.07100	4.9
192.07481	0.6
193.04985	0.9
201.05533	1.2
203.03421	0.5
204.04195	2.9
205.08554	0.5
216.04233	0.5
217.08572	0.6
219.06589	10.8
220.07198	1.3
235.09741	0.9
281.08069	1.0
288.06320	0.8
307.05963	0.9
309.07776	0.5
327.12366	1.9
339.12411	0.6
340.09277	0.5
341.10236	0.5
355.11780	3.4
356.12448	1.4
357.13132	1.0
367.11929	0.5
385.12900	100.0
386.13245	11.4
386.18140	0.8
392.34430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30448	0.5
59.01368	2.3
61.98832	4.1
68.05281	0.5
68.99810	1.4
69.03456	3.1
71.54014	1.1
72.58321	0.5
81.03441	0.7
84.54447	0.5
93.03472	3.0
95.01428	0.8
107.05009	1.3
108.02170	11.7
108.02892	0.6
109.02951	2.6
111.00862	1.1
117.03438	0.6
119.05032	1.3
121.02959	21.7
122.03809	2.9
123.00893	1.8
123.04520	3.1
125.02451	0.5
131.05020	0.9
133.02966	1.1
134.03716	1.0
135.04533	4.4
136.01660	26.5
136.82881	0.6
137.02490	6.3
143.05013	1.7
145.02931	0.9
145.06660	0.6
146.03680	1.1
147.04518	3.2
149.02434	1.3
149.06001	1.1
150.03258	0.8
151.03999	7.4
151.27388	0.5
158.03757	1.1
159.04477	2.1
160.05130	0.6
160.20021	0.5
161.02423	2.3
161.06100	1.5
162.03206	2.7
163.03975	4.0
165.01921	2.5
173.06090	0.9
173.96649	0.5
175.04030	3.9
176.04750	3.9
177.05582	3.9
182.02428	0.6
187.04016	9.5
188.04521	1.0
189.05576	1.7
190.02660	0.9
190.06349	1.1
191.03514	1.0
191.07076	1.7
193.05122	0.8
202.06335	6.6
203.03481	0.8
203.06693	0.6
204.04271	0.7
205.05017	1.9
205.08693	0.7
207.10249	1.7
217.08792	1.2
218.05780	0.9
219.06645	0.7
220.07341	2.4
235.09833	4.3
242.05359	0.6
267.06628	0.6
291.70752	0.5
294.08920	0.7
312.10068	1.1
313.10861	0.8
327.08621	2.0
327.12122	0.8
341.10315	1.6
342.10971	2.0
355.08206	0.9
356.12503	3.2
357.13376	3.3
370.10587	12.3
371.10651	1.0
385.12912	100.0
386.13284	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	385.1142
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
53.17091	0.5
57.03442	0.8
59.01380	10.9
69.20261	3.8
69.20669	0.6
71.01382	6.5
72.99306	0.8
73.02947	3.0
74.67619	0.5
75.00861	2.9
81.03455	2.7
83.01382	0.7
85.02954	7.0
87.00881	1.5
87.85432	0.5
88.98811	0.5
89.02446	8.5
91.05549	0.7
93.03489	0.7
95.01386	1.5
96.96053	0.7
97.02988	0.7
99.00883	0.9
99.04533	2.2
101.02466	0.8
107.05009	0.5
111.00901	0.5
113.02462	2.1
117.03465	1.2
119.05024	1.6
119.65185	0.5
121.02972	10.7
130.08786	0.7
131.03539	0.8
132.02165	1.4
135.04535	1.1
137.02469	0.5
143.03496	2.0
147.03270	0.7
147.04509	5.7
149.02444	71.9
150.02769	2.9
152.01172	1.4
161.04556	16.4
163.04057	1.4
164.04799	56.3
165.05130	3.3
167.03468	1.2
169.05122	0.6
179.05617	13.5
179.07161	3.3
181.08664	1.8
190.02745	0.6
191.01892	1.3
193.01433	1.5
193.05046	0.6
208.03767	3.6
209.06648	0.5
223.06117	100.0
224.06421	6.1
325.12906	0.9
385.11346	6.6
386.11725	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1142
Annotation	1-O-b-D-glucopyranosyl sinapate
Peak:m/z	Relative Intensity
50.92575	0.4
57.03431	0.4
59.01383	10.1
69.57614	2.5
71.01386	5.2
72.99303	0.6
83.01390	0.4
85.02955	3.2
89.02444	4.2
91.01904	1.1
93.03492	0.5
95.01376	0.4
99.10795	0.4
101.02451	2.9
113.02453	2.0
119.01371	3.4
119.03521	1.6
119.21123	0.4
121.02920	0.8
134.03773	0.5
135.04573	0.5
147.00903	3.4
149.02455	5.2
156.82619	0.4
161.02303	0.5
164.04803	6.8
165.01907	0.6
165.05386	0.5
175.00363	25.5
176.00693	1.4
179.07158	1.9
181.05087	1.4
189.02014	1.3
190.02719	67.9
191.03110	4.4
193.01509	0.5
202.38358	0.4
205.05054	100.0
206.05438	5.8
208.03766	0.8
217.01381	0.6
221.04607	0.7
221.08197	1.4
223.06111	18.8
224.06464	1.2
232.03824	1.3
247.06139	6.1
265.07245	3.1
285.47073	0.4
295.08310	0.9
309.56268	0.4
325.09406	2.5
385.11496	6.3
386.11935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12096	0.2
58.43146	0.2
59.01382	3.4
61.98832	0.5
65.00337	0.4
69.03472	0.2
71.01373	1.0
71.54421	0.3
72.99299	0.3
73.02937	0.5
75.00883	0.7
77.80198	0.2
83.01408	0.5
85.02942	1.2
89.02453	0.7
93.03446	0.4
95.01414	0.7
97.02937	0.5
101.02453	0.6
105.03458	2.1
113.02436	0.6
121.02959	0.4
122.03728	0.8
123.00889	0.5
124.01631	1.1
135.02992	2.2
135.04559	0.4
135.11812	0.5
137.02437	0.8
137.06094	2.5
137.09789	0.3
138.03232	6.0
139.04021	2.7
149.02428	0.3
149.06099	0.2
149.99606	0.3
151.00371	1.0
153.01929	0.4
155.10727	0.3
161.09702	0.5
163.03978	0.3
165.01929	1.5
165.05553	0.9
166.02713	42.2
167.03033	1.7
179.03474	1.3
179.05565	0.2
179.10751	2.2
180.04135	0.2
180.11067	0.2
181.05066	100.0
182.05408	4.7
198.01660	0.3
205.05000	0.3
211.90027	0.2
220.19977	0.2
223.06281	1.2
223.09763	1.2
223.13383	0.7
248.15231	0.2
267.16031	0.3
349.18680	0.3
384.66605	0.2
385.15070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.7
59.01372	5.8
70.81587	1.7
71.01382	1.5
71.07870	0.6
83.01400	0.8
85.02951	25.6
95.88620	0.6
111.00882	0.8
119.05024	93.2
120.05359	4.5
129.01961	2.2
134.03712	0.7
147.02954	1.8
147.86674	0.6
163.04001	100.0
164.04324	4.6
169.44577	0.7
191.01979	8.2
209.03026	2.4
277.94089	0.7
325.09332	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23176	2.1
59.01379	39.6
69.43855	15.8
71.01379	13.9
73.02947	15.1
83.01388	4.7
85.02955	9.4
89.02457	8.3
93.02865	4.5
93.03455	79.3
94.03815	2.7
95.01431	2.0
101.02429	16.7
113.02457	6.4
119.03529	5.6
119.05021	15.9
135.04526	3.9
136.05350	2.7
137.02446	100.0
137.98701	2.2
138.02853	2.9
145.37665	2.3
161.04514	3.6
162.06801	3.8
163.04056	3.2
163.07617	3.3
164.04839	3.3
180.07869	7.2
181.08701	7.8
208.03813	2.4
209.02766	12.1
223.06047	4.8
253.01747	3.6
276.31400	2.4
281.10281	13.1
299.11380	5.8
325.12933	3.0
328.82996	2.3
333.80634	2.3
341.12613	3.7
342.77402	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04125	0.6
55.01864	2.0
57.03452	13.6
59.01377	7.3
61.98821	0.9
69.52336	3.6
71.01386	2.9
72.99308	1.4
75.00881	1.7
83.01396	2.3
84.02177	2.9
85.02955	100.0
86.03301	2.8
87.00874	1.5
88.71880	0.5
89.02435	0.6
101.02470	0.7
103.00378	2.1
111.00878	3.5
115.00363	0.9
129.01955	9.9
130.02213	0.6
133.34671	0.5
134.03743	3.4
147.02995	13.4
149.02426	0.6
161.14526	0.5
173.00940	1.7
191.01981	28.8
192.02228	0.8
193.05052	1.4
209.03040	6.7
210.03549	0.5
223.04411	2.8
380.31421	0.5
385.07678	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.4
57.03450	13.6
59.01379	9.1
61.98833	1.2
68.99800	1.2
71.01392	4.7
71.07279	0.9
72.99305	1.6
73.02930	1.0
75.00877	1.1
78.95908	12.1
81.03463	0.5
83.01387	4.2
84.02168	2.8
85.02954	100.0
86.03279	2.5
87.00851	1.6
89.02445	1.8
93.03469	1.5
96.95990	1.7
96.96964	28.8
97.02925	0.8
101.02434	1.6
103.00411	1.2
109.02980	0.8
111.00874	5.0
111.04518	0.6
114.05598	2.6
115.00341	1.2
119.04993	4.0
123.04494	1.3
125.02448	1.2
129.01071	0.8
129.01956	7.4
131.08257	0.7
133.01436	0.7
134.03748	3.8
135.04570	0.9
137.02484	0.6
145.44191	0.5
147.03011	12.0
151.04007	1.5
163.04030	4.1
165.04131	0.6
167.03481	1.0
173.00922	1.4
173.04543	1.8
173.10457	1.3
179.03487	1.3
179.05731	0.6
191.01990	26.5
191.05519	2.5
192.02368	0.9
193.01520	0.6
193.05064	2.5
195.03008	0.9
205.03542	2.2
209.01077	0.7
209.03015	7.8
211.06105	1.3
223.04533	7.6
235.02347	0.9
237.03981	3.8
265.03467	4.5
267.05093	2.2
295.04626	2.4
367.06598	0.7
385.07510	5.4
385.11078	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
69.51102	2.6
69.51506	1.0
70.96008	0.4
71.01379	0.8
73.02934	0.5
75.90578	0.4
76.28790	0.4
85.02956	1.1
103.04015	0.6
119.04979	0.5
131.05011	0.5
135.04524	39.1
136.04857	2.0
137.02438	0.6
137.32951	0.5
139.03998	1.0
145.02954	1.0
147.04510	4.1
149.04521	1.1
149.05879	0.5
157.02953	0.5
158.03773	0.6
159.04448	0.9
161.02446	3.2
162.03207	0.8
163.04004	26.0
164.04329	1.8
166.02672	1.8
174.03186	1.0
175.03998	16.9
176.04716	0.7
181.03278	2.4
181.05046	4.0
185.00146	0.5
191.01741	11.5
192.02023	0.6
192.99619	0.9
194.00398	0.7
209.02766	100.0
210.03094	6.3
231.04167	0.6
253.01747	24.4
254.02052	2.1
271.02509	1.0
295.02759	1.0
304.06921	4.7
304.57022	1.1
385.05972	30.4
386.06192	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	385.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93427	0.5
55.01874	2.7
57.03448	12.8
59.01377	8.5
61.98825	1.0
68.99819	1.1
71.01380	5.3
72.99306	1.5
73.02930	0.8
74.00084	0.4
75.00882	2.4
83.01386	3.7
84.02167	3.0
84.45177	0.5
85.02953	100.0
86.03283	2.0
87.00888	1.1
87.24828	0.5
89.02459	0.7
93.03449	0.6
98.19881	1.3
101.02458	1.1
103.00383	1.5
111.00894	5.2
115.00417	1.1
129.01935	7.4
133.01425	1.0
134.03738	5.0
137.02518	0.7
147.02991	12.3
149.02451	2.4
157.05183	0.5
164.04820	2.0
173.00926	1.7
181.05090	0.5
190.02808	1.0
191.01978	31.0
192.02319	1.4
193.05070	2.9
196.64401	0.5
205.05022	1.1
209.01059	0.7
209.03032	10.6
221.04579	0.5
223.06195	3.7
235.48120	0.5
241.41751	0.6
356.17725	0.5
367.06754	0.7
369.90659	0.6
385.07828	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	384.312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77262	1.4
59.01383	100.0
60.01718	2.2
61.64855	1.7
61.98813	5.8
71.09724	3.1
129.77538	1.4
158.26794	1.4
179.92812	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	384.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43216	0.8
57.03456	1.6
59.01367	2.1
61.08269	0.6
61.98822	2.6
68.04385	0.7
77.45096	0.7
82.90144	0.7
85.02930	1.5
91.40867	0.7
93.03449	0.8
101.00143	0.7
103.05521	1.1
114.05594	2.1
114.88404	0.8
118.81694	0.8
121.85783	0.8
126.97295	0.8
130.08739	1.4
130.46886	0.8
136.03966	1.1
140.07083	0.9
141.07114	0.9
146.03693	1.0
156.10318	1.3
157.06627	0.8
159.04510	2.1
172.05296	4.5
173.02493	1.4
173.06059	12.7
181.06535	1.5
185.06055	3.2
187.04027	6.4
188.04803	9.6
189.05157	1.1
195.04466	3.3
196.05180	0.9
197.06024	2.5
199.04033	1.4
199.07646	1.6
200.04716	1.0
201.05511	4.6
202.06345	0.9
204.04272	5.9
209.06126	2.0
209.09647	0.9
210.06833	1.8
211.07439	0.8
213.05621	5.4
214.06306	2.6
221.09680	1.1
223.11279	9.5
224.11694	1.0
225.09189	1.0
225.12965	0.8
227.07100	2.2
227.10738	2.2
228.07831	1.7
231.08157	1.0
233.09631	5.7
239.10721	0.9
241.12303	8.0
249.09145	3.6
250.09450	0.8
251.10745	7.6
252.11018	0.9
267.10205	3.8
269.11850	1.0
277.08594	1.0
290.11804	3.0
325.09924	0.8
342.16986	1.0
350.20947	1.1
356.18671	15.4
357.19070	2.2
366.17331	1.2
384.18140	100.0
385.18411	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	384.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80090	1.0
57.03450	2.0
59.01380	2.7
61.98816	3.9
69.69561	5.1
72.04533	1.8
73.42772	0.9
85.02946	2.3
88.74815	0.8
100.72560	0.9
114.05627	3.1
114.06422	0.9
134.60716	0.9
135.97139	1.0
156.10298	3.3
159.04453	1.4
172.05295	5.5
173.02397	1.7
173.06082	8.4
175.03964	1.5
177.05542	1.3
181.06670	1.4
185.06105	3.6
187.04016	6.3
187.07550	1.1
188.04793	4.7
195.04497	4.3
197.06067	2.4
199.07570	2.1
199.11237	1.2
200.04718	2.3
201.05569	3.9
202.06352	2.6
204.04204	4.8
209.06059	3.1
210.06705	1.6
213.05550	6.5
214.06310	4.0
223.11269	9.4
224.11668	1.4
227.07162	3.2
227.10817	1.4
228.07887	1.5
233.09665	3.9
235.07629	1.4
235.09886	1.4
241.12323	7.7
249.09196	3.2
251.10764	6.2
267.10275	2.7
277.08652	1.4
290.11996	2.1
350.51678	0.9
356.18661	12.9
366.17078	2.2
384.18152	100.0
385.13593	1.4
385.18503	13.8
400.54013	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01072	2.1
59.01378	70.6
61.98830	100.0
71.01392	4.5
73.02925	2.0
85.02957	4.6
99.27115	1.4
101.02424	4.2
102.70055	1.7
106.85368	1.6
113.02451	2.5
121.02876	2.0
137.02472	3.5
149.02444	15.3
160.06134	3.5
161.04544	4.3
162.77058	1.5
164.04788	10.5
175.00325	3.9
190.02742	8.2
193.01384	2.0
205.05084	10.3
211.05159	1.5
223.06122	24.4
235.11844	6.8
277.13043	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	384.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37023	1.8
55.91411	1.8
57.09945	1.7
59.01381	100.0
61.98819	6.0
69.76060	9.3
84.01511	1.7
84.77540	1.8
85.02931	4.0
85.45673	1.7
120.04555	4.0
195.10895	2.1
226.05560	1.7
240.10405	9.4
272.61761	2.0
281.70053	2.1
407.08246	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	384.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	17.9
61.98835	100.0
70.06305	2.7
71.01401	1.8
73.92938	0.7
84.11287	0.6
85.02984	1.8
92.54321	0.6
102.00258	0.6
182.76282	0.7
188.25261	0.7
227.63048	0.6
235.11882	3.3
277.12808	1.4
309.08011	0.7
385.39713	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
70.56671	1.6
71.44508	3.2
72.25695	1.7
194.79492	1.9
357.55289	1.7
384.66440	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	383.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42939	0.5
53.26323	0.7
59.01382	100.0
60.01723	0.9
60.35015	0.6
61.98827	1.6
62.16563	0.5
70.08010	1.3
70.08411	1.3
118.48288	0.5
191.99646	0.6
206.76167	0.6
266.42578	0.5
277.54248	0.6
347.26041	1.4
365.27319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77219	1.0
59.01380	100.0
61.98825	4.5
69.01699	1.2
69.54060	8.4
83.76715	1.3
86.40430	1.2
101.02460	1.3
108.86705	1.3
124.10225	1.3
127.01635	1.1
137.09740	2.6
187.13405	1.2
262.00562	1.4
298.15570	2.1
302.00681	1.5
316.85175	1.3
355.06500	1.6
383.28067	1.7
385.70007	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	383.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82806	0.8
59.01379	6.1
61.98832	100.0
67.47787	0.8
71.17563	1.5
80.91701	1.0
102.73189	1.0
117.76596	0.9
160.05276	1.2
164.22220	0.8
225.75977	1.0
301.18188	5.7
388.02316	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65082	19.0
56.52428	19.1
57.35960	20.0
59.01376	100.0
61.98829	56.7
62.64083	19.0
71.01388	24.0
71.45161	30.3
82.15236	20.7
96.96010	24.2
101.02419	24.4
101.06099	24.0
116.23296	19.3
120.99665	19.9
121.03011	23.6
245.32005	23.6
330.51328	21.7
383.15494	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	8.6
57.03450	5.5
58.00599	2.6
59.01380	66.1
59.02774	1.1
61.98824	5.4
62.20339	1.2
65.57510	1.2
69.03437	1.2
71.01382	78.8
72.01716	2.0
72.99302	4.9
73.02560	1.7
73.02950	31.1
75.00851	2.4
80.02251	1.2
80.43830	1.1
81.03427	1.6
83.01395	18.5
85.02951	37.9
87.00859	4.5
89.01935	1.8
89.02444	24.1
93.03454	1.3
95.01391	4.2
96.95988	1.6
97.02934	2.8
99.00882	11.3
101.02444	100.0
102.02795	2.1
103.04018	6.2
109.50406	1.1
113.02459	37.0
119.03525	7.7
120.99576	1.2
123.04518	1.6
125.02422	2.8
129.01869	1.4
131.03500	1.6
131.55865	1.1
137.02441	2.1
143.03490	6.2
155.62097	1.1
159.02991	4.6
161.04550	38.4
161.24315	1.5
169.01268	1.0
177.01924	6.8
179.05600	4.6
195.03003	1.2
197.91519	1.2
220.63109	1.1
221.10301	63.8
222.10606	4.6
235.02470	2.4
237.04166	1.4
249.04076	1.3
251.11406	1.3
279.10974	2.4
320.69116	1.3
339.07132	3.2
355.06674	1.5
383.15524	63.0
384.16037	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41197	0.3
56.29243	0.3
59.01379	2.3
71.01392	0.4
71.23078	0.4
71.23412	0.4
75.00871	0.8
80.16477	0.3
89.36986	0.3
135.04521	0.8
137.02463	0.9
138.03256	0.4
163.03992	2.1
164.04799	100.0
165.05125	4.3
174.79930	0.3
179.07141	88.3
180.07475	5.1
204.06619	0.4
207.86295	0.3
217.00536	0.3
223.13419	0.3
305.37653	0.3
383.13354	1.3
383.20831	0.7
397.88519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42162	0.5
54.28709	0.4
57.03462	1.0
59.01379	19.1
60.01632	0.5
61.98836	0.9
65.24722	0.5
69.27394	0.5
71.01392	3.0
85.02949	1.1
87.00885	1.4
97.02956	0.8
98.19788	1.1
101.02423	0.6
107.03326	0.4
109.02946	0.6
111.00882	0.6
115.00397	3.0
115.03997	0.6
125.02374	0.6
130.08783	0.6
133.01448	1.7
135.04544	0.7
137.02454	1.8
151.07660	1.4
159.03008	1.2
161.05934	0.6
161.13371	0.6
163.04019	2.0
164.04796	100.0
165.05106	4.9
173.06035	0.8
177.04070	0.5
179.07138	99.5
180.07472	6.1
185.06039	0.8
187.04041	0.7
188.04761	1.4
209.06120	0.6
213.05505	0.8
223.11324	1.3
223.13382	15.1
224.13812	1.3
229.42384	0.6
231.04039	0.7
241.12331	0.9
251.10699	0.7
267.09650	1.0
267.12369	12.6
268.12659	0.9
299.02005	0.7
300.02646	0.7
356.18604	1.9
383.13245	1.6
384.18091	13.7
403.42142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31333	0.5
56.97717	0.5
57.03450	29.2
59.01381	6.9
69.03475	0.6
69.17032	3.4
69.17458	2.0
71.01389	2.1
73.02953	1.6
81.03472	0.9
83.01414	0.6
85.02948	2.3
87.00879	9.2
93.03465	2.8
94.03845	0.6
97.02959	2.2
99.04522	1.3
101.02451	0.6
109.02989	3.2
115.04013	2.0
119.28657	0.5
121.02966	29.3
122.03254	1.0
123.04564	1.2
125.02465	0.9
133.02975	0.8
134.03763	0.6
135.04523	2.2
141.01936	1.2
149.02457	1.4
159.03000	2.9
161.02423	0.8
163.04042	0.8
164.04791	1.0
167.03506	2.0
169.52388	0.9
172.43654	0.6
173.04616	1.3
177.01868	0.5
177.04033	0.7
177.05554	0.7
178.02611	0.7
179.03680	2.2
179.07146	100.0
180.07489	5.4
184.04474	0.8
184.54643	0.6
191.05525	0.7
195.02921	1.5
207.02985	0.9
221.04605	1.5
221.06680	5.1
223.06090	1.3
249.04115	0.7
295.08237	1.9
311.07755	4.7
339.07147	1.2
375.67197	0.6
383.13712	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45139	0.5
56.49298	0.5
59.01379	100.0
60.01726	1.2
61.98827	5.6
69.36282	2.3
69.36707	1.5
71.01383	1.0
82.65534	0.5
83.01347	0.7
85.02974	1.0
89.02421	0.6
93.03455	5.0
94.03792	0.5
98.19897	0.9
101.02494	0.5
113.02445	0.7
116.49486	0.4
118.98795	0.5
124.97238	0.5
134.66655	0.5
137.02441	11.6
161.02478	0.8
173.04546	1.3
176.15703	0.5
179.07162	0.7
185.11897	1.3
217.28777	0.5
240.57507	0.5
244.04094	0.5
263.04736	0.9
264.51495	0.5
281.06720	3.7
347.17224	1.7
348.20084	0.5
383.08679	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.3
67.99702	0.4
71.01377	0.8
71.22649	0.9
84.43218	0.4
85.02952	7.8
87.00866	1.6
93.03459	2.6
109.02979	0.8
111.04539	0.9
121.68839	0.4
127.04003	1.8
128.88271	0.4
171.03001	0.7
173.04517	1.2
191.05609	100.0
192.05972	4.2
317.16299	0.4
395.19534	0.4
396.35858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0773
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
58.48793	1.4
59.01381	9.4
61.98822	6.1
63.91676	1.5
67.01926	1.4
69.71089	7.2
69.71461	2.9
70.18536	1.3
79.44113	1.4
108.24150	1.5
108.33047	1.4
117.03457	4.2
119.05010	1.8
121.02962	100.0
122.03287	5.0
123.58027	1.5
145.02936	9.8
147.04550	1.9
149.02376	3.3
163.03937	3.2
180.05650	1.6
181.06586	3.3
191.03470	8.6
225.05515	4.9
251.07127	2.2
295.06085	14.7
297.11188	1.5
311.09351	14.7
312.09610	2.0
313.07202	16.9
314.07770	1.9
339.08737	12.9
383.07690	31.0
383.18573	15.8
384.07953	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.2
61.98823	2.2
63.39307	0.2
65.00322	0.7
71.01392	0.6
80.61639	0.2
82.85937	0.2
83.01392	0.5
87.00859	0.2
89.02443	0.4
89.03965	3.5
91.01882	0.5
96.95970	0.2
97.02979	0.2
101.02452	0.4
105.03446	0.3
109.02957	3.5
123.04520	0.7
127.84041	0.2
133.02959	10.9
134.03314	0.6
134.87720	0.3
135.04532	0.4
139.04066	0.5
149.02393	0.3
161.02406	0.3
161.04568	0.3
176.01074	0.3
177.01929	100.0
178.02274	5.4
219.03008	1.0
221.00902	0.5
235.02597	0.3
261.03906	0.3
339.07376	1.2
355.06531	0.3
383.06116	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	382.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51264	0.4
56.79693	0.3
59.01386	1.3
61.98828	100.0
70.92643	0.9
75.26521	0.3
91.05548	0.6
117.25037	0.4
119.15052	0.3
129.10335	3.6
147.04550	1.3
154.08803	0.4
164.07170	2.8
171.11380	1.8
233.16562	1.8
255.65880	0.3
306.66434	0.3
319.16605	10.1
320.17038	1.5
383.11420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95421	0.4
59.01377	100.0
60.01712	1.6
61.98856	1.2
69.93842	0.9
69.94229	1.4
148.25803	0.4
238.74928	0.5
256.03461	0.5
271.89426	0.4
322.27597	1.5
349.33621	0.5
362.29370	0.5
368.59958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	20.0
60.01726	0.8
61.98828	2.2
65.31307	0.6
68.50549	0.5
70.27963	0.6
71.01384	8.3
71.02362	1.5
72.99298	2.6
73.02957	1.9
75.00877	18.1
75.01308	1.0
83.01417	0.8
85.02972	4.1
87.00031	0.6
87.00880	16.3
88.04073	0.6
89.02450	4.8
93.03465	0.5
95.01379	1.0
98.02481	1.5
99.00894	0.9
101.02437	6.0
113.02441	2.7
115.05538	6.5
116.05051	2.6
117.01937	0.7
119.03512	1.8
119.05027	1.0
128.04984	0.8
130.06618	9.0
132.04550	26.3
133.04865	0.9
135.04529	1.3
144.04539	1.4
146.06148	0.9
154.06241	0.7
157.05347	1.3
158.06113	100.0
159.06467	5.3
161.02428	5.1
163.03993	1.1
173.04454	0.8
174.05528	2.9
176.07111	1.2
177.01915	1.5
178.02228	0.7
191.05621	2.6
202.05096	42.7
203.05402	2.3
209.04636	0.9
220.06139	8.0
221.11748	1.2
237.06125	6.7
249.06136	9.6
250.06590	0.6
262.07190	2.0
296.11572	1.0
323.84402	0.7
382.11417	69.5
383.11722	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	381.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.7
56.24025	0.6
59.01369	1.8
59.13851	0.7
61.98835	1.5
70.20189	1.0
70.20585	1.3
71.19187	0.6
78.95898	2.0
86.33973	0.8
91.78669	0.6
101.86867	0.7
103.61224	0.6
126.04299	0.7
138.06851	0.7
151.11259	0.9
152.99583	4.8
153.12900	3.7
153.13916	0.6
163.11287	2.2
165.09210	0.6
165.12836	4.9
170.05815	3.7
179.10767	10.5
181.12334	36.8
182.12650	2.4
192.11540	0.7
195.10242	2.9
197.11839	2.7
199.13382	100.0
200.13739	7.0
215.12796	1.3
266.59647	0.8
363.25500	5.9
364.25797	1.2
381.26575	5.7
382.26932	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.7
57.03448	3.0
58.00583	1.0
59.01383	30.9
60.01715	0.5
69.03472	1.0
69.63825	2.1
69.64230	1.1
70.91529	0.5
71.01389	44.7
72.01740	0.7
72.99324	1.6
73.02950	29.7
74.67730	0.6
75.00887	1.0
76.88656	0.6
83.01392	10.9
85.02959	24.5
85.06625	0.8
86.00101	1.6
87.00891	2.9
87.08163	0.8
89.02458	9.6
95.01408	2.6
97.02962	3.3
99.00890	10.6
101.02451	58.1
102.02772	1.2
108.16801	0.5
108.31853	0.5
111.00905	1.9
113.02460	20.8
115.03996	2.0
120.24122	0.5
122.23608	0.6
124.44969	0.5
125.02445	2.6
129.01956	1.3
131.03532	2.7
143.03543	2.6
149.04613	1.1
159.03011	4.5
161.04564	17.6
191.05566	1.0
233.06647	2.4
249.13446	89.7
250.13799	6.0
271.07169	0.6
293.08807	1.1
381.17673	100.0
382.17993	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.192
Annotation	Viguilenin
Peak:m/z	Relative Intensity
55.01619	0.3
56.15191	0.3
57.34444	0.4
58.00604	0.5
59.01384	7.5
68.64436	0.3
69.03452	1.2
70.91707	0.4
70.92049	0.6
71.01389	1.5
72.99338	0.4
73.02954	1.5
75.45000	0.3
78.43840	0.3
83.01385	0.5
83.05031	0.6
85.02962	0.8
101.02460	0.9
113.02448	0.6
125.10783	0.3
131.03537	0.6
135.08130	0.6
137.09689	2.1
144.81013	0.3
160.07671	1.4
191.14412	0.7
197.83627	0.4
217.15933	0.6
233.19014	0.6
245.19069	2.2
255.17545	0.5
257.15494	0.9
257.19138	0.7
261.04028	0.4
263.20114	1.0
273.18661	1.4
275.16916	0.4
275.20007	0.6
291.19800	0.4
295.89777	0.4
319.19202	0.4
335.18631	0.7
337.20224	34.4
338.20514	4.0
369.09970	0.7
373.27197	0.4
381.19193	100.0
382.19525	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	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81914	0.5
51.99791	0.5
59.01396	1.2
61.98844	1.9
78.93693	0.5
78.95914	2.5
93.51874	0.5
98.66052	0.5
137.06053	0.9
138.06850	0.9
143.35878	0.6
148.33385	0.6
150.12820	0.6
151.07671	1.6
152.99593	5.7
153.79541	0.5
157.95906	0.6
170.05872	3.6
181.12303	1.3
192.11522	0.9
199.13480	0.9
233.19112	1.2
234.19525	0.6
235.20738	1.4
235.41486	0.6
251.20210	3.4
272.60638	0.5
277.18076	77.2
278.18378	8.2
279.19650	22.1
280.19946	2.1
295.19128	100.0
296.19470	10.0
296.22800	0.7
297.15286	0.9
345.24551	1.0
363.25400	17.2
364.25699	2.1
372.24896	0.6
381.26489	8.0
382.26901	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.1
61.98835	1.5
62.85352	0.9
71.01353	4.6
71.55284	1.4
73.02944	4.0
81.07096	2.1
83.05029	2.7
87.00861	2.1
89.02435	20.7
99.04527	1.2
103.04037	1.7
131.03476	7.0
149.04550	100.0
150.04936	3.3
150.72975	0.8
158.21706	0.9
161.13351	66.4
162.13646	4.4
205.12328	42.2
206.12697	3.7
249.11293	10.9
374.54123	0.9
381.15430	4.5
400.01620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	1.8
66.52932	0.4
70.20724	1.8
79.95741	1.8
96.96014	15.8
99.92585	62.9
100.92594	2.9
100.93379	2.5
115.92080	31.0
116.92860	100.0
117.75204	0.4
117.92880	6.2
117.93661	0.8
121.70581	0.4
122.97529	0.7
127.95661	0.4
142.76018	0.4
251.23730	0.7
297.15387	0.6
337.18338	1.2
351.16534	0.9
369.17349	1.0
377.14163	0.7
381.17407	78.6
381.23117	20.0
382.17606	13.0
382.23489	2.1
385.47977	0.5
395.15280	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.7
57.03448	3.0
58.00583	1.0
59.01383	30.9
60.01715	0.5
69.03472	1.0
69.63825	2.1
69.64230	1.1
70.91529	0.5
71.01389	44.7
72.01740	0.7
72.99324	1.6
73.02950	29.7
74.67730	0.6
75.00887	1.0
76.88656	0.6
83.01392	10.9
85.02959	24.5
85.06625	0.8
86.00101	1.6
87.00891	2.9
87.08163	0.8
89.02458	9.6
95.01408	2.6
97.02962	3.3
99.00890	10.6
101.02451	58.1
102.02772	1.2
108.16801	0.5
108.31853	0.5
111.00905	1.9
113.02460	20.8
115.03996	2.0
120.24122	0.5
122.23608	0.6
124.44969	0.5
125.02445	2.6
129.01956	1.3
131.03532	2.7
143.03543	2.6
149.04613	1.1
159.03011	4.5
161.04564	17.6
191.05566	1.0
233.06647	2.4
249.13446	89.7
250.13799	6.0
271.07169	0.6
293.08807	1.1
381.17673	100.0
382.17993	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15776	1.6
55.01874	1.8
57.03444	3.3
58.00588	2.6
59.01379	100.0
61.98834	9.7
69.71329	9.7
71.01382	34.7
71.69294	1.4
72.99317	2.1
73.02947	11.0
75.00872	4.9
78.47839	1.7
80.91675	6.6
83.01385	5.0
83.05026	5.6
85.02949	15.6
87.00880	3.8
87.04510	5.4
89.02438	19.0
89.03985	1.4
93.03455	12.0
95.01356	2.0
98.19949	1.4
99.00875	1.8
100.50850	1.4
101.01889	2.2
101.02451	25.4
101.06084	3.4
103.03993	5.2
105.03401	2.3
107.45587	1.5
113.02450	13.6
115.04015	2.6
119.03482	8.6
121.77144	1.5
131.03667	1.3
132.04529	3.5
133.02895	2.4
134.03697	3.1
135.04544	12.9
137.02449	23.6
137.06061	3.2
143.03503	3.6
145.02895	4.6
145.05057	5.1
158.06120	10.8
159.02919	2.1
159.10245	3.7
160.04045	2.3
161.02440	2.9
161.04555	14.0
163.04005	27.5
173.04572	1.7
177.00507	1.7
177.01910	30.7
179.05640	4.6
179.16451	1.5
181.05034	3.1
189.01852	5.1
191.05630	21.3
201.11276	2.9
202.05078	6.4
207.02988	16.7
299.07748	2.6
321.15521	42.2
322.15765	4.7
333.37534	1.7
381.08954	13.2
381.13687	9.4
381.18027	20.6
382.11301	8.0
382.18015	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	381.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96720	1.3
61.98824	2.9
69.34173	1.5
69.34584	3.4
73.73302	0.5
74.99076	24.4
75.96220	2.5
75.99011	0.9
82.04705	0.5
87.28994	0.6
91.02213	42.5
92.02147	0.7
93.00136	12.0
115.43560	0.6
143.05327	1.5
152.98355	0.6
152.99641	1.6
159.08470	100.0
160.08705	4.2
161.06392	9.9
181.26971	0.6
344.16354	0.7
365.10938	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	381.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25909	0.5
54.41792	0.5
56.82537	0.5
59.01375	1.8
69.03462	3.8
71.01386	0.6
71.02905	0.8
71.03246	0.8
73.02973	0.8
75.31796	0.5
87.70839	0.5
95.05015	0.9
95.36543	0.5
97.02951	38.5
98.03296	1.5
106.04241	4.7
108.02174	0.7
115.76180	0.5
121.06596	1.3
131.03450	0.6
134.03821	0.5
149.04712	0.5
149.09697	0.7
151.07657	100.0
152.07991	4.3
160.08873	0.6
192.07971	0.7
205.12335	35.9
206.12688	3.2
249.11307	33.7
250.11588	2.7
381.15732	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
61.98830	100.0
69.85940	2.6
72.37412	0.5
80.41763	0.5
83.01357	0.5
88.38984	0.6
91.63147	0.5
98.19979	0.7
105.54828	0.5
113.06068	0.8
116.92904	0.7
121.03011	1.0
121.06610	1.5
151.02730	3.0
183.01808	2.4
191.05905	1.3
204.06683	0.9
228.06689	0.6
250.72234	0.5
259.37793	0.5
275.45496	0.6
286.11017	1.6
318.13452	16.4
319.13907	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	381.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64781	3.9
59.01384	48.5
61.98834	11.4
71.01392	5.3
71.54567	5.6
73.02973	4.5
88.97382	3.6
89.02461	6.0
102.62922	4.1
110.39734	3.8
133.03004	9.0
136.07640	5.7
143.07079	4.7
155.75940	4.5
176.01186	7.5
177.01938	100.0
178.08713	6.4
183.10248	32.4
197.02220	4.7
205.06920	3.8
206.85446	4.4
226.10323	4.2
236.30852	4.1
250.10855	6.2
261.04111	5.3
381.08069	13.9
381.13257	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	380.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71122	0.7
59.01381	100.0
59.73807	0.8
61.98828	2.4
65.11261	0.8
71.45745	1.2
78.95911	1.7
143.25995	0.8
152.99541	3.0
320.25821	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.0
61.98831	9.8
68.64745	1.0
69.81430	5.3
71.01385	3.5
71.57869	1.0
72.00913	2.4
74.74216	0.9
82.02997	1.2
84.11462	1.2
89.02443	4.6
92.05071	3.0
92.53758	1.0
93.03450	1.0
96.96011	9.3
98.95596	9.1
101.02448	2.3
107.70181	1.1
114.05635	5.4
116.05067	3.0
119.03443	1.2
128.05051	1.8
130.45551	1.0
131.03761	4.2
132.04544	7.3
134.04700	1.2
135.04471	1.2
137.02409	1.2
140.96729	1.2
144.04521	7.6
156.06950	6.8
157.07687	5.7
158.04913	1.7
158.06111	3.3
159.05634	1.3
160.04051	8.2
161.04517	2.7
167.06129	11.6
168.06601	1.0
169.07712	3.7
170.06078	2.3
171.09300	9.9
172.04082	1.1
172.07617	1.0
173.03772	1.1
173.07188	7.6
180.06909	1.5
181.07706	55.1
182.06178	2.0
182.08022	4.7
187.08778	3.8
188.05861	2.4
191.05579	1.7
197.07222	4.4
199.08742	35.0
200.09084	2.2
201.06696	4.7
213.06804	1.4
217.09784	2.8
226.05038	4.9
242.99966	4.4
243.07709	24.1
244.08092	2.3
261.08777	100.0
262.09131	10.5
264.93976	0.9
273.08813	2.7
305.68604	1.1
310.91003	1.0
319.13245	1.0
321.11768	1.2
343.11444	3.9
363.12000	3.2
381.03647	8.4
381.08694	3.8
381.13007	23.1
382.13086	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	380.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81069	1.1
55.30964	0.9
59.01366	1.7
61.98831	100.0
62.67731	0.8
64.20666	1.0
70.09052	4.2
71.00499	0.9
72.70969	1.1
78.95888	1.9
84.80478	1.1
116.91377	1.0
152.99568	4.9
284.75601	1.1
358.32294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
61.98830	100.0
69.84205	2.6
78.95910	1.3
152.99577	2.9
254.83366	0.6
284.42117	0.6
327.37048	0.6
380.20374	8.2
381.20663	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	380.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44615	0.5
59.01381	100.0
60.01723	1.3
62.81637	0.5
71.08661	1.3
81.40820	0.5
131.32468	0.5
158.59183	0.6
212.86929	0.6
251.93245	0.5
255.25278	0.5
278.17770	0.9
308.76828	0.6
343.35968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2857
Annotation	Persin
Peak:m/z	Relative Intensity
50.66649	1.3
51.04572	1.5
59.01383	1.8
61.98837	10.7
67.53997	1.6
71.24115	2.5
71.24477	1.7
77.96275	1.5
79.16354	1.4
86.44144	1.6
99.92590	7.1
115.92066	3.0
116.92873	9.2
125.27766	1.5
148.36589	1.5
198.10214	1.7
279.23273	4.9
281.24194	2.0
294.09070	2.1
295.08725	5.8
347.26001	10.8
363.15277	7.7
379.15839	4.8
379.28534	100.0
380.28918	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	380.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67144	3.6
54.35960	3.4
56.43737	3.7
59.01382	40.8
60.01696	5.7
61.98827	8.4
70.53922	12.7
71.01378	31.4
71.05014	4.3
72.01720	5.6
73.02929	5.4
78.95870	5.8
85.02943	8.1
89.02443	40.5
90.02756	7.9
96.96960	7.5
97.21130	3.7
101.02434	14.9
111.17233	3.7
112.04005	4.5
113.02422	12.0
114.02784	6.2
119.03525	10.7
122.14446	4.2
138.05621	9.9
146.08241	16.4
158.04616	5.7
160.06096	6.4
161.04526	6.1
169.17517	4.4
172.07220	12.0
179.05550	8.3
180.05905	8.9
183.85397	4.3
217.02946	9.9
218.03282	5.5
218.10252	5.1
310.06473	3.9
342.11224	100.0
342.58319	4.5
343.11566	14.9
344.11685	9.2
373.77463	4.4
380.08630	79.4
380.15692	55.8
381.08762	6.9
381.17017	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	380.1562
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
50.14353	0.5
57.03451	0.6
59.01382	18.4
61.98835	1.5
69.31506	1.6
69.31931	3.0
71.01385	34.6
71.05016	5.7
72.01733	0.8
72.99300	1.1
73.02950	1.2
73.89842	0.5
83.01385	1.5
85.02950	3.4
87.00872	0.8
88.04047	5.5
89.02448	9.7
90.12141	0.5
95.01392	1.5
96.96033	0.6
97.02975	0.5
98.19918	0.8
99.04521	1.7
101.02448	8.7
107.95782	0.5
111.46632	0.5
113.02470	4.9
116.03508	0.9
116.07178	1.2
119.03521	3.4
123.28996	0.5
128.07185	2.1
129.05602	0.8
138.05618	1.2
143.03511	0.6
146.08235	57.2
147.08586	2.4
161.04514	1.5
174.11423	0.7
196.85312	0.5
200.09328	1.2
218.10260	0.9
219.54448	0.5
263.11383	1.1
300.10834	0.8
308.13470	5.4
335.84662	0.5
336.05786	0.6
362.14496	1.4
380.15622	100.0
381.16336	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	379.161
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01870	2.5
57.03448	2.1
58.00581	3.5
59.01379	100.0
61.98843	1.7
71.01382	60.2
72.99306	4.3
73.02947	28.4
75.00885	3.2
83.01375	3.1
85.02950	13.0
87.00880	2.0
89.02442	96.5
90.02762	1.4
95.01375	3.3
96.96004	6.4
97.06589	3.6
98.20704	1.8
99.00887	19.5
99.08167	2.2
101.02440	41.7
109.02975	1.2
113.02448	18.9
115.04019	2.0
119.03510	18.7
122.03772	1.2
125.02453	4.6
125.06077	3.6
125.28489	1.2
131.03506	12.1
139.07600	1.2
143.03485	5.8
143.07140	32.2
149.04550	40.7
154.01465	2.6
155.09584	2.2
155.10780	33.7
156.11089	2.6
157.08667	10.2
161.04578	7.0
179.05591	10.2
181.08694	12.9
191.05574	10.6
198.94904	1.2
199.09790	5.3
217.10791	46.1
218.11108	3.0
221.06516	1.8
243.65594	1.3
247.11841	4.6
251.07666	2.9
259.11896	1.9
293.08691	1.8
343.13977	2.4
379.07660	2.1
379.16077	53.8
380.16449	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	379.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01725	1.2
61.98823	0.8
69.42719	1.7
69.43152	1.9
71.01375	4.9
73.02949	2.6
83.01408	1.3
85.02980	1.3
87.00870	0.5
88.98804	1.0
89.02435	3.1
101.02444	4.8
109.02989	0.8
113.02424	2.6
119.03484	0.9
119.05031	0.8
129.59572	0.5
131.03569	0.8
135.04506	1.6
137.06114	1.1
143.03511	0.6
149.04521	0.6
155.03395	0.5
161.04555	1.9
163.04057	0.7
173.04575	1.3
179.03520	0.7
181.05051	3.3
191.05638	1.7
233.06679	0.5
282.61841	0.5
319.14020	1.3
320.17245	2.1
343.10294	1.7
379.07114	0.6
379.15750	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	379.1582
Annotation	DMH-1
Peak:m/z	Relative Intensity
61.98840	2.5
64.24776	0.4
71.34822	0.8
84.93893	0.7
89.32732	0.5
99.92587	73.2
100.92603	3.7
100.93374	2.5
115.92082	35.2
116.92861	100.0
117.92892	5.5
117.93666	0.8
127.09264	0.5
132.92348	0.6
279.23303	1.4
335.16986	1.2
347.25940	1.0
361.14749	0.9
367.15927	0.7
375.12674	2.0
376.13266	0.7
379.15811	69.4
379.28519	14.4
380.16064	13.9
380.28818	1.6
389.09805	0.7
393.13730	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	378.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98829	100.0
62.24395	0.2
70.91566	0.3
93.03470	0.3
95.05031	0.2
96.96049	0.3
136.27184	0.3
140.97530	0.3
147.97453	0.3
151.24020	0.3
179.96671	0.3
180.01500	0.5
252.03709	0.6
293.21347	0.6
341.09467	1.5
342.10995	0.4
378.18924	5.3
379.19205	0.6
383.50403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26888	0.3
59.01381	13.0
65.01353	0.3
71.01376	2.5
71.23058	0.3
73.02941	0.9
79.95737	2.6
80.96496	1.5
83.01411	0.5
85.02950	1.0
87.00895	0.6
89.02460	1.8
91.81709	0.3
96.96014	100.0
97.41869	0.3
97.95956	0.5
101.02445	2.4
113.02452	1.2
119.03471	0.6
122.33270	0.3
122.97566	0.5
137.06056	0.6
138.97081	0.9
140.14993	0.3
150.97086	1.3
152.98663	1.0
161.04572	0.5
163.31731	0.3
176.07066	0.3
180.98146	3.0
181.04979	0.5
187.07579	0.3
199.09650	0.3
201.11377	0.3
217.10724	0.5
241.00238	4.9
319.13910	0.4
339.58087	0.3
343.10339	0.6
379.07028	95.3
380.07324	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	378.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19919	0.5
54.40829	0.5
55.60093	0.5
59.01379	1.8
61.98829	100.0
71.44645	0.9
84.02195	0.8
142.37169	0.6
171.10295	2.2
172.10677	0.6
174.03250	1.0
197.12752	0.5
230.39299	0.6
309.73419	0.5
315.15952	6.7
316.16666	0.8
341.23074	3.8
342.23669	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	378.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
61.37346	0.3
61.98832	100.0
72.51934	0.4
96.10027	0.3
132.65820	0.4
133.02994	0.5
135.04529	1.0
161.02499	1.3
179.03539	0.9
240.43372	0.4
315.15997	8.9
316.16489	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84031	1.2
52.37643	1.2
56.28627	1.3
59.01381	26.0
61.98832	3.8
67.60363	1.2
69.73623	2.1
69.74023	4.1
72.03490	1.3
96.96017	1.3
98.20045	2.0
100.54021	1.3
106.25630	1.1
151.11212	1.7
169.89462	1.4
171.10280	35.3
172.10649	2.3
175.35320	1.3
249.22382	1.3
277.21713	46.9
278.22037	3.6
295.22772	100.0
296.23148	11.7
305.83755	1.3
317.20944	39.2
318.21243	3.7
341.10934	1.4
361.19943	7.1
377.08823	2.4
377.22946	35.1
378.22958	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	378.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	30.3
61.98829	100.0
71.01083	1.2
71.01398	7.9
73.02950	1.0
85.02941	2.4
87.00894	1.1
89.02449	8.2
96.96024	5.0
96.97002	1.3
101.02440	5.4
107.05099	0.7
108.02145	1.4
109.02960	18.0
113.02438	4.7
114.05612	3.2
114.41402	0.8
119.03488	3.4
123.00857	1.0
126.05591	1.4
129.05547	0.9
132.64163	0.8
135.00923	1.2
135.04449	1.2
137.02396	1.1
152.01126	2.0
153.01936	52.7
154.02272	3.5
156.06648	3.3
165.01912	1.5
167.03389	0.9
178.73515	1.0
179.34663	0.9
195.02988	13.7
196.03323	0.9
255.05078	4.3
277.07108	1.1
283.70795	0.9
301.36694	0.9
315.07208	76.0
316.07495	6.7
341.10803	1.3
378.11835	4.9
379.02908	1.0
379.07129	3.4
379.11710	1.9
379.16269	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	378.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.8
61.98833	100.0
70.53403	1.2
71.01403	1.8
73.02950	0.7
75.00880	4.3
76.01228	0.8
85.02949	0.8
87.73509	0.5
89.02459	1.4
96.96026	1.5
99.04585	0.7
101.02477	1.3
112.79582	0.5
113.02499	0.6
114.31780	0.6
119.95564	0.5
141.28012	0.5
161.04616	1.0
179.03583	0.8
181.29771	0.5
182.96587	0.6
194.71286	0.6
217.10852	0.9
248.45714	0.5
379.07217	1.7
379.16086	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	377.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.3
61.98830	8.1
62.07195	1.3
66.47063	1.4
69.87370	8.4
71.01384	1.8
73.72814	1.3
84.02168	6.7
97.02971	2.3
97.06531	1.8
99.04540	2.6
131.22311	1.4
171.10274	26.2
225.14981	1.6
276.04636	1.7
315.18671	1.6
332.32617	1.4
341.10834	3.1
341.23288	100.0
342.23691	12.6
361.72586	1.7
377.08804	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	377.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25121	1.0
59.01379	30.8
61.98818	3.3
64.46115	1.1
69.17162	1.0
69.75959	5.1
71.01321	1.2
74.92342	1.0
103.44450	1.0
113.42046	1.1
129.70398	1.0
151.00349	8.9
164.04713	3.2
166.02710	33.8
167.03029	2.4
179.07053	1.9
181.05063	100.0
182.05371	5.1
183.81691	1.1
186.81419	1.1
201.06151	1.4
240.06398	14.5
241.06686	1.4
323.52026	1.2
377.19614	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	377.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.0
61.98816	2.8
68.08906	3.0
69.42375	20.1
72.78879	2.9
84.02161	8.1
109.53867	3.2
171.10265	21.3
193.12267	3.1
225.15024	6.9
235.56656	2.7
243.16089	3.6
263.75043	3.2
341.23267	100.0
342.23706	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	377.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03452	0.9
58.00586	1.1
59.01382	100.0
60.01716	1.3
61.98823	0.6
69.03468	1.8
69.54613	2.0
69.55022	0.9
71.01386	35.0
71.98109	0.3
72.99326	1.1
73.02950	48.6
74.03308	0.8
75.00879	1.1
75.06369	0.4
81.03458	0.5
83.01391	15.1
85.02953	6.2
85.53607	0.4
87.00906	0.7
89.02438	5.8
95.01393	1.1
97.02973	1.0
99.00889	1.3
99.04567	0.6
101.02450	39.9
102.02812	0.8
113.02452	10.7
114.02728	0.5
119.03493	2.2
125.02467	1.7
131.03519	2.8
134.28178	0.4
143.03503	3.5
149.04555	3.5
151.72667	0.4
155.03542	1.1
155.10785	24.4
156.11189	1.4
161.04550	8.2
161.05899	0.5
173.04649	0.4
173.11946	0.5
173.92365	0.4
203.05664	0.7
215.03510	0.9
221.06664	0.9
299.64896	0.4
317.19653	0.5
335.20889	0.6
341.11243	0.5
343.25797	0.5
365.46606	0.4
377.08508	0.5
377.18158	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	377.1455
Annotation	Lamiol
Peak:m/z	Relative Intensity
55.01878	1.7
57.03446	8.9
59.01381	41.2
60.01680	1.6
61.98820	6.6
68.44941	1.5
71.01382	17.7
73.02947	53.2
83.01386	1.9
83.05047	3.2
85.02950	23.0
85.06585	5.8
86.03281	2.7
87.00869	6.5
89.02441	14.7
95.05027	2.0
97.02952	1.4
97.06590	7.3
99.00909	1.5
101.02432	8.0
101.06044	1.5
111.00882	35.0
111.04532	17.4
113.02460	7.3
119.03489	4.7
121.06577	1.8
123.04492	2.4
129.01956	2.6
129.05611	6.7
131.03491	6.6
135.08162	3.1
147.02962	2.3
150.33878	1.5
153.09213	50.7
154.09509	1.5
155.07076	2.8
160.34991	1.5
161.04559	1.7
163.92461	1.4
171.10278	22.5
172.10631	2.2
173.00923	4.8
179.05630	2.4
179.07085	4.3
182.00620	1.5
191.01927	1.9
193.02257	1.6
195.10251	2.2
197.08191	37.5
198.08400	2.7
215.09238	100.0
216.09506	5.6
239.09282	1.8
257.06818	2.8
257.10297	3.7
316.59186	1.4
317.19781	2.1
335.20694	4.2
345.09335	1.8
377.10236	3.4
377.14557	14.7
377.21970	5.4
378.14868	1.8
382.92361	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	377.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49335	0.4
55.01878	2.1
57.03448	5.8
58.00591	0.9
59.01382	19.9
60.67727	0.3
61.98834	0.5
68.99798	0.4
69.03438	0.6
71.01385	13.8
71.22892	0.8
72.99315	2.1
73.02950	5.8
75.00871	1.2
83.01380	3.4
83.68721	0.3
84.02158	0.9
85.02952	39.2
86.00131	0.5
86.02458	0.4
86.03285	1.0
87.00880	1.1
87.04493	0.6
89.02450	5.2
95.01388	0.9
97.02942	0.4
99.00891	1.2
101.02450	11.5
110.02473	2.0
111.00874	2.1
111.08151	0.4
113.02450	4.5
113.31368	0.4
119.03491	1.7
124.21180	0.4
125.09713	0.5
129.01941	3.9
129.05614	0.4
129.61472	0.4
131.03667	0.3
132.06294	0.4
137.74316	0.3
147.02986	4.0
151.11247	0.5
155.10805	1.7
161.04602	0.8
169.12343	1.0
173.00871	0.7
184.00565	0.3
185.11830	1.1
189.76881	0.4
191.01981	13.1
192.02295	0.5
197.11833	3.8
198.11346	2.4
199.09724	0.7
215.12875	8.3
216.13374	0.4
297.08871	0.9
317.19611	1.0
335.20691	2.0
359.17148	1.0
377.18161	100.0
378.18460	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	377.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25986	0.8
55.01873	3.7
57.03450	11.2
58.00585	1.6
59.01379	22.2
60.01702	0.8
60.05242	0.7
68.99848	0.8
70.96127	0.7
71.01384	15.6
71.25094	2.0
71.53082	0.7
72.99304	2.9
73.02953	5.1
75.00865	3.0
83.01379	4.6
84.02184	2.0
85.02951	100.0
86.03291	2.4
87.00886	2.1
89.02438	7.2
99.00883	1.3
101.02438	10.3
103.00378	1.7
105.31732	0.8
111.00867	4.1
113.02454	4.5
115.00346	0.9
119.03503	2.5
125.09743	0.8
129.01923	10.2
147.02992	14.8
154.12422	1.8
155.10725	1.9
161.04494	1.2
161.65068	0.9
173.00955	2.9
176.30554	0.9
179.03453	0.8
185.11823	4.8
186.12279	1.1
191.01978	35.8
192.02402	1.3
197.11835	3.4
198.11319	6.6
209.02988	1.0
211.09889	1.0
215.12767	4.3
317.19684	1.6
335.20697	3.9
359.13446	1.6
377.14362	6.0
377.18213	80.4
378.18488	10.4
389.58264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
57.03449	14.0
59.01112	1.1
59.01385	17.9
60.31882	0.7
61.98835	1.4
65.48534	0.7
69.40882	4.0
69.41291	1.4
71.01390	9.4
72.99302	1.9
73.02940	5.3
75.00877	2.2
78.11708	0.7
83.01392	2.9
84.02196	1.4
85.02954	100.0
86.03294	2.6
87.00871	1.7
87.04476	0.7
89.02451	3.4
101.02483	4.6
103.00365	1.8
111.00883	3.1
113.02483	1.6
119.03530	0.9
123.08298	0.8
129.01945	13.3
147.03009	13.6
155.10765	1.4
161.04597	0.9
173.00897	2.3
185.11777	3.8
191.00241	1.7
191.01984	35.4
192.02295	0.9
197.11862	2.2
199.09767	1.1
209.03004	0.8
215.12869	7.4
246.20303	0.7
253.14569	0.9
276.03787	0.9
315.14334	0.8
317.19788	1.3
331.01028	0.8
335.20728	4.5
359.17261	1.1
362.68387	0.8
377.14352	8.0
377.18280	38.9
377.21555	2.8
378.14465	1.7
378.18674	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	377.1423
Annotation	Go 6976
Peak:m/z	Relative Intensity
59.01375	1.2
61.98827	8.0
70.76900	0.5
71.54316	0.8
74.60405	0.5
88.73017	0.6
93.72499	0.5
96.96016	1.4
99.92587	85.3
100.92599	4.9
100.93382	2.1
106.75355	0.5
115.92081	42.4
116.92212	3.6
116.92860	100.0
117.92866	5.7
120.06420	0.5
149.18486	0.5
229.01663	0.7
247.46199	0.6
277.21689	3.9
278.58542	0.5
279.22382	0.8
293.17871	1.7
299.05902	0.7
308.07184	2.2
315.14288	0.9
333.15363	0.9
341.10873	0.6
359.13214	1.6
373.11014	2.6
374.11664	0.7
377.14246	54.1
378.14444	12.0
391.12082	4.8
392.12167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	41.4
69.80570	54.6
71.01377	17.5
73.53689	11.1
89.02470	36.9
92.74908	11.9
100.84106	10.3
101.02431	14.8
106.58840	9.7
111.59960	10.0
114.63457	11.6
117.68598	10.1
120.81193	10.8
141.31067	10.8
179.05521	17.1
215.03218	21.8
274.39108	11.3
307.76654	13.6
341.10849	100.0
377.08469	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22270	0.4
52.50331	0.4
59.01385	0.7
59.64775	0.4
61.98833	100.0
63.67138	0.4
79.81831	0.4
85.13157	0.4
116.57732	0.4
134.03786	1.3
135.04549	2.7
137.02484	1.1
178.02788	0.6
179.01872	0.4
179.03496	2.6
287.55673	0.4
313.14478	6.4
314.14893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.3
61.98826	7.7
62.78945	1.0
66.42459	1.1
69.58348	5.7
71.01384	4.8
72.99302	1.3
73.02935	1.6
74.05119	1.1
75.00881	1.7
78.44138	1.2
85.02930	1.5
87.00865	2.0
89.02451	5.7
93.41936	1.0
96.96014	2.5
101.02440	4.5
101.18066	1.1
113.02428	1.8
116.14188	1.4
119.03502	2.5
135.04523	68.4
136.04857	2.7
149.04677	1.1
150.92004	1.2
179.03487	100.0
179.05525	2.9
179.05806	2.9
180.03772	4.9
190.98508	1.1
191.05626	1.3
215.03270	3.6
341.08545	9.4
341.10974	10.0
377.08661	14.8
377.13846	2.4
378.09042	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	376.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
61.98831	100.0
62.54952	0.7
71.24636	1.4
72.60782	0.7
77.04607	0.7
80.24768	0.6
161.53331	0.7
165.42378	0.6
205.29665	0.7
216.51033	0.8
293.73120	0.6
313.14514	5.4
314.14798	0.7
350.00729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44860	0.7
52.17145	0.7
59.01380	100.0
59.81696	0.7
60.01705	1.5
61.98822	5.1
69.64988	1.7
69.65395	2.4
79.95737	1.2
89.95201	0.7
95.43556	0.6
121.79404	0.6
164.38857	0.8
177.09378	0.7
215.16638	0.9
269.76819	0.7
273.63474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99822	7.8
51.09667	7.7
59.81440	7.5
61.98828	25.5
67.98335	8.4
71.53548	9.8
146.96620	28.8
163.11273	100.0
165.20398	9.7
211.54863	8.5
214.88937	10.1
240.08365	9.0
339.23251	67.4
377.79645	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	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01379	100.0
60.01713	1.6
61.98839	0.4
67.01884	0.4
69.03474	0.4
69.93918	1.9
70.16943	0.4
71.01382	5.4
71.52270	0.4
72.99316	0.6
73.02949	2.4
80.77390	0.3
83.01405	1.6
85.02946	7.7
87.00873	0.4
89.02435	0.8
91.01892	0.4
98.19865	0.4
99.00868	0.5
101.02446	3.7
111.00880	13.1
113.02458	1.3
129.01944	1.4
139.11316	0.6
143.87384	0.4
154.99901	2.1
155.10779	1.1
159.81847	0.4
161.04604	1.4
167.10738	0.5
169.12328	0.4
173.00911	6.3
185.11821	4.9
191.02014	0.6
315.04990	0.5
315.18085	0.7
333.19174	4.6
334.19388	0.9
353.73773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76220	0.4
55.01880	1.0
57.03455	1.0
59.01383	100.0
60.01718	1.4
61.92247	0.5
61.98844	1.2
71.01386	13.2
73.02957	4.4
75.00838	0.6
83.01408	1.8
85.02956	9.3
87.00877	0.6
89.02457	5.8
93.03426	0.4
95.01399	0.8
97.02998	0.5
98.20605	1.0
99.00907	1.2
100.64819	0.4
101.02446	7.9
111.00897	0.9
113.02447	5.1
119.03508	2.1
129.01949	0.6
139.11310	2.2
143.03523	0.5
153.47624	0.5
155.10800	0.5
159.03088	0.5
161.04543	4.3
170.03638	0.5
171.13963	0.9
179.05721	0.5
191.02071	1.0
201.11383	2.0
315.18130	1.0
332.06342	0.5
333.19189	13.4
334.19443	1.3
375.20261	0.6
375.24316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
56.40160	0.5
57.03446	2.1
59.01381	100.0
60.01705	1.2
61.98817	0.5
62.43650	0.4
69.03444	0.5
71.01382	7.3
72.99316	0.6
73.02939	2.7
75.00865	0.9
83.01400	1.8
85.02952	18.0
87.00869	1.1
89.02454	2.1
93.03484	1.7
95.01423	0.7
95.95312	0.5
99.00913	1.0
99.04568	0.5
101.02441	5.4
103.23071	0.5
111.00887	6.3
111.79982	0.4
113.02439	2.5
113.52264	0.5
117.42355	0.4
119.03483	1.0
129.01935	2.4
139.11304	1.4
147.03033	1.5
161.04535	2.6
171.13983	0.8
173.00903	3.3
173.04578	0.8
183.10234	0.8
185.11877	2.1
191.02019	3.6
201.11450	0.5
210.75002	0.5
229.53006	0.6
243.12343	2.6
315.17999	0.6
331.14355	0.6
333.19138	6.0
333.22919	0.6
364.92432	0.6
375.12650	0.5
375.16461	2.9
375.20483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03444	0.9
58.00592	1.8
59.01378	44.3
68.23082	0.3
69.58007	0.9
69.58420	0.9
71.01380	23.4
72.01716	0.4
72.99315	1.8
73.02948	1.4
83.01354	1.6
85.02946	6.5
87.00884	0.8
89.02443	21.1
90.02763	0.4
92.34327	0.4
95.01400	1.4
99.00904	1.0
101.02438	14.5
103.42281	0.3
110.51957	0.3
113.02451	8.3
119.03503	5.7
127.37577	0.3
131.03465	0.4
132.87091	0.3
169.39149	0.3
183.13896	0.9
195.12093	0.6
195.13882	9.8
196.14253	0.9
213.14941	4.5
236.78508	0.3
333.40985	0.4
355.84021	0.4
357.18985	0.8
375.20206	100.0
376.20581	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03449	1.2
58.00596	0.7
59.01384	16.3
61.98824	0.9
65.00338	0.6
65.26058	0.4
68.49844	0.4
68.66056	0.4
71.01007	0.7
71.01384	10.2
71.54944	0.7
72.99313	0.9
73.02947	3.9
83.01382	2.0
85.02950	5.3
87.00882	1.7
89.02441	5.0
94.53342	0.5
95.00157	0.4
95.01387	0.8
99.00876	1.0
101.02441	9.4
113.02438	4.1
119.03483	2.3
141.41872	0.4
155.94760	0.5
156.29855	0.4
161.04543	0.5
168.86902	0.4
190.38800	0.4
191.05539	0.8
195.13889	4.4
211.82739	0.5
213.14954	31.6
214.15273	1.9
315.18280	1.5
321.50418	0.4
331.11212	0.5
333.19144	3.8
357.19003	0.6
375.20221	100.0
376.20569	12.3
391.49622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72739	0.5
61.98854	0.8
71.54338	0.7
71.82510	0.6
74.99087	2.9
93.00155	0.9
97.33140	0.6
143.05368	0.7
149.00894	0.8
159.08482	10.5
161.06404	3.1
202.74947	0.6
205.55742	0.7
209.01285	2.3
217.07162	1.7
261.04486	1.1
275.05893	1.8
277.07504	2.9
289.07669	1.6
291.09094	95.2
292.09216	13.1
357.13788	2.1
359.15329	100.0
360.15466	17.9
375.18405	9.8
376.18527	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57040	2.0
59.01386	20.5
61.98837	11.3
71.53884	4.4
75.00880	3.1
95.17091	2.1
98.90694	5.4
277.21707	100.0
278.22073	11.2
381.13977	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	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53301	0.6
74.76978	0.4
74.99067	2.6
75.34631	0.3
75.74626	0.3
76.28590	0.3
80.61360	0.3
93.00121	0.5
143.05327	0.7
149.00989	0.8
159.08470	10.2
160.08714	0.5
161.06380	2.2
183.73232	0.4
192.98096	0.5
209.01279	2.3
217.07169	1.5
261.04376	0.4
275.05881	0.8
277.07458	2.0
278.07510	0.4
289.07495	1.8
291.09094	94.3
292.09204	14.3
309.10126	0.6
357.13861	1.9
359.15335	100.0
360.15497	17.8
375.18457	9.2
376.18640	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
57.03448	13.6
59.01100	1.0
59.01378	9.1
68.99833	0.7
69.83284	2.3
71.01374	4.4
72.99316	3.2
73.02945	1.4
75.00883	3.3
79.67673	0.5
83.01397	2.8
84.02177	2.7
85.02952	100.0
86.03295	2.1
87.00863	0.9
89.02451	0.7
101.02453	1.4
101.29251	0.6
103.00379	1.5
111.00892	5.8
112.01187	0.6
115.00430	0.7
129.01938	9.7
147.02992	14.5
173.00920	2.2
183.10248	2.3
191.01993	29.3
192.02315	1.1
209.03004	0.8
237.13496	0.6
245.88397	0.6
253.14557	0.6
287.13364	0.7
315.18185	1.0
333.19330	1.8
375.07361	1.2
375.13068	7.1
375.20285	1.2
386.09106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48019	0.6
54.09300	0.6
55.01863	2.7
57.03451	14.3
59.01378	7.9
61.98830	3.0
68.99808	0.9
71.01379	3.0
71.13068	1.5
72.99313	1.4
73.02956	1.3
75.00874	1.2
83.01390	2.8
84.02171	2.7
85.02950	100.0
86.03292	2.0
87.00892	1.2
88.79241	0.5
89.02435	1.9
101.02414	0.7
103.00406	1.5
111.00885	3.4
112.14256	0.5
125.96667	0.6
129.01927	11.3
130.02296	0.8
131.03523	0.7
132.95512	0.6
135.04520	1.6
136.04842	1.3
147.02986	15.1
149.04558	7.8
150.04900	3.5
173.00908	3.4
180.03775	1.7
183.10207	1.7
191.01964	29.2
192.02246	0.9
194.25934	0.6
263.68973	0.7
312.08179	2.1
333.19144	0.9
357.11966	1.0
375.12878	7.4
375.20190	0.8
376.13181	1.4
386.27090	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84590	0.7
54.96773	0.6
55.01881	2.0
57.03452	13.1
59.01377	7.7
60.79671	0.6
61.98808	0.9
62.59357	0.6
68.99819	0.7
69.54698	2.9
69.55116	1.5
69.85015	0.7
71.01392	3.3
72.99299	1.9
75.00867	2.1
75.64227	0.7
83.01396	2.9
84.02162	2.8
85.02953	100.0
86.03293	2.2
87.00899	1.3
89.02464	0.8
95.73304	0.6
98.20680	1.0
101.02429	1.5
103.00377	1.7
111.00882	4.4
115.00373	1.0
129.01949	9.7
147.02991	16.2
149.04515	0.9
150.04912	1.0
173.00911	2.0
183.10252	1.7
191.01973	30.1
192.02336	1.0
288.98694	0.7
333.18896	1.7
357.11926	1.1
375.13010	8.0
375.20184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
57.03452	13.6
59.01387	7.9
62.05840	0.5
66.92001	0.6
69.80200	3.0
71.01376	3.1
72.99320	1.5
75.00864	1.0
77.35224	0.5
83.01385	1.6
84.02163	1.8
85.02951	100.0
86.03281	2.4
87.00898	1.2
101.02465	0.9
103.00373	1.5
104.01076	0.6
111.00924	1.1
115.00396	0.7
123.91426	0.6
129.01942	9.2
147.02986	13.1
147.09908	0.6
149.04599	0.9
173.00879	1.2
178.07787	0.7
183.10147	0.7
191.01978	33.2
192.02286	0.9
209.03056	0.7
235.27995	0.6
294.54581	0.5
357.11920	1.7
375.12955	8.3
376.13205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88730	1.3
51.42037	1.3
55.01878	2.1
57.03438	5.3
58.99606	15.8
59.01378	20.2
61.98827	4.3
69.03453	3.3
69.20685	13.1
71.01380	4.9
71.05018	3.0
72.99313	1.6
73.02966	2.7
74.00686	4.7
83.05022	2.5
85.02947	20.8
87.00872	4.7
87.02739	3.1
95.05007	2.3
97.02937	10.4
101.04305	5.5
102.98594	67.5
110.01964	18.2
111.00876	1.9
111.02744	3.9
111.04536	1.8
112.05715	1.4
120.99642	2.8
129.01941	3.8
131.03500	3.3
135.08165	4.1
136.00745	6.0
137.09723	55.2
138.10051	3.6
139.11302	7.0
141.05675	1.8
147.03014	3.1
149.09749	9.3
151.05852	1.5
153.07454	5.5
167.10771	46.4
172.05637	6.2
183.08485	80.9
183.10074	3.5
184.08800	5.4
185.11787	10.3
191.01994	4.6
191.05644	2.6
201.09650	2.6
201.11333	7.8
211.09750	14.0
211.91626	1.3
227.07463	49.4
245.08502	100.0
246.08665	7.1
271.10004	3.1
287.09637	1.4
315.09067	53.5
315.12689	3.1
315.18015	2.9
316.09375	4.7
333.10120	64.2
333.19055	4.4
334.10541	7.1
375.11182	54.8
375.16318	8.8
375.20590	3.2
376.11459	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	375.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12877	1.2
57.03445	4.6
59.01380	3.4
61.98827	2.8
65.00311	1.2
67.01897	1.4
68.50072	1.1
70.85480	1.0
70.99549	2.0
71.01387	1.2
72.99306	1.4
75.00871	3.2
81.03463	5.0
83.01394	12.2
85.02947	6.9
87.00872	10.4
93.03470	2.2
95.01350	1.6
95.05034	3.8
97.02958	7.7
99.04524	1.3
105.01920	3.3
107.01408	2.8
107.05038	4.0
109.02950	17.0
110.88413	1.0
121.02954	6.7
123.04533	14.8
125.02451	52.2
126.02802	3.1
127.04028	2.2
135.04559	1.9
137.02452	24.1
139.04007	6.1
146.31218	1.2
147.03027	1.3
149.02414	6.6
151.00378	10.2
151.04010	9.3
153.01941	94.0
154.02289	4.0
160.45108	1.3
165.01932	55.4
166.02252	2.1
167.03497	38.0
168.03847	1.5
177.01941	10.0
178.02261	1.4
181.57541	1.1
183.02985	100.0
184.03325	4.8
186.34456	1.2
191.01959	1.2
191.03488	1.3
195.02986	76.4
196.03308	5.2
198.35977	1.1
200.05618	1.2
207.02869	2.1
210.20148	1.0
213.04073	22.1
214.04533	1.2
219.03046	3.1
235.25386	1.1
237.04074	1.5
268.68845	1.1
287.07642	1.6
315.07193	23.8
316.07513	2.3
345.08267	17.8
346.08499	2.8
357.08255	20.4
358.08200	2.4
375.09290	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	374.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14246	0.7
59.01379	2.6
61.98829	100.0
66.05730	0.7
76.59360	0.8
77.41946	0.7
85.18523	0.7
89.02414	0.8
91.74049	0.8
98.74035	0.8
121.24599	0.8
149.04593	1.4
217.00232	1.0
336.32983	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.9923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60509	0.3
59.01380	74.6
60.01723	0.6
61.98835	3.5
71.29597	0.6
71.29984	0.4
90.97146	1.7
114.98907	1.2
118.96651	1.0
132.98180	2.9
156.99965	2.1
160.97612	0.4
171.97397	0.8
172.97459	0.5
174.99249	26.5
175.99596	0.7
201.02544	4.7
202.02771	0.7
217.00294	100.0
218.00629	4.5
218.98396	0.6
231.41971	0.4
231.99603	0.8
232.99678	0.5
275.72888	0.4
314.98959	2.2
315.02209	0.6
374.99200	7.0
375.99377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25553	1.0
54.99018	0.9
55.14289	1.0
57.99775	0.8
59.01379	7.0
61.98827	100.0
65.32613	1.0
68.66265	1.0
69.78538	4.3
90.65360	0.9
92.08693	1.1
104.55585	1.0
119.02742	1.1
122.57795	0.9
142.49815	0.9
158.10054	1.0
185.89996	0.9
217.00258	1.2
310.94647	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02809	0.9
55.01879	1.5
57.03450	9.4
59.01369	6.4
61.98833	19.2
62.56881	0.9
68.99903	0.9
70.85148	2.1
71.01390	3.6
73.02947	2.6
75.00845	1.1
84.02170	1.5
85.02954	67.7
87.00874	2.5
89.02447	15.8
101.02487	1.0
103.00351	1.1
103.04004	1.7
111.00877	3.0
111.89955	0.8
129.01930	9.6
131.03510	5.5
134.03793	1.7
135.04529	20.0
136.04842	1.3
147.03014	11.2
149.04559	100.0
150.04924	3.1
156.96252	0.9
161.02478	2.9
169.05133	0.9
173.00938	1.7
179.03496	16.6
180.03874	1.2
191.01961	25.9
191.03662	1.7
311.07684	20.0
333.19247	1.1
353.92398	1.1
375.12830	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	373.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.9
59.01377	24.0
61.98821	3.7
62.04345	1.6
65.29767	1.2
69.75771	6.7
73.18950	1.3
78.95941	1.4
97.06622	1.6
98.20602	3.1
110.86005	1.5
121.10247	15.3
125.09743	7.6
144.17328	1.5
147.08089	1.7
149.04517	2.3
151.03987	2.1
185.11804	11.5
197.11864	3.2
207.09991	4.3
209.11882	1.5
211.13399	2.8
243.61832	1.4
245.19157	7.6
277.21692	1.6
291.19669	60.9
292.19946	4.6
313.17825	100.0
314.18210	12.7
373.12186	4.4
373.19196	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	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01874	1.0
57.03445	0.8
59.01378	100.0
60.01709	1.3
61.98823	0.9
69.47138	1.5
69.47547	0.8
71.01378	14.5
73.02948	6.3
75.59444	0.3
81.07085	2.4
83.01400	1.3
85.02949	4.8
86.00101	2.6
86.95401	0.4
87.00887	2.2
89.02442	7.3
95.01413	1.2
97.02943	0.4
98.19838	0.4
99.00898	1.1
101.02438	10.8
101.06130	0.6
109.19839	0.3
113.02446	6.0
113.03167	0.5
119.03510	3.4
120.06108	0.4
122.74516	0.3
125.02499	0.7
131.03499	0.6
143.03537	1.3
159.03024	0.9
159.06638	4.6
161.04556	7.5
179.05637	2.2
196.72974	0.4
239.24289	0.4
249.09784	2.2
313.16583	3.2
331.17654	3.5
332.17935	0.4
367.11441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01880	1.1
57.03421	1.9
58.00576	3.5
59.01379	100.0
60.01706	1.3
70.68687	1.9
70.69035	1.6
71.01383	50.2
72.23598	1.1
72.99297	4.1
73.02947	2.8
83.01373	3.2
85.02950	13.0
87.00838	2.1
89.02444	57.3
90.02766	1.8
95.01382	3.7
101.02440	31.0
109.02875	1.1
111.00885	1.7
112.26444	1.1
113.01712	1.8
113.02450	23.5
114.02728	1.1
119.03509	30.2
123.00827	1.5
123.04492	1.3
124.01670	1.3
131.03519	2.6
143.03462	4.0
145.48679	1.0
149.04514	1.6
161.04550	3.9
163.04021	2.2
179.05560	3.9
193.12326	5.9
211.13330	1.5
232.88791	1.0
237.92555	1.0
298.08630	1.3
313.10809	2.9
313.19885	1.1
325.92413	1.3
331.17789	2.1
331.21167	3.8
373.12985	7.1
373.18552	44.3
373.22391	2.4
374.18890	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	373.1865
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
54.68189	0.3
58.00598	0.6
59.01378	100.0
60.01706	1.5
63.48655	0.3
69.03445	0.3
69.55701	2.0
71.01379	8.6
72.99308	0.4
73.02945	10.2
83.01395	1.8
85.02950	2.3
86.27345	0.3
89.02446	5.2
95.01383	0.4
97.02982	0.4
98.19994	0.6
101.02444	7.8
113.02445	4.6
119.03510	1.6
124.48501	0.3
125.02463	0.3
131.03551	0.6
136.81371	0.3
140.30406	0.3
143.03529	0.6
149.04576	0.9
155.03485	0.4
161.04567	0.9
179.05612	0.6
197.11874	0.5
280.72769	0.3
331.17606	0.6
331.21228	0.5
362.04922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03428	0.9
58.00594	0.9
59.01377	100.0
60.01726	1.5
61.98827	0.5
69.03465	0.6
69.39462	2.6
69.39867	0.6
71.01379	24.4
72.01727	0.5
72.99316	0.7
73.02945	19.0
75.00854	0.7
81.03442	0.5
83.01385	6.0
85.02950	5.8
87.00883	1.4
87.04516	2.0
89.02438	10.9
95.01385	1.3
97.02946	0.5
99.00918	1.2
101.02439	20.6
102.02804	0.6
109.02954	0.8
111.04491	0.4
113.02444	9.4
119.03492	5.2
123.00916	0.6
125.02438	1.5
131.03523	1.7
143.03522	1.6
149.04539	1.1
161.02502	0.5
161.04524	4.4
169.12393	0.7
171.10263	1.0
175.85341	0.4
179.05630	1.9
203.05579	0.5
299.01816	0.5
329.09381	1.0
331.17694	1.9
331.21390	0.5
345.04523	0.5
373.22476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44224	0.3
57.03439	0.5
59.01379	100.0
60.01715	1.2
69.43366	0.7
69.43781	1.5
71.01381	5.7
73.02947	3.8
83.01394	1.0
84.64659	0.3
85.02956	2.3
89.02448	3.2
95.01390	0.7
99.00920	0.8
101.02441	3.7
101.60268	0.3
103.61160	0.3
111.00777	0.3
113.02431	2.0
118.73388	0.3
119.03537	1.3
131.03444	0.4
143.03497	0.4
149.04556	1.7
153.01996	0.8
161.04532	1.8
181.01405	4.0
188.66299	0.3
195.03172	0.4
196.03778	0.7
197.11862	0.9
211.06081	3.4
211.13388	0.8
241.10834	0.8
251.46964	0.3
252.03355	0.4
313.16635	0.7
331.17679	2.3
331.21378	1.3
373.18817	1.2
373.22806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46839	0.3
54.18132	0.3
55.01878	0.4
57.03430	0.4
58.00599	0.5
59.01376	100.0
59.13377	0.2
60.01711	1.5
63.65066	0.2
63.76610	0.3
66.57747	0.3
70.49592	0.3
70.91360	0.3
71.01378	5.9
71.54758	0.3
71.55132	0.4
72.99338	0.3
73.02940	4.0
83.01385	1.1
85.02947	2.0
87.00864	0.3
89.02440	4.6
89.02946	0.4
95.01388	0.5
95.70053	0.3
99.00867	0.3
99.15402	0.2
101.02439	4.3
101.11024	0.3
107.05012	0.3
108.31649	0.3
109.03084	0.3
113.02438	2.9
119.03503	1.8
123.00877	0.4
124.01676	0.7
131.03484	0.5
132.04585	0.7
134.27890	0.3
137.02464	0.6
143.03531	0.3
149.04549	2.0
152.01210	0.6
152.04794	0.5
153.01900	1.6
161.04587	1.0
167.03555	1.0
179.10727	0.3
181.01425	5.2
195.02977	3.4
196.03714	2.8
197.04260	0.3
197.11824	3.9
198.12109	0.3
199.33751	0.3
211.06094	8.4
212.06525	0.3
241.10814	2.5
269.17487	0.5
271.15585	0.5
313.16669	1.1
313.20053	0.3
327.03485	0.3
329.11734	0.3
331.17706	1.8
331.21045	0.4
343.06888	0.4
351.87805	0.3
358.10092	0.6
373.10675	1.4
373.15027	1.3
373.18900	0.9
373.22644	0.3
374.08246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81469	0.4
57.03450	0.8
59.01380	100.0
60.01728	1.5
61.98830	2.8
69.03463	1.7
71.01384	7.1
71.23241	0.9
73.02943	6.4
74.00703	1.7
75.00874	0.5
79.58300	0.4
83.01398	1.4
83.05030	0.5
85.02950	3.6
87.00887	0.6
89.02460	2.4
93.03474	1.1
93.97332	0.3
95.01413	0.8
95.05044	0.6
99.04517	0.6
101.02444	5.2
111.00884	0.8
113.02441	3.3
119.03510	0.9
119.05078	0.6
123.00900	1.5
124.01684	1.3
125.02438	1.0
131.03517	0.6
133.06641	0.5
136.00764	1.5
137.02461	1.6
139.11331	1.3
143.03506	0.5
149.04581	1.5
155.10767	1.0
161.04562	1.9
162.40395	0.4
167.03555	1.6
169.08855	0.5
175.40546	0.4
183.10231	5.0
197.11823	0.9
199.09668	0.6
209.04553	2.6
249.13675	0.6
307.28406	0.5
313.16605	1.0
331.14301	0.7
331.17587	3.2
373.09177	2.7
373.14249	1.5
373.18927	1.5
374.09509	0.5
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	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
56.64635	0.4
57.03446	1.1
57.68034	0.4
58.00590	0.5
59.01377	100.0
60.01717	1.4
61.98813	0.6
67.04315	0.4
71.01379	11.2
71.54964	0.7
73.02944	6.2
78.28963	0.4
83.01389	2.1
85.02940	4.6
87.00902	0.7
89.02438	5.0
94.91000	0.4
95.01381	0.8
99.00896	1.7
101.02434	7.4
101.53086	0.4
113.02447	4.6
119.03481	2.0
125.02467	0.7
131.03545	0.9
143.03510	0.7
155.10829	1.1
159.02934	0.6
161.04550	5.2
171.48367	0.4
197.11856	2.3
199.09862	0.5
210.25337	0.5
237.11389	0.6
241.10780	2.3
313.16660	0.6
313.20126	0.5
331.17657	4.6
331.21317	1.5
341.32730	0.5
373.14816	1.5
373.22473	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86831	1.0
57.03444	3.4
57.30555	0.9
59.01378	100.0
60.01730	1.7
61.00220	0.9
64.83299	1.1
69.03446	1.1
69.38030	7.6
71.01386	3.4
73.02937	4.0
74.03582	1.0
78.37217	1.0
83.01422	1.0
83.05015	1.3
85.02940	2.4
87.00875	2.1
88.00986	0.8
89.02439	6.9
95.01386	1.4
95.05041	0.9
98.19849	1.4
99.04486	1.4
100.96752	0.9
101.02454	1.9
113.02476	1.6
119.08652	2.3
123.00864	5.7
124.01673	5.5
131.03494	2.2
132.77876	0.9
135.08226	1.3
137.02467	2.7
137.09763	4.8
149.04547	29.3
175.78705	0.8
177.05501	1.0
179.10802	3.1
181.08699	6.4
183.10229	1.9
185.29761	0.9
197.11813	62.3
198.12146	4.6
241.08322	1.9
241.10789	34.0
242.10977	2.1
269.17551	1.1
306.62549	1.0
310.77417	1.0
313.16489	1.3
331.17523	4.1
331.21066	1.5
368.82831	1.1
373.15289	22.0
373.19702	1.4
374.15717	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	373.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49310	0.7
53.10693	0.6
57.03419	0.9
59.01379	100.0
60.01716	1.0
61.98837	2.9
71.01382	9.0
71.53489	0.8
72.99353	0.6
73.02962	2.8
74.02472	1.2
75.00889	0.6
83.01391	1.5
85.02956	6.0
87.00868	1.3
89.02448	3.8
91.27438	0.6
93.03465	1.5
94.06628	0.9
95.01369	0.7
99.00896	1.9
101.02444	4.8
106.04240	1.3
107.05017	1.4
109.03026	0.8
111.00892	1.0
113.02444	4.4
122.02446	0.8
123.04543	1.4
124.01670	1.7
124.07751	1.0
125.02435	5.0
135.04523	2.1
136.01637	1.2
137.02435	4.1
138.03204	1.3
139.00389	2.1
139.04013	1.9
149.02504	1.1
149.04547	8.3
149.05811	0.8
150.03217	0.6
150.51372	0.6
151.04031	5.8
151.07649	29.3
152.04793	23.5
152.07977	2.0
153.01849	0.8
153.05594	3.4
154.02710	1.8
159.03004	0.7
161.02440	0.8
161.04552	10.5
165.01939	1.6
165.05484	0.6
166.02728	1.0
167.03442	1.3
167.07164	3.9
168.06621	1.6
168.98859	0.7
169.05061	1.4
177.01938	0.8
178.02710	1.5
179.03452	2.7
180.00612	4.7
180.04449	0.8
181.01440	2.0
191.05612	2.2
193.04900	3.2
195.02994	9.9
196.03780	8.7
197.04376	1.0
198.53690	0.6
199.09743	1.1
205.03448	1.0
210.06775	0.9
211.06116	26.8
212.06357	1.1
213.51689	0.6
218.77213	0.7
225.04211	1.1
297.38242	0.8
311.07620	1.5
313.12958	0.9
331.17404	1.5
358.09015	2.1
372.99686	0.9
373.11368	27.5
374.11707	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19260	1.4
57.03461	1.4
59.01380	45.1
65.48148	1.3
71.00169	3.2
71.01385	5.8
72.99303	2.3
73.02946	1.5
75.67686	1.2
81.03457	3.3
83.01381	2.4
85.02946	15.5
95.01394	7.7
99.00898	1.6
101.02431	2.9
103.70856	1.2
108.02175	100.0
109.02965	85.0
110.03309	2.3
113.02428	4.4
115.75352	1.2
118.03308	1.4
123.00897	4.3
123.04549	3.2
125.02452	10.7
129.01964	2.2
135.04555	1.7
151.03999	9.5
153.01929	12.6
161.04547	4.0
167.03499	3.1
168.04256	5.2
169.05112	1.8
188.39752	1.4
193.05099	1.7
203.05678	6.4
205.03505	7.5
223.04587	3.5
253.07112	2.5
313.09277	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	373.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22829	0.8
53.87779	0.8
55.01881	2.2
56.29451	1.0
57.03450	2.7
59.01380	100.0
60.01706	2.0
61.35105	0.9
61.98833	1.8
69.03453	1.0
69.57642	3.9
71.01383	16.6
71.05013	1.2
72.99327	1.5
73.02946	98.7
74.03271	1.7
81.03493	1.2
83.01398	2.7
83.05028	1.0
85.02968	5.7
87.00890	3.1
89.02450	24.7
95.01378	2.2
101.02431	10.8
103.03994	1.1
113.02441	5.7
113.35355	0.9
117.00130	1.1
119.03499	3.0
121.06603	1.1
123.04515	1.4
123.08138	2.2
130.08719	2.4
131.03488	6.3
133.02896	0.8
137.09650	0.9
143.03497	0.9
149.04561	77.4
150.04921	3.0
155.10736	1.4
161.04579	6.6
167.03474	2.5
167.07147	1.8
183.10223	2.2
183.47977	1.0
189.03973	0.9
195.90256	0.9
197.11823	59.9
198.12196	3.2
221.04501	2.2
241.10805	19.2
257.13812	0.9
313.16681	2.8
331.17535	11.2
332.17957	1.6
355.06445	1.0
373.08148	2.0
373.14877	20.5
373.18976	3.8
374.15298	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	373.1139
Annotation	Citrifoside
Peak:m/z	Relative Intensity
53.47707	1.4
57.03425	1.6
59.01378	26.9
61.98815	5.9
68.79306	1.3
69.66868	8.8
71.01382	19.8
72.59111	1.4
72.99295	4.9
73.02937	4.0
74.02457	1.7
75.00878	2.4
83.01389	3.5
85.02942	14.8
87.00890	5.4
89.02451	7.9
95.01403	3.3
98.19970	3.3
99.00867	2.9
101.02422	10.0
104.02263	1.3
107.01394	1.7
107.05028	3.6
108.02163	42.2
109.02342	1.9
109.02972	21.5
111.00900	2.8
113.02448	4.9
119.05003	2.3
121.02936	2.2
122.03736	6.5
123.00895	9.7
123.04528	18.6
124.01688	7.0
125.02390	1.9
129.01936	4.9
129.10329	1.6
132.02180	3.3
134.03746	2.9
135.04483	1.8
136.01642	3.2
137.02440	7.5
137.06038	5.1
148.01671	2.1
149.02449	1.9
149.04436	1.8
150.02026	2.2
150.03229	37.1
151.00397	2.0
151.04007	11.0
152.01149	2.3
152.04782	1.6
153.01955	2.3
161.04526	3.9
163.03999	5.0
164.01135	2.8
165.01920	37.4
165.05502	7.1
166.02699	16.8
167.03481	7.6
167.05490	2.7
167.07040	1.2
177.01889	3.6
177.05676	1.5
178.02707	34.7
179.03357	4.7
181.05046	28.7
193.05048	100.0
194.05443	7.5
195.02983	2.2
196.03871	3.8
205.03430	2.8
210.58000	1.3
211.04378	2.0
211.06088	12.9
223.04518	1.9
235.05991	1.5
276.20566	1.4
286.87494	1.5
310.13293	1.5
313.09311	1.9
328.07968	8.8
329.07990	1.8
343.10303	79.1
344.10641	7.8
355.10260	18.8
373.06766	8.0
373.11322	46.1
373.16342	3.4
373.21054	3.1
374.11703	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	373.1138
Annotation	Citrifoside
Peak:m/z	Relative Intensity
55.01873	1.4
57.03426	1.9
59.01107	1.9
59.01381	19.7
61.98834	3.1
69.58204	2.2
69.58613	4.8
71.01385	12.5
72.37818	1.0
72.99323	3.0
73.02946	4.4
75.00874	4.7
83.01383	2.9
85.02956	9.1
87.00880	3.9
89.02443	7.3
95.01383	1.7
98.19863	1.3
99.00877	2.7
101.02445	6.4
107.01404	1.6
107.04993	2.5
108.02173	31.0
109.02969	15.9
111.00849	2.3
113.02443	4.6
119.03451	1.6
121.03002	2.1
122.03734	6.9
122.50425	1.2
123.00887	7.5
123.04523	20.3
124.01682	6.9
125.02441	2.1
129.01920	2.7
130.08746	1.1
132.02119	2.3
134.03751	2.1
134.50029	1.5
135.04500	1.4
136.01624	2.4
137.02426	4.5
137.06081	5.2
148.01639	2.0
149.02493	1.4
149.06111	2.1
150.03226	41.2
151.03938	4.3
152.01112	1.4
153.05582	2.8
161.04538	1.5
163.03935	1.3
164.01140	4.7
165.01930	36.3
165.05544	7.7
166.02696	17.4
167.03502	6.0
167.05412	1.6
177.01923	6.5
178.02704	32.0
179.03476	3.8
181.05049	32.1
182.05374	1.5
193.05049	100.0
194.05399	6.8
195.02997	4.3
196.03802	2.0
203.65857	1.2
205.03535	1.9
211.06090	8.2
223.04594	1.6
328.08023	11.6
343.10327	93.1
344.10599	9.5
355.10291	18.9
356.10654	2.4
373.11404	47.1
374.11792	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	373.0928
Annotation	Casticin
Peak:m/z	Relative Intensity
50.35403	0.6
59.01343	0.7
61.98819	1.3
62.18797	0.5
70.79240	1.3
83.02129	0.6
96.80090	0.6
100.61443	0.6
127.59233	0.6
131.73802	0.6
134.00060	0.7
148.01704	1.2
153.05508	1.7
163.03960	2.4
164.98289	2.8
169.02942	1.8
172.05264	0.7
176.98206	1.3
180.00636	0.9
184.05217	1.1
185.02446	2.0
186.03177	2.0
189.95518	0.6
197.02400	1.9
200.04681	0.8
212.04811	0.8
213.01924	5.1
225.01765	0.7
226.02617	0.9
228.04228	2.1
229.01382	2.6
241.01384	5.9
242.01990	1.3
243.02872	0.8
244.03661	0.7
249.40190	0.7
254.02173	1.2
255.02916	1.7
256.03708	1.9
257.00879	14.7
258.01294	1.4
259.06122	1.7
269.00891	2.7
270.01389	1.0
271.02475	5.6
272.03156	2.8
283.02493	2.1
284.03140	2.0
285.00409	51.2
286.00851	4.6
287.05521	1.2
299.02026	5.7
300.02740	56.4
301.03043	5.9
312.99896	14.1
314.00320	1.1
315.05118	23.0
316.05432	2.6
327.01404	1.5
328.02234	20.9
329.02570	2.5
343.04565	93.3
344.04932	9.4
358.06924	100.0
359.07224	12.1
373.09265	55.8
373.14282	0.8
374.09616	7.9
374.24548	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	373.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90843	0.4
52.92101	0.5
59.01379	100.0
60.01711	1.6
61.98838	1.7
71.01389	4.5
71.54211	0.8
72.99319	1.0
73.02949	5.6
76.80876	0.4
83.01394	0.7
83.05050	1.3
83.80311	0.5
85.02948	3.0
89.02442	1.5
91.01890	2.6
93.03465	2.8
95.05041	2.1
97.06590	0.8
99.00919	0.7
99.04550	0.9
101.02427	3.3
107.05033	0.9
108.02188	0.7
109.06578	1.0
113.02470	1.9
116.84889	0.5
119.01392	1.4
119.03519	0.7
121.02949	3.3
123.08191	1.7
127.33616	0.5
137.02470	3.2
149.04561	3.1
151.04005	49.6
152.04338	2.6
159.03078	0.6
161.04568	4.4
169.08705	0.5
178.16925	0.7
181.23315	0.5
243.07198	0.6
281.06650	0.9
313.16483	4.1
314.17200	0.7
331.17630	14.4
332.18097	1.3
373.14923	0.6
373.18729	12.0
374.19366	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32497	2.0
52.13332	1.6
59.01382	23.7
61.98822	6.9
65.00320	29.6
65.03922	1.8
67.01912	2.7
69.03459	2.1
71.01378	7.7
71.24781	3.4
73.02945	44.0
74.02464	3.2
76.13136	1.8
79.05550	2.4
83.01383	4.2
85.02934	4.3
89.02437	7.6
93.03443	8.4
95.01383	7.9
95.04986	2.1
96.95961	2.6
98.95566	4.8
101.02413	3.4
107.05036	5.2
108.02187	3.1
109.02340	2.2
109.02962	26.3
113.02431	5.1
121.02965	29.1
121.06585	2.0
122.03755	8.8
123.00857	4.2
123.04510	4.4
123.08118	3.1
124.01634	8.7
125.02441	3.0
134.03741	5.1
135.04526	5.7
136.01640	6.5
137.02443	78.2
138.02798	2.4
147.04546	2.4
149.02460	17.6
149.04550	25.6
149.05798	3.1
150.03212	2.0
151.00415	2.9
151.03978	5.4
152.03421	2.3
153.01888	4.0
154.02682	3.3
155.88249	1.9
159.04578	2.0
161.06085	2.0
162.03229	11.3
163.03976	12.3
164.04782	3.5
165.01883	7.7
167.03499	74.0
168.03831	11.7
169.03938	7.6
173.04544	2.0
177.05522	4.6
179.07036	2.0
190.06210	2.2
197.11830	21.5
221.04309	2.0
227.16527	4.6
229.18140	2.6
241.10867	10.4
271.19171	6.6
285.11212	3.0
299.09146	4.3
311.10483	4.5
313.16501	7.7
314.07950	30.5
315.08536	3.3
329.10287	100.0
330.10678	9.7
331.17599	15.1
373.09509	5.3
373.14352	3.4
373.17920	9.9
373.22787	9.8
374.18246	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	373.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21997	1.9
55.01868	2.3
57.03448	2.7
59.01377	22.5
61.98841	10.3
65.00324	27.5
67.01885	3.6
68.99786	1.7
69.03444	4.7
69.50569	15.3
71.01376	10.3
71.05023	1.8
73.02948	56.5
73.69541	2.4
74.02482	3.0
77.03953	2.1
81.03446	2.5
82.91521	2.2
83.01415	3.4
85.02946	6.2
87.00877	2.6
89.02462	5.9
93.03471	4.7
95.01390	9.7
95.05034	3.6
96.96014	5.6
97.06607	2.2
98.19939	4.5
98.95596	6.7
101.02461	4.6
105.03479	2.9
107.05051	5.0
108.02174	3.5
109.02950	30.1
113.02462	3.5
121.02956	29.6
122.03735	6.8
123.00904	3.8
123.04517	5.3
123.27586	2.0
124.01674	5.8
125.02457	4.4
131.03595	2.4
134.03731	3.5
135.04512	4.8
136.01640	9.3
137.02446	66.7
138.02841	2.1
147.04503	2.3
149.02495	16.9
149.04544	36.8
149.05931	3.2
150.04883	2.8
151.00407	5.2
151.03981	8.5
152.03560	2.3
152.43506	2.3
153.01915	3.7
161.05983	2.3
162.03250	9.6
163.04010	11.4
164.04866	2.6
165.01927	9.6
167.03502	70.6
168.03882	10.7
169.03903	9.8
177.05560	3.2
179.07108	2.9
197.11790	23.8
205.08597	2.1
209.44566	1.9
211.16946	2.8
218.57933	2.2
227.16505	6.6
229.18132	2.3
241.10770	10.0
241.17979	3.4
271.19153	8.0
285.11224	2.8
305.04312	1.9
311.10345	3.8
313.16544	9.0
314.07947	33.4
315.08279	3.4
329.10294	100.0
330.10635	9.2
331.17612	16.9
348.97327	2.8
373.09921	11.1
373.14722	4.3
373.18149	10.1
373.22592	10.8
374.18497	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	373.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58136	0.7
57.03457	1.1
59.01370	2.3
59.57343	0.6
65.00311	0.9
69.80058	2.6
69.80485	1.3
71.01377	1.1
75.00938	0.8
75.28988	0.7
81.03458	3.3
83.01385	13.3
84.01719	0.7
85.02960	2.2
91.01902	1.1
93.03473	1.9
97.02943	0.9
103.00368	1.2
107.01392	19.5
107.95345	0.8
111.00895	1.0
113.02473	1.2
117.28993	0.7
119.05025	1.9
121.02946	1.4
123.00886	2.4
123.04515	5.3
125.02434	8.0
129.01926	1.4
131.03470	0.9
135.04498	2.2
137.02449	2.7
137.06122	0.8
139.00426	1.1
139.04048	1.7
147.04491	1.3
148.01682	0.8
149.02454	6.3
149.04553	2.2
151.00366	6.0
151.03961	0.8
151.58250	0.8
154.02812	0.9
163.04037	3.6
165.01932	1.6
165.05377	0.9
167.03499	14.7
178.02788	1.3
179.03473	2.7
180.04181	0.9
191.03505	3.3
193.01411	14.3
193.05077	1.4
197.04582	1.8
205.01433	5.3
207.02991	2.4
209.04498	1.0
218.99411	1.6
235.02473	92.7
236.02824	6.8
247.02550	1.2
253.03523	19.8
254.03920	1.0
265.03519	36.1
266.03897	2.1
277.03604	1.2
283.04602	4.3
295.04544	1.2
337.05618	2.2
342.64944	0.8
355.06705	29.4
356.07071	3.0
373.07745	100.0
374.08093	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	373.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91514	0.6
59.01376	0.8
65.00310	1.6
69.45071	3.2
69.45492	1.6
71.01373	1.1
81.03451	3.3
83.01392	12.7
84.91805	0.8
93.03439	1.0
95.01398	0.9
95.05018	0.9
98.19963	1.4
105.03434	1.0
107.01393	21.1
108.01675	0.7
113.02474	0.8
119.05057	1.2
121.02946	1.4
123.00879	1.8
123.04552	3.8
125.02459	6.5
135.04503	1.8
137.02458	2.2
137.06142	1.1
139.04039	1.9
147.04520	2.1
149.02441	4.3
149.04570	2.4
151.00375	6.9
161.02489	0.8
163.04044	3.7
165.01889	1.7
167.03485	8.5
178.02730	1.0
179.03471	2.2
191.03479	2.8
193.01410	14.1
197.04584	1.4
205.01413	4.9
206.02162	1.3
207.02992	2.8
234.19856	0.6
235.02478	85.6
236.02811	7.5
239.05673	0.8
244.05504	0.6
247.02350	0.7
253.03563	19.6
265.03531	35.8
266.03857	1.6
277.03467	1.3
283.04581	3.3
295.04568	1.2
337.05576	2.7
355.06723	27.6
356.07123	2.6
373.07764	100.0
374.08105	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	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
61.98829	100.0
70.73170	2.4
81.39334	1.1
83.01410	1.7
99.94816	1.0
101.96521	0.9
104.77091	1.1
121.02946	1.3
137.02451	1.4
372.11624	6.5
372.15405	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.3
61.98829	100.0
69.50900	9.2
83.01391	3.0
98.97748	1.5
121.02927	1.5
141.06856	1.2
235.43944	1.4
236.63095	1.4
245.65852	1.3
269.46323	1.3
372.11414	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	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.4
61.98827	100.0
66.35264	1.3
67.44715	1.4
83.01381	1.8
100.85694	1.2
109.02979	1.3
118.25805	1.2
248.07500	1.2
251.77621	1.3
372.11655	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	10.1
61.98828	100.0
83.01376	8.1
109.02905	5.0
137.02452	5.2
138.02789	3.8
159.38705	2.8
166.43340	2.1
223.70261	2.3
316.95435	2.2
372.11578	20.8
373.12143	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	373.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.6
59.01382	13.6
61.98820	2.5
65.01986	0.7
71.01377	2.6
71.30622	0.9
72.99303	3.5
73.02965	0.8
81.03455	5.6
83.01387	11.0
85.02962	4.4
93.03465	1.4
95.01399	1.5
99.00880	2.1
99.31158	0.7
108.02179	29.8
108.02918	1.5
109.02984	18.0
110.58572	0.8
113.02439	1.0
121.02955	1.0
123.00892	2.2
123.04507	2.8
124.01654	2.7
125.02456	100.0
126.02784	3.7
129.01979	1.1
135.04559	1.8
139.04013	1.0
143.03473	1.2
149.02444	4.8
151.04007	3.0
153.01929	2.5
158.85683	0.8
161.04587	2.3
163.21844	0.8
167.03505	2.1
179.03653	0.8
203.05588	2.3
205.03537	6.6
223.04573	2.6
235.02443	2.8
236.16093	0.8
240.59612	0.9
253.07185	2.4
254.06949	0.8
271.08392	0.8
313.09259	2.1
329.08737	1.4
373.07629	3.7
373.11740	1.9
373.16049	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
57.03448	0.2
59.01381	11.0
60.01702	0.2
61.98825	1.2
65.99837	0.4
71.01385	1.7
71.32150	0.2
72.44707	0.1
73.02949	0.8
83.01391	0.2
85.02937	0.6
85.05655	0.1
89.02435	1.2
91.11130	0.2
101.02439	1.3
103.91733	0.2
107.78374	0.1
109.02951	0.4
113.02435	0.8
114.69657	0.1
119.03493	0.5
121.02970	0.2
124.01646	0.4
125.35194	0.2
128.21706	0.2
137.02449	3.0
138.03233	7.5
139.03564	0.2
161.04585	0.3
167.02219	1.2
168.03020	100.0
169.03374	3.9
179.31139	0.2
180.21655	0.2
185.11801	0.7
193.12337	0.6
238.08694	0.4
331.17615	0.2
372.09338	7.3
373.09500	0.6
373.13773	0.3
373.18729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07111	1.3
57.10799	1.2
59.01371	5.5
61.98827	100.0
71.53850	1.6
83.01385	4.3
86.15347	1.4
108.32556	1.7
109.02912	2.2
121.02948	3.0
136.01613	1.7
137.02374	1.4
138.02702	1.6
142.68219	1.4
372.11569	10.8
372.15408	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39290	1.4
53.95672	1.3
59.01366	7.5
61.98830	100.0
67.01894	2.4
71.54294	2.2
83.01375	4.3
84.01691	1.6
106.93243	1.5
107.01323	2.7
108.02202	2.0
109.02935	1.8
115.92073	3.5
121.02937	2.4
123.00876	7.9
123.04510	1.7
138.03175	2.1
147.04492	2.6
162.03191	4.8
177.05574	7.3
183.93668	1.5
189.05580	2.9
190.06149	1.8
191.06674	2.2
193.05119	2.3
198.74368	1.6
243.14177	2.2
296.07709	1.8
312.10089	2.9
372.11829	5.7
399.45673	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	372.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.9
61.98821	2.4
71.01379	6.1
71.02737	0.8
83.01395	2.5
85.02953	3.0
87.00889	1.3
89.02448	2.9
90.61498	0.7
93.03435	1.4
95.01371	1.3
101.02445	3.1
103.04250	1.6
104.05067	24.8
105.05444	0.9
107.04984	4.2
108.02171	2.8
109.02972	0.8
109.13037	0.7
111.00888	0.9
113.02422	2.3
119.03459	0.9
120.04549	3.0
122.06097	1.0
123.00843	0.9
123.04513	2.6
124.01676	1.3
124.19569	0.8
125.02398	0.7
126.04433	0.8
134.06129	1.4
139.00371	0.8
143.03378	0.8
148.04042	54.9
149.04387	2.6
149.06067	0.9
150.03224	1.9
150.05591	2.7
151.00412	0.7
151.03996	5.1
152.01181	5.0
152.04814	1.2
153.01505	4.0
160.04016	2.3
161.04529	1.6
162.05582	1.4
163.04007	1.2
165.05576	0.8
166.05086	100.0
167.03484	1.2
167.05461	6.0
168.04050	0.8
169.05019	0.8
176.03493	1.8
178.02722	9.6
178.99867	1.5
180.00195	1.2
180.06656	1.1
184.80609	0.7
188.03415	1.2
190.04897	0.8
191.05467	1.0
193.05031	22.5
206.04588	10.2
208.00078	3.8
209.00397	4.4
210.04070	88.0
211.04366	4.9
211.06187	1.6
224.05644	21.4
252.05118	30.8
253.05521	2.6
282.06229	3.5
312.07257	2.7
313.09210	0.9
372.06177	10.3
372.10449	0.7
373.07321	2.9
373.11407	2.3
373.92255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48020	2.0
59.01371	13.2
61.98831	100.0
69.80824	3.9
69.81211	6.4
71.01389	2.4
83.01380	31.0
85.02954	3.3
109.80804	2.0
117.80392	2.5
121.02955	15.4
136.05286	6.6
151.02759	13.7
153.86986	2.0
161.02480	2.0
168.04300	5.0
179.03491	3.0
183.01721	6.6
209.02994	4.3
220.09706	2.2
257.43607	2.1
308.15018	85.8
309.15457	6.9
329.19949	3.1
336.42566	2.1
356.12769	3.7
371.11163	5.3
371.15051	18.3
372.15720	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	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74826	0.9
54.36985	0.9
57.03443	2.7
59.01377	100.0
60.01714	1.3
61.98830	4.9
64.68513	0.9
69.57809	4.3
69.58216	1.8
71.01381	5.3
71.17638	1.0
72.99304	1.9
73.02943	1.5
81.03451	3.6
83.01376	13.6
85.02946	14.7
87.00872	2.5
89.02436	1.9
93.03442	6.9
95.05048	2.5
97.02944	1.7
98.19952	2.0
99.04494	2.5
101.02434	1.7
108.81297	1.0
109.02950	2.1
110.48322	1.0
111.00890	1.6
111.04552	1.8
113.02476	1.9
118.98053	1.3
121.02951	6.7
123.04508	3.5
125.02451	9.3
129.01965	1.7
130.04234	8.0
131.05023	47.0
132.05383	2.3
134.03702	1.9
135.04538	2.0
136.05202	3.0
137.02417	2.3
137.06107	1.9
147.03093	1.0
148.03999	2.9
149.06076	91.1
150.06479	4.6
152.01117	1.3
152.04724	1.3
153.05556	1.6
154.08736	1.1
163.03983	1.5
165.05525	1.8
166.05086	3.4
167.03485	30.5
168.04207	1.6
173.04527	4.0
179.03455	4.2
180.03964	1.3
191.01947	4.2
191.05620	19.0
192.05922	1.1
193.05014	3.0
197.04564	7.5
208.00156	1.4
209.02863	11.5
209.04710	8.3
210.04108	2.9
233.04466	1.8
237.12354	3.0
251.05580	4.7
252.05515	1.9
255.12355	2.2
276.96857	1.0
281.06604	2.2
287.07678	2.4
308.08612	1.3
330.11908	1.0
356.12537	1.7
371.05930	1.7
371.09781	8.8
371.14548	3.9
371.22769	2.3
393.25760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54120	0.2
53.58878	0.2
54.32875	0.3
55.97305	0.2
57.03451	0.4
59.01378	100.0
59.76826	0.2
60.01715	1.0
70.34293	0.6
70.34647	0.5
71.01378	0.5
71.05033	0.6
73.02943	0.7
83.01398	1.2
85.02938	1.8
89.02407	0.6
93.03496	0.4
96.96018	1.3
98.20506	0.3
99.04533	0.5
101.02457	0.4
111.00911	0.7
119.82214	0.2
121.02962	0.4
129.01950	0.8
130.08801	0.7
136.05330	0.4
149.04555	1.5
151.11296	1.0
152.01244	0.3
161.44804	0.3
164.70656	0.3
167.03490	3.4
170.16681	0.3
180.10333	0.3
191.05544	0.3
195.10269	0.6
205.03584	0.6
223.04553	1.5
227.47418	0.2
239.09248	2.0
354.20688	0.4
371.09958	0.5
371.14044	0.8
372.21573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43584	0.4
55.01887	0.5
57.03467	0.7
59.01377	100.0
60.01719	1.0
61.98825	1.7
70.28499	1.6
71.01388	4.5
71.05062	0.7
72.99281	0.5
73.02946	2.8
79.05523	0.6
83.01396	2.9
85.02947	1.8
88.50542	0.5
89.02457	1.4
90.63753	0.5
93.03479	0.7
98.31464	0.5
99.00887	1.0
99.04581	0.6
101.02417	3.8
113.02451	1.4
113.75342	0.5
121.02959	0.9
127.94588	0.6
130.08737	1.2
132.03046	0.9
133.21686	0.5
135.04637	0.5
149.04597	2.4
149.06015	0.6
151.11331	1.7
159.03040	0.6
161.04573	2.9
165.39012	0.6
167.03557	1.4
180.10287	0.6
191.05650	0.8
195.10306	0.9
213.39413	0.6
239.09233	2.6
297.03983	1.1
371.07391	1.4
371.17151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35016	0.3
56.74025	0.3
57.03459	0.4
59.01388	2.0
61.98830	100.0
67.01892	0.7
69.69327	1.7
69.86042	0.3
71.01391	0.9
72.99305	0.5
73.02953	0.5
80.55781	0.3
81.03442	0.4
82.61732	0.3
83.01382	1.6
85.02958	2.2
87.00871	2.9
93.03455	3.8
96.00937	0.7
99.04495	0.4
102.04315	0.3
104.03553	0.7
109.02954	0.4
111.04560	0.6
114.05596	0.6
121.02962	1.2
123.00836	0.4
129.01920	0.4
135.04535	2.8
136.01642	0.4
137.02460	0.4
149.06105	0.4
150.74345	0.3
151.03941	0.6
153.05586	0.7
159.11391	0.3
159.18379	0.3
163.04071	0.6
166.05066	0.4
167.03522	1.0
168.04311	0.3
173.04565	4.5
179.03549	0.5
191.02010	0.4
191.05605	12.1
192.05984	0.6
197.04652	0.7
209.02989	1.7
212.06917	0.5
234.88240	0.3
235.05945	0.4
278.48737	0.3
310.28363	0.3
358.30847	0.3
371.09872	4.5
371.14893	0.8
372.09903	0.9
391.41824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.1
70.69298	1.0
70.69634	1.2
71.01379	2.3
73.02944	1.0
85.02953	8.5
87.00864	3.9
89.02444	1.7
93.03457	4.5
98.85331	0.7
101.02402	1.4
109.02963	0.8
111.04526	1.3
121.02858	0.8
126.74218	0.8
127.03977	1.7
135.04501	2.7
137.02475	1.7
141.14861	0.7
149.04565	2.5
173.04536	3.1
191.05605	100.0
192.05997	5.1
197.04626	0.8
204.66783	0.7
211.32143	0.7
211.66177	0.8
335.10019	1.0
335.13675	1.6
371.06891	1.4
371.09906	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	371.1135
Annotation	Glycosmisic Acid
Peak:m/z	Relative Intensity
51.50583	0.7
56.91209	0.6
57.03437	0.6
59.01376	7.5
61.98820	1.0
67.01889	0.9
68.99798	1.2
69.23643	2.9
69.24066	3.7
69.55111	0.8
71.01392	1.8
71.97874	0.7
74.02487	0.9
81.03458	1.6
83.01398	11.3
85.02953	1.3
93.03467	1.8
95.01394	1.0
105.03454	1.1
107.05023	1.7
108.02190	7.6
109.02973	5.3
111.00889	2.1
117.03478	0.7
119.05019	1.2
121.02972	5.7
122.03742	1.2
123.00879	4.7
123.04501	3.0
124.01656	4.0
125.02465	0.9
131.05038	0.9
133.02934	2.3
133.06647	0.8
134.03743	2.5
135.00774	0.8
135.04535	3.2
136.01660	1.3
136.05284	3.1
137.02426	2.9
143.05031	0.8
145.02972	2.1
147.04463	1.4
149.02466	3.4
149.06099	1.3
151.00499	0.9
151.04030	1.5
152.01141	2.6
159.04478	0.8
161.02391	1.7
161.06111	0.7
162.03210	9.3
163.04039	17.6
163.05399	0.8
164.04387	1.1
165.01967	3.1
167.10779	8.0
168.04271	1.2
169.71046	0.8
175.03969	2.6
176.04794	0.8
177.01936	4.0
177.05562	2.3
178.02602	1.3
179.03481	1.3
187.04041	1.1
188.04637	1.1
191.03488	1.2
205.05023	2.0
325.07166	2.3
328.09354	0.8
355.08133	1.4
356.09012	49.9
357.09430	5.7
371.11319	100.0
372.11688	12.5
372.16000	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70225	0.7
57.03442	2.6
59.01380	100.0
60.01714	1.2
61.98828	2.6
65.00346	0.8
71.01379	5.8
71.54752	0.7
71.55141	1.1
72.99328	2.3
73.02942	3.5
75.00871	24.6
81.03453	3.6
81.25676	0.9
83.01385	5.6
85.02959	9.0
87.00883	1.9
89.02461	2.6
91.05537	1.2
93.03463	2.4
95.05012	1.2
97.02976	0.8
99.00893	2.4
101.02423	2.1
104.16085	0.7
111.00903	1.4
113.02464	1.2
117.03431	1.1
119.05079	1.1
121.02964	11.2
123.04533	22.8
124.04935	0.8
125.02450	5.7
129.01932	7.9
130.08723	3.5
131.58057	0.9
132.02237	1.1
134.03735	2.3
135.04541	1.6
136.05283	1.2
137.02457	2.3
147.03021	11.6
147.04448	5.9
149.02435	58.1
150.02808	2.4
151.00372	1.4
151.04018	1.7
152.01129	1.1
161.02495	0.8
161.04507	1.5
163.04018	1.7
164.04791	42.4
165.04031	45.6
165.05104	2.2
166.04350	1.4
167.03493	71.2
168.03825	2.6
177.04134	1.3
179.05592	1.0
179.07127	2.1
191.01895	1.2
191.03473	1.2
191.05508	1.4
191.99066	1.0
193.05167	1.1
195.05122	1.5
208.03743	1.4
209.03004	2.2
209.04750	1.1
209.08026	0.9
223.06119	62.7
224.06474	3.6
239.09225	2.0
239.34830	0.8
256.77823	0.9
319.58844	0.9
324.18222	0.8
356.12225	1.1
371.09821	11.5
371.13916	1.1
371.17819	0.9
372.15527	0.9
372.20432	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27731	0.4
54.13712	0.5
54.89845	0.5
57.03454	0.8
59.01369	1.8
60.99303	2.0
67.01887	4.9
69.03452	1.6
69.86864	0.4
69.87151	1.1
69.87553	1.3
71.01379	2.0
81.03461	1.6
83.01402	0.9
83.05014	1.6
85.02949	6.8
87.00874	7.5
88.29390	0.5
93.03458	32.0
94.03782	0.7
99.00878	1.1
106.00589	0.7
109.02959	1.3
111.04531	5.1
121.02969	9.8
123.04516	3.3
127.04027	1.6
129.01962	1.5
129.63937	0.5
137.02348	0.5
139.04007	0.9
150.67184	0.5
153.05582	8.2
155.03474	1.3
164.04785	1.1
167.03511	1.7
173.04552	17.9
174.04919	0.8
191.05614	100.0
192.05972	4.4
193.05034	0.5
193.07596	0.5
197.04556	8.3
209.04575	2.8
223.06091	1.0
251.05606	5.2
260.54520	0.5
281.06656	3.3
287.16489	0.5
307.68146	0.5
327.76624	0.5
371.09821	14.9
372.10199	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
56.74667	0.3
57.03448	0.8
59.01380	36.6
60.01706	0.6
61.98835	1.7
62.86975	0.3
69.03457	14.3
69.30127	2.3
69.30525	0.8
71.01389	1.5
71.13239	0.3
73.02946	1.4
79.01889	11.3
80.02235	0.5
81.03479	0.8
81.52245	0.3
83.01395	2.3
85.02953	2.9
89.02457	0.8
91.01862	0.4
93.03468	1.9
95.01389	3.2
97.02955	8.2
101.02480	0.9
102.98594	0.9
107.01392	26.9
107.05046	1.8
108.01628	0.5
108.02272	0.6
110.83021	0.4
111.00861	0.5
113.02453	1.0
114.24475	0.3
121.02959	1.7
122.03701	0.5
123.00883	4.7
123.04559	1.5
125.02453	14.5
126.02792	0.7
129.01952	0.5
130.08746	2.1
130.59821	0.3
131.09116	0.5
133.03021	0.6
134.03737	0.3
135.00890	32.0
135.04485	0.6
136.01331	1.1
136.05307	0.7
137.02463	3.8
149.02451	1.3
149.04552	1.2
150.03238	0.4
151.00378	17.5
151.11320	0.7
152.00772	0.6
153.01892	0.8
161.02493	0.7
163.04027	1.7
164.08461	0.4
165.01932	0.7
165.08873	0.5
166.02722	100.0
167.03499	51.8
168.03943	2.2
173.47401	0.3
177.01947	3.5
179.03470	0.5
185.11812	0.3
186.77019	0.3
191.03531	1.2
191.05681	0.6
193.01454	0.8
195.03023	1.7
195.10329	0.4
209.03040	0.6
209.04597	4.5
219.02972	0.3
221.04570	0.7
237.11359	0.4
258.13507	0.5
299.07693	1.9
300.14639	0.3
311.07825	1.0
329.15802	0.8
335.17188	1.4
339.07135	1.0
371.09848	10.5
371.14102	0.8
372.10117	1.2
372.20343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36259	0.2
59.01110	0.3
59.01381	3.0
60.85931	0.2
67.01882	0.4
71.01380	0.6
71.05020	1.8
71.54856	0.4
73.02944	0.8
79.35274	0.2
81.03455	0.3
83.01406	1.1
83.05015	0.8
85.02938	0.3
89.02452	1.1
95.01391	0.7
95.05019	0.7
96.95999	4.7
99.04539	1.2
102.26540	0.2
107.01374	0.5
108.02139	1.2
111.00887	2.0
123.00869	1.0
124.01655	2.0
129.68146	0.2
135.37856	0.2
139.00381	0.5
139.85133	0.2
149.04561	5.0
151.00330	0.4
151.11275	4.0
152.01151	8.4
152.11591	0.2
153.01462	0.3
166.02657	0.7
167.03491	100.0
168.03842	5.2
180.98137	0.4
195.10289	1.4
196.10349	0.2
236.22989	0.2
239.09196	0.8
241.00211	0.6
243.17157	0.5
325.67334	0.3
329.08792	0.3
371.09940	10.0
371.13956	0.7
371.21606	1.4
372.10312	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92139	0.3
59.01378	12.5
61.82742	0.3
66.37871	0.3
70.68701	1.0
71.01399	1.0
71.05026	2.0
73.02952	1.3
79.95759	0.4
80.48064	0.3
83.01389	1.1
85.02934	0.6
89.02453	1.3
95.01392	0.5
95.05029	1.0
96.96010	11.1
99.04502	1.6
105.01935	0.6
107.01420	0.4
108.02188	1.1
109.51594	0.4
111.00885	2.0
119.94537	0.3
121.06599	0.5
123.00870	1.1
124.01640	1.8
133.10324	0.3
139.00337	0.5
149.04556	5.8
151.11288	4.7
152.01151	6.8
152.11555	0.5
160.56827	0.3
166.02644	0.9
167.03491	100.0
168.03819	5.7
177.07867	0.4
177.09201	0.4
182.92111	0.4
183.40747	0.4
195.10269	1.6
239.09203	1.1
241.00157	0.8
318.73053	0.4
371.09961	14.6
371.13962	0.8
372.10272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34106	0.7
54.51708	1.0
55.01868	2.0
55.21280	0.8
57.03448	5.0
58.00576	0.8
59.01379	28.3
61.98820	1.5
63.17750	0.9
67.01894	1.6
68.99812	2.7
69.03443	2.5
71.01380	21.3
71.54039	1.4
72.23150	0.9
72.99319	6.1
73.02938	3.1
74.02474	1.5
75.00871	22.0
81.03453	1.2
83.01396	7.1
85.02953	24.2
87.00863	7.7
89.02445	6.7
93.03442	4.6
95.01404	5.1
99.00883	10.6
101.02428	2.8
101.92516	0.8
103.00365	2.1
108.34731	0.9
109.02896	1.1
111.00872	2.7
113.02451	26.4
115.00338	2.3
115.03941	1.1
117.01924	3.3
121.02956	100.0
122.03262	4.7
123.04505	3.4
125.02448	1.3
129.01976	5.2
130.08717	5.1
131.03508	0.9
135.36108	0.8
137.02443	1.7
149.04555	2.0
149.05936	0.8
151.11240	1.1
153.00195	1.2
157.01445	1.1
165.09169	1.2
167.03485	12.9
173.04666	1.0
175.02490	3.5
189.04044	1.2
191.10825	1.4
195.01237	1.3
199.18150	1.1
205.03572	2.2
223.04536	3.0
231.05075	6.8
239.09155	1.2
239.12813	1.9
249.06143	66.9
250.06396	4.3
353.08746	2.4
371.09787	56.1
371.22977	3.8
372.10083	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	371.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09286	0.6
59.01372	2.7
67.01881	1.3
69.03420	0.7
71.01398	1.5
71.53212	0.5
75.00871	1.0
76.02156	0.5
81.03442	0.6
83.01393	1.0
85.02952	12.0
87.00880	3.0
93.03461	6.5
103.20220	0.6
105.83366	0.5
111.04526	1.4
113.02469	0.6
121.02937	2.2
127.03994	1.6
133.01422	0.8
134.03723	0.5
143.18144	0.5
153.05559	0.8
167.03505	2.1
168.80269	0.5
171.03087	0.6
173.04497	3.8
179.05585	1.9
191.05603	100.0
192.05925	5.5
197.04520	1.4
209.02979	3.4
371.10114	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	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
56.74667	0.3
57.03448	0.8
59.01380	36.6
60.01706	0.6
61.98835	1.7
62.86975	0.3
69.03457	14.3
69.30127	2.3
69.30525	0.8
71.01389	1.5
71.13239	0.3
73.02946	1.4
79.01889	11.3
80.02235	0.5
81.03479	0.8
81.52245	0.3
83.01395	2.3
85.02953	2.9
89.02457	0.8
91.01862	0.4
93.03468	1.9
95.01389	3.2
97.02955	8.2
101.02480	0.9
102.98594	0.9
107.01392	26.9
107.05046	1.8
108.01628	0.5
108.02272	0.6
110.83021	0.4
111.00861	0.5
113.02453	1.0
114.24475	0.3
121.02959	1.7
122.03701	0.5
123.00883	4.7
123.04559	1.5
125.02453	14.5
126.02792	0.7
129.01952	0.5
130.08746	2.1
130.59821	0.3
131.09116	0.5
133.03021	0.6
134.03737	0.3
135.00890	32.0
135.04485	0.6
136.01331	1.1
136.05307	0.7
137.02463	3.8
149.02451	1.3
149.04552	1.2
150.03238	0.4
151.00378	17.5
151.11320	0.7
152.00772	0.6
153.01892	0.8
161.02493	0.7
163.04027	1.7
164.08461	0.4
165.01932	0.7
165.08873	0.5
166.02722	100.0
167.03499	51.8
168.03943	2.2
173.47401	0.3
177.01947	3.5
179.03470	0.5
185.11812	0.3
186.77019	0.3
191.03531	1.2
191.05681	0.6
193.01454	0.8
195.03023	1.7
195.10329	0.4
209.03040	0.6
209.04597	4.5
219.02972	0.3
221.04570	0.7
237.11359	0.4
258.13507	0.5
299.07693	1.9
300.14639	0.3
311.07825	1.0
329.15802	0.8
335.17188	1.4
339.07135	1.0
371.09848	10.5
371.14102	0.8
372.10117	1.2
372.20343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18311	1.1
59.01367	6.9
61.98829	100.0
71.54537	1.5
83.01385	8.3
89.89708	1.0
91.01952	1.1
93.03472	1.3
98.26433	0.9
100.00394	1.9
109.02953	1.0
121.02947	4.4
128.01584	0.9
133.02898	1.3
135.04491	1.7
136.01643	1.3
136.05269	2.9
137.02460	2.4
159.04399	1.7
168.04297	1.3
176.04805	1.2
177.01947	1.9
177.05415	1.3
179.03479	1.4
370.10144	3.9
371.11206	17.9
371.15134	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	371.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39674	0.8
57.03443	1.6
59.01376	7.1
61.69810	0.8
61.98830	7.5
65.00333	0.9
66.46600	0.8
67.01877	1.0
69.88241	0.7
70.85585	1.8
71.01378	2.4
72.99301	0.9
83.01386	6.8
85.02952	11.9
87.00877	2.1
93.03462	5.1
95.01376	1.2
96.02151	0.8
96.95979	1.3
109.02892	0.8
111.00854	3.3
111.04527	0.9
119.05021	6.9
121.02974	4.5
123.00874	3.3
124.01665	7.5
125.02482	1.3
136.05301	1.8
137.02396	1.2
139.00369	2.8
141.01933	0.8
147.02956	0.9
148.04044	2.1
151.00368	7.7
152.01149	82.2
153.01605	3.0
153.05551	1.3
163.00375	1.6
165.05626	1.3
166.05128	3.9
167.03503	5.0
167.07076	0.8
172.90192	0.8
173.04518	2.1
177.05577	1.0
177.27919	1.0
178.99863	21.1
179.03438	1.1
180.00446	2.4
191.01933	5.2
191.05605	15.2
192.05876	1.0
193.01416	2.4
197.04562	2.0
207.02968	1.2
208.00122	69.1
209.00754	8.1
209.03011	16.1
209.04848	1.0
210.03981	2.8
223.02434	2.3
224.05579	1.0
251.05786	1.1
264.78918	0.8
324.78333	1.0
371.06140	100.0
372.06390	9.3
372.19043	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.03446	6.5
59.01381	20.9
61.98829	2.2
65.36158	0.6
67.01895	2.6
69.03461	0.8
71.01377	6.9
72.99306	2.7
75.00903	1.5
79.01874	0.6
81.03453	12.0
83.01392	12.3
84.02185	1.6
85.02953	60.1
86.03324	1.5
87.00879	2.0
89.02464	3.5
93.03461	12.2
95.05028	11.7
97.02973	2.8
98.19843	1.4
99.00877	0.9
99.04514	4.0
101.02441	2.4
108.02149	1.4
109.02924	0.9
111.00891	2.2
111.04514	1.4
113.02453	1.6
117.03448	0.6
119.03496	1.5
121.02976	9.6
121.06609	2.1
122.03756	2.6
123.00896	1.0
123.04530	36.7
124.04845	1.6
125.02450	15.0
125.99569	0.7
126.02724	0.7
129.01930	5.0
131.05040	2.3
132.25742	0.6
134.03712	5.1
135.04556	0.8
136.05214	0.8
137.02481	2.8
137.06090	14.5
138.03180	0.7
139.00371	0.9
139.04013	3.2
141.05652	1.0
142.73090	0.5
145.06512	1.0
145.09857	1.0
147.03009	19.7
147.04387	1.1
147.08200	1.9
149.02475	3.8
149.06075	4.8
150.05583	3.1
151.04051	0.7
153.05592	5.0
161.04538	1.5
163.04028	2.2
164.04855	1.7
165.01933	1.6
165.04187	1.3
165.05576	26.1
166.05968	1.6
167.03510	31.2
168.03908	2.2
171.91679	0.7
173.00885	0.9
173.04570	8.7
175.00348	0.8
179.03517	4.6
180.04250	2.4
181.05049	2.5
187.04025	0.8
189.01944	0.8
191.01993	1.2
191.03560	6.1
191.05629	25.3
191.07124	1.2
192.05934	1.3
193.01456	0.9
193.05028	6.0
197.04568	8.4
205.05064	2.8
207.02974	1.3
208.03767	1.4
209.04564	100.0
210.04926	7.1
223.06091	3.9
233.04546	20.9
234.04927	1.9
251.05678	7.4
263.05643	1.7
265.07193	2.5
275.05515	1.0
281.06744	1.6
311.07504	0.8
327.07166	11.2
353.05008	0.7
371.09802	37.9
371.13742	3.0
372.10254	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	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38135	1.0
53.55013	1.0
59.01381	6.0
61.98831	100.0
70.63430	0.9
71.54453	1.4
71.54826	1.1
80.02686	2.3
83.01398	7.7
94.59399	1.0
107.01377	3.2
108.02164	8.5
109.02428	2.1
109.03036	1.6
112.41975	1.1
121.02957	5.3
123.00854	1.8
133.95201	1.2
135.04541	1.5
136.01668	9.6
136.05269	1.9
137.02060	3.4
137.54527	0.9
140.67651	1.1
145.81624	1.2
159.04486	1.2
164.01147	12.3
165.01448	7.1
177.01888	1.2
187.04065	1.6
196.00127	9.6
197.00508	7.0
200.04382	1.2
259.68054	1.2
275.55106	1.0
286.03915	1.2
300.06470	6.4
301.06735	15.4
370.13773	4.9
371.11310	12.0
371.15097	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	370.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53672	0.6
59.01373	4.7
61.62157	0.8
61.98831	100.0
70.48121	0.7
75.70860	0.7
82.75584	0.7
83.01398	4.7
84.02182	0.8
108.02182	2.1
121.02939	7.0
123.00886	1.0
135.04483	0.9
136.01688	1.9
136.05336	1.1
137.02405	2.1
159.04494	0.8
168.04256	1.5
190.06189	1.0
219.06522	1.3
220.06990	1.7
312.09784	0.8
340.09531	0.8
341.10193	1.4
342.10852	0.9
370.10059	15.5
371.11176	3.2
371.15201	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	369.22
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17869	23.7
61.98833	81.4
67.01922	25.2
69.86859	27.5
70.20444	49.9
70.20850	100.0
76.96945	26.9
77.97131	25.7
106.12980	27.7
149.09795	36.7
198.00026	27.4
265.60828	26.3
311.16721	49.4
369.26910	55.2
370.29581	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78673	0.4
53.02621	0.5
55.01881	1.0
57.03446	1.2
58.00576	0.5
59.01385	31.2
59.26280	0.4
61.98817	1.5
62.43009	0.5
64.79877	0.6
71.01383	8.1
71.04999	0.8
73.02957	2.7
77.09021	0.5
83.01390	2.8
85.02955	9.7
87.04507	0.6
89.02440	1.7
93.03449	0.5
95.01381	0.9
97.02940	1.6
101.02462	5.6
104.78226	0.5
109.02954	2.9
111.00906	0.8
111.04520	1.3
112.01672	0.6
113.02455	3.5
113.06090	2.8
119.05026	0.9
121.02984	0.7
121.06584	0.8
122.03774	4.9
123.04548	0.6
123.08208	0.7
125.02460	1.0
125.09713	1.6
127.04008	0.9
130.08765	5.9
133.02960	0.6
134.03741	3.0
135.04507	1.4
135.08154	1.6
136.01665	2.9
136.05316	0.9
137.02591	0.5
137.06056	3.7
140.73669	0.5
141.09219	2.1
147.08145	1.4
148.05321	0.9
149.06084	30.9
150.06851	3.2
151.04140	0.5
151.07661	9.6
152.08023	0.7
153.09192	0.5
154.02766	0.9
161.02530	0.6
161.04657	2.2
161.05968	0.5
163.07629	1.9
164.04829	3.0
164.08432	100.0
165.09215	84.9
166.09520	4.8
167.07213	0.5
169.08630	2.2
175.04085	0.5
177.01903	0.8
179.03616	0.7
179.07140	12.8
180.07410	0.5
191.05647	0.5
203.05557	0.5
207.10258	1.5
223.06126	0.9
309.13458	21.4
310.13770	2.2
326.19669	0.9
327.14496	13.1
328.14914	1.4
369.15585	1.6
370.18723	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	369.134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92056	0.7
61.98824	15.4
63.02385	1.8
65.00314	1.6
69.57629	5.1
80.02673	12.6
95.01392	0.9
107.01385	19.2
108.02171	59.0
109.02497	1.3
109.06423	0.8
116.31755	0.7
121.02913	1.8
123.00877	4.8
124.01649	2.7
134.85040	0.7
135.04486	1.4
136.01656	50.8
137.01996	2.0
151.00336	2.0
152.01149	1.4
164.01149	92.9
165.01482	5.4
177.01920	1.3
187.10944	0.9
196.00121	66.8
197.00436	3.4
199.03925	2.6
209.88596	0.8
228.92883	0.7
231.12260	0.8
250.71135	0.8
257.04514	1.8
285.04050	5.6
300.06375	100.0
301.06732	9.9
303.93814	0.8
307.38013	0.8
354.98306	0.8
369.13397	34.7
369.16977	1.3
370.13708	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	369.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
55.38533	0.5
56.09121	0.6
57.03442	1.7
58.00580	0.8
59.01381	30.7
61.98817	0.8
64.28780	0.5
67.01905	0.6
69.03452	0.7
71.01381	9.1
71.54802	0.6
72.99299	1.5
73.02937	3.3
83.01391	3.7
85.02464	0.7
85.02956	11.6
86.03300	0.8
87.00856	1.0
87.04498	0.8
89.02455	0.8
90.47996	0.5
91.03471	0.6
93.03448	0.8
95.01390	2.0
95.05009	0.8
99.00887	2.1
101.02441	6.8
106.04225	1.6
109.02970	2.9
111.00854	0.9
111.04522	1.9
112.01666	0.9
113.02457	4.4
113.06101	2.1
114.11208	0.5
121.06652	0.7
122.03732	6.0
125.02464	1.3
125.06065	0.6
125.09745	0.9
130.08739	10.5
131.03494	0.8
133.02956	1.6
134.03737	7.0
135.04474	2.1
135.08151	1.2
136.01657	1.6
136.05280	0.7
137.02454	0.6
137.06078	1.0
141.09236	1.3
149.06078	31.9
150.06541	1.9
151.03737	0.5
151.07652	6.4
154.02635	0.8
157.05028	0.8
161.04564	1.7
161.06058	0.7
163.07623	1.2
164.04791	2.5
164.08420	100.0
165.05559	11.5
165.09204	53.2
166.09532	3.5
169.08728	1.0
173.04550	0.6
175.03847	0.7
175.06134	2.4
177.01949	0.7
179.03476	1.2
179.07127	7.7
180.07472	0.6
181.81110	0.6
191.10750	1.0
193.05080	3.0
193.07156	3.9
207.10316	1.7
221.11929	0.8
250.45985	0.6
309.13422	31.9
310.13791	3.4
314.79782	0.6
326.19684	2.0
327.14468	25.3
328.14874	1.9
369.11664	2.3
369.15707	2.6
370.18668	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59704	0.4
54.69379	0.4
59.01381	3.6
61.98819	2.3
67.01878	0.6
67.94592	0.3
68.99819	0.9
69.03461	5.0
71.54180	0.5
81.03455	0.9
85.15243	0.4
91.01900	0.4
91.05539	0.5
93.03466	3.7
95.01366	0.7
95.05018	0.4
107.04998	1.3
108.02174	15.0
109.02982	2.6
117.03445	0.9
119.05019	1.6
121.02956	15.8
121.06593	0.5
122.03730	1.5
123.00879	0.9
123.03899	0.4
123.04536	4.0
130.04221	0.4
131.05048	0.7
133.06564	0.6
134.03711	1.2
135.04529	3.4
136.01662	25.7
137.02480	5.2
143.05028	1.6
145.02975	1.4
145.06619	0.6
146.03709	1.0
147.04524	3.1
149.02423	1.3
150.03151	0.9
158.03783	0.6
159.04552	1.8
160.05272	1.2
161.06090	1.5
162.03151	0.5
162.40237	0.4
163.03992	1.8
164.04799	0.4
171.04498	0.6
173.06107	0.9
175.04001	2.6
176.04781	7.6
177.05240	0.4
189.05542	0.9
191.07118	0.6
204.04089	0.5
204.56299	0.4
225.05350	0.3
281.08243	0.7
293.08148	0.7
299.09348	0.9
311.09348	0.6
323.09531	0.4
340.09521	5.2
341.10242	7.1
342.10617	1.0
367.08206	0.9
369.09772	100.0
370.10123	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	369.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.8
61.98825	4.8
69.03453	1.7
69.57570	1.1
70.66101	1.5
70.66448	3.0
75.95986	1.1
83.03555	1.1
84.02157	2.8
85.02935	1.6
91.01887	2.9
93.03458	4.1
105.78923	1.2
108.02175	26.4
109.02982	9.2
119.05024	4.2
121.02959	18.6
131.05008	2.7
133.02887	2.2
133.06592	3.0
135.00964	2.0
135.04561	2.6
136.01666	13.0
137.02463	8.4
143.05022	2.2
145.03000	2.1
147.04538	4.7
148.05232	1.3
150.03142	1.8
159.04515	4.3
160.05304	2.9
161.02422	1.8
161.06075	6.2
162.03145	3.7
163.03963	2.2
163.07646	3.8
165.01935	15.4
175.03987	2.8
176.04762	2.2
189.05606	7.8
190.06396	2.9
191.03458	2.9
191.07126	3.4
204.04253	1.9
219.06596	5.7
225.92743	1.6
262.59549	1.1
281.08224	1.5
311.09265	4.1
339.08664	5.9
340.09497	14.7
341.10162	5.6
369.09781	100.0
369.17178	2.5
370.10037	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	369.0976
Annotation	Gancaonin P
Peak:m/z	Relative Intensity
59.01378	2.4
61.98813	2.0
64.65202	0.8
66.01714	0.8
68.33004	0.8
68.99844	1.0
69.03111	0.9
69.03451	4.8
69.68520	0.7
71.54837	1.0
74.10504	0.8
75.09048	0.8
77.78093	0.8
79.03646	0.8
82.17049	0.8
83.01357	0.9
92.56313	0.8
93.03451	3.5
95.79624	0.8
96.95982	1.5
99.60396	0.8
107.05006	1.7
108.02166	15.3
109.02966	4.4
119.05020	2.3
121.02957	22.2
121.06582	1.9
122.03744	1.2
123.04504	5.1
133.06540	1.0
135.04509	4.1
136.01659	22.6
137.02478	4.8
143.05011	1.3
145.02907	2.3
145.06625	0.9
146.03755	0.9
147.04495	2.6
149.02397	1.4
149.06062	1.1
159.04562	1.1
160.05324	1.1
161.06050	1.5
163.03957	1.9
171.04515	1.4
173.06039	1.9
175.03999	2.7
176.04755	7.1
189.05634	1.7
281.08081	0.9
293.08368	0.8
340.09482	4.7
341.10257	6.6
369.09756	100.0
370.10043	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	369.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07394	0.5
61.98830	1.1
65.00330	0.6
65.03967	1.0
67.01897	0.8
68.99812	0.7
69.03456	2.0
83.01377	0.7
84.02169	16.6
85.02489	0.7
91.01894	1.7
91.05533	0.8
93.03455	4.3
95.01378	1.0
97.02943	1.4
99.56940	0.4
103.05546	1.9
106.04298	0.5
107.01376	0.5
107.05055	2.2
108.02174	25.9
109.02360	0.6
109.02979	8.1
117.03481	1.0
117.07092	1.0
119.05009	4.1
121.02962	24.2
121.06652	0.5
122.03815	2.3
123.00893	0.6
123.04556	1.0
130.04247	1.3
131.05045	3.6
133.02931	2.2
133.06593	4.2
134.03780	2.4
135.00885	0.8
135.04533	3.0
136.01666	13.3
137.02461	7.6
143.05067	3.1
145.02959	3.2
145.06558	0.7
146.03743	1.3
147.04532	5.5
147.08130	1.1
148.05267	1.9
149.02437	1.4
150.03233	4.1
151.03979	0.9
158.03726	1.4
159.04526	8.0
160.05299	2.9
161.02448	1.4
161.06088	8.8
162.03224	3.3
162.06876	3.3
163.03981	4.2
163.07628	5.1
165.01936	8.4
171.04529	2.9
172.05220	1.1
173.06067	2.0
174.03172	1.1
175.04004	6.3
176.04784	3.2
177.05531	1.3
178.02690	1.0
182.02248	2.4
187.04013	1.4
188.04776	1.1
189.05573	10.0
190.06342	5.5
191.03528	5.0
191.05055	0.7
191.05353	0.6
191.07146	6.5
193.05038	1.9
201.05525	2.3
202.91095	0.5
203.64317	0.5
204.04259	4.5
218.05800	0.8
219.06607	19.4
219.08751	0.9
220.06955	1.2
234.05373	0.9
235.07672	0.6
265.08600	0.9
281.08240	0.9
282.09152	1.0
283.09738	3.0
284.10046	0.7
293.08072	0.7
295.09756	0.6
310.08188	0.8
311.09225	6.5
312.09564	1.1
323.09302	1.4
339.08716	8.3
340.09491	12.2
341.10059	3.7
351.08609	2.1
369.09775	100.0
370.10107	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	369.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37352	0.4
59.01372	1.4
61.98821	1.3
64.06359	0.4
65.03967	0.7
68.99822	1.2
69.03447	1.4
69.21933	1.3
69.22348	3.2
75.19275	0.5
83.01395	0.9
84.02169	15.3
85.02932	1.0
91.01888	2.2
93.03461	4.1
95.01363	1.4
97.02962	0.7
103.05537	1.5
107.05003	1.4
108.02174	24.3
109.02978	6.1
109.19718	0.5
117.03435	0.8
119.05048	4.3
121.02956	22.1
122.03843	2.4
123.00881	1.4
123.04528	0.7
125.02465	0.7
130.04175	0.9
131.05051	2.8
132.05844	0.5
133.02957	1.9
133.06589	4.6
134.03719	1.4
135.00853	0.9
135.04549	2.8
136.01660	13.8
137.02449	6.1
143.05037	3.3
145.02968	2.1
145.06602	1.0
146.03712	1.1
147.04538	6.0
147.08116	1.4
148.05215	1.6
149.02420	0.9
149.06015	0.8
150.03241	3.4
158.03741	0.8
159.04517	7.3
160.05341	2.4
161.02440	1.7
161.06082	9.1
162.03252	2.6
162.06830	2.2
163.04033	4.2
163.07675	5.0
165.01909	6.7
171.04491	2.4
172.05266	0.7
173.06068	2.4
174.03180	0.9
175.04001	6.4
175.07651	0.9
176.04805	2.9
177.01924	0.7
177.05470	0.9
178.02719	0.8
179.03371	0.7
182.02219	2.4
185.88664	0.6
187.04022	2.1
188.04744	0.9
189.05566	8.2
190.06361	5.0
191.03494	4.7
191.07132	6.7
193.05042	1.7
201.05582	1.7
203.53151	0.5
204.04268	4.5
216.04192	0.9
217.20537	0.5
219.06593	18.5
220.06993	0.8
231.06682	0.6
234.05295	1.1
265.08688	0.7
281.08289	1.0
282.08881	1.3
283.09766	2.3
293.08258	0.9
295.09677	0.7
310.08359	1.0
311.09283	6.2
323.09180	0.7
339.08740	6.3
340.09470	11.5
341.10089	3.5
344.41052	0.5
351.08765	1.6
369.09769	100.0
370.10138	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	369.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.3
59.01375	1.0
59.02794	0.3
59.11392	0.4
61.98830	0.5
65.00324	0.5
65.03967	0.8
67.01878	0.6
68.99804	1.2
69.03443	1.4
69.65520	1.9
70.29142	0.3
71.01363	0.6
79.05531	0.5
81.03457	0.7
84.02166	14.9
91.01886	1.9
91.05546	0.7
93.03463	4.3
95.01365	1.1
95.05019	0.4
97.02953	1.3
102.04718	0.4
103.05530	1.6
105.03429	0.6
106.04220	0.6
107.01371	0.7
107.05012	1.0
108.02174	25.6
109.02986	8.1
117.03444	0.9
117.07118	0.6
119.05030	3.1
121.02956	23.5
121.06618	1.0
122.03806	2.4
123.00899	1.1
123.04533	1.3
125.02460	0.4
130.04236	0.6
131.05014	3.5
133.02965	1.8
133.06602	4.6
134.03749	1.9
135.00870	1.1
135.04517	2.7
136.01659	13.6
137.02448	8.9
143.05035	3.1
145.02975	2.6
145.06606	1.4
146.03725	0.9
147.04527	6.6
147.08138	1.0
148.05298	1.3
149.02394	1.9
149.06064	0.6
150.03218	4.2
151.03954	0.5
157.02769	0.3
158.03741	1.3
159.04517	7.0
160.05313	2.4
161.02484	1.7
161.06079	9.2
162.03224	3.3
162.06865	2.5
163.03998	4.9
163.07651	4.8
164.07993	0.4
165.01910	8.5
171.04532	2.7
172.05270	1.1
173.06081	2.4
174.03185	1.1
175.04010	6.3
175.07661	0.6
176.04781	3.1
177.05501	0.8
178.02670	1.1
179.07210	0.6
182.02225	2.1
187.03979	1.4
188.04753	0.7
189.05560	8.4
189.07123	0.7
190.06335	5.0
191.03511	3.4
191.05397	0.5
191.07114	5.9
192.07460	0.6
193.05057	1.5
201.05569	2.2
204.04260	3.7
205.04939	0.5
213.14973	0.8
216.04242	0.6
218.05753	0.4
219.06609	17.8
220.06955	0.8
225.79225	0.4
234.05360	1.0
259.34906	0.4
263.58408	0.5
265.08713	0.5
281.08139	0.9
282.08887	1.1
283.09747	1.6
293.08115	0.8
294.08847	0.5
310.08414	0.7
311.09222	5.3
312.09677	0.5
321.07660	0.5
322.08282	1.0
323.09210	1.4
331.57504	0.4
339.08707	6.4
340.09476	12.3
341.10059	3.9
342.10434	0.5
351.08691	1.1
369.09760	100.0
370.10117	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
51.22232	1.2
52.22311	1.3
54.26931	1.2
55.01875	4.8
57.03452	20.4
59.01389	6.6
61.98838	7.6
67.01895	4.4
69.03417	1.6
70.91298	3.1
71.01390	8.6
72.99309	9.9
73.02949	2.6
75.00868	4.0
81.03461	10.8
83.01386	8.8
84.02171	2.0
85.02955	100.0
86.03292	3.4
87.00866	6.4
93.03468	15.4
94.72514	1.2
99.00883	8.6
101.02441	5.2
109.02925	1.7
111.00171	2.1
111.00884	27.5
111.01647	1.5
111.04527	1.9
113.02413	2.0
119.05043	12.4
123.04516	12.7
125.02458	24.3
129.01945	41.3
129.05121	1.4
131.03497	4.7
133.02968	11.0
134.03680	1.6
135.04552	7.7
143.03499	3.7
145.02977	2.2
151.03975	2.0
161.04520	4.0
162.05527	1.7
163.03998	8.3
163.06007	1.8
165.05583	4.0
173.04549	15.4
177.01920	8.0
179.03467	5.5
187.02470	2.4
190.99855	1.4
191.05615	50.8
191.96919	1.3
192.05919	2.2
195.02946	5.6
205.03534	40.7
206.02185	1.3
206.03929	1.6
207.02933	1.4
215.05595	1.4
223.04585	43.8
223.06801	2.2
224.04852	2.2
251.48299	1.6
266.39828	1.3
307.08160	3.3
351.07422	2.8
369.08145	11.4
370.15063	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	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.3
59.01378	5.0
60.99301	2.1
61.98829	6.5
62.61996	0.9
67.01893	4.6
69.03436	1.0
69.59773	5.5
71.01382	3.8
72.99309	1.2
73.38832	0.8
77.23862	1.1
78.40080	0.9
78.95900	1.0
81.03455	2.6
83.01399	1.5
85.02950	18.9
86.03320	0.9
87.00877	8.2
93.03462	28.3
99.00900	2.3
101.02439	1.3
105.03476	1.1
107.05003	1.3
109.02964	2.2
111.00864	3.4
111.04521	4.5
113.02490	1.6
116.43821	0.8
119.05022	2.1
120.99665	1.1
121.02990	1.0
122.03797	1.3
123.04541	18.4
125.02434	1.7
126.50185	0.9
127.04008	2.2
129.01949	4.8
129.47342	0.9
131.03525	5.3
133.02957	16.6
134.03685	1.0
135.04556	8.9
137.02446	1.4
149.02411	1.8
149.06087	1.0
151.03963	3.3
155.03474	1.1
162.05685	1.3
163.03951	1.9
165.01955	1.2
165.05537	4.3
173.04543	29.3
174.04820	1.4
177.01924	12.8
177.05527	2.5
178.02240	1.2
179.03488	6.4
191.05614	100.0
192.05962	5.3
193.05042	1.4
194.05385	1.6
195.02959	10.1
205.03510	3.5
206.02202	1.5
207.04991	1.9
215.05560	2.4
219.02821	1.2
223.04604	5.8
249.04068	4.9
279.05145	1.5
307.08206	2.5
351.07156	3.6
369.08142	21.4
369.12259	1.6
369.16583	1.5
370.08871	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18054	0.7
58.00585	1.4
58.91401	0.5
59.01381	43.5
66.72255	0.5
67.94862	0.6
67.95227	0.6
70.96334	0.9
71.01384	24.0
72.99306	1.6
82.32669	0.6
83.01384	0.7
83.95206	0.6
84.49152	0.6
85.02942	5.1
87.00883	1.2
89.02444	31.9
90.02838	0.6
95.01409	1.7
101.02450	13.9
102.61079	0.5
113.02451	10.5
116.05096	3.3
119.03498	14.7
131.03513	1.9
143.03502	2.5
144.04553	100.0
145.04971	4.3
146.06116	0.8
149.04558	1.6
150.90245	0.6
161.04576	2.1
162.05673	0.6
179.05640	4.4
188.03526	5.8
191.05672	1.9
194.05507	0.8
250.23790	0.5
288.56940	0.6
368.09869	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	369.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03443	1.4
59.01381	8.3
61.98831	5.2
67.01882	0.5
68.99000	0.5
69.45135	3.4
71.01388	5.7
72.99296	1.5
73.02948	2.7
75.00867	0.6
78.95908	54.3
79.73976	0.4
81.03453	1.7
83.01395	1.2
85.02948	7.7
87.84276	0.6
89.02434	2.4
90.02755	0.5
93.03478	1.1
96.65665	0.5
96.96966	100.0
99.00901	1.3
101.02442	6.0
108.02179	0.5
109.02948	0.5
111.00884	1.2
113.02465	2.6
114.07936	0.4
117.89547	0.5
118.64563	0.5
119.03472	0.9
119.05010	0.7
121.61994	0.5
124.04076	0.7
125.02443	2.7
129.01929	2.1
133.02962	0.8
134.04749	0.8
143.03513	0.8
144.04532	2.1
145.04886	2.0
151.04030	0.9
161.04553	2.9
162.05626	0.6
173.04543	1.4
191.05586	2.9
195.02957	0.6
205.03575	3.8
207.08734	2.1
223.04561	2.9
237.09744	2.8
267.10745	0.9
309.11942	0.6
331.12439	0.6
369.09824	1.0
369.13922	3.9
370.40332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15146	0.6
58.00603	1.5
59.01380	43.1
60.01703	0.9
70.92003	1.6
71.01011	1.2
71.01385	22.9
71.01781	1.2
72.01702	0.7
72.99308	2.8
73.02930	1.0
75.00892	0.7
78.95913	5.0
81.03479	2.1
83.01396	1.3
85.02969	6.6
87.00865	1.9
89.02446	35.8
93.03462	1.3
95.01445	1.1
96.96022	1.7
96.96961	8.5
101.02443	13.6
109.02983	1.9
113.02445	9.2
116.05058	2.8
119.03501	16.8
120.04590	1.1
123.04546	1.0
125.02477	4.2
128.03537	3.8
129.01939	0.8
131.03542	2.2
133.02962	3.2
133.99524	0.8
134.06102	1.2
143.03513	2.2
144.04555	100.0
145.04915	6.2
147.03279	4.9
149.02454	0.8
149.04512	1.9
151.03998	2.3
158.04510	0.8
160.04041	2.4
161.04547	3.1
162.05605	25.2
163.05943	1.5
168.03841	0.9
173.04568	1.4
177.01848	1.5
179.05630	3.9
188.03532	4.8
191.05606	9.0
194.57832	0.8
195.02957	1.1
205.03581	2.5
206.04573	13.9
223.04648	1.6
249.04060	0.9
279.05020	0.9
368.09869	18.0
368.14078	1.5
369.08505	1.6
382.15610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55103	0.5
59.01365	0.5
61.98824	2.2
71.02760	0.5
71.03098	0.6
105.64922	0.5
110.93480	0.6
126.41186	0.4
131.70351	0.5
133.06592	1.6
149.09729	77.6
150.10069	4.6
168.41969	0.5
197.15416	0.5
205.15971	81.1
206.16312	7.1
367.26413	100.0
368.26776	15.5
368.30566	0.3
368.31491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79264	0.5
57.03453	1.7
59.01399	2.6
59.01642	0.5
60.01727	0.8
61.98833	7.9
67.86790	0.4
71.01385	1.7
72.99323	2.0
75.00903	0.8
76.58105	0.6
79.69579	0.4
81.03460	2.0
82.06754	0.6
83.01416	1.1
85.02949	9.1
86.66788	0.5
87.00915	0.5
89.02460	0.6
93.03468	2.2
99.00874	1.4
101.02473	0.8
111.00892	2.9
113.02424	0.7
118.03004	1.2
119.05051	1.5
120.04591	3.3
120.05327	0.6
122.03828	0.5
123.04512	1.4
124.44196	0.5
125.02458	4.6
128.03551	12.2
129.01959	3.0
131.03474	1.5
132.04613	0.7
133.02956	1.4
134.03793	2.6
134.06140	8.2
135.04092	1.9
135.06459	0.9
137.02397	0.7
137.06058	2.7
143.03523	0.8
144.04565	3.6
147.03271	22.9
148.03558	0.8
160.04037	11.4
161.04433	1.1
162.05609	100.0
163.00366	0.5
163.03984	1.5
163.05995	5.0
173.04585	1.9
179.03452	0.6
182.98096	0.6
188.03632	0.6
191.05617	4.2
193.05057	2.9
194.05392	3.4
205.03548	8.2
206.04579	63.9
207.04907	4.7
221.04567	0.5
223.04630	6.6
249.03949	0.6
269.43784	0.5
368.09818	56.6
368.13458	3.3
369.10370	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	367.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	7.6
61.98829	100.0
62.88018	1.8
69.58597	12.7
70.11738	2.1
71.01380	2.4
75.25857	2.1
93.03458	5.7
95.81576	1.9
98.20628	3.6
118.73845	2.0
121.03017	2.0
126.04224	2.1
134.03749	4.7
138.95547	2.0
139.17615	2.2
173.04582	2.6
177.79382	1.9
178.59608	2.0
182.78668	2.4
189.50871	1.9
191.05603	10.8
287.86310	1.9
367.16608	9.7
367.22360	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	367.2639
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
53.21690	0.4
59.01396	0.7
61.98831	1.7
69.73248	1.9
71.52570	0.3
75.11685	0.4
75.15517	0.3
91.43748	0.4
102.75574	0.4
133.06595	8.8
133.07486	0.3
134.06982	0.5
149.09723	74.5
150.10059	4.5
167.87352	0.4
178.83594	0.4
194.09471	1.3
205.15973	43.2
206.16336	3.9
243.61328	0.5
295.17020	2.9
307.83975	0.4
314.87839	0.4
328.16800	2.0
329.17053	0.4
355.62021	0.5
367.26413	100.0
368.26740	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	367.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00417	4.8
59.01365	21.0
61.98806	13.8
67.01926	5.2
71.54311	5.2
73.41988	5.9
85.02955	17.4
93.03429	16.1
98.81776	5.6
134.03760	27.0
157.50488	5.6
158.93309	4.8
173.04526	16.4
191.05615	100.0
193.05078	31.6
353.91913	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45065	11.1
59.01365	57.7
61.98833	80.0
62.99980	11.8
70.79482	20.3
70.79807	20.8
71.01374	36.0
73.02927	14.6
74.65604	11.4
76.17065	13.4
85.02919	22.9
87.00877	22.4
93.03451	45.9
95.72972	11.9
100.89924	13.6
101.02443	13.7
110.63525	12.7
134.03722	30.7
137.97423	12.8
160.36913	13.3
173.04515	39.0
177.25572	12.7
189.82848	12.6
191.05602	100.0
193.04967	17.1
229.33365	12.7
288.54764	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	367.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	70.0
61.98817	33.8
71.01378	18.0
71.54288	12.9
72.79068	8.4
72.99313	9.1
85.02947	26.0
87.00845	13.1
93.03458	23.7
100.09887	9.2
119.04978	17.1
128.10852	12.5
130.08739	56.7
134.03728	56.4
163.03903	7.7
173.04527	18.0
191.05621	100.0
193.04997	47.7
205.12134	14.5
215.00137	8.8
221.06580	26.7
367.15079	16.7
368.17285	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	367.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	70.0
61.98817	33.8
71.01378	18.0
71.54288	12.9
72.79068	8.4
72.99313	9.1
85.02947	26.0
87.00845	13.1
93.03458	23.7
100.09887	9.2
119.04978	17.1
128.10852	12.5
130.08739	56.7
134.03728	56.4
163.03903	7.7
173.04527	18.0
191.05621	100.0
193.04997	47.7
205.12134	14.5
215.00137	8.8
221.06580	26.7
367.15079	16.7
368.17285	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	367.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.4
61.98829	0.4
66.84158	0.3
69.74923	1.6
71.01384	0.5
73.02954	0.4
85.02949	0.8
92.89854	0.3
93.03447	0.6
94.27648	0.3
121.02959	1.1
134.03777	0.5
147.04532	1.4
148.05310	100.0
149.05641	6.2
163.07655	72.7
164.07962	4.9
193.05133	0.7
209.68349	0.4
267.97165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1032
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
59.01378	4.2
69.94904	2.3
71.01376	5.4
73.02949	3.8
81.03447	0.6
83.01406	1.0
83.05015	1.0
85.02944	3.6
87.00880	1.2
89.02453	1.1
89.03983	1.8
93.03455	4.9
95.01453	0.5
99.00893	1.5
101.02444	8.1
111.04502	3.0
113.02483	2.5
117.03461	6.9
119.05040	0.6
125.02383	0.6
127.03985	0.6
129.01976	0.5
134.03741	77.9
135.04086	4.3
149.06087	5.7
155.03513	2.9
159.03023	0.8
161.04575	2.5
173.04533	4.9
174.04881	0.6
179.49152	0.4
191.05617	14.9
192.05956	1.0
193.05048	100.0
194.05397	6.8
209.45683	0.5
235.11870	12.9
236.12242	1.1
254.43077	0.5
367.10272	8.8
367.16016	12.9
367.20572	0.8
368.10577	1.1
368.16183	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1031
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
57.03428	0.9
59.01364	1.3
60.99298	2.0
61.53827	0.4
67.01889	4.9
69.03442	1.6
69.82551	1.5
71.01371	2.2
81.03448	1.1
83.05013	0.8
85.02942	5.3
87.00874	7.6
88.44755	0.4
93.03455	33.3
94.03784	1.2
98.19960	0.4
99.00881	0.8
99.04520	0.8
99.31618	0.4
109.02914	0.6
111.00918	0.5
111.04520	4.7
113.02407	0.6
117.03446	1.6
127.04003	1.2
129.01921	1.0
134.03745	13.5
135.04097	0.6
145.26643	0.4
149.06055	0.4
155.03493	1.5
173.04539	21.6
173.43324	0.4
174.04861	1.3
175.03955	0.6
191.05614	100.0
192.05983	4.1
193.05070	7.8
194.05498	0.5
228.47673	0.4
304.31085	0.4
327.14810	0.4
365.52496	0.4
367.10287	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	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38543	0.2
55.10543	0.2
57.96965	0.2
59.01381	1.3
60.99289	0.4
64.80096	0.3
67.01881	0.8
69.03455	0.3
71.01378	0.8
71.36134	0.2
73.02955	0.3
79.59141	0.2
81.03481	0.3
85.02950	8.4
87.00880	1.6
93.03461	4.8
99.04476	0.3
103.48923	0.3
109.02930	0.7
111.04510	1.6
113.02420	0.3
117.03452	0.3
117.54398	0.3
127.04021	1.6
134.03729	2.9
135.04065	0.3
137.02446	0.3
155.03479	0.3
160.01682	0.3
163.75380	0.3
173.04549	2.1
175.03975	0.3
191.05612	100.0
192.05974	4.5
193.05052	1.1
202.91455	0.3
226.05180	0.2
226.61517	0.3
241.11095	0.3
367.10257	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	367.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40183	0.4
54.67498	0.4
57.03462	0.7
59.01372	2.2
60.99308	2.9
67.01891	11.4
69.03462	1.6
69.86031	0.9
69.86448	1.6
71.01385	3.2
72.99313	3.1
73.02934	0.6
81.03461	1.8
83.01405	3.3
83.05040	0.9
85.02949	18.5
87.00870	9.9
93.03459	48.7
94.03792	1.8
98.20561	0.7
99.00887	2.0
99.04536	0.6
101.02452	1.8
109.02925	0.7
111.00882	100.0
111.04513	8.3
112.01222	2.7
113.02466	1.3
129.01944	6.2
134.03741	20.2
135.04042	0.9
137.02454	1.6
149.06068	1.4
154.99866	14.7
155.03502	2.2
156.00208	0.9
167.03459	0.6
173.00917	31.2
173.04539	45.5
174.01300	0.8
174.04886	2.2
178.02649	1.0
191.05586	8.9
193.05040	11.5
194.05341	0.7
367.10327	22.7
368.10721	2.2
378.66608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40183	0.4
54.67498	0.4
57.03462	0.7
59.01372	2.2
60.99308	2.9
67.01891	11.4
69.03462	1.6
69.86031	0.9
69.86448	1.6
71.01385	3.2
72.99313	3.1
73.02934	0.6
81.03461	1.8
83.01405	3.3
83.05040	0.9
85.02949	18.5
87.00870	9.9
93.03459	48.7
94.03792	1.8
98.20561	0.7
99.00887	2.0
99.04536	0.6
101.02452	1.8
109.02925	0.7
111.00882	100.0
111.04513	8.3
112.01222	2.7
113.02466	1.3
129.01944	6.2
134.03741	20.2
135.04042	0.9
137.02454	1.6
149.06068	1.4
154.99866	14.7
155.03502	2.2
156.00208	0.9
167.03459	0.6
173.00917	31.2
173.04539	45.5
174.01300	0.8
174.04886	2.2
178.02649	1.0
191.05586	8.9
193.05040	11.5
194.05341	0.7
367.10327	22.7
368.10721	2.2
378.66608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95108	0.9
59.01382	100.0
60.01717	1.8
60.22483	0.8
61.98833	4.4
66.38380	0.9
68.58625	1.0
70.02966	1.2
70.40074	3.5
98.02477	4.5
98.59563	0.9
103.00381	1.6
114.05634	1.7
124.51965	0.9
140.07208	3.3
146.96619	1.9
169.95769	1.0
188.35182	1.0
205.13315	0.9
207.42496	1.0
246.14938	10.2
247.15221	1.6
309.07498	1.5
352.09906	1.3
367.11884	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	366.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79399	3.4
59.01380	7.8
61.98832	100.0
71.55151	6.1
87.00873	4.0
90.10605	3.7
96.87473	3.5
146.96571	4.1
161.95511	3.3
173.04486	4.4
194.25677	3.9
197.97156	3.3
244.61023	3.4
258.68546	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	366.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.9
61.98829	100.0
69.54176	2.7
69.54584	1.4
71.01402	0.9
72.99316	1.3
85.02987	0.8
98.19470	0.7
112.98824	0.9
130.80498	0.6
137.02507	0.7
153.05569	0.8
174.01746	1.6
191.05624	1.5
193.05043	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15286	0.3
55.62252	0.3
59.01380	1.1
61.98828	100.0
69.17809	3.3
72.99316	0.4
74.66158	0.3
75.00865	0.3
89.02442	0.9
98.19918	0.6
98.96579	0.4
99.00902	0.4
116.18480	0.4
117.01913	0.8
142.99886	1.5
153.05598	0.5
167.07140	0.5
173.00969	0.6
174.01717	1.0
183.66122	0.3
191.05641	0.7
193.05011	0.6
225.07652	0.5
271.08255	0.6
284.39780	0.3
304.04333	0.4
349.28503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.8
61.34585	1.2
61.98822	2.1
64.66836	0.9
69.89608	5.1
71.01378	4.6
72.99312	1.6
73.02963	2.1
85.02928	2.8
86.00101	2.7
87.00869	14.4
89.02435	4.2
99.00838	1.1
101.02441	6.7
111.00850	1.8
113.02422	3.7
121.05287	1.4
122.06104	25.7
129.02020	1.5
130.08728	15.4
132.04364	1.1
134.06097	3.7
135.03270	1.3
136.03998	2.1
136.07671	14.3
138.05646	1.5
149.04811	1.3
150.05598	84.6
151.05916	5.3
151.28293	1.1
152.07161	7.3
160.04042	1.2
161.04596	1.2
162.05588	4.2
164.07094	3.0
168.06567	1.9
174.05589	3.2
175.06369	1.6
176.07109	9.9
191.05579	1.5
192.06676	1.6
194.08220	3.4
203.38498	1.1
204.06512	1.5
222.07707	3.1
250.89590	1.3
252.08691	2.2
286.44308	1.0
312.10858	35.4
313.11090	3.9
330.11911	100.0
331.12296	10.5
365.32120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41365	0.2
59.01371	0.6
61.98820	0.3
71.01388	0.2
71.30641	0.4
116.05061	3.3
117.03525	0.3
126.23092	0.2
132.04578	0.4
134.03751	2.5
151.68700	0.2
152.86995	0.2
155.22926	0.2
159.03242	0.4
160.04034	100.0
161.04393	5.2
167.03551	0.5
193.05045	3.4
204.03006	4.5
205.03334	0.3
208.02513	0.2
284.81012	0.2
366.08264	20.0
367.08511	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	365.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	51.3
61.98813	32.6
69.50478	13.7
69.50813	100.0
96.95985	21.0
102.11386	14.5
137.05954	15.7
149.09930	15.5
217.23294	16.5
251.66982	14.5
258.18884	13.9
291.19421	13.0
298.87866	15.4
365.26816	67.6
386.72662	16.5
387.26010	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	365.2697
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
52.04201	0.9
56.03208	0.9
59.01371	2.0
61.98831	3.8
70.16537	1.2
70.16953	2.1
98.20577	0.8
116.92840	1.8
138.09103	0.9
146.96640	1.0
155.14427	0.9
161.13277	0.7
165.12833	3.2
181.12314	2.3
199.13406	30.7
200.13715	2.7
202.11043	0.9
222.47319	0.9
347.26031	4.3
348.26437	0.9
365.26962	100.0
366.27255	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36399	0.6
59.01381	100.0
60.01713	1.2
61.98830	29.8
66.41711	0.6
71.01385	1.0
71.54159	0.8
71.54544	0.9
85.02954	0.9
97.02962	0.7
102.16935	0.7
144.04572	0.9
149.06137	1.1
151.07686	0.8
179.03395	0.8
292.77393	0.7
358.39581	0.7
365.16360	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	365.2695
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
50.31659	0.4
58.23586	0.4
59.01365	1.6
61.98823	1.3
67.75031	0.5
71.02666	0.5
71.02981	0.6
71.37406	0.5
74.30114	0.5
85.06570	2.3
88.68035	0.6
116.92879	0.6
132.97289	0.5
135.09584	0.5
199.13458	2.4
261.18518	1.1
279.19635	18.5
280.20023	2.2
347.25934	6.3
365.26944	100.0
366.27283	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.6
57.03443	2.7
58.00597	5.0
59.01380	100.0
60.01724	1.2
61.98832	1.7
69.03448	1.1
71.01384	92.7
71.05016	1.1
71.52959	1.2
72.99302	4.4
73.02946	18.3
75.00901	1.3
83.01388	8.5
84.02184	0.9
85.02954	31.7
85.06621	0.9
86.00108	1.2
86.03396	0.7
87.00882	8.1
87.04517	6.8
89.02447	79.0
90.02811	1.3
91.47586	0.7
95.01401	6.5
97.02956	1.9
97.06591	10.2
99.00891	7.1
101.02448	65.2
101.91852	0.6
102.02793	1.5
109.06582	6.3
113.02454	37.4
114.02805	1.9
115.07648	1.5
119.03509	38.9
120.03865	0.7
125.02480	1.7
125.09705	1.0
127.07709	1.0
129.01968	0.9
131.03494	6.9
133.02945	0.8
137.09772	1.0
139.18027	0.8
143.03490	7.1
143.04295	0.7
144.04587	1.4
149.04576	4.0
149.09732	2.9
159.02988	4.9
161.04567	36.8
162.04904	1.1
165.47841	0.8
167.10791	2.4
177.01970	1.0
179.05626	15.0
185.11884	2.0
203.12865	8.3
205.03639	0.8
213.82272	0.7
217.10841	0.9
221.06644	7.9
233.10376	2.2
277.12952	10.2
305.16055	1.0
347.17178	1.6
353.58594	0.6
365.05295	1.0
365.14182	4.4
365.18210	44.4
366.18552	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81729	0.5
51.64210	0.5
55.01868	1.7
57.03461	0.7
58.00583	0.6
59.01382	54.0
62.88528	0.5
70.29108	2.5
71.01019	0.8
71.01382	10.5
73.02949	22.7
74.03254	0.8
80.46005	0.6
83.01400	2.7
83.19939	0.6
85.02951	6.0
87.00883	0.9
89.02444	2.9
99.00886	1.3
101.02434	12.3
102.02747	0.6
113.02452	5.1
125.02442	1.0
132.69977	0.6
143.07137	1.0
159.02946	1.1
161.04520	3.6
171.03120	0.7
185.69310	0.6
196.76883	0.6
203.12886	3.7
217.10938	0.7
305.15964	3.5
347.17120	1.5
354.43875	0.6
365.18149	100.0
366.18454	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01713	1.2
61.98829	3.4
69.79758	2.2
69.80157	1.1
71.01381	0.8
73.94286	0.6
85.02982	1.3
93.07096	0.6
98.20566	0.8
102.05470	0.6
106.98217	0.6
120.99692	0.6
130.08792	1.4
132.66069	0.8
133.06612	0.7
144.04628	0.7
150.39803	0.7
151.03983	0.8
161.02470	0.9
174.36969	0.6
183.06955	0.6
187.07669	2.1
202.09818	2.8
223.06157	1.1
321.13550	2.6
353.19580	0.6
365.12411	2.0
365.17389	1.8
366.06033	0.9
366.15552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36399	0.6
59.01381	100.0
60.01713	1.2
61.98830	29.8
66.41711	0.6
71.01385	1.0
71.54159	0.8
71.54544	0.9
85.02954	0.9
97.02962	0.7
102.16935	0.7
144.04572	0.9
149.06137	1.1
151.07686	0.8
179.03395	0.8
292.77393	0.7
358.39581	0.7
365.16360	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	365.0876
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
53.13602	0.4
57.03431	0.5
59.01379	9.7
61.98826	1.9
71.01387	0.9
71.18295	0.5
71.54390	0.6
73.02934	0.9
83.01393	0.7
83.05006	1.0
85.02927	0.9
85.96385	0.5
89.02461	0.8
89.79848	0.5
92.68085	0.5
93.03439	0.5
101.02474	0.9
101.59332	0.4
115.89415	0.4
120.99646	0.8
132.04555	1.0
137.63705	0.5
138.90300	0.5
145.02922	0.7
146.56400	0.5
147.04480	0.7
151.04073	0.6
151.92841	0.6
152.05789	0.4
158.03745	14.8
159.04546	6.2
161.05971	0.5
161.83975	0.5
162.05605	0.5
171.04492	1.8
173.06070	0.8
175.03983	1.1
175.07697	0.7
184.05304	0.7
185.06076	0.5
187.67380	0.4
189.05571	2.1
193.08717	0.8
201.01958	0.9
201.05583	3.4
202.02721	100.0
203.03226	8.7
203.07190	1.8
204.07730	0.6
213.05486	2.8
215.03468	0.6
219.10275	10.7
220.10609	0.8
231.06671	1.3
245.04553	0.9
266.20908	0.5
275.05606	1.5
289.12079	0.9
300.16916	0.5
323.11359	21.2
324.11636	1.7
330.18143	0.5
333.10895	1.0
357.14349	0.4
361.06769	0.5
365.08737	51.3
366.09027	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	365.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70725	0.2
57.43758	0.2
59.01380	3.8
61.98825	2.9
68.99570	0.9
69.35819	1.6
71.01377	2.8
73.02941	0.5
83.01403	0.4
85.02968	0.8
87.00882	1.4
89.02438	1.6
95.01363	0.2
95.61013	0.2
96.96927	0.4
98.80576	0.2
99.00928	0.2
101.02443	1.7
107.03746	0.2
108.02156	1.2
112.98564	0.8
113.02451	1.4
119.03511	0.5
122.03763	0.3
122.06133	2.0
123.04500	1.1
124.11295	0.5
125.02468	0.4
131.03767	2.9
134.06161	0.3
136.07660	1.1
143.03441	0.4
144.04547	100.0
145.04861	5.4
150.05602	7.4
150.06822	0.3
152.01167	1.1
152.07173	0.5
158.06039	0.5
159.03239	0.3
160.04057	0.4
161.04573	0.7
162.05591	0.3
164.07123	0.3
167.03484	4.7
174.05583	0.3
175.06355	0.3
176.07155	0.7
186.07683	0.2
194.08197	0.4
202.11111	58.0
203.11812	17.2
204.06726	0.3
204.12233	1.4
215.11919	0.3
217.13470	1.7
227.11873	0.2
245.12939	6.4
246.13135	0.5
252.08763	0.2
257.12973	0.7
263.77890	0.2
275.13953	0.8
312.10873	3.4
327.12988	0.3
329.08698	1.9
330.11948	8.2
365.17148	53.0
366.17538	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	365.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.3
57.03444	2.2
58.00601	3.4
59.01379	83.5
60.01718	1.9
61.98821	3.4
69.03487	1.2
69.54772	6.5
70.47438	1.1
71.01380	62.5
72.01743	2.1
72.99303	4.8
73.02946	13.3
73.65004	1.1
75.00877	4.8
83.01393	8.4
85.02951	21.5
86.00153	1.6
87.00890	4.6
89.02444	55.0
94.03108	1.1
95.01397	4.7
97.02965	2.4
97.06586	4.8
99.00883	7.2
101.02442	42.2
102.02737	1.8
108.02249	2.0
111.00904	1.5
113.02448	27.4
119.03499	22.4
122.06181	1.5
123.04518	5.6
125.02452	2.4
129.05560	1.3
131.03499	3.1
133.02930	1.8
138.01965	1.4
138.05565	1.4
143.03516	3.7
143.07138	3.0
149.04561	2.0
151.00363	2.1
152.01138	2.9
155.23712	1.2
159.03044	2.6
160.04092	1.3
161.04553	19.8
165.01929	1.5
165.05605	1.2
166.02693	4.9
167.03500	29.3
168.03821	1.7
177.01947	1.7
179.05629	10.3
181.05037	4.3
203.11092	1.1
203.12877	3.6
209.04536	17.4
233.06706	1.6
233.10297	22.9
234.10603	1.1
238.17613	1.1
239.05635	1.5
269.06607	2.9
277.13010	1.3
307.20789	1.2
314.06415	1.8
329.08755	100.0
330.09128	10.6
365.14432	24.0
365.18268	12.1
366.14645	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	364.9634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.1
61.98829	100.0
70.11719	1.6
79.73548	0.4
80.91677	0.4
97.02293	0.5
98.20713	0.5
99.45537	0.4
103.12526	0.4
135.95688	0.8
166.31882	0.4
178.98375	0.5
180.94148	8.2
195.92790	0.5
203.02335	0.7
206.97441	4.9
207.97560	0.6
219.97749	1.4
220.97743	0.5
220.99655	2.3
221.99991	0.5
222.95197	73.2
223.90462	0.5
223.95218	0.6
223.97141	0.8
249.45448	0.4
302.41263	0.4
364.96356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10248	1.0
56.57163	1.0
59.01380	27.1
61.98832	4.8
64.90275	1.0
70.97040	0.9
71.01389	10.1
73.02950	2.0
76.21095	1.0
83.01397	1.5
85.02949	2.8
87.00865	1.5
89.02458	7.2
95.01443	1.2
101.02448	4.6
108.02177	28.3
113.02454	4.5
119.03526	3.1
121.16514	0.9
123.04531	18.8
143.07147	2.7
144.04546	13.5
145.04979	1.4
152.01155	29.8
152.02408	1.7
153.01559	1.2
160.04031	15.2
161.04546	4.0
167.03493	100.0
168.03830	4.2
179.05667	1.0
179.17711	1.0
195.09923	1.0
202.11107	9.2
203.11798	3.4
233.86989	1.1
287.01343	1.0
329.08743	12.8
330.09146	1.3
365.17816	8.2
366.08301	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	364.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01722	11.2
61.01804	6.5
61.63240	2.2
61.98830	54.1
62.81925	2.5
71.38577	3.6
125.05026	2.4
169.86920	2.5
202.63994	2.2
218.07230	2.7
219.06941	10.7
220.07108	15.4
221.06686	2.9
288.13397	13.6
302.16910	6.2
303.16754	12.9
304.16608	91.6
305.16510	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	364.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.1
61.98830	100.0
66.95167	0.6
70.09485	2.0
70.09830	0.8
92.03899	0.8
98.20037	0.8
116.92905	0.6
229.56354	0.6
280.08105	0.6
301.18167	3.0
302.18384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65511	1.0
59.01379	100.0
61.98817	3.1
64.94733	0.8
97.35143	0.9
98.20666	3.6
117.43591	1.0
117.79478	0.8
230.13657	1.1
307.02319	0.9
311.99759	1.1
314.59079	0.9
325.19141	1.1
359.31726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.6
61.98831	100.0
69.14983	1.2
69.15389	3.2
71.01413	0.6
89.02472	0.9
98.19916	0.7
113.02499	0.6
118.81950	0.5
139.04094	0.5
251.44722	0.5
278.68814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11460	0.5
59.01379	6.0
61.98832	100.0
71.01394	1.6
71.52939	0.6
78.95901	5.2
80.91717	0.5
81.15054	0.5
85.02982	0.9
89.02465	0.7
95.05039	0.4
96.96027	2.7
96.96957	9.7
98.02487	1.0
101.02470	1.3
103.97717	0.6
108.02224	0.8
113.02454	0.8
114.05631	1.2
119.03571	0.6
123.04514	0.6
128.07143	0.6
133.02972	0.7
136.23721	0.6
142.05118	2.0
143.03571	0.5
152.01151	0.7
167.03529	2.2
174.21045	0.5
184.06195	0.6
235.55235	0.5
315.07321	0.6
329.08908	1.6
350.71448	0.6
364.15854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	4.5
61.98835	100.0
63.02398	3.1
63.78933	0.9
65.00320	4.3
70.53108	0.9
83.01392	3.7
85.89622	1.0
93.03474	2.3
107.01398	8.7
109.02969	1.3
119.04991	1.0
121.02977	8.7
134.03722	2.9
135.04553	1.0
144.04530	1.0
149.02432	1.7
150.99188	2.1
151.00383	36.0
151.61577	1.0
152.00706	1.6
161.06096	12.1
169.01393	1.6
175.04071	1.9
178.99866	13.2
187.03882	1.2
193.05066	2.8
228.03474	0.9
273.04007	1.5
301.03531	76.9
302.03812	10.2
365.16422	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96634	0.9
59.01371	4.5
60.01661	0.9
61.80785	0.9
61.98837	13.8
68.75056	1.0
68.99830	1.1
69.55476	5.9
75.10154	0.9
85.02968	1.2
97.02952	3.4
114.05614	6.9
121.02954	2.8
127.18645	0.9
133.02939	0.9
135.04497	1.0
137.02454	17.5
138.02853	1.7
146.66917	0.9
165.01935	100.0
166.02267	4.9
187.11263	1.5
285.03903	1.5
301.03537	32.5
302.03885	3.0
336.89960	1.0
364.17657	2.6
365.16919	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45870	23.6
59.01381	100.0
60.48502	23.1
61.98825	62.6
71.54839	32.0
78.30018	25.3
81.31903	22.1
110.24866	23.4
116.92800	22.5
119.94666	21.3
164.48344	24.6
169.07407	28.0
256.11429	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30656	16.5
55.74629	18.5
59.01368	37.9
69.81997	100.0
72.39291	16.4
103.91576	18.7
139.34604	16.4
165.42026	17.0
188.09441	16.1
226.70552	18.9
245.95174	18.1
310.58273	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	363.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03470	1.1
58.00581	0.8
59.01380	100.0
59.05000	0.6
60.01712	1.2
61.35391	0.5
71.01389	7.7
71.05028	2.5
71.55756	0.9
73.02946	3.7
74.70438	0.5
83.01403	1.3
85.02948	7.0
87.00936	0.5
89.02477	1.5
95.01392	0.8
96.96004	0.8
97.06593	3.2
99.00884	1.2
101.02445	5.9
108.60371	0.6
110.38762	0.7
111.08231	0.8
113.02431	3.5
123.08169	3.3
131.03555	0.8
139.11290	34.4
140.11678	1.3
155.10767	0.9
157.12369	1.3
161.02478	1.0
161.04547	3.1
181.12305	0.9
183.10312	0.8
201.11317	74.7
202.11653	4.9
215.12897	0.6
225.11409	2.6
243.12286	1.3
319.11920	1.6
321.19141	7.4
363.07190	0.7
363.16476	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77145	0.9
55.01875	2.1
57.03442	6.6
58.00599	1.3
59.01381	72.1
60.01709	1.0
61.98827	5.9
71.01382	26.2
73.02943	16.6
83.01388	3.8
85.02943	14.8
87.00877	2.0
87.04523	3.0
89.02451	13.7
95.01366	1.6
97.06600	1.1
99.00893	2.5
101.02441	20.7
111.04560	0.9
113.02467	9.8
119.03487	5.6
119.05007	0.9
123.08201	1.0
129.01952	1.7
133.24950	0.9
139.11258	1.6
139.99153	0.8
143.03487	1.4
157.12352	1.1
159.03027	1.6
161.04527	5.9
171.10190	0.9
183.10255	9.2
184.09810	3.7
191.01987	0.8
201.11316	6.9
215.09262	1.5
229.02927	1.1
303.14557	1.7
319.17480	2.3
345.15591	1.1
363.16599	100.0
364.16824	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	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
57.03435	2.0
58.00583	1.5
59.01383	42.5
60.01716	0.8
61.98845	0.7
71.01386	21.6
71.05029	0.5
72.99303	1.7
73.02948	11.4
83.01389	2.3
85.02956	9.7
85.06586	3.2
85.45057	0.5
87.00881	1.1
87.04508	0.7
89.02445	16.3
95.01382	1.6
95.05020	0.6
97.06584	1.6
98.62080	0.5
99.00864	0.7
101.02449	12.3
101.06052	1.1
111.04533	0.7
113.02453	7.3
115.70373	0.5
119.03519	6.4
119.05009	1.8
120.99644	0.9
125.06098	0.8
129.01886	0.6
129.05586	2.7
131.03511	0.5
137.09721	0.5
139.11278	2.1
140.10834	2.9
141.07498	0.5
157.12360	0.6
161.04555	1.7
163.03976	1.9
165.09219	1.2
171.10223	1.2
179.05602	0.5
183.10266	29.8
184.09697	11.2
185.11830	0.7
191.01978	1.0
201.11314	8.3
202.11490	0.6
215.09277	1.7
278.17123	0.4
280.51694	0.4
345.15573	0.8
363.16611	100.0
364.10880	0.8
364.16705	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	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01719	1.4
61.57642	0.4
69.54821	2.5
71.01389	1.8
73.02950	1.5
73.95523	0.5
82.81976	0.5
89.02458	0.8
96.96027	0.6
101.02440	1.9
113.02464	0.9
128.77475	0.4
139.11307	1.0
163.81992	0.4
179.15039	0.4
201.11313	2.9
206.29950	0.4
304.11884	0.6
322.12970	0.8
341.80707	0.4
357.39362	0.5
363.07587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51365	0.6
55.01882	1.0
57.03449	4.6
59.01378	100.0
60.01699	1.6
61.98830	1.8
68.06345	0.7
70.65177	1.3
70.65474	1.0
71.01379	18.8
72.99307	2.6
73.02946	4.1
82.03012	0.9
83.01398	3.0
85.02943	6.2
87.13558	0.7
89.02442	19.2
95.01388	1.5
101.02439	13.8
113.02451	8.5
119.03502	8.2
122.56874	0.7
131.03499	1.0
140.72295	0.7
143.03462	1.1
154.82858	0.8
161.04558	2.0
164.03510	1.1
175.26280	0.7
179.05666	1.4
183.10178	4.3
201.11250	0.8
257.12894	0.9
260.57529	0.8
287.10471	1.5
331.09344	0.8
339.54916	0.8
363.16580	98.4
364.16846	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	363.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00856	0.4
54.82809	0.4
54.90099	0.4
59.01383	5.9
61.98830	9.5
63.65718	0.4
70.81928	0.4
71.01382	3.2
71.53577	0.6
78.95908	49.1
79.73206	0.4
82.27814	0.4
85.02950	2.9
87.00903	0.7
87.33585	0.4
89.02447	3.1
90.02755	0.5
95.05003	0.7
96.96082	4.4
96.96967	100.0
97.02997	0.5
100.16382	0.4
101.02467	1.7
112.04031	2.0
113.02466	1.3
119.03506	1.5
124.04024	0.5
136.99174	0.5
139.04015	0.9
141.05522	0.6
142.05135	0.7
149.04521	0.4
154.05110	1.0
161.04544	1.0
166.05119	5.1
169.21007	0.4
179.05672	1.1
182.08231	2.5
184.06059	0.5
185.04436	0.6
193.95767	0.4
226.07239	1.2
265.09293	6.2
266.09796	0.5
274.50864	0.5
327.13034	1.1
346.11453	3.7
363.06885	0.7
363.11499	0.7
364.10437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
59.46105	0.1
61.98827	0.5
64.89642	0.1
69.82205	0.3
81.72166	0.1
84.04546	0.5
99.92589	13.9
100.92612	0.8
100.93382	1.7
100.93974	0.2
115.92087	21.6
116.92867	100.0
117.92885	5.6
117.93635	0.4
125.92903	1.3
126.92915	0.1
131.91547	0.1
132.92346	0.3
141.92374	0.2
153.31108	0.1
153.96040	0.1
157.91891	0.7
237.01001	0.4
238.01711	0.4
255.02155	0.2
256.02762	0.1
265.82135	0.1
270.00790	0.1
273.04535	0.2
301.04391	0.1
302.51727	0.1
344.09552	1.1
345.10019	0.2
362.10657	17.0
363.10858	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18653	0.6
59.01383	4.4
61.98830	100.0
71.01388	1.6
71.09070	1.3
73.93272	0.6
93.03465	1.1
101.02435	1.5
119.05034	7.5
119.42873	0.6
120.05372	2.5
124.01646	6.6
125.02002	3.6
137.02426	2.1
139.04012	16.9
140.04355	13.7
161.04619	1.0
162.13275	0.7
163.04012	9.9
164.04379	3.8
201.14349	0.7
217.99747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00631	1.0
59.01382	30.0
59.60741	0.7
61.98830	100.0
63.14637	0.6
68.55013	0.6
71.01384	15.6
83.01421	0.9
85.02947	3.8
87.00870	3.7
88.21584	0.8
89.02444	18.6
93.03484	3.2
94.94148	0.7
95.01398	1.4
98.19913	1.1
101.02440	7.5
113.02446	11.9
119.03523	7.9
119.05007	13.5
119.05805	1.0
120.05384	4.0
122.06148	2.7
122.94556	0.8
131.03485	1.2
137.02431	9.6
140.07193	1.7
141.09999	0.7
143.03540	2.2
151.48213	0.7
161.04575	4.2
163.03995	16.3
163.05231	1.1
164.04373	6.7
165.05598	2.0
177.75468	0.9
179.05598	13.9
182.08261	1.2
194.08276	2.1
209.84262	0.9
249.38286	0.8
325.09369	1.8
326.09805	1.1
327.10938	0.9
363.17004	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44144	0.5
55.01855	0.5
57.03455	0.8
58.00610	0.5
59.01378	11.6
61.98828	100.0
62.98507	0.6
70.31835	0.6
71.01379	6.9
71.54601	0.8
72.99306	0.7
73.02940	1.6
75.00870	0.7
83.05053	0.7
85.02927	3.1
87.00875	1.2
88.26261	0.5
89.02428	5.2
89.02850	0.5
93.03451	11.5
94.03803	0.9
95.01399	0.9
101.02438	3.7
103.02261	1.7
103.33729	0.6
109.03021	0.7
111.04555	0.8
113.02447	3.4
116.18923	0.6
119.03519	1.5
120.99697	0.9
122.51582	0.6
123.08174	0.8
137.02441	33.7
137.06004	0.7
138.02818	1.3
143.03569	0.6
159.03014	0.6
161.04587	2.8
173.04570	0.5
177.01974	1.7
179.05635	2.8
179.10828	0.8
186.05867	0.5
201.11311	0.7
211.30649	0.5
215.09232	0.7
236.20177	0.6
275.09650	1.8
299.07703	5.4
300.08386	0.8
362.12613	1.0
363.11581	2.8
363.16779	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	361.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18690	1.1
59.01379	100.0
60.01715	1.2
61.98831	2.1
64.43375	0.9
69.33231	0.9
69.58080	6.9
74.42120	1.0
75.10419	0.9
98.19907	2.4
118.93176	1.2
142.73701	1.0
237.84584	1.1
361.20334	2.4
368.48700	1.1
371.69354	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.9893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61131	0.3
55.96192	0.3
59.01384	9.6
60.01714	0.8
61.01809	0.3
61.18019	0.3
61.98832	100.0
64.18201	0.4
70.84227	0.6
85.40849	0.3
87.18040	0.3
94.33611	0.3
97.72763	0.3
120.91032	0.3
159.97314	0.4
174.99188	0.8
175.99628	0.5
177.96669	0.7
178.98523	0.4
200.96800	0.3
201.02541	1.3
203.02258	0.7
203.99979	4.4
204.02759	0.8
205.00085	0.5
205.99745	0.3
206.97472	0.4
217.00336	3.0
218.00671	2.7
219.00803	1.5
219.97752	51.2
220.95363	0.3
220.97728	0.6
220.98402	0.7
220.99780	3.2
231.31207	0.4
287.44650	0.3
319.97696	0.4
361.98553	2.4
362.98953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.5
61.98826	1.0
69.87402	2.2
69.87808	1.5
98.20559	1.1
138.13257	0.7
181.05521	0.7
183.98422	0.6
216.13200	0.6
256.83325	0.6
279.23279	100.0
280.23679	10.9
361.23596	20.5
362.23868	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	361.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98811	30.7
65.29964	15.0
69.72932	13.2
69.84757	14.4
70.70811	36.8
84.04147	14.2
96.05548	13.9
125.48498	14.7
131.24152	12.4
132.61098	12.6
173.91718	12.6
217.07166	27.5
290.23572	13.7
301.16672	60.4
327.86032	13.6
346.67331	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	361.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72430	0.5
57.03445	2.3
59.01382	40.3
60.01708	0.6
60.05508	0.6
61.98837	0.6
68.88165	0.7
69.03456	1.4
69.65882	1.7
69.66296	1.4
71.01382	7.7
71.05017	3.3
73.02950	13.9
83.01390	0.8
83.05044	1.3
85.02965	3.0
85.06539	0.6
87.00882	0.7
87.04510	8.3
89.02449	1.5
95.01414	1.0
97.06586	5.9
99.04533	0.9
101.02440	3.4
109.02954	2.2
113.02444	1.8
115.07631	1.6
118.94517	0.5
131.03551	0.6
133.02945	0.8
137.02458	2.1
139.04031	0.8
139.11290	3.7
151.00368	1.2
152.01118	1.3
153.01927	2.2
153.12848	3.1
155.10799	3.5
168.78075	0.5
169.12326	2.3
173.04526	0.7
178.02724	0.8
181.15947	1.2
193.05104	0.6
193.16032	1.0
197.15427	1.6
199.13412	8.0
201.11401	0.9
209.15421	1.3
211.17010	1.7
219.17389	0.6
227.16376	1.1
235.17102	0.7
237.18689	1.1
239.20291	0.6
240.93301	0.5
241.18018	0.8
253.18118	1.7
255.19698	7.6
257.21246	1.1
271.19113	4.4
273.20837	1.9
274.10828	1.6
301.20206	25.1
302.20593	2.1
319.21246	100.0
320.21582	10.5
343.17633	1.6
361.18549	28.3
361.22366	60.5
362.18832	3.5
362.22699	7.1
369.09952	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.2
60.66221	1.3
61.98831	2.6
69.81895	4.9
69.82315	3.2
99.92565	2.0
136.05357	1.9
149.02440	18.0
150.03261	2.4
151.04008	15.5
151.07608	1.3
153.01935	16.5
154.02670	2.4
164.04791	62.9
165.01926	3.0
165.05489	6.3
166.02725	6.2
166.06267	2.2
168.04280	22.8
169.05019	2.6
179.03519	39.6
179.07133	100.0
180.04103	5.0
180.07584	7.7
181.05099	3.7
194.05830	7.6
195.06638	40.1
224.06873	21.6
225.07553	4.1
303.51160	1.3
317.95309	1.3
361.20120	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	361.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	95.0
69.50420	11.4
85.44849	1.5
92.46632	1.6
98.20626	3.4
161.06297	1.6
165.09796	1.6
177.15518	1.6
217.07195	37.9
218.07544	3.1
251.01398	1.6
285.13470	13.2
286.13599	1.9
301.16614	100.0
302.16733	18.7
331.77536	1.5
351.71912	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	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
56.04815	0.5
57.03450	2.3
58.00590	0.5
59.01381	24.4
63.62997	0.4
66.59038	0.4
69.03455	0.6
69.21050	4.0
71.01381	16.7
71.05012	1.3
72.99293	1.0
73.02941	6.0
81.81358	0.4
83.01377	2.6
83.05032	0.7
85.02942	5.0
87.00867	1.6
87.04517	1.9
89.02446	4.1
95.01395	1.0
97.06570	0.9
99.00849	1.0
101.02444	7.9
111.00888	1.0
113.02448	3.5
119.03469	1.1
124.08584	0.4
125.02372	0.8
135.15222	0.4
139.11249	1.4
153.12814	1.6
155.10736	0.9
169.12312	0.9
181.12340	2.1
193.56801	0.5
199.13391	15.5
200.13704	1.1
211.17000	0.5
253.18144	0.6
255.19676	1.7
271.19046	0.6
301.20206	6.6
302.20886	0.5
304.99182	0.4
319.21225	23.2
320.21616	2.6
343.17700	3.3
361.18604	100.0
361.22385	12.5
362.18933	12.2
362.22766	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	361.1656
Annotation	3,4,5,3',4',5'-Hexamethoxybibenzyl
Peak:m/z	Relative Intensity
59.01375	3.3
61.98832	6.4
65.27007	1.2
71.54244	1.6
83.01397	5.6
88.01147	1.2
89.28273	1.1
113.06102	7.6
121.06595	5.0
121.77340	1.1
130.96191	1.3
135.08205	1.2
137.02446	6.5
138.03287	1.2
139.04024	1.6
145.06641	1.3
147.08189	3.9
151.04008	2.2
163.00357	1.2
166.02644	7.6
167.03429	2.1
173.05981	1.6
179.03496	55.8
180.04114	5.4
186.15051	1.4
187.07573	1.3
189.09238	8.8
191.03453	9.8
191.07176	2.2
193.05016	3.7
200.19534	1.3
217.05042	2.5
219.06589	14.7
219.93694	1.3
220.07062	1.5
224.06964	1.4
231.06665	1.4
233.08174	60.7
234.08577	5.4
247.09679	1.3
259.09811	2.1
277.04037	1.9
329.13934	14.4
330.14301	1.6
361.13373	7.1
361.16660	100.0
362.13254	2.3
362.17023	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	361.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.1
59.01382	22.1
60.66095	0.7
61.62539	0.6
61.98836	0.8
68.99840	0.9
69.03474	1.2
69.20023	6.5
70.05304	0.6
71.01382	9.2
71.05022	5.1
72.99303	7.9
73.02949	11.9
73.03352	0.7
75.00873	20.2
75.70997	0.7
79.95734	7.5
80.96525	1.3
81.03452	4.6
81.95318	1.0
83.01401	0.9
84.45171	0.6
85.02946	7.3
85.06577	1.2
87.00874	2.2
87.04522	1.8
89.02451	1.9
89.80505	0.7
90.78673	0.7
91.27031	0.6
95.95244	1.4
96.96017	10.3
97.02978	1.2
98.95634	1.0
99.00865	3.4
99.04508	5.6
99.08155	1.0
101.02447	1.2
111.00886	9.8
111.08165	0.9
113.02459	1.2
115.04022	1.7
129.01971	1.8
129.09213	2.5
133.02951	0.8
135.04507	1.5
137.09721	8.2
138.97118	1.0
139.04079	0.9
143.03487	7.5
144.45401	0.6
153.09216	1.1
154.99854	1.7
155.10783	100.0
156.11087	5.7
159.03006	2.8
161.02440	2.3
161.04547	15.2
162.04877	0.7
165.12857	2.0
169.12326	1.4
173.00887	3.5
175.04042	1.0
179.05612	24.7
179.07178	1.2
181.12314	1.6
191.01945	0.8
199.09752	32.0
199.11627	1.5
199.13548	1.1
200.10144	1.6
208.00089	1.0
209.03018	1.2
227.03619	0.7
255.19638	2.2
256.99701	2.4
257.21243	4.0
258.00208	0.8
301.20178	10.5
302.20563	1.1
319.21243	42.5
320.21634	5.3
360.60049	10.2
361.10037	6.8
361.14972	51.1
361.22202	24.7
361.59918	1.7
362.15344	6.7
362.22485	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	361.1503
Annotation	[3R-(3alpha,3aalpha,4beta,5alpha,6aalpha)]-3-[(beta-D-Gulucopyranosyloxy)methyl]hexsahydro-4-(hydroxymethyl)-5-methyl-2H-cyclopenta[b]furan-2-one
Peak:m/z	Relative Intensity
57.03455	4.0
59.01378	26.7
61.98812	0.9
69.03465	1.3
70.91424	0.8
70.91742	1.8
71.01379	8.9
71.05028	6.5
72.99306	6.9
73.02943	12.1
75.00870	22.8
79.95735	8.6
80.96510	2.3
81.03458	5.1
81.95287	1.0
83.01370	1.2
85.02955	9.1
85.06573	1.9
87.00882	1.8
87.04532	1.1
89.02455	2.7
94.14166	0.9
95.95271	1.1
96.96011	9.5
98.95573	1.8
99.00881	3.1
99.04524	6.2
101.02428	1.4
109.02927	1.9
111.00868	14.4
111.08170	1.2
112.01289	0.9
115.04013	1.7
123.08215	1.2
129.01915	2.6
129.09213	1.5
133.02895	1.2
135.04544	1.2
137.09727	7.4
143.03506	6.7
151.94577	1.0
153.01892	2.2
153.09174	0.9
154.99875	1.6
155.10779	100.0
156.11136	4.9
159.02948	3.1
160.01709	1.2
161.02388	2.3
161.04555	17.6
165.12842	2.4
173.00900	6.8
175.03961	1.8
179.05606	24.9
181.12312	1.2
199.09746	36.4
200.10081	2.6
201.11377	1.0
208.00131	0.9
221.86000	0.8
238.98640	1.6
239.06833	0.7
255.19565	2.7
256.99872	1.6
257.21173	3.0
273.20624	1.0
301.20255	12.2
319.21231	53.5
320.21567	5.1
360.60007	11.2
361.10001	6.4
361.14993	56.8
361.22238	32.5
361.60095	1.2
362.15396	5.6
362.22638	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	361.1506
Annotation	[3R-(3alpha,3aalpha,4beta,5alpha,6aalpha)]-4-[(beta-D-Gulucopyranosyloxy)methyl]hexsahydro-3-(hydroxymethyl)-5-methyl-2H-cyclopenta[b]furan-2-one
Peak:m/z	Relative Intensity
53.19035	0.8
55.01873	1.2
57.03450	6.0
58.00585	1.1
59.01384	17.3
59.95635	0.8
67.51052	1.1
69.03458	5.7
69.54959	2.3
69.55376	4.4
71.01382	32.8
71.05006	1.5
72.99301	4.0
73.02955	1.3
75.00875	34.4
85.02956	12.2
85.19957	1.0
87.00884	10.1
89.02444	4.3
93.03472	2.8
97.02976	2.6
99.00895	7.7
101.02468	2.5
109.02901	1.2
111.00828	2.4
113.02469	2.5
120.61614	0.9
125.02558	0.9
129.01944	13.4
131.03539	10.4
133.02997	1.1
139.11313	6.0
141.01903	1.4
155.10721	1.3
159.03003	5.3
161.04634	1.2
165.05559	1.0
173.04593	5.2
175.02457	1.3
177.04057	46.3
178.04390	2.8
183.10263	21.1
195.05090	1.4
199.09793	1.2
229.23126	1.0
235.57063	0.9
245.97282	1.2
271.17419	0.9
271.51230	0.9
319.20267	1.9
325.12900	2.7
361.15118	100.0
362.15475	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	361.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	12.8
59.01381	97.8
63.30266	11.4
69.36446	100.0
71.01368	19.8
72.14468	11.7
83.05007	16.1
104.91898	11.3
114.54730	11.2
141.95477	11.5
173.55484	12.6
176.54225	16.1
191.05536	14.7
209.11887	24.7
283.62552	12.2
301.20193	44.6
319.21280	92.0
331.85596	13.9
361.22586	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1504
Annotation	Gibboside
Peak:m/z	Relative Intensity
57.03426	1.7
58.00578	1.0
58.87581	0.9
59.01378	25.0
59.29787	0.7
64.47884	0.8
69.03464	1.0
71.01386	7.9
71.05021	0.8
71.54565	1.2
72.99288	1.1
73.02927	3.4
77.45150	0.8
83.01402	1.6
85.02954	3.2
87.04507	1.2
89.02449	9.0
89.13075	0.8
93.03442	3.2
95.01379	1.9
95.65418	0.7
97.06577	0.9
99.23622	0.8
101.02444	4.6
108.08260	0.9
111.04532	1.6
111.08160	1.1
113.02464	5.1
113.34167	0.8
115.07647	2.2
119.03484	3.1
119.05004	1.1
125.02398	1.5
135.08159	2.7
137.02429	2.0
137.09717	30.6
138.10022	2.6
148.04050	1.3
155.10774	100.0
156.11108	5.3
161.04613	1.0
161.07217	2.2
163.03944	1.1
173.04597	1.1
178.08549	0.9
179.05571	1.6
179.10756	2.4
181.08768	1.6
191.05536	1.1
199.09746	85.3
200.10196	4.7
223.09790	4.8
224.10327	1.0
241.10782	1.1
243.12161	1.1
257.21075	1.0
266.76892	0.8
289.11807	3.6
301.20203	6.1
319.21207	20.5
320.21240	2.1
341.12189	2.3
350.37769	1.0
361.12976	3.7
361.16708	1.5
361.22260	12.7
362.13000	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17648	2.4
56.25619	2.2
59.01363	5.7
61.98841	20.1
70.96362	4.3
71.01381	3.4
73.22646	2.2
86.95377	2.2
89.02473	3.1
100.60860	2.4
101.02380	2.8
113.02413	2.8
119.05024	78.8
120.05375	4.1
137.02431	10.5
137.06076	12.2
137.16681	2.4
139.04001	8.9
148.87486	2.4
150.77037	2.4
163.04015	100.0
164.04314	5.4
199.06265	2.9
325.09271	4.1
352.50558	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	361.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	27.3
61.98840	85.3
71.01389	32.0
71.53207	16.6
78.95899	11.3
81.12058	9.5
85.02962	22.8
89.02475	34.6
89.28075	9.8
101.02474	17.5
103.02094	9.1
112.44612	8.8
113.02453	10.6
125.02460	19.5
143.03473	11.7
145.05035	11.6
151.04036	18.2
159.49870	9.5
161.04637	10.4
163.06146	14.1
164.98355	9.7
170.96101	9.7
179.05608	43.4
182.99318	18.5
221.06619	10.3
239.23865	10.2
325.11319	14.0
361.08920	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	359.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16566	0.5
59.01379	22.9
61.98816	2.2
65.31511	0.6
69.50559	3.5
97.64800	0.5
103.48885	0.5
156.15955	0.6
174.51932	0.6
277.21722	100.0
278.22083	10.5
359.22034	24.3
360.22339	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	360.145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24371	0.8
59.01388	1.3
61.98830	100.0
71.54259	0.9
85.49328	0.6
297.14993	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	360.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.4
59.75476	5.3
61.98836	100.0
69.31992	17.9
69.32419	31.7
128.88615	6.3
189.89818	6.0
190.33092	6.0
244.57275	7.3
280.23688	5.6
288.05371	11.1
367.58231	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	359.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12913	0.6
57.03433	2.2
59.01382	32.1
67.01888	1.6
69.03452	0.7
69.28879	3.5
69.29305	2.0
71.01385	1.6
71.05029	5.1
72.99277	1.4
73.02953	10.1
83.01333	1.0
83.05013	2.2
85.02952	13.5
87.04027	0.9
87.04514	11.9
90.39198	0.7
90.71557	0.6
97.06567	4.9
99.04514	0.8
101.02432	0.6
101.06084	5.5
109.06586	2.4
111.00882	42.3
112.01182	1.0
112.11510	0.6
115.07643	1.6
119.95063	0.7
123.08208	0.7
125.06087	1.4
125.09693	2.5
127.07635	2.5
129.01933	1.6
145.08714	12.1
154.99847	4.5
155.10803	0.9
159.10205	1.0
173.00905	16.2
174.01270	0.9
177.12755	0.8
180.88757	0.7
185.11777	1.1
200.32813	0.7
243.12305	1.2
253.18224	0.9
271.19324	1.0
299.18619	22.0
300.18930	1.6
317.19678	100.0
318.19968	10.0
359.20749	52.3
360.21127	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	359.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47466	0.5
57.03445	6.4
59.01379	30.1
60.74104	0.5
69.03455	2.2
71.01395	1.4
71.05021	5.2
71.54395	0.9
72.99312	1.6
81.03477	0.6
83.05035	2.0
85.02953	1.7
85.06566	3.0
87.04549	0.5
93.03490	0.7
97.06578	3.7
99.04520	1.6
101.06068	6.3
109.02971	0.5
109.06599	2.7
111.04530	0.9
111.08213	0.9
113.06088	1.6
115.07645	11.6
121.10233	2.3
123.00850	0.6
123.04408	0.7
123.08096	1.1
125.02439	1.6
125.09715	2.1
135.04503	0.7
137.09698	1.9
143.07144	1.1
147.04485	0.8
153.01898	1.3
153.09250	1.1
155.10815	1.4
159.04469	0.9
160.05269	1.1
161.06090	2.2
162.03207	0.9
163.04031	1.2
167.03439	0.8
172.05292	8.5
173.05869	0.6
173.11823	11.9
174.03229	1.3
175.07730	0.6
175.14915	0.7
177.05551	1.3
178.06294	1.2
181.01521	1.3
182.02208	9.3
187.07613	5.8
189.05522	1.4
190.06400	3.6
191.07018	1.9
193.05009	1.0
195.02991	2.6
197.04538	6.3
198.04962	0.6
205.08684	2.7
237.18570	0.7
253.18121	0.7
268.82990	0.7
299.18600	25.7
300.19025	2.3
311.12802	0.8
317.19672	100.0
318.20032	11.1
323.12900	0.9
329.13986	4.6
341.13898	8.4
342.14151	1.7
359.10223	3.1
359.15222	3.7
359.20731	38.6
360.21054	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	359.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31771	0.8
57.70887	0.9
59.01379	1.4
61.98838	4.2
70.11198	1.0
71.54572	1.4
73.02953	1.1
79.07611	0.8
79.17383	1.1
85.02940	1.8
97.29001	0.9
134.03746	24.1
135.04541	7.2
147.00864	1.9
149.02428	2.5
149.06094	8.3
151.00270	1.0
151.03995	6.1
153.01947	2.8
159.31194	0.9
162.03226	22.5
162.95204	1.0
163.03996	10.1
166.02711	45.5
167.03062	2.1
167.61259	0.9
177.05577	21.3
177.07117	1.4
178.06032	1.2
179.03383	1.2
180.00653	1.0
181.05081	6.9
183.06628	38.3
184.06990	2.0
194.05807	2.6
209.04428	2.2
222.05334	100.0
223.05675	7.9
247.78802	1.0
285.14783	1.0
300.17346	1.2
315.19647	2.3
344.05368	1.8
352.52237	0.9
359.07492	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
60.32600	0.6
61.98830	100.0
70.39109	1.2
70.39465	0.9
77.94338	0.5
78.95926	0.5
86.97636	0.5
95.33823	0.4
100.92946	0.5
104.02181	0.5
113.92638	1.3
114.93430	4.6
130.04253	1.0
180.97768	0.9
186.03340	0.7
203.03552	2.2
241.01335	0.7
242.02225	0.5
258.01770	1.1
286.01193	17.6
287.01746	1.6
287.05667	0.8
301.03540	8.2
302.03870	0.7
314.00821	0.6
329.02997	6.3
329.06439	0.7
344.05374	15.0
345.05792	1.5
359.07733	11.4
360.11624	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76378	0.8
57.03459	1.3
58.29712	0.6
59.01382	100.0
59.61226	0.7
60.01714	0.8
69.34814	5.9
70.53674	0.7
71.01386	6.4
72.03964	0.6
73.02950	1.9
83.01393	1.0
85.02963	7.4
89.02488	0.8
95.01395	1.4
98.19940	1.4
99.00895	0.8
101.02440	4.2
106.04295	1.1
113.02480	4.1
114.81214	0.7
119.05045	1.2
123.00870	8.9
123.04566	1.5
137.06087	55.0
137.31134	0.7
138.03226	9.7
138.04176	0.8
138.06409	3.8
140.01169	0.7
147.02994	0.6
153.05608	5.1
155.03528	1.5
158.73524	0.9
159.03049	1.5
161.04558	11.4
166.99884	2.2
182.02214	7.1
191.01918	1.1
197.04549	22.4
209.03050	0.9
287.72952	0.7
299.11426	2.2
300.48724	0.9
359.10141	2.5
365.61032	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.2
59.01371	7.1
60.21962	0.8
60.40123	0.8
61.98824	1.8
71.01385	2.4
71.54292	1.8
85.02942	6.8
85.06615	1.1
87.00876	5.5
92.48623	0.9
125.09731	0.8
133.10237	1.3
141.23724	0.9
147.11803	0.8
148.49644	0.8
163.03989	1.0
165.12816	1.2
165.99013	1.2
167.44563	0.8
170.91827	0.9
175.14920	9.0
181.12492	1.0
185.10072	1.5
185.11760	1.7
186.10426	1.2
191.01938	1.2
193.15913	3.0
219.13902	9.2
227.14790	1.3
237.14952	36.0
238.15315	2.3
253.12686	2.3
258.93912	0.9
271.13736	58.9
272.14056	5.9
283.02435	0.9
299.18484	1.4
315.04959	5.0
317.19543	5.1
329.03036	1.2
341.14252	1.1
344.05383	2.7
359.15323	100.0
359.20227	3.4
360.15640	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	359.1247
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
57.03447	4.6
57.71563	1.3
58.45184	1.1
59.01377	39.9
61.01853	1.2
61.98820	3.8
62.67632	1.3
63.30830	1.3
67.45358	1.2
71.01382	14.0
72.00916	7.5
72.99326	3.7
73.02973	1.9
73.30010	1.2
74.02485	2.5
74.25806	1.2
75.00893	1.9
82.81600	1.3
83.01386	2.7
84.78236	1.4
85.02949	40.4
87.00887	2.7
89.02445	15.5
93.03474	3.1
99.00897	1.2
101.02428	7.7
109.32934	1.3
111.00896	2.4
113.02482	5.2
119.03525	5.0
119.05052	2.3
121.02958	2.1
123.00923	4.1
123.04578	2.4
125.02435	3.2
128.03624	1.5
129.01967	2.6
135.04532	11.6
137.02473	5.0
137.06105	6.5
138.03250	2.3
139.04092	2.0
147.03035	4.5
153.01984	5.3
153.05621	4.4
158.80180	1.5
160.04068	2.8
161.04501	2.5
164.04778	2.7
166.99908	1.8
167.03540	2.0
179.03566	2.2
179.05704	2.2
182.02286	5.5
191.01974	9.3
191.05684	5.2
193.06593	6.0
197.04552	17.1
197.06194	1.7
197.09464	3.3
207.08212	4.8
209.03049	4.9
209.06099	2.9
211.07780	3.5
219.08163	13.2
222.09279	1.5
223.07605	6.3
224.08455	4.7
225.09305	4.5
234.09229	2.8
235.07675	1.7
237.05719	1.7
237.09171	30.0
238.09586	4.0
239.05714	5.1
240.10335	2.8
241.11313	1.5
252.10301	8.1
254.08423	3.9
254.11757	9.0
256.07416	7.2
257.08020	1.8
263.07245	9.3
267.09094	1.9
268.09927	3.3
273.10010	1.6
280.09741	7.7
281.08112	13.2
282.08670	1.8
296.09308	2.0
297.12762	1.5
298.10840	11.6
299.08313	2.0
299.11630	3.4
300.06296	2.3
313.11874	7.9
314.10196	1.6
315.16769	2.1
317.09262	3.0
324.08789	7.0
341.11377	40.1
342.10382	4.6
359.12680	100.0
360.12988	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	359.0982
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
52.33527	0.5
53.42237	0.6
59.01378	19.0
70.21854	1.9
71.01385	1.2
72.26324	0.6
79.74149	0.5
85.02932	1.8
93.03433	0.9
113.02431	0.8
123.00838	3.5
125.02450	1.1
132.02930	0.7
135.02954	1.3
139.00369	1.6
153.01901	0.8
166.99849	12.0
173.04471	0.8
181.01372	2.7
182.02202	87.6
183.02556	4.9
191.05585	6.7
192.05975	0.8
196.03728	1.4
197.04538	100.0
198.04866	5.8
359.09784	16.1
359.20856	0.9
359.25253	1.1
360.10303	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	359.0984
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.01865	2.1
57.03440	2.7
58.00582	3.4
59.01382	89.4
60.01702	2.0
60.11662	1.4
71.01385	44.7
72.99290	2.7
73.02962	2.0
83.01383	2.5
85.02953	11.6
87.00874	1.6
89.02443	36.6
91.85949	1.1
95.01382	2.7
96.26514	1.3
96.96024	4.1
97.03012	1.6
98.19931	2.3
101.01803	1.8
101.02442	24.4
109.02937	1.9
113.02465	16.7
116.28434	1.2
119.03521	14.6
119.05012	5.1
121.02954	7.7
123.00894	3.8
125.02427	1.2
137.02444	4.6
137.06114	1.5
138.03256	3.5
139.00417	2.0
139.04022	2.1
143.03474	2.7
153.05577	10.0
165.01944	1.5
166.99857	2.9
179.05630	2.7
180.04262	2.1
181.01433	6.3
182.02231	6.5
183.02855	1.8
195.06580	2.2
196.03758	5.3
197.04558	48.0
198.04890	2.5
207.10248	1.3
211.06100	8.6
224.03310	4.4
239.05623	32.3
240.05881	1.7
249.43381	1.2
269.06659	3.4
270.28342	1.2
299.07785	5.0
299.11365	7.0
344.07526	3.5
359.09845	100.0
360.10239	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	359.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32721	1.2
59.01395	2.7
61.98821	2.6
64.76261	1.1
65.00317	5.1
78.39622	1.0
83.07576	1.0
93.03457	1.1
96.99294	1.7
102.19524	1.9
110.00128	4.0
122.93958	1.4
136.98801	11.0
137.99634	1.9
140.75662	1.2
151.04018	1.4
153.01944	8.1
164.98296	17.5
165.99043	9.4
180.00665	1.3
181.01407	8.5
186.03242	2.0
189.02054	1.4
198.03247	2.5
200.09236	1.2
201.05515	7.4
203.03496	1.8
209.00934	3.5
213.05577	1.8
214.02693	3.3
229.01649	1.5
229.05099	8.0
242.02196	4.0
245.04552	11.2
256.03720	2.9
257.04636	6.9
258.01822	1.8
258.04898	1.5
270.01685	2.2
273.04053	47.8
274.04379	3.0
285.03998	4.0
288.06442	18.3
289.06775	1.7
300.06357	3.5
301.03525	100.0
302.03839	10.3
303.08737	26.2
304.09094	1.7
316.05856	43.3
317.06277	4.2
317.28610	1.3
331.08221	79.6
332.08640	10.4
344.05380	2.5
350.46747	1.3
359.07333	1.8
363.62827	1.5
370.71649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
61.98817	0.9
62.21016	0.4
65.00325	3.1
72.05648	0.3
72.99292	0.3
84.10639	0.4
85.02943	2.0
92.99800	0.6
96.99284	1.1
98.20698	1.2
105.16062	0.3
110.00082	10.5
117.17413	0.3
120.99303	0.6
121.02923	0.4
124.98807	0.4
125.02396	0.4
131.03539	0.3
135.04533	0.4
136.98792	3.6
137.99568	3.2
141.99045	0.5
142.38231	0.4
147.02939	0.4
148.01657	4.5
149.99583	1.6
151.00381	0.7
153.05576	4.4
158.03766	0.6
161.02428	0.7
161.05980	0.4
163.03996	7.7
164.04314	0.5
164.96918	0.7
164.98276	14.3
165.99057	15.4
166.99443	0.8
170.03644	0.9
174.03276	0.4
175.00223	0.4
177.99046	1.9
178.99846	1.0
179.03525	0.5
185.11903	0.4
186.03288	1.7
188.01117	0.4
191.01973	0.5
198.03215	1.2
201.05762	0.4
202.02756	2.0
203.03423	1.1
205.98511	1.1
213.01825	0.5
213.05544	0.8
214.02718	3.6
226.02612	0.7
229.05020	0.9
229.85426	0.5
230.02132	2.5
231.02850	0.7
233.04707	0.6
241.01416	0.6
242.02179	5.0
245.04543	1.4
254.02226	0.7
255.02754	0.5
257.04401	1.8
258.01648	8.0
259.02368	1.4
270.01712	4.7
271.02106	0.4
273.04059	2.0
283.02628	0.4
285.04004	2.5
286.01184	7.9
287.01538	0.8
287.05795	0.5
301.03522	7.9
302.03952	0.5
314.00644	4.0
315.00922	0.4
317.19717	1.6
326.50278	0.4
329.02997	58.7
330.03342	6.2
344.05328	100.0
345.01462	0.4
345.05673	11.4
359.07693	33.8
359.20758	1.0
360.08011	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.8
61.98835	0.8
65.00324	4.3
66.01147	0.4
68.99807	0.6
70.58585	0.8
79.01926	0.3
85.02996	0.4
92.99843	1.0
95.01375	0.5
96.99321	1.4
107.01392	0.6
110.00097	15.3
114.53673	0.3
120.02119	0.3
120.99331	0.7
122.00097	0.3
123.00890	0.4
135.00917	0.3
136.98796	5.1
137.02422	0.6
137.99611	5.0
139.00223	0.3
141.99060	0.8
148.01643	5.4
149.99571	3.2
151.00337	0.5
153.05582	5.6
158.03766	0.5
163.04012	11.2
164.98288	21.1
165.99069	23.5
166.99454	0.9
170.03769	1.1
172.01624	0.3
174.03177	0.4
177.99063	2.9
178.99821	1.1
185.06088	0.4
186.03256	1.9
188.01173	0.3
189.05536	0.4
198.03192	1.3
199.03943	0.3
201.05673	0.3
202.02795	1.9
203.03558	1.8
205.98618	1.8
213.01917	0.6
213.05421	1.4
214.02684	3.7
215.03140	0.3
216.00645	0.4
218.02222	0.3
226.02675	1.2
227.03441	0.6
229.01457	0.3
229.04950	1.5
230.02194	2.7
231.02895	1.3
233.04555	0.5
241.01485	0.3
242.02188	7.8
243.02670	0.5
244.00006	0.3
245.04495	1.4
246.05225	0.9
247.36382	0.3
254.02126	0.9
255.02675	0.4
255.78650	0.3
257.04581	3.5
258.01682	6.1
259.02319	2.0
269.00946	0.3
270.01682	4.1
271.02301	0.5
273.04059	2.8
283.02499	0.8
284.03076	0.5
285.03986	2.7
286.01163	7.6
286.03754	0.3
287.01651	0.5
288.06305	0.3
299.05560	0.7
300.02701	0.7
301.03540	6.4
302.04166	0.5
314.00671	5.8
315.01105	0.4
318.64056	0.3
328.02408	0.4
329.03012	82.7
330.03339	8.2
343.04517	0.5
344.05341	100.0
345.05676	11.4
359.07697	82.8
360.08044	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	359.077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08754	1.1
59.01359	3.8
61.29961	0.8
61.98815	1.5
70.36286	3.2
83.04985	0.9
93.03487	1.2
100.66814	0.9
114.97903	0.9
119.33583	0.9
121.02923	1.1
121.71789	0.9
139.03986	2.7
147.00764	1.0
147.04504	2.0
149.02426	7.9
149.99622	1.3
150.50017	0.9
153.01920	2.4
164.07146	2.7
164.98235	1.6
165.97604	0.9
170.03712	1.8
172.01637	2.8
175.00298	4.6
186.03282	2.2
190.02609	1.2
198.03207	2.0
201.01979	1.1
202.02734	8.8
213.01706	1.3
214.02640	4.4
225.02185	1.0
229.01379	1.0
230.02161	7.9
241.01115	1.1
242.02205	6.8
246.72084	0.9
257.00827	3.0
258.01688	15.6
259.02051	2.5
269.00720	1.1
270.01657	4.2
285.00342	2.7
286.01163	33.0
287.01434	2.8
297.00516	1.6
301.03513	10.4
313.97028	2.2
314.00653	34.7
315.00934	4.4
329.02982	67.4
330.03253	8.2
344.05316	100.0
345.05740	11.4
359.07651	32.9
359.27609	1.3
360.07831	3.7
360.21808	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	359.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
60.17745	0.3
60.80029	0.3
61.98833	0.7
65.00317	2.5
68.99804	0.4
72.99321	0.4
85.02949	0.8
92.99819	0.7
96.99313	0.8
98.19823	0.6
107.01452	0.4
110.00098	11.0
111.00373	0.4
118.20727	0.4
120.99255	0.5
136.98824	2.8
137.99590	2.7
148.01672	4.8
149.02368	1.1
149.99588	1.9
153.01979	0.7
153.05586	5.6
154.05977	0.4
158.03670	0.5
161.02501	0.5
163.02739	0.7
163.04010	8.6
164.98296	12.3
165.99066	16.0
166.99463	0.7
170.03700	0.5
174.03249	0.7
175.00317	1.1
177.99057	1.7
178.99799	1.6
186.03214	2.2
198.03198	1.2
201.01965	0.5
202.02673	3.0
203.03418	1.3
204.32758	0.4
205.98587	1.1
213.01892	0.8
213.05547	0.7
214.02707	3.3
226.02692	1.1
229.01346	0.5
229.05052	0.8
230.02194	6.1
231.02815	1.0
242.02182	6.4
243.02498	0.8
244.00146	0.4
245.04482	1.0
254.02225	0.8
257.04517	2.2
258.01675	14.2
259.02240	2.1
264.07202	0.5
270.01639	6.1
271.02289	0.8
273.03934	2.4
283.02350	0.5
284.03241	0.5
285.03934	1.8
286.01187	17.1
287.01544	2.1
298.01291	0.5
301.03513	19.3
302.03690	2.0
314.00723	3.4
325.61142	0.5
329.02997	75.7
330.03351	8.4
344.05331	100.0
345.05676	10.6
359.07693	48.3
360.08047	6.7
383.61298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20939	0.6
55.01878	2.8
57.03453	13.7
59.01383	7.1
61.98809	1.1
68.99813	1.1
71.01392	5.4
71.28367	1.0
71.28705	1.0
72.99307	2.5
73.02975	0.8
75.00857	1.8
83.01368	3.7
84.02162	2.0
85.02953	100.0
86.03282	3.6
87.00856	1.5
92.69580	0.7
99.00838	0.9
101.02434	2.2
103.00367	1.6
108.02114	0.7
110.61104	0.7
111.00874	4.2
115.00382	1.5
123.00868	3.6
123.04527	2.2
125.02460	1.1
129.01942	8.5
138.03224	4.6
140.01222	1.0
147.02994	15.6
148.03374	0.9
152.01234	0.9
153.01949	1.8
153.05569	1.3
155.03473	3.1
166.99901	0.8
167.03491	4.9
173.00882	2.1
182.02200	3.3
191.01974	25.5
191.05621	1.1
197.04553	9.1
209.03035	16.1
341.05142	1.2
359.06088	3.9
359.10086	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	359.0773
Annotation	5,7,3'-Trihydroxy-2',4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
52.10089	1.1
59.01387	2.0
61.98835	5.8
65.00329	5.8
69.15651	1.0
69.98945	5.0
85.02984	2.0
92.99880	1.2
93.01834	0.9
94.13859	0.9
96.99320	2.1
99.68522	0.9
102.14723	1.1
110.00117	3.5
112.00945	1.0
120.99263	1.1
125.02399	1.2
136.98831	11.9
136.99786	1.7
137.99651	1.0
148.98851	1.3
151.04024	1.5
153.01933	8.8
158.03743	1.5
164.98308	17.7
165.99094	9.3
170.03674	1.1
180.00632	1.5
181.01440	7.6
186.03233	2.0
189.92998	2.4
198.03206	2.7
201.05588	7.1
203.03430	1.8
209.00966	2.7
213.05513	1.8
214.02708	2.5
229.05040	7.2
230.02200	1.6
233.04709	1.4
242.02252	3.7
243.47852	1.1
245.04520	11.6
257.04584	4.9
258.01840	2.0
258.04874	1.2
270.01767	2.8
271.06229	2.6
273.04056	43.6
274.04510	3.3
285.04056	4.0
286.01224	1.4
288.06415	16.2
289.06601	1.1
300.06400	2.6
301.03534	100.0
302.03809	7.9
303.08743	25.8
304.09070	1.9
314.00754	1.7
316.05865	39.7
317.06268	3.8
329.03177	1.3
331.08221	66.0
332.08585	8.0
344.05392	3.6
359.07571	2.2
360.08521	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
57.03441	13.0
59.01375	23.9
61.98827	5.3
62.88619	0.8
68.99811	1.2
69.78830	3.8
71.01383	7.9
72.00906	1.6
72.99308	3.9
73.39706	0.7
74.02470	0.9
75.00860	1.5
83.01378	3.8
84.02144	1.8
85.02947	100.0
86.03300	2.0
87.00871	2.8
89.02425	5.4
91.01884	0.9
93.03462	2.0
101.02449	4.3
103.00365	2.2
109.02927	1.9
111.00867	4.5
113.02438	3.5
113.10113	0.8
114.76671	0.7
115.00385	1.0
119.03572	1.7
119.04956	0.9
121.02924	1.0
123.00853	2.2
123.04530	2.2
125.02451	1.3
128.09827	0.9
129.01938	9.0
132.19354	0.8
135.04524	5.0
137.02428	2.9
137.06053	5.5
138.03275	1.8
145.16919	0.8
147.02986	14.3
150.03192	1.0
151.04037	0.9
153.01952	3.2
153.05542	1.5
160.04019	0.8
161.04485	1.7
166.05949	0.9
167.03462	5.3
173.00916	1.8
179.03468	2.5
179.05487	0.8
182.02180	2.9
191.01971	23.6
191.05605	3.2
197.04538	9.5
197.09451	1.2
209.03003	12.7
211.05966	0.8
219.08168	2.2
224.08374	1.0
225.09238	1.3
235.99976	0.7
237.09216	4.5
238.09572	0.9
239.05672	1.1
254.11891	1.8
256.07568	1.5
263.07129	1.5
280.09839	1.3
281.08246	2.1
298.10806	1.2
299.11359	0.9
313.11884	1.5
315.16867	0.8
324.08578	1.3
329.08832	1.1
341.11368	5.3
359.05902	2.2
359.09302	3.9
359.13287	12.1
360.12854	2.0
362.13187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.0
57.03450	12.3
59.01379	12.1
60.17916	0.6
67.97475	0.7
68.99815	1.4
69.58827	2.1
69.59236	1.8
71.01393	6.0
72.99296	2.5
73.02940	1.2
75.00874	3.0
81.66628	0.7
83.01404	3.8
84.02164	2.3
85.02952	100.0
86.03305	2.0
87.00871	1.8
89.02447	1.9
91.01899	1.0
96.96993	0.7
99.00867	0.8
101.02456	2.1
103.00375	1.9
111.00870	7.8
115.00398	1.3
123.00871	1.3
123.04518	1.9
129.01942	7.1
132.71719	0.8
133.01407	1.0
137.06090	2.0
138.03224	2.8
146.86635	0.7
147.03009	13.1
153.05612	1.6
155.03520	0.6
167.03494	5.7
173.00914	2.7
182.02223	1.3
191.00255	1.2
191.01996	24.5
192.02316	1.0
197.04594	3.8
209.03044	17.4
223.31537	0.6
235.06116	0.9
335.90485	0.6
359.06195	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88565	0.6
59.01377	77.0
60.01703	1.2
69.98597	1.8
77.17883	0.6
83.13325	0.6
90.97127	0.7
95.93980	0.6
98.20732	0.9
113.29108	0.6
132.98206	1.6
157.03545	2.6
159.01477	0.9
161.50597	0.7
174.99231	19.6
201.00655	1.3
201.02544	23.6
202.02695	2.3
211.93735	0.8
217.00287	100.0
218.00575	3.3
256.87692	4.0
261.84344	0.7
274.88715	4.3
275.88931	0.8
289.87360	1.3
298.88733	3.1
309.80576	0.7
316.89774	7.2
317.89963	1.9
359.01410	4.6
360.01895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49241	0.5
57.03445	4.0
59.01375	9.6
60.48630	0.5
61.98831	3.3
63.02383	0.6
64.11598	0.7
65.00323	2.8
66.70905	0.6
67.01883	2.5
68.99809	3.7
69.94733	2.3
71.01390	3.1
73.02972	0.7
74.02459	0.7
78.80679	0.6
81.03449	2.4
83.01383	17.2
85.02955	6.9
87.00849	0.5
89.02438	2.5
91.01865	0.7
93.03464	2.0
97.02950	0.8
101.02427	1.5
107.01389	3.7
109.02951	7.6
111.00884	1.3
113.02425	1.0
119.03520	0.6
121.02946	1.2
123.00894	1.4
123.34483	0.5
125.02445	40.0
126.02793	1.1
129.01945	1.0
134.04698	3.9
135.04527	5.7
137.02457	3.6
137.06073	3.9
138.03229	2.2
139.04037	0.7
147.03008	1.1
149.02423	2.8
151.00365	16.1
152.00867	0.6
153.01930	100.0
154.02277	5.3
161.04558	1.1
167.03462	0.9
177.01884	3.0
178.99858	3.9
182.02248	1.6
191.01927	1.0
191.05634	1.0
195.02998	2.0
197.04532	4.9
209.02991	1.1
217.00267	0.7
239.05597	1.2
257.85959	0.6
279.10455	0.6
287.07797	1.1
297.09680	0.6
315.07239	10.1
316.07718	0.7
335.81754	0.5
341.05035	1.0
352.52228	0.6
359.06061	11.9
359.09946	2.4
360.06631	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86684	4.7
59.01365	9.5
61.98832	100.0
71.54675	7.9
115.55746	4.9
174.18758	5.1
213.24857	5.5
358.13666	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	358.2387
Annotation	Corumdizinine
Peak:m/z	Relative Intensity
61.98823	4.6
64.65250	1.1
70.60416	1.1
70.60741	1.6
88.39420	0.9
98.50829	1.0
110.02480	6.9
121.02966	6.6
123.03241	3.3
129.21138	1.1
135.03249	1.4
136.04001	1.0
138.01945	4.9
139.02750	16.6
152.03568	6.8
164.07173	1.8
166.05061	2.9
178.24768	1.1
179.89616	1.2
180.12202	1.0
204.10176	1.4
220.09731	4.9
220.58775	0.9
221.10443	5.0
308.46588	1.0
315.26898	3.1
344.05188	1.7
358.23862	100.0
359.24203	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	358.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	42.7
60.83984	30.2
61.98823	100.0
71.23502	60.6
110.68067	31.7
110.79760	35.7
137.55325	34.6
195.72876	33.2
221.58504	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22314	0.7
57.03433	2.6
59.01376	15.1
61.98835	0.6
66.62054	0.6
71.01383	2.3
71.05021	1.5
71.20876	1.1
73.02934	1.5
83.05023	0.8
85.02949	2.0
85.06576	0.7
89.20028	0.5
93.03442	0.9
97.06592	1.0
101.02420	1.4
101.06050	1.0
108.08192	100.0
109.06599	1.3
109.08517	3.9
111.08174	0.8
113.02454	1.5
115.07641	3.3
117.05809	0.7
120.08173	3.0
125.09687	1.1
129.09221	0.9
132.08185	1.2
135.02975	0.9
136.01662	5.5
136.03264	0.6
137.01965	2.8
137.09744	0.7
148.07684	2.2
151.03999	6.5
152.04485	4.7
152.07166	72.7
153.07489	3.9
164.07132	1.2
166.07381	1.1
166.08725	15.6
166.10132	0.9
167.08990	0.8
173.04549	0.5
176.07076	0.8
183.11696	0.5
191.05588	1.3
194.08197	10.0
196.06133	57.5
197.06531	3.7
210.07445	0.5
238.07251	9.1
239.07430	0.6
255.19609	0.9
280.08319	0.9
281.17728	0.5
298.09317	5.6
299.09720	1.0
299.18631	7.2
315.18204	0.7
316.18378	1.0
317.19675	34.9
343.11444	1.0
358.11102	9.5
359.11816	1.7
359.16254	1.0
359.20731	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86631	2.3
53.29939	2.1
59.01384	14.2
60.16698	2.3
61.98577	2.7
61.98833	27.3
67.23000	2.4
71.01379	3.5
73.02945	4.0
85.60268	2.8
89.02444	18.5
93.03462	2.6
98.19854	6.0
103.04009	2.8
109.85369	2.3
110.85300	2.5
111.54577	2.2
118.75444	2.5
119.05027	41.9
130.08719	2.9
131.03502	7.9
133.02962	9.3
134.03267	2.7
134.18430	2.4
149.04549	100.0
150.04698	3.0
163.04007	72.7
164.00681	2.5
164.04308	5.4
183.44409	2.2
191.05583	4.4
196.54930	2.2
202.72845	2.4
279.65396	2.6
285.03702	3.4
286.04330	11.2
295.08276	15.3
298.04373	33.2
299.05060	13.5
300.05777	5.3
312.05972	7.5
328.05478	3.4
340.05386	8.2
358.06467	74.0
359.06668	8.9
359.11115	5.6
359.20792	3.8
372.99905	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	358.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	10.6
61.01065	1.8
61.98827	25.2
69.50109	12.3
71.01371	3.6
73.02933	3.7
82.09182	1.8
85.02973	1.8
86.53963	1.7
87.00861	4.6
89.02435	17.1
93.03459	2.4
96.96016	4.5
109.02986	2.6
119.05025	43.7
120.05352	2.2
123.77723	1.8
124.01686	2.2
130.08704	2.3
131.03508	5.7
133.02980	9.6
134.03310	6.1
135.03009	2.2
145.02887	1.8
146.04553	2.8
149.04552	94.2
154.93655	1.6
161.02419	2.3
161.06081	2.5
163.00356	4.0
163.04004	60.0
164.00723	1.9
164.04341	4.2
176.04317	2.8
182.02155	2.3
191.05562	7.5
195.06631	2.4
196.06927	4.1
270.04834	3.2
285.03839	7.7
286.04333	15.6
295.08286	14.2
297.04010	6.6
298.04349	39.8
299.05145	19.6
300.05801	6.3
312.05963	11.5
328.05472	3.6
340.05307	9.9
341.19220	2.4
358.06461	100.0
359.06760	10.2
359.20901	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	357.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.6
59.01386	3.3
59.81832	0.4
61.98825	3.5
67.01894	4.6
68.99809	0.7
69.03464	2.2
69.21452	2.3
69.21854	1.0
71.01380	3.6
71.05029	0.5
81.03468	1.3
83.01382	0.9
83.05036	0.9
85.02953	1.4
93.03460	24.1
94.03806	0.9
98.19946	0.8
109.02936	0.8
111.00890	1.8
111.04512	4.5
113.02384	0.4
113.06145	0.4
123.04460	0.6
125.02417	0.4
127.04015	0.6
129.01939	0.6
135.04576	0.5
137.02431	6.0
139.11288	1.6
153.02016	0.4
153.05617	0.5
155.03535	3.9
173.04546	100.0
174.04889	3.8
183.10242	9.6
184.10619	0.7
195.03011	0.5
235.02519	0.7
237.04044	3.6
267.05075	1.1
315.18015	2.2
357.08719	1.9
357.15567	9.4
357.19617	0.6
358.15771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67718	2.0
59.01384	12.0
59.69028	2.1
61.98825	27.3
71.01377	4.8
71.54890	2.1
73.02937	5.2
83.22034	2.2
85.02947	3.3
87.00837	2.9
89.02443	15.8
96.96001	2.0
119.05026	45.0
121.02898	2.5
131.03468	6.1
133.02937	7.6
134.03310	6.2
148.13164	2.0
149.04549	100.0
150.04901	3.1
163.00310	4.2
163.04008	67.2
164.00742	3.2
164.04346	2.4
173.04453	2.5
175.03978	2.8
179.00757	2.4
184.10480	2.3
191.05717	2.6
191.80492	2.3
231.94824	3.0
270.04855	3.6
285.03787	6.0
286.04425	12.5
295.08109	20.4
297.04059	4.1
298.04407	26.7
299.05124	12.4
300.05835	5.9
312.06204	5.9
317.19577	2.7
328.05621	3.7
340.05307	9.7
358.06458	77.8
359.06738	8.0
359.11264	4.7
359.20563	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	357.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.0
57.39761	0.4
59.01106	0.7
59.01379	9.2
60.99286	0.9
62.85658	0.4
67.01893	4.4
69.03466	3.6
69.66277	1.2
69.66685	1.2
71.01385	5.3
71.05019	0.6
72.99305	1.1
73.02946	0.9
75.00865	0.9
81.03448	1.0
83.01389	1.0
83.05031	1.1
85.02956	4.9
87.00890	2.3
89.02455	1.6
93.03458	28.9
94.03802	0.8
95.27119	0.4
99.00852	0.5
101.02436	1.6
105.07155	0.5
109.02943	1.0
111.00893	1.2
111.04533	6.5
111.08163	1.3
113.02438	1.2
119.03524	0.6
123.08167	1.0
124.01600	0.4
125.02444	1.6
125.06089	3.5
128.91862	0.4
129.01945	0.9
130.02403	0.4
135.04549	0.8
136.01630	0.6
137.02454	5.3
139.11301	3.9
147.02953	1.1
151.04066	1.0
152.01340	0.4
153.01932	2.5
155.03520	5.5
161.04568	0.7
165.03983	0.6
173.04547	100.0
174.04892	5.2
177.09259	0.7
183.10262	46.6
184.10577	2.3
195.06671	1.2
212.49702	0.5
237.04068	0.8
246.78322	0.4
313.12885	1.2
357.15570	26.9
358.15762	2.9
358.77515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1379
Annotation	6-Gingesulfonic acid
Peak:m/z	Relative Intensity
52.30820	0.7
55.01859	1.0
55.22658	0.7
56.94310	0.8
57.03448	5.9
59.01381	16.7
60.42049	0.7
61.15424	0.6
61.98814	2.4
68.99800	1.0
69.03455	2.0
71.01385	2.4
71.55967	1.1
71.80760	0.7
72.99311	1.3
75.00883	0.8
83.01414	3.7
83.05019	1.3
85.02953	27.4
87.00890	5.7
87.04509	1.8
95.06781	0.6
97.06564	0.8
101.98457	0.7
102.98585	1.3
104.94633	0.7
105.07114	1.2
106.04248	1.0
109.11414	0.7
110.00169	0.8
111.00889	2.8
115.05518	1.1
117.07092	1.1
120.99683	1.0
121.02915	0.9
123.04518	1.3
123.08172	1.7
125.02588	1.1
129.01932	5.9
131.08664	1.3
133.05069	1.7
134.03746	0.8
135.11795	3.7
136.01596	1.1
137.02420	1.0
137.06007	0.9
137.09727	0.8
139.11281	3.2
145.10191	1.9
147.02998	1.6
147.11778	1.0
150.50926	0.7
151.04018	1.6
151.09534	0.7
154.99892	1.1
163.11259	2.0
173.00914	1.8
173.04492	0.9
173.13356	34.5
174.13669	2.9
183.10255	13.9
185.10077	1.1
187.11246	1.1
191.01945	2.7
191.14391	8.1
192.14647	0.8
195.02917	1.4
195.06654	1.3
197.11826	1.5
207.02913	0.9
217.12318	11.9
218.12813	0.9
235.02530	0.9
235.13377	21.2
236.13841	1.5
237.04022	6.3
241.10684	1.0
267.05176	2.2
269.12152	25.0
270.12555	1.4
271.17856	0.8
297.17126	4.6
299.01825	1.0
313.03461	1.8
314.04462	1.2
315.18069	14.8
316.18430	1.6
339.12567	0.9
357.13766	100.0
357.18869	5.0
358.14178	12.1
358.18951	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	357.1342
Annotation	Saururin A
Peak:m/z	Relative Intensity
53.32969	0.4
55.33492	0.3
59.01365	0.5
61.98833	0.9
69.03452	6.4
70.72530	0.4
71.01379	0.4
71.54463	0.8
83.01392	1.0
84.02174	0.5
85.02988	0.4
93.03455	1.3
95.01366	0.5
100.94098	0.3
108.02172	1.4
109.02947	2.8
111.00831	0.4
121.02954	9.9
122.03754	7.9
123.00829	0.4
123.04559	6.3
124.01650	1.6
133.02972	0.7
134.03731	0.7
135.04533	3.6
136.01666	14.2
137.02449	12.0
138.02734	0.7
145.02849	0.4
147.04527	4.0
149.02437	0.7
151.04001	16.6
152.04364	0.5
154.02692	1.0
159.04530	1.1
161.02411	1.4
161.06085	1.6
162.03215	3.4
163.04022	3.3
164.04593	0.6
165.05582	0.8
171.10327	0.5
173.06053	0.7
174.03165	0.5
175.03990	6.6
176.04785	15.4
177.05569	2.4
179.03548	0.8
187.03990	1.0
189.05559	1.6
190.06345	2.5
191.07053	0.9
203.37753	0.4
241.05019	0.5
256.07339	0.8
256.22125	0.3
267.06638	0.9
278.06030	0.4
279.06653	1.5
282.08994	0.8
293.08160	1.5
294.09052	1.0
297.04285	0.4
309.07678	0.4
311.09177	0.6
312.10043	1.2
327.08914	0.5
327.12402	1.6
342.11093	4.2
343.11465	0.5
357.13412	100.0
358.13797	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	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.2
59.01376	5.2
61.98826	1.0
67.01885	3.6
68.99814	1.6
70.31988	1.4
70.81808	0.5
71.40280	0.5
72.20037	0.6
72.99309	3.5
81.03452	0.6
83.01382	4.2
84.42827	0.6
85.02953	25.1
86.03296	0.6
93.03472	0.6
95.04990	0.8
97.02962	1.5
99.00880	1.4
101.02446	1.6
107.01454	0.5
107.47964	0.5
109.02955	0.7
111.00887	100.0
112.01232	3.5
112.65410	0.5
121.65755	0.5
123.04570	1.1
125.02442	1.5
129.01942	8.1
133.02869	0.6
135.04520	0.6
137.02409	0.6
149.02423	0.6
151.04065	0.8
151.07631	0.7
154.99878	14.1
167.03622	0.9
173.00925	39.2
174.01253	1.6
183.10306	2.7
193.01424	1.1
193.05144	0.8
195.02983	2.1
207.03030	1.3
208.03705	0.8
212.05157	1.6
221.00867	0.7
227.07523	1.3
235.02527	1.8
237.04048	19.1
238.04391	1.7
241.11023	0.6
249.03983	0.7
265.03815	0.5
267.05106	6.1
315.18161	2.2
339.07483	0.6
357.08270	7.0
357.12143	1.1
357.19217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94383	1.0
57.03469	1.7
59.01390	5.7
61.98834	8.9
63.57427	0.9
67.01893	4.3
71.01386	3.8
71.27026	2.0
72.99323	2.9
73.02948	2.8
74.99116	1.7
81.03458	1.0
83.01383	4.0
83.05045	1.0
85.02949	24.3
93.03465	2.2
99.00858	1.5
101.02418	3.2
111.00883	100.0
112.01224	2.3
113.03586	2.0
116.07195	4.4
118.98105	10.3
119.05006	4.5
121.02935	2.3
123.04528	1.9
124.01681	1.4
125.02441	2.0
125.06071	1.3
129.01949	8.2
131.04626	2.1
133.02953	2.9
135.04539	1.8
136.01625	1.2
136.05276	1.3
138.03236	1.6
139.03984	2.7
146.00792	0.9
149.02429	4.3
149.04485	1.1
150.02928	1.5
151.02931	1.4
151.04047	3.0
151.07648	2.2
151.17854	1.0
153.01923	0.9
153.05606	2.3
154.01465	2.2
154.99876	12.4
161.02478	1.0
163.03995	10.1
164.04796	1.8
165.03996	1.5
165.05238	1.5
166.05302	1.0
167.03450	2.9
173.00917	50.6
173.04526	2.6
174.01202	1.8
177.01930	1.2
177.05629	1.2
179.03587	1.3
180.04250	3.2
183.10271	4.1
191.03694	1.3
192.76611	1.0
193.01498	2.4
195.03021	12.0
195.06670	6.6
223.06140	2.0
225.06627	2.5
237.03783	1.0
295.08215	1.7
297.04129	2.7
298.04797	1.5
339.05188	1.4
357.08130	8.0
357.12396	2.0
357.15912	1.5
358.06570	1.5
358.18875	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	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38475	0.4
59.01379	15.9
63.80708	0.3
67.70818	0.4
70.31279	0.7
71.01377	1.1
73.02966	0.4
83.01465	0.4
85.02940	0.7
108.02168	1.9
118.98115	2.3
119.05020	1.8
121.02950	1.5
121.21619	0.3
123.04547	2.4
124.01660	1.2
125.02399	0.5
134.03700	0.8
135.04527	8.8
136.05307	11.8
137.05627	0.6
150.03165	0.5
151.03978	2.8
151.07628	2.9
195.06619	100.0
196.06970	6.7
245.65198	0.4
269.11356	0.4
306.37613	0.4
357.12048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.4
66.19459	0.6
66.93277	0.6
68.23896	0.7
69.56787	3.4
71.01388	0.9
72.99287	0.5
73.02956	3.7
74.99088	1.2
83.01394	1.2
84.47939	0.6
85.02957	1.8
89.02446	0.9
93.03450	0.8
95.05047	0.8
98.19913	1.2
101.02473	1.2
103.04034	1.7
108.02170	4.5
109.02983	4.1
109.05770	0.7
113.02449	1.0
118.98085	4.4
119.05036	1.0
120.01265	1.0
121.02980	1.2
122.03720	1.0
123.04526	79.9
124.04842	3.7
135.04509	4.2
136.05295	2.2
140.93842	0.5
151.04007	9.6
151.07652	0.9
153.05571	100.0
154.05916	5.4
162.03221	1.6
177.05544	3.6
195.06627	21.3
196.06967	1.3
218.41397	0.6
227.07404	0.5
230.33125	0.6
253.07196	1.8
321.09781	0.6
357.08069	0.7
357.12064	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	357.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	28.4
61.98803	1.1
71.01385	7.1
72.05539	0.6
73.35351	0.8
74.99102	1.2
77.70827	0.6
78.95744	0.5
85.02944	1.9
87.00849	0.7
89.02442	6.7
101.02435	5.8
107.19244	0.7
108.02201	1.4
111.00855	0.7
113.02435	3.0
118.91510	0.7
118.98088	10.1
119.03530	3.1
119.05016	2.0
121.02950	2.3
122.03696	0.7
123.04560	3.0
124.01651	1.0
125.94909	0.6
129.17470	0.6
134.03778	0.9
135.04532	8.9
136.05307	10.8
137.05569	0.6
151.03984	3.5
151.07640	3.7
152.07127	1.1
153.05519	0.9
161.64171	0.6
162.03229	23.6
163.03783	1.9
167.03606	1.0
177.05566	36.3
178.05858	1.9
180.04341	0.9
183.10184	0.7
195.06621	100.0
196.06961	7.6
233.44618	0.7
312.62189	0.7
335.93915	0.7
357.21622	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37788	1.8
59.01377	100.0
66.88465	2.0
69.68521	11.4
71.01387	11.9
73.02950	6.1
82.08011	2.0
83.01369	2.6
85.02969	8.6
87.00855	2.2
91.21916	2.2
95.01440	2.7
98.19959	2.3
99.00917	3.2
101.02430	12.7
102.92191	1.9
113.02460	5.9
123.00771	2.7
123.04520	3.5
137.82446	2.4
138.03287	2.1
153.01924	3.9
153.05582	4.9
161.04501	4.1
162.08624	2.2
167.03465	2.4
180.08020	2.5
205.03476	2.2
226.43420	2.1
235.11899	22.0
277.12857	6.2
356.88748	2.3
357.08270	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	357.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.3
57.03447	14.2
59.01376	17.5
61.98824	13.7
68.99805	6.4
69.26447	1.5
71.01388	11.5
71.53763	1.9
71.54112	2.3
73.02934	3.7
75.00852	2.7
81.03444	4.9
83.01392	25.9
83.05019	2.0
84.02187	2.1
85.02950	80.7
86.03294	2.6
87.00865	9.6
93.03474	3.1
95.01323	1.8
95.05003	1.9
96.96004	4.9
96.96980	2.2
97.02941	5.0
101.02429	10.2
103.37236	2.1
107.01366	2.9
107.05006	5.7
108.02187	5.2
109.02964	14.5
111.00878	27.6
113.02470	2.3
121.02961	5.3
123.04523	44.0
124.04874	1.9
125.02451	27.2
127.04051	2.2
129.01936	28.2
131.03506	1.8
133.02905	1.9
135.04518	10.3
136.05269	2.9
137.02466	6.2
137.06172	1.8
147.03015	4.4
149.02414	4.5
150.06850	5.5
151.00342	3.0
151.03989	15.2
151.07610	10.2
152.01158	4.7
153.01949	8.1
153.05574	29.2
161.04553	2.2
162.03247	2.2
165.04088	1.8
165.05568	2.5
167.03493	31.2
177.01923	10.6
179.03519	5.6
180.04173	5.2
181.05231	2.3
193.01370	3.7
193.04991	3.5
195.02994	60.1
195.04945	3.9
195.06613	39.0
196.03366	4.4
197.04527	2.5
205.03520	26.2
207.02962	5.1
219.02997	2.8
223.04596	57.0
224.04993	2.5
235.02534	7.7
237.04025	50.1
242.18739	2.4
244.59940	1.9
249.03964	4.5
267.05075	20.3
324.19281	2.0
339.07236	2.5
357.08264	100.0
357.12265	5.7
358.08725	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	357.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64296	0.7
57.03445	1.6
59.01383	8.4
61.98805	0.8
63.14969	0.8
67.01874	0.7
68.01198	0.6
68.99818	7.5
70.02522	0.7
70.96809	1.3
71.01384	2.5
72.99309	1.0
73.02942	1.2
79.01879	0.9
81.03481	3.7
83.01386	7.8
85.02951	4.3
93.03477	1.1
95.01421	0.7
95.05045	2.5
97.02957	6.6
101.02443	0.8
107.01389	3.1
107.05037	0.7
109.02979	2.6
111.00887	1.8
111.04520	1.2
113.02444	0.9
119.32257	0.7
121.02972	1.4
123.04529	8.0
125.02442	6.1
127.79247	0.6
135.04433	1.0
137.02464	4.3
137.06087	2.0
139.04027	1.0
149.02428	1.2
149.06111	1.0
151.00349	1.1
151.04034	3.3
153.01987	3.5
163.04008	1.6
165.01967	1.8
165.05571	2.0
167.03502	4.5
167.72401	0.6
173.00963	1.0
177.05675	0.6
179.03528	1.6
180.04292	1.2
183.10269	2.1
191.03528	1.0
193.01434	4.9
193.05119	3.6
195.03015	11.1
198.87160	0.7
205.01485	0.8
207.03012	6.7
208.03749	2.4
209.04633	1.6
219.03024	1.3
221.00969	1.6
221.04559	2.0
235.02486	12.4
236.02853	1.0
237.04053	100.0
238.04427	5.6
240.02907	1.4
246.98466	0.7
249.04002	2.3
265.03537	1.8
267.05106	33.8
268.05496	1.9
279.05270	1.7
297.06189	1.2
297.17102	1.4
315.18069	4.0
339.07220	2.8
357.08286	43.1
358.08630	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	356.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01704	1.7
61.98828	5.6
70.31663	1.7
71.51163	0.7
83.01390	0.8
85.02921	0.7
121.02972	1.5
296.25888	3.4
357.13257	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0615
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01381	1.2
66.26704	0.2
71.03274	0.5
77.03964	0.4
93.03462	0.5
94.36315	0.3
119.01147	0.2
120.02150	0.3
121.02953	100.0
122.02467	0.3
122.03274	4.8
127.91341	0.3
159.73811	0.2
165.01822	1.5
174.88553	0.3
180.05818	1.8
181.06587	6.4
182.06894	0.5
225.05548	5.3
226.05862	0.5
271.07141	0.3
297.16904	0.3
313.07169	8.6
314.07379	1.0
315.18207	0.6
357.06140	39.8
358.06461	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	357.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.2
59.01385	7.5
61.98829	1.0
64.10885	0.5
65.00324	0.8
67.01901	0.7
68.99815	3.8
69.69356	3.2
71.01377	3.1
72.99314	1.0
73.02946	1.8
75.00880	0.6
75.58150	0.6
81.03059	0.5
81.03459	3.0
83.01380	5.4
85.02957	5.5
87.00877	3.5
89.02453	0.8
91.91061	0.6
93.03452	1.1
95.01397	1.3
95.05035	1.2
97.02970	3.5
99.00928	0.6
99.04503	0.6
101.02439	1.4
105.03435	0.5
107.01405	1.2
107.05047	1.6
108.02180	56.7
109.02977	24.9
110.03273	0.8
111.00892	1.0
111.04513	1.0
113.02492	1.4
119.05070	0.6
121.02940	2.1
122.03758	0.8
123.00922	1.1
123.04530	22.2
124.04857	1.1
125.02456	14.9
127.04008	1.5
129.01927	1.1
133.02974	1.1
134.03677	0.7
135.04558	3.9
137.02454	2.6
137.06110	1.3
139.03998	0.7
144.28851	0.7
147.04482	0.8
149.02454	1.7
149.06024	0.8
150.06880	0.6
151.00462	0.9
151.04019	7.3
151.07677	4.9
152.01157	35.6
153.01973	14.0
153.05586	13.9
154.02295	0.7
161.04651	0.6
163.04033	1.5
165.01921	1.8
165.05620	0.8
167.03503	15.6
168.03905	0.8
177.01952	5.2
177.05554	0.8
178.99989	0.5
179.03477	2.1
180.04295	1.0
191.03491	1.4
193.01439	2.6
193.05031	2.2
195.02988	32.0
195.06633	14.2
196.03299	2.3
196.06963	0.8
203.69217	0.5
205.01796	0.6
205.03545	1.9
207.02988	3.2
209.04489	0.9
219.03006	1.1
221.00964	1.3
223.04562	1.4
235.02473	4.7
237.04042	37.8
238.04440	2.8
249.04095	1.3
250.95602	0.6
265.03577	1.4
267.05115	15.9
268.05597	0.8
297.06155	1.2
315.07272	0.9
333.76590	0.6
339.07303	0.8
340.08740	0.6
357.08264	100.0
358.08545	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	356.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03450	3.0
57.24980	0.7
59.01382	100.0
60.01715	2.0
61.98830	2.1
71.01380	10.2
71.54439	0.7
72.04533	0.8
72.99303	1.0
73.02937	4.3
75.00871	0.8
81.03473	0.7
83.01381	4.1
85.02950	11.4
87.00916	0.8
89.02466	1.6
95.01433	0.6
99.00915	1.8
99.99460	0.6
101.02454	9.1
102.02780	0.7
102.05632	2.8
103.31108	0.6
111.00902	3.8
113.02457	4.0
114.05637	1.2
119.03548	0.8
119.08685	0.9
121.02988	2.9
125.02503	0.8
128.03548	4.5
129.01962	1.8
130.08742	10.3
130.09669	0.8
131.03590	1.2
135.03017	0.6
135.04527	2.9
136.01660	3.8
137.02470	1.0
145.10234	1.3
146.04587	0.9
147.02982	1.0
151.04008	6.5
153.09125	0.6
154.31259	0.7
161.04539	1.8
162.04897	0.6
163.04039	0.8
165.60939	0.6
170.11856	3.6
173.00972	2.2
173.04645	0.9
178.30002	0.7
179.03424	1.1
180.07936	14.7
181.08780	1.1
181.12389	1.1
183.10278	6.4
195.06746	1.0
195.10262	16.8
195.11943	1.0
227.12947	1.7
237.04108	0.6
270.10663	0.7
278.17703	0.8
296.18890	2.0
312.18234	0.7
338.16235	0.8
356.17365	4.6
356.20947	4.6
357.15588	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	38.9
61.98835	100.0
63.63624	13.8
83.01386	22.6
100.17794	12.2
121.02924	34.3
135.34032	13.2
157.22104	18.1
176.98540	15.8
187.79553	15.4
296.06934	24.6
356.91217	13.5
357.06146	14.1
357.13455	38.1
367.49945	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	356.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03450	3.0
57.24980	0.7
59.01382	100.0
60.01715	2.0
61.98830	2.1
71.01380	10.2
71.54439	0.7
72.04533	0.8
72.99303	1.0
73.02937	4.3
75.00871	0.8
81.03473	0.7
83.01381	4.1
85.02950	11.4
87.00916	0.8
89.02466	1.6
95.01433	0.6
99.00915	1.8
99.99460	0.6
101.02454	9.1
102.02780	0.7
102.05632	2.8
103.31108	0.6
111.00902	3.8
113.02457	4.0
114.05637	1.2
119.03548	0.8
119.08685	0.9
121.02988	2.9
125.02503	0.8
128.03548	4.5
129.01962	1.8
130.08742	10.3
130.09669	0.8
131.03590	1.2
135.03017	0.6
135.04527	2.9
136.01660	3.8
137.02470	1.0
145.10234	1.3
146.04587	0.9
147.02982	1.0
151.04008	6.5
153.09125	0.6
154.31259	0.7
161.04539	1.8
162.04897	0.6
163.04039	0.8
165.60939	0.6
170.11856	3.6
173.00972	2.2
173.04645	0.9
178.30002	0.7
179.03424	1.1
180.07936	14.7
181.08780	1.1
181.12389	1.1
183.10278	6.4
195.06746	1.0
195.10262	16.8
195.11943	1.0
227.12947	1.7
237.04108	0.6
270.10663	0.7
278.17703	0.8
296.18890	2.0
312.18234	0.7
338.16235	0.8
356.17365	4.6
356.20947	4.6
357.15588	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.94332	0.7
60.01729	1.2
61.98846	3.9
63.16959	0.5
65.52352	0.7
71.24106	1.0
83.01389	1.3
88.10198	0.7
114.05637	2.0
119.08653	0.7
121.02975	1.7
130.08722	4.7
135.04790	0.6
137.09741	0.9
156.10327	1.1
163.11258	1.0
170.11865	3.6
181.12244	1.3
195.63008	0.6
196.13423	0.7
223.83269	0.7
247.09976	0.6
252.15979	3.2
278.17722	1.6
296.18723	3.7
315.79010	0.8
357.06158	1.1
357.13483	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	356.208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67100	3.8
58.50632	3.6
59.01363	7.6
61.26511	3.7
61.55009	3.6
61.98831	100.0
67.62117	3.5
69.93842	3.5
72.90143	3.6
83.01358	7.1
98.20717	7.4
101.88908	3.7
121.02950	6.8
126.44795	4.2
157.33157	4.2
301.77670	4.6
357.13397	11.2
357.20743	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	356.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.1
59.01381	100.0
61.98840	2.0
69.83495	3.3
69.83898	1.1
72.04542	0.8
79.45416	0.6
83.01434	0.9
97.82481	0.6
98.20618	0.8
109.06544	0.7
114.05647	2.7
119.08692	1.4
121.02931	1.5
129.39195	0.7
130.08737	4.0
145.10260	2.8
156.10349	1.1
163.11305	1.8
170.11914	2.7
181.12421	1.0
234.15051	1.9
252.16161	2.9
260.16461	0.9
278.17786	1.4
283.45834	0.7
286.39160	0.8
296.18619	4.3
357.13525	1.8
357.26559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17014	4.6
53.55611	4.5
59.01384	100.0
61.98819	11.8
69.99302	22.9
102.18575	5.1
121.02995	11.4
123.57348	4.9
162.35965	4.8
202.25824	5.1
357.13382	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	356.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17014	4.6
53.55611	4.5
59.01384	100.0
61.98819	11.8
69.99302	22.9
102.18575	5.1
121.02995	11.4
123.57348	4.9
162.35965	4.8
202.25824	5.1
357.13382	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	356.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60514	0.6
59.01371	3.7
61.98830	100.0
71.05346	1.5
78.52018	0.7
83.01418	1.0
201.48517	0.6
226.28386	0.7
266.32025	0.7
302.07468	0.7
309.77377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.4
61.98827	100.0
69.21534	19.5
69.21952	10.1
82.80634	2.8
83.01389	5.9
121.02974	11.7
136.01659	3.8
151.03993	4.3
158.37836	3.4
259.75729	3.6
274.93585	3.1
297.03967	3.6
356.12067	3.6
357.13403	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	356.0985
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
57.03442	0.5
59.01371	3.5
62.79619	0.4
65.25276	0.4
69.35133	3.1
71.01381	1.6
85.02959	1.1
101.02467	0.5
106.06621	100.0
107.06949	3.7
108.08188	5.5
109.90604	0.4
111.00867	0.9
113.02483	1.9
118.06640	0.9
118.98059	1.0
120.08195	1.1
130.06609	0.4
130.08696	0.6
131.03760	1.5
132.04626	0.6
136.07639	0.4
140.80222	0.5
146.06134	0.8
150.05595	53.7
151.04016	0.5
151.05969	2.1
163.72652	0.4
164.05881	0.8
164.07159	10.4
165.07549	0.5
167.01712	0.4
174.05597	0.6
192.06644	7.2
194.04559	30.5
195.04910	1.4
236.05600	4.8
265.70709	0.4
296.07715	3.8
297.07739	0.4
315.18140	1.7
356.09821	10.2
357.06079	0.5
357.10083	1.3
357.19220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.249
Annotation	Ligantrol
Peak:m/z	Relative Intensity
51.46063	1.4
56.04418	1.4
59.01370	9.2
61.98816	6.6
70.07921	6.1
76.44990	1.5
82.40162	1.7
85.02956	12.6
93.49040	1.5
137.81216	1.5
139.11285	1.8
141.12859	3.5
169.12288	4.4
177.53658	1.8
183.01276	2.8
185.11832	68.5
186.12122	3.1
187.13382	100.0
188.13692	4.3
191.01950	3.7
198.58469	1.5
209.03050	5.1
235.08760	1.8
355.19498	5.9
355.24866	72.0
355.29242	3.6
356.25006	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	355.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03482	1.0
59.01384	17.2
61.98833	100.0
68.47636	1.0
71.09531	1.8
71.09881	1.0
85.02953	3.1
89.74981	1.0
90.14217	1.0
184.23065	1.0
271.36453	0.9
319.77402	1.2
355.08197	1.4
355.15823	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	355.2277
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
54.44904	0.8
59.01365	1.4
61.98824	1.9
70.96112	1.5
78.31538	0.8
85.02930	2.1
85.36897	0.7
99.93102	0.9
101.06101	1.2
107.05006	1.0
109.02968	2.2
121.02905	1.1
122.03725	7.4
124.01656	1.0
127.07610	1.7
135.04524	19.8
136.01643	2.5
140.67857	0.8
147.08133	3.5
149.06033	1.0
149.09712	6.5
151.07631	1.4
154.02731	2.0
161.09734	8.3
162.10020	1.1
163.07634	3.1
163.11281	42.4
164.08412	14.6
164.11583	2.8
165.09192	8.2
168.64003	0.9
177.09193	60.5
178.09987	18.6
179.10762	64.2
180.11136	5.5
183.10208	2.5
187.11276	2.3
191.10759	10.3
192.11105	0.9
193.08688	6.8
205.64711	0.9
209.98155	0.8
265.12378	1.9
279.13739	1.0
280.14658	3.6
281.15396	0.9
298.15723	45.7
299.15952	6.3
309.22327	1.7
313.21689	1.0
322.19159	1.0
337.21716	50.1
338.22034	7.5
340.20392	84.8
341.20764	11.8
355.22769	100.0
356.23105	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	355.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16968	0.3
55.01880	0.6
57.03445	0.6
58.00595	0.3
59.01381	100.0
60.01719	1.1
61.98866	0.4
71.01389	6.0
73.02950	1.6
83.01398	1.2
85.02969	3.4
89.02447	3.2
89.02859	0.3
95.01372	0.4
98.20673	0.8
99.00854	0.5
101.02433	4.4
113.02460	2.3
119.03544	0.9
120.04544	0.9
139.11298	0.4
143.03514	0.4
149.02460	0.6
159.03027	0.3
161.04556	2.2
164.04768	0.4
179.05640	0.4
183.10318	0.9
240.10294	2.0
313.16531	3.1
317.39441	0.4
355.11862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.1
59.01363	3.5
61.98841	1.5
71.01371	2.3
71.05015	25.9
71.55032	1.6
73.02937	2.0
75.99171	1.3
85.02947	1.7
85.06578	27.0
87.08169	3.2
121.02946	3.1
131.03546	2.7
135.11792	8.5
137.02470	1.7
148.14175	1.3
148.38887	1.4
149.04529	4.7
161.09734	2.6
168.07887	1.3
171.10234	10.0
173.75670	1.5
175.11319	2.4
177.12749	9.7
179.14400	4.2
183.10246	1.8
184.88956	1.3
221.11865	2.9
223.13380	100.0
223.97575	1.5
224.13661	6.5
235.02419	2.6
287.16431	1.4
319.19098	1.8
340.09265	2.7
355.07993	5.8
355.11954	3.2
355.17645	12.3
356.08792	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.158
Annotation	Dipegine
Peak:m/z	Relative Intensity
55.85452	2.8
61.98829	27.6
69.32267	7.4
69.32679	16.4
85.62981	2.6
99.92582	53.7
100.92643	2.7
115.92087	31.0
116.92860	100.0
117.92893	5.0
137.34029	2.7
149.43230	2.8
199.00710	4.6
225.22273	2.8
261.79007	2.7
265.78729	3.0
355.15756	72.1
355.19656	9.0
356.16144	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	355.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86848	0.4
57.03451	0.8
59.01366	0.7
65.70537	0.4
69.20998	1.0
69.21404	3.8
71.01408	0.6
71.05021	6.6
72.34194	0.4
73.02944	0.9
82.55756	0.4
84.58749	0.4
85.02919	0.7
85.06586	1.4
93.03476	0.5
95.97826	0.4
108.02157	1.2
109.02979	0.4
117.18150	0.5
121.02930	3.6
131.03502	1.5
133.02910	0.4
135.04488	0.4
135.11781	3.2
136.01646	1.3
137.85301	0.5
145.02936	0.6
147.04549	1.0
149.02422	0.7
149.04555	1.2
150.03152	0.5
161.02382	0.8
161.06039	0.6
162.03191	0.6
164.84467	0.4
175.03993	2.6
176.04700	0.6
179.14389	0.6
187.03952	0.4
189.05566	1.1
190.06331	0.7
204.04272	1.2
205.08525	0.5
212.67587	0.5
223.13374	100.0
224.13712	10.0
235.02420	0.6
326.07889	0.5
327.12323	1.7
340.09573	0.7
347.81256	0.4
355.08105	0.7
355.11850	4.2
355.17545	1.4
356.12567	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60439	1.2
59.01385	6.3
61.98834	100.0
66.97962	1.1
71.54945	1.7
72.91283	1.3
82.62963	1.1
82.91530	1.1
83.01386	3.5
85.02966	2.6
89.25945	1.2
94.78098	1.1
102.88151	1.4
109.02950	2.1
121.02993	1.3
126.63833	1.2
137.02443	23.3
138.02850	1.2
149.02438	5.0
150.03233	2.4
151.02730	6.7
183.01445	2.8
184.03903	1.2
191.02135	1.8
191.05766	2.2
193.06009	1.3
209.03023	1.4
242.76643	1.1
286.08524	1.4
292.15521	29.4
293.15976	3.1
348.06067	1.3
355.15671	3.3
355.19467	7.4
356.19885	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08420	0.3
53.63750	0.3
54.29693	0.3
59.01375	0.6
61.98833	1.0
65.75345	0.3
68.99776	0.4
69.03455	2.4
71.44501	0.4
82.74289	0.3
83.01386	10.9
84.66875	0.3
85.02917	0.4
93.03458	3.1
95.01407	0.5
105.03498	0.3
107.01411	0.4
108.02168	1.1
109.02954	5.7
121.02942	4.2
122.03734	0.7
124.01657	0.4
124.55764	0.4
125.02483	1.0
134.03767	0.6
136.01654	1.2
136.05296	1.0
137.02441	100.0
138.02774	3.8
148.01666	0.9
149.02440	24.5
150.03235	7.5
151.03862	0.9
163.03993	0.5
168.04292	0.4
270.82462	0.4
271.06015	0.3
285.07654	5.4
286.08435	7.1
287.08978	0.9
301.07132	0.7
340.09515	0.6
355.15491	12.6
355.19336	1.2
355.24533	0.6
356.15991	1.8
371.38589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02818	1.1
59.01371	1.8
69.24032	10.4
71.01379	3.5
73.02940	5.0
87.00908	1.3
89.02445	19.8
92.74888	1.3
103.04015	1.3
109.95937	1.4
131.03500	5.8
133.10278	1.6
135.11807	18.7
136.12157	1.9
149.04553	95.8
150.04935	2.9
161.09680	1.3
179.10768	100.0
180.11110	5.6
184.10919	1.4
223.09744	21.9
223.13358	3.5
224.10033	1.3
270.37091	1.3
355.13934	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	355.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07593	1.0
59.01381	1.8
71.01386	3.0
71.14989	1.4
71.15311	1.3
73.02922	5.1
87.00876	2.3
89.02441	18.7
103.04062	1.8
105.01946	3.9
131.03456	5.7
133.10266	2.0
133.11345	0.9
135.11812	18.2
149.04553	95.1
150.04916	3.1
162.81024	1.1
164.28162	1.0
179.10762	100.0
180.11096	5.7
190.04643	1.0
203.32832	0.9
223.09752	15.5
355.13925	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	355.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55994	0.8
54.28106	0.7
55.04860	0.8
59.01381	5.0
63.18960	0.8
71.01384	3.1
71.05013	1.2
73.02943	3.8
75.00877	1.3
85.02957	2.1
89.02444	12.9
103.03979	0.9
105.01949	2.1
111.04543	1.2
123.08160	1.2
131.03506	4.0
133.10251	1.2
135.10789	1.4
135.11816	18.8
136.12131	1.2
149.04555	77.3
150.04887	2.0
161.09787	2.0
161.72157	1.1
179.10774	100.0
180.11150	7.6
223.09752	19.1
223.13264	1.6
224.10033	1.2
229.67734	1.1
235.02490	1.1
313.16504	2.4
348.12662	0.9
355.14029	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	355.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48574	0.3
53.55396	0.3
61.98823	0.4
69.36565	2.1
77.63150	0.3
83.05991	0.3
93.03455	8.3
93.04017	0.5
94.12778	0.3
107.05034	1.4
121.02951	89.8
122.03306	3.2
134.03758	0.7
135.04530	10.9
136.01639	1.4
136.04849	0.5
137.02434	1.1
145.03011	0.9
146.03772	0.6
147.04546	2.2
149.02396	1.0
156.76830	0.3
161.06116	0.5
163.04013	7.1
164.04781	2.7
208.35767	0.3
235.02509	0.5
239.16519	0.4
340.09485	100.0
341.09854	14.2
355.11838	79.8
355.24802	2.0
356.12204	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	355.1033
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
59.01363	5.6
63.05908	1.4
69.03448	2.1
69.26229	1.2
69.66235	7.9
71.01373	5.8
71.04995	1.6
72.99291	5.3
73.02950	7.0
75.00877	24.0
81.03442	3.1
85.02939	2.8
87.00890	1.9
89.03954	2.4
91.01881	6.1
93.03426	2.9
98.13647	1.4
99.00874	4.1
99.04525	7.3
106.06627	2.9
107.05005	1.8
111.00889	7.9
117.03461	6.4
119.01403	1.8
121.02940	15.7
130.08714	8.8
134.03738	78.9
135.04140	2.2
135.15111	1.4
143.03488	10.6
147.04515	5.7
149.02441	80.8
149.04506	6.5
149.06050	6.1
150.02750	4.3
150.05589	2.1
151.04008	62.6
152.04298	3.5
161.04541	12.6
164.04794	53.4
165.05072	2.8
167.03468	3.0
179.05626	54.9
179.07117	3.4
180.05949	2.6
183.10292	11.3
193.05058	72.5
194.05348	5.0
223.06107	100.0
224.06494	7.5
269.27512	1.7
355.10266	17.2
356.10709	1.4
356.20905	8.1
360.77866	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	355.1035
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
55.08982	0.4
58.00598	0.6
59.01380	9.4
59.01656	0.7
67.39188	0.4
69.54512	0.6
69.54928	2.0
71.01383	4.5
82.18948	0.5
83.01430	0.4
85.02972	1.5
89.02441	3.6
93.17929	0.4
94.35970	0.4
95.01395	0.6
101.02441	2.0
113.02467	1.2
117.03468	0.8
119.03471	0.9
132.02173	15.0
134.03751	9.7
135.04047	0.6
147.04497	0.7
149.02405	1.1
149.06073	1.8
151.04015	0.7
151.07643	1.2
160.01662	66.8
161.02011	3.8
161.04594	0.5
164.04765	0.6
175.03999	100.0
176.04367	6.6
178.02695	1.7
191.05627	0.8
191.07053	2.2
192.05748	0.4
193.01402	0.7
193.05016	19.7
194.05379	1.3
202.02795	0.8
207.06657	0.7
217.05055	5.5
223.06160	0.9
235.02431	1.0
235.06197	2.7
265.07135	0.9
295.08188	2.1
355.06430	0.8
355.10297	5.1
356.10742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.6
64.55129	0.4
71.01382	4.7
72.99288	0.5
76.82846	0.4
83.01371	0.7
85.02966	1.8
89.02455	3.6
101.02448	2.0
113.02470	1.9
119.03477	0.5
121.02938	0.5
132.02176	15.2
133.02489	0.5
134.03743	9.5
135.04086	0.7
147.04541	0.9
148.05371	0.6
149.02432	0.9
149.06065	1.5
151.07617	0.6
159.16927	0.5
160.01662	64.7
161.01982	3.5
170.87749	0.4
174.03259	0.4
175.04001	100.0
176.04359	6.9
178.02725	1.8
191.05618	0.7
191.07146	2.3
192.05991	0.6
193.05020	19.3
194.05391	0.9
202.02744	0.5
207.06665	0.8
217.05034	5.6
223.06129	0.7
235.02501	1.1
235.06091	3.9
251.16458	0.5
265.07257	1.2
295.08194	1.9
355.06668	0.7
355.10388	8.1
356.10504	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78721	0.5
57.03428	0.4
59.01381	1.7
63.39734	0.4
68.68600	0.4
69.61119	2.5
70.26730	0.4
73.02938	1.0
85.02972	1.4
85.10242	0.5
89.02451	0.7
89.03957	0.5
91.05544	0.8
93.03423	1.0
96.69827	0.5
98.19991	0.9
117.03465	1.5
119.05029	1.0
121.02960	17.8
122.03299	0.5
122.53404	0.4
131.03490	1.2
132.02164	1.6
134.03749	1.0
135.04529	0.6
147.04500	5.8
148.04829	0.5
149.02441	88.4
149.04503	4.5
150.02783	3.8
151.04024	0.8
151.93721	0.4
163.03976	1.2
164.04796	59.9
165.05098	2.9
178.02742	0.5
179.05701	0.8
179.07109	3.9
185.83949	0.4
193.01428	0.9
193.05005	0.8
196.41422	0.5
223.06113	100.0
224.06451	7.7
355.10638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0822
Annotation	Isokanugin
Peak:m/z	Relative Intensity
57.17270	0.7
59.01373	2.5
61.68307	0.8
61.98838	0.9
68.99823	1.9
77.03985	1.1
81.03451	2.3
85.02937	1.5
89.03967	2.6
91.01878	3.1
91.05522	0.8
93.03453	3.5
95.01376	1.2
95.05022	1.8
97.02933	1.2
98.20663	2.1
105.03466	2.8
107.01383	1.2
107.05021	3.9
108.02180	2.3
109.02950	7.3
111.00861	2.3
117.03452	1.2
119.05007	2.8
121.02956	9.4
123.00832	1.0
123.04533	1.3
125.09690	0.8
131.05052	4.1
133.02953	9.5
133.06570	3.3
135.04526	3.4
137.02441	5.0
137.06090	1.0
146.54607	0.8
147.04465	1.8
149.02437	10.8
149.06149	1.8
150.03136	1.0
159.04504	3.2
161.02420	0.9
161.06055	1.4
163.03972	1.7
165.01888	2.2
173.04489	1.1
174.03276	1.0
175.04013	1.4
177.01921	15.4
177.05519	4.4
177.06966	0.7
178.02472	1.2
187.04018	2.0
190.02701	1.1
202.02687	3.0
205.05048	4.3
227.07091	0.8
283.09674	1.1
285.07532	1.0
311.09204	1.6
313.07010	1.2
327.08725	8.1
328.09335	1.1
340.09515	2.6
355.08203	100.0
355.24963	4.5
356.08563	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	355.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.4
62.85989	1.4
63.52377	1.3
70.42995	2.4
70.43353	3.2
71.01385	8.9
72.05213	1.5
73.02950	5.5
81.09489	1.3
85.02938	6.4
87.00866	3.3
89.02446	28.6
93.03436	3.4
101.02441	1.5
101.07763	1.2
103.03949	1.9
103.24655	1.4
121.02928	5.6
131.03519	6.8
135.04532	2.4
149.04553	100.0
150.04883	4.0
173.04550	4.1
175.02449	2.0
179.03461	1.8
181.05138	1.9
191.05586	6.4
192.06009	1.8
212.47662	1.5
221.12003	1.5
362.11398	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	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99800	1.2
53.16015	1.2
57.03461	2.6
59.01383	100.0
60.01706	1.6
69.03430	1.5
70.86736	2.1
71.01381	8.3
72.35028	1.1
73.02973	5.7
75.62023	1.2
77.34335	1.2
83.01424	2.9
85.02954	13.1
97.03006	1.2
101.02448	7.5
102.05621	2.5
104.68279	1.3
108.02151	1.8
113.02491	2.9
121.02985	11.7
128.03554	1.3
130.08742	1.6
134.03769	2.8
135.04529	1.9
146.04597	1.3
147.04550	3.3
149.02444	40.1
150.03259	5.8
151.04053	6.2
161.04587	6.0
164.04813	23.8
165.05177	1.6
179.05681	1.4
179.07175	1.9
191.01915	2.3
191.03502	1.5
191.05736	1.3
193.01521	1.1
193.05000	1.6
206.05891	1.3
209.02965	1.8
223.06142	41.2
224.06473	3.4
241.16881	1.4
269.10315	15.2
271.90521	1.4
355.14041	1.9
356.16968	2.2
356.20853	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	354.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01715	0.5
61.98832	1.8
66.28651	0.6
66.62245	0.5
69.66875	0.5
69.89496	2.5
71.86542	0.5
85.02974	0.6
85.21666	0.5
110.41764	0.6
129.03171	0.5
136.04930	0.8
156.91202	0.5
178.87102	0.6
191.05652	1.4
192.06111	0.9
193.09944	0.5
194.20338	0.5
294.24417	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	355.0822
Annotation	Isokanugin
Peak:m/z	Relative Intensity
50.73178	0.8
59.01372	2.5
61.98840	0.9
65.00314	0.9
67.01888	1.5
68.99814	1.9
69.03459	1.1
69.22427	2.5
69.22850	5.4
73.02972	0.9
77.03967	2.0
81.03475	2.2
83.05038	1.2
85.02952	1.7
89.03977	3.3
91.01888	4.0
93.03469	3.3
95.01394	1.9
95.05032	1.0
103.86314	0.8
105.03460	2.1
106.22813	0.9
107.05016	5.9
108.02151	2.8
109.02951	8.0
111.00875	2.2
119.05045	3.0
121.02959	13.4
123.00824	1.3
123.04520	2.0
124.01592	1.2
131.05026	3.9
133.02974	8.7
133.06587	3.1
135.04512	3.2
136.01726	0.8
137.02472	4.6
137.06088	1.3
144.39427	0.9
145.02959	1.1
147.04550	1.9
147.25185	0.8
149.02417	8.9
149.06107	1.3
153.40051	1.0
158.89287	1.0
159.04500	3.8
159.89265	1.1
161.02385	1.2
161.06114	1.5
162.03221	0.9
163.03949	2.0
165.01913	2.1
166.82391	0.9
174.03188	1.3
175.04002	2.0
177.01938	11.9
177.05516	4.1
178.02475	1.2
187.04045	1.3
202.02763	1.5
205.05070	4.5
235.02464	1.3
245.88869	1.0
257.08282	0.9
295.14096	1.7
309.07547	1.2
313.06989	1.5
313.16550	1.1
327.08746	7.2
355.08209	100.0
356.08527	12.0
356.12720	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	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
52.87428	0.3
53.11024	0.2
54.19135	0.3
55.50069	0.3
58.56725	0.2
58.98427	0.3
68.32996	0.3
72.57249	0.3
79.95738	1.1
86.99646	0.3
91.27839	0.3
96.96009	6.7
98.20747	0.5
147.08104	0.5
163.11278	87.8
164.11609	5.3
177.09196	66.4
178.09554	4.3
191.05600	1.5
194.05600	0.3
204.26003	0.3
222.08893	0.4
329.64569	0.3
353.21164	100.0
354.21512	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	354.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33587	4.4
59.01370	8.9
61.98534	7.7
61.98828	100.0
87.77341	5.1
125.95624	4.5
174.67355	5.4
191.05621	12.4
192.05988	9.9
204.83461	5.6
355.07986	7.2
355.19406	9.5
374.22699	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	354.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	0.6
59.01371	1.1
80.02690	0.2
81.03455	0.5
83.05032	0.9
85.02951	0.5
93.03428	0.2
95.05035	0.2
97.06580	0.7
105.01937	0.7
109.06627	0.5
128.10799	1.9
130.08733	100.0
131.09067	3.6
149.09676	0.4
151.11264	1.1
154.12361	0.3
161.09680	0.3
165.09190	0.2
179.10760	1.2
186.37906	0.2
191.05617	0.4
194.15431	0.3
223.09744	0.5
230.61566	0.3
246.18588	0.3
248.20145	1.4
267.72479	0.2
274.18103	0.8
292.19174	3.6
293.19379	0.3
296.19598	0.2
310.20218	19.0
311.20514	2.1
312.18198	1.1
313.16550	1.2
318.17099	0.3
336.18115	4.6
337.18542	0.6
354.19186	43.8
355.19571	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99905	2.0
59.01384	22.4
60.01709	2.5
61.01794	4.0
61.98829	35.3
71.54014	2.9
85.02963	7.3
93.03451	7.3
103.13412	1.9
134.03725	2.4
135.04527	17.2
137.02347	2.7
155.10968	2.1
162.34801	1.9
173.04558	8.6
179.03458	14.7
183.01176	16.2
191.05608	100.0
192.05911	3.4
207.69730	2.3
287.57214	2.2
353.08856	3.3
353.17926	31.3
353.22757	2.8
354.18167	6.1
354.26517	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	33.0
60.01701	6.2
61.01803	5.2
61.98832	39.7
71.54740	4.8
85.02948	13.5
85.36805	3.2
93.03467	6.5
96.95981	3.2
104.59748	3.0
110.29297	2.9
119.05060	3.4
135.04533	21.0
159.03137	3.4
160.11971	3.1
161.02400	4.3
165.55347	3.2
173.04568	14.2
179.03481	14.1
182.99817	4.3
183.01190	23.3
191.05608	100.0
192.05984	6.4
353.08765	4.0
353.17838	44.3
354.18671	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	353.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.9
58.56636	0.9
59.01384	100.0
60.01692	1.2
61.98837	1.4
63.73085	0.8
67.01876	1.2
69.03432	0.8
69.71376	0.9
71.01389	16.6
71.54725	1.5
72.99313	1.1
73.02954	6.3
74.66633	0.9
81.03458	1.1
83.01388	1.9
85.02953	19.0
87.00885	2.9
89.02456	3.0
93.03469	9.9
98.31392	0.9
99.00877	2.6
99.04532	0.9
101.02456	16.5
109.02947	3.4
111.00869	2.2
111.04501	2.5
112.65057	1.1
113.02448	6.7
123.04604	1.0
127.04005	2.5
133.03014	1.3
134.03712	1.4
135.04536	20.0
136.04893	1.5
137.02440	1.0
143.03513	1.6
149.02408	3.1
149.04530	1.0
150.01941	1.1
153.44389	0.9
154.99847	0.9
155.03491	1.5
159.03017	1.9
161.02428	3.5
161.04562	15.3
171.03006	1.0
171.16609	1.0
173.04552	19.8
179.02083	1.7
179.03511	19.0
191.05624	88.4
192.05969	4.3
213.87915	1.0
233.04659	1.5
236.39165	0.9
265.07065	1.4
293.16095	35.9
294.16385	2.9
353.08871	6.8
353.16083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.5
67.01885	0.3
71.01388	1.0
71.23553	0.4
71.23894	0.5
73.02950	0.4
82.34029	0.3
83.05037	0.3
85.02956	6.7
87.00886	1.6
87.29709	0.2
93.03461	3.6
109.02964	0.8
111.04516	1.2
114.00005	0.3
127.04012	1.8
132.35115	0.3
133.02937	0.5
135.04533	5.3
137.02443	0.5
161.02489	1.5
171.03027	0.7
173.04559	5.3
179.03497	4.7
180.03923	0.4
191.05618	100.0
192.05951	5.2
301.13083	0.3
353.08801	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1427
Annotation	Alangiobussinine
Peak:m/z	Relative Intensity
59.01385	1.1
61.98824	1.6
67.24969	0.5
71.35012	0.6
79.95734	0.7
85.02959	1.2
88.04057	0.7
95.95235	0.7
96.96011	9.4
99.92587	57.4
100.92609	3.3
100.93399	1.9
101.39943	0.6
113.92720	0.5
115.92080	31.9
116.92863	100.0
117.92891	6.2
135.04533	3.3
135.38646	0.5
149.09731	3.2
173.04578	1.5
179.03487	2.4
183.01125	0.5
183.13843	1.1
187.13428	1.5
191.05612	11.8
191.14420	2.3
223.20636	1.1
253.21793	1.8
267.24957	0.6
309.15341	1.4
323.13254	1.5
324.13824	0.5
341.14273	1.9
353.14273	74.4
353.20044	12.1
353.25021	3.5
354.14435	13.0
354.20932	1.3
354.25290	1.0
367.12140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01383	2.3
59.30145	0.5
61.98806	0.4
69.03456	1.2
69.41245	1.3
69.41661	2.3
71.01411	0.6
71.05019	83.5
72.05361	2.2
73.02950	1.4
85.02962	1.5
85.06571	0.6
87.00881	0.6
93.03464	1.8
97.06596	1.6
105.25060	0.4
109.06627	0.5
131.03452	1.3
135.04497	2.8
136.04898	0.7
150.06775	0.9
157.74731	0.5
173.04507	1.6
174.33302	0.6
177.12839	3.8
179.03481	1.3
179.80658	0.4
191.05606	13.0
221.11813	100.0
222.12154	8.1
231.21625	0.5
294.09509	0.5
301.32291	0.5
307.02167	0.4
378.69592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.9
59.01381	2.7
67.01904	4.7
68.99192	0.8
69.03444	1.4
70.31675	2.2
70.32025	1.1
71.01379	3.1
75.03365	0.8
78.44037	0.7
81.03482	1.1
83.05038	1.6
85.02947	11.0
87.00881	2.0
93.03455	29.8
94.03793	0.9
99.04531	0.9
109.02963	1.3
111.00874	0.9
111.04523	5.9
127.04008	3.3
127.41399	0.9
133.02948	1.7
134.03778	3.7
135.04524	75.6
136.04843	3.8
137.02412	5.3
155.03523	5.2
161.02415	5.4
166.76736	0.7
173.04541	100.0
174.04877	3.8
179.03494	68.6
180.03825	3.4
191.05606	64.1
192.05911	2.9
247.78554	0.8
297.42279	0.7
353.08792	13.8
354.08939	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
51.44416	0.4
52.53466	0.4
59.01383	1.2
59.19110	0.4
71.01402	0.6
71.22736	0.9
72.61854	0.5
73.02927	0.5
74.10410	0.4
81.03479	0.4
83.05037	1.0
85.02954	5.9
87.00900	1.7
91.05566	0.4
93.03464	3.6
99.04542	0.5
107.05035	1.1
109.02973	0.7
111.04543	1.4
127.04009	2.2
133.02997	1.4
134.03761	6.0
135.04529	53.2
136.04877	2.7
137.02428	0.5
155.03462	1.6
161.02434	3.5
166.83667	0.5
173.04533	3.4
179.03499	51.8
180.03836	3.3
191.05611	100.0
192.05949	5.3
221.47528	0.5
291.40088	0.4
304.77866	0.4
322.45837	0.4
333.76486	0.5
353.08762	21.0
354.09192	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	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67080	0.9
55.01878	3.4
57.03446	16.0
59.01379	6.3
61.22056	1.0
67.01884	2.9
71.01384	7.0
71.55104	1.8
72.99312	2.7
73.02945	3.6
75.00903	1.3
80.67956	1.0
83.01379	7.9
84.02167	2.8
85.02949	100.0
85.76888	1.0
86.03284	2.0
93.03469	2.8
99.00861	1.8
101.02466	4.5
111.00884	20.9
111.04505	1.1
113.02465	1.2
115.04012	1.1
129.01944	39.7
130.02315	1.1
134.03677	2.5
135.04517	8.9
147.04512	9.8
159.03009	4.8
161.02411	1.3
161.04530	2.4
163.04155	1.0
173.04515	6.2
179.03500	8.7
187.02455	1.1
191.05605	39.4
192.05945	2.3
205.03519	19.7
206.03880	1.2
233.04527	4.4
353.08923	6.1
358.17038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
52.46042	0.4
57.03449	0.6
57.97116	0.5
59.01382	4.0
61.98832	1.0
63.42815	0.5
67.01890	1.6
69.90629	0.4
70.61449	1.0
71.01373	1.3
75.02115	0.5
81.03458	1.0
83.05013	0.8
85.02955	9.0
87.00874	1.8
93.03461	10.2
94.03841	0.5
107.05010	0.5
108.63618	0.5
109.02972	1.4
111.04532	2.9
127.03999	2.3
133.02977	1.5
134.03758	1.3
135.04533	27.1
136.04854	2.1
137.02487	2.3
150.56804	0.5
155.03477	2.1
156.94487	0.5
161.02477	2.4
171.02902	0.6
173.04547	31.9
174.04904	1.3
177.01886	0.5
179.03503	25.6
180.03871	1.3
191.05615	100.0
192.05940	4.1
193.83008	0.5
223.42691	0.6
353.08701	6.9
353.15808	0.5
354.09274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
61.99455	0.3
62.11338	0.3
70.25658	0.6
70.26028	0.7
71.01411	0.6
85.02950	5.7
87.00870	1.3
88.44839	0.3
93.03451	2.2
109.02942	0.5
109.42258	0.3
111.04510	0.8
127.04022	1.2
133.02954	0.4
135.04541	2.4
154.13853	0.3
161.02478	1.5
165.15202	0.3
165.78159	0.3
171.57729	0.4
173.04570	3.5
179.03490	2.3
191.05615	100.0
192.05956	4.2
254.98581	0.3
353.08862	2.7
356.78568	0.3
368.90891	0.3
374.04929	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0876
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
57.03445	0.3
59.01365	0.5
60.20584	0.2
67.01888	0.3
68.41731	0.3
69.66129	1.5
71.01399	0.4
81.03428	0.3
82.11695	0.2
83.30003	0.3
85.02949	7.1
87.00883	0.7
93.03027	0.2
93.03470	2.5
98.20605	0.5
99.04550	0.3
103.76681	0.3
108.96566	0.3
109.02966	0.7
111.04520	0.8
127.04012	1.8
131.41010	0.2
132.36055	0.2
133.02945	0.5
135.04543	0.5
161.02431	1.9
162.02733	0.3
169.37650	0.3
171.02974	0.7
173.04535	1.0
179.03499	0.7
191.05603	100.0
192.05943	4.3
233.05328	0.2
254.99408	0.3
256.73199	0.2
271.36880	0.2
353.08786	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	352.2492
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
59.01381	100.0
60.01711	0.6
61.98833	1.9
66.80116	0.6
70.72429	0.9
70.72785	1.1
79.62375	0.5
85.02986	0.6
93.03463	0.5
94.32501	0.5
129.94933	0.5
135.04518	1.3
145.05177	0.6
173.04543	0.8
177.27911	0.5
179.03539	1.0
183.01221	0.7
191.05588	5.2
278.74960	0.6
292.22968	2.2
353.18045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
59.01377	2.0
60.85833	0.4
69.03432	0.4
69.85493	1.8
71.01382	0.8
81.03444	0.5
83.05025	0.5
85.02951	7.0
87.00875	1.5
93.03457	4.0
95.15020	0.4
97.42863	0.4
98.19993	0.7
107.05042	1.1
109.02917	0.6
111.04509	1.8
125.96446	0.5
127.04021	1.9
132.02658	0.4
133.02969	0.7
134.03734	2.9
135.04526	31.8
136.04840	1.5
137.22162	0.4
150.82825	0.4
155.03429	1.1
161.02434	3.2
171.03008	0.5
173.04552	5.8
179.03494	29.3
180.03857	1.7
191.05608	100.0
192.05975	4.4
215.02789	0.4
322.92380	0.4
353.08704	10.0
354.09293	0.8
375.46494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97525	0.6
59.01379	100.0
60.01723	1.2
61.85009	0.6
61.98825	0.9
66.18819	0.7
85.02956	1.1
94.51242	0.7
95.12611	0.6
97.95831	0.7
135.04553	1.7
173.04622	1.3
179.03540	1.9
191.05606	11.9
218.37065	0.6
261.77927	0.7
292.22961	2.2
353.17728	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	352.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72843	1.0
59.01378	100.0
59.21599	1.3
60.01723	1.8
61.98831	2.2
71.54389	1.2
71.95650	1.3
87.83377	1.1
132.18085	1.1
135.04454	1.3
179.03479	1.3
191.05658	11.3
197.11577	1.0
261.77094	1.1
292.22809	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	352.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.0
61.98832	1.1
69.24683	5.9
79.95737	7.0
85.02938	1.0
95.95228	5.7
96.96011	90.2
98.19862	1.3
135.04466	1.3
138.97095	0.8
140.97763	0.6
152.00217	3.8
154.01741	1.0
156.13953	0.6
179.03499	0.7
185.15511	0.9
191.05617	8.5
202.15414	0.6
308.18948	3.5
352.21622	100.0
353.08777	0.7
353.21942	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	352.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02051	0.3
56.63290	0.2
57.03410	0.3
58.02970	3.2
59.01371	1.5
68.03054	0.3
69.36234	1.0
69.36663	1.3
81.03458	1.4
83.05012	0.6
85.02941	1.8
93.03458	1.0
95.05019	1.5
97.06575	0.8
98.20652	0.5
109.06588	1.2
110.09747	0.8
123.04502	1.2
128.10809	10.1
129.11172	0.3
130.08731	100.0
131.09084	3.3
133.02960	0.5
134.03677	0.6
135.04546	2.5
135.08142	2.0
144.31848	0.3
149.06081	2.7
154.08719	2.5
161.02417	0.5
169.54480	0.3
172.09808	3.5
173.04507	1.8
177.09184	1.5
179.03494	2.0
179.07103	0.8
181.08685	0.9
191.05611	9.0
192.13985	0.3
193.05000	0.5
194.05327	0.6
201.68262	0.3
221.08118	0.4
246.18561	1.3
254.13992	0.5
255.78996	0.3
260.68420	0.3
279.06558	0.3
290.17542	3.0
308.18640	13.4
309.19022	1.4
323.05655	0.6
334.16580	5.6
335.16895	0.3
338.07944	0.5
352.17618	45.4
353.10614	0.6
353.17978	6.0
353.22049	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79337	0.5
59.01370	0.7
59.23647	0.4
61.98832	100.0
62.84853	0.5
71.01382	0.8
71.54598	0.6
73.02935	3.1
74.03323	0.8
85.02950	2.4
87.00900	0.8
87.69975	0.5
93.03465	2.4
94.96029	0.5
101.91552	0.5
104.78229	0.4
109.56271	0.5
111.04543	1.1
127.04016	0.6
127.10983	0.5
133.03084	0.5
135.04521	3.6
149.02470	0.5
164.04764	0.6
173.04556	3.8
179.03549	3.5
179.07091	0.5
191.05612	23.6
203.12912	1.2
204.13181	0.8
223.06158	0.8
267.95883	0.6
295.05792	0.6
339.05273	2.2
352.06558	0.6
352.17395	0.7
353.08899	1.0
374.39203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90020	0.5
57.09323	0.5
59.01378	26.3
67.01863	0.6
69.03439	0.5
69.21158	1.3
69.21571	3.2
71.01385	8.7
73.02944	13.2
75.00868	0.8
76.80443	0.5
83.01382	3.1
85.02958	7.7
87.00872	4.6
88.00433	0.6
88.98847	0.8
89.02441	3.3
92.05070	1.9
93.03463	4.2
99.00833	0.7
101.02443	7.3
109.02969	0.6
111.04505	1.7
113.02454	2.6
116.05080	1.4
118.02981	1.9
119.03508	0.7
120.04555	1.7
125.02396	0.6
127.04031	2.5
131.03697	1.2
132.04553	4.5
133.02980	1.3
134.06075	0.7
135.04547	3.4
143.03496	0.8
144.04529	4.6
145.05003	0.5
146.02477	18.5
147.03265	24.0
148.04092	4.4
149.04515	0.5
150.05609	0.7
154.62268	0.5
155.03493	1.0
158.06116	1.3
160.04031	23.1
161.02419	2.2
161.04506	2.7
168.67885	0.6
171.02928	0.7
172.04050	5.6
173.04543	5.6
174.05606	4.2
179.02177	2.5
179.03577	2.8
185.04788	0.7
186.05611	2.3
191.05605	100.0
202.05133	4.2
204.06570	0.7
214.05096	6.4
215.05594	0.5
292.08292	1.7
308.13284	0.7
310.09344	1.9
339.05032	1.5
352.10342	27.2
353.09055	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	351.1196
Annotation	Dibenzo[h,rst]pentaphene
Peak:m/z	Relative Intensity
54.86604	2.2
56.89322	2.0
59.01384	17.5
61.98811	3.0
71.01363	5.0
71.54397	2.0
72.60289	2.1
73.02955	2.2
75.02312	1.9
80.05062	5.3
83.04999	3.0
85.02934	8.8
87.00857	6.4
89.02459	3.7
90.03487	5.1
93.03456	26.5
94.06589	5.1
101.02443	5.1
105.03437	5.6
107.04986	2.8
108.04567	18.4
109.02927	6.5
111.04478	3.4
113.02443	4.0
115.92063	3.8
116.92801	5.1
117.92862	4.0
119.03555	2.8
120.04558	4.6
121.02909	2.7
122.06091	17.3
133.02966	34.1
135.04555	10.7
136.04036	9.8
138.05624	22.7
140.07114	5.0
148.04150	2.4
150.03174	3.1
151.03926	2.3
152.03548	12.2
161.04535	2.5
166.05090	26.0
167.05872	25.2
168.06567	9.2
173.04529	26.3
173.08356	3.1
174.12790	2.6
177.01933	13.0
179.03406	3.7
184.11230	2.8
190.12436	3.5
191.05627	34.0
198.99002	2.2
202.12337	6.8
203.12694	2.5
204.06631	8.0
204.10065	2.7
209.30893	2.0
210.03990	9.1
211.08890	2.2
213.06688	2.7
215.05591	13.5
218.08220	3.6
229.09746	4.8
231.11288	4.6
232.09622	2.8
235.08475	18.8
246.11227	7.9
249.10007	8.6
259.10803	2.9
264.12329	11.1
265.12750	2.3
271.10797	3.2
287.10208	3.0
288.99597	2.3
289.12006	25.0
307.12988	80.1
308.13342	6.8
333.10822	8.4
351.07321	8.1
351.11887	100.0
351.16278	5.2
351.20242	3.3
352.07916	3.7
352.12152	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	351.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08578	0.8
57.28324	0.6
59.01376	100.0
60.01693	1.3
66.90061	0.8
69.23972	6.1
104.43638	0.6
105.31091	0.7
108.31242	0.7
133.02953	1.4
151.63626	0.8
163.17790	0.7
175.11464	0.7
191.05420	0.7
207.86838	0.7
221.08144	0.9
293.93683	0.8
351.14795	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48848	0.3
59.01390	1.6
61.98821	0.6
65.17342	0.3
67.01883	0.5
69.03459	0.4
71.01380	0.5
71.55093	0.7
78.71034	0.3
79.63893	0.3
81.03443	0.8
83.01366	1.8
85.02959	0.6
87.00873	0.7
93.03445	3.3
95.01400	0.4
95.05065	0.4
105.03454	1.0
107.05056	1.2
109.02941	1.9
111.00860	0.4
111.04513	0.9
121.02947	1.0
123.04552	0.5
124.01658	1.9
125.02435	0.9
133.02965	7.8
134.03755	4.0
135.04523	18.4
137.01456	0.6
137.02446	8.3
138.03235	2.0
139.04019	2.2
141.97401	0.3
147.08133	0.5
149.02408	1.2
149.06139	0.8
150.03224	1.7
151.03990	3.4
155.03476	0.4
161.02423	0.9
163.00394	1.5
163.04041	0.6
166.02710	18.2
167.03357	1.5
173.04562	3.8
173.05969	0.4
175.00363	1.1
175.07681	0.9
177.01901	2.5
177.05530	0.7
178.02682	3.8
179.03491	53.9
180.03888	3.3
181.05078	0.6
187.07626	0.7
187.11363	0.5
189.09233	2.3
191.03505	27.4
191.05515	3.2
191.07158	0.7
191.10645	0.4
191.12657	0.3
192.03857	2.1
193.05045	2.8
194.05353	0.4
198.01662	0.4
215.05563	1.9
217.05247	0.4
219.06593	8.7
221.11772	0.7
233.08176	13.8
234.08536	1.2
235.09734	2.5
247.09740	0.7
259.09671	0.3
277.10806	1.5
307.08182	0.9
308.09164	0.5
309.17041	4.3
310.17307	0.4
321.13403	1.1
335.14883	0.7
336.15640	0.3
351.18100	100.0
352.08438	0.4
352.18436	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	351.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34080	1.7
58.63506	1.8
59.01385	14.0
61.98829	3.0
67.01884	7.7
68.90826	1.8
69.03466	2.2
69.47494	4.3
69.47888	12.6
71.01384	4.6
77.03979	2.7
83.05030	2.5
85.02959	7.2
87.00860	11.5
88.30504	1.9
93.03459	50.8
95.05035	6.5
95.55855	1.7
99.04578	2.3
105.03480	14.2
107.05042	5.7
108.02161	2.1
109.02959	18.9
111.04508	10.4
117.89869	2.1
123.04504	8.2
125.02415	1.8
125.42311	2.0
129.01991	2.4
130.08780	4.3
133.02968	100.0
134.03334	3.4
135.04530	41.3
135.05545	3.8
137.02457	2.6
149.02504	2.9
150.03218	9.9
151.03978	5.0
155.03520	4.3
157.05003	2.2
161.02420	3.8
173.04556	71.5
173.06067	3.8
177.01920	38.4
178.02568	2.5
179.03525	13.1
185.71149	2.1
191.05611	52.4
195.02989	2.6
214.28557	1.9
215.05611	44.1
273.95425	2.4
307.08200	11.0
351.07220	31.7
352.07629	3.1
366.54694	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48761	0.8
56.52007	1.0
57.03444	1.0
59.01391	7.1
60.99305	1.7
67.01891	8.3
69.03461	2.1
71.01379	5.3
73.02940	0.9
77.03971	3.5
81.03448	2.1
83.05031	2.2
85.02924	5.2
87.00888	8.9
88.86880	0.9
89.03985	1.0
91.05520	1.3
93.03464	50.9
94.03796	1.5
95.05019	4.8
99.04473	0.9
105.03459	19.3
107.05042	5.2
108.02225	1.1
109.02953	14.8
111.04536	8.9
112.04837	1.0
117.03451	1.4
121.02957	2.0
123.04526	7.6
127.04040	1.5
127.67379	1.0
129.01929	1.7
132.02167	1.2
133.02965	100.0
134.03233	5.0
135.04523	23.2
137.02441	2.4
147.04489	5.5
149.02452	3.1
150.03235	7.7
151.03993	2.4
155.03500	3.7
161.02434	4.4
173.04546	67.8
174.04863	3.0
177.01933	37.8
178.02243	1.8
179.03510	10.1
191.05618	45.0
192.05908	1.6
193.95770	1.1
195.02985	1.8
196.58852	0.9
215.05614	37.0
216.05933	1.6
307.08096	4.9
329.07440	0.9
351.07224	24.5
351.11331	1.6
352.07614	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	350.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40897	0.9
59.01380	100.0
60.41980	0.9
70.71950	2.5
136.29179	0.9
161.15672	0.9
175.14911	1.7
198.93654	0.9
215.16019	0.8
222.70061	1.3
261.73053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01704	2.2
61.98825	5.3
63.43912	1.3
70.65112	2.9
95.27840	1.3
98.20644	1.1
99.05199	1.0
116.38528	1.1
175.14919	1.8
250.87619	1.1
288.12347	1.7
290.21268	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	351.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48761	0.8
56.52007	1.0
57.03444	1.0
59.01391	7.1
60.99305	1.7
67.01891	8.3
69.03461	2.1
71.01379	5.3
73.02940	0.9
77.03971	3.5
81.03448	2.1
83.05031	2.2
85.02924	5.2
87.00888	8.9
88.86880	0.9
89.03985	1.0
91.05520	1.3
93.03464	50.9
94.03796	1.5
95.05019	4.8
99.04473	0.9
105.03459	19.3
107.05042	5.2
108.02225	1.1
109.02953	14.8
111.04536	8.9
112.04837	1.0
117.03451	1.4
121.02957	2.0
123.04526	7.6
127.04040	1.5
127.67379	1.0
129.01929	1.7
132.02167	1.2
133.02965	100.0
134.03233	5.0
135.04523	23.2
137.02441	2.4
147.04489	5.5
149.02452	3.1
150.03235	7.7
151.03993	2.4
155.03500	3.7
161.02434	4.4
173.04546	67.8
174.04863	3.0
177.01933	37.8
178.02243	1.8
179.03510	10.1
191.05618	45.0
192.05908	1.6
193.95770	1.1
195.02985	1.8
196.58852	0.9
215.05614	37.0
216.05933	1.6
307.08096	4.9
329.07440	0.9
351.07224	24.5
351.11331	1.6
352.07614	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	350.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85133	0.8
58.29588	0.7
59.01380	100.0
60.01704	1.1
61.98834	1.7
70.54319	2.1
75.94551	0.8
79.63968	0.7
82.37324	0.7
93.88947	0.7
98.76868	0.8
114.05591	0.8
130.08737	2.1
156.10263	2.5
173.17943	0.9
262.18127	1.9
306.68030	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68974	1.0
53.28682	1.1
56.03073	1.0
59.01381	100.0
60.01730	2.0
61.98825	2.4
71.54549	1.7
79.42783	1.0
83.22123	1.4
91.13352	1.1
116.92855	1.7
193.68304	1.2
209.13353	1.4
221.33673	1.3
290.21362	5.6
317.05170	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
61.98831	100.0
68.99579	2.1
70.14745	2.6
78.23988	0.6
79.95747	0.9
85.02970	0.7
95.07653	0.7
103.11995	0.6
108.02209	1.7
112.98591	2.2
133.02945	0.8
144.04572	1.2
166.37242	0.6
182.70871	0.6
188.09599	0.8
351.04092	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	350.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33744	3.2
54.59540	3.2
55.96041	3.0
59.01379	100.0
61.98830	4.8
69.44839	2.9
71.01392	4.0
71.52797	3.9
85.02968	23.2
96.96046	4.0
98.02474	4.6
98.06120	2.9
100.04115	3.9
114.05630	6.7
115.92001	3.4
116.64207	3.1
133.02969	4.1
140.07167	5.5
142.05077	3.8
154.62968	2.9
156.03246	3.0
192.11649	3.3
202.12120	3.1
202.58252	2.8
220.14661	24.1
221.15500	33.6
236.10526	29.8
290.17694	32.6
293.17532	9.2
351.13541	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	56.8
61.98810	32.4
63.13622	13.9
69.46696	100.0
71.29698	14.1
98.20623	31.7
171.10211	21.5
193.44293	15.3
257.52692	16.1
293.21286	41.0
311.22302	77.0
331.16821	16.0
342.53159	19.2
351.33047	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	349.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	56.8
61.98810	32.4
63.13622	13.9
69.46696	100.0
71.29698	14.1
98.20623	31.7
171.10211	21.5
193.44293	15.3
257.52692	16.1
293.21286	41.0
311.22302	77.0
331.16821	16.0
342.53159	19.2
351.33047	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	349.1867
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01872	1.0
57.03437	0.7
58.00595	0.4
59.01379	10.8
59.25324	0.3
61.98811	0.5
71.01379	11.6
71.55291	0.6
72.99288	1.0
73.02948	4.7
79.11214	0.3
83.01383	2.5
85.02946	4.6
86.07882	0.4
87.00860	1.4
89.02435	1.6
93.03455	10.7
95.01386	1.5
99.00874	1.5
101.02439	6.7
108.02206	0.3
113.02419	2.2
114.31657	0.4
118.24270	0.4
121.02939	2.7
125.02451	0.7
139.11284	0.4
141.12859	5.8
142.13171	0.5
165.01938	2.3
169.12338	0.8
175.07578	0.6
187.13388	31.6
188.13750	2.1
191.05417	0.4
220.19264	0.3
227.13020	0.5
231.10201	1.2
277.14273	0.5
331.17493	2.7
332.18164	0.4
349.18646	100.0
350.19016	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	349.1867
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01872	2.6
57.03438	3.2
58.00578	2.8
59.01382	100.0
60.01705	1.9
70.86391	1.2
70.86739	1.6
71.01385	70.6
72.01727	1.8
72.99323	4.6
73.02948	11.7
74.99092	7.6
75.00861	1.5
83.01396	6.7
85.02457	1.7
85.02954	24.3
85.03469	1.4
87.00887	5.3
87.04489	1.9
89.02450	51.6
95.01397	5.0
97.02936	1.5
97.06593	0.8
99.00873	4.0
99.04548	4.3
99.92561	0.9
101.02450	45.4
102.02812	1.4
113.02457	31.0
114.02766	1.4
116.92860	3.5
117.97243	1.1
119.03510	20.9
121.02931	1.6
123.04538	0.9
125.02423	1.7
131.03517	2.8
135.98326	3.2
136.99139	9.0
143.03508	5.3
147.03023	0.8
149.04518	1.2
159.02975	3.8
161.03276	1.3
161.04561	21.5
162.04816	1.2
179.05635	7.0
187.13443	7.0
188.13615	0.9
201.11320	5.2
211.09763	1.2
213.11166	1.0
219.10596	1.8
252.58504	1.0
261.07971	1.3
295.84338	0.9
349.00256	1.6
349.05774	1.4
349.09790	8.8
349.14764	4.6
349.18658	55.7
350.19006	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	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01715	1.4
69.55189	2.9
69.55596	0.9
71.01408	2.2
81.30308	0.5
84.68337	0.5
89.02457	1.4
101.02503	0.9
101.41911	0.6
106.17417	0.6
110.81559	0.6
113.02390	0.7
211.28046	0.6
211.94861	0.5
220.23712	0.6
258.66248	0.6
301.55161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1655
Annotation	7alpha-Hydroxyeurycomalactone
Peak:m/z	Relative Intensity
57.03440	1.2
57.84667	0.4
59.01384	3.6
61.48848	0.3
69.59160	2.4
70.29189	0.3
71.01376	1.4
73.02944	1.0
85.02917	0.4
88.09156	0.4
89.02457	0.7
98.19939	0.7
101.02436	0.6
101.06074	5.5
102.04417	0.4
105.59696	0.3
113.02372	0.4
114.25614	0.4
120.99599	0.5
161.09705	1.0
175.11226	1.5
201.11127	0.4
203.07138	0.5
203.14328	0.5
205.15950	2.5
206.16409	0.4
219.10329	0.6
231.13898	1.4
243.17485	3.2
257.15604	0.8
259.16974	2.5
261.18625	2.7
275.12891	1.0
287.16568	4.6
288.16730	0.5
305.17560	19.4
306.17804	2.7
308.14960	0.4
331.15472	2.1
349.16544	100.0
350.16879	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	349.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.7
57.03446	3.5
58.00580	4.1
59.01381	100.0
63.96230	1.6
69.03419	1.4
69.34900	4.6
69.35323	3.8
71.01383	80.7
71.05015	1.1
72.01722	1.6
72.99312	4.6
73.02946	25.7
74.99097	36.8
75.00866	1.5
83.01385	6.4
85.02950	21.9
87.00890	7.1
87.04544	2.6
89.02447	56.2
89.52062	1.2
95.01390	4.4
97.02941	1.9
98.04920	1.2
98.20630	1.7
99.00893	3.1
99.02734	2.2
99.04553	1.7
101.02446	56.5
102.02808	1.3
111.00911	1.2
113.02455	29.4
113.83014	1.0
119.03505	26.5
120.99637	1.1
125.02466	1.3
125.09733	1.9
127.07690	2.0
131.03543	2.4
134.70235	1.1
135.98352	1.7
136.99146	20.8
137.09715	1.8
139.11302	1.7
141.73622	1.2
143.03526	6.2
149.04584	2.1
159.02971	3.5
161.04561	22.8
162.04860	1.0
162.63907	1.4
179.05626	10.3
187.13402	9.9
199.07939	2.7
199.63281	1.1
201.11324	8.0
213.11311	2.4
217.10808	5.3
244.33835	1.1
331.17548	4.3
349.09589	25.0
349.14841	10.7
349.18671	57.1
350.09912	2.5
350.19028	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	349.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	21.6
67.67697	2.8
69.79865	16.2
71.01385	14.1
74.00214	2.9
77.26158	3.2
79.38095	2.8
83.89759	3.1
89.02453	23.4
101.02412	17.3
113.02420	5.2
119.03513	9.0
124.48775	3.2
131.03494	3.6
149.04565	5.9
151.06154	7.0
179.05594	8.8
201.18777	3.2
289.02307	4.1
313.11398	100.0
314.11740	9.3
315.64429	3.5
349.09241	58.9
350.09570	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	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
58.00595	1.0
59.01381	100.0
60.01720	0.9
61.98834	3.1
68.15413	0.6
68.75155	0.8
68.93822	0.7
69.40343	2.6
69.40767	3.7
71.01382	21.0
72.30134	0.8
72.39643	0.7
72.99316	1.8
73.02935	3.5
74.99094	4.7
83.01395	2.2
85.02946	5.3
87.00903	1.4
89.02449	19.0
95.01395	1.1
96.96017	8.3
98.20681	1.3
99.00893	1.0
99.04539	1.2
99.92569	0.8
101.02441	12.5
113.02454	9.0
115.92104	1.5
116.92880	3.4
119.03494	7.8
122.32730	0.7
124.46963	0.8
136.99174	2.7
143.03471	1.4
161.04558	5.2
179.05559	3.6
187.13449	2.1
195.27676	0.7
201.87181	0.8
227.13034	1.1
260.56149	0.8
349.06076	8.1
349.09674	2.3
349.13547	1.9
349.18634	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0597
Annotation	CHEBI:75389
Peak:m/z	Relative Intensity
55.01870	0.8
57.03442	0.5
59.01384	20.1
61.98836	1.2
71.01388	6.3
72.99297	0.9
73.02957	2.0
73.52290	0.4
74.64873	0.3
74.95808	0.4
74.99104	2.7
79.95733	3.4
80.96542	0.9
81.06516	0.4
83.01382	1.0
84.02171	0.4
85.02958	3.2
87.00865	0.9
89.02440	2.8
96.96017	100.0
98.20665	0.7
98.30586	0.4
99.00883	0.8
99.92584	0.6
101.02443	5.4
101.41283	0.4
109.76882	0.4
111.24574	0.4
113.02472	3.1
115.92096	1.0
116.92868	3.1
119.03487	1.2
122.97581	1.0
136.99150	3.7
138.97084	0.9
141.09236	0.5
143.03519	0.6
150.97073	1.0
152.98636	1.6
161.04547	1.9
180.98183	3.6
181.01331	0.5
187.13443	0.6
199.08052	0.6
201.11313	1.2
241.00232	5.2
261.08072	0.9
287.99646	0.5
306.00610	0.5
313.41971	0.4
349.05988	96.8
349.18661	2.7
350.06287	8.7
350.10419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.08278	5.7
61.09685	5.5
61.98835	10.9
64.76120	5.8
71.01384	42.7
71.53487	5.8
73.02927	9.7
77.48659	5.4
85.02945	15.9
89.02438	9.8
97.02982	7.0
99.00829	5.8
101.02426	19.9
107.05029	55.5
113.02447	11.1
121.06589	6.3
135.94514	5.3
151.03995	41.7
161.04543	21.4
167.07100	9.4
174.01671	55.6
197.07666	6.2
211.06178	16.3
218.85342	6.3
271.08200	14.2
313.09283	8.7
349.14972	11.3
361.17639	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	348.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01722	1.1
61.98838	3.0
62.16490	0.8
71.00505	1.3
85.42588	0.7
132.14758	0.6
154.88133	0.6
176.12314	0.7
197.61940	0.7
204.18098	0.7
240.00423	0.7
253.79303	0.6
283.93079	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.2
61.98826	100.0
62.98523	0.2
63.45830	0.1
63.99263	0.2
70.69907	0.1
70.70248	0.2
78.58022	0.1
96.60224	0.1
127.68983	0.1
143.14700	0.1
147.96088	0.1
162.97081	0.1
162.98448	2.0
163.98553	0.2
164.96352	0.4
204.00034	0.4
205.00090	0.5
205.99667	0.6
206.97429	72.5
207.97527	6.1
281.92972	0.1
293.18817	0.1
348.98517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98823	8.7
67.30001	1.2
69.77193	7.2
98.20549	2.1
114.05618	1.8
162.83801	1.2
162.94418	1.2
219.50163	1.4
238.55620	1.5
271.35583	1.2
288.19678	1.2
351.89188	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	348.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01701	1.6
60.42666	0.6
61.98842	1.2
66.42682	0.6
70.46212	0.6
71.53317	1.0
76.17305	0.6
93.76051	0.6
134.18219	0.7
143.05830	0.6
159.71864	0.6
167.14702	0.7
182.11913	2.9
189.42448	0.7
288.19812	2.4
294.32755	0.8
349.20459	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55079	0.5
57.03457	1.0
59.01377	5.2
61.68001	0.5
61.98831	100.0
62.10830	0.5
67.43739	0.4
71.01390	2.9
73.02962	1.5
76.91728	0.6
83.01384	0.7
83.05070	0.6
85.02946	4.7
88.98812	1.3
89.02458	1.2
94.15081	0.5
98.20634	1.5
101.02457	1.7
111.00944	0.5
113.02483	1.6
118.98119	2.1
120.99674	0.6
123.04564	1.0
124.04835	1.5
125.09779	0.7
129.02019	0.7
147.03014	0.9
161.04587	0.8
191.02014	1.0
191.05771	0.5
198.18559	0.5
200.10165	1.2
214.98045	0.5
217.10878	0.7
241.24507	0.5
261.08047	0.6
348.17831	0.7
349.10010	1.5
349.15042	2.1
349.18762	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.4
61.98827	13.9
65.00323	1.5
69.16817	9.2
71.01400	0.8
75.55206	0.8
83.01378	1.2
85.36144	0.8
93.98790	0.9
101.02422	1.2
107.01387	2.6
133.02946	12.2
145.23756	0.8
148.40831	0.9
149.02428	2.7
151.00351	4.5
157.88223	0.8
175.03963	3.9
199.04018	2.5
217.05034	1.8
223.13313	1.4
228.88348	0.8
241.05194	1.9
243.02936	1.0
270.63770	1.0
285.04041	100.0
286.04437	10.8
349.16638	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76818	10.9
52.69395	11.9
59.01364	12.1
61.98825	26.1
67.58842	11.5
74.42463	11.4
83.05029	14.2
98.19887	31.9
145.05028	12.9
173.75049	14.0
229.10986	13.5
293.21307	24.0
311.22220	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	347.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94920	13.1
59.01381	20.0
61.98809	33.1
67.95609	11.4
71.54556	20.2
74.84528	12.7
83.05001	17.7
91.38146	13.1
119.19660	12.2
171.10284	14.6
190.97516	13.2
197.87383	13.6
211.13383	21.9
291.63348	13.3
293.21271	100.0
311.22198	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.4
57.03445	0.8
58.00585	2.0
59.01382	45.9
60.01707	0.6
69.36861	3.2
71.01385	23.5
71.01782	1.1
72.99318	1.3
73.02945	6.8
83.01388	1.9
85.02957	6.7
87.00874	1.1
89.02450	18.5
95.01377	1.5
99.00914	0.6
101.02442	13.9
104.79475	0.4
113.02464	8.1
119.03515	7.2
135.04492	1.2
140.53159	0.5
142.99080	1.3
149.05902	0.5
155.10756	1.2
161.04533	0.7
167.10794	11.0
168.11172	0.6
176.03949	0.5
184.01326	0.5
184.20053	0.4
185.11824	5.1
225.68495	0.5
259.10123	0.9
268.18640	0.6
347.17102	100.0
348.17447	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	347.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10844	12.7
54.59542	14.1
59.01379	100.0
61.98816	39.0
71.53625	16.7
71.54051	24.1
93.50504	14.0
134.79898	16.0
136.89243	22.0
171.10229	21.1
204.94455	14.1
258.08203	14.2
274.25214	14.6
293.21292	26.0
311.22205	22.4
314.21222	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	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19228	1.0
57.03443	2.0
57.05203	1.2
58.00582	3.8
59.01383	100.0
60.01681	1.4
65.52847	1.2
69.28407	4.2
69.28825	5.5
71.01387	51.6
72.01697	1.3
72.99299	3.2
73.02948	4.4
83.01382	3.1
83.05014	1.8
85.02959	12.2
87.00906	2.1
89.02451	61.4
90.02780	1.7
95.01405	3.6
101.02454	36.4
113.01726	1.9
113.02459	26.5
115.26525	1.3
119.03507	30.2
131.03487	3.4
143.03496	4.2
145.05045	1.4
149.04552	1.4
155.10774	1.5
161.04550	4.7
167.10756	7.5
179.05591	5.8
185.11810	14.9
199.09787	1.2
205.98775	1.3
261.11496	1.6
320.47940	1.4
347.12665	2.9
347.17093	86.9
348.17410	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	347.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93509	0.8
55.01872	2.4
57.03458	1.0
58.00583	1.1
59.01382	47.1
69.26334	3.9
69.26761	2.5
71.01385	26.7
72.99306	2.2
73.02949	5.5
74.17313	0.7
75.00874	1.1
83.01395	2.3
85.02958	7.1
87.00863	1.4
89.02455	21.4
91.15471	0.7
95.01398	2.5
97.02932	0.8
99.00887	1.4
101.02441	17.6
110.92732	0.7
111.00847	0.8
113.02453	9.2
119.03519	7.1
126.35670	0.7
137.09654	0.8
143.03494	0.9
155.10791	18.2
156.11076	0.9
161.04561	1.3
163.00404	0.8
165.04002	2.3
167.10774	18.3
168.11086	1.3
169.12364	1.0
179.05629	0.8
185.11792	4.1
199.09747	8.1
289.84543	0.7
347.13754	4.7
347.17108	100.0
348.17468	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.171
Annotation	Schizonepetoside E
Peak:m/z	Relative Intensity
55.01869	3.5
57.03440	2.7
58.00591	3.2
59.01379	100.0
60.01715	1.4
69.56738	1.8
69.57149	3.5
71.01380	78.6
72.01717	1.2
72.99318	3.4
73.02947	8.3
75.00889	1.2
83.01398	3.9
85.02949	20.8
87.00872	4.9
89.02443	70.1
90.02786	1.0
95.01376	5.7
97.02953	0.8
97.06586	5.2
99.00901	2.7
99.04559	2.4
101.02442	43.6
113.02447	30.8
115.07673	1.8
119.03492	32.5
119.04336	1.6
121.06629	1.0
123.04539	3.3
125.02439	1.1
129.01929	1.7
131.03540	3.7
141.05574	4.5
143.03493	4.7
147.03032	1.6
149.04562	3.0
149.09735	0.9
159.02997	1.5
161.02570	1.1
161.04552	10.4
167.03555	1.1
167.10760	1.6
179.05591	6.3
185.11842	2.1
199.09756	15.4
229.70567	0.8
242.08279	0.7
249.09782	1.0
251.08102	0.8
285.12521	1.0
311.14951	1.0
329.11526	1.2
347.13260	10.1
347.17300	8.8
348.17413	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97316	0.5
59.01115	0.6
59.01382	9.0
61.98810	1.5
69.79685	1.6
71.01379	8.4
74.02448	0.8
84.00896	0.9
84.04532	0.8
95.05025	3.7
101.02464	0.6
110.02518	0.5
112.04044	40.7
113.02428	1.3
113.04378	1.2
119.41277	0.5
122.06076	0.9
123.04525	0.6
124.04035	11.5
125.02469	0.6
125.06064	0.8
126.05607	5.0
138.05592	1.4
138.09209	0.9
140.02238	1.3
140.07172	4.5
141.05579	1.0
154.05104	8.0
164.07211	0.7
166.05086	100.0
167.05464	4.2
182.08205	34.7
183.08543	1.8
184.06163	9.3
184.07811	0.7
185.02248	0.6
208.06105	1.0
218.01738	0.6
226.07204	10.6
328.10452	2.3
346.11432	35.4
347.11749	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	345.207
Annotation	3beta,19-Dihydroxyandrost-5-en-17-one 3-acetate
Peak:m/z	Relative Intensity
59.01380	81.0
61.98833	1.8
71.52193	2.1
72.84969	1.1
104.62693	1.0
130.04251	7.8
134.89497	1.4
139.76254	1.2
143.05005	5.6
144.05798	10.9
145.06616	7.6
146.07362	4.6
156.05804	4.2
158.03780	1.3
164.98230	1.5
175.03944	1.4
176.04773	3.2
178.06335	4.2
180.00594	1.1
215.14386	3.3
223.43526	1.1
227.14507	1.4
255.17540	6.1
257.19162	1.5
267.17499	5.2
273.18655	1.5
283.17316	1.6
285.18594	83.9
286.18939	8.7
303.19644	53.9
304.19949	7.4
327.19653	16.2
328.19687	2.3
345.20685	100.0
346.21014	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	346.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43342	0.2
59.01382	4.1
60.01702	0.3
61.98830	100.0
64.39066	0.2
66.06580	0.2
69.94493	0.5
69.94900	0.8
88.17065	0.2
156.01469	0.2
201.02583	0.6
202.02710	1.5
202.98891	0.2
203.02261	1.8
203.99988	45.1
205.00122	4.0
346.00912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.2
61.98808	2.8
65.88261	0.7
69.41375	5.6
70.03014	0.7
71.01385	12.4
73.02940	0.7
74.02463	1.8
77.76692	0.8
78.95893	2.1
83.01360	0.9
84.00901	1.3
85.02944	2.9
87.00894	1.1
89.02434	2.4
95.05012	3.2
96.96978	1.3
101.02453	3.4
111.23801	0.7
112.04043	41.2
113.02428	2.5
113.04436	0.8
119.03473	1.3
122.06095	3.0
124.01653	1.0
124.04053	11.7
125.02396	1.0
126.05618	5.3
128.03539	1.0
130.08760	1.2
138.05565	0.8
138.09187	1.0
139.04012	1.5
140.02295	2.1
140.07204	5.1
141.02658	1.2
154.05096	8.6
154.76753	0.7
161.04529	3.3
164.07188	0.7
166.05084	100.0
167.05478	4.0
172.51157	0.7
182.08203	35.9
183.08539	2.0
184.03433	0.8
184.06131	10.3
205.35286	0.8
208.06114	1.0
210.99992	1.4
211.80222	0.6
226.07224	7.9
244.52748	0.7
267.09839	1.3
328.10373	3.1
328.14270	0.7
346.11459	38.4
347.11923	2.6
347.17252	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	345.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35512	29.9
59.01374	56.1
61.98830	43.0
64.53641	28.6
89.74638	42.5
107.43264	32.7
127.78574	32.8
134.89407	47.3
136.89142	44.8
140.02092	34.6
182.02196	58.9
207.66969	33.0
309.20615	100.0
316.38821	37.6
345.08350	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28330	25.4
59.01373	55.7
61.98820	70.5
70.44163	71.8
79.93572	23.6
84.35957	26.1
111.00896	27.8
116.92840	41.0
123.04503	32.2
134.89470	33.3
139.00372	51.1
154.71745	24.1
165.99011	25.4
166.99857	66.7
171.10242	22.3
194.99223	33.1
274.04565	48.0
278.06171	26.3
291.19684	91.1
302.04227	67.5
309.20642	76.6
315.01450	33.8
317.06686	41.2
330.03598	95.2
345.05991	100.0
359.04376	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22572	0.2
59.01389	1.2
59.69349	0.2
65.05766	0.2
69.96162	1.2
71.01377	0.6
73.02938	1.8
98.20670	0.3
103.04037	0.4
131.03474	1.5
167.14473	0.3
183.13890	13.8
184.14235	1.0
195.13885	12.8
196.14244	1.2
196.62779	0.2
211.13358	0.3
213.14946	100.0
214.15279	7.7
216.24117	0.3
285.20413	0.3
303.21735	2.2
307.23624	0.2
326.79514	0.2
345.19174	4.6
345.22882	0.6
346.19397	0.6
351.85239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1707
Annotation	Xerophilusin B
Peak:m/z	Relative Intensity
59.01379	1.4
61.98822	1.5
66.56422	1.0
69.94293	3.5
69.94646	1.9
84.61643	1.1
98.19989	2.0
102.31835	1.1
105.03457	3.1
108.81290	1.0
123.04525	1.4
132.02168	3.6
133.02974	31.7
134.03770	9.6
134.89482	1.9
135.89499	1.5
136.89134	1.9
149.06091	9.7
160.01651	25.3
161.02061	1.3
175.03993	24.4
176.04393	1.9
177.01952	10.9
190.29552	1.0
193.05051	3.5
222.73849	1.4
330.03836	1.3
330.14716	37.2
331.15082	6.4
345.17062	100.0
346.17413	11.2
358.75589	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1555
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
57.03450	5.7
57.39181	0.7
59.01378	9.5
69.03455	16.7
70.94728	1.2
70.95066	0.8
71.01381	11.1
71.05023	7.1
72.99311	10.9
73.02950	11.3
73.06636	0.7
75.00870	29.1
80.41555	0.8
81.03467	7.5
82.87162	0.7
84.02174	0.8
85.02966	0.9
87.00884	1.3
87.04517	3.0
89.02449	2.1
89.35226	0.8
97.02902	1.0
99.00863	4.9
99.04512	14.7
101.02471	0.9
103.20163	0.7
107.74976	0.8
111.08172	4.0
113.02536	0.9
113.06075	2.0
115.04026	1.6
123.08163	1.2
137.09724	0.9
139.11287	22.8
140.11554	0.9
143.03508	11.0
159.02924	1.1
161.04565	34.8
162.04936	1.8
168.84889	0.9
177.84920	0.8
179.05573	2.8
183.10257	100.0
184.10585	6.3
345.15540	79.6
345.19934	1.8
346.15811	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	345.1553
Annotation	(-)-Nepetaside
Peak:m/z	Relative Intensity
55.01873	0.7
57.03456	3.9
58.00604	0.6
59.01380	16.7
61.98837	0.7
69.03450	6.1
69.75082	3.3
71.01382	8.0
71.05009	3.0
72.99308	1.4
73.02939	3.7
74.00688	0.8
74.99102	0.7
75.00874	4.3
81.03462	6.4
83.01403	1.2
85.02950	2.9
87.00844	3.1
89.02444	11.1
95.01384	2.2
97.02958	0.6
98.20561	0.9
99.00879	1.4
99.04514	8.9
101.02448	4.7
111.08141	1.1
113.02451	4.1
113.06107	0.8
119.03513	0.8
120.79176	0.6
120.99667	2.2
123.08170	1.3
125.02448	0.6
125.06100	5.2
131.03519	0.7
139.11281	8.0
140.11681	0.8
143.03471	1.6
161.04549	25.0
165.09221	0.7
179.00262	0.7
179.05594	2.3
181.98619	0.7
183.10251	100.0
184.10620	6.5
189.17752	0.6
195.93173	0.6
239.42638	0.6
301.16315	0.9
345.10413	2.3
345.15500	28.3
346.15866	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	345.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.1
59.01383	6.4
60.47340	0.5
70.81896	1.6
71.01392	11.4
73.02944	2.9
79.05550	5.2
81.03469	3.6
83.01405	0.8
85.02956	3.4
88.87199	0.6
89.02472	0.6
95.01387	0.7
99.00906	1.8
101.02441	6.2
113.02450	5.3
120.24149	0.6
123.04530	100.0
124.04871	4.4
125.02462	0.6
130.11470	0.7
139.03998	1.3
143.03502	0.7
158.81171	0.7
159.02940	1.5
161.04558	17.6
162.04865	0.6
258.46497	0.6
285.09766	5.9
345.08563	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1554
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
51.80573	1.1
56.66840	1.3
57.03451	5.7
59.01380	26.1
69.03459	14.6
69.95657	2.1
69.96053	2.9
71.01385	11.2
71.05022	3.3
72.99323	1.5
73.02946	3.8
75.00879	4.0
76.28412	1.1
81.03461	4.8
81.08383	1.1
83.69302	1.1
85.02952	3.0
87.00843	1.7
89.02451	16.9
93.03405	1.5
94.41122	1.2
95.01363	2.3
99.00875	2.2
99.04535	7.5
109.58778	1.4
111.00927	1.6
111.08160	2.6
113.02431	5.4
113.06119	1.4
123.08125	1.5
132.04539	2.9
135.04514	4.3
135.08156	3.5
139.11299	18.9
143.03497	3.5
152.65221	1.2
152.66502	1.2
160.01649	1.5
161.04564	34.1
161.05904	2.4
161.09735	1.4
163.11348	1.8
165.04303	2.6
175.03947	1.7
179.03465	4.8
179.10745	5.3
183.10269	100.0
184.10623	6.7
193.04971	1.6
225.14963	1.1
241.08693	1.3
257.08591	2.4
257.12869	1.9
258.06198	1.9
259.10089	1.2
270.80151	1.1
301.11530	1.4
345.10269	14.9
345.15500	47.0
346.15866	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	345.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	22.1
71.01409	0.6
71.09143	1.2
81.59737	0.6
93.03461	5.0
96.47849	0.5
121.02953	26.2
122.03304	1.1
123.04525	100.0
124.04858	3.8
231.02161	0.6
254.15182	0.7
285.09790	1.1
294.75073	0.5
346.16177	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.6
70.08395	3.2
71.01384	2.8
74.67908	0.7
78.77810	0.7
83.01429	1.0
84.04534	0.9
85.01163	0.7
85.02971	1.2
89.02457	1.5
93.03419	0.9
95.03762	3.4
96.04581	1.1
96.08196	1.4
101.02429	1.0
104.05080	2.5
106.06629	8.1
108.04589	0.9
113.02454	0.8
118.42635	0.8
119.03550	0.9
121.02920	0.7
121.05357	0.7
122.06135	3.4
123.03243	0.7
124.07684	8.9
132.04556	55.1
133.05356	30.5
134.06171	8.7
136.03992	0.7
138.05623	1.4
146.02448	0.8
148.04060	3.1
150.05592	2.7
161.04588	0.8
162.20204	0.7
165.04308	31.9
166.04665	1.4
176.03589	1.4
176.07115	1.2
177.04303	6.2
178.04948	1.9
183.10295	2.8
186.09230	7.3
198.09258	1.9
201.71014	0.7
209.03299	9.2
213.06700	4.7
214.12363	10.4
215.11874	10.6
221.31320	0.7
226.07448	1.4
227.08289	1.4
229.09779	5.2
240.10364	1.5
241.09833	4.6
254.26611	0.7
255.11415	1.0
257.12943	34.1
258.13342	4.3
258.73615	0.7
283.10876	11.9
284.11047	1.6
301.11917	32.1
302.12378	3.9
327.09830	2.4
343.44684	0.8
345.10901	100.0
346.11182	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	345.1089
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
52.29179	0.3
56.82703	0.4
59.01381	1.9
61.98796	0.4
68.99835	0.4
69.21278	0.4
69.40139	2.9
71.01389	1.3
73.02960	0.8
80.05056	0.4
83.01395	0.4
84.04541	1.0
88.20438	0.4
89.02431	0.7
94.03002	0.6
94.06612	0.5
95.03787	1.9
96.04537	0.6
96.08170	0.7
97.01698	0.6
101.02420	0.6
104.05057	1.0
106.06626	5.1
106.92980	0.4
107.01379	0.5
110.06118	0.4
112.04009	0.5
122.02428	0.6
122.06143	2.9
123.03270	0.6
124.07673	5.9
128.97736	0.4
132.04555	34.3
133.05347	18.7
133.06876	0.5
134.06145	5.4
134.85185	0.4
138.05609	0.9
146.02470	0.8
146.06070	0.4
148.04030	2.3
150.05559	1.1
159.05530	0.4
160.07779	0.5
165.04301	24.9
166.04601	1.2
176.03542	0.8
177.04277	3.4
178.05034	1.7
183.10236	1.5
184.07637	1.2
185.08461	0.5
186.09253	4.8
187.08745	0.5
198.09300	0.7
209.03281	5.5
212.55894	0.4
213.06685	2.9
214.07156	0.4
214.12347	6.3
215.11833	6.5
215.24130	0.4
216.12117	0.7
226.07439	1.3
227.08223	0.9
229.09834	3.7
239.08292	0.6
240.10207	1.7
241.09863	3.8
242.10124	0.5
255.11391	1.0
257.12958	22.0
258.13416	2.3
268.08453	0.6
273.08862	0.6
283.10864	8.2
284.11252	1.3
301.11914	16.3
302.12265	1.8
304.64206	0.5
320.09167	0.4
327.03677	0.5
327.09830	1.2
345.10895	100.0
346.11230	12.7
346.15179	0.4
362.09213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41436	0.5
54.26624	0.5
55.01898	1.3
59.01380	5.4
61.98832	5.4
69.60976	1.2
69.61409	2.0
71.01374	3.3
71.05022	6.6
72.99316	1.6
73.02956	0.9
74.02480	1.2
78.95921	2.2
83.01408	1.2
85.02975	1.3
89.02460	1.4
95.01418	0.9
95.05016	4.4
96.96990	1.1
97.02953	20.4
98.03278	0.7
98.50004	0.5
101.02420	1.4
108.02248	1.0
111.04510	0.6
113.02429	0.8
119.03575	0.8
119.05018	1.5
120.04543	0.6
121.02959	1.3
121.05013	0.6
123.00875	3.4
124.01675	0.8
127.56828	0.6
134.04689	0.7
135.04555	1.4
137.02477	1.9
138.05609	0.7
139.04015	100.0
140.03435	0.7
140.04346	4.0
161.04506	0.8
163.04007	1.5
164.03543	1.2
164.49600	0.6
165.01906	11.9
165.03967	1.4
166.02307	0.9
166.05127	1.5
181.05167	0.6
183.02971	7.0
191.57721	0.6
198.06573	0.7
211.00082	1.4
259.51266	0.5
309.11789	1.1
345.08167	34.0
345.17261	1.0
346.04901	0.8
346.08517	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	345.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
59.01382	1.0
69.92966	1.1
71.01388	0.5
71.05021	9.4
74.41687	0.3
78.95919	0.3
83.01376	2.2
85.02953	0.3
90.66245	0.3
95.05031	2.8
97.02950	13.7
97.42905	0.3
98.03319	0.5
98.19920	0.3
101.02458	0.5
113.02469	0.4
118.73624	0.3
123.04523	0.6
128.13017	0.3
135.04506	0.3
137.02469	0.5
139.04012	100.0
139.69072	0.3
140.04358	4.6
141.01924	0.4
153.05505	0.5
163.04005	3.2
165.01921	0.4
166.05136	0.4
170.95593	0.3
181.05095	0.8
183.02979	2.8
207.02898	1.0
279.01276	0.3
309.02347	0.4
323.93546	0.3
327.03519	1.2
327.60974	0.3
345.04510	1.1
345.08231	10.2
346.08649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0828
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.07015	2.9
59.01381	36.4
59.88863	2.8
67.01886	3.0
69.03457	6.6
69.53924	14.4
71.01397	15.4
73.02923	3.3
80.47848	3.3
81.03435	4.3
83.01371	14.0
85.02924	6.3
87.00868	3.8
89.02467	7.2
92.58590	3.1
93.03445	8.6
95.01400	6.3
95.05000	5.8
97.02953	29.6
99.00870	10.9
99.04482	3.6
101.02425	5.8
109.02967	3.8
111.00859	13.0
111.04520	5.6
113.02423	5.0
118.98054	5.1
120.99631	4.8
121.02954	6.1
123.04518	14.5
124.01649	6.8
124.04040	9.8
125.02441	7.0
135.04553	3.2
135.06128	2.9
137.02400	10.0
137.06024	3.9
139.00363	26.9
139.04012	64.2
140.01187	20.3
140.04337	8.5
141.01955	27.5
141.04425	3.4
149.02408	3.1
151.03961	12.0
153.01906	12.6
153.05524	4.5
154.42085	3.0
165.01897	12.3
165.09212	4.6
167.03511	22.0
177.02155	4.4
179.03510	19.0
181.05069	21.7
182.02130	10.3
183.01396	5.5
183.02982	96.6
184.03305	4.1
191.03456	8.7
191.05598	6.6
195.03012	16.9
197.04533	9.6
199.07803	3.2
207.03044	18.5
207.04829	3.8
209.04631	5.5
213.04025	5.5
221.04533	10.0
225.04041	48.6
226.04340	3.5
227.94585	2.8
254.20018	3.0
259.10110	4.5
303.07190	4.5
327.06900	3.1
345.08224	100.0
345.15445	6.6
346.08636	10.2
346.13272	12.3
346.18756	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	345.0616
Annotation	Gossypetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
55.28413	1.8
61.98812	4.5
63.30015	1.9
65.00317	5.2
68.82324	1.7
68.99778	2.2
71.43925	2.8
72.12975	2.3
87.90215	1.7
90.91251	1.6
93.03468	3.9
95.01414	11.4
96.99312	5.1
98.00085	2.4
99.08102	1.7
103.33347	2.3
110.00093	6.1
111.00890	19.1
113.02471	13.6
123.00919	10.5
124.98782	2.2
136.98796	6.9
139.00374	61.2
140.00760	2.2
143.05008	2.2
148.98793	2.4
149.99591	6.6
151.00412	2.7
151.03967	3.3
158.03728	2.6
159.04500	1.8
164.98270	6.8
165.99078	16.5
166.99855	93.2
168.00130	2.5
169.02936	8.7
171.04526	3.8
171.10281	3.2
172.10580	5.6
173.02484	2.7
177.99069	8.9
181.01404	8.6
182.02312	2.2
187.03986	2.2
189.02014	2.1
193.01440	4.3
194.12679	2.8
194.99347	38.1
195.99715	3.0
199.04028	3.2
201.05402	2.5
209.00879	5.8
213.01927	16.8
215.03500	22.3
225.14964	3.9
226.02724	5.9
226.15303	4.4
229.04958	2.4
230.05803	9.8
241.01369	4.4
241.05096	4.5
242.02185	5.0
243.02888	13.9
254.02188	5.5
256.03784	9.8
257.04553	9.0
258.05206	8.7
259.02383	2.5
269.04501	5.6
271.02475	18.7
272.02811	2.1
274.04828	19.1
275.05341	2.2
284.03314	9.2
285.03763	3.4
286.04785	5.2
289.07263	2.3
298.01227	4.2
301.07193	2.4
302.04321	79.3
303.04614	6.4
312.02756	14.2
313.03522	42.5
314.03723	2.8
315.01230	3.4
317.06653	49.5
318.06992	4.8
327.04959	15.1
330.03763	28.6
331.04022	2.7
344.25168	33.5
345.06134	100.0
345.25388	10.6
346.06497	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0612
Annotation	5,7,3',4'-Tetrahydroxy-6,5'-dimethoxyflavone
Peak:m/z	Relative Intensity
52.37371	2.4
61.13434	2.4
61.37253	2.1
63.84490	2.6
65.00320	7.2
66.25571	2.3
69.88134	11.1
84.79586	2.3
93.03468	3.5
95.01378	10.2
96.99303	4.6
105.34528	2.3
110.00101	10.2
111.00879	25.4
113.02431	15.7
117.03442	3.8
123.00887	18.2
124.98756	3.2
136.98817	6.1
139.00375	66.6
146.96425	2.3
148.98787	2.9
149.99562	7.4
151.00345	3.0
158.03700	7.9
161.02480	5.9
164.98251	7.5
165.99043	15.8
166.99850	99.5
168.00151	6.1
169.02954	9.0
169.75137	2.7
171.04486	6.0
173.02464	2.4
173.06046	4.0
177.99062	12.1
178.47488	2.4
181.01434	6.5
185.06065	3.0
189.01906	4.1
190.02744	3.2
193.01370	3.1
194.99333	34.1
195.99736	2.6
199.04022	3.8
201.05540	3.1
203.03540	4.1
205.04990	2.9
209.00955	4.0
213.01909	13.8
215.03479	26.3
216.03874	3.9
226.02696	3.0
230.05861	11.3
242.02083	4.7
243.03049	12.4
244.03517	3.4
245.04579	6.5
254.02165	3.8
256.03748	7.8
257.04556	12.8
258.05310	7.8
269.04532	6.1
271.02487	22.7
273.04044	3.6
274.04776	20.1
284.03314	7.5
286.04712	7.4
289.07156	5.0
298.01215	4.0
302.04312	97.8
302.07751	5.4
303.04630	9.9
312.02753	11.3
313.03500	44.3
314.03888	6.3
317.03085	4.8
317.06641	69.0
318.07178	6.1
327.05072	14.8
330.03787	25.0
331.04263	3.1
345.01941	5.2
345.06128	100.0
346.06500	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	345.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15308	0.5
59.01386	0.7
65.00323	3.7
67.99061	0.5
69.37772	2.6
69.38180	0.9
79.62227	0.4
92.99797	0.5
93.03473	1.5
96.99317	1.4
98.77846	0.5
109.02859	0.4
110.00099	9.9
110.00858	0.6
111.00919	2.5
120.99338	1.2
121.02956	2.6
123.00863	0.7
127.00377	0.6
134.00078	0.5
136.98804	5.9
137.99606	3.8
139.00366	8.7
139.03996	5.9
143.04951	0.7
147.00890	0.6
149.02451	20.1
149.99591	3.4
150.02754	0.5
151.00269	0.9
159.04494	1.1
161.02495	0.7
164.98297	22.7
165.99078	14.3
166.99623	0.6
169.30446	0.5
171.04510	2.2
173.02505	0.8
175.00389	3.1
175.04039	1.0
177.99066	3.8
178.99886	2.4
187.04021	3.2
189.01903	1.1
192.97711	0.8
193.98593	2.5
197.02448	0.7
199.04015	4.7
201.01999	1.5
203.03577	1.1
204.04259	0.5
205.98601	2.6
213.01976	0.7
214.02658	0.7
215.03517	4.6
217.01486	1.1
219.03096	1.3
223.36000	0.5
225.01904	0.6
227.03474	0.8
229.01372	1.1
231.03015	2.7
232.03725	1.1
241.01367	1.0
242.02356	0.8
243.02966	9.8
245.00885	0.6
246.05135	0.6
259.02475	3.5
262.90149	0.6
270.01471	0.7
271.02411	3.3
285.03848	0.8
287.02005	6.7
288.02158	0.6
297.00369	0.8
315.01468	100.0
316.01758	9.4
330.03802	94.8
331.04169	10.5
345.06149	84.1
346.06461	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	345.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
60.41008	0.4
64.76067	0.3
65.00337	2.2
66.95893	0.4
70.87665	0.5
70.87990	0.8
87.00938	0.3
92.99837	0.6
93.03490	1.3
96.99314	0.8
110.00102	6.8
111.00909	1.3
114.14035	0.4
120.99371	0.9
121.02926	2.1
123.00820	0.4
124.98793	0.5
134.00191	0.4
136.98808	2.8
137.99556	2.0
139.00378	6.2
139.04041	4.9
143.05060	0.9
147.00896	0.7
148.01707	0.4
149.02440	13.8
149.99603	1.8
150.02814	1.0
153.01945	1.6
154.23486	0.4
156.78250	0.4
159.04428	2.0
161.02426	0.9
164.98288	13.6
165.99071	9.7
166.99663	1.0
171.04529	3.2
173.02464	0.6
175.00362	4.9
175.03981	0.9
176.00732	0.5
177.99123	3.4
178.99849	2.1
180.00618	1.4
181.01390	1.0
181.92143	0.4
184.53464	0.4
187.04045	3.2
189.01959	3.2
190.02338	0.4
191.03502	0.5
193.98488	1.2
197.02417	0.6
199.04018	2.9
201.01918	0.8
203.03514	1.3
205.98566	0.8
213.01923	0.6
214.02814	0.8
215.03476	6.9
215.05412	0.5
216.04021	0.4
217.01425	0.9
219.02992	0.8
225.01936	0.9
226.02702	0.8
227.03534	0.7
229.01372	0.7
231.02985	4.7
241.01387	1.2
242.02005	0.7
243.02972	8.1
244.03351	0.7
245.00909	2.3
258.01544	0.6
259.02481	4.8
259.75027	0.4
269.00922	0.9
271.02426	3.2
287.01978	27.1
288.02304	2.3
301.03677	0.5
315.01462	97.7
316.01813	9.5
317.06650	0.8
330.03799	100.0
331.04147	11.3
345.06146	44.7
346.02325	0.7
346.06451	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	345.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.6
61.20973	1.3
64.17148	1.2
65.00316	1.5
65.57056	1.2
71.01393	2.9
71.55946	2.0
75.00859	1.3
75.61627	1.1
81.85215	1.3
85.02927	3.0
93.03454	6.2
95.01398	3.7
96.99353	1.4
98.07043	1.2
108.02151	1.3
110.00108	8.0
111.00903	14.6
113.01340	1.6
121.02945	1.9
123.00861	5.9
123.04531	3.1
132.42314	1.3
136.98766	2.6
137.02466	2.1
137.99573	2.0
139.00383	26.5
139.11307	1.4
141.09167	2.4
149.02380	1.9
149.99576	1.3
151.03931	1.7
153.01955	4.1
156.86662	1.2
161.04510	1.4
164.98306	11.5
165.99084	13.6
166.99844	41.8
168.00189	1.3
171.04527	2.8
177.99065	2.2
181.01427	4.3
182.02155	2.7
183.10298	2.1
187.04024	2.6
194.99376	5.0
203.03423	2.0
215.03477	16.2
230.05855	7.5
242.02069	2.6
243.02953	6.0
244.32091	1.2
257.04547	5.9
258.05460	1.6
259.02441	2.3
267.02856	1.5
269.00885	5.3
271.02438	3.3
273.07617	1.8
274.04822	37.3
275.05270	2.1
285.04019	30.8
286.04520	4.0
289.07147	20.5
290.07535	2.2
301.07114	5.5
302.04388	22.0
303.04486	1.9
303.20691	1.7
315.01477	4.6
317.06650	100.0
318.06998	9.8
330.03696	4.6
345.02380	2.2
345.06073	15.5
345.22580	2.5
346.06479	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	345.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33922	1.8
59.01374	6.6
61.98826	2.9
65.00313	3.3
69.56067	12.5
71.01385	2.4
85.02956	2.9
93.03464	4.1
95.01424	5.0
110.00112	7.7
111.00884	16.9
113.02486	2.4
123.00893	4.8
123.04496	4.1
136.98813	4.2
137.02419	2.7
137.99603	2.9
139.00380	29.7
141.09271	2.0
144.99229	2.0
149.99570	3.2
153.01996	5.4
164.98300	17.5
165.99097	14.5
166.99844	43.6
168.00381	1.9
171.04475	2.2
181.01433	5.3
182.02129	3.3
183.10220	2.9
187.03845	2.4
187.32809	1.9
191.30573	1.9
194.99318	5.1
199.04041	2.4
201.11398	2.7
215.03465	13.3
230.05884	5.6
231.03123	2.1
242.02452	2.3
243.02953	7.3
257.04587	5.6
258.05435	2.8
259.02414	3.2
269.00986	3.8
271.02600	3.6
274.04849	34.6
275.05270	5.0
285.04031	24.3
286.04510	4.2
287.02042	3.5
289.07120	19.5
290.07532	2.1
301.07037	5.0
302.04337	23.3
302.20428	4.9
303.04535	2.8
303.21472	2.2
315.01459	7.9
317.06665	100.0
318.06970	12.8
330.03787	7.9
345.06039	16.3
345.22552	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	345.061
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87501	0.3
65.00322	2.7
69.40079	0.3
69.41225	2.5
71.73021	0.3
72.99311	0.7
75.00854	0.3
82.00640	0.4
82.06737	0.4
92.99848	0.5
93.03445	0.9
95.01331	0.3
96.99314	1.0
106.00603	0.9
109.02968	0.6
110.00091	7.7
111.00924	1.6
112.43658	0.3
120.99363	0.5
121.02969	2.0
123.00844	0.6
123.56448	0.3
124.98785	0.6
134.00111	0.8
136.98802	3.4
137.99574	2.6
139.00375	7.4
139.04005	5.3
140.00639	0.5
143.05022	0.7
145.02954	0.3
147.00847	0.7
148.01662	0.4
149.02426	16.1
149.99574	3.7
150.02817	0.9
151.00290	0.9
153.01909	1.0
159.03244	0.3
159.04460	1.6
161.02390	0.9
161.04507	0.4
164.98282	16.3
165.99068	10.1
166.99756	1.1
171.04520	2.5
172.04863	0.3
173.02412	1.0
175.00366	4.9
175.03961	1.0
177.99062	4.6
178.99858	1.9
180.00572	1.1
181.01237	0.4
183.10236	1.3
185.02405	0.6
187.03975	3.5
189.01917	2.6
189.11868	0.3
191.03490	0.5
192.97758	0.4
193.98544	1.2
197.02400	0.9
199.03976	3.4
201.01920	1.1
203.03561	1.8
205.98637	1.6
213.01906	1.1
214.02644	0.7
215.03496	5.7
215.07611	0.3
217.01443	0.7
219.02965	0.6
225.01938	0.9
227.03549	0.7
229.01395	1.0
230.02246	0.5
231.02974	5.2
232.03192	0.5
241.01427	1.2
242.02094	0.6
243.02971	7.8
244.03445	0.6
245.00912	1.6
247.02524	0.5
253.01450	0.4
254.81230	0.3
258.01709	0.8
259.02444	4.7
269.00900	1.0
270.01672	0.5
271.02386	3.2
286.01120	2.0
287.01953	23.2
288.02206	1.9
297.00192	0.6
301.03467	3.8
315.01440	96.2
316.01764	9.1
330.03775	100.0
331.04099	10.2
345.06128	48.7
345.15250	1.1
346.06470	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	345.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24119	0.5
59.01379	3.1
61.98825	0.8
65.00347	2.3
67.72839	0.5
71.01403	2.1
72.08666	0.5
72.99341	0.6
85.02946	3.0
87.00902	0.6
89.02432	0.8
91.38884	0.5
93.03480	0.8
96.99326	1.4
99.04534	0.7
99.80392	0.6
101.02441	1.2
106.00582	0.8
110.00081	7.0
111.00898	2.5
113.02468	1.1
120.99617	1.8
121.02985	1.6
123.04556	1.6
129.01979	0.8
134.03735	1.1
135.04495	0.8
136.98804	3.3
137.09717	0.7
137.99583	1.8
139.00380	5.5
139.04025	4.5
143.05008	0.8
145.02971	1.8
149.02449	12.9
149.99542	3.3
151.00351	1.2
153.01923	0.7
159.04489	1.3
160.01564	0.6
161.02451	2.0
161.04501	0.9
164.04892	0.8
164.98285	15.1
165.99057	11.2
166.99814	1.1
171.04526	3.0
173.02414	0.7
175.00381	3.5
175.03981	1.0
177.99080	2.9
178.99860	1.1
179.03603	0.8
179.07191	0.7
180.00603	1.5
183.10172	3.7
185.02518	0.9
185.11804	1.3
187.03906	3.5
189.01962	2.5
191.01993	0.7
193.98605	1.6
195.57831	0.6
199.04010	3.9
201.02014	0.9
203.03444	1.8
205.98505	1.6
215.03496	5.6
215.07372	1.8
225.01953	0.8
229.01466	1.2
231.02927	3.7
241.01445	1.3
242.02159	1.2
243.02969	6.1
245.00871	1.7
253.01360	0.7
258.01584	1.1
259.00174	0.6
259.02435	3.7
269.00952	0.9
271.02441	3.2
286.01151	1.7
287.01968	18.4
288.02310	1.3
301.03540	3.2
315.01456	86.6
316.01797	8.4
330.03790	100.0
331.04092	10.6
345.06155	46.7
345.09598	0.9
345.15259	2.8
345.22745	2.2
346.06454	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	344.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68928	0.9
55.36569	0.9
56.30772	0.9
58.00601	1.4
59.01378	21.4
61.98832	5.7
70.69569	2.6
71.01383	19.2
71.21822	0.9
72.00903	12.2
72.99310	1.4
83.01395	0.9
85.02954	3.2
87.00871	1.6
89.02441	22.8
95.01374	1.7
96.96004	1.7
101.02464	4.9
102.98590	1.1
103.05531	2.4
113.02462	5.3
119.03513	4.6
119.05025	1.5
120.05402	1.2
121.02895	1.3
125.02465	1.3
135.04489	0.9
138.05608	6.1
139.00414	1.1
139.04030	1.2
140.02324	2.2
140.04463	1.0
141.15912	0.9
143.03508	1.7
147.04523	39.6
148.04819	2.2
153.02013	1.3
157.59602	0.9
161.04640	2.0
164.07161	100.0
165.05481	1.3
165.07539	5.9
167.03487	2.0
168.00638	0.9
179.05595	6.4
181.05074	2.7
182.05418	4.8
183.03003	2.3
191.05476	1.1
300.10995	1.1
344.07101	3.8
344.10880	3.4
345.08618	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	344.1112
Annotation	Tecleaverdine
Peak:m/z	Relative Intensity
57.39758	6.0
59.01379	90.4
61.98829	54.9
63.99240	11.4
71.01375	24.6
71.05020	6.0
84.07056	6.2
85.02915	8.0
87.00869	9.2
89.02427	18.9
89.24248	6.4
95.01340	8.1
101.02432	15.6
113.02444	11.3
119.03469	9.9
120.05299	7.3
123.00909	10.2
123.04532	59.5
124.01722	8.2
133.01443	6.9
135.04562	9.8
135.05585	6.7
137.02425	14.3
138.05585	31.1
139.00369	7.5
139.03990	25.7
141.01978	8.4
146.08212	18.8
150.04230	9.4
161.04559	8.7
164.03473	18.8
164.07111	21.4
181.04942	8.2
183.03082	10.9
191.05524	11.3
261.74991	6.6
290.97015	8.4
300.10889	10.8
307.65994	6.9
308.13504	50.7
344.07242	8.1
344.11093	100.0
345.08395	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.19669	0.6
51.47036	0.5
58.17195	0.5
69.03465	0.8
69.70341	1.2
69.70737	2.7
73.96526	0.5
87.72021	0.5
99.08183	4.2
121.10230	7.7
123.30711	0.6
125.09689	1.4
125.87734	0.5
127.11279	1.6
137.09692	1.6
139.11264	1.5
160.25005	0.5
163.21140	0.6
171.10265	42.3
172.10637	3.0
175.11287	0.7
182.44688	0.6
193.12297	6.2
211.13536	0.9
225.14966	8.9
243.15982	2.8
252.41704	0.6
293.21149	2.7
343.24866	100.0
344.25220	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.249
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01376	1.4
59.76915	0.6
61.98809	0.9
71.44025	1.2
75.25217	0.7
99.08141	2.3
121.10227	5.8
125.09733	1.4
127.11292	2.2
137.09735	1.5
139.11308	1.4
163.07077	0.7
164.98347	4.4
171.10275	42.4
172.10605	2.2
180.00659	3.2
193.12282	5.8
208.00113	2.6
225.15010	7.0
226.15154	0.9
227.03476	0.7
241.01453	1.1
243.06589	4.9
243.16000	2.0
255.52657	0.7
270.01703	0.9
286.01251	2.7
293.21167	2.3
300.02530	1.2
301.03696	0.9
313.03430	1.0
328.05594	1.5
328.13101	1.3
329.02942	1.7
343.04614	1.3
343.16052	3.9
343.24881	100.0
344.05331	1.7
344.25180	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	343.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.0
59.01379	28.6
68.99783	0.5
69.03435	0.6
70.48239	1.0
70.48632	1.2
71.05019	3.8
85.02920	1.4
85.06588	3.7
97.06593	2.5
99.08140	1.5
111.08149	0.7
115.07650	12.9
116.07924	0.6
125.09688	1.5
129.09212	7.3
139.11258	2.3
157.12303	1.8
163.14923	0.7
209.48949	0.5
283.19150	20.8
284.19421	2.1
301.20190	100.0
302.20529	9.9
343.21231	24.5
343.25513	0.8
344.21518	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	343.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.0
61.98814	2.7
64.36904	1.2
65.00313	2.1
71.37600	1.3
71.54418	1.3
73.93882	1.1
91.07972	1.1
121.10242	10.7
125.09730	1.6
127.11275	1.2
134.89485	1.7
139.04016	1.5
139.11279	3.7
164.98286	11.6
171.10257	59.8
172.10565	3.8
176.83026	1.2
180.00638	8.9
186.03191	1.4
208.00220	5.9
211.13379	2.0
232.03693	1.2
242.02205	1.9
257.00754	1.5
270.01694	11.1
285.00800	1.8
285.04071	12.0
286.01282	1.7
286.04340	2.2
298.01013	1.8
299.05640	2.2
300.02795	3.6
313.03528	20.8
314.04251	1.4
327.05093	3.4
328.05841	16.5
329.02887	1.8
343.04489	1.8
343.08298	18.7
343.24881	100.0
344.25226	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	343.1548
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
59.01380	15.9
61.98823	1.5
63.87144	0.5
80.52531	0.5
93.03531	0.5
95.99212	0.4
108.02163	0.8
109.02915	0.7
117.03365	0.4
121.02934	1.1
121.74091	0.6
123.00867	0.9
124.01195	0.5
125.09734	0.7
130.04216	1.4
134.89482	2.8
136.01639	1.3
137.02330	0.9
145.02950	10.4
146.03703	1.6
151.04005	1.0
152.04344	0.7
153.01941	0.4
162.03241	0.5
163.03908	1.4
163.12994	0.5
164.04379	1.1
164.98276	1.8
169.06584	0.5
173.02426	5.8
174.03209	27.4
175.03725	2.1
178.02708	1.6
178.05859	0.6
180.00635	1.8
187.04018	1.4
193.34859	0.5
206.02197	19.4
207.02489	0.9
208.00111	1.5
213.05527	3.5
214.06180	0.8
214.87520	0.5
215.03442	3.2
227.07083	0.9
229.28639	0.6
269.11844	1.9
270.01721	1.2
283.17050	2.7
301.18124	1.5
309.61560	0.5
311.12866	6.3
312.13089	1.1
313.03455	1.4
328.05734	1.4
343.11917	3.6
343.15469	100.0
344.11624	1.0
344.15802	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	343.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53721	1.0
53.97664	0.9
55.70003	1.0
57.03444	6.5
59.01386	11.7
69.03456	16.5
71.01388	6.4
71.05018	4.1
71.54845	1.6
77.93150	1.0
83.60661	1.0
85.02957	4.6
87.00880	100.0
87.04503	2.0
88.01216	1.4
89.02473	1.0
97.02957	3.3
101.02526	1.1
101.04326	1.1
109.02899	1.2
111.08167	2.8
113.06093	3.0
115.04015	4.8
120.99689	7.1
121.02934	1.1
123.08061	1.7
134.16234	1.0
137.02467	1.0
139.11305	16.0
141.01926	5.9
159.03004	14.4
181.05167	1.2
182.04581	2.7
183.10269	90.3
184.10620	4.6
226.09377	1.1
257.04596	2.6
260.48221	0.9
301.13098	2.2
343.04300	1.6
343.14050	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	343.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53261	1.1
57.03442	2.8
59.01379	12.0
69.50842	5.9
71.01377	1.3
79.30968	1.2
83.05032	1.6
85.02985	2.7
87.20358	1.1
95.71497	1.5
98.19876	1.2
107.04987	1.2
109.02952	4.7
109.06599	3.6
111.70779	1.3
119.05020	4.0
121.02936	8.8
124.01678	1.5
135.04521	8.8
136.04871	1.5
137.05130	1.4
137.06076	28.0
137.07051	2.4
139.04025	3.9
152.29309	1.1
163.11366	1.5
169.12360	2.2
178.04356	1.0
179.03499	3.4
180.03925	1.4
181.05075	100.0
182.05394	5.2
195.13898	32.8
196.14209	2.1
255.16005	1.4
286.76932	1.3
290.22668	1.2
300.15656	1.9
313.66119	1.2
326.68094	1.4
343.10294	15.0
344.10611	1.4
357.55762	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	8.0
59.01377	13.6
69.03460	17.6
70.29160	3.7
71.01386	5.9
71.05013	3.6
73.01183	1.8
73.02942	1.5
83.01379	1.1
85.02953	4.2
87.00880	84.9
87.04513	2.4
88.01225	1.5
89.02429	1.1
97.02963	4.1
101.02448	1.1
111.08165	2.6
113.06109	1.7
115.03997	8.1
120.99666	12.9
121.02986	1.5
123.08120	1.3
123.81659	1.2
133.48708	0.9
137.32137	1.1
139.04015	1.5
139.11299	20.8
141.01987	5.5
143.03508	1.8
159.02979	12.9
171.59233	1.1
181.05157	1.6
182.04561	3.9
183.10272	100.0
184.10629	7.2
187.41620	0.9
193.80827	1.0
213.05743	1.3
218.95871	1.1
257.04578	5.0
261.14667	1.1
301.12836	1.9
326.58780	1.0
329.02368	1.0
343.04373	1.2
343.14001	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53261	1.1
57.03442	2.8
59.01379	12.0
69.50842	5.9
71.01377	1.3
79.30968	1.2
83.05032	1.6
85.02985	2.7
87.20358	1.1
95.71497	1.5
98.19876	1.2
107.04987	1.2
109.02952	4.7
109.06599	3.6
111.70779	1.3
119.05020	4.0
121.02936	8.8
124.01678	1.5
135.04521	8.8
136.04871	1.5
137.05130	1.4
137.06076	28.0
137.07051	2.4
139.04025	3.9
152.29309	1.1
163.11366	1.5
169.12360	2.2
178.04356	1.0
179.03499	3.4
180.03925	1.4
181.05075	100.0
182.05394	5.2
195.13898	32.8
196.14209	2.1
255.16005	1.4
286.76932	1.3
290.22668	1.2
300.15656	1.9
313.66119	1.2
326.68094	1.4
343.10294	15.0
344.10611	1.4
357.55762	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1034
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01381	2.8
65.00340	0.6
71.01397	0.3
80.36986	0.1
83.01363	0.2
89.00346	0.2
89.02451	0.1
90.25187	0.2
90.93498	0.1
90.94080	0.1
95.01359	0.7
97.02942	0.2
98.19838	0.3
101.02467	0.2
105.03450	1.8
107.01399	0.3
121.02990	0.3
122.03743	0.5
123.00904	0.3
124.01649	1.1
137.02449	0.4
137.06084	1.4
138.03230	5.5
139.04039	3.0
149.02492	0.2
151.00380	0.9
163.04066	0.3
165.01891	1.7
165.05598	0.5
166.02711	41.1
167.03047	2.0
179.03497	0.5
180.04143	0.2
181.05063	100.0
182.05396	5.6
182.07034	0.3
183.10196	0.1
198.01616	0.2
205.87674	0.2
223.06116	0.4
262.77466	0.1
297.92557	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61288	0.4
52.08804	0.4
52.45620	0.4
59.01381	3.5
63.02411	1.1
67.55049	0.4
69.59866	1.0
69.60278	1.7
71.01394	0.8
85.02959	0.6
96.02198	0.7
97.02957	0.9
101.02441	0.6
109.02941	0.7
109.06561	0.6
111.00912	0.7
113.02499	0.5
116.57410	0.5
119.05067	0.6
121.02911	0.8
124.01671	52.5
125.01994	1.9
135.04518	1.4
137.06067	5.2
138.06364	0.5
139.04018	100.0
140.04356	3.6
166.02719	0.6
181.05069	16.5
181.08791	0.6
182.05350	0.9
195.13905	1.0
202.38860	0.5
206.06648	0.4
209.60426	0.4
227.20459	0.4
343.10446	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	343.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03334	0.3
59.01387	0.6
59.80685	0.3
63.02402	1.2
70.79507	0.5
89.44294	0.3
95.05049	0.4
96.02184	0.8
99.77117	0.3
124.01669	51.4
125.02035	1.7
139.04019	100.0
140.04349	3.7
152.66301	0.3
181.05186	0.3
272.52536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1033
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
53.42623	0.3
54.80508	0.4
57.22710	0.4
59.01378	13.3
60.01720	0.4
60.56231	0.4
70.42162	1.2
70.42544	0.7
71.01371	0.5
73.01150	0.6
79.23920	0.4
81.03487	0.5
93.03446	0.6
95.05046	0.9
96.78992	0.4
102.98589	0.8
107.05053	0.5
109.02944	6.5
109.06590	3.7
116.11610	0.4
119.05010	4.2
121.02971	6.9
122.03713	0.6
124.01614	0.5
135.04530	5.3
136.05243	1.3
137.06081	28.8
138.06409	1.6
139.04030	1.1
140.22223	0.4
144.65840	0.4
150.06831	0.8
151.07635	1.1
162.06833	0.8
163.07651	1.1
166.02744	0.4
168.33058	0.4
179.03514	0.9
180.07918	1.6
181.05061	100.0
182.05382	4.9
182.09044	0.5
189.15088	0.4
195.13823	0.9
242.15166	0.4
342.98181	0.4
343.10294	7.2
343.14117	0.6
367.66406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0821
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
52.06622	1.1
55.47594	1.1
59.01372	5.3
61.98825	3.3
65.00327	13.4
70.39075	2.4
70.39437	2.4
75.34747	1.4
92.99828	2.5
93.03468	2.1
96.99313	3.6
98.20621	1.6
106.31659	1.1
110.00094	1.4
117.03506	1.3
120.99312	2.8
121.02954	3.4
123.00931	1.4
132.02206	4.5
133.02957	1.9
134.00063	1.1
134.89468	2.1
135.00909	1.5
135.04544	2.7
136.98801	13.9
139.04018	4.9
141.03465	1.3
147.00816	1.5
147.04521	3.2
148.01691	1.3
149.02420	9.2
149.99596	2.3
151.00227	1.3
153.01915	2.9
158.03741	2.8
161.02412	2.7
161.06096	11.0
163.00363	5.3
164.98293	84.8
165.98788	3.8
169.02971	2.9
170.03752	5.9
170.39314	1.1
172.01672	9.4
174.03281	1.6
175.00407	6.9
177.99060	1.5
179.06871	1.2
180.00647	50.7
181.01030	2.9
185.02481	2.3
186.03284	3.4
189.02016	1.4
192.97839	1.7
197.02425	2.9
198.03241	7.1
201.01932	3.0
202.02739	16.9
208.00124	41.2
209.00473	2.4
209.08124	1.3
213.01915	6.5
214.02650	11.4
226.02805	2.9
229.01364	2.6
230.02191	10.7
241.01431	4.6
242.02220	15.0
254.02209	1.7
255.03056	2.5
256.03738	3.1
257.00940	6.2
257.04202	1.6
258.01663	24.9
269.00937	8.9
270.01654	33.5
271.02176	3.0
282.01776	2.3
283.02505	2.6
284.03207	8.4
285.00482	5.0
285.04056	14.7
286.01205	38.8
286.04123	1.3
297.00424	3.5
298.01178	48.1
299.01529	4.2
299.05463	2.6
301.03574	12.4
312.02768	4.4
313.00256	3.3
313.03519	90.3
314.00723	36.5
314.03967	8.6
315.05161	4.5
327.05081	4.4
328.02740	1.3
328.05869	76.1
329.02982	85.3
329.06241	7.1
343.04752	4.6
343.08231	100.0
343.15421	6.0
343.24411	2.8
344.05249	68.9
344.08743	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	343.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46700	0.8
57.03442	2.5
59.01389	6.7
61.98829	2.2
63.02375	0.8
64.78155	0.7
69.03439	1.1
71.01380	3.7
71.22297	1.4
71.22649	0.8
72.99303	9.9
73.02947	0.8
73.23342	0.7
75.00871	3.1
81.03458	14.8
83.01405	0.8
85.02956	12.6
87.00890	1.3
93.03452	4.1
95.05024	0.9
97.02956	1.7
99.00890	10.7
101.02447	2.2
102.80392	0.8
109.02936	1.4
109.70198	0.8
111.00868	1.1
113.02435	4.7
115.04005	0.7
117.01976	1.4
119.04990	1.2
121.02938	1.1
123.00901	2.9
124.01666	47.8
125.02467	38.3
126.02810	1.0
129.01944	3.5
131.03488	2.8
135.04533	1.8
137.02438	3.5
137.06076	1.5
138.03206	2.6
139.04021	100.0
140.04349	3.8
143.03514	7.3
147.03029	2.4
151.03975	2.2
153.01888	2.1
161.04549	3.1
163.04018	2.8
167.03493	1.2
179.03397	1.0
181.01465	1.9
181.05103	6.9
191.01988	2.7
195.02881	1.2
195.13826	3.8
205.03543	41.0
206.03870	2.0
209.03023	2.6
223.02507	1.6
223.04578	16.1
223.92476	0.8
313.09235	2.1
343.06708	7.0
343.10419	2.6
344.18063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0822
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
59.01375	10.6
59.65331	2.1
61.98851	2.8
65.00340	2.9
71.01389	2.3
83.05034	3.2
85.01174	2.2
107.01413	3.3
118.62495	2.4
121.02931	2.8
149.02408	3.1
154.04303	3.1
162.30630	2.5
164.98250	11.7
169.94528	2.3
180.00653	7.1
186.03030	2.9
198.03233	5.6
208.00098	5.9
226.02733	6.5
227.05566	3.1
242.02138	17.3
270.01694	100.0
271.02060	8.7
285.04068	32.7
286.04413	3.0
298.01172	14.5
313.03519	93.3
314.03931	6.9
315.03491	3.1
328.05859	99.3
329.06100	8.4
343.03998	5.4
343.08121	53.5
344.08340	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	343.046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83510	0.6
51.99220	0.6
59.01379	1.8
59.48123	0.7
60.48086	0.6
61.98825	1.6
65.00324	10.6
66.60128	0.6
69.87078	2.1
69.87488	0.9
76.05319	0.6
83.05022	1.0
92.99817	4.2
96.99303	3.5
98.20718	1.2
106.50954	0.7
116.92842	1.0
120.99316	2.7
122.77908	0.7
130.80789	0.6
134.89461	2.5
136.98811	13.2
136.99809	0.4
164.98299	100.0
165.98616	4.0
169.02985	2.4
180.00647	69.6
181.00974	3.2
192.97795	2.0
197.02481	1.9
208.00133	52.1
209.00508	2.6
213.01921	3.0
226.02562	0.9
241.01396	4.2
242.02185	0.8
256.03781	1.7
269.00961	4.3
270.01675	2.4
271.22842	2.5
284.03256	3.7
285.04089	1.4
299.05600	0.7
313.03461	4.8
315.05078	5.5
328.05899	4.0
343.04575	4.5
343.08307	3.0
343.21594	0.8
369.12555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26739	0.9
59.01388	2.6
61.98842	1.3
65.00325	12.3
70.07726	1.7
70.08116	2.6
82.62471	0.9
83.04993	1.3
91.03458	1.0
91.90138	1.0
92.73075	0.9
92.99825	3.2
96.99300	2.6
109.24480	0.9
120.99265	2.1
134.89468	3.7
136.98801	11.9
139.58664	1.0
164.66528	1.0
164.98288	100.0
165.98674	4.7
169.02960	2.4
180.00641	70.5
181.00963	3.1
192.97797	1.6
197.02347	1.3
203.67229	1.1
208.00122	52.1
209.00485	2.2
213.01909	2.9
215.12906	4.9
241.01376	2.7
256.03751	1.4
257.01022	1.6
269.00848	4.4
270.01544	1.2
284.03287	5.0
299.05539	1.1
313.03317	1.3
315.05142	6.6
328.06018	1.1
343.04562	4.7
343.25031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
60.66519	0.4
65.00324	9.9
69.28652	3.2
70.70180	0.5
74.81153	0.4
75.00940	0.5
85.02981	0.7
92.99811	2.5
96.99309	3.1
98.19871	0.8
108.99317	0.6
111.00874	0.8
120.99300	2.4
123.77180	0.4
128.92871	0.4
136.01711	0.9
136.98817	12.2
137.02477	0.5
137.09746	0.7
141.03487	0.8
151.04033	1.3
155.10809	1.0
164.98294	100.0
165.98631	3.7
169.02954	2.2
180.00647	62.7
181.00964	3.5
182.04579	8.9
185.02316	0.4
192.97803	2.3
197.02399	1.2
208.00131	52.8
209.00502	2.7
213.02011	3.4
241.01407	3.6
256.03790	1.6
269.00949	4.6
284.03302	4.0
285.00403	0.5
299.05701	1.3
315.05130	6.1
343.04449	4.3
343.11783	1.3
343.17514	1.1
343.21228	1.7
344.09839	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	343.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37006	0.3
59.01381	82.7
60.01722	0.9
62.44262	0.3
68.66330	0.3
69.88069	1.6
79.12994	0.3
84.54465	0.3
84.81304	0.3
94.90176	0.3
99.40654	0.4
113.04648	0.5
157.03563	8.6
158.03761	0.7
159.01489	1.5
201.02553	100.0
202.02724	10.0
281.10608	0.3
281.14307	0.4
343.03738	2.3
344.03842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62826	1.0
59.01369	4.4
61.98823	4.8
63.12468	1.4
65.00314	11.9
66.43356	1.1
66.58030	1.2
69.76762	5.0
92.99838	2.4
96.99300	2.9
107.31342	1.1
117.03417	1.5
118.41918	1.1
118.62872	1.1
118.97836	1.2
120.99319	1.9
123.98777	1.2
127.03492	1.2
136.98817	11.9
139.04057	1.2
147.04535	1.4
149.02478	1.6
161.06096	1.9
164.98289	100.0
165.98613	4.5
169.02928	2.0
172.01636	1.8
180.00645	61.4
181.00928	3.4
192.97734	1.2
197.02429	1.9
202.02689	3.5
202.90860	1.2
203.70105	1.3
208.00121	54.6
209.00468	2.2
209.06387	1.2
213.01854	4.8
214.02673	1.2
226.02623	1.4
229.01370	1.3
230.02295	1.2
241.01389	4.5
242.02106	3.4
256.03680	1.9
257.00787	2.0
258.01749	2.2
269.00824	4.0
270.01755	6.8
284.03183	3.8
285.00433	1.4
285.03918	3.7
286.01242	5.8
298.01044	8.2
299.05972	1.4
300.02692	2.1
301.03418	1.9
306.73135	1.2
313.03500	14.3
314.00601	5.3
314.03809	1.8
315.05148	8.6
328.05896	15.9
329.02957	12.6
329.06274	1.7
342.23868	1.4
343.04504	3.3
343.08173	20.1
343.12125	2.1
343.15292	1.8
344.05154	9.9
344.08322	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69680	0.5
59.01381	100.0
60.01718	1.4
61.98827	0.8
70.54970	1.2
70.55312	0.5
128.21451	0.6
134.89481	0.8
136.01613	0.5
178.07094	0.5
242.02333	0.7
270.01715	3.0
270.04230	0.5
282.24365	3.1
285.04086	1.5
298.01419	1.1
313.03525	4.8
328.05936	3.7
342.11316	1.2
342.75137	0.6
343.08371	1.6
343.28857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
65.03967	0.3
67.01882	1.5
68.99812	2.4
69.03458	0.5
71.01382	1.7
71.08739	0.3
79.01879	0.2
79.95795	0.2
81.03448	0.7
83.01377	0.6
84.02140	0.3
84.97311	0.2
91.05544	1.0
93.03454	12.9
94.03777	0.4
95.01376	2.0
95.04991	0.4
97.02936	0.3
105.03457	0.9
107.01392	0.6
107.05020	2.1
108.02173	3.8
109.02948	14.6
110.03275	0.5
111.00887	2.5
112.74358	0.2
112.98776	0.4
117.03452	3.0
119.04999	0.9
121.02953	51.8
122.03773	10.1
123.00880	14.5
123.04546	3.2
124.01668	13.1
124.02357	0.2
124.02611	0.2
125.02522	1.1
130.04184	0.2
131.05064	0.4
133.02954	3.0
134.03745	2.7
135.04520	8.2
136.01654	54.1
137.02444	45.9
138.03255	9.1
139.00360	0.7
139.03592	0.4
143.05002	0.3
145.02954	0.7
146.03709	0.6
147.04503	3.9
148.05013	0.2
149.02446	2.6
149.06094	0.4
150.03238	1.4
151.03998	45.5
152.01146	2.4
152.04338	1.9
153.01944	4.2
154.02719	2.9
158.03827	0.3
159.04565	0.9
160.01619	0.3
160.05273	0.9
161.02441	6.5
161.06071	2.3
162.03220	22.4
163.03998	46.1
164.04468	3.1
165.01930	0.9
165.05530	0.3
166.02638	0.4
167.03519	0.2
171.04605	0.2
173.06088	0.2
174.03206	0.6
175.03984	10.8
176.04729	1.9
177.05554	19.3
178.02785	0.3
178.05948	1.0
179.03490	18.5
180.04007	1.5
187.03961	0.9
188.04691	0.8
189.05568	1.7
190.06339	1.6
191.03511	0.2
191.07103	0.5
192.04265	0.2
193.05038	6.6
194.05487	0.4
195.02885	0.2
203.07092	0.8
205.05005	0.5
208.03949	0.2
213.05547	0.8
219.06541	0.5
239.07225	0.2
241.05005	1.5
249.05545	0.2
256.07428	1.8
267.06577	0.8
268.07330	0.3
281.08261	0.3
282.08868	0.4
297.07654	0.9
311.09265	0.5
312.10077	0.4
313.10532	0.4
324.10004	1.4
325.10321	0.2
327.08694	2.9
328.09027	0.2
341.10312	0.7
342.11044	100.0
343.11417	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	342.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
59.01361	0.3
65.03972	0.2
67.01890	3.5
67.92572	0.2
68.99815	3.2
69.03462	0.5
69.79260	1.0
71.01388	2.4
77.03954	0.3
79.01881	0.4
81.03452	1.0
83.01390	0.9
84.02179	0.3
89.03937	0.3
91.05542	0.9
93.03460	10.3
94.03835	0.2
95.01384	3.9
95.05013	0.2
97.02940	0.2
105.03463	1.2
107.01383	3.2
107.05024	2.1
108.02170	6.2
108.88600	0.2
109.02950	20.2
110.00105	0.3
110.03284	0.8
111.00875	5.3
112.01257	0.3
112.98808	0.4
117.03452	2.8
119.05009	1.1
121.02953	42.8
122.03773	12.1
123.00885	28.2
123.04536	6.1
124.01673	13.7
125.02518	1.8
131.04994	0.3
133.02951	3.7
134.03767	3.5
135.04527	10.0
136.01659	49.8
136.05278	1.3
137.02446	61.9
138.03249	17.1
139.00368	1.0
139.03615	0.8
145.02956	1.1
146.03717	1.4
147.04521	4.9
149.02432	3.4
149.06058	1.1
150.03227	2.2
151.00362	0.9
151.04002	41.0
152.01157	2.8
152.04327	1.9
153.01938	5.1
154.02713	2.5
158.03723	0.4
159.04521	1.6
160.01654	0.3
160.05287	1.7
161.01117	0.5
161.02441	8.4
161.03772	0.5
161.06070	5.1
162.03217	29.9
162.06851	1.2
163.04001	74.2
164.04526	5.5
165.01945	0.9
165.05496	0.6
166.02632	0.3
167.03432	0.4
168.04272	0.6
171.04486	0.3
173.06020	0.4
174.03239	0.8
175.03993	13.3
176.04720	2.4
177.05559	29.0
178.02660	0.7
178.05870	1.6
179.03488	20.4
179.07063	0.8
180.04131	2.1
187.03992	1.2
188.04791	1.1
189.05585	2.9
190.06299	1.9
191.03502	0.4
191.07167	1.1
192.04172	0.3
193.05046	9.5
193.06815	0.5
194.05630	0.8
196.03868	0.3
203.07173	1.0
204.04247	0.3
205.05013	0.7
206.05843	0.2
213.05554	0.7
217.05109	0.3
219.06593	1.0
239.07204	0.2
241.05086	1.5
242.05627	0.3
250.06285	0.3
253.08864	0.3
256.07397	1.9
266.05853	0.3
267.06555	1.0
279.06610	0.3
280.07294	0.2
281.08173	0.5
282.08902	0.5
297.07727	1.4
298.07968	0.2
298.75394	0.2
299.09335	0.2
311.09195	1.2
312.09937	2.3
313.10721	0.5
324.10062	1.9
327.08777	3.7
328.09009	0.3
341.10382	1.0
342.11041	100.0
343.11429	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	342.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.1
69.03446	3.0
69.63046	16.8
71.01376	15.5
71.05011	6.6
73.01176	6.0
73.02944	2.6
75.38240	2.1
81.03469	6.7
84.04588	3.5
85.02959	10.5
86.03231	3.2
87.00871	4.2
87.02742	9.9
93.03467	7.2
93.07096	7.0
94.06622	3.2
95.05048	4.1
96.04553	6.4
97.02989	4.2
98.20572	2.8
101.04311	8.4
107.03739	2.4
107.05080	4.1
108.04561	9.0
108.08204	5.0
109.02954	5.5
109.06548	3.4
110.76736	2.9
111.02740	5.3
111.04498	4.3
119.05068	3.7
120.08193	12.8
121.02947	4.8
121.06609	3.5
122.06104	3.3
123.08163	9.1
124.04056	3.6
130.08765	3.2
133.10237	10.9
135.04518	21.2
136.04875	8.3
136.07678	47.4
137.02379	2.6
150.05597	8.5
150.09247	9.5
151.11301	21.7
152.43068	2.4
153.03751	3.1
159.03036	15.4
160.11313	4.3
161.02510	2.7
162.09250	42.9
173.04520	3.4
176.04041	44.7
176.10730	4.2
176.54201	37.6
177.04292	6.2
177.09172	9.6
178.12326	10.5
179.03485	23.0
180.03835	8.6
181.04829	2.8
183.10292	9.4
185.11835	7.8
186.12146	4.1
191.05612	3.6
192.10271	28.8
193.10651	5.2
194.11855	8.2
196.06152	3.4
196.07985	8.5
197.05133	3.5
202.12389	11.0
208.07979	10.4
220.13400	56.1
221.13802	3.8
226.09047	21.2
236.11230	7.9
245.90753	2.9
246.11272	5.6
254.12189	70.4
254.14896	3.8
255.12442	6.4
262.09125	4.5
264.12479	26.8
280.10104	11.5
298.11188	85.3
299.11526	6.8
327.29391	3.4
342.10184	100.0
343.10657	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	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23529	0.6
55.07050	0.6
62.17692	0.6
68.64987	0.7
71.22572	1.1
71.22919	0.8
82.48524	0.6
84.01659	1.1
84.02165	20.8
97.02954	6.8
97.06589	1.4
99.04507	3.9
119.08652	2.7
125.09808	0.6
127.11266	1.6
135.08167	1.8
137.09679	0.8
151.11241	0.8
171.10266	59.7
172.10556	3.1
193.12305	1.3
225.14906	1.1
243.15959	0.7
253.14525	0.8
260.35901	0.6
272.87964	0.6
291.19656	1.2
341.23300	100.0
342.23645	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	342.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16489	3.0
54.80696	2.9
59.01371	25.4
63.80329	2.9
68.16254	3.0
71.01379	16.9
71.66088	3.0
72.39027	3.4
74.89378	2.8
82.02969	3.1
85.02945	5.8
87.00849	4.7
87.02737	6.5
93.03458	3.7
96.04558	11.7
97.02982	3.6
101.04308	8.8
108.04531	4.8
111.02731	8.5
115.04031	4.7
120.08208	5.3
122.06100	5.1
123.04545	5.0
123.08150	8.2
124.04065	5.3
124.04908	3.2
124.07680	3.9
128.30670	3.3
133.10158	4.9
135.08141	7.7
135.84680	3.2
136.07649	17.4
140.07217	3.8
149.09666	6.0
150.05621	7.6
151.11287	5.5
160.11333	4.1
162.09241	19.4
176.10767	5.7
177.09178	9.3
180.07526	3.6
185.59290	3.5
189.01920	5.2
190.02336	7.8
192.10291	33.6
193.10608	7.3
194.08200	5.7
197.05280	3.9
202.12425	9.8
208.07993	21.2
218.01945	3.5
220.13397	22.1
226.09058	34.3
236.11153	10.3
244.15714	3.0
254.12138	27.7
262.09045	7.2
264.12357	27.8
280.10037	20.6
298.07666	5.2
298.11157	100.0
299.11615	6.6
342.06796	13.6
342.10196	63.1
343.04022	3.9
343.10458	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.01387	2.8
62.74320	0.3
69.03445	2.3
71.01369	1.8
71.02154	0.6
71.02501	0.4
74.05104	0.4
80.02692	0.5
83.05009	1.3
84.01711	0.7
84.02165	5.8
84.46723	0.3
85.02950	0.6
89.02454	1.9
95.05003	0.7
97.02950	2.7
97.06587	9.8
99.04508	1.5
101.02412	0.7
113.02488	0.6
119.03467	0.9
119.08664	0.7
125.09709	1.5
127.11301	0.6
135.08151	0.8
137.09706	1.6
151.11272	0.5
153.09145	0.5
165.12793	0.8
171.10263	20.9
172.10643	1.0
175.11244	0.6
177.12941	0.4
179.05687	0.6
183.13828	0.5
185.11835	0.4
193.12321	13.1
194.12654	0.9
211.13422	2.2
221.11852	0.7
225.14949	17.6
226.15285	1.3
243.15958	7.3
253.14368	1.1
291.19583	1.9
292.19925	0.5
299.18686	0.4
341.06699	0.9
341.10526	1.5
341.23288	100.0
342.23624	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	341.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23589	0.5
59.01374	1.4
61.98832	100.0
69.77567	2.6
126.96330	0.6
159.22037	0.5
171.10321	1.6
219.68083	0.6
341.10208	0.9
341.23331	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	341.1967
Annotation	Methyl botryoloate
Peak:m/z	Relative Intensity
57.03446	8.8
58.00574	0.9
58.26588	0.6
59.01378	41.0
65.00384	0.6
66.93825	0.6
68.29685	0.5
69.03449	0.6
69.22330	6.1
71.01379	8.4
71.05019	22.2
71.44097	0.6
72.99294	1.0
73.02982	0.8
78.13345	0.6
81.03460	2.0
83.01397	0.6
83.05032	2.9
84.02161	0.8
85.02951	2.9
85.06590	1.3
87.00887	0.7
89.02442	9.0
91.78429	0.6
93.03430	1.1
95.05016	2.3
97.03031	0.6
97.06577	1.5
99.04500	1.1
99.08152	1.2
101.02444	3.0
109.02969	0.6
109.06593	1.4
111.04546	0.9
112.22922	0.7
113.02443	3.4
119.03506	3.8
121.02933	3.5
122.03285	1.0
123.08151	1.0
125.02442	1.0
125.09721	4.5
127.07653	0.9
137.06064	0.7
143.03519	0.9
143.10777	20.0
153.09274	0.7
155.10768	0.8
161.04559	0.8
165.01970	0.8
171.10266	4.9
177.12801	2.3
179.05614	4.4
181.12337	0.7
185.11804	1.8
193.01413	1.9
201.11340	1.4
209.11784	5.9
211.96120	0.6
223.13286	0.9
227.12857	1.5
237.18536	2.1
247.13252	0.6
253.14452	3.5
281.04578	0.9
281.17560	18.5
282.17899	1.9
283.05939	0.9
287.16467	1.5
295.06104	0.8
299.18622	100.0
300.18958	10.3
305.17639	1.7
323.05643	1.1
323.18610	1.2
341.06314	3.6
341.10507	7.6
341.19653	21.1
341.23727	1.4
342.10791	0.7
342.19983	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82697	1.2
57.03451	7.8
59.01382	14.9
61.98815	3.5
62.07163	1.3
68.99841	1.2
69.03458	12.8
69.44670	8.8
71.01391	10.0
71.05015	3.8
75.00843	1.1
77.71346	1.1
85.02979	5.7
85.06601	1.9
89.02448	11.6
95.01413	1.6
95.05041	1.3
96.96003	2.2
97.02948	2.6
101.02428	3.5
111.00911	1.7
111.08167	2.4
113.02435	4.5
113.06109	17.0
118.04845	1.0
119.03497	4.8
119.29807	1.2
121.02972	1.5
121.25877	1.2
123.00950	2.8
123.04533	2.9
128.03529	1.8
129.01958	2.8
131.03468	2.8
135.04501	1.8
139.11308	17.7
157.05061	7.5
161.02417	1.3
165.93553	1.1
168.02936	1.5
170.49512	1.2
179.03448	3.2
179.05550	4.6
183.10268	100.0
184.10631	6.5
194.53398	1.3
246.08313	2.3
267.06735	1.4
270.83130	1.1
299.15207	1.2
299.18619	3.6
326.07739	1.7
341.10736	7.8
342.11252	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	341.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
57.03439	4.1
58.00600	2.4
59.01379	100.0
69.87590	3.6
71.01380	60.9
72.99302	2.3
73.02950	16.2
83.01383	5.6
85.02953	21.7
87.00880	3.2
88.68186	1.0
89.02442	34.2
90.02768	1.0
90.46121	1.1
93.03471	1.1
95.01374	5.9
98.20679	1.2
99.00864	2.3
101.02444	27.2
113.02448	35.2
119.03545	12.3
119.05027	30.2
120.05401	1.0
129.01961	1.8
131.03506	2.6
134.03705	5.8
135.04530	39.7
136.04744	1.2
137.02448	8.8
137.06075	3.2
143.03499	3.8
161.02441	1.4
161.04596	7.1
177.09238	1.1
179.03476	42.5
179.05582	10.0
179.07025	1.7
180.03935	2.2
193.05038	4.2
193.12244	2.0
220.82666	1.0
223.04587	2.4
239.42203	1.0
281.10275	29.3
282.10654	3.5
299.11301	3.0
341.10760	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	341.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.4
57.03445	11.3
58.00612	1.3
59.01380	100.0
68.08128	1.4
69.61174	6.3
71.01386	44.9
72.99327	3.6
73.02950	31.4
75.00861	2.1
83.01380	11.6
84.02154	1.3
85.02952	41.7
87.00916	2.8
89.02449	24.2
95.01405	2.7
97.19467	1.1
99.00892	1.8
101.02446	34.8
106.59161	1.3
111.00883	13.9
113.02444	22.6
119.03545	12.2
119.05034	34.3
120.05381	2.5
125.02448	1.5
129.01105	1.7
129.01971	13.8
130.02260	1.2
131.03479	3.0
134.03748	2.5
135.04527	32.8
135.08218	1.5
136.04875	1.5
137.02443	16.0
137.06068	2.9
143.03473	2.2
147.03023	2.6
155.03540	1.5
161.04568	7.3
177.09326	1.6
179.03506	34.6
179.05629	5.0
180.03784	1.8
185.93272	1.4
193.12242	4.4
205.03510	15.0
211.13367	2.0
223.04575	32.9
281.10342	13.2
299.11240	4.4
341.08878	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.9
56.03633	1.5
57.03455	8.9
58.00595	1.4
59.01381	100.0
60.01707	1.6
71.01381	50.6
71.01784	2.5
72.99308	3.1
73.02948	45.8
73.03363	2.4
73.14879	1.1
75.00878	2.8
77.48249	1.2
83.01388	11.7
84.02170	1.2
85.02950	42.0
87.00895	2.7
89.02441	19.8
91.05524	1.9
93.03455	3.6
93.51533	1.1
95.01395	4.4
99.00885	3.3
101.02448	36.8
109.02946	1.5
111.00871	10.6
113.02450	20.4
116.05628	1.1
119.03516	5.8
119.05030	48.6
120.05380	2.3
121.02942	2.5
129.01924	10.5
131.03496	1.9
134.03745	2.2
135.04524	29.0
136.04839	2.2
137.02428	4.4
137.06076	2.9
143.03514	2.7
149.02457	2.4
149.04538	1.3
155.03473	1.5
161.04530	5.7
161.88022	1.1
164.04781	1.7
167.03542	2.1
179.03497	29.5
179.05540	2.8
179.07109	4.4
180.03874	2.1
193.12421	2.6
195.05040	2.1
203.70930	1.3
205.03557	13.9
223.04561	28.2
223.06485	2.4
224.04794	1.9
281.10321	15.1
284.81705	1.4
299.11322	7.1
323.84155	1.2
341.08585	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	341.1087
Annotation	Sucrose
Peak:m/z	Relative Intensity
55.01857	1.6
57.03452	1.7
58.00590	3.8
59.01380	100.0
67.04353	1.3
70.74533	1.8
70.74845	1.4
71.01383	70.2
72.01717	2.3
72.99301	3.6
73.02943	1.4
83.01382	3.3
85.02943	10.1
87.00871	5.4
89.02444	89.4
95.01389	3.0
101.02442	34.6
113.02448	28.9
119.03506	32.9
125.02451	3.1
131.03499	6.5
143.03519	9.1
149.04526	3.1
161.04565	12.9
179.05609	37.4
341.06882	3.2
341.10858	51.1
342.11212	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	341.1087
Annotation	Sucrose
Peak:m/z	Relative Intensity
57.03430	1.8
58.00588	4.0
59.01380	100.0
62.74812	1.5
71.01379	71.4
71.10305	1.3
71.54736	3.0
72.99310	3.3
73.02928	2.0
83.01392	2.3
84.20531	1.2
85.02923	9.2
87.00854	5.3
89.02445	94.2
89.67424	1.2
90.02727	2.0
93.22945	1.3
95.01375	3.9
101.02449	37.6
110.84981	1.3
113.02448	33.2
119.03499	33.6
125.02460	1.8
131.03510	4.0
143.03462	9.1
149.04546	5.4
161.04536	14.9
179.05621	36.4
180.05948	2.4
191.05658	2.0
341.10843	52.1
341.19980	1.8
342.10928	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	341.1087
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
54.27425	1.3
58.00577	2.6
59.01375	100.0
60.01724	1.9
69.58631	8.2
69.59042	3.2
70.47100	1.4
71.01379	72.9
72.99292	4.0
73.02955	2.3
85.02940	7.9
87.00851	3.4
89.02440	85.6
90.02754	2.5
95.01357	3.8
101.02431	35.0
102.74836	1.5
113.02443	24.5
119.03486	26.3
131.03496	2.5
143.03499	6.9
144.93735	1.3
149.04488	3.1
161.04561	10.5
179.05589	33.8
206.94653	1.6
232.11859	1.5
293.37872	1.6
313.72223	1.7
341.06757	2.5
341.10794	47.8
342.11105	3.8
347.11160	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	Sucrose
Peak:m/z	Relative Intensity
54.78023	0.3
55.01867	0.9
57.03444	1.5
58.00591	3.1
59.01376	87.6
60.01702	1.2
61.02934	0.3
61.98810	0.5
69.03446	0.8
71.01376	72.9
72.01712	1.2
72.99310	4.6
73.02944	2.8
75.00847	0.5
81.03468	0.3
83.01380	2.5
85.02943	10.9
87.00877	6.6
89.02439	100.0
90.02764	2.1
95.01383	3.6
97.02941	0.9
99.00873	1.2
101.02436	42.0
102.02768	1.1
107.03493	0.5
113.02442	32.8
114.02757	1.0
117.01950	0.4
119.03493	36.2
120.03839	0.7
125.02417	2.1
129.01945	0.3
129.85985	0.3
131.03494	6.5
143.03493	10.6
144.03850	0.3
149.04555	5.2
154.77197	0.3
161.04543	16.9
162.04845	0.5
179.05597	49.6
180.05983	2.0
191.05540	0.7
193.01425	0.3
249.72775	0.3
281.08676	0.5
283.06000	0.4
307.02286	0.3
323.05460	0.4
341.10825	64.6
342.11197	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	341.1086
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
53.49216	0.6
57.03445	1.6
58.00596	3.5
59.01379	100.0
69.03423	0.6
69.57948	1.8
69.58363	1.5
71.01381	66.1
72.01731	1.7
72.99305	2.2
73.02949	2.0
83.01397	1.4
85.02950	9.7
87.00870	4.7
89.02444	83.1
90.02798	1.1
95.01379	4.6
101.02441	33.8
102.02791	1.2
106.91658	0.6
109.56155	0.6
113.02445	27.4
113.87090	0.6
114.02753	1.2
114.45726	0.5
119.03500	29.1
120.03883	0.7
125.02435	1.0
131.03526	4.3
143.03487	8.8
149.04562	9.7
161.04556	10.2
168.42633	0.6
175.03571	0.6
179.05605	38.1
180.05960	1.8
191.05624	4.9
260.40579	0.6
281.08740	0.8
341.10858	50.0
342.11148	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	341.1086
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
55.01860	1.3
57.03432	0.9
58.00593	3.7
59.01380	100.0
60.01708	1.1
68.21326	0.9
71.01381	68.8
72.01700	1.3
72.99303	3.6
73.02937	2.2
83.01376	1.1
85.02956	10.7
87.00864	4.8
89.02444	89.8
90.02779	1.4
95.01394	3.5
101.02441	33.0
110.90078	1.0
113.02453	28.1
114.02738	1.0
119.03500	31.0
125.02460	1.0
131.03474	4.7
143.03456	8.2
149.04552	25.3
150.04909	1.1
161.04524	10.4
167.05147	0.9
179.05606	39.0
180.05917	1.8
191.05626	1.1
211.06494	1.0
240.18091	1.0
262.36282	1.1
341.10852	53.5
342.11130	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01857	0.9
56.33589	0.8
57.03444	2.4
58.00595	4.1
59.01382	100.0
60.01710	1.3
69.58359	3.5
69.58780	2.3
71.01383	68.0
72.01732	1.0
72.99307	3.2
73.02953	1.5
75.00912	1.1
83.01397	2.9
85.02944	10.8
87.00874	4.2
89.02444	88.3
90.02785	1.8
95.01392	2.9
101.02445	35.6
102.02821	1.2
113.02446	28.5
117.79613	0.8
119.03503	32.1
120.03876	0.9
123.04528	2.8
131.03491	6.5
135.04526	9.5
143.03510	9.2
149.04539	9.4
161.02423	2.9
161.04562	11.3
162.04866	0.8
163.04002	2.0
166.40910	0.9
167.03461	7.9
179.03517	11.2
179.05623	41.7
180.05943	1.4
341.10904	54.1
342.11334	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	341.1087
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01874	1.3
57.03434	2.5
58.00583	3.5
58.22326	0.8
59.01377	100.0
61.54838	0.8
61.98823	3.3
70.81096	2.5
71.01382	62.8
72.99306	2.3
73.02924	2.7
83.01392	2.8
85.02946	16.1
87.00887	5.0
89.02444	83.5
93.03457	1.0
95.01398	4.5
99.00876	1.0
101.02439	32.8
102.02805	1.2
109.36493	1.0
111.00893	1.4
113.02454	26.1
119.03501	29.1
119.05016	3.5
123.04541	1.7
125.02458	2.0
126.98645	0.8
129.01978	1.8
131.03468	3.2
133.02937	4.8
133.87700	0.9
135.04515	9.4
143.03471	7.6
147.02957	1.0
149.04565	3.3
161.02449	26.3
161.04526	12.0
162.02713	1.2
163.04027	3.1
167.03491	5.0
173.04541	3.8
179.03490	9.4
179.05588	36.8
191.05612	1.1
213.10477	1.2
237.40898	0.8
251.32892	1.0
305.11215	0.9
341.11057	48.6
342.11502	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1025
Annotation	3,5,7,8-Tetramethoxyflavone
Peak:m/z	Relative Intensity
53.77225	0.4
59.01377	7.5
61.98821	0.6
65.55145	0.4
67.01895	0.6
68.25411	0.4
68.99811	0.5
69.03452	10.6
69.34578	3.3
71.01379	5.8
83.01358	0.6
83.05009	0.5
84.02140	0.5
85.02943	0.9
88.75623	0.4
89.02439	6.6
93.03450	2.5
95.05006	0.8
101.02437	3.2
108.02169	1.0
109.02966	4.7
113.02436	1.7
115.00384	0.5
117.03432	0.9
119.03474	1.6
119.05017	2.1
121.02953	14.8
122.03766	5.4
123.04522	13.0
124.04872	0.7
125.31122	0.5
128.46504	0.4
131.03552	0.8
131.05002	1.0
133.06590	0.9
134.06113	0.7
135.04512	2.8
137.02414	5.6
143.03471	0.6
143.04994	1.5
145.01370	0.8
145.02959	2.5
146.03685	0.6
147.04510	5.0
149.02408	1.5
149.06197	0.6
154.02724	0.9
158.03712	0.7
159.04492	3.0
160.05305	2.1
161.04553	0.8
161.06052	1.8
165.05531	1.3
171.04497	2.0
171.10223	0.7
173.06067	1.4
175.03993	5.4
176.04768	31.2
177.05122	2.3
179.05626	3.2
187.04008	1.1
189.05521	1.7
191.07127	0.6
193.01414	1.4
227.13014	0.5
252.07941	0.5
263.07031	2.4
264.07785	2.8
265.08591	2.2
275.07025	0.6
281.08044	0.5
283.06125	0.9
291.06619	0.6
292.07227	1.5
293.08145	3.5
311.09186	4.1
323.05692	0.7
323.09332	1.5
341.10278	100.0
342.07086	0.6
342.10608	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	341.1028
Annotation	3,5,7,8-Tetramethoxyflavone
Peak:m/z	Relative Intensity
53.87567	0.4
55.66854	0.5
59.01379	2.4
67.01881	0.8
69.03460	12.0
70.49405	0.5
71.01363	1.4
71.16812	0.9
84.02174	1.1
89.02435	1.4
93.03460	1.7
95.16539	0.5
96.25952	0.5
108.02184	0.6
109.02955	4.3
117.03444	0.7
119.05010	1.9
121.02960	12.5
122.03761	5.2
123.04526	13.2
131.04990	1.1
135.04477	2.8
137.02461	5.4
143.05000	1.3
145.02980	2.4
147.04524	5.4
149.02463	1.6
158.03748	1.2
159.04501	3.1
160.05296	1.9
161.06082	1.3
165.05565	1.1
171.04507	1.2
173.06087	1.4
175.04005	6.2
176.04787	30.6
177.05144	2.0
179.05676	0.7
187.03972	1.6
189.05505	1.8
193.05127	0.6
193.64967	0.5
214.38954	0.5
263.07108	2.5
264.07813	2.4
265.08786	3.0
265.11075	0.6
281.08133	0.7
292.07373	2.2
293.08182	2.5
299.18668	1.6
311.09274	3.9
323.09265	1.4
341.10284	100.0
342.10648	12.8
347.46353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
56.67697	0.4
59.01382	7.8
69.86311	1.4
71.01382	3.2
72.99305	1.5
77.11610	0.3
78.31739	0.3
80.07153	0.4
81.03461	1.2
85.02955	1.8
89.02450	2.6
93.03472	0.7
98.20631	0.7
99.00886	0.8
101.02438	1.6
105.63692	0.4
107.05035	0.8
111.00862	0.5
111.04472	0.4
113.02442	1.4
119.03513	0.8
122.34424	0.4
125.02419	2.3
131.03566	0.4
131.32841	0.5
131.33868	0.4
132.02194	0.9
133.02966	25.7
134.03448	1.3
135.04532	9.7
136.04889	0.4
137.02364	0.5
138.22507	0.4
143.03535	0.7
146.40288	0.4
161.02457	100.0
162.02789	5.8
167.03532	0.8
173.04535	1.9
177.01909	0.5
177.05548	1.2
179.03513	20.3
180.03828	1.0
188.02252	0.4
191.05609	2.1
193.05089	0.5
203.03535	2.7
204.04007	0.4
205.03513	2.8
221.04526	1.5
223.04576	3.0
223.32114	0.4
258.91916	0.4
281.06659	2.0
341.05438	0.4
341.08755	12.6
342.09113	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	341.0877
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
52.95473	0.5
57.03460	0.8
59.01371	2.8
69.53924	2.8
71.01386	1.9
72.99310	1.2
75.00871	1.6
77.07185	0.5
81.03423	0.7
85.02944	3.4
85.31296	0.4
89.02451	1.8
91.05553	0.5
93.03490	1.0
95.01450	0.6
96.96969	1.0
98.20659	0.5
107.05051	0.7
111.00902	0.9
113.02496	0.6
119.03533	0.5
119.05003	3.9
125.02447	2.0
129.01953	2.0
133.02953	2.1
134.03746	2.0
135.04532	85.4
136.04852	4.1
137.02463	0.9
143.03477	0.6
161.02454	8.7
163.04022	5.5
167.03508	1.0
173.04526	1.9
179.03502	100.0
180.03841	6.5
193.05110	0.7
203.03523	0.8
205.03506	2.1
216.73901	0.5
223.04597	1.6
338.97861	0.4
341.01147	0.5
341.08536	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	341.0875
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
57.38605	0.4
57.73179	0.4
59.01371	4.0
61.66174	0.4
71.01374	2.6
73.02955	0.9
85.02926	0.6
89.02442	2.2
89.02957	0.4
101.02457	1.1
107.05000	1.3
113.02444	1.3
119.03535	0.9
119.05036	1.1
134.03726	3.3
135.04523	99.1
136.04851	4.5
137.02451	0.6
137.06094	1.1
146.03752	0.4
161.04539	0.6
164.24040	0.5
179.03490	100.0
180.03830	4.9
224.52869	0.5
245.91304	0.4
261.16916	0.4
281.10025	0.6
330.90945	0.4
341.08585	4.1
342.08972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01379	2.0
64.97701	0.4
69.71106	1.5
71.01388	1.5
72.99319	1.2
73.02953	0.7
81.03471	0.6
83.01405	0.4
85.02956	4.9
87.66560	0.4
89.02467	1.1
93.03458	1.4
98.20692	0.6
99.00834	0.7
101.02462	0.9
107.05035	0.9
111.00883	4.5
113.02455	0.8
119.04997	0.7
123.04541	0.5
125.02426	2.2
129.01939	1.4
133.02913	1.0
134.03755	3.7
135.04527	89.2
136.04852	4.1
137.02454	1.0
137.06090	1.2
147.02975	1.0
154.99855	0.4
159.27171	0.3
161.02455	1.5
167.03514	1.4
173.00919	1.5
173.04573	2.3
178.02637	0.5
179.03497	100.0
180.03839	5.4
193.05028	0.9
205.01761	0.5
205.03497	2.7
223.04446	1.8
251.05688	0.4
292.92993	0.4
341.05276	0.8
341.08722	15.4
342.08936	1.9
358.81168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06122	1.1
55.01883	1.1
57.03201	1.0
57.03454	10.8
58.11514	0.9
59.01383	11.7
68.99781	1.1
70.21865	3.6
71.01388	11.2
72.99311	5.1
75.00877	2.7
81.03438	1.8
83.01368	2.9
84.02167	3.6
85.02953	100.0
86.03278	2.3
89.02451	6.3
91.01885	1.8
93.03452	4.8
99.00869	2.4
101.02415	3.4
103.00332	1.3
107.05010	3.3
111.00916	8.2
113.02429	3.9
119.03486	1.7
119.05023	9.5
123.04520	6.5
125.02422	3.1
129.01938	8.9
133.02953	1.9
134.03705	2.7
135.04532	75.4
136.04849	3.6
137.02444	3.8
137.06087	2.3
147.03014	35.4
152.01091	1.7
161.02463	7.7
161.04527	1.4
163.04015	13.5
163.29349	1.1
167.03508	13.6
168.03825	1.2
173.00896	3.0
173.04523	4.5
177.03993	1.6
179.03506	91.9
179.05539	10.6
180.03770	5.8
186.51399	0.9
190.39745	1.1
191.05566	3.4
193.05037	1.8
195.05159	1.3
203.03534	1.5
205.03510	4.3
210.38594	1.0
221.04501	1.1
222.03671	1.0
223.04619	3.9
235.06110	4.0
297.06183	21.1
298.06476	2.3
341.04944	2.5
341.08768	3.9
341.11487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
58.00586	3.3
59.01381	86.9
67.80280	1.2
69.64582	6.6
71.01382	62.3
72.01694	2.1
72.99306	3.6
73.02968	5.4
81.94658	1.1
83.01392	2.1
85.02955	10.0
87.00874	5.1
89.02445	100.0
90.02760	1.8
94.38926	1.1
95.01392	3.4
98.05570	1.1
101.02437	26.5
102.02796	1.5
102.79307	1.1
103.04016	1.4
113.02452	22.8
119.03506	30.0
120.24358	1.1
120.73386	1.2
125.02334	1.1
131.03506	9.8
135.04497	4.4
143.03427	5.6
149.04556	83.6
150.04820	2.4
161.04559	9.0
163.53026	1.2
179.03459	2.4
179.03760	2.3
179.05620	35.6
180.06117	2.0
185.24001	1.1
190.73476	1.1
191.05637	3.0
341.10861	46.4
342.11264	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	340.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48698	13.8
58.18751	14.1
59.01364	65.1
61.98811	43.1
62.14544	14.5
68.71989	14.0
70.66300	44.2
71.01369	28.0
85.18547	15.2
89.02442	26.4
93.03422	19.2
101.02440	20.7
102.19115	14.7
111.34642	14.9
121.02967	99.5
176.04836	17.7
179.05722	21.2
227.12959	18.5
310.10846	27.7
325.13492	18.5
340.09497	100.0
341.10178	43.1
341.17807	28.3
363.44547	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	340.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01714	1.7
71.01400	1.1
71.44822	0.8
87.24004	0.6
89.02441	1.1
119.03479	0.9
140.61241	0.7
280.22861	3.0
341.10486	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	340.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40005	0.7
59.01381	100.0
60.01718	1.3
60.42807	0.6
63.80556	0.6
70.54784	1.2
70.55157	1.2
73.02962	0.6
85.02743	0.6
132.07951	0.6
213.15028	0.7
216.99117	0.6
222.18724	0.9
280.22812	4.9
341.10687	0.9
341.27136	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
54.53575	0.4
56.11633	0.4
63.82513	0.4
65.16788	0.4
71.01700	0.6
79.02914	0.4
98.20009	0.5
104.85645	0.4
123.92944	0.5
156.20625	0.4
163.11281	96.7
164.11589	6.4
203.55931	0.4
339.23267	100.0
340.23599	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	340.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21635	1.3
56.43474	1.3
57.03447	14.6
58.02969	6.8
59.01379	31.7
60.99312	12.8
61.32601	1.3
61.98819	1.5
69.86501	6.1
71.01380	23.9
73.02960	2.3
83.01378	1.4
85.02949	9.7
87.00892	2.8
88.98808	100.0
89.02448	22.5
89.03968	2.3
93.03497	2.1
95.01419	1.5
99.00858	2.9
101.02443	12.6
102.21735	1.1
113.02454	8.5
117.03449	8.2
119.03503	8.1
121.02963	11.9
129.01921	2.3
134.03741	81.8
135.04553	2.8
137.02373	2.0
143.03467	1.9
147.02982	7.5
148.90996	2.4
149.04576	1.5
149.06061	5.3
151.04016	1.3
155.53603	1.1
161.04539	3.6
163.04070	1.3
164.07170	4.5
165.04022	1.6
178.02713	5.7
179.03551	2.2
179.05602	9.1
179.07092	45.6
187.51343	1.2
193.05048	92.6
206.08177	15.4
207.08542	1.5
209.02797	3.2
223.04538	3.5
224.04735	9.2
252.04294	5.6
253.96829	1.7
267.06680	3.0
282.11343	2.9
310.07660	2.0
310.10886	21.1
311.11200	2.2
325.13098	18.4
340.15472	20.8
341.10873	13.7
341.15613	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	339.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48902	0.4
56.98124	0.5
57.03447	5.3
59.01376	28.3
61.98809	0.6
69.03463	2.3
69.21941	4.5
69.84514	0.5
71.01341	0.5
71.05008	0.6
72.99304	2.7
83.05044	0.6
85.02967	0.7
85.06599	0.9
93.07100	1.9
105.09544	0.5
109.06576	2.4
110.55473	0.4
111.04523	1.1
115.12659	0.4
119.77616	0.4
123.08105	0.7
125.09743	0.6
129.09219	10.1
137.06026	0.5
141.09256	0.5
146.92044	0.5
149.06041	0.9
151.07625	0.5
155.10786	1.9
187.37938	0.5
195.13876	3.2
207.13860	0.6
233.15453	0.8
279.15991	18.7
280.16302	2.2
297.17047	100.0
298.17377	8.6
303.16022	0.8
321.16965	0.9
339.05209	0.6
339.18069	5.1
339.21545	0.6
340.18372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58823	1.1
57.03447	5.7
57.37041	1.2
57.95547	1.1
59.01381	35.3
61.98839	1.7
67.01898	1.6
69.01791	1.4
69.03439	2.0
71.54707	1.9
72.99288	2.9
85.02911	1.4
93.07078	2.0
103.76842	1.3
109.06569	2.8
115.07587	1.6
115.68272	1.1
129.09210	6.0
155.10760	1.8
159.75284	1.4
178.99939	1.5
195.13887	4.7
208.10748	1.3
279.16049	17.3
280.16409	1.9
297.17059	100.0
298.17468	11.1
339.18076	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	339.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.0
59.01377	60.0
67.55840	4.9
69.03445	11.0
71.05008	15.5
71.23978	5.6
71.24325	6.2
81.03452	50.7
83.05016	21.3
85.02927	14.3
89.42941	4.6
93.03473	5.3
95.01395	4.9
95.05030	8.3
97.02940	18.8
97.06580	12.5
99.04526	73.3
107.04992	8.2
108.02169	11.6
109.02936	11.1
109.06567	11.4
111.04529	14.4
121.02940	20.2
121.04172	4.6
121.06602	8.0
122.03732	11.7
123.04503	6.5
125.06071	5.7
125.09739	6.6
129.09193	7.4
135.04439	8.3
136.79808	6.2
137.06058	15.2
149.06070	27.3
167.07095	13.3
171.10263	62.8
177.01839	7.2
177.12851	13.5
178.06302	15.7
191.14352	10.3
193.12309	22.5
199.13275	5.9
203.10698	7.2
207.13992	5.9
209.15459	6.3
235.13394	52.3
247.13365	7.2
249.11273	14.6
250.11998	9.3
253.14420	100.0
254.14699	8.2
279.16049	11.2
285.15085	9.5
297.17056	70.7
303.04611	9.6
303.15863	32.6
309.07538	6.4
321.17090	60.9
322.17361	8.0
339.18134	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	339.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63044	0.6
59.01382	100.0
59.26914	0.6
60.01710	0.5
61.98836	1.5
63.07119	0.5
71.01389	2.5
71.02059	1.1
71.57619	0.5
73.02954	1.9
77.36605	0.6
83.01406	0.9
85.02963	1.6
89.02451	1.0
94.11504	0.5
98.19903	0.6
99.00877	1.0
101.02461	2.9
104.54165	0.5
113.02471	1.2
115.18058	0.5
117.05547	1.1
119.05066	0.8
131.03561	0.7
145.03041	0.7
150.28481	0.5
161.02512	0.7
161.04581	2.0
162.03281	0.8
164.04253	0.6
177.01924	4.9
177.05652	0.8
178.05154	2.3
191.03639	0.6
219.03050	1.4
237.09781	6.4
249.04227	0.6
279.10846	4.2
315.02277	0.6
335.20673	0.6
339.07410	1.9
339.12912	1.0
347.38651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
60.35709	0.2
63.51455	0.2
69.31884	1.7
71.01391	0.2
85.02992	0.4
87.00899	0.3
93.03507	0.3
102.98594	0.3
107.05042	0.7
134.03746	2.9
135.04529	100.0
136.04865	4.6
176.04033	3.2
179.03548	1.2
193.05147	0.4
202.09096	0.2
236.41838	0.2
259.02454	0.9
281.08112	0.3
309.07748	0.6
324.10086	0.5
326.59311	0.2
339.11270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97071	1.5
59.01389	10.5
61.98824	3.1
64.75722	1.5
67.01892	95.6
68.02207	2.9
68.79877	1.6
70.17018	6.5
93.03468	2.7
97.40799	1.5
98.19989	2.1
121.02955	31.9
146.03792	1.8
161.06099	4.6
171.04518	2.0
174.03227	3.2
183.01166	4.6
187.03998	2.9
189.05569	100.0
190.05901	7.1
246.24796	1.7
339.16248	2.9
339.19958	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	339.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37944	0.8
51.69809	0.7
52.33590	0.7
55.87442	0.7
56.81192	0.6
57.03439	0.7
59.01380	27.8
59.21484	0.7
70.56098	1.5
71.01389	1.2
71.05014	1.3
71.53384	0.7
72.99316	0.9
73.02956	1.9
73.61240	0.8
75.00879	1.2
81.03448	1.5
84.02151	0.8
85.02942	0.8
87.00876	2.2
89.03983	0.8
91.01904	1.3
91.05534	7.5
92.05859	0.8
93.03501	0.9
99.04513	2.8
115.03999	0.9
117.03458	3.7
119.05019	1.5
121.02962	14.5
123.04488	3.6
129.05698	1.0
132.02177	1.8
133.05070	5.8
134.03772	0.9
135.04533	8.8
143.03494	1.2
147.04564	7.4
149.02440	93.7
149.06111	3.1
150.02782	3.8
150.05577	1.8
161.02400	0.8
161.04578	2.6
161.06084	2.0
163.03967	1.5
164.04793	64.5
164.08395	10.3
164.95071	0.7
165.05109	3.5
167.03520	8.1
168.03891	0.9
176.04060	0.9
179.05701	1.5
179.07123	4.2
185.46924	0.8
201.69366	0.8
207.10167	1.3
221.06607	6.4
223.06108	100.0
224.06407	7.2
244.53615	1.0
279.09094	1.0
297.09842	1.1
339.10870	1.1
340.21262	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48239	1.4
59.01378	4.2
61.98825	3.0
67.01894	100.0
70.35467	1.4
71.24082	3.0
77.38451	1.3
78.29881	1.4
90.53587	1.4
92.55468	1.3
93.03497	3.0
121.02956	31.6
161.06070	4.4
171.04573	2.4
174.03250	1.3
178.51230	1.4
178.91557	1.5
183.01270	1.5
187.03947	1.8
189.05577	88.8
190.05910	6.1
339.19955	8.0
339.25360	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	339.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
71.26582	0.6
73.02849	0.3
76.00499	0.3
81.03477	0.5
83.70992	0.3
89.03976	1.7
94.00582	0.3
97.89037	0.3
104.02678	0.6
105.03463	2.7
109.30255	0.3
111.04500	0.3
119.05009	1.6
120.05354	0.6
121.05619	0.3
127.23384	0.2
131.17744	0.3
133.02959	7.8
134.03262	0.3
148.01630	0.5
149.02417	1.0
163.03999	2.0
164.04335	1.5
165.04471	1.7
175.04987	0.3
176.01202	1.4
177.01924	100.0
178.02249	5.5
191.05588	0.5
192.05936	0.5
193.06108	0.5
339.07166	13.1
340.07532	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0722
Annotation	Sinapoyl-(S)-malate
Peak:m/z	Relative Intensity
57.03442	3.0
59.01382	33.2
61.75967	1.1
70.86997	2.6
71.01382	30.2
72.99303	1.6
73.02965	1.8
76.06367	1.2
83.01360	1.2
85.02959	20.8
86.58604	1.0
87.00876	6.8
87.01315	1.1
97.02875	1.2
101.02441	2.1
107.26688	1.1
111.00854	1.4
114.99615	1.7
115.00361	9.5
117.03451	1.8
121.02962	12.2
125.48176	1.1
129.01926	1.3
133.02878	1.4
134.03712	2.1
135.04530	100.0
136.04825	5.0
137.02463	1.3
147.03075	2.0
147.04506	5.9
149.02444	61.2
149.06122	1.7
150.02797	2.4
161.04558	3.4
164.04800	43.1
165.05057	1.3
167.03493	2.5
179.03453	2.5
179.07135	3.2
191.01965	4.3
193.01469	2.7
207.06615	2.0
208.03769	6.9
221.06647	2.1
223.06114	89.5
224.06425	4.7
297.09866	5.8
310.10764	2.6
325.12952	2.7
339.07532	1.6
339.10858	1.9
340.15201	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	37.6
69.69108	18.2
71.01374	13.5
72.99299	26.6
73.02925	3.4
75.00867	10.2
86.73267	3.4
88.91245	2.8
89.02443	27.5
97.06587	12.0
99.00865	10.2
111.08133	5.1
112.98804	8.5
117.01932	30.1
121.06593	9.3
125.06030	9.2
135.02972	10.3
139.07619	9.8
142.99861	52.3
148.72462	3.3
149.06058	11.9
153.05513	21.2
154.79523	3.3
166.06390	3.6
167.07098	18.9
171.06641	3.3
173.00882	15.4
174.01662	20.7
181.08661	3.7
193.05002	9.1
197.96228	4.0
207.10173	4.4
211.06090	5.0
222.69618	3.4
225.07678	27.9
233.05960	3.4
235.07579	7.3
240.07787	3.6
253.08557	5.4
263.07068	21.4
271.08218	8.4
281.08167	30.4
282.08719	3.5
291.06711	7.5
293.08386	5.6
294.08823	4.2
303.10721	8.0
307.10013	4.0
308.10397	7.1
309.07657	100.0
309.11227	6.9
310.08102	8.7
323.09229	19.3
324.06207	5.9
324.09943	64.8
325.10242	9.9
328.10696	3.9
339.09296	3.3
339.12283	79.5
340.12659	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	339.0719
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
59.01379	2.0
65.00304	0.7
65.03961	1.4
67.01883	0.6
69.17813	0.3
69.24926	0.3
70.09309	1.4
71.01375	0.9
71.05014	0.4
79.14822	0.3
80.02679	0.5
91.01895	49.0
92.02211	2.0
99.97080	0.3
107.01403	0.6
108.02193	1.2
109.02952	14.3
109.03705	0.7
110.03265	0.4
115.00375	0.5
121.02953	0.9
123.04530	0.5
133.01399	0.4
133.02940	1.1
135.00887	100.0
136.01137	3.8
137.02466	3.0
149.02403	1.3
151.04022	0.5
153.01941	62.1
154.02307	2.7
161.02438	1.8
175.04048	0.4
177.01970	1.5
177.05515	0.3
179.10742	1.8
189.01891	1.8
197.40846	0.3
223.09801	0.6
228.80417	0.3
279.05005	1.7
297.06116	1.0
339.07190	30.5
340.07489	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
71.26582	0.6
73.02849	0.3
76.00499	0.3
81.03477	0.5
83.70992	0.3
89.03976	1.7
94.00582	0.3
97.89037	0.3
104.02678	0.6
105.03463	2.7
109.30255	0.3
111.04500	0.3
119.05009	1.6
120.05354	0.6
121.05619	0.3
127.23384	0.2
131.17744	0.3
133.02959	7.8
134.03262	0.3
148.01630	0.5
149.02417	1.0
163.03999	2.0
164.04335	1.5
165.04471	1.7
175.04987	0.3
176.01202	1.4
177.01924	100.0
178.02249	5.5
191.05588	0.5
192.05936	0.5
193.06108	0.5
339.07166	13.1
340.07532	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.072
Annotation	Esculin sesquihydrate 
Peak:m/z	Relative Intensity
59.01376	2.4
67.12080	0.2
69.89677	0.3
70.65185	0.7
81.03464	0.5
81.68312	0.2
89.03982	1.4
93.03458	0.7
95.03054	0.2
101.02437	0.3
104.02679	0.7
105.03460	3.2
115.77633	0.2
119.05024	1.9
120.05349	0.6
121.05657	0.2
133.02959	7.9
134.03252	0.3
139.04134	0.3
148.01674	1.8
149.02429	1.1
163.04005	2.4
164.04381	1.7
165.04469	1.7
175.05019	0.5
176.01157	4.1
177.01923	100.0
178.02274	5.6
191.05595	0.6
192.06006	0.7
193.06201	1.2
196.80095	0.2
273.33905	0.2
276.67130	0.3
339.07150	13.5
340.07285	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64877	1.3
52.51021	1.4
54.29992	1.3
59.01380	100.0
59.20145	1.1
60.01717	1.9
60.59095	1.2
61.98822	5.8
63.39492	1.2
71.53968	1.1
73.75626	1.3
103.80978	1.2
121.02884	1.4
150.63708	1.3
172.95393	1.4
180.94092	2.2
183.01193	2.2
218.86711	1.2
222.93277	1.2
225.92477	1.5
251.53065	1.2
278.21161	2.2
332.87158	1.3
333.41330	1.5
339.16306	2.9
339.19861	3.0
339.25681	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	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44506	0.9
54.92822	0.8
57.03452	1.1
58.00592	1.8
59.01383	100.0
70.86710	2.0
71.01385	37.9
72.99319	2.8
83.01395	2.5
85.02956	8.1
87.00887	1.9
87.89359	0.9
89.02451	38.0
93.03461	3.4
95.01398	2.7
101.02454	20.1
105.91531	0.7
113.02460	12.7
113.09690	1.8
116.03850	0.8
119.03517	17.0
119.05021	1.7
124.61012	0.9
131.03503	1.7
143.03500	2.0
149.04509	1.3
161.04597	1.2
163.04007	1.8
173.04550	4.3
179.05516	1.9
191.05641	9.8
218.02782	0.8
222.34071	0.9
329.77289	0.9
337.15051	90.7
338.15393	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01713	0.9
69.63725	0.9
69.64137	1.5
95.96233	0.5
120.26888	0.4
167.19308	0.5
203.11673	0.4
316.58304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.41445	3.8
61.98819	5.8
65.19572	3.5
67.48746	4.2
69.43070	11.3
69.43485	19.1
71.02312	4.9
78.14846	4.1
85.24941	4.0
177.84563	4.9
191.05565	13.0
337.18182	21.3
337.23895	50.8
337.66254	4.2
338.24136	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	338.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01693	4.4
61.98828	13.4
70.79479	2.1
71.54489	2.6
72.99266	2.3
73.02947	5.1
75.00870	76.5
75.01305	3.7
80.33649	2.2
122.25690	2.2
138.14063	2.1
145.10254	3.9
152.99626	4.5
154.26736	2.2
170.05507	2.4
176.32547	2.4
254.12605	2.4
278.17621	4.5
320.31314	2.4
330.12894	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	337.093
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
56.53093	0.2
56.67459	0.2
59.01383	2.8
59.84998	0.2
60.99297	0.5
67.01892	0.5
69.03432	0.3
69.16516	2.4
71.01377	0.6
71.57818	0.2
72.43674	0.2
81.03436	0.3
83.05019	0.5
85.02946	6.6
86.03311	0.2
87.00856	1.8
93.03456	4.8
96.00906	2.5
98.02464	0.3
109.02953	0.5
111.04539	1.2
119.05023	1.5
127.04009	1.5
145.02896	0.9
163.03992	1.4
163.29205	0.2
171.03012	0.5
173.04541	1.6
191.05608	100.0
192.05956	4.2
239.37444	0.2
240.12393	0.7
280.16122	0.2
337.09341	2.4
337.14066	4.8
338.09747	0.4
338.14331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89645	0.6
57.03440	0.7
59.01381	4.2
67.01888	5.5
69.03456	1.5
70.96020	1.4
71.01379	2.3
81.03445	0.7
83.04998	1.4
85.02949	3.7
87.00876	3.6
93.02863	1.4
93.03455	26.1
94.03796	1.1
111.04530	4.2
116.01147	0.8
119.04156	0.9
119.05022	17.7
120.05305	0.9
127.04066	0.8
137.02444	3.3
145.02896	0.9
155.03479	3.5
163.04008	17.5
164.04305	1.5
173.04541	100.0
174.04860	3.4
188.07439	0.6
191.05603	65.1
192.05984	3.1
337.09256	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	337.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30058	0.2
57.03449	0.5
59.01381	9.0
60.01698	0.3
62.18009	0.2
67.01887	0.4
70.26623	0.2
70.91624	0.4
71.01376	0.7
81.03465	0.3
83.05013	0.3
85.02955	7.4
87.00885	1.7
87.78858	0.3
93.03466	4.7
96.00929	3.1
96.04531	0.3
98.02477	0.3
109.02987	0.5
111.00903	0.5
111.04541	1.2
117.03496	0.5
119.05039	1.9
127.04018	1.8
128.53835	0.2
137.02544	0.3
145.02957	0.9
146.06866	0.3
163.04042	2.1
164.13231	0.2
171.03024	0.7
173.04538	2.5
191.05617	100.0
192.05969	4.3
208.90741	0.2
236.72647	0.2
237.08017	0.2
240.12392	0.8
266.64221	0.2
301.08063	0.2
337.09253	2.8
337.14087	6.2
338.09598	0.5
338.14273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33867	0.4
57.03446	1.0
57.84012	0.4
59.01383	2.0
60.99287	0.5
67.01890	4.4
69.03443	0.9
69.45916	3.2
71.01379	3.8
81.03468	0.9
83.05022	1.4
85.02941	1.4
86.58763	0.4
87.00874	0.6
93.03456	30.3
94.03797	0.7
109.02963	0.9
111.00858	1.1
111.04515	6.0
119.05030	15.2
120.05369	0.6
127.03988	0.8
137.02448	4.7
138.02817	0.4
155.03522	4.6
163.04012	20.0
164.04367	1.4
173.04539	100.0
174.04886	4.9
191.05611	12.4
192.05829	0.5
337.09274	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	337.0929
Annotation	p-Coumaroyl quinic acid
Peak:m/z	Relative Intensity
59.01374	2.7
69.40089	5.0
71.01364	0.8
73.02923	0.9
78.55693	0.7
85.02953	2.9
87.00886	0.8
93.03461	4.5
98.20623	1.4
111.04547	3.4
119.05031	60.2
120.05371	2.8
124.60201	0.6
142.02484	0.6
155.03552	2.1
163.04016	100.0
164.04395	5.4
173.04544	5.1
173.55905	0.6
188.32230	0.6
191.05615	29.5
192.06006	1.1
196.17024	0.8
261.67813	0.6
337.09232	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48554	0.6
59.01370	1.8
68.99804	2.9
69.65322	3.3
71.01379	2.5
73.02962	1.1
75.00883	0.8
76.08933	0.6
83.01373	0.8
85.02953	5.0
87.00887	1.8
89.02451	0.7
94.60633	0.5
95.01391	1.1
97.02999	0.7
99.00865	4.6
101.02449	2.2
111.00878	1.6
112.04036	0.8
113.02446	6.2
113.99585	19.4
115.00392	6.7
127.00391	3.4
129.01941	3.1
135.44371	0.7
157.01443	4.0
158.04570	2.4
169.01456	1.6
174.01692	18.3
175.02405	1.6
202.67061	0.8
222.33673	0.7
277.05618	19.3
278.06027	2.1
288.42404	0.7
292.74881	0.7
337.07755	100.0
338.08148	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	337.0775
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
50.89888	1.0
52.35714	1.1
59.01376	22.4
60.01717	1.5
61.98821	1.6
68.99835	2.2
70.91624	2.6
70.91954	1.3
71.01377	9.1
72.99316	2.1
73.02937	2.3
75.00871	1.4
75.23178	1.0
78.95896	4.9
83.01376	1.9
85.02945	9.3
85.98785	1.0
87.00877	4.0
89.02445	5.4
98.65858	1.1
99.00871	5.3
101.02441	7.2
110.98508	3.7
111.00845	2.2
111.02009	14.0
112.98675	2.7
113.02438	8.4
113.99574	17.0
115.00340	10.8
117.50659	1.1
119.03467	1.7
119.05019	5.6
127.00359	3.2
129.01942	2.4
130.08743	13.2
131.09044	4.8
140.88092	1.1
152.99539	1.6
157.01352	4.3
161.04530	2.9
163.04004	12.4
174.01688	16.5
175.02538	8.6
178.97697	1.3
194.95523	1.5
223.02866	1.4
232.02892	1.6
256.81796	1.1
277.05670	22.3
277.08746	2.4
278.03415	5.2
278.06119	1.4
281.87540	1.2
294.94473	1.3
337.07715	100.0
338.08139	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	337.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84491	1.9
54.73168	1.7
57.03416	2.1
59.01376	100.0
66.31628	1.5
70.23047	3.9
71.01388	6.9
73.02936	4.0
85.02975	4.2
89.02432	9.2
94.23228	1.8
101.02423	5.8
104.73677	1.7
119.03574	3.6
119.05019	29.8
124.01626	2.6
139.04025	8.1
155.03514	1.9
161.04517	2.1
163.04001	57.7
173.04506	3.4
179.05585	2.0
191.05594	12.6
277.12744	1.8
337.06958	2.4
337.14758	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	336.9399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05845	0.6
59.01381	2.4
61.98840	1.1
62.43348	0.6
70.37647	0.7
70.38014	2.3
94.71487	0.8
108.71933	0.7
111.73016	0.6
119.93703	1.0
119.96999	0.6
134.43246	0.5
134.96089	34.5
135.96149	2.0
136.94008	59.5
137.94067	4.6
151.92729	5.0
152.91762	27.5
167.90450	4.3
178.95061	100.0
179.95155	8.0
182.39565	0.6
192.95859	1.3
194.92802	50.9
194.95654	2.1
195.93227	1.3
202.10049	0.6
210.90877	2.0
212.93869	2.2
250.93977	2.4
252.91853	3.3
274.88629	1.0
286.28516	0.6
292.94977	11.8
293.95169	1.1
294.92911	14.1
295.93030	1.4
308.94641	0.7
336.93964	84.5
337.94113	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	336.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61714	2.0
58.02960	2.4
59.01381	54.7
61.98838	1.9
66.40134	1.9
69.14610	1.6
72.99303	19.4
76.10731	1.9
85.02950	6.1
93.03455	2.5
94.02970	4.0
110.03728	3.7
114.09248	15.9
117.45222	2.1
117.92956	1.8
119.05037	3.8
133.06575	2.9
133.10239	72.4
134.10559	5.8
140.10823	11.3
159.08163	17.7
161.06055	2.6
163.05879	2.8
166.12325	3.9
177.09164	5.7
179.07162	6.0
191.05597	2.1
192.13867	1.9
221.08121	4.7
232.17021	16.6
276.16052	45.1
277.06577	1.9
277.16373	4.4
294.17102	100.0
295.17349	9.3
336.18173	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	335.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13122	0.4
53.15064	0.4
58.79071	0.4
59.01382	17.3
60.67368	0.4
60.84991	0.5
61.98830	0.8
70.75811	0.7
70.76138	0.6
89.97678	0.5
95.61451	0.4
97.80835	0.4
101.71362	0.4
108.45866	0.4
109.96090	0.4
110.64413	0.4
119.20895	0.4
121.43015	0.4
130.51749	0.4
131.55594	0.4
169.58902	0.4
178.91554	0.4
253.21724	100.0
254.22083	9.8
335.22037	22.5
336.22311	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	335.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.6
57.03447	18.4
59.01370	4.8
61.98801	1.2
67.01894	1.0
68.99832	1.3
71.01379	9.4
71.09956	1.5
72.99308	1.3
73.02945	2.4
75.00863	1.4
83.01385	10.6
84.02168	2.6
85.02949	100.0
86.03279	2.6
87.00884	1.4
93.03461	1.3
99.00877	1.9
101.02457	8.3
111.00880	31.0
112.01225	0.9
113.02453	1.1
119.61554	0.8
126.96600	0.8
129.01941	45.4
129.09222	16.0
130.02267	1.5
134.03728	0.9
135.04504	3.1
150.36360	0.8
161.04549	3.4
168.10555	0.9
177.03769	0.9
179.03493	2.0
187.02487	2.2
191.05571	2.7
205.03526	27.4
206.03831	1.7
223.04590	6.7
315.09943	1.0
335.13330	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	335.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.9
57.03451	1.6
57.37087	0.6
59.01383	100.0
59.87665	0.5
60.01721	1.3
69.25015	0.6
69.35010	5.0
71.01385	20.1
72.99310	0.7
73.02951	7.2
73.36811	0.5
75.00894	0.7
82.33543	0.5
83.01399	2.4
85.02958	8.6
87.00883	0.8
89.02456	7.4
95.01392	1.4
99.00893	1.7
101.02454	15.7
113.02454	7.2
119.03523	1.9
120.36919	0.6
122.21166	0.6
129.09216	1.0
134.03604	0.7
143.03520	0.7
155.10815	2.4
159.03024	1.3
161.04573	8.7
173.11852	1.1
185.07964	0.7
203.11174	0.5
204.11394	0.8
205.10770	2.1
222.51555	0.7
247.08199	0.7
275.14993	1.4
293.12744	1.2
293.16089	23.4
294.16470	1.9
335.10883	2.7
335.17133	23.2
336.17505	1.3
356.57022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
58.26074	0.8
59.01383	4.8
64.98351	0.7
70.90894	1.7
71.01379	0.9
73.02945	3.6
81.03452	1.4
81.83168	0.7
83.01373	1.2
83.05037	3.1
87.00895	0.9
93.03458	24.4
93.04027	1.6
94.03783	1.3
98.96138	0.7
99.00895	1.0
100.48775	0.8
107.05040	1.4
109.02966	1.4
111.04518	9.4
113.02424	1.3
117.03469	0.9
125.09734	1.0
125.24327	0.8
132.02147	1.2
133.02956	20.7
134.03767	6.6
134.31361	0.8
135.04526	100.0
136.04839	4.2
137.02446	8.8
143.07167	1.5
155.03540	4.3
161.02441	68.6
162.02798	3.3
173.04541	2.7
173.08121	1.6
179.03497	89.1
180.03806	4.4
194.06430	0.7
203.12787	0.7
247.05997	1.0
275.05487	0.9
291.08688	1.7
335.07703	47.8
335.20804	12.5
336.08151	3.8
336.21054	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	335.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42435	25.6
56.24616	25.1
59.01384	37.2
69.93084	100.0
74.84531	23.8
77.74470	21.5
79.56767	28.3
85.02972	23.1
96.16792	25.5
98.20557	39.0
100.76923	26.2
130.60548	26.7
137.02469	33.2
160.98448	29.3
201.16472	28.3
335.13382	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2023
Annotation	Ankorine
Peak:m/z	Relative Intensity
59.01380	100.0
60.89479	0.9
61.94770	1.1
69.85716	4.3
73.02923	1.5
84.04530	1.3
98.19912	1.2
101.34884	0.9
164.19220	1.0
164.84662	1.0
233.08179	1.4
234.08424	2.3
334.17471	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	335.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
69.18037	5.3
73.02952	2.3
78.62479	0.5
81.03471	0.8
83.05025	2.5
91.05603	0.5
93.03456	12.3
96.22722	0.5
107.05012	1.1
108.02169	0.5
109.02954	0.8
111.04520	4.0
115.62968	0.5
133.02945	7.3
134.03772	5.5
135.04529	100.0
136.04854	3.7
137.02449	5.0
155.03535	1.7
161.02444	24.9
162.02774	0.6
173.04543	1.8
179.03503	90.2
180.03839	5.7
183.36392	0.6
221.95137	0.5
313.90756	0.6
335.07718	29.6
335.20691	1.1
336.08057	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	333.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24099	0.5
59.01371	0.7
60.58964	0.5
61.98830	7.8
69.03461	0.7
69.86039	0.5
70.81176	1.2
81.92531	0.5
110.10961	0.5
121.10252	1.5
139.11301	2.1
146.96585	1.0
147.08156	1.4
163.07643	0.6
165.09232	2.2
165.34319	0.5
185.11823	100.0
186.12213	5.1
186.51291	0.6
187.13382	8.2
199.79398	0.6
251.19038	0.7
287.34888	0.5
333.20563	2.1
333.24332	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83962	0.6
52.29280	0.6
53.48327	0.6
54.16965	0.7
58.27419	0.7
58.89682	0.8
59.01385	2.8
61.98832	100.0
66.63528	0.6
71.01392	1.7
71.23017	1.3
72.97936	0.7
73.02990	0.8
78.95921	1.8
88.54490	0.6
89.02447	1.1
97.54353	0.9
106.02487	0.7
106.75134	0.8
108.02218	0.8
109.03003	1.0
112.98583	1.5
137.02397	0.9
149.02444	1.0
152.99648	0.8
165.05624	0.9
165.07129	0.6
208.09898	0.9
233.10646	1.1
316.12064	2.5
334.06509	1.3
334.12738	9.2
335.10077	0.9
335.13623	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	2.1
65.00327	5.7
67.01917	1.1
81.03455	4.2
82.00603	3.0
93.03449	2.2
95.01364	1.1
97.02954	11.5
97.37609	1.0
98.20753	1.9
99.00864	1.8
108.02161	1.4
109.02971	9.1
110.00092	11.8
112.98814	3.9
120.99334	3.4
122.00108	4.1
123.00934	5.1
123.04639	1.0
125.02458	9.4
125.99599	14.4
137.02446	59.3
137.99590	15.6
138.03214	1.8
139.00291	1.1
140.01064	1.1
141.01929	3.7
153.01927	17.1
153.05627	1.6
153.99065	7.7
154.02249	1.0
155.03510	11.9
162.84160	0.8
168.04276	4.6
169.01387	2.6
181.01408	6.7
187.34082	0.8
196.03767	100.0
197.04121	4.2
333.15295	2.1
333.20645	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86058	0.4
59.01383	19.6
61.98835	1.4
64.14773	0.4
69.76651	2.6
92.92038	0.4
98.20623	1.0
170.33507	0.5
179.20686	0.4
251.20169	100.0
252.20490	9.3
333.20483	17.9
333.24490	1.0
334.20898	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	333.1707
Annotation	Acronyculatin C
Peak:m/z	Relative Intensity
51.10149	0.7
59.01380	1.6
61.98843	0.8
81.03465	1.3
81.73144	0.7
83.01366	4.1
91.05257	0.7
105.07079	0.8
135.79941	0.8
137.02440	2.7
138.03210	1.5
145.06578	1.3
147.08157	3.6
149.06056	1.0
151.04079	1.4
163.00412	0.9
166.02734	8.6
171.08118	0.9
173.06111	0.9
175.04021	0.8
179.03506	27.7
180.03932	2.0
185.44424	0.8
187.07608	2.5
189.09221	8.9
190.24753	0.9
191.03487	4.5
191.07082	5.7
217.05003	1.3
219.06590	3.8
233.08173	78.8
234.08514	5.7
256.95639	0.9
291.15964	4.2
298.39130	1.0
299.57516	0.9
301.14285	1.2
333.17047	100.0
334.17404	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	333.1707
Annotation	Juruenolide C
Peak:m/z	Relative Intensity
55.55189	0.2
59.01373	0.7
60.69929	0.3
61.98832	0.3
94.76294	0.3
98.20692	0.4
99.68044	0.3
115.97335	0.3
117.53673	0.2
133.02940	0.4
243.17447	0.6
245.19109	1.1
247.37531	0.3
256.14548	0.3
271.17047	1.5
287.16537	0.6
289.18091	6.9
290.18539	0.9
315.15994	6.8
316.16217	0.9
333.17059	100.0
334.17389	11.5
347.19803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1707
Annotation	Acronyculatin C
Peak:m/z	Relative Intensity
59.01375	5.1
61.98827	5.1
69.77199	1.3
70.21046	4.0
73.02936	1.5
76.96519	1.1
78.28065	1.3
83.01403	1.7
107.05034	1.4
107.26974	1.3
137.02481	1.6
147.08121	2.3
151.03990	1.3
152.04790	1.2
171.12964	1.3
173.06075	1.3
179.03502	10.7
180.04207	1.4
189.09200	8.5
191.03497	5.5
191.07159	4.1
193.05009	6.5
217.05118	2.0
219.06708	2.8
231.11943	1.2
233.08199	49.4
234.08495	5.5
291.15952	8.4
302.87082	1.2
333.17090	100.0
334.17395	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	333.1708
Annotation	Juruenolide C
Peak:m/z	Relative Intensity
61.98824	1.7
62.82101	0.9
70.68412	1.9
70.68742	1.1
72.11446	1.0
81.03436	1.1
83.01395	3.2
120.17013	0.9
131.01413	1.0
137.02444	6.9
138.03200	4.0
140.80347	0.9
149.02460	1.2
160.56418	1.0
163.00365	2.6
166.02725	23.2
167.03250	1.7
174.57338	0.9
175.00331	1.9
175.07695	1.2
177.05643	1.5
179.03488	51.9
180.03853	2.2
189.09152	4.9
191.01744	1.9
191.03493	39.0
191.07127	2.5
192.03906	2.1
219.06615	9.7
233.08183	27.3
233.10349	2.0
234.08395	1.9
291.16043	1.6
297.03506	0.9
303.12393	3.5
333.17044	100.0
334.17352	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	333.1343
Annotation	(-)-Tetrodecamycin
Peak:m/z	Relative Intensity
55.01881	0.5
57.03452	2.2
59.01361	1.1
60.99301	1.0
61.21270	0.5
61.98816	0.7
69.23834	3.9
69.67246	0.4
71.01372	0.9
71.05008	0.5
73.02943	3.5
80.35410	0.4
85.02939	1.6
94.06639	0.4
101.02449	0.8
105.07133	0.6
108.33102	0.5
119.08646	0.9
126.66570	0.4
145.06596	1.1
157.06564	1.3
161.04474	0.7
171.08151	3.0
173.09618	0.5
175.11319	0.6
179.94226	0.5
187.11313	1.1
189.09216	2.1
189.12830	17.5
190.13255	0.8
201.09262	0.8
201.12885	1.1
212.12132	0.5
215.07114	4.5
215.10727	3.6
225.12805	2.3
227.10938	4.6
227.14395	20.8
228.14767	1.9
245.15431	12.6
246.15839	1.3
253.12393	1.1
259.09708	8.8
260.10043	0.8
271.09772	2.7
271.13379	6.8
272.13669	0.8
289.14462	10.2
289.17728	0.8
290.14969	0.6
315.12378	5.0
333.13422	100.0
334.13751	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	333.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78954	1.1
55.01856	3.9
57.03442	20.0
59.01382	6.8
61.98829	5.9
67.01926	1.3
70.87255	2.1
70.87598	1.7
71.01378	11.3
72.99339	2.7
73.02937	2.3
75.00853	2.6
83.01376	10.4
83.17833	1.1
83.66908	1.2
84.02166	1.8
84.86845	1.2
85.02947	100.0
86.03279	2.3
87.00883	2.1
89.02451	2.0
101.02435	7.6
111.00872	39.8
112.08733	1.1
120.61625	1.1
125.02402	2.4
128.36703	1.0
129.01939	44.0
130.02299	1.2
131.76236	1.1
136.07823	1.1
147.02998	1.9
151.00256	1.8
161.04555	1.8
166.00899	2.2
187.02533	2.8
205.03519	35.6
206.03804	1.6
223.04573	77.3
224.04832	3.3
256.26578	1.3
265.72351	1.2
291.88684	1.1
333.04834	1.5
333.11981	1.7
333.19186	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	333.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.3
57.03445	18.3
59.01378	7.7
61.98825	1.9
67.01854	2.0
69.79828	6.4
71.01382	9.4
72.99294	2.7
73.02931	2.8
75.00867	2.5
75.49699	1.1
83.01379	11.6
84.02167	2.3
85.02944	100.0
86.03299	1.8
87.00861	2.6
93.03445	3.6
97.99052	1.2
98.20607	1.4
99.00874	1.3
101.02431	6.1
111.00877	36.0
112.31548	1.5
113.02411	1.2
125.02393	2.0
126.68738	1.2
127.07671	2.3
129.01942	33.7
130.02225	1.3
134.55687	1.1
135.04552	1.4
141.51147	1.2
147.02983	2.1
155.10716	4.1
155.74806	1.1
161.04520	3.5
171.10271	1.3
187.02458	2.4
203.11111	13.0
205.03499	35.1
208.40659	1.1
223.04573	67.2
224.04880	4.5
273.11539	1.4
289.11694	1.7
291.12350	2.8
291.14972	1.9
306.64999	1.1
331.91855	1.3
333.13834	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39889	1.0
58.00562	0.8
59.01388	3.1
61.98816	3.8
69.57674	6.9
73.02949	1.2
80.05052	1.3
83.01362	1.0
88.16509	1.0
92.05071	1.6
94.06628	5.2
98.20721	1.6
104.05111	2.7
104.72301	1.2
105.03459	1.9
106.06625	13.7
108.04562	1.9
113.02584	1.3
120.04562	5.0
122.06122	17.1
123.03274	2.2
132.04552	7.8
138.05620	21.0
148.04063	1.2
150.05592	3.6
203.09363	1.2
217.07376	2.7
218.22069	1.0
241.09828	3.2
243.11313	2.1
243.13919	1.0
289.11929	100.0
290.12280	8.7
306.37442	1.0
333.10870	13.4
333.15018	1.9
333.19345	3.2
334.11517	1.4
340.12842	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
57.77452	0.4
59.01375	0.7
62.56734	0.4
63.93004	0.3
69.43601	3.1
71.01366	1.0
73.06532	0.4
78.03529	0.9
80.05053	0.6
80.24203	0.5
85.02962	1.4
92.05082	2.6
94.06623	4.2
101.02433	0.6
104.05075	2.6
105.03469	2.2
106.06627	12.0
107.03749	0.8
108.04566	2.0
110.02486	0.6
114.78397	0.4
120.04558	5.7
121.05312	1.5
122.02479	0.9
122.06125	13.6
123.03281	2.3
124.07685	0.6
125.65667	0.4
131.03754	0.7
132.04564	7.3
135.03262	0.7
138.05615	23.3
139.05997	0.7
139.11240	0.4
150.05605	3.1
166.05083	0.6
174.12866	0.9
188.07150	0.5
189.07944	0.9
200.05838	0.4
201.11285	0.5
202.08783	0.5
203.09396	0.6
213.06667	0.6
215.11877	1.8
216.10207	0.7
217.07414	1.4
226.07513	0.5
228.08946	0.5
229.09911	0.9
231.08989	0.9
231.11137	1.0
241.09821	2.7
243.11421	1.7
259.11005	0.6
271.10922	1.2
289.11942	100.0
290.12286	9.7
298.36377	0.4
333.10849	8.9
334.11157	0.9
345.87073	0.4
355.54199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69441	0.8
57.03435	1.3
58.99595	2.4
59.01379	8.6
60.18586	0.8
61.47522	0.8
61.91172	0.8
69.33670	6.9
71.01379	1.6
71.70251	1.0
83.01409	1.3
83.05028	1.0
85.02951	8.7
87.00866	3.4
87.02749	1.1
93.03424	1.8
95.05029	0.8
97.02960	2.9
101.04322	2.9
102.98594	4.8
110.01951	6.0
111.00877	2.6
120.99657	31.8
121.06598	1.2
125.02429	0.9
129.01953	2.6
129.72208	0.8
135.08194	1.0
137.09715	22.8
138.10091	1.0
149.09738	3.6
151.05798	1.0
153.07449	2.3
167.10764	20.7
172.05664	1.7
183.08478	35.2
184.08778	2.0
185.11833	1.8
201.09514	1.7
203.11099	48.5
204.11389	3.2
205.03561	2.3
210.17499	0.8
211.09744	3.8
223.04565	5.6
227.07458	13.8
228.07773	1.2
245.08498	25.1
246.08957	1.9
273.11621	3.9
291.12723	7.4
292.13104	1.2
327.04703	0.9
332.35254	1.1
333.10138	100.0
333.13824	9.3
334.10483	11.0
334.14185	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	43.1
61.10571	6.1
61.98829	7.4
71.01373	24.4
71.53220	10.8
78.95906	37.3
83.01382	14.3
89.02444	27.2
96.96935	13.1
101.02448	17.8
103.91121	5.9
119.03463	9.0
125.02447	100.0
141.15601	5.4
145.34558	5.7
149.02495	6.1
152.99577	28.1
158.45586	6.3
160.06221	6.3
161.04536	8.7
179.05548	16.2
241.01180	18.9
249.76485	5.6
287.07553	7.0
297.11981	64.3
333.05911	21.3
333.09509	74.1
334.10147	5.8
334.15063	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74253	0.8
55.01877	8.0
57.03436	2.4
58.99577	1.0
59.01379	16.8
67.01955	0.9
68.78822	0.8
69.03466	1.5
69.40878	1.3
69.41286	5.0
71.01373	5.9
71.05021	0.8
73.02946	2.3
75.00872	2.4
83.01376	1.9
83.44901	0.7
85.02947	14.9
87.00886	3.1
89.02463	2.6
90.26270	0.7
97.02962	2.0
99.00888	2.0
99.13429	0.8
101.02455	3.0
101.04309	4.1
110.01939	5.8
111.00890	4.9
111.02822	1.2
113.02470	1.5
113.09732	3.7
115.07675	1.4
120.99663	7.9
129.01938	11.7
131.97449	0.8
135.08170	1.0
137.09717	19.0
143.03535	1.1
147.02986	8.1
149.09700	3.8
153.07352	1.7
155.10753	1.2
161.04538	1.1
167.10770	19.2
168.11107	1.7
172.05672	1.1
183.08472	29.7
184.08823	3.0
185.11823	100.0
186.12192	5.7
203.11133	4.8
205.03601	4.5
211.09755	3.7
223.04572	9.9
227.07423	12.4
228.07784	0.9
245.08513	28.6
246.08786	2.0
291.14578	1.4
302.00830	0.8
333.10120	84.2
333.15475	14.1
334.10391	7.8
334.15854	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
61.98842	7.9
65.27688	1.7
68.14767	1.8
71.54586	2.8
83.14908	1.6
109.80906	1.8
116.08839	1.8
119.08663	3.4
121.10275	2.6
139.11295	2.7
141.12828	2.7
147.08115	2.9
149.05675	1.7
159.96582	1.5
163.07571	2.6
165.09280	2.1
185.11824	100.0
187.13379	41.0
250.18922	12.8
289.21826	2.0
332.19156	2.2
333.24304	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0615
Annotation	Cedrin
Peak:m/z	Relative Intensity
55.01886	0.5
55.78373	0.2
57.03441	0.2
59.01374	0.9
67.01891	0.5
68.99824	0.4
69.03461	1.0
71.01389	0.4
71.31950	0.3
73.02931	0.3
75.00862	0.3
77.03974	2.2
79.01899	0.6
83.01393	2.3
85.02894	0.6
89.02449	0.4
93.03455	3.7
93.42535	0.2
93.98956	0.2
95.01405	1.4
97.02952	10.9
97.73344	0.3
98.03294	0.3
101.02462	0.5
109.02962	2.1
121.02955	11.1
122.03233	0.4
123.00899	0.9
125.09747	0.3
129.01939	0.7
132.05832	1.2
133.06604	0.5
137.02443	37.3
138.02773	1.7
139.04018	0.3
139.27609	0.2
147.03030	0.6
163.00381	0.8
164.04762	0.8
165.01926	100.0
166.02272	4.7
185.11818	5.9
186.12137	0.5
197.04547	39.5
198.04886	1.9
201.12799	0.8
203.11147	1.5
209.00882	1.1
223.02380	0.7
223.04373	0.2
257.04474	0.4
289.18100	0.9
299.01920	0.2
301.03534	8.5
302.03760	0.9
333.06107	4.3
333.17059	2.5
334.06482	0.6
334.16925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	47.6
61.24200	32.8
61.98819	100.0
62.72116	35.3
71.02826	40.5
71.03154	78.1
78.59994	32.7
79.30936	32.3
82.94680	34.0
118.51340	33.7
126.50265	39.5
146.96532	40.7
195.97101	33.8
203.03307	43.1
302.02573	50.1
317.05228	98.0
332.07471	63.7
332.15695	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	331.2278
Annotation	CHEBI:68863
Peak:m/z	Relative Intensity
57.06620	0.8
58.37626	0.9
59.01362	1.8
59.89520	0.9
61.98822	1.2
69.03441	1.2
69.56490	6.0
78.95911	1.8
83.77074	1.0
97.06569	1.4
102.47002	0.9
116.92862	1.1
119.08659	3.5
125.09756	0.9
127.11239	2.5
133.06635	1.4
139.11253	2.7
143.05031	1.1
145.06561	2.7
151.11253	1.5
152.99564	3.9
153.99904	1.3
163.07625	2.1
175.11234	1.2
177.12820	3.8
183.10229	1.5
185.11823	100.0
186.12167	5.7
280.23557	1.3
285.22321	1.7
287.21350	1.1
287.23801	58.5
288.24243	5.9
331.22772	92.5
332.23099	12.6
347.47668	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1174
Annotation	Furametpyr
Peak:m/z	Relative Intensity
54.92806	1.1
59.01380	7.6
59.52297	1.1
68.27485	1.1
69.55952	2.6
69.56368	5.3
71.01376	2.3
73.02943	2.4
79.50908	1.1
85.02943	1.6
86.02501	1.7
87.02716	1.5
97.02939	3.5
99.04508	1.4
101.04303	5.2
102.05659	1.2
109.06602	1.6
110.01952	9.2
111.02737	2.2
120.01260	12.7
120.94106	1.4
128.03529	4.6
135.08064	1.4
137.09734	32.3
138.09998	2.5
143.03462	1.4
149.09718	6.1
153.07402	3.5
164.07068	1.2
167.10793	31.1
172.05646	4.0
183.08498	54.4
184.08894	3.2
201.09424	1.9
201.11223	1.6
203.08136	1.5
211.09778	6.2
215.09344	1.4
227.07478	26.9
233.86531	1.2
245.08524	68.7
246.08794	3.8
314.10703	1.3
332.11725	100.0
333.06339	2.0
333.12057	11.2
333.19141	18.1
349.77649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.3
61.98815	2.4
69.03452	1.3
71.53020	1.2
71.53423	1.4
78.95922	2.1
97.06590	1.6
119.08663	2.1
125.09714	1.9
127.11263	2.4
133.06578	1.4
139.11273	2.3
145.06590	4.4
150.39417	1.5
152.99561	4.7
163.07643	3.1
175.11234	1.6
177.12851	3.5
185.11824	100.0
186.12111	6.5
280.23557	1.5
287.23798	43.1
288.05197	1.7
288.24167	4.0
331.19403	2.6
331.22769	67.6
332.23120	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	331.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72996	0.9
58.02571	0.8
59.01361	1.3
61.98826	1.0
71.46120	1.6
75.74227	1.0
78.95901	2.4
84.72263	0.8
96.82538	0.9
110.55164	0.9
119.08669	7.6
125.35231	1.0
130.00555	0.9
132.18056	0.8
137.36186	0.9
139.11273	1.2
139.87016	0.9
144.39932	0.9
145.06557	4.2
152.99554	4.7
163.07639	9.2
171.39357	0.8
174.24623	0.9
185.11823	100.0
186.12146	6.4
250.14656	1.0
280.23489	1.6
331.19025	10.1
331.22742	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	331.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17124	7.5
59.01368	14.8
74.66215	7.6
108.59574	7.8
295.22833	100.0
313.14554	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	331.1914
Annotation	Taiwanin F
Peak:m/z	Relative Intensity
53.23745	0.5
55.01874	1.9
57.86177	0.5
59.01382	0.8
63.55600	0.5
70.76427	1.2
77.65051	0.5
83.13885	0.5
85.02874	0.6
87.04507	1.0
95.05019	1.6
97.06593	2.4
115.05539	0.8
121.06577	1.0
123.08166	5.1
125.09736	7.8
130.04242	6.8
131.04985	1.5
135.08180	4.9
137.09729	32.7
138.10043	1.4
139.07655	0.7
143.05032	10.4
144.05823	10.1
145.06624	3.6
155.05003	1.6
156.05814	10.3
157.06639	3.5
158.03728	1.3
159.04515	0.5
162.06850	1.1
171.04568	4.0
176.04759	5.1
183.08122	1.2
194.05869	1.1
197.09677	1.4
198.10490	0.6
209.72182	0.5
211.11333	0.7
213.12773	0.6
225.12759	0.5
239.14371	4.4
253.15941	0.8
254.16728	0.8
257.15543	0.9
263.14374	1.0
269.15442	1.7
269.19177	0.6
281.15463	15.3
282.15820	1.8
298.15781	0.6
299.16498	14.7
300.16873	1.7
313.18091	15.7
314.18423	2.2
318.52371	0.5
331.19147	100.0
332.19534	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	331.1915
Annotation	11,12,14-Trihydroxyabieta-8,11,13-trien-7-one
Peak:m/z	Relative Intensity
59.01371	5.4
61.98823	2.6
70.80920	3.4
107.05042	1.7
108.02192	2.5
121.02958	14.1
123.00875	22.3
124.01614	2.5
125.19230	1.3
134.03738	51.9
135.04590	7.1
136.05307	1.9
138.03221	28.4
139.00401	1.4
139.03984	3.1
149.02440	50.7
149.06081	100.0
150.03250	14.3
150.06796	7.6
151.04041	7.8
163.04080	1.7
164.04796	8.1
165.05569	56.6
166.05937	3.0
184.75615	1.2
194.05849	35.9
195.06636	18.2
301.02554	1.4
331.19153	45.4
332.19424	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	331.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13729	0.3
55.01859	0.4
58.42722	0.3
59.01375	0.9
61.98822	0.3
63.22232	0.3
70.09498	0.7
73.02930	0.4
75.00875	1.1
76.09171	0.3
82.29021	0.3
87.00875	0.6
117.01920	1.4
118.06590	0.3
120.99946	0.3
128.01868	0.2
135.02983	3.2
183.13889	14.2
184.14211	1.0
195.13887	12.2
196.14198	0.6
211.13341	0.4
213.14943	100.0
214.15303	7.9
229.48528	0.3
302.96497	0.3
331.03033	0.3
331.17542	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76944	0.5
57.08585	0.5
59.01365	2.2
61.98826	6.0
68.14246	0.5
70.82710	0.9
71.01373	1.2
85.02995	0.9
89.66470	0.5
93.03412	0.5
103.46054	0.5
108.02195	0.5
111.00872	0.8
117.01944	0.9
127.00388	0.7
135.03018	0.6
183.13887	13.3
184.14285	0.8
189.62024	0.5
191.03481	0.5
195.13899	12.4
196.14238	0.9
213.14948	100.0
214.15283	8.1
231.06506	0.5
331.03107	0.5
331.15204	2.8
331.17773	4.1
332.17700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.155
Annotation	Gibberellin A4
Peak:m/z	Relative Intensity
51.87306	0.4
55.01872	0.6
57.03437	1.0
59.01373	1.0
60.99292	0.7
65.35982	0.3
69.73100	1.9
71.05004	0.5
73.02946	5.2
75.87439	0.3
114.90177	0.3
116.92888	0.3
127.00455	0.3
135.47131	0.4
146.70049	0.3
157.10199	0.7
170.58360	0.3
173.09692	0.6
183.11797	0.4
187.14928	0.4
213.09486	0.6
213.12833	10.8
214.13187	1.0
221.13354	0.5
223.15005	0.6
225.12962	1.6
225.16467	4.1
237.12764	1.0
239.14420	1.5
241.15988	1.2
243.17522	12.7
244.17891	1.1
251.14458	0.6
257.11801	12.6
257.14536	0.7
258.12256	1.7
267.13663	0.4
269.12299	0.5
269.15445	7.9
269.18427	0.4
270.15863	0.8
285.14981	1.2
287.16541	12.2
288.16797	1.0
313.14487	4.6
314.14828	0.6
331.15494	100.0
332.15820	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	331.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23939	0.9
54.23087	0.9
55.01881	0.9
55.30599	0.8
57.03449	6.6
59.01385	5.3
61.42875	0.9
69.03461	12.3
71.01030	1.2
71.01373	6.0
71.05023	3.5
71.13409	2.2
73.02948	6.9
75.00878	1.7
82.02944	1.1
85.02947	7.1
85.06593	2.7
87.00877	2.6
89.02459	1.1
101.02441	3.1
104.24944	1.0
108.02142	1.4
109.02929	0.9
111.04515	4.3
111.08166	4.0
111.44736	0.9
113.02423	1.4
113.06084	2.5
118.98058	1.3
123.04501	0.9
123.08213	1.1
125.02504	0.9
125.09709	1.1
129.01892	1.0
129.05585	6.7
137.09686	1.6
139.11290	16.8
140.11604	1.2
147.02989	5.9
149.02419	1.0
161.04523	1.0
165.03952	1.4
167.03387	0.9
179.03465	1.1
181.08745	1.3
183.10262	100.0
184.10608	5.2
199.09741	14.0
201.09491	1.8
211.05020	1.3
276.58890	1.0
287.10315	2.2
331.08856	2.6
331.14005	28.3
331.17563	2.7
332.14383	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	331.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
55.41831	0.5
57.03439	1.2
58.12444	0.4
59.01382	11.9
62.39317	0.5
69.44273	0.7
71.01384	14.3
71.15818	0.5
71.54740	0.7
72.87942	0.5
73.02958	4.6
83.01395	2.0
83.61337	0.5
85.02955	7.0
87.00894	0.8
89.02443	6.5
95.01383	1.0
99.00873	0.8
101.02447	10.4
108.02151	1.2
113.02441	6.1
119.03513	2.1
129.01984	0.6
131.03493	1.1
135.08156	1.1
137.09737	8.1
139.11317	0.8
143.03470	0.8
149.04567	5.8
151.00258	0.6
155.10786	100.0
156.11124	3.8
159.03029	0.9
159.06596	0.8
161.04552	6.9
179.05722	0.6
183.10248	1.1
185.11839	0.6
189.66953	0.5
199.09761	52.8
200.10112	3.6
201.09576	2.1
201.11292	0.8
202.11697	0.9
268.30017	0.6
291.20526	0.7
331.14005	12.4
331.17752	2.7
332.14182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	28.7
57.03447	7.5
58.00612	1.4
59.01380	20.1
69.03457	17.1
71.01382	22.0
71.05018	4.0
72.99291	1.8
73.02944	3.1
75.00871	6.3
83.01402	1.4
85.02952	10.5
85.21571	0.9
87.00897	1.6
89.02439	17.6
93.03512	1.2
101.02428	12.4
108.02181	2.2
111.04510	2.5
111.08132	4.0
113.02436	5.8
113.06079	1.4
119.02757	1.0
119.03468	5.5
120.47026	1.0
123.08138	1.9
125.02450	1.0
127.94215	1.0
129.01945	44.5
129.05612	2.0
130.02319	1.4
135.04469	2.8
137.09761	1.1
139.11287	21.2
147.02991	39.0
149.22797	1.0
161.04526	2.0
173.04561	2.3
179.03479	2.2
183.10254	100.0
184.10678	5.6
199.09741	4.3
203.11081	1.2
211.09639	1.6
211.19922	1.0
229.14613	1.0
267.66864	1.0
331.14001	54.2
331.17520	3.1
332.14304	5.7
332.75287	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	6.9
59.01376	8.8
59.58248	0.8
69.03453	14.0
69.75092	0.8
69.80199	4.1
71.01382	6.9
71.05013	3.1
72.99301	5.3
73.02923	1.6
75.00871	28.3
82.59457	0.8
83.01400	1.0
85.02940	7.7
87.00835	1.3
89.02446	3.1
99.00876	2.1
101.02440	3.0
103.04008	0.9
108.02180	0.9
111.08150	4.3
113.02426	1.6
113.06110	1.8
119.03497	1.5
123.08200	1.3
129.01938	6.3
139.11298	20.8
147.02992	28.8
148.03394	1.0
158.38266	0.9
161.04494	1.2
165.04051	1.8
183.10252	100.0
184.10605	6.4
230.20822	0.8
266.18701	0.9
272.46561	0.8
308.13693	0.8
326.02832	0.9
331.13965	60.0
332.14291	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	331.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	10.6
57.03445	2.0
59.01372	1.1
69.30195	6.9
71.01375	3.5
71.01735	0.7
75.00871	3.7
83.13516	0.8
85.02946	2.5
89.02392	1.1
99.00890	1.8
99.04572	0.9
101.02438	1.3
104.03505	0.8
117.01921	1.0
123.08181	1.2
125.06086	13.9
129.01950	16.5
135.98714	0.9
147.02980	17.2
148.03262	1.0
183.10262	100.0
184.10599	5.3
199.09763	2.0
297.69824	0.9
313.92847	0.9
331.13971	29.6
332.14371	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	331.0671
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
56.45333	0.8
57.03452	4.7
59.01384	6.3
60.09124	0.7
65.00315	4.2
70.64949	2.3
71.01371	4.9
73.02923	1.4
79.01923	0.8
81.03470	3.1
83.01385	15.1
85.02950	2.3
93.03445	0.8
93.73254	0.9
95.01368	1.8
96.96008	1.5
97.02962	1.0
101.02430	3.5
107.01393	10.2
108.02177	35.2
109.03046	5.0
113.02433	2.2
121.02966	0.9
123.04530	1.3
124.01659	1.9
125.02443	49.3
126.02766	1.6
149.02438	1.6
151.00371	54.6
151.03908	1.2
152.00659	2.7
161.04558	8.9
167.03471	1.6
168.00673	4.1
169.00005	1.4
169.01428	27.3
170.01587	0.9
170.62970	0.7
175.00349	7.8
176.00815	0.8
193.01382	5.8
194.25725	0.9
207.20781	0.8
211.02428	2.1
271.08160	5.3
331.06699	100.0
332.07123	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	331.122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34440	0.9
52.67692	0.7
55.01871	2.2
55.32202	0.7
57.03453	1.7
57.20308	0.9
58.99594	2.0
59.01381	20.3
62.87487	0.7
68.85152	0.8
69.94715	0.8
71.01382	24.5
71.55280	0.9
72.99295	1.8
73.02943	5.8
73.67198	0.8
81.17672	0.9
82.14798	0.9
83.01387	3.6
85.02942	11.1
87.00872	19.0
89.02457	8.5
95.01381	1.9
99.00875	3.1
99.04564	0.8
101.02440	17.4
102.88808	0.8
102.98601	7.3
108.02186	2.1
109.02942	1.2
113.02455	9.6
119.03498	3.8
120.99653	49.5
122.00008	1.2
125.02445	1.0
139.11221	1.0
143.03494	1.7
147.11813	7.6
153.41713	0.8
155.10770	4.2
159.03004	2.1
161.04543	10.0
165.12830	2.4
169.12256	0.7
194.78693	0.9
199.09734	1.7
201.09543	2.8
201.11305	1.5
209.11818	26.4
210.12170	2.0
230.88582	0.8
235.00519	1.0
243.10574	28.3
244.10953	2.2
331.12164	100.0
331.17438	2.9
332.12469	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0671
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
62.46242	0.5
67.40543	0.5
69.03448	2.2
69.21651	0.5
69.95625	0.5
70.80360	1.3
79.01898	1.7
83.01394	1.0
85.02960	0.5
95.01385	0.7
97.02945	1.6
107.01368	1.3
107.75539	0.5
108.02156	1.2
123.00864	3.7
124.01665	13.7
125.02451	56.5
126.02765	1.7
128.56168	0.5
129.32980	0.6
137.02499	0.9
149.99591	26.5
151.00407	2.5
153.01933	2.3
167.03464	0.8
168.00639	59.5
168.04289	1.7
169.01334	4.4
169.04756	0.7
185.50136	0.5
193.01489	1.0
210.86134	0.4
226.13321	0.6
256.10840	0.5
313.05609	7.9
314.05804	0.7
331.06696	100.0
332.07043	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	331.067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.9
59.01374	3.3
65.00326	3.0
65.00774	0.8
68.20586	0.8
69.03458	1.3
70.18304	3.3
70.21380	1.0
71.01365	1.5
79.01868	1.0
81.03458	2.7
83.01401	9.0
89.02417	1.7
97.02910	1.2
101.02397	1.4
107.01403	6.7
108.02197	7.3
109.02980	1.0
121.31120	0.9
123.00925	1.3
124.01653	8.3
125.02450	57.9
126.02870	1.4
131.01398	1.3
149.02502	1.0
149.99585	10.1
151.00372	39.1
152.00656	1.7
157.35071	1.0
161.04514	2.3
167.03442	2.0
168.00644	27.8
169.01424	21.6
170.01756	1.3
175.00397	5.5
179.05630	1.6
193.01392	4.2
200.06631	1.1
211.02377	1.4
271.08157	1.3
313.05649	1.8
331.06696	100.0
332.06931	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	331.046
Annotation	Laurencenone A
Peak:m/z	Relative Intensity
50.30185	0.4
59.01382	3.9
62.00097	0.5
65.00355	1.4
68.99844	1.1
69.22102	1.2
69.22526	3.3
71.01379	5.2
72.16740	0.4
72.99328	0.8
73.02979	1.3
75.00945	0.4
76.60978	0.4
78.26657	0.4
82.00648	0.8
83.01423	0.9
83.23110	0.4
85.02956	2.7
87.00959	0.5
89.02493	1.7
95.01441	1.6
96.99350	0.6
98.07389	0.5
98.19917	0.8
101.02430	4.2
108.02187	0.6
108.99414	0.6
110.00100	29.3
111.00900	7.5
113.02431	2.3
123.00931	1.9
123.15651	0.4
124.98818	1.0
125.02454	0.5
125.99615	1.1
126.58041	0.4
136.98805	3.4
137.99605	10.5
139.00381	25.5
140.00723	1.0
141.99091	1.3
148.01752	1.2
151.00345	0.7
152.01176	0.6
159.02962	0.5
161.04594	1.9
164.98303	0.9
165.99078	38.0
166.99866	11.6
168.00247	0.6
171.04552	0.5
178.99908	1.8
188.04816	0.8
189.02075	0.5
192.97943	0.5
193.98587	3.4
198.03249	0.5
199.04007	0.4
201.02087	0.5
206.99263	0.5
215.03535	0.6
216.04233	1.2
226.02629	0.7
227.03462	1.3
229.01440	0.6
232.03816	0.5
242.02278	0.5
243.02927	3.3
244.03656	1.2
255.03024	1.3
270.01791	1.2
271.02457	5.1
272.03006	0.7
287.02032	4.1
288.02551	1.0
308.69360	0.5
316.02237	76.7
317.02554	6.9
331.04587	100.0
332.04895	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	330.1193
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.58639	1.0
55.01865	1.0
58.71494	0.9
59.01382	11.4
60.73611	0.8
61.98830	11.0
66.81634	0.8
67.02549	0.8
68.99811	1.3
70.05763	2.6
71.01380	6.2
72.99296	1.6
73.02923	2.0
82.42838	0.9
84.53559	0.9
85.02942	3.6
86.00094	3.7
87.00870	19.9
89.02450	4.7
99.00868	1.6
101.02438	3.4
107.03757	1.0
108.02170	3.8
108.04593	1.3
113.02425	3.5
119.03503	1.3
121.05325	2.9
122.06115	40.6
123.06499	1.3
125.02354	1.0
129.01965	1.4
132.04614	0.9
133.05072	3.4
134.06111	4.7
135.03265	1.9
136.04105	1.3
136.07678	18.0
137.07982	1.9
138.05557	2.0
139.02715	1.0
146.06067	1.6
148.07651	1.2
149.04744	1.4
150.05597	100.0
151.05914	3.7
152.07172	9.1
158.50047	0.8
159.03146	1.3
161.04668	2.8
162.05574	3.6
164.07127	3.4
165.01851	1.4
168.03032	1.4
169.01353	1.0
174.05521	1.2
174.99156	2.0
175.06310	4.3
176.07162	8.8
179.05527	0.9
192.06677	1.0
193.01408	1.9
194.08212	3.2
204.06613	2.7
211.02452	2.9
222.07742	3.2
223.02582	1.0
240.96666	1.1
247.44304	0.9
252.08781	2.4
270.02530	1.7
270.06403	1.0
300.10815	1.1
312.10864	54.2
313.11249	5.4
330.05142	4.7
330.11908	36.1
331.07114	1.5
331.12277	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	330.0372
Annotation	gossypetin 8-methyl ester
Peak:m/z	Relative Intensity
51.51102	0.2
55.01857	0.4
57.03442	0.3
59.01383	2.3
61.98825	0.2
65.00323	8.7
66.00639	0.2
68.99812	0.5
69.56491	0.8
71.01381	5.5
72.99329	0.4
73.02938	1.3
82.00597	0.2
83.01376	0.8
85.02949	2.9
87.00893	0.4
89.02433	0.8
92.99813	1.5
93.03455	2.9
93.68365	0.2
95.01365	0.8
96.99312	2.1
97.02967	0.2
99.00877	0.7
101.02438	2.9
106.00610	0.3
107.01368	0.6
108.02177	0.5
108.99300	0.4
109.02955	0.8
110.00094	13.5
110.22911	0.2
111.00905	4.1
113.02459	2.2
115.05534	0.3
119.05067	0.3
120.99340	0.9
121.02949	3.7
121.71358	0.2
122.00096	0.5
123.00883	1.0
123.04480	0.3
123.94588	0.2
124.98812	0.7
125.02451	0.5
127.00311	0.2
131.05011	0.6
133.02936	0.8
134.00124	0.6
135.00911	0.4
135.04463	0.2
136.97810	0.4
136.98810	5.3
137.02466	0.2
137.99622	3.6
138.02982	0.2
139.00375	12.5
139.04016	9.9
139.04909	0.2
139.05130	0.2
139.11337	1.1
140.00708	0.4
141.99091	0.7
143.03426	0.2
143.05032	1.8
145.02962	1.0
147.00879	1.3
147.04495	0.7
148.01697	0.6
149.02441	21.9
149.99586	4.3
150.02737	1.2
151.00372	1.2
153.01930	1.1
153.03096	0.2
153.03534	0.2
155.05032	0.2
155.10814	0.2
157.02893	0.5
159.03038	0.6
159.04501	3.6
161.02454	2.0
161.04523	2.1
163.04001	0.9
164.98288	25.3
165.99066	12.4
166.99715	1.2
169.02899	0.5
171.04514	3.9
172.04836	0.2
173.02446	1.6
174.03267	0.2
175.00369	5.0
175.03995	1.5
176.00862	0.2
177.99069	3.6
178.99835	2.2
180.00667	1.7
181.01416	0.3
185.02362	0.7
186.03102	0.4
187.04004	5.9
189.01927	3.1
191.03522	1.0
191.27310	0.2
192.97766	0.5
193.98566	1.9
197.02435	0.9
198.03101	0.7
199.03995	4.7
200.04341	0.5
201.01909	1.8
201.11331	2.4
202.02562	0.3
203.03481	2.8
205.98573	2.5
206.99069	0.3
213.01906	1.6
214.02570	0.8
215.03485	6.6
216.03828	0.7
217.01347	1.4
219.02982	0.8
225.01930	1.0
226.02728	0.6
227.03488	1.2
229.01419	1.3
230.02188	0.5
231.02980	5.4
232.03438	0.5
241.01454	1.4
242.02267	1.0
243.02989	10.2
244.03261	0.7
245.00911	1.8
246.01270	0.3
247.02435	0.6
253.01338	0.3
258.01666	0.8
259.02487	4.4
260.02783	0.4
269.00839	1.2
270.01755	0.6
271.02454	3.7
272.02728	0.4
287.01974	19.8
288.02280	1.6
297.00424	0.6
301.03491	0.6
315.01453	100.0
316.01764	9.3
329.02979	0.5
330.03790	85.6
331.04160	8.7
331.07675	0.3
331.11942	0.3
331.17566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2331
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
59.01377	9.5
61.98812	1.5
71.54823	1.1
99.08148	5.5
114.62657	0.8
116.06499	0.9
122.13531	0.8
123.04528	0.8
127.07676	1.5
127.11307	1.0
129.09201	4.0
139.11295	2.3
162.75089	0.8
168.39992	0.8
169.12334	5.1
171.10248	3.6
181.12334	4.5
183.13878	1.3
193.12270	2.4
197.11789	1.0
199.13394	14.7
211.13426	10.6
212.13785	1.3
229.14404	1.3
232.92455	0.8
271.02420	4.3
271.64462	0.8
275.20065	1.0
293.21136	2.2
299.01874	3.7
311.22308	2.3
314.04227	5.6
328.27271	0.8
329.06628	3.4
329.23315	100.0
330.23679	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
58.00592	2.2
59.01380	6.5
61.99460	0.6
71.44376	0.6
72.35649	0.5
86.88425	0.6
99.08150	7.0
108.02192	0.6
111.98041	0.6
112.00180	0.5
127.07634	1.4
129.09221	6.9
169.12325	4.5
171.10251	1.7
181.12350	4.7
183.13947	1.6
193.12358	1.5
194.52736	0.6
195.31680	0.5
197.11810	2.5
199.13393	17.6
200.13852	1.1
211.13393	12.1
212.13730	1.0
229.14439	1.7
293.21249	3.3
299.02036	1.4
309.21304	0.7
311.22357	2.2
314.04337	2.4
329.06702	3.0
329.23303	100.0
330.23682	11.8
354.87595	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2331
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
57.03426	1.0
71.02870	1.6
79.52306	0.6
99.08125	5.8
115.86488	0.6
125.09699	1.5
126.27704	0.6
127.11267	3.2
139.11209	3.2
146.01367	0.6
155.10719	0.7
155.14365	1.0
157.12297	0.7
167.14323	1.3
171.10243	8.6
177.28632	0.6
183.13895	6.4
188.42322	0.8
193.12361	1.3
199.13376	0.7
209.11845	1.8
211.13379	31.8
212.13710	1.6
229.14407	17.8
230.14714	1.0
288.78806	0.7
293.21066	0.9
311.22260	1.6
329.23297	100.0
330.23621	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	329.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	31.0
60.01709	2.7
61.01797	7.0
61.98532	3.5
61.98829	34.3
65.00292	3.2
69.76537	5.7
69.76952	6.7
73.98042	2.0
76.77962	2.9
96.95953	2.5
98.20657	2.8
110.00102	10.5
116.92848	3.2
123.04499	3.0
126.90377	2.4
133.02950	4.7
136.98775	3.2
164.98291	14.4
165.99063	16.1
183.04457	4.9
199.03973	4.1
215.03474	4.2
227.03458	6.2
243.02921	4.0
255.02873	6.2
269.21234	18.1
271.02371	14.9
287.22388	3.4
299.01950	58.1
300.02103	5.0
314.04327	100.0
315.04611	8.2
329.06644	59.4
329.23013	6.9
330.06735	4.0
351.90833	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	329.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21671	1.3
59.01373	8.5
59.19718	1.3
61.98829	1.9
65.00336	1.3
70.13004	5.1
77.03967	2.0
78.95907	13.7
83.12832	1.1
93.03458	5.7
95.05009	3.7
105.03459	2.1
109.18107	1.2
110.00088	2.5
121.02979	8.5
123.04533	9.3
133.02942	2.5
136.98738	1.2
149.02431	21.1
152.99588	28.3
162.00096	1.4
163.04018	2.3
164.98300	4.4
165.99049	3.9
177.01936	100.0
178.02438	7.0
183.04578	1.9
192.04294	98.5
193.04854	8.4
197.15474	2.9
215.03514	2.3
227.03476	3.0
240.44745	1.3
255.03140	1.6
271.02411	5.3
277.21771	12.3
278.22083	2.3
299.02029	16.0
314.04297	32.7
315.04553	2.8
325.66083	1.5
329.06622	17.7
330.07144	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	329.1757
Annotation	Carnosol
Peak:m/z	Relative Intensity
51.87655	0.7
59.01382	4.4
61.98823	1.9
110.00095	1.2
123.04562	1.3
125.09766	1.1
133.02943	1.6
136.98845	0.7
137.09668	1.2
140.68059	0.7
160.05296	34.7
161.05687	2.1
164.98271	3.1
165.84238	0.7
165.99054	3.1
173.06073	2.5
183.04544	1.6
187.04002	0.7
192.04286	23.2
193.04561	1.3
199.07663	3.3
200.08353	1.2
201.05559	2.0
215.03519	1.3
227.03529	1.9
243.02910	1.1
250.48994	0.7
255.03072	1.3
255.13896	3.4
271.02374	4.6
286.04443	1.0
297.14929	7.0
298.15286	0.9
299.01962	11.8
314.04312	22.4
315.04559	2.6
329.06711	13.2
329.17557	100.0
330.06949	1.3
330.17926	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	329.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87302	0.9
59.01368	2.8
61.98815	1.1
78.95910	4.9
79.08941	0.8
93.03436	1.6
95.01385	2.2
97.17606	0.9
109.02945	2.0
110.00007	0.8
119.05025	31.5
121.02957	7.4
123.00881	1.3
123.04527	1.6
127.87696	1.0
132.02176	9.3
133.02985	10.8
134.03806	1.6
136.01665	48.6
137.02472	12.0
147.03365	2.0
147.04524	35.3
148.05029	2.2
149.06003	1.3
151.04018	5.6
152.99548	10.0
153.05580	35.3
154.05894	1.2
163.03993	3.6
164.01118	0.9
164.04761	4.4
164.98247	1.0
165.99016	1.6
179.03455	1.5
187.50053	0.9
192.04283	100.0
193.04608	6.0
211.01793	0.9
270.16196	2.0
271.02350	2.5
277.21631	4.0
278.21777	1.0
285.18585	2.1
299.02008	6.1
314.04309	10.8
315.04651	1.2
321.22391	0.9
329.06686	8.5
329.17584	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	329.1759
Annotation	Carnosol
Peak:m/z	Relative Intensity
57.81295	0.5
59.01385	1.7
61.98842	0.7
66.68128	0.5
70.17930	1.1
70.86677	0.4
78.95917	1.6
95.05044	0.8
99.32944	0.5
105.03461	4.9
110.00111	0.6
113.92811	0.5
123.04556	0.9
133.02959	47.1
134.03685	2.9
137.02460	2.1
139.04025	0.8
149.02451	0.5
151.03993	0.9
152.99628	3.4
160.01712	1.9
161.02512	0.6
164.98372	0.9
165.99060	1.3
175.04028	1.5
176.44771	0.6
177.01918	12.2
178.02686	2.5
193.05038	1.2
215.03491	0.6
227.03438	0.7
271.02509	1.0
279.23294	1.7
289.49664	0.5
299.01923	5.3
312.81229	0.5
314.04391	8.5
314.15228	76.8
315.04575	0.8
315.15546	10.3
329.06808	4.3
329.17563	100.0
330.17920	11.6
345.62735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03234	0.6
57.83425	0.6
59.01376	3.8
60.52477	0.6
61.98827	1.1
69.19923	6.7
71.01379	28.2
72.01724	0.7
115.00382	7.9
118.35579	0.6
133.01427	1.3
140.82736	0.7
145.02971	0.8
160.83876	0.6
173.02422	0.8
174.03186	3.4
175.03935	3.4
183.13884	9.9
184.14261	0.7
190.65260	0.6
195.13916	9.5
196.14230	1.0
206.02148	2.7
213.14948	100.0
214.15298	7.6
231.05304	0.8
241.09042	0.8
314.04379	0.8
329.06201	0.7
329.10349	1.3
329.13849	8.2
329.23181	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	329.1759
Annotation	t-Cajucarin B
Peak:m/z	Relative Intensity
55.01868	13.6
56.10724	4.2
59.01385	33.8
59.98487	5.4
61.98820	4.5
71.54807	7.6
83.05035	7.7
87.04507	6.7
90.51511	3.9
107.71188	4.3
113.06089	87.1
116.92924	5.1
120.05791	7.5
121.06596	58.9
123.08149	5.7
130.04242	40.6
135.08185	58.5
137.26773	4.5
139.11290	6.6
143.05008	10.6
144.05800	15.5
145.06599	42.3
153.09203	7.1
156.05788	6.2
157.06517	8.1
162.06841	13.2
171.10239	11.1
176.04883	5.8
185.09656	15.2
194.05824	11.1
197.09634	8.3
215.10703	8.4
221.09454	5.6
221.15526	5.5
223.11157	5.6
229.14445	21.1
241.15985	29.0
253.15919	8.8
267.13919	59.8
268.14124	5.8
269.15533	12.1
270.15958	4.4
275.54135	4.4
279.13907	17.9
297.14932	75.9
298.15237	10.1
299.01883	8.9
314.04218	12.5
315.15988	6.3
329.06726	7.6
329.13889	7.3
329.17606	100.0
329.23318	36.3
330.17929	11.0
331.87292	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	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60094	0.7
58.14074	0.7
59.01382	100.0
60.01713	1.2
71.01382	5.3
73.02953	2.4
83.01376	1.0
85.02933	3.7
95.01379	0.9
96.96006	6.4
98.20676	1.5
99.45554	0.9
101.02438	4.8
108.02177	0.8
108.34710	0.8
109.03008	1.1
113.02460	2.1
119.03529	1.1
121.02940	2.3
123.04537	5.0
125.02414	0.9
137.02461	1.8
149.02426	1.0
159.03070	1.3
161.04582	4.1
166.02763	1.9
167.03496	4.9
168.03001	1.4
179.46735	0.8
186.58115	0.8
200.66586	0.8
209.04396	1.1
269.10211	4.9
314.07889	1.1
329.09018	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	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89140	0.3
55.03784	0.3
56.98817	0.4
57.03448	0.4
59.01380	100.0
60.01728	1.1
65.00327	0.4
67.01886	0.3
68.53241	0.3
69.03473	0.5
69.59303	1.5
69.59727	1.1
71.01386	5.6
72.99313	0.7
73.02946	2.6
75.00852	0.6
81.03455	3.2
83.01381	2.6
85.02959	2.7
87.00864	0.4
89.02454	0.4
91.01894	0.6
93.03468	0.4
94.91240	0.3
95.01391	0.7
95.05045	1.1
96.96013	0.7
97.02925	0.9
99.00908	0.9
99.04530	0.8
101.02459	3.6
102.98631	0.7
108.02164	0.6
113.02448	2.0
113.86049	0.4
121.02969	0.6
123.04528	25.8
124.04876	1.0
125.02463	3.4
135.04468	0.7
137.02455	0.9
137.06107	0.4
137.70039	0.4
139.04016	0.9
143.03529	0.4
149.02415	1.0
151.00388	1.1
151.04071	0.7
152.01138	0.4
153.05424	0.4
159.03043	0.7
159.04283	0.4
161.04541	4.6
163.04005	0.9
166.02777	0.4
167.03496	71.9
168.03819	4.1
172.94650	0.4
175.00378	0.9
179.03453	0.8
179.05638	0.5
180.04257	0.6
181.05095	2.3
181.08678	0.6
191.03510	16.7
192.03828	0.7
199.08000	0.5
209.04564	8.2
210.04883	0.7
217.55910	0.4
221.04509	1.7
222.26839	0.3
239.05664	0.6
269.10242	4.4
270.10550	0.5
329.08868	6.0
329.12329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92483	0.6
57.03432	0.5
59.01377	100.0
60.01715	0.8
69.45740	4.4
71.01395	4.0
72.77711	0.7
73.02948	1.3
74.10307	0.6
77.97887	0.7
83.01430	0.7
85.02953	2.0
89.02443	0.8
98.95607	1.5
99.00868	0.9
101.02413	3.6
113.02464	2.2
120.04230	0.7
121.02983	0.8
159.03011	0.7
161.04585	3.5
167.03496	9.2
186.91373	0.6
269.10242	4.7
293.82666	0.7
329.07123	0.9
330.07904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38840	12.2
69.39176	2.2
69.44458	1.4
71.01377	6.5
73.02940	4.2
82.27044	1.7
87.00880	2.3
89.02451	26.0
106.56309	1.6
131.03499	5.0
132.43585	1.5
149.04555	100.0
150.04872	2.8
150.79810	1.3
251.02130	1.5
293.62476	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1141
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
50.34610	1.4
50.92185	1.1
56.19611	1.3
58.94551	1.2
59.01380	11.8
59.99627	1.3
62.03393	1.4
69.55191	6.9
69.55618	2.0
80.27838	1.2
82.02980	9.8
87.31206	1.3
89.73450	1.2
99.00832	1.5
106.06636	9.3
107.05009	2.5
108.04464	1.4
122.06137	1.7
132.04559	27.5
133.05365	3.1
134.06116	37.6
135.06403	1.4
136.04062	3.6
137.16371	1.3
148.04034	1.9
149.04819	2.6
160.04039	19.5
161.04819	37.6
162.05600	81.5
163.05963	5.1
173.02213	1.4
175.43330	1.4
176.03522	5.1
179.03499	1.5
193.03793	51.6
194.04285	3.0
212.07187	4.3
213.07869	2.8
214.08717	5.4
229.87410	1.2
241.06099	5.6
242.11792	5.6
243.11418	4.1
243.15813	1.4
257.09283	9.0
268.09766	4.8
269.09320	7.7
282.42935	1.3
285.03598	2.2
285.12430	78.6
286.12796	7.4
299.08228	1.7
311.10345	12.0
314.04178	1.5
314.10638	1.6
329.11374	100.0
330.11700	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	329.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
59.01376	1.5
68.96992	0.9
69.99319	1.5
69.99718	2.9
71.01359	1.0
80.02662	1.0
81.03459	11.6
83.01376	7.8
95.05028	16.1
97.02954	3.6
99.04557	4.4
111.04473	0.8
113.02460	1.1
121.02955	1.4
122.03719	2.7
123.04532	20.7
124.04852	1.1
125.02456	20.8
137.02432	4.3
137.05127	1.2
137.06090	17.8
138.06430	1.1
139.03999	3.4
141.05547	1.8
149.06053	1.2
155.03487	0.9
163.00357	2.1
165.05624	4.5
167.03502	47.7
168.03821	2.2
179.03549	8.1
181.04980	2.5
193.04970	1.8
197.04453	2.2
206.02214	1.4
209.04547	100.0
210.04849	2.4
221.04541	3.2
239.05605	23.2
251.05573	1.0
329.08746	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	329.0876
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03455	1.9
57.90323	0.8
58.99609	1.1
59.01377	8.6
65.56775	0.8
67.01882	1.5
69.21561	9.0
71.01387	3.5
73.02966	1.6
74.02476	1.8
81.03457	5.7
82.52507	0.8
83.01379	5.0
85.02960	9.3
86.03291	1.2
87.03381	1.1
93.03465	3.1
95.05041	10.9
96.75171	1.0
97.02964	3.7
99.04523	3.7
101.02447	2.0
102.98600	4.0
107.04995	0.9
108.02200	1.9
109.02879	1.0
111.00861	2.9
111.04508	1.2
113.02457	1.6
117.95376	0.8
119.05027	1.0
121.02949	3.1
121.06619	1.4
122.03768	2.0
123.04533	23.9
124.01662	1.0
124.04882	1.0
125.02444	14.6
129.01939	1.8
130.08800	1.2
135.00865	1.9
137.02409	4.1
137.06088	12.9
139.04012	2.4
152.01184	5.1
155.03548	0.9
163.03947	1.4
165.05600	15.9
166.05885	7.2
167.03499	100.0
167.06062	8.4
168.03833	4.4
170.02710	1.0
177.05603	0.9
178.91582	0.9
179.03487	6.6
181.05060	3.4
184.01982	2.9
185.02095	0.9
191.05467	0.8
193.05019	1.3
197.04538	1.6
199.04382	3.2
206.02147	0.8
209.04550	89.3
210.04884	5.2
211.09659	0.9
221.04535	2.4
228.23866	1.0
239.05608	22.1
240.06088	1.4
269.06564	1.2
293.12451	1.3
300.15689	1.4
311.07788	1.4
329.08759	21.7
329.11969	1.4
329.16199	1.0
330.08902	1.4
330.16718	1.5
348.99057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.9
66.09966	0.4
68.15522	0.4
70.80660	0.7
70.81005	0.6
71.01385	1.2
73.02927	0.5
79.05534	8.3
81.03465	5.6
85.02981	0.8
99.00832	0.4
105.03455	3.2
108.02183	0.6
108.42068	0.4
111.58974	0.4
113.02475	0.9
123.04533	100.0
124.04845	4.0
125.02505	0.9
145.96269	0.5
149.02448	20.3
150.02740	0.6
166.02663	0.8
167.03503	15.5
168.03796	0.9
188.80045	0.4
191.03418	0.5
209.04607	1.2
252.04858	0.4
329.08777	65.0
330.09122	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	329.0877
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
57.36585	0.5
59.01385	0.6
67.37974	0.5
71.01361	2.1
71.01702	1.0
73.02947	0.7
75.60012	0.6
79.05537	7.9
81.03465	5.7
83.01364	0.5
84.09472	0.4
85.02953	4.3
89.57220	0.5
92.34393	0.5
97.23568	0.5
101.02418	1.2
105.03454	2.1
108.02177	2.4
111.23633	0.5
113.02399	1.2
122.03706	2.7
123.04523	100.0
124.04836	3.4
125.02444	1.9
149.02431	18.9
150.02814	0.8
152.01184	0.9
161.04626	0.7
165.05547	1.1
166.02812	0.8
167.03490	24.6
168.03815	1.1
182.07335	0.5
183.86578	0.6
194.19717	0.6
208.23607	0.5
209.02994	0.7
209.04657	0.8
281.82193	0.6
329.08759	75.1
330.09140	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03458	1.0
59.01385	100.0
59.16734	0.8
60.01721	1.2
62.62017	0.9
69.85999	1.8
69.86417	2.0
71.01393	5.9
73.02965	1.5
75.00889	1.2
78.13760	0.7
81.03479	3.5
83.01402	3.6
85.02960	2.0
91.01916	1.1
93.03480	1.1
95.05064	2.0
98.19942	0.9
99.04525	0.9
101.02447	4.3
108.02194	1.0
113.02469	1.6
119.05075	1.0
123.04536	36.4
124.04821	1.4
125.02442	4.3
135.04523	1.1
139.04024	1.4
149.02432	0.7
149.44135	0.7
151.00345	0.9
151.04010	1.1
152.01154	0.9
161.04523	4.7
166.05688	0.8
167.03503	92.0
168.03822	4.3
179.03534	1.8
179.05730	1.0
181.05098	2.8
184.61139	0.8
191.03522	22.1
191.05167	1.4
192.03931	1.5
209.04555	9.7
221.04562	2.8
239.05598	1.0
269.10336	5.1
273.18353	0.8
297.41922	0.8
329.08896	7.3
329.11938	0.7
330.09210	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0879
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01859	0.7
57.03446	0.7
59.01384	2.7
61.98832	1.1
62.18893	0.5
69.44656	2.1
69.45068	1.5
71.01383	9.8
73.02943	3.2
79.05534	2.2
81.03474	1.8
83.01398	1.6
85.02956	8.6
89.02462	1.3
89.36746	0.5
95.01379	0.7
96.31752	0.6
97.02975	0.6
99.00898	1.4
99.04548	0.6
101.02449	7.4
108.02164	2.7
109.02963	1.9
113.02451	5.1
121.02952	1.9
122.03747	100.0
123.04552	48.0
124.04858	2.6
125.02444	2.7
129.01968	0.9
135.04526	1.4
137.02455	1.8
137.06052	1.3
143.03516	1.1
147.04590	0.8
149.02446	6.9
149.06108	0.6
150.05615	0.7
152.01134	0.9
159.02954	1.5
161.04558	14.1
165.05551	6.8
166.02812	0.7
167.03500	10.6
168.03854	0.6
175.28519	0.6
177.05571	2.4
185.70526	0.5
191.01958	1.0
209.02945	1.3
272.56174	0.6
283.53897	0.6
285.09879	2.5
329.04834	1.4
329.08783	27.3
330.09152	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03424	1.7
58.00574	2.4
59.01379	81.9
66.63384	1.2
67.01884	1.6
70.80963	2.3
71.01379	38.1
72.99277	2.1
73.02923	1.9
78.20456	1.2
83.01404	2.5
85.02946	9.2
87.00900	1.7
87.27075	1.1
89.02443	36.3
90.02776	1.4
91.01908	2.2
93.99853	1.1
95.01366	6.3
101.02444	19.7
107.01393	1.7
108.02169	4.9
109.02935	2.6
110.22050	1.0
111.00903	1.3
113.02453	15.8
113.03169	2.2
113.70730	1.1
119.03511	13.6
123.00872	3.1
123.04539	13.3
136.01727	1.2
136.26897	1.1
137.00385	1.1
150.03181	2.2
151.00359	4.7
151.03981	2.1
152.01132	9.1
160.36758	1.1
165.01961	1.3
165.05583	1.2
166.02658	6.8
167.03494	72.9
174.50073	1.2
181.05072	14.4
182.05470	1.7
194.02170	3.8
209.04546	42.3
210.04842	2.8
227.14624	1.1
232.75378	1.2
239.05501	4.2
269.06723	9.2
293.12448	2.4
314.06396	1.6
329.08771	100.0
330.09219	7.7
354.77338	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0879
Annotation	32142-31-7
Peak:m/z	Relative Intensity
54.72937	0.3
57.03444	0.9
59.01383	0.8
65.00314	0.5
66.23495	0.3
69.89098	0.4
70.28786	1.3
74.10600	0.3
80.23422	0.3
81.03464	4.3
83.01382	2.6
95.05019	1.0
98.08579	0.3
114.22824	0.4
123.04534	31.2
124.04852	1.1
125.02458	5.8
149.02422	0.9
151.00430	1.6
154.60770	0.4
163.03946	0.8
167.03500	100.0
168.03810	4.5
180.82909	0.3
191.03531	1.0
197.04567	0.5
209.04585	0.9
220.85934	0.4
228.39658	0.4
300.81323	0.3
329.08698	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24119	0.6
59.01355	0.9
69.21468	4.5
71.01380	1.6
79.05525	2.6
81.03470	2.3
85.02962	1.3
87.47051	0.5
96.24053	0.5
101.02415	0.9
105.03444	0.9
108.02177	44.5
109.02495	1.4
123.04526	54.2
124.04852	2.0
125.02438	1.5
132.26588	0.6
135.04494	1.0
145.71718	0.6
149.02428	6.5
149.04515	0.9
152.01151	29.9
153.01479	1.1
167.03494	100.0
168.03848	5.2
170.78897	0.6
199.66673	0.5
209.04570	1.4
219.29135	0.5
234.89001	0.6
281.19754	0.8
329.08777	24.0
330.09186	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	329.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95653	0.3
57.03447	0.7
57.76378	0.3
59.01380	2.2
65.00337	0.5
65.00694	0.2
69.03463	0.3
69.39941	0.7
69.40358	1.6
71.01387	0.5
73.81589	0.3
81.03460	4.1
83.01384	2.6
85.02939	0.3
89.02434	1.6
90.01273	0.3
95.01377	0.4
95.05040	0.9
99.40469	0.3
107.01358	0.6
113.02448	0.3
115.67545	0.3
121.03008	0.3
123.04532	30.8
124.04846	1.4
125.02445	5.2
132.06966	0.2
149.02379	0.7
151.00290	1.5
161.04546	2.0
163.04001	0.4
167.03499	100.0
167.91116	0.3
168.03824	4.2
191.03502	0.6
191.40834	0.3
195.06897	0.3
197.04497	0.5
203.49742	0.3
209.04567	1.0
233.76045	0.3
272.10754	0.3
329.08798	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.0
59.05573	0.9
61.98830	100.0
70.59753	2.3
71.01383	4.7
71.46321	0.8
82.20390	1.1
85.02941	1.4
85.04530	0.8
86.51040	0.9
89.02453	2.1
93.03456	0.8
95.11546	0.9
99.29127	1.0
101.02441	2.6
108.02164	5.3
108.19588	1.2
108.26215	0.9
113.02452	1.6
121.02953	1.3
122.03728	6.5
123.00906	2.3
123.04519	5.7
124.04020	1.1
150.05634	2.5
152.01195	4.5
161.04555	1.0
167.03500	10.2
173.23785	1.0
176.07240	1.0
207.20172	1.1
209.04527	1.6
242.95708	1.0
329.08835	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	329.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92572	0.2
59.01374	1.9
61.06508	0.2
70.54665	0.8
71.01377	0.7
71.64639	0.2
78.91885	0.5
83.01381	0.4
85.41084	0.2
93.03468	1.1
95.01385	0.7
101.02440	0.3
108.02132	1.1
111.00885	2.1
113.02425	0.4
119.05032	0.3
119.52785	0.2
121.02957	0.9
123.00871	0.9
123.04491	0.3
124.01665	1.9
135.04544	0.3
139.00397	0.4
149.05966	0.2
151.00294	0.4
152.01154	6.9
153.00211	0.3
153.01436	0.4
153.05542	0.8
154.00929	1.7
166.02708	0.8
167.03488	100.0
168.03845	4.4
184.01968	7.7
185.02263	0.4
191.05673	0.2
197.04558	1.8
199.04333	5.5
200.04597	0.6
242.11856	0.3
271.08258	0.3
286.10779	0.9
314.04257	0.3
329.08798	7.7
329.11880	0.4
330.09546	1.6
333.51779	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66520	0.5
55.86534	0.5
65.00271	2.0
71.16879	0.8
78.14784	0.5
110.00117	7.9
123.04570	4.3
133.02045	0.7
133.02950	7.5
136.98735	2.0
137.99518	1.9
138.00542	0.6
143.05043	1.1
149.99529	0.8
151.00275	0.8
155.04971	2.5
164.98309	11.1
165.99089	11.9
171.04446	2.1
173.02377	1.0
177.99048	1.6
178.99837	0.9
183.04523	4.4
199.04019	4.7
203.03386	1.0
205.98506	1.2
215.03528	6.0
216.04053	1.2
226.02634	0.7
227.03540	6.4
243.02997	5.9
244.03247	0.8
254.02197	0.9
255.03032	3.9
269.04535	1.7
270.01578	0.8
271.02487	45.5
272.02853	3.6
285.03903	0.9
299.01987	55.5
300.02353	5.2
314.04333	100.0
315.04626	7.9
329.06677	43.4
330.06982	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	329.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31234	0.8
56.03837	1.1
59.01385	4.2
69.90845	0.9
71.01387	8.2
72.99309	1.0
73.02958	5.1
85.02961	2.4
87.00874	3.5
89.02447	27.4
101.02447	3.3
102.98580	1.9
103.04008	1.2
108.02176	20.5
113.02448	2.2
120.20472	1.0
122.03740	29.5
123.04532	27.4
124.04859	1.1
131.03491	6.3
149.04555	100.0
150.04852	3.3
152.01164	12.0
161.04587	2.8
161.08229	1.0
165.05569	1.7
167.03487	42.5
168.03795	2.0
191.05489	1.0
209.04704	1.1
225.24663	1.3
262.03723	1.0
285.09698	1.8
322.01910	0.9
329.08746	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	329.0667
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
52.41433	0.6
54.51884	0.7
57.03483	0.7
59.01381	5.4
60.00583	0.7
61.98881	0.8
65.00380	3.8
72.26342	0.6
72.30077	0.6
76.04062	0.7
98.20693	1.2
102.98669	1.9
110.00101	4.3
114.76536	0.6
115.07690	1.1
121.03076	0.7
122.67055	0.6
123.04591	2.7
125.02505	1.1
125.09779	1.4
127.11211	1.0
133.02974	5.1
135.00867	0.7
136.98833	3.9
137.99651	1.1
147.04509	0.7
149.02470	1.4
155.05040	0.8
161.02470	0.9
164.98267	7.8
165.99055	7.4
167.03528	0.9
171.04588	2.5
171.10342	2.3
173.02466	1.5
175.00383	1.0
177.99081	1.3
183.04546	3.2
185.02605	1.1
187.04039	1.4
199.03979	5.1
199.08035	0.9
201.02022	2.1
201.11363	3.6
203.03482	0.9
209.04564	1.2
211.13470	1.6
215.03456	3.5
216.04262	1.0
227.03529	5.0
229.01245	1.5
242.02328	1.1
243.02921	3.9
255.02972	2.6
267.94937	0.8
271.02466	37.1
272.02832	2.7
278.70377	0.7
284.03329	1.0
285.04083	1.9
286.01138	1.0
286.04550	0.9
287.01859	1.6
299.01965	59.9
300.02225	4.9
311.22198	0.9
313.03653	3.4
314.04315	100.0
315.01389	4.5
315.04669	9.6
329.06641	66.6
329.13947	2.2
329.23306	15.1
330.03662	2.4
330.07007	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	329.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78007	0.6
59.01390	6.0
61.98812	1.0
63.71209	0.7
65.00316	5.1
69.21329	0.7
71.11158	1.4
83.01386	0.9
93.70612	0.7
99.08157	1.1
107.01376	1.6
108.02180	1.0
110.00092	5.6
116.48412	0.7
117.25928	0.7
123.04543	1.2
125.02459	1.1
125.09610	0.8
134.00079	1.1
136.98759	2.2
137.99548	1.2
145.02910	0.8
146.03708	0.8
148.01668	3.5
149.99593	1.8
151.00354	2.9
153.05588	2.0
158.03734	1.5
161.02452	1.4
162.08963	0.7
163.03989	2.7
164.98283	6.1
165.99106	5.6
169.02974	1.0
170.03741	3.7
172.01707	4.5
173.02393	1.2
174.03226	4.0
177.99110	0.9
183.04465	1.0
185.02408	1.2
186.03174	1.5
198.03178	2.3
199.03923	0.9
199.13396	2.4
201.01979	3.3
202.02727	9.0
203.03357	0.8
206.02211	1.7
209.04613	1.4
213.01897	2.8
214.02647	3.8
215.03438	1.9
227.03505	1.7
229.01385	2.4
229.04962	1.1
230.02161	6.8
242.02219	4.2
243.03046	3.7
255.02942	2.0
257.00861	2.1
258.01675	12.5
259.01929	1.1
270.01703	1.6
271.02475	57.3
272.02875	4.0
283.02194	0.9
284.03192	1.1
285.00732	1.3
285.03998	15.7
286.01218	16.4
286.04245	1.2
287.01471	1.0
297.03925	1.0
299.01959	56.9
300.02371	5.2
301.03473	1.4
313.03528	29.8
314.00653	12.0
314.04263	53.4
315.01154	1.7
315.04663	5.8
329.02933	38.9
329.06641	100.0
329.13852	8.8
329.23273	13.0
330.03262	2.8
330.06976	9.3
330.13727	0.7
330.23642	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
60.72344	0.2
65.00322	2.8
71.55254	0.4
85.02972	0.5
92.99847	0.5
95.05034	0.3
96.99317	0.4
110.00089	7.1
117.74702	0.3
120.99284	0.4
123.04526	5.2
127.60913	0.3
133.02953	7.5
133.03908	0.5
134.03333	0.4
136.98811	3.1
137.99585	2.5
139.00291	0.3
141.99091	0.4
143.05086	0.4
145.02934	0.3
149.99617	1.3
151.00349	0.6
155.05049	1.7
159.04533	0.8
164.98282	13.3
165.99071	11.2
166.99504	0.4
167.03433	0.4
171.04535	1.8
173.02461	2.2
177.99069	1.9
178.99855	1.1
183.04503	5.3
184.04764	0.4
185.02484	0.4
187.03992	0.8
199.03955	3.6
200.04436	0.4
201.01923	0.9
202.02649	0.4
203.03488	0.4
205.98564	1.0
209.04613	0.5
211.03940	0.4
215.03488	4.7
216.04176	0.9
220.25768	0.3
226.02716	1.0
227.03491	5.3
227.64372	0.3
228.00659	0.4
228.03772	0.3
229.01413	1.0
230.05997	0.4
241.05136	0.3
242.02235	0.6
243.02977	3.6
244.03508	0.3
253.01466	0.4
254.02142	0.9
255.02960	5.2
256.03275	0.6
257.04663	0.5
269.04483	1.0
271.02472	16.9
272.02798	1.6
285.04004	0.8
299.01962	50.2
300.02304	4.5
313.03522	0.8
314.04312	100.0
315.01526	0.4
315.04648	9.7
329.06641	33.9
330.03555	0.6
330.06998	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	329.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97998	0.5
59.01361	1.6
60.59546	0.5
61.88301	0.4
62.50178	0.4
63.02394	0.5
65.00323	0.7
72.75560	0.4
80.44324	0.4
83.01402	0.7
107.01418	0.8
123.49441	0.4
144.86342	0.4
151.00362	2.7
155.08986	0.5
159.04428	0.5
161.02458	1.0
167.03522	0.5
187.04031	0.7
190.76216	0.5
194.08192	0.5
199.03923	0.7
199.07936	0.8
203.03444	0.7
214.46078	0.4
215.03769	0.5
227.03450	1.9
229.05196	0.7
231.02968	0.6
243.03021	3.7
244.03491	0.6
255.02988	1.0
271.02466	58.3
272.02774	5.7
283.02588	1.2
284.03253	1.2
285.04034	15.9
286.04306	1.2
297.03964	0.9
299.01962	58.6
300.02271	5.9
311.02032	1.2
312.99731	0.6
313.03537	32.6
314.04291	45.2
315.04700	3.9
329.06650	100.0
330.07001	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	329.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36892	1.0
59.01162	0.8
59.01383	9.4
61.98826	1.5
65.00320	5.2
71.54124	1.1
85.17619	0.9
86.57423	1.2
93.03457	3.9
95.04973	1.2
95.38955	1.0
96.99304	1.6
110.00092	3.9
123.04566	5.4
133.02975	4.0
136.98776	6.5
137.99628	1.1
151.00404	1.0
153.01923	1.5
159.04556	1.0
160.98737	1.0
164.98302	76.8
165.99040	6.1
167.03514	1.8
169.12375	1.5
171.04510	2.9
171.10329	1.8
173.02448	1.1
177.01898	1.9
177.56918	0.9
177.99051	1.3
180.00647	46.0
181.01164	2.9
182.26172	1.1
183.04547	5.0
193.01404	1.2
195.02997	19.4
199.03972	2.9
199.13481	1.4
202.02672	1.3
211.13448	1.9
215.03523	2.0
227.03471	6.4
243.02969	4.1
255.03061	6.6
270.05325	2.1
271.02512	16.2
272.02859	1.8
285.03934	1.4
286.01453	1.7
286.04776	12.1
299.01974	58.6
300.02295	6.3
301.07196	15.1
313.03568	1.4
314.04330	39.1
315.04724	2.9
329.06671	100.0
329.19891	3.3
329.23398	22.4
330.06937	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	329.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97211	0.7
65.00331	2.1
69.87833	2.8
95.44542	0.6
98.19934	0.6
110.00096	5.4
123.04548	2.7
126.15047	0.6
133.02971	5.2
136.98817	2.5
137.99516	1.2
149.99699	0.6
164.98297	8.2
165.99103	7.2
171.04514	1.3
173.02440	1.6
177.99146	1.4
183.04562	3.4
196.41409	0.6
198.11325	0.7
199.03984	2.1
205.98605	1.2
206.11703	0.6
215.03545	2.5
216.04156	0.8
223.04373	0.6
226.02664	0.9
227.03448	5.4
229.01469	0.9
242.02293	0.6
243.03050	3.5
255.02933	4.0
257.04453	0.8
258.05515	0.6
271.02524	7.6
299.01978	42.2
300.02335	2.6
314.04333	100.0
315.04684	11.2
329.06674	86.7
330.06982	10.9
341.54993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98824	1.3
78.95904	2.8
83.05049	1.0
88.73516	0.8
108.03156	0.7
152.99576	5.4
185.02078	0.6
268.22870	1.5
277.21729	2.4
307.08701	0.8
314.04474	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	329.0301
Annotation	3,3'-di-O-Methylellagic acid
Peak:m/z	Relative Intensity
52.09772	0.9
59.01383	4.9
61.98822	1.6
65.00325	4.3
69.22453	9.0
71.04796	0.8
73.25052	1.0
92.54479	1.2
94.90453	0.9
99.08164	2.9
108.02187	1.8
110.00083	3.6
120.99271	1.1
123.04442	1.5
125.02400	1.4
129.09193	3.0
133.02948	1.6
134.00047	1.7
137.73639	1.0
137.99614	1.2
144.02188	1.1
145.02946	4.1
146.03717	2.3
148.01637	3.6
148.98825	3.1
149.99568	3.9
151.00356	1.0
157.02913	2.3
158.03723	5.6
161.02446	2.6
163.04015	1.3
164.98265	3.8
165.99059	2.8
167.03607	1.0
169.02943	2.0
169.12285	1.4
170.03726	13.5
172.01671	19.7
173.02354	3.6
174.03207	19.0
175.03587	1.1
176.98264	1.9
181.12346	1.2
183.13853	1.1
185.02419	4.3
186.03224	5.8
187.03947	1.0
189.01938	2.8
193.12404	1.1
193.96449	0.9
197.02408	1.6
198.03224	5.0
198.12169	1.2
199.13409	6.2
201.01906	8.4
202.02721	30.1
203.03145	2.2
204.97774	1.1
206.02156	7.4
211.13374	3.6
213.01955	7.6
214.02708	14.1
215.03358	2.3
216.00592	2.0
227.03455	1.6
229.01430	6.9
230.02177	18.6
231.02708	1.4
241.01439	4.3
242.02168	11.9
243.02808	2.3
244.00157	1.2
255.03149	1.3
257.00931	9.1
258.01675	45.6
259.01990	3.1
269.01074	1.6
270.01730	2.4
271.02469	23.5
272.02792	2.0
285.00375	4.6
285.04080	5.8
285.14813	2.1
286.01184	64.0
287.01514	4.3
297.00323	1.3
299.01938	30.5
300.02319	3.5
301.03519	5.6
311.02020	1.0
311.12961	2.4
311.22284	1.1
312.99826	2.9
313.03537	13.1
314.00644	53.1
314.04300	28.0
315.01025	5.3
315.04730	2.7
329.02960	100.0
329.06677	48.7
329.13864	37.1
329.23279	41.0
330.03302	10.5
330.06976	4.5
330.14258	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	327.2539
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
51.48441	1.4
59.01369	8.6
61.98833	2.9
64.31623	1.5
70.95823	3.5
83.05033	4.7
89.02424	2.6
90.46835	1.7
91.04016	4.0
96.67972	1.5
109.34013	1.7
121.02927	2.0
184.01546	2.4
185.00682	7.9
235.20651	31.2
236.20833	2.4
253.21721	100.0
254.22095	12.3
271.86905	1.7
272.69281	1.6
327.04999	2.7
327.18362	30.1
328.18585	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	328.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82215	1.1
59.01376	9.2
61.98822	5.3
69.50020	8.9
71.22243	1.4
82.86533	1.5
83.26472	1.3
84.04552	4.4
85.02907	1.2
97.73767	1.1
98.19946	2.3
100.04063	1.9
102.05609	84.6
103.05939	2.0
115.92065	1.6
128.03537	92.8
129.03862	2.8
131.13483	1.2
146.04576	16.4
181.16010	1.6
198.18544	6.0
199.17044	55.4
200.17384	6.1
211.47488	1.3
238.21677	4.0
240.23334	16.4
266.21271	3.1
284.22354	15.7
285.22461	1.6
304.54343	1.3
310.20264	14.4
311.20581	2.1
314.04315	2.7
328.21286	100.0
329.21475	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	327.2176
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.24455	0.4
57.03427	0.9
58.65400	0.4
59.01362	0.6
63.20050	0.4
63.61744	0.4
68.22987	0.5
69.03450	0.9
69.63210	2.8
71.01347	0.6
79.04742	0.4
83.05034	1.2
85.02946	4.4
95.05023	0.7
97.06586	4.4
102.89101	0.4
125.09711	0.6
127.11275	1.6
127.85429	0.4
130.68607	0.5
137.09708	0.8
155.10767	0.7
165.12791	0.9
167.14426	0.9
171.10249	9.3
172.10492	0.5
175.11148	0.6
177.12831	0.8
183.13914	3.4
185.11778	1.2
193.12352	1.3
197.11832	0.5
209.11813	1.8
211.13390	20.9
212.13744	1.5
221.11772	2.9
229.12318	0.9
229.14441	11.9
230.14771	0.8
239.12886	1.9
247.20796	0.5
252.56696	0.5
271.98563	0.4
291.19730	2.6
309.20697	1.0
327.21750	100.0
328.22131	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03440	1.0
58.00586	1.9
59.01362	2.6
69.55800	0.5
70.87164	1.1
83.05035	0.7
87.68189	0.6
97.06579	2.2
103.76485	0.5
107.59004	0.5
111.08156	8.7
127.07601	0.9
143.80099	0.6
151.11298	0.6
153.12901	1.0
169.12350	4.5
171.10229	0.7
181.12344	1.7
185.11845	1.9
195.14070	0.7
197.11823	41.2
198.12222	2.7
199.13387	6.7
209.11832	1.1
211.13403	5.9
221.11830	1.1
227.12849	1.1
229.14514	1.3
239.12901	0.7
239.16508	3.8
291.16620	0.5
291.19485	2.6
309.20621	2.2
327.21738	100.0
328.22095	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	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39532	4.7
57.03432	5.6
57.91982	5.0
59.01368	15.9
59.12932	4.6
59.28990	5.5
61.98825	8.2
68.05272	4.8
71.01373	8.3
71.08862	10.3
80.02670	12.6
83.05037	28.2
84.02146	12.2
84.54328	5.4
85.02956	7.5
97.06600	11.1
111.24600	4.8
121.02925	8.8
125.09695	9.6
127.11297	9.8
129.05592	6.5
133.02950	6.2
137.09732	100.0
151.11179	5.4
153.09204	7.7
155.10776	34.1
167.10779	8.9
171.10292	72.8
193.12332	11.2
247.20659	6.3
291.19662	47.9
309.20251	5.8
327.04996	12.3
327.08719	7.7
327.21310	7.6
339.77234	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	327.2174
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
58.00572	1.0
59.01375	0.9
61.92181	0.5
81.81002	0.4
97.06592	2.2
98.19805	0.8
101.78378	0.4
109.02962	0.5
124.01739	0.6
153.12849	1.3
155.14429	3.5
156.14722	0.5
163.04018	1.3
165.12732	0.5
171.10385	0.9
183.13878	5.9
185.15375	0.5
197.11850	0.7
199.13388	6.1
211.13351	4.8
227.12868	2.4
229.14421	100.0
230.14778	7.2
240.89091	0.4
291.19614	1.5
292.14828	0.4
309.20691	8.6
310.21115	0.9
327.04822	0.7
327.21780	5.6
328.22034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.7
56.91903	0.6
57.03450	3.6
59.01367	2.0
61.98827	1.4
62.43802	0.5
62.99370	0.5
63.06989	0.5
69.03456	3.0
70.66468	0.6
70.66802	1.2
71.01382	1.1
77.28790	0.5
83.04990	1.0
84.02165	0.9
84.69511	0.5
85.02953	12.5
95.04990	0.6
97.02966	1.8
97.06604	3.5
104.00764	0.5
109.06632	0.6
110.06487	0.5
117.58050	0.5
119.08599	0.8
123.47988	0.5
125.02397	0.7
125.09754	0.7
125.44174	0.5
127.11272	2.3
137.09732	3.3
155.10760	0.9
155.14317	0.5
158.09689	0.5
165.05537	0.5
167.14423	1.1
171.10272	30.4
172.10651	1.7
177.12837	1.1
183.13879	2.4
185.11786	0.7
193.12230	1.3
197.11728	0.6
201.11290	2.0
203.62642	0.5
205.03610	0.6
209.11800	1.3
211.13399	15.4
212.13704	1.0
221.11815	2.4
229.14442	9.2
230.14879	1.0
239.12886	1.0
270.01688	1.3
291.19653	2.0
298.01163	0.5
309.20590	1.1
313.03653	1.5
314.50223	0.5
327.21765	100.0
328.22092	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	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19755	0.3
54.83050	0.3
56.61197	0.3
58.00587	1.4
59.01381	2.8
61.74772	0.3
61.98826	0.5
62.48567	0.3
63.49019	0.3
66.03198	0.4
69.03460	0.4
69.62820	2.0
83.05016	0.6
97.06580	2.1
102.08810	0.4
104.15667	0.3
108.74230	0.4
109.06590	0.7
111.08158	9.7
121.02950	0.5
127.07651	1.4
129.09222	0.7
141.09183	0.8
153.09320	0.4
153.12830	0.9
169.12341	5.1
171.10211	0.7
179.10698	0.4
181.12370	1.9
183.13808	0.7
185.11789	1.5
193.12349	0.5
197.11824	44.8
198.12149	3.2
199.13411	7.0
209.11781	2.3
211.13374	5.3
221.11867	0.5
227.13008	1.0
229.14438	0.6
239.12759	0.4
263.20227	0.5
273.18585	0.6
291.19611	2.4
309.20663	3.2
327.05063	1.4
327.21741	100.0
328.22073	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.18223	0.6
50.66650	0.5
55.18916	0.6
58.00591	1.1
59.01377	2.3
67.15369	0.5
70.62502	1.7
71.01383	2.0
91.89546	0.5
97.02988	0.6
97.06591	1.9
109.06579	0.8
111.08152	11.0
125.09674	0.7
142.31830	0.6
155.10770	0.7
169.12328	5.5
171.10286	0.8
177.12846	1.5
181.12350	1.1
185.11792	4.3
193.38432	0.5
197.11812	37.7
198.12106	2.6
199.13406	4.6
209.11804	3.0
211.13388	3.6
211.77632	0.5
218.67134	0.5
221.11775	3.4
226.43710	0.6
227.12904	0.9
229.14348	0.7
239.12880	2.1
257.13876	0.6
263.20129	1.7
264.78162	0.6
291.19724	3.2
309.20648	3.5
327.21732	100.0
328.22049	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	327.1602
Annotation	CHEMBL595314
Peak:m/z	Relative Intensity
70.77134	0.5
70.77462	0.6
77.03973	0.5
85.87543	0.3
90.39043	0.3
93.03437	0.6
93.32759	0.4
95.05047	1.2
101.13520	0.3
105.03457	5.8
108.02140	0.4
109.02972	1.2
119.05029	7.7
119.05824	0.6
121.02965	2.1
122.53231	0.4
123.04526	0.7
123.50196	0.4
132.02208	2.0
133.02960	57.8
134.03793	12.5
136.01660	12.6
137.02454	3.8
147.04521	9.9
148.05301	0.9
149.02467	0.4
149.06091	0.6
151.03961	1.8
153.05573	8.3
160.01683	1.9
163.03963	1.1
164.01123	0.6
164.04759	1.0
175.04022	1.8
177.01923	18.7
178.02565	1.5
179.03554	0.6
192.04285	10.9
193.05043	14.3
194.05365	0.8
214.09985	0.5
268.14624	1.5
283.17047	0.7
309.04269	0.4
312.13663	14.4
313.14014	1.3
327.16003	100.0
328.16345	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	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59533	0.3
58.00595	1.9
59.01382	3.3
61.98826	0.6
69.03440	0.4
70.75062	0.7
71.01393	0.6
83.05022	0.5
85.02951	0.8
97.06586	1.8
105.90128	0.3
106.01287	0.3
107.01204	0.3
109.06582	0.6
111.08155	9.0
119.04972	0.3
121.02956	0.7
125.09641	0.5
127.07655	1.7
151.11252	0.4
151.84689	0.3
153.09280	0.5
153.12831	0.9
156.65631	0.3
165.12798	0.3
169.12340	4.8
169.13878	0.5
171.10229	2.4
177.12952	0.3
179.10759	0.5
181.12302	2.3
183.13867	0.7
185.11833	1.8
193.12325	0.7
197.11827	42.8
198.12158	2.8
199.11714	0.6
199.13405	6.5
200.13707	0.7
201.11331	0.8
209.11818	1.3
211.13390	5.1
221.11798	0.7
227.12914	0.7
229.14456	1.4
239.12819	0.5
239.16489	1.8
263.20108	0.7
265.17987	0.5
273.18552	0.5
291.19641	3.4
299.05609	0.5
309.20688	2.8
327.05157	2.4
327.21750	100.0
328.22073	11.0
328.25983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1599
Annotation	Nepetaparnone
Peak:m/z	Relative Intensity
50.10593	0.5
54.76014	0.5
55.01872	0.7
57.17222	0.5
59.01382	3.3
59.98521	0.6
61.98822	0.9
62.84190	0.5
62.98665	0.5
65.00323	0.8
69.20560	1.2
69.20959	4.4
83.05030	1.4
95.16268	0.5
99.04519	0.7
108.02235	0.6
113.06084	11.2
117.07786	0.5
121.02926	0.6
121.06595	15.8
123.04501	1.7
123.57861	0.5
130.04218	1.0
132.02205	1.2
133.02965	1.1
134.00156	0.8
135.08165	2.3
141.03398	0.8
145.02971	1.2
147.04510	0.9
149.99571	1.7
154.04260	7.3
154.39812	0.5
156.02173	6.9
157.06538	0.7
158.03763	1.4
160.05293	24.9
161.06088	4.5
162.02306	0.5
164.98259	0.8
169.02910	1.8
169.06572	0.9
170.03726	3.1
173.02377	1.3
173.06114	2.8
174.06436	0.6
175.00377	0.6
176.98303	0.6
177.98985	0.6
182.03751	3.7
183.08009	0.9
185.02454	0.7
185.06052	0.7
186.03217	8.8
192.04283	15.3
193.04584	0.9
197.02417	1.9
197.06085	1.2
198.03226	6.8
199.07681	0.6
200.08388	2.1
201.09198	1.8
202.02757	0.6
204.97729	0.5
213.01909	1.4
213.05515	1.2
213.09190	4.7
214.02722	5.1
214.09770	0.5
225.01920	1.4
225.09296	0.6
226.02705	8.4
229.04976	3.8
237.09196	5.6
241.01387	1.8
241.05074	0.7
242.02205	23.1
251.14368	1.8
251.16960	0.5
254.02216	2.0
257.00830	1.0
257.04568	2.0
269.00943	2.7
270.01682	95.8
284.03271	2.8
285.04034	33.6
295.13351	16.7
296.13690	2.1
298.01132	12.3
299.05499	1.5
313.03528	100.0
317.83966	0.5
327.16000	76.0
328.05865	34.4
328.16379	9.8
328.20642	0.8
328.21707	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10745	1.6
57.03431	3.3
59.01377	29.0
65.16145	1.6
69.03452	2.5
69.48370	7.0
69.48792	4.1
71.25832	1.7
72.41196	1.7
83.05025	6.2
85.02930	2.4
91.36404	1.6
97.06557	3.3
111.04414	1.9
113.02456	3.3
121.02936	1.9
125.02447	3.1
137.09705	2.3
163.11241	6.3
177.12785	3.3
179.14343	2.1
181.05063	2.1
195.13867	20.5
196.14168	1.8
197.15443	3.9
223.13402	19.6
241.14438	100.0
242.14699	7.5
283.15485	14.7
299.05310	2.6
311.65054	1.6
327.05112	13.4
327.08545	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	327.1449
Annotation	Xylaroside A
Peak:m/z	Relative Intensity
57.03452	4.4
59.01383	19.5
69.22743	16.2
74.50628	1.9
83.05039	6.4
85.02949	3.0
87.00871	4.3
96.05785	2.0
97.06615	3.2
120.37627	1.8
121.02944	2.4
125.02399	1.9
126.92820	1.9
143.03432	2.4
146.20100	2.3
155.10765	9.1
163.11255	7.5
179.03558	3.3
179.14421	4.4
192.14560	2.2
195.13884	15.7
197.15425	8.1
199.09694	3.4
206.10307	2.2
223.13431	16.5
241.14449	100.0
242.14758	8.0
283.15524	14.9
327.08728	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	327.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	4.5
59.01368	7.5
66.87273	2.7
71.01366	10.4
71.54253	2.8
71.54655	4.4
72.02150	10.0
72.99280	4.1
75.00864	3.9
81.03463	2.9
83.05025	6.8
85.02952	10.4
87.04511	12.2
93.03454	6.0
98.03762	4.8
102.49263	3.2
110.80457	2.9
111.08114	5.0
119.05035	18.2
121.02966	6.9
123.01134	3.3
123.04514	7.5
125.02427	6.2
143.05023	4.6
151.11333	3.4
163.03979	8.1
165.12766	4.8
167.14471	3.7
195.13849	5.3
197.15463	19.4
205.03456	5.2
235.07437	3.3
237.09219	7.8
239.16507	100.0
240.16896	11.9
241.14467	9.0
259.38422	3.0
283.09763	11.7
327.04926	5.4
327.08633	61.8
328.08975	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	327.1239
Annotation	4'beta-Hydroxyeriobrucinol
Peak:m/z	Relative Intensity
57.03460	2.0
59.01366	5.6
61.98829	2.5
68.76920	1.4
70.90514	3.1
70.90844	2.0
71.01377	2.5
85.02982	2.0
87.04500	3.5
91.77183	1.7
93.03473	2.8
96.91026	1.5
99.04533	3.9
100.64833	1.9
106.75345	1.6
111.00883	3.5
121.02982	2.8
121.06602	2.9
133.02940	5.5
143.36317	1.6
145.02953	6.9
171.28334	1.7
173.02429	3.2
173.04573	5.3
174.03215	29.0
175.03970	3.7
178.02747	2.0
191.07121	3.0
197.02455	2.8
199.49782	2.1
206.02208	20.7
207.02557	2.2
213.01869	3.4
213.05502	2.6
215.07098	3.6
228.07823	2.4
239.16617	2.0
251.07120	2.6
269.00983	10.1
270.01489	3.8
273.18527	4.6
283.13394	44.7
284.03162	8.5
284.13638	5.1
299.05582	7.6
309.11353	7.4
313.03534	3.9
327.12360	100.0
327.21765	33.9
328.12695	10.1
328.22253	1.7
335.30478	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	327.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76819	0.3
55.01867	0.4
57.03437	0.9
58.65884	0.2
59.01375	2.0
61.22331	0.3
69.03446	0.6
69.72520	0.5
69.72918	1.1
71.01376	1.7
72.00880	0.4
72.99307	3.9
73.02962	0.6
74.02490	0.3
75.00883	0.9
79.05531	6.1
79.95720	0.6
80.18048	0.4
81.03458	10.0
83.01413	0.3
85.02950	5.6
87.00854	0.4
96.96009	8.7
97.02966	0.5
99.00871	3.5
101.02426	0.6
104.03542	2.1
111.00893	0.9
113.02464	1.3
115.03963	0.4
116.00794	0.3
117.01926	0.3
121.02981	1.9
122.03567	0.3
122.92053	0.3
123.04527	100.0
124.04861	3.6
125.02448	13.5
125.59914	0.3
126.02802	0.5
126.53131	0.4
129.01942	2.5
131.03519	0.5
133.02977	0.5
143.03508	2.4
147.04501	0.3
159.03009	0.6
161.04572	1.4
165.05588	0.5
169.01419	0.3
179.10771	0.5
205.03529	14.0
206.03926	0.4
241.00224	0.5
256.99789	0.6
298.12766	0.4
327.07523	9.0
328.07855	0.7
328.13965	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68826	0.4
55.01869	1.2
57.03455	3.9
59.01381	13.9
69.50455	0.9
69.50861	2.1
71.01385	2.3
72.99302	0.9
73.02938	0.9
75.00897	0.7
79.05521	0.6
81.03447	0.9
81.23972	0.5
83.01398	1.4
85.02956	22.7
87.00854	1.4
89.02466	0.4
93.03449	6.0
94.72980	0.5
99.00876	0.5
101.02436	1.9
105.01931	1.4
107.05041	0.6
111.00879	4.1
119.05044	1.3
121.02969	3.6
121.06599	7.4
123.04534	12.1
124.04836	0.6
125.02469	1.9
129.01942	9.8
130.25647	0.4
135.04501	1.8
147.04593	0.6
159.16588	0.6
161.04539	1.4
165.04103	8.2
165.05562	100.0
166.05917	4.9
179.03517	1.2
191.02010	1.4
205.03568	4.6
205.11623	0.5
209.03008	1.8
319.17102	0.5
327.07352	0.8
327.10858	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	327.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.01369	1.6
70.15865	0.4
71.01379	1.2
72.99305	3.3
73.02952	0.5
75.00865	0.9
79.05533	7.2
80.21513	0.4
81.03461	8.8
85.02944	5.7
85.70694	0.4
88.08450	0.4
96.17561	0.4
99.00891	2.3
101.02466	0.4
107.69775	0.4
110.05511	0.4
111.00874	1.0
113.02440	0.8
117.01958	0.6
121.02949	2.2
123.04523	100.0
124.04855	3.2
125.02445	10.7
129.01921	1.8
131.03528	0.4
143.03493	1.8
161.04573	1.3
165.05540	0.4
205.03522	11.9
205.05444	0.9
206.03795	0.8
289.07190	0.6
327.07382	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23838	2.3
55.01891	9.0
59.01379	19.4
70.32684	6.3
71.01380	12.6
75.00878	59.1
78.95909	9.6
84.04560	1.6
85.02936	4.6
87.00878	6.8
89.02439	13.4
101.02435	9.4
111.00932	2.0
113.02467	2.7
114.48493	1.7
119.03496	4.4
121.67215	1.7
129.01941	12.1
130.21762	2.0
147.03024	3.9
154.91576	3.9
163.05083	1.8
185.04193	2.0
191.01962	2.2
219.98991	2.1
254.04420	3.0
281.26459	2.1
294.66083	2.1
309.08279	2.1
327.09338	100.0
328.09653	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	327.1087
Annotation	Paeonoside
Peak:m/z	Relative Intensity
53.38919	0.4
55.01870	0.7
57.03458	3.1
59.01381	14.0
60.39326	0.3
70.41531	1.2
71.01385	2.6
72.99326	1.0
73.02944	1.4
75.00871	0.9
81.03450	1.1
83.01393	1.6
85.02956	18.3
87.00876	1.7
93.03460	5.3
99.00905	0.8
101.02443	1.9
103.72976	0.4
104.79852	0.3
105.01942	1.4
107.05071	0.5
111.00893	3.2
113.02464	0.4
119.04997	0.5
121.02951	3.0
121.06599	7.2
123.04536	7.7
125.02431	0.8
127.35653	0.4
129.01956	6.4
135.04532	1.6
146.61128	0.3
147.02972	0.4
147.04526	0.7
147.07526	0.4
156.42645	0.4
161.04529	0.7
165.04132	6.9
165.05569	100.0
166.05917	5.5
179.03490	0.8
191.02002	0.8
205.03505	3.5
207.71165	0.3
209.03026	1.2
235.93733	0.4
308.92346	0.4
327.07440	0.7
327.10803	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0873
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
69.35313	0.7
71.03243	1.5
72.38268	0.8
91.30083	0.7
93.03456	15.7
96.99305	3.2
106.04256	0.8
109.02937	0.9
119.05024	51.4
120.05324	2.3
121.02941	1.2
131.05049	3.7
132.05740	1.2
133.02951	6.2
133.06503	0.8
135.04480	0.9
143.05026	10.5
145.02901	0.8
145.06561	3.2
147.04514	0.8
163.04005	34.6
164.04330	2.3
165.01840	0.8
177.05544	0.9
195.04491	1.3
209.05978	1.1
211.07674	3.9
221.09615	1.0
222.06720	1.1
223.07422	1.0
235.07574	2.6
237.05446	0.8
237.09175	9.7
238.09578	0.9
239.10716	3.1
248.53145	0.7
265.08728	8.8
266.08914	1.3
283.09756	22.8
284.03287	2.1
284.10138	2.2
299.05508	2.8
309.07584	2.3
327.05008	16.7
327.08658	100.0
328.05453	1.4
328.09042	11.4
339.80313	0.7
343.60162	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41843	1.7
55.01872	11.8
59.01381	22.4
60.10426	2.1
61.59369	1.9
64.32504	1.9
70.87038	3.6
70.96577	2.1
71.01383	13.8
72.99311	2.0
73.02959	1.8
75.00874	59.0
78.95921	10.7
85.02964	6.5
87.00892	14.6
89.02442	13.7
101.02455	8.2
102.18521	1.9
102.94362	2.0
104.03532	5.4
104.58411	2.2
110.89936	2.3
111.00907	2.2
112.89647	2.4
113.02463	3.2
119.03494	4.8
129.01936	12.7
131.04671	2.3
145.06200	2.1
147.01994	2.0
147.03014	5.0
163.05141	7.7
179.05621	7.5
191.05638	2.5
208.03860	4.0
228.97456	5.0
254.04370	7.3
327.09341	100.0
328.09686	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	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12714	1.5
55.01875	4.3
57.03445	19.9
59.01366	3.7
70.30355	2.4
70.30732	2.1
71.01382	6.9
72.47126	1.6
72.99318	8.2
73.02931	4.5
75.00872	1.9
81.03468	7.7
83.01376	9.8
84.02178	1.7
85.02949	100.0
86.03289	1.9
87.00866	2.6
99.00895	7.6
101.02431	4.8
111.00156	2.3
111.00878	23.1
113.02469	1.9
117.01891	1.6
119.05011	1.7
121.02948	22.0
125.01642	1.9
125.02456	21.0
129.01936	45.3
133.03017	1.5
143.03482	3.4
149.02406	5.4
157.31653	1.3
161.04469	3.8
187.02455	1.6
205.03511	40.2
205.05418	2.5
327.08087	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	327.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.5
57.03441	0.9
59.01384	5.8
69.03458	3.6
70.68959	1.8
71.01385	5.3
72.99312	23.3
75.00877	9.0
79.42390	0.9
81.03463	37.2
85.02962	4.0
87.00875	1.9
89.02438	2.5
93.03453	4.7
97.02943	1.2
99.00279	1.3
99.00880	19.6
101.02424	2.8
101.67463	1.1
111.00890	1.2
113.02454	3.5
117.01920	3.4
121.02943	8.6
125.02456	100.0
126.02782	3.9
129.01906	2.3
131.03514	1.6
135.04549	1.9
143.03503	16.3
159.03018	1.2
161.04558	7.4
163.05130	1.4
165.04039	2.5
169.01411	1.6
181.14517	1.0
187.02486	1.6
205.03534	62.2
206.03839	3.3
240.74596	1.0
327.09161	5.4
327.13071	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39255	0.9
55.01869	2.5
57.03447	11.1
59.01378	16.6
62.28186	0.9
63.79509	0.8
67.01914	1.2
69.80806	4.5
70.84468	0.8
71.01379	6.2
72.99329	1.7
73.02952	2.6
73.89661	0.8
74.54903	0.8
75.00861	1.6
79.05538	1.9
81.03447	1.9
83.01375	4.8
85.02952	63.6
87.00880	4.1
91.89506	1.0
93.03464	7.8
98.20600	1.7
99.00877	1.9
101.02444	3.3
105.01925	3.4
111.00894	11.8
119.05006	1.4
121.02955	9.9
121.06607	8.5
123.04527	23.3
125.02447	2.4
129.01955	26.0
133.01491	0.8
135.04570	4.5
161.04538	1.4
165.04068	12.2
165.05553	100.0
166.05894	5.8
179.03404	2.0
191.02052	2.0
205.03503	11.9
209.03104	4.2
315.45502	1.0
327.07135	2.6
327.10751	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	327.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85407	1.2
55.01869	2.9
56.26284	1.2
57.03447	18.7
59.01380	18.4
67.01871	2.0
69.70953	2.8
69.71360	4.5
71.01381	7.0
72.99303	3.4
73.02947	2.9
75.00879	2.4
79.05513	2.2
81.03484	1.7
83.01397	8.3
84.02135	2.5
85.02950	92.6
86.03278	2.0
87.00870	3.9
87.41335	1.1
93.03451	5.2
98.20653	1.7
99.00893	2.5
101.02425	6.0
105.01924	3.4
111.00889	17.6
113.33456	1.2
121.02962	17.1
121.06611	6.3
123.04528	21.8
125.02441	3.5
129.01950	39.4
130.02290	2.1
131.78752	1.2
135.04521	3.9
147.03014	1.4
160.19661	1.1
161.04552	1.9
162.81157	1.3
165.04060	17.1
165.05547	100.0
166.05911	5.8
179.03499	3.5
191.01956	3.3
205.03516	16.0
209.03102	5.9
209.34904	1.4
299.20148	1.2
307.87799	1.3
327.07166	1.8
327.10699	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94114	0.9
56.46044	1.2
58.50496	0.9
59.01380	2.8
61.98825	2.8
70.76171	1.2
70.76504	2.4
75.79874	1.0
85.02997	1.3
107.74880	1.0
113.09791	0.9
115.93441	1.0
117.03487	1.1
120.99307	1.3
125.09708	1.1
129.03456	2.8
141.03424	4.8
145.02959	2.6
148.98773	1.3
153.03448	6.9
169.01686	1.4
169.02986	16.6
171.04544	1.5
171.10382	1.4
173.02437	5.3
174.76886	1.1
181.02965	1.8
183.01253	2.2
185.02438	1.4
187.03943	1.5
197.02452	18.1
201.11287	2.3
211.03963	1.4
213.01924	21.4
213.11360	2.3
214.02406	1.7
225.01920	4.5
241.01471	16.4
242.01744	1.4
256.03787	3.1
263.20135	1.3
269.00919	73.3
270.01245	5.9
278.94183	1.0
284.03268	100.0
285.03519	9.3
299.05603	57.4
300.05917	7.0
309.20752	1.4
327.05325	8.8
327.12943	1.3
327.16287	4.5
327.21811	12.9
328.05444	1.2
335.34888	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93520	1.3
55.01870	4.5
57.03449	18.6
59.01365	5.7
61.98825	3.7
67.01878	1.6
68.95938	1.3
69.03430	1.4
70.91118	3.3
71.01378	6.7
72.99308	8.7
73.02941	4.8
75.00861	2.5
81.03435	7.1
83.01400	10.5
84.02165	2.3
85.02949	100.0
86.03281	3.9
87.00882	1.7
87.69138	1.1
89.02438	2.3
89.68635	1.1
93.03458	2.7
96.95995	6.6
99.00884	7.2
101.02434	5.3
111.00177	1.6
111.00888	23.5
112.67255	1.1
113.02415	2.2
117.01928	2.0
119.05013	4.0
121.02068	1.4
121.02950	25.1
123.04535	6.4
125.02445	20.0
129.01944	47.8
130.02209	1.4
131.28525	1.4
131.94125	1.5
133.02950	3.2
135.04474	2.4
143.03455	4.1
147.04517	1.5
149.02403	4.9
149.04570	3.3
161.04526	4.2
163.03978	2.4
165.05592	1.8
177.04160	1.5
187.02408	1.9
195.02945	3.5
205.03523	36.7
230.52461	1.3
283.09756	1.6
327.07941	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	97.2
61.98832	70.5
63.65058	28.6
71.54415	34.2
85.59463	26.8
85.76376	31.2
121.02948	29.2
134.04747	28.0
134.13458	24.6
151.52588	24.3
186.97676	29.9
225.05492	32.6
253.05153	34.0
269.00827	74.8
284.03183	100.0
288.27151	26.6
299.05682	58.4
311.11533	31.8
326.14362	37.7
326.34137	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27354	0.5
59.01380	100.0
60.01709	0.9
61.98822	0.8
67.72177	0.5
69.67793	3.0
75.65820	0.5
82.65755	0.5
98.20724	0.8
119.89909	0.6
156.10336	0.6
185.68146	0.6
237.40878	0.5
259.25592	0.6
266.21341	3.9
273.38171	0.5
295.48468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32950	0.7
52.61343	0.8
54.73600	0.7
59.01381	100.0
60.01724	1.5
61.98818	1.0
69.25284	1.2
69.25681	6.6
100.26062	0.8
108.14332	0.8
129.05544	0.8
138.90181	0.8
159.00742	0.8
169.26706	0.9
179.31880	0.8
188.07111	1.6
220.66542	0.8
237.31609	0.8
266.21222	5.3
269.00800	1.2
313.76804	1.0
326.13638	1.0
326.17624	2.2
330.15430	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87514	0.9
53.66548	1.0
53.96769	0.9
59.01378	2.5
61.98821	1.7
65.42844	1.0
69.77995	4.4
101.23003	0.9
104.99906	1.0
113.09708	1.8
120.99359	1.2
121.02948	1.8
125.09740	1.2
129.03465	1.7
132.32616	0.9
141.03452	4.2
145.02975	1.8
148.98853	1.4
153.03432	5.9
157.02937	1.3
169.02959	21.3
171.04472	1.8
171.10239	2.4
173.02423	4.5
181.02904	2.5
183.01288	2.2
184.05249	1.9
185.02432	1.6
197.02458	20.9
201.11328	6.1
209.55557	1.0
211.03940	2.0
213.01920	24.0
213.11340	3.3
214.02312	1.5
225.01962	2.9
241.01375	18.1
255.02950	1.9
256.03726	2.2
267.99988	2.8
269.00906	80.4
270.01312	6.4
284.03253	100.0
285.03528	10.3
299.05591	61.5
300.05920	7.3
309.20636	1.8
327.05142	8.0
327.16251	4.4
327.21835	17.3
328.22128	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	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87558	2.1
59.01371	8.4
60.40928	1.9
60.84043	2.1
61.98829	4.9
70.65878	5.3
73.43664	2.0
121.10269	2.4
123.08135	2.7
139.11302	5.0
151.11287	10.9
171.10249	20.0
177.12845	4.3
183.01215	12.1
183.10223	13.1
197.02773	11.1
225.99416	2.0
275.20227	10.6
293.21255	5.2
307.22763	15.4
325.18405	32.7
325.23816	100.0
326.18906	4.7
326.24164	10.7
349.03079	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.7
61.98830	100.0
69.57621	4.9
69.58039	2.0
83.36606	0.9
90.50757	0.9
98.19898	1.7
129.13298	0.9
138.84996	0.9
167.13280	1.1
205.03543	0.9
282.55246	1.0
327.10355	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57146	0.9
57.03429	1.5
59.01366	4.1
61.20655	0.8
61.70997	0.9
61.90617	0.8
61.98825	1.7
69.24537	5.5
69.24960	2.5
71.01390	1.0
80.85152	0.9
83.65462	0.9
95.04997	1.2
97.06599	1.4
101.02461	1.0
109.06606	1.3
111.08156	1.0
119.04980	1.0
121.10246	6.3
123.08140	2.2
125.09692	1.7
137.09683	1.7
139.11282	20.4
149.09697	1.1
151.11275	10.1
153.09180	1.2
153.12938	1.1
155.10811	1.8
166.17880	0.9
167.10770	1.0
171.10262	31.6
172.10576	2.0
177.12790	8.9
183.01164	3.4
183.10263	8.3
197.02779	2.0
205.26355	1.0
231.21106	1.1
275.20120	11.0
276.20566	1.3
293.21185	7.9
294.21347	1.5
307.19199	1.3
307.22769	27.1
308.23071	3.1
325.18375	11.0
325.23807	100.0
326.18604	1.2
326.24197	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.217
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
54.63658	0.5
59.01373	0.9
70.95904	0.7
70.96245	1.3
79.95741	1.5
90.12920	0.6
92.67404	0.5
119.05048	1.2
125.76975	0.5
128.17389	0.5
149.09711	78.7
150.10059	4.5
163.11281	84.1
164.11583	4.9
170.00365	1.2
183.01198	46.7
184.01941	6.7
197.02748	1.9
198.03487	0.7
216.01010	2.6
270.38022	0.6
270.97989	0.6
288.60034	0.6
325.18362	100.0
325.21786	82.6
326.18674	11.2
326.22131	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	325.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38849	0.5
59.01381	100.0
60.01717	11.8
61.01804	1.5
61.98823	2.3
65.88503	0.6
70.39077	1.1
70.39435	1.4
77.55518	0.5
156.10303	1.0
157.10654	1.1
171.85439	0.5
183.01263	1.1
183.96178	0.6
186.33846	0.6
193.07304	0.7
265.20221	1.3
325.14880	0.9
325.18460	0.7
325.24136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57463	0.6
55.51713	0.5
56.01556	0.4
58.36790	0.6
59.01381	100.0
60.01714	12.5
61.01804	1.6
61.98825	0.9
62.09321	0.7
64.53046	0.5
67.14129	0.5
69.88945	2.5
70.21351	0.6
71.01393	0.5
157.10608	0.5
175.04507	0.5
183.01241	1.2
201.87677	0.6
214.44931	0.6
220.96051	0.6
265.20041	1.5
324.49292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	6.4
59.01377	25.3
61.01025	4.8
71.53471	10.1
85.02956	4.6
93.51720	4.7
94.90733	4.7
97.02957	4.7
109.06573	29.7
181.12247	5.3
193.12350	5.9
197.11836	51.1
198.12148	6.3
209.11850	7.1
211.13324	33.6
237.14810	5.6
249.14694	5.8
307.19223	9.4
325.10950	10.9
325.14731	5.5
325.16302	6.1
325.20279	100.0
326.13861	5.6
326.20340	7.7
332.84518	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36115	1.8
53.53009	1.7
57.03453	10.4
59.01387	10.4
61.78134	1.6
61.98825	2.4
67.94968	1.8
69.03454	4.3
69.23742	5.9
69.24169	8.9
71.01376	2.9
71.05020	8.0
75.83423	1.7
79.05537	1.8
80.02649	3.3
81.03456	3.6
83.05026	7.3
84.02144	4.6
85.02928	3.9
85.06551	2.9
94.57478	1.5
95.05014	8.0
96.96023	2.0
97.02950	4.3
97.06592	8.6
98.19878	3.7
109.06572	10.4
111.04518	4.8
113.06109	2.4
115.07657	4.1
119.05029	2.1
123.08125	4.2
125.09715	8.1
127.07609	5.4
127.11224	2.2
135.08156	5.6
137.09743	2.9
151.11263	2.4
153.09183	9.3
162.84959	1.8
163.11252	5.5
165.12704	2.3
169.12439	1.9
171.10265	34.8
177.03127	1.7
177.12846	2.2
181.12463	2.7
183.13840	2.0
185.11844	8.8
191.14369	3.0
193.12325	7.1
197.11827	19.7
199.13390	2.5
201.11266	4.3
205.15967	2.9
207.10158	3.2
209.11823	36.4
210.12193	2.7
211.13362	18.3
221.11858	2.0
225.11447	2.0
227.12840	5.0
235.13391	4.7
237.14964	9.3
238.12025	2.5
245.19075	4.8
249.14879	10.5
267.15857	4.3
289.18121	15.3
307.19125	37.8
308.19556	4.8
325.20172	100.0
326.20569	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65797	2.0
56.37881	1.9
57.03445	6.7
59.01392	13.1
61.98823	3.8
69.03450	4.3
71.01368	5.8
71.05023	8.6
71.11291	4.0
80.02664	2.9
81.03430	2.4
83.05020	5.7
85.02954	2.0
95.05050	4.7
96.96033	3.4
97.02943	2.3
97.06611	5.9
98.22910	1.9
100.38048	2.0
109.06591	21.6
111.08205	2.6
123.08191	3.6
125.09705	4.5
127.07716	2.4
127.11298	3.3
151.11319	4.2
153.09143	2.3
167.10777	8.4
169.12314	5.7
171.10313	2.8
181.12344	3.4
183.13914	4.0
193.12288	3.3
197.11832	39.5
199.13414	4.7
201.11328	16.3
211.09828	5.7
211.13373	28.2
213.11337	8.5
235.13322	4.3
237.14940	21.1
239.77777	1.9
261.59091	2.6
268.85135	2.0
281.17502	3.3
289.18045	17.5
290.18506	2.7
293.77521	2.0
307.19128	11.3
310.08316	2.6
325.03561	9.3
325.17056	4.0
325.20200	100.0
326.13913	2.2
326.20471	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97514	2.3
57.03434	7.4
57.23213	2.1
59.01369	11.1
59.71257	2.4
65.29121	2.5
69.03448	4.3
71.01386	2.6
71.05011	8.1
71.31558	3.0
71.31901	2.6
73.02949	2.8
81.03440	3.3
83.05038	11.9
84.02165	8.9
84.44044	2.6
88.98802	11.6
89.02425	3.5
95.05007	7.3
97.02960	4.4
97.06595	7.7
106.04216	3.1
109.06621	6.5
111.08147	2.5
123.08160	4.7
125.06034	3.8
125.09712	4.7
127.07645	5.8
135.08162	8.0
140.52966	2.6
153.09195	14.1
155.82265	2.9
157.08733	2.8
163.11275	5.4
165.12851	5.3
171.10257	47.9
181.12328	3.3
185.11836	9.8
186.66107	2.9
191.14343	2.9
193.12312	6.0
195.10260	5.0
195.13960	3.3
197.11809	13.3
201.11224	3.9
209.11819	89.9
210.12138	5.0
211.13391	10.8
223.13373	5.5
227.12883	8.5
237.11266	3.6
237.14830	4.4
238.12045	2.6
245.19048	3.5
249.14893	6.9
267.16263	2.8
289.18121	9.4
307.19119	52.6
308.19498	4.4
311.13364	2.4
325.20206	100.0
326.20554	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	325.2019
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
53.15182	2.4
55.01900	2.6
58.00579	3.9
58.28274	3.0
59.01378	21.0
59.06117	2.8
69.50768	17.8
71.01391	11.8
73.02942	3.3
80.02657	2.8
84.02133	2.8
86.83112	2.5
97.06584	2.9
106.04289	2.7
109.06596	3.4
111.04482	2.8
111.08155	39.8
119.05025	5.0
121.06612	2.8
123.08151	19.0
125.09689	7.1
127.11324	7.6
135.08160	12.0
137.09785	4.8
139.11253	6.3
141.12814	3.5
149.09752	2.8
153.09203	9.9
155.10779	13.2
166.90039	2.7
167.10748	9.3
169.12343	7.2
171.08836	4.3
171.10260	69.6
183.01260	8.1
183.10266	9.7
185.11819	56.3
195.10301	4.6
197.11781	28.4
201.11325	69.0
202.11766	3.8
209.11868	4.3
213.11337	20.1
215.12784	3.6
227.12883	4.8
245.19099	5.4
263.20175	3.2
289.18137	15.6
305.85117	2.9
307.19055	11.7
325.14780	9.2
325.20218	100.0
326.20602	11.7
326.99399	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	325.2019
Annotation	Plakortenone
Peak:m/z	Relative Intensity
50.53122	1.0
51.07306	1.0
57.03411	1.0
59.01376	4.2
61.98849	0.9
64.09126	0.9
69.69293	3.3
69.69717	3.2
97.06599	1.2
107.35857	0.9
119.05078	1.0
121.02959	4.4
122.03753	4.4
125.09706	1.4
136.05307	1.7
164.08455	1.1
165.12848	1.3
167.14366	6.5
183.01230	1.8
190.94418	1.0
193.15991	4.7
199.69832	1.0
207.17477	5.8
231.17563	3.0
249.18593	35.1
250.18996	3.7
273.32629	1.1
275.16516	26.6
276.16937	2.0
281.21231	7.2
293.17584	100.0
294.17929	9.9
304.02997	1.1
307.19247	5.8
325.20245	91.4
325.23584	5.2
326.20526	9.2
349.29932	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2017
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
51.77361	1.4
57.03444	2.1
58.00592	5.1
59.01383	7.3
61.98819	2.8
67.01917	1.4
69.03460	1.7
71.01393	5.2
71.54548	1.8
77.37562	1.5
83.05015	1.5
84.02177	3.2
88.83383	1.4
95.05046	2.3
97.06584	4.1
109.06571	2.6
111.08155	13.9
119.05065	1.9
123.08131	6.2
125.09732	6.1
127.07671	1.9
127.11300	3.1
135.08127	3.2
135.82193	1.6
136.72758	1.5
137.09692	2.5
151.11320	3.1
153.09210	8.8
153.12807	3.3
155.10742	4.0
163.04063	1.6
165.12802	1.7
167.10756	4.7
171.10262	40.2
171.13895	1.7
172.10674	3.0
173.81239	1.6
181.12279	2.8
183.01199	3.6
183.10185	2.0
183.13855	3.1
183.31441	1.6
185.11852	14.5
191.14517	1.7
193.05048	1.6
195.10275	1.8
197.11836	13.4
199.13393	29.4
201.11342	20.0
207.10374	1.7
209.11777	10.6
211.13470	1.7
213.11255	5.1
215.12886	3.6
225.11301	1.9
227.12883	100.0
228.13177	7.6
229.14442	5.7
245.19113	4.7
289.18091	9.0
307.19205	15.3
308.19269	2.7
325.16714	2.9
325.20236	39.5
326.20462	3.4
348.79254	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	325.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21151	4.9
58.58467	5.3
59.01377	68.5
60.01717	17.2
61.01801	38.2
61.98832	100.0
70.85155	11.9
74.18664	4.5
89.60664	4.2
120.56599	4.5
121.24434	5.8
130.77647	4.9
205.42015	4.4
224.91335	4.8
312.08481	5.2
325.20599	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	325.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52789	0.3
53.80820	0.3
66.35502	0.3
69.94193	1.5
78.81849	0.3
79.95753	1.2
82.29023	0.3
98.20582	0.4
119.05042	1.1
140.20999	0.3
170.00352	1.4
183.01196	53.2
184.01863	4.0
197.02774	3.5
198.03366	0.6
212.84431	0.3
216.00961	1.5
225.05881	0.7
239.07408	0.8
325.18405	100.0
326.18729	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	325.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	26.8
59.01386	75.9
69.58332	9.2
69.58743	25.1
71.01373	6.8
71.69173	5.1
80.64101	4.9
83.05013	24.9
84.32850	5.3
87.04520	65.8
87.05017	8.0
91.01865	11.2
97.06573	18.4
98.19906	9.5
99.04530	9.4
111.00896	6.0
113.06075	10.6
115.04002	8.7
119.05031	11.6
121.02956	80.6
122.03281	4.8
123.04555	32.4
134.03719	7.3
137.09677	13.1
153.09148	10.3
161.04510	9.0
163.04082	11.8
167.03499	100.0
168.03792	6.3
179.05644	7.9
193.05011	9.9
195.13896	25.2
196.15858	4.8
237.14969	78.8
325.09076	8.6
325.12631	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	325.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35588	4.9
56.51357	5.3
57.03454	32.8
59.01379	50.4
65.13886	5.2
69.26086	24.8
69.26514	19.3
71.01413	5.6
72.85162	6.4
83.05020	25.1
87.00851	6.7
87.04520	72.9
91.01886	10.2
97.06594	13.6
98.20612	9.3
113.06087	8.1
115.03991	6.1
119.05024	7.7
121.02970	61.9
123.04515	23.0
125.05698	5.4
134.03752	8.1
137.09706	17.3
138.63919	5.4
153.09215	10.7
165.12843	11.7
167.03526	80.1
193.05035	7.9
195.13934	34.8
237.14973	100.0
239.12880	6.9
283.08408	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	325.1139
Annotation	Neohesperidose
Peak:m/z	Relative Intensity
53.12489	1.2
59.01377	75.3
65.89304	1.2
69.84914	4.6
69.85320	2.7
71.01383	9.9
73.02946	27.9
75.00871	2.4
83.05045	1.6
85.02927	6.1
87.04509	7.0
89.02466	6.9
90.65089	1.2
95.01374	2.4
99.04523	1.5
101.02436	8.7
102.46653	1.4
103.04008	100.0
104.04340	3.7
113.02435	11.5
115.03967	6.2
117.05512	1.4
119.03513	6.8
119.05019	6.3
121.52440	1.3
130.08763	1.4
140.52702	1.2
145.05070	9.1
151.39389	1.3
161.04541	3.5
163.04002	3.7
175.06139	4.2
178.47289	1.5
192.01569	1.9
193.07147	3.4
261.19284	1.3
264.98001	1.5
325.11194	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66100	0.4
58.68187	0.3
59.96433	0.4
69.82493	2.1
93.03475	0.8
119.05029	100.0
120.05369	4.7
126.74837	0.4
127.92514	0.4
139.92041	0.4
163.04016	74.6
164.04341	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
50.57397	0.4
59.01374	1.9
64.48525	0.4
69.69408	2.2
71.01385	1.3
71.05027	0.5
73.02944	1.5
75.00883	3.1
81.03443	2.1
82.78379	0.4
85.02956	0.6
87.00885	1.9
93.03450	1.0
97.02972	0.5
98.19949	0.6
99.00881	0.6
99.04525	1.1
109.02925	1.7
118.05070	0.8
119.05030	52.8
120.05357	2.1
121.02956	1.4
123.04560	1.2
125.02477	0.8
134.03691	0.7
135.04556	0.7
137.02486	0.7
143.03476	1.6
149.02444	0.5
151.04051	0.5
154.30893	0.4
161.03325	0.6
161.04533	3.4
163.04013	100.0
164.04364	5.1
179.05611	10.6
201.96303	0.4
224.04813	1.0
245.08234	0.5
252.04146	0.7
289.07135	3.5
290.07492	0.5
310.11124	0.8
325.09320	3.0
325.13184	1.4
332.39697	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
69.69685	0.5
69.70269	2.0
88.77689	0.4
97.53538	0.4
98.20644	0.8
98.79236	0.6
119.05028	80.6
120.05368	3.8
131.34438	0.5
162.23793	0.5
163.04008	100.0
164.04359	4.6
205.23462	0.5
223.21956	0.5
325.09183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15556	0.4
58.99094	0.4
59.01369	1.2
64.38410	0.4
66.36702	0.4
70.27494	0.7
70.27874	0.6
86.17330	0.4
88.02624	0.4
93.03455	0.7
102.05600	2.4
104.03540	0.7
109.02972	0.8
117.03469	0.9
119.05027	100.0
120.05343	3.9
121.02950	2.8
123.00862	1.2
128.03545	4.5
137.02472	0.6
138.03215	2.6
139.00386	0.4
145.02956	2.6
146.04564	3.6
153.01884	0.5
153.05554	2.6
163.04008	80.1
164.04335	4.2
179.03554	0.5
194.04616	1.9
197.04541	4.6
243.92625	0.4
282.09683	0.6
287.97989	0.4
289.07043	0.6
304.28488	0.5
308.07730	0.5
325.09360	1.1
326.08859	7.3
326.12497	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90195	0.5
59.01382	1.4
61.98833	0.5
71.01382	0.7
71.54609	0.5
73.02945	1.0
85.02969	2.2
89.02471	1.2
89.03972	2.8
92.92896	0.5
106.04269	1.1
117.03476	9.8
118.03820	0.9
119.04982	3.2
121.02978	1.8
131.03513	1.0
134.03748	100.0
135.04066	4.3
137.02448	1.8
149.04573	6.1
149.06078	5.3
163.04015	2.6
179.05646	0.7
193.05061	97.0
194.05402	5.4
197.04655	0.8
244.55263	0.7
301.44958	0.6
326.16391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	27.9
61.99222	7.4
71.01386	36.9
71.42791	13.8
73.13986	7.4
89.02460	19.9
89.26010	8.2
92.02513	8.0
98.47224	7.6
101.92434	10.0
115.00384	41.7
119.05022	80.6
133.01434	100.0
133.05049	19.6
135.01180	11.5
145.06206	12.6
163.03992	48.5
234.21521	7.7
254.36055	8.0
264.98151	20.3
275.71964	7.4
278.09668	9.1
305.52258	8.0
325.14166	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	323.2227
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
56.24860	0.7
59.01383	12.3
61.98817	1.0
71.01368	1.3
71.54487	1.0
73.33445	0.9
74.29683	0.7
77.32055	0.7
85.02962	1.1
101.02466	0.8
101.06097	2.5
123.04564	0.9
163.18454	0.8
165.09171	1.8
165.12788	1.8
167.14363	0.9
189.12773	0.9
191.14363	1.5
259.20993	1.1
261.22235	4.0
305.21216	100.0
306.21524	11.7
323.05423	1.9
323.18396	1.4
323.22229	20.2
324.22525	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2227
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
55.28845	1.6
57.03436	3.1
59.01378	32.0
61.98815	2.8
71.01375	3.1
71.05014	6.0
71.54406	1.8
78.16276	1.9
81.03443	2.2
82.15946	1.5
83.05054	1.6
97.06577	4.2
101.06095	9.2
111.04482	2.5
119.08658	3.0
121.10204	16.9
123.08079	1.9
125.09717	11.0
135.01236	2.0
137.09709	22.4
141.12744	1.7
147.08205	2.0
149.09698	7.4
151.11357	2.5
171.10255	21.9
177.12845	4.6
185.11798	18.9
197.11815	3.0
211.13304	2.5
217.16034	3.8
235.17067	2.2
262.31851	1.6
273.18594	6.8
291.19647	100.0
292.19995	10.8
297.51437	1.6
305.21188	42.6
306.21381	5.2
323.05460	3.2
323.22244	82.9
324.22733	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	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98383	0.7
58.00586	0.8
59.01381	100.0
59.24169	0.6
60.01720	1.0
68.61164	0.7
70.54131	1.0
70.54475	1.8
70.96124	0.8
71.01377	12.1
72.99319	1.1
73.02937	0.7
85.02954	2.5
89.02445	11.0
101.02449	8.0
113.02451	4.1
119.03519	6.1
119.04976	1.0
123.32010	0.7
147.71204	0.7
151.04051	1.1
155.28625	0.8
161.04483	1.9
163.03882	0.9
206.47981	0.7
323.13455	23.7
324.13785	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25132	0.6
59.01381	100.0
60.01704	1.5
62.37455	0.6
69.32553	4.0
69.32961	1.1
89.02483	0.6
91.79508	0.5
113.02404	0.6
243.01003	0.6
323.13608	1.0
330.52295	0.6
349.58020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1863
Annotation	Hynapene A
Peak:m/z	Relative Intensity
54.73933	2.7
55.01879	3.1
56.93108	2.8
57.03448	26.3
59.01378	63.8
61.98836	4.7
64.77543	3.0
69.03456	4.6
69.80091	5.6
69.80450	15.9
71.01382	10.9
71.05024	19.7
81.03443	5.3
83.01369	9.2
83.05027	8.5
85.02927	5.3
93.03456	3.1
95.05019	17.9
96.95998	4.3
97.02984	3.1
97.06581	18.5
99.04527	4.0
99.92575	6.2
100.76278	3.3
100.94066	2.9
101.06079	30.0
107.05019	2.9
109.06605	20.0
113.06109	4.6
115.92034	3.3
116.92840	7.0
121.06599	6.0
123.08132	6.0
125.06077	5.2
125.09749	14.4
127.07643	4.0
135.08182	10.7
149.09766	3.9
151.07632	3.1
151.11284	11.8
153.09247	5.3
153.12775	3.3
161.04533	4.2
163.11256	8.9
165.09183	3.4
165.12823	17.1
171.10223	3.4
177.12856	4.9
179.10710	7.4
181.12360	22.1
185.11803	13.2
189.12888	10.8
191.10767	12.4
195.13869	5.1
203.10756	4.8
203.14389	6.3
209.11819	99.5
210.12158	6.6
221.11850	4.0
221.15407	3.3
233.11908	3.8
234.49677	2.9
237.14941	100.0
238.15303	12.5
243.17516	8.7
247.13335	6.2
249.14993	3.6
265.14441	12.2
268.99744	2.9
287.16498	38.9
295.05939	4.8
305.17560	49.7
306.17722	6.5
323.05634	15.1
323.18671	25.3
324.18982	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.9
59.01382	100.0
60.01706	1.4
64.82632	0.9
68.23495	0.9
69.32059	6.4
69.32464	1.7
69.58802	0.9
71.01009	1.6
71.01385	23.3
74.04115	0.9
81.38316	0.8
83.01389	1.6
85.02956	4.6
89.02446	23.6
95.01393	1.4
101.02447	16.4
113.02435	7.8
114.32491	0.9
119.03514	13.7
124.64358	0.9
131.03444	1.6
150.08467	0.9
161.04488	1.1
176.14583	0.9
179.05562	1.6
236.13153	1.0
296.35968	0.9
323.13455	55.2
324.13879	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.9
59.01379	100.0
60.01707	1.3
71.01382	18.5
71.29825	1.0
72.99323	0.9
80.36976	0.7
83.01384	1.3
85.02949	3.6
89.02447	18.2
95.01381	1.0
101.02454	10.2
104.77595	0.7
113.02447	7.8
119.03487	6.8
121.96481	0.7
125.02454	2.7
149.04541	0.8
176.16125	0.7
218.59454	0.7
323.13449	38.8
324.13818	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	323.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
70.96820	1.7
71.01379	1.9
82.74990	0.8
83.01379	1.0
85.02947	3.0
93.03460	37.2
94.03825	1.4
101.02467	1.0
113.02451	2.0
119.05022	1.8
129.96457	0.8
135.04466	1.0
137.02449	53.1
138.02766	1.8
145.02919	2.1
151.03949	1.5
161.02490	1.3
163.04012	2.1
175.03976	1.2
179.03435	1.8
191.02003	0.9
193.03256	1.3
198.17384	0.8
205.59334	0.8
245.10020	1.8
263.05734	0.8
279.09036	1.5
281.06641	4.8
323.07980	1.1
323.11441	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1248
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
51.95841	1.0
54.18635	0.9
58.00603	0.9
59.01382	44.8
60.01718	1.0
69.46279	6.3
71.01393	10.0
72.77472	1.0
72.99312	2.8
81.33916	0.9
85.02956	1.9
89.02454	6.9
98.20629	2.0
101.02438	6.7
104.82436	1.0
119.03522	2.3
127.81954	0.9
145.07739	1.3
146.04893	1.1
160.06421	14.9
161.07213	61.8
162.07523	2.4
175.04126	1.4
175.08771	41.0
176.09167	1.7
186.70081	0.9
187.80902	1.0
189.06700	100.0
190.02711	2.3
190.07051	3.4
203.08289	36.3
204.08565	2.1
205.05035	3.5
219.10287	3.3
229.09915	1.3
305.11554	1.8
323.12463	36.5
324.12650	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01720	1.4
61.98838	0.9
70.27274	1.1
71.01388	6.5
73.02953	1.2
78.95921	1.1
85.02949	1.7
89.02434	5.5
101.02462	4.6
101.06103	0.6
113.02461	2.0
119.03528	1.6
125.02458	0.7
127.00163	0.6
148.99023	0.6
161.04594	1.9
263.11481	2.3
323.08112	0.6
323.09464	0.8
323.13443	9.1
323.16949	0.7
338.88379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2022
Annotation	Lycofawcine
Peak:m/z	Relative Intensity
50.40900	0.6
54.83265	0.7
59.01379	100.0
60.01718	1.6
61.98809	1.1
69.86797	1.4
69.87173	1.7
78.24099	0.6
204.13948	1.2
246.14981	1.2
262.18121	8.5
263.99890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2023
Annotation	Lycofawcine
Peak:m/z	Relative Intensity
55.70057	3.0
57.36850	3.8
59.01381	100.0
61.98822	9.0
74.39259	3.3
95.04984	4.9
99.92612	4.4
109.31831	3.3
125.09725	3.5
126.69601	3.6
130.08759	7.7
141.15907	3.1
147.11804	4.9
148.79872	3.0
159.88820	4.1
185.11829	3.6
209.11858	11.2
235.15164	3.8
246.64412	3.3
262.18167	6.9
265.14389	6.2
281.29861	3.2
287.16327	3.6
297.02084	3.1
322.20142	3.7
323.18680	8.1
343.38361	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	321.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93791	0.7
59.01380	40.9
61.98830	100.0
69.76794	1.9
69.77195	2.8
86.17811	0.8
96.10994	0.7
130.08752	0.8
146.08401	0.9
198.97513	0.9
245.91879	0.9
259.16684	0.9
273.83524	0.8
279.01358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1706
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
53.04565	3.7
53.64583	3.3
57.03453	4.8
57.32202	3.8
59.01377	31.3
61.98824	8.9
67.56974	4.4
71.01376	8.1
71.05013	7.3
71.20089	3.8
71.54693	5.5
72.48866	3.4
81.03462	10.5
81.95196	3.6
85.02949	4.3
93.03469	10.9
95.05028	67.8
97.06574	11.4
107.05040	14.4
107.56573	3.5
109.06598	16.1
111.04543	9.6
121.02946	12.5
121.06594	6.1
123.04507	5.5
123.08199	8.5
125.09729	52.7
133.06657	3.8
135.04539	9.1
135.43735	3.4
149.06084	13.6
151.07640	100.0
152.07976	5.0
167.07143	9.0
167.10791	4.5
171.10236	20.8
178.06380	5.1
185.11780	23.2
205.12239	5.2
219.13866	6.6
223.13362	6.2
237.11456	4.9
237.14957	4.7
247.13406	4.6
265.14407	34.4
289.18030	5.1
293.17780	7.4
303.15994	15.4
321.07745	5.0
321.17044	29.0
321.20584	6.1
322.17545	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	321.119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87764	1.5
55.69748	1.4
57.03439	1.8
58.02975	1.9
59.01383	100.0
60.01723	1.9
70.74934	1.5
71.01382	11.3
71.54034	1.4
71.54431	1.7
73.02955	4.7
83.01411	3.2
84.57358	1.4
85.02959	6.7
89.19781	1.3
97.79378	1.3
101.02451	12.5
113.02458	3.5
114.05651	2.7
120.99714	1.5
125.02525	2.3
125.99632	1.3
134.03723	6.0
152.38957	1.3
161.04585	4.3
187.92053	1.7
193.05145	1.8
203.12857	3.5
205.03484	1.4
206.08272	2.3
235.11868	26.9
321.10083	2.4
321.15573	2.5
322.09387	2.5
322.13000	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	321.1455
Annotation	Terezine B
Peak:m/z	Relative Intensity
53.63169	0.4
57.03448	1.0
58.02971	2.3
59.01111	0.7
59.01384	9.9
70.02986	0.8
71.55515	0.5
72.04556	0.8
85.02940	0.6
85.27715	0.4
96.00920	29.8
96.04550	0.4
97.01189	0.6
97.01746	0.7
98.02458	0.6
108.08145	0.5
114.01958	0.6
129.10507	0.4
138.09296	2.8
162.12892	0.6
164.68517	0.5
191.15536	0.8
206.11818	1.5
224.12915	24.6
225.13202	1.5
233.16537	0.6
234.14986	0.7
235.14500	1.6
275.48935	0.4
277.15561	8.1
278.15881	0.9
287.56610	0.5
303.13516	0.6
321.14545	100.0
322.14880	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.8
57.03201	1.3
57.03452	17.9
59.01382	4.6
67.01864	2.0
71.01382	7.0
72.99286	1.9
73.02946	3.8
75.00855	1.4
83.01379	11.0
84.02136	2.2
85.02946	100.0
86.03288	2.7
99.00852	1.2
101.02429	6.7
111.00872	33.4
113.02444	1.2
115.07644	16.1
125.02464	0.9
129.01935	40.5
130.02264	2.0
161.04523	2.1
172.42613	0.9
187.02464	2.2
191.05595	1.2
191.13219	0.7
205.03508	23.7
206.03911	0.9
209.16222	0.9
213.88121	0.8
222.54237	0.9
223.04550	4.3
272.07700	0.9
321.04123	1.0
321.11884	3.7
324.61676	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08799	2.3
54.69492	2.0
55.01877	4.2
57.03451	21.5
59.01377	32.3
69.45596	14.4
71.01378	6.8
72.99324	3.4
73.02940	2.2
73.53642	1.9
83.01385	12.5
84.02199	4.6
85.02950	100.0
98.19936	3.9
101.02457	6.0
111.00887	33.1
115.07643	18.9
129.01942	63.9
155.99091	2.4
161.04591	2.0
205.03545	28.2
206.63747	2.4
223.04634	4.9
235.13521	2.1
321.11847	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	321.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.8
57.03447	20.8
57.43871	1.1
57.66529	1.2
59.01371	2.9
68.96307	1.0
71.01371	7.1
72.99303	1.8
73.02946	2.9
75.00848	1.4
81.87617	1.3
83.01386	10.1
84.02178	1.8
85.02950	100.0
86.03294	2.4
98.19877	2.7
101.02445	6.6
111.00878	34.7
112.01154	1.5
115.07652	16.8
129.01942	53.7
134.03714	2.1
147.67462	1.0
154.92036	1.1
161.04573	2.9
183.10327	1.4
187.02420	2.7
193.05031	1.4
201.31622	1.2
205.03514	29.9
206.03891	2.0
223.04642	5.8
229.08357	1.2
301.61673	1.2
321.11917	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	321.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13997	2.6
59.01115	5.3
59.01378	73.5
61.98803	4.3
63.28539	2.6
69.98833	2.7
71.01376	47.7
71.53695	3.5
73.02938	11.0
79.95704	3.4
83.01391	7.6
83.05042	3.4
83.26790	2.7
85.02954	18.8
87.00848	6.3
89.02444	20.5
92.56513	2.8
93.03452	5.9
96.96017	27.3
97.06577	4.2
99.00864	5.9
101.02442	34.7
111.04527	9.1
113.02444	21.3
115.07629	3.9
119.03474	9.4
119.05029	7.1
120.01212	4.0
121.02888	3.0
123.04539	4.5
130.00305	2.8
137.02435	4.2
140.23354	3.0
155.03481	3.3
159.03166	10.3
159.06566	7.7
159.10248	4.7
160.04034	100.0
161.04550	19.5
163.03978	4.3
175.79343	2.8
181.47630	2.9
191.05577	6.8
210.29912	3.2
241.10725	16.7
270.14853	2.9
303.13486	5.0
321.06467	46.6
321.11938	6.3
321.15170	17.2
322.09531	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	321.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	19.4
59.77179	1.5
61.98831	100.0
71.01379	10.5
71.53085	1.7
73.02956	1.6
74.99101	1.9
85.02960	3.1
89.02459	6.7
97.06593	16.1
101.02435	6.9
113.02430	6.3
115.07655	5.6
119.03551	1.9
119.04990	2.6
120.99592	3.2
123.04518	2.7
139.07704	1.9
147.77573	1.7
153.01976	3.7
159.03220	2.8
159.06665	22.6
160.04027	11.6
161.04541	2.4
163.04120	2.0
174.03047	1.5
175.02541	1.8
183.06566	5.6
191.05580	3.4
201.11263	2.2
217.09016	2.1
232.14445	1.6
235.10066	4.9
258.13486	7.3
258.32803	1.7
321.06451	6.0
321.10004	1.9
321.15488	5.7
322.09152	1.8
322.13156	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	320.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49739	1.2
55.31155	1.2
57.03446	1.6
57.47422	1.4
58.00587	3.9
59.01383	100.0
61.98820	4.5
70.74230	1.9
70.74552	2.6
71.01386	65.2
72.99300	4.3
73.02930	1.8
73.04596	1.3
80.52932	1.1
83.01385	3.6
85.02969	11.0
87.00877	4.4
89.02448	82.2
90.02772	1.8
95.01395	4.6
97.02957	1.5
101.02440	30.1
113.02458	26.7
114.04841	2.1
114.05615	27.3
114.06402	1.9
115.05935	1.7
119.03509	31.5
122.97142	1.4
128.07129	1.5
131.03502	4.3
140.07214	1.8
141.77840	1.4
143.03511	5.4
146.95190	1.3
149.04536	2.6
156.06639	2.1
161.04506	7.4
179.05630	15.8
227.26353	1.6
278.33463	1.4
320.09824	2.5
321.11841	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	320.1406
Annotation	Makaluvamine K
Peak:m/z	Relative Intensity
59.01377	6.3
61.98822	2.2
71.54035	0.8
116.05067	60.6
117.05405	1.9
131.03775	2.4
137.89977	0.8
144.04539	1.0
146.06125	3.4
163.08771	1.9
172.89861	1.1
177.10303	2.1
187.08766	53.2
188.09079	3.0
302.13000	1.0
320.14023	100.0
321.14359	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	320.9622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.0
61.98825	4.3
65.49384	0.3
69.45650	0.5
69.55580	0.3
69.80927	0.8
69.81328	2.1
74.52099	0.4
88.34974	0.4
88.42950	0.3
98.05269	0.4
119.93740	0.9
134.96089	25.9
135.96223	1.5
136.94009	40.8
137.53749	0.4
137.94130	3.0
151.92703	2.5
152.02385	0.4
176.98128	4.8
177.98256	1.2
178.95062	100.0
178.97563	15.1
179.95316	9.9
179.98006	0.9
183.89163	0.4
190.11420	0.4
201.20288	0.4
217.82350	0.4
257.01288	0.4
276.97284	2.8
278.95013	2.2
320.96179	40.7
321.96310	7.4
329.43033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70772	1.0
57.03426	1.5
58.00584	6.0
59.01377	15.7
61.98821	1.9
69.18263	1.0
71.01374	3.1
72.99290	1.8
73.02943	27.1
76.23623	1.2
80.51200	1.2
85.02946	1.9
95.05018	1.6
97.06577	2.7
109.06571	3.3
113.06076	1.6
125.06078	3.2
127.07637	1.4
138.11871	1.1
139.07655	5.3
205.19626	2.0
229.36771	1.7
234.49159	1.2
245.07913	1.1
255.21236	2.2
259.20612	2.0
261.22244	3.1
263.23834	4.0
273.22125	10.4
289.21695	2.6
291.23322	22.5
292.23569	2.1
301.21814	2.6
307.18396	1.2
319.22763	100.0
320.23148	12.4
327.65945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37222	0.8
57.03431	1.2
58.00594	3.4
59.01382	13.4
61.19427	0.8
61.98830	1.7
69.28864	7.5
71.01376	2.6
72.99301	2.0
73.02946	20.9
83.05002	0.9
84.02168	1.8
85.02976	2.1
97.06593	2.0
107.05007	0.9
111.08156	1.0
113.06061	1.6
123.04510	0.9
125.06079	5.0
128.62549	0.8
136.28604	0.8
137.09660	0.9
139.07671	3.8
139.11301	1.0
141.12955	0.9
153.12856	0.8
155.14326	1.7
205.19621	2.5
250.15826	1.1
255.21107	1.7
257.22879	1.2
259.20746	0.9
261.22186	3.4
263.23846	3.3
273.22226	7.2
274.22522	1.9
277.21640	1.0
289.21716	1.4
291.23297	19.0
292.23706	1.7
301.21744	2.8
314.43924	0.8
319.22766	100.0
320.23056	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	319.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74480	0.7
58.02982	7.9
67.78371	0.5
69.66030	1.6
69.66425	1.5
70.02940	0.6
71.58335	0.6
72.00919	4.8
82.06626	2.7
90.14336	0.6
91.05538	12.5
92.05900	0.8
96.03281	0.7
103.05534	0.9
112.07671	3.2
118.06627	3.3
126.09273	1.4
129.10344	69.4
130.10663	2.3
132.25510	0.7
147.04523	25.2
148.04880	0.9
153.10390	3.4
154.08737	11.0
155.11916	0.8
157.13368	0.6
164.07166	65.5
165.07494	2.6
165.38916	0.6
171.11394	46.8
172.11711	1.2
216.13918	1.4
217.69991	0.7
233.16589	33.8
234.16853	2.7
249.50725	0.6
275.17703	4.9
277.15579	3.1
319.16617	100.0
320.16959	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	319.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80269	1.2
55.01877	4.5
57.03199	1.6
57.03454	18.7
59.01384	4.1
67.01890	1.4
69.76080	1.1
71.01387	9.6
72.99316	2.8
73.02943	3.8
75.00896	1.5
83.01379	13.1
84.02166	3.7
85.02949	100.0
86.03287	2.5
92.99099	1.4
101.02465	6.2
103.04008	1.5
111.00887	35.8
113.06097	3.1
129.01938	38.2
147.02951	3.0
152.03540	3.1
161.04488	3.2
171.18756	1.2
187.02538	1.6
197.37825	1.5
205.03520	35.4
223.04593	64.4
224.04921	2.4
247.07240	5.1
251.46725	1.4
319.09503	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	319.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.2
57.03448	19.8
59.01387	10.4
67.01864	1.3
68.99803	1.2
69.27552	10.9
71.01369	8.0
72.99308	2.4
73.02950	3.5
75.00869	3.1
83.01392	10.1
84.02184	3.5
85.02949	100.0
86.03265	1.8
87.00888	3.1
89.02434	2.2
96.71139	1.3
101.02447	10.3
111.00883	39.6
113.06091	2.7
129.01941	37.1
147.02977	2.1
147.26450	1.3
161.04567	3.7
187.02528	1.8
189.06955	1.5
205.03522	32.6
206.03813	1.8
223.04570	69.2
224.04941	3.6
293.59753	1.3
319.10483	2.3
319.13962	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	318.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	38.1
60.21538	13.1
61.98823	42.2
63.04308	13.1
63.47580	11.8
71.22591	15.5
71.22917	19.8
82.55975	10.9
85.52393	10.9
134.89510	22.2
136.89188	24.2
158.14943	11.1
177.12859	48.2
177.52827	12.1
177.68362	11.2
178.13116	14.8
318.21646	68.0
319.22751	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
60.34870	0.7
61.82720	0.7
67.19871	0.8
68.99574	78.8
69.99924	0.8
71.53024	1.2
87.71586	0.8
98.69202	0.7
100.08340	0.7
112.98571	100.0
113.98912	1.4
114.05589	1.1
130.08775	2.1
150.04292	3.8
176.98186	0.8
282.08438	2.1
283.08719	1.5
319.07513	2.9
319.13025	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	319.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
59.01376	2.5
69.50131	4.4
71.05028	8.5
83.01370	3.5
85.02951	2.6
95.05035	18.9
96.05392	0.6
97.02959	27.8
109.02960	15.1
115.04018	2.8
121.03004	0.8
129.01949	0.8
134.98550	0.6
137.02428	2.0
139.04021	65.6
140.04358	3.0
153.01945	30.3
154.02356	1.2
156.86536	0.6
165.01944	11.6
183.02994	100.0
184.03276	5.8
205.03604	0.7
223.04720	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.2
59.01371	2.5
59.89083	0.6
60.30333	0.5
61.98829	100.0
69.87880	2.0
71.01387	1.5
83.01392	0.8
85.02953	2.5
97.03003	0.6
98.19978	1.0
100.52173	0.6
101.02438	1.1
102.98597	1.6
109.06602	0.9
111.00904	1.4
111.28377	0.6
117.07302	0.5
129.01962	1.1
135.08173	1.2
135.91109	0.6
137.09746	1.3
138.06874	5.9
153.09216	14.4
154.09662	1.0
175.11284	0.7
193.12408	2.2
211.13405	5.6
223.04605	1.6
236.53271	0.5
241.05095	0.7
246.57690	0.6
255.12384	21.5
256.12772	1.8
271.09830	0.7
318.23148	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1347
Annotation	(2S)-(-)-7,8-Dimethoxyplatydesmine
Peak:m/z	Relative Intensity
53.39880	0.4
55.96592	0.4
56.42312	0.5
59.01369	0.6
61.98819	0.6
69.20706	1.6
69.21131	2.3
83.05023	1.2
88.76474	0.4
93.03442	1.2
98.03723	0.4
98.19827	0.6
99.04524	1.4
104.31467	0.5
108.14127	0.4
113.06087	8.3
121.02955	9.9
121.06603	14.0
122.03716	1.5
122.06934	0.9
123.04224	0.4
135.03282	0.6
135.08060	0.5
136.89154	0.5
138.01990	0.5
151.02756	36.6
151.35486	0.4
152.03548	3.9
164.03555	3.2
172.04015	1.9
174.05598	1.3
183.01723	18.8
184.02055	0.5
186.05644	0.8
188.07130	0.6
190.05099	4.7
191.05885	6.4
192.06696	2.6
204.06654	7.3
205.07498	2.7
216.06689	0.6
228.06662	6.2
229.06966	0.7
242.11852	1.8
258.11307	0.6
268.09885	0.6
286.10846	18.5
287.11136	1.4
318.13452	100.0
319.13800	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	317.1758
Annotation	CHEBI:70568
Peak:m/z	Relative Intensity
59.01376	7.6
61.98829	8.4
63.44801	1.7
64.91311	1.6
67.30051	1.8
71.54714	2.3
77.55975	1.8
78.91168	1.9
84.99115	2.0
130.04266	4.4
132.05797	8.1
137.09714	6.1
144.05815	1.9
145.06540	4.0
146.07388	25.8
146.96577	2.6
147.08167	22.9
159.08159	6.0
164.04820	5.0
178.06363	23.1
243.17531	19.8
244.17760	4.2
253.00110	1.7
255.17542	100.0
256.17834	10.3
269.15433	4.7
287.16565	38.7
288.16940	4.7
288.96799	1.9
292.39737	2.2
299.16492	46.8
300.16821	3.0
317.17584	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	317.2121
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
52.16655	0.2
61.98815	0.3
63.16478	0.2
71.45049	0.3
74.57761	0.2
103.79528	0.2
104.33439	0.2
109.95787	0.2
118.60176	0.2
139.00351	0.2
142.35774	0.2
196.49670	0.2
273.18677	0.2
317.21188	100.0
318.21530	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1758
Annotation	6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione
Peak:m/z	Relative Intensity
50.25747	1.1
59.01365	2.4
61.98811	1.8
78.95910	1.3
91.11409	1.0
96.96098	1.2
99.55090	1.2
111.00906	2.4
132.05817	50.5
132.82872	1.1
133.06291	1.6
139.00391	6.5
139.11264	2.4
145.06650	1.8
164.04794	32.4
166.99863	5.4
176.04805	3.2
201.11353	2.4
205.09119	1.1
208.03729	1.6
215.03430	2.5
229.08624	1.0
230.18279	1.3
243.17516	4.6
246.45474	1.4
271.17160	2.6
273.18613	77.0
274.04919	2.0
274.18924	6.7
302.04440	10.2
303.04730	1.4
317.06616	3.2
317.17575	100.0
318.17944	12.9
337.83206	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1758
Annotation	1-Dehydro-[8]-gingerdione
Peak:m/z	Relative Intensity
57.77329	1.2
59.01369	2.1
61.23639	1.2
61.98819	4.8
71.54688	1.4
79.60470	1.2
81.03462	1.7
83.01389	4.8
88.54459	1.3
97.23273	1.2
102.90371	1.3
115.92078	1.4
118.16036	1.4
137.02466	3.5
146.96626	2.9
147.08113	3.6
149.06070	1.5
163.40108	1.2
166.02750	7.8
171.08089	1.3
173.06183	1.3
179.03499	25.9
180.04082	1.5
187.07684	2.5
189.09232	8.9
190.09412	1.5
191.03471	10.1
191.07195	4.9
217.05136	2.2
219.06482	1.6
233.08183	85.5
234.08513	6.2
275.16446	1.9
317.17590	100.0
317.20990	4.8
318.17908	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	317.1755
Annotation	1-Dehydro-[8]-gingerdione
Peak:m/z	Relative Intensity
53.43503	0.8
59.01377	1.5
60.04695	0.7
61.98814	1.4
65.00308	0.9
69.49668	2.4
69.50090	3.0
78.95879	0.8
79.05550	1.5
81.03473	1.1
81.91547	0.7
83.01386	3.5
97.77740	0.7
101.82762	0.7
137.02496	2.3
140.76431	1.0
145.06575	1.0
147.08147	3.5
149.06067	1.8
150.03163	1.0
151.03998	1.5
152.99637	0.9
166.02663	1.1
173.06139	1.5
175.03886	0.9
179.03482	9.5
187.07654	1.7
189.09189	8.5
190.09990	0.9
191.03474	6.8
191.07120	4.9
193.05020	6.2
205.05084	1.3
215.07097	1.2
217.05081	2.4
219.06636	3.3
233.08165	64.7
234.08469	5.1
275.16495	3.4
317.17557	100.0
318.17874	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	317.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85180	2.6
55.88464	2.5
57.33205	2.8
59.01376	8.2
61.98829	18.8
65.00332	26.4
93.03512	3.0
95.01403	7.3
101.10564	2.8
107.05040	4.4
108.02138	3.4
110.00134	4.7
111.00924	18.3
113.06086	4.4
123.00903	6.1
124.04904	3.7
124.98866	3.5
130.04266	4.3
131.05016	4.5
135.08165	3.7
136.98795	7.9
139.00388	40.7
152.98346	4.2
154.04135	3.2
158.03734	100.0
159.04347	5.2
161.02444	81.6
164.98276	5.8
165.98981	4.7
166.99887	52.9
173.06071	32.8
175.03992	5.2
177.05630	19.3
185.02428	4.1
186.03229	30.5
189.01944	27.5
190.02716	20.5
201.05602	34.6
203.03542	9.4
203.07317	2.6
205.03273	4.6
205.05054	42.4
214.02765	7.5
215.03485	14.6
229.05077	9.8
230.05847	11.5
243.02823	3.8
245.04546	53.6
246.04874	3.8
257.04587	6.9
273.04059	9.4
274.04831	11.3
285.11377	3.4
289.07285	4.5
302.04446	69.9
316.19989	13.1
317.02502	26.3
317.06598	20.8
317.13904	12.0
317.17255	7.1
317.20602	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	315.1601
Annotation	11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone
Peak:m/z	Relative Intensity
59.01380	0.3
61.98833	0.2
65.36474	0.2
70.96360	0.4
78.95901	0.3
83.05037	0.4
86.94373	0.2
88.77776	0.2
89.84663	0.2
93.03448	0.3
100.17383	0.2
103.02773	0.2
104.25230	0.2
115.14770	0.2
121.02955	0.5
133.01930	0.4
133.02957	8.5
134.03755	4.4
135.04533	17.8
136.04845	0.7
137.02440	3.9
139.03995	1.3
140.04416	0.2
147.04477	0.2
148.05312	1.0
150.03204	0.4
152.99605	0.2
161.02448	22.7
162.02771	1.4
163.04025	0.3
164.98410	0.2
165.01935	0.2
178.02802	1.2
179.03505	12.5
180.03853	0.7
300.02655	0.4
315.16010	100.0
316.16342	10.8
316.19446	0.3
316.25812	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19911	1.4
55.01876	1.7
57.03446	1.8
59.01389	7.7
61.98817	2.9
69.26497	1.4
69.99062	2.9
69.99450	3.4
72.50152	1.6
78.68801	1.6
83.05015	3.5
97.49747	1.5
113.05356	2.9
113.06081	26.6
117.03457	4.8
119.05000	5.2
121.02939	2.5
121.06604	40.0
123.04522	1.8
134.89459	6.0
135.04507	2.8
135.08189	8.9
139.36819	1.6
145.02954	13.1
148.05298	30.9
149.06085	11.7
157.12341	2.3
161.04520	1.4
161.05995	2.9
162.03194	2.0
163.03972	1.7
164.44807	1.4
180.04262	33.3
187.13335	4.2
189.09177	5.5
201.09267	9.0
225.09071	7.8
239.14357	6.2
265.12238	2.1
271.17068	2.4
283.13406	42.4
284.13693	3.7
300.02634	2.9
301.03564	3.1
301.14355	6.0
315.05133	3.1
315.15967	100.0
315.25067	2.5
316.16364	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	315.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54190	0.7
59.01365	2.4
63.02512	0.8
73.03006	0.7
73.90858	0.7
78.41267	0.8
85.83210	0.8
98.20771	1.7
101.91424	0.8
109.71499	0.8
115.92036	1.0
117.03452	17.5
118.03777	1.0
119.05024	35.4
120.05399	1.0
121.02948	2.2
134.89485	2.6
145.02951	82.7
146.03271	2.9
147.04579	1.1
162.03220	1.5
163.04073	4.2
167.10721	1.0
169.12346	0.8
177.75868	0.9
179.79832	0.8
203.48848	0.8
229.29593	1.0
232.97607	0.9
241.31952	0.9
315.15985	100.0
316.16266	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	315.1599
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
59.01370	2.9
61.98829	1.5
71.38479	0.7
71.54563	0.8
81.03423	0.8
83.05022	1.9
83.09727	0.7
130.04208	5.7
134.89458	1.2
135.38977	0.7
141.86491	0.7
145.02951	1.4
146.03758	0.7
173.02461	3.9
174.03218	31.4
175.03589	1.8
206.02203	20.9
207.02519	0.9
213.05518	4.0
214.06233	2.1
215.16588	1.4
218.86559	0.7
315.15976	100.0
316.16357	10.8
325.68893	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1599
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
59.01376	0.4
69.90054	1.6
108.02193	0.4
130.04263	0.6
130.08414	0.4
145.02945	7.3
146.03687	1.4
161.02367	0.6
173.02434	3.5
174.03210	28.3
175.03569	1.5
178.02718	0.6
181.03850	0.3
206.02193	15.5
207.02548	0.7
213.05548	3.3
214.06262	0.8
263.58691	0.3
315.15994	100.0
316.16333	12.1
316.20047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1602
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
59.01380	1.9
65.00323	1.9
70.68748	1.9
85.02948	1.5
96.96019	1.1
107.01376	0.8
109.02950	0.8
110.00149	0.9
119.05016	2.5
121.02934	3.0
130.98238	0.7
131.05037	1.3
132.05823	42.1
133.06656	8.4
145.06602	2.9
149.02414	1.0
164.04800	29.6
165.01968	5.6
165.05084	1.8
171.08144	0.7
172.08971	0.8
173.09697	1.7
176.04753	4.9
183.10214	0.8
185.09750	2.5
201.12849	23.5
202.13223	1.8
208.03754	5.2
241.16016	2.3
243.17590	1.0
248.36142	0.8
253.15941	5.4
271.17038	38.0
272.17383	3.8
300.02682	2.9
315.01328	1.7
315.05075	9.8
315.15955	100.0
316.02133	1.1
316.05463	1.4
316.16254	10.8
338.58844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.7
59.01350	0.6
69.03455	15.7
69.24777	1.7
69.25200	3.5
71.05020	3.4
83.01312	0.5
83.05032	0.9
85.02947	1.3
86.85236	0.6
93.03447	1.0
107.15842	0.5
111.07501	0.6
111.08127	3.3
113.06068	1.9
123.08164	1.2
126.84281	0.6
127.48609	0.5
131.03513	1.4
139.11299	17.6
142.52722	0.6
146.08453	0.5
183.10254	100.0
184.10609	6.0
191.05608	0.7
197.11922	0.8
237.30173	0.6
294.46716	0.6
300.02713	2.1
315.05136	1.6
315.09546	1.0
315.14462	17.6
315.17712	0.8
315.63226	1.9
316.14786	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	315.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28293	0.4
57.03447	2.0
59.01373	0.5
69.03454	2.2
69.31232	2.1
69.31660	1.2
71.01388	0.6
73.02945	1.1
98.19962	0.8
103.92923	0.3
105.01669	0.4
111.08182	0.5
111.91458	0.3
119.07430	0.3
123.08165	1.4
125.06087	10.5
131.03520	3.1
133.70869	0.3
139.11304	2.8
152.01091	0.5
155.10878	0.5
166.37349	0.4
180.52481	0.3
183.10252	100.0
184.10608	6.0
199.09724	0.5
275.86600	0.4
315.14563	3.5
315.17862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59917	0.8
52.86631	0.6
57.03450	5.0
59.01389	0.8
64.96027	0.6
69.03460	11.5
71.05018	2.3
73.02953	2.4
89.83002	0.7
98.20683	1.8
103.04012	1.4
111.08170	3.0
113.06102	2.4
116.27579	0.7
123.08163	1.2
131.03481	2.8
139.11308	19.5
140.11653	1.1
144.53906	0.7
167.73936	0.8
183.10263	100.0
184.10622	5.3
315.14471	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.4
59.01377	1.2
68.99822	1.1
69.03453	13.2
69.26068	5.6
71.01367	0.8
71.05021	3.4
73.02998	0.9
84.68212	0.7
107.01407	1.0
111.08145	2.5
113.06075	1.8
123.08179	1.4
131.03490	1.0
132.04527	1.9
139.11296	18.5
150.05592	1.0
151.55853	0.7
152.07170	1.1
169.12408	0.8
183.10262	100.0
184.10573	5.9
223.01825	0.7
261.62747	0.8
297.12653	0.8
315.14359	3.4
315.18167	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1087
Annotation	Taxicatin
Peak:m/z	Relative Intensity
57.03442	0.3
58.00619	0.3
59.01387	3.0
65.03969	0.3
67.01909	0.3
69.70806	1.8
71.01386	2.3
75.00886	0.3
75.56096	0.3
83.01405	1.0
85.02953	3.2
86.03291	0.7
87.03391	0.6
87.74055	0.3
89.02450	1.3
91.01904	0.7
93.03477	0.5
93.15374	0.3
95.01381	0.4
95.05050	0.5
101.02483	0.9
107.05067	0.5
108.02172	2.0
109.02968	5.5
110.03279	0.4
111.00894	1.1
113.02447	0.4
118.98103	0.3
119.03458	0.5
120.99648	1.3
121.03018	0.5
122.03752	0.5
123.04530	67.4
124.04859	1.9
124.50285	0.4
128.92889	0.3
134.03734	0.4
135.04532	2.2
137.02469	0.6
143.45995	0.3
147.02939	0.6
151.04015	0.4
152.01140	1.3
153.02011	7.4
153.05579	100.0
154.05908	4.1
167.03488	4.7
179.05597	0.4
315.07196	3.3
315.10880	4.9
316.11087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18501	0.7
54.53948	0.6
59.01371	2.9
69.03428	1.0
69.58742	1.5
69.59152	3.2
70.42905	0.7
71.01375	1.4
73.02949	1.7
85.02920	1.1
87.89570	0.9
108.02158	1.1
121.10235	7.8
121.59521	0.8
131.03467	1.5
153.09230	1.4
155.10754	2.7
165.09235	2.4
177.56206	0.7
183.10258	100.0
184.10611	7.1
185.11824	11.4
195.13828	0.8
199.09790	0.8
271.02414	1.4
272.02701	0.7
273.17197	1.2
299.72104	0.9
300.02670	2.1
315.01703	0.8
315.05054	3.1
315.14450	3.6
315.18143	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1087
Annotation	Taxicatin
Peak:m/z	Relative Intensity
61.65407	0.3
66.68626	0.4
70.33167	0.3
70.96217	0.6
70.96532	0.4
71.01394	0.7
75.23986	0.3
81.03506	0.4
85.02962	0.7
87.00880	0.4
93.03486	0.5
95.05000	0.4
97.63055	0.3
108.02161	0.7
109.02964	3.6
110.03256	0.4
110.77803	0.3
111.00903	1.2
122.03764	1.0
123.04531	63.4
124.04852	2.5
135.00888	0.4
137.02469	0.7
152.01222	0.4
153.02069	3.1
153.05580	100.0
154.05925	4.2
167.03528	2.8
177.03992	0.5
235.28848	0.3
275.61075	0.3
315.07138	2.3
315.10840	3.5
316.07678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1086
Annotation	3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.41702	0.4
56.97922	0.3
59.01376	2.5
65.03967	3.1
67.01886	1.0
69.64645	2.5
71.01382	1.6
73.02972	0.4
75.00851	0.6
77.76591	0.4
78.22454	0.4
85.02951	1.6
89.02443	0.7
97.44053	0.4
101.02418	1.1
108.02163	0.5
109.02950	44.5
110.03288	1.6
113.02473	0.5
120.99638	0.6
121.02985	0.5
122.03771	0.6
123.04524	69.7
124.04851	3.1
135.00867	2.5
135.04544	1.5
139.00462	0.5
153.01952	30.8
153.05569	100.0
154.02306	1.7
154.05893	4.3
161.04608	0.6
167.03482	0.6
198.48654	0.4
210.07657	0.6
274.64554	0.5
315.07166	15.0
315.10870	3.7
316.07587	1.5
316.11081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77438	0.5
62.21838	0.6
71.01379	1.8
71.52682	1.0
81.03452	1.2
83.01380	0.7
85.02950	1.6
93.03463	0.7
95.01399	0.9
95.39037	0.5
95.44938	0.5
99.21497	0.5
101.02459	1.0
107.23419	0.6
108.02171	100.0
109.02969	35.0
110.03229	0.9
117.05547	1.6
121.02972	1.0
151.03981	1.6
152.01144	62.7
153.01933	36.3
154.02264	1.4
163.04010	1.3
165.01939	1.9
187.15576	0.5
225.72318	0.6
245.93925	0.7
315.07202	85.5
316.07581	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	315.0876
Annotation	3,5,7-Trihydroxy-4'-methoxy-6-methylflavanone
Peak:m/z	Relative Intensity
50.88134	1.2
54.56618	1.4
54.62664	1.1
55.15184	1.3
59.01367	5.6
59.97956	1.3
61.98829	1.5
65.00331	2.4
77.03577	1.2
77.03961	6.9
79.01897	18.8
85.58241	1.2
91.83525	1.3
97.02930	5.2
98.20665	2.8
108.02159	3.9
113.06090	3.7
118.52934	1.3
121.02958	19.7
122.03718	4.8
123.04543	1.4
131.18997	1.4
134.03740	33.8
135.04507	4.1
137.02467	1.8
147.04485	1.4
149.02419	2.2
149.06078	24.3
150.03207	7.7
150.06535	1.6
165.00540	2.6
165.01933	46.9
166.02237	1.3
178.02751	7.2
179.03432	2.6
183.02959	1.8
191.03586	6.6
191.04941	1.3
210.01736	6.0
256.14697	1.5
283.13342	4.3
300.02710	3.7
315.05179	6.6
315.08719	100.0
315.16052	3.6
316.05624	1.5
316.09109	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	315.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25016	0.7
59.01373	0.9
69.42287	3.9
69.42692	1.7
71.01380	2.6
73.02929	0.7
76.19951	0.6
81.03448	1.1
85.02950	2.1
85.52856	0.8
95.01376	1.2
97.02941	0.9
101.02411	0.8
105.47873	0.7
108.02172	100.0
109.02968	55.1
110.03292	2.4
110.87965	0.7
112.75984	0.7
113.02454	1.0
119.31983	0.6
121.02983	1.1
123.00880	1.3
123.04543	3.5
135.00923	0.9
135.02989	0.7
139.14833	0.7
148.06848	0.7
151.03963	1.6
152.01146	72.0
153.01938	51.3
153.05568	3.1
154.02248	3.1
163.04082	1.0
165.01938	1.8
170.21432	0.7
173.04489	0.9
225.04150	1.0
278.44928	0.7
315.07193	95.6
316.07541	7.6
319.55573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
53.21839	0.6
56.47289	0.6
59.01386	0.9
60.67765	0.7
62.53956	0.7
68.69958	0.6
71.01372	1.8
71.21643	1.3
75.93161	0.6
79.01903	0.7
81.03453	1.0
82.67572	0.7
83.01408	0.8
85.02943	2.4
93.03472	1.0
95.01372	1.1
101.02453	1.0
108.02170	100.0
109.02983	28.9
110.03257	1.2
113.02439	0.8
117.05574	1.6
121.02950	1.6
123.04517	0.8
132.93481	0.7
133.02939	0.8
151.03963	1.9
152.01146	68.3
153.01944	24.3
163.04047	1.1
165.01945	1.8
290.49286	0.8
315.07193	86.0
316.07532	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01370	2.2
61.32475	0.7
71.01383	1.7
71.53060	1.2
73.02954	0.9
75.00825	1.0
81.03437	1.1
85.02953	2.3
88.72997	0.7
101.02438	0.9
108.02171	100.0
109.02979	40.9
110.03282	1.5
113.02466	0.9
120.34834	0.9
123.04519	1.3
151.03990	2.0
152.01146	68.8
153.01944	33.9
154.02261	1.5
155.35988	0.7
163.04074	1.8
165.01869	1.7
236.79597	0.8
315.07208	93.2
316.07571	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84168	0.9
59.01384	6.4
61.98820	2.6
66.48643	0.8
71.01385	1.3
73.04089	1.1
74.02467	1.1
74.99097	12.1
79.40768	0.9
81.03460	0.9
83.01376	1.8
83.21513	0.8
84.00871	1.3
85.02933	1.0
87.00863	1.4
88.04028	2.5
96.04572	1.8
96.96002	3.6
97.02919	1.1
98.02457	1.2
101.02463	0.9
105.05646	0.8
107.05047	1.4
108.02148	1.5
109.02948	2.3
112.04027	2.2
117.97315	3.2
118.98084	100.0
119.98422	2.4
120.99652	10.5
123.04497	2.4
125.02460	6.4
130.08733	7.1
131.34470	1.1
134.03752	3.0
135.04538	1.3
143.11858	5.1
149.04755	0.9
149.06056	1.8
152.01215	1.1
153.00145	3.5
153.01947	12.7
166.01460	0.9
167.01878	0.8
167.03479	2.9
169.03331	1.2
209.12991	1.3
226.78487	1.0
227.85527	0.8
237.14948	1.0
253.11993	3.9
269.11441	2.6
292.80356	0.9
297.10782	2.4
315.07419	3.8
315.11844	7.5
315.20969	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	315.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	4.9
61.98832	5.6
71.01380	1.9
71.53999	1.1
71.54455	0.8
73.02938	1.1
74.02461	1.5
74.99097	12.0
75.00890	1.4
81.03423	0.7
83.01360	1.0
85.02985	0.7
85.85939	0.7
87.00896	1.4
88.04065	3.6
89.02386	0.9
96.04567	1.1
96.96009	2.0
97.51712	0.9
98.02480	0.9
108.02172	2.1
109.02932	1.5
111.04565	0.7
114.05577	0.8
117.97322	2.5
118.98085	100.0
119.98417	1.3
120.99670	9.6
123.04523	1.3
124.01650	0.7
124.60824	0.9
125.02464	5.6
125.06005	0.7
130.08716	5.1
134.03743	2.0
143.11945	4.6
149.06055	2.0
151.04022	1.8
151.07639	0.8
152.01161	0.9
152.04234	1.1
153.00168	3.5
153.01921	12.0
153.04596	0.8
154.00925	1.0
156.02975	1.0
167.01781	0.8
167.03500	5.0
169.03267	1.9
183.02985	0.8
187.10788	1.0
194.48000	0.8
209.13023	1.0
213.83203	0.8
227.96115	0.8
231.05878	0.7
253.11961	2.1
257.07632	0.8
269.11554	2.3
297.10873	3.1
300.02914	0.9
314.20898	1.3
315.07370	3.3
315.11905	6.9
315.21152	1.2
316.17993	0.8
336.90503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0513
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
59.01363	2.6
61.98804	0.7
63.02401	5.8
65.00329	7.4
70.15797	0.8
70.73265	1.7
71.01366	1.9
73.02992	0.9
83.01397	6.2
84.04502	0.8
85.06580	3.1
93.03493	0.9
95.01331	1.0
96.99310	1.2
99.05458	0.8
100.11921	0.8
101.02449	0.9
101.04308	9.1
101.46342	0.7
107.01391	8.7
108.02213	1.6
110.00059	3.4
111.00887	1.3
118.04373	0.7
123.00869	0.8
124.01667	2.4
135.00751	0.9
136.01665	1.2
137.99596	1.0
139.00362	3.4
139.03978	2.4
148.01659	3.7
149.02463	5.2
149.99559	2.0
150.99211	1.1
151.00371	19.0
152.01089	1.7
153.01949	1.2
161.04507	1.0
162.02278	2.5
163.00331	2.9
164.01180	5.8
164.98303	5.2
165.99022	2.6
169.01393	1.0
171.04453	1.2
175.00253	1.1
187.04071	1.0
187.11595	1.4
198.03140	0.9
199.03947	2.0
215.03470	1.9
215.09334	0.8
216.04245	1.0
222.07042	0.7
227.03444	2.5
229.01099	0.8
243.02965	4.0
244.03738	1.2
255.02895	3.3
271.02527	5.8
272.03091	1.2
283.02460	3.8
285.00357	1.2
287.02026	1.2
299.02020	1.8
300.02747	79.7
301.03183	6.1
315.01431	17.0
315.05029	100.0
315.15811	2.7
316.01974	1.3
316.05383	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	315.0508
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
59.01369	0.6
63.02094	0.5
63.02401	6.1
65.00327	3.1
70.94041	0.6
70.94378	0.4
71.01360	0.4
73.85495	0.3
83.01380	5.0
85.02931	1.0
86.03338	0.3
86.43967	0.3
87.04501	3.7
93.03452	0.7
95.01394	0.5
107.01392	11.8
108.02198	2.6
109.02938	0.6
110.00100	0.5
111.00858	0.5
115.03992	0.3
119.05002	0.3
120.02177	0.5
123.00853	0.7
124.01651	2.6
135.00883	0.9
136.01654	1.2
137.02434	0.4
139.00337	0.6
139.04076	0.4
146.03725	0.3
148.01680	4.5
149.02409	0.6
149.99579	2.1
151.00363	17.2
151.96222	0.3
151.97812	0.3
152.00955	1.3
155.10811	0.3
161.02390	0.6
163.00348	2.6
164.01140	6.1
164.98206	0.4
169.01393	0.9
171.04553	0.4
172.05234	0.5
173.04512	0.4
175.04086	0.4
176.88174	0.4
183.04573	0.5
183.10185	0.6
185.11829	0.5
187.03894	0.4
189.01933	0.8
192.00659	0.4
199.04044	0.8
199.11250	0.4
199.72563	0.3
202.02751	0.5
203.03424	0.4
204.04301	0.4
211.04034	0.6
215.03427	1.1
216.04210	1.4
226.02727	0.8
227.03493	3.3
228.04199	0.8
230.02081	0.5
239.03424	0.4
243.02969	2.3
244.03679	1.0
245.80768	0.4
255.02997	3.1
256.03769	0.5
271.02441	5.0
272.03049	1.9
283.02481	3.4
299.02127	0.9
300.02737	100.0
301.03067	8.7
310.08264	0.5
312.74414	0.3
315.05090	72.4
315.18274	1.6
316.02176	0.2
316.05463	6.1
325.10892	0.7
326.11209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0431
Annotation	3'-O-methyltricetin(1-)
Peak:m/z	Relative Intensity
54.01956	0.2
59.01350	0.2
60.94030	0.2
65.00328	7.4
66.00650	0.3
67.22063	0.2
68.99802	0.6
70.82952	0.6
72.80518	0.2
72.99290	0.4
77.03968	0.2
78.64165	0.2
82.00614	0.5
92.99805	1.0
95.01377	0.6
95.05018	0.6
96.99321	1.5
105.03455	0.9
107.01363	0.7
108.99285	0.5
110.00101	18.2
111.00391	0.4
117.03456	0.5
119.05006	0.3
120.99306	0.9
122.00115	0.2
122.61111	0.2
123.00855	0.6
123.04531	11.4
124.04929	0.2
124.98773	0.5
125.99586	0.2
129.03459	0.5
131.05037	0.3
133.02962	12.3
134.00073	0.5
134.03300	0.4
135.00844	0.5
136.98813	5.7
137.99599	4.2
141.03514	0.4
141.99072	0.6
143.05028	2.1
145.02945	0.9
147.04535	0.2
149.02390	0.5
149.99580	2.6
151.00352	1.0
154.04257	0.4
155.05017	1.6
156.02145	0.9
157.02960	0.2
158.03627	0.2
159.04524	1.5
164.98294	19.2
165.99080	19.4
166.99425	0.6
167.05063	0.3
171.04504	3.7
172.04906	0.2
173.02429	2.9
175.03969	0.3
177.99069	2.2
178.99847	1.7
182.03677	0.7
183.04515	8.7
184.04790	0.6
185.02386	0.8
187.03999	1.0
188.04707	0.3
197.02417	0.3
198.03137	0.4
199.04004	4.9
200.04291	0.3
201.01884	1.5
203.03601	1.1
205.98590	1.3
210.03149	0.3
211.04004	0.6
215.03508	6.9
216.04172	1.4
217.04965	0.3
220.03879	0.3
226.02705	1.5
227.03494	8.1
228.00648	0.7
228.03862	0.7
229.01393	1.7
230.05876	0.5
231.02982	0.5
241.05167	0.4
242.02158	0.9
243.02963	5.2
244.03297	0.3
253.01436	0.3
254.02112	1.1
255.02982	7.0
256.03314	0.4
257.04520	0.6
258.05292	0.4
269.04675	1.2
270.01669	0.4
271.02484	12.4
272.02908	1.1
285.04156	0.5
297.04248	0.4
299.01971	50.8
300.02368	4.1
300.06116	0.5
314.04324	100.0
315.04724	9.7
315.08633	0.9
315.15991	0.6
315.19604	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
53.27486	0.9
58.00590	2.0
59.01379	4.4
61.98834	2.1
62.75093	0.8
67.48003	0.7
68.58996	0.8
71.08767	1.6
80.30300	0.7
85.02959	1.1
96.76653	0.9
99.08158	16.9
101.02345	0.9
108.02191	0.9
116.92831	2.8
121.02974	2.3
127.07631	3.3
129.08322	1.5
129.09233	18.4
183.13893	38.2
184.14246	1.3
187.03778	0.9
193.75131	0.9
195.13870	3.0
201.11360	0.9
270.01617	1.9
277.21716	3.4
295.22775	6.8
296.23050	1.1
299.01947	1.0
313.03778	1.5
313.07156	1.2
313.23846	100.0
314.04254	1.5
314.24152	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	313.1446
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
58.48219	0.4
59.01397	0.4
65.85257	0.3
71.29481	0.7
93.03466	1.3
104.50061	0.4
106.04258	1.3
109.02962	0.9
111.00888	0.5
116.08781	0.4
121.02963	3.9
133.02956	11.4
134.02245	0.4
134.03751	29.4
135.04539	48.5
136.04837	2.1
137.02449	24.7
138.02760	1.0
139.04018	6.6
150.03224	2.4
161.02467	3.2
165.01944	0.8
178.02713	10.6
179.03506	42.5
180.03841	1.3
206.89278	0.4
207.96751	0.3
211.89667	0.4
239.10747	0.5
242.80560	0.3
256.73337	0.4
269.15442	1.0
277.48615	0.3
313.14447	100.0
314.14798	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	313.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	7.0
57.03460	6.8
57.03709	1.3
58.00593	4.5
59.01383	79.2
61.98830	2.2
62.90566	1.4
69.03451	1.4
69.36882	7.0
69.37289	2.7
71.01389	100.0
72.19137	1.4
72.99301	3.8
73.02955	25.0
75.00861	1.9
81.12405	1.2
83.01395	14.7
85.02956	45.7
87.00877	5.0
89.02454	43.4
89.03016	1.7
95.01385	8.9
97.02988	1.8
99.00873	12.8
101.02453	74.6
102.02793	1.5
108.02193	3.3
110.52467	1.3
111.48895	1.2
113.02459	41.7
119.03511	17.0
125.02433	2.0
143.03497	3.9
159.02991	8.0
161.04578	23.2
164.98268	1.7
183.10323	1.5
206.08183	2.8
231.43079	1.5
270.01587	1.9
271.02502	2.4
296.71350	1.3
299.01947	3.7
313.03461	2.6
313.16611	4.7
314.04221	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	313.1445
Annotation	Ferulagol A
Peak:m/z	Relative Intensity
59.01368	1.5
61.98829	1.3
83.48453	0.5
85.06569	0.6
98.20760	0.7
108.02161	1.0
111.50489	0.5
121.02924	1.0
130.04257	1.6
145.02960	10.9
145.04105	0.6
146.03687	1.5
173.02411	5.1
174.03217	35.3
175.03583	2.4
178.02687	1.5
178.99911	0.6
187.03902	0.5
195.13995	0.9
206.02200	26.0
207.02571	1.4
213.05574	2.7
213.14948	0.8
214.06364	1.3
227.07071	1.6
229.08734	1.8
255.10303	2.1
313.03580	1.6
313.14447	100.0
314.14764	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	313.1444
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
59.01381	2.0
61.98830	3.3
71.54317	1.0
83.05053	1.1
108.02133	1.3
109.02955	1.0
112.98778	1.2
117.15353	0.8
118.04263	1.0
132.02129	1.0
145.03006	1.2
161.02383	1.4
181.06659	1.2
185.06018	1.8
189.01956	4.3
189.47249	1.0
190.02686	3.0
198.06874	1.5
199.05876	1.9
199.07646	29.0
200.08218	1.4
203.03429	2.6
225.05479	1.7
227.07019	5.3
229.05034	10.9
230.05650	1.1
243.06606	28.7
244.07326	8.7
276.06281	1.4
295.76822	1.0
313.03406	2.7
313.14444	100.0
313.23642	4.5
314.14780	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	313.1445
Annotation	Ferulagol A
Peak:m/z	Relative Intensity
58.41257	0.2
59.01377	0.5
63.53585	0.2
72.79517	0.2
85.02979	0.4
121.02929	0.5
136.05249	0.3
145.02974	2.5
146.03737	0.7
169.06602	0.3
173.02379	1.3
174.03212	11.4
175.03731	0.6
178.02658	0.6
183.08133	0.8
187.04054	0.7
194.50131	0.2
206.02200	6.9
207.02501	0.4
213.05539	2.6
214.06178	0.4
227.07130	1.8
228.07880	1.8
256.23013	0.3
260.06921	0.3
270.01740	0.5
271.02036	0.4
295.13315	0.4
313.14456	100.0
314.14786	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	313.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59035	0.4
57.03437	1.5
59.01384	12.6
68.99821	0.7
69.03471	0.7
70.85594	0.8
71.01379	4.3
73.02935	1.3
81.03477	0.8
83.01388	0.5
85.02955	16.4
93.03443	0.4
95.01398	5.0
99.00883	0.8
101.02459	1.6
103.36399	0.4
105.40901	0.4
107.05025	1.6
108.02180	100.0
109.02967	80.3
110.03294	2.7
113.02425	1.2
121.02957	1.4
123.00886	4.6
123.04486	0.8
128.03212	0.4
129.01939	0.6
133.03009	0.5
135.04489	0.6
147.03015	1.4
151.04025	4.1
157.24828	0.4
159.03021	0.5
161.04588	1.9
163.04018	1.2
171.41313	0.4
191.01979	2.2
203.05649	1.0
209.93379	0.4
253.07295	1.0
313.09344	0.7
337.45798	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.6
59.01381	13.5
68.99798	1.0
69.03423	0.6
71.01389	4.9
71.28986	1.0
73.02948	1.8
83.01389	0.9
85.02955	22.5
87.00880	0.8
95.01381	5.1
96.04657	0.5
99.00933	0.7
101.02468	2.8
107.05019	2.4
108.02177	100.0
109.02966	74.1
110.03291	1.7
113.02454	1.8
121.02946	1.8
123.00889	5.3
123.04476	1.1
125.00439	0.5
129.01944	0.8
133.02979	0.9
135.04466	1.2
147.02988	1.5
151.04016	4.1
156.89526	0.6
161.04565	2.4
163.03979	0.8
188.52603	0.5
191.02013	2.0
193.05289	0.6
203.05597	1.1
229.08124	0.6
253.07176	1.8
258.32446	0.6
284.96225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99554	0.4
55.01865	0.4
57.03441	1.1
59.01377	12.1
68.65768	0.4
68.99825	0.5
69.03449	1.0
70.85569	0.8
70.85944	0.6
71.01379	4.0
73.02949	0.9
76.18456	0.4
79.01890	0.4
81.03450	0.6
82.83594	0.4
83.01404	0.9
85.02955	12.1
93.03456	0.5
95.01387	4.2
99.00907	0.8
101.02458	1.2
107.05027	1.0
108.02177	100.0
109.02963	81.4
110.03306	2.4
113.02453	1.3
121.02934	0.9
123.00874	3.9
123.04540	1.2
129.01944	0.8
129.75462	0.4
133.02977	0.4
135.04517	0.7
147.02983	0.8
151.03986	3.2
156.55803	0.3
161.04555	1.3
163.04045	0.9
191.02003	1.1
203.05557	0.6
225.94257	0.4
253.07208	0.7
263.26361	0.4
338.69699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0928
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
55.01880	4.9
57.03439	13.8
59.01377	16.6
61.98813	2.8
63.49017	1.5
71.01381	49.2
71.29800	2.7
72.99303	3.9
73.02946	17.0
75.00864	9.1
80.94939	1.6
83.01383	5.7
84.02145	2.5
85.02950	92.6
86.03294	2.7
89.02460	3.0
93.03431	4.0
93.70677	1.5
95.01366	6.6
98.83049	1.8
99.00860	5.5
101.02439	26.6
106.04253	11.5
107.05029	100.0
108.02174	3.5
108.05329	2.3
111.00880	2.3
113.02450	18.8
121.02943	7.0
121.63752	1.5
123.04537	2.3
129.01906	7.0
138.03180	1.9
147.02988	9.2
151.04005	77.9
152.04289	4.1
159.02933	3.5
161.04549	13.4
181.05020	2.6
181.65002	1.6
191.01959	12.1
313.05774	1.7
313.09341	3.4
313.12872	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	313.0716
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
59.01390	0.6
59.49053	0.3
62.17241	0.3
69.70245	1.7
71.04693	0.2
73.02910	0.3
93.03480	0.4
96.12979	0.3
98.19987	0.5
104.40896	0.3
121.02952	100.0
122.03292	3.7
130.04262	0.4
132.64894	0.3
137.00174	0.3
174.03214	2.4
180.05814	0.9
181.06573	4.7
182.06833	0.3
206.02145	1.9
213.05510	0.4
225.05563	6.5
226.05847	0.7
227.07109	0.3
228.07846	0.5
241.79805	0.3
253.09349	0.5
313.03879	0.7
313.07153	18.0
313.14423	11.6
313.23715	0.3
314.07346	1.8
314.14603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
52.67717	0.9
56.77544	0.8
59.01381	2.0
59.45241	0.8
61.98820	1.2
74.99068	1.0
78.95918	1.4
85.02951	1.0
87.37678	0.8
91.02184	2.8
96.34374	0.8
106.05528	0.9
108.02161	2.0
117.03441	1.4
135.00836	1.4
141.03409	1.0
145.02902	0.9
151.00401	0.8
154.04184	2.0
156.02168	1.2
168.17789	0.9
171.04469	1.0
183.04465	2.9
185.11845	1.5
186.03128	3.2
197.02290	0.9
198.03189	1.3
211.03918	4.7
214.02602	1.6
226.02692	1.6
227.03477	3.4
242.02119	2.8
255.02974	48.3
256.03281	3.8
270.01672	11.7
271.01999	1.7
283.02478	100.0
284.02823	7.3
285.03925	3.1
295.22629	1.9
298.04800	65.6
299.05185	6.4
313.03476	11.0
313.07080	55.4
313.10236	0.9
313.10931	1.8
313.14462	3.2
313.23779	6.3
314.04196	1.4
314.07462	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	313.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79729	1.5
58.02680	1.6
58.02975	52.7
59.01376	4.1
61.98832	67.7
70.05357	4.1
81.52514	1.8
109.02936	4.9
111.08009	1.7
149.04558	2.0
151.04970	4.1
160.36938	1.5
164.07178	26.4
199.90486	1.8
206.08211	100.0
207.08536	6.9
209.31056	1.6
234.62708	1.5
248.92528	1.7
250.07175	1.9
264.42157	1.6
293.36511	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	313.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08336	1.5
56.82337	1.8
58.02975	47.0
59.01372	2.6
61.98829	66.7
70.40160	1.8
71.46223	3.5
103.73850	1.5
109.02947	8.3
142.18658	1.8
147.44968	1.6
164.07146	32.1
206.08203	100.0
207.08510	8.6
250.07251	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	313.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32243	0.8
55.01875	2.1
57.03451	13.8
59.01381	18.9
68.99792	0.7
69.80384	3.6
71.01380	6.9
72.99324	1.8
73.02959	2.2
75.00878	1.7
83.01389	2.2
84.02161	2.4
85.02952	100.0
86.03291	1.9
87.00875	0.9
90.32371	0.7
95.01393	3.3
98.19919	1.0
101.02444	3.4
103.00376	1.4
107.05047	2.6
108.02175	79.4
109.02961	55.1
109.09871	0.7
110.03297	2.1
111.00873	1.1
112.04021	0.8
113.02433	1.1
121.02957	10.2
123.00884	3.7
123.04539	1.0
129.01949	5.3
133.02974	0.7
135.04558	1.4
147.02995	10.8
151.03958	2.7
156.89455	2.0
161.04607	1.2
170.07147	0.7
191.01967	11.9
276.55045	0.8
313.05673	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	313.0354
Annotation	2,3,8,10-Tetrahydroxy[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one
Peak:m/z	Relative Intensity
53.00294	0.6
59.01375	1.2
60.32277	0.6
60.47841	0.6
61.98835	4.6
65.00303	1.5
65.34251	0.8
71.44910	1.2
89.37766	0.6
104.39516	0.8
108.02174	1.6
117.03456	1.0
121.02933	1.2
122.00078	0.9
123.60750	0.6
130.04277	1.5
132.02171	1.5
134.00104	1.3
141.03427	0.8
145.00412	0.7
145.02956	3.7
149.99605	2.1
154.04254	10.4
155.04631	0.7
156.01018	1.0
156.02184	12.0
157.02591	1.2
158.03769	3.9
169.02925	2.9
170.03777	6.0
171.04309	1.0
173.02423	2.8
182.03731	4.0
183.01295	0.9
185.02461	0.7
185.06071	0.7
186.03210	13.4
197.02399	3.2
198.03233	10.3
213.02034	1.4
213.05594	1.3
214.02698	5.5
225.01839	1.5
226.02705	9.3
229.05011	4.2
241.01407	2.5
242.02222	28.9
243.02493	1.5
253.09084	0.8
254.02226	2.2
257.00983	2.1
257.04550	2.4
269.00974	0.8
269.04556	0.9
270.01688	100.0
271.02048	7.7
285.04041	25.9
286.04401	2.6
298.01193	7.6
299.01520	0.9
313.03540	80.8
314.03864	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	313.0354
Annotation	2,3,8,10-Tetrahydroxy[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one
Peak:m/z	Relative Intensity
53.85414	0.4
59.98437	0.4
61.98805	0.5
65.00309	1.7
68.99789	0.7
69.39683	2.1
69.40092	0.7
75.49366	0.4
89.00277	0.6
103.08230	0.4
108.02148	1.4
110.00098	0.4
112.65463	0.4
116.02721	0.5
117.03440	1.2
120.99294	0.8
121.02928	0.6
122.00073	1.0
124.73686	0.4
128.02672	0.4
129.03470	0.4
130.04218	1.7
132.02156	2.0
134.00084	1.6
136.98749	0.5
141.03470	1.6
142.04239	1.1
145.02954	3.5
146.03677	0.4
148.98775	1.1
149.99564	1.9
154.04248	12.2
154.49709	0.4
155.04616	0.8
156.02182	12.4
157.02515	1.3
157.06592	0.4
158.03734	4.1
161.02309	0.5
164.98322	0.5
169.02946	4.0
169.06596	0.6
170.03720	6.6
171.04492	0.6
173.02470	2.5
174.03191	0.6
175.00334	0.8
176.98271	0.7
182.03716	4.5
185.02580	0.6
185.06158	0.7
186.03223	13.1
187.03596	0.8
197.02428	3.6
198.03230	11.6
199.03618	0.6
201.02098	0.4
202.02623	0.7
203.07016	0.5
204.97627	0.6
213.01990	2.1
213.05516	1.4
214.02730	8.5
215.03078	0.8
225.01904	1.4
226.02739	9.9
227.03003	0.8
229.05032	4.8
241.01453	3.1
241.05093	0.7
242.02213	34.1
243.02547	2.4
254.02180	2.1
257.00870	1.2
257.04620	2.4
269.00961	1.4
269.04587	0.7
270.01691	100.0
271.02069	8.4
283.02362	0.7
285.04059	25.6
286.04364	2.7
298.01233	7.0
298.04568	0.8
299.01544	1.0
313.03546	78.8
313.13971	1.9
313.23932	1.7
314.03922	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	311.223
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01373	6.4
61.98825	2.7
68.09343	0.8
69.21257	7.5
73.02913	0.8
82.65245	0.7
89.02429	1.5
97.06660	0.9
113.09718	1.0
129.22444	0.8
135.04530	1.8
149.04555	4.6
167.14406	3.2
171.10355	1.2
183.01244	3.2
183.13866	1.9
195.13890	10.4
211.13454	1.4
213.14993	1.0
231.80247	0.8
247.17007	0.8
249.22182	1.0
251.11438	1.0
275.20212	1.0
293.21182	7.1
303.12527	1.0
311.13095	3.3
311.16693	5.9
311.22260	100.0
312.17236	1.1
312.22571	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	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03450	0.7
59.01382	5.9
61.98823	1.2
71.09935	1.3
76.84308	0.5
89.02396	0.6
102.74224	0.6
135.04535	0.7
141.90411	0.6
149.04565	2.7
183.01265	3.1
184.01599	0.5
197.02753	1.9
249.22234	50.9
250.22588	5.3
251.11406	0.7
267.23486	1.4
293.21231	20.7
294.21570	1.7
311.17035	12.0
311.22266	100.0
312.17255	0.7
312.22614	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.37668	0.8
56.35388	1.0
57.03432	1.6
64.39336	0.9
70.54592	1.2
70.54930	2.5
81.80307	1.2
106.54685	1.2
121.10218	1.3
123.08218	1.1
125.09706	2.9
127.11320	5.2
139.11299	16.3
140.11678	1.0
155.10777	2.9
171.10263	70.4
172.10558	3.9
183.10194	6.2
185.11821	15.9
201.11305	11.0
249.22261	2.0
275.20053	6.5
293.21198	24.3
294.21353	1.9
311.22260	100.0
311.74213	1.1
312.22635	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	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.85767	0.9
56.22387	1.1
57.03435	2.2
58.56771	1.0
59.01386	12.5
61.98825	2.6
69.03442	1.0
70.76178	2.7
80.00435	1.1
87.63306	1.0
96.07714	1.0
99.08208	1.2
109.52146	1.0
125.09711	1.1
127.11285	4.2
129.09216	3.0
139.11282	6.8
140.86813	1.1
149.04524	3.0
160.31152	1.1
169.12448	1.1
171.10287	35.0
172.10565	1.4
181.12315	1.6
183.01187	3.5
183.10211	1.8
185.11800	5.8
197.11830	4.3
199.13347	2.1
201.11336	7.3
211.13437	8.2
265.21490	1.3
275.20145	2.3
293.21262	14.9
311.16614	3.8
311.22284	100.0
312.22623	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.4
59.01388	6.1
69.03443	1.0
69.81661	3.1
71.05016	0.9
74.29823	0.6
83.05045	1.7
91.69132	0.8
97.02937	2.0
97.06564	1.0
98.20542	1.4
99.08155	2.6
113.09747	3.0
121.10230	2.5
125.09722	1.9
127.11322	1.2
129.09216	2.0
135.04510	1.2
137.09729	0.9
139.11299	9.2
149.04546	2.4
163.11241	0.8
165.12837	1.6
167.10799	0.8
171.10280	23.3
172.10594	1.5
181.12386	1.0
183.10300	0.8
183.13924	0.9
185.11861	2.3
193.12344	11.1
197.11821	1.8
201.11337	1.7
211.13391	9.4
221.93628	0.7
261.38489	0.8
275.20206	1.0
293.21246	16.4
294.21393	1.2
311.16580	2.7
311.22275	100.0
312.22601	10.6
333.88797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.45721	0.7
57.03424	1.8
58.41364	0.8
59.01368	1.4
67.49263	0.6
70.54768	2.6
97.06569	1.4
105.04909	0.8
113.09734	4.3
121.10204	2.6
124.03997	0.7
125.09703	1.5
127.11275	2.3
137.09703	1.7
139.11287	21.2
140.11519	0.9
150.06047	0.7
153.09137	0.8
155.10785	2.0
167.10803	1.0
171.10254	37.9
172.10649	1.9
183.10271	1.7
185.11806	3.6
193.12321	1.0
197.11751	0.9
201.11244	3.5
211.13377	3.4
249.22147	0.9
275.20074	2.0
280.84268	0.7
293.21225	23.5
294.21472	2.0
309.68433	0.9
311.05835	1.1
311.22241	100.0
312.22531	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	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.65196	1.3
57.03446	2.2
59.01378	13.7
61.98824	5.7
71.01395	2.1
71.35452	1.4
71.54652	1.7
96.44540	1.4
107.50079	1.4
117.41394	1.3
122.68617	1.4
125.09709	3.0
135.04485	1.9
139.11296	2.2
141.12881	1.4
149.04507	7.6
171.10306	3.6
179.03442	1.4
183.01183	5.8
200.10483	2.9
213.20619	1.3
228.19174	1.5
239.03949	1.4
249.22157	2.0
267.23242	2.4
293.21286	8.5
311.13177	8.6
311.16748	11.0
311.22256	100.0
312.13126	1.3
312.16925	1.6
312.22620	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	311.2228
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
51.78273	0.5
57.03443	1.0
59.01378	6.7
61.98801	1.4
69.03421	0.6
71.01385	0.7
71.05014	2.3
71.17671	1.3
77.03950	1.0
79.01869	0.9
80.02682	0.7
83.04994	0.6
87.81527	0.5
88.45934	0.6
89.02441	1.1
89.56853	0.6
90.13343	0.5
93.03451	1.4
97.06554	1.0
111.08128	2.3
113.04650	0.6
117.03448	2.6
121.02892	0.8
123.08118	1.7
125.09710	0.8
135.04536	1.5
139.11285	1.2
141.12848	0.8
149.02315	0.7
149.04576	3.6
149.09720	2.6
151.11285	4.0
153.12851	2.4
157.08708	4.5
161.02422	1.4
163.03972	0.8
165.12851	1.2
169.12341	0.9
171.10263	1.0
177.12755	1.3
179.03494	0.8
179.14412	0.8
181.12358	1.0
183.01170	1.0
183.07956	0.7
195.10248	2.9
213.11302	1.3
239.07166	1.5
249.22142	2.9
251.11226	1.0
268.03891	1.2
275.19983	1.3
283.06097	10.3
284.06311	1.1
293.21222	99.6
294.21552	9.9
311.05624	20.7
311.22263	100.0
312.05930	2.0
312.09576	0.7
312.22586	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	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
59.01379	100.0
60.01697	0.8
61.98831	1.5
71.01382	9.6
73.02935	3.4
83.01399	1.6
85.02953	3.9
87.00890	0.8
89.02431	4.0
90.86887	0.6
95.01371	0.7
99.00888	1.3
101.02445	9.9
113.02447	3.7
115.35365	0.6
119.03529	1.2
143.03448	0.9
149.06056	0.7
159.02963	1.4
161.04543	8.0
163.04002	1.0
247.76407	0.6
251.11348	26.1
252.11746	1.3
311.09924	2.2
311.12952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1864
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
59.01381	5.9
61.98824	1.3
69.29096	5.2
71.01375	1.2
77.03953	0.7
79.01912	0.6
86.05279	0.5
93.03439	0.6
97.06580	1.1
113.09753	0.6
113.22504	0.7
117.03455	2.2
121.02956	2.0
135.04541	1.1
149.02415	0.7
149.04538	2.0
157.08688	2.0
159.04498	0.6
161.02434	0.8
163.03970	0.8
167.14383	2.0
183.01198	0.8
193.15993	0.7
207.17552	1.4
211.13504	1.0
223.20685	2.0
232.62949	0.6
238.91682	0.6
249.18584	4.8
251.11362	1.5
267.19641	100.0
268.03903	0.7
268.19943	8.9
275.16519	8.5
276.17081	0.7
283.06125	7.6
293.17596	37.7
293.20975	2.3
294.17865	3.9
299.72195	0.6
311.05579	13.2
311.18628	42.8
311.22247	10.0
312.06161	1.3
312.18951	4.1
312.22507	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1288
Annotation	Engelhardione
Peak:m/z	Relative Intensity
52.97829	1.0
59.01382	11.8
61.98826	4.2
71.01447	1.1
71.53200	1.7
79.63620	1.2
83.05034	17.5
89.02442	2.6
91.85314	1.2
113.09750	1.5
135.04509	2.1
145.02989	5.9
146.03697	1.6
147.04500	1.5
149.04529	6.5
161.02361	1.4
173.02377	1.9
174.03215	18.8
175.04008	10.8
183.08058	1.2
187.04056	1.3
197.06020	1.0
206.02173	17.9
215.07050	2.5
227.07098	4.9
228.07768	1.6
251.11473	1.3
267.02847	1.5
283.13452	2.4
293.21341	1.8
311.12888	100.0
311.22122	7.1
311.29645	1.5
312.13217	12.1
312.22705	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
55.66816	0.8
57.03444	1.0
58.33853	0.8
59.01379	100.0
60.01719	1.0
61.98798	1.2
69.81085	4.3
71.01381	13.4
72.99313	0.9
73.02959	4.2
73.03304	0.9
75.00855	2.4
78.95947	0.8
85.02952	7.2
87.00838	1.2
89.02452	5.5
97.03012	1.0
98.20648	1.1
99.00881	1.6
101.02439	9.6
111.22101	0.9
113.02467	4.2
119.03473	2.0
119.05009	2.4
131.04788	0.7
143.03441	1.2
144.37436	0.9
149.04570	0.9
157.28206	0.9
159.02968	1.6
161.04568	11.8
163.03952	2.7
175.02498	1.1
177.05568	0.9
189.05527	1.3
250.34712	0.9
251.11339	24.7
252.11755	1.4
275.11096	1.0
311.09760	5.8
311.12952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77674	0.6
52.35567	0.5
53.14214	0.6
59.01378	100.0
60.01694	1.0
70.80763	1.1
71.01393	2.2
73.02946	0.9
85.02972	0.8
88.85372	0.5
89.02458	1.9
90.25124	0.7
99.60980	0.6
101.02473	1.3
113.02459	0.8
131.03537	0.6
135.04549	2.1
137.02390	0.7
145.10829	0.6
149.04549	5.9
159.03001	0.8
160.37596	0.7
161.04552	1.9
179.03583	0.8
219.39038	0.6
251.11420	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	311.1136
Annotation	Triandrin
Peak:m/z	Relative Intensity
55.01882	0.5
57.03467	0.7
59.01379	100.0
60.01709	1.2
66.16245	0.5
69.18330	4.1
69.18734	1.3
71.01379	6.0
73.02952	3.0
73.57365	0.5
83.01376	0.9
85.02933	3.5
87.00886	1.1
89.02438	3.6
99.00901	2.4
101.02442	6.0
113.02477	2.2
117.03453	0.6
119.05045	0.7
126.72072	0.6
131.03548	0.8
134.03745	4.1
135.03014	0.7
135.04544	2.3
149.04544	10.0
149.05769	0.9
159.03018	0.8
161.02428	0.6
161.04579	3.2
163.04070	0.7
179.03555	1.5
191.05618	1.0
193.05035	4.2
223.13322	0.7
269.10208	3.3
281.09320	0.7
311.05789	1.5
311.10812	3.9
311.14404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08245	0.6
55.01887	0.6
57.03453	0.8
59.01377	100.0
59.20668	0.4
60.01717	1.1
62.95655	0.6
63.99254	0.6
68.07358	0.5
68.70724	0.6
69.04757	0.5
71.01377	6.6
71.10481	0.4
71.38900	0.5
73.02954	2.2
83.01446	1.0
85.02947	3.3
88.70461	0.6
89.02428	3.6
89.03958	0.6
93.03452	1.5
94.01657	0.5
99.00907	1.2
101.02447	3.4
112.08865	0.6
113.02473	1.9
117.03483	3.0
119.05050	1.0
131.03503	0.8
133.02954	0.8
134.03748	23.1
135.03011	1.9
135.04626	2.8
137.02467	3.0
143.73331	0.6
149.04559	9.2
149.05995	1.0
151.45590	0.6
161.04538	3.5
163.04034	0.7
167.03458	0.7
179.03526	2.0
179.89423	0.6
191.05740	0.6
193.05045	22.5
194.05402	1.1
223.13383	0.7
235.52846	0.5
269.10321	3.3
281.09393	1.0
282.93436	0.5
283.06064	1.3
311.05634	2.2
311.10922	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	311.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52009	0.2
59.01377	3.4
69.24020	1.2
69.24439	1.1
71.01372	0.5
73.02938	0.5
77.03976	0.7
79.01903	0.4
89.02453	0.5
93.03433	0.5
95.04996	0.3
102.98595	0.3
106.04232	0.4
107.05028	100.0
108.05358	4.5
108.40673	0.3
117.03445	2.1
119.05002	0.3
121.02959	1.1
135.04546	0.7
138.43335	0.3
141.69789	0.3
147.04504	0.3
149.02406	0.3
149.04549	1.3
153.78845	0.2
159.04509	0.6
161.02415	0.9
163.04016	0.7
165.01923	0.3
172.92267	0.2
180.98599	0.2
186.20602	0.3
189.12823	0.2
191.03601	0.4
239.07094	0.5
239.75636	0.3
268.03778	0.4
282.05420	0.5
283.06125	9.1
284.06418	1.3
293.04550	0.2
297.07599	0.6
311.05585	16.4
312.05896	1.3
312.09549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25727	0.5
53.29661	0.5
57.03448	0.8
59.01381	100.0
60.01730	0.9
61.98827	0.9
69.59921	1.2
69.60324	1.9
71.01383	2.7
73.02951	2.1
76.08306	0.5
85.02972	1.8
85.38525	0.4
87.00908	0.8
89.02441	6.2
98.19871	0.6
101.02454	2.5
110.63420	0.4
113.02482	1.3
119.05058	0.7
121.02962	1.4
131.03519	1.1
134.03770	1.7
135.03000	0.6
135.04524	6.3
136.04900	0.5
149.04552	23.9
150.04886	0.8
161.02440	0.6
161.04561	1.2
163.04031	0.6
165.05580	0.9
167.03473	0.6
179.03513	3.6
187.11206	0.5
193.05132	0.7
223.06044	1.0
251.05643	0.6
269.10223	2.4
283.81909	0.6
311.07733	1.3
311.11267	1.4
311.15073	0.8
312.14767	0.5
330.58606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
70.34675	0.4
71.01375	4.4
71.21899	0.5
71.22229	0.7
73.02952	4.0
87.00875	2.2
88.74358	0.4
89.02444	26.1
90.02781	0.5
99.47776	0.4
101.02441	0.7
103.04027	1.9
107.04977	0.7
119.04982	0.8
131.03519	6.7
133.02950	1.1
134.03728	2.2
135.04524	27.3
136.04851	1.2
140.52081	0.4
149.04553	100.0
150.04907	2.7
161.02486	3.0
163.04028	1.3
166.10818	0.4
179.03490	18.0
180.03926	0.6
289.32877	0.4
305.48636	0.4
308.15860	0.4
311.07748	1.8
332.96857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
69.03449	0.5
69.17226	0.4
69.56160	2.0
69.56592	1.1
71.01382	4.0
73.02952	4.4
85.02962	1.1
87.00859	3.0
89.02443	25.8
98.19799	0.5
99.00840	0.7
101.02425	0.7
103.03999	2.4
105.01917	0.8
107.05061	0.7
117.03512	0.7
119.05020	4.4
128.48589	0.5
130.11478	0.5
131.03506	7.8
133.02951	1.6
134.03719	2.9
135.04526	28.1
136.04863	1.2
149.04553	100.0
150.04895	2.8
161.02455	3.5
163.04022	4.3
165.04053	3.9
179.03490	18.3
180.03815	0.6
193.03499	1.0
193.05109	0.9
230.68915	0.4
311.07828	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	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
69.16069	2.2
69.16477	1.6
71.01385	4.1
73.02947	3.8
87.00867	2.4
88.85645	0.4
89.02445	24.7
98.36577	0.3
100.85903	0.3
103.04000	1.9
107.05045	0.8
114.46091	0.4
117.03417	0.5
119.05003	0.7
131.03508	5.9
133.02953	1.3
134.03740	2.7
135.04529	25.4
136.04858	1.0
141.94107	0.4
149.04556	100.0
150.04901	2.0
161.02431	3.5
163.04063	0.5
165.04056	0.6
165.67871	0.3
179.03493	17.3
180.03856	0.8
208.21472	0.3
211.08455	0.4
311.07755	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	310.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80042	0.7
58.00595	0.9
59.01379	32.6
60.01711	1.1
61.98825	4.4
64.63432	0.8
66.37149	0.8
70.46849	0.8
71.01382	17.9
71.53646	1.1
73.02945	1.4
85.02946	1.2
87.00851	0.9
89.02441	26.9
90.02750	0.8
95.01402	1.1
101.02460	5.8
113.02448	5.8
119.03520	4.8
130.08739	100.0
131.03459	1.4
131.09044	3.9
143.03510	2.3
149.04552	2.1
154.78485	0.8
161.04538	2.2
179.05589	6.1
182.27344	0.7
195.27414	0.9
251.11465	1.6
310.12082	2.1
311.09891	0.9
334.32648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0558
Annotation	Prosogerin A
Peak:m/z	Relative Intensity
53.72896	0.0
55.01883	0.1
59.01381	0.1
63.02395	0.1
65.00317	1.1
65.00632	0.1
65.03966	0.1
67.01900	0.1
68.99818	0.1
69.03447	0.1
71.96597	0.0
74.98603	0.0
75.02396	0.1
77.03967	6.5
78.04299	0.2
79.01891	4.2
80.02211	0.1
81.03461	0.2
83.01399	0.3
87.00862	0.0
87.02407	0.2
89.03977	0.1
91.01888	0.1
91.05536	0.1
93.03457	4.4
94.03797	0.1
95.01385	0.2
95.05019	0.4
97.02944	0.6
103.01899	0.2
105.03455	1.5
107.01388	0.7
107.05025	0.1
108.02206	0.2
109.02954	0.1
116.02683	0.1
117.03466	18.0
118.03790	0.7
119.01386	0.1
119.05025	2.0
120.05375	0.1
121.02956	5.3
122.03280	0.1
123.00868	0.2
123.04517	0.3
125.02454	0.8
129.03429	0.1
130.04234	0.1
131.01372	0.3
131.05017	0.1
132.02170	0.1
133.02977	0.4
134.03751	0.2
135.00882	0.3
135.04523	4.7
136.01654	0.1
136.04878	0.2
137.02463	0.5
141.03520	0.1
143.05009	0.2
145.02948	0.9
145.06636	0.1
146.03720	0.2
147.00879	0.2
147.04521	0.5
148.01665	0.6
149.02443	2.1
149.04533	0.2
150.02824	0.1
151.00368	0.1
155.05028	0.2
156.05791	0.1
157.06528	0.1
158.03693	0.2
159.04514	3.7
160.04802	0.2
161.02443	5.1
161.83292	0.1
162.03206	0.4
163.00366	0.5
163.04005	5.1
164.01176	0.2
164.04364	0.2
165.01930	2.5
166.02299	0.1
167.03671	0.1
167.05022	0.2
168.05804	0.1
169.06589	0.6
171.04556	0.3
171.08081	0.2
172.05292	0.1
173.02426	0.4
173.06055	0.8
175.00346	0.5
176.01202	0.1
180.05801	0.2
181.06564	0.4
182.03722	1.0
182.07333	0.1
183.04507	1.2
183.08124	0.9
184.05135	0.1
184.08525	0.1
185.02419	0.2
185.06020	0.2
186.03107	0.1
187.04112	0.1
187.07602	0.1
189.01906	0.4
190.02657	0.2
190.99854	0.1
191.03502	1.6
193.01395	0.8
193.06581	0.4
194.07414	0.2
195.04507	0.6
195.08179	0.6
196.05270	1.1
196.08141	0.1
197.06073	1.8
198.06461	0.2
199.03979	0.3
199.07448	0.1
200.04677	0.1
201.05605	0.2
203.03465	0.5
209.06056	0.6
210.06847	0.4
211.04047	0.2
211.07645	1.6
212.04709	0.1
212.07954	0.1
213.05624	0.4
214.06183	0.1
215.07108	0.8
216.07478	0.1
217.01385	0.1
221.06035	0.2
222.06790	0.1
223.03922	0.2
223.07491	0.1
224.04784	1.2
225.05540	0.5
226.05992	0.1
227.03481	0.2
227.07071	0.2
237.05611	0.7
238.06332	0.5
239.03412	0.2
239.07138	3.2
240.04391	0.4
240.07492	0.2
241.05078	0.5
243.06604	0.3
253.05107	0.6
254.05923	0.3
255.06598	0.5
256.03952	0.1
263.03519	0.1
264.04230	0.1
265.05191	0.3
266.05692	0.1
267.03101	0.2
267.06375	0.2
268.03757	3.7
269.04303	0.4
269.23224	0.1
281.01413	0.1
281.04562	2.0
282.05304	1.7
283.06107	62.6
284.06433	5.4
293.04529	1.6
294.04944	0.2
309.04089	0.7
311.05591	100.0
312.05927	9.9
314.04227	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.9
59.37081	1.7
61.98823	6.1
70.42878	5.3
71.01402	2.1
85.44079	1.8
96.96016	4.0
97.06592	3.7
99.00881	3.1
111.08181	2.3
113.09694	2.5
116.92841	2.4
125.09751	2.4
151.03986	8.4
151.07626	14.7
152.08461	10.6
171.10240	2.1
181.12199	2.0
193.08704	2.8
199.09743	2.9
201.11249	2.8
209.15471	23.1
210.15771	1.8
211.13354	2.7
221.15414	1.9
247.20683	3.0
252.09967	2.8
265.17990	6.0
265.21942	2.0
273.18555	3.0
291.19675	28.3
292.20065	2.1
309.17062	38.3
309.20685	100.0
310.17401	5.2
310.21063	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	310.0933
Annotation	p-Glucosyloxymandelonitrile
Peak:m/z	Relative Intensity
50.27656	1.2
58.00591	1.8
59.01382	56.5
69.62694	3.9
69.63110	3.9
71.01012	2.0
71.01385	32.5
72.99307	2.1
73.02942	8.2
75.00879	1.6
83.01361	2.1
85.02947	8.7
85.76677	1.2
87.00861	6.4
89.02444	47.6
92.05073	6.6
93.03461	2.2
95.01393	2.8
99.00858	2.0
101.02445	18.6
103.04001	2.4
113.02456	10.4
116.05070	2.8
118.02978	4.4
119.03524	9.4
119.04996	7.3
120.04553	7.2
123.04552	1.5
131.03545	11.4
131.05009	5.8
132.04567	13.1
134.03745	3.1
134.06158	1.8
135.04532	26.1
137.02385	1.3
144.04543	5.6
146.02489	52.4
146.06111	2.1
147.03265	54.9
148.04065	16.4
149.04561	98.6
149.05969	5.6
150.15433	1.3
158.06099	2.1
160.04042	74.5
161.02406	3.7
161.04384	6.1
162.05600	1.5
163.04018	12.0
172.04036	5.8
173.04556	4.1
174.05597	16.5
179.02182	8.5
179.03517	12.7
179.05556	4.1
182.79041	1.3
186.05594	4.1
202.05096	24.1
204.06570	1.5
214.05109	5.4
232.06194	3.6
294.69781	1.3
297.09537	1.5
310.09323	100.0
311.09714	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69252	1.4
51.56932	1.3
57.03433	4.7
59.01377	3.1
69.03451	3.9
70.55202	3.9
71.05018	2.9
71.39416	1.4
83.05008	3.9
85.02966	1.7
85.06580	2.4
87.04520	1.5
97.02940	20.8
97.06563	1.9
109.06566	4.4
111.08135	1.3
114.62722	1.4
119.08688	1.4
137.09702	4.8
137.69861	1.3
165.12793	2.1
171.10248	11.7
181.12230	1.5
193.12352	1.8
195.13901	14.6
211.13347	3.3
221.15477	7.9
223.13367	4.8
223.17033	1.8
233.15404	3.5
239.16498	2.6
247.20586	4.1
251.16473	14.9
273.18579	3.8
291.16342	1.9
291.19666	69.1
292.19983	6.1
309.20697	100.0
310.21021	10.9
327.23499	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39622	1.9
57.03452	4.1
59.01385	12.7
61.98820	6.4
69.03457	2.4
71.01384	2.9
71.54494	2.3
81.03464	2.8
83.01394	7.9
83.05059	4.7
83.41317	1.9
87.13194	2.4
95.05087	2.5
96.96027	3.8
97.06591	4.6
123.04538	3.5
123.08138	5.7
125.09731	11.6
134.89534	2.5
139.11253	10.9
141.09297	2.8
151.04012	6.1
151.07643	10.1
152.08412	8.8
162.10474	2.9
163.11266	9.3
165.12837	14.9
165.24240	1.9
167.10745	4.5
171.10338	2.3
178.37688	2.0
181.12350	7.0
193.15938	6.6
207.10152	2.9
209.02654	3.5
209.11821	65.5
209.15216	10.5
210.12138	3.6
237.05891	3.7
239.16640	1.8
247.20712	13.3
265.18066	3.0
265.21692	5.3
273.18643	4.2
291.19644	100.0
292.20084	10.7
309.14627	29.0
309.16971	14.4
309.20172	32.3
310.20969	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76546	1.4
54.03835	1.4
57.03443	3.7
59.01363	6.8
61.03423	1.4
61.98825	1.9
64.54019	1.5
70.01463	4.0
70.01859	3.2
71.05030	1.6
80.02670	8.9
84.02179	2.3
96.96015	1.7
97.06564	2.5
123.08151	13.0
125.09730	17.7
127.11275	6.6
137.09747	15.1
139.11278	7.0
139.94699	1.7
141.09203	2.8
141.12823	2.8
151.04021	1.8
151.07669	2.2
152.08409	3.6
155.10762	46.4
156.11116	2.9
167.10728	5.6
171.10258	100.0
172.10608	3.5
185.11815	91.5
186.12091	4.0
197.11739	1.8
204.16891	1.7
209.15596	4.2
212.10480	3.5
247.20619	5.7
259.16995	1.9
263.20123	7.0
265.21811	4.7
273.18439	2.0
281.21121	16.1
291.19650	37.2
309.14694	11.5
309.16870	5.8
309.20584	45.8
310.20819	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.66443	0.7
59.01384	1.2
66.91182	0.8
70.01270	3.1
75.83112	0.7
79.95747	3.4
87.44550	0.8
88.61306	0.7
90.51195	0.6
96.96012	33.5
110.44146	0.7
119.91202	0.7
122.97630	0.8
133.46240	0.8
139.11272	1.4
141.09218	55.5
142.09526	2.2
151.03986	1.0
152.08455	0.7
167.10768	5.0
185.11824	100.0
186.12170	4.6
209.15465	1.3
265.21625	1.4
309.17365	47.7
309.20758	45.4
310.17682	4.1
310.21109	5.3
332.51611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	11.9
59.01376	26.0
60.28825	8.3
70.29018	26.7
97.06561	13.5
114.65206	9.0
119.08644	20.8
121.10234	39.9
125.09721	23.0
151.04030	8.5
151.07622	9.4
171.10222	30.8
183.13834	20.5
185.11818	48.0
197.11842	15.4
204.92719	7.0
209.15410	23.1
211.13321	26.4
247.20601	15.4
273.18692	12.1
291.19629	100.0
309.03802	7.5
309.14600	43.1
309.17554	15.5
309.20242	59.1
310.21112	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.3
58.00567	3.0
59.01380	11.9
59.48615	2.6
61.98809	4.3
67.53368	2.1
70.39687	7.9
71.01378	3.3
80.02672	10.1
84.02124	2.9
91.83609	2.0
91.84192	2.0
95.05038	2.4
96.96021	3.0
97.06564	4.9
100.03345	2.2
108.02180	2.3
122.34809	2.4
123.08149	16.3
125.09713	18.6
127.11246	6.9
137.09731	17.6
139.11263	7.8
141.12807	2.7
151.03975	4.9
151.07620	4.5
152.08397	4.6
153.09219	2.7
155.10768	44.9
156.11078	3.5
159.08501	2.1
167.10760	8.5
171.10257	99.4
172.10651	3.8
185.11827	100.0
186.12160	6.3
195.14099	2.1
197.11774	4.1
209.15442	10.1
212.10495	4.6
225.02548	13.8
247.20613	4.5
263.20044	8.8
265.21677	3.3
281.21323	17.8
291.16656	1.7
291.19614	49.1
292.19907	3.6
293.08875	28.4
305.78641	2.5
309.03903	4.1
309.14957	8.5
309.17145	16.3
309.20474	48.4
310.21140	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97434	3.5
59.01379	25.5
61.98830	13.3
69.03461	3.8
71.01411	5.7
71.22527	7.6
83.05033	18.1
84.02151	7.9
96.96021	6.9
99.00916	4.7
99.08146	5.5
115.07639	8.4
116.92844	4.3
117.20883	3.4
123.08128	4.1
123.67664	3.8
125.09695	7.9
127.11267	3.7
134.89447	7.0
137.09714	42.5
139.11258	5.9
142.95580	3.6
151.04025	6.9
151.07632	23.0
151.11264	8.0
152.08391	17.1
153.09268	8.4
155.10797	50.3
163.03947	4.5
163.11224	4.4
165.12900	5.5
167.10751	3.7
171.10269	44.5
184.07413	4.1
193.12326	23.1
209.02779	6.8
209.11844	9.5
209.15485	32.2
210.15814	4.4
223.04407	6.1
247.17511	3.5
247.20576	8.9
252.10158	4.6
263.19925	4.3
265.17957	7.4
265.21887	7.1
291.19678	90.2
292.20020	10.3
309.15167	42.8
309.17172	36.9
309.20355	100.0
310.20917	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.6
57.18024	1.7
59.01383	6.3
70.96075	2.5
71.24519	1.5
77.71051	1.4
83.05033	2.1
97.06610	1.6
99.00880	2.2
109.06618	1.7
111.08163	30.7
127.07667	4.1
129.40460	1.2
137.09804	1.2
151.04004	3.8
151.07600	5.0
151.11269	2.1
152.08426	4.6
153.12814	2.2
169.12320	6.9
171.10274	5.5
181.12395	1.7
183.13875	1.5
197.11832	100.0
198.12167	5.0
199.13390	3.4
206.84045	1.4
209.15442	9.8
211.13455	11.3
227.12898	2.1
247.16844	1.5
247.20520	2.0
252.09930	2.4
263.20081	6.3
265.18054	5.0
273.18637	2.8
291.16425	1.4
291.19650	24.7
309.17026	20.2
309.20676	51.4
310.20938	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
59.01370	6.3
61.98834	2.8
65.09298	1.6
68.25143	1.8
70.95847	3.9
71.05021	4.3
80.02681	16.9
81.03442	5.2
81.14893	1.5
83.05025	29.7
84.02158	13.3
85.54593	1.7
97.06578	6.5
99.08138	8.1
109.06578	3.0
110.82320	1.8
111.08109	1.8
115.07654	7.2
123.08157	2.1
125.09704	6.4
127.11269	5.2
137.09717	63.8
138.10002	2.2
139.11285	12.1
144.30223	1.9
151.11282	3.0
152.08417	4.6
153.09193	9.2
155.10762	58.1
167.10765	3.5
169.12209	2.0
171.10262	72.9
172.10573	3.0
193.12315	28.1
197.11719	1.8
206.16188	1.7
209.11809	5.6
209.15358	5.4
211.13446	5.9
225.18686	2.4
247.20616	6.4
263.20129	5.1
265.21756	5.0
273.18469	2.1
291.19641	85.5
292.19943	6.4
309.17130	6.0
309.20654	100.0
310.21091	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	3.6
59.01385	12.6
60.61061	1.7
61.98835	2.3
70.28850	7.0
71.05029	2.4
79.03209	1.8
99.00879	3.6
109.82990	1.8
110.96708	1.9
111.08160	37.5
116.92809	2.0
127.07614	2.1
137.09737	5.2
151.03989	7.8
151.07681	12.4
152.08459	12.6
169.12340	7.1
171.10242	8.6
183.13928	2.8
184.07475	2.8
190.10013	2.1
197.11833	100.0
198.12036	4.5
199.13446	3.0
199.15221	2.2
209.11926	2.0
209.15471	31.3
211.13333	11.4
225.14870	3.8
227.12943	3.4
233.15526	4.2
247.20372	2.3
251.16501	5.1
252.10046	2.8
263.20001	3.7
265.18094	7.9
273.18637	2.8
279.84082	2.2
291.16321	3.4
291.19629	28.2
309.17068	39.6
309.20724	54.1
310.17459	5.2
310.21036	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03445	1.4
59.01382	9.9
61.98821	4.3
71.00441	3.1
72.65699	1.3
96.95991	2.6
119.05031	1.7
121.10258	6.8
125.09737	8.7
137.09686	4.0
145.98717	1.3
152.08418	1.6
152.91699	1.2
163.82339	1.4
167.14359	1.5
171.10307	7.1
185.11789	10.9
197.11806	4.0
209.15326	1.8
211.13388	59.5
212.13826	3.1
217.02783	1.5
251.16510	1.9
261.55048	1.3
291.19653	100.0
292.19919	10.7
309.17014	5.1
309.20651	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26854	1.5
54.07843	1.6
57.03445	2.7
58.00590	2.4
60.33723	1.6
69.03455	5.9
70.64809	5.9
104.66925	1.9
108.05841	1.7
111.08103	2.1
119.08683	17.4
121.06566	1.9
125.09693	7.0
127.11258	3.0
137.09712	24.4
139.11250	3.5
145.39639	1.8
151.11240	2.1
153.09166	2.4
155.10776	4.8
167.10747	3.8
171.10272	100.0
172.10605	5.3
183.10269	6.3
185.11819	21.5
197.11829	5.8
201.11339	6.1
209.56310	1.8
213.11273	9.9
218.40070	2.0
247.20735	3.0
273.18588	8.2
291.16608	3.4
291.19653	34.3
291.66208	1.9
292.20065	2.7
309.17285	2.2
309.20663	40.9
310.20895	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33157	1.0
57.03429	2.3
59.01353	3.7
61.78706	1.1
66.34753	1.2
70.62857	3.5
71.05019	20.4
83.05025	1.2
85.45273	1.0
95.05030	1.1
97.06593	4.9
98.19811	1.2
107.04970	1.3
119.08617	1.2
121.10255	5.1
123.08143	1.9
125.09695	3.8
137.09721	19.1
157.08643	1.8
171.10268	48.6
172.10544	2.1
177.60893	1.0
181.12373	1.3
185.11810	9.1
197.11836	2.9
207.13925	2.4
219.13847	2.0
233.15457	3.1
235.16994	1.8
237.14993	1.7
247.20731	1.6
247.93263	1.2
251.16487	19.3
252.16716	1.8
273.18613	1.5
291.16257	1.7
291.19635	57.8
292.20007	6.5
309.20688	100.0
310.21106	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18119	1.4
57.03442	3.9
59.01377	11.8
61.98803	1.9
71.01373	2.7
71.05016	15.0
71.11183	2.7
76.10565	1.3
83.05058	1.9
83.49744	1.2
97.02995	1.4
97.06586	5.6
107.05036	1.3
119.08707	1.7
121.10239	12.6
125.09726	10.3
133.02936	1.4
135.08121	1.7
137.09726	19.9
141.12865	1.9
152.25473	1.7
161.02444	2.2
171.10277	38.5
172.10477	2.0
181.12285	1.8
185.11847	16.2
197.11853	4.5
209.11761	2.3
211.13295	1.9
219.13887	2.5
237.14926	2.0
247.20767	1.7
251.13908	2.2
251.16501	38.3
252.16827	2.8
273.18735	2.6
281.04514	2.1
291.19647	90.2
292.19940	10.7
309.03793	3.0
309.17502	3.6
309.20685	100.0
310.21182	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10035	1.0
59.01346	1.0
64.82133	1.1
66.47943	1.2
67.01883	1.6
69.03455	5.1
71.02578	2.4
73.33276	1.1
79.51722	1.1
83.05035	2.2
85.02944	4.0
97.02949	49.8
97.03589	2.3
99.00890	1.4
111.08150	2.5
118.78323	1.1
119.08672	8.0
125.09740	2.8
127.11261	1.8
137.09731	23.9
151.04018	5.2
151.07651	6.6
152.08409	10.2
153.08981	1.5
155.10794	1.5
171.10280	43.7
172.10550	2.4
177.12807	1.2
185.11819	4.8
195.13895	2.4
197.11789	2.0
201.11281	2.0
209.15451	14.7
210.15720	1.1
211.13278	3.2
221.11754	4.5
229.19604	1.5
239.12872	4.2
252.09979	2.1
265.18140	2.6
273.18628	3.6
291.19666	24.1
292.19986	2.4
309.17047	23.1
309.20673	100.0
310.17441	1.9
310.21008	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	309.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
57.30910	0.7
59.01381	100.0
59.68792	0.7
60.01726	1.4
66.32742	0.7
71.01402	2.5
71.54051	1.3
79.95744	0.7
84.74624	0.7
85.02965	2.8
87.00896	0.9
93.03478	1.7
95.05019	0.9
96.96011	40.1
98.95602	3.6
101.02468	1.1
102.07661	0.9
105.03484	1.1
121.03020	1.3
123.04545	1.3
125.02449	0.8
132.19119	0.7
133.02934	4.8
134.03775	2.6
135.04558	2.7
137.02486	1.3
161.02477	0.8
161.04684	1.0
173.04697	1.1
176.04028	5.9
177.01930	1.6
179.03593	3.3
193.05135	2.9
209.20392	0.9
211.13397	0.9
227.12865	1.2
229.14442	10.9
249.13330	3.7
309.10217	31.0
310.10510	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53245	1.4
57.03444	2.2
58.00583	2.3
59.01370	4.9
69.03439	7.2
70.66533	2.9
70.66900	4.3
83.05022	1.7
85.02930	3.7
94.66655	1.9
97.02945	32.6
97.06544	3.1
119.08675	14.5
125.09753	11.4
127.11280	1.7
133.88742	1.6
135.08170	3.5
137.09709	34.2
138.10020	2.8
151.11302	2.2
155.10794	6.1
157.12239	1.7
167.10780	4.0
171.10258	100.0
172.10648	4.4
183.10284	3.6
185.11823	25.5
195.10217	2.3
201.11343	8.0
211.13350	3.2
213.11345	9.1
221.11845	1.8
229.19595	3.5
239.12772	2.4
246.73523	1.6
273.18594	10.2
274.18976	2.7
278.43961	1.7
291.19653	35.8
292.19940	3.2
309.20691	80.1
310.21060	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.9
59.01375	13.7
61.98807	4.2
71.01375	1.7
71.05019	19.0
71.54549	1.6
72.51616	1.2
76.08792	1.3
93.07074	1.6
95.05006	1.7
97.06600	6.7
107.05005	1.8
121.10242	12.5
121.96890	1.2
123.08148	2.8
125.09731	10.8
137.09717	21.6
139.88741	1.3
141.08189	1.5
171.08813	2.1
171.10268	43.7
172.10590	1.6
185.11845	17.6
186.12009	1.8
197.11790	5.2
207.13824	1.8
211.13409	2.6
219.14041	2.2
235.16888	2.2
237.14908	2.6
247.20740	1.5
251.16504	45.8
252.16882	3.5
273.18512	2.4
278.92908	1.3
281.04538	2.1
291.19641	95.2
292.19989	11.2
309.04080	3.4
309.20679	100.0
310.21121	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	309.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00648	0.6
52.45256	0.7
59.01380	100.0
60.01726	1.3
63.01594	0.8
66.63374	0.7
70.54057	1.6
71.01379	3.3
85.02962	1.3
87.00892	3.1
87.04514	51.6
88.04859	1.1
89.02453	1.9
101.02464	1.6
101.06094	2.0
113.02448	5.6
119.03506	2.0
135.04480	0.9
158.61649	0.7
161.04568	3.6
242.59145	0.7
249.09828	3.3
309.09619	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39626	0.6
59.01377	100.0
60.01701	0.7
60.28995	0.7
67.12068	0.7
70.81015	1.1
70.81326	1.0
71.01376	3.4
71.83025	0.7
85.02952	2.2
87.00866	4.2
87.04513	58.0
89.02450	1.5
95.03957	0.7
100.73345	0.6
101.02459	2.0
101.06104	1.8
113.02454	5.1
119.03519	0.9
129.05641	1.3
129.48814	0.7
161.04521	3.4
249.09848	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1346
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
53.47107	0.7
55.32742	0.6
59.01381	100.0
60.01708	1.4
61.38707	0.8
61.98832	2.2
69.79324	4.1
71.01411	0.7
72.29723	0.7
78.91617	0.7
78.95917	2.8
85.02979	0.9
98.19901	1.0
121.02932	0.8
133.02980	2.0
135.04477	1.1
136.02213	0.8
147.03130	0.9
147.04556	1.7
150.06892	1.5
161.13361	7.8
205.12332	31.9
206.12663	2.4
221.40350	0.9
223.13449	1.8
227.33743	0.7
249.11389	2.0
309.13654	1.3
309.17325	0.9
309.20959	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98834	0.9
67.56884	0.7
70.51888	1.8
70.52238	0.8
83.05040	1.8
85.02969	0.8
86.50212	0.7
126.18210	0.8
133.02975	1.2
150.06812	0.9
161.13361	8.4
182.15526	0.9
205.12320	39.7
206.12689	2.7
221.04822	0.7
221.11897	1.4
223.13495	1.7
236.27402	0.8
249.11455	2.4
296.92435	0.9
309.04147	1.8
309.13684	0.8
309.20908	1.2
310.20337	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	309.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01716	1.5
62.15181	0.5
71.01409	1.9
71.54498	0.6
73.02946	1.4
81.21709	0.5
83.47215	0.5
85.02974	2.4
101.02449	1.4
101.79166	0.5
107.49991	0.5
113.02454	0.9
119.05067	0.5
121.02988	1.5
123.04409	0.6
125.02509	0.6
132.08372	0.6
147.03046	1.1
155.79216	0.5
161.04590	0.5
164.08394	1.2
165.09178	1.0
168.38890	0.6
185.11908	1.4
249.13469	5.4
260.48807	0.6
265.10754	0.6
309.12729	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	309.1193
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
54.34435	1.2
57.03468	1.6
58.00582	2.1
59.01381	100.0
60.01707	2.1
71.01382	31.8
71.01776	1.9
71.53376	1.9
72.99316	3.0
73.02947	5.5
75.00877	1.8
75.48131	1.1
78.95933	1.4
83.01409	3.6
85.02946	10.4
87.00874	3.5
89.02452	27.2
91.85201	1.0
95.01387	2.4
96.96021	1.9
96.96989	3.3
99.00890	3.0
99.04537	2.1
101.02448	19.8
102.02768	1.1
111.00935	1.5
111.04520	1.4
112.98788	1.4
113.02451	11.3
117.01952	5.2
119.03509	12.8
120.99664	1.7
122.14675	1.2
128.03545	1.2
129.05562	5.2
131.08258	2.7
139.03992	1.6
143.03503	2.2
146.73451	1.2
147.06598	4.8
159.02979	1.6
161.04541	4.3
173.10455	2.1
217.28329	1.3
223.02832	1.4
229.39226	1.2
309.06100	3.0
309.11923	81.7
310.12283	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	309.1188
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
52.93641	0.6
55.01881	1.4
57.03442	0.7
59.01377	100.0
61.98835	1.2
70.69537	1.5
71.01379	16.8
72.99306	1.4
73.02946	4.6
82.54840	0.8
83.01393	2.4
85.02952	6.1
87.00879	1.9
89.02449	8.9
89.02962	1.4
89.57045	0.7
95.01402	1.6
99.00879	2.0
99.04572	1.1
101.02441	11.7
111.54889	0.8
111.93597	0.7
113.02428	7.8
114.00217	0.7
119.03493	4.0
129.05580	3.2
130.08748	1.0
131.03412	0.7
139.82390	0.9
143.03525	1.7
147.03183	1.0
147.06619	2.0
148.03998	0.9
159.02950	1.8
159.06636	3.0
161.04552	13.5
181.86420	0.7
249.00256	1.0
249.09801	12.2
267.10828	1.8
278.81403	0.7
309.11874	25.1
309.26785	0.7
310.12204	0.9
330.50070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62219	1.5
55.95282	1.5
59.01378	73.4
62.27588	1.6
62.79805	1.3
69.60189	11.4
71.01382	27.6
73.02943	43.8
75.00863	3.2
78.88953	1.7
83.01414	1.6
85.02941	10.9
87.00873	22.1
89.02440	21.1
95.01414	1.8
99.00861	8.0
101.02439	16.2
112.98808	6.8
113.02442	7.6
114.05613	3.0
115.05956	2.1
117.01938	100.0
119.03508	9.2
128.07198	1.8
129.01933	5.5
129.05597	4.8
135.04562	2.1
147.06689	2.8
161.04614	4.3
176.04774	2.8
185.28851	1.7
191.05626	2.4
191.07231	3.5
208.18912	1.7
243.89787	1.9
247.09985	2.0
249.00237	4.6
291.08966	3.5
302.52066	1.8
309.08606	4.1
309.12015	61.2
310.12302	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	308.1505
Annotation	Fulvine
Peak:m/z	Relative Intensity
56.64841	0.2
59.01378	1.3
62.76067	0.2
69.82498	1.4
71.01386	0.3
78.95899	0.6
93.03468	1.1
98.15143	0.2
98.20667	0.3
115.96562	0.3
121.02962	7.5
123.64747	0.3
135.04512	0.5
151.02750	31.0
152.03043	1.3
164.03552	1.3
175.91565	0.2
183.01726	16.3
184.02072	0.5
190.05110	2.3
191.05830	2.6
204.06676	0.5
220.09776	5.0
221.10092	0.4
244.15692	0.2
250.10779	0.8
290.14090	0.9
306.13510	0.3
308.15030	100.0
309.15353	9.4
309.20724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26182	1.0
56.57403	1.0
59.01381	100.0
60.01716	0.8
61.98826	2.4
71.01380	3.0
71.02395	2.1
78.95883	1.3
133.10252	1.1
135.04536	2.5
136.04832	1.2
137.09729	1.3
150.86122	0.9
171.10205	2.4
237.85159	1.2
248.16518	2.6
251.16438	2.1
266.04459	1.1
291.19589	4.4
304.27487	0.9
308.15359	1.0
309.17371	1.7
309.20563	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	308.1351
Annotation	4-O-beta-D-Glucopyranosylfagomine
Peak:m/z	Relative Intensity
55.01871	1.0
57.03435	0.8
58.00602	1.1
59.01380	39.4
60.01729	0.4
61.98834	0.7
66.59699	0.4
69.68427	1.9
71.01384	18.8
71.05021	10.1
72.00903	0.6
72.01739	0.5
72.99299	1.7
73.02950	3.0
75.00884	0.4
83.01388	2.1
85.02951	6.0
87.00881	1.5
89.02448	15.2
95.01395	1.3
98.20609	0.8
99.00881	1.0
99.04531	3.5
101.02441	11.9
103.04024	0.5
113.01721	0.5
113.02450	7.0
114.05653	0.6
115.03967	0.4
116.07185	1.7
119.03509	5.3
128.07182	0.4
129.05594	1.0
131.03496	0.4
134.46498	0.4
135.04532	6.2
136.04854	3.9
143.03482	0.7
146.08232	100.0
147.08583	3.5
159.02975	0.9
161.02493	0.9
161.04585	3.3
162.02795	0.7
179.03516	3.9
179.05096	0.5
179.05582	0.4
180.03842	6.0
198.54266	0.4
249.09834	0.7
263.11395	2.2
308.08310	1.3
308.13501	41.2
309.11438	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	307.228
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01356	2.0
61.43725	0.5
61.98813	0.9
65.00312	0.5
68.85973	0.6
69.38228	0.5
70.20952	1.6
71.01376	3.2
75.32405	0.4
85.02945	1.2
96.96038	1.2
103.03995	1.8
109.33094	0.5
115.02666	0.6
120.00776	0.6
133.02943	0.8
135.03496	0.8
135.04527	10.5
135.23569	0.5
146.28416	0.5
157.05077	1.1
160.95274	0.5
161.02458	3.0
168.46718	0.5
179.03503	10.5
227.81932	0.5
247.08234	0.8
307.08191	2.8
307.22784	100.0
308.23114	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01378	4.1
69.03432	0.7
71.01385	2.9
71.05021	6.0
71.43195	0.6
78.40042	0.4
80.02692	0.6
81.03459	2.1
83.05037	2.1
83.69026	0.4
93.03426	0.4
95.05035	1.8
95.15046	0.4
96.96018	0.5
97.06595	0.5
98.03737	1.6
102.42644	0.4
103.04004	1.3
106.04233	1.1
107.08667	0.4
109.02990	0.7
109.06594	15.3
111.04524	7.1
111.08141	1.6
112.05343	0.8
123.04562	0.5
123.08173	1.5
127.07624	3.0
133.18170	0.4
135.04497	0.9
135.08189	1.2
137.06061	0.9
137.09688	0.8
141.09186	0.6
143.10814	1.9
145.06557	1.4
149.06126	0.4
149.09702	1.1
151.11267	0.8
155.10690	0.4
157.05064	1.1
167.10789	1.8
177.12801	0.8
179.03497	1.4
179.10754	1.4
181.12349	0.7
191.14485	0.4
195.13904	4.3
196.85123	0.5
215.14523	0.4
216.04106	0.4
233.15448	0.7
235.13344	1.8
245.19077	4.7
246.19478	0.6
247.08258	0.9
251.16467	1.2
271.17010	1.7
273.15164	0.4
284.83453	0.4
287.16510	2.4
289.18091	100.0
290.18405	10.4
291.46732	0.5
303.93323	0.4
307.15646	0.9
307.19138	9.6
308.19580	1.4
313.71585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03437	18.1
59.01383	23.1
61.98826	5.0
67.41518	3.8
71.01376	39.2
83.05030	5.5
85.96589	3.2
95.05032	4.1
97.06583	25.7
103.04003	15.0
104.29263	3.3
109.06581	6.0
111.08138	9.8
123.04478	5.0
125.09720	8.5
135.04523	13.2
137.09729	4.3
151.11273	29.5
153.09146	6.0
153.12788	5.4
155.10822	17.2
155.11876	3.7
157.05049	9.0
163.11273	6.8
165.12845	30.0
167.10712	7.9
169.12325	4.3
179.03459	12.2
179.10770	13.5
181.12340	43.3
191.10774	16.3
191.14377	9.8
209.11798	78.9
210.12140	5.7
211.13300	9.8
245.19086	37.8
247.08220	6.9
261.18689	4.3
263.20120	14.4
271.17047	4.5
279.19830	7.2
289.18066	46.3
307.08224	4.1
307.19159	100.0
308.19495	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39626	1.7
54.52609	2.0
57.03434	6.5
59.01383	18.8
69.03426	2.1
71.01381	18.7
71.43038	2.5
81.03459	9.5
83.01378	9.5
83.05018	5.8
88.84257	1.8
89.83172	2.0
91.55956	1.9
95.05061	4.4
97.02947	7.1
97.06593	10.2
103.04006	8.5
109.06616	3.7
110.43692	1.8
121.06530	2.7
123.04539	12.1
123.08134	6.1
125.06097	3.5
125.09706	23.2
135.04491	13.4
135.08093	2.5
136.90221	2.0
137.09703	16.3
138.10081	1.8
138.62225	1.9
141.12776	2.6
142.02733	2.3
157.05045	6.0
161.02426	3.4
163.11284	18.6
165.12865	3.3
179.03488	12.1
181.12332	4.2
185.11815	24.4
191.10748	4.2
191.14420	24.0
207.10208	9.2
209.11798	56.6
211.13318	2.6
225.11230	11.3
227.18007	2.8
233.15492	3.5
245.19095	48.4
246.19426	5.0
247.08209	2.7
247.17029	1.9
263.20132	3.0
271.16919	4.7
289.18088	100.0
290.18518	9.4
307.07822	3.1
307.15665	3.0
307.19110	53.0
307.22540	3.8
308.19336	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	307.1914
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.19632	2.4
53.40352	2.2
57.03445	6.2
57.81187	2.4
59.01373	11.0
61.98837	2.6
69.78259	12.9
71.01379	13.9
81.03453	7.2
83.01382	8.3
83.05019	4.3
85.02984	2.4
95.05031	6.9
97.02943	5.9
97.06587	9.6
98.20599	4.8
103.03999	7.7
106.51112	2.7
121.06548	3.5
123.04485	10.0
123.08149	7.3
125.09717	23.8
132.89992	2.4
135.04517	8.3
135.08212	5.8
137.06053	3.3
137.09732	14.7
141.12836	3.9
149.06100	4.7
152.34166	2.4
157.05020	3.0
163.11247	16.5
165.12772	4.8
171.10228	8.4
179.03476	7.4
181.12364	4.2
185.11836	32.4
191.14432	21.2
207.10265	9.2
209.11806	42.1
211.13423	2.8
225.11255	8.9
245.19029	49.7
246.19319	4.2
247.08134	3.1
271.16980	7.4
279.19574	2.8
289.18066	100.0
290.18472	9.2
304.14871	2.6
307.19104	52.4
308.19470	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32460	6.0
57.03448	10.1
59.01379	68.3
61.98822	17.8
69.03442	6.7
71.01376	99.2
71.54509	7.8
79.95723	22.9
80.96530	7.4
83.05017	9.1
97.06589	24.0
98.29014	7.2
103.04025	48.5
111.08139	13.2
125.09738	8.2
135.04510	58.7
149.09650	8.9
151.11259	30.3
157.05075	31.8
161.02425	16.8
163.11275	8.0
165.12834	31.7
167.10860	8.7
171.10292	11.3
179.03520	42.1
179.10814	7.9
181.12360	47.0
185.11830	13.7
191.10771	15.7
209.11824	100.0
211.13298	13.1
223.03169	6.4
245.19057	37.8
246.19284	6.7
247.08173	25.8
279.19614	9.0
289.18036	45.2
290.18427	6.7
307.08130	12.9
307.19144	78.2
308.19089	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.4
57.03443	6.4
59.01375	6.4
61.98810	1.8
65.03962	61.7
66.04281	1.9
71.01382	4.4
71.05016	38.2
71.31262	2.0
83.05023	2.9
97.06583	74.8
98.06933	3.3
103.03988	4.4
107.04971	1.8
109.06545	2.1
119.08639	10.4
121.06595	100.0
122.06929	5.9
123.08122	2.0
125.09718	43.2
126.10072	1.8
135.04488	4.2
137.09709	3.8
141.12810	2.3
157.05029	2.1
179.03438	4.4
185.11819	78.4
186.12149	4.8
201.32272	1.6
209.11806	33.8
210.12236	3.5
211.13390	37.3
212.13557	2.1
217.12248	2.4
233.15382	1.9
235.13377	91.7
236.13684	8.6
270.01813	1.7
289.18124	18.8
290.18433	2.9
307.19116	24.5
308.19287	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	307.155
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97016	0.2
59.01373	1.0
61.98803	0.2
70.01619	1.0
71.01376	0.9
83.60619	0.2
89.70812	0.2
92.74336	0.2
93.03455	49.7
94.03793	1.5
103.04007	0.4
103.36378	0.2
128.93210	0.2
135.04532	0.5
137.02440	100.0
138.02765	3.4
157.05038	0.3
161.02434	0.2
179.03467	0.6
187.13387	1.1
228.43346	0.2
247.08232	0.4
307.08499	0.3
307.15573	2.9
307.19034	0.4
308.15765	0.5
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
55.01881	4.2
57.03177	1.7
57.03442	7.7
59.01374	11.7
61.69566	1.6
61.98820	2.4
63.37668	1.5
65.03963	57.1
65.04311	2.9
66.45251	1.9
68.25819	1.7
69.03446	2.1
70.09460	6.5
71.01384	14.1
71.05021	40.8
83.05025	4.2
93.03445	6.3
97.06586	65.3
98.06901	2.5
103.04004	7.4
117.07082	4.6
119.08681	16.8
121.06591	100.0
122.06873	4.0
123.08140	2.9
125.09723	43.5
126.10062	2.1
135.04485	8.1
135.08157	23.7
137.09763	3.5
137.88087	1.7
141.12878	2.1
157.05026	5.4
171.10254	14.9
179.03526	8.8
185.11819	77.4
186.12186	3.9
209.11806	33.3
211.13376	35.0
217.12170	2.5
233.15469	2.6
235.13385	96.7
236.13737	5.6
247.08232	4.1
249.14850	3.8
271.16934	2.2
289.18088	37.4
290.18542	2.9
307.08368	1.8
307.19153	39.0
308.19363	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	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
57.03442	2.6
58.00583	2.6
59.01380	100.0
60.01707	0.9
61.26981	0.6
71.01382	25.1
71.01784	1.2
72.99305	1.4
73.02952	1.9
75.61745	0.5
75.96214	0.5
83.01395	2.3
85.02953	18.0
87.00894	1.2
89.02447	20.1
95.01397	1.6
99.00917	1.2
99.08180	2.5
101.02439	16.0
102.65381	0.6
103.04057	1.0
107.05046	1.1
113.02449	7.6
119.03500	8.6
119.05000	0.6
127.07655	7.4
129.01912	1.5
133.02953	8.1
134.03745	3.0
135.04526	79.0
136.04869	3.4
143.03502	0.8
143.04539	0.7
145.08711	9.3
150.57994	0.6
157.04961	0.6
161.02443	26.6
161.04532	1.3
162.02797	0.6
179.03496	77.0
180.03781	4.8
191.02028	1.9
203.03583	1.1
289.07358	2.3
307.08560	21.9
307.13971	98.4
308.08755	3.2
308.14313	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11019	0.4
59.01361	1.6
61.98822	0.8
71.01391	2.3
71.17678	1.0
74.99075	4.8
76.31348	0.5
91.02216	1.9
93.00116	1.3
103.04002	1.2
121.66413	0.4
127.00336	0.6
135.04509	2.6
143.05338	0.4
149.00958	2.4
157.05063	0.9
159.08472	7.0
159.18387	0.5
161.02414	0.6
161.06337	1.5
168.79366	0.4
179.03481	2.8
187.13362	1.9
192.98134	0.9
206.99683	1.0
209.01192	2.6
210.01334	0.4
217.07285	0.6
223.02829	48.9
224.02863	5.3
241.03951	0.7
247.08299	0.7
260.20438	0.6
275.05899	0.7
289.07590	2.1
290.07568	0.5
291.09094	100.0
292.09216	12.8
307.08679	0.9
307.12219	4.0
308.12799	0.5
309.10187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0856
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
52.17742	0.6
52.58745	0.5
58.49723	0.5
59.01378	35.4
61.71010	0.5
67.01979	0.4
69.64341	3.1
79.95731	0.7
84.29661	0.6
85.02947	1.0
96.96008	100.0
98.19905	1.1
103.98766	0.6
118.72672	0.6
123.08186	0.7
147.74565	0.6
162.42105	0.6
167.10715	1.1
227.12878	20.4
228.13243	1.3
275.39743	0.5
289.15863	0.5
307.08545	86.4
308.08929	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64123	0.3
59.01365	1.0
61.98809	0.5
68.21392	0.3
69.64588	1.4
71.01382	1.5
74.99069	5.5
91.02208	2.8
93.00140	1.9
99.92578	3.8
103.03998	1.2
105.33382	0.3
133.02930	0.4
135.04527	4.1
137.02386	0.3
143.05336	0.6
149.00931	2.3
156.89272	0.3
157.05005	0.4
159.07211	0.5
159.08472	6.7
159.38298	0.3
161.02446	1.7
161.06392	1.1
177.01895	0.7
179.03488	4.4
180.03857	0.3
185.11746	0.5
192.04291	0.4
192.98097	0.6
206.99710	1.3
209.01266	2.8
217.07191	0.7
223.02826	50.2
224.02859	4.4
225.00566	0.3
228.73763	0.3
238.14165	0.3
241.03925	0.6
247.08194	0.5
275.05872	0.5
283.66696	0.3
289.07513	1.9
291.09094	100.0
292.09210	13.6
301.97852	0.3
307.08188	1.2
307.12210	4.2
308.00540	0.4
309.10187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47881	0.2
59.01374	0.8
61.98829	100.0
69.77784	1.5
71.01385	1.2
78.66746	0.3
81.41080	0.3
100.49537	0.3
103.04009	0.5
108.97134	0.3
120.99601	0.3
154.18517	0.3
161.98941	1.4
162.98471	0.7
163.98630	0.4
164.96391	66.1
165.96472	4.4
179.91742	0.3
206.97438	24.9
207.97562	1.7
235.74876	0.3
236.38539	0.3
247.08246	0.5
264.96344	0.4
306.97534	25.1
307.97638	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31340	0.4
57.35236	0.4
59.01378	18.6
59.11895	0.4
62.58951	0.4
70.90718	0.7
71.01387	1.3
71.45408	0.4
85.02951	3.3
101.02418	0.6
103.04032	0.5
107.05041	1.7
109.02920	0.7
117.03443	0.7
133.02965	2.4
134.03752	3.4
135.04521	94.1
136.04855	4.4
157.04955	0.5
161.02444	5.8
162.04823	0.4
179.03491	100.0
180.03831	5.3
191.01962	0.5
275.24246	0.4
280.49451	0.4
289.07190	2.9
306.21301	0.5
307.08224	15.2
308.08502	1.4
310.05054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2485
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
55.42563	0.9
58.03656	0.8
61.98825	3.9
69.41051	6.0
74.95123	1.0
98.19957	2.0
150.71944	0.8
169.34615	1.1
260.14352	0.9
271.68997	0.9
305.24841	100.0
306.25189	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	306.1612
Annotation	Arboflorine
Peak:m/z	Relative Intensity
59.01378	0.5
61.64474	0.4
63.09371	0.4
69.64372	0.4
70.97050	0.9
71.01402	0.5
71.25236	0.3
86.68542	0.4
103.03994	0.5
106.06625	11.7
132.04630	0.4
142.06656	1.8
159.59799	0.4
161.07236	0.6
163.08771	100.0
164.09111	5.0
249.73959	0.4
271.16656	0.4
289.18155	1.9
294.50940	0.4
306.16107	35.6
307.16364	3.5
325.41547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1757
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01868	1.1
57.03437	3.2
59.01371	4.7
61.67303	0.8
61.98826	2.7
65.03956	3.3
69.03458	1.3
70.72449	1.1
70.72784	1.7
71.01392	0.8
71.05020	7.2
73.82377	0.8
78.62840	0.8
79.05530	14.9
83.05045	1.4
86.04385	0.7
93.03445	2.0
95.05028	1.8
97.06588	15.3
99.68485	0.9
106.04241	8.6
107.05018	3.2
109.06596	3.8
112.51090	0.8
117.07035	1.0
119.04985	1.9
120.05827	5.7
121.06608	4.4
123.08148	7.9
125.09718	17.6
129.72926	0.9
135.08156	100.0
136.08487	4.2
137.09756	1.6
151.11296	2.9
161.09753	1.0
162.06837	1.0
163.08759	5.4
163.11310	1.7
169.08649	0.9
171.10226	0.9
177.12825	1.4
183.10216	1.8
185.11829	2.2
189.12875	2.5
205.15926	6.7
207.10204	2.6
209.11795	2.4
221.11731	1.8
231.14008	1.0
233.11873	1.8
249.14934	48.5
250.15289	4.4
263.16440	2.6
269.15433	0.9
277.17804	0.8
287.16537	8.0
288.17038	1.2
305.17557	83.6
306.18192	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	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03439	1.7
59.01381	6.4
61.98821	3.1
71.05020	28.9
71.17683	2.0
76.93126	1.1
81.03452	3.0
93.03464	2.3
95.05025	14.8
97.02932	1.2
97.06583	2.2
102.89425	0.9
106.04230	1.7
107.05030	2.2
109.02946	1.9
109.06576	13.9
110.87379	1.0
111.04541	2.2
121.06602	5.5
122.03773	1.4
123.08141	1.6
127.07654	2.2
127.58979	1.1
128.83443	0.9
135.08179	5.4
147.04462	2.2
147.08151	3.5
149.02408	2.4
149.06120	1.1
149.09666	1.1
150.06786	2.3
161.06076	2.8
165.09215	9.5
175.15948	1.1
189.12834	11.7
205.15968	8.9
225.16484	1.1
231.13869	1.7
233.11792	6.0
243.17517	8.3
249.14911	11.0
261.18613	2.5
269.15308	2.6
287.16507	70.4
288.16837	5.4
289.14676	1.3
305.17581	100.0
305.21042	7.5
306.17865	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	305.07
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	40.0
60.57930	0.5
61.83550	0.5
65.14841	0.5
70.05695	2.0
79.95753	2.0
81.24817	0.5
81.59436	0.5
91.94905	0.6
96.96009	100.0
97.06593	1.3
98.20752	0.6
135.08148	0.7
147.08131	1.2
183.05565	0.5
197.88089	0.5
224.28362	0.5
225.11310	22.6
226.11676	1.4
259.50461	0.6
289.87857	0.5
305.06985	87.3
306.07330	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.07
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	35.9
60.01725	0.5
69.43285	3.6
79.95739	1.4
83.17917	0.5
88.34462	0.4
96.96007	100.0
97.06565	1.1
97.95953	0.5
98.19863	0.8
111.78111	0.5
128.03508	0.5
135.08153	0.6
142.87129	0.5
143.04607	1.0
145.63156	0.5
147.08147	1.7
165.09128	0.6
168.82686	0.5
175.07919	0.5
181.12299	0.9
225.11301	23.0
226.11653	1.5
272.08820	0.6
296.52112	0.5
305.06979	85.2
306.07352	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	305.1394
Annotation	Crassinervic acid
Peak:m/z	Relative Intensity
61.98819	0.3
70.72133	0.8
85.33443	0.3
91.01891	0.3
93.03457	51.9
94.03805	1.3
97.25497	0.3
119.15472	0.2
137.02443	100.0
138.02768	3.5
179.92339	0.3
185.11856	2.0
231.13846	0.6
261.14960	8.6
262.15320	0.8
291.01559	0.3
305.13931	6.8
305.17319	0.5
305.21356	0.6
306.14264	0.6
307.14975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45408	0.2
51.77388	0.3
57.01544	0.2
59.01375	3.9
60.01706	0.5
61.98831	100.0
69.22543	2.3
76.30653	0.3
98.19835	0.5
109.59520	0.3
109.90370	0.3
117.02314	0.4
119.00167	0.2
153.71269	0.3
159.01508	0.4
160.01653	1.2
161.01227	2.4
161.98959	20.2
162.99052	1.0
202.02634	0.4
203.02301	0.3
203.98216	0.4
203.99995	4.3
205.00099	0.3
239.87523	0.3
261.98956	0.5
303.82855	0.4
303.99982	14.8
304.02734	1.4
305.00064	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	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60759	0.3
54.94427	0.3
58.02975	36.1
59.03300	0.5
66.46085	0.3
71.29607	0.5
75.65554	0.3
77.53761	0.3
79.88882	0.4
106.11021	0.3
129.45613	0.3
163.04077	0.3
168.13930	100.0
169.14290	5.9
212.12851	2.0
271.32700	0.3
304.15994	0.4
304.19116	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	305.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.4
68.99571	67.9
71.01401	1.6
71.53185	1.6
105.53300	1.0
112.98565	100.0
113.98908	1.0
115.00343	2.3
128.03564	1.2
130.96603	2.1
133.01437	3.2
159.46658	0.9
188.97038	1.2
191.05571	1.4
202.95074	4.8
212.62976	1.1
212.93190	0.9
244.96178	4.5
254.07193	1.2
263.25693	1.1
306.08414	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	305.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.5
61.98833	0.7
68.65092	0.4
68.99570	77.3
71.01374	0.7
71.52928	0.4
71.53341	0.6
72.99310	2.1
89.02454	0.5
112.98562	100.0
113.98920	0.6
115.00394	0.7
117.10708	0.4
118.96613	0.8
130.96574	2.1
133.01405	1.8
142.97874	0.4
148.97652	1.1
188.97191	1.2
196.99353	0.7
202.93347	0.6
202.95114	6.8
232.62280	0.5
244.96133	5.6
245.01459	0.9
261.09030	0.5
277.85458	0.4
304.98178	0.5
306.08731	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	303.1601
Annotation	Platensic Acid Methyl Ester
Peak:m/z	Relative Intensity
58.02950	0.9
59.01369	1.7
61.98823	1.6
65.00995	0.5
65.15784	0.6
71.54309	1.0
78.95903	2.3
95.34902	0.6
121.02942	1.0
125.09715	1.2
127.44006	0.7
134.03740	47.7
134.89513	0.6
135.03946	1.4
137.09692	2.7
147.04538	2.2
161.02370	0.8
166.02713	36.7
167.03055	1.1
168.13881	3.4
173.06049	3.8
174.06738	0.9
175.04025	4.8
202.90065	0.7
218.86682	0.8
229.12318	4.4
245.04521	0.8
271.13416	10.9
272.13550	1.1
273.04147	1.5
285.18671	0.9
288.06363	0.9
303.16010	100.0
304.16385	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	303.1964
Annotation	monacolin L lactone
Peak:m/z	Relative Intensity
57.03453	0.8
59.01403	1.1
61.98838	0.6
63.24239	0.4
63.71093	0.4
69.27663	1.0
69.28067	2.3
99.92587	0.4
102.16258	0.4
107.64381	0.4
115.39836	0.4
121.42426	0.4
130.04257	5.7
133.06589	0.7
143.05029	2.5
144.05817	8.7
145.06598	8.6
146.07385	9.9
147.08159	3.6
155.89871	0.4
156.05766	3.0
157.06586	0.4
158.03815	1.0
158.07387	1.0
159.08192	1.3
176.04787	5.8
178.06352	9.8
178.07883	0.6
179.06630	0.4
183.08177	1.2
184.09052	0.4
185.09700	0.8
193.19106	0.4
194.05902	0.6
197.09737	0.7
198.10487	0.9
199.11336	0.5
211.11293	0.5
212.12115	0.6
215.14365	4.4
215.59579	0.4
219.23051	0.4
227.14432	1.8
234.05328	0.9
255.17506	8.1
256.17880	0.7
257.19141	1.6
267.17584	2.6
273.18588	5.7
274.18994	0.8
283.17114	1.5
285.18579	100.0
286.18930	10.7
303.19620	49.7
304.19983	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	303.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24003	2.2
57.03452	3.5
58.00580	3.2
59.01376	95.9
65.84396	2.1
66.64819	2.2
68.99805	3.2
71.01013	2.7
71.01380	34.6
71.54597	2.2
71.54986	2.3
72.99305	49.7
73.02964	3.1
75.00867	23.0
79.05516	5.3
81.03456	2.4
83.01401	2.6
85.02917	3.6
89.02439	63.0
95.05070	2.9
97.06597	19.7
99.00889	16.1
105.07072	3.3
105.65045	2.5
107.05024	4.6
108.02219	3.2
109.06570	7.7
111.08140	18.4
111.37815	2.4
112.98805	15.8
115.00314	2.8
117.01938	45.7
120.05799	7.0
121.06592	14.0
123.04463	4.2
123.08154	8.4
124.01627	5.2
124.98770	9.3
125.02415	4.4
125.06068	14.7
135.03015	15.8
135.04518	5.9
135.08195	5.1
137.02406	4.9
137.06064	4.9
139.07649	18.5
139.11273	2.4
140.98245	3.5
142.99857	100.0
143.38469	2.1
144.00259	2.8
149.06079	22.9
151.07632	3.4
153.05568	24.4
166.06351	3.2
167.05809	4.1
167.07138	36.3
167.53809	2.6
173.00906	22.0
174.01669	29.1
181.08720	20.2
185.11905	3.2
193.05042	11.2
199.13351	6.4
211.06168	5.8
213.07594	3.7
213.11282	5.1
225.07660	42.9
226.08061	2.7
233.49033	2.8
243.12199	2.9
303.03857	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	303.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.8
64.56039	1.0
68.01413	6.9
68.99814	5.0
69.20084	12.2
70.02969	3.7
71.01374	1.4
82.55654	1.3
83.13605	1.2
85.02934	4.6
93.51707	1.0
96.00909	3.8
97.01677	4.5
98.02475	65.3
98.32992	1.4
98.63172	1.1
99.25979	1.1
102.98585	3.4
110.02483	16.8
116.05063	21.8
124.28246	1.1
126.52471	1.2
130.05089	15.9
130.56133	1.2
145.02954	2.7
173.10043	13.6
211.34683	1.2
227.08250	100.0
228.08508	5.2
259.10733	2.4
261.11694	2.2
287.39120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0875
Annotation	4'-O-Methylcatechin
Peak:m/z	Relative Intensity
52.70003	0.7
57.03447	1.8
59.01385	2.1
65.03967	1.4
67.01901	0.9
69.03470	4.2
71.01398	1.0
71.54539	1.4
77.15853	0.7
81.03473	2.3
83.01390	16.7
85.02977	1.3
93.03471	5.1
95.01403	1.1
95.05037	4.5
97.02956	24.7
99.04552	1.0
107.05054	1.2
108.02158	3.7
109.02946	10.7
111.00870	1.0
121.02987	6.6
122.03748	6.7
123.04559	3.7
124.01657	1.8
125.02421	6.3
132.93466	0.7
135.04544	1.7
137.02452	100.0
138.02879	3.7
139.04002	6.3
145.02936	1.4
148.01671	1.8
148.04057	2.3
149.02373	3.9
150.03233	6.8
151.04007	3.4
153.05594	1.1
154.02744	1.4
156.72452	0.8
159.04510	2.3
160.05348	1.6
161.02423	3.6
163.04019	3.4
164.01151	2.4
165.01947	7.2
165.05576	6.6
166.02695	3.4
167.03482	2.5
176.04785	1.3
179.03482	1.8
183.04530	1.0
185.11823	1.3
186.03188	1.8
198.06865	0.8
200.04695	1.4
201.05629	4.4
202.06354	3.5
204.04237	4.8
213.08464	0.9
215.07181	1.7
217.08612	4.8
219.06679	6.4
220.07408	10.4
225.05585	1.5
226.06364	2.8
227.03593	1.3
229.04968	1.0
233.63167	0.8
235.09744	5.6
241.05013	1.9
241.08736	1.4
242.05740	1.1
243.06569	1.2
244.07446	9.6
246.05040	0.9
253.04919	1.1
259.09738	6.0
261.07675	2.1
266.86169	0.8
269.04504	2.2
270.05286	5.4
285.07697	8.8
286.08078	1.0
286.88663	0.9
288.06317	1.1
303.08740	91.4
304.09106	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	301.1809
Annotation	11alpha,17beta-Dihydroxy-1,4-androstadien-3-one
Peak:m/z	Relative Intensity
55.84157	0.7
57.03426	2.4
59.01370	2.0
61.98828	1.6
66.58575	0.8
70.44270	2.1
70.44627	1.2
79.25636	0.7
83.05022	38.0
84.05344	1.0
96.94734	0.7
99.80214	0.7
106.58533	0.7
109.04357	0.7
119.08656	2.1
121.02925	1.2
123.08165	7.8
130.04239	10.7
131.04962	2.5
132.05815	1.8
133.06575	3.2
134.03729	2.0
137.09647	2.1
143.05061	4.0
143.06009	0.7
144.05815	12.9
145.06598	19.3
146.07336	3.9
147.08157	28.1
148.08453	1.3
151.00320	1.8
156.05794	3.6
157.06523	1.1
158.07344	1.0
159.08116	1.7
164.04843	0.8
172.82813	0.8
176.04784	11.2
178.06303	5.2
181.06564	0.8
183.08095	1.3
184.08913	0.8
185.09705	2.6
187.11259	12.4
194.05841	2.3
197.09727	4.4
198.10521	7.1
199.11273	16.2
212.12151	0.9
213.12823	9.0
214.13193	0.9
223.11270	2.8
225.12839	6.1
253.15974	5.6
254.16235	0.9
255.17538	2.4
263.14532	1.5
265.15952	8.8
266.16251	1.5
271.17023	15.5
272.17325	1.5
283.17026	100.0
284.17349	9.5
300.99951	1.4
301.03381	2.4
301.18079	83.9
302.18475	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	302.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	13.8
61.98830	29.8
64.57910	6.3
71.17468	12.3
87.21750	5.5
93.03459	100.0
94.03787	61.5
136.01591	6.4
219.97623	7.6
247.66803	6.3
288.71716	6.3
302.14633	9.9
302.17709	18.6
310.35345	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
59.96719	0.4
60.97517	0.8
69.10568	0.2
69.38117	2.2
74.30240	0.2
74.98732	0.3
74.99105	0.9
94.02194	0.3
118.96272	0.6
134.99399	4.4
135.00345	0.5
136.97337	1.4
141.07487	0.3
143.05333	2.0
150.98859	0.5
159.08481	1.1
161.06410	3.9
162.06728	0.3
201.04135	0.5
203.05629	2.4
205.03641	0.7
215.05684	0.4
216.11687	0.4
217.07199	74.1
218.07330	6.2
261.06180	0.3
283.11758	0.4
285.10132	0.4
285.13464	32.1
286.13660	3.7
301.16589	100.0
302.16779	12.0
307.05695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1809
Annotation	CHEBI:70566
Peak:m/z	Relative Intensity
59.01374	1.8
61.98826	1.8
69.74917	1.2
69.75328	2.1
91.65059	0.6
96.02795	0.6
121.02748	0.6
139.04062	1.0
160.05293	27.2
161.05641	1.5
170.19365	0.6
171.41748	0.7
192.04277	24.1
193.04643	0.8
199.07564	1.6
200.08478	0.9
220.32701	0.7
283.17072	0.9
301.00027	1.4
301.03165	1.5
301.18085	100.0
302.18442	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	301.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.4
60.39056	0.6
62.04969	0.6
66.29957	0.7
71.55299	0.9
83.01383	1.0
87.00859	1.1
105.01929	4.9
109.83301	0.6
121.02905	1.1
130.04231	0.6
130.33382	0.5
134.03757	1.6
136.07649	1.0
139.04012	1.1
151.00374	1.9
163.66682	0.7
183.13905	19.8
187.67191	0.6
195.13907	11.2
196.14175	0.9
213.14957	100.0
214.15295	5.3
301.00125	1.5
301.03470	4.6
301.16565	7.0
301.20383	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	301.1444
Annotation	Pestaloficiol K
Peak:m/z	Relative Intensity
59.01373	1.4
61.98821	2.1
71.08894	1.1
93.03458	100.0
94.03789	2.9
95.01386	2.9
99.92670	0.4
102.97218	0.4
108.02173	4.9
119.05116	0.4
123.00884	0.6
123.09589	0.4
127.11407	0.4
136.01643	3.7
151.00362	0.5
229.15915	0.9
271.17035	0.4
300.99899	1.0
301.03348	0.8
301.14487	4.2
301.17810	0.8
301.21552	0.6
302.14615	0.8
302.17709	0.4
310.44724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1446
Annotation	3,3'-Dihydroxyhexestrol
Peak:m/z	Relative Intensity
57.03450	1.4
59.01379	3.4
61.98839	4.0
78.95906	4.6
83.05028	2.6
103.22481	0.9
113.06090	21.7
121.02968	2.6
121.06606	34.5
122.06898	1.1
134.03738	39.5
135.04558	13.4
135.08163	5.1
136.89113	1.0
137.10020	0.8
139.03952	1.1
147.04510	4.3
151.00407	1.0
151.04143	0.9
157.06589	1.1
164.98343	1.1
166.02718	39.8
167.03088	1.1
171.04533	3.4
172.50128	0.8
173.06100	1.7
174.06892	4.1
175.07625	2.8
184.05351	0.8
187.07620	10.8
199.07487	1.2
211.07664	10.6
219.97787	1.1
225.12828	4.8
227.10786	1.1
241.12392	1.5
254.24326	0.9
269.11832	36.5
270.12158	3.1
287.12903	3.0
300.99918	1.9
301.03519	3.7
301.14453	100.0
301.21390	2.1
302.14713	10.3
302.17740	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	301.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54648	0.4
55.88470	0.4
57.28636	0.4
59.01365	1.6
63.02372	0.5
65.00320	1.2
69.03450	0.9
71.01382	19.3
71.05022	0.5
71.55124	0.6
73.02947	0.7
81.01537	0.4
83.01391	1.3
93.03446	1.3
100.17967	0.4
102.40883	0.4
102.98642	0.4
107.01375	2.0
109.02960	1.6
113.09743	3.4
114.99574	0.6
115.00375	9.5
115.07657	1.5
118.98068	1.1
119.05121	0.5
119.65103	0.4
121.02927	3.0
124.01698	0.7
125.09746	0.8
137.02432	4.9
139.04054	1.1
139.11269	0.4
151.00377	6.0
163.00450	0.9
163.04060	0.4
165.01935	17.1
166.02299	0.8
167.10759	0.5
178.99796	2.0
183.10239	0.5
184.19562	0.4
185.11826	100.0
186.12164	5.5
197.02354	0.5
211.04097	0.5
241.14659	0.4
243.20193	0.4
245.04488	1.2
251.62308	0.5
255.02922	0.9
256.03314	0.6
257.04578	0.6
259.15491	0.6
272.02890	1.5
273.04156	0.8
301.03476	13.8
301.06711	0.5
301.12967	0.8
301.20416	0.5
302.03857	1.0
305.05307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0929
Annotation	Isotachioside
Peak:m/z	Relative Intensity
55.01894	0.2
57.03446	0.2
59.01377	0.6
63.02392	0.7
70.86330	0.5
71.01380	3.5
73.02938	1.2
83.01385	0.3
85.02954	1.4
95.01402	0.2
95.05019	0.3
96.02187	0.6
97.02946	0.5
99.00873	0.5
101.02454	2.3
113.02454	1.6
114.87402	0.2
118.23972	0.2
120.15019	0.2
124.01666	47.0
125.01985	1.6
126.71390	0.2
129.10307	0.3
139.04016	100.0
140.04358	3.7
159.02946	0.4
161.04555	2.6
163.03955	0.3
178.61765	0.2
181.05038	0.2
282.99478	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29641	0.6
56.40617	0.7
57.03444	4.4
59.01384	1.8
62.48489	0.6
65.00317	0.9
69.03117	1.1
69.03458	12.7
71.05022	3.0
71.05396	0.6
71.54875	0.9
73.02950	2.3
89.02420	0.8
93.03467	1.0
103.43678	0.6
107.01390	3.1
109.02979	1.9
111.08175	3.2
113.06100	1.8
117.01929	1.3
121.02973	1.8
123.04483	0.7
123.08205	1.3
139.04016	1.1
139.11290	16.8
140.11627	1.1
150.77882	0.6
151.00371	7.4
152.00723	0.9
163.00343	0.6
178.99870	2.3
183.10262	100.0
184.10576	4.6
199.08604	0.7
201.05521	0.7
211.03969	1.1
215.23676	0.7
223.27055	0.6
227.03410	1.1
228.03934	0.9
244.03331	1.6
255.02968	1.8
256.03238	3.4
257.04584	2.3
271.02502	0.8
272.02859	6.6
273.03345	0.9
301.03378	25.4
301.12900	11.9
302.03784	1.9
302.13370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24923	0.3
55.59024	0.4
59.01385	3.9
63.02402	6.8
65.00326	15.0
67.98161	0.4
70.29179	1.2
70.29513	0.4
73.02947	0.7
73.77087	0.3
75.66002	0.3
83.01392	8.5
93.03462	3.6
95.01398	0.6
107.01395	20.7
108.99371	0.5
109.02951	2.5
121.02963	19.7
122.03326	0.6
124.01686	0.7
125.02417	0.5
139.04018	2.3
145.03001	0.5
147.04465	0.5
149.02425	3.1
151.00374	61.9
152.00684	2.8
159.04521	0.9
161.02460	1.4
163.00378	1.4
163.04021	0.8
164.01141	1.4
165.01892	0.9
169.01439	1.5
175.04041	0.8
178.99864	21.4
180.00194	0.8
183.04553	0.4
185.06010	0.4
187.04024	1.1
193.01379	1.4
201.05704	0.8
203.03545	0.5
205.05070	0.8
211.03987	0.8
215.03468	0.7
217.04900	0.4
227.03464	0.8
227.12895	0.6
228.04333	0.4
229.05049	1.9
239.03273	0.5
243.02925	0.9
245.04515	1.6
255.02957	1.1
257.04575	0.9
257.12979	1.4
273.04135	2.8
283.15515	0.5
299.01889	0.5
301.03534	100.0
301.16550	1.5
301.20291	1.2
302.03879	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	301.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
61.98852	0.1
66.20138	0.2
67.01894	0.4
68.99836	0.2
69.03448	0.5
73.76955	0.1
77.03961	1.3
83.01389	1.0
83.05022	0.3
85.02962	0.2
93.03452	1.7
95.01392	0.5
97.02949	3.8
107.01357	0.2
109.02949	0.7
121.02956	5.9
122.03304	0.2
135.04549	0.2
137.02441	22.5
138.02702	0.7
139.04013	0.3
151.00278	0.1
165.01923	100.0
166.02251	4.1
166.03656	0.2
170.45059	0.1
185.11823	0.5
273.03934	0.2
283.17032	0.8
301.03513	5.4
301.06760	0.2
301.10910	0.2
301.17902	0.5
301.21371	0.2
302.03833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1817
Annotation	3-hydroxy-cis-5-octenoylcarnitine
Peak:m/z	Relative Intensity
50.13853	0.5
55.62727	0.5
56.38285	0.5
57.03428	0.7
59.01373	0.7
60.99301	2.2
69.50576	0.9
69.50975	3.1
72.00900	1.7
72.04539	3.9
74.02472	100.0
75.02802	0.9
78.13162	0.5
83.04979	0.5
84.04527	1.4
104.03539	16.9
108.96324	0.5
111.08167	0.6
117.19810	0.5
122.03949	0.5
165.12839	1.3
177.12878	0.6
181.16043	0.7
192.54575	0.4
194.15540	0.7
196.17052	3.1
208.17050	13.6
209.17357	0.9
213.14940	0.8
220.17108	4.7
238.18155	2.8
270.17096	41.6
271.02414	1.2
271.17456	3.3
281.26331	0.5
300.02667	1.4
300.18143	72.2
301.18472	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	301.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42909	0.3
59.01380	98.9
60.01722	1.0
62.24251	0.3
62.31892	0.3
69.72789	2.0
70.52480	0.4
74.63070	0.3
83.42070	0.4
86.92605	0.4
91.01628	0.3
98.20605	0.3
115.02525	11.6
116.98624	0.4
117.00453	6.9
117.61465	0.4
118.00566	0.6
141.00494	0.5
156.93066	0.4
156.99931	0.8
157.03539	2.9
159.01500	100.0
159.90616	0.6
160.01637	8.1
201.02556	23.2
202.02696	1.7
209.26799	0.3
217.00513	0.9
241.00468	0.3
257.03955	0.4
259.01608	3.3
260.01758	0.7
283.01602	0.4
301.02667	54.6
302.02786	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	300.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
60.01682	0.5
61.98829	100.0
69.79749	2.7
70.60104	0.5
78.95916	1.6
79.23205	0.5
117.01105	0.5
134.89458	1.0
136.89125	0.8
138.05568	0.7
165.76355	0.5
285.03613	2.7
300.06058	2.4
301.00021	0.9
301.23981	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	300.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.4
63.02374	1.1
65.00322	2.1
69.58411	1.6
71.24528	0.3
72.03304	0.2
74.02479	1.3
83.01385	0.8
91.01891	0.7
93.03467	0.4
107.01384	4.7
108.02176	4.1
109.02947	1.3
120.02154	0.4
121.02934	2.1
123.00950	0.3
124.01630	0.5
134.09752	0.3
135.00891	2.8
138.05585	0.4
139.04066	0.4
143.04997	0.3
147.00935	0.6
148.01660	4.5
149.02354	0.6
149.67200	0.2
151.00352	8.1
155.05042	0.5
159.04475	0.5
163.00369	2.2
164.01147	1.4
171.04489	1.0
173.02382	0.3
174.03247	0.3
175.03893	0.3
178.99849	2.6
183.04520	1.2
185.02431	0.4
187.03995	1.2
190.99879	0.3
192.00673	0.5
197.02402	0.4
198.03214	0.8
199.04002	4.6
200.04443	0.6
201.02029	1.6
201.05461	0.3
202.02698	0.3
203.03523	1.3
211.03934	2.1
213.01874	0.7
215.03473	2.7
216.04193	0.9
226.02724	2.3
227.03474	6.2
228.03925	0.4
229.01360	1.1
229.04922	0.5
233.42899	0.3
240.12396	0.4
242.02116	0.7
243.02954	20.0
244.03386	1.6
245.04449	0.7
254.02158	2.7
255.02963	32.3
256.03351	2.8
271.02457	74.6
272.02899	7.5
273.03806	0.7
283.02374	0.4
285.03674	0.4
299.01892	1.6
300.02722	100.0
301.03345	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	300.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56919	0.2
59.01370	0.6
63.02398	1.2
65.00329	2.0
67.97849	0.2
70.58523	0.2
74.02464	0.9
76.97425	0.2
77.93316	0.2
83.01392	1.2
88.63660	0.2
91.01890	0.6
93.03459	0.5
107.00721	0.3
107.01392	4.1
108.02174	3.8
109.02971	1.4
110.19408	0.2
111.00854	0.2
119.01385	0.3
120.02203	0.3
121.02943	2.4
123.00838	0.4
124.01649	0.7
135.00877	1.9
139.04015	0.4
139.42596	0.2
143.05026	0.5
147.00845	0.8
147.04356	0.2
148.01668	4.5
149.02345	0.3
151.00360	9.8
152.01161	0.4
155.04987	0.4
159.04492	0.6
161.02428	0.3
163.00374	2.5
163.04059	0.2
164.01147	1.6
167.05023	0.2
171.04507	1.0
173.02455	0.3
175.03987	0.5
178.99846	2.7
182.03670	0.3
183.04535	1.1
185.02454	0.4
187.04034	1.7
190.99886	0.2
192.00615	0.8
197.02441	0.4
198.03223	0.8
199.03973	4.1
200.04500	0.3
201.01955	1.6
201.05531	0.4
202.02504	0.3
203.03513	1.3
209.11893	0.3
211.03992	2.0
212.04437	0.3
213.01950	0.8
214.02643	0.4
215.03513	3.0
215.05466	0.3
216.04202	0.7
226.02727	1.7
227.03467	7.5
228.03957	0.8
229.01414	1.1
229.05017	0.4
239.03731	0.3
240.12454	0.4
242.02127	0.6
243.02960	20.2
244.03307	1.7
245.04474	0.6
254.02150	2.7
254.04538	0.3
255.02966	31.5
256.03348	2.3
258.13504	0.3
271.02457	75.6
272.02872	7.1
273.03943	0.7
283.02463	0.7
299.01999	1.8
300.02725	100.0
301.03375	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	299.2591
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
53.43543	0.4
59.01375	1.3
61.98831	0.8
69.37717	0.3
70.38449	0.5
70.38806	1.1
93.03462	0.4
102.17126	0.3
137.02373	0.7
139.11324	0.5
141.12878	2.1
145.02950	0.6
148.60098	0.4
185.00749	0.6
190.99911	1.0
199.04042	0.5
217.00256	1.1
227.03537	0.6
240.04312	0.8
250.97383	0.4
253.25362	1.0
255.03076	0.7
256.03693	0.6
281.24704	1.8
283.02493	0.8
284.03281	13.0
285.03650	1.7
295.17508	0.4
297.24228	0.9
299.02112	0.7
299.05594	8.6
299.20367	34.5
299.25876	100.0
300.05835	0.7
300.20651	4.2
300.26205	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	299.1651
Annotation	11alpha-Hydroxyandrosta-1,4-diene-3,17-dione
Peak:m/z	Relative Intensity
57.03437	3.7
59.01362	3.0
65.00323	6.0
68.99847	0.7
70.54568	2.2
83.05024	100.0
84.05345	2.3
95.05031	1.1
103.05537	1.1
107.05002	0.9
109.72314	0.7
110.00093	10.3
113.61391	0.7
115.05486	1.3
119.05013	0.9
119.08630	1.1
119.59258	0.7
121.06614	1.6
123.04528	10.6
123.08172	9.3
129.03461	1.1
130.04248	24.7
133.02954	6.3
133.06589	3.7
135.08170	1.6
136.98770	2.3
137.09668	2.3
137.99524	1.9
143.05046	5.9
144.05820	5.4
145.06596	52.8
146.06970	2.1
147.04492	2.3
149.99542	1.5
155.04980	1.4
156.05769	2.2
157.06473	0.9
159.04475	1.5
160.05286	8.2
162.06863	1.3
163.07608	3.1
164.98286	8.8
165.99060	8.4
169.02939	3.6
171.04550	2.0
173.02409	1.2
173.09685	1.2
175.07556	1.2
176.04726	1.4
181.02884	1.0
181.06578	3.2
183.04445	4.0
185.09702	13.4
186.10161	1.1
186.57492	1.0
187.03999	0.9
190.06882	0.8
190.99957	0.8
192.04240	8.8
194.05896	1.1
197.02431	4.3
197.09708	7.2
199.03984	2.9
202.91972	0.8
203.10797	3.9
211.11281	3.0
213.01956	4.0
215.03473	8.9
215.10742	14.4
217.00313	1.9
221.09692	1.9
223.11273	3.3
226.34265	0.8
227.03464	3.7
240.04230	1.0
241.01462	3.9
241.12305	5.3
243.02914	2.4
253.15923	1.8
255.02954	3.3
256.03732	1.1
263.14160	0.8
269.00876	16.4
269.15463	16.6
270.01358	2.1
270.15906	1.7
271.02417	11.4
272.02628	1.3
281.15411	10.2
281.18210	1.2
283.02374	1.1
284.03250	32.0
285.03571	3.2
299.01944	36.7
299.05569	23.7
299.16498	70.5
300.02322	3.6
300.05920	3.1
300.16837	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	299.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18595	0.6
57.03449	9.2
59.01370	1.1
64.07587	0.7
64.64039	0.6
70.81898	1.6
73.02943	2.8
81.03474	0.6
83.05019	5.0
85.02956	7.3
85.06596	2.8
87.03362	0.7
87.04522	1.0
91.08192	0.7
97.06603	0.9
99.04523	1.3
99.08166	1.1
123.08180	1.3
133.93890	0.7
137.09721	1.5
139.11281	2.4
149.09702	2.1
151.11296	2.6
163.11264	3.6
165.12862	1.8
167.14375	1.2
169.12309	7.0
177.12892	1.6
179.10785	1.2
181.12364	0.8
190.88995	0.7
195.13898	100.0
196.14256	6.2
207.07718	0.7
209.15277	0.7
237.15039	1.0
255.16045	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	299.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87508	0.4
70.03238	1.2
117.03468	11.4
118.04250	1.2
119.05031	19.4
120.05352	0.8
121.02963	3.7
123.04528	0.9
132.05811	0.7
133.02937	1.4
134.03789	0.5
140.36954	0.4
145.02957	35.1
146.03307	1.5
147.04552	0.4
162.01468	0.4
162.03242	1.5
163.04010	11.5
164.04404	0.5
284.03247	0.8
289.13931	0.4
299.16522	100.0
299.25626	2.9
300.16888	11.9
300.20346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.7
59.01362	3.0
65.00323	6.0
68.99847	0.7
70.54568	2.2
83.05024	100.0
84.05345	2.3
95.05031	1.1
103.05537	1.1
107.05002	0.9
109.72314	0.7
110.00093	10.3
113.61391	0.7
115.05486	1.3
119.05013	0.9
119.08630	1.1
119.59258	0.7
121.06614	1.6
123.04528	10.6
123.08172	9.3
129.03461	1.1
130.04248	24.7
133.02954	6.3
133.06589	3.7
135.08170	1.6
136.98770	2.3
137.09668	2.3
137.99524	1.9
143.05046	5.9
144.05820	5.4
145.06596	52.8
146.06970	2.1
147.04492	2.3
149.99542	1.5
155.04980	1.4
156.05769	2.2
157.06473	0.9
159.04475	1.5
160.05286	8.2
162.06863	1.3
163.07608	3.1
164.98286	8.8
165.99060	8.4
169.02939	3.6
171.04550	2.0
173.02409	1.2
173.09685	1.2
175.07556	1.2
176.04726	1.4
181.02884	1.0
181.06578	3.2
183.04445	4.0
185.09702	13.4
186.10161	1.1
186.57492	1.0
187.03999	0.9
190.06882	0.8
190.99957	0.8
192.04240	8.8
194.05896	1.1
197.02431	4.3
197.09708	7.2
199.03984	2.9
202.91972	0.8
203.10797	3.9
211.11281	3.0
213.01956	4.0
215.03473	8.9
215.10742	14.4
217.00313	1.9
221.09692	1.9
223.11273	3.3
226.34265	0.8
227.03464	3.7
240.04230	1.0
241.01462	3.9
241.12305	5.3
243.02914	2.4
253.15923	1.8
255.02954	3.3
256.03732	1.1
263.14160	0.8
269.00876	16.4
269.15463	16.6
270.01358	2.1
270.15906	1.7
271.02417	11.4
272.02628	1.3
281.15411	10.2
281.18210	1.2
283.02374	1.1
284.03250	32.0
285.03571	3.2
299.01944	36.7
299.05569	23.7
299.16498	70.5
300.02322	3.6
300.05920	3.1
300.16837	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	299.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68509	0.7
55.01870	1.5
57.03451	4.2
58.00590	4.5
59.01379	100.0
60.01719	1.0
71.01382	53.0
72.01722	1.1
72.99306	2.9
73.02956	2.8
83.01397	2.9
83.05045	2.1
85.02958	11.9
85.03467	0.8
85.10513	0.6
87.00881	2.4
89.02444	68.5
90.02770	0.8
93.03459	35.8
94.03813	1.1
94.61565	0.5
95.01373	3.1
98.20598	1.4
99.00877	0.6
99.08178	0.6
100.49135	0.5
101.02443	27.7
101.03107	1.4
102.28034	0.6
113.02449	22.3
119.03523	29.3
119.05019	37.5
120.05379	2.1
125.02498	0.9
127.57632	0.6
130.17157	0.5
131.03506	2.2
137.02446	52.3
137.06027	3.0
138.02808	2.0
138.05618	3.8
143.03502	3.9
149.04558	2.2
149.09749	1.0
161.04594	2.7
165.12892	1.1
169.12370	2.4
179.05629	4.3
195.13907	22.7
196.14262	1.3
213.15045	1.0
299.11322	6.0
300.11316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	12.8
59.01380	3.8
70.59474	1.7
71.01385	1.6
73.02949	3.5
77.20724	0.5
78.95907	5.1
83.05019	7.0
85.02948	8.7
85.06596	2.7
89.02469	0.9
93.03458	2.5
95.05020	1.1
96.96953	1.9
97.06602	1.2
99.04536	1.2
99.08153	1.6
101.02483	0.7
102.98578	0.8
109.06577	0.7
111.04543	0.6
113.06068	0.6
115.04251	0.5
122.37560	0.5
123.08199	3.4
132.02899	0.7
135.04605	0.7
135.08215	0.5
137.02434	3.6
137.09726	1.9
138.05600	1.5
139.11288	1.9
149.04585	0.5
149.09734	3.7
151.11244	2.4
163.11311	3.2
165.12822	1.5
167.14503	0.9
169.12326	8.2
177.12862	1.8
179.03430	0.8
179.10715	1.0
195.13898	100.0
196.14268	5.9
209.15488	1.2
213.14932	1.1
237.14960	1.0
243.97258	0.5
255.16028	2.1
256.16367	0.7
261.13773	0.5
284.03275	1.1
299.08145	0.9
300.04977	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	299.1136
Annotation	Salidroside
Peak:m/z	Relative Intensity
55.01878	1.6
57.03448	4.6
58.00592	3.4
59.01378	100.0
60.01735	1.3
62.87880	0.6
69.96622	1.2
69.97038	2.0
71.01380	53.7
72.01707	0.9
72.99297	3.8
73.02965	2.3
73.98199	0.6
83.01378	2.2
83.05043	2.1
85.02948	14.4
85.06622	0.7
87.00887	1.9
89.02442	72.2
90.02813	1.8
91.33319	0.7
93.03458	35.8
94.03790	0.9
95.01391	3.6
99.08224	0.7
101.02438	29.8
113.02455	22.7
115.21773	0.6
119.03513	31.9
119.05011	36.4
119.85567	0.8
120.05418	1.4
123.03366	0.8
123.08195	0.9
131.03520	2.7
136.96706	0.7
137.02443	54.9
137.06010	3.1
138.02821	2.2
138.05588	5.3
139.11340	0.7
143.03540	3.1
149.04575	1.6
149.09763	0.8
161.04552	3.4
163.11285	1.3
169.12402	1.9
179.05530	3.7
195.13899	28.7
196.14360	1.9
213.14859	0.9
255.15950	0.8
257.13879	0.8
284.03329	0.8
297.96445	0.7
299.07959	1.2
299.11172	6.0
300.11526	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.4
59.01379	4.0
65.00333	1.6
69.03461	9.2
70.36623	4.0
71.01385	86.4
71.05021	2.1
72.01724	1.3
73.02956	2.1
85.06591	1.9
93.03436	3.4
93.71545	0.9
107.01387	1.7
108.02164	1.8
111.08150	2.8
115.00381	23.2
123.04538	1.7
123.08198	1.5
133.03029	1.1
137.02440	3.8
137.09662	1.2
139.11276	14.2
143.05046	1.8
148.01646	1.2
151.00331	2.1
163.00331	2.1
165.99092	1.7
171.04539	1.9
180.68793	0.9
183.04518	1.8
183.10263	100.0
184.10580	6.4
187.04054	1.6
195.13820	2.4
199.03993	3.8
211.03973	1.5
215.03514	3.5
227.03578	5.3
240.04396	1.4
243.03015	10.0
255.03011	15.9
271.02466	43.4
283.02463	1.0
284.00299	1.7
284.03253	14.5
285.03601	1.0
299.01932	15.0
299.05591	11.5
299.11322	2.6
299.14743	1.4
299.18689	3.2
300.02768	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0772
Annotation	glucosyl salicylate
Peak:m/z	Relative Intensity
53.84892	0.3
57.03438	1.2
58.00587	0.5
59.01380	10.5
60.32610	0.3
62.40614	0.2
65.03961	0.4
69.87292	1.6
70.58052	0.3
71.01378	6.9
72.99276	0.5
73.02940	0.9
83.01379	0.6
83.05037	0.4
85.02959	2.6
89.02444	7.5
89.59283	0.3
93.03457	65.4
94.03784	1.8
97.06609	0.3
101.02445	3.6
113.02460	2.6
119.03517	2.6
119.05018	3.8
137.02441	100.0
138.02783	4.4
138.05608	0.5
156.57895	0.3
161.04572	0.7
169.12335	0.5
179.05617	0.4
195.13887	7.8
196.14238	0.6
198.96828	0.3
210.62686	0.3
270.97760	0.4
293.39709	0.3
299.07730	1.3
299.11090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09575	0.7
59.01390	5.5
61.74042	0.7
65.00325	1.2
71.01379	2.6
71.54675	1.0
85.02972	1.5
89.02451	3.4
91.01897	12.5
95.01400	1.1
101.02490	0.8
108.02175	3.4
111.00873	1.0
113.02452	1.3
119.05063	1.0
123.00883	0.6
123.04534	39.3
124.01662	0.8
124.04892	1.5
131.03499	0.8
131.07159	0.9
136.22092	0.6
137.02446	1.7
138.05623	1.8
142.08829	0.7
149.04575	1.6
152.01149	2.3
157.70724	0.7
163.00420	0.7
167.03497	100.0
168.03827	4.8
179.03377	0.7
186.07753	1.0
195.13945	2.8
227.03455	1.4
239.12967	1.4
255.02965	1.3
257.13956	5.8
284.03403	4.8
299.02252	1.5
299.05716	2.6
299.11542	1.3
299.14929	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0773
Annotation	glucosyl salicylate
Peak:m/z	Relative Intensity
56.47595	0.3
57.03453	4.2
59.01379	5.1
71.01379	6.3
71.22899	0.5
73.02950	1.4
80.77260	0.3
83.01418	0.5
83.05033	1.8
85.02953	3.6
85.06578	0.8
88.18800	0.3
89.02451	3.9
93.03461	55.5
94.03775	2.0
95.01327	0.3
99.08177	0.5
101.02426	2.1
113.02444	1.6
119.03512	1.4
119.04992	1.8
123.08170	0.9
130.49185	0.3
131.03564	0.4
137.02449	100.0
137.09688	0.6
138.02803	3.6
138.05571	1.5
139.11298	0.7
141.78371	0.3
144.00769	0.3
149.09731	0.5
151.11253	0.7
161.04527	0.8
163.11275	0.8
165.12825	0.4
167.03444	0.4
167.42729	0.3
169.12349	2.8
172.25655	0.3
177.12903	0.6
180.18065	0.3
186.38815	0.4
187.15137	0.3
195.13908	30.3
196.14259	2.0
243.58699	0.3
255.16118	1.2
284.03262	1.2
299.07764	1.3
299.10892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
63.90959	0.4
69.88263	1.4
72.12246	0.4
77.84808	0.4
78.74697	0.4
117.03496	0.5
121.02934	0.5
136.58488	0.4
139.11316	0.4
149.00957	1.7
155.14415	1.0
158.33054	0.4
169.07692	0.4
183.01202	2.4
183.13892	1.4
199.13359	3.4
210.21565	0.4
261.22406	0.5
264.98422	0.8
279.23288	6.6
280.23865	0.7
295.22882	0.9
297.04681	2.8
297.15344	6.7
297.24338	100.0
298.15750	0.6
298.24686	10.4
304.47675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.2
71.17038	0.4
71.17345	0.5
73.21935	0.3
91.50755	0.4
93.03450	1.1
93.04590	0.4
99.09339	0.3
105.03466	1.1
108.02163	0.4
117.03463	35.8
118.04309	4.8
119.05028	15.0
119.05695	0.3
120.05353	1.1
121.02956	37.3
122.03306	1.4
123.04522	12.5
124.04858	0.4
132.02196	0.3
133.02953	7.5
134.03743	4.0
136.97168	0.4
145.02948	7.6
149.02417	1.0
162.03229	17.6
163.04010	26.7
164.04341	1.4
183.01213	4.9
184.01959	0.7
184.08931	0.6
223.11198	0.8
238.13831	0.5
253.16031	3.2
254.16646	0.4
274.89554	0.4
297.14981	100.0
297.24139	4.8
298.15305	9.8
298.24533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78669	0.5
51.58624	0.4
54.85556	0.4
57.03423	0.4
59.01380	1.7
63.77519	0.4
67.11868	0.4
67.14156	0.4
71.31377	0.7
73.02943	2.3
74.13152	0.4
80.05655	0.5
92.26907	0.4
111.29935	0.4
114.76286	0.4
117.03502	0.4
121.02943	0.4
125.09740	0.8
133.32181	0.4
141.12842	0.8
142.78880	0.4
153.12933	0.5
155.10748	2.5
163.03970	0.4
167.32430	0.4
171.10281	4.2
183.01218	5.7
184.01840	0.7
226.06180	0.4
231.81419	0.4
253.25302	0.8
279.23300	7.7
280.23654	1.0
297.04642	1.0
297.15329	11.4
297.24350	100.0
298.15536	0.9
298.24673	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	Unknow
Peak:m/z	Relative Intensity
51.16105	0.4
59.01382	1.9
61.98812	1.2
71.43156	0.5
79.95782	0.4
130.04231	1.5
170.00381	0.4
173.02458	1.1
174.03206	7.7
175.03584	0.5
183.01196	16.2
183.13853	3.2
184.01912	3.4
187.04019	0.6
197.02805	0.6
206.02200	6.5
207.02596	0.5
211.03986	0.7
213.05536	4.0
214.06287	0.7
216.00929	1.5
227.07133	2.3
228.07829	2.2
279.23264	1.3
297.15060	100.0
297.24271	16.1
298.15372	9.3
298.24710	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1496
Annotation	Auraptene
Peak:m/z	Relative Intensity
59.01381	6.3
61.98812	2.0
71.01364	0.8
71.01961	1.7
79.95753	1.0
87.00855	0.6
89.37078	0.7
112.98539	0.7
113.35970	0.7
117.03467	23.9
119.05039	4.8
121.02957	9.9
123.04518	3.0
127.49282	0.6
133.02933	2.2
134.03690	1.3
145.02956	76.8
146.03290	3.2
151.11255	2.0
155.09036	0.7
157.08681	1.1
162.03183	3.5
163.04022	8.3
183.01204	26.6
184.02007	3.2
197.02634	0.8
216.01012	1.6
237.09738	1.9
253.15971	0.9
279.23300	2.1
297.15143	100.0
297.24301	19.2
298.15411	8.9
298.24524	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	297.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	36.6
59.01379	28.2
65.86220	1.7
69.03465	2.0
69.60133	12.1
73.02950	3.4
78.71836	1.7
81.03481	2.1
85.02948	2.9
99.04506	2.9
104.63914	1.7
109.06591	15.5
111.04509	7.8
120.38603	1.9
121.06562	1.8
123.08104	2.5
129.44456	1.8
135.08167	27.6
137.09721	15.7
149.09732	5.1
163.11287	11.2
167.03481	2.3
167.10774	10.0
171.10635	1.8
177.09204	45.9
178.09538	2.6
191.10754	7.3
193.12329	100.0
194.12706	3.6
211.13425	22.2
217.12292	4.3
235.13362	20.0
253.14569	2.6
266.62933	1.9
271.75119	1.8
293.45929	1.8
312.60126	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90162	0.3
53.92076	0.4
57.68466	0.4
59.01367	2.5
61.98825	0.4
63.70318	0.3
64.04478	0.3
67.56530	0.3
71.11076	0.3
78.94137	0.3
79.95744	0.6
108.02207	0.3
111.09713	0.3
113.79548	0.4
136.27986	0.3
145.02956	2.4
146.03659	0.5
173.02451	0.8
174.03203	6.1
175.03442	0.4
177.01984	0.3
178.02699	0.5
183.01210	7.0
183.08122	0.6
184.01718	0.3
187.03999	0.8
197.02771	3.4
206.02180	6.1
207.02466	0.5
213.05571	2.3
227.07140	1.1
228.07916	1.7
297.14996	100.0
298.15320	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	297.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06383	1.5
56.16175	1.6
57.03450	37.2
57.57336	1.8
59.01378	27.9
69.03451	3.1
69.29929	14.6
73.02946	3.2
78.22850	1.5
78.45023	1.5
79.62281	1.7
83.05033	2.0
85.02955	6.3
85.36584	1.6
99.04550	2.6
109.06592	16.0
111.04514	7.5
115.11139	1.7
121.06580	2.3
123.08132	4.1
125.09705	1.7
135.02982	6.0
135.04527	1.8
135.07217	2.2
135.08170	25.5
137.09721	17.8
149.09668	4.5
149.32846	1.6
154.32925	1.7
157.69563	1.7
163.11276	8.3
167.03453	1.9
167.10756	11.4
177.09201	50.7
178.09605	3.1
191.10805	7.6
193.12329	100.0
194.12646	5.5
211.13406	18.9
217.12323	4.8
235.13383	17.7
237.84940	1.7
253.14612	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	297.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	29.9
59.01379	28.5
70.84187	3.4
73.02952	4.6
85.02943	6.1
87.95905	1.5
99.04507	2.3
109.06566	12.0
111.04528	9.0
113.06055	1.7
123.08136	2.3
135.04526	2.6
135.08159	22.3
136.08417	1.9
137.09737	12.3
139.44298	1.6
149.09688	3.6
150.56323	1.5
153.09216	3.1
159.19527	1.5
163.11255	11.0
167.10710	8.0
167.91135	1.4
177.09180	41.8
178.09526	3.2
191.10716	8.9
193.12328	100.0
194.12714	4.6
211.13385	16.1
217.12248	5.4
235.13377	18.9
253.14275	1.6
259.22629	1.9
297.13193	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	297.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41037	0.7
59.01381	100.0
61.98820	1.2
66.01664	0.7
67.81437	0.9
69.88020	4.2
70.52737	0.8
71.01382	24.9
73.02954	3.9
78.99273	0.8
83.01397	1.8
83.12679	0.9
85.02949	7.6
87.00858	1.1
88.64919	0.7
89.02450	26.7
92.80167	0.8
95.01378	1.8
99.00894	0.9
101.02447	18.5
113.02452	9.7
119.03518	12.4
135.06656	7.3
137.55334	0.8
143.03484	1.7
149.04553	1.0
152.29356	0.9
159.02971	1.0
161.04561	10.7
162.07816	0.9
170.88396	0.7
179.05614	8.3
184.17110	0.9
237.09785	17.3
279.09314	0.8
297.08826	1.3
297.11917	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	297.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.0
55.76327	1.0
57.03459	2.4
58.00601	2.0
58.45180	1.1
59.01384	100.0
60.63979	1.4
61.98832	2.3
69.03452	1.8
71.01386	40.8
71.53429	1.6
72.99314	4.3
73.02952	16.7
75.00875	3.1
78.95925	1.3
83.01370	1.7
85.02962	18.9
87.00871	2.9
89.02448	52.9
95.01383	2.5
96.28458	1.1
99.00881	2.4
101.02448	25.9
102.74584	1.1
105.01970	2.7
113.02456	16.3
117.01929	2.8
119.03516	18.8
121.06534	1.2
123.04537	1.5
131.03516	1.4
135.03052	3.0
135.04543	2.6
135.06641	14.7
138.05595	1.2
143.03508	4.5
146.31709	1.3
147.02991	2.4
159.03056	1.3
161.04559	12.9
165.01942	1.2
167.03552	1.2
179.05602	15.9
193.01241	1.4
197.39343	1.1
224.63173	1.2
237.09821	8.6
261.13412	6.9
297.08362	4.9
297.11841	30.3
298.12326	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1192
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01872	3.0
55.76327	1.0
57.03459	2.4
58.00601	2.0
58.45180	1.1
59.01384	100.0
60.63979	1.4
61.98832	2.3
69.03452	1.8
71.01386	40.8
71.53429	1.6
72.99314	4.3
73.02952	16.7
75.00875	3.1
78.95925	1.3
83.01370	1.7
85.02962	18.9
87.00871	2.9
89.02448	52.9
95.01383	2.5
96.28458	1.1
99.00881	2.4
101.02448	25.9
102.74584	1.1
105.01970	2.7
113.02456	16.3
117.01929	2.8
119.03516	18.8
121.06534	1.2
123.04537	1.5
131.03516	1.4
135.03052	3.0
135.04543	2.6
135.06641	14.7
138.05595	1.2
143.03508	4.5
146.31709	1.3
147.02991	2.4
159.03056	1.3
161.04559	12.9
165.01942	1.2
167.03552	1.2
179.05602	15.9
193.01241	1.4
197.39343	1.1
224.63173	1.2
237.09821	8.6
261.13412	6.9
297.08362	4.9
297.11841	30.3
298.12326	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2642
Annotation	Phytomonic Acid
Peak:m/z	Relative Intensity
61.98820	2.1
66.53748	0.7
70.37432	0.9
70.37769	1.8
73.54611	0.8
95.19912	0.8
96.96004	0.9
98.19933	1.0
98.95592	4.2
98.96416	0.8
100.57825	0.8
112.99080	0.7
116.10754	0.7
122.89084	0.8
157.96992	0.8
186.93304	0.8
229.31039	0.8
270.11450	0.8
295.17493	4.4
295.26404	100.0
296.26758	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	297.0405
Annotation	Kanzakiflavone 2
Peak:m/z	Relative Intensity
57.03446	0.5
59.01379	4.9
61.98826	1.1
65.00018	0.6
65.00311	2.8
65.46453	0.5
67.01864	0.5
68.99820	1.0
69.96786	2.0
71.01346	0.6
89.00333	1.5
91.01904	0.6
92.99829	0.5
103.01866	0.5
107.01402	1.2
111.00844	0.7
117.03460	14.5
118.03833	0.6
121.02956	0.9
131.01381	2.4
133.02940	0.5
135.00923	2.3
149.02440	4.4
151.00333	0.8
158.93887	0.6
159.04460	0.8
175.00352	6.2
176.98305	2.8
177.00502	0.7
177.01913	7.9
178.99855	21.2
180.00110	0.6
181.06490	0.7
182.20287	0.5
183.04445	1.4
183.06593	0.5
185.02397	1.4
199.00278	0.5
201.05594	0.7
225.05589	1.7
227.03467	2.0
230.40724	0.4
237.09848	0.9
251.03467	1.4
253.01328	0.6
267.02859	0.5
269.04559	5.7
295.02466	13.4
296.02777	1.1
297.04025	100.0
297.24350	2.3
298.04367	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	295.2278
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
53.21395	0.5
54.29499	0.6
57.03435	0.6
59.01381	8.5
61.98822	1.5
63.08769	0.5
70.59485	1.3
70.59843	0.7
71.01370	1.0
73.02913	0.6
78.95885	0.8
83.15885	0.5
92.24883	0.5
95.01387	0.6
96.44434	0.5
96.96014	1.5
98.20694	0.6
98.95602	2.9
98.96375	1.0
127.11227	0.8
141.12868	8.0
155.14447	3.4
214.08511	0.6
231.21237	0.7
247.20316	0.7
249.22176	7.9
277.21655	0.8
293.21545	0.6
295.17487	3.0
295.22778	100.0
296.23138	8.5
296.61127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59613	0.5
57.03447	1.0
59.01112	0.8
59.01380	10.9
61.98835	0.6
63.23673	0.5
70.04288	2.6
71.01375	1.2
73.02942	0.6
92.97500	0.5
101.02511	0.6
113.09709	2.3
119.17638	0.6
129.09137	0.6
144.94403	0.5
171.10229	1.3
177.12918	0.8
179.14372	1.3
183.13908	2.8
195.13889	22.7
196.14226	0.9
215.32967	0.6
235.08073	0.7
277.21695	20.6
278.22067	1.9
293.21262	0.6
295.22757	100.0
296.23148	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	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03428	1.1
59.01374	2.6
69.85368	2.0
71.01328	0.4
78.95885	0.7
81.64048	0.4
97.06670	0.4
99.08122	0.4
113.09715	2.8
142.73537	0.4
177.12903	0.5
179.14435	1.5
181.12355	0.5
195.13898	19.5
196.14301	0.9
201.46832	0.5
250.96346	0.4
277.21722	18.0
278.22073	1.4
293.58282	0.4
295.22772	100.0
296.23099	9.2
315.95526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
56.52322	0.6
57.03451	1.0
59.01375	2.6
70.20840	2.5
74.84036	0.6
97.06623	0.7
98.20014	1.0
125.09720	1.5
141.12825	0.7
162.39339	0.6
171.10260	26.0
172.10616	0.7
183.10301	1.6
185.33260	0.7
195.13876	2.5
195.20786	0.5
214.12152	0.6
258.12665	0.6
277.21716	40.4
278.21991	3.5
295.22775	100.0
296.23114	7.4
297.56335	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27871	1.0
56.92500	0.8
57.03437	1.1
59.01373	6.7
69.47041	3.6
69.47469	3.8
78.95911	1.8
118.67503	0.9
125.09695	2.0
146.25865	0.8
155.14410	1.8
171.10271	43.2
172.10603	2.4
183.10226	2.7
195.13846	1.7
196.65114	0.9
217.98166	1.1
277.21698	52.5
278.22040	4.7
295.22784	100.0
296.23035	11.0
296.25806	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
50.45916	0.7
52.45509	0.7
53.12647	0.9
59.01376	9.7
59.50395	1.0
69.03422	1.1
69.21344	8.0
70.85020	0.8
73.90070	0.8
83.05029	1.2
90.80173	0.8
94.89926	0.7
97.06535	0.9
102.92478	0.8
111.08170	2.2
113.09734	3.6
118.66882	0.7
129.58746	0.9
139.07645	0.8
157.08687	67.7
158.09059	2.0
195.13860	1.4
225.14960	2.1
277.18494	1.1
277.21701	57.2
278.22064	5.5
295.22760	100.0
296.23090	9.7
300.58624	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79379	0.4
59.01379	100.0
60.01723	1.2
64.43764	0.4
69.64198	2.8
71.01404	0.8
85.02969	1.1
85.12212	0.5
98.20602	0.8
101.02481	1.5
101.50657	0.4
113.02467	0.9
139.52736	0.4
142.89601	0.4
148.20160	0.4
161.04610	1.0
235.11844	4.0
260.62964	0.4
295.12000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16125	0.4
55.30392	0.5
57.03449	0.5
59.01379	100.0
60.01715	1.5
60.17177	0.4
62.47696	0.4
70.91351	1.2
71.01384	1.8
73.02948	1.0
85.02962	1.3
91.01946	0.6
99.00889	0.5
101.02467	1.5
102.05606	5.0
108.02177	4.7
111.00903	0.5
121.02974	3.1
123.04520	5.4
128.03539	8.7
146.04599	8.6
161.04596	1.0
161.61537	0.5
164.03583	1.9
167.03502	6.6
202.96385	0.5
206.77553	0.5
229.71852	0.4
235.11861	4.1
252.08881	0.8
278.06689	0.8
296.07709	10.4
296.10645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16949	0.5
59.01379	28.9
59.41897	0.5
60.01758	0.6
61.98825	1.0
70.87390	1.5
71.01380	0.7
73.55180	0.6
96.95996	1.4
99.92564	2.6
133.01366	0.6
135.04536	0.6
142.65501	0.5
149.04568	0.5
163.03929	1.1
179.72713	0.6
183.13882	14.8
184.14223	1.0
185.28757	0.7
192.27171	0.7
195.13875	14.3
196.14185	1.0
213.14948	100.0
214.15317	5.7
223.13217	0.8
235.13110	2.3
237.11093	1.1
265.12854	0.8
267.12042	1.7
271.90268	0.6
279.12009	2.8
295.06219	0.7
295.15338	12.2
295.22531	0.6
296.07159	1.1
296.15628	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00573	0.5
59.01378	100.0
60.01710	1.3
62.03110	0.5
66.09445	0.5
69.36914	0.5
69.72905	1.8
69.73305	1.3
71.01392	1.1
73.02965	0.5
81.68260	0.5
83.01370	0.6
85.02958	1.2
97.31673	0.5
101.02461	1.8
113.02491	0.6
117.10599	0.5
123.04591	0.8
128.03601	0.6
146.04568	0.8
161.04604	1.1
167.03569	0.6
235.11870	3.6
296.07809	1.1
312.43988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38163	0.7
57.03437	1.9
57.97234	0.8
58.00589	2.0
58.85777	0.8
59.01379	81.8
59.23890	0.8
61.98843	1.2
69.55704	5.4
71.01385	40.8
72.99305	3.0
73.02952	2.4
83.01398	2.4
85.02951	9.4
87.00872	2.2
89.02447	46.1
89.33654	0.7
90.02795	1.0
95.01380	2.7
98.20628	1.6
99.00861	1.3
101.02446	24.4
102.02835	1.0
102.05598	1.2
103.04018	1.1
108.02174	1.7
109.02990	1.1
113.02453	16.4
115.00381	1.3
119.03501	18.5
120.99663	2.5
123.04514	2.7
128.03540	4.1
131.03502	1.2
133.05060	2.1
143.03494	0.9
146.04620	2.0
149.04576	1.2
161.04543	3.0
164.05759	1.8
167.03482	1.9
179.05617	2.2
180.06627	1.3
192.06560	0.7
207.03322	0.9
210.44110	0.7
235.08124	0.9
259.11865	2.1
277.08157	1.7
295.10345	100.0
296.07697	2.8
296.10712	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26413	0.4
57.03431	0.5
59.01380	6.6
59.60056	0.4
68.98132	0.4
69.83194	1.5
71.01378	1.8
81.72038	0.4
84.84994	0.4
89.02448	1.3
93.03466	2.5
98.19935	0.4
119.05023	53.7
120.05327	2.3
121.02961	2.0
131.03487	0.5
135.04547	0.7
149.04523	0.8
155.03552	0.5
155.25920	0.4
163.04002	100.0
164.04329	5.3
173.04549	6.6
199.00536	0.4
295.11728	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.0
59.16611	0.3
61.29912	0.3
64.34997	0.4
71.01404	1.0
71.11240	0.9
83.01424	0.5
85.02971	0.4
87.00836	0.4
89.02443	2.7
93.03470	1.0
95.76954	0.3
111.00898	1.1
119.05038	58.3
120.05348	2.4
121.02965	0.8
126.10406	0.4
131.03474	0.8
135.04521	0.7
149.03374	0.5
149.04559	9.3
159.48734	0.4
163.04022	100.0
164.04373	4.7
167.50197	0.4
174.72394	0.5
220.05078	0.5
295.08060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94493	0.3
55.01868	1.6
57.03441	2.0
57.10667	0.3
58.00594	3.3
59.01381	95.3
60.01720	0.9
61.98841	0.5
69.03484	0.4
69.36381	2.6
71.01384	51.2
71.05016	0.8
72.01723	0.7
72.99307	4.0
73.02946	4.5
74.99127	0.3
75.00870	3.2
83.01390	3.6
85.02950	14.3
87.00883	3.5
87.04517	0.6
88.04034	0.3
89.02445	57.6
90.02780	1.0
93.03451	0.5
94.02992	0.9
95.01398	3.6
97.02966	1.6
98.20640	0.4
99.00866	1.9
101.02443	31.1
102.02752	0.5
103.00368	0.7
111.04520	0.5
113.02451	19.7
114.02779	0.6
115.00371	1.6
115.04003	6.9
118.54552	0.3
119.03510	21.7
120.99658	10.7
121.02962	0.5
125.02454	0.5
128.03511	1.0
129.01967	0.6
131.03522	3.2
132.76170	0.3
133.05075	4.1
137.02490	0.4
141.58479	0.3
143.03500	2.5
145.03320	0.4
145.05086	0.8
149.04575	1.5
152.07185	0.4
155.03572	0.3
159.03003	0.7
161.04562	6.9
166.05142	0.8
173.04480	0.8
175.06279	0.4
179.05612	5.7
198.03758	0.3
201.60719	0.3
207.03293	3.5
221.06679	3.3
227.67523	0.3
233.08986	0.3
235.06006	0.4
235.08221	3.1
237.00731	0.3
237.06216	1.6
253.09322	0.6
274.86154	0.3
295.04877	2.7
295.10327	100.0
296.05225	0.4
296.07663	0.4
296.10706	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	294.1196
Annotation	2-O-beta-D-glucopyranosyl 1,4-Dideoxy-1,4-imino-D-arabinitol
Peak:m/z	Relative Intensity
59.01378	29.8
67.62352	1.0
68.99568	1.9
71.01379	21.5
71.53677	1.1
72.99339	1.1
76.17556	1.0
85.02956	1.6
87.00877	2.2
89.02443	32.9
90.02744	1.0
95.01414	1.1
101.02435	6.7
102.74269	1.2
112.98573	1.2
113.02435	6.0
114.05608	100.0
115.05945	3.2
119.03478	6.8
131.03493	2.0
143.03482	1.3
149.04556	2.0
150.19347	1.3
161.04523	3.3
179.05627	8.4
295.10367	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	294.2073
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
51.06971	0.9
57.03440	2.6
57.88687	0.9
59.01380	9.2
61.98830	8.2
65.02088	0.9
68.05042	4.2
69.49990	7.9
71.18510	1.3
84.04498	1.4
88.88917	1.0
94.02976	5.8
98.20628	2.1
103.08526	1.0
110.06095	2.0
112.41232	1.1
122.06116	1.9
138.09230	2.2
140.57297	1.0
153.12848	5.6
155.14438	2.1
169.15958	4.4
181.15961	7.2
195.17540	22.0
204.17534	3.8
221.14951	1.7
222.18616	100.0
223.18942	7.0
250.21739	98.3
251.22116	7.2
276.20432	2.2
294.20752	99.7
295.13669	4.5
295.21057	9.3
315.21674	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38945	0.7
59.01384	4.9
63.73547	0.6
69.28085	1.4
69.28487	4.4
71.01394	4.0
73.02950	4.5
74.23170	0.7
79.27645	0.6
85.02901	0.9
87.00878	1.6
89.02450	24.0
93.03424	1.1
103.04005	1.7
111.00891	1.5
119.05028	69.7
120.05362	2.7
121.02914	0.6
131.03526	6.1
145.03004	1.2
149.04556	100.0
150.04907	2.3
163.04012	79.6
164.04350	4.5
295.08371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2488
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
54.96134	0.2
59.01368	0.6
61.98830	0.8
69.87602	1.1
71.01408	0.4
73.05954	0.3
75.99567	0.3
96.96014	12.2
98.19907	0.6
133.03830	0.3
144.51247	0.3
192.11539	0.4
193.16020	0.3
220.14734	1.1
221.15428	2.6
236.10533	1.6
249.41042	0.3
293.17996	11.6
293.24847	100.0
294.18210	1.0
294.21954	0.7
294.25177	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	293.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21444	0.2
56.69312	0.2
59.01372	0.5
61.98804	0.9
67.09322	0.2
68.99557	0.7
70.09383	0.5
70.09771	0.6
82.82572	0.2
96.96009	12.3
103.76287	0.3
112.98559	0.9
126.71557	0.3
136.08945	0.4
155.63039	0.3
162.08015	0.2
192.11540	0.4
193.15981	0.6
220.14642	1.0
221.15439	2.4
236.10591	1.6
249.18568	0.4
275.23798	0.4
293.18002	11.1
293.24857	100.0
294.18204	0.8
294.25195	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	293.2122
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
59.01371	0.8
60.64280	0.3
61.98820	0.9
66.14040	0.3
70.39147	0.8
78.95903	5.1
81.03461	0.6
91.34255	0.3
96.96015	0.7
96.96959	1.0
171.10257	0.4
181.16034	0.7
191.14536	0.5
192.11525	0.4
193.16034	0.4
210.65929	0.4
220.14673	1.1
221.15489	3.0
223.13307	0.5
225.14870	1.1
236.10503	1.3
249.22269	0.6
275.20099	1.0
293.21210	100.0
294.14804	0.4
294.21545	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	293.2124
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
57.03424	0.4
59.01375	0.7
61.98830	2.3
62.56750	0.4
69.03446	0.5
70.70651	1.3
71.01386	1.1
72.47213	0.4
72.99322	0.9
78.95908	2.6
83.05013	0.5
92.17245	0.4
96.96011	1.6
100.88133	0.3
109.06512	0.4
113.09691	0.9
121.03073	0.5
123.56831	0.4
125.09685	0.6
136.08897	0.9
139.11288	3.1
153.12836	2.4
165.57843	0.5
176.74518	0.4
177.09270	0.5
177.68788	0.4
191.18044	3.4
192.11653	0.9
193.15938	1.7
211.17070	0.6
220.14644	3.6
221.15483	6.9
222.15648	0.5
224.14178	0.8
229.19563	0.6
236.10510	4.4
245.19221	0.5
247.20717	2.7
249.18646	0.5
275.20087	0.8
283.28278	0.4
293.21225	100.0
294.21558	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	293.2124
Annotation	Pseudopyronine B
Peak:m/z	Relative Intensity
50.15398	0.4
55.01883	0.8
59.01389	0.6
61.98841	2.1
67.01873	0.4
71.01380	0.7
71.08905	0.8
78.95895	1.1
79.95737	1.0
81.03458	1.1
85.04150	0.4
93.03441	1.0
95.05042	0.5
96.96014	48.6
99.05115	0.5
107.05013	1.2
121.72002	0.4
136.08922	0.7
192.11620	0.8
193.15932	2.5
195.17545	1.9
205.12357	0.7
209.02917	0.5
215.79649	0.5
220.14598	3.0
221.15475	6.9
222.15778	0.7
236.10535	5.6
247.20671	1.0
249.22223	100.0
250.22583	8.7
293.17896	42.9
293.21240	44.4
294.18219	3.4
294.21582	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
59.01367	1.7
61.98830	1.3
62.58611	0.7
62.79152	0.7
63.86743	0.7
68.70697	0.8
70.54331	1.5
70.54688	1.7
71.05013	1.9
75.66174	0.6
96.95977	1.0
111.08165	1.4
113.09711	1.7
157.79285	0.7
158.65985	0.6
169.48817	0.7
179.14423	1.6
195.13797	0.8
205.15982	2.1
210.49020	0.8
216.38847	0.7
220.14665	1.7
221.15443	4.7
223.17029	2.3
231.21194	1.5
235.17033	14.4
236.10561	2.4
236.17311	1.3
275.20160	16.9
276.20462	1.2
293.08835	4.8
293.21216	100.0
294.21564	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53978	0.4
55.83127	0.4
57.03449	5.0
58.83256	0.4
59.01369	1.7
67.29419	0.4
68.99606	0.5
69.34456	1.8
69.34886	2.2
74.91063	0.5
85.06548	0.7
97.06597	0.7
98.20724	0.8
113.09727	13.6
114.09974	0.7
121.10223	3.1
125.09705	1.0
125.27133	0.4
139.11301	1.2
141.36444	0.5
149.09656	0.8
163.07347	0.5
167.10764	1.5
171.10251	8.7
177.12694	0.6
179.10750	1.6
185.11836	2.8
195.13907	2.8
197.11990	0.6
220.75253	0.5
221.15414	0.8
236.10481	1.1
249.22185	1.6
272.11935	0.6
275.20132	9.3
276.20557	0.8
293.21219	100.0
294.21548	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.4
59.01381	4.3
61.98829	1.0
68.40275	0.4
70.55112	1.1
77.87231	0.4
78.64482	0.4
78.95911	2.0
96.96009	0.7
97.06593	1.0
112.65987	0.4
113.09773	0.5
121.10274	0.5
123.08119	0.8
125.09710	4.2
136.08968	0.5
141.12856	1.3
149.09721	1.7
171.10280	0.5
183.13870	1.4
185.11826	10.2
192.11519	0.6
193.15968	0.7
195.13837	1.0
197.11833	2.4
211.13358	0.5
220.14618	2.2
221.15465	4.6
223.13312	0.9
236.10522	2.4
249.22234	1.2
272.61111	0.4
275.20245	1.8
293.21222	100.0
294.21552	9.9
294.24707	0.8
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
50.97324	0.8
53.10130	0.8
74.86506	0.7
98.53066	0.9
167.10886	0.8
177.33072	0.8
195.13878	11.3
196.14539	1.2
205.12411	1.1
211.13464	1.1
223.13365	10.3
224.13971	1.1
228.13620	1.4
229.11961	0.9
255.94977	0.8
256.13123	5.3
261.79733	0.9
265.21780	0.9
275.20203	7.7
293.21213	100.0
294.21555	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.8
59.01379	7.6
61.98819	3.2
68.99587	0.5
69.03463	0.5
70.42789	0.4
70.84396	0.4
71.01376	1.6
71.43502	1.0
83.05010	0.5
95.04993	0.5
97.06609	0.7
97.53684	0.5
112.98570	1.2
113.09729	16.1
117.03454	0.5
121.10241	1.1
123.08175	0.6
125.09690	1.7
139.11284	1.1
149.09709	1.2
167.10799	1.7
171.10223	1.3
174.29393	0.5
177.09184	1.0
177.12817	1.2
179.10779	1.1
185.11864	3.1
192.11496	1.0
195.13905	2.6
197.11833	1.3
205.01306	0.4
205.12357	1.0
218.09387	0.6
220.14706	5.8
221.15456	13.1
222.15782	1.4
233.10318	1.4
236.08264	0.8
236.10516	9.9
237.10933	0.8
243.58339	0.5
249.22243	1.9
251.12852	0.9
275.20096	2.5
293.04559	2.1
293.21210	100.0
294.18240	0.8
294.21536	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01373	6.3
59.38457	0.9
59.67466	0.8
61.98821	4.3
67.04533	1.0
69.03419	1.1
69.58836	1.9
69.59255	3.8
71.01364	2.4
79.79321	0.8
92.77950	1.0
96.95998	1.3
101.10842	1.0
112.98556	1.9
117.03488	1.1
123.08144	1.5
136.08963	2.1
139.11285	1.3
144.31242	0.7
151.11267	2.4
152.80540	1.1
153.12874	1.7
169.12250	1.9
169.15958	1.1
181.15945	1.0
192.11537	1.7
193.15987	5.5
195.17517	2.7
197.11819	27.0
205.01382	1.4
205.12289	1.7
220.14636	7.2
221.15451	15.5
222.18602	14.7
231.21138	1.5
236.10556	10.9
249.18520	2.1
250.21756	10.9
254.73978	1.0
275.20126	20.7
276.20383	1.5
280.18298	0.8
293.04459	3.3
293.17682	7.0
293.21185	100.0
294.21042	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	293.212
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
56.83652	1.1
59.01370	1.8
71.53596	1.5
76.06971	0.9
80.82228	1.0
118.61774	0.9
121.10229	37.8
122.10588	1.2
125.09746	1.4
129.75200	1.1
161.79820	1.0
171.10274	73.0
172.10567	2.7
177.16615	1.0
185.11751	2.7
231.21179	3.7
275.20148	100.0
276.20471	8.0
276.77695	1.1
293.21222	58.8
294.21600	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	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
58.00588	1.3
59.01377	35.5
60.01700	0.9
63.79210	0.5
68.55979	0.5
69.55128	2.8
69.78114	0.5
71.01378	17.9
71.88627	0.6
72.01730	0.5
72.99303	1.2
73.02940	1.3
74.48993	0.5
75.91702	0.5
83.01395	1.5
85.02941	4.4
85.06586	12.7
87.00859	1.6
89.02441	20.6
95.01379	1.7
96.21933	0.5
101.02434	12.5
113.02445	7.2
113.06088	3.0
115.07638	2.6
119.03491	7.2
124.43629	0.5
127.07641	2.2
131.03574	1.0
131.07137	56.2
132.07465	1.8
173.08194	1.7
179.05612	1.5
293.12405	100.0
294.12799	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	293.176
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
59.72630	0.3
61.98820	0.4
66.91582	0.2
70.59225	0.9
71.01391	6.8
71.67251	0.3
77.94312	0.3
78.95891	0.3
103.73983	0.3
112.24121	0.3
116.86655	0.3
127.07613	0.6
148.05263	1.3
151.07610	0.4
164.08415	1.2
177.09193	4.4
190.09987	0.4
192.11565	6.6
193.12061	0.5
205.12323	7.2
206.12776	0.3
207.13902	1.0
217.08736	0.5
218.09474	1.8
220.14685	46.6
221.15457	100.0
222.15785	6.0
234.92387	0.3
235.13348	1.1
236.10536	70.1
237.10861	5.0
238.06139	0.3
250.12267	0.3
268.92154	0.3
293.17618	11.4
294.17841	0.4
307.70209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.2285
Annotation	Lanyuamide I
Peak:m/z	Relative Intensity
53.71177	1.0
56.61804	1.1
57.03468	1.3
59.01373	3.7
61.98821	4.5
62.34473	1.3
63.31414	1.3
67.05528	1.5
69.03437	2.3
70.02990	1.8
71.11171	1.7
71.11505	2.2
74.49535	1.1
75.57007	1.2
78.95898	4.5
81.03458	1.9
82.02982	6.0
94.06599	1.5
95.05035	2.4
96.08194	4.3
98.02500	3.1
108.04568	4.5
114.05611	3.5
122.03261	1.8
122.06097	1.2
123.04514	6.2
124.07676	11.5
136.83203	1.2
152.89558	1.2
177.09143	2.1
177.16495	6.9
189.16502	3.7
192.11479	1.6
193.16011	2.0
198.89284	1.4
220.14651	3.8
220.16980	3.8
221.15504	10.5
234.18637	15.7
236.10574	6.8
267.70273	1.3
276.19708	3.8
292.20172	3.8
292.22852	100.0
293.17661	2.7
293.21243	9.8
293.23660	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	293.0878
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01873	1.7
57.03424	1.5
58.00590	4.0
58.21850	1.1
59.01378	86.3
63.73758	0.9
64.92760	0.9
65.97947	1.0
68.18784	0.9
69.03452	8.0
70.07441	1.0
70.33942	0.9
70.37128	0.9
71.01379	84.1
72.99295	2.6
73.02948	12.4
74.04139	1.0
75.00874	2.8
81.03452	6.6
83.01373	7.2
83.69469	1.0
83.72708	1.2
85.02940	9.5
87.00871	1.5
87.98361	1.0
89.02441	100.0
95.01379	3.1
96.14932	0.9
97.02944	12.9
97.06568	1.9
99.00867	13.2
99.04507	3.0
101.02440	11.2
108.10509	1.0
111.00887	1.9
113.02451	6.5
115.03992	6.8
117.01878	1.1
119.03515	1.0
122.72112	1.1
125.02443	35.1
127.04022	1.4
131.03506	5.9
133.02939	2.1
134.03738	39.4
135.04544	13.2
143.03470	2.9
149.04558	6.0
158.16341	1.1
161.04416	1.2
177.01888	2.3
178.02707	9.3
179.03421	3.2
191.05684	1.7
205.12434	1.0
229.32231	1.6
231.10271	1.6
233.06630	18.8
234.07057	1.3
275.09216	3.0
283.08304	1.1
293.10587	13.4
296.14261	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.192
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
50.50108	0.4
58.02971	1.1
59.01391	3.0
61.98832	1.6
65.11693	0.4
71.01376	0.5
71.22736	0.7
78.95891	0.8
81.82847	0.4
99.92591	0.5
109.50001	0.4
112.98600	0.6
115.92139	0.6
121.02946	0.5
123.81126	0.4
139.11252	0.4
156.13940	100.0
157.14267	4.1
159.08167	0.4
162.14044	0.4
175.03964	0.6
177.09166	1.0
181.90526	0.4
185.11845	0.5
192.11578	0.6
200.12898	4.5
205.12320	0.6
220.14737	2.5
221.15494	6.2
236.10516	5.0
292.15530	1.0
292.19965	1.5
293.17697	1.6
293.21216	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	292.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.8
58.02965	2.6
59.01376	2.1
61.98831	2.2
67.01881	2.5
69.03443	2.0
69.76048	4.3
71.01383	2.1
71.05021	1.9
72.04551	18.5
73.02940	2.3
78.95895	1.3
82.06622	3.5
83.69620	0.8
84.04554	19.9
85.02952	23.8
87.04518	53.4
88.04858	1.1
89.92578	1.8
93.07111	1.8
96.04562	1.4
98.06122	100.0
99.06442	2.5
100.07680	1.6
107.08688	1.1
110.06133	1.2
112.98543	0.9
114.05595	1.5
118.08723	2.2
124.07677	1.9
135.08229	1.0
142.08720	3.7
144.06694	10.3
147.11801	51.4
148.12117	2.6
150.09244	1.9
152.07121	0.9
156.10278	1.6
158.08203	2.0
159.08095	0.9
160.09782	4.2
166.08704	1.1
168.10297	4.6
171.74538	0.7
173.09683	1.1
183.11435	0.9
186.11366	37.5
186.13036	1.9
187.11673	1.7
190.12343	2.0
204.13953	6.6
221.15533	0.9
256.17041	1.7
274.17957	1.2
292.15897	1.5
292.19174	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	292.1558
Annotation	NSC 66645
Peak:m/z	Relative Intensity
57.03448	21.8
59.01381	11.5
65.03960	4.7
71.05025	2.9
71.55005	2.8
72.04541	6.2
79.05534	7.3
83.05019	3.0
85.02956	100.0
91.05521	15.0
93.03446	5.4
98.06181	2.3
98.56084	2.4
99.04527	15.0
105.07122	3.2
107.05067	5.4
107.08665	7.2
109.02989	5.9
111.04533	10.2
112.07735	2.4
112.98595	2.6
114.05611	23.5
117.11539	2.3
119.05016	5.4
121.02930	2.9
121.06595	2.2
123.04546	6.4
130.08734	15.2
133.06601	7.0
135.04527	11.9
135.08188	8.2
137.06061	6.6
141.07098	3.7
143.05028	7.2
144.05801	4.0
149.06071	6.3
149.09726	5.6
156.10289	25.3
157.06612	6.5
158.08237	2.9
159.08159	82.7
160.08533	3.5
161.06097	21.2
177.09209	77.8
185.06218	2.6
194.11899	7.3
206.11890	8.0
216.10275	4.2
248.12845	4.9
248.16586	10.8
250.14424	3.3
262.14474	9.6
274.14536	7.4
292.15573	49.5
293.10547	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	292.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36726	0.5
51.39906	0.4
53.27922	0.4
55.87677	0.5
58.02962	0.7
59.01382	4.3
61.98824	1.3
69.97278	1.7
71.01379	0.5
89.43562	0.4
98.20748	0.5
117.03438	0.7
121.02981	0.6
156.13931	100.0
157.14308	4.3
177.09247	0.5
200.12910	5.1
205.12315	0.7
217.97008	0.5
220.14687	4.1
221.15479	6.7
233.10304	1.2
236.10526	6.5
292.19913	3.5
293.04596	0.9
293.17688	2.0
293.21170	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27946	1.1
59.01381	2.8
61.98837	10.7
66.89671	1.1
69.46087	7.0
94.13947	1.1
98.19902	2.2
99.92559	2.3
117.13229	1.2
126.17050	1.1
168.88779	1.1
209.01253	2.9
217.07225	1.5
291.09106	56.3
291.23300	100.0
292.09302	5.8
292.23633	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	292.1555
Annotation	Anastrozole
Peak:m/z	Relative Intensity
59.01382	0.4
61.98844	0.3
62.79463	0.2
68.02534	1.2
69.92284	0.4
69.92696	0.8
78.95900	0.2
85.02939	0.5
93.03465	1.0
118.75722	0.2
121.02957	9.5
122.03288	0.4
148.73740	0.2
151.02748	33.5
152.03085	1.3
155.83060	0.2
159.08160	1.0
164.03415	0.3
164.43178	0.2
172.03955	0.3
177.09221	0.5
177.71527	0.2
183.01724	19.1
184.02080	0.8
190.05075	4.0
191.05872	3.5
204.06651	0.2
220.14693	0.7
221.15431	1.6
236.10510	1.0
292.15536	100.0
293.15845	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	291.2331
Annotation	Grevillol
Peak:m/z	Relative Intensity
56.99928	0.6
59.01378	1.8
61.98828	4.6
68.18758	0.7
68.25285	0.6
69.71883	2.5
74.99069	1.7
83.62016	0.7
98.19839	0.6
110.28000	0.6
121.03012	0.7
149.00938	2.7
161.06364	0.7
192.62381	0.7
192.98145	0.8
206.99625	0.7
209.01175	3.9
217.07196	2.2
289.07510	2.8
291.09100	100.0
291.23294	94.3
292.09189	15.0
292.23624	9.4
309.10092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2329
Annotation	5alpha-Androstan-3beta,17beta-diol
Peak:m/z	Relative Intensity
57.03429	2.3
58.00589	8.1
59.01370	2.3
59.58962	0.7
61.98818	1.5
64.97665	0.8
65.10889	0.6
69.03437	1.1
70.23224	0.6
71.01386	3.9
71.38551	1.1
73.02946	40.3
73.64228	0.7
78.37901	0.7
78.84572	0.6
79.26690	0.7
83.05014	3.0
84.02168	7.3
85.02958	1.5
85.06596	0.9
87.04539	1.2
93.03435	0.7
95.05013	2.0
97.06579	4.8
106.65742	0.7
107.05009	1.9
109.06610	1.5
111.08146	3.7
113.06086	1.9
121.02983	0.8
123.08143	0.8
125.06094	5.5
125.09718	1.3
127.07642	1.7
127.11316	1.9
137.09755	0.9
139.07683	4.9
139.11238	0.8
147.08200	0.7
149.13379	0.9
150.55843	0.7
153.09206	1.1
153.12796	1.2
155.14403	1.6
163.03995	0.9
163.14890	0.8
167.10715	1.1
167.14346	1.5
169.15956	0.9
175.11304	0.7
181.15997	1.3
203.17975	0.7
205.19539	1.5
209.15283	0.9
212.50687	0.7
239.13783	0.7
255.21115	5.1
261.22156	5.9
263.23785	10.8
271.20630	1.2
273.22202	25.0
274.22568	2.2
289.21716	1.7
291.09082	7.9
291.19708	9.7
291.23248	100.0
292.09100	1.3
292.23630	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	291.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70254	0.6
54.09800	0.6
57.03420	2.9
58.00596	8.0
59.01362	2.5
61.98811	1.9
69.03439	1.5
70.54433	1.0
70.54770	1.4
71.01383	4.1
71.05017	0.7
73.02946	42.6
83.05025	2.5
84.02164	9.1
85.02943	2.3
85.06577	0.8
87.04485	1.2
93.03457	0.8
95.05002	2.4
97.06580	4.4
99.08144	1.1
101.06082	1.0
107.05046	1.5
109.06580	1.2
111.08130	3.0
113.06057	1.9
113.09633	0.9
115.92060	1.0
118.80413	0.7
119.05007	0.8
121.02950	1.7
121.10202	1.2
125.06100	5.8
125.09724	1.3
127.07634	1.8
127.11270	1.5
133.23495	0.7
139.07649	6.5
139.11314	1.2
141.09195	1.3
141.12848	1.1
149.09763	0.9
153.09236	1.1
153.12770	1.5
155.14366	1.6
165.12857	0.9
169.15964	0.9
205.19568	1.7
209.04662	0.6
221.15437	0.7
233.22787	0.9
247.20613	0.8
251.64008	0.6
255.21251	5.0
261.22214	5.4
263.23749	9.8
271.20749	1.0
273.22232	27.2
274.22537	1.8
279.68961	0.7
289.21518	0.8
291.01422	0.8
291.19662	15.1
291.23239	100.0
292.20303	0.9
292.23557	9.9
300.39871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.66693	0.5
59.01372	0.9
60.11000	0.4
61.98823	2.4
70.59996	0.8
70.60355	1.0
73.02943	51.7
74.03265	0.9
75.98291	0.5
85.02961	0.5
85.48674	0.5
115.92088	0.6
119.04958	0.8
133.77254	0.5
163.03969	0.6
185.23520	0.5
215.49484	0.4
262.72098	0.4
291.19644	100.0
292.19962	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66787	0.5
57.03433	2.1
69.66974	3.2
93.07077	1.2
97.06568	1.5
121.10233	14.3
123.08147	1.4
125.09720	6.6
126.10017	0.6
141.12868	0.9
147.08141	1.0
163.11314	0.7
170.09090	0.5
184.98491	0.6
185.11824	14.5
194.98863	0.6
197.11821	3.5
209.11795	1.2
211.13344	1.6
223.13394	1.1
247.20682	0.6
273.18481	1.6
291.19647	100.0
292.19971	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01827	0.6
57.03453	0.6
59.01370	3.1
61.98821	0.9
65.20075	0.5
69.50191	4.0
70.99110	0.5
71.05016	21.3
77.22029	0.6
83.05000	1.3
97.06567	5.1
111.08125	2.5
119.05022	0.8
121.10204	1.7
123.08125	1.1
155.78096	0.6
163.14989	0.6
174.34808	0.7
175.15001	0.8
181.12349	1.4
185.11804	2.1
195.13904	1.7
207.13882	2.4
219.13939	3.0
235.16988	2.8
247.20624	2.3
273.18524	1.9
291.19635	100.0
292.19962	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	291.1965
Annotation	12-OPDA
Peak:m/z	Relative Intensity
56.68424	0.3
59.01371	0.5
60.60203	0.3
62.78627	0.3
73.38717	0.3
80.17611	0.3
90.46021	0.4
95.05037	0.4
97.06585	0.4
98.45470	0.3
125.06078	0.6
148.08926	1.5
149.09682	0.3
150.10548	0.8
151.11192	0.5
154.62257	0.3
163.11272	1.4
165.12837	19.2
166.13234	0.5
175.11261	0.9
176.12004	0.9
177.12642	0.4
178.63457	0.3
191.14354	0.7
217.15904	0.8
229.19543	0.3
245.18877	0.4
247.20645	10.9
248.21042	0.8
273.18549	6.2
274.18991	0.5
291.19644	100.0
292.19986	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46517	0.2
57.03450	1.5
59.01373	2.0
59.12059	0.3
61.98831	0.4
64.80682	0.3
69.03465	0.3
69.46381	1.5
71.01385	0.3
83.05031	0.7
93.03432	0.3
93.07095	0.3
95.05007	1.1
97.06583	0.6
98.69657	0.2
99.92590	0.4
109.06570	0.7
110.87771	0.3
111.08153	10.3
112.08459	0.4
113.09715	0.4
115.92055	0.3
119.05006	0.5
121.02919	0.5
121.10227	4.5
122.10600	0.3
123.08157	1.0
125.09721	2.4
132.15630	0.3
135.11774	0.4
137.09694	0.9
141.12843	0.3
145.02998	0.4
147.08163	0.3
149.09737	0.5
163.04077	0.6
165.12759	0.2
167.10738	1.9
177.12872	1.9
179.10712	1.4
185.11801	4.0
195.13893	6.3
197.11830	0.9
203.14404	0.5
209.11876	0.3
211.13341	0.6
223.13455	0.4
247.20628	2.2
263.20273	0.3
273.18628	2.1
291.19641	100.0
292.19983	10.1
313.34207	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03450	0.7
58.22960	0.3
59.01379	100.0
60.01707	1.3
69.75568	1.7
71.01385	4.8
72.99303	0.4
73.02944	3.3
83.01399	1.5
85.02953	4.2
89.02447	0.7
95.01367	0.4
98.19921	0.4
99.00926	0.6
101.02443	6.0
113.02440	1.8
124.89842	0.3
153.96815	0.3
159.03029	0.8
161.04582	2.2
167.03537	0.4
192.93684	0.3
249.13402	9.2
250.13867	0.5
291.08530	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
59.01376	9.3
61.98831	31.1
71.01388	5.1
71.54918	8.7
73.62922	4.9
78.20438	4.4
95.49029	5.3
97.06593	72.1
108.23966	4.8
108.28242	5.0
116.92779	4.5
121.02941	17.8
130.76122	5.3
145.02902	6.9
154.64035	5.0
183.13901	5.8
193.12335	26.8
209.04520	7.1
211.13371	66.1
286.10211	6.7
291.16498	4.5
291.19656	100.0
292.20169	8.3
312.76477	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	290.2126
Annotation	senecionan
Peak:m/z	Relative Intensity
57.03453	7.4
58.02969	2.0
67.01912	1.7
67.05530	9.2
67.19704	1.2
69.03448	3.3
69.39845	8.6
70.02973	5.1
72.04545	12.1
79.96310	1.7
80.64515	1.5
82.02987	5.9
84.04546	2.8
93.03499	2.3
94.02970	1.7
95.04992	1.7
96.08189	11.5
97.06602	1.6
98.02493	6.3
98.06129	9.0
98.19901	2.6
106.06655	1.8
108.04561	21.1
110.06115	6.9
112.07680	2.6
114.05614	30.7
121.10220	1.9
122.06150	2.1
124.07689	44.9
130.08731	5.7
142.08714	7.1
147.11784	2.7
150.10345	1.2
152.03564	3.0
156.10306	16.4
165.12840	12.6
165.82750	1.4
173.13196	1.7
175.14923	15.4
176.15269	1.8
182.11865	30.0
201.12810	1.3
204.17603	2.3
218.15504	3.1
232.17078	4.2
247.20660	8.2
273.18594	3.2
274.18195	6.4
290.21265	100.0
291.19543	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03450	0.7
58.22960	0.3
59.01379	100.0
60.01707	1.3
69.75568	1.7
71.01385	4.8
72.99303	0.4
73.02944	3.3
83.01399	1.5
85.02953	4.2
89.02447	0.7
95.01367	0.4
98.19921	0.4
99.00926	0.6
101.02443	6.0
113.02440	1.8
124.89842	0.3
153.96815	0.3
159.03029	0.8
161.04582	2.2
167.03537	0.4
192.93684	0.3
249.13402	9.2
250.13867	0.5
291.08530	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	10.4
58.02959	3.5
61.98825	3.3
67.05521	9.8
69.03104	1.1
69.03429	5.1
70.02985	5.2
71.17902	1.5
72.04547	14.7
80.05055	1.0
81.03453	1.8
82.02990	8.7
82.06635	2.9
84.04532	4.0
93.03460	3.2
94.02979	3.0
95.05035	1.6
96.04585	1.4
96.08202	12.4
97.06599	2.8
98.02483	8.5
98.06119	6.5
99.92578	1.3
108.04555	31.3
108.05265	1.9
110.06124	10.7
112.07686	3.5
114.05610	59.8
115.05932	1.3
121.02923	1.0
121.10208	2.3
122.06123	4.7
124.07685	63.6
126.05625	1.3
130.08743	10.5
140.07162	1.7
142.08745	6.3
145.03079	1.1
147.11758	1.9
150.05554	2.4
152.03531	4.6
156.10306	18.6
164.10750	2.0
166.08820	1.2
168.38899	1.3
173.13342	1.7
175.14905	20.9
182.11853	66.1
183.12199	3.1
203.14378	1.2
204.17601	2.3
205.15813	1.1
218.15469	1.9
232.17015	5.3
234.15071	1.6
272.20279	1.8
274.00470	1.0
274.18112	8.5
288.46509	1.1
290.21271	100.0
291.21838	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	290.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08733	1.3
59.01356	1.3
61.98832	100.0
75.75047	1.3
77.05592	1.4
93.12531	1.6
109.48984	1.4
203.36386	1.4
206.14590	1.6
213.79501	1.4
290.13892	2.9
294.81757	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	290.1399
Annotation	Phyllalbine
Peak:m/z	Relative Intensity
52.13264	0.4
58.84545	0.4
61.12613	0.4
61.98836	0.5
66.75575	0.3
69.61340	0.3
69.79005	1.9
93.03477	0.4
113.85681	0.4
121.02954	3.8
151.02756	13.7
152.03122	0.9
154.01379	0.4
164.03545	1.3
172.04037	0.9
174.06911	0.4
183.01718	8.3
188.07201	1.0
190.05078	5.1
191.05812	1.7
204.06627	2.5
205.07385	6.0
206.07759	0.4
206.46246	0.4
250.91460	0.3
272.12543	0.4
290.13980	100.0
291.14282	8.9
291.19543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74158	19.4
58.09467	21.3
58.56638	18.6
59.01366	18.2
61.06014	17.6
61.98814	55.8
69.76490	100.0
73.02924	19.6
95.73685	17.2
96.22729	16.5
113.10939	16.5
200.30772	18.3
223.00215	15.4
288.99832	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80932	0.6
59.01377	1.6
61.05906	0.5
68.07137	0.5
69.03468	0.6
70.02971	2.9
71.01382	1.4
71.53487	0.7
72.59010	0.5
72.99291	0.8
73.02971	1.0
74.02483	0.6
75.00893	0.5
78.95896	3.7
82.02991	1.6
83.01395	0.7
84.04560	1.4
85.02950	3.0
86.02504	1.9
87.00885	0.9
89.02452	0.6
92.05090	0.7
94.03000	2.1
95.01435	0.6
96.04569	1.1
96.96966	2.6
97.02950	1.3
99.00893	0.7
99.04521	0.7
101.02443	3.9
102.84274	0.5
108.04619	0.7
110.02463	0.8
110.06100	1.0
110.98530	1.6
111.00902	1.1
112.04072	0.8
113.02456	3.2
114.01975	1.5
114.05659	1.3
115.00456	0.6
120.01293	0.8
120.99686	1.2
125.02448	1.0
126.05621	1.4
128.03548	100.0
129.03873	2.6
131.03786	0.7
131.08322	0.8
132.04564	1.0
132.08618	1.3
136.04051	6.2
146.04729	0.6
154.05116	0.9
157.07710	6.8
161.02756	0.6
168.06699	2.7
169.01472	2.9
169.05063	1.1
170.04494	4.8
172.06229	1.2
174.10759	0.9
180.03087	1.0
200.05653	35.6
201.06076	0.8
212.05728	1.5
219.07771	2.8
228.08926	0.8
230.06677	3.0
247.07275	3.2
254.06876	1.5
254.09686	1.3
262.09384	0.7
272.07773	2.3
272.10831	1.0
290.08871	12.6
290.12149	1.2
291.06940	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1444
Annotation	Pycnanthuquinone C
Peak:m/z	Relative Intensity
53.11469	0.8
59.01376	2.4
61.98826	2.0
71.54384	1.1
73.82790	0.8
80.67064	0.8
82.81729	1.0
121.02953	100.0
122.03277	3.3
133.56589	0.8
139.11365	1.0
167.10768	1.2
289.07053	1.3
289.14462	27.4
289.17929	3.0
290.14804	1.6
300.69666	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.083
Annotation	Indole-3-acetyl-L-aspartic acid
Peak:m/z	Relative Intensity
51.69283	0.6
59.01378	20.3
69.48494	4.6
71.01387	12.2
73.02946	1.2
76.29591	0.7
83.79974	0.7
85.02958	2.1
88.04041	100.0
89.04384	0.9
95.05026	0.6
98.19898	1.5
100.70743	0.6
101.02418	1.0
102.05630	3.4
109.02976	2.5
113.02420	0.8
114.01971	2.9
115.00380	18.6
116.05056	0.7
121.02938	1.2
123.04537	2.2
125.02474	2.1
128.03551	2.6
130.06726	1.5
132.03029	59.3
133.03386	1.6
137.02499	1.0
146.04591	7.4
146.06116	6.3
151.04109	0.8
156.04555	7.4
157.08740	2.4
161.06070	0.8
165.01923	0.9
167.03592	0.9
173.07216	14.5
174.05588	15.2
175.05943	1.0
178.86208	0.8
203.07228	1.3
233.24257	0.7
245.09480	7.3
271.07224	1.3
289.08319	43.8
289.16748	1.5
290.08725	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	289.1194
Annotation	Limazepine B2
Peak:m/z	Relative Intensity
54.43387	0.4
59.01374	0.8
69.39042	2.1
69.39461	1.2
75.74490	0.4
77.46178	0.4
79.72398	0.4
80.05052	1.5
89.06066	0.4
92.05069	3.9
94.02993	0.6
94.06621	13.1
95.05032	0.4
103.04298	0.6
104.05054	3.3
105.03446	2.8
106.02978	0.9
106.06621	35.3
107.03769	1.3
107.06973	1.0
108.04559	3.7
110.06187	0.6
120.04551	12.1
121.05351	3.1
122.02454	1.1
122.06120	32.8
123.03259	5.4
123.06464	1.4
124.04042	0.5
124.07660	1.2
131.03746	1.5
132.04552	6.6
132.99025	0.5
135.03252	1.3
136.04041	1.3
138.05606	65.7
139.05936	1.7
140.07176	3.3
144.08151	0.7
148.04025	3.8
150.05598	20.5
151.05922	0.9
158.09776	1.1
159.06879	2.7
164.03523	0.9
166.05063	6.4
172.07768	0.7
173.08453	2.0
174.12892	3.0
184.11330	2.4
185.07233	0.5
187.09962	0.7
188.07208	2.2
189.07961	5.6
196.81596	0.5
197.07201	1.8
198.07956	1.2
199.08682	0.6
200.05936	1.2
200.09483	1.4
201.11243	0.6
202.08678	1.4
202.12360	6.5
203.09576	2.0
203.12589	0.5
204.09689	0.5
212.05933	0.4
212.09578	1.2
213.06650	3.6
213.10077	0.4
214.07384	0.6
215.11859	6.8
217.07417	13.4
218.07797	1.1
218.11839	1.0
225.10472	0.4
226.07420	1.5
227.08232	1.3
227.11836	2.1
228.09045	2.0
229.09801	2.1
231.08981	5.6
231.11362	2.7
238.07333	0.5
241.06171	1.0
241.09814	10.1
242.07019	0.6
242.10486	0.9
243.11348	10.7
244.11679	0.5
246.11333	8.1
253.09772	1.3
256.08545	1.1
259.10828	5.7
260.08060	0.5
271.10867	20.4
272.11243	1.3
289.11923	100.0
290.12253	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	289.083
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
58.02967	19.1
59.01357	5.5
62.12257	4.8
68.01233	3.9
70.02973	8.7
70.60155	4.9
71.54900	6.5
72.00901	9.3
74.02474	86.2
78.88957	3.8
98.02456	15.3
116.03526	19.9
116.05065	31.7
121.98407	3.8
142.06613	11.4
159.09328	6.8
203.08286	75.6
245.09311	100.0
246.09685	9.2
247.15544	6.0
307.81946	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	289.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.8
58.02974	18.8
59.01381	7.1
60.54173	1.8
69.98016	7.2
69.98369	3.7
70.02975	9.8
71.85471	2.1
72.00906	5.0
72.04570	2.9
74.02478	91.0
84.00919	1.9
85.02956	9.8
86.15308	1.9
98.02471	23.3
109.02920	3.4
109.04131	2.2
116.03557	28.6
116.05058	35.1
117.05355	2.1
121.02952	2.2
123.04522	3.0
125.02408	2.6
130.06676	4.2
135.04500	3.5
138.62834	2.2
142.06619	8.0
149.41885	2.0
156.66550	2.1
159.04588	2.2
159.09254	7.4
161.02397	4.3
171.10329	4.4
179.03537	3.0
201.10341	4.9
203.08286	82.8
204.08667	3.7
205.05057	2.6
206.05379	2.8
209.02928	3.7
245.09326	100.0
246.09543	6.3
289.07114	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	289.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.7
59.01376	5.2
69.03450	1.3
69.68306	3.1
69.68725	1.5
81.03458	5.6
83.01381	5.3
93.03434	2.3
95.01420	1.6
95.05016	6.3
97.02949	10.5
99.04501	0.9
106.44239	0.7
108.02148	1.8
109.02947	40.0
111.04490	0.7
118.98072	0.7
121.02962	4.7
122.03721	1.5
122.08762	0.7
123.04521	25.9
125.02446	25.6
135.04562	4.0
137.02440	14.0
138.03227	1.5
139.04024	4.6
143.24144	0.7
145.02957	2.4
146.03722	2.1
147.04468	0.9
149.02405	5.4
150.03175	1.6
151.04005	14.2
157.06532	0.9
159.04497	5.4
160.05249	1.1
161.02383	1.3
161.06084	8.2
162.03198	2.0
163.03935	2.3
164.01146	5.1
165.01910	5.3
166.39281	0.9
167.03487	3.4
173.05952	0.9
174.03285	0.8
175.03934	3.1
175.07602	2.3
179.03499	9.7
180.03909	0.9
187.03989	7.0
188.04767	6.4
202.06334	2.2
203.03778	0.6
203.07127	18.3
205.05031	10.6
213.52008	0.7
221.08211	6.1
227.07135	3.3
230.05829	1.1
245.08176	28.9
246.08493	1.7
247.06160	2.1
271.05930	1.2
289.07156	100.0
290.07498	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	289.0717
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03444	5.3
66.37188	0.9
69.03432	1.1
69.43555	6.5
81.03466	4.9
83.01377	4.7
93.03453	1.2
93.88106	0.9
94.33724	1.0
95.05020	5.2
97.02942	12.7
98.20641	1.0
99.04533	0.9
105.03468	1.1
108.02159	1.9
109.02947	44.8
121.02933	5.4
122.03699	3.0
123.04512	29.7
125.02444	23.4
135.04549	3.2
137.02438	15.6
138.03142	0.9
139.04015	5.7
145.02928	1.4
146.03722	1.5
147.04462	1.2
149.02454	7.3
150.03165	2.5
151.03993	13.6
152.38400	0.8
152.97107	0.8
159.04538	5.3
160.05295	2.5
161.02481	1.8
161.06105	8.3
162.03197	2.6
163.04022	1.3
164.01117	5.2
165.01933	4.3
166.02554	1.0
167.03491	3.4
173.06047	1.9
175.03979	2.6
175.07635	2.8
177.05490	1.5
179.03467	10.4
185.06061	2.2
187.04039	5.9
188.04810	6.1
195.70575	0.9
199.07629	1.5
201.05618	1.0
202.06290	2.9
203.05217	1.1
203.07126	17.8
205.05070	13.6
212.04842	1.1
221.08203	6.6
227.07083	2.9
230.05748	1.3
245.08159	30.3
246.08562	1.9
247.06032	1.3
271.06137	1.5
289.07162	100.0
290.07492	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	289.0718
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
52.04854	0.6
57.03456	4.5
63.69564	0.6
63.85642	0.5
69.03458	1.0
70.73363	0.7
71.78685	0.6
74.25393	0.6
80.02660	1.2
81.03459	6.1
81.89330	0.8
83.01377	4.3
93.03448	3.1
95.01406	1.2
95.05025	7.7
97.02956	10.7
99.04555	0.6
105.02616	0.6
108.02185	1.8
109.02957	42.6
110.03266	1.5
111.04537	0.8
117.03482	0.9
121.02950	4.6
122.03708	2.5
123.03622	1.5
123.04521	27.6
125.02452	25.9
133.03035	1.0
135.04530	2.9
137.02448	14.7
138.03227	1.2
139.04028	5.5
145.02974	1.3
146.03728	2.0
147.04552	0.7
149.02449	6.4
150.03131	1.8
151.04008	14.4
152.04384	1.1
156.07133	0.6
159.04482	4.2
160.05222	1.7
161.02437	1.5
161.06102	6.7
162.03221	2.1
163.03915	1.6
164.01163	4.9
165.01958	6.2
166.02647	1.1
167.03561	2.9
173.06137	1.5
174.03160	1.2
174.06848	1.0
175.03999	3.1
175.07634	3.2
177.05524	0.8
179.03491	8.6
185.06046	1.6
187.04028	6.1
188.04828	5.9
199.07674	0.9
201.05473	1.1
202.06377	3.5
203.07133	16.2
204.07411	1.2
205.05052	11.9
217.08696	1.2
221.08195	6.3
227.07166	3.3
229.00209	0.8
230.05780	1.2
231.02979	0.9
245.08177	28.4
246.08678	2.0
247.06082	2.4
271.06152	1.8
289.07178	100.0
290.07480	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	288.197
Annotation	Hydroxy-gamma-sanshool
Peak:m/z	Relative Intensity
57.03447	21.1
58.02974	4.9
59.01382	3.3
61.98813	3.2
67.05531	22.4
69.92854	2.5
69.93256	5.0
70.02976	4.2
71.08434	1.3
71.87640	1.4
72.04551	27.3
78.95893	3.2
82.02978	4.1
84.04552	5.1
93.07101	1.8
94.02997	2.7
95.31811	1.5
98.02480	4.0
98.06124	5.4
100.15626	1.7
107.08670	25.0
107.42469	1.6
108.04565	18.1
110.06140	5.4
112.07686	7.0
114.05611	100.0
115.05993	1.6
117.07133	2.2
122.06086	2.2
124.07677	18.9
130.08746	26.8
140.07172	3.7
142.08725	10.0
145.10265	5.0
152.03465	1.7
152.24890	1.5
156.10301	50.1
157.10577	1.9
171.11804	1.9
173.13347	60.4
174.13719	4.3
182.11861	97.5
183.12193	4.6
216.13799	2.3
230.15337	2.3
272.16675	9.1
288.19699	41.3
289.19971	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	288.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18389	1.1
57.03445	6.7
58.02967	1.4
59.01384	6.4
61.98817	5.0
65.03963	1.6
67.05505	1.0
70.44247	3.1
72.04549	5.6
78.95913	20.4
79.05484	1.1
89.24335	1.1
90.00052	1.0
93.07137	1.4
96.97005	1.3
99.92579	2.7
105.07070	1.4
107.08679	2.1
112.07674	1.9
114.05604	15.1
115.92058	1.5
116.92914	1.6
117.07181	1.4
117.92863	1.4
130.08740	9.4
145.10240	2.0
148.07626	1.4
156.10316	1.7
157.10213	1.1
173.13348	100.0
174.13626	4.8
189.19199	1.3
194.11853	4.7
197.90227	2.0
206.11833	4.5
230.15491	1.2
260.01901	1.1
288.16086	2.7
288.19693	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	288.0765
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
59.01379	7.9
63.16118	0.4
70.00404	0.8
70.00816	1.4
70.15591	0.4
74.02479	0.8
80.87718	0.4
88.04058	1.1
90.97139	1.0
98.20554	0.7
112.98669	0.6
114.05604	1.5
130.08733	100.0
131.09079	2.6
132.98207	0.8
141.98245	1.2
142.96591	1.4
146.23676	0.4
160.97658	1.8
174.99290	1.2
176.19960	0.5
184.97655	2.3
187.98811	0.8
197.30411	0.5
202.98732	2.1
208.93861	0.5
243.06131	0.4
244.05048	2.7
244.13109	1.0
246.06567	3.5
269.19519	0.5
269.67209	0.5
275.68893	0.4
288.07639	69.0
289.02405	0.8
289.08038	3.0
290.29538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1243
Annotation	Glycocitlone B
Peak:m/z	Relative Intensity
57.03455	0.5
59.01376	1.9
61.98824	1.1
67.05537	0.5
67.97685	0.4
69.20132	1.6
69.20556	1.7
73.67116	0.4
78.95895	1.9
82.02979	0.5
83.05028	28.6
84.05334	0.5
85.02940	0.6
93.03455	1.5
99.92593	0.6
107.08678	3.5
108.04558	0.9
110.06134	1.0
114.05606	7.2
116.92853	0.4
117.40528	0.4
121.02966	7.8
122.03746	3.7
123.08185	2.1
124.07675	1.1
130.08730	0.4
134.43993	0.4
135.03284	1.8
138.01961	0.4
151.02754	23.1
152.03542	10.6
154.01469	0.4
156.10323	0.4
159.04497	0.9
164.03516	3.1
167.02240	0.7
172.04024	2.6
173.13362	6.2
176.07243	0.5
182.11871	10.7
183.01733	17.0
184.02185	0.5
186.05618	1.3
188.03606	0.4
190.05118	2.5
191.05891	3.0
192.06665	4.6
204.06656	11.4
205.07384	3.3
216.06534	0.5
218.08069	0.4
228.06718	0.4
230.08249	1.1
242.11868	0.4
260.12906	1.4
270.11267	0.5
272.16611	0.5
273.04041	0.9
288.12415	100.0
289.12720	6.9
289.17953	0.6
308.23923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.223
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01368	5.1
61.98830	2.6
64.43508	1.2
71.54500	1.5
72.99312	44.1
75.00871	11.9
78.95890	3.0
83.99288	1.2
90.90343	1.1
94.59582	1.0
99.92574	2.2
113.79466	1.2
115.92087	1.4
116.92875	5.8
148.90892	1.4
149.02443	1.4
187.03990	1.9
196.03772	1.5
203.07172	13.3
211.20772	2.0
222.46527	1.4
241.21855	2.0
272.14102	2.7
287.16818	17.3
287.22272	100.0
288.17053	1.5
288.22632	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	287.2229
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
53.72561	0.3
58.00594	0.8
59.01375	1.9
61.98821	1.7
63.89423	0.3
69.48408	1.2
69.48836	1.6
78.95908	2.6
94.37881	0.4
99.92593	1.1
113.09732	4.0
116.92861	3.8
117.04885	0.4
117.76528	0.4
125.09708	1.1
127.11298	3.5
137.09732	0.4
139.05997	0.4
141.09265	0.4
143.10774	3.3
155.10770	1.5
157.12343	0.7
171.10324	2.7
197.90260	0.6
201.11368	0.9
211.20772	0.5
215.03465	0.4
218.63448	0.4
231.06567	0.4
235.22031	0.4
241.21629	0.5
251.20157	1.5
254.15417	0.4
267.19745	0.8
269.21204	9.8
270.21509	0.9
285.20715	5.1
287.01843	0.4
287.22275	100.0
288.22595	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	287.1501
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
51.89913	0.5
57.03449	1.4
59.01379	90.3
60.01712	1.3
60.55523	0.6
69.87223	1.2
69.87627	2.0
84.08162	0.6
85.02943	0.6
99.04520	2.0
145.73868	0.5
148.71646	0.6
165.12859	1.5
207.13863	2.6
209.11810	6.9
225.14984	7.0
227.12874	45.2
228.13231	2.5
251.12993	1.2
269.13925	12.9
270.14212	0.6
287.14987	100.0
288.15363	7.8
307.20755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2229
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01374	4.4
59.06571	1.0
61.98838	1.6
69.50570	5.6
78.95922	7.0
95.01360	1.3
95.25215	1.3
99.92614	2.0
105.50401	1.1
116.92860	1.6
135.22571	1.0
141.12813	1.7
182.00572	1.3
241.21675	1.4
269.21280	2.8
273.25592	1.1
287.22284	100.0
288.11536	1.5
288.22726	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	287.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	7.5
59.01374	6.5
59.08577	3.5
69.55465	7.8
69.55869	13.3
70.05005	3.3
74.02475	6.9
78.95894	3.8
80.00043	3.8
81.03468	4.0
83.01389	15.3
84.67084	4.7
96.96970	4.6
100.00430	8.0
101.98958	3.8
108.04560	5.7
125.02457	100.0
167.03491	6.8
179.04631	8.3
189.06606	4.4
251.89749	3.5
264.16928	3.2
269.02408	16.1
287.03693	9.2
287.08859	4.5
294.79163	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	287.0926
Annotation	4,8-Dihydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9(4H)-one
Peak:m/z	Relative Intensity
55.60327	0.2
59.01379	0.6
80.68812	0.2
83.01398	0.4
93.03458	0.3
97.02926	0.3
108.83713	0.2
109.02939	0.7
121.02946	0.9
122.03708	0.5
124.01584	0.3
125.02445	1.9
133.02948	0.2
135.04506	0.6
137.02443	2.9
138.05679	0.2
143.08693	0.3
147.04405	0.3
148.07680	0.9
148.08734	0.2
149.02464	0.8
149.06059	0.2
150.03233	0.4
157.06604	0.2
159.04536	0.4
161.02444	1.6
164.01108	0.4
165.01935	1.9
172.05292	0.9
173.06091	1.2
174.03256	0.4
175.03987	1.8
177.01897	0.4
177.05533	0.3
181.06584	0.4
183.04616	0.2
184.05298	0.3
185.06084	0.8
186.06833	0.6
187.04004	0.7
188.04851	0.3
189.05530	1.3
196.05217	0.3
197.06038	1.7
198.06813	0.8
199.04019	0.6
199.07666	3.2
200.04652	0.2
200.08385	1.3
201.05495	1.3
203.03496	0.8
203.07135	1.5
211.07617	0.3
212.04784	0.8
213.05579	0.9
213.14958	0.3
215.03444	0.7
215.07103	0.4
217.04999	0.4
218.05800	0.2
219.06734	0.3
227.03561	2.5
227.07095	3.1
228.03944	0.3
228.07796	0.8
229.04993	1.4
230.05818	0.8
231.06688	0.4
232.07417	0.6
240.04269	7.5
241.05014	4.7
242.05356	0.3
243.02980	1.2
243.06577	1.0
245.04433	0.3
255.06602	15.9
256.07022	1.0
257.04694	1.2
257.08069	1.3
258.05310	3.0
259.06039	1.8
259.09674	0.5
262.04736	0.4
272.03165	0.4
272.06747	0.4
287.09225	100.0
288.09567	9.3
304.05795	0.6
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
51.02705	0.4
59.01375	1.4
61.98828	9.9
65.47734	0.5
65.66104	0.4
67.80869	0.4
70.02979	0.7
71.20345	0.7
74.06110	1.3
78.95908	5.0
93.63537	0.4
96.96940	1.8
99.92590	0.4
116.92858	2.9
118.05135	0.9
182.54430	0.4
240.23378	2.2
242.21243	1.6
254.23647	0.4
260.55685	0.4
268.22629	0.9
286.23874	100.0
287.21622	0.8
287.24557	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	287.0774
Annotation	Dianthoside
Peak:m/z	Relative Intensity
54.78550	0.2
55.35714	0.2
57.03451	8.6
59.01377	0.3
65.82279	0.2
69.03446	0.3
70.61439	0.4
71.01392	1.0
73.02960	0.3
81.03461	4.2
82.95668	0.2
83.01388	17.3
85.02947	0.4
95.05012	0.4
97.02958	0.7
97.40864	0.2
99.04524	1.0
101.02454	0.7
106.49963	0.2
113.02427	0.5
121.02969	0.4
123.00894	0.3
123.04501	0.4
124.01671	0.4
125.02451	100.0
126.02785	2.5
128.21274	0.2
130.08739	0.2
137.02472	0.2
139.04004	1.0
149.02455	3.9
161.04546	0.7
167.03499	5.5
179.03432	0.3
188.96841	0.2
191.03453	0.2
197.04469	0.3
218.78935	0.2
264.63882	0.2
265.61984	0.2
269.06976	0.2
287.07751	1.4
288.07947	0.2
288.11847	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.186
Annotation	17alpha-Methylestradiol
Peak:m/z	Relative Intensity
51.72677	0.5
59.01361	1.9
61.98805	0.7
71.43335	0.9
73.99550	0.5
84.73055	0.5
84.86214	0.5
89.10930	0.4
115.05500	0.6
130.04243	17.3
131.05055	0.5
143.05019	6.7
144.05821	10.7
145.06604	11.5
156.05794	8.3
157.06593	3.1
158.03714	2.3
159.04462	0.9
162.06784	0.5
176.04787	9.2
177.05115	0.5
181.06319	0.6
183.08109	1.7
185.09708	1.2
194.05872	1.0
197.09706	2.3
198.10443	1.1
199.11234	1.8
205.38998	0.5
219.67131	0.5
243.16139	0.5
248.79262	0.6
264.76785	0.5
267.17523	56.6
268.17834	5.5
270.01511	1.4
285.04150	2.5
285.18579	100.0
286.18924	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	285.2073
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03426	0.8
57.80653	0.4
59.01378	2.4
61.18187	0.4
61.98838	1.0
62.71120	0.3
63.33941	0.3
69.76625	2.4
70.51112	0.4
71.48610	0.4
75.36066	0.4
78.95914	1.2
122.29027	0.4
123.04523	0.5
173.35971	0.4
221.19133	1.0
223.20667	57.7
224.21011	4.8
241.21780	1.2
243.15981	1.3
267.19641	33.8
268.20001	2.2
285.04114	2.7
285.20706	100.0
286.21066	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	285.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01709	0.8
66.96111	0.7
68.37937	0.7
69.51085	2.8
69.51495	1.8
70.63649	0.7
71.01382	9.9
72.99317	1.0
74.27348	0.8
75.43254	0.7
83.05025	3.9
85.02959	1.9
89.02444	15.6
89.03004	0.8
96.88406	0.7
98.19926	1.4
101.02411	3.3
113.02444	4.2
119.03626	5.4
119.05024	36.4
120.05420	1.3
120.99654	60.5
123.04480	1.4
143.03578	0.9
161.04604	1.3
163.04027	5.3
171.04456	0.8
179.05577	3.4
225.16055	11.9
225.18106	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.6
61.98833	1.9
62.67047	1.2
72.80709	1.1
76.86108	1.1
78.95924	1.9
98.20643	4.3
113.95206	1.3
130.04257	15.9
130.13127	1.2
143.04977	5.5
144.05809	7.6
144.14967	1.1
145.06583	10.9
156.05774	5.6
157.06523	2.3
158.03673	3.1
159.04579	1.5
168.84717	1.4
170.68770	1.3
176.04713	10.5
183.08015	1.5
198.10434	4.4
229.27153	1.6
243.15900	3.9
267.17523	58.4
268.17883	4.1
285.04230	7.4
285.18561	100.0
285.27139	5.2
286.18945	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	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51501	0.4
54.90523	0.3
55.44365	0.4
57.03444	0.5
59.01378	31.2
59.88187	0.3
60.01690	0.5
69.58283	2.3
83.05000	1.0
85.06578	0.9
94.49644	0.4
119.00783	0.4
139.11275	1.3
163.11282	1.2
165.12823	0.7
179.14372	1.5
195.13898	0.9
197.15453	17.2
198.15840	0.9
225.14949	18.6
226.15378	1.2
243.15988	100.0
244.16318	7.3
285.03964	1.4
285.17023	7.2
286.17422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	34.6
71.01369	0.9
83.05029	2.5
93.03452	0.3
97.06589	3.1
107.01402	0.4
111.82822	0.3
112.66010	0.3
114.68776	0.4
117.03477	0.3
123.04472	0.4
139.11250	1.4
159.04546	0.4
163.11288	0.7
165.02132	0.3
167.14380	1.7
176.73888	0.3
178.34058	0.3
179.14410	3.2
181.15964	0.7
187.04076	0.6
195.13953	0.5
197.15466	15.4
198.15836	0.5
225.14966	17.6
226.07256	0.4
226.15298	1.0
228.03746	0.5
229.05031	1.5
229.54860	0.5
243.16002	100.0
244.16353	6.5
256.03433	0.6
257.04559	0.5
285.04010	7.2
285.17084	10.4
285.27161	0.4
286.04282	0.7
286.17264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.7
56.78090	0.1
57.03435	0.6
58.90365	0.1
59.01379	2.2
61.58708	0.1
69.29403	0.9
69.29818	0.3
71.01385	11.7
72.99318	0.3
73.02949	3.1
75.00879	0.3
79.05534	6.7
81.03455	4.8
81.03938	0.2
81.58850	0.1
83.01377	1.3
83.05017	0.2
83.53777	0.1
85.02953	4.8
85.03468	0.2
87.00882	0.3
89.02441	0.7
93.03442	0.2
95.01385	0.8
95.05041	0.1
97.02984	0.4
98.84493	0.1
99.00885	1.4
101.02446	5.8
102.29208	0.1
113.02456	5.1
114.02766	0.2
114.05585	0.3
119.04157	0.2
119.05026	4.6
120.98761	0.2
120.99660	7.6
123.04527	100.0
124.03999	0.2
124.04852	2.8
125.02441	0.3
129.01933	0.2
135.41187	0.1
137.02448	0.5
143.03522	0.3
153.01955	0.2
155.03520	0.2
159.03026	0.9
161.04553	6.0
163.04015	0.7
165.05589	0.2
167.03525	0.5
205.03490	0.2
209.08151	0.1
216.97034	0.1
236.19234	0.1
243.16046	0.2
267.01498	0.2
284.26917	0.5
285.03961	0.4
285.09811	0.4
285.27002	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.7
56.78090	0.1
57.03435	0.6
58.90365	0.1
59.01379	2.2
61.58708	0.1
69.29403	0.9
69.29818	0.3
71.01385	11.7
72.99318	0.3
73.02949	3.1
75.00879	0.3
79.05534	6.7
81.03455	4.8
81.03938	0.2
81.58850	0.1
83.01377	1.3
83.05017	0.2
83.53777	0.1
85.02953	4.8
85.03468	0.2
87.00882	0.3
89.02441	0.7
93.03442	0.2
95.01385	0.8
95.05041	0.1
97.02984	0.4
98.84493	0.1
99.00885	1.4
101.02446	5.8
102.29208	0.1
113.02456	5.1
114.02766	0.2
114.05585	0.3
119.04157	0.2
119.05026	4.6
120.98761	0.2
120.99660	7.6
123.04527	100.0
124.03999	0.2
124.04852	2.8
125.02441	0.3
129.01933	0.2
135.41187	0.1
137.02448	0.5
143.03522	0.3
153.01955	0.2
155.03520	0.2
159.03026	0.9
161.04553	6.0
163.04015	0.7
165.05589	0.2
167.03525	0.5
205.03490	0.2
209.08151	0.1
216.97034	0.1
236.19234	0.1
243.16046	0.2
267.01498	0.2
284.26917	0.5
285.03961	0.4
285.09811	0.4
285.27002	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87513	3.3
59.01382	31.7
61.98814	7.0
70.21268	2.7
71.01369	7.8
71.53636	4.3
72.00933	4.1
73.02931	4.3
74.02482	5.6
75.00877	3.5
76.60111	2.9
78.95902	12.4
85.02978	3.7
87.04523	7.3
89.02433	4.6
93.03466	9.6
95.05040	5.9
96.96966	29.1
101.02477	4.8
104.44559	3.4
109.02916	6.0
119.05034	31.5
119.87942	3.9
120.99657	50.3
121.06596	7.6
123.04525	100.0
124.00728	4.5
124.04808	7.2
137.02420	25.1
143.27597	3.6
149.04601	3.8
149.06065	20.9
153.01958	10.0
154.27509	3.5
157.33199	3.5
167.03416	6.2
187.78656	3.4
211.48462	3.4
219.10214	5.3
225.06303	3.0
225.14923	3.5
226.02921	5.4
237.11305	26.8
243.15875	4.8
284.26816	16.7
285.04044	9.4
285.10010	7.9
285.13211	5.4
285.26987	9.7
286.13498	3.5
299.96945	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	285.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73376	0.6
54.91924	0.7
59.01380	42.2
60.79883	0.7
69.60340	1.0
69.60753	2.8
71.01378	4.0
83.05042	1.6
89.02441	5.7
91.01862	0.6
95.78944	0.7
101.02427	1.5
113.02463	1.6
119.03538	2.2
119.05029	57.9
120.05344	2.0
120.94039	0.6
120.99656	100.0
121.99947	1.2
123.04546	3.4
131.03511	0.8
155.03441	0.8
160.37761	0.6
163.04012	9.0
167.03482	6.8
179.05611	2.1
184.27838	0.6
225.16087	4.4
259.84488	0.7
285.04169	1.4
285.26956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77277	1.5
59.01375	4.0
61.82037	1.4
61.86746	1.2
61.98825	2.0
70.80765	3.6
71.01382	8.5
72.21838	1.3
73.02948	2.9
83.97747	1.6
85.02956	4.2
89.02431	1.6
94.75098	1.5
99.00915	1.6
101.02456	4.4
109.02973	3.4
109.35761	1.3
110.93481	2.1
111.00839	1.9
111.30412	1.6
113.02454	2.6
119.05016	4.6
120.99668	7.8
121.02930	1.7
122.03746	100.0
123.04665	8.6
123.92951	1.5
161.04547	4.4
165.05577	5.8
177.05612	1.8
224.96695	1.3
285.07336	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0403
Annotation	Luteolin
Peak:m/z	Relative Intensity
54.99570	0.2
57.01589	0.2
59.01385	2.4
60.93310	0.2
61.36292	0.2
61.98860	0.2
63.02386	0.8
65.00320	0.9
71.01391	0.2
71.54742	0.2
83.01373	1.2
91.01927	0.3
93.03459	2.5
95.01362	0.5
99.40336	0.2
107.01373	1.5
108.02171	0.4
109.02957	0.8
115.05505	0.2
117.03451	0.7
121.03022	0.4
123.00935	0.3
123.04524	0.5
130.04176	0.3
131.05003	0.5
133.02930	1.0
135.00861	0.8
137.02432	0.9
143.05037	1.3
145.02971	1.1
151.00374	2.1
154.04245	0.7
155.05055	0.5
157.06541	0.9
158.03688	0.3
159.04533	1.4
161.02391	0.6
162.65694	0.2
163.00374	0.9
164.01181	0.6
165.01938	0.4
167.05028	0.4
169.06554	1.0
171.04478	0.7
173.02449	0.6
175.04071	0.2
176.07863	0.3
184.05254	0.4
185.06093	2.4
187.03989	1.8
192.00558	0.3
195.04547	0.4
198.03197	0.4
199.03990	0.4
201.05635	0.5
211.03923	0.9
211.13327	1.1
213.05553	0.7
214.02715	0.8
215.03442	0.6
227.03416	0.7
229.05064	2.0
239.03526	1.6
240.04060	0.5
241.05125	0.6
241.14473	0.3
243.02907	0.7
243.15984	1.3
255.03114	0.5
257.04553	0.8
267.02765	0.4
284.26770	1.8
285.04028	100.0
285.27161	1.0
286.04370	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	285.0405
Annotation	Luteolin
Peak:m/z	Relative Intensity
59.01368	0.7
63.02399	0.8
65.00323	2.8
69.24556	1.5
69.52383	0.2
69.56883	0.2
81.03486	0.2
83.01392	1.5
86.53746	0.2
93.67684	0.2
94.92244	0.2
105.03445	0.8
107.01389	4.5
121.02942	0.9
132.02185	0.4
133.02956	26.2
134.03325	1.1
135.04517	0.1
143.05029	0.4
147.04594	0.2
149.02449	3.5
150.02776	0.2
151.00362	8.5
152.00673	0.4
155.04959	0.2
161.02547	0.2
169.06543	0.3
171.04498	0.6
173.02415	0.2
173.06104	0.2
173.23637	0.1
174.03198	0.2
175.03998	5.5
177.01920	0.2
185.06082	0.5
187.03923	0.2
189.05571	0.4
197.06035	0.5
198.03207	0.9
199.04008	3.8
200.04474	0.3
201.01926	1.9
205.61627	0.2
211.03976	0.3
213.05519	0.9
214.02708	0.2
215.03455	0.7
217.05031	2.2
218.05284	0.2
223.03954	0.5
226.02663	0.2
229.05035	0.5
233.27615	0.1
239.03551	0.2
241.05029	1.4
242.02083	0.2
243.03001	1.1
257.04556	0.7
267.02872	0.4
284.26855	0.3
285.04031	100.0
286.04373	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	284.1252
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
51.28928	1.2
58.02972	1.6
59.01369	5.1
61.29146	1.1
61.98822	4.4
67.27538	1.0
71.01391	2.6
71.53252	1.6
74.02461	1.7
82.02982	3.0
83.06158	7.4
85.04105	1.4
89.02465	1.6
101.07207	1.4
104.03543	7.1
109.04065	2.1
111.00871	3.3
111.05626	1.6
112.98822	1.7
113.07206	53.5
114.05590	3.9
114.07598	1.4
119.05035	8.4
120.99648	13.0
122.03677	2.4
123.04504	4.2
126.01975	1.8
127.05132	18.0
128.03506	4.2
129.01961	1.4
138.05611	1.3
139.08775	3.4
140.82619	1.0
143.03513	2.1
145.06204	6.7
145.71368	1.0
149.04550	3.4
149.06117	1.6
151.02638	7.1
152.03015	5.6
152.78799	1.0
153.10376	1.1
154.06229	2.1
155.08257	1.3
156.06610	1.6
173.83029	1.0
177.08014	1.1
178.09784	1.2
180.11420	78.0
181.09885	2.4
181.11725	2.5
188.02838	1.7
198.12465	71.7
199.12811	2.6
206.09337	2.3
207.80026	1.2
224.10391	13.6
224.96648	2.3
240.13533	3.9
242.11539	5.7
247.04848	1.1
248.92966	1.1
266.08566	2.3
266.11441	44.0
267.11911	2.1
284.07202	3.3
284.12500	100.0
284.26743	23.3
285.03702	1.5
285.12762	7.9
285.27057	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	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01381	7.2
61.98821	2.0
68.99577	1.0
69.23225	0.6
69.31654	0.6
75.00850	0.8
95.17526	0.7
101.02452	0.7
112.98588	0.8
122.59843	0.7
129.11752	0.6
160.05293	9.1
192.04311	11.7
197.90250	0.7
199.07635	1.9
201.02521	1.3
213.09219	1.3
214.09995	2.0
223.13326	0.8
239.03671	0.7
241.14531	3.6
268.03723	7.3
283.06183	4.8
283.17041	85.9
283.26443	100.0
284.06577	0.8
284.17352	7.0
284.26678	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	283.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06129	0.7
59.01379	7.7
61.98821	2.2
63.01123	0.6
63.81644	0.6
71.54486	0.7
84.04533	0.7
84.66373	0.6
86.84254	0.5
101.02483	0.6
101.33731	0.5
106.22944	0.6
113.06091	8.9
116.92877	1.1
117.91541	0.8
141.12848	5.0
183.01208	0.9
187.13402	64.3
188.13707	2.4
195.13858	0.8
201.02612	0.9
217.40787	0.6
223.08154	0.8
241.14415	2.4
268.03738	6.0
283.06110	6.0
283.13849	1.5
283.19403	2.6
283.22968	3.9
283.26407	100.0
284.26804	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	283.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53024	0.7
57.03436	3.2
59.01373	1.7
69.03452	2.3
70.35197	2.0
70.35593	1.6
71.01375	5.2
72.02163	13.3
73.83459	0.7
83.05030	4.9
87.04514	12.5
97.06573	1.4
98.03731	5.2
99.04525	3.4
103.99027	0.9
111.08163	5.3
125.02520	0.8
137.09691	1.1
139.11275	1.9
149.09731	1.4
151.11313	1.9
165.12889	5.3
167.14417	5.9
185.15456	0.8
195.13823	3.7
197.15456	16.4
198.15845	1.0
203.14360	1.2
211.17027	1.7
221.15454	4.0
224.13977	0.8
239.16515	100.0
240.16855	3.3
241.14424	7.0
253.35620	0.8
283.15381	1.3
283.26520	1.6
283.94141	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01389	1.4
69.91966	2.2
80.69765	0.4
98.20542	0.6
107.05031	100.0
108.05361	3.6
163.11284	92.2
164.11609	5.5
181.18448	0.5
195.06918	0.5
202.54924	0.4
218.35127	0.4
227.51062	0.5
241.14532	0.9
268.03708	1.4
275.99295	0.5
283.06558	1.1
283.17041	85.0
283.26367	22.7
284.17343	8.3
284.26794	1.4
291.40125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36702	0.9
55.95611	0.8
57.03444	3.0
58.96602	0.8
59.01371	3.6
67.55993	0.7
69.03441	2.4
69.42393	7.4
71.01394	6.4
71.76479	1.0
72.02161	14.9
73.02956	1.2
83.05025	5.5
84.08640	0.9
87.04517	14.4
97.06579	1.7
98.03741	5.1
99.04514	2.8
111.08170	6.0
123.08183	1.6
126.76678	0.9
137.84874	0.9
139.11301	2.8
140.54126	0.9
147.50833	0.9
149.09648	1.1
151.11296	3.2
165.12846	8.7
167.14397	7.6
193.27687	0.9
195.13905	4.2
197.15459	19.0
201.12827	1.1
211.17003	2.7
221.15446	4.2
239.16518	100.0
240.16805	6.1
241.14528	5.7
283.15451	1.6
283.26505	1.7
283.84903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1551
Annotation	Hysterone D
Peak:m/z	Relative Intensity
55.63199	0.3
56.38355	0.4
57.03448	4.4
59.01380	20.6
69.29066	3.2
76.89938	0.4
83.05029	5.7
97.06584	4.5
98.19934	0.7
110.89479	0.4
123.08150	1.0
130.91380	0.4
137.09761	1.9
139.11278	1.0
149.09758	1.9
151.11339	1.1
163.11295	7.8
165.12840	1.4
167.14442	0.5
177.12854	1.1
179.10861	0.4
179.14412	3.3
195.13893	19.8
196.14233	1.0
197.15459	3.6
223.13388	18.5
224.13675	0.9
239.16434	0.5
241.14452	100.0
242.14787	6.2
283.15503	7.6
283.26248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31752	1.3
59.01389	8.5
67.01881	1.6
69.81406	6.2
71.01376	3.5
83.02362	1.6
93.03448	2.6
96.96011	1.6
105.03474	2.9
107.05043	7.6
109.02936	1.8
119.05021	2.6
120.99650	1.7
121.02937	3.8
123.00918	7.8
123.04490	5.1
124.01622	2.5
133.02934	4.8
135.04491	4.5
137.02451	3.1
138.03221	5.3
139.03975	5.2
148.01671	2.2
149.02419	4.8
150.03195	1.4
151.04004	6.5
154.48781	1.2
161.02451	3.0
163.00420	1.5
163.03969	8.3
165.01927	16.2
167.03529	6.5
177.01932	31.5
179.03506	31.7
189.01901	3.4
190.99869	8.6
191.03516	17.1
193.01401	30.8
194.01816	1.4
195.02968	4.5
204.00508	1.6
205.01427	96.8
206.01733	4.2
207.02991	45.2
208.03409	1.8
217.01405	5.8
223.02477	73.4
224.02820	3.6
235.02478	62.4
236.02737	3.0
237.04050	16.3
241.14207	1.3
253.03534	78.8
254.03778	3.8
265.03534	48.6
266.03830	3.7
268.03799	3.5
283.04572	100.0
283.07733	3.8
283.26434	81.0
284.04904	5.9
284.26794	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06255	0.5
57.03433	0.5
59.01110	0.8
59.01382	10.6
61.98817	2.3
62.12816	0.5
63.11259	0.5
69.03448	0.6
69.21647	4.5
80.02666	2.1
80.03127	0.4
80.07333	0.4
80.81187	0.4
90.81658	0.4
95.05027	6.3
98.19815	1.0
101.02430	0.5
107.47459	0.4
113.06093	11.5
116.92873	4.0
137.09724	2.4
139.11330	1.7
167.10823	0.9
185.11821	100.0
186.12175	5.2
217.87102	3.6
221.06813	0.6
237.99405	0.8
239.12878	6.3
240.13205	0.6
280.86627	1.1
281.14447	1.0
281.17603	4.8
281.20682	0.8
281.21329	0.9
281.24802	13.0
282.14786	0.5
282.25076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2485
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
64.16393	0.4
65.12229	0.4
70.86101	0.9
76.75574	0.4
86.00238	0.4
107.54325	0.4
145.62308	0.4
183.53824	0.4
281.24847	100.0
282.25201	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	282.0843
Annotation	Guanosine
Peak:m/z	Relative Intensity
52.91029	0.2
59.01373	0.8
62.64634	0.2
66.00974	0.6
70.53621	0.7
70.53966	0.2
71.01347	0.4
73.02926	0.3
82.04104	1.0
89.02433	0.3
102.63731	0.2
107.03631	4.3
108.02035	10.9
108.93748	0.6
109.02350	0.3
110.53364	0.2
126.03096	3.1
133.01564	29.5
134.01929	0.2
150.04210	100.0
151.02625	0.6
151.04678	2.1
164.05846	0.4
222.96887	0.6
282.08417	29.6
283.08762	1.6
283.26346	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	19.4
59.01379	50.1
60.01703	0.8
69.39970	6.2
71.01380	1.5
72.99299	6.7
73.02940	1.1
79.05556	1.7
82.80723	0.7
83.05032	1.5
87.04484	3.9
93.03466	1.9
96.96057	0.8
97.06580	1.6
98.20717	1.5
101.02426	1.0
105.87115	0.9
109.06600	1.9
119.08659	11.7
121.06591	2.9
123.08209	1.1
135.08104	2.3
135.11800	8.7
137.02431	3.6
137.09734	6.4
156.56015	0.9
161.09729	7.7
163.00380	0.9
163.11238	0.9
175.11255	2.0
177.12845	30.0
178.13184	1.5
193.12338	2.2
195.13884	1.8
213.81029	0.8
221.11819	100.0
222.12083	5.1
237.14954	2.9
239.12880	80.9
240.13264	5.9
281.04123	1.1
281.06696	2.7
281.13901	7.4
281.24902	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	281.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36726	0.4
54.77672	0.3
59.01381	12.5
61.98827	3.3
62.74359	0.5
63.52536	0.4
69.03438	0.7
71.01378	0.6
71.54103	0.5
73.18335	0.4
75.61594	0.5
80.02679	1.8
81.04076	0.5
93.55579	0.4
95.05015	5.3
110.74352	0.4
113.06096	8.6
116.92861	6.8
117.92893	0.7
119.08710	0.5
119.89309	0.5
137.09726	2.1
139.11253	1.6
161.04764	0.5
167.10744	1.1
183.13890	3.5
185.11821	100.0
186.12155	3.9
196.89415	0.5
203.22070	0.5
217.87068	4.6
218.87170	0.8
221.11908	0.7
237.99333	0.6
239.12823	5.4
253.18121	0.8
280.86697	1.0
281.14307	1.1
281.17593	4.4
281.20682	0.7
281.21545	0.9
281.24854	13.6
282.25259	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73359	0.5
59.01378	100.0
60.01719	0.9
69.47972	2.7
69.48392	0.7
71.01387	0.6
73.76180	0.4
77.45762	0.5
80.63364	0.5
83.21876	0.5
85.02940	0.9
88.21381	0.6
95.07917	0.5
100.40624	0.5
101.02461	1.4
120.19405	0.6
150.04211	0.5
153.07341	0.5
184.65364	0.5
221.10234	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	281.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	45.0
59.01384	3.7
70.41582	2.1
70.41924	2.4
71.01408	3.5
72.02171	6.4
81.07096	2.7
83.05027	42.0
85.33446	1.5
87.04515	100.0
88.04858	1.8
95.05029	2.0
97.06579	24.5
98.03710	2.2
98.20543	1.7
99.77679	1.4
109.06620	1.7
113.06081	12.2
113.81399	1.5
123.08167	2.1
135.08147	2.9
137.09732	18.5
139.07625	3.2
149.09676	2.4
151.11256	1.9
153.09216	13.9
165.12827	9.6
177.12885	1.7
179.10745	1.5
193.12267	1.8
195.13892	29.4
195.15590	2.5
196.14081	1.8
209.15451	3.0
211.49055	1.4
219.13873	6.8
237.14944	77.7
238.15337	6.5
239.12909	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	281.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	40.0
59.01384	2.8
69.30070	4.1
69.30470	6.5
71.01379	4.8
72.02178	4.3
81.07101	4.0
83.04527	1.5
83.05031	42.4
87.04518	100.0
88.04868	1.8
91.70267	1.3
95.05032	5.5
97.06596	22.2
98.03772	1.8
98.19833	2.8
113.06094	13.0
121.06602	2.3
123.08127	2.4
135.08182	3.1
137.09712	18.6
139.07686	2.3
139.11420	1.3
149.09732	2.4
151.11333	2.5
153.09212	14.1
161.09785	1.7
165.12849	7.7
177.12814	2.2
179.10815	1.7
192.26450	1.2
195.13913	27.3
196.14265	1.4
209.15439	1.9
219.13869	5.7
237.14963	78.4
238.15247	4.8
239.12889	3.2
280.48242	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	279.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33046	0.4
59.01368	0.8
70.49899	0.9
70.50260	1.3
85.38624	0.4
98.20557	0.6
99.82040	0.5
111.30485	0.4
132.84717	0.5
142.68291	0.5
146.89703	0.6
173.11678	0.6
233.18159	0.5
261.22052	0.6
270.13516	0.4
279.23276	100.0
280.23584	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	281.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01705	1.4
61.98823	0.6
69.03456	0.5
71.01387	1.6
71.52975	0.5
73.02944	0.5
85.02967	0.9
89.02482	0.5
89.41820	0.5
100.81625	0.4
100.93070	0.5
101.02451	1.4
107.06826	0.5
113.02425	0.9
119.03526	0.4
119.05126	0.4
121.02933	0.4
128.26097	0.4
150.04259	0.5
152.38058	0.4
153.25085	0.4
161.04555	0.8
221.10249	4.8
221.11842	0.4
239.12831	0.5
245.11272	0.4
281.11533	1.0
281.24805	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	279.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52905	0.4
54.51815	0.3
59.01368	0.4
71.29211	0.4
71.29558	0.4
146.74648	0.3
279.23282	100.0
280.23615	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	279.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94104	0.3
59.01376	0.4
60.45065	0.4
65.43345	0.3
66.61147	0.3
70.36488	0.4
70.60402	0.7
87.50881	0.3
103.84971	0.4
180.79073	0.4
253.98538	0.4
279.23285	100.0
280.23602	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	278.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	3.3
59.01388	2.0
59.28202	0.6
61.98814	1.9
62.80169	0.6
65.03969	1.8
67.01888	0.7
68.01408	0.8
71.01385	13.9
71.18086	1.1
72.04550	10.7
73.02950	44.4
78.95909	0.7
79.05537	1.9
82.03002	1.2
82.74511	0.5
84.04543	8.3
84.38143	0.6
85.02958	20.2
86.06111	1.0
93.07095	0.6
94.03006	1.2
95.03826	1.1
96.04541	1.5
97.05337	1.5
98.06121	30.0
102.05604	0.9
104.07186	1.0
107.03716	0.8
107.08655	1.5
110.06113	2.0
116.92850	1.7
119.08665	1.7
120.04501	1.0
122.06116	2.4
124.07682	0.7
128.07100	0.6
130.05113	16.1
131.08688	1.3
134.89432	1.1
136.07703	1.8
145.10179	0.8
145.59703	0.7
146.08237	2.6
147.11804	100.0
148.07680	0.7
148.12138	4.6
154.08723	1.4
170.08266	0.8
172.09798	33.9
173.09984	1.3
173.49799	0.6
190.12375	4.8
191.10863	0.7
202.12425	0.7
204.13940	12.3
205.14192	1.0
217.87148	1.0
241.79286	1.1
260.16522	1.8
278.17612	32.3
278.22101	1.0
279.17944	2.1
279.23282	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	279.1238
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
57.03441	11.2
59.01379	5.9
69.03441	1.1
69.22017	8.6
71.01383	2.5
79.05540	1.1
79.58853	0.8
83.05018	2.9
89.02419	2.3
91.41695	0.9
95.05025	2.4
97.02936	6.1
97.06600	3.5
99.04504	2.3
101.02412	1.5
107.05003	1.7
109.02933	5.2
109.06576	5.1
111.04510	4.1
119.08652	3.1
119.79134	0.9
121.06600	5.5
122.03735	17.5
123.04536	2.4
124.05314	19.1
125.06078	4.8
131.03439	1.4
135.04518	1.2
135.08128	1.1
136.05252	1.5
137.06100	11.3
137.09688	1.5
139.07648	100.0
140.07954	3.4
145.10182	1.1
147.08134	3.0
149.06039	1.1
163.07559	1.6
163.11305	1.8
168.07906	22.7
169.08661	3.4
171.08127	3.4
172.08856	1.6
175.11282	2.1
177.12859	1.3
185.09575	1.3
187.11270	18.6
188.11552	2.0
189.09145	1.0
190.02611	0.9
190.09972	3.9
190.99619	0.9
205.12334	38.2
206.12636	2.1
217.12262	2.4
227.65338	0.8
231.10016	1.5
235.13365	5.3
249.11244	5.2
270.55826	0.9
279.08881	2.2
279.12323	13.4
279.23294	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.7
59.01691	0.4
71.22336	1.1
77.72262	0.5
84.44654	0.4
89.36440	0.5
113.49143	0.5
116.83473	0.5
166.37016	0.5
211.04129	0.6
233.22563	0.5
242.93863	0.6
259.20547	0.7
277.21710	100.0
278.22021	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	278.0666
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
55.92234	0.4
59.01385	2.4
61.98819	0.6
69.56759	2.6
71.01014	0.5
71.01386	5.0
72.00923	0.6
74.02467	0.4
81.72744	0.4
87.00930	0.5
88.04037	25.2
89.02464	0.4
93.03458	0.7
99.00828	0.3
101.02466	0.9
101.04296	2.7
107.05029	0.6
113.02449	0.4
114.01977	2.9
115.00368	10.1
116.05015	0.5
117.03477	0.7
119.05025	10.5
121.02960	0.5
123.73922	0.3
131.05316	0.5
132.03026	100.0
133.03383	1.4
137.00043	0.4
143.03307	0.4
145.02968	2.7
149.06404	3.3
162.05569	0.7
163.04001	3.0
188.07211	0.5
234.07701	1.3
278.06668	6.4
278.21994	0.9
279.08942	0.5
279.23227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
58.02985	4.9
59.01383	2.9
65.03950	1.0
65.36462	0.6
66.03489	0.8
67.01885	1.3
71.01383	20.7
71.30757	1.4
72.04553	25.5
73.02949	68.7
74.03269	1.5
79.05556	0.8
82.02976	0.7
84.04551	32.3
85.02957	32.2
86.03319	0.7
86.06105	1.1
87.65085	0.6
93.07095	2.6
94.02995	1.6
95.03791	1.0
96.04559	2.3
98.06123	100.0
99.06445	1.8
102.05609	1.9
104.07188	2.4
107.08669	2.2
108.04523	0.7
110.06145	4.2
119.08687	3.0
120.04544	0.8
121.05323	0.7
122.06109	2.1
124.07758	0.6
128.07181	2.8
130.05106	15.4
134.57014	0.6
136.07690	3.8
144.06648	1.9
145.10237	1.0
146.08231	12.3
147.11807	83.0
148.12122	4.1
152.07173	1.1
154.08707	3.7
170.08177	1.5
172.09799	69.8
173.10030	2.3
190.12405	3.4
191.10782	0.8
204.13921	5.8
260.16504	1.0
266.49353	0.6
276.16180	1.0
278.17624	33.4
279.18021	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	277.2168
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01377	4.9
62.54716	0.3
66.06122	0.3
69.18167	2.7
71.01373	0.6
79.95758	0.5
97.06543	0.3
97.30156	0.2
121.02928	1.0
127.07581	0.3
155.88791	0.2
205.15836	0.6
233.19084	0.5
233.22589	0.4
255.86153	0.3
259.20663	0.5
275.20102	0.6
277.18314	6.8
277.21692	100.0
278.18784	0.3
278.22031	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.7
60.22080	0.4
61.98825	1.1
81.18867	0.5
84.15742	0.5
85.69605	0.4
100.78125	0.5
117.03423	0.6
121.02920	2.7
134.89511	1.0
137.02516	0.5
161.02411	0.8
198.08801	0.5
205.01402	0.6
205.15903	0.7
205.19754	0.5
233.19070	2.1
234.19434	0.5
241.79422	0.6
248.01576	0.5
277.18185	12.0
277.21689	100.0
278.18887	1.1
278.22064	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	277.2173
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.12937	0.3
59.01377	4.1
61.98816	0.5
71.01379	0.3
72.74556	0.3
74.46788	0.3
79.95724	0.3
91.91959	0.3
117.03475	0.3
119.05008	0.4
121.02950	1.4
134.89406	0.4
156.88989	0.3
161.02362	0.5
205.15913	0.9
233.18983	0.6
233.22833	0.5
259.20822	0.4
275.54047	0.3
277.18317	6.4
277.21695	100.0
278.18890	0.6
278.22043	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.71877	0.4
59.01375	0.6
71.44087	0.6
84.72465	0.4
86.83925	0.4
94.13936	0.4
102.03050	0.4
180.82155	0.3
233.22734	0.6
277.21716	100.0
278.22049	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	277.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34513	0.6
59.01379	100.0
60.01704	0.9
69.64993	3.2
71.01384	4.5
73.02950	1.6
81.73770	0.7
83.01414	1.1
85.02971	2.3
98.20618	1.2
101.02413	3.9
113.02489	1.1
134.53487	0.6
161.04565	2.1
173.38786	0.8
177.75771	0.7
216.71252	0.7
235.11847	6.9
277.21542	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1808
Annotation	4-epi-7alpha,15-dihydroxypodocarp-8(14)-en-13-one
Peak:m/z	Relative Intensity
50.01257	1.0
54.05121	0.9
57.03444	3.0
59.01381	3.8
61.98826	2.3
78.95886	1.2
93.03506	1.1
96.96939	1.2
100.03989	1.1
103.00415	1.2
107.05032	1.8
110.22389	1.0
112.11877	1.0
120.05822	14.0
121.02982	6.5
121.06607	9.0
123.04528	1.1
133.06577	2.8
152.04819	9.7
189.12859	15.0
201.12859	4.8
205.15939	7.4
209.79361	1.1
229.15921	11.1
231.17482	4.4
241.15997	6.7
257.15424	2.5
259.17029	100.0
260.17337	8.3
277.14502	6.5
277.18082	16.5
277.21710	22.1
278.18402	1.0
278.21835	1.8
293.75964	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01720	1.8
61.85315	0.7
66.93657	0.6
69.64976	2.5
69.65404	2.1
70.65323	0.7
71.01394	4.0
73.02947	2.3
78.36186	0.7
83.01398	0.7
83.53281	0.8
85.02512	0.7
85.02968	3.2
98.20671	0.8
101.02457	5.7
113.02473	2.1
120.25888	0.7
148.49843	0.7
161.04610	2.5
235.11853	8.8
294.02875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30690	1.0
55.32059	1.2
56.17948	1.1
57.03457	17.6
58.02969	3.8
59.01375	2.5
61.98815	2.3
67.01881	2.3
67.05550	1.7
69.61520	5.2
70.02984	4.7
72.04556	14.3
73.02968	1.1
82.02988	4.0
84.04554	9.5
85.90238	1.2
94.02986	1.5
96.04581	2.9
96.08202	3.1
97.06567	1.5
98.02493	6.9
98.06136	14.1
107.08678	2.2
108.04556	8.4
110.06114	2.5
110.27451	1.0
112.07722	6.5
113.01227	1.0
114.05616	45.6
116.92842	2.0
117.92881	2.1
121.02943	2.2
121.10214	4.4
122.06112	1.4
124.07687	16.2
126.05701	1.2
130.08740	36.5
133.10258	2.1
138.09236	3.0
140.07187	6.1
142.08762	1.8
147.11748	2.1
152.03560	1.7
156.10307	100.0
157.10663	2.9
159.11819	2.0
161.13367	19.7
162.13670	2.0
182.11893	11.3
190.16023	1.3
204.13806	1.3
218.15504	2.2
260.16556	3.5
266.90576	1.1
276.19687	42.2
277.14539	2.2
277.17737	2.1
277.22034	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	276.1603
Annotation	Lycoposerramine E
Peak:m/z	Relative Intensity
58.02969	1.5
73.02943	5.9
84.04546	100.0
85.02944	1.4
85.04877	1.0
85.14499	0.7
93.07102	1.5
96.04548	1.5
102.05609	86.9
103.05968	1.7
126.05691	0.7
147.11815	2.3
169.07489	2.2
190.12428	4.4
233.40857	0.7
276.16034	70.5
277.16388	4.8
277.21594	1.5
291.58585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49027	1.2
57.03440	2.8
58.02715	2.1
58.02980	33.2
59.01377	3.2
61.98827	2.8
63.83705	1.2
65.03951	2.5
67.81229	1.2
69.38861	1.2
71.53899	1.3
75.48065	1.5
78.50438	1.1
84.04553	100.0
85.04876	1.8
93.07112	1.6
93.39456	1.1
96.04561	1.4
116.92831	2.1
121.02930	3.8
126.09274	2.0
128.07190	21.2
137.66751	1.3
142.49046	1.2
144.10320	10.9
145.10251	1.5
147.11812	48.5
148.12094	2.4
152.10814	1.3
170.11880	99.8
171.12192	4.6
190.12364	5.0
192.37871	1.3
239.87025	1.2
276.19705	15.0
277.21848	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	276.1969
Annotation	Venlafaxine
Peak:m/z	Relative Intensity
52.75089	0.8
57.03460	1.3
57.40007	0.8
58.02973	25.3
59.01369	4.0
61.98823	1.3
65.03939	1.2
66.80717	0.9
71.05020	15.7
72.04544	2.7
83.05035	1.5
84.04546	44.8
93.07105	1.2
96.04529	1.7
98.06123	5.7
107.08678	1.1
114.05646	1.0
119.08660	1.1
121.02946	1.3
126.09227	3.9
128.07184	6.8
130.08755	1.0
132.20778	0.8
144.10304	14.2
145.10262	1.1
147.11798	40.7
148.12111	2.4
152.10823	2.2
154.08728	0.9
170.11862	100.0
171.12244	4.5
190.12326	2.6
190.81596	1.0
276.16495	1.3
276.19653	16.9
277.15109	1.0
277.18066	4.0
277.21768	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	275.1651
Annotation	Methoxyconidiol
Peak:m/z	Relative Intensity
59.01378	1.4
59.09677	0.5
61.98825	1.1
69.75533	1.0
69.75935	2.5
75.58479	0.6
83.01385	2.6
96.66382	0.5
98.19897	0.9
110.90744	0.6
112.98588	0.7
113.02454	0.8
116.92874	4.7
117.03535	0.6
125.02467	0.8
125.43340	0.5
133.02940	0.7
134.03745	40.2
135.04082	0.9
147.04512	0.6
149.46405	0.5
151.83430	0.6
154.99815	0.8
166.02711	23.8
167.63882	0.6
173.06067	1.9
174.06787	1.4
175.57143	0.6
231.10326	1.4
252.34224	0.6
273.14981	0.6
275.04218	3.5
275.09262	2.1
275.16510	100.0
276.16870	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	275.2014
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
50.32114	0.5
55.53143	0.5
59.01376	3.6
61.98825	0.9
70.76945	1.2
71.01404	1.0
77.02748	0.5
91.85287	0.5
116.92841	0.8
127.07611	0.6
131.27158	0.5
139.17168	0.5
177.16515	1.0
179.87233	0.7
183.13950	0.6
196.66225	0.5
231.21179	5.9
275.20142	100.0
276.20490	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	276.1241
Annotation	Obscurolide A3
Peak:m/z	Relative Intensity
59.01371	1.1
61.98816	0.9
64.70283	0.6
71.24298	1.0
85.02946	0.8
91.05540	1.9
100.07666	1.1
101.06085	1.1
118.06631	1.6
121.02931	1.5
128.07179	28.1
129.07507	1.0
134.03763	0.7
156.90637	0.6
184.12131	0.5
200.42659	0.7
204.13829	1.7
232.13411	100.0
233.13702	6.2
252.48280	0.5
276.12457	2.0
277.21643	3.3
281.32657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19802	0.5
56.00968	0.5
59.01364	0.8
67.38589	0.5
67.61655	0.5
69.65957	2.9
72.00917	8.0
72.19282	0.5
74.02476	10.3
93.91901	0.5
102.01961	1.2
108.84637	0.5
108.97671	0.5
116.05065	36.7
117.05407	0.9
129.05852	0.6
130.06628	2.1
135.04448	0.7
142.06613	10.1
143.07079	0.7
159.09276	8.5
161.61983	0.6
172.80469	0.6
186.05626	1.3
203.08269	100.0
204.08612	5.2
231.07756	2.3
275.06714	1.6
285.47882	0.6
297.56976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0773
Annotation	Ranunculin
Peak:m/z	Relative Intensity
55.01868	1.4
57.03449	17.5
57.48020	0.7
59.01369	6.5
61.98825	9.7
65.93964	0.7
67.01871	1.0
71.01379	27.2
72.99299	1.9
73.02940	10.3
83.01389	3.5
85.02950	14.3
87.00872	1.8
89.02441	2.0
95.01398	2.1
97.02945	1.0
99.00862	4.4
101.02441	14.1
113.02447	100.0
114.02750	1.8
114.05602	2.1
128.03563	1.2
129.01917	1.0
143.03465	1.4
143.20959	0.9
145.48155	0.7
146.02423	0.7
159.02992	2.5
161.04543	21.0
166.24617	0.6
191.05566	1.5
215.98175	0.8
236.69148	0.7
257.11441	1.5
275.02036	2.6
275.07724	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	274.1448
Annotation	Huperzine P
Peak:m/z	Relative Intensity
50.42060	0.3
55.46787	0.2
60.55595	0.2
61.98819	0.5
64.53590	0.3
64.70130	0.3
66.54865	0.3
69.89485	1.3
75.08279	0.3
84.34994	0.3
93.03454	0.7
105.54867	0.3
116.92811	0.5
121.02950	3.7
141.42896	0.3
151.01506	0.7
151.02742	13.0
152.03146	0.3
154.01468	0.4
157.08873	0.3
164.03535	1.0
166.51343	0.3
172.03979	0.9
175.07605	0.4
183.01711	6.7
188.07129	0.8
190.05084	6.9
191.05875	1.5
204.06635	3.8
205.07439	7.3
206.07825	0.4
220.06102	0.3
227.84993	0.4
237.06337	0.4
274.14471	100.0
275.14801	7.5
284.42047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1498
Annotation	Nimbidiol
Peak:m/z	Relative Intensity
51.49397	0.6
51.97124	0.7
54.54192	0.7
59.01373	0.8
60.32666	0.6
61.98824	0.8
64.24150	0.6
65.44096	0.6
69.82917	3.0
80.19075	0.6
98.20591	0.7
116.92854	2.2
134.03740	20.4
134.20580	0.7
134.89510	1.5
135.04274	0.6
136.89166	0.9
166.02722	14.1
171.04456	0.7
173.06062	2.0
174.06841	0.8
187.07614	1.0
188.08376	1.0
193.07709	1.5
255.13879	0.9
273.03793	3.3
273.14951	100.0
274.15329	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	273.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66955	5.0
61.02471	5.6
65.74471	5.3
71.53156	8.9
78.95918	82.4
87.00876	100.0
90.40485	5.4
110.98546	44.4
116.52235	5.7
129.01950	11.0
159.10962	5.6
178.99977	5.5
180.87221	5.7
198.90501	12.7
226.52412	7.3
237.06110	49.8
241.01265	14.0
273.03796	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0407
Annotation	1,3,5,6-Tetrahydroxy-8-methylxanthone
Peak:m/z	Relative Intensity
58.15054	0.3
58.71607	0.3
59.01390	0.5
59.37651	0.3
69.58247	1.7
79.67005	0.3
91.32950	0.3
98.20685	0.3
118.74272	0.3
130.04224	0.3
139.11102	0.3
141.03476	0.6
145.02954	0.6
146.03737	1.3
148.01660	1.9
158.03746	1.1
161.02399	0.7
169.02960	2.3
173.02486	0.8
174.03221	2.9
177.01944	1.5
185.02440	2.0
186.03232	1.1
187.04008	1.4
190.02715	5.3
192.00710	2.2
193.07768	0.5
197.02467	1.1
199.00349	1.2
201.01979	2.0
201.11401	0.4
202.02669	0.6
205.01404	0.4
205.04916	0.4
213.01912	4.8
214.02693	4.3
217.01454	1.2
218.02071	0.3
222.01714	0.7
229.01341	0.4
229.05060	2.0
230.02115	1.7
231.02942	1.0
241.01421	0.8
245.00911	1.7
245.04424	0.7
273.04050	100.0
274.04404	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	273.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58352	0.1
57.03437	0.1
59.01388	0.3
63.26460	0.1
71.01379	0.3
71.53277	0.2
72.99311	0.2
73.02931	0.2
78.95902	73.4
84.04517	0.2
85.02927	0.9
87.00876	2.5
96.95998	0.5
96.96956	4.8
97.04068	0.1
98.97376	0.2
99.00851	0.2
110.98531	58.7
111.98883	0.2
125.02438	0.2
126.30386	0.1
127.05138	0.4
128.03560	0.9
129.01959	0.3
131.08286	0.5
136.39026	0.1
136.93987	0.3
136.95012	0.2
145.06174	0.8
158.09319	0.1
185.02005	0.3
198.90477	0.5
212.10410	0.3
223.00159	0.4
237.06224	1.0
238.08313	0.2
241.01178	18.1
242.01500	0.4
254.86290	0.1
256.09204	0.2
273.03787	100.0
274.04126	3.1
274.10452	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27461	0.2
61.28589	0.2
61.74114	0.2
61.98841	0.2
69.59872	0.2
71.08477	0.3
71.08822	0.2
73.02930	0.3
79.83292	0.2
101.06083	100.0
102.06415	2.1
108.02194	0.9
134.89481	2.5
135.89478	0.3
139.09268	0.2
169.12343	7.1
169.55128	0.2
187.13394	7.9
188.13754	0.3
211.20634	0.3
224.23695	0.2
271.19180	13.1
271.22791	17.5
272.19510	0.8
272.22980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
52.02679	0.4
53.26175	0.4
57.63449	0.5
59.01355	1.0
60.20795	0.4
61.98852	0.6
71.01395	0.4
71.08787	0.7
77.60809	0.4
80.40553	0.4
86.98078	0.4
88.04022	0.5
97.02977	0.4
97.86220	0.5
101.06075	2.2
108.02200	1.7
110.39929	0.5
119.88074	0.5
123.91841	0.4
125.02463	0.5
134.89471	2.0
187.13419	0.4
189.90741	0.5
225.22249	4.4
253.21800	1.5
269.21259	0.8
271.22772	100.0
272.23050	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	271.0976
Annotation	Eulophiol
Peak:m/z	Relative Intensity
51.24983	0.5
56.64419	0.5
59.01370	1.6
61.98825	0.7
65.70836	0.6
69.87737	2.7
71.01411	0.9
77.44030	0.6
83.05027	0.9
83.91998	0.5
95.42050	0.6
108.02165	5.1
109.02930	1.3
109.74122	0.6
119.74992	0.5
125.02441	0.6
129.05652	0.6
141.07170	0.5
148.66991	0.5
169.06566	1.3
171.04555	1.2
177.09039	0.6
184.21690	0.5
185.06085	2.7
195.04462	1.4
196.05281	1.8
197.06073	11.2
199.04010	5.3
212.04790	5.3
213.05560	10.6
223.04050	0.7
224.04831	1.3
227.07253	0.8
240.04288	59.7
241.04980	14.2
255.06621	100.0
256.07352	45.0
257.07773	2.2
271.02408	1.6
271.09753	79.3
271.22739	1.6
272.10095	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	271.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00946	0.5
51.45720	0.5
59.01369	0.7
61.98829	0.9
71.09014	1.1
76.65398	0.4
80.38546	0.4
93.03449	0.5
95.01385	1.4
102.99347	0.5
108.02167	3.1
134.89471	2.7
136.01649	6.7
137.02463	0.7
148.05292	15.9
149.05984	0.9
180.04274	16.5
181.04601	0.6
182.04762	0.5
187.07671	2.2
188.08371	0.5
201.09293	0.5
202.09651	0.4
270.61530	0.5
271.17020	100.0
271.22842	2.6
272.17368	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	271.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00434	0.1
50.41772	0.1
50.55783	0.1
51.62161	0.1
55.01873	0.2
57.03433	0.2
59.01380	2.7
61.98832	0.2
68.99545	0.4
69.03473	0.2
69.55315	1.1
71.01377	8.1
72.99301	0.3
73.02945	2.2
81.03460	0.4
83.01392	0.5
85.02947	4.0
87.00867	0.2
89.02463	0.5
93.03429	0.2
95.01382	1.5
97.02950	0.3
99.00887	1.3
101.02438	4.8
107.05042	0.4
108.02170	100.0
109.02999	10.9
110.03324	0.4
112.98618	0.4
113.02448	4.7
114.05604	7.4
114.06412	0.4
121.02945	1.0
123.00898	1.2
123.04536	1.5
128.07150	0.2
130.08749	1.3
133.02945	1.0
134.03726	0.3
134.04663	0.4
135.04488	0.4
143.03503	0.3
151.03987	4.5
159.03014	1.4
161.04549	6.8
162.04959	0.2
163.03978	1.6
165.98238	0.2
174.99255	0.9
175.02473	0.6
176.98827	0.7
205.03424	0.2
207.99329	0.2
228.01889	0.3
270.97629	0.2
271.08307	1.0
271.22797	0.2
272.04526	4.5
272.09744	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23158	1.2
59.01375	5.7
63.34570	1.2
66.50957	1.2
67.01867	1.4
69.24438	3.6
69.24854	7.8
71.01385	8.4
72.99305	4.9
73.02942	1.4
80.02706	2.0
82.13583	1.1
83.01376	4.0
83.04990	1.3
85.02907	1.7
87.00871	4.0
89.02426	1.9
93.03470	11.5
96.99284	1.5
97.00245	1.2
97.06574	4.7
97.98367	1.3
98.20687	2.6
99.00892	4.7
107.04993	1.8
108.02131	3.5
109.02973	1.3
109.06583	5.3
111.00887	2.6
111.04507	1.3
112.98815	9.4
115.00362	4.2
117.01905	2.4
121.06574	1.7
123.08175	1.8
124.98788	3.1
125.06078	8.5
127.07648	3.6
133.02963	6.6
134.03716	2.8
135.04521	2.6
136.01588	1.1
137.06096	7.3
139.07664	3.9
142.99863	42.6
149.06033	4.1
153.05563	11.9
155.07123	2.6
161.02414	5.6
167.07124	6.2
169.02161	3.5
171.04489	1.4
173.00928	6.4
173.04498	3.5
174.01686	100.0
175.02086	3.2
176.04852	1.8
176.51260	1.1
176.53307	1.6
177.01852	2.7
178.02705	3.5
179.03401	2.3
184.04526	3.2
185.06029	1.4
191.07150	1.5
193.05031	11.9
211.06155	2.7
215.03540	1.7
227.03630	1.8
227.07095	2.1
229.01411	1.2
243.02910	1.4
253.04980	3.2
256.04913	2.1
263.56046	5.6
264.06113	2.1
271.02490	32.9
271.06641	3.9
271.15909	1.4
272.02942	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	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40114	0.8
59.01368	2.4
62.64050	0.9
69.54158	5.2
71.01378	1.6
72.99302	1.2
73.00002	0.9
78.14333	0.9
83.01373	2.7
87.00878	1.3
99.00881	3.1
108.02184	0.8
109.06579	1.9
112.98803	5.3
115.00370	1.7
117.01907	0.9
120.53695	0.9
127.69827	0.9
128.03552	2.5
137.06126	1.0
139.07608	1.5
142.99829	3.1
143.04611	3.8
153.05577	3.4
157.47244	0.8
167.07187	1.0
173.00925	2.1
174.01688	100.0
175.02141	3.2
179.04614	0.9
183.01331	1.0
193.05122	1.4
271.02109	0.9
271.08328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.1
60.14045	1.1
65.77269	1.0
71.01365	2.3
71.54537	1.6
73.02919	1.3
83.01392	2.2
87.00883	1.6
99.00872	4.0
108.02161	2.2
109.06596	2.0
111.00888	1.8
112.98800	6.9
115.00395	1.2
123.08115	1.2
125.02408	0.9
125.09692	2.7
130.15346	1.1
142.99846	4.3
149.06125	1.1
153.05527	3.1
153.09187	1.3
173.00922	2.6
174.01678	100.0
175.02113	3.6
182.84679	1.0
193.04999	2.3
227.12831	2.3
271.08270	8.5
271.10861	1.4
271.15457	4.7
284.58978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2122
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
57.30443	0.3
59.01374	0.5
69.94363	0.6
69.94753	0.5
70.86780	0.2
85.92139	0.2
111.71347	0.3
113.09700	0.9
125.09731	0.7
127.11272	1.1
127.67862	0.2
141.12909	0.4
155.10782	3.1
171.10265	4.7
223.20706	0.3
225.22250	0.4
228.59435	0.3
233.19205	0.3
251.20166	7.4
252.20375	0.4
267.19586	0.6
269.04532	0.7
269.21216	100.0
270.21542	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	269.2122
Annotation	2-keto palmitic acid
Peak:m/z	Relative Intensity
55.19385	0.3
57.03447	0.3
58.14717	0.3
59.01366	1.2
61.98811	0.5
69.88050	1.0
69.88467	0.7
72.99327	0.5
81.03458	0.3
83.01341	0.3
83.05020	0.6
98.54996	0.3
117.03472	0.5
137.02425	0.3
179.14886	0.4
185.31639	0.3
186.95569	0.3
198.73486	0.3
205.01102	0.3
221.19121	0.9
223.20663	33.3
224.20943	1.7
251.20126	1.1
267.19577	0.7
269.04776	1.5
269.21213	100.0
270.21564	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	269.2122
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
54.67132	0.4
59.01389	0.6
61.98824	1.1
70.10355	1.3
71.01358	0.4
83.05016	1.1
89.02446	0.6
99.04508	1.2
101.06084	5.6
102.11863	0.3
117.17332	0.4
125.09758	0.8
127.11269	2.5
167.10829	0.5
171.10274	10.1
185.11787	1.9
186.95628	0.6
187.13402	1.2
209.25012	0.4
225.22137	0.5
233.19135	0.5
251.20142	12.1
252.20456	0.9
267.19595	0.6
269.04623	2.4
269.21207	100.0
270.01727	0.4
270.21564	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	269.1757
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
51.85222	1.1
57.00005	0.9
59.01368	1.5
61.98833	2.2
68.99783	1.2
71.54458	1.5
74.42724	1.0
77.38642	1.0
83.05016	4.4
86.27291	1.0
96.99368	1.1
99.04520	45.3
101.06081	100.0
102.06409	1.4
113.93012	1.0
117.03476	1.1
167.10796	6.4
169.12297	3.5
185.11847	14.0
187.13376	13.1
198.55402	1.1
251.20123	1.2
269.04675	6.6
269.17526	50.5
269.21121	13.2
269.24768	7.2
270.17892	3.2
270.21075	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	269.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38735	0.8
53.95416	0.8
54.96907	0.8
55.01876	9.7
57.03454	7.0
58.00584	2.8
59.01378	54.9
65.52444	1.0
66.25024	0.8
66.98851	0.7
69.03442	1.5
71.01379	100.0
71.55081	1.2
72.01727	1.4
72.99314	5.6
73.02944	39.4
75.00881	1.6
77.15182	0.8
83.00918	1.6
83.01386	22.1
85.02948	48.8
86.03320	1.2
87.00863	3.7
89.02449	4.4
95.01389	6.9
95.10849	0.8
96.96013	14.7
97.02939	2.3
99.00883	14.7
101.02439	77.1
102.02755	1.9
107.05024	1.4
111.00890	1.3
113.02444	38.7
114.02785	1.0
125.02431	2.9
129.01929	1.3
129.09262	1.3
135.04556	1.3
143.03494	2.7
159.02982	8.5
161.04549	30.4
177.12840	1.7
181.03413	0.8
189.11307	2.0
197.05966	0.9
205.03577	0.8
227.12846	3.3
269.04437	6.4
269.06998	9.4
269.10281	11.6
269.13208	1.7
269.21204	4.0
269.24753	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	269.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75345	0.8
57.03440	1.4
59.01379	100.0
60.01719	0.9
61.98820	1.2
65.73109	0.8
69.20871	4.3
69.21302	4.0
71.05038	1.0
99.04516	3.9
107.55270	0.9
117.03448	1.4
133.03990	0.9
139.03900	1.4
149.02431	0.8
151.00395	1.1
165.12810	7.7
183.96306	0.9
189.12718	1.6
191.10802	1.0
207.13882	19.8
209.11794	22.6
210.12308	0.9
225.14926	11.0
251.12888	7.9
269.04529	10.7
269.13928	99.0
269.20938	5.4
269.24866	3.4
270.14212	4.8
288.03513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0665
Annotation	phenyl glucuronide
Peak:m/z	Relative Intensity
64.45856	0.3
70.23566	0.3
71.01390	0.6
71.53576	0.4
72.60245	0.3
73.02930	0.7
89.02440	1.1
93.03456	40.0
94.03796	0.5
96.96023	0.5
108.02190	0.4
109.03003	0.4
121.02943	1.9
126.17489	0.3
126.33620	0.3
137.02440	100.0
138.02760	2.8
149.04549	3.3
190.94305	0.4
193.06279	0.3
220.68893	0.4
269.04376	0.8
269.06812	1.0
269.10150	0.5
269.21234	0.8
269.24872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2328
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
59.01371	1.0
65.66334	0.6
86.74741	0.6
86.75908	0.6
98.95592	2.7
101.05185	0.7
107.01418	0.7
123.86366	0.6
142.95557	0.6
162.13875	0.5
267.23285	100.0
268.23639	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	268.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	6.1
61.98822	1.5
70.02972	3.2
71.44843	0.5
74.89748	0.4
76.75079	0.5
82.02982	9.5
82.25068	0.5
82.79148	0.5
83.05010	0.7
90.06752	0.5
98.02479	9.4
114.05600	1.6
114.47243	0.4
134.89445	0.6
170.42699	0.5
179.14323	1.2
196.17029	6.0
196.27211	0.5
197.17462	0.5
208.17033	2.8
210.18622	19.2
211.18932	1.2
218.21420	0.5
234.18614	1.2
250.21762	4.5
251.20052	0.6
252.19670	10.0
253.20020	1.0
268.22809	100.0
269.04529	1.9
269.21072	2.8
269.23468	5.6
269.42926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0455
Annotation	Apigenin
Peak:m/z	Relative Intensity
57.44294	0.2
59.01372	0.3
63.02401	1.5
65.00320	3.1
69.24108	0.5
69.24517	1.6
73.02932	0.3
77.11804	0.2
81.03456	0.3
83.01402	1.5
83.56779	0.2
88.37968	0.2
89.84854	0.2
92.44291	0.2
93.03423	0.3
105.03457	0.8
107.01389	5.8
117.03458	21.4
118.03795	0.5
121.02973	1.4
139.03937	0.2
145.60498	0.2
149.02435	8.7
150.02748	0.3
151.00368	9.8
152.00722	0.3
157.06606	0.4
159.04538	1.9
169.01430	0.2
169.06610	0.5
180.05740	0.3
181.06570	1.6
182.03651	0.2
183.04424	1.2
185.02371	0.5
196.05301	0.3
197.06038	0.6
199.03897	0.2
201.05530	1.9
211.21867	0.2
222.36012	0.2
224.04736	0.6
225.05547	3.7
225.14928	1.2
227.03479	2.1
241.04967	0.3
269.04535	100.0
269.21191	0.7
269.24738	0.3
270.04880	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	267.1238
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
56.04736	0.3
56.90168	0.4
57.03448	2.6
59.01380	100.0
59.48234	0.3
60.01720	1.0
67.62834	0.3
67.85673	0.3
71.05017	2.2
71.54433	0.4
82.52333	0.3
83.05027	1.3
85.02941	0.3
87.00874	2.9
93.50069	0.3
96.96030	0.7
100.11320	0.3
103.77348	0.3
120.05866	0.4
147.24274	0.3
150.77872	0.3
161.09731	1.3
161.13333	3.3
163.11317	1.9
187.11307	0.8
205.12294	0.9
207.10295	2.5
223.13388	54.1
224.13789	2.6
225.18810	0.4
267.09210	1.0
267.12369	6.2
267.15463	0.5
267.16061	0.3
289.89767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1602
Annotation	Kobusimin B
Peak:m/z	Relative Intensity
55.01882	1.7
59.01379	7.9
61.98832	3.2
69.76496	6.9
71.01357	1.2
77.12635	1.1
97.02943	2.2
99.04520	100.0
100.04884	2.0
121.02961	2.1
139.29805	1.2
144.85805	1.3
167.10770	6.5
172.35492	1.1
185.11829	64.2
186.12122	2.5
193.15959	1.4
223.17032	4.7
245.82318	1.1
267.16010	51.9
268.16101	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	267.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.6
55.60847	1.2
59.01381	100.0
59.85382	1.0
61.98832	44.5
70.90268	1.2
71.01383	29.1
71.52814	1.6
73.02949	7.6
82.98959	1.2
83.01402	2.9
85.02947	10.6
87.00887	3.4
89.02448	11.4
95.01357	1.9
99.00866	2.8
101.02448	23.7
104.68268	1.2
105.04496	1.4
105.05583	4.1
108.02082	1.5
113.02467	11.4
119.03505	4.9
130.08752	2.3
131.49207	1.2
134.04727	2.3
135.03142	21.7
143.03470	1.6
152.94582	1.2
161.04575	12.6
179.64432	1.3
207.08720	3.3
257.21320	1.4
267.03357	1.5
267.04858	1.3
267.07352	8.5
267.10852	12.7
269.12698	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	267.1237
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
53.07847	0.6
57.03444	1.7
59.01380	100.0
59.99490	0.5
60.01729	0.8
60.99327	0.6
66.94102	0.6
67.32555	0.5
68.54817	0.6
71.05022	3.7
71.38950	0.7
77.54294	0.5
79.95756	1.6
87.00890	2.0
96.81425	0.5
107.05025	0.7
114.42470	0.5
122.33688	0.7
127.41828	0.6
160.70511	0.5
161.09740	0.9
161.13348	3.4
163.11320	1.4
167.13976	0.6
172.15216	0.6
207.10289	2.6
221.63495	0.5
223.13387	54.4
224.13760	2.5
236.09593	0.8
267.12390	6.8
268.06808	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90989	0.3
59.01392	0.7
68.99824	1.6
71.01385	0.7
71.54302	0.2
73.02985	0.4
75.00830	0.2
76.26773	0.2
79.95721	0.4
81.03490	0.3
83.01388	1.5
85.02961	0.8
93.03452	0.7
95.01374	0.3
95.05030	0.3
97.02950	1.5
101.02473	0.4
107.01413	0.5
107.05032	1.1
109.02956	1.0
111.04485	0.3
119.05022	1.3
121.02942	0.8
123.04534	1.1
125.02451	0.5
133.02950	0.7
134.03748	1.4
135.04529	100.0
136.03995	0.4
136.04860	3.1
137.00711	0.7
137.02481	2.1
139.04036	0.6
148.05290	0.4
151.04005	1.4
151.48199	0.3
153.01982	0.3
155.03571	0.3
158.44905	0.3
160.04059	0.9
161.02470	2.1
161.06012	0.6
163.04022	0.7
165.01947	0.5
167.03513	0.4
172.08115	0.3
178.05087	1.0
179.03517	1.7
180.04269	1.2
180.06664	1.5
183.03078	0.4
185.02771	0.3
188.07198	0.5
193.01482	1.7
195.02968	2.4
197.04555	0.3
205.01389	0.4
207.03000	1.5
208.03786	0.9
208.40985	0.3
209.03009	0.7
221.04625	0.5
225.04124	0.3
236.09367	0.4
237.04037	0.3
249.03996	0.7
265.03632	0.7
266.10324	38.0
267.05093	22.9
267.08484	0.5
267.10788	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	266.2124
Annotation	Allopumiliotoxin 267A
Peak:m/z	Relative Intensity
56.00804	1.0
57.03445	7.3
59.01375	3.5
61.98818	3.7
67.01911	1.9
70.02966	2.3
71.45963	1.1
71.54290	1.3
72.04541	2.8
76.74989	1.0
80.94611	1.1
82.02975	3.2
83.05014	1.2
84.04546	8.2
96.04550	2.2
98.02484	6.2
98.06123	20.4
98.20477	1.3
110.06124	1.9
114.05602	7.7
120.51528	1.0
135.65974	1.2
138.01888	1.0
138.09190	2.5
140.07191	2.0
147.24004	1.0
156.10298	24.9
157.10548	1.1
170.77589	1.1
179.14485	1.4
194.15463	2.8
206.15614	1.1
206.41443	1.5
208.17017	4.4
248.20168	1.2
250.18117	7.8
265.99359	1.2
266.21234	100.0
267.19501	3.8
267.21973	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	265.2172
Annotation	Hydroprene
Peak:m/z	Relative Intensity
59.01379	0.8
61.98843	0.4
63.05641	0.3
70.86562	0.7
71.01386	0.4
84.46965	0.3
96.96014	17.5
107.48662	0.4
170.77864	0.3
247.20668	0.5
265.14835	14.5
265.21707	100.0
266.15125	0.8
266.22037	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	266.0892
Annotation	Adenosine
Peak:m/z	Relative Intensity
59.01369	0.9
60.32915	0.1
61.98820	0.2
65.01438	0.1
71.01379	0.3
71.44953	0.2
82.02954	0.1
87.00865	0.1
88.04042	0.3
89.02449	0.3
92.02538	1.4
97.08848	0.1
101.02435	0.1
105.01919	0.1
107.03634	4.8
108.02032	0.7
111.15797	0.1
113.02478	0.2
114.05643	0.1
128.07220	0.1
132.03032	0.3
134.04724	100.0
135.05162	1.6
151.02609	7.3
151.03868	0.2
177.04170	0.3
230.08571	0.1
265.93265	0.3
266.08942	6.6
267.07257	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1807
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
56.28127	0.7
59.01379	8.8
60.56119	0.7
61.98798	0.9
69.03455	2.0
71.01385	0.9
72.99343	0.9
96.96004	5.1
109.64677	0.8
114.51257	0.9
135.04521	0.8
144.32390	0.8
149.09734	2.1
149.13387	1.1
151.11276	2.1
167.10765	36.4
168.11180	1.2
177.09143	1.8
186.89938	0.8
195.10240	9.6
203.18040	3.9
223.74127	0.8
228.10143	1.9
237.18617	1.2
247.16997	12.1
248.17488	1.2
265.15018	4.3
265.18057	100.0
266.18423	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	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
58.00589	3.7
59.01379	100.0
61.77224	1.0
69.91656	3.5
69.92039	2.0
71.01381	53.1
72.99312	3.7
73.02949	2.2
83.01386	1.5
85.02948	49.3
87.00875	2.6
87.72805	0.9
89.02444	74.3
90.02788	1.2
95.01378	3.8
96.37076	0.9
96.94140	1.1
101.02446	29.9
103.04030	1.8
113.02454	28.2
119.03503	30.5
131.03477	2.2
132.47319	1.1
135.04567	1.2
143.03514	5.4
144.68810	1.0
149.04543	2.0
161.04535	3.8
165.06781	1.1
179.05597	11.0
241.06175	0.9
265.09302	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	265.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67250	0.3
58.72758	0.4
63.29493	0.3
71.22467	0.5
77.07098	0.3
79.75788	0.3
79.95713	1.8
95.95247	0.8
96.96008	100.0
97.95905	0.4
99.74004	0.3
172.17419	0.4
186.28987	0.3
223.04654	0.3
265.14764	90.3
266.15112	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	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47400	0.8
57.03448	2.3
58.00602	3.1
59.01381	100.0
59.28197	0.8
68.56320	0.9
69.87706	3.5
69.88093	1.4
71.01385	51.3
71.05058	0.8
71.13042	0.7
72.99317	2.4
73.02966	2.0
75.00901	1.7
81.03490	1.3
83.01408	1.8
84.38541	0.8
85.02953	42.2
87.00889	3.2
89.02448	55.1
95.01402	3.5
99.04531	1.6
101.02442	26.6
103.04012	15.1
103.11353	0.9
104.87998	0.7
113.02453	18.8
117.03793	1.0
117.05565	1.2
119.03507	25.2
119.04350	1.6
126.10506	0.7
131.03531	3.1
135.04854	1.2
143.03526	3.7
149.04561	1.5
161.04591	4.3
173.84976	0.7
179.05603	7.7
197.14690	0.8
221.06721	2.7
237.28741	0.7
249.31346	0.7
265.09305	54.6
266.09564	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	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	3.0
59.01377	100.0
70.95606	2.0
71.01381	53.0
72.99300	3.3
73.02956	2.0
81.96535	0.9
83.01388	1.6
85.02950	52.6
87.00880	3.4
89.02445	71.4
95.01382	5.3
96.51778	0.8
101.02440	29.6
103.03992	1.1
113.02453	22.6
119.03490	30.2
131.03502	2.0
133.44339	0.9
143.03477	4.3
149.04553	2.8
161.04593	3.5
179.05606	8.0
213.94072	0.9
265.09268	13.7
286.13519	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03456	4.0
58.00596	3.1
59.01381	96.1
60.01719	0.7
70.42405	0.6
71.01383	40.4
72.99313	5.1
73.02947	3.6
75.00882	4.2
81.03471	2.3
83.01395	2.5
85.02953	35.9
87.00892	3.6
89.02449	42.4
90.02789	0.7
95.01381	2.5
95.02502	1.4
99.00887	1.1
99.04504	3.5
101.02445	23.4
101.36537	0.7
103.04018	31.4
104.04341	0.8
111.00892	1.6
113.02448	15.6
117.05613	1.0
119.03503	18.9
125.02433	1.3
128.26363	0.7
131.03522	1.3
132.03065	1.1
133.02940	0.8
135.04489	1.7
143.03493	4.9
145.05086	1.5
149.04565	0.9
161.04607	5.0
165.06709	1.3
166.17076	0.6
179.05602	6.3
221.06712	5.6
241.02257	0.9
265.09296	100.0
266.09650	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0716
Annotation	Luisol B
Peak:m/z	Relative Intensity
53.86657	0.6
59.01369	2.0
61.14885	0.5
61.79504	0.4
64.95215	0.6
66.13556	0.6
66.17823	0.5
67.01884	0.5
71.01382	1.3
75.71019	0.6
78.75105	0.5
91.01891	3.4
93.03461	1.2
97.02436	0.5
97.02953	3.5
99.55390	0.6
108.02165	1.0
117.03449	1.0
119.01392	31.7
119.05045	2.8
120.01760	0.9
121.02955	25.9
122.03375	0.6
131.04987	1.6
132.05823	1.1
133.02956	3.0
133.06598	12.7
134.06816	0.6
135.04498	1.0
137.02448	32.4
138.02747	1.0
143.05025	11.7
145.02957	4.5
146.03697	0.7
147.04533	6.0
149.02441	14.9
159.04503	1.0
160.01730	0.7
161.02431	0.7
161.06076	10.0
162.06450	0.6
173.02380	0.9
173.06055	1.4
175.03999	5.0
177.01889	1.2
193.01390	4.3
193.05084	3.4
217.05136	0.9
265.07159	100.0
266.07513	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	264.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	12.3
58.02976	3.3
59.01374	2.1
61.98833	2.0
67.01884	1.6
70.02979	3.3
70.65266	1.5
72.04549	9.3
74.21631	0.6
74.64020	0.6
78.84292	0.6
82.02989	3.0
83.04978	0.7
84.04546	8.2
96.04556	1.4
96.96027	1.8
98.02476	5.8
98.06117	24.2
98.28009	0.7
99.06493	0.7
102.20586	0.7
110.06119	0.8
112.07685	5.3
114.05608	29.5
115.05962	1.2
130.08739	19.2
135.04669	0.7
138.09215	2.5
140.07191	6.7
147.11826	1.2
148.38846	0.6
149.13367	7.1
156.10297	100.0
157.10623	3.0
168.10278	1.1
172.95969	0.6
177.12906	0.9
201.89270	1.1
206.15501	1.3
212.86249	0.7
218.63725	0.7
248.16554	2.1
264.19687	23.5
265.04822	5.0
265.14825	1.5
265.17804	1.5
265.20255	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41635	0.9
58.00589	1.0
59.01378	100.0
62.36782	1.0
69.44803	1.0
69.62524	5.5
71.01378	27.9
71.05028	2.4
72.99303	4.3
73.01192	1.1
73.02950	7.5
74.99123	1.5
75.00864	7.0
81.03449	9.5
83.01382	1.2
84.02194	1.6
85.02944	19.8
87.00888	5.7
88.04041	3.7
89.01931	1.9
89.02447	26.6
89.02999	1.5
93.03462	1.7
95.01366	2.5
99.00872	2.0
99.04517	14.0
101.02443	14.0
102.05580	1.1
109.02943	1.2
111.00877	5.0
113.02447	10.0
115.00362	5.6
116.07172	1.3
119.03483	9.4
120.99700	1.1
130.74263	0.9
131.03476	1.4
132.03035	3.9
133.03017	1.4
135.04700	1.6
137.02396	1.7
143.03474	6.3
145.05118	1.3
146.04604	2.1
158.08195	1.4
161.02460	2.2
161.04543	11.2
168.88907	0.9
177.01955	1.6
179.03880	2.1
179.05592	12.5
191.02002	2.7
198.68085	1.3
202.99832	5.5
209.02956	1.0
221.00896	2.0
221.06638	12.7
264.99811	2.0
265.05649	2.4
265.09451	6.6
266.06668	3.4
270.18115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	0.6
63.51195	0.4
65.12498	0.4
70.14373	1.6
74.02496	0.4
75.99602	0.4
82.02999	0.5
84.04561	0.6
85.02942	0.6
91.05521	2.7
101.02457	0.4
102.05614	60.3
103.05953	0.8
125.45204	0.4
128.03545	52.4
129.03897	1.1
135.04543	3.0
146.04599	100.0
147.04974	1.7
220.09833	1.1
246.07748	1.6
264.08765	20.1
265.09082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17150	0.7
53.47187	0.7
53.92986	0.8
57.03196	1.1
57.03453	14.6
58.02986	3.9
59.01369	3.3
61.98823	2.0
67.01883	1.4
69.58970	3.7
69.59378	1.0
70.03002	3.5
72.04553	8.3
82.02980	2.5
84.04559	7.1
91.27209	0.7
91.43240	0.8
96.04566	2.1
96.96008	1.2
98.02487	5.6
98.06120	26.9
98.20644	1.0
112.07693	4.1
114.05608	28.2
114.55024	0.9
116.92886	0.9
130.08743	17.8
138.09250	1.8
140.07181	6.2
147.11842	1.1
149.13330	8.3
156.10303	100.0
157.10657	2.8
171.91049	1.1
175.70793	0.7
177.12863	0.9
181.24469	0.7
184.39017	0.7
206.15616	0.8
248.16534	1.8
264.19675	22.6
265.04785	6.9
265.07108	0.9
265.14706	1.9
265.18091	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	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
54.08634	0.4
59.01376	3.3
59.64941	0.5
65.00330	0.6
70.31445	0.5
71.01374	0.8
71.69134	0.4
77.30290	0.5
79.63153	0.4
97.91951	0.4
98.19907	1.3
101.06087	1.0
107.36090	0.5
110.42815	0.5
113.02384	0.4
120.19358	0.4
121.02997	0.5
133.02936	1.5
219.03110	0.5
219.21010	0.6
226.59061	0.5
229.09169	0.6
245.00819	0.6
245.19035	0.5
261.18616	0.4
263.01913	0.8
263.20126	100.0
264.20462	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	264.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50139	0.4
59.01369	1.1
59.26574	0.4
96.00912	15.8
97.01689	9.0
110.32270	0.4
114.36330	0.4
130.04262	0.6
134.06142	0.5
143.05028	0.5
145.06595	6.1
158.06079	1.5
165.08357	0.5
188.07156	100.0
189.07489	4.5
211.05299	0.5
265.07263	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57485	0.9
59.01373	3.6
70.02979	20.6
70.89225	0.8
71.01386	4.6
71.55543	1.4
72.00920	1.2
91.05566	5.3
93.03528	0.8
96.99326	4.9
111.14774	0.8
111.52429	0.7
112.00400	0.9
114.01968	100.0
117.03452	7.6
129.01944	2.6
133.02933	1.3
134.06113	23.3
135.04530	1.5
144.08206	1.2
146.04568	4.4
146.06070	1.1
148.24977	0.8
156.10374	0.9
160.07646	3.1
169.64336	0.8
188.07191	4.7
232.06136	13.7
265.07257	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
59.01383	100.0
59.34554	0.6
69.43861	3.7
71.01382	6.5
73.02949	1.7
79.07317	0.6
80.02672	0.5
83.01411	1.4
85.02953	4.3
89.02452	1.0
98.20638	1.6
99.00891	1.4
101.02441	7.5
113.02492	3.2
115.32021	0.7
119.03492	0.6
125.50852	0.7
142.77235	0.7
161.04633	3.4
172.26776	0.6
221.10316	13.9
241.66925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
58.69282	0.6
59.01380	100.0
60.01708	1.0
65.32464	0.6
69.52025	3.3
71.01390	6.9
72.93158	0.5
73.02949	3.1
81.25092	0.5
83.01408	1.5
84.08744	0.5
85.02956	4.3
89.02494	0.9
95.01408	0.7
95.13714	0.6
99.00908	1.9
101.02447	7.8
113.02450	2.6
155.13774	0.5
161.04550	2.8
191.03609	0.6
221.10284	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	263.1288
Annotation	ABSCISIC ACID
Peak:m/z	Relative Intensity
51.32381	1.7
55.24329	1.7
57.03432	3.7
57.21738	1.5
59.01382	17.1
69.82186	3.9
69.82590	6.8
71.01357	5.9
77.66670	1.5
77.87484	1.6
83.05027	2.8
95.05029	2.6
97.02957	12.0
105.07084	2.9
105.87950	1.9
107.05017	2.6
108.05795	8.3
109.02929	7.6
109.06580	2.9
111.04528	14.8
113.06091	10.2
119.08655	5.5
119.73384	1.7
121.06562	3.8
122.03741	15.1
123.08144	7.6
124.01581	2.2
125.05235	2.3
125.06084	24.0
135.08183	2.7
136.05295	14.2
137.06038	6.3
138.06860	21.7
139.07648	38.9
148.05319	9.9
149.06039	4.3
151.07640	80.4
152.04794	12.4
152.08440	46.0
153.09198	12.6
159.11795	4.4
161.09705	10.4
163.07646	14.9
167.07108	5.7
171.08083	2.1
175.07600	1.7
185.09630	5.1
188.08276	2.0
189.09160	6.6
201.12828	33.6
203.10765	26.3
204.11543	74.1
205.11868	3.5
219.13881	100.0
220.14247	4.2
263.12802	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	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94324	0.4
59.01379	100.0
60.01709	0.8
69.42854	3.4
71.01402	0.6
73.02937	1.1
82.82547	0.5
87.00912	0.5
96.00935	1.8
97.01710	0.9
98.20805	0.5
101.02460	0.8
113.02502	0.7
133.06685	0.5
139.49770	0.4
144.34932	0.5
145.06584	0.9
175.03957	0.6
188.07162	15.0
197.57990	0.5
219.06816	0.8
219.10338	0.6
263.02142	0.5
263.05527	0.6
263.12988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17752	0.5
58.99594	3.4
59.01378	23.0
69.25481	4.8
87.00868	4.3
87.02732	2.2
110.42433	0.7
115.05831	0.7
131.05353	1.5
133.06929	100.0
134.07286	2.5
203.07451	7.4
221.08502	16.6
225.80258	0.6
263.09579	3.8
263.12006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1135
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
56.10273	0.1
59.01380	1.9
67.58620	0.1
71.01379	1.5
72.99342	0.1
73.02943	0.4
80.60053	0.1
85.02966	0.5
87.00884	0.1
89.02467	0.2
96.27717	0.1
99.00858	0.2
101.02452	0.6
101.06080	100.0
102.06412	1.8
105.42191	0.1
113.02436	0.7
115.05139	0.1
115.07642	1.5
143.07097	0.2
155.07147	0.2
159.02948	0.2
161.04597	0.6
173.08182	0.2
246.07561	0.1
263.05719	0.1
263.11398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
71.01402	0.8
73.02959	1.1
75.08167	0.6
75.68112	0.6
97.02945	0.7
102.22627	0.7
108.02209	1.0
120.99664	0.8
121.03024	1.0
122.03738	0.9
125.06203	0.9
134.03767	1.4
137.06068	0.8
138.06879	0.8
139.07701	1.6
144.11374	0.6
151.07674	3.0
152.04747	0.7
152.08438	1.1
153.09187	0.8
161.09607	0.7
201.12816	1.1
203.10849	0.7
204.11610	2.2
219.13876	4.1
229.01637	0.8
245.00917	0.7
263.12845	0.8
263.16595	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01710	0.9
61.89785	0.4
64.90256	0.4
70.51426	1.3
71.01405	0.6
73.02967	1.5
83.01402	0.5
101.02483	0.5
125.99622	0.5
128.03587	0.5
134.07280	0.9
135.06573	0.5
149.02498	0.7
175.04015	0.5
181.59924	0.4
191.03642	0.6
203.11937	0.5
263.02179	0.7
263.05798	0.7
263.14069	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28485	0.4
57.66325	0.4
59.01379	100.0
60.01721	0.7
64.66042	0.3
68.98596	0.3
71.55141	0.6
73.02938	0.7
85.02967	0.4
96.56207	0.4
101.02480	0.4
101.06123	0.8
116.58138	0.4
180.65533	0.5
195.22116	0.4
200.68672	0.4
263.12897	0.5
270.80557	0.4
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
59.01378	100.0
60.01721	1.3
60.12709	0.4
69.95995	0.3
70.02994	1.3
71.01383	0.8
71.22409	0.4
73.02938	0.8
83.01405	0.5
85.53548	0.4
91.05555	0.7
93.03462	0.4
96.99315	0.5
101.02469	0.8
101.06127	0.4
102.25445	0.4
102.70219	0.4
113.02454	0.9
114.01970	7.3
117.03476	0.7
121.16708	0.4
125.02467	0.8
133.06966	1.8
134.06093	1.8
135.04486	0.4
137.02455	0.9
143.03532	0.4
146.06061	0.4
164.07210	0.4
191.14963	0.4
204.11522	0.7
219.06564	0.4
219.13995	0.8
224.48488	0.4
229.37257	0.4
230.90041	0.4
232.06110	0.8
263.05780	1.1
263.12848	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01712	0.7
63.65171	0.3
69.40471	3.0
71.01401	0.4
73.02956	0.9
83.77747	0.4
98.20642	0.4
101.02454	0.8
148.29405	0.3
148.82095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46075	0.7
54.09527	0.6
56.46143	0.7
58.99605	1.7
59.01381	100.0
60.01715	0.9
67.95280	0.6
73.02972	1.2
86.87563	0.6
87.00888	3.0
87.02758	1.7
92.76455	0.7
93.03533	0.7
98.20706	1.1
98.95567	0.8
125.02455	3.5
131.05377	1.4
133.06935	76.7
134.07301	1.8
137.02505	2.7
151.60600	0.8
159.04491	0.7
166.35049	0.7
203.07455	5.6
221.08530	13.5
263.01886	1.0
263.09839	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	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01712	1.0
69.54611	2.4
71.01382	1.5
73.02940	1.2
101.02453	0.7
101.06081	4.4
115.07650	2.8
123.52143	0.3
133.02960	1.1
149.02426	1.1
246.07803	1.4
264.59991	0.4
264.71805	0.5
271.41623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50402	0.9
55.73959	1.0
56.61245	1.1
56.62132	1.3
59.01381	100.0
64.91206	1.1
67.46232	1.1
69.58418	6.2
70.02985	6.9
71.01368	1.5
71.18974	1.0
72.00911	1.1
75.24290	1.0
84.91293	1.1
86.97809	1.1
91.05541	3.0
96.99289	3.3
100.33673	0.9
114.01965	39.1
117.03446	2.4
134.06119	7.8
140.36514	1.3
146.04622	2.4
146.06111	1.1
160.07632	1.7
188.07130	1.4
219.13914	2.5
232.06166	5.7
263.09348	1.9
263.12842	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23459	0.5
59.01378	100.0
60.01675	0.5
69.19291	0.4
69.98314	0.5
70.73152	1.4
71.01402	1.1
73.02946	1.0
82.35938	0.5
93.03497	0.7
101.02436	0.6
101.06099	1.4
133.02954	1.7
178.36653	0.6
183.04579	1.6
191.05632	1.3
219.14044	0.8
263.12958	2.5
263.16406	0.7
272.62238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09681	0.3
58.80439	0.3
59.01379	100.0
60.01710	0.7
69.22668	2.7
71.01379	0.6
73.02943	0.8
83.01428	0.4
101.02451	0.6
113.02411	0.4
132.28592	0.3
135.31487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45514	0.4
59.01382	100.0
60.01715	0.9
61.70488	0.4
69.71768	2.5
71.01390	0.6
73.02972	0.8
97.61173	0.4
98.20769	0.4
101.02463	0.7
102.68861	0.4
146.89925	0.5
175.04062	2.0
219.03047	0.7
263.04517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1812
Annotation	Flabelliformine
Peak:m/z	Relative Intensity
53.14261	1.0
54.66193	0.9
54.92467	1.0
57.03446	5.8
59.01361	2.0
65.03965	2.5
66.03500	1.7
70.02973	1.6
70.83917	2.1
72.04546	2.3
77.70493	1.0
81.22525	1.0
84.04545	3.0
94.02969	1.9
94.06596	1.1
96.04577	2.3
98.02478	1.3
98.06110	4.3
105.21452	1.2
107.03802	2.4
107.08643	1.5
108.04572	3.6
112.07686	1.2
114.05607	10.7
120.04514	1.3
122.06136	4.9
130.08728	5.6
134.98387	1.0
140.07166	2.0
145.10196	1.4
147.11798	100.0
148.12109	3.5
149.13358	4.6
154.08765	4.2
156.10304	24.8
157.10582	1.5
159.11800	9.2
161.13367	3.5
174.12799	1.7
175.11220	1.7
176.14441	16.4
177.62350	1.0
180.10315	3.8
184.14999	1.0
190.12318	7.5
199.99173	1.1
204.13939	15.6
239.54312	1.0
262.18112	74.7
263.18427	4.9
267.81747	1.2
268.61615	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	10.1
58.02980	3.9
59.01365	0.7
65.03969	1.9
67.01894	1.3
70.02979	2.3
70.28446	1.2
70.28830	2.2
72.04543	4.8
79.05536	2.1
82.02988	4.1
84.04544	9.6
91.37547	0.6
96.04567	5.2
98.02481	4.9
98.06126	6.8
105.34927	0.8
107.08666	5.3
112.07684	1.5
114.05617	14.5
119.08613	0.9
124.04030	1.1
126.05598	2.5
130.08740	7.8
131.08731	0.7
138.09274	1.3
140.07170	3.5
147.11809	52.7
148.12093	1.9
155.09564	1.0
156.10303	100.0
157.10628	2.6
180.10292	0.7
190.12401	2.0
204.13933	1.9
244.17056	1.4
246.14990	4.1
262.18134	39.6
263.18408	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	262.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79030	1.4
58.23640	1.2
59.01376	7.4
61.98806	1.6
69.40829	5.0
69.41262	4.7
79.35410	1.3
87.04492	1.9
91.05524	1.9
98.20651	2.4
98.52155	1.3
99.87365	1.5
101.06066	2.3
114.04845	2.6
114.05608	37.7
136.83348	1.3
190.12430	2.1
218.11845	100.0
219.12155	4.2
262.10846	3.5
263.07504	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	262.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95749	0.6
57.03447	14.6
57.29864	0.6
58.02969	2.8
65.03964	0.7
67.01897	1.8
70.02972	2.5
71.43973	1.2
72.04536	8.6
82.02992	1.4
83.57438	0.7
84.04550	7.8
93.07098	1.0
94.02982	0.9
96.04558	1.5
98.02477	5.4
98.06118	14.2
101.79183	0.8
107.08665	2.7
112.07690	4.8
114.05604	25.7
119.08665	1.5
130.08731	20.2
134.75763	0.8
138.09216	3.0
140.07158	3.8
147.11798	30.2
148.07687	0.9
148.12131	1.1
153.10352	0.6
156.10292	100.0
157.10684	3.2
165.54071	0.7
204.13878	0.8
246.14885	1.0
247.40083	0.7
262.18097	12.9
264.18143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78765	0.7
57.03450	14.2
57.41450	0.7
58.02966	3.2
67.01889	1.2
67.50248	0.8
69.79793	4.7
70.02973	3.2
72.04555	8.3
82.02947	1.3
84.04549	8.6
93.07111	1.9
94.02975	1.2
96.04533	1.8
98.02471	3.0
98.06124	14.0
98.20017	1.0
107.08644	3.2
108.47014	0.9
110.09731	0.8
112.07693	7.2
112.61484	0.9
114.05611	28.0
114.06414	1.5
119.08659	1.4
123.63579	0.8
130.08743	23.5
138.09216	1.7
140.07167	4.1
147.11809	18.2
156.10300	100.0
157.10629	2.9
229.63077	0.9
246.15097	0.8
262.18115	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	261.1343
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
50.77053	0.4
56.19244	0.4
57.03451	5.9
58.00595	1.5
59.01382	3.1
69.61921	2.7
71.01374	2.5
71.05012	2.1
73.02948	8.2
73.18229	0.5
81.03442	0.5
85.02956	2.9
85.37261	0.4
87.04514	16.4
90.21954	0.5
93.07107	1.2
95.05022	1.9
97.06584	0.8
98.19838	0.5
99.04516	1.2
99.07067	0.4
105.07088	1.3
107.05029	1.1
109.06593	22.8
110.06955	0.8
111.04500	1.8
111.08143	2.0
113.06078	1.0
121.06592	1.1
123.08174	5.2
127.07668	4.0
128.03564	0.6
131.01703	0.7
132.04587	0.6
139.07640	1.0
141.09244	1.2
145.10231	1.2
150.06836	0.7
155.07182	0.5
157.08739	1.2
163.11349	0.9
169.08791	0.5
179.10735	3.8
181.12286	1.0
202.08258	0.8
213.06642	1.7
215.12852	6.6
217.14392	1.0
219.12375	2.7
225.11385	1.4
243.12404	2.0
259.11783	0.6
261.13416	100.0
262.13742	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	261.1343
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
54.18095	0.5
57.58533	0.5
59.01378	41.0
64.75375	0.5
69.44895	2.8
69.45296	1.1
73.02945	69.5
74.02466	1.5
74.03266	0.8
76.25443	0.5
93.96819	0.5
98.19931	1.1
109.97304	0.5
125.09675	2.5
127.07581	0.7
131.05002	0.7
133.02972	0.7
133.06938	4.0
139.32269	0.5
144.82321	0.6
167.79428	0.6
169.08698	1.6
171.55754	0.6
173.05962	0.6
177.56226	0.5
181.12357	1.9
186.10641	0.6
187.09747	36.9
188.10004	0.9
199.13376	9.4
201.11308	32.9
202.11607	1.3
215.03477	1.5
217.05040	2.0
225.11378	0.8
238.21519	0.5
243.12344	12.3
243.14677	1.0
261.04080	2.9
261.13412	100.0
262.13672	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	261.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69680	0.5
57.03444	4.6
59.01379	42.6
69.03447	1.1
69.61473	3.2
70.02981	1.3
71.05022	0.9
72.04591	0.5
73.02953	2.0
74.02467	12.1
74.02856	0.8
87.04527	1.1
87.87560	0.5
95.08686	0.6
97.06579	1.4
98.02462	2.5
99.08169	1.0
104.35561	0.5
104.78497	0.5
109.06614	1.4
111.08160	2.8
111.73668	0.5
116.03538	8.1
125.09753	1.6
127.07652	0.7
128.03551	1.1
129.09227	12.3
131.03789	1.4
131.05365	2.6
132.04559	4.8
137.09760	0.5
141.09236	0.6
143.10748	3.4
144.04529	1.0
153.09229	1.3
155.10791	2.6
157.07613	0.6
157.12361	5.3
158.06117	1.1
162.71495	0.6
173.11876	1.2
201.06592	1.5
201.11314	17.8
202.11685	0.8
209.33427	0.6
219.12363	100.0
220.12610	3.3
261.09030	6.0
261.13400	17.3
262.13727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0879
Annotation	BBM 2040B
Peak:m/z	Relative Intensity
57.03431	0.8
59.01383	1.6
65.47889	0.3
71.01389	0.5
71.53333	0.5
72.99299	0.4
73.02941	1.0
73.92068	0.3
85.02975	0.5
87.00855	0.4
87.02753	0.5
87.04518	1.9
93.03485	0.4
95.05019	0.3
96.96024	0.6
99.00893	0.3
102.98600	0.5
103.03192	0.3
105.07053	0.3
109.06609	2.0
123.08177	0.5
128.03554	0.9
131.01717	1.4
131.03761	0.5
132.03049	0.3
132.04555	1.1
144.04562	0.7
146.02452	0.3
147.03267	1.0
157.07700	5.1
158.06183	0.4
159.03252	0.6
160.04025	2.4
167.06140	0.5
172.04041	0.8
173.04837	0.6
174.05548	0.6
179.10777	0.4
184.77200	0.3
185.03584	0.8
185.07184	6.0
186.05589	2.6
187.05023	0.4
195.05614	1.0
196.06387	1.5
198.04356	0.6
199.05099	0.9
200.05692	0.4
201.06677	1.2
201.11288	0.8
203.04581	1.0
203.08321	0.3
211.05095	1.3
212.05896	11.4
213.06683	100.0
214.07030	4.6
215.12691	0.5
219.12314	2.2
231.07712	2.9
231.66611	0.3
233.46832	0.3
252.72745	0.3
261.08786	72.5
261.13007	10.0
262.09116	4.3
262.13678	0.5
276.31946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.9
58.02969	2.0
59.01379	35.2
69.03455	1.2
71.05008	1.2
73.02943	1.0
74.02473	4.6
83.05019	1.0
84.04559	1.8
85.02940	1.4
85.06602	0.9
87.04520	9.5
92.05068	0.9
95.05049	1.2
97.06575	3.2
98.02481	2.0
99.04533	0.8
101.06081	2.5
107.08660	0.7
113.06078	1.0
115.07624	1.4
116.03518	2.9
125.09740	2.8
128.03519	4.3
129.09216	1.6
130.06621	0.8
131.03780	5.7
132.04558	8.0
137.09766	0.7
144.04529	1.3
146.06026	0.8
153.09187	1.5
155.10806	2.7
157.07719	3.0
157.12332	3.5
158.06091	2.8
173.11821	11.6
175.08766	2.4
183.38576	0.6
198.41447	0.8
201.06612	1.0
201.11320	20.2
202.11736	0.7
219.08061	3.1
219.12364	100.0
220.12704	4.5
261.08844	13.8
261.13370	15.3
262.13916	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1654
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
57.03453	0.6
58.02969	0.6
59.01417	0.6
61.98808	0.8
71.52775	0.5
78.65215	0.4
79.26498	0.4
82.02503	0.4
82.02982	11.2
84.04546	100.0
85.04881	1.6
99.92583	2.1
104.18197	0.4
115.92066	1.1
116.92850	2.1
121.29469	0.5
124.36274	0.5
137.40771	0.5
175.11205	0.9
188.96707	0.5
197.90225	1.0
213.06657	0.6
214.93132	0.5
221.84181	1.1
223.83887	0.6
228.91533	0.5
238.45915	0.4
259.93652	3.6
260.16547	33.6
261.16800	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	260.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	10.1
61.98817	3.3
62.52795	2.2
65.20130	2.0
66.03493	11.4
67.01887	10.4
68.01418	3.1
70.00733	4.4
70.01128	5.7
72.39089	2.5
79.05514	2.6
80.02685	3.8
81.92472	2.9
82.02966	3.6
84.04553	44.1
85.02950	54.6
93.07119	4.7
94.02975	5.3
95.03776	13.4
95.05051	4.4
96.04550	3.8
98.20559	4.3
101.28979	2.3
107.03777	8.1
107.08673	10.1
108.04566	4.6
108.08231	2.4
109.06542	2.8
110.06122	21.6
120.04532	14.7
121.05364	12.5
122.06128	78.1
124.07685	8.4
128.07191	7.0
134.06136	5.1
136.07687	35.3
145.10233	14.6
147.11794	23.8
152.07129	3.8
153.07986	4.8
154.08739	100.0
160.07671	2.6
171.08133	4.0
173.09698	16.9
178.23029	2.4
179.84993	2.3
191.10794	48.8
192.15999	2.7
196.25281	2.7
221.84218	2.4
242.15529	18.3
258.15009	6.6
260.16544	82.0
261.16830	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	260.0927
Annotation	Annomontine
Peak:m/z	Relative Intensity
56.58274	0.4
58.99594	1.9
59.01374	3.6
71.01389	0.7
71.53372	0.4
73.02948	0.6
74.02459	1.2
78.95911	0.8
83.38215	0.5
84.04542	0.5
98.02419	0.5
112.04029	2.2
116.03514	0.5
119.01949	0.5
128.03497	0.5
128.07205	0.6
130.08759	1.0
131.03793	0.6
131.09077	0.8
132.04555	1.3
145.02863	0.4
147.04510	2.5
172.07822	0.4
173.08441	0.8
175.06361	2.0
186.05637	0.5
187.20506	0.4
201.07945	100.0
202.08273	4.5
204.06581	0.9
215.05836	0.6
216.10278	52.4
217.07475	0.9
217.10657	3.1
218.08247	1.0
218.10428	0.9
219.12373	3.8
221.84332	0.7
233.06871	4.3
242.12068	0.8
260.02286	2.3
260.09305	4.0
260.11600	0.6
261.08795	1.6
261.13422	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73895	0.5
59.01365	1.5
69.23659	0.5
71.05002	0.7
71.54971	0.9
80.02663	1.7
81.03455	1.6
83.01388	1.0
83.05022	5.3
84.02174	2.7
95.05013	1.3
98.02473	4.8
100.55940	0.6
101.06094	0.8
125.06058	0.7
130.05110	1.2
135.04501	0.5
135.08110	0.8
146.03687	0.9
151.34787	0.5
162.14299	0.6
163.11282	4.4
165.12883	3.0
174.03189	1.8
181.12383	0.7
191.10765	1.2
203.10558	0.7
209.11816	100.0
210.12204	5.2
215.10783	0.7
227.12907	11.4
231.10100	0.7
259.06119	1.5
259.09561	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54435	1.2
57.03438	3.0
59.01382	100.0
66.36903	1.3
69.03448	1.7
70.54974	2.8
71.01372	2.8
72.99313	2.6
73.02958	3.3
78.95879	3.2
81.03443	2.9
83.01341	1.3
83.05037	10.4
85.02939	4.7
86.02494	1.9
87.04514	9.3
87.32556	1.3
89.51879	1.3
92.05068	1.5
93.03441	4.6
95.01270	1.3
95.05024	1.6
96.96931	1.4
97.02934	1.9
97.06570	3.8
99.04515	3.5
101.06149	1.4
107.05002	1.6
109.02897	1.2
109.06596	10.2
111.04523	44.5
116.05051	2.0
119.05002	1.9
119.46609	1.2
123.04492	1.9
125.09718	2.3
127.07658	2.5
128.03540	25.2
130.08745	20.2
137.06015	1.8
137.09721	6.7
153.05525	2.8
153.09183	1.4
155.10794	10.1
171.09235	2.6
192.70256	1.4
197.13007	2.0
199.09785	31.7
199.11595	3.7
215.08200	4.9
216.00305	1.4
217.10814	27.7
223.10840	1.7
241.01253	1.4
241.11867	4.5
259.02399	1.4
259.11795	74.4
260.12247	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	259.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.6
60.45724	0.8
71.01351	1.3
71.54683	0.7
71.63795	0.7
72.00906	7.6
72.99268	0.8
73.02901	1.1
74.88898	0.7
83.05010	1.6
85.02897	2.6
85.06529	0.7
86.02478	45.5
87.04470	1.1
92.05060	45.2
96.96915	0.7
99.04475	0.7
109.06564	1.3
111.00880	0.9
111.04528	4.4
116.05063	48.2
117.05407	1.4
126.32857	0.7
129.05785	2.0
130.06557	1.3
131.04666	0.6
135.04459	1.8
142.06625	21.3
143.06058	1.7
144.08182	5.9
153.09090	0.7
154.06686	4.0
155.10776	0.9
156.06909	4.2
161.02408	1.0
161.04807	0.7
169.07716	9.3
171.09274	50.6
172.09573	1.6
179.03461	2.2
199.09718	2.0
215.08243	100.0
215.12650	2.0
216.08592	5.3
217.10786	7.1
259.02707	1.6
259.07257	24.5
259.11795	8.6
259.14877	1.3
259.15417	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0248
Annotation	alpha-D(+)Mannose 1-phosphate
Peak:m/z	Relative Intensity
51.40919	0.2
53.01979	0.2
56.36910	0.2
59.01379	0.3
62.94775	0.2
69.38239	1.7
78.95882	0.4
83.05035	0.2
89.03996	0.2
98.19888	0.4
103.05540	1.2
115.05515	1.3
117.03430	0.7
119.05016	0.4
121.02950	0.6
127.05544	0.3
128.96506	0.2
129.03458	0.3
129.09717	0.2
132.02142	0.5
143.01399	0.3
143.05025	4.9
144.05453	0.2
145.02953	4.0
146.03697	0.3
147.04518	3.7
153.03471	0.9
156.02122	0.2
158.03831	0.2
159.04514	0.8
161.02347	0.3
161.06131	0.2
169.02933	0.5
171.04520	25.4
172.04895	1.2
173.02437	3.3
187.03995	3.0
189.01952	0.4
191.03520	1.2
197.02420	0.8
199.00343	0.7
213.01868	0.4
215.03491	4.5
217.01375	2.7
241.01331	0.5
259.02454	100.0
260.02798	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	259.0224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
62.96420	0.3
68.75685	0.2
69.74722	0.9
71.01370	0.4
71.07144	0.1
76.88165	0.2
78.95903	100.0
90.81923	0.2
91.60947	0.2
96.96959	73.0
101.02422	0.4
114.01955	0.2
117.24043	0.2
126.98814	0.2
127.16996	0.1
128.03497	0.3
131.04616	0.6
132.60416	0.1
138.98018	4.7
145.06235	0.3
150.98027	0.3
168.99062	1.8
171.00726	0.2
172.00922	0.2
176.00880	0.2
196.92580	0.3
198.90579	1.1
199.00116	2.0
214.93619	0.6
216.90613	1.2
223.00058	0.4
240.91574	0.8
241.01169	3.2
258.92709	1.8
259.02209	31.7
260.02576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0225
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
57.17434	0.8
70.65137	1.2
70.65472	0.8
74.42640	0.6
74.53614	0.8
78.26992	0.6
78.95903	100.0
81.30733	0.7
81.67633	0.7
87.05624	1.6
89.41086	0.7
96.96960	77.2
128.22833	0.8
132.95445	0.8
138.98013	4.7
144.07957	0.7
144.95453	2.8
150.98036	0.7
156.93082	1.1
168.99091	1.6
198.92068	1.4
199.00214	3.4
204.97488	0.8
213.05209	2.1
216.90849	0.9
222.98607	3.3
241.01149	3.2
241.04698	1.4
247.93701	0.8
258.92914	0.8
259.02219	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	259.0223
Annotation	BETA-GALACTOSE-6-PHOSPHATE
Peak:m/z	Relative Intensity
57.03452	3.7
58.99687	1.5
59.01376	7.0
70.03016	2.1
70.73063	4.0
71.01389	9.2
73.02927	2.1
74.02484	7.8
78.95908	100.0
82.02979	5.0
83.01400	6.0
84.00924	1.6
85.02939	6.4
87.00890	4.0
87.05642	9.8
93.03433	3.0
96.00917	7.3
96.04559	1.8
96.96005	3.3
96.96964	86.7
98.02473	6.6
98.19910	1.7
99.00875	11.9
100.04025	2.3
101.02415	1.9
107.05017	3.3
111.00893	11.3
112.04037	5.7
112.98812	27.0
113.03572	2.8
114.02006	3.8
115.00386	2.8
117.69746	2.0
117.84360	1.8
123.04531	1.9
127.02293	1.8
128.03551	4.3
129.01959	9.4
129.10266	1.7
130.08748	2.4
131.04599	3.0
131.08195	2.0
135.04556	3.6
138.97018	2.3
138.98032	5.4
153.06700	3.3
169.06157	2.3
171.01213	2.1
173.00926	6.0
179.03404	2.5
179.04747	1.9
187.00771	2.3
197.05682	4.0
199.09830	1.8
213.05177	14.3
217.10733	2.1
241.01198	5.9
241.04648	12.9
259.02182	31.1
259.05615	10.2
259.08209	2.5
259.11905	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	258.1498
Annotation	Huperzine H
Peak:m/z	Relative Intensity
53.68301	0.5
54.18134	0.6
55.01867	0.6
56.14556	0.5
58.80478	0.5
61.09609	0.5
69.89867	2.3
82.02985	40.0
83.03289	0.7
84.04549	68.2
85.04877	0.8
87.04519	4.5
88.04856	1.7
108.04552	0.9
121.25822	0.5
122.06118	2.2
136.04027	1.6
147.11783	2.9
151.06378	13.7
152.07188	4.8
202.13278	0.5
249.30914	0.5
258.14975	100.0
259.15277	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	259.0224
Annotation	BETA-GALACTOSE-6-PHOSPHATE
Peak:m/z	Relative Intensity
50.07550	1.2
53.02481	1.0
54.75089	1.0
56.90385	0.9
57.02295	0.9
57.03436	2.9
58.02961	1.2
59.01374	8.3
63.40648	1.0
68.99816	1.4
69.91221	4.0
69.91631	2.0
71.01382	7.5
72.99346	1.5
73.02941	3.2
73.83046	1.0
74.02465	7.6
78.95905	100.0
80.96471	1.1
82.02982	3.7
83.01385	2.2
84.00905	1.1
85.02954	2.1
87.00872	2.7
87.05650	9.0
93.03445	3.1
96.00950	5.8
96.04568	3.1
96.95982	2.2
96.96961	81.1
98.02463	4.2
98.20010	1.6
99.00896	7.8
100.04039	1.9
101.02448	1.9
107.05042	1.6
109.01180	1.5
111.00903	5.7
111.04591	1.5
112.04042	4.7
112.98824	12.7
114.02028	1.8
114.05612	1.7
115.00401	2.1
128.03543	3.7
129.01939	5.1
130.08743	1.2
131.04625	3.0
131.08264	1.4
135.04539	5.9
138.61438	1.1
138.98048	6.9
145.01431	1.8
151.05176	1.7
153.06679	2.5
155.10767	1.6
168.99084	2.2
169.06178	1.8
171.01273	2.7
173.00877	5.3
173.11928	1.3
179.03418	2.2
179.04794	1.3
191.01912	1.2
197.05710	5.9
199.00047	1.4
199.09747	4.0
205.03622	1.3
213.05173	12.6
217.10852	6.1
241.01218	4.4
241.04692	9.8
247.35098	1.2
258.99109	3.1
259.02213	32.9
259.05600	6.7
259.08170	2.4
259.11688	6.6
260.07986	1.1
268.63913	1.1
278.95206	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63754	0.8
57.05632	0.8
59.01371	3.3
61.98812	2.0
83.05035	2.6
87.04523	2.5
99.92598	1.0
116.92861	9.4
134.03737	18.3
155.99283	0.8
158.93999	1.2
165.86687	0.9
166.02719	12.3
173.06108	2.2
182.48900	0.8
187.07675	1.4
203.97264	2.3
211.20718	1.4
221.15512	1.0
221.84222	1.6
257.01022	1.0
257.15475	100.0
257.21185	7.3
257.23923	4.4
257.93945	5.6
258.15778	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	257.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95747	0.2
56.57525	0.2
59.01381	0.6
60.97369	0.2
61.98824	0.4
65.67319	0.3
77.94336	0.2
83.05032	0.4
87.04510	100.0
88.04847	1.5
98.19906	0.8
162.60197	0.3
163.98648	0.3
169.12341	7.0
170.12732	0.4
187.13374	3.1
221.84235	0.4
224.43085	0.2
257.04538	0.3
257.17557	12.7
257.23810	0.9
257.93872	0.7
258.17844	0.7
260.74997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	29.2
59.01379	2.0
69.03474	1.7
83.05016	4.8
85.02957	1.6
85.06580	4.1
87.07761	1.0
90.27789	0.9
93.03461	1.2
95.05009	2.3
95.08676	1.5
98.03747	8.2
99.49682	1.0
101.02451	4.0
109.06590	1.6
111.08119	1.0
112.05272	1.5
118.34830	0.9
123.08164	4.3
124.05283	7.4
135.04538	5.4
135.08131	1.2
137.06116	0.9
137.09726	10.6
138.06827	5.2
139.07661	29.4
139.11304	1.9
149.09700	2.7
151.11194	1.0
153.09207	17.9
155.10783	100.0
156.11128	2.4
165.12837	2.3
167.14557	0.9
173.04604	1.3
176.04030	11.0
176.54141	1.8
177.12878	1.6
179.03479	5.3
185.15488	4.1
195.13913	17.8
196.14244	1.3
199.09798	1.4
213.14960	54.7
214.15327	2.6
215.09294	2.0
250.49663	1.0
257.13950	88.3
258.14258	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	257.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57848	0.8
57.03452	30.1
59.01373	1.6
60.99277	0.8
69.03452	1.2
71.22725	2.1
83.05024	6.6
85.06586	3.9
92.94170	0.9
93.03463	3.2
95.05022	2.3
95.08656	1.3
97.02987	1.7
97.06558	1.3
98.03719	8.4
99.08155	1.2
101.02440	4.9
109.06579	2.3
112.05318	1.1
123.08162	3.9
124.05287	9.4
126.96980	0.9
135.04552	7.4
137.06090	1.5
137.09740	9.2
138.06880	5.4
139.07657	29.8
139.11314	1.3
149.09727	3.2
151.11244	2.1
153.08073	1.4
153.09227	18.8
155.10788	100.0
156.11099	3.3
165.12827	1.6
167.14388	1.2
173.04478	1.4
176.04039	12.9
176.54132	0.8
177.12894	1.5
179.03539	7.4
179.10805	1.8
180.23091	1.0
185.15479	3.6
195.13892	17.7
199.09758	2.1
204.08409	0.9
213.14969	56.0
214.15260	3.0
215.09190	1.2
236.57211	0.8
257.13947	81.9
258.14304	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	257.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03449	11.0
59.01379	8.1
65.03954	1.1
67.01891	1.3
69.03474	1.1
71.01395	0.6
81.03513	0.7
83.05032	5.2
85.02954	2.9
85.06608	1.4
87.00882	2.9
91.45074	0.6
93.03458	7.8
94.03756	0.7
95.01350	0.6
95.05024	1.3
97.06609	0.7
98.03713	3.1
98.19906	1.7
99.04583	0.6
101.02460	2.5
107.05048	0.9
108.02178	0.8
109.02934	4.4
109.06573	1.3
111.04524	2.9
111.08193	1.1
122.03738	0.8
123.08186	1.2
124.05280	3.0
125.06099	2.4
129.01958	2.0
134.03737	1.2
135.04532	29.8
136.04886	2.1
137.02435	1.2
137.06087	12.5
137.09732	5.0
138.06865	2.0
139.07658	12.6
149.09740	2.0
151.11319	0.9
153.09222	6.5
155.03542	1.1
155.10783	39.9
156.11150	1.3
161.02422	0.9
165.12991	0.6
169.05090	3.9
170.11783	0.8
173.04648	1.0
176.04027	100.0
176.54198	14.8
176.98744	0.6
177.04295	0.7
177.09200	1.6
179.03496	30.6
180.03848	2.3
181.05074	3.8
185.15384	0.9
191.05659	1.2
195.10251	0.7
195.13872	7.5
198.11360	3.4
199.09830	0.5
213.07767	0.7
213.11394	0.9
213.14957	24.2
213.17026	1.3
215.09314	1.3
256.23581	1.0
257.13947	36.6
258.13422	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	257.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91252	0.8
59.01376	1.6
65.00326	23.3
69.02396	0.8
69.21496	7.9
71.01393	0.9
77.21254	0.8
81.03461	1.6
83.01398	1.7
85.02950	1.1
88.86509	0.8
89.19076	0.7
91.01888	0.7
93.03459	1.6
95.04970	0.9
97.02950	3.5
98.19896	1.1
99.00866	3.9
105.03477	0.8
107.01382	2.7
109.02957	6.5
111.00875	3.2
119.01356	1.2
121.02983	3.7
123.00830	1.4
123.04542	1.1
125.02454	3.2
127.04053	1.1
129.01949	5.0
133.02951	2.5
135.00899	1.7
137.02504	2.0
139.04016	1.2
141.01935	3.7
147.00774	1.3
149.02428	2.8
150.99199	1.3
151.00369	17.1
151.03996	2.8
153.01955	5.4
163.00359	7.3
165.01944	9.5
167.03500	2.8
169.01393	1.4
171.02979	3.3
175.00443	1.3
177.01926	8.2
178.99950	1.3
183.02934	1.0
190.99870	23.0
192.00516	0.8
193.01410	5.3
195.03000	13.2
197.00961	0.8
209.00911	36.4
209.02896	2.0
210.01288	1.9
215.09264	1.5
221.00912	34.9
222.01224	1.5
227.01958	15.3
239.01973	84.4
240.02286	3.2
256.23648	3.5
257.03021	100.0
257.13821	6.2
257.23911	1.3
258.03320	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	257.0457
Annotation	Alternariol
Peak:m/z	Relative Intensity
50.18266	0.2
59.01374	0.8
61.51952	0.3
61.98863	0.3
62.32717	0.3
73.02950	0.4
75.35394	0.3
83.05054	0.3
86.23306	0.3
96.23161	0.3
102.14780	0.3
124.88390	0.3
136.89793	0.3
139.22502	0.3
141.07011	0.3
143.05035	1.6
145.02962	1.0
147.00891	0.4
147.04468	0.5
159.04485	0.6
161.05998	0.4
170.03754	0.4
171.04477	0.9
174.03275	0.5
185.06078	5.3
187.04007	4.6
189.05565	2.6
190.02670	0.8
201.05550	1.8
213.05560	7.0
214.02626	2.0
214.05823	0.3
215.03506	3.9
216.03967	0.4
229.00963	0.4
229.05055	2.3
230.02155	0.4
243.02527	0.3
245.00934	0.4
256.03729	1.4
256.23590	1.0
257.04550	100.0
257.23953	0.9
258.04852	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	255.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51614	0.6
57.03450	16.7
59.01383	1.5
59.19206	0.6
61.28050	0.5
68.45603	0.6
69.03447	1.5
71.01389	0.6
71.54211	0.9
73.02942	1.5
81.03453	1.1
83.05037	1.2
85.02953	2.2
85.06599	0.7
93.03474	0.9
95.05035	3.8
97.02940	3.9
97.06588	0.8
99.08182	0.7
101.02444	3.2
109.06601	9.2
111.04536	1.9
121.06619	0.7
122.03732	1.8
123.04557	1.6
123.08163	2.9
129.70256	0.7
135.08162	8.8
136.05301	1.5
137.06065	2.1
137.09721	5.5
138.06876	46.4
139.07130	1.2
143.61732	0.7
149.09750	1.2
151.07675	1.0
152.08353	0.7
153.09219	100.0
154.09564	4.3
163.11334	2.4
165.12828	1.6
167.03493	3.2
169.12337	2.6
175.11304	3.3
177.09131	1.3
183.13905	2.9
193.12338	13.4
194.12695	1.2
196.11052	0.7
209.03282	0.6
211.13397	48.2
212.13737	1.5
255.12386	45.8
255.23285	57.9
256.12817	2.0
256.23633	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19579	0.4
59.01384	1.2
69.03445	0.4
69.97171	0.4
70.54362	0.4
70.54713	1.2
85.71778	0.4
87.04515	100.0
88.04856	1.6
88.50429	0.4
99.08173	0.7
134.89481	0.6
144.33055	0.4
167.10767	7.9
185.11838	7.9
195.66603	0.4
219.84528	1.3
255.16026	44.5
255.23273	15.7
256.16339	2.9
256.23642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01373	2.0
60.48587	0.3
61.98830	100.0
71.01385	0.6
71.34914	0.7
73.02946	2.2
83.04997	0.6
85.02950	5.4
85.06608	1.8
95.05014	0.6
99.04539	0.7
99.08154	2.0
111.04542	0.5
122.02490	0.5
129.26396	0.4
135.08209	0.4
142.99889	0.9
151.11285	1.4
153.09273	0.4
163.11269	3.2
165.12848	0.4
167.10745	0.4
169.12338	7.1
169.13683	0.7
172.60498	0.4
181.12317	0.6
195.13989	1.5
227.74722	0.4
236.00650	0.4
237.14951	0.8
239.20903	0.4
255.16003	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	253.2172
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
71.30096	0.5
101.18320	0.3
133.94078	0.4
134.26099	0.3
160.74835	0.3
253.21713	100.0
254.22049	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	254.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01373	2.0
60.48587	0.3
61.98830	100.0
71.01385	0.6
71.34914	0.7
73.02946	2.2
83.04997	0.6
85.02950	5.4
85.06608	1.8
95.05014	0.6
99.04539	0.7
99.08154	2.0
111.04542	0.5
122.02490	0.5
129.26396	0.4
135.08209	0.4
142.99889	0.9
151.11285	1.4
153.09273	0.4
163.11269	3.2
165.12848	0.4
167.10745	0.4
169.12338	7.1
169.13683	0.7
172.60498	0.4
181.12317	0.6
195.13989	1.5
227.74722	0.4
236.00650	0.4
237.14951	0.8
239.20903	0.4
255.16003	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	253.1445
Annotation	Nardosinanol H
Peak:m/z	Relative Intensity
57.03443	11.5
59.01379	99.5
65.82574	1.2
69.32988	1.4
71.01382	13.8
71.05037	1.4
71.22552	1.4
71.22872	2.5
73.02951	25.3
75.95494	1.7
83.05020	5.0
85.02953	42.2
87.04521	2.0
90.06036	1.5
93.03444	2.5
95.05014	4.9
99.04517	12.7
105.07077	3.9
109.02927	1.7
109.06573	9.4
111.04523	100.0
113.06083	4.6
121.02937	2.2
121.06601	2.6
123.04523	1.4
123.07381	1.3
123.08132	9.5
125.06081	9.1
129.05583	2.3
134.07368	1.9
135.08142	6.1
137.09708	15.1
138.06877	4.0
139.07623	4.1
148.08893	3.5
149.09717	48.2
150.10110	2.1
152.08466	2.5
153.09227	8.1
159.08101	2.3
161.04581	2.4
161.09682	3.8
163.11290	75.8
164.11566	4.3
165.09000	1.4
165.12842	1.8
167.10774	91.2
168.11046	2.9
175.07603	1.6
175.11191	2.6
177.09200	11.8
178.06520	2.0
179.10741	6.9
191.10767	3.7
193.07190	8.0
193.12331	29.5
194.12625	2.0
197.08162	2.2
199.11263	4.1
201.09206	1.9
211.13371	4.4
217.10341	2.7
217.12326	37.8
218.12659	1.6
225.15010	1.6
231.07516	1.3
235.13391	48.8
236.13687	2.6
253.14433	48.5
253.21687	3.1
254.14684	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	253.1445
Annotation	Nardosinanol H
Peak:m/z	Relative Intensity
50.84190	1.1
57.03444	12.1
59.01381	100.0
69.59995	4.5
69.60411	2.5
71.01379	13.9
71.05014	2.3
73.02946	27.3
83.05019	5.9
85.02951	37.5
87.00872	1.5
87.04504	2.7
93.03495	1.5
95.01399	1.1
95.05037	4.5
99.04516	13.1
105.07088	4.1
108.41135	1.1
109.06569	6.8
111.04521	85.6
112.04816	1.2
113.06087	4.9
121.06606	3.2
122.03699	1.3
123.04542	2.0
123.08170	9.6
125.06099	11.7
129.05617	1.6
134.07327	3.1
135.08136	7.6
137.09718	16.6
138.06868	3.2
139.07643	4.3
147.08188	2.1
148.08928	2.2
149.09715	41.6
149.55089	1.2
150.10069	2.0
152.08424	2.0
153.09184	7.3
161.09729	3.4
163.11290	71.2
164.11644	1.9
165.09192	1.2
165.12955	1.1
167.10777	74.0
168.11076	3.3
175.11282	3.7
177.09192	12.4
179.10808	6.0
191.10796	4.2
193.07185	11.7
193.12332	28.1
197.08282	1.2
199.11299	2.6
201.09206	2.2
202.09952	1.9
207.13766	1.9
209.11833	2.7
211.13454	3.1
212.48523	1.1
217.12341	32.5
218.12674	2.6
225.14984	2.4
227.31163	1.0
235.13402	48.9
236.13632	2.3
251.16122	1.2
253.14459	44.5
253.21729	12.8
254.14902	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	251.2016
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01367	0.7
65.74944	0.2
71.29974	0.4
93.63219	0.2
125.56831	0.2
200.09932	0.3
233.19138	0.4
251.20155	100.0
252.20511	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	252.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.2
61.98831	100.0
71.01393	2.0
71.53615	0.6
85.02965	0.8
87.00897	0.6
101.02449	1.4
107.05037	0.4
108.02173	4.5
113.02396	0.7
125.02462	0.6
128.41953	0.4
135.04575	0.7
139.42575	0.4
147.03288	3.3
159.03304	0.9
161.04588	1.1
161.68338	0.4
163.04128	0.5
173.04843	1.3
180.06767	1.2
189.06691	6.1
193.07190	3.4
196.19994	0.4
196.66975	0.4
223.02533	0.5
234.05135	0.5
250.73434	0.4
252.05920	2.0
252.11894	0.5
253.03716	0.7
253.06923	0.5
253.21625	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	253.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01721	0.9
61.98835	25.0
69.03469	0.7
69.63618	3.3
70.36089	0.6
71.01389	4.2
73.02951	1.5
76.69865	0.7
85.02959	3.8
87.00896	1.2
89.02485	1.1
97.02983	1.1
98.20599	0.9
99.00886	0.7
99.27039	0.6
101.02452	4.1
107.05047	2.6
108.02179	40.4
109.03021	1.3
113.02469	1.4
116.96610	0.6
119.03522	0.7
121.02966	1.7
125.02449	0.8
130.58397	0.6
135.04526	4.8
161.04549	3.8
163.03999	1.0
165.05681	1.1
179.94415	0.6
184.85141	0.6
193.07170	12.7
205.01456	0.8
209.04616	1.1
245.55115	0.8
253.03574	1.3
253.07036	5.5
253.09482	1.9
253.21733	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	251.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.7
59.01382	2.5
61.98829	3.7
66.97253	0.3
68.10471	0.3
70.35878	0.9
71.01370	1.8
73.02954	1.7
75.00849	0.3
81.03446	0.6
83.01383	0.6
85.02955	0.6
87.00837	0.3
89.02451	1.7
93.03434	0.4
95.01366	0.4
96.96950	0.5
97.02902	0.5
99.00874	0.3
101.02444	1.1
101.53198	0.3
103.04013	3.5
104.56116	0.3
106.10068	0.3
107.05053	0.4
108.02174	24.2
109.03010	0.4
113.02437	0.8
114.05601	1.1
115.00463	0.3
119.05048	0.6
120.99658	4.2
121.02939	1.3
121.06594	0.7
122.03747	0.6
123.04526	3.9
125.02450	12.9
129.01884	0.3
132.02185	0.9
137.02463	0.5
145.06522	0.3
147.04520	2.7
149.02434	2.2
150.03233	12.0
153.01941	0.3
159.02957	0.4
161.04564	0.3
163.04196	1.4
163.07642	0.9
164.04802	2.2
165.05569	25.5
166.05898	0.7
171.04492	0.4
179.03464	0.5
180.06621	0.8
189.05539	5.7
191.03513	2.9
207.06575	1.3
209.04550	1.5
215.03587	0.5
233.04556	12.9
234.04861	0.8
251.05600	100.0
252.05968	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	251.0559
Annotation	Desmethyldiaportinol
Peak:m/z	Relative Intensity
52.13929	0.3
55.01866	0.3
55.48798	0.3
57.03451	3.2
59.01374	1.3
61.98833	1.7
67.43735	0.3
69.83294	1.4
71.01389	0.5
73.02940	2.3
77.94923	0.3
81.03432	0.8
83.01386	0.5
97.02979	0.4
98.20011	0.4
101.02386	0.4
103.04008	5.5
103.95206	0.3
108.02170	23.9
119.05034	0.8
120.99638	0.6
121.02959	0.9
121.06551	0.4
122.03723	0.8
123.04531	4.6
125.01527	0.7
125.02444	13.5
126.02715	0.4
131.91597	0.3
132.02083	0.4
145.06464	0.3
147.04495	3.5
149.02415	1.9
150.03223	12.0
151.03642	0.4
160.79811	0.3
161.06071	0.3
164.04794	1.9
165.05565	23.6
166.05893	1.0
189.05571	5.3
191.03505	3.4
207.06651	0.8
209.04562	0.7
233.04546	14.7
234.04872	0.5
251.05597	100.0
252.03453	0.5
252.05939	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	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74601	1.4
58.02977	100.0
59.01369	4.6
62.62663	1.5
64.10791	1.4
69.33878	10.2
93.30811	1.4
132.02966	1.7
146.86751	1.5
147.04462	2.0
153.42552	1.4
164.07162	48.7
165.07426	1.7
168.06201	1.4
168.07632	1.3
168.09756	1.4
206.08218	74.6
207.08490	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	250.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73615	0.2
51.96842	0.2
59.01379	0.3
69.56850	0.6
69.57269	0.6
71.01392	0.6
88.04046	7.0
91.05545	0.3
93.03458	0.3
98.19927	0.3
114.01969	0.4
115.00392	1.4
117.03519	0.2
119.05033	100.0
120.05352	2.8
132.03036	8.4
135.04524	0.3
144.04565	0.4
145.06609	0.3
162.05621	0.6
172.07716	0.2
206.08278	0.2
212.66414	0.2
250.07224	1.7
250.10857	16.0
251.11195	0.8
258.80386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47523	0.3
58.99593	2.4
59.01377	5.5
64.02571	0.3
69.52477	0.3
71.01374	0.4
72.61065	0.4
73.01173	0.7
86.73137	0.3
87.00878	9.6
101.04273	0.4
102.08422	0.3
102.98600	1.0
107.03650	0.3
116.26407	0.3
117.03775	1.4
119.05368	100.0
120.05696	1.6
141.31693	0.3
146.29257	0.4
150.64221	0.4
151.40594	0.3
181.77573	0.4
189.05905	10.9
204.04294	2.9
207.06963	12.0
219.06615	1.7
229.24167	0.4
249.04218	0.4
249.07945	5.0
250.14375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1344
Annotation	1-(S)-Methylbutyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01886	11.2
55.18457	0.9
57.03444	6.0
58.00576	3.6
58.02963	1.0
59.01381	69.0
69.03456	1.3
69.34481	6.9
69.34885	1.4
71.01384	77.5
72.01690	1.4
72.99309	5.3
73.02949	39.1
75.00846	1.2
83.00913	1.8
83.01385	22.8
85.02950	44.2
85.06583	2.3
86.00084	2.9
87.00866	3.2
87.08162	3.4
89.02439	8.0
95.01385	5.6
97.02946	1.1
99.00883	15.9
101.02443	100.0
102.02795	1.1
111.00883	2.6
113.02450	35.8
125.02454	1.9
129.01942	3.1
143.03520	2.9
157.08652	1.5
159.03003	7.8
161.04559	26.6
204.04294	1.5
219.06645	1.6
249.07906	3.5
249.13411	43.8
250.14146	2.9
264.96423	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.186
Annotation	roughanic acid
Peak:m/z	Relative Intensity
56.43831	0.5
59.01374	2.1
69.94660	2.2
94.09959	0.5
137.48148	0.6
138.86601	0.6
205.19571	1.1
231.17662	1.4
246.77185	0.5
249.18588	100.0
250.18933	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	250.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
71.01385	4.7
72.22784	0.4
88.04042	70.9
88.87544	0.5
89.04401	0.9
91.05549	3.0
96.78712	0.4
114.01979	4.9
115.00376	13.7
117.03455	0.8
120.04496	0.5
121.02941	1.2
132.03029	100.0
133.03363	1.7
134.06075	0.8
135.04524	4.3
157.67638	0.5
196.71660	0.4
206.08192	3.1
232.06178	0.9
250.07188	24.8
251.07518	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1701
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
59.01369	0.3
59.96426	0.2
61.98813	0.5
62.06171	0.2
65.04427	0.2
70.72240	0.3
70.72575	0.2
71.01376	2.0
79.95744	0.2
92.12304	0.2
103.04018	0.9
157.05002	0.2
179.06943	0.2
184.00159	1.1
186.95616	0.4
205.15910	0.4
207.13733	0.2
220.17036	0.3
231.13936	0.5
247.17015	100.0
248.08008	1.3
248.17361	6.7
259.67056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.4
59.01379	41.2
60.39773	0.4
71.05012	3.6
72.99324	0.6
85.06613	0.7
97.06592	0.7
98.19846	1.0
99.08144	0.6
122.17516	0.4
127.11328	2.5
137.09715	0.8
139.11255	1.5
139.49918	0.4
148.96819	0.5
155.10812	2.8
157.12344	15.2
185.11826	15.1
185.13484	0.8
186.12126	0.6
195.45613	0.5
203.12869	100.0
204.13203	4.1
229.00597	0.5
245.04538	1.8
245.13898	7.6
255.79520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.9917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98290	0.4
58.08725	0.6
59.01375	1.8
69.42298	2.2
69.42708	1.0
71.01381	5.1
71.09467	0.5
72.99316	1.1
73.55128	0.5
79.95750	5.9
93.03459	0.9
96.96017	11.9
98.19871	0.9
101.24039	0.5
102.01958	0.8
103.04002	2.2
108.02180	23.3
108.02922	1.1
114.01952	1.8
119.05083	0.5
123.04520	13.9
131.03751	1.2
132.04543	2.0
144.77568	0.4
148.58095	0.6
152.01157	63.0
153.01498	1.9
157.05045	0.6
158.06129	1.6
161.02379	0.9
163.00327	0.6
167.03503	100.0
168.03799	2.5
173.04521	1.3
175.03996	1.5
177.01913	1.0
186.95551	0.6
198.27975	0.5
199.08809	1.0
201.06409	0.6
203.00192	3.2
203.08273	0.7
205.01422	1.4
219.03029	1.1
229.01659	0.6
246.99196	26.0
247.02454	4.5
247.07080	1.9
247.11699	0.5
247.99626	1.1
248.02631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01381	40.6
63.99118	0.3
69.52884	0.3
74.02465	1.5
81.03460	0.4
83.05019	0.4
98.02479	0.6
113.09723	1.5
116.05091	0.4
123.04525	4.5
123.08175	0.6
124.04840	0.5
125.09740	0.9
127.11313	1.4
131.32439	0.4
132.81529	0.3
133.02940	1.0
135.04535	1.3
139.11284	1.1
141.09238	0.5
142.06628	2.5
155.10812	3.0
157.12343	15.9
158.12665	0.8
158.79065	0.4
161.02438	2.3
179.03491	0.7
185.11836	15.9
186.05574	0.6
186.12225	0.5
189.03261	0.5
201.02017	0.7
203.12878	100.0
204.06673	1.1
204.13213	4.6
245.05843	2.1
245.09428	0.9
245.13913	7.1
245.55763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1394
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
50.35094	0.3
53.85309	0.4
55.16674	0.3
57.03452	3.5
59.01376	2.5
67.13272	0.4
69.03448	0.7
69.75361	2.1
71.01376	2.7
71.05019	0.6
73.02925	0.6
75.02135	0.4
85.02916	0.4
85.06613	0.8
87.04488	0.4
91.50924	0.4
93.03454	0.6
95.05046	2.7
98.19958	0.7
109.06594	4.2
111.08170	0.7
113.06082	0.9
121.06599	0.6
123.08168	1.1
126.12917	0.4
127.07603	0.3
127.11305	1.0
129.09216	0.9
130.08734	0.7
137.09724	5.0
139.11301	0.4
141.12854	0.9
151.85834	0.4
155.10681	0.4
163.11287	3.4
165.09151	0.4
165.12857	6.2
169.12294	0.5
171.13892	0.6
179.10793	0.6
181.12332	13.5
182.12593	0.7
197.11835	1.0
199.11700	0.7
199.13391	6.1
227.12898	1.4
243.12381	1.0
245.13924	100.0
246.14331	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.2
58.00589	6.0
59.01379	18.2
59.34303	1.0
68.99787	1.4
71.01382	10.9
71.40733	1.7
72.02177	1.4
72.99285	1.6
73.02959	2.1
74.02489	6.0
76.22861	1.1
81.07092	2.2
83.01417	1.0
84.02126	1.5
85.02969	1.8
87.00867	16.6
89.02429	8.3
95.05000	2.5
97.06582	12.3
99.00868	1.6
99.08142	9.0
101.02433	2.5
104.03572	1.6
105.01870	2.6
107.05078	2.2
108.02181	2.0
109.06594	3.6
111.08144	2.1
112.01688	1.5
121.06545	1.0
125.06084	4.0
127.07650	100.0
128.08032	2.4
129.01924	3.0
129.09218	4.5
129.10336	6.6
130.08708	3.0
137.06079	8.1
139.07651	9.5
141.09337	1.4
141.10329	6.5
141.93866	1.0
147.02977	2.6
153.09247	1.2
155.07132	40.3
156.07481	1.4
157.08698	3.6
167.07162	3.3
183.11423	2.5
185.08215	5.6
215.10368	6.3
227.10403	1.6
242.34172	1.2
245.10381	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	245.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90434	0.8
58.02977	23.6
70.02983	16.4
71.11805	2.0
72.00906	5.4
72.04534	4.0
73.28996	0.9
74.02475	99.2
98.02481	24.8
116.03547	28.9
116.05059	39.1
118.16338	0.9
130.06606	4.7
142.06628	9.3
154.27698	1.0
156.08134	1.5
158.06099	1.0
159.09206	6.1
160.02586	0.9
183.09239	2.1
186.05553	2.4
201.10353	9.0
203.08260	94.7
204.08687	4.8
242.01186	1.0
245.09300	100.0
246.09669	4.7
247.32111	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
58.00595	7.7
58.02966	1.3
59.01377	22.1
68.99815	1.8
69.52287	2.4
69.52715	5.4
71.01367	10.8
72.02168	3.6
72.99297	2.1
73.02941	2.0
74.02466	6.0
75.00877	2.0
78.95908	2.4
81.07099	2.8
84.02174	1.2
85.02956	2.6
87.00872	23.6
89.02443	8.6
93.31821	1.1
95.05038	3.6
97.06587	14.3
98.19901	2.2
99.08144	9.3
99.42423	1.1
101.02444	2.5
104.03531	1.5
105.01945	1.4
107.04982	1.4
108.02152	2.1
109.06599	6.3
110.71807	1.1
111.08179	1.4
112.01721	2.1
117.01787	1.2
121.06612	1.5
125.06091	3.1
127.07648	100.0
128.07985	1.7
129.01973	4.0
129.09229	4.3
129.10352	6.5
130.08694	5.9
137.06070	9.8
139.07620	8.2
140.07100	1.5
141.10353	6.5
144.00676	1.3
147.02963	3.1
149.06036	1.4
153.09251	1.3
155.07137	39.6
157.08681	2.2
166.08824	1.1
167.07135	5.7
171.11433	1.2
181.91539	1.2
183.11455	2.6
185.08142	6.8
199.09734	1.3
215.10443	6.0
227.10336	2.3
245.10197	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	245.043
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
52.65474	1.1
70.68397	1.9
70.68735	2.6
72.99300	6.0
78.95902	100.0
94.92502	1.5
94.98090	1.9
96.95990	1.7
96.96951	15.6
106.80495	1.1
108.90198	30.2
115.50798	1.1
131.08260	10.9
150.98024	1.5
152.96054	3.1
152.99585	67.3
170.89273	7.4
170.92834	1.3
170.95689	1.3
170.97064	4.4
171.00641	40.1
173.10413	13.4
245.04344	77.0
261.26065	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	24.4
60.99452	0.8
70.02979	16.9
72.00916	5.6
72.04548	3.4
74.02473	100.0
81.95724	0.9
94.67433	0.8
98.02477	23.5
116.03545	31.6
116.05053	34.4
119.89221	0.9
130.06638	3.5
136.85739	1.0
142.06606	8.8
159.09291	6.3
183.09207	2.8
186.05603	2.2
201.10321	9.7
203.08260	87.9
204.08664	4.6
245.09290	95.9
246.09584	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	243.16
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
50.90049	0.2
54.98250	0.3
57.03433	0.2
59.01382	1.3
59.42807	0.2
61.98828	16.1
65.84805	0.3
66.44547	0.3
67.01887	0.7
68.99788	0.3
69.03463	0.4
74.77047	0.3
83.01365	0.4
99.92569	2.4
111.00888	0.8
115.92126	0.4
125.09702	1.0
171.10280	0.9
183.10251	0.5
183.13989	0.4
184.14287	0.3
193.12300	0.5
197.15468	0.4
197.90660	2.7
199.04021	0.4
199.15254	0.6
211.13377	3.9
225.11365	0.4
225.14999	0.6
227.02429	0.7
243.15979	100.0
243.89857	4.2
244.16302	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1601
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
52.50654	0.1
55.01879	0.1
57.03448	0.9
59.01384	0.3
59.94973	0.1
61.56388	0.1
63.55487	0.1
64.55739	0.1
72.99303	0.2
83.05027	1.0
84.02176	0.5
85.06589	1.3
97.06610	0.5
123.08192	0.6
137.09735	0.2
139.11295	4.3
140.11627	0.1
141.12840	0.5
151.11292	0.6
153.12814	0.1
157.08755	0.1
163.11270	0.4
165.12810	0.1
167.14438	0.5
179.14417	1.2
181.12341	1.5
183.10243	0.1
195.13919	2.9
195.15590	0.2
197.15465	34.9
198.15793	1.6
201.11311	0.2
225.14954	1.4
241.14400	0.5
243.03241	0.6
243.15997	100.0
244.16338	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
53.04572	0.4
55.03867	0.4
57.03440	1.0
58.00584	1.8
58.11889	0.4
59.01376	8.1
65.69321	0.4
69.03467	0.8
69.69933	2.4
71.01365	1.4
71.05024	0.4
73.02946	17.5
81.03460	1.0
83.04989	0.8
85.02928	0.7
87.31102	0.4
95.05035	1.6
99.04510	2.6
103.05548	0.4
107.05026	2.8
107.08638	0.8
109.06565	1.4
111.04537	0.9
119.08669	6.9
121.06602	1.4
129.14410	0.4
135.08160	0.6
137.09721	7.8
139.07597	0.6
145.10223	6.5
153.09229	0.8
161.09686	0.8
163.11285	6.3
165.09206	0.4
169.08661	1.2
179.10739	0.6
181.12370	1.2
199.09795	1.1
207.10257	1.3
225.11279	3.8
243.12358	100.0
244.12639	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	243.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01366	1.6
61.98826	21.0
67.01883	1.5
69.98579	1.9
80.26151	0.4
83.01414	0.3
99.92574	2.7
110.02482	0.9
111.00913	0.8
111.08030	0.4
119.92355	0.5
125.09737	1.9
139.11292	0.7
151.91376	0.5
156.02290	0.5
158.93883	0.4
171.10281	1.4
181.12221	0.5
183.13901	0.7
197.15547	0.5
197.90633	3.5
207.10245	0.4
211.13408	5.6
225.11400	0.6
225.15039	0.6
243.15990	100.0
243.89906	5.1
244.16353	5.5
257.42810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68587	0.5
57.03450	1.1
58.00596	2.1
59.01381	7.2
67.01880	0.5
69.03457	0.9
70.86710	0.5
70.87032	0.7
71.01395	3.8
71.05016	0.7
73.02946	21.2
74.88890	0.5
81.03452	1.5
83.05006	0.6
95.05031	2.3
99.04535	2.3
107.05033	1.9
107.08691	1.3
109.06586	2.0
111.04496	0.9
111.58587	0.6
119.08673	5.9
120.05793	0.6
121.06593	1.2
123.08151	0.6
135.08136	1.6
137.09746	8.4
145.10225	3.7
147.07997	0.5
151.07642	1.1
151.11290	0.5
153.09264	0.7
161.09738	1.1
163.11284	9.9
163.98489	0.4
169.08731	1.8
181.08728	0.6
181.12346	1.1
182.33031	0.5
183.11325	0.7
199.05161	0.9
199.09720	1.1
207.10335	3.1
225.11336	4.8
243.12363	100.0
244.12665	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	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
58.00592	1.7
59.01381	7.6
59.77132	0.5
61.85036	0.5
65.03948	0.6
69.03427	1.1
70.86794	0.9
71.01379	1.7
73.02950	19.7
81.03448	1.5
83.05022	0.8
85.02958	0.8
95.05005	0.9
99.04520	1.8
107.04997	2.5
107.08685	0.5
109.06577	1.8
110.29637	0.5
111.04502	0.6
111.08139	0.6
119.08663	7.7
121.06605	0.6
125.06088	0.7
127.72431	0.5
135.08183	1.2
137.09744	7.1
139.07658	0.5
142.67285	0.4
145.10249	5.7
153.09236	0.7
163.11292	7.4
169.08681	2.1
176.03934	0.5
179.10773	0.7
181.08714	0.4
181.12303	1.3
183.10469	0.6
187.27000	0.4
199.09764	1.2
207.10228	1.4
225.11362	3.5
225.13228	0.6
229.28676	0.5
236.38177	0.4
241.10841	0.7
243.12369	100.0
244.12648	4.0
248.66972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.3
58.00586	1.7
59.01380	8.8
60.66222	0.5
60.99274	0.8
64.02256	0.5
65.03939	0.7
68.02351	0.4
69.03458	0.6
69.53240	2.1
69.53651	0.9
71.01380	2.8
73.02946	20.8
81.03461	1.6
83.05006	1.0
85.02938	0.7
95.05031	1.2
97.02963	0.6
97.06566	0.6
99.04523	2.5
107.05029	3.0
107.08673	0.6
109.06583	1.7
111.04548	0.6
115.05545	0.5
119.08684	6.8
120.05813	0.6
121.06583	0.9
135.08170	1.3
137.09732	7.5
138.10007	0.4
139.07660	0.4
145.10243	6.1
151.07635	0.7
153.09221	0.9
155.10735	0.5
161.09758	0.9
163.11275	6.9
169.08708	1.5
179.10767	0.8
181.08655	0.4
181.12341	1.5
199.09763	1.5
207.10316	0.9
225.11273	3.7
241.10703	0.5
243.12372	100.0
244.12709	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03451	1.1
59.01370	3.3
70.11202	3.5
71.05018	3.0
73.02956	1.7
76.78894	0.8
83.05000	1.3
97.02938	4.5
97.06590	2.4
99.00874	20.8
109.06619	1.6
110.03831	0.9
123.08172	1.5
125.09689	6.1
127.11308	1.5
136.05255	1.7
139.11301	2.0
142.02711	2.4
147.23880	1.0
155.14400	1.9
163.11263	8.0
181.12331	21.6
197.15498	7.3
199.13379	19.1
201.11363	1.4
207.10257	45.0
208.10568	2.4
225.11311	84.0
226.11621	4.2
238.46271	1.0
243.12346	100.0
243.16017	25.2
244.12607	4.6
244.16528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.6
61.98827	1.1
67.01896	0.9
70.62976	0.7
71.01389	0.7
71.05013	1.3
83.05042	1.0
89.81417	0.8
98.26981	0.7
99.00871	4.8
110.03732	1.0
118.70798	0.7
125.09727	2.8
155.14462	1.5
163.11270	3.1
169.12384	0.9
180.92488	0.8
181.10846	1.1
181.12334	16.1
183.10269	1.4
197.11789	2.8
199.13391	43.7
200.13707	1.6
201.11324	0.7
207.10277	12.2
208.10669	0.7
221.82599	0.6
223.19746	0.8
225.11307	24.0
225.77904	0.8
226.11607	1.0
236.58347	0.7
243.12355	100.0
244.10425	1.0
244.12633	4.8
255.07008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60931	0.8
57.03442	3.3
59.01377	45.9
61.98821	1.3
69.03411	1.1
71.05015	1.6
71.55326	1.7
72.99310	4.8
73.02946	1.0
85.15518	0.8
93.07076	2.2
100.37113	0.9
109.06597	1.2
111.00917	1.1
112.65444	0.8
120.58945	0.9
121.06549	1.0
121.10204	0.9
137.09750	1.6
137.96184	1.0
139.11295	1.4
143.05026	1.3
155.10780	2.6
175.80515	0.9
183.10258	46.5
184.10533	1.2
187.03990	1.4
197.15460	2.9
199.03978	2.6
199.13364	1.2
199.50372	0.9
201.01936	3.7
201.11310	100.0
202.11670	4.2
225.11230	3.2
228.01041	1.4
243.02974	24.6
243.12384	10.2
243.16010	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	243.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38524	0.8
57.03434	3.1
59.01380	52.0
69.03461	1.5
69.39339	3.3
69.39745	2.3
69.57724	0.8
71.05003	0.9
72.99287	5.2
93.07088	3.1
111.00900	0.8
111.08158	2.0
121.06557	1.2
121.10269	1.3
137.09691	1.9
139.11273	1.3
155.10770	3.3
159.63487	0.8
183.10252	51.2
184.10521	1.2
197.15475	2.5
199.04028	1.7
201.01939	0.9
201.11314	100.0
202.11673	2.9
225.11307	1.2
229.11174	0.9
243.02972	12.4
243.12358	9.1
243.15964	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	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03410	1.1
59.01375	7.7
59.31523	0.6
61.45634	0.8
61.98828	1.0
65.70118	0.7
70.20010	2.5
71.01380	2.2
71.05014	1.6
73.02932	2.1
75.15521	0.8
78.86178	0.7
92.68292	0.7
97.02955	2.8
99.00880	8.4
108.50175	0.7
112.08198	0.7
125.09720	4.3
127.11285	2.9
131.03510	0.7
139.11298	4.4
140.06068	0.8
155.10817	0.9
155.14360	1.3
161.09785	0.8
163.11288	4.6
179.10820	1.1
181.12334	16.4
182.12526	1.1
183.10249	7.4
197.11787	1.6
197.15463	1.1
199.13390	35.2
200.13789	1.2
201.11264	1.6
207.10239	22.8
208.10631	1.1
225.11308	48.4
226.11627	2.1
243.02975	2.1
243.12363	100.0
243.16182	2.9
244.12738	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	242.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.8
61.89875	0.7
61.98829	28.1
64.01453	0.7
66.03484	1.2
67.01886	1.4
69.31305	6.6
74.99071	1.8
75.99001	1.3
76.98760	1.0
82.06609	1.3
85.06564	1.1
99.92567	0.9
100.07679	1.3
103.92046	4.5
110.02453	1.3
111.00869	1.3
114.92860	0.9
134.89485	1.5
149.91293	1.1
154.01373	1.1
160.84193	1.2
170.15497	13.0
181.16014	1.0
198.14978	100.0
199.15266	4.6
211.09642	1.0
213.91681	1.5
225.02509	2.1
225.14883	1.7
226.02608	21.0
227.02190	2.1
242.13901	5.1
242.17532	4.7
242.21965	1.0
243.12326	2.1
243.15988	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	241.2173
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
52.62080	0.3
61.98818	1.0
62.77395	0.2
65.43469	0.3
66.03479	0.4
69.68669	1.5
81.86045	0.3
86.35722	0.3
98.20600	0.3
118.62840	0.3
130.39024	0.3
151.00533	0.3
155.99382	0.6
241.21710	100.0
242.22079	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	242.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90725	0.7
55.01876	0.7
55.38597	0.7
56.37202	0.7
59.01379	2.6
61.98829	100.0
66.03490	0.8
71.01406	0.9
82.03001	1.8
85.06608	1.0
87.00873	1.6
97.46068	0.7
98.02503	1.3
107.05058	2.8
110.02469	2.6
111.00888	1.0
112.04068	2.0
112.07677	4.9
112.98818	1.4
124.07685	1.4
126.09201	0.9
136.07687	1.6
140.07217	2.5
142.99883	1.3
152.03479	0.8
170.08195	1.1
173.01035	1.3
196.06197	2.5
198.07689	4.2
200.05634	1.2
214.07234	1.3
216.17139	0.8
217.40337	0.7
242.06680	11.6
243.06552	0.9
253.57889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1807
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
57.03452	0.4
57.91568	0.3
59.01369	1.3
61.98830	12.8
66.03475	0.4
70.41775	1.1
71.58898	0.3
71.79167	0.4
72.34376	0.4
73.02915	0.6
88.11267	0.4
103.92050	0.9
118.91868	0.4
134.89516	0.4
139.07524	0.3
142.38725	0.3
165.12839	2.3
195.13896	0.7
197.11833	0.9
197.15491	0.9
211.17026	18.6
212.17247	0.7
223.13605	0.5
223.17023	11.4
224.17296	0.8
239.16440	0.7
241.14629	3.1
241.18071	100.0
241.79384	0.5
242.18416	4.4
248.59071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1446
Annotation	Annuionone F
Peak:m/z	Relative Intensity
57.03449	9.8
60.08376	0.1
62.38020	0.1
70.92849	0.3
72.99324	0.2
73.02951	0.9
75.08728	0.1
83.05032	0.7
85.06596	0.4
115.81139	0.1
120.39218	0.1
121.06609	0.2
123.08167	2.8
134.07385	0.6
137.09727	4.0
138.10086	0.2
139.11288	1.9
149.09726	4.9
150.10045	0.2
151.07675	0.2
151.11295	1.8
158.30537	0.1
161.09726	0.5
165.12854	3.0
167.14413	1.7
177.12856	2.0
179.10750	1.4
193.12337	0.4
195.13901	38.0
196.14278	1.4
197.15492	0.3
205.12282	0.2
223.13368	0.7
239.12888	0.4
241.14450	100.0
242.14810	5.6
242.16985	0.1
242.17421	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	241.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	10.3
66.17840	0.1
72.99319	0.3
73.02963	0.8
73.03321	0.2
83.05029	0.6
85.06583	0.3
87.34606	0.2
97.06564	0.2
98.20634	0.4
109.06573	0.2
120.56770	0.2
123.08164	2.5
134.07402	0.5
135.08215	0.1
137.09727	3.4
139.07674	0.2
139.11290	2.2
149.09708	5.2
151.11279	1.8
161.09703	0.4
165.11586	0.2
165.12859	2.6
167.14386	1.7
177.12837	2.4
179.10754	1.5
193.12378	0.3
195.13890	34.9
196.14226	1.7
205.12418	0.1
223.13351	0.6
239.12885	0.4
241.14436	100.0
242.14778	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	241.0871
Annotation	RESVERATROL 4'-METHYL ETHER
Peak:m/z	Relative Intensity
57.03447	0.3
59.01361	0.7
60.64463	0.3
61.98831	5.7
67.46310	0.3
70.49996	0.9
73.84842	0.3
73.97739	0.3
79.21871	0.3
89.75430	0.3
103.92022	1.1
113.22153	0.3
149.91287	0.4
169.06544	1.1
171.49800	0.3
180.05797	1.0
181.06592	7.2
182.06953	0.4
183.04494	2.6
195.13969	0.4
197.06062	3.9
197.11877	0.3
198.06821	3.8
209.06093	0.8
225.05565	85.7
226.06259	15.9
227.06711	0.7
241.08702	100.0
241.21692	0.9
242.09010	5.1
242.17528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1082
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03450	5.5
59.01379	38.3
61.98835	1.8
69.03430	2.0
69.16113	1.3
69.16519	8.0
71.01369	1.0
72.99306	4.7
73.02941	1.1
83.05046	1.7
93.07119	4.2
98.19899	1.5
107.08656	4.5
109.06586	1.5
111.04509	2.1
119.08656	13.6
123.08141	2.9
135.08188	6.2
139.11290	11.6
141.12877	1.1
153.09230	1.2
163.07631	5.1
179.14442	1.7
181.08708	15.8
195.13931	1.6
197.11679	1.4
197.15456	44.6
198.15663	1.6
199.09749	100.0
200.10225	4.0
200.11739	0.8
241.05145	0.9
241.10927	5.0
241.14464	37.7
241.17000	2.3
242.14777	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2017
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
59.01381	22.4
61.98831	2.3
69.21282	0.5
71.01402	1.6
71.80489	0.5
73.02958	0.5
79.01916	0.8
83.01397	1.0
85.02943	1.2
87.00893	3.9
89.02505	0.6
93.03492	0.7
95.01344	1.2
96.96014	0.7
97.02960	0.7
99.00883	1.3
108.00931	0.5
113.87759	0.5
117.01951	1.4
121.06605	0.7
123.00903	1.2
125.02498	0.9
135.51495	0.5
137.09724	6.1
141.01929	0.9
151.00391	0.5
154.99869	0.5
161.04555	3.9
179.05617	22.6
179.07211	1.1
180.05916	0.9
194.99309	0.6
195.13911	2.2
202.64302	0.5
207.04160	2.1
223.02866	1.8
239.01974	0.8
239.06740	11.7
239.12975	7.5
239.20168	100.0
240.20526	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	239.2016
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
59.01109	0.9
59.01379	12.1
61.98820	0.6
69.48981	3.4
71.01376	1.3
87.00892	0.9
88.67310	0.5
92.94519	0.5
107.01358	0.5
123.00859	0.6
137.09756	2.5
141.70683	0.5
154.99878	0.9
161.04526	1.1
179.05629	7.5
194.99591	0.6
195.13919	1.1
197.79085	0.5
200.97879	0.5
207.04134	1.2
221.19174	0.7
223.02759	1.0
239.06712	6.8
239.13193	3.1
239.20164	100.0
240.20508	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	239.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55780	0.5
57.03447	3.7
59.01387	6.1
69.03455	2.9
69.03770	0.6
69.71608	2.7
69.91235	0.5
71.01381	9.3
72.02166	19.5
73.02967	1.2
81.03453	1.0
82.67085	0.5
83.05029	12.0
85.02943	2.0
87.04517	22.0
96.62399	0.5
97.06587	4.2
98.03735	7.3
99.04518	3.9
111.08164	5.0
121.02940	0.7
123.08146	1.7
125.09727	0.5
137.09705	2.3
139.11368	1.0
149.09697	2.8
151.11284	5.5
161.04459	0.7
165.12849	13.5
167.14409	10.4
168.14763	0.7
179.05621	2.4
185.15439	0.9
187.11276	1.1
195.13872	5.7
196.73819	0.5
197.15471	19.1
198.15833	1.3
201.12874	0.9
203.14384	2.2
209.15439	0.8
211.13390	1.8
211.17036	2.8
216.21030	0.5
221.15460	7.0
231.72238	0.6
239.16521	100.0
240.16832	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	239.1652
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
53.56991	0.5
57.03454	3.6
59.01376	3.4
69.03457	1.9
69.39212	1.4
69.39627	2.2
71.01379	8.0
72.02168	19.1
73.02934	1.2
81.03439	1.5
83.05023	9.9
85.02966	1.8
87.04511	20.2
95.04997	0.5
97.06577	4.9
97.64710	0.5
98.03731	6.7
99.04518	4.4
109.06493	0.6
111.08179	4.6
123.08155	1.3
135.08147	0.7
136.94774	0.5
137.09697	1.3
139.11299	1.7
149.09764	2.4
151.11275	4.4
165.12837	10.3
167.14403	9.7
168.14751	0.6
179.05585	1.3
185.15398	0.9
187.11255	1.0
195.13885	6.2
196.69040	0.5
197.15454	17.4
198.15872	0.6
201.12952	0.6
203.14392	1.6
209.15471	1.1
211.13361	1.7
211.17067	2.8
221.15482	6.4
239.16507	100.0
240.16849	4.4
255.49272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
57.47751	0.5
59.01380	6.4
61.11069	0.5
61.98826	2.4
66.33858	0.5
69.56490	3.3
72.12732	0.5
87.00872	1.2
88.99236	0.5
91.52951	0.6
92.53519	0.4
95.05041	1.6
95.76481	0.5
98.20631	0.7
101.06077	6.1
103.76942	0.5
109.06572	5.2
111.08150	5.4
122.03732	0.8
125.09710	0.8
137.09702	0.5
138.06853	0.7
139.04013	13.9
154.06351	33.0
161.04572	1.2
167.14404	8.8
179.05602	7.0
179.10799	5.0
180.11224	0.7
182.05827	3.8
195.13893	100.0
196.14207	4.3
228.32481	0.5
239.12871	10.6
239.16476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	3.1
66.44476	0.6
69.67518	1.1
69.67928	2.2
71.05024	22.8
72.02180	1.1
80.02666	0.7
83.05048	1.6
84.13390	0.7
85.41400	0.6
87.04525	1.8
94.63509	0.6
95.01398	1.2
95.05052	2.3
98.03773	1.0
101.76548	0.7
107.05028	9.6
107.08699	2.8
108.02180	4.2
109.02934	1.0
109.06588	1.3
111.04529	1.4
119.05060	0.8
121.02982	3.3
121.06590	1.2
122.03744	9.7
123.04533	100.0
124.04823	2.9
125.02454	0.7
132.93001	0.6
135.04475	0.8
137.06097	16.7
143.04971	0.7
148.05287	5.7
149.09735	1.4
159.08159	5.7
167.03479	6.4
177.09213	82.0
178.09570	3.3
179.05629	1.8
195.10196	0.8
197.15482	1.3
221.08176	1.7
239.09250	55.3
239.16470	5.2
240.09578	2.7
253.18042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87048	0.9
59.01380	100.0
59.34209	0.9
63.11054	0.8
69.01586	0.9
69.03432	1.0
71.01382	4.6
73.02930	2.1
83.01401	1.3
85.02948	3.4
87.00879	21.8
89.02446	3.1
97.02940	1.9
97.61457	1.0
98.20641	2.4
99.00893	3.3
101.02434	2.8
117.01920	4.0
117.03412	1.2
125.02418	2.8
137.09688	1.8
138.00713	0.9
141.01923	1.9
152.63063	0.9
161.04556	20.1
179.05608	96.1
180.05956	3.6
223.02841	1.0
239.05704	1.3
239.12868	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	237.186
Annotation	Hanamyol
Peak:m/z	Relative Intensity
50.72542	0.2
55.18698	0.3
59.01365	0.9
59.26198	0.2
61.98829	0.3
70.55153	0.8
84.15353	0.3
97.06586	0.7
113.48210	0.2
118.01968	0.2
154.81712	0.2
163.54199	0.3
210.50076	0.3
219.17561	0.7
237.18587	100.0
238.18913	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	239.0559
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
51.83826	0.2
52.48438	0.2
57.03444	1.9
59.01379	5.6
59.86523	0.2
61.38791	0.2
65.00323	0.8
65.03970	0.2
67.01890	0.6
68.99842	0.2
69.03449	1.1
70.40789	0.7
71.01376	1.1
73.02957	0.4
74.99088	0.2
75.00884	0.2
78.65882	0.2
79.01889	0.3
79.05540	0.2
80.02660	0.2
80.64642	0.2
81.03456	10.0
82.89085	0.2
83.01385	8.6
83.05029	0.4
85.02964	0.7
87.00875	0.6
89.49404	0.2
93.03451	2.6
95.01386	3.5
95.05030	7.8
96.05399	0.3
97.02950	5.6
99.00928	0.2
99.04532	1.7
107.01405	0.8
107.05042	3.2
108.02186	0.2
109.02959	2.0
109.06596	0.8
111.00888	0.6
111.04522	2.8
113.02447	2.0
113.27662	0.2
116.03738	0.2
118.57589	0.2
121.02967	0.6
121.06644	0.4
122.03727	1.1
123.04526	38.6
124.04864	0.9
125.02447	17.6
125.05994	0.2
135.00859	0.4
135.04520	2.2
136.05338	0.2
137.02444	9.8
137.06081	6.2
137.09705	0.4
138.03230	0.3
139.04025	1.0
149.02432	0.5
149.06087	4.0
150.03259	0.3
151.00398	1.8
151.03999	3.2
151.07590	0.2
152.04782	0.3
153.05606	1.3
155.03503	5.2
161.02417	0.8
161.04565	0.6
161.74930	0.2
163.00352	3.2
163.01660	0.2
163.04010	0.2
165.01924	1.2
165.05548	0.8
167.03493	100.0
168.03819	3.2
175.04100	0.2
177.01912	0.4
177.05545	2.2
179.03497	32.3
179.05557	2.4
180.04161	2.1
181.01498	0.3
181.05087	1.5
190.99883	0.7
193.05054	9.2
194.05336	0.2
195.06552	1.1
197.04555	10.3
198.04907	0.4
203.03532	0.3
206.02223	1.2
209.01009	0.3
209.04559	4.1
212.03264	0.5
221.00970	0.6
221.04530	10.6
222.04810	0.4
223.02711	0.3
239.05595	97.5
240.05928	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	237.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
56.41811	0.2
57.08742	0.2
59.01372	0.7
61.98818	0.7
67.01884	0.2
67.43636	0.2
68.76157	0.2
70.59225	0.6
77.45053	0.2
80.02677	0.2
81.03468	1.4
83.05025	0.3
96.96004	0.6
107.05011	1.2
109.06596	1.0
109.61162	0.2
109.76943	0.2
120.26891	0.2
121.06594	0.7
125.09703	1.2
175.14886	0.3
177.12860	0.3
181.12279	0.3
191.14389	0.3
193.15964	100.0
194.16293	5.6
199.85033	0.2
204.65405	0.2
231.60947	0.2
237.14952	33.5
238.15297	1.7
240.39792	0.2
244.68681	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
58.96062	0.4
59.01366	1.4
61.98831	1.6
70.71998	0.7
107.05024	0.3
111.08167	0.9
116.92838	0.7
121.06597	1.3
123.08133	0.7
191.14391	0.7
193.15968	100.0
194.16322	3.8
230.08542	0.4
237.14958	29.2
238.15315	1.2
239.69482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	67.6
59.01382	4.4
64.69285	0.8
66.91161	0.7
69.51006	5.3
69.51331	1.2
71.01380	5.2
72.02163	5.0
73.02950	1.0
81.07113	3.0
83.05022	27.0
85.02905	0.7
87.04513	100.0
88.04865	1.7
95.05037	3.7
97.06584	18.9
98.03747	4.0
98.19894	1.4
109.06580	2.4
113.06095	9.5
121.06598	3.3
123.08192	2.1
125.93156	0.8
135.08141	3.1
137.09717	31.9
137.71051	0.8
138.10110	1.1
139.07654	2.5
149.09702	1.9
151.11240	2.0
153.09207	17.0
161.09746	2.1
163.11263	2.3
165.12845	14.7
175.11221	0.9
177.12886	1.5
179.10721	1.7
193.12321	1.2
195.13882	9.1
204.11539	1.0
209.15419	1.6
219.13954	6.2
237.14951	72.0
238.15266	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1496
Annotation	Oxyphyllenodiol B
Peak:m/z	Relative Intensity
55.39860	0.7
57.03448	57.6
59.01380	3.4
70.82195	1.6
71.01378	6.2
72.02170	5.6
81.03488	0.7
81.07064	3.3
83.05025	25.2
85.02937	1.0
87.04514	100.0
88.04855	1.4
95.05031	2.4
97.06583	19.6
98.03738	4.2
109.06598	1.6
111.08116	0.9
113.06075	10.0
121.06578	2.1
123.08179	1.0
133.53786	0.8
135.08168	3.2
137.09724	25.4
139.07678	2.3
149.09749	1.2
151.11279	1.9
153.09200	17.6
161.09726	1.1
163.11308	1.5
165.12840	11.7
177.12834	1.8
179.10788	1.1
193.12273	1.7
195.13864	7.4
204.11592	0.9
217.47954	0.6
219.13860	5.6
237.14948	65.4
238.15320	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	237.1495
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
59.01376	58.6
61.98831	32.7
69.03452	19.1
69.47591	2.4
69.48004	8.1
71.01372	3.6
95.05064	2.4
97.06584	49.3
98.06920	2.0
111.08129	1.9
121.10224	6.7
122.03731	2.0
123.08157	54.5
136.89061	1.7
139.07661	8.9
147.11783	10.1
167.07101	6.1
173.95201	1.7
175.14883	10.1
179.10751	6.1
183.06627	2.6
190.67191	1.5
193.15921	4.1
199.85075	2.4
219.10585	1.7
219.13876	5.8
224.38989	1.7
237.14938	100.0
238.15283	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	237.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03448	1.9
58.20563	0.4
59.01381	1.2
64.88997	0.4
70.68513	0.9
70.68828	0.5
71.01380	1.4
72.99275	0.8
73.02950	0.5
74.99100	0.8
75.00876	1.1
83.01409	0.6
85.02960	4.1
87.00880	100.0
88.01210	1.1
89.02463	0.8
90.98618	0.8
92.84002	0.3
97.02964	0.4
99.00878	0.8
101.02444	0.9
105.03802	0.9
107.03381	0.8
109.02985	0.4
111.00861	0.6
115.00371	0.7
120.99677	1.3
129.01950	12.9
143.57687	0.4
147.03030	0.7
149.02522	1.2
149.06163	0.5
179.00301	0.5
181.55484	0.4
193.01477	1.2
219.05110	0.8
237.00606	0.4
237.04132	1.7
237.06207	6.3
237.15059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1495
Annotation	Canusesnol H
Peak:m/z	Relative Intensity
57.03447	28.2
59.01380	9.1
61.46437	0.8
69.03461	1.1
71.01379	2.6
71.16299	0.8
71.16658	1.5
72.00891	0.9
72.25179	0.8
73.02944	13.6
76.71495	0.9
83.04566	1.6
83.05025	18.5
85.02946	51.9
86.03257	1.5
87.00878	3.3
87.04513	13.2
95.05016	1.4
97.02930	1.2
97.06564	5.5
98.03740	21.7
99.04507	3.9
108.05828	1.6
109.06617	5.2
113.06084	1.3
120.04514	0.9
121.03019	0.9
121.04887	2.1
121.06605	2.2
123.08165	7.8
129.02010	1.1
133.06516	1.3
134.07384	0.9
135.08118	3.6
137.09720	10.6
139.07684	0.9
139.11333	2.2
147.08177	1.0
148.04909	2.1
148.08926	4.2
149.09680	6.5
151.11263	2.2
153.09193	3.8
161.09703	1.7
163.11284	92.1
164.07129	3.2
164.11610	4.5
165.07501	9.8
165.12830	6.0
175.11249	4.6
177.12833	4.0
179.10913	1.3
193.06862	1.4
193.12401	2.7
193.15976	2.5
195.13895	68.9
196.14211	3.7
201.12943	1.9
209.15480	6.5
219.13899	8.7
237.05835	1.4
237.14957	100.0
238.15273	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	237.0615
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
50.11253	0.4
57.03447	1.4
59.01374	1.0
65.76752	0.3
71.01388	0.6
71.22963	0.7
83.59154	0.3
85.02950	1.6
87.00874	100.0
88.01185	0.7
95.52416	0.4
111.00837	0.7
124.11426	0.4
129.01936	10.9
147.03015	0.4
219.05173	0.9
237.06137	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	236.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78473	0.2
59.01378	1.1
60.15268	0.1
61.98833	0.8
79.63655	0.1
94.03024	0.2
98.20763	0.3
99.92602	0.2
110.41475	0.1
112.44019	0.2
116.92818	0.2
134.03693	0.5
134.89484	0.4
135.04517	0.5
136.05238	0.4
148.05304	7.0
149.05890	0.3
149.09744	0.9
162.06865	0.3
164.07124	0.3
175.07637	0.4
176.08395	0.6
177.09200	36.5
178.09518	1.2
190.09987	1.4
191.10760	0.8
192.11549	28.7
193.11905	1.3
199.85062	0.4
201.09163	0.5
203.07146	0.4
216.19000	0.1
217.08713	2.9
218.09453	7.0
219.09825	0.5
221.08391	0.2
236.10519	100.0
237.10890	5.3
237.14755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25484	1.1
59.01366	4.0
70.66674	1.0
71.01379	14.1
72.00900	5.4
77.01280	1.2
83.83411	1.3
103.05540	4.3
115.00378	34.2
118.06664	1.2
119.05088	1.4
120.04559	100.0
121.02960	24.6
121.04914	3.0
130.06578	1.3
146.06119	1.3
147.04518	17.5
148.07669	9.7
150.07236	1.3
150.93190	1.2
164.07164	97.7
165.07454	3.8
174.05624	16.8
178.09549	1.4
179.03505	1.8
192.06662	39.9
193.07143	1.3
218.04602	4.8
235.76308	1.2
236.05649	64.8
237.06023	3.8
240.70340	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.0
58.03760	0.7
59.01371	1.8
61.98812	0.5
69.54441	1.9
69.54858	1.1
71.01383	2.2
72.00909	10.1
73.02944	4.8
79.55970	0.5
85.02917	0.8
87.00878	0.9
88.42881	0.5
91.05527	1.4
98.20647	0.7
101.02433	0.7
103.03999	0.6
103.05547	2.0
118.97457	0.5
120.04594	1.0
121.15785	0.5
131.03493	1.5
135.04517	6.1
135.08139	0.5
147.04529	36.9
148.04836	1.2
155.03491	4.2
164.07167	100.0
165.07523	3.8
178.09511	2.7
179.03506	7.6
192.06665	2.2
192.11119	0.8
194.12691	0.7
236.05681	1.1
236.13823	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1704
Annotation	1R,4S,6R-1,4-endoperoxy-bisabola-2,10-diene
Peak:m/z	Relative Intensity
59.01384	8.1
61.98823	1.5
62.54428	0.3
70.01746	1.3
70.02102	0.3
71.01392	0.5
73.02943	2.4
79.95753	0.8
82.59445	0.3
99.80337	0.2
106.10275	0.3
134.89496	1.8
147.00922	0.4
147.05852	0.3
163.00374	0.3
191.07104	0.7
199.85101	1.5
207.14006	0.4
207.95155	0.3
234.81989	0.6
234.97636	0.4
235.17041	100.0
236.17351	5.0
238.71037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1339
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
51.87770	1.1
55.01880	5.8
59.01382	58.0
61.98827	17.8
69.19687	11.5
71.01390	2.5
79.95745	2.3
82.24487	1.0
83.79544	1.1
85.02977	3.4
94.03005	1.5
98.20602	2.6
99.92567	3.7
101.02420	1.7
109.06571	1.6
111.08182	8.5
112.45073	1.3
115.92057	1.7
120.05851	1.3
121.02957	3.2
121.06587	2.0
134.89488	16.4
135.04448	1.3
136.05301	9.5
137.06097	4.0
147.04532	1.5
147.08171	2.5
148.93901	2.9
149.09669	3.9
151.07648	65.4
152.08041	1.7
162.89285	1.3
165.05542	1.6
189.85138	1.8
191.14413	100.0
192.14737	4.8
193.96201	1.5
199.85094	13.6
199.94206	1.4
200.85208	2.3
207.95258	2.9
234.81985	5.7
234.97639	1.7
235.09906	4.1
235.13403	52.8
235.16995	16.0
236.10530	2.3
236.13681	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	235.1338
Annotation	Ailanthoidiol
Peak:m/z	Relative Intensity
57.03448	20.3
59.01377	17.7
69.03458	2.7
69.51112	3.8
69.51436	0.9
71.01371	3.5
71.05008	0.6
73.02931	2.9
83.05026	2.5
85.02941	5.7
95.05032	2.0
97.06590	1.2
99.04504	8.8
101.02464	1.1
105.07104	1.3
107.05057	0.7
108.05823	0.7
109.06585	6.4
111.04488	0.6
113.06049	1.2
113.66201	0.5
121.06609	4.3
121.10254	0.5
123.08150	3.1
125.06037	1.1
133.06587	2.1
135.07205	1.0
135.08154	10.6
137.09720	13.3
138.10114	1.1
147.08163	1.3
148.08969	1.6
149.09706	11.7
151.07619	1.3
159.08131	1.5
161.06084	1.4
161.09663	0.9
163.11282	37.0
164.07152	1.5
164.11649	1.5
165.12726	0.9
175.07603	3.8
175.11264	2.3
177.09200	100.0
178.09532	5.2
179.92317	0.5
191.10765	29.5
192.11162	1.6
193.12318	15.3
194.12717	0.6
199.11319	1.7
201.09178	1.5
202.10008	0.7
217.12299	10.0
220.11232	0.9
235.13382	23.8
236.13681	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	235.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17929	1.3
54.22763	1.1
55.01879	9.6
57.03450	29.2
58.00586	3.1
59.01380	76.6
69.03455	3.4
69.66631	5.0
69.67046	1.7
71.01380	69.5
71.05028	1.6
71.54714	1.2
72.00913	1.9
72.99301	4.6
73.02948	34.3
73.06593	2.4
76.89280	1.3
83.01388	19.2
83.05016	2.0
84.35406	1.0
85.02951	44.6
86.00105	1.5
87.00889	1.7
87.04518	1.2
89.02443	4.0
93.17352	1.1
93.68793	1.2
95.01396	4.8
95.05039	1.2
96.06561	1.2
97.02924	2.2
98.20682	1.3
99.00880	12.6
99.04527	9.0
101.02441	76.3
102.02813	1.9
104.66329	1.1
105.07105	1.5
109.06579	8.3
111.00862	3.1
113.02448	29.3
116.34341	1.1
119.04991	2.2
121.06606	3.2
123.08152	3.2
129.01950	2.1
133.06604	2.3
135.08163	9.3
137.09717	15.7
143.03510	2.2
143.38631	1.1
147.04515	6.8
148.08908	2.6
149.02452	1.7
149.09712	10.1
159.02965	6.3
159.08128	2.4
161.04564	19.8
161.05965	1.8
163.04010	1.5
163.11293	39.9
164.07153	19.8
164.11592	1.3
166.97441	1.1
175.07675	3.8
175.11246	2.3
177.09207	100.0
178.09544	4.4
179.03479	2.1
191.03474	3.4
191.10776	29.7
192.10928	1.4
193.12331	12.5
199.11333	1.8
201.09212	1.1
202.09912	1.2
217.12325	11.5
235.06114	2.0
235.11746	16.6
235.13425	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	235.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54687	0.3
54.51650	0.5
55.01882	0.4
57.03442	3.9
58.29724	0.3
58.99601	3.4
59.01377	14.9
61.98824	2.6
69.03445	0.7
71.01379	4.2
73.02939	1.7
79.62452	0.4
83.01398	1.1
85.02962	2.5
87.00869	2.5
89.02444	0.4
95.01413	0.5
99.04515	1.8
101.02417	3.0
103.02229	5.2
105.03793	100.0
106.04131	1.6
109.06595	1.5
111.00919	0.4
113.02467	1.5
116.36909	0.4
121.06625	0.8
123.08134	0.7
126.45722	0.4
129.01895	0.4
129.03738	0.5
133.06567	0.8
135.04547	0.7
135.08160	1.7
137.09705	2.1
147.04634	1.0
149.09724	2.1
151.07713	0.4
161.02432	0.4
161.04655	0.4
163.11279	6.8
164.07173	0.6
175.04312	5.5
175.07611	0.8
177.09200	15.6
178.09557	0.5
191.07147	0.6
191.10776	5.1
191.12401	0.5
193.05379	19.7
193.12329	2.3
194.05807	0.7
199.11377	0.4
201.09285	0.5
217.12326	1.6
219.10387	0.5
235.02574	0.6
235.06369	3.0
235.09865	0.7
235.13637	3.7
235.15764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1186
Annotation	n-Butyl-beta-D-fructopyranoside
Peak:m/z	Relative Intensity
55.01881	13.4
57.03448	9.6
58.00581	4.9
59.01382	88.0
70.06113	5.0
71.01384	87.0
71.01965	1.7
71.05019	3.0
72.99293	5.0
73.02948	39.6
73.06580	4.0
75.00878	2.2
83.01389	27.3
85.02951	47.9
85.21957	1.2
86.00105	3.8
87.00869	4.3
89.02426	4.1
95.01402	6.3
95.94864	1.2
97.02901	1.9
99.00880	14.3
101.02444	100.0
102.02768	2.1
111.00909	2.6
112.33331	1.2
113.02451	35.8
125.02365	1.7
129.01927	3.1
143.03493	2.5
143.07095	1.4
159.02946	7.2
161.04578	23.8
164.07031	1.2
235.09541	2.5
235.11852	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1136
Annotation	10-Hydroxydarlingine
Peak:m/z	Relative Intensity
52.42216	0.2
59.01381	0.4
70.87219	0.3
77.76723	0.2
78.49985	0.2
93.03468	0.3
101.94090	0.2
117.03484	0.2
118.04264	0.2
119.05027	100.0
120.04537	0.4
120.05346	2.3
125.12872	0.2
132.05795	0.3
144.04536	0.3
162.05626	0.4
188.96359	0.2
192.10329	0.7
234.11345	35.0
235.11642	1.4
246.95569	0.2
248.78836	0.2
253.08476	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.5
59.96716	0.5
60.97515	0.4
67.01894	0.3
71.01392	0.2
71.17533	0.4
74.99066	6.7
75.96244	0.3
91.02217	0.6
93.00117	1.6
93.03442	1.5
118.96214	1.1
134.99390	6.1
136.97284	1.6
141.07440	0.4
143.05348	1.0
149.00949	62.6
150.00906	2.6
150.98868	0.8
159.08455	2.1
161.06404	2.8
173.04546	1.8
178.49263	0.2
187.61264	0.2
188.98451	0.2
200.50961	0.2
201.04053	0.2
210.36212	0.2
215.05627	1.0
215.09216	0.3
217.07187	86.9
218.07300	4.5
233.10316	100.0
234.10472	6.5
234.15767	0.4
239.30774	0.2
241.31975	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99769	1.7
57.03443	13.1
59.01379	100.0
67.01899	5.6
68.92917	2.0
68.99825	5.6
70.69173	3.3
70.69518	4.0
71.01382	50.2
73.02943	11.2
81.34148	1.7
83.01388	11.1
85.02954	11.5
86.32907	1.8
87.00886	4.4
93.03456	5.6
99.00879	29.1
101.02448	6.4
111.00890	18.8
115.00343	2.0
124.31503	2.0
129.01941	34.1
143.70503	1.9
145.01462	3.7
160.89383	2.3
163.58194	2.3
173.00876	6.2
173.04510	7.9
233.06508	3.3
233.15421	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	233.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43674	2.1
57.03450	13.3
59.01378	100.0
67.01878	4.6
68.99802	5.6
69.42265	13.0
71.01379	50.7
72.99313	4.8
73.02938	13.3
83.01377	14.3
84.00896	1.8
85.02927	13.4
87.00850	2.5
93.03452	6.2
98.19839	3.4
99.00880	36.5
101.02441	2.4
111.00269	2.4
111.00893	22.8
120.48389	1.9
129.01938	29.7
145.01332	2.1
173.00879	3.9
173.04562	10.1
220.84932	1.9
233.06612	3.6
233.15443	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	232.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
57.03448	1.0
59.01381	28.2
71.01358	2.8
71.53484	1.1
72.04552	15.2
72.99327	1.8
73.02947	17.8
74.02470	2.4
75.18997	1.0
78.95904	1.7
79.19679	0.9
84.04552	9.3
85.02936	5.7
86.06181	1.0
87.92536	1.6
88.04025	1.9
93.03442	3.8
96.96015	2.1
96.96973	1.1
99.00859	1.2
102.05614	100.0
103.02094	1.5
103.04015	60.7
103.05917	1.5
104.03518	1.2
109.01704	2.0
112.07681	2.7
114.05525	1.2
114.09253	18.2
116.07165	5.3
118.36316	1.1
126.09246	3.7
127.36366	1.0
128.03546	72.8
130.05090	1.5
137.10944	1.1
140.07147	5.6
146.04631	11.4
153.06671	3.0
158.08234	29.4
160.06049	1.2
170.08218	6.7
173.04547	5.5
184.06174	9.1
186.07501	2.8
188.03772	1.2
188.09258	13.2
196.06140	5.4
202.07234	5.5
214.07204	20.2
232.08250	96.2
233.04620	2.0
233.06628	1.2
233.08501	2.5
233.10529	7.7
233.15410	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	231.1349
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
59.01373	3.7
61.16656	0.5
61.98820	1.0
69.96268	2.6
71.01382	1.2
72.99300	3.5
73.02974	0.9
73.04069	15.0
86.86717	0.7
87.00897	0.7
87.92516	1.5
96.04533	0.9
107.04983	0.8
112.07705	0.6
114.00194	1.8
115.00489	1.9
115.99753	0.7
116.07205	1.2
116.72179	0.6
130.08734	84.2
131.09103	1.5
132.98245	1.4
141.10278	0.7
142.03316	1.2
143.03612	2.4
143.11894	23.6
151.04015	2.5
170.88322	0.7
187.02586	1.2
187.10870	100.0
188.11243	2.9
188.97214	3.5
206.50557	0.6
223.69016	0.7
230.99623	1.3
231.01584	3.0
231.08649	1.9
231.13475	33.3
232.00876	0.7
232.13858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.9921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58118	0.2
59.01379	3.7
70.55121	0.6
71.01399	0.2
75.48982	0.2
93.03458	0.8
106.03001	0.2
107.03760	0.2
111.76950	0.2
114.05621	1.7
122.03745	6.1
143.82712	0.2
152.03532	100.0
153.03899	2.3
168.26251	0.2
169.01476	0.3
173.04579	0.9
231.99193	10.5
232.10504	0.2
233.08278	0.5
233.15430	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	230.0128
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
53.08200	0.8
71.29475	1.3
71.29827	2.0
73.01160	6.0
73.04068	0.9
80.05066	2.3
80.61512	0.9
82.02975	5.3
94.28442	1.0
96.04551	29.3
98.99099	5.7
108.04548	26.0
114.00190	85.7
115.00548	2.5
129.92155	0.9
130.08734	6.3
142.03320	100.0
143.11887	2.4
186.02298	44.2
187.02625	1.7
187.10872	5.8
212.22083	0.9
230.01257	100.0
231.01500	2.5
231.13441	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	230.9968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11249	0.5
55.31379	0.5
57.79961	0.5
58.44340	0.5
59.01383	4.1
61.98861	0.7
71.01403	0.7
71.53938	0.7
72.99297	1.1
73.02953	0.6
79.95714	3.7
80.96540	2.2
81.03456	1.3
85.02943	0.6
85.19759	0.6
87.00883	1.1
87.92535	2.5
93.03467	2.3
95.01379	0.7
95.95234	3.6
96.17265	0.5
96.96014	1.4
97.06581	0.7
104.91970	0.6
106.04247	2.5
107.05033	42.2
108.02206	1.1
108.05368	1.2
109.06638	0.6
115.03995	0.6
118.03029	0.6
121.02963	0.9
123.04549	2.8
151.04010	100.0
152.04370	2.6
165.62187	0.6
169.08669	0.6
187.00648	3.0
193.54602	0.6
230.15854	0.9
230.99678	70.5
231.08699	2.0
231.12247	0.7
231.16026	0.9
232.00015	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03444	1.0
59.01376	1.2
66.45186	0.4
69.18149	1.7
69.18579	1.9
71.01365	0.4
83.05023	0.8
85.02943	1.3
87.72187	0.4
97.06583	0.5
123.70419	0.4
125.06114	0.5
125.09728	1.5
127.11255	3.6
129.09213	1.6
136.78783	0.4
137.09663	0.4
139.11226	0.5
153.12907	0.5
155.10773	4.1
155.14398	1.2
163.11249	0.4
163.86346	0.3
165.12854	0.5
167.14383	2.1
171.10287	3.2
174.86916	0.3
181.12358	2.9
183.10292	0.9
183.13916	1.4
185.11594	0.4
193.12325	1.1
199.11700	0.6
199.13393	6.4
201.11317	1.7
209.11827	2.7
211.11800	0.3
211.13374	11.4
229.14427	100.0
230.14745	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39537	0.3
57.03442	1.4
59.01376	10.8
63.89326	0.3
64.33486	0.3
71.01373	1.0
71.05011	0.7
71.31725	0.3
71.54934	0.3
83.05025	0.5
84.02153	1.1
85.02932	1.3
95.04986	0.3
97.06597	2.9
125.06082	6.5
125.09719	3.9
127.11276	3.9
139.11287	0.4
141.69234	0.3
150.43877	0.3
150.46309	0.3
153.12946	0.3
155.14445	2.2
165.12865	0.8
166.42329	0.3
167.14403	1.3
171.10220	0.4
183.13919	0.5
185.06073	0.4
185.15334	0.6
206.43202	0.3
209.11807	1.7
211.13396	3.6
229.14418	100.0
230.14767	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	229.0869
Annotation	Diorcinol
Peak:m/z	Relative Intensity
50.51126	0.5
56.11360	0.5
59.01368	0.8
61.98831	0.9
67.26537	0.5
71.01328	0.5
75.59946	0.5
88.15434	0.5
98.20686	1.1
99.92592	3.4
108.02179	0.6
115.92072	0.9
116.92845	1.4
130.04272	0.8
130.13287	0.6
143.84683	0.5
145.01881	0.9
145.02962	10.8
146.03702	2.0
156.89551	0.5
161.02463	0.5
161.77177	0.5
171.91431	0.5
173.02420	5.7
174.03204	35.5
175.03545	1.4
178.02670	1.8
206.02184	32.2
211.13318	0.6
214.06400	0.7
229.08684	100.0
229.14429	3.5
230.09015	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	229.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05524	0.9
85.38077	0.3
91.94355	0.4
106.02007	0.4
109.62188	0.3
111.45002	0.4
139.76120	0.4
143.05063	0.6
145.06563	1.6
155.08618	0.7
157.06609	1.1
169.06578	34.3
170.07309	2.8
183.08138	4.2
184.08340	0.4
185.09703	100.0
186.10069	5.0
229.08685	58.8
230.09032	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	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03446	1.6
59.01355	0.4
70.66606	0.6
71.01389	0.2
71.05020	0.5
78.43372	0.2
83.05036	0.3
83.49662	0.2
84.02163	0.3
85.02947	0.9
97.06615	0.5
105.84302	0.2
110.50500	0.2
125.09731	2.7
127.11288	4.2
155.14426	1.6
165.12828	0.6
167.14368	1.2
171.10269	4.0
183.13849	0.8
200.04791	0.3
201.14992	0.2
202.12958	0.2
209.11789	2.8
211.13393	7.8
229.14424	100.0
230.14749	4.0
230.16866	0.4
245.57846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.42490	0.3
57.03438	0.6
61.98836	0.8
66.87680	0.4
68.53070	0.3
70.72732	0.7
95.01412	0.4
97.06560	0.4
99.00914	0.4
99.92574	1.9
111.00912	0.5
111.08155	1.3
112.98544	0.6
115.07648	0.5
116.56689	0.4
127.94424	0.4
132.37817	0.4
139.11316	0.9
165.12846	18.6
166.13174	0.7
169.04102	0.8
180.83151	0.9
183.13899	100.0
184.14304	3.5
197.03568	0.8
199.75005	0.4
209.11830	2.4
226.80247	0.6
227.04561	1.4
227.12877	25.4
227.16518	1.1
227.20097	2.5
228.13197	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0877
Annotation	N-Hydroxy-meIQX
Peak:m/z	Relative Intensity
59.01365	1.5
60.88178	0.6
69.52391	2.6
70.02977	0.9
71.01382	6.6
74.41322	0.5
79.08393	0.5
88.04038	100.0
89.04365	1.1
89.95258	0.5
92.44379	0.6
96.99306	1.8
112.07671	2.2
113.05360	0.9
113.06078	10.0
114.01965	7.0
114.05598	0.6
114.06340	0.7
115.00369	13.8
132.03024	66.7
133.03389	0.6
166.08731	1.1
184.09737	3.5
210.07698	1.9
228.08763	25.4
229.09050	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0869
Annotation	Demethylsuberosin
Peak:m/z	Relative Intensity
59.01373	0.2
61.98822	0.6
66.99860	0.2
69.72593	1.2
83.33362	0.2
98.20598	0.4
99.92603	0.7
116.92862	1.6
123.04528	0.2
130.03270	0.4
130.04248	8.0
131.04585	0.3
138.72154	0.2
138.90993	0.3
144.40596	0.2
145.02968	1.2
146.03734	2.0
151.98877	0.2
156.92079	0.4
173.02441	5.2
174.03217	46.6
175.03535	1.7
178.02780	1.1
206.02197	29.1
207.02525	1.1
213.05623	1.0
214.06317	1.6
229.08690	100.0
230.09033	5.6
230.10770	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	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
63.42842	0.4
64.98597	0.4
65.21423	0.3
70.22594	0.7
70.22974	0.7
71.01356	0.5
71.05005	0.7
79.73968	0.3
80.02669	1.6
81.03452	1.7
83.05024	6.2
84.02161	3.9
95.05030	1.1
103.82245	0.4
120.95313	0.3
121.42298	0.4
125.06078	0.9
125.09798	0.5
131.25925	0.4
135.08138	0.7
153.94907	0.4
163.11284	5.7
165.12836	3.3
175.73837	0.3
181.12341	0.9
183.13878	0.5
191.10764	1.2
209.11815	100.0
210.12140	4.4
227.03120	0.5
227.12862	4.8
227.20135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.4
59.01368	1.1
61.98798	0.4
67.01878	1.0
68.99820	0.8
69.34165	3.3
71.05010	0.6
81.03448	0.6
83.01386	0.5
83.05023	1.8
85.74133	0.4
93.03432	0.6
95.01407	1.2
95.05004	0.6
97.06586	2.1
99.92553	0.8
111.00878	0.9
111.08155	3.8
139.00334	1.0
139.11269	1.2
140.29826	0.4
148.54121	0.4
154.99887	0.8
163.11237	1.5
165.12839	23.4
166.13194	0.9
181.12372	0.9
183.13893	28.3
184.14249	1.0
185.13239	0.7
199.13538	0.4
209.11816	24.9
210.12086	0.9
227.12874	100.0
227.20142	3.1
228.13206	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	227.0926
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
57.03445	8.7
59.01382	51.5
60.99299	0.6
69.03456	0.9
70.44180	0.6
70.44507	0.9
71.01381	1.6
80.63133	0.5
80.97962	0.5
81.03502	0.7
83.01414	0.7
85.02970	0.7
86.49497	0.5
89.62257	0.4
93.03501	0.8
95.01405	0.8
95.05043	4.7
96.95953	0.6
97.02945	1.4
97.06622	0.5
98.02462	0.8
99.00894	2.0
106.04266	0.9
107.05035	3.1
107.73431	0.5
108.02178	1.1
109.02937	5.9
109.06614	2.1
111.00880	1.4
112.04053	1.4
112.98795	3.8
121.06602	2.0
123.04551	2.5
123.08162	1.6
125.02438	0.5
125.06111	1.4
129.01932	1.0
137.02452	0.7
139.07654	1.4
140.90387	0.4
142.99931	0.6
145.66182	0.4
147.08150	2.0
149.06078	3.1
150.06860	0.7
151.03938	0.4
163.07632	1.6
165.01964	0.6
165.09216	24.2
165.12901	0.6
166.09552	0.7
167.07137	11.3
168.00574	0.5
173.00925	1.8
178.73048	0.4
179.03487	1.2
183.02991	0.6
183.13861	1.5
204.83327	0.5
209.08211	1.8
227.09247	100.0
227.20183	2.1
228.09549	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	226.9963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15862	1.8
50.41093	1.4
50.71742	1.4
52.66167	1.4
57.03448	13.8
59.01369	6.7
61.03201	1.4
66.84985	1.5
68.99821	3.3
69.64989	3.7
69.65393	5.5
71.01383	31.2
72.99307	2.1
73.02932	6.7
77.87732	1.6
83.01386	9.1
85.02956	13.4
87.00863	5.2
96.96039	1.9
97.06597	1.5
99.00874	33.0
101.02428	2.4
111.00886	38.2
112.04085	2.7
112.98810	100.0
114.01952	3.1
114.05596	2.9
115.00365	2.7
129.01956	22.5
130.08708	4.0
131.01939	2.9
139.07584	2.8
142.99854	9.3
167.07059	3.0
173.00919	31.4
183.13843	4.1
190.94260	5.2
191.01929	5.6
208.98462	2.1
226.99596	11.5
227.12866	4.4
227.20120	6.7
241.75102	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	225.1861
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
51.88506	0.3
53.15131	0.3
54.95231	0.3
59.01369	0.5
61.98832	13.8
65.00317	1.0
68.99828	0.4
69.86248	1.2
79.21882	0.3
79.62153	0.2
93.03459	3.4
95.15394	0.3
101.20731	0.3
126.90501	1.2
134.32062	0.2
136.98807	0.8
137.02448	0.5
138.01985	0.9
139.99884	0.5
140.98253	0.3
164.98267	0.4
178.83316	0.4
181.01314	0.3
224.80318	0.6
224.90536	0.7
225.00449	1.8
225.03323	0.4
225.18600	100.0
225.92650	3.8
226.18938	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	225.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01360	0.2
63.06549	0.2
69.03440	0.4
71.54807	0.3
79.48309	0.2
81.03432	0.3
83.05023	5.9
93.03463	1.2
96.96014	0.2
97.06581	3.9
107.05044	0.3
109.06601	0.3
111.08125	0.2
120.05814	0.3
121.06580	1.0
123.08128	1.0
135.08177	0.5
137.02467	0.4
137.09726	0.7
138.01970	0.2
149.06036	0.7
149.09671	0.2
153.00134	0.8
163.11279	7.2
164.11592	0.3
165.12849	2.7
166.06326	0.5
179.14412	10.4
180.14783	0.5
181.01408	0.3
181.08725	1.0
181.15939	0.5
187.83450	0.3
188.08008	0.3
189.12868	0.2
207.05121	1.0
207.10321	0.3
209.97850	0.3
210.03528	0.6
210.05328	0.2
220.06549	0.2
224.57161	0.5
225.00395	0.4
225.07883	1.2
225.14946	100.0
226.15283	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1496
Annotation	Blumenol B
Peak:m/z	Relative Intensity
56.80068	0.5
57.03437	0.6
59.01380	5.7
61.98828	8.3
67.77384	0.6
70.86563	0.7
70.86910	0.9
71.01391	0.6
83.05030	1.2
93.03468	3.1
114.80777	0.5
126.90495	1.0
135.11816	0.8
137.02466	0.6
143.86476	0.7
163.11192	0.9
163.14920	2.4
177.12822	0.6
178.83449	3.5
181.12323	1.0
189.12819	1.7
195.13893	21.8
196.14151	1.0
197.15503	2.2
205.12395	0.9
207.13881	64.2
208.14311	2.6
210.05096	0.7
224.90602	0.9
225.00504	1.0
225.11317	3.0
225.14938	100.0
225.92700	3.5
226.15271	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	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70274	0.3
57.03445	0.5
57.64917	0.3
59.01376	4.5
66.07362	0.3
67.01897	0.4
69.03458	0.5
70.23517	1.3
71.01384	0.3
80.04501	0.3
80.64327	0.3
85.02982	0.4
93.03491	1.3
95.01387	2.6
95.05035	0.7
97.02954	3.0
98.20664	0.3
99.43658	0.3
107.05004	1.9
109.02947	0.5
111.00947	0.3
121.02956	0.6
122.03702	0.6
123.04536	4.8
137.02470	0.9
150.03201	1.2
150.72630	0.4
151.04015	13.4
152.04424	0.5
166.05264	0.4
167.07137	11.0
181.08656	0.4
195.06624	100.0
196.06978	4.2
210.08969	73.2
211.09270	3.6
225.00249	0.4
225.11313	36.4
226.11589	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	225.1133
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
57.03430	0.4
58.79848	0.4
59.01379	17.4
69.52378	3.0
74.76327	0.4
85.02946	0.5
87.44595	0.4
93.03468	1.9
95.01385	2.4
95.05054	0.8
97.02957	3.4
97.06606	0.6
107.05041	1.8
120.84743	0.4
123.04524	4.5
125.02493	0.5
126.90459	0.5
134.03777	0.5
137.02458	1.0
142.13760	0.4
147.08180	0.6
149.06050	0.5
150.03226	1.3
151.03050	0.5
151.04013	12.9
163.11362	0.5
165.09108	0.5
166.37854	0.4
167.07140	11.1
180.04369	0.6
181.08620	0.5
195.06624	100.0
196.06978	3.8
207.10309	0.5
209.08080	0.5
210.08969	70.9
211.09311	3.2
220.36612	0.4
225.00351	1.3
225.07700	1.3
225.11319	41.9
226.11674	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	225.1132
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.59407	1.1
54.91228	1.1
55.07319	0.9
59.01385	13.9
61.98829	7.3
70.39658	2.0
72.09010	1.0
72.23313	0.9
81.03456	1.2
81.75399	1.0
93.03464	11.3
97.02960	10.2
99.00892	4.8
109.02925	1.7
109.06603	3.9
110.03709	2.1
126.90507	4.4
127.37670	1.0
135.08195	1.2
137.02451	4.4
137.09734	2.1
138.01984	1.5
142.02698	4.4
145.10286	1.0
153.01874	1.2
153.12868	1.1
163.11307	10.1
165.09169	1.7
178.83408	1.5
179.10799	1.3
181.12344	30.8
183.10295	11.6
192.86003	1.0
195.06709	1.6
197.11874	2.9
206.99359	1.5
207.10262	55.5
208.10539	2.9
210.05345	1.6
222.81996	1.0
224.90553	3.9
225.00337	5.0
225.11316	100.0
225.92723	1.6
226.11772	4.9
232.49074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	7.1
59.01382	86.6
60.51254	5.0
61.98541	6.1
61.98835	100.0
63.41416	4.3
64.01913	6.8
65.00317	9.0
65.99834	5.6
71.01391	6.2
71.09171	5.5
71.09508	6.8
73.02937	5.6
83.01358	4.6
85.43702	3.8
89.00363	7.6
101.02442	5.5
107.01368	13.4
111.63732	4.3
121.02940	7.0
135.04552	4.5
141.01711	15.9
149.02472	7.1
151.00298	12.4
151.04086	5.0
152.03497	4.4
156.64726	4.9
161.98248	7.2
165.01871	7.4
176.83670	12.1
176.98250	14.5
178.99818	8.3
179.10698	6.9
188.70795	4.3
193.01395	16.3
194.00090	4.5
194.99297	20.1
195.13835	9.5
198.66504	3.9
208.03784	15.7
222.95166	12.6
222.98859	7.7
223.02658	19.2
223.06142	12.0
223.13408	39.7
223.16992	13.1
223.98383	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	223.1704
Annotation	beta-Isocyclolavandulyl isobutyrate
Peak:m/z	Relative Intensity
59.01381	18.7
61.98834	22.1
64.01917	1.2
65.00324	3.1
65.99840	2.4
71.01384	0.9
71.24122	1.9
73.17155	1.1
75.10081	0.9
83.01375	1.2
85.02972	1.6
89.00321	1.3
92.01419	1.0
107.01408	2.9
108.00945	2.1
132.04813	1.0
136.04039	1.0
141.01718	4.5
149.02397	1.3
151.00348	1.9
151.03935	1.2
161.98268	2.0
164.98254	1.1
165.01985	1.3
166.06325	1.6
176.83699	4.4
176.98273	3.1
178.99826	2.0
180.94159	1.4
193.01424	3.1
194.99390	3.8
195.13927	1.4
203.92644	1.0
208.03705	5.1
222.79012	1.0
222.95242	2.4
222.98759	2.4
223.02731	3.4
223.06148	2.9
223.13414	6.3
223.17036	100.0
223.98349	1.8
224.17368	5.3
239.89351	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46299	0.3
55.01878	2.3
55.02124	0.3
58.77617	0.3
59.01379	7.3
61.98831	15.4
69.03443	0.4
69.58495	1.8
71.01404	0.6
72.13270	0.4
73.02965	0.4
85.02956	0.7
93.03456	0.5
98.20637	0.5
99.92587	0.5
101.02456	0.5
107.05047	0.7
109.06548	0.9
111.08159	1.5
121.02985	1.1
121.06581	0.7
125.02453	0.5
136.04025	0.3
140.58849	0.4
141.01698	0.9
141.86804	3.9
149.02460	0.9
150.94830	0.7
151.04004	0.6
160.84213	1.3
161.98317	0.5
162.91103	0.4
163.06122	0.5
165.01973	1.0
166.06311	0.8
176.83698	10.9
176.98305	0.5
177.12856	1.3
178.99847	0.4
179.14410	100.0
180.14751	5.2
180.94150	1.0
193.01421	2.4
194.99319	0.7
195.02948	0.3
195.13928	0.8
208.03725	2.3
221.09622	0.5
222.82895	0.6
222.95248	2.0
223.02725	1.4
223.06088	1.6
223.11746	1.2
223.13380	31.2
224.13654	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54904	0.2
55.01882	0.5
59.01376	3.2
61.98830	7.7
67.01887	0.3
70.54937	0.7
80.02686	0.3
81.03474	0.7
92.88560	0.2
93.03468	1.0
95.05054	0.8
97.06578	0.3
107.05067	0.9
111.00954	0.3
111.08219	0.3
121.02986	0.6
123.08185	0.7
125.09708	1.6
141.01717	0.4
141.86795	2.5
155.21304	0.3
159.87833	0.3
159.97380	0.4
160.84196	0.7
161.13348	0.3
163.06189	0.3
164.04881	0.2
166.06357	0.4
176.83704	6.8
177.12865	1.4
179.14413	100.0
180.14752	5.5
180.94160	0.7
192.06268	0.3
193.01338	0.6
208.03833	0.9
222.82964	0.5
222.95190	0.9
223.02748	0.3
223.06084	0.6
223.13388	25.5
224.13792	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.2
58.88644	0.3
59.01376	0.8
69.21830	2.6
73.02937	0.3
81.03459	0.7
83.05025	42.4
84.05357	1.1
85.06577	0.3
95.05006	0.3
95.14442	0.3
97.06590	31.1
98.06919	1.1
98.20647	0.6
98.54100	0.3
99.08157	0.6
107.05031	1.6
109.06608	0.6
111.08122	0.7
120.05793	0.5
121.06601	2.5
121.10251	0.7
123.08150	1.5
134.07428	0.3
135.08148	0.9
137.09732	4.9
138.10020	0.3
144.91293	0.3
145.10257	0.4
147.08165	2.7
161.09825	0.4
163.11284	59.9
164.11626	3.2
177.12843	0.9
179.14409	32.0
180.14714	1.7
205.07504	0.3
205.12376	0.6
223.13383	100.0
224.13748	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	223.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21066	0.2
55.01867	1.8
55.61032	0.2
59.01384	1.8
61.98830	3.5
70.66639	0.7
81.03453	1.6
83.45321	0.2
107.05038	1.0
109.06618	0.8
111.08155	1.9
113.89513	0.2
121.02965	0.3
121.06612	0.5
141.01721	0.4
141.86824	0.9
151.04103	0.2
151.11185	0.3
159.71330	0.3
160.84145	0.4
163.11337	0.5
165.01897	0.3
166.06351	0.4
167.10796	0.4
172.72441	0.2
176.83684	2.5
177.12875	0.5
179.14413	100.0
180.14728	5.1
180.94052	0.4
184.73700	0.2
185.23973	0.2
193.01453	0.5
208.03777	0.9
211.33937	0.3
222.88829	0.2
222.95145	0.5
223.02853	0.4
223.13385	27.5
224.13783	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1341
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
50.25555	0.8
57.03442	1.4
59.01383	12.3
61.32565	0.7
61.98537	1.2
61.98832	16.7
64.79536	0.7
69.03466	6.1
69.86581	3.3
70.82292	0.7
71.01376	1.5
71.05025	1.7
74.99084	1.7
83.05013	1.0
85.06611	1.0
93.03445	1.3
93.92399	0.7
96.96000	0.7
108.05778	0.8
109.06583	1.9
121.02981	1.5
121.06579	0.9
125.09653	1.1
141.86844	4.4
144.68979	0.9
149.09756	1.6
151.04012	2.1
157.06635	0.7
160.84152	1.2
161.13385	1.6
165.01903	0.9
166.06401	4.9
167.10799	8.4
168.11168	0.7
176.83704	11.0
177.12787	1.7
179.10757	3.8
179.14406	6.5
180.94235	1.1
193.01357	2.0
195.13916	27.6
196.14209	1.6
205.12337	22.4
208.03764	2.6
222.95229	1.8
223.02763	5.3
223.06194	1.9
223.13400	100.0
224.13704	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	223.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14972	0.3
57.48101	0.3
59.01379	100.0
60.01717	0.8
60.99312	0.5
71.05034	0.8
75.00848	0.4
83.04973	0.4
85.02971	0.5
87.00880	1.3
105.13819	0.3
123.04762	0.3
135.11821	0.3
144.36157	0.3
151.00223	0.3
161.13388	1.7
163.06267	0.3
163.11307	1.1
193.01517	0.5
200.55966	0.4
205.12398	0.6
208.03819	0.8
223.02727	0.7
223.06171	0.7
223.13382	19.4
224.13750	1.1
233.35092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83129	0.2
57.03450	6.0
59.01102	0.4
59.01378	5.0
62.48960	0.3
67.01880	0.4
69.63464	1.5
70.99454	0.3
72.99306	0.4
73.02934	0.4
81.03440	0.6
83.05025	40.5
84.05370	0.6
85.02946	1.7
85.06607	0.5
93.03430	0.4
95.05058	0.5
97.06590	31.5
98.06918	0.9
99.08161	0.7
105.49808	0.3
107.05036	1.6
109.06580	0.6
111.00871	0.8
111.08160	0.6
120.05789	0.4
121.02959	0.6
121.06596	3.0
121.10241	0.3
121.28123	0.3
123.08195	1.2
129.01917	0.6
135.08154	1.0
137.09718	5.7
145.10258	0.3
147.08153	3.6
149.02475	2.2
151.11183	0.4
161.09724	0.7
163.00397	0.4
163.11284	59.3
164.04778	1.4
164.11598	2.6
177.12822	0.9
179.10851	0.8
179.14407	32.7
180.14720	1.8
191.12958	0.2
193.01396	1.1
195.43089	0.3
205.03499	0.6
205.12372	1.3
208.03732	1.8
213.09029	0.3
223.06383	1.6
223.13379	100.0
224.13736	5.7
231.60217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0611
Annotation	Calaminthone
Peak:m/z	Relative Intensity
57.03440	1.3
59.01381	17.8
71.01390	1.0
72.99310	5.7
73.02968	0.5
73.36456	0.5
75.00848	0.5
81.03466	1.0
83.01400	0.7
84.30429	0.4
85.02960	5.7
93.03462	1.4
95.05028	1.3
99.00918	1.4
111.00916	1.9
112.42896	0.4
119.05033	100.0
120.05360	3.1
120.95483	0.4
121.02972	1.9
125.02456	2.9
125.99088	0.4
129.01953	4.8
135.04529	12.6
137.06111	0.8
143.03513	0.6
147.03011	1.7
149.02463	7.0
152.01201	0.5
163.04018	34.0
164.04817	4.4
165.01979	1.1
179.03448	1.0
181.05081	44.8
182.05389	1.2
188.73279	0.5
193.01443	2.6
205.03571	4.2
208.03773	3.0
223.02513	1.0
223.04263	6.5
223.06215	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	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72696	0.9
52.22459	1.0
55.01871	3.3
57.03448	10.7
59.01383	5.6
63.74625	0.9
67.51152	0.8
69.18428	0.9
70.65606	2.9
71.01369	9.2
72.99308	20.6
73.02935	2.6
75.00873	6.6
80.91164	0.9
81.03445	8.0
83.01389	6.7
84.02168	1.9
85.02950	69.2
87.00864	4.7
99.00880	10.0
101.02457	6.7
103.00370	2.0
104.83904	1.0
111.00878	29.7
113.02443	4.0
117.01926	2.2
125.02443	30.6
129.01947	51.1
133.04973	1.0
143.03503	5.3
147.02995	18.1
161.04544	2.3
165.08107	1.1
169.01344	1.4
187.02415	2.2
205.03511	47.7
223.04581	100.0
224.04938	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	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.3
57.03448	17.8
57.33460	1.6
59.01377	33.2
61.98824	8.8
67.01891	2.8
68.99818	3.7
70.26832	7.4
71.01385	45.9
72.99304	15.9
73.02947	6.1
74.99109	1.9
75.00860	11.1
82.53346	1.6
83.01376	22.0
84.02187	2.6
85.02950	100.0
87.00871	10.5
88.98806	2.0
89.00698	2.9
89.02463	6.5
91.02237	16.6
99.00864	15.2
101.02428	11.7
103.00323	2.4
108.93764	3.2
111.00884	62.3
112.98813	84.1
115.00380	5.2
119.05024	24.1
125.02407	1.7
126.90362	3.2
129.01941	34.5
135.01213	22.7
135.02931	3.6
135.04561	3.5
143.03592	2.2
145.01416	6.9
147.03004	7.3
149.04562	13.0
150.94801	6.5
152.89044	1.7
161.04526	2.2
162.91226	1.8
163.04028	9.8
181.05072	12.7
187.02438	4.1
205.03526	41.1
223.02824	4.6
223.04605	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.1
57.03446	17.5
59.01373	34.3
61.98815	6.8
67.10924	1.2
68.99809	1.6
69.18192	1.5
71.01376	27.6
71.53178	2.0
72.99306	10.2
73.02943	6.3
74.99068	2.0
75.00871	6.9
80.96495	2.4
83.01383	16.8
84.02153	2.7
85.02948	100.0
86.03268	1.8
87.00860	13.1
89.00690	4.2
89.02453	8.0
91.02227	19.8
99.00882	6.9
101.02436	12.9
103.03953	2.0
108.93726	3.2
111.00877	54.1
112.98804	20.6
114.81036	1.5
115.00342	2.3
119.05022	53.2
120.99723	1.3
125.02437	1.7
125.05575	1.3
129.01926	29.5
131.03543	1.4
135.01221	27.3
135.04826	14.3
143.03474	1.9
145.01485	2.8
147.03020	9.6
149.04552	23.2
150.94818	5.7
161.04552	3.0
162.91147	1.6
163.03998	17.8
175.65482	1.3
179.03769	1.8
181.05057	22.2
187.02455	3.1
190.26344	1.3
191.01936	2.6
205.01639	3.3
205.03514	44.8
223.02753	6.5
223.04578	48.7
223.06328	3.7
224.05000	1.7
237.88518	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	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69156	0.4
55.01881	3.0
57.03450	10.4
59.01382	4.7
67.01889	0.7
68.99826	0.8
69.03453	0.9
71.01380	7.5
71.21488	0.7
71.21834	0.5
72.99309	23.6
73.02938	1.5
75.00869	6.0
78.95874	0.5
81.03455	10.6
81.55045	0.4
82.18115	0.4
82.91710	0.5
83.01388	5.5
84.02169	1.3
85.02953	62.6
86.03294	0.6
87.00877	4.2
95.03345	0.4
97.02964	1.0
99.00881	10.1
101.02450	6.7
103.00382	1.1
103.04021	0.9
111.00886	22.7
113.02448	4.7
115.03960	0.6
117.01923	2.9
120.19648	0.4
125.02450	38.0
126.02702	0.7
129.01945	56.2
130.02293	0.8
131.03517	1.1
143.03505	5.8
147.02991	21.7
159.03035	0.4
161.04572	2.5
169.01405	1.3
173.00923	0.5
177.04047	0.4
187.02492	1.7
205.03523	46.0
206.03889	1.5
223.04582	100.0
224.04970	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	8.1
57.03449	5.6
58.00605	2.2
59.01380	100.0
60.01712	1.0
62.28240	0.7
69.64669	3.5
71.01381	56.0
72.99300	3.8
73.02946	24.6
75.00880	2.1
83.01389	14.6
85.02952	31.7
86.00120	1.2
87.00889	2.9
89.02444	7.2
95.01378	5.0
97.02965	1.9
98.20690	1.2
99.00877	10.1
101.02446	63.0
102.02821	1.1
111.00876	2.3
113.02454	25.4
115.25535	0.7
119.03511	2.1
119.16963	0.7
122.37656	0.8
125.02480	1.2
129.01947	1.2
129.05594	0.8
132.64546	0.8
143.03535	2.3
149.06058	1.0
159.03001	4.2
161.04556	16.7
172.28046	0.7
177.05600	1.0
190.99765	0.8
203.57579	1.1
221.04579	1.6
221.10265	19.2
221.12155	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	221.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.3
57.03455	4.5
58.00592	2.5
59.01379	100.0
60.01701	0.8
69.03455	0.7
69.55590	3.9
69.74410	0.7
71.01382	52.8
72.99306	3.9
73.02946	25.7
73.03359	1.1
75.00865	1.1
81.03470	1.5
81.92970	0.6
83.01394	12.8
85.02951	28.9
86.00092	1.1
87.00891	2.3
89.02446	6.3
95.01379	4.5
97.02940	1.1
99.00881	9.2
101.02444	57.9
111.00901	1.5
113.02454	24.3
114.02834	0.7
119.03519	2.5
120.99669	1.4
125.02471	1.8
129.01981	2.2
131.03520	0.8
133.06583	0.7
135.04544	0.8
143.03496	2.5
153.63676	0.7
159.03012	4.1
159.04480	0.9
161.04553	15.2
177.05577	1.1
180.06670	1.4
201.52907	0.8
206.02226	1.3
221.04585	2.0
221.08290	1.1
221.10249	14.9
221.12135	1.4
222.07776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43538	0.7
57.03458	1.1
59.01377	100.0
61.98161	0.6
71.01379	7.2
71.05024	1.2
71.21666	1.5
72.99303	4.2
73.02938	6.4
75.00870	5.5
81.03457	5.9
83.01402	2.4
83.05058	0.7
85.02944	5.6
87.00887	6.1
89.00673	0.7
89.02429	1.5
91.02255	2.6
93.29766	0.8
99.00903	1.9
99.04513	7.7
101.02448	5.5
111.04568	1.4
113.02479	2.2
115.00388	3.0
119.05063	1.1
125.02457	0.7
129.01942	1.4
131.03528	2.4
134.94270	0.8
143.03519	3.2
145.01437	1.2
161.02759	3.3
161.04564	9.6
169.80951	0.8
179.03880	5.8
179.05650	2.3
180.06665	3.4
183.50777	0.7
212.20985	0.7
221.06627	14.3
222.07861	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	219.9774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37487	0.2
59.01379	13.1
60.01709	0.2
61.01794	0.2
61.98830	100.0
64.54375	0.2
66.03470	0.3
66.39886	0.2
73.02957	0.4
96.34547	0.2
100.26392	0.2
112.50593	0.2
146.46519	0.2
148.05009	0.2
159.97408	0.3
160.84268	0.8
161.04565	0.6
174.02144	0.2
177.96722	0.6
177.98938	0.3
178.98560	1.6
180.61072	0.2
184.91414	0.2
219.17535	0.7
219.97752	4.0
219.99748	0.4
220.17923	1.0
220.99635	1.6
221.12035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0667
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
52.17734	0.6
54.15257	0.7
54.15749	0.7
55.01867	1.3
57.03456	4.6
59.01382	42.0
61.98846	0.6
68.86134	0.8
69.03452	2.9
69.43672	3.8
71.01384	11.4
71.05042	0.8
72.99308	6.6
73.02959	4.1
75.00877	1.5
80.97326	0.6
81.03463	6.7
83.01391	1.3
83.05038	3.4
84.02135	1.0
84.04569	0.8
84.79015	0.7
85.02956	44.3
86.55992	0.7
87.00867	1.7
87.04494	2.0
89.02451	9.0
93.03458	1.6
95.01418	0.8
97.02943	1.9
99.00928	0.8
99.04531	6.5
101.02447	5.4
102.05605	5.1
103.05936	0.9
110.06095	1.2
111.04546	7.4
113.02443	5.1
115.03996	1.4
117.05593	2.2
125.02428	1.9
127.04060	1.0
127.05141	2.5
128.03540	4.4
129.01964	1.9
129.03917	1.3
131.03496	8.4
143.03505	2.3
145.06200	12.9
146.04607	8.8
147.04973	3.6
148.06172	0.9
148.90030	0.7
159.08481	0.7
161.04535	3.5
175.06145	1.3
179.05577	1.9
185.04604	1.7
198.21002	0.9
203.05603	4.5
203.07535	3.5
203.09200	0.8
221.06667	100.0
222.06987	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	219.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98822	4.4
63.96231	1.5
66.03488	1.3
69.17471	4.1
69.17887	10.6
99.71437	1.4
116.62649	1.5
154.17842	1.4
171.33221	1.3
177.01756	1.6
204.04082	2.4
204.11757	1.6
219.03040	3.0
219.06551	2.1
219.10193	2.9
219.13876	5.7
219.17508	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.9774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37487	0.2
59.01379	13.1
60.01709	0.2
61.01794	0.2
61.98830	100.0
64.54375	0.2
66.03470	0.3
66.39886	0.2
73.02957	0.4
96.34547	0.2
100.26392	0.2
112.50593	0.2
146.46519	0.2
148.05009	0.2
159.97408	0.3
160.84268	0.8
161.04565	0.6
174.02144	0.2
177.96722	0.6
177.98938	0.3
178.98560	1.6
180.61072	0.2
184.91414	0.2
219.17535	0.7
219.97752	4.0
219.99748	0.4
220.17923	1.0
220.99635	1.6
221.12035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1033
Annotation	Pantothenic Acid
Peak:m/z	Relative Intensity
59.01374	2.8
69.79712	2.6
71.01382	11.8
71.05019	15.3
88.04042	100.0
89.04390	0.6
98.19923	0.5
99.04512	5.5
116.03549	1.3
116.07177	2.6
116.89295	0.5
118.51884	0.6
120.64068	0.5
129.05574	1.4
136.39272	0.4
136.63239	0.5
144.04510	0.5
146.08232	47.3
147.04530	0.6
147.08542	0.8
152.31056	0.6
157.07764	0.6
174.05153	1.0
175.03952	0.7
218.10318	30.6
219.10587	1.3
219.17580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0775
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
59.01379	8.7
69.23222	6.4
69.23644	3.9
70.25840	1.0
71.01386	1.6
72.00906	12.1
73.02972	1.2
74.02473	28.4
86.02472	6.6
87.00883	1.3
87.04492	1.2
92.05104	1.5
98.19925	2.0
107.94946	1.1
110.54047	0.9
111.04462	1.0
116.05035	2.3
118.06658	2.5
129.04681	1.8
129.05574	14.5
130.06625	2.7
131.03749	3.5
132.04552	81.2
144.04546	63.3
145.04895	2.3
146.05005	1.5
146.06097	1.6
157.07704	50.9
158.06116	11.4
175.08771	20.5
191.03435	1.4
197.97835	1.1
201.06721	7.0
202.05235	1.3
204.04242	2.7
209.05232	1.1
211.91028	1.1
219.03098	3.5
219.07747	100.0
219.12148	6.3
219.17494	23.3
220.08104	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	217.0716
Annotation	triacetin
Peak:m/z	Relative Intensity
58.63625	0.4
59.01376	6.5
66.08516	0.4
68.94793	0.4
69.03444	0.4
69.33945	0.3
69.64684	1.9
69.65102	0.8
71.01373	1.8
71.05026	1.0
71.87173	0.4
72.99321	1.1
75.00870	100.0
76.01186	0.7
78.17290	0.4
81.03456	2.6
83.01383	0.5
83.05012	0.8
85.02954	4.7
88.04039	7.1
90.52000	0.4
93.03468	0.9
97.02949	0.6
97.06590	0.6
99.00887	2.1
99.04524	1.5
111.00888	0.9
111.08209	0.5
115.04018	7.6
125.02435	4.3
127.03916	0.5
131.01752	0.6
131.03761	1.0
141.01906	0.8
146.08189	3.1
154.54350	0.4
155.03491	1.3
155.07150	0.6
159.03249	9.4
172.04031	3.6
173.04684	42.3
174.04930	0.8
174.99188	1.3
175.09793	0.5
181.05162	0.6
199.06134	0.6
200.09387	0.7
217.00209	1.2
217.07166	86.1
217.09750	8.9
218.07494	2.6
218.10197	2.5
231.74973	0.4
239.34961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.067
Annotation	O-Succinyl-L-homoserine
Peak:m/z	Relative Intensity
55.01875	6.1
57.03441	2.7
58.02972	1.9
59.01371	2.8
69.03459	4.1
70.02965	2.4
71.01376	5.7
71.05022	6.7
72.00905	0.9
72.04537	2.2
72.99335	0.8
73.02945	8.8
75.00881	1.0
81.03459	2.2
82.02979	10.3
83.01388	47.1
83.05019	2.2
85.02953	6.2
86.02479	1.5
86.06110	2.0
87.00879	10.9
88.04046	6.7
89.02466	1.2
90.05630	3.8
94.02978	1.6
95.05029	0.9
96.04552	8.4
97.02955	5.4
98.02479	43.7
98.06125	16.6
99.00854	1.0
99.04506	1.4
100.04041	2.0
100.07666	1.1
101.02455	12.0
102.05611	3.1
104.03546	0.9
108.04546	3.2
109.02893	0.9
110.06098	2.5
111.00899	1.9
111.04504	1.0
112.04032	2.5
113.02521	0.8
113.06122	0.8
114.05609	16.3
115.00347	1.1
124.04040	14.8
125.02432	2.2
126.04757	1.5
126.05614	18.3
128.03540	4.0
128.07176	3.5
129.01950	6.1
130.05051	0.7
133.01424	1.1
138.05600	6.1
139.25276	0.8
141.01956	1.5
142.05113	13.4
144.06653	1.8
146.04555	3.1
146.08208	4.2
154.05118	2.7
156.03882	1.0
156.06660	8.9
157.07620	0.8
172.06161	24.1
174.07712	49.9
175.08107	1.1
200.05620	2.9
201.03946	1.4
218.06685	100.0
218.10252	3.7
219.05057	6.5
219.07085	3.3
219.09920	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	217.0717
Annotation	triacetin
Peak:m/z	Relative Intensity
55.01869	0.5
59.01377	2.7
69.03461	0.7
70.02961	0.5
71.01386	1.8
71.05032	0.9
71.15481	0.9
72.99313	1.5
73.02913	0.7
74.02478	0.5
75.00873	100.0
81.03474	2.5
82.27114	0.5
83.01379	2.2
83.05061	1.0
85.02955	4.6
87.00887	1.1
88.04035	0.6
89.02434	1.3
89.97951	0.4
93.03454	2.1
98.02493	1.7
98.06108	0.8
99.00892	2.0
99.04523	0.6
101.02450	1.3
111.00884	1.6
111.04524	0.6
114.05586	0.6
115.04002	7.6
125.02466	3.8
126.05584	1.1
127.04021	0.7
129.05594	0.7
133.05145	0.5
137.02449	1.6
138.05547	0.5
141.01950	0.6
153.01973	0.5
155.03491	1.7
159.03291	2.4
172.04048	1.1
172.06233	1.0
173.04593	28.5
174.07706	2.3
199.10867	0.6
217.07170	90.7
218.06908	4.6
218.10355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19438	0.4
59.01376	100.0
60.01712	0.6
69.98545	1.9
71.01393	0.5
74.02473	0.8
89.02414	0.4
90.97128	1.7
101.58822	0.4
118.96634	1.3
119.47706	0.4
131.67162	0.4
132.98198	3.9
141.86185	0.4
143.79781	0.4
173.04556	0.5
174.99232	31.1
175.99577	0.6
187.10880	1.7
217.00276	34.7
217.11900	0.5
218.00598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01735	0.8
65.65068	0.4
69.76992	2.4
77.16286	0.4
77.35940	0.5
77.83894	0.4
84.68362	0.4
90.97146	1.6
95.23739	0.5
98.19994	0.6
118.96608	1.1
132.98196	2.3
142.20177	0.4
174.99245	29.8
175.99564	0.5
180.63739	0.4
217.00291	39.1
218.00616	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0877
Annotation	CJ 15801
Peak:m/z	Relative Intensity
55.01892	1.2
57.03451	16.6
59.01371	2.6
70.02986	1.9
70.95621	1.5
71.03474	0.8
72.04543	7.5
75.00899	1.5
82.02985	7.1
83.01420	5.1
84.00896	1.8
84.04537	2.4
85.02949	1.1
86.05613	1.9
86.06122	29.9
96.04555	2.2
97.02946	0.9
98.02482	26.1
100.04043	3.1
112.04054	22.4
114.05611	6.5
115.04025	1.5
126.09232	7.3
128.07184	19.1
138.05615	2.5
144.10324	9.8
154.08713	5.4
156.06668	5.9
170.08241	34.6
172.09801	64.9
173.04756	1.4
173.10182	1.9
216.08774	100.0
217.07195	1.2
217.09164	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48902	0.8
55.01879	0.9
57.03449	1.4
59.01370	3.8
61.98826	13.1
65.00318	1.1
69.03448	2.9
70.56509	0.7
71.01383	1.6
71.05025	8.4
71.24473	0.9
71.24801	1.4
73.02927	1.5
80.91700	0.8
83.05030	1.4
84.23080	0.8
85.02953	4.9
89.02427	1.7
95.05009	1.0
96.35982	0.8
97.06595	14.7
99.00886	0.9
99.92578	1.5
101.02461	1.6
109.06587	1.6
111.08158	8.6
114.93444	1.6
115.92022	1.2
116.92887	1.1
122.89426	36.1
123.08167	10.5
123.89448	0.9
125.09689	3.1
135.08214	0.8
137.09720	5.0
139.11292	100.0
140.11627	4.2
141.12874	1.1
144.00931	10.0
153.09171	1.0
153.12920	1.2
168.88680	3.0
171.01967	1.7
172.08926	2.8
183.10289	3.8
186.89766	22.4
187.89836	1.2
197.11781	1.3
197.85686	0.8
204.07954	2.0
215.00984	68.0
215.07123	1.6
215.12860	41.2
216.01361	5.0
216.06958	1.0
216.10283	13.6
216.13300	1.8
219.46417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1076
Annotation	Liguhodgsonal
Peak:m/z	Relative Intensity
59.01375	0.9
61.98822	1.7
69.17815	2.1
69.18239	1.7
75.39967	0.4
78.91888	0.4
79.05534	0.8
105.23280	0.4
115.04732	0.5
115.05540	9.2
116.05771	0.4
122.89433	4.8
129.07109	0.9
130.04227	2.1
143.04942	0.5
144.00883	1.4
147.38338	0.4
154.07895	0.6
155.08661	0.4
156.05774	1.7
157.06578	1.1
159.08096	2.1
166.75963	0.4
167.05040	3.7
167.08653	0.7
168.88707	0.7
169.10223	0.9
175.45209	0.4
179.08653	2.9
180.05875	1.4
181.06584	70.0
182.07178	4.6
183.08011	0.5
186.89708	2.3
194.07362	0.6
195.08151	7.0
196.08911	5.9
197.09711	100.0
198.10059	4.9
215.00981	12.1
215.10756	86.9
216.01268	0.6
216.11159	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	215.0352
Annotation	Bergapten
Peak:m/z	Relative Intensity
59.01376	1.3
61.98835	4.4
62.71404	0.4
65.00330	0.6
69.18103	3.8
71.01384	1.0
86.60067	0.4
87.00858	0.6
89.02473	1.2
90.15691	0.4
96.42242	0.4
99.00912	0.5
99.92603	0.7
103.42952	0.4
115.05544	1.3
119.01381	0.5
119.05062	0.5
122.89431	18.8
131.03491	0.5
143.05031	9.2
144.00920	4.4
145.02968	4.4
147.04581	2.2
159.04527	1.5
168.88712	1.5
171.02023	1.0
171.04494	7.6
172.00455	0.5
173.02428	5.3
186.89760	10.8
187.03970	3.1
197.11873	0.9
214.02638	0.9
215.01016	38.9
215.03482	100.0
215.12767	2.2
216.01314	1.5
216.03807	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	215.0712
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
50.24671	0.2
57.03431	0.3
59.01378	0.9
61.98833	1.6
65.00314	0.3
71.01379	0.5
71.09846	0.3
81.03469	0.2
87.00884	0.6
89.02450	0.5
99.00882	0.3
101.02448	0.5
122.89418	6.9
144.00909	2.6
152.98276	0.3
153.12846	10.9
154.13164	0.4
168.88710	0.8
171.01942	0.3
172.00452	0.3
172.05299	2.4
186.89764	4.8
187.07663	0.3
187.21416	0.2
197.11818	10.8
198.12158	0.5
200.04774	25.3
201.05180	0.9
215.01015	19.9
215.07109	100.0
215.12822	22.8
216.01312	1.0
216.07451	5.7
216.13257	0.9
232.03751	10.8
233.04066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
56.52301	0.4
58.55232	0.4
59.01362	0.9
61.98817	0.6
69.03453	0.7
69.18948	1.8
69.19372	2.7
76.96664	0.4
97.06579	0.8
116.05732	0.4
120.89793	0.4
151.11276	13.1
168.98921	4.0
169.12332	100.0
170.12677	3.7
183.13887	4.2
185.11868	0.4
186.96985	0.5
194.99463	0.6
195.10213	1.1
195.13918	4.0
197.99150	0.6
213.05687	0.6
213.09454	0.9
213.11333	23.2
213.14908	20.8
213.18477	1.2
214.15395	0.5
214.82063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1496
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
50.06414	0.2
51.48335	0.2
54.27885	0.3
59.01387	1.3
61.98828	2.1
64.82155	0.3
65.40962	0.3
70.86915	0.7
94.48674	0.3
95.05027	0.3
97.02933	0.3
97.06593	0.3
118.92404	0.4
120.89893	0.5
124.25237	0.3
135.08160	0.6
137.09718	8.7
168.98953	1.9
169.12291	0.6
177.90285	0.8
181.08719	1.2
183.13895	24.3
184.14256	0.9
184.90221	0.3
185.90279	0.3
195.13895	20.9
196.14236	0.8
197.99170	0.4
211.13394	0.7
212.91182	0.3
213.14952	100.0
214.15329	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	214.1084
Annotation	(-)-Monascumic acid
Peak:m/z	Relative Intensity
51.01597	0.4
53.03425	0.4
55.01874	0.9
57.03450	2.2
62.91800	0.3
71.54863	0.6
72.04546	18.7
82.06602	0.7
83.01387	2.1
92.05035	0.4
99.41798	0.4
114.09314	0.4
124.11247	0.5
125.09726	0.3
135.04544	0.4
137.46162	0.4
140.10825	6.7
142.12372	100.0
143.12750	2.7
144.00912	0.7
155.26828	0.4
168.10297	42.5
169.10620	0.6
170.11862	46.0
171.12196	1.4
186.11411	0.6
211.85155	0.4
211.87236	0.4
214.10840	49.4
215.00989	6.0
215.03104	0.8
215.09151	1.1
215.11192	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	213.092
Annotation	1,1-Bis(4-hydroxyphenyl)ethane
Peak:m/z	Relative Intensity
59.01367	1.2
61.98828	3.9
65.00302	0.7
69.03454	0.3
69.95219	1.1
73.02937	0.6
78.54819	0.3
78.95874	0.3
82.50626	0.3
86.21438	0.2
97.02996	0.3
107.01371	0.3
118.92448	0.6
120.89931	0.3
121.89708	0.6
125.02440	1.1
126.89076	0.3
130.04253	0.3
141.12846	0.5
143.05042	1.0
143.97737	0.3
156.05803	0.5
157.06584	8.5
158.03838	0.3
158.06950	0.4
167.08682	1.9
168.91147	0.3
168.98904	1.0
169.01303	0.4
169.06587	8.3
169.12373	0.4
169.16048	0.3
170.07396	1.3
171.04507	0.6
173.06050	0.5
177.90350	0.4
180.05878	0.8
183.04575	0.7
183.08148	2.3
185.09712	0.6
193.06573	1.8
194.07378	6.2
194.99405	0.5
195.08154	7.9
195.13925	0.3
197.06079	42.6
197.99248	0.4
198.06702	4.4
211.07654	2.3
213.09212	100.0
213.14870	5.9
213.88315	0.8
214.09531	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	213.0405
Annotation	2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate
Peak:m/z	Relative Intensity
57.03453	12.3
58.64084	1.1
59.01364	4.8
65.00316	3.6
67.01905	1.4
69.03433	1.5
69.72304	1.2
70.91291	2.7
71.01384	1.4
71.05039	2.3
73.02950	8.2
77.03959	2.5
81.03464	9.0
82.27022	1.0
83.01395	13.1
83.05021	2.2
85.02964	7.4
93.03461	2.7
95.01385	1.7
95.05022	6.1
97.02943	12.7
99.00871	2.7
99.04525	3.2
103.94350	1.1
107.01405	1.6
107.05010	3.3
108.02161	1.3
109.02949	29.6
115.03999	6.7
121.02950	9.9
123.04543	12.7
125.02451	100.0
125.25646	1.2
126.02761	1.8
127.03999	6.1
129.01834	1.3
133.03027	1.3
137.02448	31.8
139.04010	7.0
141.01891	1.3
145.05107	1.8
149.02472	3.9
151.00368	5.2
151.01486	1.1
151.04007	10.1
151.07639	1.2
152.52618	1.2
152.59303	1.2
152.82765	1.0
153.01935	43.1
155.10785	1.7
165.01929	57.2
166.02348	1.7
167.03499	24.3
167.04860	1.2
170.11909	1.9
177.01990	2.7
183.02988	73.2
184.03323	1.7
195.02980	58.1
196.03348	1.7
213.04048	79.2
213.11343	2.1
213.14940	4.1
213.18530	1.5
214.04498	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	211.1704
Annotation	trans-Delta2-11-methyl-Dodecenoic Acid
Peak:m/z	Relative Intensity
53.38080	1.0
56.59132	1.2
59.01378	2.9
61.98830	19.4
62.98573	0.8
67.01882	1.2
68.99831	1.6
71.24419	1.7
79.01923	1.0
95.01377	7.6
99.00891	1.0
111.00889	1.0
112.00426	0.8
112.97734	0.9
112.98569	1.2
121.02987	1.6
123.00896	4.1
125.04363	1.1
126.15639	0.9
126.90560	1.0
130.47229	0.8
139.00406	1.4
140.28835	1.0
151.06068	1.1
154.06296	1.2
164.98317	1.7
166.99797	1.5
167.10674	0.9
167.14377	1.6
185.49692	0.8
203.63359	0.9
210.94919	3.4
211.06065	1.2
211.13425	6.5
211.17035	100.0
211.94664	3.4
212.17374	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	213.0405
Annotation	2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate
Peak:m/z	Relative Intensity
55.01850	1.6
57.03445	7.4
58.85506	1.3
59.01376	3.7
65.00308	1.8
65.03960	3.3
67.01891	3.3
68.99821	3.0
69.03457	2.9
70.92100	2.5
71.01376	3.4
71.05025	1.6
73.02937	2.5
73.97112	1.2
77.03967	2.8
79.01893	2.5
79.05083	1.1
81.03458	10.5
83.01392	13.6
83.05015	2.4
85.02966	5.7
93.03468	5.1
95.01382	4.6
95.05032	8.2
97.02956	16.6
99.00873	14.2
99.04523	3.8
105.03471	1.5
107.01362	2.3
107.05020	4.9
108.02171	2.2
109.02957	43.1
110.03310	1.2
111.00857	3.4
111.04578	1.3
115.03996	2.3
121.02966	13.6
123.00916	1.8
123.04529	9.3
125.02450	64.2
126.02760	1.7
127.04002	6.1
129.01993	1.5
133.02983	2.5
137.01468	1.9
137.02452	28.0
139.03954	5.7
141.01875	1.6
149.02454	4.6
151.00374	10.3
151.04013	12.2
153.01941	95.9
154.02248	2.2
164.01173	3.4
164.59117	1.0
165.01932	73.1
167.02191	1.4
167.03510	22.0
177.01933	4.7
183.02986	100.0
184.03227	2.5
195.02992	52.5
196.03265	1.4
213.04039	82.1
214.04382	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	211.1339
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
51.40602	0.6
57.03428	3.5
69.96678	3.2
71.05008	0.9
85.02966	0.6
87.04539	2.5
95.05064	2.3
97.02964	1.5
97.06564	3.4
107.05061	0.9
109.06606	2.2
111.08218	1.8
113.09726	1.2
121.06596	3.8
123.08162	22.6
126.06911	1.0
135.08125	1.6
137.09723	70.3
138.06876	13.1
138.10085	2.4
149.06117	1.2
149.09744	0.8
150.06865	2.8
152.08478	1.5
153.09213	27.2
156.16365	0.7
163.11288	9.4
164.08400	1.6
165.09244	1.2
165.12840	2.9
175.11339	4.3
178.10016	2.5
183.13928	3.7
193.12332	100.0
194.12570	3.2
199.28314	0.8
209.26797	0.7
211.13383	33.0
212.13693	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.12806	0.4
59.01375	1.1
61.98825	3.4
69.03469	0.8
70.72338	1.4
83.05014	0.5
88.20866	0.4
91.92027	0.5
95.01406	1.5
102.61452	0.4
104.76688	0.4
118.87882	0.5
121.02969	0.6
129.44658	0.4
132.45876	0.5
140.49918	0.4
158.54266	0.4
159.83098	0.5
165.12791	0.8
166.51239	0.4
166.99928	0.5
167.10797	2.4
167.14388	1.0
181.01518	0.5
183.13893	13.1
184.14311	0.4
193.12337	3.5
210.94943	0.9
210.98683	0.5
211.13383	100.0
211.94641	0.6
212.13715	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	211.134
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
51.75026	0.6
57.03444	4.2
63.93290	0.5
69.03468	0.9
70.41839	2.0
73.02966	1.0
87.04507	2.7
95.05051	2.0
97.02956	1.3
97.06605	2.4
101.77899	0.5
105.07116	1.0
107.05038	1.0
108.55199	0.5
109.06601	1.6
111.04549	1.0
111.08176	1.6
113.09754	0.6
119.08667	0.8
121.06590	3.6
123.08163	21.8
124.08500	0.8
124.54280	0.6
126.06897	0.7
135.08189	2.2
136.05327	0.8
137.09720	69.8
138.06862	12.2
138.10062	2.0
149.06007	0.9
149.09676	0.7
150.06897	2.9
151.07460	0.6
151.11299	0.5
152.08446	0.8
153.09212	29.6
154.09593	1.3
163.11272	10.4
164.08469	1.6
165.09175	1.1
165.12813	3.3
175.11267	4.4
177.09283	0.6
178.10022	2.7
183.13910	2.3
193.12326	100.0
194.12691	3.8
211.13380	34.5
212.13672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.134
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
57.03459	2.9
69.03465	1.0
70.41722	0.7
70.42039	0.9
73.02962	0.8
83.05073	0.7
87.04528	3.2
95.05063	1.5
97.02970	1.7
97.06590	3.4
99.08191	0.6
101.77477	0.5
105.07122	0.8
107.05022	1.3
108.26026	0.6
109.06629	2.1
111.04561	0.8
111.08124	1.5
118.97257	0.6
119.08649	0.9
121.06630	4.1
123.08161	23.3
124.08482	0.9
124.29433	0.5
126.05595	1.3
126.06921	1.4
135.08197	1.5
136.76334	0.6
137.09720	72.1
138.06877	13.1
138.10078	2.3
139.07254	0.7
149.06088	1.8
149.09697	0.8
150.06868	3.1
152.08417	1.4
153.09216	30.3
154.09537	1.1
158.20866	0.6
160.08917	0.6
163.11295	10.2
164.08408	1.4
165.09242	1.2
165.12825	2.7
167.10703	0.6
175.11269	5.8
178.08684	0.7
178.09972	3.6
183.13881	3.5
184.46910	0.6
193.12325	100.0
193.44266	0.6
194.12711	3.3
211.13380	31.4
212.13705	1.1
216.29303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06342	0.3
60.54473	0.3
65.00335	0.5
65.68475	0.4
67.01872	0.3
81.03455	0.7
83.01399	1.1
95.01360	0.6
109.02959	4.4
111.00889	0.5
135.00903	0.6
136.98817	2.0
137.02434	1.9
139.00423	0.7
153.01945	39.0
154.02350	1.2
162.04108	0.3
164.98299	1.3
181.01433	100.0
182.01799	2.5
186.92207	0.4
192.03706	0.4
196.03772	66.9
197.04079	2.7
211.06123	31.8
211.13373	1.6
212.06456	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0612
Annotation	Gelsemide
Peak:m/z	Relative Intensity
59.01376	0.7
61.98840	0.9
65.00322	0.5
67.01888	0.3
70.35646	0.2
70.92292	0.3
70.92614	0.5
81.03470	0.4
83.01411	0.8
95.01397	0.5
96.11745	0.3
109.02946	2.2
111.00864	0.6
121.02962	0.3
124.01360	0.3
130.77759	0.3
136.98790	1.8
137.02431	2.0
139.00357	0.3
139.03990	0.3
153.01936	25.1
154.02313	0.5
164.98308	1.5
181.01425	100.0
182.01724	2.5
196.03763	29.4
197.04086	0.8
211.06113	21.6
211.13362	1.9
212.06459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0407
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
54.24319	0.4
57.03444	0.7
59.01385	1.2
61.98834	5.2
63.65062	0.4
69.76949	1.2
69.77360	0.8
72.99328	0.5
77.03944	0.5
78.95933	0.5
92.05070	1.0
94.03004	1.6
95.01411	0.5
95.05000	0.6
96.96049	0.9
98.19982	0.7
103.04315	1.1
104.05063	35.9
105.05399	0.7
111.04510	0.5
113.99605	0.6
120.04550	5.5
121.03006	0.5
121.06564	0.7
122.03311	0.7
122.06112	1.5
123.04526	0.5
123.08168	1.1
124.04033	4.6
135.03271	0.5
137.09731	3.4
138.05627	0.4
143.82851	0.4
148.01608	1.6
148.04044	56.4
149.04404	2.1
149.06059	0.6
153.05618	1.0
153.09195	1.1
163.03998	1.2
163.05437	0.4
166.05083	100.0
166.91063	0.5
167.05457	3.2
181.05061	1.0
193.12334	4.3
195.06197	0.8
209.94897	2.4
210.01965	0.7
210.04050	15.0
211.04401	0.5
211.06081	1.8
211.13377	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	211.061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05479	0.3
61.81453	0.3
63.42800	0.3
63.79012	0.4
65.00317	0.8
69.44653	2.3
69.45069	0.7
74.03887	0.4
81.03465	0.4
97.02962	4.2
109.02976	0.4
123.56531	0.4
137.02434	1.4
153.01933	27.3
154.02196	0.6
164.98260	0.6
181.01419	100.0
182.01762	2.7
182.03235	0.5
195.03021	1.5
196.03752	93.1
197.04086	3.0
211.06097	28.9
211.13260	0.5
212.06499	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
53.39613	0.2
55.01876	1.6
59.01381	0.6
61.98829	4.8
69.91756	1.1
93.03453	0.7
95.05009	0.6
96.96014	0.3
97.06573	2.0
98.19939	0.3
103.10535	0.3
107.05013	0.4
109.06609	0.4
121.02958	10.2
121.06652	0.3
124.04095	0.3
142.88353	0.3
155.48604	0.3
163.11267	0.9
165.12842	100.0
166.13153	3.0
209.04561	1.9
209.11819	23.2
209.94904	1.9
210.12148	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98829	100.0
62.98540	0.2
63.45224	0.1
71.41647	0.2
75.91687	0.1
94.02994	0.1
108.11034	0.1
122.03362	0.1
124.04038	0.7
134.08852	0.1
137.94449	0.2
146.93420	0.1
147.27225	0.1
153.57712	0.1
163.95625	0.2
164.96455	0.5
166.91107	0.3
173.99039	0.1
195.94560	0.1
209.94885	36.4
210.94948	1.6
211.13370	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Pulchellon
Peak:m/z	Relative Intensity
57.03438	3.4
59.01378	11.3
61.98831	7.4
62.71015	0.7
67.09474	0.7
69.03455	20.3
69.89285	4.2
71.01372	1.2
71.05011	3.6
71.33456	0.8
79.09721	0.8
80.02664	0.8
80.46249	0.9
83.05010	2.3
92.99797	1.6
93.03458	3.9
94.02973	1.0
95.05015	2.8
96.96013	2.9
97.06599	1.3
98.19926	1.1
108.05836	1.6
109.06589	1.9
111.08157	4.5
120.02190	2.0
121.02959	45.5
122.03308	0.9
124.04028	2.5
127.07592	1.2
135.08138	1.4
135.11787	1.0
136.01639	0.8
137.09740	1.1
139.07614	1.7
147.11804	2.3
153.09230	5.0
156.58957	0.9
163.11247	3.4
165.09155	2.4
165.12843	19.8
173.09760	1.7
181.12323	22.0
191.10757	24.5
209.04573	8.3
209.08484	3.6
209.11816	100.0
209.94925	2.7
210.12184	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	209.1181
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
59.01377	3.2
61.98829	35.6
65.00319	0.5
68.99811	0.9
69.74748	1.6
69.75177	0.8
76.93955	0.5
80.26249	0.5
83.05013	0.9
85.02943	1.2
89.02425	0.5
91.01865	0.8
92.99811	5.5
93.03439	3.3
94.02991	1.5
96.99889	0.4
108.02122	0.4
109.02879	0.4
120.02138	1.0
120.18612	0.4
121.02950	60.5
122.03286	1.6
124.04041	3.7
128.07278	0.4
136.01660	1.1
136.98802	1.3
137.02437	1.0
137.06030	0.5
153.78815	0.4
163.11278	0.6
164.98244	0.9
165.01923	1.5
165.12820	0.6
179.03549	0.6
180.97768	0.6
181.05086	0.6
181.12181	0.4
191.10614	0.7
194.02100	0.5
194.06006	0.6
209.00836	1.7
209.04558	9.6
209.11807	100.0
209.15269	2.5
209.94885	14.2
209.96901	0.7
210.12172	4.4
223.17763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
50.81121	0.7
54.30612	0.6
57.03447	2.9
59.01381	100.0
60.01727	0.9
61.98833	12.8
63.94490	0.6
65.00324	1.0
69.03471	0.9
69.35449	3.0
69.35857	1.8
71.01389	1.0
71.18326	0.6
73.02949	0.6
80.02660	0.7
81.03473	1.7
83.05013	0.6
85.02962	2.9
89.02381	0.6
89.28313	0.6
91.01910	0.9
92.99811	1.3
93.03465	1.6
94.03004	1.1
95.05055	0.9
97.06589	3.0
98.19860	1.1
109.02950	0.6
109.06580	3.8
111.70525	0.7
118.94285	0.5
120.02184	1.8
121.02960	95.5
122.03282	3.3
123.04540	0.7
124.04015	3.7
125.02512	0.8
136.01651	1.5
137.02492	1.0
149.09836	0.6
151.03954	0.8
151.23833	0.6
164.94125	1.4
164.98309	0.6
165.01897	1.1
165.09212	1.3
165.12814	3.8
174.74162	0.6
176.04738	0.8
179.03476	1.9
181.12204	0.6
191.02020	0.7
194.02219	1.8
194.05827	1.7
208.93181	0.8
209.00876	2.2
209.02809	1.4
209.04581	16.8
209.08220	2.2
209.11813	22.3
209.94844	4.2
210.12193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0819
Annotation	Anserinone B
Peak:m/z	Relative Intensity
57.03450	10.6
59.01387	1.5
59.50933	0.4
65.00340	0.4
69.03475	0.6
69.24689	4.1
71.01391	1.4
71.05032	1.2
81.03465	1.5
83.05034	1.4
84.60588	0.4
85.02952	3.8
93.03471	0.5
95.01418	0.4
97.06589	0.8
107.05025	1.1
109.06611	1.0
112.64393	0.4
117.17360	0.4
119.73052	0.4
121.02957	16.7
121.06599	31.3
122.06925	1.2
123.04548	4.5
123.08176	3.2
124.04041	0.7
125.02484	0.5
127.76090	0.5
136.01668	0.7
136.25874	0.4
137.06119	0.6
137.09718	2.4
139.11307	1.2
148.64354	0.5
149.09697	0.9
151.04005	24.2
152.04405	0.7
161.02461	0.5
165.01939	0.6
165.05580	13.9
165.12842	1.7
166.05960	0.7
167.03439	0.6
174.80095	0.5
179.03502	97.2
180.03836	3.3
191.01965	0.9
191.14417	0.8
193.05055	1.6
194.05840	100.0
195.06154	4.4
209.02957	0.9
209.04578	4.6
209.08189	35.4
209.11691	1.5
209.15465	20.8
210.08530	1.5
210.15877	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0819
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
56.72604	0.4
59.01384	2.4
61.98830	15.3
65.00333	1.4
65.09946	0.5
68.99812	0.5
69.95192	1.3
69.95598	0.9
71.01350	1.0
77.03986	0.9
81.03485	0.7
83.07745	0.5
85.02961	3.4
91.01900	1.3
92.99816	3.7
93.03464	8.3
94.02995	1.4
95.01376	1.2
95.05034	1.4
105.03465	7.2
108.02185	1.0
109.02972	1.1
120.02158	1.4
121.02960	100.0
122.02536	0.6
122.03253	2.7
123.04533	1.1
124.04060	1.7
133.02928	3.4
136.01689	1.0
136.98781	1.5
137.02414	2.7
138.01891	0.5
150.03233	0.5
151.00369	0.6
151.04008	21.6
152.04424	0.9
161.02441	54.5
162.02803	1.4
164.98270	2.4
165.01941	2.0
165.05554	0.9
176.04781	25.3
177.05183	1.0
179.03503	83.4
180.03871	2.2
181.04990	1.0
190.99876	0.9
191.02002	0.8
191.07137	9.2
191.61115	0.5
193.05054	0.6
194.02165	1.5
194.05846	72.1
195.02998	1.0
195.06233	2.1
208.97363	0.9
209.01138	3.6
209.02986	0.7
209.04575	15.4
209.08182	29.6
209.11812	1.9
209.15515	1.4
209.94887	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	209.0817
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
56.14340	0.4
59.01387	0.6
60.16902	0.5
70.22087	1.7
77.03971	1.3
82.15314	0.5
85.02973	1.3
91.01878	0.6
93.03466	1.7
95.05034	1.9
100.88867	0.5
105.03456	7.6
115.94864	0.5
120.02168	2.2
121.02953	68.7
122.03262	1.3
133.02945	3.6
136.01578	0.6
147.04526	0.5
150.03163	1.4
151.04001	24.2
152.04356	0.9
161.02438	64.5
162.02802	2.2
176.04782	34.3
177.05077	0.8
179.03494	100.0
180.03851	3.1
191.01932	0.7
191.07137	12.0
192.07503	0.7
193.05032	0.7
194.05832	94.7
195.06097	3.0
209.02802	1.3
209.04561	10.9
209.08167	37.6
210.08519	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0818
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
57.03443	4.2
59.01376	3.4
59.63061	0.4
63.94024	0.4
67.01862	1.3
69.03459	6.0
71.01363	1.0
75.82749	0.4
80.02658	2.0
81.03002	0.5
81.03458	6.6
83.01392	3.2
83.05012	0.9
85.02948	4.2
89.02405	0.4
93.03436	1.2
95.05029	9.1
97.02917	1.6
97.06590	9.0
98.20654	1.5
99.04499	2.0
105.07109	2.1
107.05013	1.9
109.06556	3.4
110.15105	0.5
120.49799	0.4
120.54551	0.5
121.02963	3.2
121.06591	7.2
122.03738	11.2
123.04572	3.8
123.08162	24.2
124.08507	0.9
125.02433	5.3
131.05054	0.6
133.01375	0.5
135.08255	0.5
136.83249	0.5
137.06073	8.7
137.09685	2.0
138.06403	0.6
139.03943	1.2
141.05553	1.1
147.04634	0.5
147.08159	5.0
150.06859	1.5
151.03981	1.0
161.02451	2.1
165.05586	3.8
165.09200	100.0
166.09554	5.2
167.03482	9.5
176.04770	0.8
179.03468	3.9
181.05067	1.0
191.02040	0.9
191.07094	1.2
194.05794	2.6
209.01176	0.8
209.03006	0.9
209.04573	20.9
209.08148	19.4
209.15463	1.3
210.04910	1.4
210.08554	1.2
224.40417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0667
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
54.23890	1.0
55.01884	2.7
57.03193	1.7
57.03452	21.7
58.00614	1.4
59.01379	20.8
61.98844	3.2
66.71079	1.2
68.99802	1.5
69.44646	8.7
71.01385	9.5
72.99297	1.7
73.02956	3.1
78.95918	1.3
83.01392	3.3
84.02159	5.8
85.02951	69.3
86.00098	1.2
87.00882	20.4
89.02439	4.7
92.98994	1.1
96.95997	1.2
97.02995	1.3
99.00841	2.4
101.02428	3.7
111.00864	7.2
113.93873	1.1
114.03429	1.3
114.05592	1.4
129.01942	36.1
131.03571	1.3
131.04643	1.1
131.08266	56.3
133.01425	4.7
135.03029	2.9
139.23132	1.1
141.01924	4.8
156.07755	3.9
159.02992	9.6
173.10428	44.5
174.10762	1.4
179.31610	1.0
181.50162	1.2
191.05632	1.5
209.06662	100.0
210.07013	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.7
57.03451	28.3
58.99600	1.0
59.01112	1.7
59.01383	22.3
61.12310	1.0
69.03435	1.4
69.98606	2.5
71.01389	14.6
72.99304	3.3
73.02951	3.1
74.99094	1.9
75.00857	1.6
83.01411	5.8
84.02182	7.1
85.02953	88.9
86.00110	1.5
86.03269	1.6
87.00877	24.0
87.04519	1.7
89.02452	6.7
95.05038	1.4
96.95988	1.9
97.02959	2.0
99.00891	4.7
101.02439	3.2
102.49995	1.1
111.00871	7.2
112.98858	1.0
120.99679	2.5
121.02979	1.4
122.99252	8.5
129.01944	40.1
131.08292	8.6
133.01443	3.7
141.01935	4.6
142.99863	4.5
159.02980	9.8
165.09171	1.3
173.00847	1.7
173.10417	7.8
191.01997	5.9
194.16743	1.0
201.46028	1.2
209.03056	5.4
209.06660	100.0
210.06963	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10777	0.3
55.01876	0.7
55.99097	0.3
57.03445	2.0
57.39756	0.3
58.95932	0.4
59.01376	2.3
65.00336	0.7
65.03970	0.6
67.01892	2.3
68.99823	1.6
69.03468	1.7
69.62019	0.8
69.62428	1.4
71.01378	0.7
71.05017	1.0
79.01904	1.2
79.13338	0.4
80.02672	1.7
81.03457	20.9
83.01387	14.3
85.02940	2.1
93.03454	2.9
93.07108	0.4
95.01357	0.4
95.05026	46.3
96.05370	1.4
97.02953	6.5
98.20581	0.8
99.04523	10.1
105.03455	1.1
107.01401	1.0
108.02148	1.0
109.02934	0.7
109.06596	1.9
119.05042	1.1
121.02964	4.2
121.06597	0.6
122.03745	9.4
123.00906	0.9
123.04531	19.3
124.04819	0.5
125.02447	31.4
126.02787	0.5
137.02493	1.1
137.06082	46.4
138.06432	1.4
139.03038	0.7
139.04021	7.2
141.05600	3.4
147.04541	1.3
149.02481	0.9
150.03227	0.6
151.00389	0.5
151.03976	0.4
161.02399	0.5
163.04053	0.7
163.46808	0.3
165.01932	2.1
165.05573	8.8
166.02737	0.9
167.03502	53.6
168.03850	2.1
176.04703	0.4
179.03522	1.3
181.05083	6.0
182.02208	0.3
191.03557	0.7
193.01421	0.9
194.05876	1.1
209.04553	100.0
210.04893	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	208.9858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	25.1
59.01372	42.8
61.36301	3.1
61.98824	3.3
68.82426	2.7
71.01373	29.1
71.22718	5.2
72.99303	18.6
73.02946	3.5
75.00876	9.0
78.95901	4.3
79.95754	3.5
80.96513	12.3
83.01388	11.9
83.05011	5.0
83.26036	2.8
85.02945	55.3
87.00874	17.9
89.02431	14.2
93.03465	5.6
96.96005	13.3
99.00873	6.4
101.02447	10.7
104.05054	10.3
108.93771	2.9
110.92667	3.0
110.93446	60.7
111.00902	16.5
112.98814	14.6
119.03466	5.9
121.02956	31.8
123.08219	4.2
124.04028	7.9
124.30235	2.5
124.89491	3.4
127.02159	2.7
129.01942	6.4
130.05043	3.4
132.54596	3.2
133.01422	6.3
136.96683	4.6
137.02533	3.4
142.99864	68.2
147.03000	3.1
148.04056	12.3
148.93172	5.0
152.91695	3.3
164.94255	2.9
165.05560	6.0
166.02721	3.9
166.05107	17.4
166.08691	4.5
166.92409	100.0
166.94186	6.1
173.00926	20.7
179.03445	7.1
191.01958	11.2
194.02220	4.7
194.05731	5.7
208.93581	15.5
208.95294	4.0
208.98578	18.3
209.01228	3.4
209.02933	12.0
209.04816	19.0
209.06569	6.9
209.08224	7.0
209.11888	15.3
209.15414	17.3
209.97519	7.7
210.00827	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	207.1027
Annotation	Isoelemicin
Peak:m/z	Relative Intensity
53.73336	0.6
55.01881	6.6
57.03455	1.2
57.72736	0.6
58.02975	1.6
59.01079	1.1
59.01383	23.4
59.91851	0.6
61.98835	7.8
67.01879	0.7
69.87650	1.5
69.88064	2.2
71.01403	2.2
74.01286	0.6
75.00887	2.6
79.01916	1.4
79.95757	0.8
85.02978	1.3
89.92622	1.4
91.01920	1.2
93.03475	0.8
95.05062	1.6
97.06597	14.5
99.00919	1.1
101.02459	1.1
117.01897	0.6
119.02537	0.6
119.05040	0.9
121.02963	1.0
121.06584	1.6
122.02544	0.9
122.46201	0.6
123.04525	2.1
129.01932	5.7
133.03018	1.3
133.06631	0.7
135.00903	1.0
135.04553	0.8
147.02983	3.8
149.02451	2.0
163.00365	1.5
163.11295	100.0
164.11635	4.6
164.89552	1.3
165.07539	0.6
167.79979	0.6
177.00513	1.2
177.01924	12.6
178.99933	0.8
179.03508	1.2
192.00574	0.8
192.04291	17.9
193.04877	0.7
193.21352	0.7
206.97437	1.0
206.99332	1.5
207.01158	2.1
207.02991	2.3
207.06807	5.5
207.10254	35.5
207.13637	3.5
208.10583	2.3
224.10271	0.7
228.87253	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0663
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
58.02978	2.3
58.94449	0.3
59.01382	2.4
59.03303	0.7
71.12862	0.7
75.00866	0.4
77.03950	1.1
87.82554	0.3
93.03465	2.9
95.05031	2.0
105.03461	1.5
119.05035	1.7
121.02949	5.4
123.04519	4.9
129.01958	0.6
133.73221	0.3
135.00871	0.7
147.02913	0.4
148.04826	0.7
149.02441	18.2
150.02821	0.5
163.00357	2.0
163.03987	1.7
164.07118	0.4
165.07513	1.4
172.01266	0.3
177.01929	96.4
178.02246	2.6
191.03534	2.0
192.04283	100.0
193.04604	3.9
207.03085	1.1
207.06633	29.2
207.08400	1.6
208.07011	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1025
Annotation	12-Hydroxyjasmonic acid lactone
Peak:m/z	Relative Intensity
50.51601	0.6
53.25547	0.5
57.03448	100.0
57.78139	0.6
58.02950	0.6
58.03771	1.9
59.01378	10.5
67.01936	0.6
69.44315	4.4
71.01384	1.5
75.00872	2.1
83.05037	2.7
85.02940	1.2
91.01929	0.8
93.07124	0.7
97.99294	0.6
99.00914	0.9
129.01930	3.4
143.04970	0.6
147.02971	2.1
150.06891	3.1
163.00343	0.7
163.11301	3.9
166.40823	0.8
177.01949	2.1
178.99768	1.6
189.82454	0.7
192.04324	3.3
206.99327	1.5
207.01154	0.9
207.03061	1.0
207.04958	1.4
207.10252	38.9
208.10616	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	207.0663
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
57.03452	2.0
58.02958	0.6
59.01380	6.4
62.62032	0.3
65.00330	0.4
71.01373	0.6
71.55108	0.6
75.00869	1.2
77.03984	1.1
83.05074	0.3
85.02971	0.4
93.03461	3.2
95.05038	1.7
97.31956	0.3
105.03452	1.3
119.50333	0.3
121.02942	4.9
123.04528	6.2
129.01955	0.6
133.02943	0.5
133.05803	0.7
147.03006	0.9
149.02444	17.5
150.02850	0.5
163.00377	0.5
163.04022	1.2
177.01932	99.4
178.02261	3.1
191.03587	1.9
192.04283	100.0
193.04593	4.5
207.01268	0.7
207.06627	30.3
207.10242	2.2
208.06973	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
61.98829	100.0
62.98529	0.2
69.72227	0.5
73.06206	0.1
75.00859	0.1
107.40063	0.1
129.01924	0.2
147.02974	0.2
162.98477	1.4
164.96399	0.2
177.01904	0.4
192.04222	0.5
206.97444	8.9
207.06737	0.2
207.97650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32567	0.3
59.01385	3.5
59.45399	0.4
60.31274	0.3
68.68746	0.3
69.31344	1.2
69.31768	1.9
71.01394	0.3
74.14526	0.3
87.00887	0.8
108.77353	0.3
119.01725	10.1
120.99657	100.0
122.00001	1.4
129.01933	0.9
147.02951	0.8
147.91800	0.3
149.02328	0.4
163.04027	0.5
177.01903	1.7
192.04271	1.9
207.03317	6.4
207.05099	0.3
207.06686	1.0
215.92499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0661
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
55.27328	0.7
58.35614	0.7
59.01379	91.3
60.01729	1.1
69.38364	3.4
69.38784	3.1
70.50042	0.8
72.99300	8.7
103.05538	5.5
110.47224	0.8
119.05013	9.6
147.04515	100.0
148.04848	2.5
165.05563	90.8
166.05893	3.4
207.01079	1.1
207.06656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75691	0.4
58.02977	100.0
59.01381	3.8
59.03317	0.7
69.63860	2.1
69.64261	0.8
88.82993	0.4
94.84476	0.4
103.05525	1.1
112.83537	0.4
147.04497	0.8
160.07710	0.5
160.44528	0.4
162.09259	0.5
164.07167	31.1
165.07500	1.0
166.83531	0.4
195.07153	0.4
206.08218	29.8
207.08496	0.8
223.35095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	100.0
59.01372	2.5
59.03308	1.0
70.02988	1.0
71.25081	1.1
72.00876	0.6
74.79388	0.5
91.05548	0.7
103.03693	0.5
126.14522	0.5
147.04504	4.6
162.09149	0.6
164.07159	47.1
165.07494	1.5
194.84573	0.6
206.08212	55.8
207.08556	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	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83864	0.6
58.02976	38.6
70.02983	11.5
70.20642	2.4
72.00907	5.9
91.05531	15.4
94.94754	0.6
95.18571	0.6
103.05527	3.1
107.56741	0.7
117.31758	0.6
119.04945	0.9
120.48806	0.5
135.04524	0.9
143.03278	0.7
147.04521	35.8
148.04782	1.3
162.09221	1.0
164.07161	100.0
165.07516	3.3
206.08215	44.6
207.08528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1596
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
53.57759	0.1
58.02971	0.3
59.01370	0.6
61.98813	0.2
70.95697	0.3
71.01382	0.4
71.09074	0.1
72.99274	0.2
75.00864	0.3
75.79691	0.1
87.00874	0.2
89.99841	0.2
99.00889	0.3
111.00834	0.1
115.00372	0.4
133.03004	0.2
164.07092	0.2
189.12891	1.6
205.15965	100.0
206.16319	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	206.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41900	0.4
58.02975	100.0
59.01377	3.4
69.57292	2.8
74.59011	0.4
83.63210	0.4
98.20671	0.5
103.05531	0.6
106.32568	0.4
115.18505	0.4
115.87679	0.4
140.65500	0.4
147.04482	2.1
164.07155	33.6
165.07419	0.7
206.08217	30.8
207.08517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.8
57.03432	6.5
58.00604	2.9
59.01381	56.5
60.99308	2.6
68.19794	1.9
68.99815	7.3
70.42818	6.2
70.43211	4.7
71.01384	66.8
71.01780	3.4
71.34617	2.4
72.99309	31.3
73.02953	11.6
75.00885	23.3
83.01384	14.9
85.02956	6.8
85.58320	2.2
85.88039	2.2
87.00883	26.5
87.04553	2.3
88.98804	3.2
89.02454	10.6
96.99332	3.7
99.00881	43.2
100.98821	5.5
101.02415	7.6
103.00383	3.7
105.99307	2.2
111.00886	17.5
112.98816	100.0
115.00370	58.6
117.01941	13.2
124.98804	8.9
125.02448	2.8
127.00369	5.9
129.01959	15.2
133.01431	2.4
142.99852	18.3
145.01445	21.3
154.99805	10.6
157.01384	2.3
173.00891	9.9
175.02441	5.3
205.03493	3.1
205.15921	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	205.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20023	0.4
53.54676	0.3
55.01895	1.0
57.03444	1.9
59.01382	100.0
60.01718	0.5
67.01904	0.9
68.99829	0.5
69.03456	1.0
69.88584	0.8
69.88989	1.1
70.02972	0.5
71.01388	6.7
71.05026	3.9
72.99308	11.5
72.99696	0.8
73.02950	18.0
74.02472	0.7
75.00877	3.8
76.22551	0.4
81.03457	7.6
83.01390	3.4
83.05032	5.2
84.15651	0.4
85.02944	5.3
87.00882	11.2
94.02536	0.4
96.00917	1.5
97.06577	1.6
99.00885	7.2
99.04518	7.1
101.02450	4.5
111.00887	15.3
112.98812	0.4
113.02481	1.4
114.01978	1.7
115.00401	3.8
115.04017	3.4
117.00180	0.4
117.01926	1.6
124.98810	0.7
125.02451	32.7
125.06045	0.4
126.02776	0.5
127.04023	5.1
129.01942	0.6
131.03529	0.9
133.04916	0.4
142.99864	1.0
143.03525	4.2
143.07141	1.7
145.01427	3.1
145.05074	18.8
147.03285	0.5
154.99811	0.7
161.02411	0.5
161.04526	0.9
161.06049	0.7
162.89323	0.7
163.06148	2.1
169.01476	0.7
173.00945	0.8
175.02690	1.2
177.01889	0.6
187.02542	1.8
187.06012	2.9
199.55148	0.4
204.90454	0.4
205.01622	0.8
205.03513	12.5
205.07123	5.2
205.08781	0.9
205.12334	0.8
205.15979	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	205.0354
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
55.01866	3.3
57.03439	4.1
58.02960	4.0
59.01380	43.6
60.52254	1.3
61.98832	2.1
67.01873	5.2
68.99809	3.2
69.03438	1.4
69.66611	3.3
69.67014	4.7
70.02974	6.6
71.01385	17.9
71.05020	11.3
72.99306	20.8
73.02946	11.8
75.00880	9.2
81.03454	13.3
83.01376	5.2
83.05032	3.8
85.02953	14.8
87.00883	41.5
89.02466	1.5
96.00910	10.2
97.06606	4.0
98.02493	2.4
99.00884	18.8
99.04521	15.9
99.86093	1.3
101.02439	16.3
111.00882	70.7
112.01225	2.2
112.98802	9.1
113.02448	1.7
113.03568	2.8
114.01981	22.2
115.00381	16.4
115.03989	6.1
116.27338	1.5
117.01928	3.4
124.98766	3.8
125.02454	100.0
126.02794	2.9
127.04015	2.1
129.01909	3.1
131.03587	2.5
131.04602	8.6
142.99847	5.3
143.03499	15.5
143.07094	3.8
145.01411	15.8
145.05086	8.6
145.06010	1.5
154.99841	6.3
159.08595	2.9
163.06136	1.9
173.00874	5.0
187.02441	10.5
187.07314	12.7
205.03537	36.8
205.07047	6.3
205.08960	8.9
209.26787	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	205.0354
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
53.85130	2.2
55.01870	9.4
57.03432	7.2
58.00591	4.2
59.01382	80.0
60.99317	3.4
61.98819	2.8
67.01892	4.8
68.99825	12.1
69.47117	15.3
71.01383	100.0
71.05006	6.2
72.99310	56.2
73.02936	14.1
75.00874	30.8
81.03440	5.5
83.01385	21.2
85.02951	14.8
87.00876	63.4
88.98788	5.5
89.02441	8.4
96.99289	7.5
98.00046	2.4
99.00885	44.3
99.04488	9.7
100.98829	3.9
101.02445	22.0
103.00383	7.1
111.00884	55.5
112.98815	46.5
115.00377	91.6
115.03998	6.3
117.01921	12.3
124.98811	13.8
125.02447	42.3
127.00357	12.3
129.01901	16.1
131.03491	3.5
135.96565	2.8
142.99852	21.7
143.03484	11.0
145.01422	30.4
145.04999	2.3
154.99847	14.8
162.89359	5.1
163.06078	4.9
173.00850	7.1
175.02507	5.6
187.02437	10.0
205.03513	28.0
205.05177	3.5
205.07135	2.3
205.08980	3.6
205.15918	4.6
216.21005	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	203.9999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57481	0.3
55.69253	0.3
59.01377	2.7
60.01717	0.6
61.01791	0.3
61.98830	100.0
68.99798	0.3
71.01378	0.8
71.53958	0.5
72.99331	0.3
85.02969	0.3
85.58691	0.3
87.00928	0.3
99.00878	0.4
110.98159	0.3
115.00394	0.5
160.04050	0.5
161.02510	0.4
161.89467	0.4
203.96228	0.3
203.99986	0.8
204.02997	0.5
204.08781	0.5
205.01381	0.4
205.05276	0.3
205.15929	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	204.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68588	0.5
57.03447	3.2
58.02977	15.0
59.01382	10.0
67.17598	0.5
69.03454	1.6
69.87775	1.2
69.88177	1.6
70.02980	1.0
71.01371	3.1
71.05029	3.7
72.00912	0.6
72.04545	2.0
72.99306	4.1
73.02944	2.0
74.02462	1.8
75.00868	1.3
81.03471	3.4
83.01380	0.7
84.04552	4.9
85.02949	13.6
86.06107	1.0
87.00870	7.2
88.04034	2.3
96.00919	1.4
96.04581	0.6
97.02989	0.9
97.06547	0.8
98.02473	4.8
98.06116	5.8
99.00921	3.0
99.04513	5.1
100.04047	13.8
100.07692	0.8
101.02440	5.4
101.35963	0.5
102.05585	0.6
108.04556	2.9
110.06116	2.4
111.00887	5.3
112.04038	1.8
112.07675	0.8
113.03526	0.5
114.01966	1.9
114.05614	2.8
114.09238	2.2
115.00377	1.6
115.04010	2.2
116.07177	15.8
117.01914	0.7
124.07675	3.3
125.02448	30.3
128.03615	1.1
128.07217	2.7
130.05049	0.6
130.08769	0.8
131.04623	1.1
132.06657	1.3
138.05602	3.8
140.07179	20.1
141.07478	0.8
142.08739	1.8
143.03444	2.8
143.07112	1.0
144.06680	1.6
145.01442	3.8
145.05074	1.2
158.08228	39.9
159.08607	0.9
160.06203	0.7
160.09766	0.8
162.07729	3.2
168.06676	3.4
169.65155	0.5
186.07707	21.6
187.02466	2.5
187.07266	1.7
202.07230	2.3
204.08765	100.0
205.03522	8.3
205.07007	1.1
205.09158	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	203.9998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.8
60.01714	2.3
60.37803	0.1
61.01804	0.8
61.98830	100.0
62.98535	0.1
63.33403	0.1
68.41512	0.1
69.26214	0.1
69.48076	0.1
84.11871	0.1
91.57694	0.1
95.50950	0.1
138.08961	0.1
160.03712	0.3
177.45183	0.1
203.98381	0.2
204.00017	1.1
204.02641	1.2
205.16147	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	203.0826
Annotation	Tryptophan
Peak:m/z	Relative Intensity
59.01375	1.9
69.81893	1.9
69.82287	1.2
72.00909	24.6
72.75452	0.6
74.02473	30.6
98.19926	1.2
116.05062	100.0
117.05396	3.8
130.06627	2.9
142.06621	26.1
143.06973	1.5
157.07646	1.3
159.09267	17.0
160.09657	0.9
161.04773	1.4
179.06599	0.6
186.05618	4.2
203.08252	66.9
204.08537	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	203.1288
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
53.39663	0.2
57.03452	3.2
59.01381	1.5
67.10529	0.2
70.57049	0.2
71.01369	0.2
71.05032	0.4
71.54172	0.3
71.54535	0.2
72.99311	0.6
83.05032	0.4
85.06598	0.3
103.92003	0.2
111.08154	1.5
113.09727	3.8
123.08157	1.2
127.11302	4.1
131.05045	0.3
137.09747	0.9
139.11292	1.6
141.09212	1.9
155.10783	7.9
156.11115	0.4
157.12334	39.1
158.06088	0.3
158.12692	1.9
159.57932	0.2
178.65823	0.2
185.11827	0.8
201.11226	0.9
203.12866	100.0
204.06651	0.5
204.13205	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	203.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	5.9
53.74273	1.0
55.01876	1.9
57.03436	4.6
59.01377	50.6
61.93658	1.2
61.98829	5.6
68.99821	2.9
69.03454	2.0
69.14108	1.1
69.57255	6.9
71.01010	2.1
71.01379	33.3
72.99301	4.7
73.02943	4.6
75.00872	22.7
80.99814	5.0
82.06623	1.8
83.01369	5.3
85.02945	6.7
87.00879	2.1
87.04492	1.3
89.02425	2.9
92.73064	1.1
95.05019	3.5
96.99314	3.2
97.02960	1.6
97.06573	6.7
98.00095	13.5
99.00276	1.6
99.00885	27.7
99.04588	1.3
101.02451	10.9
103.92034	14.2
104.21764	1.3
104.97746	5.7
112.98811	44.3
113.02446	32.8
114.02843	1.1
115.00345	1.4
115.07708	7.6
116.05058	15.7
117.01934	6.4
125.02435	5.8
125.99583	1.3
129.01872	2.3
130.94368	3.9
131.03494	20.8
131.04999	6.2
132.04506	1.8
140.98309	38.7
141.05569	22.5
142.99826	1.2
143.07144	4.6
144.30928	1.4
145.01419	8.0
147.04526	1.6
148.95427	2.7
153.16486	1.2
158.99376	6.4
159.03116	3.4
159.04465	2.6
159.06689	1.9
159.10310	1.3
160.04036	100.0
160.89252	4.0
161.08167	6.3
166.83322	1.5
171.03421	1.1
173.00917	14.7
175.03981	2.1
185.04559	24.8
188.04745	1.9
202.94095	3.3
203.01932	5.5
203.03531	7.6
203.05597	12.2
203.07135	1.9
203.09177	3.0
203.10901	2.6
203.12711	1.2
204.02960	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	202.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33955	2.4
57.03448	15.2
58.02974	48.4
59.01380	36.6
62.98763	2.0
69.03448	8.0
70.02974	3.5
70.85986	3.4
70.86320	2.7
71.01376	6.8
72.00924	3.9
72.04553	17.6
74.02468	8.6
79.95727	4.2
82.02999	4.5
83.01403	3.1
83.05038	2.8
84.04546	25.1
85.02946	17.1
86.06124	13.4
88.04023	2.7
96.04542	6.7
96.95983	2.6
97.02962	4.9
97.06644	2.8
98.02478	22.8
98.06114	32.6
99.00880	2.8
100.03362	3.6
100.04048	72.0
108.04529	13.7
110.06120	23.3
112.04053	2.5
112.07681	9.9
113.02460	3.4
113.06052	2.3
114.05628	12.2
116.07175	73.0
117.07574	2.6
124.00724	4.5
125.02463	2.4
126.05589	6.1
128.07190	32.5
130.08716	13.5
138.05589	18.6
140.03502	3.5
140.07182	75.4
141.05573	4.8
142.05092	8.9
143.03523	2.4
144.04573	12.8
147.03217	3.5
156.03053	13.5
156.06635	9.9
158.08223	81.2
160.06140	8.0
181.01729	4.9
184.02505	3.2
184.06108	5.8
185.04558	5.9
202.02946	11.0
202.07210	100.0
203.05623	7.5
203.07535	4.0
203.11951	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	202.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
58.02975	2.5
58.99595	1.9
59.01378	22.4
66.03471	1.0
67.60321	0.8
69.03455	9.5
69.28741	5.8
70.02971	3.7
71.01015	1.2
71.01384	17.1
72.99309	2.1
73.02947	1.5
74.02473	57.0
75.10574	0.8
78.95893	1.2
79.01888	1.9
79.95699	0.9
80.05060	2.0
81.02202	3.2
81.03455	1.0
82.02985	9.2
82.06633	1.4
83.01395	2.2
83.05017	2.5
84.00903	5.0
84.04548	16.4
85.02963	2.0
85.06608	1.0
86.06116	10.5
87.00893	1.7
87.04505	2.0
88.04032	11.3
92.05059	7.6
94.02982	1.8
95.05031	2.5
96.00912	1.5
96.04556	22.2
96.96961	2.4
97.02958	14.3
97.06580	4.5
98.02477	15.3
98.06126	1.2
99.00875	1.6
100.04049	9.1
103.92047	2.0
105.01920	1.2
108.04546	2.1
110.02467	7.9
110.06120	84.6
111.02040	0.9
111.06445	2.7
112.04063	13.6
113.02464	9.2
114.01991	5.7
114.05632	2.9
115.00358	1.8
115.03996	6.9
115.07661	6.5
116.07182	16.5
122.03401	0.9
125.02448	5.7
126.05614	27.6
128.03554	2.7
128.07188	1.5
129.01920	1.2
130.05086	4.3
131.04625	1.2
140.01877	4.9
140.03543	20.1
140.07175	4.2
141.01936	3.3
141.05579	16.3
142.05075	0.9
143.07132	6.2
154.05074	3.7
156.03029	100.0
156.06633	2.9
157.03346	2.9
158.04593	2.3
158.08231	18.2
159.06664	1.5
159.89352	3.9
160.89336	2.1
161.08173	9.0
184.02502	35.2
184.06091	12.0
185.02962	1.0
185.04536	16.7
202.03598	8.6
202.07208	82.2
203.01970	13.2
203.05603	8.3
203.07426	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	201.1131
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
50.63493	0.4
57.03445	0.8
59.01382	4.2
69.03474	1.0
70.97813	0.5
70.98179	0.8
71.05018	7.2
73.02966	0.9
74.74000	0.4
85.02962	2.1
95.05048	0.8
97.06586	9.6
109.06558	0.4
111.04555	0.5
111.08167	2.7
114.07577	0.4
122.81515	0.4
123.08165	10.2
125.09748	0.7
128.56900	0.4
137.09726	2.7
139.11284	93.7
140.11600	2.8
157.12329	5.4
182.64531	0.4
183.10214	3.2
201.11307	100.0
201.90289	0.7
202.11598	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	201.1496
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
57.03453	0.5
58.34916	0.4
59.01379	14.7
61.98829	2.6
69.03442	1.1
69.22507	2.3
69.22938	2.0
71.01397	0.7
73.02947	0.6
87.04504	0.8
89.69836	0.5
91.83630	0.4
95.01382	0.9
98.19836	1.0
99.92571	2.8
116.92880	1.6
117.03516	0.6
125.09707	0.9
139.11276	2.1
141.01956	0.5
141.93646	3.1
155.14421	4.7
157.01379	0.5
157.08691	0.5
158.03624	0.6
159.89368	0.6
164.83571	3.1
166.83330	1.0
173.06013	2.9
183.10208	0.7
183.13884	2.1
199.13374	1.3
200.90401	0.5
201.02397	1.8
201.05556	2.9
201.11261	4.8
201.14954	100.0
201.80241	2.4
202.15291	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	201.0405
Annotation	cis-(Homo)2-aconitate
Peak:m/z	Relative Intensity
56.41742	0.6
57.03447	1.0
59.01382	7.2
61.98830	0.8
67.05521	0.7
69.03459	1.7
70.03008	0.8
71.01379	1.7
71.53812	0.9
73.02957	1.7
74.02470	1.9
79.95749	1.0
81.03459	11.5
82.03004	1.4
83.05048	1.4
84.04549	1.6
85.02945	1.3
85.06608	4.5
86.02486	0.7
86.06126	1.6
87.00878	1.2
88.04044	1.2
95.05019	13.2
96.04577	1.5
97.02943	1.1
97.06627	0.7
98.02498	1.0
98.06093	1.1
99.04546	0.9
100.04040	1.3
101.02423	0.8
110.02457	0.8
110.06126	3.1
111.00889	1.1
111.04513	2.4
112.04012	0.8
113.02451	0.8
113.06090	43.7
114.01926	0.6
114.06412	1.1
116.07201	1.9
121.02998	0.9
121.88721	0.6
124.00791	1.4
124.01656	2.3
125.02444	15.7
126.05617	1.2
127.04063	1.1
129.01912	0.6
129.05583	30.8
130.08742	3.8
139.04016	100.0
139.05864	2.6
139.11281	1.0
140.04387	1.7
156.03017	5.5
157.05074	18.0
157.07719	0.9
157.13464	1.0
158.08203	2.0
159.03024	1.4
159.06665	1.1
171.02966	1.1
173.06026	0.9
184.02466	2.2
201.02341	1.3
201.04051	24.2
201.05811	1.1
201.07710	2.0
201.09465	0.8
201.11330	2.8
202.07285	3.7
202.10851	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0557
Annotation	4-Hydroxy-5-methoxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
59.01376	18.4
61.98825	3.6
69.03453	0.5
71.01395	0.4
71.01980	0.6
71.02323	0.8
73.02932	0.6
78.35352	0.4
85.02940	0.6
87.04524	0.6
95.01393	0.6
99.00890	0.4
99.92587	5.6
100.65278	0.5
102.92369	0.4
104.19685	0.4
110.97006	0.8
111.88840	0.4
113.02489	0.6
116.92864	7.4
117.03456	1.0
125.09621	0.5
129.10378	0.4
139.11258	1.6
141.93633	3.8
157.03609	0.6
158.03732	10.6
158.89246	0.8
163.83920	0.8
164.83611	9.8
165.83664	1.3
166.83344	3.0
173.06065	99.0
174.06375	3.9
186.03130	0.5
190.02725	6.3
200.85040	0.6
200.90491	1.0
201.05559	100.0
201.11183	4.2
201.14989	0.9
201.80165	5.6
201.95830	0.4
202.05904	4.3
202.11780	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	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12026	0.3
54.91108	0.3
59.01382	100.0
60.01725	0.5
64.81783	0.3
70.89436	0.7
72.47627	0.3
106.61026	0.3
157.03572	7.0
158.03734	0.3
159.01534	1.8
189.71254	0.3
200.71614	0.3
201.02551	19.3
202.02628	1.4
206.97328	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0929
Annotation	L-Dihydroanticapsin
Peak:m/z	Relative Intensity
55.01900	0.9
57.03454	2.0
70.84786	1.0
70.85116	0.7
72.04543	10.4
83.00944	0.6
83.01407	1.7
96.51490	0.6
104.94142	0.6
110.64304	0.5
118.48148	0.5
126.09261	5.5
128.10822	100.0
128.93874	0.5
129.10342	0.6
129.11183	2.4
129.14491	0.6
132.21666	0.5
136.61539	0.5
154.08743	33.6
155.09088	1.0
156.10300	42.7
157.10619	1.3
200.09280	34.1
201.09711	1.1
210.79129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28563	0.6
56.19695	0.5
59.01382	6.4
59.05539	0.6
61.98834	0.8
66.03487	1.3
69.03468	0.8
70.97530	1.4
73.02991	0.8
81.03469	1.5
82.02982	0.8
83.05037	2.5
84.04555	7.7
85.02946	1.2
85.06606	0.7
88.04051	2.2
92.05065	9.0
94.02995	1.8
94.06635	13.6
95.05017	0.9
108.04551	3.5
110.02497	1.7
110.06120	20.9
111.04527	1.6
112.07699	0.7
113.06097	3.1
125.02456	0.7
128.03540	1.7
129.05569	2.1
138.05617	100.0
139.04018	7.2
139.05946	2.0
156.06667	12.0
156.07936	0.7
156.10185	0.8
157.05087	1.4
172.04106	0.8
177.39122	0.6
181.07123	0.6
188.64624	0.5
200.05647	41.9
200.09210	4.6
201.04099	1.4
201.06334	0.7
201.12419	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	197.1547
Annotation	cis-2-Dodecenoic acid
Peak:m/z	Relative Intensity
59.01376	2.6
60.47702	1.0
61.98819	8.6
65.00330	5.1
66.03483	1.7
68.99833	1.5
71.01377	1.9
71.54312	1.5
71.54694	1.4
82.02966	2.9
85.02949	2.1
89.00342	1.6
91.68242	1.4
95.01372	8.0
96.96019	2.0
97.02961	1.2
99.92585	1.9
106.00619	1.3
109.02925	5.7
110.02496	2.0
112.01778	1.5
116.92864	13.4
121.02954	8.1
123.00896	29.5
125.02460	3.7
126.01941	1.3
126.90507	15.6
134.86545	2.2
138.03247	9.2
153.01959	4.5
153.05594	8.7
160.84218	27.2
161.84311	2.1
162.83910	72.4
166.99866	23.1
178.99843	8.8
182.02219	51.7
183.02568	2.1
196.89392	2.3
196.91107	1.5
197.00751	3.1
197.02339	1.8
197.04570	15.9
197.08308	2.7
197.11841	6.9
197.15469	100.0
197.78958	2.5
197.80780	40.4
198.07739	1.8
198.15793	3.6
215.43494	1.2
219.86635	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28563	0.6
56.19695	0.5
59.01382	6.4
59.05539	0.6
61.98834	0.8
66.03487	1.3
69.03468	0.8
70.97530	1.4
73.02991	0.8
81.03469	1.5
82.02982	0.8
83.05037	2.5
84.04555	7.7
85.02946	1.2
85.06606	0.7
88.04051	2.2
92.05065	9.0
94.02995	1.8
94.06635	13.6
95.05017	0.9
108.04551	3.5
110.02497	1.7
110.06120	20.9
111.04527	1.6
112.07699	0.7
113.06097	3.1
125.02456	0.7
128.03540	1.7
129.05569	2.1
138.05617	100.0
139.04018	7.2
139.05946	2.0
156.06667	12.0
156.07936	0.7
156.10185	0.8
157.05087	1.4
172.04106	0.8
177.39122	0.6
181.07123	0.6
188.64624	0.5
200.05647	41.9
200.09210	4.6
201.04099	1.4
201.06334	0.7
201.12419	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	197.1547
Annotation	cis-5-dodecenoic acid
Peak:m/z	Relative Intensity
55.01873	0.5
57.03447	2.2
59.01373	0.3
59.60764	0.2
69.03473	1.3
70.69581	0.6
83.05046	1.0
88.38770	0.2
95.01398	0.6
95.42278	0.2
103.95526	0.2
109.02937	0.3
109.06570	0.5
111.08144	0.3
121.02962	0.9
123.00877	2.6
123.04530	0.3
123.08163	5.0
125.09795	0.3
126.90524	0.4
137.09734	0.4
138.03175	0.6
139.11290	16.3
140.11571	0.3
141.12874	2.1
151.11275	2.2
153.01913	0.2
153.05580	0.8
161.09714	0.3
166.99829	1.8
167.14412	10.2
168.14764	0.3
168.29526	0.2
169.15965	0.6
177.12891	0.7
179.10803	0.3
179.14449	2.4
182.02190	4.4
183.02553	0.4
185.11890	0.2
195.13892	4.9
197.04626	1.6
197.15460	100.0
198.15791	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18649	0.5
61.98826	3.1
66.03474	0.4
69.03450	0.7
70.55026	1.0
71.05017	1.2
71.90604	0.4
78.95907	0.5
81.69991	0.5
95.01395	1.2
95.77407	0.4
97.06587	13.3
99.08147	3.9
109.06605	0.6
112.01681	0.5
116.92862	2.1
120.44710	0.5
121.02939	1.3
122.03741	1.8
123.00872	4.3
125.02443	0.5
125.09731	0.7
126.03214	0.8
126.90520	1.9
137.02446	0.7
137.09647	2.2
138.03198	1.1
151.11313	1.1
153.05621	1.0
153.12843	100.0
154.13179	3.9
159.00500	0.4
160.84209	12.4
161.84245	0.8
162.83905	33.2
166.99861	3.7
169.12361	0.7
172.82402	0.5
178.99878	0.6
179.10764	23.7
180.11137	0.5
182.02220	8.6
184.47083	0.5
197.02098	0.8
197.04637	2.3
197.08127	0.5
197.11818	12.1
197.80782	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	195.139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	25.4
59.01359	0.2
69.03450	0.3
69.52786	1.6
71.05006	0.3
73.74007	0.2
83.05026	4.3
85.06592	0.7
95.05008	0.4
97.06575	1.7
99.08127	0.3
101.06110	0.3
109.05891	0.4
109.06591	4.8
111.08150	1.2
112.47555	0.2
121.06562	0.7
121.10351	0.3
122.03753	0.3
123.08163	5.3
134.07379	0.9
135.08183	0.4
137.09723	5.4
138.86671	0.2
139.11281	3.3
140.11499	0.3
149.09712	8.4
150.10069	0.4
151.07674	0.3
151.11278	4.7
152.11655	0.4
152.61099	0.2
161.09694	0.7
163.11302	0.6
165.12845	7.5
167.14426	3.7
177.09206	0.3
177.12842	5.1
179.10754	2.1
180.11482	0.3
193.12338	0.6
195.13890	100.0
196.14217	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	197.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00318	0.9
58.87857	0.7
59.01366	2.1
61.98835	8.7
65.99839	2.8
66.03459	0.9
67.01884	1.4
68.99835	1.0
71.05032	0.9
76.01925	1.6
78.03036	0.7
78.03483	2.7
78.95905	1.8
81.03417	0.8
83.01379	0.8
92.01416	1.2
92.52596	0.7
92.99812	1.1
94.02981	2.1
95.01389	6.4
96.96038	0.9
98.19952	2.0
103.97667	1.3
104.01427	2.6
104.99809	1.0
106.03005	1.0
107.04965	0.8
108.02220	1.3
109.02975	3.9
110.00080	1.3
112.01656	1.3
116.92858	8.9
120.00916	2.9
121.02963	5.1
122.02477	2.0
123.00889	19.8
125.02458	1.8
126.90500	6.8
132.00969	0.9
133.01709	2.4
136.00427	1.0
137.02469	2.3
138.01987	2.4
138.03232	4.7
150.01979	6.4
153.01936	3.0
153.05566	5.9
153.09216	1.6
153.12791	1.0
160.84215	20.2
161.84271	2.3
162.83922	54.1
163.01512	1.3
166.99857	14.6
167.01074	1.2
167.02171	1.4
170.87720	0.8
179.00978	2.5
180.01740	4.8
182.02219	33.3
183.02588	1.0
183.42456	0.7
196.89500	2.0
196.91119	0.8
197.02049	100.0
197.04555	9.2
197.08109	1.6
197.11784	5.8
197.80801	35.9
198.02359	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	197.0203
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
59.01365	0.8
61.98831	5.3
64.01926	0.8
65.00333	0.7
65.03952	1.7
66.03480	0.6
69.03437	0.4
71.54332	0.5
72.57898	0.4
78.95906	0.5
80.96518	0.5
81.03461	0.9
85.02943	0.9
88.01936	0.4
93.03471	0.9
95.01375	3.1
97.02945	0.6
109.02950	11.8
111.00890	0.6
111.04523	0.5
112.01623	0.5
116.92872	4.7
121.02961	3.4
122.02477	0.9
123.00876	11.8
125.02422	0.7
126.90516	4.1
134.86493	0.5
137.02437	17.2
138.01965	1.1
138.03210	2.5
139.00360	0.6
140.03525	2.8
150.01985	3.5
153.01941	1.1
153.05542	3.2
153.09280	0.7
153.12837	0.6
154.08746	0.6
160.84204	25.9
161.84268	2.9
162.83907	76.9
166.01512	0.6
166.99878	7.6
167.02214	8.2
169.12276	0.5
178.99849	1.8
179.70892	0.5
180.01775	13.0
182.02208	19.9
196.81070	1.5
196.89487	0.7
196.91080	0.6
197.02032	100.0
197.04471	4.5
197.11769	3.3
197.15532	0.6
197.80791	43.2
198.02341	2.5
212.00772	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	195.139
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
52.10468	0.3
59.01382	2.3
61.34750	0.2
61.98830	3.8
64.43223	0.2
65.20074	0.3
66.47822	0.2
68.99574	2.2
71.54597	0.3
79.17696	0.3
80.96519	0.6
87.00871	0.3
96.96021	0.3
101.00209	1.3
103.92037	0.5
109.06580	3.6
111.08150	2.9
112.98571	2.9
114.05611	2.5
116.92867	1.2
121.02999	0.3
122.03751	0.3
123.00921	0.5
125.09713	1.0
132.86809	0.3
137.02466	0.3
138.06882	0.7
148.86026	0.4
149.85864	0.6
150.03165	0.5
151.03946	0.5
151.07642	0.4
151.11284	0.9
152.91774	0.3
153.92268	0.4
158.84715	0.8
159.89246	0.3
160.84210	37.0
165.01869	0.5
165.05592	0.5
167.14407	5.5
176.89519	6.4
176.98332	0.3
177.90483	1.3
179.10779	4.4
180.04321	0.6
194.90546	8.0
194.99391	0.4
195.03065	0.6
195.06654	0.8
195.13893	100.0
195.81091	15.7
195.82959	0.5
195.90546	0.9
195.93314	0.5
196.14227	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.139
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
57.03448	45.7
59.01373	0.6
61.73551	0.6
61.76238	0.5
67.53623	0.5
70.96761	1.2
71.05031	0.6
83.05027	20.5
85.06583	1.1
97.06565	0.9
107.05038	1.2
109.06589	3.0
111.08188	0.9
121.06606	0.7
123.04478	0.6
123.08162	9.5
134.07327	0.6
135.08174	2.1
137.09714	8.7
139.11284	8.8
142.91768	0.6
149.09709	13.3
151.03893	0.7
151.11269	4.2
161.09709	1.9
165.12831	6.1
167.14389	2.5
177.12846	6.9
179.10799	4.4
179.29843	0.5
188.82956	0.6
193.12341	1.0
195.03018	1.2
195.13901	100.0
196.14235	4.1
213.60300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.139
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
57.03449	49.8
60.94254	0.5
67.44908	0.5
69.03474	0.8
74.34312	0.5
77.25486	0.6
80.80412	0.5
83.05025	24.3
83.67109	0.6
85.06601	0.9
97.06551	1.1
109.06593	2.6
111.08157	1.1
121.06581	0.9
121.10262	0.7
123.08169	11.1
134.07426	0.9
135.08209	2.4
137.08755	1.0
137.09723	9.4
139.11282	9.0
149.09727	14.9
151.11272	3.9
161.09718	2.0
165.12843	7.2
167.14380	2.1
177.12817	6.0
179.10767	4.6
193.12321	0.7
195.13898	100.0
196.14233	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	195.1026
Annotation	Ficusic acid
Peak:m/z	Relative Intensity
54.93200	0.3
55.01892	0.4
59.01379	2.4
61.98830	2.0
66.28278	0.3
68.99574	0.9
69.51523	1.4
79.01908	0.3
81.03472	0.9
83.05085	0.3
93.03455	1.1
95.05048	1.3
97.06596	2.1
98.02512	0.3
98.20654	0.3
109.06622	0.3
112.98553	1.3
121.02973	0.4
122.03811	0.3
130.99249	0.4
133.10207	0.4
136.05305	0.3
137.02411	0.3
149.09715	0.7
150.03281	0.6
151.11282	100.0
152.11638	2.7
158.84674	0.5
160.84210	17.5
164.98296	0.3
165.01930	0.4
165.05557	0.5
176.89580	0.4
180.04271	0.7
194.90511	0.4
195.03017	0.7
195.06631	0.9
195.10255	14.2
195.81114	7.3
196.10580	0.6
199.89134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
55.01888	0.7
57.03449	49.2
58.03795	0.8
64.04016	0.7
70.43619	2.3
70.43964	0.7
71.59412	0.6
75.00868	1.2
83.05024	23.3
85.06580	1.0
95.05042	0.9
97.06604	0.9
98.20539	0.9
102.32338	0.6
104.16279	0.6
109.06572	1.8
111.08170	0.9
121.06567	1.3
123.08176	12.1
125.00880	0.7
129.70409	0.7
134.07341	1.2
135.08151	1.7
137.09731	9.4
139.11302	8.3
149.09723	14.5
151.11270	3.5
161.09744	1.0
165.12828	7.9
167.14415	3.5
177.12848	6.5
179.10730	4.7
193.12379	0.9
195.05122	1.2
195.13899	100.0
196.14258	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	195.051
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
55.01876	1.5
57.03448	5.7
58.00600	1.6
59.01380	24.4
60.89648	1.3
61.98828	2.2
69.35313	5.3
69.35745	5.0
69.73541	1.2
71.01389	15.4
72.99313	6.7
73.02936	2.1
75.00875	81.8
78.95911	15.7
83.01408	2.7
85.02952	7.9
86.62357	1.3
87.00880	42.5
89.02434	10.8
96.96011	4.9
96.96970	23.5
99.00873	9.7
101.02459	4.3
105.01939	46.7
111.00889	5.0
113.02457	2.0
129.01942	43.0
141.01967	3.0
147.03026	14.9
159.02994	12.0
177.04048	20.4
195.05103	100.0
196.05473	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	195.051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	7.1
59.01379	27.9
71.01390	13.6
71.52903	2.3
72.99310	7.2
75.00875	84.6
78.95912	14.9
85.02949	8.2
87.00874	40.5
89.02445	13.5
90.84698	2.4
93.72330	2.0
96.96018	3.4
96.96970	26.1
99.00883	10.9
101.02410	2.7
105.01940	53.4
111.00891	6.4
129.01944	43.6
142.17192	2.1
147.02988	19.7
159.02995	7.2
177.04042	24.4
195.05093	100.0
196.05437	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	193.1234
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
50.08634	0.5
53.76630	0.5
55.01880	1.1
57.03451	100.0
58.03757	1.5
59.01382	4.1
67.01894	1.1
69.03459	8.5
69.36265	4.6
69.87648	0.6
71.01380	6.2
72.99315	0.7
73.02940	6.5
76.12593	0.6
79.01926	0.7
81.03484	0.7
83.01396	1.8
83.05038	1.1
85.02954	6.1
85.27700	0.5
86.00126	1.0
86.69623	0.5
87.00885	5.2
87.04559	0.8
89.03992	0.8
93.03490	1.5
94.27389	0.6
95.01405	1.2
95.05060	0.9
97.02979	2.8
97.06599	1.4
98.20660	1.1
99.00872	5.3
99.01344	0.5
101.02434	7.9
105.03469	0.7
105.07101	0.7
106.04262	0.9
107.05045	1.8
109.06598	32.0
110.06973	0.8
111.00905	0.6
112.01656	0.6
113.02491	2.1
117.03500	1.4
121.02972	2.0
121.06578	3.0
123.08161	8.4
125.02473	2.0
125.09734	1.9
131.03522	2.3
133.02972	2.0
134.03748	38.8
135.04071	1.4
135.08168	37.0
136.08522	1.1
137.02472	3.5
137.09726	30.9
138.10071	0.9
139.04022	2.2
141.01967	1.8
142.02779	0.6
149.02477	1.5
149.06107	6.8
149.09705	1.2
150.03252	0.8
151.03987	1.0
151.11285	0.9
155.03531	2.1
161.04556	11.0
161.61305	0.7
163.11266	0.8
175.06276	1.0
175.11313	1.0
177.09177	1.1
178.01042	2.2
178.02705	20.0
178.10011	1.3
179.03239	1.2
193.01451	1.8
193.05090	10.5
193.07191	7.0
193.12340	44.0
194.12706	2.2
214.98569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1233
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
50.97499	0.4
52.89904	0.5
55.01900	0.6
55.06805	0.5
57.03449	100.0
57.33982	0.5
58.03786	1.1
67.01917	0.8
69.03454	6.0
70.67793	0.5
73.02966	0.6
83.05045	1.0
85.02946	0.5
93.03432	0.5
96.19243	0.5
97.06561	0.6
98.19861	1.1
99.00922	0.6
107.05042	1.4
109.06592	30.0
110.06908	0.7
111.02800	0.5
121.06615	3.9
123.08164	6.5
124.08435	0.6
125.09691	1.7
134.03764	1.8
135.08165	36.7
136.08496	1.4
137.09726	29.9
138.10066	1.5
149.06015	0.6
149.09714	0.8
151.11292	0.7
163.11311	1.3
175.11273	1.4
177.09062	0.8
178.02614	0.8
178.10040	0.8
193.12331	43.4
194.12682	2.9
195.05356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1233
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
51.03290	0.5
57.03449	100.0
58.03779	1.2
59.42483	0.6
67.01889	0.9
69.03455	8.4
69.03809	0.7
69.58601	3.4
71.01398	1.4
83.05068	0.8
85.02972	1.1
93.03494	0.6
97.06631	0.7
98.19927	1.2
107.05039	1.0
109.06591	32.1
110.06912	0.9
111.21926	0.5
116.87046	0.5
118.58913	0.6
118.86412	0.5
121.06612	3.5
123.08172	8.6
125.09741	1.4
134.03725	4.6
135.08167	36.4
136.08540	1.2
137.09721	32.5
138.10078	1.1
149.06091	1.1
151.11292	0.8
161.04567	0.9
163.11235	1.2
175.11285	1.4
177.09152	1.1
178.02718	2.3
178.10014	0.7
188.87457	0.6
193.12331	48.3
194.12674	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	193.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.8
55.57959	0.3
57.03440	0.8
58.00610	0.7
59.01381	4.1
65.00357	0.3
69.03432	1.6
70.47615	0.7
70.47984	0.7
71.01381	6.4
72.69125	0.3
72.99323	0.8
73.02943	5.1
75.00887	0.5
79.01939	0.4
80.19413	0.3
81.03462	0.8
83.01375	1.6
85.02952	6.0
86.00117	1.1
87.00877	5.0
89.02483	0.6
90.74270	0.3
94.21303	0.4
95.01410	1.1
97.02949	2.7
98.20015	0.4
99.00887	5.4
101.02444	7.7
107.05050	0.8
108.16781	0.3
109.02917	0.3
109.70334	0.4
111.00900	0.7
113.02423	2.0
117.01894	0.4
121.03000	0.7
123.00879	0.8
125.02449	2.4
134.03726	3.7
135.04526	27.0
136.04866	0.6
137.02487	0.7
141.01955	2.3
142.02614	0.5
145.72018	0.3
149.06055	0.9
155.03510	1.6
161.04564	11.2
162.04927	0.4
163.04007	100.0
164.04332	2.5
175.06110	0.6
177.05537	0.5
178.03018	2.5
178.06346	65.0
179.06694	1.6
193.05118	1.0
193.07135	8.6
193.08704	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	193.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22345	0.3
55.01883	0.5
57.03448	0.6
58.00612	0.4
59.01383	3.6
65.00324	0.5
69.03468	1.6
69.25823	0.4
69.44975	0.8
69.45387	1.7
71.01389	5.4
72.99311	1.0
73.02951	4.6
79.01862	0.4
81.03462	0.6
83.01390	2.2
85.02952	5.7
86.00118	1.3
87.00875	4.0
88.87341	0.3
89.02452	0.7
93.03467	0.4
95.01395	1.6
97.02952	2.3
99.00878	4.8
101.02447	6.7
104.92891	0.3
107.05054	0.7
109.02972	0.3
111.00876	0.8
113.02433	2.1
115.04037	0.4
121.02959	1.0
123.00906	0.7
125.02441	1.5
134.03758	7.7
135.04535	32.0
136.04820	0.8
137.02448	1.0
140.01146	0.8
141.01944	1.4
142.02753	0.6
149.02448	0.5
149.06078	2.5
155.03482	1.0
161.04567	10.0
163.04016	100.0
164.04337	3.4
164.98274	0.5
175.06136	0.5
177.05537	0.7
178.02930	5.0
178.06354	78.9
179.06700	2.4
193.01372	1.1
193.05054	3.1
193.07130	5.7
193.08696	11.9
198.97610	0.4
211.90984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
55.01873	1.5
57.03448	5.1
58.00579	0.5
59.01382	5.9
62.27659	0.5
69.03452	2.7
69.37923	1.8
69.38349	1.8
69.98958	0.4
71.01384	9.0
72.99311	1.6
73.02951	10.1
75.00872	0.6
79.01903	0.6
81.03478	0.6
83.01394	3.2
84.09825	0.4
85.02956	9.2
86.00111	1.0
87.00882	7.5
89.02478	0.6
89.03925	0.6
91.50661	0.5
93.03457	1.5
95.01382	1.8
97.02956	3.9
99.00883	7.1
101.02448	13.7
106.04250	1.3
111.00890	1.3
112.01686	0.8
113.02457	2.7
114.87837	0.5
115.92393	0.5
117.03456	1.0
119.67886	0.5
121.02969	4.1
123.00919	1.0
124.01665	0.7
125.02461	4.6
133.02962	5.7
133.03885	0.6
134.03745	100.0
135.04106	2.2
137.02448	16.5
138.02728	0.5
139.04021	5.1
140.01151	1.4
141.01941	3.6
142.02731	0.8
144.65955	0.5
149.02498	1.1
149.06078	21.0
150.03249	2.3
150.06439	0.6
155.03470	2.2
159.03014	1.4
161.04556	18.2
175.06091	0.7
178.02715	59.6
179.03073	1.7
189.41220	0.5
191.05710	0.8
193.05069	30.1
193.07158	14.6
193.08699	0.7
194.05463	0.9
194.07626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06486	0.3
55.05558	0.3
57.03444	1.3
57.08110	0.3
58.70998	0.3
59.01374	3.8
64.04275	0.3
67.01881	1.4
69.03474	0.6
69.27391	0.9
69.27805	1.5
71.01366	2.8
73.02940	1.4
76.47849	0.3
80.23534	0.4
81.03447	0.4
83.05020	0.7
85.02946	24.0
86.03286	0.5
87.00335	0.7
87.00869	12.2
93.03457	5.5
98.15239	0.3
99.00892	0.6
99.04502	0.9
101.02422	0.4
109.02946	1.4
111.00881	17.5
111.04511	1.7
112.98821	2.3
127.04012	4.0
129.01932	1.3
131.64572	0.3
137.02377	0.4
148.94975	0.4
155.03506	0.3
171.02980	1.0
173.00958	0.5
173.04486	1.5
185.02138	0.3
191.02104	2.4
191.05598	100.0
192.05875	2.3
208.67677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17439	0.4
57.03448	1.5
59.01387	2.1
65.56778	0.5
67.16717	0.5
69.03470	0.6
70.03482	1.4
71.01391	2.2
73.02924	2.5
79.53191	0.5
83.01395	0.9
84.02221	0.4
85.02966	2.7
87.00878	1.6
93.03466	1.2
97.02959	1.3
99.00906	1.8
101.02458	2.7
106.04254	1.6
111.00872	1.3
111.39159	0.5
113.02477	0.7
117.03486	1.3
121.02947	3.4
125.02472	0.7
133.02980	4.4
134.03741	100.0
135.04120	1.9
137.02446	17.0
139.04021	5.1
139.48886	0.6
141.01924	0.7
147.37216	0.5
149.02415	0.8
149.06075	22.4
149.07263	1.1
150.03223	2.2
150.06403	0.7
151.95534	0.5
161.04543	4.5
162.32222	0.5
174.37132	0.6
178.02704	62.6
179.03087	1.6
193.05043	30.6
193.07072	3.1
194.05385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
59.01377	5.5
67.01877	1.2
69.03448	0.6
70.38344	0.8
71.01391	2.2
72.99271	0.3
73.02945	1.2
74.33088	0.3
81.03454	0.5
83.01324	0.4
83.05032	0.9
85.02950	25.9
86.03279	0.3
87.00876	12.2
88.01141	0.3
91.25374	0.3
93.03457	6.7
95.01369	0.4
99.00922	0.3
99.04515	0.7
109.02970	1.9
111.00881	16.8
111.04514	2.2
112.98775	0.3
127.04014	4.1
129.01959	1.4
137.00658	0.3
171.02995	1.4
173.01027	0.4
173.04536	2.1
191.02098	2.7
191.05606	100.0
192.05998	2.6
194.25674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03443	0.9
59.01374	2.6
67.01887	0.8
69.03441	0.3
69.79758	1.0
69.80172	0.5
71.01382	2.2
72.99292	0.4
73.02948	0.8
76.23949	0.3
81.03469	0.4
83.01356	0.3
83.05026	0.6
84.32639	0.3
85.02952	19.6
87.00876	7.3
87.51511	0.3
93.03456	4.7
98.20555	0.4
99.00880	0.6
99.04527	0.4
109.02956	0.9
111.00882	10.8
111.04542	1.8
112.01203	0.3
112.98822	0.8
113.02376	0.3
127.04008	3.6
129.01955	1.0
137.02496	0.3
148.94893	0.3
155.03490	0.4
156.82417	0.3
171.02997	0.9
173.01024	0.4
173.04547	1.7
191.05606	100.0
192.05974	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Quinic acid
Peak:m/z	Relative Intensity
51.13974	0.1
57.03428	0.5
59.01380	3.4
60.99306	0.3
67.01896	0.8
69.03455	0.8
69.74892	0.8
69.75185	0.1
71.01379	1.8
73.02937	0.9
79.51157	0.2
81.03456	0.7
83.01360	0.3
83.05018	0.9
85.02949	19.9
86.03275	0.3
87.00871	4.2
93.03462	6.5
95.01392	0.2
98.20662	0.1
99.00873	0.2
99.04526	0.8
109.02959	1.8
111.00874	1.1
111.04516	2.0
113.02444	0.4
127.04013	4.5
129.01947	0.2
137.02432	0.5
143.03479	0.3
155.03497	0.3
171.02939	1.1
173.04543	1.9
191.05605	100.0
192.05943	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	191.056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.6
57.56306	0.4
58.46116	0.4
58.74938	0.3
59.01377	3.4
67.01882	1.6
69.03452	0.4
69.38356	1.2
69.38764	0.9
71.01383	2.1
71.01709	0.4
72.99306	0.6
73.02956	0.5
81.03443	0.9
83.05030	1.1
85.02947	26.9
86.03264	0.3
86.78263	0.3
87.00874	17.8
93.03463	5.9
99.00906	0.8
99.04514	0.8
101.02435	0.5
109.02948	1.8
111.00880	30.5
111.04494	1.8
112.98812	1.0
127.03992	4.5
129.01942	2.0
137.02408	0.5
155.03575	0.3
171.02960	1.0
173.00891	0.6
173.04630	1.5
191.02074	4.5
191.05609	100.0
192.05966	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
55.95527	0.2
57.03442	0.5
59.01381	3.7
60.95515	0.1
60.99281	0.2
67.01903	0.9
69.03459	0.7
69.82635	0.6
69.83047	0.3
70.27629	0.1
71.01390	1.8
73.02948	1.2
74.65961	0.1
81.03467	0.7
82.42828	0.1
83.01411	0.2
83.05027	0.9
85.02954	22.1
85.33394	0.2
86.03264	0.2
87.00879	5.2
93.03461	6.4
94.20283	0.2
95.01382	0.3
98.19927	0.3
99.00864	0.2
99.04510	0.8
108.02185	0.2
109.02953	1.7
111.00893	2.9
111.04525	2.2
113.02445	0.3
114.01342	0.1
125.02431	0.2
127.04017	4.4
129.01949	0.2
137.02451	0.4
155.03497	0.4
161.35838	0.1
166.94145	0.1
169.23969	0.1
171.03000	1.5
172.34003	0.1
173.04556	1.8
191.05615	100.0
192.05942	2.4
194.52280	0.2
194.99039	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	191.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88232	0.3
57.03452	2.2
59.01379	16.4
67.01894	0.8
67.63416	0.3
69.29920	0.6
69.30320	2.1
71.01367	1.7
72.99303	0.5
73.02950	3.1
75.45197	0.2
81.03449	0.6
83.01389	0.6
83.05011	0.6
84.02151	0.2
85.02951	24.3
86.03326	0.3
87.00880	14.3
93.03458	5.7
95.01414	0.7
99.04532	0.7
101.02435	0.4
103.04032	0.6
104.02689	17.6
105.03008	0.5
109.02963	1.3
111.00886	25.6
111.04505	1.5
114.52218	0.2
117.01915	0.3
119.05019	0.3
120.02198	1.5
123.00904	0.4
123.18125	0.3
127.04002	2.7
129.01973	1.8
131.01392	0.3
131.03510	2.0
137.02460	0.4
147.04541	0.5
148.01674	18.8
148.84122	0.3
149.02348	0.8
171.03011	0.9
173.00999	0.6
173.04539	1.5
175.00403	0.7
176.01149	100.0
177.01491	3.2
180.00607	0.4
189.17484	0.3
191.01971	3.5
191.03542	25.9
191.05615	78.5
192.03755	0.8
192.05962	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.035
Annotation	Pisonin F
Peak:m/z	Relative Intensity
51.52200	0.3
59.01379	13.0
61.98826	0.4
64.35773	0.3
71.01376	0.7
71.30681	0.9
73.02948	2.1
85.02950	3.4
87.00880	4.2
93.03468	0.7
103.04015	0.8
106.58937	0.3
111.00160	0.6
111.00886	8.1
119.05022	1.5
121.02960	100.0
122.03303	2.7
129.01953	0.7
131.03516	2.0
134.56621	0.3
145.86281	0.6
147.04526	5.8
163.04008	1.0
173.00877	0.4
176.01141	0.5
191.01984	1.0
191.03517	11.6
191.05612	6.2
191.07138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0929
Annotation	6,7-Diepicastanospermine
Peak:m/z	Relative Intensity
52.46569	0.6
55.01873	0.8
57.03449	19.1
58.02959	0.5
59.01382	2.0
60.87865	0.5
64.92567	0.5
69.38345	4.2
70.02989	1.6
71.05006	0.6
72.04539	5.1
80.93050	0.6
84.00916	5.1
84.04557	1.2
86.06124	3.8
92.09137	0.5
98.02480	100.0
98.19933	1.0
98.67958	0.6
99.00904	3.0
99.02813	1.2
101.06088	0.6
102.05610	0.6
112.04054	14.3
116.07176	5.0
126.09257	2.9
128.06288	1.1
128.07176	12.3
129.05595	1.8
144.10298	2.3
147.03270	11.2
147.04446	0.5
147.06618	1.5
159.03249	2.2
160.75006	0.5
170.08234	57.7
171.08527	1.9
172.04066	1.1
173.04779	4.2
188.09271	8.0
188.10881	0.8
188.12798	0.6
189.06592	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	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33295	0.4
57.03449	6.0
58.38925	0.4
58.67015	0.4
59.01376	1.9
67.01892	2.6
69.04198	0.4
70.58620	1.2
71.01410	0.5
73.02944	1.1
78.50835	0.5
83.01416	0.7
85.02955	30.1
86.03284	0.6
87.00880	47.8
88.01198	0.6
95.13927	0.5
101.02442	0.9
109.37283	0.5
111.00886	100.0
112.01212	2.0
112.37047	0.5
113.02431	0.7
115.00351	0.5
124.64310	0.5
129.01949	5.7
129.05652	1.0
130.99911	0.6
131.03476	0.6
133.60619	0.5
147.02998	0.8
154.99896	0.8
173.00977	2.7
191.01976	12.6
191.05608	8.4
204.82367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03448	6.6
59.01385	1.9
67.01887	3.6
70.64642	0.8
70.64974	0.5
71.01404	0.6
76.85474	0.4
85.02949	31.4
86.03295	0.5
87.00876	45.5
88.01202	0.5
88.87091	0.4
93.03446	0.9
95.21843	0.4
101.02475	0.6
111.00880	100.0
112.01234	2.0
129.01958	5.1
130.99876	1.0
136.25569	0.4
154.99808	0.7
173.00868	2.2
191.00247	0.6
191.01982	12.6
191.05606	12.6
192.02133	0.5
211.89650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0563
Annotation	N-Acetyl-L-glutamic acid
Peak:m/z	Relative Intensity
57.03437	0.9
57.72574	1.1
58.02974	9.9
59.01376	63.5
61.98842	1.3
62.88971	1.0
71.01383	2.9
71.07631	1.0
71.07954	2.2
72.00891	1.1
72.99310	10.7
73.02948	1.8
74.02469	3.3
83.01420	1.5
83.04972	1.1
84.00919	0.8
84.04531	2.9
85.02943	2.4
86.06096	1.0
86.24657	1.1
87.00848	3.3
88.04018	1.1
90.97121	1.0
97.02950	1.4
98.02458	9.3
98.06081	2.6
99.00869	1.7
100.04031	3.9
100.07683	22.3
101.06067	1.4
102.05608	100.0
109.02962	2.7
112.04056	1.7
114.05608	12.3
116.07169	6.3
119.05419	1.2
124.04011	1.0
126.05623	9.8
126.10015	1.5
127.03976	2.8
128.03537	96.2
129.01834	1.1
129.05559	4.5
132.98175	3.1
139.22357	1.2
141.86798	4.2
142.05110	7.5
144.03403	1.0
144.04564	32.6
144.06642	36.4
144.10286	2.7
145.04895	1.1
146.04588	10.2
147.06671	5.4
157.01376	1.0
170.04591	23.3
170.88878	1.1
171.02991	4.0
188.03882	1.8
188.05630	41.6
188.09258	3.5
189.04044	2.3
189.07600	1.4
197.30338	1.2
201.55995	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	188.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53033	0.2
56.74503	0.2
57.03447	0.3
58.02969	0.7
59.01365	0.9
61.98834	0.3
71.35122	0.3
73.02945	0.2
74.47334	0.2
87.00849	0.2
95.01431	0.2
98.02495	1.5
100.07652	0.2
102.05615	1.4
111.00868	0.3
112.01237	0.4
113.01583	0.2
113.02478	0.3
116.07176	100.0
117.07523	1.4
125.80842	0.2
126.06458	0.4
128.03548	0.3
129.05594	0.3
141.86819	0.7
144.04568	2.8
144.06633	1.5
144.07518	0.2
147.03258	4.2
147.06638	0.5
148.45006	0.2
154.39610	0.2
159.03261	0.8
170.05415	0.3
170.08221	0.8
171.02997	0.3
172.04001	0.5
173.04848	1.9
188.03479	0.4
188.06447	0.3
188.09360	0.5
189.06627	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	188.0353
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
69.86063	0.8
99.29865	0.2
102.02867	0.2
102.03510	0.6
108.74072	0.2
116.05116	0.2
128.22356	0.1
137.94128	0.2
141.86812	0.3
144.04547	100.0
145.04892	3.8
159.03273	0.7
188.03526	5.3
189.03925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0565
Annotation	5-deoxy-5-amino-3-dehydroquinate
Peak:m/z	Relative Intensity
55.01882	0.7
55.91749	0.4
55.99547	0.6
57.03450	6.4
58.02983	1.7
59.01383	13.1
70.02994	1.6
70.72063	1.0
71.01418	1.2
71.05028	1.2
72.00920	1.0
72.04543	3.5
72.99317	1.8
73.02959	2.3
74.02470	3.0
81.03495	0.5
82.02984	1.6
83.01390	5.1
83.05055	1.7
84.00932	1.5
84.04560	1.3
85.02971	1.5
85.06612	0.5
86.02491	1.0
86.06121	3.0
87.00896	1.1
87.92530	1.3
88.04070	1.1
96.00943	0.8
96.04573	2.3
97.02964	1.0
98.02481	52.1
98.06126	1.8
99.00873	5.1
99.02808	1.1
99.04542	0.6
100.04051	1.1
100.04835	0.6
100.07701	2.7
101.02446	0.9
101.06074	0.6
102.05607	12.3
108.04578	1.4
109.02975	0.6
112.04059	5.0
114.01972	2.2
114.05611	27.9
116.07179	100.0
117.07524	1.3
124.04058	3.6
126.01983	0.7
126.02809	1.7
126.05610	6.0
126.06445	0.8
126.09258	0.8
127.00358	2.9
127.04015	1.1
128.03551	10.4
128.07147	2.6
129.01942	9.8
129.05582	3.3
142.05106	31.4
142.08759	0.9
144.04535	1.8
144.06664	20.4
144.10303	1.6
145.03319	0.7
146.04585	1.1
147.06628	6.3
170.04507	3.6
170.08237	14.9
170.88902	0.8
171.02951	1.5
174.01675	2.2
188.05620	27.3
188.09259	5.0
189.00362	0.8
189.04126	3.5
189.07617	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0975
Annotation	2-methylbutyl (acetyloxy)acetate
Peak:m/z	Relative Intensity
50.10042	0.4
59.01378	86.0
60.01711	0.7
63.24398	0.3
69.63233	2.2
71.01396	0.4
77.56827	0.4
92.29524	0.4
96.99349	0.4
97.06605	1.3
99.08155	25.2
100.08510	0.7
125.09734	4.0
127.07647	18.7
128.07983	0.6
134.35364	0.4
141.86806	2.2
143.07074	0.5
144.04532	0.5
144.13318	0.4
145.08701	100.0
146.09021	3.1
168.49072	0.4
187.07787	0.3
187.09761	2.5
187.11189	0.5
208.92648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0976
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03450	3.0
59.01379	1.4
61.98834	0.6
68.99833	0.5
69.03455	0.7
69.24702	1.6
69.25136	1.5
70.82109	0.4
71.01393	1.4
80.02696	0.4
83.05069	0.4
86.11123	0.3
95.05033	0.4
97.06592	11.9
98.20669	0.7
105.27044	0.4
113.06059	0.6
115.00430	0.5
117.52499	0.4
123.08170	6.7
124.98813	0.5
125.09727	100.0
126.10061	3.1
141.86803	3.3
143.07120	0.7
143.10825	2.0
145.08693	0.8
159.87897	1.0
163.07875	0.4
165.16949	0.4
168.88875	0.6
169.08694	2.7
187.04158	0.9
187.09752	52.7
187.13339	1.5
188.10072	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	187.1339
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
57.03449	0.5
59.01386	2.2
59.37895	0.3
61.98832	4.9
65.37331	0.3
68.99842	0.6
70.96754	0.3
71.01374	1.7
71.54533	0.4
71.54920	0.7
75.00896	0.3
83.05048	0.4
87.00871	0.5
96.99306	0.9
97.06589	1.3
99.00858	0.6
99.08105	0.3
101.02442	0.4
109.71725	0.4
113.06120	0.7
115.00344	0.5
122.89455	0.5
123.08179	0.9
124.98866	0.4
125.06072	0.6
125.09729	12.2
141.12859	12.3
141.86823	21.0
143.05000	0.5
143.07156	0.8
144.04581	0.7
145.08673	0.4
159.04446	0.5
159.87851	5.7
168.88889	0.9
168.97772	0.8
169.08670	0.5
169.12395	0.6
185.11819	1.1
186.89992	0.5
187.03986	1.3
187.06096	1.1
187.09879	6.6
187.13390	100.0
187.86119	1.5
188.13788	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	187.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01377	76.9
60.01716	0.6
61.98818	1.9
69.69391	0.6
71.01377	0.9
76.49323	0.6
90.97130	3.0
97.06580	1.5
99.00916	0.6
99.03033	0.8
113.06079	0.8
115.02519	3.8
117.00449	4.8
117.68933	0.7
125.02391	0.6
125.06040	0.7
125.09719	10.3
132.98204	2.3
141.86815	2.0
142.89342	1.7
143.01964	3.2
143.05035	0.8
144.99974	1.1
157.33333	0.8
159.01492	100.0
160.01593	4.0
164.79675	0.6
168.88873	1.0
169.08693	0.6
186.95613	3.0
187.00990	17.1
187.04013	2.5
187.06030	1.3
187.09735	6.3
187.13373	1.7
188.00764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02993	1.3
58.02963	1.2
59.01379	0.9
59.20876	0.6
67.01900	0.9
68.23969	0.6
69.20273	0.6
70.34727	2.2
71.01397	0.9
72.00916	1.2
72.04578	1.2
72.99305	1.1
73.02955	0.7
74.02470	1.8
81.03482	1.3
82.02989	1.4
83.01385	1.0
84.04547	14.7
85.02977	1.2
86.06147	1.4
96.00903	0.7
97.06580	1.5
98.02465	2.8
99.00874	1.7
99.04519	8.9
100.04051	5.1
101.07205	1.1
104.03532	2.0
110.98570	0.7
111.00892	2.8
111.04565	0.7
112.04036	1.2
114.05618	17.1
114.09275	3.4
115.04017	2.3
115.05959	0.8
116.03532	3.6
117.09608	0.7
124.04037	1.8
124.07713	2.2
125.02454	16.5
125.06064	0.9
125.09736	1.5
126.05613	1.7
129.25360	0.7
131.08281	0.9
140.07195	3.3
142.05048	1.8
142.08739	22.7
143.03502	2.3
143.04651	1.9
143.07108	0.9
143.09026	0.9
144.03070	3.6
144.06670	1.6
168.06685	1.8
169.05070	0.9
171.48508	0.6
186.07716	100.0
187.02464	2.7
187.03883	1.2
187.06070	2.2
187.07928	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	186.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	4.8
62.55196	0.6
65.57322	0.5
67.48226	0.5
70.29317	2.0
71.01393	0.6
72.07507	0.6
72.99306	1.0
74.02450	0.5
83.06139	0.5
84.04545	17.5
86.06084	0.6
98.02458	2.3
98.06152	0.7
100.04023	2.2
100.07720	0.8
109.21764	0.7
112.04031	0.8
114.05614	12.5
114.09242	1.6
124.04093	0.6
124.07658	2.8
125.02507	0.9
125.06062	1.0
126.05631	0.8
131.08296	0.9
140.07129	2.3
142.08743	9.5
143.09055	0.6
144.06664	7.9
168.06624	2.1
186.07704	100.0
187.06087	0.7
187.08022	2.5
198.00803	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1547
Annotation	Undecanoic acid
Peak:m/z	Relative Intensity
59.01369	1.1
61.98826	2.8
65.36369	0.4
68.99819	0.5
69.03457	0.8
70.05215	1.5
73.29794	0.3
84.99300	1.1
95.01395	0.8
97.02941	1.3
97.06604	0.8
99.92549	0.9
112.98806	3.0
113.02464	0.7
115.92041	0.4
123.00889	0.8
133.03192	0.3
134.09891	0.4
139.87291	0.6
141.01921	1.0
141.09238	1.9
148.49020	0.4
155.10873	0.4
161.89597	0.4
166.99815	0.4
168.70007	0.4
184.92656	0.5
185.01004	0.6
185.12010	5.7
185.15462	100.0
186.07628	0.6
186.15825	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	186.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42414	1.0
55.02996	1.6
57.03436	0.9
58.02974	1.2
59.01382	1.4
67.01890	1.4
70.00618	1.0
70.00970	3.6
71.05023	1.3
72.00880	0.9
72.04560	2.2
72.99323	1.8
73.02977	1.0
74.02468	3.6
81.03451	1.5
82.02998	1.2
83.01363	0.9
84.04553	17.1
85.02990	0.9
86.06136	0.8
89.69534	0.8
97.06581	1.3
98.02473	3.2
98.06158	1.2
98.20582	1.3
99.00878	2.1
99.04543	6.3
99.05646	1.1
100.04053	3.8
101.07195	1.3
104.03548	3.2
105.31129	0.8
110.98549	1.0
111.00898	4.8
111.04504	1.4
112.04038	1.7
114.05614	28.9
114.09243	3.0
115.03970	1.5
116.03546	2.2
124.04031	1.6
124.07698	2.5
125.02463	9.5
125.06093	2.1
125.09770	1.4
126.05712	1.0
127.72012	0.7
140.07164	3.6
142.05081	2.8
142.07690	1.9
142.08746	24.0
143.03510	2.6
143.04562	1.8
143.07152	1.2
144.03058	1.5
144.06612	1.8
151.07784	0.9
157.08350	0.8
168.06656	1.5
186.07719	100.0
187.02451	1.6
187.06186	5.5
187.07875	1.5
187.09613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1182
Annotation	[1S-(endo,endo)]-1-(Hydroxymethyl)-7,7-dimethyl-bicyclo[2.2.1]heptane-2,3-diol
Peak:m/z	Relative Intensity
69.24052	2.8
73.02950	15.8
76.03191	0.4
85.02950	2.4
97.06612	0.5
112.98805	0.6
113.09737	0.4
123.00893	0.4
137.09729	8.1
139.87294	0.4
141.09212	1.0
149.09720	0.9
155.10783	51.2
156.11130	1.5
167.10780	13.6
183.10260	0.8
185.11824	100.0
186.12189	3.7
194.93433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1183
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
56.41085	0.2
57.03439	0.7
59.01366	0.4
60.81874	0.2
69.03461	2.7
69.27731	0.6
69.28146	1.3
71.05027	1.6
73.02947	0.8
85.06594	0.3
97.06589	0.7
98.02445	0.2
103.24926	0.2
109.30402	0.2
113.09733	7.7
114.10020	0.3
115.07658	3.8
123.08167	0.5
125.09737	3.0
139.07632	0.3
139.11302	0.3
141.09241	0.8
141.12868	0.9
142.06659	1.1
155.10767	0.3
157.08728	0.7
167.10773	1.1
169.08739	0.2
178.67987	0.2
185.11832	100.0
186.12173	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	185.1182
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
57.03439	0.9
58.48906	0.2
59.01375	0.6
69.03449	3.1
69.55309	1.1
69.55727	0.6
71.05009	1.5
73.02945	1.3
85.02962	0.3
85.06570	0.3
97.02958	0.3
97.06567	0.5
99.08163	0.4
109.06605	0.5
112.98811	0.5
113.02412	0.3
113.09720	8.3
115.07649	3.9
123.08152	0.4
125.09708	2.4
141.02136	0.2
141.09204	1.1
141.12851	0.8
146.09584	0.2
157.08723	0.8
167.10760	1.2
169.08618	0.4
185.11816	100.0
186.12173	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	185.1183
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
59.01366	2.2
60.42349	0.6
61.62981	0.7
68.99810	1.0
69.03442	3.4
71.01346	1.0
71.05015	1.1
72.99297	0.7
73.02953	7.2
83.05045	0.7
85.02962	1.6
95.01363	0.9
95.05019	0.9
97.02955	2.3
97.06607	1.9
98.20660	1.5
111.04461	0.7
112.98822	2.0
113.02482	0.8
113.09750	4.8
115.07642	1.8
123.00842	1.1
123.08168	1.4
125.09729	1.5
137.09706	1.3
139.11339	0.7
139.87326	0.8
140.64856	0.6
141.05574	0.7
141.09225	10.4
141.12843	1.0
149.09746	0.8
155.10779	11.9
166.99869	0.7
167.03438	0.8
167.10768	8.3
185.00893	0.8
185.08351	6.5
185.11826	100.0
186.12227	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	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
50.27178	0.5
57.03433	0.6
59.01363	2.3
61.98570	0.7
61.98829	6.9
67.01888	3.9
67.22693	0.6
68.99565	27.0
69.03431	1.0
71.23689	0.8
71.24017	1.0
92.99815	0.9
94.97543	0.8
95.01405	3.2
96.04558	0.7
98.95556	0.7
99.41980	0.7
101.02441	1.3
107.84829	0.6
109.01781	0.7
110.89572	0.8
111.00873	6.3
111.04496	0.9
112.00404	1.6
112.98560	34.0
113.98923	0.7
116.92830	1.4
121.06565	0.9
123.00899	1.1
123.08204	0.8
124.01660	1.5
125.05219	0.7
125.06090	1.8
137.02399	1.0
139.00371	3.2
139.11273	1.9
139.99895	1.0
140.07095	1.2
152.98322	1.0
165.01910	2.1
168.00632	2.9
182.92976	2.4
182.99243	2.3
183.00500	1.9
183.02934	7.7
183.10417	5.5
183.13885	100.0
184.06097	1.9
184.14197	3.5
199.25259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.139
Annotation	Speciosin H
Peak:m/z	Relative Intensity
51.57150	0.2
69.03443	0.3
71.53819	0.4
95.01412	0.4
101.86385	0.2
106.88195	0.2
111.00864	0.8
112.98587	0.3
139.00363	0.3
139.11250	0.2
158.66853	0.2
165.01868	0.4
168.00580	0.5
173.00327	0.2
181.28294	0.2
182.99199	0.3
183.02971	0.5
183.13889	100.0
184.14235	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	183.1026
Annotation	(3S)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
50.87911	3.3
57.03452	40.3
59.01384	5.6
65.00358	3.3
67.01892	10.0
68.99551	21.4
69.03459	100.0
71.05024	28.8
71.54942	3.3
83.01379	4.2
83.05030	7.1
85.06582	4.3
91.26386	3.6
95.01396	9.3
95.04986	4.2
100.50067	4.2
111.00919	21.9
111.08162	41.8
112.04038	4.9
112.98580	34.8
113.06125	12.4
121.06586	3.9
123.00871	3.4
123.08156	10.5
124.01689	4.2
124.98862	3.4
125.06110	7.4
137.02441	6.3
139.00381	10.4
139.04013	4.2
139.07677	7.0
139.11295	66.0
139.48370	3.4
140.01047	3.1
152.98250	4.9
164.98355	6.7
165.01900	6.7
168.00629	11.3
183.02991	30.5
183.06709	5.0
183.10268	92.1
183.13870	7.7
192.79144	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	183.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.3
58.77650	0.2
62.49519	0.3
67.01892	0.4
68.99546	0.4
70.82161	0.4
73.20745	0.2
73.91453	0.2
75.22615	0.3
84.09518	0.3
95.01408	0.5
111.00896	0.8
112.00436	0.3
112.98576	0.7
118.91391	0.3
123.56474	0.3
124.01648	0.3
124.98810	0.3
139.00273	0.4
139.07634	0.3
168.00578	0.4
183.00557	0.3
183.02943	0.6
183.13892	100.0
184.14250	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	182.0459
Annotation	3,5-Dihydroxy-phenylglycine
Peak:m/z	Relative Intensity
53.78716	0.3
57.03441	0.6
59.01397	0.3
60.52066	0.3
61.98818	3.1
65.99843	1.4
66.03469	0.3
67.01879	1.0
69.03468	0.5
70.67233	0.5
70.67573	0.7
79.33261	0.3
94.02993	1.1
94.03801	0.3
95.01389	1.1
96.04599	0.5
96.96011	6.1
101.02420	0.4
101.33636	0.3
109.02949	3.3
111.00874	0.9
112.05148	0.7
112.98571	0.9
123.00905	2.1
123.04504	0.5
133.70845	0.3
137.02446	11.6
137.98209	0.4
138.01941	0.8
138.02911	0.4
138.05605	0.7
139.00388	0.4
151.00435	0.4
151.03990	2.3
152.00699	0.8
152.04785	12.7
152.98212	0.4
164.98331	0.4
166.99876	0.7
167.02109	5.6
168.00597	0.7
175.43248	0.4
182.04570	100.0
183.03021	1.2
183.04916	2.6
183.10269	0.8
183.13873	1.4
199.01248	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0047
Annotation	2,4-DINITROPHENOL
Peak:m/z	Relative Intensity
56.07215	0.3
57.03460	0.8
58.45494	0.3
61.56269	0.3
61.73384	0.2
65.00327	0.5
67.01891	2.2
68.99563	0.9
68.99869	0.5
69.03473	1.5
80.42033	0.3
83.01363	0.5
85.02979	0.5
85.06581	2.0
94.04296	0.4
95.01393	9.2
97.02959	0.9
97.06593	0.8
109.01712	0.8
109.02966	0.3
111.00901	1.1
111.04540	0.4
111.08160	0.5
112.00302	0.3
112.98586	1.0
123.00893	19.6
123.04536	0.4
124.01713	0.3
125.01225	1.4
125.06091	0.4
137.01187	0.9
137.02451	0.4
137.09735	1.7
139.00409	0.5
139.07634	0.4
139.10327	0.5
139.11304	3.6
139.99940	0.4
153.00690	17.4
162.19722	0.3
164.98302	0.5
165.01929	0.6
165.09209	3.7
166.09367	0.3
168.00662	1.1
183.00476	100.0
183.10266	13.4
183.13780	0.3
184.00850	2.1
184.10565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0506
Annotation	m-hydroxyphenylhydracrylic acid
Peak:m/z	Relative Intensity
65.00330	1.4
67.73445	0.3
70.87640	0.8
81.03479	0.3
83.01419	0.5
89.00372	0.7
95.01385	2.9
97.02965	1.2
105.03482	0.4
106.89359	0.3
122.03706	0.4
123.00905	1.2
123.24225	0.4
124.01669	2.6
135.51816	0.3
137.02429	0.4
138.03229	15.1
139.04024	5.3
139.80919	0.3
149.99599	0.5
151.00357	1.2
165.01921	3.1
166.02710	100.0
167.03024	2.6
181.05061	81.4
182.05338	2.0
198.01675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0458
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
57.03446	0.4
60.81560	0.3
61.98844	0.7
69.87782	1.2
75.22557	0.3
75.88146	0.3
92.05059	3.3
94.02985	1.5
95.03787	0.4
96.04565	0.3
96.95996	0.4
98.20692	0.4
108.04559	49.1
109.04911	0.7
110.02412	0.5
110.06184	0.9
118.79767	0.3
120.04558	4.7
122.02496	1.1
123.00899	0.5
123.03242	1.1
133.41104	0.3
136.04041	0.9
138.05611	100.0
139.05989	2.0
145.34720	0.3
152.03566	1.1
156.99413	0.3
167.03168	0.3
182.04588	26.9
191.73100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03858	0.3
52.84444	0.3
55.53501	0.4
63.02406	0.4
65.00328	1.5
66.48746	0.3
70.87063	1.2
83.01421	0.4
95.01379	2.9
95.70377	0.4
97.02952	1.1
105.03479	0.4
119.42013	0.3
121.02905	0.5
122.03751	0.7
123.00867	1.2
124.01670	2.7
137.02480	0.8
138.03229	16.7
139.04039	5.3
151.00400	1.7
153.01970	1.0
159.65227	0.4
165.01953	3.2
166.02711	100.0
167.03072	3.3
181.05067	84.3
182.05362	3.4
198.01651	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	myo-Inositol
Peak:m/z	Relative Intensity
52.94136	0.7
55.01864	1.1
57.03432	1.1
58.00584	2.8
59.01377	71.9
69.84665	2.4
69.85072	1.9
71.01379	53.6
71.05003	2.5
72.99303	14.3
73.02955	8.5
75.00870	100.0
81.03470	4.9
83.01363	1.0
85.02953	6.4
87.00853	9.7
89.02437	29.0
90.79259	0.7
95.01368	1.4
97.02921	1.3
99.00851	3.1
99.04530	1.5
101.02436	6.1
106.88824	0.8
113.02442	4.2
119.03549	0.9
125.02427	3.4
131.03520	0.8
137.82243	0.7
143.03490	7.0
149.29517	0.9
161.04553	15.9
179.05597	75.6
180.06027	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02926	0.2
53.48631	0.2
55.38010	0.2
59.01387	0.5
63.02369	0.2
65.00326	1.8
67.01898	0.3
71.01372	0.3
71.54544	0.5
75.65670	0.3
77.80537	0.2
81.03464	0.2
83.01385	0.4
89.00321	0.4
89.02432	0.4
91.01903	0.4
92.42410	0.3
93.03481	0.9
95.01385	2.5
96.02190	0.3
97.02946	0.9
105.03474	0.8
107.01391	0.3
107.05022	0.3
108.02173	0.4
109.02951	0.4
121.02951	0.7
122.03744	0.8
123.00854	1.6
123.03709	0.2
123.04532	0.9
124.01682	2.7
137.02431	1.1
137.06062	0.7
138.02127	0.7
138.03224	18.3
139.04028	5.3
149.99568	0.7
151.00374	2.4
153.01947	0.3
165.01913	3.0
166.02710	100.0
167.03053	2.3
170.02167	0.3
181.05061	78.2
182.05376	2.4
198.01697	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	myo-Inositol
Peak:m/z	Relative Intensity
51.95209	1.5
53.50602	1.5
55.01851	1.4
55.73916	1.5
57.03443	2.2
58.00592	4.7
59.01382	100.0
69.03468	3.4
69.85098	9.2
71.01382	75.1
72.99312	11.0
73.02945	11.4
75.00873	72.6
75.01308	2.8
75.52829	1.8
81.03440	4.2
83.01391	5.5
85.02947	20.0
87.00876	57.8
89.02445	38.9
95.01405	3.9
97.02950	5.0
98.20573	2.1
99.00871	13.2
101.02435	16.6
108.32823	1.7
113.02445	7.5
117.01928	11.3
117.54873	1.7
125.02450	9.6
135.04485	3.4
141.01929	5.5
143.03484	5.0
159.03029	2.7
161.04561	41.4
167.85776	1.9
169.16811	1.8
173.61987	1.6
179.05605	98.8
189.26488	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	179.0345
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
52.82772	0.2
56.07175	0.2
58.00592	0.3
59.01379	3.8
63.02390	0.4
69.78240	0.4
69.78655	1.1
71.01383	3.1
72.99335	0.3
73.02973	0.3
75.00906	0.3
83.01373	0.4
84.61608	0.2
85.02958	0.9
87.00887	3.3
89.02445	2.0
89.03970	0.9
91.05537	0.9
93.03469	0.5
95.01414	0.2
97.02937	0.3
99.00881	1.0
101.02467	0.6
106.04245	0.6
107.05034	3.5
109.02985	0.5
113.02395	0.2
117.01967	0.7
117.03432	1.2
121.02967	0.5
123.04494	0.3
125.02462	0.3
134.03757	14.1
135.04535	100.0
136.04872	2.8
141.02014	0.3
149.02480	0.8
151.00357	0.3
151.03989	0.4
161.04562	2.6
164.01097	0.6
164.04771	0.7
176.75273	0.2
179.03513	15.7
179.05598	3.0
179.07056	0.5
180.03870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	myo-Inositol
Peak:m/z	Relative Intensity
55.01878	2.5
58.00588	2.8
59.01378	100.0
69.03460	1.8
70.69216	2.0
70.69536	2.1
71.01379	67.5
72.99310	5.4
73.02941	9.4
75.00861	9.0
83.01392	3.7
85.02953	14.1
87.00332	3.2
87.00871	60.7
89.02438	35.7
95.01379	4.1
97.02965	5.4
98.19930	1.8
99.00869	13.5
101.02432	12.7
102.15380	1.3
113.02455	11.1
117.01933	13.7
119.03472	1.7
125.02463	9.3
129.01877	1.5
135.04517	6.6
136.94017	1.3
141.01921	5.7
150.94794	1.4
157.82306	1.4
159.02954	3.4
161.04544	36.0
163.04044	1.7
175.87144	1.2
177.04025	1.8
179.05609	59.2
179.07184	3.7
180.05350	2.1
187.52745	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	179.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.1
58.09461	0.1
59.01375	1.8
62.71262	0.2
63.02398	2.1
65.00327	0.8
69.03447	0.1
69.59698	0.7
71.01382	1.4
73.02969	0.2
83.01384	1.0
85.02954	0.4
87.00880	1.6
89.02448	0.8
89.03979	0.4
91.05548	0.5
93.03465	0.3
95.01345	0.2
99.00884	0.4
101.02474	0.3
106.04278	0.1
107.01405	1.7
107.05026	2.3
109.02940	0.3
117.01967	0.4
117.03458	0.7
121.02943	0.3
123.04486	0.2
125.02449	0.2
133.02948	0.2
134.03746	7.7
135.04526	100.0
136.01640	0.1
136.04857	2.3
151.00368	4.7
151.04047	0.2
152.00671	0.2
155.55974	0.1
161.04575	1.0
164.01112	0.2
164.04773	0.3
169.01376	0.7
174.60408	0.1
178.99948	2.7
179.03496	19.6
179.05553	1.4
179.10693	0.2
180.03822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.29409	0.2
53.69201	0.2
55.75025	0.2
59.01386	1.4
70.13089	0.4
70.13479	0.4
71.01389	0.9
79.79461	0.2
82.09299	0.2
83.89832	0.2
85.02953	0.3
87.00896	1.0
89.02457	0.6
89.03974	0.2
91.05526	0.6
98.19951	0.3
99.00864	0.3
107.05032	1.8
109.02979	0.4
117.03493	0.6
121.02936	0.3
124.77096	0.2
125.02451	0.3
134.03752	6.0
135.04532	100.0
136.04857	2.7
161.04532	0.8
164.04926	0.2
179.03503	19.9
179.05560	1.0
179.10835	0.2
180.03905	0.5
193.89032	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0348
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
58.00589	0.4
59.01377	6.3
60.21099	0.4
63.02375	0.6
68.68043	0.3
69.03455	0.7
70.91863	0.5
71.01375	4.9
72.99309	0.6
73.02939	0.7
75.00877	0.8
83.01393	1.5
85.02929	1.7
87.00877	5.5
87.24139	0.3
89.02445	2.6
91.05535	0.6
93.03445	0.9
97.02972	0.5
99.00892	1.3
101.02460	1.1
107.01413	1.0
107.05025	2.5
109.02968	2.3
113.02456	0.8
117.01945	1.0
117.03460	0.8
121.02914	0.8
125.02454	1.2
133.02931	0.3
134.03752	8.5
135.04526	100.0
136.04854	2.7
137.02457	5.7
141.01952	0.7
146.03700	0.6
149.02467	0.6
151.00380	1.3
151.03993	1.7
161.02428	0.6
161.04558	3.2
163.00357	3.6
164.01129	1.3
164.04820	0.9
174.83211	0.3
178.99948	1.5
179.03502	31.7
179.05586	4.5
179.07076	0.9
179.10701	0.4
180.03917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.1
57.03437	0.4
58.00588	0.3
59.01379	4.2
62.48013	0.1
69.03452	0.2
69.12793	0.1
71.01386	3.8
71.53765	0.2
72.99315	0.3
73.02948	0.4
75.00880	0.3
79.05515	0.2
81.03442	0.3
83.01395	0.4
84.01386	0.1
85.02950	1.0
87.00876	3.9
89.02440	2.1
89.03974	0.6
91.05537	0.6
93.03468	0.7
95.01399	0.3
95.05059	0.2
97.02966	0.4
99.00872	1.1
101.02442	0.8
105.69651	0.1
106.04231	0.3
107.01379	0.1
107.05022	2.3
108.02174	0.5
109.02958	0.3
113.02444	0.5
117.01925	0.8
117.03442	0.9
121.02946	0.8
123.04539	0.3
125.02442	0.5
129.01988	0.2
133.02983	0.3
134.03741	8.1
135.04521	100.0
136.03886	0.2
136.04852	2.8
141.01926	0.4
146.03735	1.5
149.02379	0.2
151.00316	0.1
151.03992	1.5
159.03003	0.3
161.04561	2.5
161.06049	0.4
164.01154	0.4
164.04825	0.7
177.04100	0.1
179.03497	17.6
179.05576	3.5
179.07062	0.5
179.10754	0.2
180.03821	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	5,7-dihydroxy-4-methylphthalide
Peak:m/z	Relative Intensity
57.03453	1.9
59.01380	8.9
63.02399	0.5
69.03455	0.6
71.01386	8.2
71.54463	0.5
72.99297	0.9
73.02950	1.1
75.00871	1.4
83.01390	0.5
85.02946	2.3
87.00882	8.7
89.02455	4.1
90.67226	0.3
91.05538	15.8
93.03458	0.9
94.03050	0.4
95.01395	0.7
97.02947	0.5
99.00889	3.0
101.02457	1.6
107.01405	0.9
107.05050	1.3
108.02193	1.8
109.02959	2.0
111.00850	0.4
113.02489	0.8
117.01949	1.5
121.02945	2.7
123.96267	0.4
125.02440	1.1
134.03740	1.3
135.04533	100.0
136.04861	3.0
141.01912	0.4
149.02425	3.1
151.00333	0.9
151.04012	0.6
157.22185	0.4
159.02959	0.7
161.02477	0.4
161.04555	6.2
164.01175	1.0
164.03583	0.5
164.04774	2.6
178.99963	0.6
179.03508	12.1
179.05614	7.8
179.07143	2.5
179.10681	0.4
180.03941	0.4
180.05855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51385	0.3
59.01374	1.9
60.18017	0.3
61.98820	1.0
69.88421	1.3
71.01396	1.0
84.21554	0.3
85.02916	0.3
85.88691	0.3
87.00880	1.2
89.02444	0.6
97.64072	0.3
98.20611	0.3
99.00858	0.5
101.02539	0.3
101.24177	0.3
119.93730	1.1
126.87239	0.3
134.96091	57.7
135.96155	2.4
136.94009	100.0
137.94092	5.0
151.92717	16.9
152.92796	0.8
156.61552	0.3
161.04599	0.4
178.95059	77.2
179.05666	0.7
179.95158	4.5
196.96112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.092
Annotation	3,5-Dimethoxyallylbenzene
Peak:m/z	Relative Intensity
57.03444	0.8
59.01382	12.0
63.84245	0.4
65.03966	0.4
68.99795	0.4
69.03069	0.6
69.03453	10.5
71.01385	1.7
71.20631	0.3
71.53738	0.4
85.02976	0.5
87.00879	0.6
87.04540	0.4
89.03980	0.7
90.27972	0.3
93.03436	0.9
95.01391	1.0
95.05030	3.2
99.00924	0.3
105.03449	2.1
105.07108	1.4
106.04225	0.4
107.05025	1.9
109.06588	1.5
111.04526	0.6
113.05145	0.3
115.00363	0.8
117.07084	0.6
119.05025	1.3
121.02986	0.5
121.06593	13.1
122.06921	0.6
129.01939	1.3
133.02959	4.7
133.06595	11.0
134.03812	0.5
135.08163	11.1
143.05006	0.7
144.05833	0.6
144.43927	0.4
149.02419	0.7
149.06047	0.6
149.09708	1.2
159.08167	5.6
161.06067	16.5
162.03212	6.2
162.06676	0.6
163.03545	0.4
170.99193	0.3
177.01926	9.1
177.09203	100.0
178.02275	0.5
178.09549	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	175.0611
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
57.03441	1.6
59.01379	26.3
69.03458	14.2
69.69621	1.2
69.70046	1.9
70.15425	0.5
71.01374	6.6
71.05024	1.5
72.00916	1.3
72.99299	1.7
73.02953	2.8
75.00886	0.8
78.95899	0.9
83.01421	1.0
83.05016	0.9
85.02947	5.9
85.06589	29.3
86.06944	0.9
87.00876	100.0
87.04514	18.6
88.01183	0.8
88.04041	0.8
89.03558	3.3
93.03442	1.1
95.05009	1.2
99.00875	1.1
101.02447	6.6
102.05579	1.0
111.04512	2.8
113.01304	0.6
113.02448	7.2
113.06086	28.8
114.05608	0.9
114.30248	0.5
115.00402	2.5
115.04005	10.3
117.01936	0.9
118.98081	1.8
124.98777	1.0
125.04775	0.5
127.97510	0.6
129.05566	4.8
131.03511	5.3
131.07152	6.3
132.04141	0.8
133.05109	2.8
133.08760	1.5
135.04501	1.9
146.04689	0.9
155.03458	0.6
157.01418	29.2
157.05016	4.8
158.04556	0.8
175.02711	4.6
175.06111	52.3
179.03508	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	175.9813
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	38.1
65.99871	51.5
67.25812	34.0
70.50253	31.8
71.54561	42.3
102.17065	34.1
147.43620	33.4
149.02457	39.9
176.03459	57.6
177.01912	100.0
189.23947	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Esculetin
Peak:m/z	Relative Intensity
53.71513	0.2
57.03451	0.4
59.01379	7.0
65.03951	0.2
65.04992	0.2
65.99858	0.2
67.01878	0.2
68.99813	0.3
69.03455	1.5
70.48570	0.3
70.48887	0.2
71.01383	0.8
75.00901	0.3
77.03965	1.0
81.03450	2.3
85.02959	0.4
87.00894	0.3
89.02452	0.5
89.03968	7.5
93.03454	1.8
95.05016	1.6
95.75800	0.2
99.00877	0.4
105.03459	13.6
106.03744	0.2
107.01387	0.9
107.05025	0.3
109.02942	0.4
109.06613	0.3
115.00374	0.3
118.80016	0.2
119.04958	0.2
121.02956	1.3
121.06597	1.9
123.04519	0.3
129.01942	0.5
133.02954	27.6
133.06575	1.9
134.03357	0.7
135.08141	1.6
138.28418	0.2
139.03981	0.4
149.02437	4.0
159.08182	0.6
161.06046	2.6
162.03207	3.7
177.01923	100.0
177.09183	13.6
178.02274	3.1
178.09500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00499	0.5
57.03440	1.5
59.01382	6.8
68.99812	1.1
69.03449	0.9
71.01385	2.6
71.24111	0.6
73.02974	0.6
79.24651	0.5
82.56666	0.5
85.02950	3.0
85.06591	44.5
87.00880	3.6
87.04520	2.0
93.03468	2.1
113.06094	39.4
114.06425	1.1
115.04014	100.0
116.04343	1.3
124.52512	0.8
129.05577	2.5
131.03499	1.4
131.04987	0.8
131.07152	7.8
135.04544	5.3
157.05067	10.4
160.01625	0.9
174.88985	4.1
175.06123	60.5
176.06425	1.2
179.03497	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	175.0612
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03438	0.8
59.01375	5.0
71.01358	1.2
71.01698	1.0
73.41756	0.5
85.02956	0.9
85.06587	41.5
86.06937	0.7
87.00874	1.8
87.04526	1.9
93.03448	0.4
105.03797	1.2
113.06085	37.5
114.06396	1.1
115.00368	1.8
115.04007	100.0
116.04335	1.7
129.05565	1.5
131.07135	7.8
135.04556	0.9
157.05054	9.5
157.06258	0.8
167.02510	0.6
167.89322	0.5
174.88911	2.4
175.06108	58.5
176.03555	0.8
176.06438	2.2
192.15344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78408	3.3
54.47950	2.8
58.81630	2.7
59.01377	100.0
68.99823	4.5
69.91079	14.4
71.01380	20.5
72.99303	7.8
73.02942	6.1
73.37826	2.7
75.00865	10.1
83.45033	3.1
85.02947	11.3
85.06593	9.3
87.00878	17.6
87.13346	2.8
99.00893	4.8
100.98804	57.0
101.02430	4.6
105.91626	2.8
113.06068	9.9
115.00368	17.9
115.03996	22.2
117.01966	5.7
124.98795	10.0
127.97518	52.5
130.99828	4.3
131.03540	3.4
132.03032	3.5
132.98199	19.3
133.05051	7.7
135.04524	9.2
142.99834	11.4
145.00301	3.4
148.98610	15.5
157.05139	4.0
174.82814	53.1
174.99191	7.2
175.02544	4.6
175.03857	4.4
175.06209	13.7
176.03551	2.8
179.03423	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	173.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57500	0.3
53.00320	0.3
57.03446	0.8
58.02974	0.9
58.04088	0.3
59.01375	1.1
61.69343	0.2
62.91432	0.2
66.98846	0.3
67.01900	2.1
67.05532	0.5
68.99825	0.7
69.03446	0.3
69.62267	1.2
69.62678	0.5
71.01384	5.4
72.99310	0.8
73.02950	1.4
82.30851	0.3
82.96882	0.3
83.01389	1.0
83.05031	0.8
83.06145	0.4
84.04536	0.4
84.06494	0.4
85.02953	10.8
85.06581	0.5
86.03279	0.3
86.06125	1.3
87.00880	0.6
87.06449	0.9
88.04041	1.0
93.03465	2.1
95.37880	0.2
96.96970	0.8
96.99352	0.4
98.20550	0.4
99.00893	2.4
99.04557	0.3
100.07677	0.3
101.02416	0.5
111.00879	14.3
111.04513	2.7
111.05678	0.3
112.01192	0.3
112.04056	0.3
112.08800	0.4
112.98811	4.7
113.07225	0.5
113.99155	0.3
114.05584	1.9
115.00372	0.5
118.00836	0.3
124.98791	1.9
128.03557	0.5
128.07195	0.3
129.01929	2.3
129.05595	0.5
130.05074	0.8
131.08264	100.0
132.08621	1.5
137.02435	0.4
142.99861	6.9
143.00914	0.6
153.76688	0.3
154.65512	0.2
154.99898	0.6
155.03519	1.1
156.07771	3.2
163.55780	0.3
173.00938	1.2
173.04546	3.1
173.08063	0.4
173.09229	0.5
173.10460	5.8
173.12762	0.3
174.07736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1044
Annotation	L-Arginine
Peak:m/z	Relative Intensity
51.13039	0.2
58.04095	0.4
61.79458	0.2
66.13114	0.2
70.84669	0.5
77.22849	0.2
78.16547	0.2
78.95916	2.4
83.06155	0.4
85.07713	0.4
89.36047	0.2
96.96022	0.3
96.96976	3.1
111.00877	0.8
112.08823	0.4
113.07215	0.5
114.05639	1.3
131.08270	100.0
132.08653	1.4
153.12897	0.2
153.31789	0.3
156.07788	3.3
160.88673	0.2
172.82994	0.3
173.10451	6.0
174.68971	0.2
176.47160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
57.03434	0.3
58.04088	0.3
59.01379	1.0
67.01891	0.6
69.84528	1.1
69.84841	0.2
71.01382	3.6
71.77231	0.2
72.99320	0.4
73.02951	0.6
81.03481	0.3
83.01412	0.2
83.05009	0.3
83.06154	0.3
85.02959	1.8
85.06588	0.6
86.06113	0.5
87.00882	0.9
87.06411	0.5
93.03459	1.8
99.00885	1.3
99.04538	0.4
111.00906	2.0
111.04542	2.0
112.08811	0.5
112.98810	3.8
113.07208	0.3
114.05611	1.7
115.00343	0.3
119.25123	0.2
119.89543	0.2
124.98815	0.9
129.01913	0.3
129.05595	0.6
130.05113	0.3
131.08263	100.0
132.08620	1.5
142.99858	6.3
155.03508	0.5
156.07777	3.5
172.83034	0.2
173.00916	0.6
173.04599	1.7
173.08067	0.7
173.10425	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	173.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38437	0.4
51.66874	0.4
52.13394	0.5
55.05189	0.5
59.01379	100.0
60.01707	0.5
67.01905	0.9
67.75926	0.5
69.03458	0.5
83.05021	0.5
85.06589	21.8
93.03451	3.4
98.20669	1.0
111.04557	0.5
111.08177	2.0
113.06094	21.6
129.05539	0.7
131.07143	99.0
132.07458	2.5
173.04517	1.0
173.08261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
50.17005	1.1
50.31939	1.0
53.00294	4.0
55.01866	5.5
57.03440	4.1
57.56508	1.4
59.01373	8.7
67.01868	2.8
68.07314	1.0
68.99798	2.9
69.94579	1.2
70.64964	3.4
71.01381	78.8
72.01691	1.1
72.99323	6.3
73.02948	8.7
80.46021	1.1
80.99801	2.1
83.01388	9.6
83.05028	1.6
84.99334	1.2
85.02947	14.8
87.00885	8.2
93.03465	9.3
96.99325	5.6
99.00877	31.4
99.04556	1.3
111.00851	8.5
111.04496	4.1
111.08154	1.4
112.98809	71.7
115.00339	5.5
124.71148	1.3
124.97948	2.3
124.98810	28.0
124.99715	1.9
129.01953	2.9
131.08243	3.3
140.98267	3.6
142.99860	100.0
144.00183	2.0
152.93002	1.3
154.99834	1.8
155.03529	1.7
160.46632	1.3
172.83124	6.1
172.84338	1.1
173.00931	8.7
173.04555	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	173.0819
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
50.64938	0.4
54.10103	0.4
54.26730	0.4
57.03458	0.5
59.01381	100.0
60.01702	1.0
64.32057	0.3
67.01888	1.3
69.03450	1.0
69.58289	2.8
71.01390	0.4
72.99302	0.6
73.02956	0.8
73.06808	0.3
76.31125	0.4
83.05031	0.7
83.87431	0.4
85.06595	20.4
93.03462	5.0
98.19989	0.8
98.97432	0.4
99.00900	0.4
106.52788	0.4
111.00888	1.4
111.04505	0.8
111.08160	3.1
113.06096	21.7
129.09282	0.6
131.07144	96.5
132.07483	2.3
173.04517	0.6
173.08138	1.5
178.03647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
54.20687	0.3
58.02964	1.6
67.01909	0.5
69.40524	2.0
85.06572	0.3
93.03458	2.2
98.20631	0.6
111.00905	0.3
111.04518	0.5
128.10817	3.1
130.08740	100.0
131.09079	1.8
135.79321	0.3
172.09787	16.0
173.04488	1.4
173.10104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	1.1
59.01362	0.2
67.01894	0.7
70.16787	0.2
70.43063	0.4
70.43426	0.5
71.01377	0.5
78.26397	0.2
82.06621	0.5
83.05019	0.3
83.06415	0.3
84.52394	0.3
88.73780	0.2
93.03458	3.6
107.49355	0.2
111.00865	0.3
111.04530	0.6
115.76406	0.2
127.07467	0.2
128.10808	2.1
130.08736	100.0
131.09094	1.8
172.09781	15.5
173.04541	5.2
173.06018	0.3
173.10028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
53.00308	2.2
55.01887	5.8
57.03442	3.6
59.01160	0.9
59.01386	9.5
60.99300	1.1
67.01877	3.7
68.99800	3.8
70.72838	2.7
71.01382	100.0
72.01740	1.0
72.99308	6.0
73.02621	1.0
73.02952	12.3
80.99824	1.7
81.03425	1.2
83.01392	11.8
83.05011	3.9
85.02946	8.2
85.06583	3.2
87.00887	8.6
87.29940	1.0
93.03458	18.8
96.99313	4.1
99.00885	36.1
99.04483	1.3
101.02435	1.4
101.42993	1.0
111.00888	16.1
111.04522	10.7
112.98814	59.1
113.99132	1.3
115.00347	5.8
124.97948	1.7
124.98808	23.4
129.01932	3.2
129.05550	3.3
137.02420	3.3
140.98276	2.8
142.10519	1.0
142.99864	78.7
154.99937	1.6
155.03461	6.1
158.25508	1.0
172.83125	2.4
173.00896	10.1
173.04529	7.7
173.06000	1.1
173.06549	1.0
173.09326	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
54.62008	0.3
58.03005	1.3
59.01378	18.6
60.99327	0.5
67.01885	1.7
69.03470	0.3
69.50761	1.4
69.51172	0.5
71.01389	1.4
72.99325	0.6
73.02953	0.6
82.06641	0.5
85.02994	0.8
85.06590	4.4
85.43691	0.3
93.03455	8.1
99.00928	0.3
111.00879	1.7
111.04517	1.6
111.08149	0.6
112.04051	0.4
113.06096	3.7
128.08035	0.3
128.10825	2.6
129.05536	0.3
130.08737	100.0
131.07138	24.5
131.09077	2.7
144.04568	0.4
146.96089	0.3
155.03505	0.4
172.03972	0.4
172.09747	14.2
173.04555	2.6
173.08199	0.5
173.10109	0.5
178.49248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03440	1.9
58.02975	5.5
58.04099	11.0
59.01354	1.1
66.03483	0.8
67.01881	1.9
69.03449	1.0
69.82051	2.0
71.01382	7.9
72.04545	12.8
72.99286	1.0
74.02483	0.8
81.04590	0.6
83.01363	1.1
83.06150	48.7
84.04548	12.7
84.32764	0.6
85.02956	3.9
86.02493	0.7
86.06116	100.0
87.00894	0.9
87.06447	1.4
93.03464	1.3
98.02505	0.6
99.00867	3.1
100.04020	0.8
100.07682	9.1
100.08797	2.4
101.02431	0.6
102.05592	1.2
106.53106	0.6
110.06111	1.1
110.06431	0.6
110.07238	9.7
111.00878	19.3
111.04512	1.8
111.05641	2.5
112.04021	7.1
112.98817	4.1
114.05658	0.8
116.03529	0.7
124.98811	2.1
126.05619	1.3
126.06723	0.8
128.07176	8.8
128.08284	4.9
129.01949	1.0
130.05103	17.7
131.08269	23.8
140.31209	0.6
142.99854	6.7
154.01445	0.7
154.06219	4.3
154.99916	0.7
155.04611	1.5
166.94159	0.5
172.06122	11.5
172.07310	11.8
172.09695	4.6
173.00978	1.2
173.04521	1.2
173.10437	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	172.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90736	0.7
55.01857	1.1
57.03447	2.3
57.08915	0.7
58.02977	3.6
58.04095	12.2
59.01372	3.0
66.03506	1.2
67.01904	1.8
67.05520	4.3
68.99802	0.6
69.03460	2.3
70.56873	1.7
71.01377	13.7
71.05012	0.8
72.04546	7.6
72.99300	1.7
73.02940	2.1
75.00865	1.1
83.01387	2.3
83.05048	1.6
83.06149	49.3
84.04540	10.9
84.06487	1.1
85.02950	12.6
85.06600	6.0
85.69077	0.7
86.06116	100.0
87.00887	4.9
87.06466	1.2
93.03460	5.0
98.02468	0.9
99.00887	6.3
99.04524	4.1
100.07677	6.3
100.08780	3.6
102.05603	1.7
104.27153	0.7
110.07242	9.5
111.00882	19.9
111.04519	31.6
111.05681	2.5
112.04041	3.7
112.98807	8.3
114.05574	1.5
124.98820	3.5
128.07181	5.1
128.08289	4.4
129.01936	1.5
129.05565	5.3
130.05095	19.2
131.08264	81.9
140.98325	0.9
142.99879	10.8
154.06244	4.2
155.03542	6.4
156.07790	2.2
172.06108	6.1
172.07294	11.3
172.09679	4.1
173.00890	2.4
173.04547	11.0
173.10475	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	171.139
Annotation	8-methyl Nonanoic acid
Peak:m/z	Relative Intensity
51.03811	0.4
52.38843	0.4
55.01871	0.7
58.02968	0.4
58.52193	0.3
59.01386	1.6
61.98831	4.9
65.00305	1.0
67.60949	0.3
68.99815	1.1
69.93703	0.9
69.94112	0.8
71.01374	0.5
78.95895	0.7
79.65192	0.3
81.03430	0.5
83.01379	0.7
83.05023	0.7
85.02943	0.5
86.06107	0.4
88.98789	1.9
89.02418	1.6
96.96008	0.5
98.20009	0.4
99.00885	3.0
99.92581	13.3
109.06595	0.7
111.00886	0.7
115.92082	2.5
117.00397	0.4
124.89190	0.6
125.02462	0.5
127.00360	1.0
127.02969	0.7
127.04012	0.6
127.07650	5.0
127.11275	1.1
128.90050	0.4
130.08719	1.0
134.86566	1.0
136.86244	0.8
141.01968	0.3
144.04527	0.8
170.83353	2.2
170.88406	0.4
170.99533	0.4
171.01939	3.9
171.04430	0.5
171.06598	1.2
171.10307	12.0
171.13904	100.0
171.88898	1.0
171.91051	4.1
172.04034	0.8
172.10698	0.5
172.14232	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	171.1027
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
55.01868	0.6
57.03440	0.4
59.01370	1.1
59.27847	0.4
61.18506	0.4
65.00320	0.5
68.99835	0.6
70.65655	0.7
74.08614	0.4
83.05009	0.4
84.38858	0.4
88.49398	0.4
99.00886	1.4
99.08170	1.2
99.92634	0.6
109.06578	0.6
125.09721	2.5
127.07652	3.5
127.11301	5.4
130.08691	0.5
152.98315	0.5
153.09225	1.7
158.48418	0.4
170.83292	1.0
171.02003	1.7
171.10266	100.0
172.10617	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	170.9935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.6
57.93575	1.6
59.01368	7.3
60.99309	1.5
61.98819	4.7
65.00322	2.9
68.99817	16.5
69.03497	1.5
71.01380	55.9
71.04999	1.9
74.08667	1.6
78.48963	1.6
78.95901	6.0
83.01374	3.4
83.05022	3.6
85.02940	2.6
88.98802	6.0
89.02446	3.8
95.01389	2.1
97.02936	2.8
99.00883	34.5
99.04509	2.5
99.08160	1.8
99.92587	29.9
100.04071	2.0
102.41570	1.4
109.02930	3.6
109.06592	4.3
111.00893	2.8
111.04499	1.8
112.98857	2.1
115.92072	2.5
124.89122	6.2
124.98804	20.6
125.02446	2.6
125.09698	3.7
126.99512	2.4
127.00387	4.3
127.03038	2.7
127.04006	2.6
127.07654	27.0
127.11283	9.2
130.08742	3.0
140.98318	6.1
141.01947	2.3
141.98280	2.5
152.98294	26.6
153.09247	2.8
155.05363	1.7
170.83315	35.3
170.99472	4.4
171.01930	18.4
171.04367	2.5
171.06671	6.0
171.10268	100.0
171.13913	19.1
171.91071	10.3
171.98067	36.1
172.10655	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	169.1235
Annotation	trans-2-p-Menthene-1,4-diol
Peak:m/z	Relative Intensity
57.03446	9.0
59.01371	0.4
62.72311	0.4
63.98193	0.4
68.26911	0.5
69.03456	6.0
69.40746	3.6
69.65585	0.4
71.05026	1.1
83.05029	2.8
85.06587	100.0
86.06911	2.2
89.01125	0.4
94.04247	2.5
95.05029	13.4
97.02977	2.2
97.18324	0.4
98.03737	15.5
98.20680	0.9
99.08157	33.6
100.08484	0.8
105.28469	0.5
108.02156	0.7
109.06615	1.0
111.04514	6.2
113.06075	8.7
121.84915	0.4
123.08187	0.5
125.02443	3.9
125.06068	0.9
125.09708	3.5
125.99586	1.3
133.56042	0.5
135.08156	11.9
139.11304	1.2
141.12866	1.8
145.13980	0.4
149.09714	1.2
151.11284	41.4
152.11641	1.5
153.09224	2.0
154.09993	3.6
167.10773	5.5
169.01436	2.7
169.12334	66.0
170.08206	0.4
170.12645	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	168.1394
Annotation	Nitramine
Peak:m/z	Relative Intensity
51.23764	0.3
58.02977	100.0
59.03311	0.7
61.98832	3.9
62.07924	0.4
69.03461	1.4
69.84946	1.2
69.85359	0.7
70.02975	0.7
79.01894	0.7
80.63210	0.3
81.03471	0.5
82.95414	5.3
87.00878	0.4
97.02979	1.6
97.80853	0.3
108.25439	0.3
110.00875	0.4
118.93075	0.4
122.89422	0.6
124.01649	0.5
124.04881	0.6
125.02452	32.7
125.34296	0.4
132.86780	2.8
151.11322	0.5
167.83501	0.7
168.13927	9.9
168.15213	0.6
168.83638	2.9
168.99200	0.5
169.01425	12.7
169.02821	0.7
169.12340	8.2
169.13654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1234
Annotation	9-Decenoic acid
Peak:m/z	Relative Intensity
53.37312	0.5
59.01371	0.6
66.88990	0.4
68.99804	0.5
84.29807	0.5
98.19909	1.6
102.83166	0.4
104.17875	0.4
125.02451	10.7
134.86563	0.7
142.93661	0.5
151.11282	1.8
168.83710	0.8
169.01396	4.4
169.12335	100.0
170.12668	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	168.0666
Annotation	6-HYDROXYDOPAMINE
Peak:m/z	Relative Intensity
56.83312	0.9
66.03494	1.4
68.01390	1.2
69.03454	23.2
69.93746	4.8
71.01367	1.2
78.03471	1.3
84.04549	1.2
85.06583	1.4
93.13500	1.0
94.02999	1.5
94.28704	0.9
96.04549	100.0
97.04897	1.3
98.02486	1.1
98.20016	0.9
106.06653	3.2
109.02509	2.0
121.51401	0.9
122.06126	4.5
124.07675	64.2
125.02441	4.4
125.06175	1.0
125.07961	1.2
125.86343	0.9
150.80716	0.9
153.01596	2.1
168.06653	34.5
168.83635	4.8
169.01465	2.8
169.06953	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	167.1078
Annotation	Chrysanthemic acid
Peak:m/z	Relative Intensity
61.98818	0.9
65.00333	0.6
68.99812	0.3
69.75565	1.2
69.75984	0.6
71.49339	0.3
71.49801	0.3
77.04000	0.4
80.96526	0.4
81.03435	0.4
82.95406	1.1
83.01382	0.4
91.01910	1.3
95.01383	2.4
95.05045	0.5
108.02181	10.6
109.02490	0.4
111.00895	0.5
111.04567	0.3
121.02919	0.5
123.00877	1.7
123.03638	0.4
123.04527	9.2
123.08149	0.6
124.01667	0.6
124.04047	0.7
124.04884	0.4
125.02400	0.8
132.86790	2.5
139.00412	0.5
139.04019	1.0
152.01161	22.6
153.01471	0.9
166.83458	0.7
166.99933	0.3
167.02127	0.4
167.03502	9.4
167.10776	100.0
167.83646	0.7
168.02811	0.3
168.11098	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	167.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36510	0.7
56.52562	0.7
59.01376	6.3
61.98820	2.4
67.01877	1.6
68.99839	1.7
70.47726	1.8
70.48066	1.1
79.01891	0.8
80.02705	1.3
80.05063	0.8
81.03435	1.9
82.95418	2.5
83.01380	1.4
89.72889	0.9
91.01907	6.5
93.03465	1.4
95.01382	9.6
95.05043	2.1
97.02940	1.2
108.02173	48.4
108.04576	0.9
111.00865	2.5
121.02953	2.2
123.00901	5.8
123.04525	34.0
123.08157	2.0
124.01656	2.4
124.04876	1.5
124.07642	1.3
125.02435	2.1
132.86798	5.1
137.02454	0.8
139.00365	1.8
139.03976	2.7
149.02422	1.5
152.01149	100.0
153.01576	4.3
166.83461	3.0
166.99817	1.3
167.02217	1.8
167.03488	41.1
167.07133	3.1
167.10779	22.9
167.99510	1.1
168.03893	1.7
168.06659	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	167.0714
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
51.52016	0.8
55.01883	1.0
57.03439	1.1
59.01374	1.1
65.00317	2.4
66.03389	0.7
67.01899	2.1
68.99812	1.5
69.03460	4.2
69.54430	2.1
69.54858	3.1
71.01376	3.6
74.97118	0.8
77.03064	0.8
79.05567	0.9
80.02670	3.1
81.03459	2.2
82.94946	0.7
83.01372	1.8
83.05035	4.7
84.02176	5.1
85.02933	4.1
91.01888	4.1
93.03452	1.6
93.07090	1.8
95.01377	6.2
95.05006	6.3
96.02144	1.3
96.04564	0.8
97.02955	7.1
97.06626	4.5
98.03736	3.0
99.04510	1.3
105.07087	3.9
106.04228	1.2
107.05016	2.0
108.02174	51.9
108.08556	0.7
109.03002	1.1
109.06583	7.6
110.03736	7.2
111.00897	2.6
111.04519	7.3
111.07381	1.5
111.08157	31.4
112.01669	16.0
121.02966	1.9
121.06602	13.5
122.06085	0.9
122.06882	1.2
123.00900	3.9
123.04531	31.9
123.08150	9.1
124.01661	20.7
124.05342	1.0
125.02425	0.8
125.06106	1.4
131.04973	1.3
134.03754	1.9
137.02437	1.8
137.06114	2.0
138.03238	2.2
138.06842	1.1
139.04039	1.3
139.07649	53.0
140.08018	1.2
149.02443	1.5
149.06088	33.5
149.09659	1.7
150.06444	1.8
152.01154	100.0
153.01477	2.7
167.03491	29.1
167.04919	1.4
167.07133	32.3
167.10767	0.9
168.07587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0349
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
57.03450	1.7
59.01382	1.8
63.02403	0.7
64.23536	0.4
65.00327	2.7
67.53737	0.3
69.03455	0.4
70.63862	0.9
79.35953	0.3
80.02669	0.8
80.30766	0.3
81.03456	19.8
82.03777	0.8
83.01385	11.3
83.05015	0.6
91.01888	3.2
93.03426	0.5
95.01398	1.1
95.05032	2.5
97.02951	0.4
99.04514	1.1
106.23098	0.4
107.01383	3.2
108.02175	14.4
108.02919	0.7
111.04521	6.6
111.94884	0.3
115.18279	0.4
123.04524	100.0
124.01666	0.5
124.04848	3.0
125.02449	7.8
125.06055	0.5
138.10083	0.4
149.09698	1.3
151.00366	5.4
152.01147	25.5
153.01538	0.8
163.37531	0.4
167.03493	85.8
168.03836	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	166.051
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
61.98845	0.2
66.03485	0.3
67.01878	0.2
70.91604	0.4
83.76295	0.2
91.01939	0.2
95.01408	0.5
95.05016	0.2
108.02178	1.9
111.00926	0.2
113.88422	0.2
121.02958	0.4
122.02485	0.4
122.03304	1.1
122.06114	0.3
123.00890	0.5
123.04523	1.6
124.01616	0.3
135.04463	0.9
136.05304	25.0
137.05658	0.9
138.05559	0.2
139.04022	0.3
143.92877	0.2
151.00415	0.4
152.01160	4.1
155.86725	0.2
166.05095	100.0
166.83400	0.3
167.03503	1.5
167.05429	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	166.0271
Annotation	Phosphinoalanine
Peak:m/z	Relative Intensity
55.94122	0.7
56.26663	0.7
61.23819	0.7
63.02401	2.3
63.54749	0.7
65.00320	2.6
66.03484	2.8
67.01900	0.8
69.18423	2.8
69.18852	3.8
69.61012	0.7
80.05067	1.2
81.03463	0.9
83.01373	3.6
91.01877	1.3
94.02981	1.9
95.01390	30.6
95.04995	0.8
96.02187	0.9
97.02907	0.7
106.44854	0.7
107.01387	1.8
108.02180	13.4
108.04554	1.4
109.02872	0.8
111.00895	2.4
121.02966	1.9
122.02457	2.8
122.03300	8.7
122.06113	3.0
122.30428	0.7
123.00887	21.0
123.04520	9.4
123.08155	0.8
124.01678	5.3
128.01131	1.3
137.02455	10.1
138.03229	77.0
138.05453	1.9
139.03667	2.3
149.99655	1.4
151.00374	8.2
152.01151	26.3
165.01927	4.7
165.83641	0.7
166.02711	100.0
166.05072	5.7
166.83304	0.8
166.99944	0.9
167.03479	9.0
170.02162	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	166.027
Annotation	Phosphinoalanine
Peak:m/z	Relative Intensity
51.07799	1.2
61.72736	1.2
63.02394	1.6
65.00324	2.4
66.03465	3.9
67.41718	1.3
83.01386	2.9
93.18981	1.6
95.01380	29.8
95.01937	2.3
96.02209	1.7
107.01361	3.1
108.02179	9.8
111.00892	1.7
121.02944	3.2
122.02474	3.4
122.03300	5.6
122.06107	2.1
123.00883	18.8
123.04514	9.0
124.01662	4.3
124.71335	1.6
137.02449	8.5
138.03223	81.9
138.05513	2.4
138.21463	1.3
139.03592	2.5
148.04977	1.4
151.00372	9.5
152.01143	20.2
165.01956	4.8
166.02710	100.0
166.05052	4.6
167.03465	8.9
170.02232	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	165.0922
Annotation	4-Oxahomoadamantan-5-one
Peak:m/z	Relative Intensity
51.52332	0.4
51.67049	0.4
51.73590	0.4
59.01375	1.0
61.98830	4.4
65.00336	4.7
66.03489	1.1
66.64433	0.4
67.01896	0.5
70.90341	0.7
71.01389	1.2
72.98891	0.4
72.99308	0.9
72.99699	0.5
75.00872	0.5
77.03979	4.9
85.02947	0.8
87.24605	0.5
87.50487	0.4
89.02448	0.8
91.01871	0.4
92.99828	0.8
93.03452	4.0
94.03004	0.5
95.01384	0.5
96.99340	1.1
97.02970	4.0
101.02439	0.7
105.01952	0.8
107.05003	0.6
108.02203	0.8
109.02982	1.9
119.05038	2.8
121.02966	100.0
121.10275	0.8
122.02479	0.9
122.03214	3.3
123.04539	1.8
135.04535	2.4
136.98824	2.0
137.02457	3.9
138.05606	0.5
141.40425	0.5
147.04492	3.4
149.00943	2.1
150.03236	3.6
151.00389	0.8
163.07607	0.6
164.83667	5.3
164.89537	3.5
164.98320	1.0
165.01955	13.2
165.04190	0.9
165.05586	6.6
165.09213	74.0
165.97964	0.4
166.05063	1.6
166.09541	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	165.0557
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
54.33073	0.4
72.99306	27.7
91.05537	1.9
92.99352	0.5
93.03490	0.7
95.31523	0.5
101.03960	1.1
103.05524	4.8
117.03432	0.7
119.05027	34.7
120.05360	1.2
121.02966	4.4
135.04504	0.5
147.04523	100.0
148.04872	4.2
165.01917	1.4
165.05569	37.8
180.47247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91442	0.5
65.55493	0.5
69.95437	2.0
72.99310	29.5
75.00867	0.6
91.05551	1.4
93.03468	0.8
99.20203	0.5
101.03970	1.6
103.05540	5.4
103.51147	0.5
119.05027	34.7
120.05379	1.6
121.02975	4.3
140.98128	0.5
147.04521	100.0
148.04851	4.8
156.56915	0.5
165.01865	1.3
165.05563	37.5
166.05963	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0404
Annotation	D-Xylonate
Peak:m/z	Relative Intensity
50.32712	0.7
51.06002	0.6
55.01869	2.6
57.03448	1.0
59.01374	10.4
70.95543	1.2
71.01374	7.0
72.87297	0.6
72.99306	9.5
73.02944	1.9
75.00871	100.0
76.01208	0.8
80.92368	0.6
84.50435	0.6
85.02951	1.9
87.00874	64.9
89.02436	3.3
89.26397	0.6
93.03447	1.3
99.00885	8.6
101.02422	3.3
105.01933	48.6
106.02249	1.0
108.93725	3.5
115.00372	0.8
116.01984	0.6
117.01934	2.6
119.03535	1.2
121.02905	1.9
129.01941	10.3
129.70796	0.6
135.02992	1.5
140.76041	0.8
147.03008	12.1
159.75497	0.6
165.04034	79.1
166.04370	1.1
182.58270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
51.00579	0.3
59.01377	1.3
70.00871	1.5
72.99327	0.5
75.00881	0.7
77.03966	2.5
81.03480	0.4
87.00872	1.0
91.01927	0.5
93.03465	2.2
102.76045	0.3
105.01946	0.8
108.02189	0.5
109.02971	0.6
119.05038	1.5
121.02956	100.0
122.03219	2.8
123.09660	0.4
135.04521	0.5
137.02478	1.0
147.04532	0.5
150.03232	0.9
163.78024	0.4
164.89519	0.5
165.01927	10.0
165.04170	0.8
165.05583	3.2
166.02254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
59.01378	18.8
72.00909	8.6
84.10485	0.8
93.03473	1.1
98.20649	2.7
103.05543	11.3
118.06621	3.5
119.05031	2.2
120.05378	2.3
121.02960	9.1
147.04524	41.0
148.04832	1.7
164.07164	100.0
165.01947	1.0
165.07516	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	164.9828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.9
61.98825	1.5
65.00326	100.0
65.99866	0.4
66.00662	1.8
66.03506	0.4
71.01390	0.9
72.77973	0.3
72.95909	0.3
72.99308	0.6
75.00880	0.8
77.03971	2.5
80.91680	0.4
81.03434	0.4
86.38626	0.3
89.02473	0.5
91.01888	0.3
92.99821	12.3
93.03469	2.8
95.01440	0.6
96.41823	0.4
96.99315	24.2
98.20660	0.9
102.77454	0.3
105.40037	0.3
108.02208	0.4
108.99326	3.5
109.02968	1.2
119.05032	1.3
120.18739	0.3
120.99327	5.4
121.02962	50.9
121.06589	0.7
122.02493	0.4
122.03307	1.2
122.06103	0.5
123.04526	1.1
126.33775	0.3
135.04514	1.1
136.98816	26.9
137.02440	3.1
137.99178	0.6
147.04553	2.3
149.00987	0.8
149.02477	0.3
150.03232	2.1
158.25114	0.3
164.83675	2.7
164.89526	1.4
164.98296	21.3
165.01942	8.5
165.04161	0.6
165.05585	3.1
165.07828	0.7
165.09178	4.4
165.83650	0.8
165.98576	0.5
166.05081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
76.47186	0.2
86.03410	0.1
89.52465	0.1
91.05556	0.2
93.03478	1.0
119.05034	100.0
120.05374	2.5
152.01262	0.2
163.00366	0.3
163.04015	10.7
164.04388	0.3
182.43518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0764
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
59.01371	0.8
61.98836	0.3
67.14323	0.2
67.50931	0.2
69.15967	0.2
71.01385	0.3
72.99307	0.3
91.01891	0.3
91.05529	0.4
93.03475	1.1
93.03959	0.2
101.02448	0.3
110.61895	0.2
118.99213	0.2
119.05024	37.4
120.04549	0.4
120.05328	1.8
121.02937	2.0
135.00827	0.4
135.04457	0.4
145.01749	0.2
147.04533	3.1
148.05299	100.0
149.05611	4.1
154.69861	0.2
162.83920	4.6
162.89307	0.9
163.00365	1.3
163.02567	0.4
163.03981	4.3
163.05219	0.4
163.06236	0.2
163.07635	5.2
164.07040	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1121
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
51.23390	1.6
61.98833	19.1
65.61710	1.2
69.79713	2.5
69.80125	4.4
69.89187	1.5
70.32473	1.4
70.93896	1.5
85.74959	1.3
89.75076	1.2
91.01910	1.6
98.19928	1.8
100.96575	1.3
116.92048	8.4
118.99264	5.3
119.05027	48.1
120.05350	1.8
123.82270	1.2
133.03282	1.6
162.89342	2.0
163.00418	2.8
163.04022	4.5
163.11287	100.0
164.11604	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	164.0717
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
59.79108	0.5
69.75204	2.2
70.00443	0.6
72.00910	39.2
91.05527	2.2
92.20638	0.7
103.05537	7.0
106.70634	0.5
119.05023	2.5
121.02946	1.3
126.61843	0.6
130.07434	0.6
137.66930	0.6
147.04520	100.0
148.04883	3.3
164.07164	53.2
165.07487	1.7
170.63667	0.6
173.53914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.9136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
60.01701	0.2
61.98828	4.1
70.38951	0.7
71.01385	0.6
72.01692	0.2
73.02944	0.6
74.03284	0.5
85.02928	0.7
86.03280	0.6
91.01900	0.3
99.92571	1.7
105.54145	0.2
113.02371	0.3
115.92073	100.0
116.92088	4.9
116.92886	0.4
117.92875	0.5
118.03004	0.4
119.05023	10.7
125.77010	0.2
131.75168	0.2
132.03842	0.4
135.00803	0.2
161.84268	0.6
161.91353	13.3
162.01920	1.1
162.83905	2.5
162.89307	0.4
162.91405	0.6
163.00400	0.3
163.03998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
59.01373	0.7
66.72665	0.1
69.24855	1.3
71.01372	0.2
72.00910	1.9
74.99097	0.2
79.08034	0.2
81.91203	0.1
91.01902	0.4
91.05531	1.2
93.03456	1.3
101.02447	0.2
102.98611	0.2
103.05524	0.3
117.03462	0.3
119.05029	100.0
120.04551	0.3
120.05347	2.7
135.00893	0.5
135.04541	0.4
145.02916	0.2
147.04520	5.7
148.01663	0.7
148.08890	0.2
162.89322	0.6
163.00371	1.6
163.04010	8.6
163.11290	1.6
164.07164	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	163.0401
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
59.01379	0.5
61.98830	0.5
70.71770	0.3
70.72114	0.3
71.01381	0.2
72.00941	0.2
72.48163	0.2
79.95741	0.2
91.01901	0.3
93.03455	1.3
119.05022	100.0
120.05360	2.8
162.83893	0.9
162.89305	0.9
163.00314	0.5
163.04001	9.7
163.11284	0.4
164.04367	0.3
181.38777	0.2
184.31912	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.9136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
60.01707	0.3
61.98830	10.4
71.01385	0.5
71.53874	0.3
71.74615	0.2
72.01728	0.3
73.02949	0.9
73.16003	0.2
74.03273	0.2
82.03806	0.2
85.02960	0.6
86.03303	0.5
87.00854	0.2
93.03435	0.2
94.77979	0.2
99.92583	1.3
101.36973	0.2
107.05032	0.2
115.92077	100.0
116.92091	4.5
116.92884	0.3
117.92901	0.3
118.02990	0.5
118.99281	0.5
119.05025	12.1
160.45135	0.2
161.91357	13.9
162.01976	0.8
162.04837	0.2
162.83907	2.1
162.89328	0.3
162.91362	0.7
163.00360	0.4
163.03999	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.6
57.03452	3.8
58.00595	0.6
59.01381	17.9
61.05518	0.3
67.01878	0.4
69.03463	1.6
71.01382	17.2
71.05010	0.6
71.54674	0.4
72.99310	2.5
73.02947	16.5
74.85341	0.3
75.00871	2.0
77.03967	1.1
81.03452	3.5
83.01385	5.4
84.02188	0.6
85.02951	22.3
86.03288	0.4
87.00879	4.0
89.02444	5.9
89.03977	1.1
95.01388	0.9
95.05036	0.4
97.02971	2.2
99.00883	0.9
99.04531	1.7
101.02441	5.0
103.04054	0.5
104.02667	0.8
105.01899	0.4
105.03456	2.9
113.02455	7.2
115.01881	1.5
115.03988	0.6
115.92104	0.4
117.03503	0.7
119.05048	2.5
123.04565	0.5
125.02451	1.4
131.03510	10.1
132.02174	9.8
133.02960	100.0
134.03302	3.4
143.03496	1.1
159.02954	0.4
160.01666	0.5
160.89287	1.4
161.02449	79.8
161.04460	13.6
161.08194	1.0
161.89424	0.5
162.02930	3.6
162.05623	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	161.0456
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
55.01870	3.2
57.03448	84.2
59.01380	54.9
69.03448	2.2
69.83168	4.4
71.01385	36.1
71.05026	22.8
72.99311	4.4
73.02953	26.1
74.80856	1.4
75.00869	3.2
79.73393	1.5
81.03452	4.8
83.01393	7.5
85.02954	39.0
87.00879	48.7
87.04504	2.1
89.02451	7.7
95.01389	2.3
97.02964	4.7
98.20546	2.6
99.00874	2.3
99.04520	100.0
100.04832	1.9
101.02448	38.8
101.03104	2.2
113.02457	11.1
115.04037	7.5
117.03449	2.1
117.05576	11.5
125.02453	2.1
131.03502	13.7
133.02989	7.4
143.03497	20.2
160.56226	1.5
160.84238	3.7
161.02538	11.7
161.04564	65.1
161.08260	1.6
162.03081	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	160.0616
Annotation	N-Methyl-L-glutamate
Peak:m/z	Relative Intensity
57.03446	1.7
59.01387	5.5
61.98829	25.2
69.03474	0.8
71.01379	8.9
71.53056	1.2
73.02949	2.1
74.02464	2.9
85.02949	5.7
87.00880	2.8
88.04046	2.2
89.02442	2.1
89.41544	0.8
95.01401	2.0
96.04543	1.9
98.02504	0.9
98.06118	3.7
101.02422	2.0
113.02465	3.4
114.05593	1.6
116.07175	100.0
117.07516	1.7
124.12633	0.6
125.02377	0.9
142.05098	98.9
143.05466	2.0
160.06155	29.7
161.04575	1.6
161.06487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0614
Annotation	D-Alanyl-(R)-lactate
Peak:m/z	Relative Intensity
54.85978	0.5
55.01868	1.3
57.03444	7.2
58.00584	1.0
58.02975	4.3
59.01376	15.7
59.07087	0.5
69.03429	0.5
70.02977	2.7
70.14010	1.1
70.14400	1.4
71.01382	20.2
71.05015	1.2
72.04538	1.1
72.99303	2.2
73.02947	8.6
74.02469	17.2
75.00881	1.0
81.03455	1.8
81.87121	0.6
83.01382	2.8
84.04543	28.0
85.02947	15.2
86.02491	0.6
86.06113	3.1
87.00884	7.2
88.04036	100.0
88.07655	0.6
89.02442	2.6
89.04334	0.9
95.01376	1.2
97.02938	1.8
98.02473	7.3
98.06105	11.0
99.00866	2.7
99.04512	1.3
101.02457	3.3
112.04032	1.9
113.02434	3.4
114.05605	2.0
116.03544	4.4
118.05099	7.1
125.02397	1.0
128.03551	1.5
130.05095	23.3
131.03490	6.0
134.68236	0.7
139.67479	0.5
142.05070	1.7
159.89362	2.6
160.06143	22.4
160.89204	2.7
161.04562	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	158.0823
Annotation	5-Acetamidopentanoate
Peak:m/z	Relative Intensity
51.38646	0.3
55.01870	0.8
57.03444	1.3
58.02980	1.8
59.01387	1.0
68.00920	0.3
71.01382	0.7
71.53055	0.4
73.02950	0.5
83.01422	0.6
84.04543	3.7
85.02944	0.6
86.06115	34.3
87.06446	0.7
88.02634	0.3
96.04579	0.5
99.00874	0.6
101.02429	0.3
112.04047	40.4
113.02348	0.4
113.04393	1.6
113.06139	0.3
114.05614	9.7
114.06418	0.6
114.09251	7.4
115.05986	0.4
115.09608	0.3
116.07176	100.0
117.05592	1.0
117.07516	3.2
129.01910	0.6
133.44901	0.3
158.04590	10.7
158.08228	16.6
158.89363	0.9
159.03001	1.4
159.05043	0.4
159.06660	0.6
159.08537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0822
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
55.01886	0.8
55.94606	0.3
57.03437	1.3
58.02987	1.9
59.01374	3.5
63.83413	0.3
68.99809	1.0
69.03458	0.9
70.38960	1.0
71.01380	4.2
72.99299	1.0
73.02948	6.6
75.00875	0.9
83.01392	0.9
85.02952	1.4
87.00882	3.1
87.04528	0.3
93.69561	0.3
95.01389	0.5
96.99313	0.5
97.02955	0.6
97.06604	0.6
99.00880	2.2
99.92593	0.4
101.02440	3.5
108.57466	0.4
111.00886	3.0
111.42108	0.3
112.04079	0.4
113.02428	1.8
114.05643	0.5
114.09236	6.2
116.07172	100.0
116.92866	0.4
117.07500	2.5
126.78447	0.3
129.01935	3.7
130.06575	0.5
135.52576	0.3
140.07156	0.4
140.75012	0.3
141.01892	0.6
157.86365	0.4
158.03661	0.7
158.06122	0.9
158.08215	16.6
158.12602	0.4
158.89310	1.0
159.02998	5.9
159.06584	1.0
159.08521	0.6
159.10312	0.7
164.68178	0.4
170.89772	0.4
172.04010	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
56.01410	0.7
57.03445	2.1
57.48633	0.6
58.02964	1.7
59.01374	0.7
60.08105	0.6
66.99129	0.6
68.44905	0.5
70.64162	1.8
71.05000	0.6
83.01405	0.9
84.04548	8.5
85.02950	0.9
86.06117	84.7
87.06441	1.6
96.04562	2.4
98.64318	0.6
112.04050	100.0
113.04398	2.0
114.05613	21.5
114.06420	1.2
114.09245	4.8
116.07181	72.7
117.07541	1.3
147.37592	0.5
158.04599	24.0
158.08206	11.0
158.89334	1.3
159.02968	0.9
159.04967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57953	0.5
53.10544	0.5
55.01089	0.5
55.01877	0.9
56.01384	0.7
57.03455	2.7
58.02952	0.7
59.01374	1.4
69.75162	3.0
70.44550	0.5
71.01379	1.3
73.02939	1.4
79.19728	0.5
83.01374	1.5
84.04053	0.9
84.04546	8.1
85.02952	2.4
86.06116	85.2
87.06454	1.9
93.89482	0.5
96.04549	0.7
97.02940	2.8
98.19853	0.7
99.00898	1.3
101.02436	0.7
111.00887	1.3
112.04045	100.0
113.04399	2.0
114.05609	21.8
114.10106	0.6
115.04025	1.3
115.05925	1.3
129.01924	1.1
141.01956	0.7
158.04599	26.7
158.08206	0.6
159.02980	3.0
159.04913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1234
Annotation	Nonanoic acid
Peak:m/z	Relative Intensity
50.26153	0.2
51.14447	0.2
51.16638	0.2
51.63890	0.2
57.03432	0.3
59.01380	10.5
61.98818	0.7
68.99828	0.4
69.03459	0.4
70.76156	0.5
71.01387	1.3
72.99310	0.5
75.00862	2.1
80.50664	0.2
84.99314	9.4
85.02975	0.4
87.00871	0.4
94.61228	0.3
96.96010	0.7
99.00886	0.8
99.92584	0.9
112.92257	1.9
112.95518	0.4
113.06084	0.8
113.09724	0.5
114.93404	1.0
115.00372	0.5
115.92088	0.7
116.92844	0.8
127.00365	5.2
128.05064	0.3
128.98300	1.9
139.07668	0.5
139.48032	0.3
142.46736	0.2
156.86574	5.7
156.89447	1.3
156.92152	0.4
156.94527	0.3
156.97797	0.5
157.01418	1.1
157.05034	0.7
157.08842	2.7
157.12337	100.0
157.86267	9.6
158.03575	0.3
158.04803	0.3
158.06146	0.8
158.08182	0.6
158.12689	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	158.0458
Annotation	N-Methyl-2-oxoglutaramate
Peak:m/z	Relative Intensity
55.01871	0.5
56.01378	1.0
57.03441	1.5
59.01374	1.0
63.15706	0.5
63.84723	0.4
69.60191	1.9
71.01389	0.4
83.01388	0.7
84.04539	7.8
85.02948	0.5
86.06113	82.3
87.06442	1.9
96.04575	0.5
112.04044	100.0
113.04396	1.8
114.05602	20.6
114.55318	0.4
137.05376	0.4
158.04582	24.4
159.02968	1.1
159.04965	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0506
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
50.02654	0.3
52.71653	0.4
54.17648	0.4
57.03466	0.5
59.01375	2.9
68.99825	0.7
69.03456	0.8
71.01383	2.6
71.54737	0.6
73.20866	0.4
78.89550	0.4
83.01391	0.6
84.99316	5.1
85.02943	1.0
87.00890	0.9
95.05051	0.5
99.00878	3.1
103.46445	0.4
105.27319	0.4
111.08189	0.5
112.04072	0.5
113.06091	100.0
113.09688	1.1
114.05693	0.6
114.06406	2.9
115.00383	1.1
115.05960	0.6
127.00376	7.0
128.05055	0.5
128.98277	0.8
130.06625	0.4
139.07625	0.8
156.89516	1.8
157.01414	1.7
157.05054	11.8
157.08717	5.9
157.12337	5.0
158.06122	1.2
158.08163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.087
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
56.36317	0.8
57.03436	1.2
59.01380	17.5
67.05530	1.9
69.03429	1.1
71.01389	12.5
71.54679	1.3
73.55734	0.8
84.99308	9.6
99.00861	2.5
103.60043	0.9
109.06603	6.7
111.08156	5.1
113.06081	1.6
113.09711	1.9
115.05962	1.3
119.35109	0.8
121.06628	1.1
127.00388	8.9
127.07657	36.1
128.07983	1.0
139.07658	27.5
140.08003	1.1
156.89488	2.1
157.01381	1.1
157.08698	100.0
157.12245	4.2
158.09045	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	155.0715
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
51.70771	1.3
55.01865	3.4
58.00606	8.3
59.01378	45.3
68.89505	1.3
70.81911	2.9
71.01382	8.8
71.05012	2.3
72.02158	4.4
72.99294	3.8
73.02940	1.5
75.78747	1.1
81.07075	2.9
83.01379	4.9
83.05016	8.5
84.02145	6.1
84.04536	1.6
85.02940	2.5
86.00094	12.5
93.03438	1.8
95.01357	1.2
95.05022	29.5
96.96038	1.4
97.06584	10.5
99.08153	28.6
107.05031	51.5
108.02139	1.5
109.06599	6.3
111.00878	2.1
111.04509	5.2
111.08140	2.4
112.01630	2.9
112.04076	1.6
113.06087	11.8
114.05604	100.0
123.04472	2.1
124.70007	1.3
125.06081	22.7
127.00316	2.2
127.07658	21.5
135.04482	1.9
136.02090	1.2
137.06099	4.3
140.01129	4.4
154.99846	3.2
155.03494	2.4
155.04614	1.5
155.07127	12.8
155.10704	1.3
155.86523	1.9
156.06642	10.0
169.96930	1.4
170.75298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0664
Annotation	N-ACETYLPROLINE
Peak:m/z	Relative Intensity
51.32186	0.2
54.21215	0.3
57.03450	0.6
59.01373	1.6
60.99955	0.2
66.03482	0.4
68.99815	0.7
70.02962	0.4
71.01380	0.5
84.00909	0.3
84.04543	0.7
84.99319	0.4
85.02962	0.2
94.06623	0.6
96.83394	0.3
96.99327	0.2
99.00886	0.3
112.04034	0.5
112.07693	0.5
113.06058	0.2
114.05604	100.0
114.91973	0.2
115.05943	2.6
124.98737	0.3
127.00354	0.6
138.05574	0.9
156.06651	9.2
156.89474	0.9
157.04950	0.3
157.06989	0.4
162.25769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57217	0.4
55.01850	0.4
57.03439	0.8
57.94189	0.4
59.01378	4.6
63.69430	0.4
68.99810	1.1
69.03452	1.1
71.01381	2.5
71.05022	0.9
73.02908	0.5
79.91283	0.4
81.03443	0.6
83.01402	0.4
84.99313	10.6
85.02954	1.3
85.35999	0.4
86.76125	0.4
87.00877	0.8
95.05034	0.7
96.99300	0.5
97.06610	0.6
98.19875	1.0
99.00891	3.3
111.08154	0.8
112.92253	0.5
113.06087	100.0
114.05650	0.7
114.06410	3.1
115.00391	2.1
115.05932	0.8
125.73543	0.4
127.00375	7.9
128.00647	0.6
128.98294	2.1
139.00348	0.4
139.07671	0.9
150.19077	0.4
156.89441	2.2
156.97937	0.5
157.01404	1.3
157.05072	10.6
157.08705	6.5
157.12357	4.3
158.03572	0.5
158.06158	0.8
158.08116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0874
Annotation	Scopoline
Peak:m/z	Relative Intensity
59.01367	0.6
65.00315	0.2
66.03477	1.1
67.01914	0.5
69.02971	0.2
71.01397	0.3
71.54607	0.2
82.02956	0.5
83.01372	1.6
83.05026	0.4
84.00883	0.2
85.02929	0.4
92.05071	0.3
93.03463	0.3
95.05032	0.5
96.00913	10.7
97.01091	0.2
97.01701	3.6
98.02508	0.2
109.02969	0.2
110.02463	0.6
110.03286	0.8
110.06163	0.2
111.00865	0.7
111.08165	3.8
112.04085	0.2
122.03628	0.2
124.04037	0.6
124.07657	0.6
127.00359	0.4
136.04066	0.4
136.07704	0.8
137.06105	0.6
140.01176	0.9
154.08736	100.0
154.99898	0.6
155.03505	0.5
155.07185	0.4
155.09082	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	153.0193
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
65.03962	15.8
65.85830	0.4
65.86211	0.3
66.04294	0.4
67.01889	7.1
70.03389	1.8
91.01888	4.4
91.92559	0.4
108.02199	0.7
109.02947	100.0
110.00098	1.5
110.03310	2.7
112.90432	0.4
125.02390	0.6
135.00880	29.0
136.01189	0.9
137.99574	1.4
153.01927	78.8
154.02272	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	154.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26565	0.4
66.03484	1.6
67.03019	6.4
70.14467	1.9
71.04937	0.5
72.00544	0.9
72.00913	8.6
74.02457	0.7
76.45959	0.5
78.95913	9.6
80.03802	9.0
81.04582	10.8
81.16139	0.5
82.01705	0.4
82.03038	0.5
83.17700	0.4
93.04585	66.6
94.04932	1.6
95.02506	0.6
96.96003	1.3
96.96964	9.1
98.19980	0.6
108.05690	7.6
109.04092	3.6
110.02481	0.7
110.07245	18.9
110.94398	2.2
111.07596	0.6
111.92732	0.7
112.92332	3.0
118.04120	2.2
134.03621	0.7
136.05145	6.8
136.91772	1.1
137.03575	44.7
151.03903	1.1
154.06229	100.0
154.91637	2.8
154.93375	1.8
155.03299	0.5
155.06575	2.9
163.98651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0354
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
52.99017	0.4
58.51716	0.3
60.01748	0.3
62.39508	0.3
65.00328	0.5
66.03484	11.7
67.66526	0.4
68.99811	0.9
71.01385	0.5
71.55183	0.5
80.96538	0.7
81.03438	1.5
83.01398	0.6
95.01398	0.5
96.99278	0.4
100.04218	0.4
108.02176	6.0
108.04555	1.7
109.02953	19.2
109.06590	0.7
110.00082	3.8
110.03590	0.4
116.20312	0.4
121.02940	1.0
122.03739	33.7
123.03999	0.9
123.04624	0.3
124.04030	0.7
124.04869	0.8
124.98804	0.5
125.02431	2.4
137.01932	2.1
137.99596	4.5
151.00330	0.7
151.87407	1.0
152.03525	100.0
153.01939	10.2
153.03867	3.4
153.05554	1.1
171.78986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0456
Annotation	SCHEMBL14401414
Peak:m/z	Relative Intensity
50.44357	1.2
59.01373	4.7
63.56472	1.3
69.21388	1.4
69.50857	3.4
69.51282	6.7
71.01385	28.2
73.02947	15.5
75.61893	1.3
87.00877	10.4
89.02446	100.0
90.02769	1.7
103.04015	4.1
110.78879	1.2
127.16325	1.2
131.03519	12.7
149.04556	47.7
157.27255	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	149.0456
Annotation	L-(+)-Arabinose
Peak:m/z	Relative Intensity
59.01382	100.0
59.34436	1.6
69.30341	1.7
70.87103	4.4
71.01384	17.3
73.02941	8.5
87.00883	6.8
89.02450	53.2
93.03495	2.4
94.99339	3.8
95.04974	2.2
101.02441	2.2
103.04030	2.4
121.02982	13.6
121.94447	1.6
124.12919	1.9
131.03485	5.5
141.03682	1.7
149.01344	2.0
149.02525	11.7
149.04553	21.5
149.06073	8.2
150.00197	3.9
156.48053	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	149.0455
Annotation	L-Arabinose
Peak:m/z	Relative Intensity
58.72324	0.7
59.01366	3.3
60.66797	0.8
66.37124	1.2
69.03457	1.3
69.35241	6.2
69.35636	1.8
71.01382	26.8
73.02948	20.0
87.00876	11.2
89.02444	100.0
90.02774	1.5
98.19949	2.0
101.02470	1.8
103.03988	4.4
115.03503	0.8
127.08963	0.8
131.03503	12.2
135.72472	0.8
148.37160	0.8
149.04550	47.2
150.04916	1.4
163.88469	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	L-Arabinose
Peak:m/z	Relative Intensity
59.01371	4.1
65.36237	1.2
70.48648	3.9
71.01377	25.9
72.55353	1.3
73.02943	20.7
81.48138	1.2
85.41547	1.1
87.00876	10.8
89.02448	100.0
90.02760	1.8
96.26286	1.4
103.04005	5.6
131.03502	15.2
149.04552	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52496	0.5
59.01384	4.5
64.40176	0.4
69.03455	1.9
69.43880	2.2
69.44295	0.9
71.01383	28.1
73.02947	20.3
83.58370	0.4
85.02956	0.8
87.00880	11.1
88.01285	0.6
89.02445	100.0
90.02763	2.1
97.24199	0.4
101.02434	0.9
103.03996	5.7
116.06368	0.4
131.03502	12.7
132.03911	0.5
149.04556	46.7
150.04893	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	148.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	2.3
60.25918	1.0
69.86877	1.1
71.01385	6.1
73.02938	3.0
86.13100	1.0
87.00896	2.5
89.02438	18.4
91.05557	1.5
93.03452	1.6
95.05058	1.3
102.95389	1.3
105.03471	4.4
119.05015	3.9
121.02956	19.7
122.03278	1.1
131.03488	2.8
134.03787	1.3
147.04527	20.8
148.05312	100.0
149.02461	2.8
149.04552	10.4
149.05676	4.9
164.45973	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0453
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
55.67689	5.0
57.03447	6.7
59.01388	27.9
59.97340	5.4
71.01388	60.6
71.54567	9.3
72.99308	6.9
75.00861	11.0
82.85728	5.5
83.01441	7.1
84.18181	5.6
84.99313	11.5
85.02975	14.4
87.00878	14.7
99.00898	24.6
101.02467	11.0
103.05568	11.7
119.05019	18.1
129.01933	9.3
147.02019	11.3
147.03267	9.5
147.04546	100.0
147.06601	6.7
148.04875	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	146.046
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
50.96219	1.1
51.43059	1.0
71.01443	1.9
84.04554	1.6
85.02943	1.2
90.52592	1.0
90.99403	0.9
98.20525	1.3
100.04073	1.5
101.02491	1.1
102.05608	100.0
103.05921	2.2
103.94842	1.0
112.70082	0.9
128.02592	2.5
128.03543	44.8
146.04599	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
55.16818	5.8
56.96410	5.4
57.82867	7.3
59.01355	13.8
63.61174	6.2
71.01377	19.7
79.75101	5.2
85.02959	10.0
86.39526	5.2
99.00857	13.3
103.05534	19.5
115.19605	5.9
119.04999	23.4
138.64700	6.7
147.03375	7.3
147.04526	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	146.046
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
57.03459	7.3
59.01379	2.8
61.98825	1.3
65.86885	0.9
69.67861	5.6
71.01376	2.4
74.02484	1.1
84.04556	1.5
85.02955	25.2
87.00888	27.2
101.02450	4.5
102.05617	100.0
103.04025	4.9
103.05930	1.8
128.03554	39.5
129.01973	12.2
129.03816	1.4
130.07875	0.9
146.04599	25.5
147.02983	10.1
147.06660	1.4
162.68259	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.087
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
62.34317	1.1
65.97594	1.1
70.92240	2.0
70.92573	1.4
97.06581	2.3
99.08158	100.0
100.08485	3.9
100.88906	1.0
102.17138	1.0
145.08705	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84114	0.7
60.03914	0.8
62.31290	0.9
68.92371	0.9
71.01402	1.4
73.54710	0.8
81.03472	0.8
83.01380	1.5
83.05036	2.4
90.35057	0.8
97.06075	0.8
97.06579	5.2
99.08163	100.0
100.08480	4.0
101.06087	3.0
102.05630	1.0
127.07603	2.3
145.02989	1.5
145.05000	2.7
145.06958	3.4
145.08716	55.7
146.02472	6.4
146.09067	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	144.0455
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
55.33682	0.3
65.99850	0.4
70.02808	1.2
70.03234	0.7
71.84013	0.4
75.75732	0.3
76.58135	0.4
102.03474	0.7
123.20314	0.4
144.04547	100.0
145.04918	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	145.0143
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
57.03441	9.8
59.01375	17.8
69.91310	19.5
71.01379	34.2
72.99329	11.6
73.02936	10.0
74.02469	15.4
77.86510	3.7
80.05461	4.3
83.01376	12.5
84.04552	14.2
87.00873	22.0
88.64855	4.0
95.41694	4.0
95.96697	5.1
101.02462	52.2
102.05603	100.0
109.04041	6.4
112.98808	9.5
115.00370	25.9
125.03566	6.9
127.00374	10.7
127.05117	29.6
128.03539	64.2
130.57811	3.9
144.86960	36.9
145.01427	21.2
145.06177	21.7
146.04568	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	145.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	9.8
59.01375	17.8
69.91310	19.5
71.01379	34.2
72.99329	11.6
73.02936	10.0
74.02469	15.4
77.86510	3.7
80.05461	4.3
83.01376	12.5
84.04552	14.2
87.00873	22.0
88.64855	4.0
95.41694	4.0
95.96697	5.1
101.02462	52.2
102.05603	100.0
109.04041	6.4
112.98808	9.5
115.00370	25.9
125.03566	6.9
127.00374	10.7
127.05117	29.6
128.03539	64.2
130.57811	3.9
144.86960	36.9
145.01427	21.2
145.06177	21.7
146.04568	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95795	2.6
53.00312	16.7
56.24613	2.5
58.80033	2.9
59.01369	8.5
59.52688	3.0
68.99829	3.6
69.86818	13.9
69.87203	4.8
71.01382	49.6
83.01401	5.4
85.02957	5.0
87.00872	11.2
96.99324	16.0
99.00916	2.9
110.98134	3.2
112.98809	22.4
115.00373	9.6
124.98796	46.6
138.23129	2.9
140.98308	6.8
142.99855	100.0
143.03537	5.0
144.00250	3.1
144.06689	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	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	16.4
59.01372	9.5
65.64486	2.6
68.99809	5.7
69.03422	4.1
71.01379	42.5
71.53156	4.3
72.99291	3.2
80.99825	5.3
83.01375	4.4
85.02978	11.4
87.00871	13.5
96.99319	11.5
103.33481	2.5
112.98817	23.8
115.00387	5.0
124.98813	50.3
140.98317	8.1
142.99869	100.0
144.00177	3.1
144.06596	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	142.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	3.2
55.01847	2.4
58.02968	5.6
59.01379	3.8
67.01887	11.6
69.57362	10.9
71.01389	13.8
71.99223	2.7
85.02950	5.6
94.08308	2.3
96.99318	2.8
97.32549	2.7
98.06110	6.8
98.20628	5.0
99.04530	9.0
100.04041	38.8
106.83494	2.3
111.00882	28.2
112.98792	2.9
114.05572	13.1
115.03983	4.2
124.98801	9.6
142.05096	100.0
142.08737	6.0
142.99896	15.6
143.03522	4.0
143.05383	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	142.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27491	1.7
53.00307	2.0
58.02977	14.3
59.01379	2.7
67.63007	1.6
70.15747	3.4
70.16139	3.6
71.01380	9.4
79.85178	1.6
83.01389	2.5
85.02933	2.6
87.00883	1.8
88.10803	1.6
96.09125	1.8
97.02924	2.2
98.06124	11.7
100.04050	100.0
101.04385	2.1
112.98821	3.4
113.02403	1.6
115.00434	2.0
124.98789	8.6
125.02423	2.2
140.98308	1.6
141.45085	1.6
142.05104	90.8
142.08731	9.2
142.99863	20.2
143.05446	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	139.0402
Annotation	3-METHOXYCATECHOL
Peak:m/z	Relative Intensity
55.01855	0.7
62.03949	0.8
63.02396	3.0
67.01890	0.9
70.90882	1.6
88.52374	0.8
91.58513	0.8
95.05039	1.1
96.02182	2.1
111.00861	3.8
124.01665	100.0
125.02002	3.3
139.00339	2.1
139.04007	20.6
140.04449	1.2
153.31633	0.8
153.86115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0401
Annotation	3-METHOXYCATECHOL
Peak:m/z	Relative Intensity
63.02386	2.4
65.31377	0.6
69.86592	2.4
71.38204	0.6
96.02183	2.9
97.02940	1.2
98.20623	1.1
98.30648	0.6
111.00892	1.7
112.52856	0.7
112.95074	0.6
124.01662	100.0
125.01997	4.2
129.05069	0.8
139.04013	24.4
140.04370	1.1
145.02521	0.6
153.54327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59618	1.7
52.18985	1.7
53.00304	2.2
56.15977	1.5
58.02968	8.2
69.81457	1.8
71.01390	7.6
76.87515	1.6
80.02654	1.6
81.45850	1.9
85.02947	1.8
96.99345	2.3
98.06123	8.8
99.04508	2.5
100.04045	78.5
101.04348	2.7
108.34963	1.7
112.98816	2.9
124.98788	5.2
134.42538	1.5
142.05103	100.0
142.08723	6.6
142.99860	14.4
143.03566	1.9
143.05443	4.5
147.90428	1.5
156.40834	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	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
51.07975	0.3
55.01878	0.3
64.47195	0.3
66.03453	0.4
67.01900	0.4
69.43404	2.2
73.32293	0.3
93.03465	0.4
93.23914	0.3
94.03784	1.8
94.98099	0.5
95.01402	0.3
108.02173	49.7
109.02491	2.1
111.00875	1.7
123.03295	0.6
136.00435	0.4
137.89088	0.4
138.01968	100.0
138.86115	0.3
139.00391	1.0
139.01541	0.3
139.02344	4.0
152.24887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
69.60298	1.7
69.60703	0.8
93.03465	0.6
94.03784	4.0
98.20793	0.5
105.13107	0.5
108.02179	53.4
109.02504	1.8
111.00874	1.0
115.17925	0.4
123.03269	0.5
137.11894	0.4
138.01982	100.0
139.00505	0.6
139.02327	4.5
139.04019	0.7
159.82031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99149	0.4
57.98307	0.4
63.90885	0.4
65.01440	0.5
66.15044	0.4
69.98592	1.8
71.65489	0.4
75.00819	0.4
80.02553	0.4
92.02544	7.1
105.33389	0.4
107.03637	28.1
108.03987	0.6
116.00675	0.7
134.04730	100.0
135.05051	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	135.0452
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
54.63089	0.5
55.02785	0.6
59.01375	0.6
65.99842	0.6
69.03458	1.7
71.01393	1.3
71.54457	0.6
73.02943	0.6
75.00851	2.3
77.62521	0.6
85.02968	0.9
89.02461	0.6
91.05535	1.3
92.05076	0.6
93.03438	3.5
106.04239	2.1
107.05038	9.5
108.02184	2.5
108.04560	0.9
109.11195	0.5
117.00777	1.0
117.03459	1.8
123.04481	0.8
134.03737	10.5
134.86604	2.9
134.89476	5.6
135.04518	100.0
135.08128	1.6
136.01680	1.0
136.03999	1.2
136.04860	5.2
137.63692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
53.26510	0.8
53.65286	0.8
58.19181	0.8
59.01377	1.0
62.98485	0.9
64.92345	0.9
70.84195	1.4
70.84518	1.4
71.01383	65.7
72.01694	1.5
72.99309	16.1
73.99656	0.8
87.00887	2.0
89.02457	7.2
90.20821	0.8
94.71226	0.8
115.00375	100.0
116.00703	2.6
133.01436	30.4
133.02446	1.7
143.98282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70643	1.1
60.19706	1.0
60.29951	1.1
69.99225	2.7
69.99617	2.2
71.01382	62.1
72.01733	1.6
72.99302	15.5
87.00877	2.2
89.02450	7.0
91.62870	1.0
115.00372	100.0
116.00726	2.9
133.01434	25.0
136.85915	1.1
146.09261	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0305
Annotation	Aspartate
Peak:m/z	Relative Intensity
51.71394	0.1
59.01374	0.8
59.19627	0.1
61.49549	0.2
69.90741	0.1
70.02983	1.0
71.01385	16.8
71.53070	0.3
72.00915	2.7
72.01722	0.4
72.73568	0.1
78.95906	1.2
86.02508	0.2
88.04045	100.0
89.03581	0.6
89.04375	2.1
96.96964	2.6
114.01973	5.3
114.03857	0.3
115.00378	24.6
115.02223	0.5
116.00726	0.4
132.03033	29.8
133.03407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
64.11998	0.8
65.09789	0.8
70.95592	1.9
71.01381	64.5
72.01692	1.0
72.99305	14.5
82.49588	0.8
87.00880	2.0
89.02446	8.6
107.03615	2.1
111.20563	0.9
111.50305	0.8
115.00375	100.0
116.00722	3.6
126.48951	1.0
132.86745	1.5
133.01434	29.1
133.05167	1.1
134.04736	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	131.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
64.63136	0.8
69.03450	8.6
70.39901	2.1
71.01382	3.7
73.02945	9.4
74.64131	0.8
85.06590	100.0
86.06929	2.9
87.04528	4.6
109.22008	0.9
113.06076	2.9
129.05605	1.4
131.03555	1.7
131.07144	52.3
132.07489	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	131.0714
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
51.90949	1.0
59.01374	1.4
59.61688	1.0
59.68598	1.0
69.03456	4.4
69.46695	7.7
71.01372	5.2
73.02936	14.0
73.03310	1.8
81.08216	1.2
83.05026	1.2
85.06587	100.0
86.06940	2.8
87.04512	5.2
88.66085	1.0
96.91496	1.0
97.01138	1.0
98.20606	1.7
113.06094	1.5
131.07138	53.3
132.07500	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	129.0559
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
50.21756	13.2
55.01886	19.6
58.02290	12.0
70.90567	29.4
85.02957	43.6
85.06580	23.9
94.40469	14.2
110.26668	11.4
117.12986	11.2
128.90128	34.5
129.01927	17.2
129.05612	100.0
129.07507	57.6
130.08725	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	130.0874
Annotation	Isoleucine
Peak:m/z	Relative Intensity
55.39238	0.5
56.26105	0.7
56.26375	0.8
62.81807	0.7
63.40765	0.7
70.03910	0.6
71.00618	1.8
73.02946	2.0
78.08166	0.7
85.23294	0.6
87.04515	2.5
88.04034	5.0
88.57658	0.8
96.22115	0.6
114.01956	1.5
116.84817	0.7
130.08742	100.0
131.08263	0.7
131.09105	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	130.0874
Annotation	beta-Alaninebetaine
Peak:m/z	Relative Intensity
57.03449	14.7
59.01376	10.6
63.67970	3.3
68.99812	20.9
69.03455	4.2
71.01394	34.8
72.04545	15.8
73.02946	97.5
75.00888	3.7
85.02946	8.6
87.04515	100.0
98.19901	7.0
112.07661	6.9
113.02434	6.5
114.05602	15.7
130.08713	19.7
131.03491	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	128.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.3
67.01895	1.1
70.56762	1.0
71.01361	2.5
72.39587	0.9
82.02991	2.8
85.02966	4.6
124.88795	0.9
128.03554	87.2
128.07188	100.0
128.90198	1.8
129.01990	1.3
129.03883	3.6
129.07523	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	128.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82802	0.5
67.01902	1.3
69.77611	3.2
82.02940	0.6
85.02943	1.1
98.20628	1.1
108.04147	0.6
128.03539	19.0
128.07178	100.0
129.03902	0.7
129.07553	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	128.0719
Annotation	DL-Pipecolinic acid
Peak:m/z	Relative Intensity
51.12615	1.0
62.73238	1.1
71.34238	1.6
73.11424	0.8
82.02982	1.2
84.21375	1.0
85.02944	1.2
86.72910	0.9
101.02335	0.9
128.03551	18.7
128.07184	100.0
129.07533	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	128.0719
Annotation	DL-Pipecolinic acid
Peak:m/z	Relative Intensity
61.03436	1.2
67.01033	1.1
69.66956	6.7
70.37176	1.4
70.97998	1.1
74.04680	1.2
85.02974	1.7
112.44511	1.1
127.14328	1.2
128.03531	1.4
128.07178	100.0
129.07574	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	129.0558
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
53.84795	15.3
55.01851	10.9
65.47662	11.7
70.28433	41.6
83.05020	13.4
85.02969	43.9
128.90166	36.1
129.05577	100.0
129.07510	67.8
130.08748	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0168
Annotation	2-Aminoethylphosphonate
Peak:m/z	Relative Intensity
57.03444	4.6
69.03459	6.0
70.30915	3.6
70.31271	11.5
70.80882	4.2
73.87903	3.2
81.03448	4.5
83.01393	4.9
94.03010	9.3
95.01417	5.1
96.02168	11.6
97.02933	6.2
106.31261	3.1
111.00867	4.9
117.96016	3.2
123.00885	3.6
124.01678	100.0
124.04018	11.0
125.02499	39.3
137.61917	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	124.0167
Annotation	triacetate lactone(1-)
Peak:m/z	Relative Intensity
60.31876	3.0
65.70802	2.5
66.03480	6.5
67.01909	3.4
69.03452	27.6
71.19578	3.6
71.19909	3.2
73.68452	2.7
80.05080	4.6
81.03460	11.2
82.02984	9.1
83.01382	3.6
90.28712	2.8
94.02979	16.8
95.01385	7.5
96.01739	10.2
96.04552	10.1
96.99323	7.2
97.02947	23.7
109.01727	3.4
111.00815	2.5
122.02481	4.0
123.00851	5.2
124.01713	53.5
124.04062	42.2
124.04877	5.6
124.98826	5.7
125.02451	100.0
125.06055	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	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
61.99913	0.3
63.63952	0.3
71.24793	0.4
71.25140	0.6
78.88293	0.3
84.91441	0.3
91.01882	0.7
92.02649	0.3
93.03421	2.0
94.03002	1.5
95.01394	0.7
97.53590	0.3
108.02187	2.5
120.86122	0.3
121.02954	100.0
122.02460	1.9
122.03300	4.9
131.57716	0.3
132.50668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0453
Annotation	Orcinol
Peak:m/z	Relative Intensity
59.25335	2.5
69.64445	14.8
79.05535	41.3
81.03465	40.6
81.51692	2.3
82.94020	2.5
86.64864	2.3
95.01392	14.4
123.00909	9.8
123.03629	5.7
123.04533	100.0
124.04856	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	1197.366
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04995	0.2
84.02161	1.6
85.02966	0.3
87.00928	0.1
89.02442	0.4
91.01920	0.2
93.03477	0.8
95.01366	0.3
95.05025	0.1
101.02422	0.7
107.01377	0.2
107.05029	0.4
108.01464	0.3
108.02180	4.5
109.02966	2.3
113.02469	0.3
117.03453	0.2
119.03532	0.2
119.05005	0.7
121.02950	1.9
121.06635	0.2
122.03748	1.2
123.00919	0.8
123.04498	0.7
123.51347	0.2
124.01620	0.3
125.02434	0.3
129.07056	0.1
130.04250	0.3
131.05029	0.6
133.02991	0.8
133.06595	0.4
134.03781	0.3
135.00896	0.2
135.04529	1.5
136.01666	5.8
136.98816	0.2
137.02463	2.8
137.92683	0.1
139.00424	0.3
143.05020	0.3
145.02936	0.4
145.06590	0.5
146.03720	0.5
147.04541	1.5
147.08192	0.4
148.05325	0.8
149.02414	1.1
149.06068	0.2
149.84612	0.2
150.03252	1.2
151.00395	0.3
151.03989	1.5
152.05710	0.2
158.03664	0.3
159.04469	0.7
161.02454	1.5
161.06094	1.4
162.03198	1.1
162.06876	0.8
163.04005	2.2
163.07635	2.4
164.01120	0.2
164.04782	0.2
165.01935	2.8
165.05579	0.2
165.99094	0.5
166.99796	0.2
171.04501	0.3
172.05252	0.3
173.04707	0.3
173.06007	0.9
174.03181	0.4
175.03996	3.0
175.07674	0.2
176.04790	1.3
177.05566	1.2
179.03577	0.2
180.90703	0.1
182.02231	0.7
187.04048	0.9
188.04768	0.3
189.01944	0.2
189.05553	1.9
190.06349	2.0
191.03506	2.2
191.05360	0.3
191.07121	2.7
193.05002	0.3
201.05608	0.6
202.06319	0.3
203.03508	1.3
204.04260	1.8
205.05020	0.4
205.08731	0.6
216.04263	0.3
217.05035	0.3
218.05788	1.2
219.06612	6.9
220.07233	0.7
227.03555	0.1
233.08176	0.5
234.05334	0.3
235.09818	0.6
248.13542	0.2
251.07133	0.2
265.08746	0.2
267.06683	0.2
277.05255	0.2
279.06625	0.4
281.08145	0.2
291.06778	0.2
293.08115	0.2
294.08768	0.2
296.10492	0.2
299.01929	0.4
299.12943	0.3
300.02734	0.8
307.06067	0.4
309.07745	0.3
312.09894	0.2
314.04300	0.4
315.05130	2.3
324.09976	0.4
327.12408	2.1
337.07275	0.2
337.10959	0.2
339.12320	0.5
340.09567	0.4
341.10196	0.2
353.06583	0.3
355.11893	3.1
356.12576	1.5
357.13605	0.8
364.16974	0.1
367.11865	0.5
370.10544	0.3
383.11261	0.5
385.12924	100.0
386.13260	7.2
477.10535	0.2
515.07123	0.2
519.11426	3.1
533.12958	0.2
563.17700	7.6
564.17981	0.8
1170.91553	0.2
1197.46582	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01376	3.0
62.19473	0.8
62.63053	0.7
64.21017	0.6
69.64164	1.9
69.64579	3.1
71.01377	2.5
72.66823	0.7
72.99340	1.7
85.15036	0.7
93.03431	2.0
95.86903	0.7
97.26392	0.6
98.19998	1.5
101.92458	1.2
104.35861	0.6
118.92652	1.9
119.05029	100.0
120.05347	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	1197.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
84.02163	0.3
85.02937	0.2
93.03464	0.3
95.01386	0.5
95.56260	0.1
96.99331	0.3
101.02465	0.1
104.00368	0.1
108.02159	0.6
108.99319	0.4
109.03011	0.2
110.00095	6.0
111.00935	0.8
119.03519	0.1
120.32040	0.1
120.99299	0.2
121.02961	0.4
123.00893	0.9
123.04519	1.0
124.98814	0.2
125.99590	0.2
132.02176	0.2
133.02962	1.3
135.00760	0.1
136.01711	0.2
136.98799	2.7
137.02467	0.3
137.99591	4.4
139.00383	4.6
141.99069	0.5
143.05057	0.3
145.02994	0.2
147.04570	0.2
149.02432	0.3
149.99626	0.5
150.03288	0.2
151.00377	0.3
151.03976	0.3
152.01143	0.1
153.99115	0.1
155.05032	0.3
156.02220	0.2
159.04483	0.3
161.02388	0.2
163.00388	0.2
163.04027	0.2
164.01167	0.2
164.98294	4.6
165.01984	0.3
165.99075	15.5
166.99861	5.9
167.03584	0.1
168.00204	0.1
168.05850	0.2
171.04523	0.6
173.02446	0.5
175.03975	0.2
176.04785	0.1
177.01842	0.2
177.05540	0.1
177.99112	0.7
178.99823	0.4
179.03467	0.2
183.03009	0.2
183.04506	1.9
184.05133	0.1
185.02495	0.2
187.04063	0.3
188.04787	0.2
189.05624	0.2
190.06351	0.2
191.03525	0.3
191.07100	0.2
192.00624	0.5
193.01413	0.3
193.98546	1.2
194.98915	0.1
199.04039	1.2
200.04791	0.3
201.01920	0.4
203.03426	0.3
204.04251	0.1
205.98502	0.4
206.99367	0.6
210.03203	0.2
211.04001	0.4
211.77664	0.1
213.01840	0.2
215.03491	1.4
216.04210	0.5
219.06537	0.2
220.07239	0.1
226.02739	0.3
227.03476	2.9
227.07053	0.2
228.00661	0.2
228.04250	1.2
229.01413	0.4
229.05045	0.2
230.05782	0.2
235.09810	0.1
239.03479	0.4
240.04228	0.2
241.05101	0.2
242.02217	0.3
243.02939	1.5
243.06557	0.2
244.03650	0.2
254.02168	0.4
255.02966	2.9
256.03717	0.9
257.04419	0.2
268.03754	0.4
269.04541	0.4
270.01718	1.1
271.02472	4.0
271.05475	0.2
272.02997	0.4
283.02469	0.4
283.06186	0.3
284.03189	0.2
285.04044	0.4
296.03323	0.2
298.01117	0.2
298.04675	0.1
299.01981	14.5
300.02740	32.3
301.03015	1.5
311.05484	0.3
313.03448	0.4
313.07080	0.2
314.04327	20.0
315.05087	83.4
316.05423	4.8
326.04385	0.2
327.05157	1.3
339.05020	0.1
355.11966	0.2
356.12637	0.2
357.05927	0.1
385.07861	0.2
385.12921	4.1
386.13358	0.3
401.12347	1.2
402.12903	0.2
444.06665	0.3
445.18054	0.1
459.09314	1.1
477.10373	5.5
478.10648	0.4
519.11414	100.0
520.11755	8.5
563.17706	1.2
564.18182	0.2
973.89886	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
58.60397	0.8
59.01377	2.8
62.24648	0.8
66.70517	0.8
69.57489	4.2
71.01385	1.7
83.69347	0.9
93.03448	2.6
98.19987	1.5
117.86075	0.8
118.92637	1.2
119.05028	100.0
120.05367	5.1
128.53668	0.8
136.02020	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
51.41366	0.8
60.59664	0.8
60.62820	1.0
71.22086	2.3
89.92936	0.8
91.05508	0.9
93.03463	3.4
118.92655	1.0
119.05027	100.0
120.05320	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	1185.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	0.5
93.03462	0.9
93.56947	0.2
95.01395	1.6
96.85380	0.2
105.03479	0.3
107.01381	0.4
108.02165	2.0
109.02955	7.6
111.00879	1.9
112.98833	0.2
115.23315	0.2
117.03450	0.8
119.05033	0.5
121.02965	5.3
122.03746	4.3
123.00890	10.5
123.04543	1.9
124.01688	4.6
125.02450	1.0
125.53537	0.2
133.02954	0.8
134.03732	1.2
135.04520	2.6
136.01663	19.2
136.05267	0.4
137.02448	19.8
138.03249	5.9
139.00349	0.4
145.02922	0.5
145.40010	0.2
146.03682	0.3
147.04520	1.9
149.02473	0.9
149.06178	0.2
150.03229	0.5
151.04002	16.9
152.01208	0.6
152.04265	0.4
153.01941	1.6
154.02718	1.1
159.04559	0.5
160.05241	0.5
161.02429	3.2
161.06064	1.6
162.03230	11.0
163.04010	28.0
164.04584	1.2
165.01865	0.5
165.05533	0.2
166.02689	0.2
167.03488	0.2
174.03200	0.2
175.03987	5.7
176.04768	0.8
177.02010	0.3
177.05559	10.3
178.05852	0.3
179.03494	8.4
179.06958	0.3
180.04008	0.4
187.03928	0.5
188.04770	0.3
189.05592	0.9
190.06354	0.9
191.07021	0.2
193.05042	3.8
194.05714	0.3
203.07120	0.5
213.05608	0.3
219.06544	0.4
239.06882	0.2
241.05016	1.0
256.07486	1.2
257.08054	0.3
267.06586	0.5
270.08667	0.3
281.08023	0.2
282.08649	0.3
297.07657	0.7
311.09216	0.7
312.09973	0.8
314.04169	0.2
324.10074	0.8
327.08740	1.6
341.10153	0.5
342.11060	51.9
343.11517	3.8
359.06808	0.3
411.18109	100.0
412.18469	8.1
430.22269	0.2
474.70377	0.2
1182.42468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0195
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01875	0.5
59.01369	0.9
60.74045	0.4
61.91322	0.4
69.63713	2.9
72.00932	0.7
73.02948	100.0
74.02483	1.2
74.03288	2.8
80.14151	0.4
85.73752	0.5
97.31405	0.5
99.00884	8.4
99.92604	1.7
116.92863	6.6
117.01948	16.5
117.07533	1.8
117.92884	1.0
118.02275	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
67.04208	3.6
69.79733	16.9
69.80139	6.5
71.01383	100.0
84.03824	3.5
98.20612	5.2
115.00368	15.5
115.05931	40.7
116.07169	17.9
128.28961	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	1153.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03451	0.8
83.01382	3.4
83.05035	0.3
89.03983	0.8
91.01918	0.5
93.03468	1.2
95.01401	0.6
95.05016	0.8
97.02932	1.1
99.04549	0.2
103.80953	0.2
105.03465	0.5
107.05023	2.4
108.02177	0.6
109.02953	8.3
113.12527	0.2
115.05489	0.2
117.03444	1.2
119.05018	0.8
120.02190	0.3
121.02953	2.0
122.03720	0.5
123.00885	0.4
123.04517	5.4
124.01707	0.3
125.02446	100.0
126.02779	2.0
131.05029	1.7
132.02171	0.8
133.02957	6.6
133.03902	0.5
134.03287	0.3
135.00905	0.5
135.04530	2.1
137.02444	11.2
138.03079	0.3
139.04001	1.6
143.05052	0.5
145.02928	0.8
145.06619	0.3
146.03726	0.5
147.04539	1.2
149.02435	3.0
149.06061	0.6
150.03233	0.6
151.04008	10.2
152.04329	0.3
155.05063	0.4
157.02974	0.4
157.06555	0.3
158.03705	0.6
159.04506	3.2
160.01636	0.4
160.05255	0.3
161.02443	34.9
161.06017	1.6
162.03212	2.5
163.00368	3.6
163.04004	3.8
164.01154	7.0
165.01924	5.7
166.02646	0.3
167.03506	1.5
167.04695	0.3
169.06535	0.3
171.04510	0.8
173.02423	0.7
173.06059	1.2
174.03218	0.9
175.03995	16.1
176.01176	1.3
176.04478	0.6
177.01926	12.2
177.05516	1.6
178.02473	0.5
178.81720	0.3
179.03522	1.5
183.04501	0.9
185.02480	0.4
185.06058	0.7
187.03984	4.0
187.07635	0.3
188.04736	1.0
189.01936	2.0
189.05536	0.7
190.02736	0.8
191.03528	1.0
191.05525	0.4
193.04985	1.3
196.05240	0.3
197.06110	0.6
198.03221	0.5
199.03978	5.1
199.07790	0.3
200.04669	0.4
201.01898	1.5
201.05582	3.0
202.02654	0.3
202.06264	0.6
202.99945	0.3
203.03491	3.2
203.07132	3.2
204.04318	0.3
205.01482	1.8
205.05040	2.7
209.06070	0.3
211.03920	1.2
212.04787	0.8
213.02010	0.3
213.05602	1.4
214.02718	0.6
215.03516	1.3
215.07103	0.5
216.00749	0.3
216.04227	0.2
217.01418	0.8
217.05034	8.4
219.02979	3.5
219.06560	0.8
221.08119	0.4
225.05548	1.4
226.02673	0.3
227.03477	2.5
227.07140	0.7
228.04242	0.8
228.34419	0.2
229.01373	0.3
229.04994	2.1
230.05811	0.3
231.02982	1.6
233.04311	0.2
235.03999	0.3
237.05557	0.3
240.04266	0.3
241.05058	1.2
242.02319	0.3
243.02965	23.2
243.06538	1.7
244.03503	1.4
245.04529	12.0
245.08173	3.6
246.04906	0.6
247.02327	0.4
247.06056	0.5
249.05527	0.5
251.03568	0.3
251.07214	0.3
253.05066	1.1
254.02180	0.3
254.05820	0.4
254.88567	0.2
255.02980	7.7
256.03745	2.7
257.04489	2.2
258.05176	0.3
259.02634	0.3
259.06027	0.5
261.03998	7.2
267.02972	0.9
267.06238	0.4
268.03766	0.3
269.04547	4.5
269.07391	0.2
270.05032	0.3
271.02457	0.9
271.06006	0.7
272.03165	0.2
273.04016	1.7
277.04935	0.4
279.02896	0.4
279.06622	0.4
280.03745	0.5
281.04498	2.4
282.01764	1.1
282.04926	0.3
283.02432	1.8
283.05981	0.6
284.03265	0.5
285.04056	2.8
285.07599	0.6
286.04715	0.6
287.05603	37.5
288.02911	0.5
288.05798	1.9
289.07178	12.8
290.07541	0.4
291.06723	0.3
293.04553	1.8
294.05234	0.3
295.02420	1.0
295.06155	1.2
297.04031	1.5
297.07309	0.4
299.05533	2.7
300.02707	1.0
301.03342	0.4
301.06918	0.2
303.05209	0.3
305.04578	0.5
307.02609	0.3
309.03995	0.8
309.07437	0.3
311.05588	0.9
313.07068	0.4
319.06076	0.3
321.07513	0.3
323.05515	0.6
327.05063	0.5
327.08698	0.3
329.06732	1.1
331.08221	0.4
335.05569	0.8
337.03455	0.4
337.07196	0.7
339.05048	0.5
339.08688	1.5
341.06638	1.5
347.05560	0.6
349.07236	0.5
359.05502	0.4
361.03488	1.1
361.07483	0.3
363.05063	1.0
365.06458	0.7
369.09827	0.3
373.03406	0.5
374.04001	0.4
375.04892	0.3
379.08273	1.0
381.05530	0.5
381.09894	0.6
383.07672	0.8
387.05057	1.4
389.06494	0.4
391.04547	0.4
395.07764	1.5
397.06009	0.4
405.06122	6.4
406.06677	0.5
407.07678	17.4
408.08148	1.6
413.08780	12.5
414.08932	0.9
417.05911	0.5
419.07727	0.3
423.07153	7.1
424.07730	0.5
425.08765	10.5
426.08978	1.0
431.07666	0.4
433.09210	0.6
435.07199	0.6
447.07611	0.6
449.08755	10.2
450.09006	1.1
451.10321	6.1
452.11346	0.3
455.09918	0.3
457.08972	0.6
465.08176	0.3
467.09711	0.7
525.08118	1.5
531.09082	1.4
533.10535	1.1
541.07440	0.4
543.09204	1.3
549.10138	1.4
557.10730	1.1
559.12787	1.4
561.10394	0.4
567.09448	0.5
569.10626	0.8
573.10724	0.3
575.11902	18.1
576.12030	1.9
577.13470	16.1
578.13800	1.7
585.10254	0.4
587.12006	3.1
616.12280	0.4
617.12634	0.4
619.14825	0.6
625.13947	0.8
627.15344	0.3
629.12921	0.6
651.11145	0.3
669.13580	0.3
683.14032	0.3
693.12573	2.0
695.14038	5.8
696.14325	0.6
701.15100	2.9
702.15887	0.5
705.12018	0.3
711.13446	1.0
712.14136	0.3
713.14911	2.1
714.15503	0.4
737.14905	1.3
738.15582	0.3
739.16656	4.8
740.16095	0.8
781.17163	0.4
805.18658	0.2
813.14362	0.8
814.14990	0.4
821.17328	0.6
831.15741	1.2
847.18872	0.8
849.16919	0.6
857.17334	0.9
863.18341	3.2
864.18903	0.6
865.03320	0.3
865.19818	6.3
866.20490	1.1
875.18628	0.5
907.21924	0.3
965.19598	0.8
983.20374	4.6
984.20532	1.1
1001.21991	2.0
1002.20746	0.5
1027.22791	1.6
1028.22388	0.4
1135.24622	0.3
1153.26135	2.6
1154.26770	0.8
1185.03076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1141.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03459	1.6
81.22954	0.2
81.31702	0.2
83.01386	0.6
83.05033	0.7
83.56168	0.2
84.02165	4.3
85.02965	0.4
87.00876	2.9
91.01919	0.2
93.03455	24.7
94.03783	0.5
95.01370	0.4
97.02959	0.3
99.00890	0.2
99.04517	30.5
100.04863	0.6
101.02440	5.4
103.05521	0.3
106.04250	0.2
107.05022	0.3
108.02171	7.6
109.02968	2.8
111.00862	0.5
111.04522	2.4
119.05013	0.5
121.02950	6.8
122.03725	0.6
123.00850	0.5
123.04522	0.6
124.01643	0.2
125.02441	24.7
126.02811	0.5
126.93607	0.2
129.01985	0.3
131.05031	0.5
133.02943	0.6
133.06601	0.3
134.03740	3.8
135.00897	0.2
135.04538	2.0
136.01649	4.8
137.02449	3.7
143.03496	1.3
143.05029	0.4
145.02959	0.9
145.06581	0.3
146.03726	0.3
147.04488	1.8
147.08131	0.4
148.05278	0.5
149.02449	1.1
149.06091	0.4
150.03224	1.3
151.04031	0.6
155.03510	0.8
157.06514	0.2
158.03822	0.4
159.04524	0.6
160.01704	0.2
160.05324	0.4
161.02480	1.6
161.06059	2.0
162.03220	3.4
162.06853	2.0
162.96442	0.2
163.04024	1.7
163.07654	1.6
164.04753	0.3
165.01909	2.0
165.05481	0.2
171.04485	0.4
172.05254	0.2
173.04541	19.7
173.05901	0.8
174.03299	0.4
174.04842	0.6
175.03990	3.6
176.04785	1.1
177.05501	0.5
178.02687	0.7
179.03514	0.5
179.07024	0.2
182.02211	0.6
187.03999	0.6
188.04710	0.3
189.05554	2.5
190.06357	4.6
191.03560	2.0
191.05591	1.2
191.07103	2.4
193.05090	0.7
193.08594	0.2
201.05565	0.5
202.06374	0.6
204.04251	1.9
205.05046	0.7
205.08638	1.0
216.04218	0.5
217.08662	0.5
219.06606	3.9
220.07341	1.8
222.05348	0.3
234.05292	0.4
234.09007	0.3
235.09715	2.7
267.06421	0.2
275.09225	3.1
279.06534	0.3
282.08875	0.3
284.10422	0.5
294.08917	0.2
296.10425	0.2
297.11099	0.2
299.12943	0.8
301.03152	0.2
305.08835	0.2
309.07758	0.4
312.09836	0.4
324.10315	0.4
327.12302	2.8
339.12204	0.4
352.08545	0.3
355.07990	0.3
355.11923	2.8
356.12595	5.6
357.13367	1.6
367.11841	0.6
375.72391	0.2
385.12900	100.0
386.13208	7.4
447.09412	0.4
448.09705	0.3
449.14520	13.1
450.14966	1.2
547.18018	0.9
589.19336	2.5
590.19330	0.4
617.37885	0.2
629.22388	0.4
647.23419	2.1
648.23419	0.2
659.64362	0.2
691.22369	14.2
692.23035	2.1
698.50415	0.2
736.55811	0.2
1141.46094	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0562
Annotation	D-Proline
Peak:m/z	Relative Intensity
53.99574	0.7
58.33577	0.7
66.03483	2.3
71.01387	2.4
71.33773	1.0
71.34120	1.0
112.04105	0.8
114.05614	100.0
115.05938	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	114.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50026	0.7
60.93819	0.8
66.03481	1.2
69.80418	3.3
71.01381	2.4
78.01967	0.7
90.08583	0.6
98.44891	0.7
114.05609	100.0
115.05962	2.7
123.97425	0.7
127.20818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71551	0.7
62.47509	0.6
66.03484	2.4
68.99568	1.0
70.72821	1.6
75.58800	0.7
96.34048	0.7
107.38992	0.6
107.50405	0.6
111.92398	0.6
114.05607	100.0
115.05935	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	113.061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
55.63388	0.7
57.03444	4.7
64.86353	0.7
66.03496	1.0
67.01879	0.8
68.99574	100.0
69.03452	4.8
69.19481	7.1
77.48159	0.7
80.01038	0.7
84.02181	2.0
85.02956	16.5
86.03255	0.8
112.98585	2.9
113.02460	6.0
113.06099	10.9
114.05610	70.5
116.06822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
87.66644	1.1
91.77709	1.3
93.03461	3.0
117.50056	1.1
119.13952	1.2
123.04484	1.2
137.02428	1.6
147.04466	1.2
149.02454	1.2
150.03163	3.6
165.05515	2.2
173.04492	2.3
179.07048	1.2
191.05574	3.4
236.89890	1.3
245.57167	1.2
292.28152	1.2
364.41330	1.3
385.12836	12.2
429.92639	1.1
484.07727	1.2
583.15814	100.0
584.16150	8.7
1130.06128	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	113.061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
55.55648	0.6
57.03445	4.3
64.74840	0.6
66.03490	1.5
67.01923	1.1
68.33559	0.8
68.99572	100.0
69.03451	6.0
69.84802	3.1
71.01379	1.0
84.02190	1.3
85.02951	11.9
86.10379	0.7
112.98555	4.4
113.02454	4.4
113.06092	16.6
114.05610	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
79.55498	0.3
81.03443	1.5
83.01400	0.3
83.05021	1.6
85.02935	1.3
87.00879	8.5
89.02467	0.4
89.03992	0.6
93.03458	64.8
94.03802	1.1
97.02947	0.5
97.06597	0.8
99.00867	1.4
99.04517	0.9
101.02419	0.4
105.03445	0.9
108.02177	0.4
109.02956	0.8
111.04517	8.5
113.02466	0.9
115.04027	0.5
117.03443	1.6
119.05004	0.5
121.02960	0.4
123.04537	0.5
124.01617	0.5
125.02467	0.9
127.04018	0.5
129.01936	1.5
132.02122	0.5
133.02960	4.3
134.03741	17.7
135.04539	5.9
137.02426	2.5
139.03987	0.4
143.03470	0.7
145.02953	1.1
148.05296	0.2
149.02461	0.9
150.03206	1.0
151.03981	1.1
155.03506	3.1
160.01660	1.2
161.02420	3.4
162.03223	13.0
163.03757	0.4
165.01915	0.3
165.05479	0.4
173.04541	40.4
174.04901	0.9
177.01949	1.3
178.02759	2.0
178.04185	0.4
179.03462	1.1
187.07648	0.3
191.05606	10.2
191.07130	0.5
194.02200	0.3
215.05579	0.4
231.10233	3.8
257.08130	0.5
275.09244	35.9
276.09579	1.6
293.09845	0.3
308.09109	0.5
326.03348	0.3
351.07108	1.0
352.07928	0.9
371.11313	0.9
449.14505	100.0
450.14801	6.4
461.18094	0.4
751.09229	0.3
1129.42664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02956	0.5
92.99824	0.3
108.02206	0.3
110.00108	3.2
121.02930	0.3
123.04527	1.6
124.01621	0.3
125.02477	1.1
133.02953	2.6
134.06117	0.4
135.04491	0.2
136.98778	1.4
137.02402	0.4
137.99588	1.5
138.00519	0.3
139.00407	0.3
140.44009	0.2
141.99011	0.3
145.02892	0.3
149.02428	0.4
149.99547	0.7
150.03226	0.3
151.00369	0.3
151.04004	2.4
153.01947	3.5
155.05019	0.4
156.02200	0.7
159.04492	0.3
161.02486	0.4
164.98288	8.2
165.99075	7.0
167.03494	0.5
168.00543	0.3
171.04498	0.6
173.02390	0.7
175.03954	0.3
177.99106	0.9
178.99857	0.3
182.03639	0.3
183.04498	2.9
184.76031	0.2
185.02406	0.5
186.03267	0.4
191.03688	0.2
191.05548	0.4
193.01390	0.3
193.05054	0.3
198.03310	0.3
199.02412	0.2
199.03937	1.4
201.01971	0.5
203.03442	0.5
205.05009	0.3
205.98563	0.9
211.03960	0.4
214.02692	0.6
215.03520	2.2
216.04213	1.1
226.02748	1.3
227.03481	3.7
228.00626	0.4
229.01445	0.7
229.05058	0.6
239.03403	0.3
241.04973	0.5
242.02219	2.6
243.02959	2.6
254.02191	1.0
255.02977	4.3
256.03299	0.3
257.04568	0.8
258.05298	0.4
269.04532	1.0
270.01688	18.1
270.99356	0.4
271.02438	7.4
277.81088	0.3
277.88834	0.3
285.04007	7.7
286.04343	0.4
298.01205	1.8
299.01971	40.2
300.02408	2.9
312.99789	0.3
313.03540	21.0
314.04315	90.4
315.04822	6.8
328.05872	8.2
329.06656	100.0
330.06979	4.9
339.04883	0.3
341.09079	0.4
367.14029	0.3
397.07822	0.6
426.05759	0.4
441.08347	0.9
505.13199	0.2
518.11066	0.3
533.13037	34.7
534.13361	2.9
594.27985	0.2
687.05884	0.3
755.29846	0.4
927.98236	0.2
949.87610	0.3
1057.39526	0.5
1089.41406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.476
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03467	1.8
83.01379	1.0
89.03961	0.6
91.05510	0.7
93.03451	4.3
95.01373	3.4
95.05040	1.0
105.03449	3.4
107.01379	1.6
107.04996	2.0
108.02175	7.7
109.02950	31.1
110.03279	0.4
111.00882	4.0
117.03468	16.5
118.03770	0.4
119.05013	1.2
121.02953	14.4
122.03757	5.8
123.00887	18.1
123.04527	8.3
124.01663	8.6
125.02471	1.8
131.05051	0.6
132.02158	0.5
133.02957	15.7
134.03758	3.3
135.00888	1.1
135.04520	7.1
136.01659	42.5
136.05223	0.7
137.02443	43.7
138.03227	8.2
139.00368	0.6
145.02911	1.3
146.03700	1.4
147.04512	5.2
149.02446	5.0
149.06055	0.8
150.03188	1.2
151.00462	0.7
151.04002	35.6
152.01117	1.3
152.04378	1.1
153.01935	2.1
154.02696	2.4
158.03694	0.5
159.04533	2.3
160.01645	1.2
160.05278	2.3
161.02432	19.4
161.06039	3.8
162.03223	22.1
163.04001	50.2
164.04597	2.5
165.05493	0.5
166.02686	0.4
174.03235	1.4
175.03995	12.9
175.07599	1.0
176.04715	1.6
177.05563	19.3
178.05934	0.4
179.03487	31.2
180.03983	1.0
187.04051	2.6
188.04758	0.8
189.05518	1.6
190.06386	1.7
191.07120	0.5
193.05025	6.3
194.02165	0.5
203.03497	1.1
203.07124	1.1
204.04268	0.5
205.04988	1.9
219.06577	0.7
241.05061	2.5
242.05501	0.4
250.22592	0.4
253.60818	0.5
256.07364	1.9
267.06619	0.9
281.08145	0.7
283.09616	0.4
296.06873	0.9
297.07718	1.0
311.09219	3.3
312.09872	0.6
313.10861	0.8
324.10059	2.3
327.08698	2.9
341.10196	5.3
342.11050	47.0
343.11487	2.9
410.17297	19.5
411.17975	1.7
421.26547	0.4
424.11911	0.6
425.12268	0.4
437.12210	0.9
438.13361	3.6
439.13846	1.6
441.15521	0.4
451.13965	0.5
452.14828	1.5
453.15768	1.1
455.09830	0.5
466.12408	0.5
467.13535	6.5
468.14346	0.6
470.12329	1.1
479.24356	38.9
480.14142	1.8
480.24561	2.6
481.15131	40.3
482.15701	8.0
494.15848	0.4
495.16751	8.7
496.17105	1.7
497.18588	3.3
509.14078	0.9
514.14886	12.5
515.15125	1.8
523.15979	0.5
525.14166	1.6
528.16840	2.0
535.15967	0.6
539.15448	3.7
540.16418	10.7
541.16791	2.0
551.19348	3.1
552.19318	0.5
553.17291	6.2
554.18121	2.6
555.18842	70.5
556.19092	10.0
567.18964	0.9
572.15479	27.5
573.15692	4.3
586.17059	5.7
587.17462	0.8
609.19684	2.1
610.20172	0.6
625.19922	0.5
627.20929	3.2
628.21198	0.6
640.21332	0.8
641.22516	100.0
642.23022	30.6
643.23712	2.3
672.20746	1.7
674.22253	31.1
675.22455	4.5
726.73639	0.5
788.12494	0.4
951.32257	0.6
952.32086	3.0
953.31378	0.8
965.35669	1.5
966.34192	1.0
969.31671	0.9
983.33624	7.2
984.34308	37.3
985.34650	7.4
995.11041	0.5
1052.40588	28.1
1053.40845	6.7
1089.45422	0.8
1121.47632	48.3
1122.47900	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	1119.6346
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05052	0.3
82.06622	1.0
83.02505	0.1
84.00893	0.1
84.08186	0.2
85.04092	0.1
85.61786	0.1
93.03453	1.6
94.06639	0.1
95.02517	0.2
95.05032	0.1
96.08216	0.1
98.01195	0.1
98.02460	0.1
100.07696	0.2
101.96200	0.1
106.04264	0.3
107.05048	0.6
108.02215	0.2
109.02971	0.1
110.06133	0.2
111.02003	1.2
112.00374	0.1
112.02770	0.1
112.07683	1.0
112.23611	0.1
114.01972	0.2
114.09238	0.1
117.03479	0.1
119.05029	5.7
120.05338	0.1
121.02916	0.1
121.07674	0.1
123.04520	0.1
123.09294	0.1
124.02837	0.1
124.07691	0.1
125.03544	0.1
126.09253	0.5
126.76540	0.1
127.08772	0.9
127.09629	0.1
128.07164	0.4
129.10344	15.7
130.08737	0.7
130.10739	0.3
133.05351	0.6
134.06128	2.2
135.04521	0.1
136.07677	1.0
136.10016	0.1
137.03554	0.1
137.07249	0.1
137.10776	0.1
138.05589	0.1
138.08035	0.3
138.09064	0.1
139.08783	0.8
140.07187	0.4
141.10367	0.2
143.11906	1.1
146.06035	0.1
147.53792	0.1
149.07170	0.1
151.03917	0.1
151.08804	0.3
151.09877	0.0
152.07190	0.4
153.06697	0.5
153.10316	0.6
154.08749	0.8
155.08267	6.2
155.11885	0.2
156.08623	0.1
157.09842	0.3
160.04037	0.1
162.03238	0.1
162.05598	0.2
162.12825	0.1
163.04010	3.7
163.08765	0.1
164.07187	0.6
164.14464	0.1
165.06697	0.1
166.07445	0.1
167.03511	0.1
167.08260	0.3
168.09064	0.1
169.09816	0.9
171.11388	3.2
172.09824	0.1
172.11699	0.1
175.70500	0.1
176.09480	0.1
179.15532	2.0
180.06659	13.2
181.07201	0.3
181.09818	0.7
183.15034	0.1
185.09384	0.1
186.12535	0.1
187.10887	1.6
195.15004	0.8
197.16603	2.7
198.16992	0.1
199.18146	0.1
205.13446	0.4
206.04588	0.1
206.11823	0.4
207.07718	0.2
207.15096	0.5
208.13435	0.2
211.10884	0.1
213.16095	0.2
214.12508	0.1
218.07088	0.1
221.16615	0.1
222.16158	0.6
223.14514	5.9
224.10402	0.2
224.14897	0.3
224.17438	0.1
225.15942	0.3
230.11882	0.1
231.07727	0.6
231.14966	0.1
232.13359	0.3
236.17847	0.1
237.16042	0.2
238.11984	0.2
239.17595	0.4
240.17151	0.7
242.18845	0.3
247.14507	1.4
248.14705	0.1
249.16080	7.4
250.16331	0.4
254.18730	0.2
255.17162	0.1
257.13071	0.2
258.11395	0.1
263.16351	0.1
264.17175	0.7
265.15466	0.1
272.11606	0.1
273.12436	0.2
275.13998	0.9
275.21243	1.2
277.15634	0.2
282.18155	0.4
283.16788	0.1
285.18265	0.1
291.13489	0.1
292.23975	0.7
293.15070	7.9
294.15247	0.3
294.18225	0.1
298.17969	0.1
310.24911	0.2
325.19330	0.1
329.21603	0.1
334.24942	0.5
336.23248	0.1
343.20264	0.5
344.16116	2.9
345.16397	0.2
360.22928	2.1
361.23273	0.1
362.24390	0.4
378.23849	0.2
384.85602	0.1
387.21634	0.7
388.15256	0.4
388.22205	0.3
404.16418	0.1
404.21820	1.4
404.26709	0.1
405.64484	0.1
423.07422	0.1
430.30804	0.6
431.20743	0.4
432.21048	0.1
433.29092	0.1
438.28036	0.1
453.27197	0.2
473.31378	0.3
502.24588	0.1
515.32452	0.3
517.30450	0.2
559.31317	100.0
560.31635	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	1117.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05022	0.8
83.01407	1.1
85.02946	4.6
87.00874	0.9
87.12433	0.6
87.26071	0.6
89.02459	5.8
93.03458	4.0
94.06636	0.8
95.01356	0.9
95.93723	0.6
99.00912	0.7
101.02440	7.6
106.06618	3.4
108.02168	27.2
109.03001	1.2
111.00893	0.5
113.02428	5.5
119.03461	2.8
120.08215	1.6
121.02876	0.6
121.05311	0.7
122.06119	7.4
123.04523	7.1
123.06449	0.6
125.02429	1.5
129.01932	0.8
132.04549	1.4
134.06122	22.6
135.04491	1.3
136.07690	1.3
137.02477	3.5
149.02423	0.9
150.03246	0.6
150.05592	1.5
151.00380	0.7
152.01143	42.8
152.07146	4.8
153.01715	1.1
158.02521	1.4
158.06039	0.9
160.04019	0.9
163.04021	0.8
165.01883	1.3
167.03482	25.0
173.04575	2.4
174.05458	0.6
177.01834	0.6
178.06413	1.1
179.03476	0.9
180.04237	1.0
182.22870	0.6
190.05125	4.1
191.05545	3.2
193.05000	0.7
193.08730	0.8
195.06642	0.9
213.10280	1.1
218.08278	0.6
221.10820	1.7
223.08691	2.7
224.09404	0.8
225.07735	0.6
225.10385	1.6
231.06616	1.9
235.08704	1.7
236.09587	1.0
237.10323	3.2
238.10980	1.0
239.11908	5.2
241.13441	1.2
249.06758	2.4
249.10298	2.6
250.07390	1.1
251.08257	2.5
251.11833	3.9
261.10236	1.7
262.11023	0.8
263.08163	3.9
263.11908	1.5
264.09058	5.5
265.09805	10.4
265.12845	0.9
266.10468	0.9
267.11386	0.8
269.12924	1.2
271.10913	1.3
272.09134	0.6
276.09149	1.1
277.09839	8.4
278.10513	2.8
279.07199	0.5
279.08292	0.9
279.11343	9.1
280.12228	1.4
281.12964	1.0
283.10965	0.8
285.12387	2.3
287.13953	0.7
289.09866	0.8
290.10538	1.5
291.08282	0.9
291.11368	4.4
292.08530	1.3
292.12094	2.7
293.09549	0.9
293.12912	0.9
295.10944	0.9
296.11316	0.9
305.09332	6.0
306.09769	1.1
307.10916	2.6
308.11523	0.7
309.08801	0.9
309.12216	1.0
314.12564	2.4
317.09219	1.6
318.10266	1.3
323.10336	1.7
324.11111	1.4
325.11847	0.8
335.10336	1.0
337.11938	3.3
342.12552	0.7
342.16193	3.0
354.12509	0.9
356.13962	1.8
358.15414	1.2
358.19403	0.9
359.07776	0.5
360.17245	1.7
366.12119	0.8
368.13968	1.2
369.14600	1.0
370.15591	1.9
371.12320	0.8
372.17047	1.8
373.13925	0.9
374.14877	0.7
382.15601	1.3
384.17490	2.7
386.14850	5.5
393.11789	1.3
396.13083	1.3
396.17679	1.2
398.14996	2.2
399.15521	1.1
400.16412	1.2
401.12396	1.0
402.18079	1.6
410.14975	1.8
411.15820	1.3
412.16644	2.3
414.18216	2.2
426.18207	2.4
427.19327	0.7
428.15781	3.5
430.17609	2.2
431.17615	1.3
440.15808	1.4
442.17963	1.3
443.18634	1.1
444.19211	1.6
446.17029	2.1
452.16092	1.1
453.16959	1.7
454.17889	1.7
458.17355	0.8
460.19235	0.7
470.17459	0.9
471.17780	3.6
472.18332	2.8
473.19241	1.3
489.19150	1.2
490.19772	3.2
517.18317	1.2
532.20966	1.0
565.24438	1.2
575.23621	2.8
593.24042	2.2
604.22443	1.0
605.23962	1.5
606.24756	1.0
610.23877	1.8
614.25916	2.3
615.26501	1.2
632.22632	3.9
633.23267	6.4
634.23907	0.9
650.23639	1.0
651.24371	1.7
664.25177	1.5
713.28644	0.9
727.29816	1.5
745.30060	0.8
753.27594	1.0
755.29291	53.5
756.29419	4.7
773.30139	9.1
774.30884	1.3
784.94794	0.7
785.30676	0.9
787.31787	6.0
799.71271	0.9
805.32935	5.9
806.32819	0.7
815.31226	1.3
826.30194	1.9
847.33990	1.9
871.35040	0.9
917.34369	9.1
918.35535	1.5
922.32477	0.7
947.35864	3.4
949.37225	22.2
950.37213	2.0
994.35016	1.5
1085.38757	41.8
1086.39331	5.5
1117.41418	100.0
1118.41614	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	1117.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
82.63619	0.7
83.01384	1.5
85.02950	4.5
87.00887	1.7
89.02446	6.1
90.62160	0.6
93.03458	3.3
94.11172	0.6
95.01353	1.4
95.59655	0.7
99.00893	1.0
101.02437	6.7
106.06623	3.5
108.01472	1.4
108.02178	23.4
109.03003	1.1
113.02446	5.5
119.03511	2.9
120.08241	1.4
121.02953	1.1
122.03691	0.7
122.06136	6.9
123.04527	6.4
125.02429	0.8
132.04536	0.7
133.03020	0.7
134.06119	21.2
135.04472	0.8
135.06407	0.8
136.04602	0.6
136.07672	1.2
137.02411	2.5
140.23647	0.6
150.03181	0.9
150.05699	0.8
152.01147	38.1
152.07185	5.0
153.01508	1.3
158.02377	1.2
160.04044	0.9
162.05495	1.2
165.01938	1.2
167.03497	23.4
173.04576	2.6
173.05960	0.7
180.84161	0.7
190.05086	2.7
191.05598	3.0
193.08701	0.8
195.06604	0.7
221.10861	1.9
223.08733	2.6
224.09492	1.4
225.07651	1.1
225.10344	2.0
227.12062	0.8
231.06354	0.9
235.08684	1.5
236.09377	0.8
237.10316	2.5
238.11034	1.5
239.11951	3.2
241.13399	1.4
249.06715	1.8
249.10345	1.9
251.08263	3.3
251.12018	3.3
253.13531	1.2
261.10306	1.4
262.07669	0.8
263.08270	3.7
263.11688	0.8
264.08945	5.7
265.09769	10.9
268.08359	0.6
271.10910	1.6
275.08231	1.1
276.09021	1.3
277.09775	5.0
278.07462	0.6
278.10532	2.7
279.11386	7.3
280.12039	2.0
281.12982	1.0
285.12393	1.7
287.14145	0.7
289.09866	0.8
290.10385	0.9
291.08228	1.1
291.11407	3.7
292.12152	1.9
293.12949	1.5
295.10938	1.2
296.11478	1.1
305.09329	5.5
305.12497	1.0
306.09982	1.1
307.10861	2.7
309.08966	1.1
314.12439	2.5
317.09476	1.0
318.10120	0.8
323.10309	1.5
324.11249	1.3
326.12888	0.7
328.10999	0.6
335.10422	1.0
337.12006	2.9
341.16071	0.7
342.16086	2.3
343.13110	0.7
354.12512	1.5
355.13257	0.9
358.15695	0.9
360.17108	1.9
368.13934	1.3
369.14532	1.1
370.15662	2.0
371.16476	0.7
372.17123	1.4
382.15936	1.1
384.17227	2.5
386.14966	4.9
386.18982	1.6
387.15784	0.9
396.12881	0.9
398.14615	1.2
399.15622	1.0
400.16336	1.4
402.18134	1.4
410.15027	0.7
412.16632	2.1
414.18268	1.9
426.18347	1.4
428.16165	2.6
430.17697	1.4
431.17642	1.1
436.06723	0.7
436.84113	0.7
440.15997	1.2
444.19354	1.5
446.17346	2.1
452.16330	1.8
453.16895	2.3
454.17523	1.8
458.17242	0.9
459.18112	0.8
470.17120	1.5
471.17984	2.7
472.18683	3.7
473.19153	1.1
488.18225	0.7
489.18668	0.8
490.19833	2.7
517.18152	1.0
532.21466	0.9
575.23547	3.1
576.75116	0.7
578.21692	0.9
593.23969	2.2
604.23145	1.2
605.23651	1.4
606.25110	1.1
610.23889	1.9
614.26544	1.6
632.22083	3.6
633.23236	6.0
634.24622	1.2
650.23511	1.3
651.24237	1.7
652.25018	0.8
664.25311	1.4
727.29364	1.4
745.30341	0.9
755.29291	53.5
756.29419	5.2
773.30353	9.2
773.43073	0.7
774.30090	1.1
787.31598	5.4
805.32953	6.9
806.33539	1.0
825.28729	0.7
826.30548	2.0
847.34076	3.7
917.34698	9.7
918.34241	1.0
947.35992	3.0
949.37262	23.0
950.38458	3.5
994.34344	1.8
1017.40704	0.8
1085.38831	42.4
1086.39429	5.9
1117.41455	100.0
1118.41943	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	1115.319
Annotation	Unknow
Peak:m/z	Relative Intensity
98.20567	0.3
123.04592	0.5
130.04185	0.3
130.15503	0.2
133.02974	0.5
134.00121	0.5
143.80721	0.2
149.99628	0.4
154.04240	1.3
156.02194	1.9
157.06590	0.4
164.98274	0.4
169.06592	0.5
170.03702	0.6
173.02444	0.3
180.00621	0.3
182.03683	1.0
185.06084	0.6
186.03232	2.4
187.29001	0.3
197.02460	0.3
198.03229	2.2
202.46838	0.3
213.05515	0.5
214.02654	1.5
226.02737	3.6
229.05099	1.9
241.01427	0.6
241.05093	0.6
242.02213	10.1
243.02495	0.3
254.02180	1.5
257.01004	0.8
257.04443	1.8
268.03900	0.3
269.00912	0.3
269.04669	0.4
270.01697	66.9
271.02072	3.0
279.69461	0.3
283.06073	0.3
285.04065	27.4
286.04605	1.2
298.01184	9.8
299.01523	0.5
313.03540	92.4
314.03928	4.2
328.05890	48.9
329.06271	2.8
343.08224	100.0
344.08517	5.2
829.19025	0.3
894.97308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0089
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01860	1.4
58.59534	0.5
67.01896	13.5
68.02211	0.7
70.18894	2.1
76.11325	0.5
78.95907	100.0
79.95734	0.6
80.85715	0.5
83.01392	4.1
84.04561	0.7
88.16445	0.5
94.48716	0.7
109.72185	0.5
110.97569	2.2
110.98531	3.3
111.00887	24.5
112.01215	1.2
112.04047	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.329
Annotation	Unknow
Peak:m/z	Relative Intensity
78.20186	0.2
81.03451	0.6
83.01385	1.1
91.01879	0.5
93.03455	0.8
99.04515	14.6
101.01788	0.3
101.02442	4.0
107.01396	4.1
108.02182	1.1
109.02959	2.2
113.02415	0.3
119.01370	0.4
121.02943	3.7
125.02445	10.9
126.02747	0.4
135.00870	0.8
139.04013	0.3
143.03496	0.6
145.02946	0.4
146.33348	0.2
147.04533	0.3
148.01663	0.6
149.02415	0.8
151.00368	14.6
159.04494	0.4
161.02473	0.4
161.06102	0.3
163.00357	3.5
163.04018	0.6
164.01117	0.5
167.05058	0.3
169.01489	0.4
171.04454	0.3
173.06033	0.3
175.04012	1.4
178.99860	6.6
183.04503	0.5
185.06085	0.5
187.03964	1.0
189.05536	0.3
190.06349	0.5
190.99890	0.5
191.05551	0.3
192.00615	0.6
193.01430	0.5
199.04015	0.5
201.05542	0.7
203.03477	0.4
207.77611	0.2
211.04022	1.6
212.04572	0.3
213.01888	0.3
215.03445	0.7
217.05003	0.3
222.05278	0.7
226.02715	1.0
227.03523	2.9
229.04971	1.3
231.03047	0.3
233.05966	0.2
235.07745	0.2
239.03511	0.7
240.04196	0.3
243.02974	6.6
244.03346	0.5
245.04463	2.5
253.08745	0.5
254.02158	1.5
255.02977	23.2
256.03384	1.2
263.07007	0.8
266.02060	0.4
267.06561	0.5
269.08215	1.4
271.02463	44.3
272.02994	2.5
273.03888	1.2
279.06689	1.1
281.08197	2.4
282.08847	0.3
283.02499	1.9
283.09589	0.3
284.03192	0.6
291.06656	0.6
293.08231	0.9
294.08902	1.3
295.09695	0.3
296.10513	0.4
297.04385	0.2
297.07672	5.7
297.11035	0.4
298.08035	0.3
299.01971	1.0
300.02731	76.8
301.03488	56.2
302.03757	2.0
305.08640	0.5
307.09662	0.4
308.10477	1.1
309.07657	9.3
309.11295	3.2
310.08081	0.5
311.09396	0.3
312.10062	5.1
313.10007	0.2
323.09204	2.7
324.10004	8.7
325.10226	0.4
327.12350	29.9
328.12683	1.7
339.12335	30.1
340.12842	1.3
357.13382	3.9
394.98792	0.2
447.09290	100.0
448.09631	5.9
619.23779	0.9
663.22937	24.9
664.23151	2.1
895.12927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1104.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	1.4
85.03014	0.2
98.60423	0.2
114.04308	0.2
135.31487	0.2
137.02478	0.8
145.12952	0.2
191.05588	0.3
220.65311	0.2
279.23260	7.0
280.23734	0.5
371.11353	0.4
372.11890	0.4
407.35388	0.2
437.12564	0.4
438.13318	0.4
450.13269	0.3
451.14160	0.9
452.14755	2.1
453.15195	0.4
465.16534	0.4
466.16348	0.4
469.11261	0.5
470.12112	0.3
476.27817	1.3
479.18234	0.4
480.13687	1.0
481.15088	7.0
482.15424	0.8
483.20401	0.5
484.13892	0.6
493.15103	1.8
494.16107	0.6
495.16721	11.2
496.17282	1.6
504.54129	0.2
507.16934	0.9
508.17773	1.5
509.18759	0.9
512.13184	1.6
521.14484	0.3
522.14905	0.3
523.16498	0.8
523.19586	0.9
525.13586	0.4
526.15002	0.8
530.14490	0.3
533.18109	0.6
535.16217	1.5
536.17035	2.7
537.17273	0.4
539.15344	0.5
540.16718	3.2
541.16058	0.3
542.73755	0.2
551.19366	43.4
552.19556	5.6
553.17340	0.6
554.18353	1.4
555.18768	0.8
567.19012	0.8
568.16425	0.7
572.15619	3.8
573.15576	0.6
583.22327	0.5
586.17090	4.1
587.17371	0.7
595.18262	1.9
600.18408	0.5
627.20941	100.0
628.21240	13.7
1104.49487	2.7
1105.49048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	3-FUROIC ACID
Peak:m/z	Relative Intensity
55.01879	16.4
64.49796	1.1
67.01900	8.2
70.28236	3.0
71.01378	4.6
75.33220	1.1
78.95904	100.0
79.95746	1.7
83.01385	56.1
83.05035	1.5
84.01708	2.7
84.04538	4.9
98.20042	1.7
110.89886	4.3
110.97570	6.0
110.98514	3.7
111.00169	2.0
111.00883	22.7
111.02003	3.4
112.04030	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	1101.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
98.20657	0.3
117.03441	0.3
123.04492	0.7
132.02191	0.2
133.02916	0.5
134.00108	0.5
141.03476	0.3
154.04248	1.7
155.76848	0.2
156.02170	2.5
158.03722	0.3
164.98236	0.2
169.02988	0.3
169.06467	0.4
170.03717	0.7
173.02380	0.2
182.03775	1.0
185.05986	0.4
186.03236	1.9
197.02477	0.3
198.03217	1.9
204.97639	0.2
211.16985	0.2
213.01962	0.2
213.05573	0.7
214.02690	1.6
226.02686	3.8
227.03043	0.3
229.04980	2.1
238.87866	0.2
241.01456	0.3
241.05090	0.5
242.02202	9.4
243.02478	0.3
254.02190	1.7
257.00876	0.6
257.04575	1.5
269.00888	0.3
269.04562	0.5
270.01682	66.1
271.02048	2.6
285.04050	26.2
286.04333	1.5
298.01178	9.0
299.01428	0.4
313.03525	82.6
314.03876	3.5
321.84225	0.2
328.05869	49.9
329.06210	2.0
343.08209	100.0
344.08578	4.2
371.10968	0.3
432.12988	0.2
816.12628	0.3
1102.20264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
79.87941	0.1
80.26627	0.2
85.02932	0.5
92.99715	0.1
93.03424	0.2
96.99281	0.2
97.72161	0.1
98.19849	0.2
109.02947	0.2
110.00087	1.1
111.00872	0.5
118.67036	0.1
121.02950	0.3
123.04555	0.7
129.01932	0.2
130.08719	0.1
133.02924	0.2
134.03735	0.2
135.04498	0.2
136.98811	0.8
137.02362	0.2
137.99570	0.5
139.00377	2.7
139.04024	0.8
147.04665	0.1
149.01295	0.3
149.02444	4.5
149.03630	0.3
149.99570	0.7
150.02792	0.2
151.00356	0.2
152.01085	0.2
153.01913	0.4
159.04498	0.3
160.01631	0.5
161.02368	0.5
164.98291	7.1
165.01915	0.2
165.99080	3.2
166.99794	0.5
167.03439	0.4
168.91081	0.1
171.04578	0.6
173.02400	0.2
175.00385	1.8
175.03976	0.7
177.99155	1.0
178.99821	0.6
180.00629	0.7
187.04048	0.7
189.01950	0.8
192.97760	0.2
193.04999	0.3
193.98613	0.6
197.02452	0.3
199.04024	1.2
201.01920	0.4
203.03476	0.5
205.98557	0.9
206.99133	0.2
209.04504	0.2
213.02040	0.2
215.03487	1.8
217.01469	0.2
219.03050	0.3
223.06180	0.2
225.01854	0.3
227.03462	0.4
229.01541	0.6
231.02916	1.1
241.01369	0.2
242.02174	0.2
243.02975	4.0
245.00893	0.5
247.02478	0.2
258.01688	0.2
259.02475	1.6
269.00830	0.4
270.01752	0.2
271.02414	1.5
285.03900	0.2
286.01260	0.4
287.01987	9.2
288.02213	0.4
297.00381	0.2
301.03564	0.4
315.01468	46.5
316.01807	2.8
329.03073	0.8
330.03806	61.5
331.04129	3.3
332.04550	0.2
345.06146	100.0
346.06497	5.6
347.06683	0.3
383.47787	0.1
505.13641	0.6
506.13669	0.6
507.13943	0.2
535.14539	0.2
549.12744	0.8
899.15149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
83.26263	0.4
85.02950	0.5
97.52093	0.3
98.20668	0.4
109.88676	0.3
111.16123	0.3
121.02958	2.1
125.02404	0.4
135.04472	0.5
145.02916	0.9
160.63913	0.4
161.04510	1.1
163.03975	1.0
175.03981	3.5
181.05487	0.4
190.06381	2.1
191.05534	0.4
197.06075	0.4
203.07074	0.9
219.08188	0.5
221.06493	1.3
222.05322	2.0
223.07683	0.6
225.09073	0.5
235.07529	0.8
239.07036	0.6
247.07439	0.4
249.05510	0.5
251.07053	1.1
252.07765	0.4
253.08743	1.1
261.05554	0.8
262.06296	0.5
263.07047	2.6
264.07986	0.3
267.06622	1.5
268.07339	0.5
268.11267	0.7
269.08170	4.0
271.02460	0.6
275.06943	0.4
276.07748	0.5
278.05573	0.3
278.09537	0.6
279.06616	3.0
280.07132	0.7
281.08157	6.9
282.08667	1.0
283.09671	1.2
291.06738	1.7
292.07349	1.0
293.08276	2.3
294.09009	2.9
295.09641	0.6
296.10455	1.6
297.07693	17.9
297.11069	1.2
298.07828	0.8
300.02710	1.2
307.09741	1.5
308.10373	2.7
309.07654	27.9
309.11276	8.7
310.08240	1.7
310.11432	0.5
311.05563	0.3
311.09137	0.8
312.10034	17.6
313.10342	1.1
323.09210	7.7
324.09998	20.9
325.10379	0.7
327.12350	100.0
328.12766	5.2
339.12344	98.7
340.12708	5.7
357.13431	10.8
357.17883	0.6
358.13721	0.4
442.30145	0.4
463.08923	1.0
519.18640	0.8
579.20776	8.1
580.21112	0.5
617.25836	0.5
635.27710	1.4
800.49915	0.4
841.95129	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6784
Annotation	Unknow
Peak:m/z	Relative Intensity
78.31728	0.1
78.95905	5.4
79.95727	0.4
80.96523	2.8
94.98085	0.7
125.02448	0.2
134.97574	0.2
137.02370	0.2
148.99088	0.3
152.98558	0.2
152.99643	1.0
164.98595	0.4
168.04327	1.4
191.05630	0.2
224.06898	0.8
225.00705	0.7
237.25911	0.2
242.07974	2.6
246.83040	0.2
261.22192	0.4
277.21634	0.2
279.23276	100.0
280.23593	4.0
291.85464	0.2
301.03946	0.2
303.76773	0.2
344.49109	0.2
504.30954	85.2
505.31277	5.9
519.27148	0.7
577.18396	0.3
577.26880	3.9
578.27051	4.0
578.34857	4.5
579.27209	0.3
579.35168	0.3
704.96802	0.2
707.21729	0.2
1044.72668	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03975	0.4
81.03470	1.4
83.01399	0.3
83.53279	0.2
84.01666	0.3
84.02165	5.0
84.69213	0.2
85.02962	0.3
87.00845	0.3
89.02443	0.3
89.03966	0.8
90.71045	0.2
91.05560	0.3
93.03455	1.8
95.01395	0.3
95.05012	0.6
97.02960	0.5
97.06574	0.5
99.04519	30.6
100.04865	0.5
101.02443	5.6
102.04756	0.2
103.05536	0.4
105.03471	2.7
106.04252	0.4
107.05013	0.3
108.02177	7.8
108.02918	0.4
109.02953	2.1
113.02448	0.3
117.03458	1.9
119.05019	0.8
121.02956	6.7
122.03735	0.6
123.00873	0.4
123.04519	0.8
125.02448	25.7
126.02774	0.5
131.03555	0.2
131.05054	0.4
133.02956	9.7
133.06581	0.3
134.03748	16.3
135.04533	6.1
136.00626	0.3
136.01660	5.0
136.05287	0.3
137.02457	6.1
139.03993	0.9
143.03482	1.3
145.03000	1.2
145.06635	0.3
147.04501	1.9
147.08171	0.4
148.05325	0.4
149.02415	1.6
149.04543	0.8
149.06001	0.2
150.03238	2.0
151.04045	1.1
159.04533	0.7
161.02419	2.3
161.04878	0.3
161.06079	2.0
162.03232	6.2
162.06851	1.7
163.03996	1.9
163.07655	1.1
164.04732	0.5
165.01898	2.4
165.05550	0.8
166.05783	0.4
171.04562	0.3
172.05304	0.3
173.04512	0.7
173.06090	0.7
174.03186	0.4
175.04007	3.8
176.04839	1.1
177.01936	4.5
177.03348	0.4
177.05557	0.5
178.02705	4.4
179.03519	1.3
179.07065	0.3
182.02107	0.4
187.04042	0.7
187.07610	0.7
188.04636	0.3
189.05586	2.1
190.06363	4.3
191.03532	2.1
191.05563	0.4
191.07112	2.7
193.05048	0.6
195.06514	0.3
201.05626	0.4
202.06360	0.7
203.10831	0.4
204.04303	1.7
205.05127	0.5
205.08722	1.0
213.09105	0.3
216.04291	0.5
217.04881	0.2
217.08600	0.3
219.06599	4.6
220.07407	1.6
222.05260	0.3
226.45638	0.2
231.10249	9.9
232.10551	0.5
234.05354	0.7
234.09019	0.3
235.09767	2.7
257.07938	0.3
275.09247	24.8
276.09613	1.0
279.06628	0.2
281.08337	0.2
282.08984	0.3
284.10519	0.5
299.12906	0.8
305.08844	0.3
309.08011	0.3
309.11331	0.3
310.06982	0.3
312.10132	0.6
323.09332	0.3
324.09912	0.3
327.12366	2.7
337.10904	0.3
339.12418	0.6
340.09290	0.3
355.08017	0.4
355.11938	3.7
356.12619	5.9
357.13290	1.6
367.12042	0.5
385.12915	100.0
386.13290	6.9
388.04745	0.2
401.12521	0.3
407.13416	6.7
408.14325	0.3
449.14432	1.1
506.18570	0.4
547.18048	0.6
554.21393	0.3
589.19220	3.0
590.19574	0.3
629.22894	0.3
647.23242	2.4
675.13403	0.3
691.22418	15.4
692.22467	1.9
967.39209	0.3
1099.43066	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02683	0.3
81.03472	0.2
83.05038	0.9
85.02956	0.2
85.06632	0.2
93.03456	0.5
93.07104	0.3
95.01351	0.2
95.05025	0.4
97.02917	0.3
97.06583	0.6
107.08682	0.7
108.05771	0.2
109.06617	0.3
111.08140	1.9
116.92858	0.2
119.08668	6.5
119.09516	0.4
121.02945	0.2
121.06619	0.3
121.10239	0.6
123.04617	0.2
123.08140	0.6
125.08839	0.2
125.09727	3.5
127.07650	0.5
127.11292	2.0
135.08177	1.1
137.09720	13.8
138.10127	0.3
139.11292	1.3
141.09212	0.3
141.12849	0.3
148.08945	0.2
149.09705	0.8
151.04053	0.3
151.07637	0.8
151.11281	1.2
152.08426	0.4
153.09178	0.9
153.12846	0.4
155.10779	2.0
157.12346	0.4
165.09250	0.3
165.12929	0.3
167.10771	2.2
169.12312	0.8
171.10266	56.5
172.10587	1.6
175.14937	0.3
183.10274	2.8
185.11818	12.5
186.12152	0.3
195.10194	1.1
197.11821	6.8
198.12105	0.3
199.13399	0.4
201.09570	0.3
201.11324	4.7
208.11143	0.2
209.11893	0.7
209.15479	0.7
211.13391	1.8
213.11311	3.5
223.13388	0.4
225.14906	0.3
227.12866	0.3
229.19580	1.3
247.20694	0.6
251.16541	0.3
263.20068	0.7
265.18002	0.5
273.18594	6.1
277.18091	0.2
291.19650	21.5
292.20078	1.2
309.20694	100.0
310.21054	5.4
757.24756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01891	0.1
79.05525	0.1
81.03443	0.2
83.01379	0.3
84.02164	5.0
84.60458	0.0
85.02960	0.3
89.02438	0.7
91.01886	0.1
91.05542	0.2
92.71795	0.0
93.03453	1.1
95.01391	0.5
95.05025	0.1
97.02953	0.5
99.04571	0.1
101.02440	0.5
102.04741	0.1
103.05529	0.4
104.43396	0.1
105.03448	0.2
105.07133	0.1
106.04305	0.1
107.01373	0.1
107.05026	0.3
108.02172	9.7
109.02970	2.4
111.00867	0.1
113.02449	0.3
115.05547	0.1
117.03453	0.2
117.07099	0.2
119.03532	0.3
119.05020	0.7
119.08639	0.1
121.02953	8.1
121.06582	0.2
122.03790	0.9
123.00893	0.6
123.04527	0.7
124.01630	0.1
125.02422	0.2
129.07108	0.1
129.89948	0.1
130.04250	0.2
131.05020	0.8
132.02190	0.1
133.02055	0.1
133.02962	0.9
133.06592	0.4
134.03752	0.7
135.00922	0.2
135.04523	1.0
136.01660	5.5
136.05272	0.3
137.02448	3.4
137.03535	0.1
137.05975	0.1
138.03171	0.2
143.03467	0.1
143.05031	0.3
144.05763	0.1
145.02950	0.7
145.06572	0.3
146.03726	0.5
147.04515	2.7
147.08159	0.5
148.01627	0.1
148.05321	0.7
149.01274	0.1
149.02444	1.3
149.04408	0.0
149.04973	0.1
149.06082	0.5
150.03221	1.5
151.04022	0.5
152.01237	0.1
153.01907	0.1
158.03732	0.4
159.04529	0.7
160.01698	0.1
160.05319	0.4
161.02444	1.3
161.04610	0.3
161.06061	2.6
162.03229	1.2
162.06859	2.3
163.00359	0.1
163.01891	0.1
163.04010	1.9
163.07637	1.8
164.04773	0.5
165.01923	2.7
165.05577	0.1
166.02193	0.1
166.99977	0.1
168.04227	0.1
171.04521	0.3
172.05267	0.2
173.02394	0.2
173.06038	0.8
174.03195	0.5
175.03996	5.1
175.07523	0.1
176.04785	1.4
177.01955	0.4
177.05554	0.7
177.09206	0.2
178.02686	0.5
179.03461	0.2
179.05620	0.3
179.07167	0.3
181.05096	0.1
182.02180	0.9
186.03189	0.2
187.03983	0.9
188.04749	0.5
189.01939	0.1
189.05557	2.8
190.02722	0.1
190.06343	5.4
191.03500	2.5
191.07123	3.1
192.04195	0.1
192.07413	0.1
193.05045	0.7
193.08676	0.2
200.04753	0.1
201.05591	0.4
202.06403	0.6
203.03468	0.2
203.07127	0.1
204.04262	2.2
205.05037	0.7
205.08662	1.3
205.29414	0.0
206.05734	0.1
206.09215	0.1
207.02896	0.1
208.03760	0.2
211.04356	0.1
213.05563	0.1
216.04279	0.5
217.05049	0.2
217.08701	0.3
219.06604	4.1
220.07385	1.9
221.07831	0.1
222.05267	0.4
230.29692	0.1
234.05247	0.4
234.09039	0.1
235.09738	2.1
236.10304	0.1
239.07072	0.1
247.09779	0.1
251.07120	0.1
253.08643	0.1
253.35756	0.1
254.09477	0.1
261.05499	0.1
263.07025	0.1
264.07742	0.1
265.05173	0.1
265.08646	0.1
266.05695	0.1
267.06586	0.2
268.10941	0.1
279.06567	0.4
279.09796	0.1
280.07202	0.1
281.08405	0.3
281.11227	0.1
282.08887	0.3
283.09799	0.1
283.13419	0.1
284.10544	0.6
291.06686	0.1
293.04871	0.1
293.08197	0.2
293.11542	0.1
294.05444	0.1
294.08939	0.3
295.06369	0.1
295.09723	0.1
296.07025	0.1
296.10513	0.2
297.07632	0.2
297.11292	0.4
298.12091	0.4
299.12851	1.0
307.06107	0.2
308.06992	0.1
309.07675	0.3
309.11282	0.3
310.08337	0.1
310.11755	0.1
311.09155	0.2
311.12747	0.1
311.76413	0.1
312.09979	0.5
321.07367	0.1
322.08432	0.2
323.09171	0.1
324.10031	0.4
325.07147	0.1
325.10638	0.1
326.07880	0.2
326.11600	0.2
327.09335	0.1
327.12360	2.9
328.12778	0.2
337.07440	0.1
337.10776	0.1
338.11545	0.2
339.12384	0.5
340.09677	0.3
341.10263	0.2
342.10925	0.3
345.13275	0.1
352.09360	0.3
355.11850	2.6
356.12613	6.1
357.13324	1.3
358.13745	0.1
367.11868	0.5
369.09796	0.1
370.10571	0.1
385.12900	100.0
386.13232	5.5
415.10516	0.1
791.27850	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	109.0295
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
60.95017	0.9
66.03489	6.4
67.03014	1.4
69.03419	1.3
70.86310	2.6
81.03460	4.4
85.02953	2.7
88.73209	1.1
95.01404	2.7
97.48249	0.9
97.60229	0.9
108.02172	100.0
109.02988	54.1
109.04054	1.4
110.02507	2.4
110.03279	2.4
123.00869	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	1091.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03448	0.2
83.01392	0.3
84.02167	0.3
85.02947	0.3
87.00891	0.2
89.02441	2.8
91.05509	0.1
91.35388	0.1
93.03462	0.4
95.01370	0.2
97.02943	0.6
98.19995	0.1
98.55455	0.1
99.00891	0.7
99.04538	0.1
101.02453	1.0
103.05496	0.1
105.93485	0.1
108.02163	0.7
109.02953	0.2
111.00884	0.1
113.02442	0.6
115.04018	0.3
119.03584	0.1
119.05024	0.3
121.02956	1.8
121.06613	0.2
122.03730	0.5
125.01526	0.1
125.02439	3.0
126.94332	0.1
127.04025	0.1
131.03493	0.7
135.04517	0.1
136.01694	0.4
137.02409	0.4
143.03462	0.2
147.04532	2.1
148.05299	100.0
149.02400	0.1
149.04523	1.1
149.05632	2.6
150.03282	0.2
161.02509	0.1
161.04523	0.2
161.06021	0.2
162.06932	0.1
163.07640	84.7
164.07956	2.3
164.09355	0.1
165.01935	0.3
173.04625	0.1
175.04057	0.5
176.04791	0.2
177.05420	0.1
178.77374	0.1
182.02098	0.1
189.05577	0.2
190.06389	0.4
191.03581	0.2
191.05588	1.2
191.07141	0.3
202.06264	0.1
203.05553	0.3
204.04182	0.2
205.05136	0.1
205.08635	0.1
216.04243	0.1
219.06577	0.3
220.07359	0.1
233.06633	2.6
233.08948	0.1
235.09738	0.2
281.07898	0.1
293.08765	9.1
294.09058	0.3
327.12360	0.2
355.11783	0.2
356.12540	0.5
357.13116	0.2
367.13937	1.6
368.14047	0.1
371.11368	0.2
372.11679	0.1
385.12885	3.4
386.13217	0.2
448.57428	0.1
449.14493	0.2
496.12411	0.1
619.08612	0.1
679.22412	0.2
1091.41345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01398	0.3
91.01874	0.3
93.03451	0.2
107.01392	1.4
108.02176	0.6
109.02946	0.7
119.01350	0.2
121.02958	0.8
125.02474	0.4
135.00903	0.5
144.57051	0.1
147.04527	0.2
148.01694	0.5
151.00363	7.5
152.01059	0.1
161.02409	0.2
163.00319	1.3
164.01169	0.4
165.01913	0.2
169.01425	0.3
178.99857	3.9
184.05531	0.1
187.03960	0.3
189.05519	0.2
190.99934	0.2
192.00632	0.3
193.01413	0.2
199.03973	0.3
201.05440	0.2
203.03531	0.2
205.03511	0.1
211.03925	0.8
215.03513	0.4
216.04248	0.4
226.02684	0.8
227.03467	1.5
229.01498	0.1
229.05051	0.4
229.37222	0.2
239.03555	0.3
243.02966	5.8
244.03505	0.5
245.04443	0.7
254.02177	1.3
255.02971	14.7
256.03238	0.9
271.02460	32.4
272.02966	2.2
273.03906	0.6
273.68817	0.2
283.02551	1.0
290.67142	0.1
299.02045	0.8
300.02731	65.4
301.03467	26.3
302.03766	1.3
343.04602	0.7
440.49921	0.2
447.09375	1.1
463.90482	0.1
609.14563	100.0
610.14923	8.4
610.25024	0.3
611.15033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01391	0.4
93.03496	0.1
103.62100	0.1
107.01394	1.7
108.02158	0.8
109.02973	0.6
121.02943	0.9
124.01645	0.2
125.02393	0.1
135.00887	0.4
137.02371	0.1
142.73611	0.1
147.00911	0.1
148.01657	0.4
149.02396	0.2
151.00365	7.4
152.00826	0.1
154.22536	0.1
159.04457	0.1
163.00349	1.4
163.03941	0.2
164.01140	0.2
169.01456	0.3
173.06284	0.1
175.04036	0.1
178.60788	0.1
178.99857	3.6
183.04556	0.2
187.03946	0.3
190.02644	0.1
190.99998	0.1
191.03419	0.2
192.00658	0.1
193.01501	0.2
199.04010	0.4
201.05554	0.3
203.03462	0.3
204.04179	0.1
211.03891	0.5
214.02873	0.2
215.03500	0.4
216.04219	0.3
226.02647	0.9
227.03482	2.0
228.04114	0.2
229.05019	0.4
231.02925	0.1
243.02972	5.4
244.03638	0.4
245.04520	0.7
254.02237	1.5
255.02975	15.6
256.03427	0.9
257.04565	0.1
266.02032	0.2
271.02463	33.6
272.02957	1.9
273.03922	0.6
283.02509	0.7
299.01984	0.8
300.02734	66.3
301.03473	27.8
302.03790	1.3
313.03412	0.2
343.04492	0.7
393.50323	0.1
447.09286	1.3
463.08569	0.1
477.19507	0.3
609.14563	100.0
610.14850	8.2
610.25262	0.2
611.15027	0.9
785.38031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03450	1.4
83.01376	0.3
83.05040	0.9
84.01654	0.2
84.02163	4.9
85.02962	0.5
87.00877	5.9
91.05521	0.2
93.03455	44.9
93.83704	0.1
94.03777	0.7
95.01375	0.5
97.02946	0.4
99.00881	0.6
99.04509	0.6
101.02460	0.3
102.04709	0.1
103.05547	0.4
105.03498	0.2
107.05018	0.4
108.02172	7.9
109.02945	2.9
111.00864	0.4
111.04517	5.0
112.04893	0.1
113.02449	0.9
115.03974	0.3
115.05543	0.1
117.07071	0.2
119.05031	0.5
121.02950	6.9
122.03777	0.8
123.00882	0.5
123.04552	0.7
124.01653	0.4
127.04029	0.2
129.01955	0.8
131.04993	0.8
132.02188	0.2
133.02994	0.9
133.06596	0.3
134.02722	0.3
134.03738	5.3
135.00902	0.3
135.04529	3.8
136.01657	5.3
136.05292	0.2
137.02443	3.7
143.03484	0.3
143.05035	0.3
145.02913	0.8
145.06583	0.2
146.03734	0.2
147.04504	2.2
147.08157	0.4
148.01721	0.2
148.05302	0.7
149.02425	1.2
149.06050	0.4
150.03221	1.8
151.03998	0.9
155.03503	1.6
158.03716	0.2
159.04515	0.5
160.01680	0.4
160.05310	0.3
161.02438	2.4
161.06071	2.3
162.03218	4.4
162.06851	1.9
163.03998	1.8
163.07628	1.6
164.04765	0.3
165.01938	2.2
165.05530	0.2
171.04503	0.3
171.63805	0.1
172.05310	0.2
173.04544	29.2
174.03238	0.4
174.04886	0.5
175.03995	4.0
175.07558	0.2
176.04732	1.3
177.01968	0.4
177.05556	0.6
177.09189	0.2
178.02692	0.8
179.03494	0.9
179.07175	0.3
182.02222	0.5
187.03966	0.5
188.04785	0.4
189.05569	2.2
190.06334	4.9
191.03488	2.2
191.05563	2.8
191.07147	2.4
193.05096	0.7
201.05618	0.4
202.06332	0.5
203.07294	0.1
204.04260	2.0
205.05040	0.6
205.08673	1.2
208.03705	0.2
215.05653	0.2
216.04240	0.5
217.08701	0.3
219.06604	4.3
219.10033	0.2
220.07376	1.7
222.05406	0.2
231.10176	0.3
234.05284	0.4
235.09764	1.9
247.09680	0.2
257.08209	0.2
267.06519	0.3
275.09229	4.7
276.09781	0.2
279.06705	0.3
281.08160	0.3
282.09048	0.4
284.10519	0.7
287.14001	0.5
294.08932	0.4
296.06943	0.2
296.10266	0.2
297.11264	0.2
298.12064	0.2
299.12863	0.9
300.03018	0.2
301.03241	0.4
307.08511	0.2
308.09042	0.4
309.07761	0.3
309.11304	0.4
310.11978	0.2
311.09180	0.2
312.09988	0.5
324.10114	0.4
326.11423	0.2
327.08679	0.1
327.12317	2.8
337.10596	0.3
338.11481	0.2
339.12360	0.6
340.09567	0.3
341.10110	0.2
342.11099	0.2
351.07166	0.5
352.08002	0.8
355.07959	0.3
355.11847	2.5
356.12643	5.3
357.13348	1.4
367.11798	0.4
381.11896	0.2
385.12900	100.0
386.13199	5.1
447.09311	0.4
448.09668	0.3
449.14502	44.9
450.14874	2.3
1083.40332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.392
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03986	0.1
81.03451	1.5
83.01373	0.2
83.05021	1.6
85.02945	7.2
87.00874	7.6
89.03971	1.2
91.05515	0.2
93.03454	52.0
94.03786	0.9
95.01377	0.3
95.05037	0.3
96.02166	0.1
97.02956	0.3
97.06601	0.6
98.19915	0.3
99.00875	0.9
99.04493	1.1
101.02461	0.2
105.03462	0.9
106.04240	0.3
107.05019	0.5
108.02189	0.8
109.02943	1.9
111.00915	0.7
111.04514	7.5
113.02455	0.7
115.04019	0.4
117.03462	2.6
118.18019	0.1
119.05042	0.2
121.02933	1.2
122.03738	0.3
123.00860	0.3
123.04563	0.2
123.78739	0.1
124.01655	1.8
125.02438	1.1
126.03210	0.4
127.04002	2.7
129.01921	0.9
132.01230	0.2
132.02177	3.5
133.01906	0.3
133.02953	7.2
134.03737	18.0
135.04524	27.7
136.04875	0.6
137.02440	5.5
138.03220	0.4
139.04007	0.9
143.03491	0.5
145.02928	0.5
149.02437	0.5
149.06081	0.2
150.03223	1.6
151.00446	0.2
151.03999	3.2
152.01118	0.8
153.01942	0.3
155.03508	2.5
158.03659	0.2
159.04497	0.1
160.01654	9.2
161.02449	2.0
162.03210	3.1
162.42032	0.1
163.04024	0.6
165.01906	0.2
167.03477	0.2
171.02960	0.6
171.04274	0.1
172.05322	0.1
173.04536	40.9
174.03372	0.2
174.04874	0.9
174.06212	0.1
177.01923	3.6
177.05539	0.2
178.02695	5.0
179.03484	5.2
180.04202	0.4
181.05037	0.2
183.04486	0.2
187.07632	0.8
189.05545	0.2
191.05598	100.0
192.05933	2.2
194.02151	0.2
203.03490	0.1
203.10614	0.1
205.04941	0.2
206.05896	0.1
213.09248	0.7
215.05515	0.7
221.04643	0.2
229.08868	0.3
231.10246	1.5
257.08173	5.7
258.08478	0.2
275.09238	16.5
276.09564	0.8
276.12198	0.1
287.22275	0.2
290.07898	0.2
307.08215	1.9
308.09003	4.1
309.09290	0.3
311.05627	0.2
323.07690	0.2
351.07193	5.6
352.07962	14.9
353.08185	0.9
371.11316	5.0
371.16116	0.2
372.12079	3.4
373.12549	0.2
431.13422	0.3
449.14487	83.7
450.14850	6.0
469.18588	0.8
484.09131	0.1
631.23846	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	108.0218
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
58.14123	0.7
62.27361	0.7
66.03496	0.8
67.01893	10.3
67.02990	1.5
69.90379	3.0
70.17271	0.8
81.03460	2.4
85.02935	1.0
91.09142	0.9
93.82143	0.8
98.59617	1.0
108.02177	100.0
108.04579	3.8
109.02993	24.0
109.04100	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	1073.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
79.44198	0.1
81.03461	0.2
83.01379	0.4
89.02370	0.2
93.03472	0.2
93.05742	0.2
95.97503	0.2
98.20683	0.3
107.01392	1.7
108.02155	0.9
109.02925	0.4
110.79889	0.2
117.03453	0.2
121.02955	0.7
124.01636	0.2
125.02434	0.8
133.02950	2.4
135.00893	0.4
137.02359	0.2
145.02888	0.2
148.01674	0.7
149.02431	0.4
151.00362	4.9
151.01581	0.3
152.01152	0.2
153.01965	0.2
156.67311	0.2
161.02457	0.4
163.00418	1.5
163.04054	0.3
164.01166	0.4
165.01945	0.3
169.01431	0.3
175.03969	0.6
177.01927	0.3
178.98289	0.2
178.99843	3.4
179.03523	0.2
183.04460	0.2
187.03984	0.2
188.04935	0.2
190.99838	0.2
191.03548	0.4
191.05602	1.1
192.05910	0.3
193.01363	0.3
198.03220	0.3
199.04005	0.9
201.01947	0.4
203.03496	0.4
211.03998	0.4
213.05557	0.2
215.03476	0.6
216.04301	0.3
225.05620	0.3
226.02701	1.0
227.03497	2.0
228.04201	0.2
239.03540	0.2
241.04979	0.3
242.02097	0.2
243.02966	7.4
244.03493	0.6
245.04443	0.3
253.05043	0.4
254.02142	1.4
255.02977	18.4
256.03333	0.9
257.04465	0.2
269.04520	0.3
270.05115	0.2
271.02466	41.5
272.02939	2.6
273.04059	0.4
283.02512	0.2
283.06006	0.2
284.03281	1.6
285.04050	2.8
297.04013	4.0
298.04749	3.6
299.01978	2.3
299.05542	3.0
300.02737	81.8
301.03351	9.9
301.06891	0.4
302.03796	0.5
311.05612	1.4
324.02863	0.2
325.03552	0.7
327.05069	10.7
328.05426	0.7
339.05054	1.8
341.06699	0.3
343.04791	0.3
355.04526	0.2
357.06134	9.1
358.06561	0.4
369.06186	0.6
399.07187	0.2
429.08127	0.8
431.09305	0.2
445.07660	0.4
447.09308	17.6
448.09607	0.8
463.08295	0.3
594.15393	0.4
625.14069	100.0
626.14404	8.5
716.85663	0.2
966.37585	0.2
1073.23169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0503
Annotation	o-Cresol
Peak:m/z	Relative Intensity
71.54312	0.8
74.69868	0.6
90.40411	0.6
96.10902	0.6
106.04247	2.0
107.05030	100.0
108.04563	1.9
108.05373	5.1
115.29670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03429	0.2
83.01389	0.8
85.02960	2.8
87.00854	0.5
89.02446	8.0
93.03440	0.6
95.01404	0.9
99.00847	0.2
101.02444	7.6
107.04997	0.2
108.02197	0.2
109.02959	0.2
113.01717	0.3
113.02454	4.5
114.02736	0.2
119.03507	2.8
121.02945	0.4
123.00811	0.2
123.04536	0.3
125.02435	0.3
131.03493	0.3
132.02237	0.1
132.05754	0.2
134.03694	0.3
135.04530	0.3
137.02463	0.2
143.03445	0.3
143.04993	0.3
146.03738	0.2
148.04053	0.2
149.04578	0.3
159.04529	0.9
160.05281	0.6
161.02466	0.2
161.04518	0.3
163.04004	0.4
165.05576	0.2
171.04506	0.9
173.02443	0.3
173.04504	0.4
175.03931	0.2
179.05626	0.8
187.04008	4.9
188.04781	14.5
189.05301	0.7
191.05588	0.6
203.07135	17.6
204.07443	0.6
221.08147	0.2
298.98969	0.2
323.09177	0.3
338.07974	1.0
339.08633	0.5
353.10257	2.9
354.10846	0.2
356.08951	0.4
357.09775	0.5
371.11328	0.8
430.36423	0.2
449.14420	0.3
459.66281	0.2
462.06284	0.2
469.43103	0.1
533.16626	100.0
534.08875	0.3
534.16956	6.8
583.79840	0.2
690.79266	0.2
874.45673	0.2
1068.36621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	1.0
84.02221	0.1
85.02956	1.0
87.00849	0.2
89.02449	1.6
93.03481	0.5
95.01427	0.6
95.01970	0.1
97.02975	0.5
99.00900	0.3
101.02444	2.4
108.02185	1.5
109.02956	0.5
111.00890	0.1
113.02460	1.1
115.61730	0.1
119.03515	0.4
121.02953	3.3
122.03746	1.5
123.00900	0.4
123.04532	0.6
124.01683	0.3
125.02467	1.0
129.01924	0.1
131.03503	0.4
134.03778	0.8
135.04524	0.4
136.01668	62.3
137.02368	1.6
143.03506	0.3
145.02928	0.2
147.04572	0.2
148.05315	0.6
149.04588	0.8
149.06094	0.5
151.04012	78.3
152.04340	1.5
154.02734	0.3
155.03488	0.1
158.03636	0.2
159.04520	0.6
160.05289	1.2
161.02446	0.4
161.04576	1.0
161.05847	0.2
161.61731	0.1
162.03235	0.9
163.04042	1.1
173.06097	0.2
174.03238	0.1
175.04024	0.7
175.07632	1.2
176.04791	0.3
177.01935	0.2
177.05557	1.0
179.03511	0.5
181.05028	0.3
187.04022	0.3
188.04791	0.3
189.05591	0.4
190.06294	0.3
191.05664	0.3
193.05061	0.2
203.05534	0.3
203.07167	0.4
206.05887	0.1
208.03885	0.1
221.06633	0.7
233.06595	0.6
235.07619	0.2
249.77242	0.1
256.07538	0.2
261.05493	0.3
263.07047	0.2
279.06635	0.4
291.06876	0.2
293.08755	2.1
294.09195	0.2
296.10538	0.4
309.11255	0.9
311.12964	0.7
339.12366	1.1
342.11063	4.7
343.11554	0.2
348.51022	0.1
357.13422	100.0
358.13821	4.8
381.13547	0.3
399.14597	0.1
501.17697	0.6
531.18524	0.8
543.18658	3.2
544.18262	0.2
561.19623	1.0
590.23718	0.2
591.23737	0.2
645.24084	0.1
983.48883	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	106.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88859	0.5
64.01921	15.8
65.01450	26.1
65.02251	0.7
65.99841	1.0
69.37170	0.6
71.28934	1.4
79.69960	0.6
84.52872	0.6
91.48344	0.6
105.96072	1.2
106.04111	100.0
107.02506	1.0
107.03646	10.0
107.04453	3.4
110.03874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63615	2.3
56.26287	1.7
57.47717	2.1
64.01939	13.4
65.01463	32.0
65.99869	2.4
71.23064	3.8
97.37481	2.0
105.96014	10.0
106.04116	100.0
107.03644	13.8
107.04413	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	1059.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05018	1.3
81.03423	0.8
83.01351	2.0
85.02953	9.0
87.00857	1.2
89.02451	11.1
93.03435	1.2
94.06604	1.1
95.01388	4.0
99.00843	1.4
101.02447	11.8
106.06639	6.3
107.03770	0.8
108.02178	28.3
108.04525	1.3
109.02969	17.6
110.03270	0.7
111.00811	0.7
113.02450	8.3
119.03504	4.2
119.04964	0.8
120.04536	0.7
120.08194	5.5
121.02907	0.8
122.05356	0.9
122.06131	12.4
123.00861	1.3
123.04467	1.0
123.07362	0.6
125.02444	1.4
130.02985	1.0
130.42505	0.7
131.03526	0.6
132.04497	1.9
134.06128	42.7
135.04474	1.2
135.06479	0.7
136.07629	1.6
137.02393	1.3
144.04590	0.7
146.06102	0.9
148.04033	0.9
148.05267	1.6
148.07651	1.7
150.03198	0.8
150.05533	1.7
151.03960	0.7
152.07184	8.6
157.58479	0.6
158.02420	2.6
159.04532	0.6
160.04008	1.9
161.02480	1.0
161.04625	1.4
162.05592	1.1
163.07616	1.1
164.07114	0.6
167.03464	1.6
172.07693	0.9
174.05582	0.7
176.07120	0.7
179.03534	1.0
190.05077	7.3
191.05574	1.3
192.06665	1.0
211.08632	1.1
213.10271	1.1
215.11807	1.8
221.10762	3.9
223.08746	3.9
224.09436	2.4
225.10342	3.7
227.11874	1.4
233.10716	0.6
234.07840	1.0
235.08708	2.0
236.09470	2.3
237.10371	4.6
238.10936	2.8
239.11882	8.7
241.13452	1.8
243.14999	1.4
247.08815	0.9
249.06639	2.3
249.10364	5.3
250.07317	2.2
250.10889	0.7
251.08261	4.7
251.11923	7.2
252.12283	0.7
253.09818	0.8
253.13362	2.0
260.09464	0.8
261.10275	3.8
262.07553	1.4
263.08228	5.4
263.11868	1.8
264.09003	5.8
265.09805	21.1
265.12909	0.9
267.11249	1.8
269.13004	1.3
271.10736	2.8
275.08340	1.2
276.09061	3.1
277.07034	0.5
277.09790	13.5
278.10440	2.6
279.08456	0.9
279.11374	10.6
280.11911	1.9
281.09366	1.1
281.12631	1.1
283.10812	2.1
285.12360	2.6
287.14029	3.7
289.09958	0.8
290.06924	1.9
290.10233	1.1
291.08051	1.2
291.11340	6.0
292.08600	1.1
292.11917	1.6
293.09634	0.8
293.13031	1.7
295.10822	1.7
295.14093	0.7
296.11411	1.1
301.10068	0.6
303.07852	0.8
303.11316	0.8
304.08389	1.0
305.09348	15.5
306.09656	1.1
307.07697	0.7
307.10828	3.7
309.08926	1.5
309.12253	1.0
314.12482	2.6
317.09180	2.6
318.10065	1.0
318.16071	1.3
323.10281	2.2
325.11926	1.3
326.12692	0.9
327.13910	0.8
329.06851	0.7
335.10321	0.8
337.11935	7.4
338.12515	0.8
342.12466	1.2
342.16071	4.2
343.12885	0.9
343.16760	1.5
344.13986	1.0
346.15585	1.3
354.12250	0.7
355.13016	1.1
356.13980	2.3
357.14676	0.9
358.15451	2.7
358.19373	1.0
360.17047	2.1
368.13873	1.7
369.14816	1.3
370.11493	1.0
370.15598	3.6
371.16251	1.2
372.17169	3.0
374.14938	1.5
380.14072	0.8
382.11816	1.2
382.15936	1.3
384.17230	3.5
385.18103	1.0
386.14676	9.1
386.18887	3.0
387.15466	0.9
396.13089	1.4
396.17691	0.8
397.14120	1.4
398.15067	2.8
400.16418	1.3
402.18048	1.5
410.14905	2.9
411.15942	1.4
412.16776	3.1
414.18063	1.4
424.16486	1.8
425.17093	0.8
426.18066	2.3
428.16028	4.1
430.17819	4.6
440.16006	1.6
442.17407	1.0
444.19434	1.1
446.17288	1.2
448.18649	0.7
452.16101	4.1
453.16696	1.9
454.17651	1.2
470.17334	1.4
471.18024	1.4
472.18768	2.2
487.16675	1.0
490.19919	1.2
491.20645	1.0
493.22379	1.3
517.18158	4.8
534.22815	0.7
547.23785	0.9
564.23004	0.7
565.24084	0.8
566.25262	1.2
575.22931	3.0
578.21155	0.9
590.21039	1.0
592.23065	2.8
593.23480	1.6
604.22998	1.8
610.24084	3.8
632.22589	7.0
633.23425	3.9
634.23938	1.1
650.23199	1.3
652.25421	0.9
664.25134	10.4
665.25446	1.1
682.25525	0.7
683.25079	0.9
687.30188	1.3
713.28149	4.7
724.25562	1.2
727.29718	1.4
733.30817	0.9
755.29346	100.0
756.29510	13.6
773.30457	8.6
787.31934	26.3
788.31793	3.9
805.33063	5.0
847.32697	1.0
862.30670	1.4
863.31110	4.6
864.32001	5.3
904.31317	10.3
905.31720	1.8
923.33069	0.9
924.33844	0.8
936.34033	16.5
937.35339	3.0
949.37103	1.6
959.39215	2.4
985.37537	7.7
986.37848	5.2
996.28430	0.9
1027.16370	1.1
1027.38281	42.3
1028.38562	6.2
1059.40930	99.0
1060.41199	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	1055.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02947	5.5
77.03991	1.2
78.66957	0.4
79.01902	1.2
83.01398	3.3
85.02951	8.6
86.00093	0.5
87.00877	1.3
89.02431	1.6
93.03460	2.5
95.01413	1.5
97.02948	0.8
99.00867	2.4
101.02449	12.2
105.03463	1.2
111.00864	1.0
112.01665	0.6
113.02445	8.6
117.03469	7.4
119.03494	0.6
119.05067	0.7
121.02936	2.2
125.02439	1.8
126.72882	0.4
129.01971	0.5
131.61862	0.4
133.12491	0.4
135.04507	1.9
143.03491	1.2
145.02963	0.6
147.04523	0.5
149.02440	1.6
159.03026	1.3
159.04506	1.8
161.02484	3.2
161.04533	3.4
161.05756	0.5
163.04007	4.2
165.01962	0.7
173.02423	0.7
179.03526	0.6
191.03471	1.5
191.05618	0.8
193.01445	0.6
196.05380	0.4
197.06044	1.1
203.03508	1.0
211.07565	0.8
213.05583	0.4
215.07094	0.8
224.04773	0.9
225.05423	0.6
235.42050	0.4
237.05368	0.8
239.07144	1.4
240.04442	0.5
268.03775	2.6
269.04535	2.6
281.04553	2.5
282.05353	1.4
283.06116	51.8
284.06326	2.3
293.04617	1.6
295.06195	1.2
309.04211	0.7
311.05594	75.4
312.06036	3.1
314.04123	0.6
323.05630	3.3
341.06662	6.1
342.07193	0.5
357.22849	1.1
368.47964	0.4
373.57654	0.4
375.23895	2.3
401.85690	0.4
431.09805	68.9
432.10092	3.8
467.53873	0.5
482.83560	0.4
519.28082	100.0
520.28497	7.4
537.29169	37.2
538.29224	3.3
579.30170	63.4
580.30585	4.6
613.00903	0.4
680.14063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02929	2.0
80.05028	1.5
83.01389	2.3
85.02943	6.8
87.00863	1.0
89.02449	5.8
95.01389	3.6
99.00890	1.2
101.02436	7.9
106.06622	5.4
107.05122	1.0
108.02174	19.5
109.02244	1.2
109.02957	20.1
113.02425	5.2
116.91856	0.9
119.03510	1.2
119.32654	1.0
122.06104	4.3
123.00858	1.3
125.02374	1.3
132.04565	2.3
134.06120	33.5
137.02422	1.3
152.07228	4.7
158.02275	1.2
160.06454	1.5
161.04613	1.3
176.69678	0.9
179.03543	1.2
190.05087	4.8
192.06503	1.2
213.10371	11.1
223.08694	1.8
225.10307	3.0
226.11060	1.4
235.08803	1.4
239.11816	3.7
241.13385	4.7
241.86644	1.1
251.08072	1.3
251.11920	5.9
261.10025	0.9
263.08237	1.3
265.09790	2.9
267.11304	6.3
277.09769	2.7
278.10678	1.6
279.11356	1.6
285.12451	23.1
291.07690	1.6
293.13046	2.0
305.09253	2.5
307.10822	1.3
309.09009	1.5
309.12604	1.4
314.12537	1.5
316.14499	2.5
327.13556	1.9
328.10800	3.1
328.14355	1.3
337.11859	3.7
340.10843	1.6
340.14551	7.9
341.11539	1.3
341.15289	1.6
342.12668	1.8
343.12939	1.8
344.14044	5.2
354.12518	1.8
355.13272	1.3
356.14005	5.0
357.14651	1.9
358.15558	5.2
366.12363	1.3
367.13486	1.1
368.10330	6.2
368.14291	1.5
370.15445	3.4
382.11569	1.5
382.15900	1.7
384.13528	20.9
385.13403	3.2
394.11740	1.2
396.13577	5.5
397.14316	2.9
398.14984	9.4
400.16690	3.4
410.15063	4.8
412.16718	4.6
426.14752	4.5
438.14508	2.7
444.15521	1.3
445.16611	1.5
474.17044	1.1
475.17682	2.0
489.19485	2.1
490.13171	1.1
490.20227	1.6
491.21204	4.5
505.22955	1.7
517.18256	10.3
523.23895	1.2
531.20270	2.1
539.20331	9.2
545.22180	2.0
547.23315	1.4
573.21460	3.3
591.22864	2.5
711.26593	4.5
713.28760	1.1
725.28613	2.2
731.29272	2.1
735.26495	1.5
753.27667	94.5
754.27875	10.1
771.28229	4.9
785.30554	12.9
786.30011	1.2
803.30927	3.4
983.35358	9.2
983.53656	1.6
984.36322	9.2
1025.36719	35.0
1026.37512	5.6
1057.39331	100.0
1058.39673	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	105.0193
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
57.12446	0.8
59.01379	17.4
70.31544	0.7
70.56540	2.1
72.99309	67.4
74.02487	1.0
75.00868	19.6
75.02816	1.5
76.30948	0.8
96.36038	0.9
103.00360	1.1
105.01933	100.0
106.02278	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	1051.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	0.9
73.02941	8.9
75.00890	0.5
81.03463	0.6
83.01387	4.8
84.02182	1.1
85.02946	14.6
86.00067	0.4
87.00876	2.9
87.04508	3.1
89.02441	13.4
93.03465	0.8
95.01380	3.4
97.02959	1.4
99.00874	3.4
101.02437	27.4
101.06079	6.8
102.02761	0.6
108.02177	1.5
109.02940	0.7
111.00925	0.7
112.01685	0.5
113.02449	18.2
114.02792	0.5
119.03502	5.3
121.02995	1.2
125.02447	2.8
129.01978	0.9
131.03487	0.6
134.03680	0.4
136.01640	0.8
137.02409	0.8
143.03490	2.4
147.04599	0.5
149.04584	1.0
159.02992	1.7
161.04550	7.2
161.05933	0.7
162.87090	0.4
165.01865	0.6
165.38934	0.4
170.96429	0.4
179.05630	1.6
185.15468	0.6
189.05492	0.5
191.05544	0.7
235.09810	0.6
255.19630	3.4
255.86705	0.5
297.20694	2.7
351.21768	1.5
355.11877	0.5
356.12692	0.9
371.15024	0.5
381.22620	0.7
385.12933	12.0
386.13373	0.6
399.23843	100.0
400.24210	7.0
417.24918	66.8
418.25278	3.4
427.14160	0.5
459.25970	73.2
460.26361	5.6
506.54504	0.4
725.90094	0.6
742.56793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02938	0.3
77.03974	0.5
81.03458	0.3
84.02162	5.0
85.02950	0.4
89.03960	1.1
93.03461	2.0
95.01382	0.5
95.05019	1.0
96.96022	0.3
97.02982	0.5
97.06588	1.0
98.65877	0.2
101.35664	0.2
103.05566	0.2
105.03455	4.1
106.04290	0.3
107.04990	0.4
108.02171	8.5
109.02960	1.8
111.00893	0.4
111.04459	0.2
117.03468	2.5
117.07164	0.2
119.05035	0.9
121.02956	7.1
122.03744	0.9
123.00847	0.4
123.04534	1.2
124.01649	0.4
125.02425	0.5
130.04277	0.3
130.83792	0.2
131.03502	0.6
131.05038	0.7
133.02956	15.4
134.03738	27.7
135.04538	10.3
136.00600	0.4
136.01654	5.2
136.05336	0.3
137.02441	6.7
139.04021	1.0
143.04996	0.4
145.02937	1.2
145.06577	0.4
146.03717	0.3
147.04514	2.1
147.08160	0.7
148.05290	0.6
149.02420	1.9
149.04550	0.9
149.06093	0.5
150.03223	2.0
151.03986	0.5
158.03751	0.4
159.04466	1.2
160.01588	0.4
160.05370	0.3
161.02435	4.3
161.06053	1.9
162.03224	12.6
162.06866	2.3
163.04016	1.9
163.07605	1.4
164.04773	0.4
165.01907	2.6
171.04588	0.3
172.05290	0.5
173.04630	0.5
173.06087	1.3
174.03197	0.6
175.03986	4.1
176.04794	1.3
177.01930	5.7
177.05592	0.5
178.02705	6.1
179.03432	1.2
179.07178	0.3
182.02216	0.5
187.03995	0.9
187.07680	1.2
188.04848	0.4
189.05540	1.8
190.06349	4.4
191.03493	2.0
191.05583	1.8
191.07159	2.3
192.04037	0.2
193.05032	0.7
195.06631	0.2
201.05524	0.6
202.06425	0.9
203.03532	0.4
203.10806	0.8
204.04257	1.9
205.05008	0.6
205.08694	1.6
213.09209	0.4
216.04286	0.3
217.08640	0.3
219.06616	3.6
220.07324	1.7
231.10248	21.9
232.10562	0.8
234.05351	0.5
235.09784	2.3
247.09779	0.3
256.13254	0.2
257.82852	0.2
275.09241	72.1
276.09570	3.2
279.06787	0.3
281.08276	0.2
282.08954	0.3
284.10529	0.6
294.09003	0.5
296.10477	0.3
297.11084	0.3
298.12094	0.5
299.12781	1.2
309.07510	0.4
309.11130	0.3
310.06934	0.6
312.10071	0.3
324.10120	0.4
327.12357	2.8
339.12460	0.4
342.10968	0.3
355.11954	2.6
356.12604	5.5
357.13339	1.2
367.11609	0.4
381.55649	0.2
385.12906	100.0
386.13217	6.1
407.13419	10.7
408.13693	0.9
415.15186	0.2
450.14771	0.3
499.61032	0.2
1041.41003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	0.5
89.68780	0.2
91.01926	0.3
107.01406	1.8
108.02193	0.8
109.02932	0.9
110.31057	0.2
121.02966	1.1
124.01641	0.2
135.00880	0.6
145.06525	0.2
148.01698	0.8
149.02547	0.2
151.00369	7.5
161.02486	0.2
163.00391	1.6
164.01120	0.3
169.01404	0.3
178.99860	3.5
183.04468	0.4
187.03983	0.4
190.99896	0.4
199.04083	0.3
203.03499	0.3
211.03984	0.6
215.03471	0.3
216.04182	0.3
226.02782	1.0
227.03526	1.3
229.01695	0.2
229.04944	0.4
239.03494	0.3
243.02985	6.0
244.03555	0.4
245.04517	0.7
254.02145	1.2
255.02983	14.6
256.03439	0.7
271.02478	33.3
272.02945	2.2
273.04053	0.6
283.02448	0.9
283.05991	0.5
299.01974	0.9
300.02747	68.4
301.03485	27.5
302.03897	1.2
311.05814	0.3
343.04657	0.4
402.19882	0.2
431.09824	0.3
447.09363	2.5
609.14594	100.0
610.14893	7.6
732.69189	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01396	4.3
85.02952	0.5
87.66511	0.4
93.03443	1.7
95.01373	1.2
101.02424	0.4
105.47260	0.4
107.01392	12.0
111.00865	0.8
117.03476	3.9
124.01656	4.7
125.02451	3.1
135.00897	0.6
137.02448	0.5
139.00349	0.8
145.48814	0.3
149.02396	1.0
151.00365	39.5
152.01163	11.2
153.01869	1.7
154.15186	0.4
159.04515	0.7
161.02458	0.8
163.00334	2.1
165.01868	0.4
169.01419	3.9
178.99852	41.9
180.00204	0.7
180.86488	0.4
181.01256	0.5
182.03711	0.5
183.04504	0.7
185.02328	0.4
185.06038	0.6
187.04071	0.6
190.99844	1.4
191.05557	0.7
192.00682	2.6
193.01408	5.8
195.04460	0.5
196.05338	0.5
197.06004	1.0
199.03922	0.6
199.07692	0.4
206.99313	0.5
211.03993	1.5
212.04695	0.6
213.05479	0.8
215.03419	0.5
223.04079	0.5
225.05487	1.3
226.02660	1.2
227.03479	3.0
228.04150	1.2
229.04976	0.8
235.03999	0.5
237.05605	0.7
237.15216	0.3
239.03484	3.2
240.04256	2.9
241.05063	9.0
242.05746	1.6
243.02835	0.6
243.06606	0.7
249.99741	0.4
251.03479	1.7
252.04315	0.8
253.01320	1.2
253.05110	1.8
254.02217	1.5
254.05722	0.4
255.02975	3.9
255.06708	0.7
256.03732	0.7
257.04523	1.0
265.04944	2.0
266.02200	0.5
267.02997	6.5
267.06454	0.8
268.03714	4.5
269.01581	0.5
269.04535	10.0
270.01715	0.6
270.04999	0.5
271.02454	2.4
271.06027	1.2
272.03238	1.0
279.02988	1.4
280.03772	0.9
281.04523	4.3
282.05270	0.7
283.02524	1.9
283.06107	2.8
284.03247	0.6
285.03943	0.9
291.03024	1.0
291.06332	0.4
292.03653	0.6
293.04599	2.3
294.01569	0.4
295.02460	2.6
295.06064	1.0
296.03333	1.3
297.04001	3.9
298.04764	0.7
299.02225	0.8
299.05624	2.0
300.02722	1.8
301.03360	0.9
305.04434	0.6
307.02548	0.5
307.05896	0.5
308.03198	1.3
309.04074	5.2
310.04681	1.3
311.05548	2.9
317.04413	0.5
319.05957	0.7
320.03159	0.4
321.03894	1.2
323.01913	0.8
323.05576	1.0
325.03528	0.9
327.05035	0.8
331.06033	0.7
333.03909	0.7
335.01880	0.7
335.05551	1.5
336.02838	0.5
337.03549	2.2
337.06851	0.4
338.04178	0.8
339.05130	1.0
345.07803	0.5
347.05597	0.6
351.05084	0.9
359.05560	0.7
361.03531	0.6
363.05026	1.5
365.03040	1.0
369.07452	0.6
372.06375	1.0
373.03284	0.5
373.07379	0.7
374.04169	0.5
375.04608	0.8
377.06769	0.8
379.04410	0.4
381.05960	0.5
385.07364	1.7
386.08118	0.8
387.08990	2.8
388.02173	0.6
389.02716	0.8
389.06992	0.6
391.04379	0.7
392.05270	0.6
393.06570	0.5
400.05759	0.5
401.06638	1.5
402.03314	0.5
403.04358	2.5
405.06110	0.7
407.03894	2.9
413.06500	1.2
415.08426	4.8
417.06198	1.0
419.03806	1.5
419.08511	0.5
420.04825	1.5
421.05521	1.1
427.08081	0.7
429.06299	5.6
430.07040	1.0
431.02957	5.4
431.08267	2.7
433.07028	0.8
435.03320	1.7
441.06064	0.7
443.03760	0.6
445.05090	0.7
449.04941	7.0
450.05191	0.6
457.05252	0.5
458.06711	0.5
459.07327	3.0
461.05017	2.4
461.09619	1.1
473.05106	1.7
479.06161	1.9
489.07977	0.5
491.06345	0.5
503.06033	0.5
505.10025	0.5
549.10107	0.7
593.07867	1.8
593.15295	0.5
594.15497	0.5
611.08124	4.1
623.08429	1.0
641.09509	1.5
681.52740	0.4
713.11664	1.4
731.12213	3.1
757.16083	0.5
919.19287	12.6
920.20068	1.5
949.20386	2.5
1021.22784	0.9
1039.23560	100.0
1040.23975	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	1037.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
84.02137	0.1
93.03458	0.1
95.01392	0.1
95.05015	0.2
97.06581	0.2
99.92572	0.5
105.33748	0.1
109.02952	0.6
111.08149	0.5
113.09727	0.3
116.92861	1.8
121.02943	0.5
123.04531	0.3
125.02421	0.1
135.04547	0.2
136.01686	0.2
137.02472	0.7
141.09071	0.1
144.78052	0.1
155.10872	0.1
159.04550	0.3
167.10745	0.4
175.03918	0.3
176.04767	1.0
177.12837	0.3
179.10724	0.1
179.14436	0.9
181.12332	0.2
187.03979	0.2
195.13889	7.6
196.14569	0.5
205.12387	0.7
205.15898	0.4
211.13387	0.5
223.13383	5.6
224.13947	0.4
228.13606	1.0
231.21118	0.4
239.12785	0.1
253.08603	0.1
256.13196	1.9
257.19577	0.1
265.21722	0.5
275.20142	4.5
276.20480	0.3
293.21216	100.0
294.21555	4.7
294.24170	0.1
311.09140	0.1
341.10291	2.8
343.11896	1.1
356.09052	0.1
371.11316	5.8
372.11780	0.3
373.12827	0.2
582.31818	0.1
641.25836	0.1
685.22577	0.2
695.21210	0.3
713.22363	1.2
714.22101	0.1
908.60889	0.1
999.50568	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	1011.299
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01353	0.2
84.19263	0.2
85.02915	0.6
93.03432	0.3
101.02419	0.3
106.98421	0.2
108.02175	0.2
109.02928	0.2
110.00089	0.8
111.00833	0.5
111.42739	0.2
122.03697	0.2
123.04521	0.5
135.04489	0.3
136.01646	0.3
136.06601	0.2
136.98735	0.6
137.02403	0.3
137.99573	0.6
139.00389	2.5
139.03978	0.7
144.20183	0.2
145.15935	0.2
147.00909	0.2
149.02443	4.1
149.99554	0.7
153.01918	0.5
159.04468	0.4
160.01596	0.2
161.02435	0.3
164.96964	0.3
164.98300	6.5
165.99080	2.6
167.03467	0.6
171.04446	0.6
173.00903	0.2
173.04404	0.2
175.00391	1.4
175.03967	0.6
177.99031	0.9
178.99873	0.4
179.03426	0.2
180.00679	0.4
181.01372	0.2
182.02249	0.2
187.03979	0.6
189.01924	0.4
191.05598	0.7
193.04970	0.3
193.98520	0.7
197.04591	0.3
199.03993	1.3
201.01869	0.5
203.03423	0.3
205.98662	1.0
215.03542	1.7
217.01401	0.3
219.02950	0.4
225.01854	0.3
227.03441	0.5
231.02960	0.9
241.01352	0.4
242.02379	0.3
243.03000	3.0
245.00874	0.4
259.02563	1.4
270.01678	0.5
271.02411	1.5
274.35925	0.2
286.01147	0.3
287.01984	7.3
287.05243	0.4
288.02377	0.3
299.02072	0.2
301.03580	0.5
315.01477	39.6
316.01767	1.9
329.03085	0.7
330.03815	57.3
331.04135	2.4
345.06168	100.0
346.06509	4.6
438.97482	0.3
461.06714	0.2
505.13837	0.5
549.12732	0.8
967.72583	0.3
1011.34973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	0.2
71.54427	0.2
83.01402	0.5
85.02954	2.4
93.03458	0.4
107.01408	0.7
108.02259	0.2
109.02985	0.8
110.00084	1.6
111.00905	0.5
116.47160	0.2
117.03547	0.2
121.02953	0.6
123.04548	1.7
125.02433	0.3
129.01924	0.5
132.02211	0.2
133.02959	2.3
134.03749	0.4
135.00883	0.3
136.98816	0.8
137.02397	0.2
137.99641	0.5
143.05035	0.4
145.02969	0.3
147.03026	0.3
148.01678	0.3
149.02495	0.3
149.99516	0.2
151.00386	3.2
155.05042	0.5
161.02475	0.3
163.00368	0.6
164.98303	3.1
165.99083	5.7
166.99651	0.2
171.04524	0.6
173.00914	0.2
173.02368	0.3
175.04045	0.3
177.99113	0.7
178.99883	1.9
181.01422	0.2
183.04517	0.9
187.03966	0.4
189.05501	0.2
191.01927	0.2
193.05168	0.5
199.04071	1.1
201.01949	0.4
203.03563	0.3
205.03432	0.2
211.03992	0.7
215.03511	5.8
225.01801	0.2
226.02695	0.7
227.03508	3.1
228.03938	0.2
229.01453	0.6
229.04979	0.3
231.03149	0.3
243.02992	5.3
244.03560	0.2
245.04536	0.6
254.02130	0.5
255.02983	11.4
256.03445	0.6
271.02475	33.5
272.03061	2.7
273.03970	0.2
283.02493	0.5
287.05609	0.2
299.01962	58.8
300.02716	31.1
301.03488	11.7
302.03879	0.5
313.03476	0.5
314.04321	32.1
315.05005	6.2
316.05402	0.3
367.06607	0.4
368.06940	0.3
447.09351	18.7
448.09628	1.6
454.75711	0.2
477.10416	0.9
478.11218	0.2
504.09158	0.6
519.11432	100.0
520.11774	8.0
520.19611	0.2
743.10706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	1.8
71.01730	0.2
72.99317	0.5
73.02956	0.6
83.01388	4.6
84.02163	2.0
85.02951	100.0
86.03277	1.2
87.00877	0.8
89.03976	0.5
93.03458	0.6
101.02441	0.5
103.00378	0.3
105.03442	0.3
107.01373	0.6
108.02187	0.4
109.02925	0.4
111.00883	11.7
115.00405	0.3
117.03453	1.8
119.05003	0.2
121.02953	0.7
123.04535	0.4
125.02441	0.5
129.01945	26.7
130.02287	0.4
132.02211	1.0
133.02968	2.1
134.03743	25.4
135.04477	0.9
135.05421	0.2
137.02470	1.1
139.03967	0.4
143.97124	0.2
145.01416	0.4
147.02998	10.7
148.01649	0.2
148.05284	0.2
149.02451	0.2
149.06076	3.5
151.00374	2.0
151.10515	0.2
159.04576	0.3
160.01654	6.0
161.02365	0.8
162.03207	0.5
163.00313	0.4
163.04001	0.3
173.00909	17.7
174.01161	0.3
175.04002	8.0
175.05531	0.4
176.04628	0.6
177.01903	1.0
178.02713	2.2
178.99866	1.0
179.03557	0.2
189.05405	0.2
191.00240	0.4
191.01987	7.3
191.05560	1.0
191.07104	0.3
193.05046	26.7
194.02129	0.2
194.05408	0.7
196.06934	0.2
201.05429	0.2
202.06381	0.4
207.06577	0.4
209.02998	0.7
211.03920	0.4
212.53537	0.2
217.08748	0.3
218.05829	0.7
226.02954	0.2
227.03519	0.6
228.04224	0.2
229.42348	0.2
233.08228	0.7
243.02966	0.9
245.04570	0.4
248.80959	0.2
255.02980	3.3
261.07663	5.4
262.07794	0.2
271.02493	7.0
272.03061	0.5
273.03799	0.2
283.02600	0.4
284.03268	0.3
300.02750	12.0
301.03488	8.8
302.03848	0.4
305.06592	0.4
323.07718	10.2
324.07938	0.2
349.05789	0.5
351.07135	0.7
367.06674	36.3
368.07016	1.7
385.07779	6.5
399.09207	0.3
447.09323	18.4
448.09888	1.1
489.10449	0.7
561.12225	4.2
562.12598	0.4
691.38068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	0.8
73.02940	0.6
80.02686	0.5
81.03459	7.7
83.01382	9.9
83.21798	0.3
85.02976	1.2
91.05540	0.3
93.02930	0.4
93.03452	2.7
95.01397	1.2
95.04424	0.5
95.05026	9.3
95.05620	0.6
96.96022	0.3
97.02951	3.1
98.20648	1.0
99.04529	3.2
101.02451	0.9
105.03487	0.3
107.01373	0.4
107.05047	1.6
107.05676	0.3
108.02149	0.5
109.02940	3.0
109.06606	0.5
111.00883	0.7
111.03818	0.3
111.04532	1.4
113.02441	1.0
117.03448	0.4
119.05049	0.8
121.02973	1.3
121.06588	0.6
122.03735	1.1
123.00916	0.6
123.04528	20.8
125.02451	17.2
126.02753	0.5
133.02962	0.4
133.06557	0.3
134.03769	0.6
135.00922	0.5
135.04544	3.0
137.02452	14.3
137.06087	12.9
138.03009	0.2
139.04007	7.1
141.05569	1.2
146.03764	0.2
147.04546	0.7
149.02473	2.0
149.06104	2.1
150.03232	1.0
151.00380	1.2
151.04004	5.5
153.05573	1.2
155.03484	1.7
159.04517	0.4
161.02444	0.7
161.06134	0.5
162.03139	0.4
163.00368	3.4
163.04024	1.4
164.04817	1.4
165.01917	2.1
165.05562	5.3
166.02782	0.5
167.03496	63.2
168.03853	1.3
173.06076	0.3
175.03993	0.9
177.01935	1.7
177.05536	3.2
179.03502	55.1
180.03964	1.7
181.05083	3.6
189.05598	0.6
191.03499	4.6
191.05185	0.4
192.04199	0.5
193.05048	13.8
194.05588	0.8
195.06662	1.2
197.04594	3.2
203.03421	0.4
205.01442	0.7
205.05045	0.7
206.02184	1.0
207.02928	0.8
207.06616	0.8
208.03792	0.3
209.04550	100.0
210.04922	2.9
219.03003	0.4
221.04552	58.9
222.04918	1.8
223.06255	0.7
225.07520	0.4
233.04446	1.3
235.06131	1.1
239.05606	39.9
240.05905	1.4
251.05602	43.3
252.05934	1.5
262.51398	0.3
263.05569	2.1
265.07144	0.4
267.08737	0.3
269.06714	0.7
275.05716	0.5
281.06659	16.6
282.06973	0.6
293.06674	2.0
305.06604	0.5
311.07745	6.7
323.07617	3.0
329.08774	35.7
330.09125	1.1
341.08752	33.1
342.09070	1.4
353.08698	1.9
371.09790	9.5
372.10117	0.4
383.09775	1.0
389.08762	14.4
390.09024	0.5
401.11118	0.7
419.09903	1.5
431.09692	2.8
450.15274	0.3
461.10913	0.5
473.12827	0.7
491.14005	12.6
492.14172	0.5
493.58737	0.3
496.45248	0.3
509.12997	60.6
510.13342	3.9
533.12836	0.8
539.13715	0.4
551.14087	18.6
552.14569	1.0
581.14948	0.5
653.17554	1.5
659.18256	7.5
660.18683	0.8
671.18311	25.2
672.18726	1.9
1001.27405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.606
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	6.9
69.07077	19.5
69.28217	1.6
69.28632	3.1
69.56554	0.6
71.05009	3.6
71.08630	0.9
73.02923	2.1
77.03933	1.5
77.79082	0.5
79.05502	57.9
81.03430	9.5
81.07065	72.5
83.04996	8.2
83.08624	12.5
85.02908	9.9
85.06546	3.6
91.03977	3.9
91.05488	46.6
91.05928	0.7
91.06087	0.8
93.07053	61.1
94.07394	0.6
95.04982	9.3
95.08615	49.8
97.02901	6.9
97.06540	8.7
97.10179	8.0
98.03542	0.6
99.04462	1.3
99.08092	2.0
103.03989	0.7
103.05456	1.8
105.04539	3.1
105.07041	36.7
107.04958	4.6
107.08605	41.7
109.02896	1.4
109.06549	4.5
109.10165	27.3
111.04444	1.9
111.08082	3.4
111.11656	0.8
113.05989	0.5
113.09650	0.9
115.05459	2.3
117.07030	15.6
119.08595	24.5
121.06535	2.8
121.10152	25.0
123.08066	2.8
123.11720	6.0
125.09650	5.2
127.03934	4.1
128.06236	1.5
129.05479	2.1
129.06999	5.2
131.08583	24.6
133.06473	1.4
133.10143	18.6
135.08099	3.7
135.10681	1.3
135.11696	15.7
137.09659	4.3
137.13240	1.9
139.11212	1.4
141.06981	1.5
142.07758	0.8
143.08606	5.4
145.04945	2.4
145.06581	0.8
145.10141	16.6
146.62036	0.6
147.08069	1.5
147.11696	12.5
149.09621	7.2
149.13281	9.5
151.11183	2.0
155.08557	2.4
155.10672	1.3
157.10144	4.8
159.07973	0.9
159.11699	14.3
161.09668	1.2
161.13275	5.5
163.06010	2.1
163.11188	4.5
163.14816	2.6
165.12756	1.7
169.10126	2.4
171.10298	1.1
171.11664	4.7
173.04509	2.7
173.09694	1.1
173.11771	3.4
173.13284	8.4
175.11211	0.6
175.14809	2.8
177.12793	2.1
177.16383	1.1
179.14330	1.7
181.10139	0.9
181.12332	0.7
183.11676	2.7
185.13278	4.6
187.11169	1.1
187.14842	1.9
189.11258	4.0
189.12692	1.2
189.16318	1.0
195.11816	0.8
195.13837	2.0
197.13261	2.6
199.14804	2.3
201.12759	0.9
201.16443	1.6
203.14374	1.1
211.14824	1.0
213.14722	0.9
213.16539	0.8
215.14372	0.6
215.18011	1.1
217.15872	2.8
219.17548	1.5
227.12785	8.6
229.14354	14.2
229.19502	1.3
231.17444	0.9
233.15355	0.8
235.16888	0.9
239.18048	3.2
241.19730	0.8
243.21140	3.5
245.14079	0.9
247.20567	1.5
255.15999	2.5
257.18988	6.3
259.20599	3.2
261.22180	11.9
267.15891	1.9
269.17508	11.8
275.16962	1.1
275.20078	24.0
277.21698	1.3
283.19330	0.7
291.19513	1.9
293.21201	2.6
309.20605	5.4
317.24854	2.7
325.25241	0.8
331.22729	4.0
333.24402	2.7
335.25830	100.0
336.26181	2.2
349.23761	27.2
351.25555	1.6
359.25906	0.6
367.25024	2.9
373.18628	0.9
413.21780	1.5
437.33948	1.5
489.35757	13.6
505.35248	1.7
507.36780	1.8
511.38000	1.4
515.37433	10.4
517.40149	1.2
529.38959	46.6
530.39313	1.3
535.41266	0.7
543.40649	2.2
545.38159	0.9
555.40326	0.9
569.42096	20.4
609.45203	49.5
610.45258	1.1
627.46228	13.7
637.40576	0.7
649.39587	0.7
673.42749	2.4
747.09259	0.7
753.48938	1.1
771.49908	2.1
851.74933	0.6
986.55847	1.2
987.56720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6055
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	6.0
69.06733	2.0
69.07079	25.3
69.21275	10.7
71.04982	4.2
73.02914	3.0
73.58373	0.9
77.03918	2.2
79.05499	66.2
81.03423	6.4
81.07063	75.3
82.94249	1.2
83.05000	6.5
83.05403	1.0
83.08618	14.9
85.02914	11.8
85.06559	2.7
89.97241	1.0
91.03954	3.8
91.04901	1.6
91.05490	49.6
93.07053	66.9
95.04993	10.8
95.08615	52.8
96.30653	1.1
97.02910	8.9
97.06544	13.2
97.10181	14.1
99.04514	1.5
99.08094	2.2
103.05437	1.7
105.04535	2.5
105.07043	51.9
107.04980	7.9
107.08606	53.1
109.02953	2.4
109.06527	7.6
109.10165	27.0
111.04520	1.5
111.08079	4.4
113.09657	1.1
115.05436	1.6
116.06237	1.7
117.07019	18.4
119.08589	32.3
121.06503	3.3
121.09332	1.8
121.10153	27.1
123.04428	1.3
123.08067	4.3
123.11714	8.7
125.09646	13.1
127.03917	4.7
128.06273	1.7
129.05516	1.7
129.07021	6.1
130.07773	2.3
131.08575	22.5
133.06540	1.5
133.10146	30.0
135.04396	1.2
135.08089	5.5
135.11705	17.1
137.09654	2.6
141.07025	1.8
143.08572	4.1
145.04930	3.2
145.06546	1.1
145.10147	21.3
147.08078	1.5
147.11707	20.9
149.09634	11.5
149.13283	8.7
151.11197	3.5
155.08571	3.1
157.10147	5.8
159.11693	14.3
161.09589	1.6
161.13269	9.6
163.06044	1.7
163.11197	8.2
163.14796	3.5
164.37154	1.1
165.12798	3.1
168.09438	1.2
169.10164	3.6
171.10188	2.3
171.11717	5.6
173.09619	1.3
173.11827	1.7
173.13208	10.3
175.11235	2.2
175.14825	4.3
177.12712	2.2
179.14340	2.7
183.11668	4.4
185.13274	6.1
187.11249	1.8
187.14828	3.9
189.11250	5.0
189.12744	1.2
189.16423	1.4
193.12221	1.4
195.11839	1.2
197.13264	3.9
199.14807	2.6
201.16405	1.6
203.14410	1.3
205.12294	1.7
205.15979	1.2
209.15419	1.1
211.14885	1.3
213.16528	1.7
215.17978	1.7
219.17493	3.5
225.16432	1.4
227.12804	20.6
229.14218	5.9
229.19534	1.7
239.17958	3.2
243.21078	3.0
247.20575	2.7
255.15916	2.9
257.18997	9.6
259.20615	4.4
261.22156	11.1
267.15784	4.9
269.17471	9.2
275.20090	52.7
277.21741	1.2
285.17612	1.1
293.21167	4.1
313.21619	1.8
317.24814	3.4
326.17670	1.2
331.22723	4.2
333.24185	4.0
335.25830	90.7
349.23755	56.3
367.24670	3.2
431.31564	1.2
489.36127	7.1
505.35175	4.5
513.39636	1.8
515.37396	5.3
517.40106	2.6
529.38995	15.3
535.41187	1.4
555.39642	1.7
569.41943	5.4
591.44220	1.8
609.45190	100.0
610.45184	3.0
627.46088	19.0
771.50543	2.1
986.57568	1.4
987.57336	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.6163
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	12.3
69.07074	39.7
69.40778	6.7
69.41204	8.8
71.05014	11.7
71.08637	20.6
73.02913	5.4
79.05501	41.0
81.03419	20.5
81.07067	52.3
83.04989	11.5
83.08623	14.2
85.02907	11.1
85.06561	2.9
85.10191	14.3
91.03947	5.0
91.05491	32.1
93.07052	34.3
95.04959	13.3
95.08614	32.8
97.02905	14.0
97.06540	63.1
97.10168	6.2
99.04453	2.6
99.08111	4.3
105.07039	22.0
107.04965	7.6
107.08611	17.5
109.02890	4.2
109.06515	16.8
109.10162	16.2
111.08092	9.5
115.05460	2.7
115.07578	19.0
116.07113	5.8
117.07032	12.8
119.08594	14.4
121.06475	5.9
121.10143	11.8
123.08051	5.2
123.11704	6.0
127.03918	6.2
128.06227	3.0
129.07019	8.7
131.08607	15.5
133.06491	3.6
133.10172	17.4
135.08052	8.6
135.11697	8.8
137.09604	3.6
141.07033	2.7
143.08566	7.7
145.04883	3.1
145.10127	10.1
147.08078	7.9
147.11700	3.3
149.09610	6.3
149.13263	7.7
151.11163	3.5
157.10139	5.5
159.11726	8.2
161.09625	6.8
171.11743	4.6
173.04472	9.5
173.09593	3.0
173.13309	2.9
175.11256	2.8
177.12802	6.7
199.14774	2.5
203.14281	3.0
212.97752	2.3
217.15916	14.6
221.15390	2.7
227.12747	2.8
233.15439	7.1
239.23784	3.3
241.10699	2.8
245.19041	5.5
251.16464	2.4
251.46974	2.4
253.14363	5.0
254.39359	2.8
255.15741	4.8
269.17511	24.5
270.02631	2.2
273.18542	43.8
291.19540	25.9
303.15765	2.5
307.19058	9.5
313.27393	100.0
323.18552	2.3
347.22095	16.9
365.23306	22.1
369.30035	2.7
383.23962	2.8
398.65573	2.9
413.21655	2.8
417.22253	2.5
417.80853	2.5
493.38669	7.4
504.22562	2.2
505.38855	2.7
507.40588	37.6
535.40515	2.3
545.41748	6.7
585.45190	16.2
603.46100	45.8
621.47198	18.2
661.56183	2.9
950.25140	2.4
969.62860	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	970.6112
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	3.1
69.07076	21.4
71.04984	3.7
71.52904	2.9
72.50368	1.5
73.02924	3.7
77.79004	1.5
79.05504	65.5
80.06255	1.7
81.03430	3.6
81.07066	77.0
83.04999	4.0
83.08643	10.8
85.02906	14.1
85.06564	3.8
85.40520	1.5
89.82062	1.6
91.03976	13.4
91.04504	1.7
91.05489	62.5
93.07054	71.1
95.04448	1.4
95.04981	6.8
95.08614	57.6
97.02905	7.6
97.06552	4.8
97.10169	5.3
99.08100	2.3
103.05507	2.8
105.04545	3.3
105.07041	59.7
107.08607	43.8
109.06530	2.8
109.10170	25.7
111.08101	3.7
113.79368	1.5
115.05453	2.3
117.07039	18.2
118.45461	1.7
119.08595	49.8
121.10155	35.4
123.08110	3.7
123.11718	8.6
125.09644	2.2
127.03928	4.0
128.06218	3.2
129.05544	1.7
129.07030	9.7
131.08577	33.5
133.10147	45.0
135.11697	29.0
137.09700	1.7
142.07793	2.7
143.08580	10.0
143.61623	1.7
145.04974	4.9
145.10149	30.2
147.11699	34.4
147.12796	2.1
149.09668	3.5
149.13268	13.3
155.08626	3.1
157.10138	12.9
159.11725	26.5
161.13268	21.8
163.06032	9.4
163.14853	5.8
169.10114	2.8
171.11708	14.1
173.13264	16.2
175.11263	2.5
175.14842	11.1
177.12801	1.7
177.16409	2.1
183.11757	3.4
185.13281	9.0
187.14827	6.7
189.12691	2.1
197.13298	2.8
199.11111	1.6
199.14874	8.2
201.12833	2.0
201.16444	3.2
211.14906	2.9
213.16457	4.0
215.17963	2.3
227.16330	1.6
231.17456	2.3
231.21208	4.1
239.18089	3.3
241.19586	22.8
241.21828	2.9
243.21239	5.5
257.19016	8.8
259.20602	60.9
261.22150	11.2
267.15637	1.7
299.23804	1.8
315.23166	7.0
317.24734	1.5
331.22748	1.8
333.24246	47.4
335.25848	84.9
337.27136	5.1
351.25003	2.0
367.22791	2.0
441.27164	1.9
460.79218	1.5
489.35770	2.5
519.41919	6.4
527.37555	2.0
537.43195	4.7
541.39954	1.6
593.45721	19.4
611.46735	100.0
612.46686	3.6
614.44110	1.7
623.46796	3.2
669.71399	1.6
701.47754	4.7
719.48596	3.1
737.49707	4.7
755.50793	5.3
970.56427	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	969.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	0.8
69.03432	3.0
70.06577	1.2
71.53647	0.9
72.08133	0.6
73.02946	0.9
79.05508	1.7
81.03435	1.0
81.07065	0.5
82.06606	1.1
84.08193	0.5
85.02914	3.6
86.09749	0.6
91.05503	1.7
93.05811	0.7
93.07054	2.5
94.06576	4.8
95.05057	0.7
95.07365	2.2
96.08134	6.9
97.02916	1.9
103.05472	0.8
106.06573	2.6
107.07324	1.0
108.08126	10.2
109.02908	0.9
110.06096	0.7
110.09694	8.8
116.04990	1.0
118.06508	1.0
120.04460	3.2
120.08112	9.7
121.08948	0.6
122.06033	8.3
122.09656	2.9
124.07604	3.9
127.03912	1.1
132.08144	0.8
134.06044	2.0
136.07587	18.1
137.06044	0.9
138.05548	1.0
138.09160	17.5
144.04468	2.2
146.06012	6.1
146.09677	0.8
148.07593	12.9
150.05644	0.6
150.09167	8.6
152.07083	15.3
158.05997	0.8
160.04050	1.1
160.07587	1.4
162.05582	1.8
162.09048	0.6
164.07080	5.4
166.08649	37.2
167.07060	0.8
172.03944	20.1
172.05438	1.0
174.05530	1.3
174.09161	1.3
175.07596	0.7
176.07162	1.4
178.08640	1.0
181.05084	1.2
182.08192	1.4
182.09753	0.8
190.05003	15.1
194.08205	1.0
197.10779	1.3
198.11595	2.5
199.12457	1.1
204.06578	25.7
209.10771	1.3
210.11583	2.5
211.08678	0.9
211.12270	3.8
212.09505	1.7
212.13118	2.4
213.10437	0.9
213.13963	1.3
218.08214	2.1
221.10835	1.4
222.11519	0.6
223.12288	4.1
224.09480	1.2
224.13025	0.6
225.10287	6.5
225.13989	1.7
226.10948	4.1
227.11784	3.6
229.09744	0.8
229.13419	1.1
235.08696	0.9
235.12350	1.6
236.09470	1.8
236.13037	0.9
237.10245	6.5
237.13820	1.6
238.10954	4.4
239.11821	8.9
240.12494	1.0
241.09860	0.9
241.13394	1.4
243.11362	1.3
246.07666	1.6
248.09222	0.7
249.10226	6.8
250.10887	5.9
251.08090	1.5
251.11806	12.7
252.09015	1.7
252.12614	3.1
253.09763	3.1
253.13356	6.2
255.11253	3.5
256.12131	1.9
257.12933	1.4
259.14606	0.9
261.10385	0.8
262.11136	1.7
263.08853	1.0
263.11801	15.9
263.14459	1.1
264.09070	2.5
264.12610	3.8
265.09827	5.5
265.13437	8.7
266.10513	4.2
267.11288	16.1
267.14017	0.9
268.12033	1.3
269.12906	4.5
271.08041	0.7
271.10916	1.8
271.14499	4.4
273.12280	3.4
275.11829	1.1
276.08890	0.8
277.09750	2.2
277.13330	1.2
278.10541	3.7
279.11292	24.1
280.12027	4.9
281.09662	1.2
281.12848	10.6
282.10144	1.5
282.13712	1.7
283.10892	4.0
283.14221	1.2
284.11551	8.4
285.12354	27.8
286.13123	1.0
287.14066	2.0
289.15576	2.3
291.11307	15.3
292.12073	4.1
293.09335	1.9
293.12793	14.6
295.10831	3.4
295.14063	0.9
296.11594	4.4
297.12363	36.0
298.13147	2.8
299.13971	6.4
307.10818	2.9
308.11353	0.9
309.12350	17.3
310.13144	3.8
311.10364	4.4
311.13989	5.1
313.12048	2.8
313.15134	0.8
315.13812	0.9
316.14648	0.6
319.10800	11.0
321.12408	8.6
323.10291	9.2
323.13992	0.7
324.11121	1.3
325.11865	18.7
326.12488	1.3
327.13449	8.5
328.14063	0.7
330.15839	0.8
333.12729	0.7
337.11835	55.0
338.12546	2.2
339.13397	5.7
340.14130	0.8
341.11459	2.5
341.15173	0.9
343.13214	2.7
351.13361	1.1
355.12906	1.4
357.14532	7.7
358.15463	1.1
359.16278	1.4
360.17133	0.9
369.14471	3.7
370.15433	1.2
371.16122	1.8
372.17191	1.5
373.13724	0.8
374.18979	0.8
384.17316	1.1
385.14038	1.1
386.14825	0.8
387.15778	0.6
388.16522	1.1
390.18127	1.6
392.19901	1.1
396.48596	0.7
399.15695	2.3
400.16327	2.8
401.17035	1.0
402.18359	2.2
404.20081	2.7
406.17462	0.8
412.16589	1.6
416.19788	1.6
418.17416	2.0
420.19543	1.2
421.19882	0.8
422.20963	2.1
424.16943	1.2
430.17685	5.7
432.19168	6.1
433.19684	0.9
436.18997	0.9
442.17795	2.5
444.19342	2.2
446.20764	3.2
448.18738	11.9
449.19510	9.0
450.20316	9.4
458.17416	0.7
460.18613	8.3
461.19424	2.1
462.20251	4.1
463.21033	1.1
469.15976	0.9
472.18781	2.9
474.20337	2.9
476.18106	3.5
477.18933	3.1
478.19720	3.3
480.21436	2.3
481.16141	1.0
487.17041	5.2
490.19778	22.7
491.20190	2.6
492.21368	6.9
519.19470	1.2
522.22449	10.1
523.23187	1.2
566.24377	0.7
585.28003	0.9
594.24506	1.5
595.25372	7.4
608.26355	1.8
611.24774	1.3
612.25653	2.9
613.26605	100.0
614.26843	2.1
634.23975	2.3
636.25250	1.4
645.29272	24.4
646.29517	1.0
652.25043	22.8
653.25684	4.6
654.26550	2.3
655.27350	0.6
684.27667	14.8
685.28168	3.0
739.29321	1.5
757.30530	3.5
775.31903	51.1
776.31818	2.3
778.27966	1.2
807.34601	14.6
814.30634	3.6
901.33820	0.7
937.35486	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	964.6211
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	45.0
69.03437	6.3
69.07075	19.9
70.98259	0.8
70.98592	1.4
71.05003	4.5
71.08636	26.6
73.02914	3.4
73.06542	0.7
79.05498	28.2
81.03419	9.9
81.07063	56.6
83.04986	7.1
83.08625	16.6
85.02452	0.9
85.02911	12.4
85.06522	2.8
85.10191	16.2
89.05996	1.2
91.03983	3.0
91.05486	27.0
91.17027	0.7
93.07047	33.0
95.04983	6.9
95.08612	37.7
97.02389	0.7
97.02898	8.7
97.06023	0.7
97.06544	9.8
97.09661	0.7
97.10180	8.8
99.04427	2.4
99.08051	2.4
99.11702	0.7
103.07565	1.5
105.04541	1.3
105.07037	22.0
107.04951	5.6
107.08603	22.8
109.02852	2.4
109.06528	4.9
109.09496	1.0
109.10169	16.5
109.38691	0.6
111.04417	1.1
111.08099	3.4
111.11672	1.9
112.57491	0.7
113.09634	1.1
115.05424	1.4
117.07037	11.5
119.08597	15.0
121.06484	3.2
121.09337	0.9
121.10152	11.8
123.04409	1.0
123.08042	2.0
123.11717	5.6
125.09648	3.2
127.03920	4.9
128.06233	0.8
129.05461	1.9
129.07036	3.6
129.31627	0.7
130.07777	1.0
131.08582	14.1
133.06490	1.3
133.10144	15.9
133.27890	0.7
135.08035	2.4
135.11705	10.4
137.09596	2.0
137.13252	1.0
139.11179	0.7
139.24535	0.6
141.06956	1.5
143.08585	3.9
145.04930	2.5
145.06453	1.2
145.09062	0.8
145.10139	11.5
147.08028	0.7
147.11690	6.4
149.09637	8.8
149.13249	7.6
151.11142	1.7
155.08557	1.9
157.10141	3.1
159.11723	10.4
161.13316	3.1
163.06027	2.1
163.07411	1.0
163.11211	5.2
169.10048	1.7
171.11679	2.8
173.04453	2.7
173.05852	0.6
173.09677	1.2
173.11856	1.0
173.13252	4.4
175.11232	0.6
177.06911	0.7
177.12798	3.3
179.14305	1.8
181.12196	0.8
183.11723	1.6
185.13278	1.7
187.14796	1.1
189.11194	1.6
189.12741	0.7
195.11876	0.8
195.13806	4.3
197.13254	1.3
199.14813	1.2
201.16417	0.9
205.12106	0.9
207.13908	0.9
213.14787	0.8
217.15881	1.6
219.13820	0.9
227.12827	5.1
229.14265	3.5
229.19435	1.4
239.17987	2.5
239.23697	3.9
247.20580	1.8
251.16368	1.4
255.15947	13.9
257.19089	7.1
257.24783	2.3
267.15939	2.7
269.17496	33.4
273.14847	0.7
275.20068	23.4
291.19583	2.1
293.21106	2.6
298.27591	0.7
309.20593	2.6
313.27390	100.0
314.27637	1.6
321.24426	1.1
331.22742	3.2
331.40176	0.7
339.18127	1.9
349.23761	30.2
350.24033	0.7
360.71240	0.6
367.24887	4.1
395.11707	0.6
413.21628	3.5
419.24118	1.1
467.37122	4.7
483.36957	1.3
491.40848	0.8
493.28094	1.1
493.38968	21.4
494.38998	0.7
507.40494	91.6
508.40897	1.7
511.29022	0.9
521.42401	0.7
529.42480	0.9
547.43591	11.1
559.47589	0.9
569.45856	1.2
587.46741	47.8
588.46857	1.7
605.47852	15.1
651.44733	3.0
749.52057	2.4
869.54523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6054
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04816	1.8
67.05198	4.2
67.05506	18.1
69.03433	5.0
69.07076	19.8
69.26783	5.1
71.05022	1.4
71.08640	12.1
73.02908	1.0
76.52047	0.7
79.05067	1.1
79.05503	14.4
81.03433	3.7
81.07063	18.5
83.04984	2.2
83.08624	10.8
85.02910	3.5
85.06535	1.1
85.10194	7.0
89.06033	0.9
91.03957	1.0
91.05489	8.5
93.07056	9.5
95.04974	5.0
95.08617	17.2
97.02900	8.7
97.06534	1.7
97.10175	9.9
103.07564	0.6
105.07036	6.4
107.04971	4.2
107.08601	7.8
109.06519	1.9
109.10176	9.0
111.08096	1.3
117.07039	4.6
119.05024	0.9
119.08592	6.9
121.06525	1.6
121.10155	2.9
123.04417	0.9
123.08084	2.0
123.11686	1.2
125.09637	5.1
127.03918	1.1
129.07036	1.8
131.08578	5.5
133.06511	0.9
133.10162	2.4
135.08084	2.1
135.11722	1.5
137.09628	2.1
143.08569	1.8
145.10139	2.6
147.08054	3.7
147.11742	1.6
149.09682	1.0
149.13286	1.5
149.59213	0.6
157.10172	1.9
159.11734	1.0
161.09654	1.9
163.11201	1.0
163.43803	0.7
165.09131	0.7
169.10283	0.8
175.11197	1.7
189.11205	1.9
193.12241	1.2
195.13811	0.9
205.12274	1.6
223.13298	14.9
227.12845	3.1
239.23758	1.0
245.19083	1.3
249.14986	2.1
255.36795	0.7
257.24844	0.8
263.19946	1.0
267.15967	1.1
273.18573	10.0
285.17126	0.7
290.85251	0.7
291.19556	74.0
292.20090	0.9
313.27393	66.1
314.27933	1.2
319.80792	0.8
347.22314	2.5
365.23257	64.1
505.39111	1.1
523.40063	4.7
585.44946	2.0
603.46228	100.0
604.46686	2.1
621.48926	0.7
631.06146	0.7
665.99518	0.9
747.48718	0.7
765.51337	1.0
853.16858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.632
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	84.7
69.03455	3.8
69.07088	30.0
69.16511	5.6
69.16936	10.3
71.04992	3.0
71.08628	3.8
73.02915	6.1
79.05081	2.5
79.05512	42.9
81.03417	2.2
81.07075	99.8
83.04985	1.9
83.08630	18.4
85.02441	2.0
85.02916	25.5
87.19401	1.5
91.03989	16.0
91.05502	27.4
93.06487	3.3
93.07063	52.5
94.07417	1.4
95.04981	2.8
95.08625	67.6
96.08929	2.0
96.85404	1.7
97.02899	15.3
97.06554	4.0
97.10181	9.5
99.04456	1.5
99.08064	2.1
105.07037	19.9
107.08619	32.5
109.06528	1.9
109.10178	33.1
111.08080	3.4
111.11710	4.2
117.07008	6.4
119.08620	21.1
121.10169	27.6
123.08073	1.7
123.11732	13.5
125.09607	2.7
127.03935	6.4
129.07005	1.8
131.08624	13.6
131.36934	1.6
133.10156	16.5
135.11737	19.4
137.13284	4.5
143.08546	2.8
145.04958	8.5
145.10149	10.9
147.11674	12.2
149.13298	11.8
151.14885	1.8
157.10175	1.8
159.11708	9.3
161.13329	10.3
163.06049	9.6
163.14856	10.0
173.13326	9.0
175.14864	4.5
177.16493	2.1
185.13298	1.9
187.14822	5.0
189.16402	2.2
195.85623	1.6
197.18910	1.7
199.14928	2.0
233.22577	2.0
241.19557	1.9
243.21082	7.8
245.22565	2.6
259.20627	8.4
261.22192	29.7
263.23779	4.4
295.73154	1.6
299.23074	1.8
317.24762	3.8
320.07867	1.8
333.24243	7.3
335.25873	92.9
336.26083	5.2
337.27432	100.0
339.28873	8.5
368.61603	1.8
374.83908	1.7
484.59442	2.0
523.44958	4.9
597.48877	43.2
615.49908	70.2
717.41504	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6157
Annotation	Unknow
Peak:m/z	Relative Intensity
66.38857	1.5
67.05514	54.6
69.07066	15.1
69.65131	1.5
70.76707	4.0
71.05000	2.1
73.02913	3.3
76.75916	1.9
79.05080	1.8
79.05504	33.3
81.06594	3.2
81.07065	61.7
81.95261	1.5
83.04993	2.7
83.08592	8.7
85.02914	14.7
91.03962	12.6
91.05489	22.1
93.07057	43.0
95.04961	2.3
95.08614	45.9
95.42340	1.4
97.02913	10.7
97.10162	2.8
105.07042	19.4
107.08610	22.1
109.10161	20.4
117.07028	8.5
119.08595	17.9
120.48034	1.6
121.10169	18.5
123.11694	8.5
125.09652	1.9
127.03904	3.4
131.08540	9.6
133.10133	12.7
135.11710	14.7
137.13303	2.1
143.08487	1.6
145.04924	6.2
145.10144	10.5
147.11699	9.1
149.13304	8.5
151.14758	1.9
159.11713	9.1
161.13248	7.3
163.06046	10.0
163.14757	3.9
171.11729	1.9
173.13297	8.1
175.14816	5.0
185.13293	3.0
187.14857	2.0
199.14688	2.1
201.16357	3.2
215.37041	1.6
233.10460	1.6
241.19543	6.3
243.21121	4.3
259.20508	10.4
261.22189	19.2
299.23688	2.0
317.24789	2.1
333.24338	13.4
335.25827	100.0
337.27396	14.9
353.88348	1.9
503.43207	1.9
521.43280	3.4
539.44531	2.7
543.39618	1.9
595.47235	21.6
613.48376	29.1
984.75317	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6149
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	53.0
69.03442	2.4
69.07071	12.3
70.11626	1.0
70.12015	0.9
71.04988	2.0
71.08620	1.0
73.02920	3.3
77.03953	0.7
78.99535	0.5
79.05496	34.1
81.03397	1.3
81.07060	53.5
83.04982	1.0
83.08625	6.5
85.02908	12.7
85.06535	1.0
85.10307	0.4
91.03962	10.1
91.04902	0.9
91.05482	22.6
93.07047	43.9
94.39944	0.5
95.04980	2.6
95.08611	44.7
97.02898	8.0
97.06517	2.0
97.10168	2.8
98.20843	0.7
99.04458	0.9
99.08093	0.9
101.02362	0.6
105.04547	1.2
105.07035	18.2
107.08599	23.0
109.06525	1.3
109.10165	20.1
111.08083	1.0
113.09602	0.6
115.05413	0.7
117.07010	7.0
119.08589	15.1
121.06531	0.6
121.10151	20.6
123.08047	1.4
123.11714	7.1
125.09627	1.3
127.03920	4.7
129.07001	1.6
130.07771	0.5
131.08574	11.5
133.09116	0.7
133.10127	13.4
135.11699	13.4
137.09622	0.6
137.13269	2.0
139.11195	0.6
143.08565	2.4
145.04951	5.8
145.10123	9.1
146.26872	0.6
147.11684	10.6
149.09604	0.6
149.13271	8.4
151.14836	1.3
157.10155	1.7
159.11687	9.7
159.12883	0.9
161.13277	9.0
163.06017	8.2
163.11221	0.9
163.14825	6.1
165.12804	0.6
171.11708	2.3
173.13272	7.6
175.11166	0.5
175.14832	3.8
177.16373	1.7
183.11737	0.9
185.13309	2.4
187.14833	3.8
189.16409	1.8
197.13329	0.5
199.14824	1.7
201.16423	1.8
203.17992	0.7
211.14857	0.5
213.16473	0.9
215.17973	1.5
217.19489	0.7
227.16295	0.7
231.21138	1.1
233.22667	1.0
241.19585	4.3
243.21114	5.4
245.22615	1.0
257.19016	0.8
259.20590	9.9
261.22150	19.8
263.23599	2.3
271.20679	0.6
273.22171	0.5
277.21732	0.7
279.23242	0.9
285.22128	0.6
299.23666	1.3
315.23282	1.7
317.24759	4.2
333.24277	9.1
335.25815	100.0
336.26117	1.1
337.27341	13.4
341.24652	0.6
349.27267	0.6
351.25208	0.9
451.35745	0.6
475.33972	0.7
489.35925	0.7
503.42911	0.8
521.43719	2.5
529.39063	1.0
531.40338	0.9
539.44574	1.4
543.40430	1.3
595.47247	18.1
596.47400	0.6
613.48279	28.1
614.48279	0.7
662.77014	0.6
954.56824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	100.0
69.03442	6.3
69.07080	13.0
70.06590	1.5
70.56707	2.2
71.01352	0.9
71.04996	13.7
73.02907	2.7
79.05500	46.1
81.03426	11.1
81.07062	60.9
83.04990	6.1
83.08630	15.4
85.02914	14.8
85.06552	4.4
87.04475	41.3
91.03958	6.5
91.04913	1.3
91.05486	29.7
93.07050	47.1
95.04979	7.4
95.08615	40.8
96.04494	1.6
97.02899	9.7
97.06515	3.7
97.10178	15.5
99.04461	16.2
99.08063	1.9
101.05988	1.3
103.03970	0.8
103.05461	0.9
105.04523	2.1
105.07038	17.9
107.04945	3.2
107.08604	30.9
109.02867	1.5
109.06512	2.7
109.10166	63.5
110.10512	1.0
111.04434	2.8
111.08092	5.0
115.03915	1.2
116.07074	1.9
117.07024	7.6
119.08595	20.4
121.06550	1.5
121.10149	20.6
122.10619	0.8
123.08077	1.9
123.11744	4.8
125.09644	13.7
127.03921	3.4
129.07004	3.5
131.08580	13.1
133.10138	12.5
135.08038	2.4
135.11708	13.5
137.09615	4.2
137.13249	2.1
139.11203	1.0
143.08551	2.8
145.04945	2.3
145.06468	1.0
145.10139	10.9
147.11700	6.4
149.09618	2.4
149.13260	6.8
155.08600	1.6
155.10699	4.2
155.85883	0.8
157.10115	2.2
159.11702	6.1
161.13319	4.5
163.06042	2.7
163.11191	5.4
163.14819	3.9
165.12711	1.4
171.11691	2.2
173.04541	1.6
173.09625	1.8
173.11734	17.6
173.13252	5.7
175.11209	2.0
175.14883	1.9
177.12772	1.4
181.12260	1.6
183.11674	1.6
185.13245	1.9
187.14799	2.6
189.11288	2.1
191.10651	2.0
193.12253	3.7
194.40828	0.9
195.11853	1.0
195.13667	1.0
199.13309	10.9
199.14937	1.3
201.16443	1.6
209.11687	1.7
211.13330	1.7
217.14294	2.8
223.13170	1.2
225.08748	0.9
225.14824	1.5
227.12811	9.2
229.14368	48.7
241.14357	4.3
241.19525	2.7
243.21111	3.8
257.13803	3.8
259.15359	2.3
259.20578	3.2
261.22159	16.1
267.15955	10.1
271.20569	1.5
275.96185	0.8
277.21649	1.8
283.15436	1.3
287.20007	0.9
289.21594	2.7
299.23636	1.4
309.22302	1.1
311.72055	0.9
315.18008	9.6
317.24777	2.8
327.23322	1.6
333.18970	2.3
333.24124	2.0
335.25830	67.7
336.26138	2.6
345.24362	0.9
351.25287	1.5
363.25284	4.5
388.31479	0.9
405.26312	1.1
433.30685	1.2
451.31671	1.0
459.34409	2.2
469.33289	1.0
477.29181	1.2
477.35754	19.0
489.35806	65.2
490.35718	1.1
517.35168	3.3
525.35760	2.6
527.37207	1.3
543.36835	8.9
545.38818	1.0
561.37604	2.7
575.39508	6.0
593.40527	5.1
610.45892	0.8
737.44080	1.4
910.02234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	100.0
69.03442	6.3
69.07080	13.0
70.06590	1.5
70.56707	2.2
71.01352	0.9
71.04996	13.7
73.02907	2.7
79.05500	46.1
81.03426	11.1
81.07062	60.9
83.04990	6.1
83.08630	15.4
85.02914	14.8
85.06552	4.4
87.04475	41.3
91.03958	6.5
91.04913	1.3
91.05486	29.7
93.07050	47.1
95.04979	7.4
95.08615	40.8
96.04494	1.6
97.02899	9.7
97.06515	3.7
97.10178	15.5
99.04461	16.2
99.08063	1.9
101.05988	1.3
103.03970	0.8
103.05461	0.9
105.04523	2.1
105.07038	17.9
107.04945	3.2
107.08604	30.9
109.02867	1.5
109.06512	2.7
109.10166	63.5
110.10512	1.0
111.04434	2.8
111.08092	5.0
115.03915	1.2
116.07074	1.9
117.07024	7.6
119.08595	20.4
121.06550	1.5
121.10149	20.6
122.10619	0.8
123.08077	1.9
123.11744	4.8
125.09644	13.7
127.03921	3.4
129.07004	3.5
131.08580	13.1
133.10138	12.5
135.08038	2.4
135.11708	13.5
137.09615	4.2
137.13249	2.1
139.11203	1.0
143.08551	2.8
145.04945	2.3
145.06468	1.0
145.10139	10.9
147.11700	6.4
149.09618	2.4
149.13260	6.8
155.08600	1.6
155.10699	4.2
155.85883	0.8
157.10115	2.2
159.11702	6.1
161.13319	4.5
163.06042	2.7
163.11191	5.4
163.14819	3.9
165.12711	1.4
171.11691	2.2
173.04541	1.6
173.09625	1.8
173.11734	17.6
173.13252	5.7
175.11209	2.0
175.14883	1.9
177.12772	1.4
181.12260	1.6
183.11674	1.6
185.13245	1.9
187.14799	2.6
189.11288	2.1
191.10651	2.0
193.12253	3.7
194.40828	0.9
195.11853	1.0
195.13667	1.0
199.13309	10.9
199.14937	1.3
201.16443	1.6
209.11687	1.7
211.13330	1.7
217.14294	2.8
223.13170	1.2
225.08748	0.9
225.14824	1.5
227.12811	9.2
229.14368	48.7
241.14357	4.3
241.19525	2.7
243.21111	3.8
257.13803	3.8
259.15359	2.3
259.20578	3.2
261.22159	16.1
267.15955	10.1
271.20569	1.5
275.96185	0.8
277.21649	1.8
283.15436	1.3
287.20007	0.9
289.21594	2.7
299.23636	1.4
309.22302	1.1
311.72055	0.9
315.18008	9.6
317.24777	2.8
327.23322	1.6
333.18970	2.3
333.24124	2.0
335.25830	67.7
336.26138	2.6
345.24362	0.9
351.25287	1.5
363.25284	4.5
388.31479	0.9
405.26312	1.1
433.30685	1.2
451.31671	1.0
459.34409	2.2
469.33289	1.0
477.29181	1.2
477.35754	19.0
489.35806	65.2
490.35718	1.1
517.35168	3.3
525.35760	2.6
527.37207	1.3
543.36835	8.9
545.38818	1.0
561.37604	2.7
575.39508	6.0
593.40527	5.1
610.45892	0.8
737.44080	1.4
910.02234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	2.7
67.90309	0.2
69.03436	2.6
69.07082	0.6
71.01368	0.5
71.04991	0.5
71.52805	0.3
73.02922	2.9
79.05499	2.6
81.03424	2.2
81.07063	2.9
83.08649	0.7
85.02917	4.3
87.04481	0.3
88.26782	0.2
91.03956	3.1
91.05486	1.8
93.07050	2.3
95.05015	0.3
95.08607	1.9
95.09111	0.2
97.02901	5.3
97.06573	0.3
97.10194	0.5
99.04472	0.7
101.02399	1.5
103.03963	0.2
105.07056	1.0
107.08608	1.6
109.02910	0.7
109.10184	1.0
115.03944	0.4
118.72024	0.2
119.08627	0.9
121.10182	1.4
122.12172	0.2
127.03925	1.7
129.05553	0.3
129.07066	0.3
131.08595	0.9
133.10173	0.6
135.11761	0.5
145.05023	0.3
147.11722	0.4
149.09682	0.5
149.13223	0.2
157.10191	0.4
173.06056	0.2
183.06522	0.2
185.04263	0.7
193.12292	0.4
203.05377	0.5
225.14871	0.3
229.14453	0.4
236.60405	0.3
243.08366	1.7
267.15948	0.3
283.15128	3.1
305.08563	0.3
331.09033	0.2
335.25967	0.8
338.27405	0.5
339.18115	0.5
347.09445	2.2
363.09439	0.3
365.10522	1.3
405.13672	5.2
501.23126	4.8
501.30347	0.3
519.29413	6.8
519.37177	0.4
663.28290	4.3
681.34607	7.2
779.45599	1.8
941.50836	100.0
942.50916	2.6
972.92444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.2
67.05510	100.0
68.05841	0.8
69.03445	5.1
69.07069	16.8
71.01353	1.2
71.05003	5.3
71.52270	1.4
73.02928	5.2
79.05499	45.2
81.03424	9.3
81.07063	68.9
83.04990	5.7
83.08619	13.9
84.08130	1.0
85.02912	25.2
85.06542	4.7
87.04481	7.1
91.03960	7.7
91.05486	30.3
93.07051	46.0
95.04971	6.3
95.08614	42.6
97.02895	11.2
97.06535	5.2
97.10177	22.0
97.10786	1.3
99.04504	1.1
99.08105	1.9
103.03957	1.9
105.04550	1.2
105.07040	18.9
107.05013	2.0
107.08600	33.6
109.02908	1.3
109.06527	2.8
109.10162	56.2
111.04432	1.7
111.08077	3.5
111.11724	1.4
115.05468	1.2
117.07018	9.6
119.08596	19.2
121.06554	1.7
121.10150	23.7
123.08086	3.7
123.11748	5.3
125.09636	22.9
127.03969	3.3
127.11171	0.9
128.06360	0.7
129.05540	0.9
129.07042	2.7
130.07837	0.8
131.08583	13.7
133.06555	0.8
133.10146	12.6
133.11090	1.0
135.08105	1.8
135.11699	14.8
137.09662	4.1
137.13309	1.7
139.11177	4.4
143.08591	3.4
143.10751	2.8
145.04990	5.5
145.10133	11.2
146.84099	0.7
147.08055	0.9
147.11697	9.7
149.09673	3.4
149.13268	7.0
151.11264	1.0
153.09233	1.2
153.12776	2.3
155.08665	1.9
155.10681	5.7
157.10078	3.8
159.11719	7.9
161.09737	1.2
161.13283	5.6
163.06047	4.8
163.11192	6.3
163.14825	3.6
165.12750	1.5
167.10805	1.2
169.10144	1.4
171.10400	0.7
171.11761	2.9
173.09627	1.5
173.10118	1.2
173.11798	17.2
173.13318	7.1
175.11278	2.5
175.14886	3.2
177.12726	1.4
177.16429	0.9
181.12321	2.2
183.11751	1.7
183.80054	0.9
185.13353	2.4
185.45218	0.8
187.11345	0.8
187.13403	0.8
187.14908	3.0
188.63026	0.7
189.11174	3.7
191.10791	2.6
191.14392	0.7
193.12247	4.2
197.13336	2.3
199.13310	10.2
199.14857	1.2
201.16483	1.1
203.12822	1.5
205.12317	0.9
209.11649	4.5
211.13316	2.3
211.15086	1.3
213.16516	2.0
215.18054	1.1
217.14420	3.2
227.12784	11.5
229.14371	60.9
230.14894	0.7
233.22832	1.3
241.14445	2.0
241.19557	1.3
243.21095	5.7
245.13867	5.8
249.14989	0.7
257.13882	1.3
257.19092	1.4
259.20602	4.1
261.22141	20.8
267.15961	9.6
271.20630	1.7
272.85855	0.8
275.20261	0.9
277.21765	3.0
283.15543	3.1
285.17072	1.4
285.22046	1.4
289.21732	2.6
297.22107	1.1
299.15073	1.3
299.23828	2.2
301.16492	28.4
301.21756	1.2
313.21738	1.1
315.23303	2.8
317.24652	4.7
327.23337	2.7
331.22815	1.4
333.24417	3.1
335.25827	80.3
336.26331	1.7
345.24417	1.1
349.24075	1.1
351.25513	1.9
353.27194	0.9
363.25491	3.3
389.27048	1.5
401.26630	0.9
405.26306	0.9
423.27917	1.3
423.33160	0.8
433.31320	1.8
451.32358	2.6
452.89499	0.8
459.34741	1.7
463.21848	1.9
463.31195	1.0
469.33063	3.4
471.35440	0.9
477.35818	11.1
487.34497	1.7
489.35852	17.7
503.33765	1.3
507.36783	2.0
517.35651	2.7
525.36072	2.6
527.38129	0.9
543.36810	11.9
561.37866	16.9
579.38861	5.4
723.43182	1.8
741.45392	0.8
922.37854	0.8
931.29260	0.8
938.46777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.5
67.05509	1.0
68.05030	0.7
68.99789	0.5
69.03414	1.1
69.07076	2.3
70.02959	4.6
70.06610	1.8
71.52345	0.5
72.08160	0.4
74.00660	0.6
74.02457	0.6
75.01435	0.6
75.09183	0.4
76.02237	1.8
76.04021	2.4
77.51582	0.4
79.05498	4.0
80.05005	0.5
80.06265	0.5
81.03426	10.8
81.07056	1.7
82.06596	0.8
83.04992	3.0
83.06112	2.7
84.04514	7.3
84.08147	1.1
85.02917	2.3
85.04024	0.9
86.06084	0.8
86.09707	1.5
87.19290	0.4
88.04007	0.5
91.05494	2.3
93.07037	0.6
94.06593	0.6
95.04986	2.7
96.04503	0.7
96.08143	0.4
97.02897	1.8
97.06542	12.2
98.06055	0.9
99.05586	7.2
100.03949	0.5
103.05480	0.7
105.03411	0.6
105.07046	0.6
106.04147	0.4
106.06571	0.5
107.04980	3.8
107.06098	2.7
108.04468	1.0
108.05736	1.3
109.02906	1.1
109.06485	0.5
109.07654	2.8
110.06042	1.3
110.99049	1.1
111.04453	0.8
112.03979	1.3
114.05529	1.4
115.05463	1.0
116.03459	0.7
117.07043	0.8
119.04964	0.8
121.02913	0.4
121.06551	1.9
123.04421	0.9
125.07163	0.5
126.05545	0.9
127.03975	0.5
127.05064	1.6
128.06236	1.1
129.00099	1.6
129.06544	3.8
129.10249	0.5
130.03293	0.7
130.05020	8.7
131.04890	1.6
131.08603	0.8
133.02740	0.4
133.06491	0.7
135.04417	1.8
135.05531	1.2
135.07970	0.5
136.04102	0.6
136.05199	3.0
137.00577	1.1
137.05992	2.0
138.03128	0.5
138.06799	2.8
139.03899	1.6
139.07565	0.6
142.03181	0.6
142.05025	1.6
143.08554	0.9
144.05687	0.6
145.06088	22.0
146.07239	2.2
147.04430	0.7
147.07927	0.9
149.05972	0.7
151.07556	100.0
152.03455	0.6
152.07907	0.8
153.00005	0.6
153.01836	7.2
153.06604	8.5
154.00847	0.6
154.05020	0.8
155.08176	5.2
156.99554	9.8
157.06514	2.0
158.02802	1.0
158.07288	2.9
159.04428	1.4
159.08052	2.1
160.05197	0.6
160.08826	2.2
161.05951	2.2
161.09624	1.2
162.06837	0.7
163.02196	0.5
163.03928	2.4
165.00087	7.0
165.05504	3.9
165.09106	1.0
166.00903	0.8
166.05022	1.6
166.09929	0.5
167.01566	0.8
168.05342	0.5
168.06662	0.5
168.99561	1.4
169.06236	0.5
171.01178	0.8
171.08043	2.0
172.01938	0.9
172.08862	4.9
173.06026	3.1
173.09377	1.1
174.06778	6.4
175.07559	3.5
176.08345	1.6
177.03349	1.4
177.05508	0.8
177.09126	7.0
179.01643	0.9
179.03444	0.6
179.04955	0.8
180.99582	2.8
181.06146	2.1
182.00357	4.8
182.02817	0.6
183.01118	5.5
185.01396	0.5
185.05983	0.4
186.06625	0.5
187.07545	2.0
188.05750	0.5
188.08348	6.8
189.03448	1.1
189.05527	1.7
189.09123	21.4
191.01675	0.6
191.07069	0.8
191.10645	3.3
192.07881	0.5
193.08682	0.9
194.00383	0.9
194.09433	1.2
195.01134	3.3
196.01964	0.7
196.99023	0.5
197.02744	0.7
198.09291	0.5
199.03050	3.5
199.07156	13.4
199.09991	0.8
200.03745	1.2
200.08257	1.3
201.05510	0.5
201.09119	11.4
202.04018	0.8
202.09862	2.7
203.01518	0.4
203.07143	0.8
203.10667	9.8
204.07745	0.9
205.04991	1.0
205.06750	0.6
205.08646	1.4
207.04771	1.5
207.06485	0.8
208.99300	0.6
209.02698	12.4
209.99832	1.8
210.01982	0.8
210.09073	0.5
210.11174	0.8
211.00568	0.7
211.07210	1.3
213.08900	2.5
215.10738	1.2
216.07816	1.0
217.03189	0.9
217.08652	1.7
218.09311	1.2
219.01360	0.5
219.10153	8.0
220.01935	0.9
221.11786	0.5
222.03432	1.1
223.00562	0.7
228.10144	0.4
229.08640	0.9
230.09517	0.6
230.11801	0.5
231.10201	7.7
232.05301	0.7
233.06090	1.3
235.00684	0.5
235.04242	11.1
237.02144	0.5
238.02960	1.6
239.06828	0.4
239.10851	0.5
245.06187	0.4
248.12840	0.9
249.08771	0.5
249.11229	7.6
253.05351	2.7
253.08772	0.6
254.11786	0.4
256.09314	1.6
257.07718	1.1
261.05841	4.3
261.08566	0.6
265.08606	0.6
266.13846	0.7
267.10178	0.6
274.10403	6.3
277.08496	0.7
278.08536	0.6
279.06900	4.7
279.09708	0.7
285.02969	0.5
286.03769	0.4
293.08060	1.2
295.09631	0.6
296.09772	0.6
302.05679	5.2
302.13672	0.4
305.08197	0.6
306.08054	0.4
307.06216	0.5
307.09317	0.6
308.09131	0.8
311.03806	0.5
311.08936	0.4
312.04517	0.5
313.04968	1.0
313.10724	0.7
322.08316	0.6
323.09006	0.7
324.04535	0.8
324.09799	0.7
325.05350	1.4
325.10684	1.1
327.02939	0.4
327.06894	0.8
327.12222	0.4
336.09851	0.6
337.05203	0.4
337.06931	0.4
337.10727	3.1
338.05954	0.8
339.06876	1.4
343.06458	1.2
343.11813	2.4
345.07715	0.5
352.11871	0.4
354.11392	0.6
355.06451	2.8
355.11740	1.7
356.07050	2.4
357.08023	1.7
358.08704	1.5
360.14423	0.6
362.10693	0.7
363.06854	0.5
364.08423	3.2
368.06931	0.5
369.07788	1.6
370.08728	1.8
373.07935	0.9
373.12839	18.0
381.11331	2.8
382.09454	2.2
383.09729	0.5
387.08966	0.6
388.09753	0.8
399.12231	22.1
404.09607	0.9
405.10141	0.9
431.09995	14.3
435.12476	1.2
447.13348	1.4
453.13507	2.8
465.13416	0.5
467.14957	0.7
502.13821	0.5
510.15329	1.5
511.13846	1.3
512.13531	0.6
525.15100	0.4
528.16528	17.9
532.14984	1.5
535.17963	0.5
550.16223	20.9
554.01959	0.5
593.15350	0.8
599.19977	0.6
604.17285	3.9
617.21265	0.6
629.21680	4.1
647.22797	16.7
661.19403	9.3
678.19482	1.5
679.20465	40.3
680.20703	0.7
683.22266	0.7
690.22314	0.5
701.23669	3.6
714.27087	3.3
740.25018	0.7
758.25958	14.1
776.27057	9.5
809.27905	1.2
823.24255	0.8
841.25690	2.7
863.28479	1.2
920.30408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5864
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.5
69.03432	3.3
69.07075	0.7
69.85658	1.8
71.01349	0.4
71.08636	0.6
73.02930	3.5
79.05497	1.2
79.71062	0.4
81.03436	1.2
81.07063	1.9
83.08646	0.5
85.02922	4.4
91.03959	3.2
91.05499	0.6
91.53194	0.4
93.07059	1.6
95.08640	1.9
97.02908	6.0
99.04452	0.9
101.02405	1.4
103.03983	0.4
107.08591	0.5
107.85521	0.3
108.88519	0.3
109.02930	0.8
109.10205	0.9
121.10161	0.5
127.03953	2.0
127.91945	0.3
145.04886	0.5
185.04385	0.9
203.05367	0.8
213.04584	0.4
243.08426	1.8
259.07983	0.4
313.27591	0.7
347.09528	2.4
363.08554	0.4
365.10745	1.1
390.62769	0.4
405.13794	5.9
497.30872	4.0
519.29382	6.0
659.36475	3.9
681.34558	6.2
775.53625	1.3
937.58667	100.0
938.58569	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	937.5871
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	2.0
68.87387	0.3
69.03436	3.0
69.07083	0.7
69.26318	3.0
71.01356	0.4
71.08646	0.8
73.02929	4.0
79.05526	1.4
81.03433	1.5
81.07067	2.2
83.08628	0.6
85.02917	5.7
85.10211	0.4
87.04472	0.4
91.03974	3.5
91.05489	0.7
93.07069	1.3
95.08096	0.4
95.08611	2.4
97.02905	5.4
97.10175	0.5
99.04481	0.9
101.02419	1.6
105.07078	0.6
107.08611	0.7
109.02915	1.0
109.10222	0.8
115.03987	0.7
119.08620	0.8
121.10229	0.7
127.03951	1.7
135.11700	0.5
181.88716	0.4
185.04295	1.2
203.05406	0.9
221.85188	0.3
233.42923	0.3
243.08623	1.6
261.54645	0.4
313.27365	0.6
334.01062	0.4
335.25803	0.7
347.09549	2.5
365.10864	1.1
405.13702	6.1
422.96869	0.4
497.30942	4.6
519.29358	6.3
659.36127	4.5
681.34674	6.5
775.53320	1.4
863.64661	0.5
937.58710	100.0
938.58661	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	934.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
64.98733	0.4
69.03437	55.9
69.33582	1.2
69.33997	2.1
70.06622	0.5
71.04998	0.4
73.02921	2.3
75.04475	1.0
79.05474	0.4
81.03441	2.2
83.04984	0.7
83.99940	0.4
84.04523	0.4
85.02380	0.8
85.02915	44.7
87.04478	48.2
91.03967	0.9
95.04997	0.5
97.02904	60.0
98.06029	0.6
99.04476	1.7
101.02432	0.5
103.03952	1.0
105.07040	5.5
109.02895	2.3
111.04507	0.5
115.03942	100.0
117.05536	0.5
123.04469	0.7
124.05224	8.0
126.05549	0.6
127.03937	7.5
129.06998	0.7
133.04982	91.4
133.06403	4.9
137.05995	13.5
139.03941	0.5
144.06592	1.8
145.04985	9.4
145.06462	1.1
150.07642	13.9
150.08794	1.0
151.03922	0.8
157.06488	1.5
161.04483	0.8
162.07639	1.8
163.06073	2.8
165.09135	40.0
166.06329	0.5
169.05002	2.3
175.05978	0.6
175.07503	0.7
177.05492	0.7
177.09142	1.2
180.08708	1.7
187.05984	0.9
189.09122	4.5
190.06316	0.5
193.04951	0.6
195.06508	0.5
199.07678	0.5
201.09094	3.5
203.10614	0.6
205.07053	1.4
205.08765	0.9
207.10191	4.2
211.06009	0.9
215.10774	0.9
223.06129	2.2
223.07883	0.5
229.07074	0.9
231.10197	2.5
241.07086	4.4
243.10254	3.4
259.08170	15.0
261.11282	4.7
277.09158	4.8
279.12289	1.2
294.11780	1.4
295.10291	13.7
310.27957	0.4
312.12851	1.0
476.21182	2.9
665.70282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6313
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.2
67.05510	35.2
69.03416	2.1
69.06731	0.7
69.07076	11.0
69.80453	2.5
71.04991	0.9
71.08640	19.1
73.02933	4.3
75.04477	0.6
79.05502	20.7
79.99030	0.5
81.03411	1.2
81.07063	41.9
82.70635	0.5
83.04967	0.8
83.08626	11.5
85.02911	16.3
85.06554	1.5
85.09727	0.8
85.10192	11.1
89.06002	1.2
91.03967	11.2
91.04988	0.8
91.05492	11.1
93.07050	27.3
95.04959	1.6
95.08613	39.2
97.02895	7.2
97.06517	1.6
97.10184	4.9
98.20849	0.9
99.04469	1.0
99.08099	0.8
99.11716	0.7
103.07568	0.5
104.92316	0.5
105.07038	7.6
107.08606	15.0
107.82520	0.5
109.06498	0.8
109.10165	18.3
111.08095	0.7
111.11785	1.2
113.09697	0.7
115.03944	1.0
117.07034	3.5
119.08587	7.9
121.09325	1.0
121.10152	13.9
123.11709	7.7
125.13235	0.6
127.03922	4.1
131.08585	6.8
131.13155	0.5
133.10155	6.5
135.11703	10.1
137.13211	2.6
137.22534	0.6
145.04947	5.4
145.10103	5.4
147.11702	4.8
149.09587	0.8
149.13266	7.1
151.11192	0.7
151.14827	1.2
159.11667	4.7
161.13303	5.0
161.78119	0.5
163.06047	6.8
163.14835	4.7
165.12749	0.6
173.13261	4.9
175.14813	1.7
177.12752	0.5
177.16357	1.5
180.08495	0.6
187.14874	3.8
201.16406	0.8
233.22609	1.9
234.46008	0.5
239.23550	2.7
243.21092	7.8
257.24808	1.5
261.22159	39.1
279.23190	0.9
299.23907	0.6
313.27390	100.0
314.27734	1.2
317.24774	5.3
335.25824	78.9
336.25885	0.9
403.06726	0.6
497.31412	0.6
499.45154	1.0
573.48822	47.7
574.49115	0.9
591.49811	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	930.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.1
67.05511	51.3
69.03448	3.4
69.07076	7.1
70.06560	0.6
71.01341	0.8
71.05006	4.6
71.08640	17.8
73.02871	1.6
73.07656	0.5
78.64291	0.5
79.05499	5.8
79.18403	0.4
81.03425	4.1
81.07064	17.2
83.04946	2.0
83.08629	12.7
85.02913	8.3
85.06510	2.0
85.10189	10.9
86.29525	0.5
87.04476	42.9
89.06022	1.2
91.03960	4.1
91.05492	4.1
93.07050	3.4
95.04967	1.2
95.08615	18.6
95.98734	0.6
97.02413	0.5
97.02895	5.5
97.06519	1.1
97.10182	10.0
98.20804	1.2
99.04462	6.6
99.08130	0.5
101.05946	0.7
103.07577	0.8
105.07006	1.2
107.04935	1.4
107.08613	4.5
109.02847	0.8
109.06461	0.8
109.10165	51.7
111.04404	1.6
111.08051	1.8
115.03925	1.2
117.06989	0.6
119.08607	3.9
121.10133	1.4
123.11731	2.4
125.09657	4.2
127.03923	3.0
131.08505	1.0
135.11716	0.9
137.09579	2.1
137.13194	1.2
145.04919	2.2
145.10056	0.9
151.14801	0.6
153.12640	1.1
155.10683	4.2
163.06004	2.2
163.11150	0.9
168.97034	0.6
173.04422	0.9
173.11757	16.3
173.89523	0.5
181.12231	0.6
191.10645	0.8
193.12257	1.2
199.13289	6.0
200.94839	0.7
209.11559	1.1
227.12727	1.7
229.14374	57.9
230.14700	0.5
239.23808	3.4
241.14304	1.4
257.13858	2.3
257.24753	0.8
265.14468	0.5
267.15918	3.9
283.15527	1.3
313.27383	71.4
314.27866	0.7
315.18042	9.2
341.26895	5.4
402.46564	0.6
408.33783	0.5
437.36246	2.8
455.37390	9.5
467.37369	100.0
468.37723	2.1
505.38855	3.5
521.38287	0.7
539.39508	0.9
553.40906	2.0
571.42188	1.1
576.55646	0.6
595.53174	0.6
715.45892	0.9
719.51294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	0.8
67.05508	46.5
69.03441	2.6
69.07079	5.2
69.48901	3.6
71.04996	3.6
71.08637	14.0
73.02904	2.0
79.05493	5.4
81.03426	4.0
81.07058	16.3
83.04962	2.1
83.08621	11.4
85.02915	7.4
85.06528	1.4
85.10186	9.0
87.04474	36.5
88.95757	0.5
89.06028	1.0
91.03978	2.8
91.05489	3.2
93.07047	3.0
95.04977	1.6
95.08613	14.2
97.02901	4.6
97.06526	0.5
97.10172	9.0
99.04458	6.9
101.05976	0.5
105.07022	0.9
107.08595	3.3
109.10164	44.3
111.04448	0.6
111.08079	1.6
116.07103	0.6
119.08595	4.7
121.06516	0.6
121.10159	1.2
123.11699	2.7
125.09631	4.8
127.03915	1.8
137.09650	1.5
137.13293	0.6
143.10689	0.6
145.04935	1.2
145.10147	1.2
151.28165	0.7
155.10701	3.6
163.06006	1.1
163.11244	1.1
173.11751	14.3
188.17973	0.6
191.10696	0.6
193.12320	0.7
199.13278	5.4
209.11694	0.7
227.12875	1.9
229.14362	57.5
239.23729	3.2
241.14291	1.1
257.13870	2.1
257.24762	1.7
267.15982	3.1
283.15475	1.5
313.27380	64.0
314.27707	0.6
315.18024	8.9
315.21454	0.7
325.94138	0.5
327.29037	1.3
341.26920	5.4
383.23529	0.7
437.36224	2.1
455.37399	9.2
467.37360	100.0
468.37546	2.2
477.22971	0.6
505.39011	3.1
521.38770	0.6
539.39014	1.2
553.41016	0.9
571.42218	2.1
688.97064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.7
67.05511	46.1
69.03423	3.9
69.07080	9.6
71.04998	9.7
71.08636	24.5
72.15926	0.8
73.02908	3.5
79.05500	13.1
81.03419	6.2
81.07066	25.6
83.04984	4.0
83.08622	19.1
85.02913	12.2
85.06538	3.3
85.10192	12.1
87.04475	27.6
89.06049	1.3
91.03944	5.1
91.05487	4.7
93.07046	5.5
95.04971	2.1
95.08615	22.3
97.02891	7.1
97.06540	1.7
97.10181	20.2
97.32750	1.0
99.04466	19.9
105.07039	2.0
107.04940	2.4
107.08605	8.2
109.02911	1.9
109.06493	1.1
109.10164	39.0
111.04446	2.9
111.08066	2.9
111.11700	0.8
113.62341	1.0
115.03903	1.4
117.07037	1.5
119.08598	3.0
121.10146	1.9
123.11723	3.6
125.09642	16.4
127.03910	2.1
131.08612	1.9
135.11734	1.7
137.09642	2.2
137.13248	0.9
143.10690	2.3
145.04987	2.1
145.10123	2.9
149.09558	0.9
151.14818	1.1
153.12799	2.1
155.10709	2.9
157.12283	1.3
163.06064	2.2
163.11227	3.8
173.11752	9.9
181.12238	1.4
189.11208	1.6
191.10620	2.3
193.12268	1.4
199.13306	20.4
209.11746	2.6
217.14398	1.2
223.13397	2.4
227.12749	7.2
229.14374	47.5
239.23775	4.3
241.14397	6.9
257.13824	1.2
257.24817	1.7
265.14334	1.1
267.15918	6.6
283.15469	4.8
301.16434	1.8
313.27390	100.0
314.27661	1.6
315.18030	20.6
327.28931	5.8
333.19052	2.9
341.26990	6.5
437.36209	10.6
455.37378	46.8
467.37396	64.1
468.37448	1.5
469.38248	1.3
505.38953	4.5
521.38336	3.0
539.39111	3.5
553.40948	9.7
571.42212	12.5
760.59985	1.1
914.68573	1.1
944.43823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
65.43132	0.7
67.05495	1.8
69.03427	1.0
70.06569	1.8
71.07381	7.4
72.08160	13.6
79.05494	6.1
81.03427	1.4
81.07065	5.0
91.05463	2.0
93.03373	0.8
95.04973	2.3
95.08602	1.4
96.04498	1.9
105.07001	1.2
107.04955	3.4
109.06493	1.0
110.06040	1.5
111.06810	0.9
113.08435	1.0
119.04933	2.8
120.08062	0.9
121.02863	1.2
121.06506	0.9
123.04430	0.8
124.05226	0.8
124.07590	2.5
131.08549	0.9
133.06480	0.8
135.04439	1.1
137.05943	2.3
139.09935	19.2
141.05412	0.9
143.04935	1.1
143.08626	1.0
151.03918	50.9
151.05025	3.3
155.08534	1.2
157.06514	1.0
159.08069	1.8
161.06009	1.0
163.03879	2.2
165.07047	1.1
166.07680	0.9
168.55870	0.8
169.06476	0.9
171.04446	2.3
173.05974	1.0
177.05328	0.9
178.12317	2.3
181.10110	1.8
183.11703	1.4
187.03946	0.8
193.10185	1.5
201.05341	2.0
205.05040	1.4
209.09685	2.6
211.07561	1.0
213.01764	1.0
213.05461	1.5
217.04991	2.0
219.06485	2.4
221.09666	1.4
225.05382	1.3
227.03458	2.1
229.04976	5.8
233.04378	1.0
237.05553	0.9
239.07108	1.2
241.05153	1.0
247.05617	1.0
247.07581	2.6
248.08150	0.9
249.09175	1.4
257.07974	0.9
261.09244	1.4
263.10782	0.9
275.07089	3.0
275.59525	0.9
277.08530	1.3
279.10233	1.7
281.08099	1.0
283.06161	0.9
289.08682	1.0
291.06531	0.9
292.07394	1.9
295.09375	0.9
297.11133	0.8
299.07034	1.4
303.06641	1.0
305.08142	1.5
307.09570	3.6
309.07690	1.4
315.10434	0.9
319.09708	0.9
320.06912	0.9
325.10742	2.7
327.13455	0.9
331.09860	1.0
333.03937	1.7
333.07669	1.6
334.04797	1.0
335.09256	2.3
337.06802	1.0
348.06354	2.4
349.06848	0.9
350.07791	1.7
351.08578	1.6
352.05801	1.2
359.09271	2.4
362.04144	11.2
363.08667	11.4
365.06601	2.4
365.10339	2.4
366.07382	3.0
367.08029	7.3
375.08853	1.2
376.05710	5.3
377.06564	53.1
378.07135	3.8
379.08163	5.9
380.08929	12.0
381.09711	7.6
382.07019	1.1
387.08676	9.5
390.07373	2.8
391.08087	18.9
391.12967	1.1
392.08966	3.5
393.09702	26.3
393.14816	1.7
394.10468	6.8
395.11322	2.0
396.18158	1.1
401.10162	2.3
402.11172	1.7
403.07761	1.1
405.09644	8.9
412.09439	1.3
415.11508	1.2
419.11334	1.2
421.12897	2.9
427.11868	4.0
429.13644	1.3
431.11450	1.6
443.15277	6.1
444.15570	1.8
445.12906	3.6
446.13519	2.0
447.14435	1.2
453.13403	2.3
455.11374	4.6
459.14236	2.5
461.16080	4.7
471.14401	5.4
473.12482	8.9
474.13257	1.3
487.13763	1.8
488.14542	3.7
489.15503	16.6
526.18475	1.8
544.19653	10.3
558.21265	22.2
559.22028	58.0
560.22821	100.0
561.22821	1.8
577.23090	29.7
578.23865	35.1
738.25439	14.6
912.30664	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	3.0
67.05511	61.8
69.03426	3.5
69.06724	1.4
69.07076	16.7
70.06587	3.1
71.01338	1.5
71.04993	2.7
71.51993	1.2
73.02930	1.9
77.03931	0.9
79.05501	50.9
81.03426	86.4
81.07064	73.2
82.93009	0.8
83.04982	6.7
83.08147	1.8
83.08626	25.2
85.02908	9.5
85.06557	2.6
91.03982	6.5
91.05492	39.8
93.07052	52.8
95.04977	34.0
95.08613	49.0
97.02900	9.4
97.06509	6.1
97.09171	0.8
97.10184	9.0
99.08078	1.6
105.04532	1.4
105.07043	29.1
107.04967	7.3
107.08607	31.5
109.06541	5.0
109.10168	24.1
111.04439	2.2
111.08084	7.6
111.11752	1.3
115.05473	2.7
116.06277	1.0
116.07089	3.5
117.07035	10.3
119.04945	2.2
119.08591	28.7
121.06517	5.4
121.10152	27.9
123.04443	2.6
123.08069	3.9
123.11725	8.7
125.09652	7.3
127.03923	2.7
129.07014	12.0
130.07848	1.0
131.08585	25.2
133.06526	5.5
133.10143	18.5
135.08067	3.4
135.10722	1.1
135.11710	18.9
137.05862	1.0
137.09610	3.7
137.13263	3.6
139.11197	1.4
142.07788	2.4
143.08582	3.1
145.04951	3.3
145.06465	1.4
145.10130	14.1
147.04391	1.4
147.08060	3.6
147.10533	1.0
147.11696	17.6
149.09608	6.9
149.13274	9.8
151.11118	1.1
155.08560	1.6
157.10147	13.2
159.11713	9.1
161.09605	1.6
161.13255	7.9
163.06085	5.0
163.11224	4.0
163.14896	4.0
165.12761	2.8
167.08534	1.0
169.10095	1.5
171.11674	3.6
173.09613	1.3
173.13235	7.8
175.11209	9.4
175.14821	3.0
177.12787	1.5
177.16298	0.8
181.10117	1.0
181.12198	0.9
183.11757	1.3
185.13329	1.8
187.11192	1.0
187.14812	4.6
189.11252	4.3
189.16328	1.2
193.12256	24.0
195.11812	1.1
195.13737	0.7
197.13155	1.4
199.14893	2.0
201.16483	0.9
203.14398	1.0
205.12250	1.2
211.13316	2.7
215.17932	1.2
223.13130	1.2
227.12767	8.9
229.14381	1.3
233.15540	1.0
233.22864	1.0
235.13374	2.2
241.14339	1.1
243.21127	7.6
249.14879	3.1
259.13245	1.3
259.20572	1.6
261.22174	22.8
267.15942	98.3
268.16440	1.5
271.20700	0.9
273.14819	1.4
275.20135	1.0
279.23221	1.6
285.16641	1.0
285.22089	1.9
287.23856	1.3
289.21634	1.2
299.23486	1.8
301.14334	1.8
301.25183	7.8
309.17056	4.6
309.20117	0.9
317.21149	1.1
317.24817	3.7
319.15445	2.0
333.16974	0.9
333.24304	2.1
335.25839	100.0
336.26151	2.1
345.24307	1.1
359.25751	2.0
363.25272	1.1
393.19196	1.1
400.01132	0.8
401.49915	1.1
403.24808	1.2
417.31381	1.1
421.25879	3.3
435.27289	2.9
435.32590	6.2
449.29144	1.9
453.33673	10.2
471.34760	5.7
475.30643	1.6
494.78207	0.8
509.36465	1.6
517.38086	1.0
527.37360	80.0
528.37653	1.3
535.47321	1.0
540.72180	0.9
545.38422	97.9
546.38684	2.8
563.39587	7.7
569.38477	11.7
587.39398	2.1
593.37866	1.0
611.39142	2.4
623.39020	2.9
635.39502	3.5
653.40302	2.8
671.41821	4.1
922.47858	2.7
950.03589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	4.9
66.34869	1.0
67.05510	71.0
69.03423	4.6
69.07074	18.0
71.01347	1.4
71.04976	4.1
71.52339	1.5
73.02921	6.5
79.05500	54.7
81.03423	11.0
81.07064	69.0
83.04995	14.5
83.08630	14.0
85.02454	1.5
85.02915	20.3
85.06526	3.6
91.03961	10.2
91.05485	38.4
92.86755	1.2
93.07050	64.5
95.04980	12.3
95.08618	48.5
97.02897	16.9
97.06542	9.4
97.10159	5.0
99.04458	3.8
99.08076	2.4
103.05482	1.9
105.04452	1.1
105.06406	1.9
105.07043	24.8
107.04965	13.8
107.07882	1.9
107.08604	38.2
109.02849	3.5
109.06531	6.1
109.09468	2.0
109.10167	25.7
111.04456	10.4
111.08089	5.2
115.05455	1.3
117.07021	16.0
119.07802	1.9
119.08591	21.9
121.06503	4.0
121.10155	29.3
123.04395	1.5
123.08066	5.6
123.11709	7.3
125.05973	1.9
125.09630	4.7
127.03900	5.3
129.07014	5.4
130.07782	2.4
131.04922	1.6
131.08575	22.2
133.10135	17.4
135.08067	4.9
135.11705	24.9
137.09601	4.6
137.13307	2.2
139.11168	3.0
143.08574	5.2
145.04932	4.1
145.06461	3.0
145.10124	24.4
147.08047	5.0
147.11676	9.3
149.09590	5.6
149.13316	9.5
151.11186	2.2
153.12762	4.1
155.08560	5.5
157.10124	3.1
159.08064	1.7
159.11694	11.0
161.09711	1.4
161.13264	5.3
163.05994	3.9
163.07480	1.0
163.11174	25.3
163.14851	2.2
165.09140	1.1
169.10135	3.0
171.08032	1.7
171.11688	3.2
173.09625	5.0
173.13229	7.5
175.11137	2.1
175.14813	1.7
177.12758	1.5
181.12267	5.4
183.11671	3.1
185.13274	2.3
187.14801	4.0
189.11209	1.8
191.10690	7.6
195.11661	1.6
209.11722	23.4
209.13608	1.5
217.15877	1.2
227.12759	9.4
229.14323	2.3
239.14337	1.4
241.19540	1.5
243.21141	3.6
253.14326	3.5
259.20590	2.5
261.22189	12.9
265.14359	1.4
267.15915	2.2
269.17477	1.5
273.22171	2.8
283.15424	45.6
285.17068	2.1
299.14835	1.8
299.23727	1.5
301.16476	23.1
315.23233	1.7
317.24857	1.3
333.24155	4.0
335.25830	64.0
336.26196	1.4
339.23053	1.1
365.11386	1.3
415.29242	1.4
433.31024	5.0
451.32162	10.8
469.33377	8.7
487.34338	2.0
507.34619	2.8
515.37341	2.7
525.35809	24.2
542.09698	1.4
543.36847	100.0
544.37085	2.1
561.37891	38.6
562.38647	1.9
705.41827	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	1.2
69.03440	2.8
69.07087	0.7
69.57548	0.5
69.57957	1.6
71.01379	0.4
71.05009	0.8
71.08649	1.0
73.02933	2.7
79.05512	1.0
81.03425	2.9
81.07065	1.5
83.08627	0.9
85.02913	4.7
85.10188	0.5
91.03949	1.8
91.05488	0.9
93.07076	0.4
95.05033	0.5
95.08636	1.2
97.02903	4.9
97.06596	0.4
98.21497	0.4
99.04464	0.7
101.02400	1.5
103.03955	0.3
105.07063	0.7
107.08617	0.6
109.02915	0.8
109.06505	0.3
109.10178	0.5
115.03979	0.3
119.08597	0.6
121.10170	0.6
126.88152	0.3
127.03890	1.6
131.08604	0.5
145.05005	0.5
147.11754	0.4
147.89148	0.3
149.09686	0.9
157.10204	0.4
165.70309	0.3
172.06758	0.3
175.11261	0.7
185.04332	0.6
188.80360	0.3
193.12279	0.9
203.05319	0.7
243.08459	1.8
247.69179	0.4
267.16037	0.5
283.15265	2.3
313.27478	1.1
319.93292	0.3
325.80371	0.3
339.17880	0.6
347.09616	2.4
365.10818	1.2
405.13724	5.0
405.18408	0.3
464.38235	0.4
469.20212	0.4
497.30902	4.9
501.23065	9.4
659.36127	5.1
663.28418	9.6
702.38843	0.4
757.46759	2.8
883.58960	0.3
919.52472	100.0
920.52844	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	918.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03896	0.4
67.05410	11.0
67.05809	1.7
67.86069	0.4
69.03331	2.9
69.06973	3.4
69.07375	1.0
69.68606	2.6
70.06524	1.1
71.04900	2.7
71.05326	0.8
73.02868	0.5
78.88145	0.4
79.05389	14.5
79.05901	1.7
81.03313	37.4
81.06951	13.9
81.07461	1.4
83.04881	3.7
83.08512	10.6
83.09050	0.9
85.02803	2.3
85.06454	1.2
86.09637	0.5
91.03878	0.9
91.05370	11.8
91.05996	1.0
93.06938	11.2
93.07559	1.0
95.04858	14.0
95.05521	0.9
95.08494	6.3
97.02884	2.0
97.06413	3.1
97.10058	10.9
97.10736	0.7
99.04391	0.4
99.08021	0.6
103.05408	0.7
105.06911	9.9
107.04965	10.5
107.08475	10.5
109.02786	0.7
109.06521	6.8
109.10166	4.3
111.04306	1.3
111.08089	4.0
113.05947	0.8
115.05328	1.5
117.07021	4.4
119.04854	1.2
119.08596	7.9
121.06509	8.0
121.10155	6.6
123.04451	2.5
123.08092	3.1
123.11620	0.7
125.05906	0.8
125.09639	11.4
125.10486	0.5
127.03867	0.4
128.06114	0.7
129.07016	5.5
131.04802	1.5
131.08577	6.9
133.06505	3.5
133.10150	3.7
135.04341	0.7
135.08072	4.4
135.11555	1.7
137.05878	1.7
137.09477	1.8
139.03822	1.0
139.11055	0.6
141.06903	1.0
142.07680	1.1
143.08563	2.3
145.06490	5.2
145.10138	4.0
147.04277	1.4
147.08051	4.5
147.11711	4.9
149.05890	1.1
149.09616	4.4
151.03716	0.5
151.07414	0.8
153.09099	2.4
153.12640	1.3
155.08411	1.6
157.06384	1.4
157.10146	6.4
159.08028	2.4
159.11578	1.7
161.05930	1.1
161.09671	2.2
161.13197	0.5
163.05911	0.9
163.07523	0.5
163.11197	3.6
165.12622	1.5
167.08501	0.6
167.10591	1.1
169.06432	0.8
169.09988	1.7
171.07927	1.5
171.10016	1.2
171.11571	1.9
173.09633	2.2
173.11751	0.4
173.13191	0.9
175.07487	0.7
175.11205	5.4
175.91098	0.4
177.12654	1.0
181.10031	1.0
183.07968	0.7
183.11618	0.9
185.09627	1.0
185.13126	1.3
187.11040	1.2
187.14728	0.8
189.09550	0.6
189.11098	6.0
189.12737	1.5
191.10590	0.9
191.14183	1.2
193.12245	17.1
195.07950	0.8
195.11728	0.8
197.09468	1.3
197.13191	1.0
199.11067	2.1
199.12997	0.8
201.12709	0.5
205.12122	1.5
209.13210	0.8
211.11313	0.5
211.13220	1.6
213.12642	1.5
215.14345	3.0
217.12234	1.0
219.13727	1.7
223.11172	1.0
223.13210	1.6
225.12706	0.9
227.12494	2.0
229.14232	0.7
231.13675	1.3
233.15413	4.0
235.13158	1.4
237.12592	1.3
237.14839	0.8
243.13768	0.7
245.15424	0.8
249.14735	1.5
250.72017	0.4
255.13680	1.7
259.13168	1.4
267.15936	44.1
269.15210	0.4
271.16846	0.6
273.14810	6.9
287.16348	1.0
289.14578	0.6
291.15820	0.8
293.17438	1.1
309.16940	1.1
331.20639	0.6
339.23135	2.6
349.21606	4.7
357.24365	2.0
367.22675	11.1
385.23746	18.9
403.24857	5.6
417.26102	0.8
423.25052	0.6
441.26471	10.1
459.27441	99.9
460.27808	1.3
477.28519	100.0
478.28879	1.7
491.30096	12.5
501.28351	6.5
509.31357	5.0
513.28632	1.9
519.29706	1.2
531.29639	1.8
541.33789	0.6
543.29437	2.4
555.29486	1.0
560.10779	0.5
567.29645	5.2
573.31073	0.9
585.30151	2.4
598.26288	0.5
603.31775	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.5
67.05513	47.4
69.03431	2.8
69.06731	0.8
69.07076	11.6
69.32146	3.7
71.01349	1.1
71.04992	2.0
71.08640	21.1
73.02925	2.3
79.05505	12.4
81.03434	5.5
81.07065	23.2
83.04985	4.0
83.08150	0.9
83.08629	16.2
83.09122	0.8
85.02914	16.9
85.06555	1.9
85.09732	0.7
85.10197	13.2
87.04476	5.5
89.06038	1.1
91.03973	4.5
91.05489	5.7
93.07047	4.7
95.04958	1.3
95.08617	21.0
97.02899	5.5
97.06528	2.0
97.10181	23.3
99.04457	1.1
99.08109	0.8
99.11715	0.8
103.03943	1.6
103.07604	1.3
105.07040	2.0
107.04963	1.9
107.08607	8.3
109.02948	0.9
109.06525	0.9
109.10168	37.0
111.04447	1.3
111.08073	1.8
111.11694	1.2
111.82202	0.5
117.07032	1.1
119.08582	3.9
121.10165	2.3
123.08063	0.8
123.11723	3.5
125.09641	19.6
125.10577	0.9
127.03923	1.4
129.05525	0.5
129.07021	0.8
131.08574	1.2
133.10187	1.1
135.11682	1.6
137.09641	1.5
137.13301	0.9
143.10741	3.2
145.04938	1.8
145.10143	2.6
147.08133	0.5
149.09625	0.6
151.14896	0.7
153.12770	2.0
155.10664	3.6
163.06070	1.5
163.11214	3.2
169.12311	0.7
173.09578	0.8
173.11769	8.6
181.12242	1.4
183.53954	0.5
191.10683	2.2
193.12263	0.8
199.13318	11.7
209.11699	2.5
217.14401	1.0
227.12801	16.3
229.14377	48.3
239.23711	4.7
257.13895	1.5
257.24716	2.4
265.14520	1.2
267.15982	1.5
283.15396	4.3
301.16483	37.8
313.27396	100.0
314.27710	1.6
319.17725	2.2
341.26917	2.1
437.36316	7.0
455.37405	20.0
463.21732	1.1
467.37405	29.1
505.38950	1.0
521.38446	1.8
539.39484	22.2
557.40582	11.0
673.59424	0.5
701.44537	1.9
705.28900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.2
67.05511	40.7
69.03436	3.5
69.07076	9.9
71.01357	1.1
71.05018	1.9
71.08640	20.1
71.13339	0.3
73.02917	3.0
79.05498	12.4
81.03426	4.4
81.07064	23.2
83.04996	3.9
83.08624	16.6
85.02913	20.5
85.03665	0.5
85.06560	1.9
85.10189	13.0
87.04479	5.5
87.34557	0.4
89.06018	1.3
89.54928	0.3
91.03967	5.8
91.05482	4.6
93.07052	4.2
95.04986	1.8
95.08615	20.9
97.02898	6.1
97.06541	1.8
97.10180	20.7
98.20914	1.9
98.21620	0.7
99.04448	1.1
99.08050	0.5
99.11732	0.7
101.02400	0.6
101.06030	0.5
103.03953	1.3
103.07597	1.1
105.07022	1.7
107.04973	1.4
107.08604	7.3
109.02885	0.9
109.06485	0.5
109.10166	36.2
111.04440	1.1
111.08102	2.0
111.11677	0.9
115.03967	0.4
117.06998	1.4
119.08598	3.1
121.10126	1.7
123.08038	0.5
123.11710	2.7
125.09644	17.6
125.10567	0.9
127.03925	2.6
129.05528	0.5
129.07010	0.5
131.08557	0.8
133.10132	0.7
135.08035	0.5
135.11690	2.4
137.09615	1.5
137.13235	1.3
139.11180	0.7
141.51128	0.4
143.10706	3.3
145.04987	2.1
145.10118	1.6
147.08099	0.7
149.09604	0.5
151.11197	0.5
153.12732	1.3
155.10680	2.5
157.10057	0.4
163.06023	2.7
163.11200	3.5
169.12184	0.5
173.09637	0.9
173.11757	8.6
180.08650	0.7
181.12289	1.2
191.10719	1.4
193.12306	0.6
199.13306	12.2
207.75928	0.4
209.11714	3.7
211.13365	0.4
217.14381	1.2
221.22760	0.4
227.12810	11.0
229.14375	48.3
233.93127	0.4
239.23730	4.1
257.13840	1.1
257.24759	1.6
267.16083	2.1
283.15421	4.5
301.16483	32.7
313.27390	100.0
314.27658	1.1
319.17545	1.6
341.26971	1.6
389.69913	0.4
394.20911	0.4
437.36249	5.8
455.37378	18.2
463.21710	0.8
467.37393	27.9
468.36612	0.4
475.66312	0.5
503.37524	0.6
505.39038	1.2
521.38593	2.0
539.39484	20.3
557.40503	5.5
701.44244	1.5
734.52899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.1
66.62062	0.3
67.05509	41.5
69.03440	2.7
69.07072	9.5
71.01351	1.1
71.04994	2.0
71.08636	18.4
73.02916	2.4
75.04462	0.5
79.05076	0.6
79.05501	9.9
81.03421	3.8
81.07062	21.7
82.09836	0.3
83.04990	3.1
83.08624	14.3
85.02910	16.5
85.06527	1.3
85.10187	12.3
87.04475	4.6
89.06025	1.4
91.03970	4.4
91.05484	5.1
93.07058	3.9
95.04971	1.6
95.08614	18.5
96.04501	0.4
97.02892	5.7
97.06528	1.5
97.10178	18.4
99.04448	0.9
99.08085	0.5
99.11703	0.8
101.09679	0.4
103.03930	1.3
103.07591	1.1
105.07020	1.2
107.04945	1.2
107.08598	6.7
109.02885	0.5
109.06493	0.5
109.10163	36.4
111.04440	0.6
111.08070	1.3
111.11729	0.7
113.05984	0.4
115.03946	0.4
117.07030	0.7
117.09077	0.5
119.08588	2.9
121.10131	2.6
123.08107	0.3
123.11698	2.4
124.61104	0.3
125.09641	13.9
125.13249	0.8
127.03916	1.5
129.06950	0.5
131.08548	0.4
133.10117	1.0
135.08133	0.5
135.11710	1.7
137.09593	1.8
137.13255	1.0
143.10678	3.3
145.04967	1.7
145.10172	2.0
149.09666	0.7
151.11156	0.4
153.12756	0.7
155.10692	3.1
163.06007	1.6
163.11238	2.5
165.16434	0.4
169.12302	0.4
173.09544	0.5
173.10161	0.4
173.11736	8.9
181.12239	1.0
189.11238	0.5
191.10692	1.1
193.12280	0.9
199.13315	11.0
199.15070	0.4
199.41724	0.3
209.11777	3.5
217.14307	0.8
221.22600	0.4
227.12764	5.4
229.14365	57.8
233.35255	0.4
239.23776	3.2
245.13814	0.4
247.05879	0.3
257.13831	1.4
257.24814	2.1
265.14383	0.7
267.15961	2.0
283.15427	4.5
299.15057	0.5
300.15320	0.9
301.12958	0.5
301.16486	26.4
313.27380	100.0
314.27835	1.6
319.17206	0.5
331.28418	0.3
341.26862	1.6
379.00809	0.4
389.17972	0.4
424.71246	0.4
437.36310	6.5
445.98956	0.3
455.37381	14.5
463.21600	1.4
467.37369	37.6
468.37888	0.5
483.36877	0.6
505.38950	1.8
521.38525	2.7
539.39453	16.0
557.40350	3.3
701.44232	2.3
729.68994	0.4
799.01294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.4
67.05509	11.0
69.03430	1.8
69.07072	5.2
70.96529	0.4
70.96874	0.5
71.05000	1.0
71.08639	16.4
73.02921	1.4
79.05498	6.3
81.03426	49.1
81.07063	14.7
83.04977	2.7
83.08628	16.5
85.02914	4.2
85.06538	1.0
85.10192	9.4
89.06027	1.0
91.03974	3.4
91.05492	9.1
91.05912	0.2
93.07054	5.0
95.04980	14.8
95.08614	13.6
97.02907	3.3
97.06538	0.9
97.10178	3.9
99.04469	0.4
99.08145	0.6
99.11749	0.5
103.07585	1.0
105.07049	6.8
105.07697	0.6
107.04971	3.7
107.08609	2.2
108.05700	0.4
109.02896	0.7
109.06557	1.8
109.10174	6.4
111.04453	1.3
111.08085	3.9
111.11732	0.6
115.05470	1.0
117.07022	1.0
119.04933	0.6
119.08599	6.8
121.06546	1.9
121.10158	3.8
123.04422	1.5
123.08065	1.1
123.11727	2.9
125.02438	0.5
125.09622	0.7
125.13251	0.4
127.03940	1.0
128.06258	0.5
129.07011	5.1
131.04926	0.7
131.08583	5.2
133.06522	2.3
133.10132	3.0
135.04451	0.4
135.11691	0.6
137.05966	1.4
137.09639	1.1
137.13315	1.1
142.07782	1.2
145.04988	1.2
145.06520	1.0
145.10153	0.8
147.04489	0.6
147.08095	1.5
147.11699	4.5
149.09624	2.9
149.13251	0.3
151.03989	0.5
151.07552	11.1
151.11261	0.4
151.14795	0.6
155.03419	0.7
157.06544	0.4
157.10141	6.8
158.07352	0.5
161.06020	0.6
163.06052	3.3
163.11224	1.0
165.12778	1.3
173.05980	0.6
173.09694	0.5
174.06767	0.5
175.07599	1.1
175.11215	5.5
176.08296	0.3
187.07620	0.5
188.08347	1.2
189.09126	4.6
189.12761	0.4
191.10680	0.4
193.12259	22.8
196.08899	0.4
201.09172	0.8
201.18385	0.3
202.09877	0.5
203.10637	1.6
205.12291	0.4
211.13268	1.2
213.09155	0.5
215.10550	0.3
219.10231	2.1
221.22554	0.4
225.14940	0.6
226.10057	0.4
227.10664	0.5
227.14345	0.3
231.10199	2.1
231.13712	0.5
235.13361	1.4
239.23653	1.9
241.12314	0.3
249.11275	2.5
249.14871	1.3
257.24722	2.1
259.13348	1.5
267.15939	100.0
268.16287	0.9
273.14792	0.5
281.11890	0.3
301.14328	1.7
309.16968	2.6
313.27390	94.8
314.27756	0.8
319.15427	0.9
333.17142	0.7
357.13391	0.9
375.18146	0.7
385.12863	1.7
393.18970	0.4
505.38931	83.8
506.39185	1.2
523.40149	4.0
547.40033	6.4
565.40869	0.9
589.40851	1.3
601.41132	2.9
613.41064	1.5
631.42035	2.9
649.42950	1.7
903.68298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.9
67.05512	29.2
69.03435	2.0
69.06741	0.7
69.07075	9.6
71.05009	2.3
71.08621	0.5
73.02887	1.6
79.05501	30.4
81.03427	3.4
81.07065	36.3
83.04996	3.0
83.08627	8.2
85.02899	3.1
85.06552	0.9
91.03977	2.1
91.05489	13.7
91.32533	0.4
93.07054	42.7
95.04980	5.3
95.08617	44.9
97.02904	4.7
97.06540	3.6
97.10156	2.0
99.04459	3.1
99.08133	0.4
103.05417	0.6
105.04481	0.8
105.07041	10.9
107.04967	6.5
107.08606	29.1
109.02825	0.5
109.06539	2.2
109.09478	0.7
109.10166	9.2
111.04420	1.3
111.08066	1.8
117.07024	8.5
119.08593	11.4
121.06522	4.4
121.10157	18.6
123.08044	0.5
123.11700	2.1
124.24804	0.4
125.06017	2.3
125.09605	0.5
127.03922	1.0
129.06978	0.7
130.07770	1.6
131.08582	4.1
133.10164	6.2
135.08081	1.7
135.11705	45.3
137.13266	1.0
139.07494	1.3
145.04916	0.5
145.10141	28.5
147.11746	3.0
149.09537	0.4
149.13293	2.9
151.07573	0.7
153.12721	1.0
159.11713	2.1
161.13232	1.6
163.11198	51.4
163.14864	1.2
173.09624	1.1
173.13249	1.7
175.14827	0.7
177.16411	0.8
179.14346	0.4
181.12259	9.5
187.14854	0.8
193.12375	0.5
201.16516	0.5
209.11713	1.6
227.12802	62.8
243.21117	2.4
261.22168	7.5
267.15897	0.8
268.16376	1.0
269.17209	0.5
283.15430	100.0
284.15808	0.7
299.23557	0.4
313.27353	0.9
314.27728	1.0
317.24741	1.8
335.25836	86.4
336.26193	1.1
469.33224	0.6
505.38950	0.5
506.39154	0.5
507.40137	0.6
533.04230	0.5
543.36871	94.1
544.37231	1.7
561.37891	1.8
623.43781	0.5
678.72748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	0.7
67.05509	13.0
67.78432	0.4
69.03429	1.8
69.07072	7.2
69.80282	1.7
70.70514	0.4
71.04993	1.5
71.08636	21.0
71.75718	0.4
73.02931	2.4
79.05068	0.6
79.05495	6.8
81.03423	58.6
81.07059	17.9
83.04990	3.2
83.08626	18.5
85.02908	5.8
85.06559	0.6
85.10189	12.2
89.06039	1.2
91.03973	3.5
91.05489	10.5
93.07054	5.9
95.04372	0.8
95.04979	17.1
95.08614	17.5
97.02904	4.4
97.06540	1.7
97.10179	5.1
99.08090	0.6
99.11732	1.1
103.07595	1.1
105.07038	7.5
107.04971	3.8
107.08605	2.9
109.02928	0.6
109.06525	2.1
109.10168	7.3
111.04486	1.7
111.08088	5.0
111.11726	0.5
115.05415	0.5
116.06197	0.4
117.07017	1.2
119.04941	0.8
119.08590	9.3
121.06492	2.1
121.10143	3.9
123.04446	1.7
123.08087	0.8
123.11713	2.6
125.09663	0.5
125.13295	0.4
127.03940	1.4
128.06184	0.4
129.07027	6.5
131.08574	6.1
133.06485	2.7
133.10129	2.8
135.08066	0.7
135.11690	0.8
137.06013	0.4
137.09654	0.9
137.13263	1.5
142.07799	2.0
145.04977	2.1
145.10146	1.5
147.04440	1.0
147.08034	2.3
147.11690	5.6
149.09631	3.9
151.11259	0.4
155.08641	0.4
157.10136	8.3
161.09654	0.6
163.06044	3.5
163.11189	1.3
165.12791	1.1
173.15553	0.3
175.11200	7.5
188.04961	0.4
189.12723	0.5
193.12260	24.9
205.12256	1.1
211.13269	1.9
221.22792	0.4
235.13298	1.9
239.23727	2.5
249.14896	1.3
249.17467	0.3
257.24820	2.0
259.13303	1.3
267.15933	100.0
268.16190	0.9
273.14868	0.9
301.14429	2.0
309.16919	2.8
313.27380	98.8
314.27673	1.1
319.15271	0.7
345.25659	0.4
375.18015	0.6
393.18930	0.7
398.69354	0.4
484.26630	0.4
505.38916	82.0
506.39151	1.3
523.39996	2.9
547.39935	6.9
565.41541	0.9
571.39899	0.5
589.40863	1.4
601.40961	2.7
613.40967	2.0
631.41980	2.4
649.43280	2.2
665.57208	0.5
667.44757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	1.4
67.05509	31.9
67.05861	1.1
69.03385	1.5
69.07073	8.8
70.06570	0.5
71.04997	2.2
71.09355	0.5
73.02874	1.6
74.83364	0.3
75.07114	0.4
77.03886	0.5
79.05497	25.8
81.03376	1.8
81.07061	30.7
83.04988	2.1
83.08631	7.5
85.02906	2.6
85.06512	1.5
88.07626	2.2
90.91158	0.5
91.03919	1.6
91.05485	11.2
93.07050	35.9
95.04972	4.6
95.08611	36.4
96.08910	0.5
97.02887	4.7
97.06540	4.2
97.10120	1.4
99.04445	2.7
99.08047	0.6
105.04507	0.5
105.07033	9.4
107.04971	4.7
107.08600	26.4
109.06476	1.3
109.09473	0.7
109.10161	8.8
111.04423	0.9
111.08054	1.0
115.05386	0.5
117.06248	0.4
117.07027	6.5
119.08582	10.5
121.06528	3.4
121.10147	14.6
123.08047	0.9
123.11707	2.5
125.05964	1.8
127.03915	0.8
129.06979	0.7
130.07735	1.1
131.08546	4.3
133.10153	5.7
135.08009	1.3
135.11699	36.8
137.09653	0.5
137.13243	1.0
139.07515	1.4
143.08524	0.6
145.10132	21.3
147.11713	2.1
149.13257	2.3
151.07526	0.5
153.12715	0.4
159.11644	1.7
159.45308	0.4
161.13188	1.7
163.11189	39.2
163.14809	1.0
164.11417	0.4
166.04755	0.4
173.09518	0.5
173.13249	1.6
175.14851	1.1
177.16396	0.6
181.12262	7.1
187.14841	1.0
209.11719	1.5
227.12787	44.5
243.21042	1.8
244.25615	0.4
261.22159	6.0
268.16364	0.5
283.15414	53.1
313.27347	0.6
314.27731	0.6
317.24826	1.7
335.25809	93.0
336.26160	0.9
425.28787	0.5
469.32986	0.5
513.02429	0.5
543.36841	100.0
544.37573	2.1
561.38104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03961	0.4
67.05508	12.2
69.03429	1.8
69.07072	7.0
69.63841	2.4
70.06586	0.7
71.04991	1.5
71.08634	18.7
73.02920	1.9
74.75959	0.4
79.05492	6.9
81.03421	51.8
81.07059	16.1
83.04992	3.1
83.08623	17.3
85.02905	5.2
85.10187	11.7
89.06041	1.6
91.03955	3.7
91.05483	10.2
93.07054	4.9
95.04974	16.8
95.08611	15.9
97.02902	4.1
97.06523	1.1
97.10182	4.0
99.04429	0.6
99.08081	0.6
99.11743	0.5
99.67496	0.4
103.07584	1.0
105.04529	0.4
105.07037	7.9
105.42380	0.4
107.04958	3.8
107.08598	3.6
109.02937	0.6
109.06500	1.9
109.10169	8.0
111.04449	1.3
111.08073	5.5
111.11697	0.9
115.05442	0.7
117.07015	0.5
119.05001	0.5
119.08577	7.4
121.06544	2.0
121.10153	4.0
123.04442	1.3
123.08068	1.1
123.11702	3.0
125.09636	0.8
127.03922	1.4
129.07018	5.7
131.08582	5.3
133.06587	1.9
133.10130	2.6
133.22345	0.4
135.11699	0.8
137.05972	0.5
137.09637	1.2
137.13283	1.0
139.11174	0.5
142.07770	1.2
143.08534	0.5
145.04985	1.9
145.06487	0.5
145.10147	1.0
147.04411	0.9
147.08086	2.4
147.11682	4.8
149.09634	3.6
157.10149	6.5
159.11655	0.7
159.13867	0.4
163.06056	3.3
163.11197	1.2
165.12787	0.8
175.09660	0.4
175.11179	8.0
193.12262	23.0
205.12132	0.4
211.13351	1.7
235.13356	1.4
239.23662	2.0
249.14909	1.7
257.24710	2.1
259.13379	1.3
267.15924	100.0
268.16217	1.0
273.14914	1.0
285.16986	0.7
298.27347	0.5
301.14432	1.4
309.16977	2.9
313.27374	97.5
314.27786	1.4
319.15451	0.9
333.16888	0.4
375.18018	0.8
393.19031	0.6
442.37903	0.4
464.05371	0.4
505.38904	84.2
506.39322	1.1
523.40051	3.3
547.39844	5.1
565.41071	0.6
589.40918	0.8
601.41095	2.7
613.41016	1.3
631.41791	2.0
649.42981	1.3
744.60693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.1
67.05495	3.6
69.07061	2.2
69.46375	6.5
79.05499	5.5
81.03407	3.4
81.07059	37.7
83.04995	2.0
91.05480	2.8
93.07055	1.6
94.04166	2.6
95.04986	2.1
95.08618	11.7
103.05481	2.1
105.07026	1.1
107.04977	2.8
109.02885	1.4
109.10171	1.1
111.04463	2.1
113.06010	0.9
115.05455	3.7
116.06234	1.0
117.07011	3.1
119.05042	1.0
121.02885	1.2
121.06531	2.1
122.03650	3.2
123.04421	2.9
125.02351	1.3
125.05966	1.2
128.06221	4.8
129.07011	7.6
131.04939	5.3
131.08522	1.0
133.06508	1.3
135.04375	3.4
137.02341	3.1
137.05988	63.4
137.13263	20.3
143.04921	3.2
143.08577	1.5
144.05666	2.1
145.06491	13.2
146.07246	3.6
147.04390	2.1
147.08081	1.4
151.03922	4.2
151.07552	15.8
153.05464	1.3
157.06491	11.9
158.07291	6.6
159.04431	1.8
159.08072	4.9
160.05264	5.0
160.08870	2.1
161.06007	5.6
162.06786	2.5
163.03908	2.8
163.07576	2.5
165.01820	1.4
165.05489	3.1
165.06850	1.1
165.09201	1.0
171.08070	3.0
172.05153	2.0
172.08855	11.8
173.06001	8.1
173.09561	1.1
174.06772	6.7
175.03986	0.9
175.07555	19.6
176.08324	4.7
177.09129	8.6
178.07700	0.9
179.03412	1.2
179.07004	2.5
179.08563	0.9
181.06487	1.5
182.07227	2.0
184.08856	0.8
185.06090	2.0
186.06755	1.4
187.07549	13.7
188.08328	16.7
189.09122	100.0
190.09537	1.6
191.06960	1.0
191.08669	0.8
191.10625	2.9
193.05034	1.6
194.07172	0.8
195.08098	2.2
196.08804	1.6
197.06055	2.1
198.06676	1.3
199.07553	2.7
200.08336	3.3
201.05487	3.1
201.09128	27.0
202.09865	6.1
203.06975	2.0
203.08865	1.1
203.10672	30.0
205.06708	1.4
205.08585	6.0
207.08138	1.5
208.08823	1.7
209.04469	1.2
210.06779	1.0
211.07529	3.1
212.08307	1.7
213.05576	1.6
213.09085	7.8
215.10678	5.6
216.07779	1.6
217.08627	3.8
218.07349	1.0
219.07994	3.0
219.10172	3.6
221.09621	1.3
221.11655	1.1
223.07545	1.7
224.08344	2.8
225.05574	1.6
225.09067	3.8
226.09831	1.0
227.07022	1.3
227.10646	4.1
229.04991	2.4
229.08574	1.5
231.08128	2.0
231.10156	25.5
233.09763	1.1
234.06731	1.6
235.07581	2.0
235.09666	2.5
237.09138	1.6
238.09750	1.5
239.07027	2.2
239.10738	4.4
240.07784	1.7
241.08630	11.8
241.12196	1.1
243.10161	2.0
247.07516	2.7
248.08311	2.1
249.09100	1.8
249.11279	19.9
250.09984	1.4
251.06990	2.1
251.10620	2.5
253.08565	1.9
253.12238	1.1
254.09290	1.3
255.06485	3.5
255.10226	4.9
257.11780	1.6
261.09158	1.6
262.09879	1.9
263.07092	2.8
263.10693	3.2
264.07645	1.5
265.08615	3.2
265.12207	1.1
267.06540	2.2
267.10159	2.7
268.88916	0.9
269.08139	2.7
269.11734	2.0
275.07147	1.9
276.07861	1.8
277.08615	4.0
278.09454	1.2
279.06891	0.8
279.10144	5.2
281.08469	1.0
281.11771	3.0
282.08728	1.1
283.09695	3.6
284.10437	1.1
289.08594	1.6
290.09329	2.0
291.10217	6.9
292.10880	1.4
293.08173	1.9
293.11713	2.4
294.08719	1.5
295.09692	4.8
295.33780	1.1
296.10413	1.0
297.07611	1.3
297.10953	1.9
303.10175	1.4
305.08145	1.7
306.08701	1.9
307.09671	7.1
308.10330	2.0
309.07935	1.5
309.11179	5.2
313.10794	2.5
319.09518	3.4
320.10422	3.5
321.07922	1.4
321.11264	6.8
325.10751	2.9
327.12143	1.8
333.11243	3.1
337.10666	3.5
338.11447	2.7
339.12256	2.4
350.11499	1.7
351.08438	1.0
351.12390	2.4
355.11679	4.6
367.11911	1.4
369.09442	1.4
369.13525	2.2
385.12668	1.5
429.12991	1.3
447.14648	1.4
459.14420	1.0
467.14679	1.1
477.15186	1.1
479.14548	1.4
491.16132	0.9
497.15878	1.1
505.14822	2.7
509.15475	1.7
527.16772	2.4
535.16003	1.5
543.16986	1.1
545.17706	1.3
557.17505	2.6
575.18958	1.4
587.20135	1.1
591.19031	1.5
603.20026	1.2
605.20966	1.5
609.19348	2.8
615.20062	2.1
617.21216	1.7
633.21289	6.0
635.22125	2.1
645.20721	3.1
651.22192	4.8
663.22455	7.4
665.23407	1.1
681.23267	7.6
693.22937	4.2
699.24084	2.7
711.24475	14.1
729.25232	9.5
745.24475	2.5
780.16083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05178	1.8
67.05511	21.6
69.03429	3.1
69.07064	11.6
71.01344	3.4
71.04992	1.4
71.08637	24.6
71.52930	1.7
73.02922	4.6
79.05495	16.2
81.03423	19.6
81.07062	26.3
83.01328	2.5
83.04990	11.7
83.08628	12.4
83.48721	1.3
85.02911	19.3
85.06568	1.8
85.10194	14.8
89.58220	1.2
91.03973	8.7
91.05480	10.9
93.07056	23.7
95.04971	7.2
95.08617	23.4
97.02901	14.0
97.06535	5.7
97.10179	7.1
99.04459	3.3
105.07037	4.5
107.04955	12.9
107.08597	12.7
109.02886	1.4
109.06500	3.5
109.10162	14.6
111.04437	9.2
111.08099	3.0
111.11761	1.3
117.07021	7.8
119.08587	9.0
121.06498	2.0
121.10140	11.0
123.08067	4.2
123.11707	4.1
125.06033	2.2
125.09645	2.2
127.03953	3.3
129.06992	2.6
131.08589	6.3
133.10147	2.4
135.08081	2.4
135.11691	16.6
137.09604	1.3
143.08557	1.5
145.04961	4.0
145.10123	18.1
147.08038	3.5
149.09642	3.0
153.12743	11.5
155.08607	3.1
161.09764	1.5
163.06055	4.8
163.11194	30.6
168.74570	1.4
173.09654	7.5
181.12238	6.5
191.10701	10.7
209.11766	27.6
227.12779	13.0
239.23695	3.1
241.14452	1.4
255.16002	1.7
257.24863	2.3
265.14331	14.2
283.15417	64.2
301.16479	70.9
302.16568	1.5
313.27380	96.6
330.31094	1.1
341.26929	1.5
435.51617	1.2
445.20654	1.4
503.37418	11.4
521.38422	99.1
522.38983	2.1
539.39447	100.0
540.39667	2.5
683.43707	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	900.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
62.48180	0.6
65.03931	1.1
67.05504	5.6
69.07064	2.7
69.73607	2.5
71.08624	2.3
79.05495	7.4
81.03424	5.8
81.07061	46.2
82.07362	0.7
83.03252	0.6
83.04969	2.7
83.08592	1.2
84.67838	0.6
85.02885	1.6
85.10177	1.4
86.19501	0.6
91.03949	0.7
91.05464	3.6
93.07040	2.1
94.04156	1.1
95.04957	1.6
95.08617	18.5
97.02888	1.4
97.10196	1.5
98.10443	0.7
102.00463	0.6
102.04704	0.6
103.05473	1.2
105.07010	2.0
107.04941	3.1
107.08556	1.5
109.02907	0.9
109.10159	2.6
111.04440	2.4
111.76037	0.7
115.05431	3.5
116.06252	1.5
117.07056	3.7
119.04964	1.3
119.08601	1.0
121.06476	2.2
121.10174	0.9
122.03649	2.6
123.04440	3.1
128.06235	4.0
129.07016	6.8
131.04942	4.5
131.08575	1.6
132.05710	0.8
133.02835	1.0
133.06516	1.4
133.10138	0.6
133.88156	0.6
135.04399	3.2
135.11687	0.6
136.05196	1.6
137.02396	1.6
137.05986	37.2
137.13261	27.1
138.06749	0.9
141.06978	1.3
143.04926	1.4
143.08556	1.3
144.05730	2.2
145.05418	1.0
145.06493	16.1
146.07254	4.1
147.04434	1.9
147.07994	1.2
149.02394	0.9
149.05989	1.4
151.03943	5.9
151.07547	25.8
153.05447	0.7
153.12779	1.2
155.04909	1.0
155.06046	1.0
155.08578	0.7
156.05695	1.3
157.06511	7.5
158.07321	4.5
159.04456	2.5
159.08057	16.8
160.05209	3.6
160.08858	4.2
161.05988	6.5
162.06767	2.3
163.03903	3.1
163.07561	1.3
163.11160	1.2
165.01857	2.1
165.05470	2.5
165.06891	1.1
165.09171	0.7
167.03394	0.7
169.06505	1.6
170.07332	0.7
171.08073	2.6
172.05177	0.9
172.08838	16.6
173.05995	8.8
173.09605	1.8
174.06755	7.0
175.03963	3.3
175.07561	15.5
176.08354	5.2
177.05418	0.7
177.09103	9.8
178.02702	0.7
178.07780	0.9
179.07045	2.1
179.08537	1.4
181.06471	1.6
181.12120	0.5
182.07320	1.8
183.08012	0.8
184.08908	1.2
185.06010	1.7
186.06674	1.1
187.07545	12.1
188.08333	21.6
189.09119	100.0
189.75841	0.7
190.09842	2.3
191.03424	5.1
191.10686	7.6
192.04259	1.2
193.05061	2.1
195.08000	1.7
195.12927	0.6
196.08864	2.0
197.06023	1.5
198.06848	1.5
199.07561	2.2
200.08383	3.1
201.05482	1.2
201.09116	15.9
202.08026	0.9
202.09874	12.0
203.06999	1.7
203.10674	39.6
204.30525	0.7
205.06662	1.4
205.08636	2.4
207.08063	1.7
208.08838	1.6
209.09636	1.2
209.11612	0.7
211.07509	1.5
212.08380	1.3
213.05409	0.8
213.09106	7.8
214.09894	1.6
215.10725	4.5
216.07826	1.6
217.08638	3.2
218.07298	0.8
218.09216	0.9
219.08061	2.4
219.10184	11.3
220.08852	1.2
221.05994	1.0
221.09691	1.3
221.11794	2.1
222.10399	0.8
223.07513	1.4
224.08368	1.8
225.05504	1.0
225.09187	2.1
226.09827	0.9
227.07011	1.4
227.10730	1.3
227.12622	1.5
229.04912	1.2
229.08557	1.0
231.08301	1.2
231.10167	35.5
232.08778	0.8
233.09703	0.7
234.06786	0.8
234.10611	0.9
235.07501	2.3
235.09604	0.9
236.08246	1.6
237.09070	1.5
238.09924	1.3
239.07199	0.7
239.10684	4.4
241.08658	3.7
241.12173	0.7
247.07559	2.9
247.09804	1.2
248.08281	1.8
249.09145	2.3
249.11244	51.6
251.10690	2.5
253.08636	2.6
253.12347	1.4
254.09399	0.9
255.06593	1.5
255.10167	2.1
257.07993	0.7
261.09100	1.3
262.09900	0.9
263.07138	2.9
263.10641	3.3
264.07855	1.0
265.08618	2.2
267.06732	1.6
267.10150	3.6
267.15958	0.9
269.08093	1.1
269.11841	1.5
275.06952	0.9
276.07813	2.1
277.08682	3.7
278.09387	1.6
279.10196	6.0
280.10855	1.0
281.08362	0.7
281.11670	0.9
283.06302	0.7
283.09732	1.3
283.15378	1.7
284.15613	1.2
289.08737	1.7
290.09457	1.6
291.06870	0.8
291.10132	5.2
292.10873	1.8
293.08124	2.0
293.11697	2.2
295.09677	5.5
296.10492	1.0
297.11240	1.7
302.09332	0.8
303.10016	1.3
305.08163	0.8
306.08823	1.4
307.09598	7.7
308.10440	1.7
309.11234	3.9
313.27347	5.1
314.27756	3.4
315.28076	1.2
319.09717	1.9
320.10431	2.3
321.07587	1.1
321.11209	6.6
323.09189	0.9
323.12720	0.9
325.10770	2.1
327.12473	1.0
335.09091	0.9
337.10840	5.4
338.11612	1.0
339.12228	2.5
349.10718	2.1
350.11435	2.0
351.12366	7.1
355.11768	2.6
367.11780	2.3
368.12616	6.4
369.13342	9.3
407.11536	1.1
437.12222	0.7
447.14322	1.0
459.14255	0.8
461.13205	0.7
467.14810	0.7
479.14777	0.9
487.13446	0.8
497.15918	1.5
505.15250	0.7
505.38068	0.9
509.16083	1.7
517.14508	0.8
523.39508	1.4
527.16998	0.7
539.16925	1.2
541.39337	0.7
557.18292	1.3
587.19647	1.1
591.18262	1.9
601.18500	0.7
605.21082	2.0
609.19458	1.0
615.19672	3.3
617.21405	0.9
621.21606	1.4
631.75073	0.7
633.21234	9.7
635.22479	2.1
645.21167	2.5
651.21893	2.4
663.22211	7.6
675.22235	0.9
681.23352	10.4
693.22913	2.8
699.24371	0.9
711.24432	9.4
729.24866	1.6
745.24854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.2
67.05500	2.4
68.99785	2.2
69.03405	1.9
69.04542	2.0
69.07073	7.2
69.38893	4.8
69.39315	1.5
75.04478	0.9
77.03909	0.8
79.05489	2.5
81.03421	10.9
81.07054	3.3
83.04993	7.7
85.02921	2.1
91.05495	4.9
93.07040	1.9
94.04179	1.4
95.04976	2.7
95.08598	1.6
97.02905	7.0
98.20787	1.7
103.05472	3.1
105.07046	3.6
107.04967	4.3
107.08571	0.8
108.05752	1.8
109.02888	1.6
109.06503	1.1
111.04448	1.8
111.28123	0.8
113.06017	2.3
115.05452	3.9
117.07023	3.3
119.04941	2.1
119.08568	1.0
121.02886	1.0
121.06554	4.4
122.03673	1.6
123.04406	1.9
123.08085	0.9
125.02365	16.6
128.06230	3.5
129.07040	4.6
131.04953	4.2
131.08554	2.3
133.02835	1.3
133.06502	2.9
135.04411	3.3
135.08115	1.3
136.05229	4.2
137.02316	1.3
137.05998	34.7
138.17458	0.8
139.03947	0.9
141.06960	2.3
143.04912	3.2
143.08556	1.4
144.05714	2.2
145.06516	13.9
145.10150	1.3
146.07274	3.1
147.04366	1.2
147.08060	1.3
149.02364	1.6
149.06003	2.3
151.03951	11.5
151.07558	100.0
152.07941	0.8
153.01842	1.0
153.05489	1.3
153.06953	1.1
155.03403	18.7
155.06070	0.8
155.08592	0.9
156.05679	1.6
157.06519	6.9
158.07275	6.3
159.04428	2.1
159.08054	7.3
160.05220	5.1
160.08824	3.8
161.06007	7.6
161.09602	1.1
162.06761	1.8
163.03972	1.7
163.07547	3.0
165.05476	3.0
165.07013	2.2
165.09125	1.7
167.03391	6.2
167.07123	1.3
167.08592	1.9
169.06476	1.4
171.08099	6.5
172.08842	11.2
173.06006	7.4
173.09630	2.7
174.06792	14.9
175.03955	1.4
175.07562	22.3
176.08342	5.8
177.05544	1.0
177.09116	11.3
179.03421	2.0
179.07056	2.0
179.08566	1.3
179.10535	1.0
181.05049	1.0
181.06494	3.0
182.07278	1.8
183.02957	1.3
183.08081	2.2
184.08855	2.3
185.06033	2.5
185.09622	2.5
186.06816	2.3
186.10471	1.0
187.07579	15.8
188.08347	21.7
188.11954	1.2
189.05585	2.0
189.09128	90.4
190.09773	3.2
191.03438	1.1
191.07047	1.6
191.10693	10.3
193.04996	1.2
193.08604	1.1
193.10231	1.1
195.08096	4.0
196.08896	7.2
197.06020	1.7
197.09668	3.2
198.06709	1.7
198.10352	1.3
199.07545	3.7
199.11180	2.4
200.08386	4.3
201.05301	0.9
201.09119	26.9
202.07954	1.4
202.09900	11.5
203.06955	2.4
203.10686	36.0
204.07840	2.1
204.11453	8.3
205.08563	5.5
205.12262	3.5
207.08063	2.0
208.08844	2.5
209.04395	1.3
209.09625	2.7
210.06816	1.2
210.10379	2.4
211.07553	2.5
211.11201	1.9
212.08353	4.1
212.11946	2.5
213.09143	11.0
214.09892	2.9
215.06943	1.0
215.10692	9.4
216.07791	3.3
216.11435	1.6
217.06792	1.0
217.08667	3.7
217.12268	7.0
218.13040	0.8
219.06502	1.0
219.08185	1.8
219.10182	18.6
219.13759	12.1
221.09712	1.4
221.11716	1.1
222.10385	1.6
223.07582	2.1
223.11140	1.9
224.08275	2.1
225.09111	4.3
225.12666	1.5
226.09964	4.9
227.10663	14.5
228.11453	3.3
229.08627	2.0
229.12215	6.8
231.08296	1.5
231.10182	38.3
231.13887	2.6
233.07962	1.4
234.10609	1.0
235.09618	1.6
237.09109	2.5
238.09892	1.2
238.13539	1.5
239.10765	6.7
240.11447	2.1
241.08527	1.2
241.12312	5.7
242.12967	3.7
243.10210	6.7
243.13820	8.5
244.14632	1.4
245.15359	4.1
247.09682	1.7
248.08333	2.0
249.09052	2.0
249.11241	25.7
250.09923	1.7
251.10689	2.6
252.11415	1.8
253.12300	2.7
254.13060	2.7
255.10278	3.8
255.13791	3.4
256.14667	0.9
257.09381	1.0
257.11829	2.8
257.15363	7.2
259.17221	0.9
261.09039	1.1
261.11172	4.2
261.15005	5.8
262.09937	0.9
263.07178	1.0
263.10651	2.9
265.12250	1.3
266.12994	1.4
267.10309	1.6
267.13782	3.2
269.08582	0.8
269.11798	2.2
269.15378	6.1
270.12625	1.8
271.13815	1.3
271.16891	7.8
273.14856	0.8
275.10596	1.3
276.07880	1.2
278.09387	1.4
279.10184	1.7
281.11700	2.8
281.15372	4.2
283.09753	1.6
283.13217	1.1
285.14932	1.0
287.16608	4.0
290.09283	1.1
291.10220	2.2
291.13580	1.1
293.11676	2.3
295.09656	1.5
297.14771	1.1
299.13110	1.6
299.16449	11.4
309.11252	6.7
311.12790	1.9
317.17590	6.8
319.09647	1.2
321.11252	1.6
323.12787	2.0
325.10757	2.0
327.12350	2.5
329.17572	1.2
335.12708	1.0
335.16336	1.1
337.10754	3.2
339.12305	4.0
353.13785	1.3
355.11734	3.7
357.13397	13.3
363.11923	1.3
367.11813	3.3
377.17554	1.3
385.12906	12.6
397.12729	2.6
403.14008	1.5
405.16904	1.5
407.18469	1.1
415.13901	3.0
423.18036	2.4
425.19748	2.3
435.18173	1.5
441.19019	1.8
453.19116	4.3
471.20209	2.8
910.47296	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
64.56895	0.2
65.03950	0.7
67.05509	2.2
68.99803	0.9
69.03448	0.6
69.07076	1.6
69.14679	0.5
69.15089	2.1
71.08628	0.8
79.05508	2.5
80.06269	0.3
81.03425	14.4
81.07061	6.1
82.03764	0.3
83.01367	0.3
83.04988	2.1
83.08634	0.9
85.02874	0.6
85.10203	0.4
88.51548	0.2
91.05492	3.2
93.03407	0.3
93.07041	1.3
93.57755	0.2
94.04214	0.5
95.04973	2.0
95.08617	2.7
97.02902	3.1
97.10232	0.5
103.05479	0.8
105.03385	0.6
105.07041	2.0
106.04166	0.5
107.04967	4.1
107.08580	0.5
108.05772	1.3
109.02893	1.0
109.06528	0.7
109.10163	1.6
111.04472	1.4
111.08112	0.3
113.00024	0.3
113.06002	0.4
115.05449	2.7
116.06269	0.4
117.07034	2.0
118.04176	0.3
119.04961	0.6
119.08605	0.5
121.02888	0.9
121.06548	1.6
122.03671	0.9
122.07328	0.3
123.04434	1.0
123.11701	0.3
125.02369	7.0
128.06233	2.3
129.07025	3.1
131.04945	2.3
131.08571	1.1
132.05684	0.6
133.06535	1.6
133.10144	0.3
135.04411	2.3
136.05211	2.8
137.02356	0.6
137.05991	15.4
137.13252	1.3
138.06746	0.7
139.03915	0.6
139.07555	0.6
141.07018	1.0
142.07811	0.4
143.04942	1.7
143.05923	0.3
143.08539	1.3
144.05701	1.5
145.06491	9.8
146.07262	2.2
147.04424	0.5
147.08078	1.0
147.11703	0.3
149.02330	0.7
149.05928	0.6
151.04002	5.3
151.07556	100.0
152.06239	0.6
152.07852	0.5
153.05542	0.2
153.06955	0.6
155.03410	8.7
155.04756	0.4
155.06078	0.4
156.05760	0.7
157.06508	3.7
157.10159	0.3
158.07294	4.2
159.04451	1.7
159.08064	5.3
160.05225	2.3
160.08861	2.4
161.05992	4.3
161.09583	0.4
162.06761	0.7
163.03871	0.7
163.07555	0.6
165.05463	1.4
165.07051	0.7
165.09177	0.7
167.03465	2.4
167.08560	0.7
169.06483	0.8
170.07349	0.6
171.08073	3.7
172.05235	0.7
172.08849	9.1
173.05988	5.4
173.09602	0.5
174.06781	10.4
175.03894	1.2
175.06035	0.5
175.07564	10.8
175.11215	0.4
176.08331	4.0
177.09116	3.9
177.10490	0.4
179.03416	0.8
179.07091	0.4
179.08543	0.6
179.10695	0.4
180.05765	0.5
181.05022	0.5
181.06508	1.8
182.07274	1.2
183.02885	0.5
183.08057	1.8
184.08829	1.0
185.06001	0.9
186.06807	0.7
187.07565	7.8
188.08340	14.5
189.09123	67.5
190.07895	0.3
190.09653	0.7
191.03384	0.5
191.07057	0.5
191.08835	0.4
191.10670	4.4
193.06561	0.3
193.10269	0.4
193.12247	0.8
193.37560	0.2
194.07242	0.5
195.08031	2.3
196.05127	0.3
196.08844	7.0
197.06017	0.4
197.09633	0.6
198.06758	1.2
198.10347	0.3
199.07588	1.4
199.11206	0.4
200.08347	3.1
201.05426	1.0
201.09125	12.3
202.06210	0.3
202.08003	0.6
202.09900	7.8
203.06993	1.0
203.10678	20.1
204.07877	0.5
205.04857	0.3
205.06671	0.4
205.08623	2.4
205.12115	0.3
206.07256	0.3
207.08163	1.2
208.08871	1.0
209.04382	0.4
209.09564	1.3
210.06824	0.3
210.10431	1.0
211.07584	1.9
212.08357	3.5
213.05815	0.3
213.09119	7.2
214.09874	0.9
215.07014	0.7
215.10658	2.4
216.07813	2.4
216.11429	0.3
217.04987	0.3
217.08548	1.5
217.12227	0.5
218.07370	0.5
218.09407	0.8
219.08133	1.4
219.10162	16.7
220.07204	0.6
221.09682	1.2
221.11719	0.7
222.06715	0.3
222.10327	1.1
223.07555	0.7
224.08344	1.3
225.09094	1.3
226.09927	3.1
227.07251	0.4
227.10672	8.6
228.07877	0.4
228.11467	0.7
229.08595	1.3
229.12161	1.2
230.09439	0.5
231.10178	31.2
232.08717	0.4
232.10806	0.5
233.07788	0.3
233.09708	0.8
233.15341	0.8
234.10388	1.0
235.07541	1.0
235.09662	0.8
236.08272	0.3
237.09085	0.8
238.09882	1.1
239.06998	0.7
239.10675	2.8
240.07854	0.5
240.11403	0.7
241.08533	0.9
241.12247	1.9
242.13081	0.3
243.10229	1.6
243.13853	0.4
247.07491	1.1
247.09787	0.6
248.08331	0.9
249.11253	19.5
250.09843	1.3
251.07153	0.3
251.10712	1.3
252.11375	1.2
253.08696	0.5
253.12202	1.7
254.09389	0.6
255.10265	2.1
255.13803	0.9
256.10828	0.4
257.11771	1.0
261.08963	0.5
261.11346	0.6
262.09818	0.6
263.07220	0.6
263.10623	1.6
264.07877	0.4
264.11398	0.4
265.08972	0.4
265.12289	1.1
266.09177	0.3
267.10168	1.2
267.13571	0.3
267.15991	3.0
268.16287	0.7
269.08188	0.3
269.11761	1.7
269.15048	0.3
270.12469	1.9
271.09769	0.7
275.10632	0.3
276.07837	0.5
277.08630	0.9
277.12375	0.4
278.09409	1.3
279.10172	1.1
281.11694	2.1
283.09967	0.5
283.13293	0.9
287.19879	0.5
290.09525	0.4
291.06949	0.4
291.10168	2.2
293.08102	0.7
293.11700	1.3
293.14984	0.3
294.09015	0.4
295.09637	1.0
296.10461	0.4
297.11258	0.8
299.12769	0.7
306.09000	0.4
307.09641	0.7
308.10330	0.5
309.11237	6.5
311.12802	1.7
311.20013	0.6
313.10730	0.5
313.27353	2.7
314.27695	1.6
319.09698	0.7
321.11221	0.8
323.12811	0.9
325.10706	1.1
327.12387	1.2
335.12515	0.3
337.10724	3.0
337.27472	1.2
338.11505	0.3
339.12271	2.0
339.23254	0.4
341.13788	0.8
343.11523	0.3
349.10840	0.5
349.21371	0.5
355.11755	3.4
355.22583	0.3
356.12503	0.5
357.13373	12.1
367.11908	2.3
367.22421	0.7
373.12900	0.7
385.12851	12.2
385.23386	1.2
397.12778	0.3
403.13818	1.1
415.13501	0.3
505.39127	2.0
506.39279	1.7
539.39374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.3
68.22591	0.3
69.03432	2.7
69.07071	0.7
71.01350	0.3
71.04983	0.3
71.08638	1.3
71.52595	0.3
71.53007	0.3
73.02913	3.1
78.38184	0.3
79.05508	1.0
81.03414	1.9
81.07076	1.5
83.08626	1.0
85.02905	4.2
85.10188	0.6
91.03951	2.7
91.05482	0.5
93.07066	1.5
95.04949	0.6
95.08610	2.5
97.02901	4.8
97.10162	0.4
99.04473	0.8
101.02410	1.5
103.03982	0.5
105.07050	0.4
107.04977	0.6
107.08611	1.2
109.02898	0.6
109.10201	0.7
115.03914	0.4
117.07047	0.5
119.08566	0.3
121.10155	0.8
127.03934	1.3
130.61719	0.3
135.11711	2.4
137.06085	0.4
145.10184	1.3
150.57541	0.3
151.07617	0.3
153.12846	0.4
158.17047	0.3
163.11191	2.7
172.05321	0.3
172.72066	0.3
181.12305	0.6
185.04265	0.7
203.05309	0.7
219.09981	0.4
227.12787	4.3
243.08452	2.6
249.10997	7.1
259.07889	0.4
305.13589	2.2
313.27493	1.3
347.09506	2.4
363.09271	0.5
365.10764	1.0
405.13651	6.8
467.18954	10.8
467.25317	0.6
497.30872	6.6
497.37885	0.4
524.40704	0.5
561.38416	0.7
629.24188	9.2
659.36157	6.1
723.43091	4.4
885.48199	100.0
886.48523	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	885.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.2
65.55190	0.4
66.04703	0.7
67.05516	3.3
69.03439	5.0
69.07076	3.6
70.06595	2.8
71.04985	2.1
71.52754	0.7
73.02934	0.8
79.05495	7.0
81.02986	0.6
81.03427	7.3
81.07066	5.7
83.04985	5.4
85.02905	6.1
85.06555	2.3
86.09734	0.5
87.04465	0.5
89.03945	0.6
91.05487	9.3
92.05809	0.5
93.07040	6.1
94.04203	3.2
95.04966	3.8
95.08602	2.7
97.02892	4.3
97.06550	8.3
99.04478	2.3
99.08099	0.7
101.06031	0.6
101.16466	0.4
103.05465	4.6
104.06237	0.5
105.04537	0.5
105.07040	15.0
107.04955	3.0
107.08583	3.4
109.02885	3.4
109.06528	4.1
109.10159	1.3
111.04424	1.7
111.08093	1.6
113.06007	0.4
115.03938	0.7
115.05436	3.2
115.07583	0.9
117.07031	4.2
118.06913	1.4
119.04967	2.8
119.08592	5.2
121.02882	0.5
121.06505	5.1
121.10133	1.4
122.03658	6.7
123.04446	1.6
123.08089	1.5
125.02380	0.5
125.05988	4.7
127.03935	4.6
128.06232	2.4
129.07013	3.6
130.07784	1.2
131.04935	6.8
131.08588	7.2
132.05704	1.0
133.04993	0.6
133.06506	4.0
133.10158	1.8
135.04449	1.5
135.08060	1.1
136.05247	0.5
137.05991	100.0
138.06363	0.8
139.03963	0.5
139.07545	2.3
141.07014	1.3
142.07826	1.6
143.04945	0.6
143.07066	2.7
143.08572	10.0
143.09669	0.5
144.05647	0.5
144.09363	0.5
145.02904	0.8
145.05000	1.0
145.06490	3.1
145.10129	13.9
146.03610	1.1
147.04463	1.5
147.08054	3.1
147.11710	0.7
149.05991	3.0
151.03941	6.0
151.07553	9.6
152.04227	0.6
152.06223	0.9
153.05420	0.5
153.07045	0.8
154.07782	1.2
155.04915	0.6
155.08539	3.0
157.06509	1.8
157.08730	1.1
157.10172	1.6
158.07269	1.0
159.08113	2.8
159.11688	4.3
160.05197	1.2
161.04663	0.5
161.05988	9.1
161.09598	1.2
163.03870	0.8
163.07561	13.9
163.11198	4.9
165.07001	4.0
165.09160	0.8
166.07729	1.2
167.07083	1.3
167.08609	1.7
168.09460	1.1
169.06509	1.3
169.10097	2.5
171.08017	2.2
171.11745	1.2
172.08797	0.8
173.05965	0.6
173.09644	5.3
173.13268	0.7
175.07555	12.0
177.05521	1.6
177.06894	0.5
177.09116	1.5
178.07811	1.0
179.07042	1.3
179.08585	2.8
181.05048	0.7
181.06554	2.1
181.10075	1.0
182.07301	1.6
183.08162	1.2
183.11736	5.4
185.09627	1.4
185.13271	0.6
186.06830	0.7
187.06036	1.2
187.07584	3.9
187.11176	5.9
189.09126	2.4
189.12820	0.6
190.07864	0.9
191.07071	0.8
191.08606	3.4
191.10567	2.9
192.09351	1.1
193.06607	2.2
193.08275	0.5
193.10133	0.6
194.07320	3.1
194.11038	0.5
195.08060	1.8
195.11795	0.8
196.08810	1.0
197.09570	2.3
197.13307	3.6
199.07529	3.1
199.11162	1.1
201.09140	2.8
201.12762	1.8
202.07799	1.6
203.06955	1.0
203.08592	1.9
203.10675	1.2
204.09424	0.7
205.06627	1.4
205.08643	1.3
205.10321	1.0
205.12332	2.0
207.08113	1.8
207.11803	0.8
208.08902	1.0
209.09598	2.2
210.06726	2.5
211.07588	2.4
211.11243	1.1
212.08255	0.8
213.09148	2.5
213.63481	0.6
215.06987	1.1
215.08730	0.8
215.10678	6.6
217.08476	0.7
217.10287	0.8
218.07256	1.3
219.08095	5.7
219.11755	0.7
220.08902	1.5
221.06010	5.1
221.09679	1.8
222.06726	2.8
223.07672	0.9
223.11220	0.7
224.08347	1.8
225.05663	0.6
225.09157	5.9
225.12761	2.9
227.07056	1.8
227.10664	1.9
229.08556	1.2
229.12289	1.8
231.08124	3.7
232.08908	1.4
233.05948	0.8
233.09625	2.2
233.11792	2.6
234.06798	1.0
235.07535	1.6
235.11235	1.3
236.08398	1.3
237.09123	3.0
238.06456	0.6
239.07040	1.3
239.10751	3.7
241.08554	1.0
241.12280	2.5
243.13791	3.9
244.08926	0.7
245.09723	1.1
247.07608	1.8
247.11334	0.9
248.08342	2.6
249.09099	2.1
249.12880	0.9
250.06264	1.1
250.09804	0.8
251.07043	0.6
251.10736	8.6
251.12935	0.4
252.07831	1.4
253.08589	4.7
253.12334	3.0
254.09302	0.6
255.06424	0.7
255.10164	0.8
255.14064	0.7
257.11914	0.8
259.07535	1.6
259.11246	0.9
260.08383	1.9
261.09116	1.2
262.09915	1.2
263.10760	4.1
264.08044	1.0
265.08569	6.5
265.12234	2.7
266.09607	0.7
267.10220	4.4
267.13873	1.2
271.13394	1.0
273.09027	1.1
274.09827	0.8
275.10413	1.0
275.13068	0.9
276.07938	1.4
276.11429	0.7
277.08609	2.0
277.12079	2.3
279.10172	4.2
279.13358	1.0
281.11765	1.5
282.08694	0.5
283.09665	1.1
285.11264	13.0
287.10510	1.0
289.08734	0.9
289.14639	0.9
291.10211	4.3
291.13779	1.3
292.11041	0.9
293.11819	1.2
295.13525	0.9
296.10620	0.6
297.11218	10.0
299.09821	0.8
299.12830	5.1
301.08835	0.8
301.12277	1.1
302.09589	0.5
303.10294	1.3
303.13876	1.4
305.11627	0.9
306.09167	0.6
307.09561	0.6
307.16693	0.6
308.10333	0.8
309.11343	1.9
311.12906	7.3
312.11304	0.6
315.10104	1.0
315.13678	0.8
317.11758	1.1
317.15222	1.0
319.09714	0.8
321.11224	1.7
323.12781	5.0
325.14590	1.3
326.13196	0.5
326.20740	1.0
327.10071	0.9
328.11029	0.7
329.11819	1.2
331.09625	1.1
331.13232	1.1
331.16867	0.7
333.11194	1.0
335.12891	2.7
337.14441	0.7
339.12604	0.7
341.11569	0.6
341.15292	0.8
342.12616	0.6
343.13367	1.3
345.11301	1.0
347.12900	1.0
349.14444	1.3
349.18225	0.7
351.12131	0.6
355.13297	1.2
357.11053	0.9
357.14905	0.9
359.12485	1.0
361.14331	1.4
363.12265	1.5
369.14819	1.0
373.14417	1.3
375.11987	0.8
375.16083	2.2
377.17453	2.9
381.14417	0.5
385.14139	0.8
387.15869	3.0
389.17685	4.0
391.19370	2.4
393.13342	0.7
395.16895	3.4
397.14050	0.7
399.15863	1.6
401.17883	2.9
403.19077	1.0
405.16791	1.4
407.18533	1.3
411.16211	0.7
413.17731	1.1
415.18909	1.6
417.16412	1.1
419.18185	1.5
421.18677	1.5
427.19208	0.9
429.16711	1.1
431.18198	1.5
435.18085	1.0
437.18497	0.7
439.18167	0.5
441.16339	0.7
447.18091	1.0
449.18344	0.9
461.19562	0.6
473.23865	1.0
479.22186	1.1
483.21844	0.8
487.24597	0.6
495.21588	0.7
497.23517	3.0
501.22159	1.0
507.21692	0.9
509.22672	1.8
511.24817	0.7
513.22162	0.8
515.24457	4.7
525.22925	2.6
527.23822	2.0
529.25946	0.7
531.23224	0.8
537.22925	1.4
539.23767	0.8
543.23840	5.1
545.23181	0.7
549.22418	0.5
551.23309	0.6
553.21423	0.6
555.23309	3.1
557.24939	1.0
561.25220	2.4
563.23334	0.8
565.21057	0.7
567.22607	1.9
569.23743	0.9
573.24084	0.8
579.21771	1.0
581.23938	0.9
585.23578	0.7
591.23480	0.7
593.23871	0.9
605.25049	0.8
607.26398	0.6
609.24023	0.9
621.24365	0.6
623.26178	1.6
625.27319	0.6
633.25952	1.2
635.27222	0.6
641.27063	1.7
651.26685	2.3
653.28046	0.6
659.28424	1.9
669.26935	2.8
671.28308	0.8
675.27747	0.7
677.29626	1.9
681.26563	0.7
687.27856	3.8
689.29547	1.7
693.29144	1.0
699.27789	1.5
705.29205	4.3
707.30389	0.9
717.28656	2.2
723.29358	0.6
735.29633	1.4
783.29218	0.6
801.30261	1.4
813.31171	0.6
819.31934	0.9
837.33221	1.0
849.33344	0.7
867.33887	1.3
885.34845	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.7
67.05502	3.2
68.99786	1.8
69.03431	1.9
69.06726	0.9
69.07071	9.7
69.33290	1.4
69.33698	5.3
70.06572	1.2
71.08627	1.2
71.61137	0.7
73.02929	0.9
79.05503	3.9
81.03426	17.4
81.07047	4.2
83.04989	8.7
83.08656	1.3
85.02904	2.2
85.10165	1.0
86.69215	0.7
86.93081	0.8
87.04473	16.0
88.04824	0.9
89.06043	1.1
91.05487	7.8
93.07034	2.8
95.04971	2.9
95.08607	2.1
97.02905	4.7
103.05489	2.0
105.03423	0.9
105.07021	3.3
107.04961	6.1
107.08604	1.6
108.05733	2.2
109.02893	1.0
109.06520	1.7
109.10146	1.7
111.04437	2.6
113.06003	3.0
115.05424	4.0
116.07082	1.5
117.07029	2.4
119.08584	2.3
121.02899	1.0
121.06510	3.9
122.03606	1.2
123.04440	13.0
125.02368	10.3
128.06284	3.6
129.07027	5.8
131.04926	5.8
131.08551	3.2
132.05705	1.5
133.02855	1.0
133.06514	2.0
133.10161	0.9
134.96373	0.8
135.04405	4.6
135.08089	0.9
136.05179	4.1
137.02350	3.7
137.05986	22.3
138.03094	1.0
138.06775	1.6
141.07001	2.9
142.07761	0.8
143.04918	2.3
143.08583	2.5
144.05742	3.5
145.06482	14.7
145.10149	1.6
146.07286	3.6
147.04375	1.6
147.08073	2.2
147.11717	0.8
149.02333	2.2
149.05983	2.8
149.09627	1.1
151.03938	3.2
151.07555	100.0
152.06276	0.9
152.07820	0.8
153.06993	1.0
155.03404	12.0
155.08600	1.2
156.05679	1.2
157.06502	7.5
157.10124	1.1
158.07288	6.7
159.04466	2.3
159.08054	9.8
160.05183	3.2
160.08859	2.7
161.06009	10.4
162.06760	1.7
163.03918	1.8
163.07545	2.9
165.01833	1.0
165.05478	4.1
165.06940	1.8
165.09119	1.6
167.03427	5.2
167.07108	0.8
167.08536	0.9
169.06488	2.0
170.07314	0.9
171.08081	5.4
172.05128	0.9
172.08832	11.4
173.06000	7.7
173.09647	3.1
174.06783	13.2
175.03935	2.0
175.07541	17.6
176.08344	11.0
177.05458	0.9
177.09132	8.4
179.03415	2.3
179.07033	1.3
179.08585	2.1
181.05035	0.9
181.06517	2.8
182.07297	2.4
183.02885	1.0
183.08028	3.5
184.08905	1.7
185.05956	2.2
185.09706	1.1
186.06786	2.5
187.07574	14.7
188.08333	21.8
189.09120	85.1
190.09778	2.8
191.03421	2.5
191.07152	3.5
191.08716	1.4
191.10678	7.0
193.12343	1.5
195.08055	3.9
196.08853	7.6
197.05991	1.0
197.09645	1.9
198.06798	1.3
199.07567	3.4
199.11299	0.8
200.08330	4.6
201.05460	1.6
201.09116	19.8
202.09871	11.5
203.06969	2.3
203.08885	1.1
203.10677	30.9
204.07881	1.2
204.11424	2.2
205.06895	1.0
205.08591	4.3
205.12231	10.7
207.08134	1.3
208.08853	1.6
209.04375	1.0
209.09633	1.6
210.10345	1.7
211.07559	3.2
211.11235	1.6
212.08357	3.9
213.09151	9.8
214.09888	2.1
215.07098	1.0
215.10696	5.3
216.07869	2.7
216.11440	1.1
217.08643	5.8
217.12299	3.4
218.09323	1.3
219.08142	1.8
219.10165	19.8
219.13840	3.2
221.06113	0.8
221.07996	1.9
221.11647	1.7
222.10309	0.8
223.07594	1.0
223.11269	1.8
224.08295	2.3
225.09096	3.2
226.09927	4.2
227.10631	12.9
228.11458	1.9
229.08641	3.0
229.12239	3.2
230.09286	1.1
231.10179	37.0
231.13739	1.4
233.09721	1.5
233.11845	2.3
233.19139	1.5
234.10489	1.5
235.07516	1.7
235.09386	4.8
236.12054	0.8
237.09152	2.2
238.09882	3.1
239.10632	4.5
240.11212	1.3
241.08545	2.2
241.12169	3.7
242.13130	1.0
243.10133	3.7
243.13800	5.6
244.14696	1.0
245.15378	1.3
247.09755	1.9
249.09074	1.6
249.11252	26.6
250.09895	2.0
251.07193	1.2
251.10666	2.4
253.08640	1.0
253.12187	2.5
253.14479	1.5
254.13020	1.1
255.10237	2.4
255.13826	2.5
257.11829	0.9
257.15448	4.0
261.11322	1.8
261.14999	1.1
262.10016	0.9
263.10666	2.9
265.12262	1.8
267.10138	1.9
267.13440	1.6
267.16031	4.3
268.16330	1.5
269.11755	1.9
269.15521	1.7
270.12567	1.8
271.16965	3.4
273.14960	1.5
276.07782	1.0
277.08591	2.6
278.09393	2.5
279.10141	2.1
281.08890	0.8
281.11780	3.5
281.15320	1.6
283.09973	1.0
283.13364	1.2
283.16678	1.0
285.14658	1.5
287.16580	1.6
291.06964	0.9
291.10178	3.1
293.08359	1.8
293.11755	2.6
294.08926	0.8
295.09760	2.5
295.13281	0.8
297.11218	2.0
297.14655	1.3
299.13184	1.4
299.16431	4.0
303.15894	3.4
305.08221	1.1
307.09567	1.3
308.10339	0.9
309.11237	8.1
311.09308	1.0
311.12833	1.8
313.27466	5.5
314.27783	1.6
317.17322	2.1
319.09528	1.3
321.11169	1.5
325.10703	1.9
327.12311	2.0
337.10620	4.8
339.12277	5.0
349.10764	1.1
353.20950	1.1
355.11807	7.0
357.13437	12.2
365.17645	0.8
367.11719	3.5
373.12903	2.0
377.17661	0.9
385.12823	15.8
390.91330	0.9
395.18738	1.4
402.13074	1.9
403.13760	2.0
406.34869	0.8
411.17889	1.4
425.19736	1.0
435.17935	1.0
453.19296	1.3
462.24149	1.6
463.24854	1.2
480.24619	0.9
505.38867	2.7
506.39386	4.1
527.17303	1.0
639.47363	1.0
749.28748	0.8
883.59076	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	3.7
69.03423	2.4
69.04543	7.5
69.07070	14.6
70.83797	5.3
79.05493	4.9
81.03421	12.9
81.07048	6.5
83.04984	9.5
83.08618	2.1
90.97414	2.1
91.05463	6.1
93.07052	2.4
95.04955	4.8
95.08594	3.9
103.05474	8.7
105.07025	5.7
107.04946	4.8
111.04429	2.9
113.06007	4.7
115.05452	6.8
117.07012	7.3
119.04924	2.4
121.06504	7.1
122.03698	2.8
123.04435	8.2
125.02378	2.2
128.06235	6.7
129.06998	8.9
131.04904	8.9
131.08568	4.6
133.06487	3.5
135.04405	3.9
136.05220	4.4
137.02319	3.6
137.05983	15.5
141.06990	4.3
142.07788	2.5
143.04892	2.2
143.08556	7.3
144.05734	4.7
145.06509	26.6
145.10129	5.5
146.07251	4.6
147.04434	3.0
147.08098	2.9
148.05226	2.4
149.06032	3.9
149.09666	2.6
150.06703	2.0
151.03931	3.7
151.07552	72.8
155.08588	3.5
157.06538	10.0
157.10162	3.4
158.07289	10.8
159.04434	5.6
159.08076	10.1
160.05229	4.0
160.08781	6.3
161.05963	7.8
161.09659	2.3
162.06772	3.2
163.03931	2.7
163.07515	9.4
165.05458	15.0
165.06830	3.2
165.09146	9.0
167.08627	4.4
169.06488	3.3
171.04344	2.3
171.08052	9.0
172.05182	2.5
172.08864	10.5
173.06013	17.5
173.09663	12.7
174.06772	14.2
175.03773	2.3
175.07530	16.3
176.08310	6.3
177.09128	22.4
179.07063	4.8
179.08507	2.8
181.06506	4.4
181.10146	2.4
183.08049	6.3
183.11678	2.5
184.08801	3.6
185.05969	5.3
185.09598	4.5
186.06784	2.5
187.07542	10.7
188.08333	20.8
188.11957	2.7
189.09117	100.0
190.09837	6.4
191.03391	2.1
191.06964	2.7
191.10683	26.4
193.06367	2.7
195.08095	6.5
196.08804	4.1
197.05873	5.2
197.09648	6.6
198.06696	2.1
198.10381	2.4
199.07640	10.6
200.08342	5.9
201.05453	4.4
201.09120	38.9
202.09978	10.0
203.06960	2.5
203.10678	48.7
204.11528	3.7
205.06474	2.1
205.08548	2.8
205.12230	28.9
208.08714	2.5
209.09550	5.7
211.07631	2.7
211.11229	3.6
212.08279	3.7
213.09151	10.7
214.09920	3.5
215.07053	2.7
215.10672	19.8
216.07698	2.6
217.08588	5.7
217.12288	15.5
219.08205	3.6
219.10100	10.4
219.13774	25.6
222.10335	2.3
223.11111	3.5
224.08293	6.1
225.09094	4.9
226.06239	2.5
226.09854	3.7
227.10713	7.6
228.11516	4.4
229.04977	6.1
229.08626	6.4
229.12257	9.6
231.10170	33.3
231.13858	5.2
233.11719	4.4
238.09924	2.8
239.06966	3.6
239.10609	10.0
241.08574	5.3
241.12173	7.5
243.10153	5.8
243.13849	11.6
245.15379	11.5
247.07582	2.8
249.09052	3.0
249.11201	13.3
251.07062	2.4
251.10641	5.3
253.08588	2.6
253.12306	3.5
255.10210	6.2
255.13751	4.2
257.15332	13.4
259.16968	4.0
261.11316	3.9
263.06961	2.1
263.10571	3.0
265.12241	3.2
267.10217	3.2
267.13712	4.6
269.08206	3.9
269.15347	6.3
271.16953	12.3
273.15677	2.3
273.18481	9.5
275.10669	2.5
277.08575	3.2
279.10086	4.9
281.11819	2.7
281.15308	4.9
285.14828	4.4
289.17935	2.9
291.10129	5.6
292.10931	2.5
295.09479	2.3
299.16415	11.9
307.09555	3.2
309.11221	2.4
317.17151	2.4
319.09872	2.2
321.11234	5.4
323.20261	2.9
325.21585	2.4
334.92151	2.4
337.10889	3.6
353.20886	5.7
355.11682	3.6
420.31842	2.4
509.15961	2.8
527.16718	5.0
539.16333	3.7
545.17712	3.4
557.17889	4.9
575.19263	3.1
587.19055	4.4
677.25177	5.0
755.29272	2.2
761.29260	2.8
807.32501	2.6
817.35883	2.7
827.31976	5.6
847.36609	4.9
865.37585	11.8
883.38507	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.4
67.05495	3.7
69.03442	2.8
69.04550	7.7
69.07080	10.5
70.06590	4.2
71.52308	1.9
79.05489	5.6
81.03426	16.4
81.07067	5.8
83.04983	10.6
91.05479	9.7
93.07028	3.3
95.04971	4.2
95.08627	2.5
97.02908	3.2
103.05480	6.4
105.07033	5.3
107.04967	7.3
107.08604	2.3
108.05770	1.8
109.02882	3.1
109.06571	2.1
111.04424	1.8
113.06091	2.8
115.05472	7.3
117.07052	8.1
118.96250	1.4
119.04957	2.5
119.08564	3.4
121.02860	2.5
121.06520	6.0
122.03699	2.4
123.04435	8.9
125.02381	3.5
127.03859	1.4
128.06267	7.0
129.07027	10.1
130.07808	1.4
131.04941	13.3
131.08598	5.7
133.06529	2.5
135.04437	4.1
135.08115	1.5
135.67911	1.4
136.05212	4.8
137.02354	6.2
137.05992	20.8
141.06929	3.3
142.07799	2.0
143.04991	2.6
143.08575	4.0
144.05742	4.6
145.06470	19.0
145.07486	1.5
145.10141	5.7
146.07294	6.1
147.04370	2.9
147.08028	2.9
148.05147	1.4
149.06026	5.9
151.03964	5.1
151.07555	100.0
153.06979	2.2
154.07858	2.5
155.03453	2.9
155.08504	3.1
156.05711	2.5
157.06534	11.5
157.10132	2.7
158.07324	9.1
159.04488	3.0
159.08069	14.8
160.05237	2.8
160.08839	7.6
161.05992	11.1
161.09637	3.3
162.06776	6.4
163.07539	10.0
165.01828	1.8
165.05515	15.9
165.06938	3.1
165.09128	9.7
167.08557	1.9
169.06477	3.2
169.10114	2.1
170.07310	4.2
171.04475	1.8
171.08051	12.7
172.08833	18.5
173.05975	13.1
173.09656	12.9
174.06793	10.3
174.10416	2.3
175.03949	2.7
175.07556	18.4
175.11082	1.4
176.08327	10.0
177.05492	2.8
177.09114	27.9
179.07056	4.2
179.08540	3.1
181.06541	4.4
181.10139	3.0
182.07256	3.4
183.08035	6.8
184.08882	3.7
185.06021	3.0
185.09650	4.3
186.06841	5.1
186.10408	2.3
187.07564	16.2
187.11229	3.3
188.08353	21.5
188.11942	4.9
189.05502	3.1
189.09119	99.1
190.09911	7.7
191.03568	2.0
191.07054	2.6
191.10695	41.0
193.04907	2.8
193.10246	1.9
195.08153	5.3
195.11876	1.8
196.08913	3.2
197.06161	1.8
197.09653	6.5
198.06728	1.9
198.10435	2.0
199.07591	4.8
199.11293	2.1
200.08336	7.1
201.05447	2.6
201.09125	39.6
202.09856	12.3
203.07108	4.1
203.10680	51.4
204.11386	7.7
205.08606	3.4
205.12242	25.6
208.08960	2.3
209.09683	6.2
210.10371	3.9
211.07637	6.6
211.11269	4.2
212.08443	3.4
212.12047	6.3
213.05540	1.6
213.09097	13.7
214.09906	4.4
215.07213	2.0
215.10677	21.9
216.07867	1.9
216.11505	2.7
217.08644	5.3
217.12199	18.3
219.10284	14.0
219.13792	47.9
221.09789	3.1
221.11772	3.1
223.07593	1.7
223.11224	4.9
224.08398	2.6
225.09175	6.2
225.12733	2.3
226.09970	2.2
227.10649	7.5
228.07861	1.7
228.11501	11.3
229.04997	3.1
229.08659	3.9
229.12234	10.6
230.13220	1.6
231.06532	2.2
231.10168	33.4
231.13707	9.6
233.11790	5.8
235.11269	3.5
237.12711	1.9
239.07066	2.1
239.10710	6.5
240.11438	2.7
240.15141	1.9
241.08789	4.4
241.12267	7.9
242.13007	2.5
243.10257	5.9
243.13838	22.4
245.15317	7.7
247.07652	2.1
248.08418	2.2
249.09009	2.0
249.11179	21.8
250.06255	1.6
250.13574	1.8
251.10770	3.8
252.11551	2.7
253.12309	5.1
254.13092	4.4
255.10204	3.8
255.13762	10.4
256.14578	2.2
257.11832	2.4
257.15445	16.1
259.13416	2.9
259.16998	2.9
261.08957	2.4
261.11285	8.5
267.06735	1.8
267.10355	3.5
267.13870	4.0
269.08142	1.8
269.15417	8.5
271.16888	15.4
273.15570	2.0
273.18436	9.4
277.08820	2.7
279.10129	2.6
281.12299	1.5
281.15332	6.6
285.14938	5.4
287.16461	5.0
287.20038	4.1
289.17957	4.0
291.10297	2.3
293.08185	2.2
295.09665	1.8
297.07666	2.0
297.15063	2.9
299.16443	18.4
303.10101	1.7
305.08038	1.8
307.09756	3.6
309.07840	3.0
309.11279	3.0
311.20078	2.6
315.16040	2.7
317.11899	1.9
317.17575	11.5
319.09628	2.2
321.11212	3.9
323.20084	2.9
325.21799	3.6
337.10855	3.4
351.12396	2.8
353.21188	6.0
355.12054	2.2
367.11880	3.5
369.13522	3.5
385.13126	1.8
385.23813	2.3
497.16156	1.7
527.17169	3.3
545.19427	1.4
557.18060	1.9
595.24689	1.5
743.27399	1.6
761.29889	1.6
769.35571	1.8
779.31317	2.5
799.33728	2.1
806.70874	1.7
817.36554	1.8
825.34930	2.7
827.33258	3.8
835.36627	2.1
847.36737	5.9
865.38263	15.0
883.38763	47.2
884.39746	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	883.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.1
67.05499	2.9
68.99793	3.5
69.03084	1.5
69.03434	20.6
70.06595	3.0
71.01371	1.0
71.04986	3.5
71.52632	1.4
73.02918	3.1
73.55624	0.8
79.05531	0.9
81.03422	33.5
81.07064	1.2
83.01351	1.8
83.05011	2.8
84.08118	1.4
85.02910	48.2
87.00831	22.2
90.68424	0.8
91.03953	1.6
91.05481	2.8
93.03400	2.6
95.04993	2.5
97.02898	30.8
99.04448	7.4
101.02367	0.9
103.03938	1.4
105.01875	20.4
105.07035	3.0
107.04972	2.1
107.41768	0.8
109.02885	39.1
109.06555	1.1
111.04437	3.9
113.02335	1.6
115.03931	1.7
115.05450	2.5
117.01836	1.1
117.07046	1.5
119.04925	2.1
121.02866	3.0
123.04430	3.7
125.02365	2.0
127.03927	52.3
128.06168	1.3
129.01833	3.0
129.06955	1.6
131.04941	2.8
131.08528	1.0
133.02863	2.5
133.06534	1.2
135.04407	3.2
136.05222	2.4
137.02307	2.4
137.05962	3.3
139.03929	2.7
140.07098	1.0
145.04962	9.5
145.06479	3.5
146.07292	1.1
147.02910	1.5
147.04410	3.3
151.03917	59.1
151.07550	80.2
152.07813	0.9
157.06474	7.5
158.07294	9.2
159.02901	7.2
159.04414	5.7
159.08058	2.6
160.05130	0.9
160.08949	1.1
161.04602	1.3
161.05988	4.5
163.03908	4.0
165.05536	4.7
167.03427	1.6
169.05000	3.6
171.02887	1.3
171.08073	1.2
172.08917	5.4
173.06033	3.8
174.06790	17.0
175.03900	3.8
175.07552	3.4
176.08231	1.0
177.05489	1.9
177.09100	3.3
179.07048	1.0
181.04912	1.7
186.06810	4.2
187.06039	1.6
187.07458	4.4
188.08365	7.8
189.03937	4.4
189.05505	6.3
189.09120	54.1
191.07112	1.0
191.10529	1.5
193.04990	2.2
199.07404	1.4
200.08311	1.3
201.05702	5.3
201.09123	100.0
202.09933	16.9
203.07063	1.2
203.08856	1.7
203.10669	14.6
205.04947	2.2
211.06021	1.3
213.03925	10.8
213.05687	1.2
213.08975	2.3
214.09888	1.6
215.07080	0.9
215.10690	1.9
216.07860	1.3
218.07253	1.4
219.06590	3.0
219.10141	22.2
221.09613	1.2
229.04996	1.4
231.04962	11.8
231.10146	16.6
233.11717	2.1
235.07742	1.9
238.09975	1.0
243.32054	0.9
247.07614	1.9
249.07516	1.9
249.09157	1.0
249.11255	19.1
253.07150	1.4
261.09161	1.8
262.09796	2.5
263.07092	4.1
264.07709	1.1
265.08643	1.4
273.06085	12.5
273.08890	1.4
275.07129	1.5
275.10715	1.2
276.07794	1.4
277.08636	7.8
278.09406	4.7
279.06729	1.9
279.09915	1.2
281.11636	1.4
289.08701	1.8
290.09378	4.9
291.06610	2.0
291.10062	1.8
293.08334	1.5
293.11713	4.9
294.08899	1.8
298.08453	3.2
299.09125	1.4
305.08084	4.1
306.08899	2.9
307.09604	5.3
308.10403	2.5
309.11261	2.2
315.07227	1.1
319.09738	2.2
320.10413	3.8
321.11194	10.2
324.09955	4.3
325.10641	0.9
335.09131	1.2
336.09930	3.7
339.07352	3.0
339.12280	14.8
341.14032	0.9
351.12268	28.2
353.13708	2.7
357.08102	1.9
369.13345	55.8
371.14981	1.4
385.12604	1.7
393.12903	1.4
443.07990	1.5
461.09311	1.6
665.19690	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57881	0.4
65.03932	0.6
67.05511	7.4
68.69118	0.4
69.03455	2.0
69.07072	4.8
69.51367	2.6
71.04994	1.3
71.08639	10.4
73.02920	1.1
73.82165	0.4
79.05497	5.6
81.03424	23.0
81.07061	11.4
82.07387	0.4
83.04991	4.2
83.08624	11.2
85.02912	11.7
85.10191	6.2
87.04472	0.8
91.03977	2.7
91.05488	7.6
93.07047	4.5
95.04981	8.6
95.08617	9.8
97.02910	3.3
97.06525	1.1
97.10154	2.8
98.20734	0.6
99.04490	0.6
105.07040	5.4
107.04965	2.0
107.08601	2.6
109.06516	1.0
109.10169	4.6
111.04470	1.0
111.08102	4.3
111.11722	0.4
113.06004	1.1
115.05441	0.8
117.06992	1.1
119.04852	0.4
119.08589	5.0
121.06489	0.5
121.10138	2.6
123.08083	0.7
123.11728	1.6
125.02386	0.6
127.03929	1.0
128.06190	0.5
129.07033	4.5
131.08580	3.7
133.06506	0.7
133.10149	2.8
135.04428	13.5
135.11717	0.6
136.04771	2.9
137.05997	1.7
137.09628	0.6
137.13229	0.5
142.07828	0.8
145.05017	0.9
145.06563	0.4
145.10118	0.9
147.08104	1.0
147.11693	5.4
149.09665	1.9
151.11247	0.5
155.03377	0.9
157.06525	1.1
157.10139	4.2
160.05223	0.6
161.06021	0.6
163.06035	0.9
163.11235	1.2
165.12813	1.4
173.06001	4.6
174.06349	1.7
175.07558	1.1
175.11212	5.6
181.06566	0.6
184.07458	0.4
185.06017	1.3
186.06685	0.7
187.07524	1.2
193.12257	18.1
197.05981	0.6
203.07056	2.2
211.07739	0.6
211.13310	22.6
215.07089	1.7
216.07431	0.4
220.74440	0.4
227.12859	1.1
228.13197	0.7
233.08156	1.2
234.08508	0.7
239.23802	0.9
249.14897	0.4
250.09517	0.4
257.24777	0.7
267.15927	8.6
283.15485	1.5
284.15741	1.8
285.16980	22.7
293.08218	0.4
313.27380	31.1
314.27844	1.8
315.27939	0.5
321.22128	0.4
341.10373	0.7
505.38937	8.0
521.38477	0.9
522.38678	1.4
523.39972	100.0
524.40204	1.5
667.44287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	2.2
65.03929	0.4
66.27025	0.3
67.05512	10.6
69.03429	0.9
69.06734	0.5
69.07076	6.8
71.04975	1.1
71.05330	0.3
71.08639	13.5
71.52285	0.3
71.52668	0.4
73.02915	1.6
79.05495	10.5
81.03402	1.1
81.07065	15.6
83.04974	1.7
83.08154	0.6
83.08627	9.5
85.02918	3.3
85.06542	0.7
85.10191	8.7
89.06022	1.0
91.03950	1.5
91.05484	3.4
93.07054	16.1
95.04966	3.0
95.08615	28.3
97.02907	3.7
97.06556	2.3
97.10196	3.0
99.04462	2.3
99.11722	0.7
103.05502	0.4
103.07590	0.9
105.07043	3.4
107.04961	4.7
107.08606	16.4
109.06538	0.7
109.10171	6.2
111.04472	0.7
111.08101	0.7
111.11724	0.5
113.05976	0.4
115.05460	0.3
117.07029	4.4
119.07806	0.5
119.08591	5.4
121.06538	2.9
121.10157	8.5
123.11696	2.0
125.05999	1.8
127.03908	0.7
128.12505	0.3
130.07779	1.0
131.04933	0.6
133.10115	1.3
135.08049	1.4
135.11705	34.7
137.13258	1.0
139.07539	1.1
139.11192	0.4
145.04987	0.5
145.10135	17.4
151.07556	0.5
153.12871	0.5
163.06032	0.9
163.11197	46.3
164.11507	0.4
173.09636	0.9
181.10721	0.4
181.12244	9.0
201.35437	0.3
208.43076	0.4
209.09987	0.4
209.11763	1.5
227.12802	50.3
228.13100	0.6
239.23750	1.2
257.24738	1.8
257.27213	0.3
283.15417	84.2
284.15771	0.8
313.27390	81.9
314.27664	0.7
396.17029	0.4
521.38428	100.0
522.38647	2.2
539.39429	0.4
598.77356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	3.4
67.01866	1.1
68.99795	4.4
69.03436	1.1
70.06595	1.9
71.04607	1.3
71.05000	21.5
71.43876	0.9
72.08161	0.9
81.03425	1.8
83.05004	0.9
84.08144	1.0
85.02912	28.1
86.09704	1.7
91.05495	1.3
97.02921	1.4
109.02926	0.8
111.00812	0.9
111.04462	2.3
119.04963	3.1
121.02881	76.2
121.03912	2.5
127.03938	0.8
129.05498	3.4
137.02367	1.6
137.05997	2.0
145.02866	2.7
149.02315	0.9
151.03912	1.1
153.01840	28.6
161.06047	1.0
163.03906	2.3
165.01881	2.7
176.01082	3.9
177.01852	2.1
177.05481	1.2
183.02858	0.9
189.01906	0.8
189.05472	1.1
190.02672	1.1
194.02151	2.2
203.03496	1.0
213.05493	1.2
217.05017	4.4
237.05510	1.3
239.03455	1.7
242.02229	0.8
245.04527	4.4
251.03685	1.0
253.05095	0.9
255.02950	2.9
256.03769	0.8
263.06995	1.1
265.05020	1.3
267.02972	1.7
267.06516	1.4
269.04504	1.9
271.06232	1.1
273.03891	6.8
277.05048	1.1
279.03165	1.7
279.06577	3.5
281.04541	2.2
281.08115	0.9
282.05402	1.4
283.02835	1.7
283.06140	6.7
284.03183	2.6
285.03909	1.1
293.04425	3.4
294.05252	24.1
295.02509	2.5
295.06021	23.6
297.04016	2.7
301.03397	4.7
302.04401	1.0
303.06540	1.8
305.04538	0.9
307.05820	4.2
308.06735	6.7
309.04160	1.6
309.07629	5.0
311.01971	3.7
311.05527	1.6
313.03397	1.4
319.06033	2.0
320.06790	1.0
321.04126	2.1
321.07605	2.0
333.03934	1.6
335.01920	1.1
335.05612	2.6
337.03506	1.2
337.07245	1.4
343.09961	1.0
345.04013	1.9
345.07605	1.0
347.05563	3.3
348.06458	0.9
351.04959	1.0
357.03973	1.1
359.05524	1.8
360.06439	2.1
361.03247	1.2
361.07159	2.2
363.05344	2.4
365.06793	0.9
369.07480	1.0
371.05490	1.0
373.07355	1.7
375.05173	1.6
377.06708	0.9
385.07239	2.3
386.07748	1.3
387.08871	1.1
388.06158	1.9
389.06644	2.3
397.06876	1.1
399.08722	2.5
401.06293	3.5
402.07443	9.7
403.04218	2.2
403.08713	6.5
411.08929	1.2
413.06558	3.6
415.08307	2.2
417.06177	0.9
419.07932	2.2
421.05646	1.7
427.08255	1.7
429.02090	0.9
429.09891	2.3
431.07782	4.9
433.05930	0.9
436.60498	0.8
439.08063	1.3
443.07446	4.5
447.03159	1.4
447.08621	1.1
453.10284	0.9
455.07712	1.9
457.09375	2.1
463.08194	1.9
467.07397	1.0
473.04456	1.0
477.04547	1.3
479.07712	0.9
493.09399	2.3
497.08920	1.4
500.69904	0.9
509.08856	2.9
527.09540	1.6
539.09851	3.0
563.10547	1.3
567.09253	8.3
571.08582	4.2
579.09491	1.0
581.10858	2.2
583.08740	41.8
591.09131	1.3
595.08746	61.8
596.08948	1.9
605.11340	1.7
609.10358	16.6
613.09784	74.9
614.10217	2.3
619.08569	1.2
621.10028	2.2
623.11493	2.7
633.10089	2.4
637.09808	83.6
638.10309	2.3
639.07092	1.2
643.08917	3.0
649.10004	8.4
661.09766	18.6
667.10901	14.4
679.10864	100.0
680.11108	3.0
697.11835	24.6
715.12988	46.5
716.13098	1.7
733.14056	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	878.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	2.4
67.05183	1.6
67.05514	22.4
69.07070	6.2
71.05006	2.0
71.05563	0.7
71.08643	12.0
71.53179	1.4
72.08171	1.4
73.02921	1.7
73.06579	1.2
77.03894	0.8
79.05503	28.8
81.03422	2.6
81.06594	1.6
81.07066	23.8
83.04976	7.5
83.08636	5.7
85.02921	3.5
85.06536	1.4
85.10190	6.9
89.06056	0.9
91.03950	2.4
91.05495	21.2
93.07054	26.4
95.04997	7.9
95.08616	21.2
96.00676	1.0
97.02882	1.7
97.06548	2.4
97.10165	2.6
105.04529	1.2
105.06407	1.6
105.07045	13.6
107.04980	2.4
107.08596	6.8
109.06525	2.9
109.10159	6.8
111.11704	1.0
117.07033	3.2
119.07830	1.0
119.08602	11.0
121.10166	0.9
123.08099	3.2
123.11714	1.8
127.07571	1.1
128.06161	0.9
129.07002	7.7
130.17233	0.9
131.08604	1.5
133.10152	5.2
143.08600	4.4
145.04951	1.1
145.10123	3.6
147.08078	1.1
147.11696	16.0
151.07559	1.1
161.09589	1.5
161.13271	6.5
163.06015	1.1
171.11710	11.4
182.72653	0.8
189.12811	3.0
190.83607	0.8
207.13820	10.1
221.54683	0.9
239.23706	1.3
243.17680	1.0
281.17505	94.9
313.27417	31.3
313.30118	0.5
357.77240	0.8
519.40485	100.0
520.41052	1.0
537.41541	1.1
600.17731	1.0
654.50061	0.8
767.43823	1.0
873.51672	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	4.9
65.03938	1.5
67.05512	14.9
69.03436	21.9
69.07081	1.1
69.16167	3.4
70.07139	0.3
71.01369	0.4
71.05000	8.1
73.02921	1.8
74.28403	0.3
77.78424	0.3
79.05063	0.6
79.05497	8.7
81.03425	5.7
81.07068	3.6
83.01378	0.5
83.04988	1.7
83.08636	0.6
85.02912	56.9
85.06549	6.2
86.09745	0.4
87.04469	3.0
91.03967	2.7
91.05484	4.9
92.13770	0.3
93.07048	4.1
95.04977	37.1
95.08617	3.8
97.02901	17.8
97.06545	7.0
99.04465	2.9
101.02380	0.4
101.06041	0.5
103.03954	0.8
105.07042	9.8
107.04997	1.0
107.08601	33.6
108.08990	0.4
109.02895	5.9
109.06549	1.4
109.10142	0.9
111.04452	1.2
111.08138	0.4
113.06015	72.7
115.03984	0.6
115.05434	0.6
117.07032	3.4
119.04939	0.3
119.07784	0.6
119.08582	4.3
121.06554	1.1
121.10143	3.2
123.04556	0.4
123.11688	0.4
127.03926	14.2
128.06229	0.7
129.05481	0.4
129.07013	1.3
130.07808	1.1
131.08582	12.9
133.06480	0.8
133.10152	4.4
134.24036	0.4
135.04443	0.3
135.08069	0.9
135.11694	1.8
137.05972	1.9
137.09676	0.7
139.07591	0.4
141.06941	0.5
142.07756	0.4
143.08569	5.8
145.04976	20.5
145.08629	8.6
145.10146	19.1
147.08075	1.4
147.11707	8.1
147.12714	0.2
149.06010	0.9
149.09602	2.5
149.13300	1.1
151.07578	0.9
151.11108	0.4
155.08540	1.4
157.10127	4.2
158.07277	0.5
159.08078	1.2
159.11707	7.0
161.05963	0.4
161.09639	4.3
161.13293	1.3
163.06050	7.6
163.07416	0.7
163.11243	1.6
165.09094	0.4
165.12770	2.0
167.07045	0.4
169.10162	1.7
171.08122	0.4
171.11722	3.2
173.09639	18.2
173.13222	2.0
175.07692	0.5
175.11195	5.3
177.05583	0.4
177.09081	0.7
177.12785	2.8
179.07005	0.5
179.10684	0.8
181.10191	0.6
183.11697	1.5
185.09645	1.0
185.13261	1.5
187.11240	3.0
189.07608	2.7
189.09174	1.0
189.12750	1.5
191.10689	10.6
191.14284	3.0
195.11754	1.3
197.13240	1.6
199.14867	1.1
201.12811	1.2
203.10687	1.4
205.12263	0.5
207.11812	0.5
209.13377	0.7
209.15393	1.2
211.11201	0.9
211.14790	1.2
215.10744	1.6
223.14949	0.5
225.12909	0.5
225.16370	0.6
229.12271	1.0
235.14812	0.5
239.09247	1.1
243.13840	0.9
249.16429	0.5
251.17999	0.8
253.19539	11.5
257.10278	4.3
261.14990	0.5
265.15997	0.5
271.20566	8.8
275.11243	2.6
277.16281	0.3
277.19580	1.4
289.09201	1.0
289.21729	1.9
291.21140	1.5
295.17114	0.4
295.20660	0.9
301.19623	1.0
309.19089	0.4
309.22107	2.2
319.20526	5.3
325.11325	9.3
327.23260	0.6
337.21655	18.5
355.22705	21.8
373.23776	52.8
374.24036	0.7
391.24811	100.0
392.25107	1.0
409.25870	9.9
540.90228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03959	0.6
68.99797	0.6
69.03445	0.4
69.07064	0.3
69.49139	0.6
69.49542	1.6
79.05510	0.9
81.03423	12.2
82.03777	0.3
83.01335	0.2
83.04990	1.1
85.02900	0.6
91.05470	1.8
93.07035	0.4
94.77819	0.3
95.04971	0.8
97.02916	1.4
103.05455	0.4
105.03407	0.7
105.07047	0.9
107.04959	3.9
108.05761	1.4
109.02867	0.7
109.06543	0.6
111.04447	1.2
115.05449	1.4
117.07027	1.1
118.04171	0.3
121.02866	0.5
121.06503	1.0
122.03666	0.7
123.04433	0.7
125.02354	4.3
128.06226	1.4
129.06985	1.8
131.04922	1.3
131.08592	0.6
133.06503	1.0
135.04424	1.6
136.05235	1.5
137.02357	0.7
137.05978	11.8
138.06711	0.3
139.03859	0.3
141.01791	0.3
141.06979	0.6
143.04932	1.2
143.08582	0.6
144.05676	0.8
145.06494	6.1
146.07236	1.4
147.04362	0.4
148.83635	0.3
149.02399	0.4
151.04024	3.5
151.07552	100.0
152.06290	0.3
152.07890	0.9
155.03413	5.9
157.06493	2.1
158.07292	2.0
159.04471	0.4
159.08076	2.7
160.05231	1.5
160.08844	1.3
161.06000	2.5
162.06831	0.5
165.05481	1.4
165.06943	0.7
167.03372	1.6
167.08665	0.4
169.06453	0.4
171.08089	2.3
172.05316	0.3
172.08844	5.0
173.06012	2.3
174.06802	2.8
175.03915	0.5
175.07561	8.3
176.08330	2.9
177.05516	0.4
177.09102	2.2
179.03458	0.4
179.08606	0.3
180.05684	0.5
181.05019	0.5
181.06534	1.2
182.07201	0.8
183.08119	0.9
185.05954	0.4
186.06680	0.4
187.07556	4.7
188.06718	0.5
188.08345	8.8
189.09117	41.6
190.09511	0.6
191.03447	0.5
191.08951	0.4
191.10689	2.3
194.07161	0.4
195.08046	1.2
196.08829	5.8
197.09642	0.5
198.06752	0.5
199.07536	0.5
200.08304	1.5
201.05379	0.4
201.09120	6.0
202.09900	4.9
203.06964	0.9
203.08771	0.4
203.10670	11.1
204.07878	0.7
205.06891	0.4
205.08578	1.9
207.08051	0.3
209.09477	0.4
210.10434	0.6
211.07567	1.1
212.08385	1.9
213.09132	5.3
214.09839	0.5
215.07062	0.5
215.10471	0.6
216.07753	1.3
217.05025	0.4
217.08627	1.1
218.07295	0.3
219.08276	1.0
219.10167	22.8
220.07339	0.4
221.09663	0.5
222.10466	0.5
223.07527	0.6
224.08392	0.6
225.09071	1.0
226.09886	2.2
227.10693	6.3
228.11481	0.6
229.08636	0.8
231.10173	19.8
233.09869	0.4
234.06816	0.4
234.10475	0.7
235.07623	0.5
235.09628	1.9
236.08319	0.4
237.09105	0.4
238.09862	0.9
239.10710	1.7
240.07817	0.5
241.08563	0.8
241.12262	1.0
242.12952	0.3
243.10199	0.5
248.08409	0.9
249.09145	0.9
249.11249	22.1
250.09854	0.7
251.10674	1.0
252.11603	0.5
253.08652	0.4
253.12260	0.7
254.09308	0.8
255.10197	1.1
256.10660	0.4
257.11908	0.5
261.09030	0.4
262.09860	0.7
263.08102	0.3
263.10550	1.6
265.08844	0.3
265.12299	0.8
267.10120	0.7
269.11691	1.2
270.12469	0.9
271.09570	0.9
277.08694	0.3
278.09338	0.6
279.10181	0.8
281.11636	2.1
283.09848	0.5
283.13171	0.7
291.10248	1.7
293.08304	0.4
293.11755	0.6
294.08908	0.3
295.09683	0.7
297.11060	0.7
299.12982	0.6
307.09741	0.6
308.10391	0.5
309.11160	4.6
311.12823	1.4
319.09460	0.6
321.11246	0.9
323.12885	0.6
325.10623	1.1
327.12158	1.1
337.10745	2.6
339.12195	1.8
341.14029	1.4
349.10645	0.5
355.11826	3.8
356.12552	0.7
357.13373	10.0
367.11896	2.2
373.12814	1.2
385.12851	17.9
403.13974	2.1
425.19495	0.7
493.59720	0.3
571.66058	0.4
610.31848	0.3
642.02295	0.3
690.80322	0.4
787.46448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44604	0.6
65.03930	1.9
67.01829	0.6
67.05496	1.1
68.99787	7.9
70.64523	1.4
75.05826	0.5
77.03945	0.7
81.03424	3.4
83.04966	0.9
85.02892	1.5
89.03916	2.0
91.05470	1.0
93.03400	1.9
95.04964	1.8
99.04456	1.2
105.03403	1.2
105.04546	0.8
107.04959	6.9
109.02875	3.7
111.00814	5.0
111.04448	6.6
115.05479	0.6
117.03382	1.2
117.07065	0.6
119.04932	1.7
121.02876	1.5
123.04434	52.4
127.03921	100.0
128.04251	0.9
131.04909	2.8
135.04422	53.2
137.02356	5.7
137.06033	1.3
139.03908	46.4
141.01855	0.9
141.06990	1.3
143.04874	1.2
145.02917	1.5
145.06471	0.8
147.04379	5.7
149.02345	6.0
149.05983	1.9
150.03185	0.6
150.41638	0.6
151.03912	13.8
151.73363	0.5
153.01849	0.9
153.07025	0.8
155.04939	1.6
155.06087	0.6
157.06499	1.2
159.04416	3.5
160.07520	0.6
161.02327	1.4
161.05952	3.2
163.03908	52.8
165.01842	1.0
165.05481	4.4
167.03418	5.1
169.05006	2.2
169.06497	1.7
173.02374	0.6
173.05988	5.2
175.03925	2.4
175.07613	0.8
177.05450	5.7
179.03391	9.7
181.04968	1.4
181.06451	0.8
183.04468	2.0
185.06010	1.9
187.03865	7.6
187.05234	0.9
187.07611	1.2
189.05443	3.3
191.03409	8.4
193.04974	1.6
197.06029	4.3
201.05466	10.2
203.03401	12.2
203.07071	2.2
205.04985	2.8
207.02864	1.2
207.06514	1.0
211.03966	1.0
213.05519	2.5
215.03410	2.3
215.06998	2.7
217.05014	2.4
219.06578	0.9
223.02374	0.8
225.05505	2.4
229.04968	11.3
231.06503	2.9
233.04471	3.5
237.05415	1.1
241.05002	2.5
243.02895	0.6
243.06477	4.8
245.04474	29.7
247.06023	49.5
248.06403	1.0
251.05527	1.2
253.04994	2.7
255.06479	2.8
257.04459	15.4
258.05209	1.5
259.06024	12.9
261.07632	2.6
263.05380	1.0
267.06479	1.0
269.04440	5.3
271.06018	24.4
273.07605	1.3
274.04684	1.3
275.05487	12.9
281.04340	3.1
282.05182	0.6
283.06042	8.4
285.04077	1.2
285.07285	1.0
287.05481	17.1
289.07083	31.9
290.07565	0.7
291.08670	16.0
293.04553	0.9
295.05945	3.0
297.03891	3.5
297.07181	1.1
299.05582	5.2
301.07068	15.4
303.08664	2.5
305.04620	1.1
307.06067	1.5
309.03922	3.0
309.07333	1.0
311.05594	2.0
313.07053	2.5
317.08163	0.8
321.03940	0.7
321.07608	1.2
323.05481	4.3
331.08261	1.1
337.07040	0.9
339.05191	0.7
341.06775	0.6
349.06833	0.8
351.04977	4.3
363.08853	0.9
365.06479	3.8
367.08069	1.1
377.06558	1.9
379.08102	2.7
383.07629	6.6
389.06589	2.1
391.07993	2.9
393.05975	6.1
395.07535	3.4
397.09067	3.8
401.06680	0.8
405.06033	4.7
407.07657	10.8
409.09195	25.2
411.10764	4.3
415.10486	1.0
417.05783	0.8
419.07626	2.8
421.09177	3.8
425.08691	7.8
427.10248	17.6
431.07950	0.8
433.09256	1.9
435.10739	1.8
435.48044	0.6
437.08771	4.5
439.10043	2.9
449.08450	1.6
451.10083	4.3
453.12009	2.8
517.11243	7.0
527.09656	3.6
529.11322	1.0
535.12225	3.2
545.10773	8.7
547.11932	1.4
557.10760	0.8
559.12512	1.5
571.12238	1.1
577.13440	2.4
579.15021	7.3
589.13031	1.2
616.17413	0.6
679.14459	2.0
697.15552	6.9
699.16986	0.8
715.16370	2.0
746.72510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.9
67.01878	1.2
67.05513	0.6
68.99795	7.9
69.03434	0.5
69.15775	3.3
77.03941	0.7
77.85064	0.4
79.05503	1.4
81.03432	3.1
82.20612	0.5
83.04981	0.6
85.02916	1.2
89.03936	1.4
91.05488	0.9
93.03433	2.2
95.04974	1.7
97.02888	0.5
98.21571	0.6
99.04484	1.1
103.05437	0.7
105.03400	1.5
105.04494	0.6
107.04974	4.9
109.02881	3.0
111.00820	6.0
111.04446	7.3
115.05452	1.1
117.03380	1.3
117.07075	0.4
119.04951	1.6
121.02866	2.0
123.04438	57.0
127.03925	100.0
128.04257	0.5
128.06230	0.5
129.06990	0.4
131.04935	3.2
135.04425	53.1
137.02364	3.9
137.06015	1.4
137.87566	0.4
139.03911	47.4
141.01942	0.4
141.07005	0.9
143.04907	1.4
145.02863	0.9
145.06509	1.3
147.04419	6.8
149.02364	5.9
149.05963	2.1
151.03914	13.3
151.05136	0.8
153.01791	0.8
153.05447	0.8
153.07053	0.6
155.04901	1.4
157.06511	1.4
159.04433	4.4
161.02371	0.6
161.05988	4.5
163.03918	56.4
165.01830	0.9
165.05499	5.7
167.03426	6.1
169.04982	2.2
169.06490	2.1
171.04422	0.6
173.05992	5.1
175.03879	3.1
175.07457	0.5
177.05499	6.7
179.03410	6.7
179.06995	0.5
181.04961	1.0
181.06541	1.0
183.04442	1.7
185.05991	2.1
187.03871	8.9
187.05222	0.6
187.07463	0.6
189.01810	0.6
189.05536	3.7
191.03397	9.3
193.04916	2.0
197.05991	5.0
199.03859	1.0
199.07576	0.8
200.04662	0.4
201.05476	9.3
203.03413	9.9
203.07047	3.1
205.04984	3.3
207.02858	0.7
207.06541	1.2
209.06059	0.6
211.03911	0.9
211.07687	0.4
213.05461	3.5
215.03514	3.5
215.07016	3.5
217.04984	2.0
219.06496	1.5
223.02419	0.9
223.07559	0.5
225.05510	2.3
227.03510	0.5
227.07095	1.0
229.04980	12.5
231.02888	0.9
231.06474	2.1
233.04466	4.8
237.05470	1.4
239.07040	0.7
241.04977	3.1
243.06511	5.7
244.03741	0.6
245.04474	47.5
246.04898	0.7
247.06036	42.8
249.05388	0.6
251.05484	0.9
253.05005	2.7
255.06551	2.3
257.04462	14.8
258.05115	1.1
259.06030	8.7
261.07587	2.4
263.05527	1.3
265.05081	1.0
267.06659	0.8
269.04462	4.3
270.05267	0.6
271.06030	27.2
272.06473	0.6
273.03720	0.4
273.07611	1.4
274.04626	2.3
275.05508	17.7
277.04947	0.6
279.06598	0.5
281.04413	2.2
283.06021	11.3
284.06686	0.5
285.03922	1.5
285.07501	1.4
287.05518	20.0
289.07086	31.6
291.08649	23.1
292.09003	0.4
293.04425	0.7
295.05975	2.8
297.04010	1.5
297.07379	0.6
299.05505	5.5
301.07101	13.7
303.05130	0.7
303.08597	2.1
307.06015	1.4
309.03912	1.9
309.07260	0.6
311.05496	1.9
313.07080	2.1
321.07504	0.8
323.05554	2.5
325.07169	0.5
329.06540	0.7
331.08118	1.4
335.05585	0.6
337.06952	0.7
339.04941	0.5
339.08612	0.9
341.06625	0.7
349.07126	0.6
351.04956	2.6
361.07071	1.6
363.04816	0.7
363.08749	0.9
365.06516	2.1
367.08096	0.7
376.05350	0.6
377.06735	1.4
379.08224	2.9
383.07651	3.3
389.06775	2.0
391.08142	2.4
393.06039	3.6
395.07663	1.3
397.09116	5.9
403.08261	0.6
405.05954	4.0
407.07654	18.1
409.09216	25.4
410.09479	0.5
411.10632	4.3
415.08582	0.4
419.07629	3.9
421.09235	3.5
423.06570	0.4
425.03107	0.6
425.08667	8.3
427.10300	17.6
428.10339	0.4
431.07712	0.9
433.09274	2.3
435.11096	1.0
437.08731	7.6
439.10193	2.5
449.08365	2.0
451.10257	4.8
453.11661	1.2
517.11432	2.7
527.09717	3.6
527.48212	0.4
528.11664	0.4
535.12787	2.2
541.11084	1.2
543.13007	0.5
545.10828	5.2
557.10388	0.5
559.12146	1.3
561.13556	0.6
571.11987	1.3
577.13568	2.2
579.15070	7.8
589.12970	1.0
679.14270	1.5
697.15833	3.3
699.16772	0.7
715.16803	2.0
826.96814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02374	0.6
65.03925	1.3
65.05789	0.5
67.05513	0.8
68.99783	7.7
69.57605	3.4
77.03941	0.7
79.05499	0.7
81.03402	4.2
83.04971	1.2
85.02907	1.3
89.03927	2.0
91.05479	0.8
93.03407	2.3
95.04972	1.6
99.04421	1.2
103.05462	1.0
105.03384	0.6
105.04543	0.8
107.04950	5.2
109.02880	4.3
111.00794	6.9
111.04443	7.2
115.05458	0.8
117.03372	2.2
119.04963	1.7
119.15572	0.6
121.02874	1.9
123.04425	58.3
127.03915	100.0
128.06221	0.6
131.04948	3.0
133.06433	0.6
135.04414	53.8
137.02376	4.0
137.03252	0.7
137.05997	0.7
139.03900	44.2
141.07016	0.9
143.04916	1.2
145.02869	0.9
145.06503	0.6
147.04399	8.0
149.02357	7.2
149.05980	1.6
149.27664	0.7
151.03909	14.1
153.01852	0.7
153.06950	0.7
155.04948	2.1
157.06464	1.5
159.04442	5.2
160.28819	0.6
161.02347	0.8
161.05988	4.8
163.03906	55.5
165.01791	1.4
165.05492	4.2
165.06683	0.7
167.03397	5.5
169.04970	2.9
169.06491	2.2
173.05969	4.3
175.03896	2.8
177.05490	7.1
179.03406	8.1
181.04942	2.0
181.06534	1.5
183.04422	2.3
185.05952	1.9
185.07545	0.6
187.03857	8.0
187.05273	0.9
187.07477	0.8
189.01848	0.8
189.05502	2.6
191.03387	9.6
193.04971	2.1
197.06020	3.9
199.03828	0.9
201.05470	10.0
203.03397	13.0
203.07036	2.6
205.04962	2.7
207.02959	0.9
207.06555	0.9
211.03949	1.2
213.05504	3.1
215.03285	2.5
215.07042	3.6
217.05031	2.3
219.06525	0.8
223.02299	0.8
225.05472	2.7
227.06992	0.8
229.04961	12.0
231.02983	0.5
231.06577	2.1
233.04402	6.0
237.05403	1.2
241.04977	2.8
243.06516	5.5
244.03702	0.9
245.04454	59.4
247.06026	48.3
253.04982	2.4
255.06511	3.6
257.04456	14.6
258.05252	1.8
259.06006	10.0
261.07666	2.4
263.05545	1.2
265.05087	1.5
267.06656	0.8
269.04474	3.2
270.04880	0.7
271.06006	26.0
273.03796	0.6
273.07553	1.7
274.04721	3.0
275.05493	19.6
279.06564	1.1
281.04443	1.6
283.06006	12.1
285.03912	1.6
285.07382	0.9
286.04422	0.8
287.05502	19.7
289.07059	30.6
291.08640	17.2
293.04486	0.7
295.05826	2.6
297.03946	2.3
297.07367	1.2
299.05484	6.0
301.07068	9.8
303.05072	1.4
303.08603	2.3
307.06003	1.3
309.03946	1.9
311.05545	2.2
313.07077	2.5
315.04999	0.6
321.07568	1.3
323.05331	2.8
325.06708	0.8
331.08224	2.3
335.05460	1.0
345.07608	0.9
349.06976	0.9
351.04935	2.1
361.07297	1.6
363.08780	1.1
365.06583	1.7
367.08206	0.9
375.04657	0.7
377.06613	1.1
379.08237	3.6
383.07584	2.9
389.06580	2.3
391.08173	1.8
393.05969	4.2
395.07562	1.5
397.09250	8.1
401.06879	1.1
403.08215	0.7
405.06036	3.7
406.87088	0.6
407.07620	22.0
409.03674	1.3
409.09192	25.7
411.10837	3.1
419.07605	4.1
421.09097	2.6
425.08633	9.3
427.10229	15.4
433.09177	2.1
435.10986	1.0
437.08728	8.5
439.10263	1.8
449.08615	2.4
451.10175	5.2
453.11816	1.1
517.11273	2.8
527.09796	2.1
529.11102	1.1
535.12463	1.4
541.11060	1.5
545.10864	6.0
557.10577	0.8
559.12598	3.0
571.12067	0.9
577.13153	2.4
579.15186	7.3
589.13245	0.9
679.14459	2.0
697.15704	4.3
699.16534	1.0
715.16492	1.3
845.93604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	8.8
71.53036	10.1
124.37495	7.1
129.07031	9.2
136.00771	6.5
137.05980	58.9
145.06560	13.5
151.07545	22.0
157.06528	18.5
162.06822	7.7
172.08885	8.4
173.05995	15.3
174.06667	7.8
175.07567	23.1
176.08350	7.4
177.09129	12.0
187.07573	11.5
188.08371	13.7
189.09125	100.0
190.37025	8.2
201.09164	29.6
203.10692	25.2
205.08708	9.1
231.10179	25.7
241.08589	18.7
249.11205	27.4
291.10098	11.9
409.89920	6.8
711.24042	18.2
729.25574	13.7
860.47906	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	861.5336
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.6
62.32188	0.3
65.03960	0.5
67.05511	5.6
69.03435	2.9
69.07076	4.5
69.07428	0.5
70.98160	0.8
71.04987	1.8
73.02928	3.1
77.03934	0.5
79.05499	4.2
81.03413	3.0
81.07065	7.6
83.05000	0.8
83.08627	0.8
85.02914	4.3
87.04479	0.5
89.92007	0.3
91.03957	2.2
91.05013	0.6
91.05483	2.8
93.07044	4.6
95.04975	0.7
95.08607	4.1
97.02890	3.7
97.10215	0.5
99.04479	1.1
101.02396	1.4
103.05470	0.8
105.03419	0.5
105.07063	1.9
107.08607	3.2
109.02837	0.4
109.10180	3.3
115.05477	2.9
117.07038	1.8
119.08595	1.8
121.10180	1.4
123.11733	1.4
123.57806	0.4
125.09632	0.5
125.56120	0.4
127.03947	1.2
128.06256	1.1
129.07013	4.4
131.04988	1.5
131.08612	1.6
133.10170	1.5
135.04428	38.8
135.11713	1.3
136.04793	0.4
136.25475	0.3
137.06029	1.3
137.13338	0.4
141.07072	0.4
143.05008	2.2
145.05078	0.3
145.05478	0.4
145.06488	2.3
145.10175	0.7
147.11743	1.3
149.02374	1.9
149.13336	0.9
151.03975	0.4
151.07541	2.0
157.06494	3.7
159.04469	0.8
161.06046	1.6
161.13326	0.4
165.05534	0.5
167.08578	0.5
173.05998	12.2
173.13342	0.6
175.07632	1.5
183.08115	0.7
185.04282	1.0
185.05954	4.7
186.06824	1.6
187.07562	4.6
189.09166	0.8
189.70465	0.4
197.06065	0.7
199.07663	0.7
201.09212	0.9
203.07048	5.3
203.08739	0.4
203.98502	0.4
215.07018	4.1
215.08803	0.4
215.10818	0.5
227.10748	0.6
233.08047	2.5
243.08252	2.0
269.15506	0.5
335.25934	1.0
365.23074	3.4
369.13437	0.8
369.20615	0.5
412.61249	0.4
421.25867	0.5
485.23584	0.6
505.25797	0.6
519.29364	6.0
583.31030	4.7
629.37476	0.5
630.71729	0.4
691.40417	0.6
843.47931	0.5
861.53442	100.0
862.53815	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	11.9
69.07066	7.1
70.06578	5.5
70.45166	3.2
70.83007	10.2
79.05486	12.4
81.03414	9.4
81.07052	10.7
83.04972	5.1
86.09700	11.7
91.05493	10.1
92.20420	3.7
93.07037	6.7
95.08592	4.6
95.36504	3.4
97.06547	4.8
103.05477	4.2
105.07038	8.4
107.08592	5.3
114.12823	6.7
115.05448	4.4
115.08997	3.5
123.04381	4.0
125.00031	9.1
129.06970	8.1
133.10167	4.5
136.05261	6.6
136.06195	43.7
137.05995	35.1
140.50548	3.4
145.06482	15.8
151.03885	7.6
151.07594	31.7
157.06456	6.0
158.07184	4.5
159.08063	12.0
160.08850	7.7
172.08882	12.2
174.06732	5.6
175.07555	16.7
176.08380	5.7
177.09119	9.9
184.07384	31.3
187.07570	12.5
188.08365	21.6
189.09128	100.0
191.03415	4.3
191.10571	4.8
200.08266	4.5
201.09142	15.0
202.09856	11.2
203.10690	40.6
205.08485	4.5
213.09073	7.4
219.10194	12.3
231.10170	40.2
249.11240	63.9
267.15909	4.1
279.10147	4.5
307.09805	4.6
321.11102	8.1
337.10648	8.2
351.12387	8.8
368.12692	10.1
369.13367	13.0
396.81201	3.6
404.69870	3.7
551.27844	5.0
561.54797	4.3
633.20520	8.8
651.22235	4.5
663.21692	10.9
681.22723	9.9
711.23773	12.5
801.57159	4.5
859.47333	4.6
860.48914	30.3
861.49933	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	859.4805
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02937	3.6
65.03947	0.6
67.05511	6.3
69.03429	3.0
69.07069	3.4
70.06594	1.4
71.05023	1.1
71.52390	0.6
73.02924	2.4
74.05846	0.6
76.79900	0.6
79.05510	4.9
81.03427	1.9
81.07066	7.1
83.04994	1.3
83.08623	1.7
85.02919	2.9
85.06568	0.6
91.03973	1.9
91.05497	5.0
93.07049	5.2
95.04985	1.2
95.08616	3.8
97.02892	3.6
97.06528	1.0
97.10239	1.2
99.04459	0.7
101.02395	1.2
105.07050	3.4
107.08607	3.1
109.02913	0.8
109.10166	2.8
116.07080	0.9
117.07051	0.7
119.08621	1.9
121.10186	1.9
123.11726	0.6
125.09651	0.8
127.03951	0.6
129.07025	0.9
131.08592	1.6
133.10158	2.2
135.11710	1.6
137.45598	0.6
145.10126	1.3
147.11713	1.0
149.13332	0.7
159.11804	1.0
161.09692	0.6
173.13344	0.8
184.07480	0.7
187.86409	0.5
209.53011	0.6
223.13429	1.0
243.08438	3.9
265.58850	0.6
286.31866	0.6
291.19629	1.1
331.18790	1.5
333.20541	1.4
335.25970	0.8
387.21558	0.8
389.22983	0.8
439.19421	1.0
453.21030	1.1
499.38345	0.6
517.39124	2.3
520.85760	0.6
549.26630	6.4
551.28522	6.1
758.22211	0.6
859.48145	100.0
860.48700	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	858.449
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	5.2
65.03938	1.6
67.05510	13.1
68.12970	0.2
69.03436	20.3
69.07072	0.5
70.06603	0.4
70.80527	0.3
70.80867	0.3
71.01360	0.3
71.05000	8.9
73.02917	2.4
73.06569	0.2
79.05497	1.6
81.03423	5.7
81.07078	1.4
83.01354	0.5
83.04983	1.9
83.08630	0.2
85.02911	66.0
85.06549	7.6
85.07068	0.2
86.03277	0.2
86.23929	0.2
87.04480	4.2
91.03964	2.8
91.05493	0.9
92.59806	0.2
93.07049	1.2
93.78032	0.2
95.04977	41.2
95.08636	0.4
97.02901	20.2
97.06538	5.2
99.04464	2.9
99.08078	0.2
101.02406	0.5
101.06029	1.4
103.03951	0.9
103.05447	0.2
103.09131	0.2
105.07033	1.8
107.04967	0.3
107.08611	1.1
109.02891	6.0
109.06538	0.8
109.10149	0.3
111.04462	3.0
112.66235	0.2
113.06015	100.0
114.06344	0.4
115.03928	0.7
117.05489	0.3
117.07029	0.6
119.08600	0.7
121.06532	0.5
121.10163	0.4
123.04422	0.5
123.08065	0.3
125.05986	0.5
127.03931	17.1
127.07565	0.6
128.01837	0.2
129.05540	0.5
129.07005	0.4
131.08588	0.5
133.06520	0.3
133.10133	0.8
135.04414	0.4
135.11703	0.4
136.06207	0.7
137.05983	0.7
139.03842	0.2
143.08543	0.4
145.04971	29.8
145.08607	23.9
145.10022	0.6
147.04387	0.2
147.08031	0.3
147.11713	0.6
149.06000	0.3
151.07596	0.4
153.05504	0.2
155.07083	0.4
157.10118	0.2
159.11702	0.7
161.09633	0.2
161.13228	0.3
163.06035	10.2
165.05489	0.3
167.07034	0.3
171.06593	0.2
173.09682	0.4
173.13319	0.5
175.07605	0.3
175.14809	1.4
179.07076	0.5
183.11684	0.3
185.13304	0.2
187.05916	0.2
189.07607	3.8
189.09172	0.3
193.08673	0.3
195.06551	0.3
204.08699	0.3
211.09525	0.2
213.07584	0.4
219.10092	0.2
221.08015	0.5
231.08702	0.3
239.09135	2.1
257.10193	6.2
270.97888	0.2
271.08206	0.7
275.11273	4.1
289.09283	1.8
325.11325	13.0
337.21677	0.7
355.22644	2.4
373.23764	36.8
374.24081	0.5
414.26413	1.1
858.41833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	4.7
65.03941	1.5
67.05509	14.9
69.03435	19.8
69.07066	0.5
69.25565	3.1
71.04998	8.5
73.02926	1.8
79.05507	2.9
81.03421	4.2
81.07050	3.2
83.01353	0.4
83.04997	1.8
85.02912	49.0
85.06548	7.2
87.04474	3.6
91.03974	2.6
91.05459	1.6
93.07045	3.1
95.04977	35.9
95.08622	2.4
97.02901	14.5
97.06532	5.8
99.04471	2.2
101.06055	0.8
105.07033	2.9
107.08584	2.6
109.02894	4.1
109.06547	1.0
109.10187	0.9
111.04452	1.0
113.06015	100.0
114.06339	0.4
115.03917	0.7
117.07017	0.8
119.08590	2.3
121.06525	0.4
121.10150	2.2
123.04480	0.3
123.08082	0.5
125.05979	3.5
127.03929	11.3
129.07021	0.5
131.08591	1.7
133.10143	1.7
135.11729	1.1
136.06213	0.7
137.06001	1.1
139.03934	0.6
139.07526	0.4
143.08556	0.9
144.06522	0.4
145.04976	19.0
145.08611	15.4
145.10120	1.8
147.08035	0.4
147.11693	2.1
149.06007	0.5
149.13239	0.5
151.07466	0.4
153.05472	4.9
155.07071	3.0
155.08368	0.6
157.10156	1.2
159.11690	2.7
161.05980	0.4
161.13225	1.0
162.07730	0.9
163.06042	6.5
163.07425	0.7
167.07069	0.5
169.10117	0.6
171.11679	0.8
173.13281	0.8
175.07561	0.5
175.13495	0.3
175.14859	1.9
179.07173	0.7
181.08606	0.4
181.10136	0.5
183.11723	0.8
185.13283	1.4
187.14850	0.8
189.07587	2.6
189.09120	0.5
189.16428	0.9
195.11702	0.7
197.13307	0.9
199.14821	0.9
201.16365	3.0
201.17863	0.3
203.10689	0.5
203.17851	0.5
207.11819	0.4
209.13289	0.6
211.14874	0.5
213.07509	0.5
213.16365	0.9
215.17938	0.8
217.12251	0.4
221.13344	0.4
223.14842	0.5
235.14949	0.8
239.09155	1.6
241.12331	0.5
249.16467	0.5
253.19701	0.4
255.13757	0.5
257.10229	3.8
275.11295	2.9
277.19516	1.0
289.09146	0.8
291.21124	1.2
309.22165	1.2
319.20551	1.1
325.11310	7.1
325.14957	0.5
337.21631	6.6
355.22702	14.7
373.23773	69.9
374.24118	1.6
414.26236	1.2
435.31738	0.4
458.31531	0.3
485.29041	0.6
517.31659	13.5
518.31616	0.4
749.90637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5782
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54839	1.7
65.03931	6.4
67.05509	100.0
69.03426	3.9
69.07069	24.1
69.16277	6.8
69.16698	10.6
71.05005	13.5
79.05493	66.9
81.03428	11.0
81.07059	87.7
83.05002	9.1
83.08622	15.2
83.20695	2.1
85.02892	5.8
85.06528	5.2
87.39136	2.0
90.23027	2.1
91.04916	1.8
91.05483	44.3
93.07047	76.5
95.04980	9.4
95.08605	45.9
97.02879	2.4
97.06537	10.4
97.10157	5.8
98.21523	4.3
99.08064	3.1
105.07043	34.0
107.04937	3.6
107.08595	45.6
109.02902	2.6
109.06518	6.9
109.10156	37.3
111.08078	4.4
117.07017	17.7
119.08582	28.3
121.06520	3.6
121.10154	32.8
123.08078	3.9
123.11711	7.3
125.09649	3.7
129.06979	5.3
131.04924	2.4
131.08574	21.5
133.10138	21.4
135.08032	5.8
135.11702	14.6
137.09509	2.7
143.08601	4.7
145.10117	15.7
147.08162	2.0
147.11725	11.9
149.09627	6.7
149.13268	13.9
151.11139	3.4
155.08589	2.8
157.10136	4.8
159.11691	16.9
161.13272	6.7
163.11191	4.5
163.14906	2.0
171.11728	3.8
171.15819	2.0
173.11743	4.7
173.13264	7.2
175.14851	2.0
177.16408	2.0
183.11696	3.8
185.13225	4.1
187.14825	3.3
189.14294	2.1
189.16211	1.8
195.13860	3.9
197.13177	2.3
199.14847	2.1
201.16377	2.6
219.17484	2.9
220.48622	1.9
227.12791	6.3
229.14339	24.6
231.46696	1.6
239.18036	2.3
243.21072	2.8
253.17854	2.3
257.19055	4.4
261.22141	12.1
269.17401	12.1
275.20129	15.3
277.64655	2.0
293.21118	2.0
331.22650	3.1
333.24405	2.0
335.25818	79.3
339.17862	2.3
349.23746	15.7
381.26065	2.6
413.21899	10.7
453.24741	3.0
489.35587	18.6
507.36795	2.8
529.38922	84.8
530.38818	2.2
569.42010	32.0
609.45123	33.3
627.46002	3.8
641.48016	14.7
673.42615	8.0
857.48260	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	856.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	3.0
65.03951	3.3
66.12284	1.4
67.05510	100.0
69.03426	4.7
69.07073	18.4
70.76503	3.4
71.01358	2.0
71.04989	5.2
73.02900	4.0
79.05501	41.0
79.05965	2.1
81.03432	9.3
81.07064	60.2
83.04967	7.4
83.08631	15.8
85.02908	14.8
85.06561	2.7
87.04465	6.3
91.03943	1.8
91.05486	25.9
93.07049	46.4
95.04977	6.4
95.08617	40.7
97.02908	3.7
97.06519	5.8
97.10178	15.2
97.47225	1.4
99.04501	1.6
105.07041	15.4
107.04937	4.2
107.08591	23.9
109.06492	2.0
109.10163	57.2
111.04474	2.1
111.08107	4.7
115.05482	2.2
116.04683	2.0
117.07021	7.3
119.08593	16.9
121.10149	17.4
123.08075	3.3
123.11732	4.0
125.09639	18.9
129.05487	3.4
129.07027	2.9
131.08586	10.5
132.09178	1.3
133.10112	8.9
135.08055	1.7
135.11707	13.7
136.41370	1.7
137.09613	2.6
139.64998	1.5
143.10703	2.8
145.10115	9.0
145.26099	1.5
147.11690	4.9
149.13255	3.3
151.11258	2.0
153.12764	2.8
155.08664	1.6
155.10678	5.0
159.11720	7.9
161.13220	3.4
163.11212	5.1
163.14891	3.1
173.11763	15.1
173.13315	5.5
181.12337	1.6
187.14871	2.5
193.12209	3.6
199.13286	8.8
209.11768	5.5
227.12782	8.8
229.14366	52.0
230.15030	2.0
231.65039	1.8
243.21117	3.8
245.13464	1.5
261.22147	14.9
267.15967	3.9
275.69421	1.6
301.16473	13.2
317.24445	1.8
335.25854	85.7
351.25204	1.7
363.25391	2.6
399.23883	20.8
477.35672	6.1
489.35849	16.3
543.36871	2.3
561.37762	5.6
579.38562	4.4
659.45251	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	856.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.6
65.03923	5.1
66.84705	1.0
67.05510	91.4
69.03437	10.9
69.07073	44.1
70.06597	6.3
70.71189	0.9
71.05001	7.2
71.08603	1.2
71.36736	1.5
73.02916	2.1
77.03922	2.0
79.05498	73.8
81.02979	1.6
81.03421	15.9
81.07063	100.0
83.04992	16.5
83.08622	21.6
85.02913	7.0
85.06554	5.9
87.04500	1.0
91.05487	66.8
93.07050	79.5
95.04983	13.8
95.08614	47.4
97.02892	6.9
97.06540	23.0
97.10178	11.2
99.04444	2.2
99.08110	6.3
101.06009	1.2
103.05478	2.7
103.90807	1.0
105.04523	2.3
105.07039	56.5
107.04955	12.9
107.08605	52.0
109.02858	3.2
109.06522	8.4
109.10169	18.0
111.08101	7.9
113.06013	1.7
113.09632	2.3
115.05450	2.7
116.07091	3.0
117.07025	26.7
119.08593	39.1
121.06522	7.8
121.10157	27.3
123.08056	6.5
123.11689	5.5
125.09635	11.3
127.03907	4.1
128.06242	2.5
129.05481	3.3
129.06987	8.6
130.07712	1.6
131.08577	31.9
133.06502	2.3
133.09123	1.7
133.10141	35.3
134.97139	1.1
135.08066	7.1
135.11697	22.0
137.06039	1.0
137.09610	5.1
139.07603	1.4
139.11169	3.2
141.06992	3.6
142.07784	3.4
143.08569	9.0
144.09349	1.6
145.06488	2.6
145.10135	26.7
147.08026	3.1
147.11702	16.7
149.09645	18.6
149.13274	19.2
151.11169	4.0
154.07797	1.9
155.08556	7.0
157.10114	8.3
159.08031	1.7
159.11722	23.4
161.09642	4.3
161.13300	5.5
163.11189	12.9
163.14893	1.3
165.09167	1.4
167.69026	1.3
169.10107	5.6
171.10341	1.4
171.11710	7.4
173.04439	3.3
173.09669	2.3
173.11896	1.6
173.13287	8.0
175.11183	2.0
175.14893	1.4
177.11455	1.2
177.12781	7.2
179.14328	4.5
181.10146	2.5
181.12166	2.2
183.11647	5.1
184.07367	1.6
185.13239	3.4
187.11162	2.3
187.14867	2.5
189.11198	4.4
189.12766	1.8
195.13829	8.1
197.13257	4.5
199.14828	1.5
201.12645	2.6
201.16306	1.1
203.14389	1.3
205.12238	1.6
211.14862	1.4
213.14813	1.4
215.14467	1.5
215.17912	2.0
221.13411	1.2
227.12807	13.6
228.12976	1.1
229.14232	1.6
229.19548	3.9
233.15442	1.8
239.18013	5.1
241.19608	1.2
245.13954	1.7
247.20540	3.1
251.16315	2.6
253.14388	2.8
253.17824	1.3
255.15906	15.6
257.19028	14.5
267.15985	3.2
269.17487	50.2
273.18503	1.6
275.20071	43.4
283.05988	1.3
293.21078	4.2
313.07037	3.2
314.07227	2.2
331.22745	3.9
339.18411	1.2
339.22842	1.4
347.22375	1.3
349.23746	43.2
367.24860	7.4
413.21750	2.0
423.27612	1.8
431.28067	2.1
433.11041	2.4
435.27533	3.2
439.26874	1.5
445.29538	2.0
449.29059	26.5
451.32578	1.6
463.24203	2.0
463.30603	35.5
465.28400	1.4
503.33829	1.5
511.34384	1.3
515.37250	1.6
519.33075	1.4
525.35748	5.2
529.35327	8.5
543.36829	49.9
547.36188	2.2
561.38129	7.2
593.32922	1.4
595.43848	1.3
607.34137	2.3
623.43378	8.5
641.43964	7.5
694.46021	1.3
824.39716	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	50.8
61.15186	1.0
65.03942	2.9
67.05510	64.8
69.03429	7.6
69.07078	11.4
70.43006	3.2
71.04997	2.8
71.08633	1.0
73.02922	22.6
75.04499	1.2
79.05502	37.0
81.03431	5.2
81.07063	82.5
83.04967	1.8
83.08629	8.6
85.02913	62.0
85.06548	2.8
91.03962	62.4
91.05479	21.4
93.07053	50.4
95.04984	2.4
95.08616	59.0
97.02901	34.1
97.06547	2.3
97.10172	4.1
99.04493	4.9
99.08079	2.7
101.02426	1.4
105.04514	1.1
105.07037	16.2
107.08604	34.7
109.02872	2.0
109.06507	1.6
109.10167	35.9
109.10928	1.8
111.08057	1.6
113.09708	1.2
115.03939	3.6
116.21426	1.0
117.07027	10.0
119.08591	14.9
121.10151	33.2
123.08114	1.1
123.11716	17.0
125.09608	1.3
127.03921	24.3
131.08580	21.6
133.10146	12.9
135.11711	28.4
137.09596	1.6
137.13263	7.1
139.11179	1.3
145.04977	31.7
145.10130	15.0
147.11702	11.4
149.12183	1.9
149.13277	19.7
149.14400	2.0
151.11143	2.3
151.14818	2.7
159.11705	12.3
161.13274	10.7
163.06029	65.0
163.11253	1.3
163.14830	17.7
165.12814	2.2
173.13292	14.1
175.14824	3.4
177.12779	2.2
177.16406	5.4
179.14311	3.2
187.14850	8.8
191.14297	2.1
201.16400	3.8
204.08678	1.4
219.17462	1.8
233.22711	2.7
234.85486	1.1
243.21118	34.6
261.22168	100.0
262.22546	1.0
263.23709	2.9
277.85034	1.0
279.23218	4.5
325.11237	6.2
335.25821	34.3
336.25485	1.6
353.26895	93.0
387.25253	1.0
497.31256	10.0
503.93774	1.1
659.35864	1.7
674.38715	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.2
66.17736	0.9
67.05507	49.0
68.73935	1.0
69.03440	10.7
69.07072	37.5
69.93264	3.3
71.04981	3.8
77.03949	1.4
79.05495	44.3
81.03081	0.9
81.03427	10.4
81.07061	53.0
83.04996	9.3
83.08626	16.8
83.09073	2.1
85.02915	3.7
85.06548	2.5
90.97612	1.1
91.03962	1.2
91.04901	1.7
91.05483	37.0
93.07047	40.3
95.04990	12.1
95.08613	25.5
96.06153	1.1
97.02905	9.6
97.06554	10.6
97.10175	14.9
98.21421	1.3
99.08066	1.9
99.52956	1.1
105.04526	2.2
105.06315	1.6
105.07033	30.1
107.04969	9.0
107.08598	29.8
109.02901	1.2
109.06553	6.0
109.10150	14.2
111.04479	1.8
111.08054	3.7
115.05505	2.0
116.07126	1.0
117.07027	15.5
119.04913	1.2
119.08590	23.0
121.06506	4.4
121.10142	13.1
123.08086	6.1
123.11675	1.8
125.09635	11.9
127.03899	2.5
128.06235	2.2
129.05562	1.3
129.07031	4.8
131.08574	15.3
133.06523	5.4
133.10139	14.9
134.07269	2.0
135.08034	5.1
135.11676	8.8
136.49864	1.1
137.09608	3.4
141.07028	1.5
142.07770	1.1
143.08525	6.0
145.06534	1.7
145.10129	12.1
147.08037	5.3
147.11668	8.1
149.09627	9.7
149.13260	6.3
151.11177	2.5
155.08577	1.9
157.10150	5.7
159.11711	9.9
161.09616	3.2
161.13277	2.8
163.11177	6.8
165.09152	2.1
165.12817	1.1
169.10130	2.3
171.11671	2.5
173.04533	1.2
173.09636	2.0
173.13261	4.2
175.11189	2.9
175.14801	1.1
177.12773	4.9
179.14307	2.4
181.10033	1.1
183.11775	2.3
185.13315	2.0
187.11197	1.9
187.14793	1.2
189.11229	6.0
195.13802	3.1
197.13303	1.3
205.12230	2.4
223.13269	20.3
227.12819	11.3
229.19505	2.1
237.14517	1.1
239.17946	1.5
245.18913	1.5
249.14908	4.1
253.14337	4.2
255.15788	7.1
257.18961	4.8
267.15726	2.2
269.14792	0.6
269.17499	19.4
273.18497	14.8
275.20096	19.3
291.19547	100.0
292.20038	1.2
293.21082	1.8
309.20648	1.6
331.22644	1.8
347.22250	3.1
349.23773	20.2
365.23254	43.9
367.24484	1.4
375.43701	1.2
461.29077	2.5
519.32861	1.2
527.33698	1.6
535.32446	2.1
541.35071	3.3
545.34808	20.2
557.33008	1.2
559.36316	55.8
560.36169	1.8
621.41150	3.1
639.42511	28.4
657.43347	4.5
854.44977	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	854.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.1
61.22671	1.0
65.03934	2.6
66.04685	1.1
67.05511	51.5
69.03437	11.5
69.07075	35.3
69.57653	7.5
71.04995	4.0
73.02914	1.5
79.05499	48.6
81.03435	10.9
81.07064	53.1
83.04995	8.7
83.08626	15.0
85.02914	4.0
85.06553	2.6
91.03943	1.5
91.05492	35.1
91.91422	1.0
93.07053	44.6
93.07642	2.4
95.01336	1.2
95.04982	12.1
95.08614	21.7
97.02905	10.4
97.06540	13.4
97.10185	12.7
99.08116	1.8
103.05489	2.1
105.06311	1.5
105.07035	28.4
107.04963	12.2
107.08604	31.0
109.02887	1.6
109.06526	7.2
109.10164	14.8
109.94675	1.0
111.04426	1.5
111.08103	4.2
115.05477	2.3
117.07023	16.5
119.04908	1.7
119.08584	22.3
121.06552	5.3
121.10151	13.4
123.04369	1.1
123.08096	5.8
123.11736	3.0
125.09624	9.3
127.03887	1.2
127.07544	1.1
128.06195	1.5
129.07002	4.7
130.07793	1.8
131.08591	15.8
133.06474	3.5
133.10136	21.3
135.08069	7.3
135.11694	8.4
137.09651	3.3
139.11174	1.3
141.07001	2.6
142.07814	1.4
143.08580	4.9
145.06493	1.7
145.10114	13.6
147.08060	4.6
147.11723	7.9
149.09634	7.8
149.13248	10.0
151.11227	4.7
155.08519	1.4
157.10152	4.7
159.11731	8.0
161.09647	4.4
161.13260	3.1
163.11238	5.6
165.09106	1.8
169.12247	2.1
171.10345	1.4
171.11711	3.3
173.09613	1.1
173.13336	2.4
175.11241	3.2
177.12750	4.2
179.10646	1.0
179.14368	1.7
181.12213	2.2
183.11723	1.9
185.13292	1.8
189.11249	3.6
189.12794	1.4
195.13858	5.5
197.13173	1.2
201.12849	1.7
203.14314	1.1
205.12218	1.8
215.12794	1.2
221.11810	1.3
223.13287	16.8
227.12752	8.7
227.17845	1.2
239.18013	2.2
245.19057	1.5
247.20596	1.2
249.14896	3.1
253.14343	10.4
255.15746	6.6
257.19177	5.2
266.94696	1.1
267.15970	2.2
269.17465	26.8
273.18500	15.9
275.20084	16.6
285.14386	1.2
291.19568	100.0
292.19919	1.5
293.21182	1.5
309.20795	1.5
347.22305	3.7
349.23770	16.6
365.23248	49.9
366.23816	1.7
367.24832	2.9
395.19568	1.1
527.33606	2.0
541.34924	3.6
543.37042	1.6
545.34778	16.8
559.36310	73.1
560.36749	1.4
621.41254	2.0
639.42505	20.1
657.43518	3.4
682.34839	1.7
703.40479	2.3
854.45959	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	853.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	7.2
65.03938	0.6
66.56247	0.5
67.05511	7.6
69.03433	5.5
69.07090	0.8
71.05006	0.7
71.52842	0.8
73.02924	6.0
79.05508	3.4
80.63559	0.5
81.03418	2.4
81.07072	4.5
83.08652	0.5
85.02910	8.0
91.03962	4.8
91.05502	2.1
93.07058	3.3
95.05010	1.0
95.08629	2.4
97.02889	7.7
99.04475	1.2
101.02397	1.8
105.07053	1.6
107.08608	1.7
109.02910	1.2
109.10166	3.7
117.07059	0.7
119.08607	0.8
121.10148	1.1
127.03937	3.2
131.08621	0.6
133.10178	1.1
135.11752	0.6
145.05046	0.6
151.11176	0.5
173.11806	0.8
185.04291	1.0
195.10072	0.6
203.05356	1.0
212.76718	0.6
226.42070	0.5
229.14432	0.7
243.08470	2.4
250.85057	0.5
291.19839	0.8
302.89972	0.5
335.25928	0.9
336.67813	0.5
347.09549	3.1
365.10556	1.4
405.13751	6.9
413.17905	5.9
519.29309	7.4
575.23108	5.3
681.34692	7.6
691.40210	2.3
853.45605	100.0
854.45764	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	852.511
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	19.3
69.03439	8.5
69.07075	25.3
69.44170	5.8
71.04986	2.4
72.11934	0.8
73.39787	0.7
79.05496	22.0
81.03417	4.5
81.07058	16.8
81.07532	1.1
83.04990	3.3
83.08621	8.0
91.05486	15.1
93.07051	12.7
95.04968	6.1
95.08618	9.7
97.02899	8.2
97.06544	3.4
97.10173	10.7
103.05454	0.9
104.27055	0.7
105.07046	10.2
107.04974	7.0
107.08608	11.0
107.15694	0.8
109.02937	0.9
109.06509	2.2
109.10168	7.0
111.04454	1.0
111.08089	1.9
115.14513	0.7
116.06356	0.9
117.07023	7.6
119.08601	10.9
121.06538	1.9
121.10156	3.6
123.08074	3.7
125.09649	8.8
127.07713	0.7
129.06979	3.7
130.07785	1.3
131.08598	6.7
133.06503	3.4
133.10178	4.9
135.08051	3.1
135.11694	2.9
137.09637	1.4
142.07750	1.1
143.08568	3.2
145.06497	0.9
145.10167	5.2
147.08025	6.8
147.11743	2.4
149.09615	1.1
149.13260	2.4
151.11131	0.8
153.09169	1.0
157.10120	3.1
159.11728	2.5
161.09686	2.5
163.11218	1.2
165.09119	1.7
171.10307	1.0
171.11723	1.8
175.11221	2.9
177.12738	1.1
189.11183	4.1
193.12228	0.9
195.11754	0.8
195.13817	1.3
205.12320	1.9
219.13785	1.2
223.13316	18.0
227.12796	6.3
245.18948	1.4
249.14873	3.0
255.17419	1.2
267.15961	1.4
273.18524	13.7
284.53830	0.8
285.20905	0.8
289.18124	0.8
291.19562	100.0
309.20374	0.9
333.39972	0.8
347.22147	3.0
365.23257	50.6
535.32062	1.0
557.34656	2.2
575.35345	1.3
637.40906	2.6
655.42059	53.8
887.06128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04516	0.6
65.03944	4.8
67.05493	0.4
68.04997	0.3
69.03435	0.6
69.27213	2.5
70.06599	22.7
71.08636	3.4
72.08148	0.5
74.06083	0.7
81.02930	0.3
81.03405	0.5
81.07047	0.4
84.08144	0.5
85.10172	0.9
85.34045	0.3
86.09682	0.4
88.07640	24.5
91.05484	0.4
95.04967	0.4
102.09193	21.3
105.03389	0.8
106.05018	0.5
121.02863	2.2
131.04930	0.8
132.10155	0.4
133.02841	0.9
136.01675	0.3
139.03911	1.1
146.11774	0.5
147.04420	1.4
149.02364	86.5
149.03444	7.3
175.03952	2.5
177.05475	2.3
188.08606	0.3
191.07072	1.0
193.04984	44.5
194.05325	0.5
212.23709	0.9
219.06602	1.9
237.07596	10.0
256.26376	61.0
257.26782	0.7
269.04471	0.9
286.82260	0.3
297.04163	0.7
300.29099	1.1
313.07153	1.2
341.06580	3.3
343.08316	0.9
359.07520	1.7
385.09183	7.2
411.10999	0.6
429.11835	1.7
453.97278	0.3
533.11017	1.3
577.13434	8.5
621.16058	10.3
640.35168	0.6
707.22736	0.3
832.38855	1.4
850.40118	100.0
851.40790	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	848.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	3.3
61.02932	11.1
65.03934	2.2
65.97402	0.3
65.97764	0.3
67.05509	85.7
69.03422	2.7
69.07068	6.0
71.04992	3.2
71.08643	1.0
73.02913	3.6
79.05500	16.5
81.03434	1.8
81.07064	35.1
83.04996	0.9
83.08625	7.3
85.02911	13.2
85.06541	2.9
87.75560	0.4
91.03963	8.0
91.05486	13.7
93.07052	20.3
95.04996	1.9
95.08614	25.4
96.04499	0.5
97.02901	5.0
97.06537	1.0
97.10184	2.7
98.20761	1.2
99.04458	0.7
99.08096	1.2
101.01331	0.4
103.04003	0.6
105.07034	5.5
107.08601	14.1
109.02910	0.6
109.06494	0.7
109.10163	74.3
111.08083	3.8
113.09669	0.6
117.07014	2.2
119.08591	10.1
121.10147	9.9
123.11699	3.6
125.09639	1.4
127.03937	3.3
131.08574	4.5
133.10143	4.9
135.11705	7.9
137.09622	3.5
137.13228	0.9
139.11147	0.6
144.06598	0.6
145.04955	3.8
145.10133	3.8
147.11690	3.5
149.13261	4.8
151.11145	0.5
155.10661	6.0
157.10100	0.5
159.11693	3.3
161.13258	3.2
163.06044	5.3
163.11243	0.6
163.14821	2.5
165.12723	0.4
171.11716	0.6
173.11754	18.0
173.13268	3.5
175.14854	1.0
177.12785	0.4
177.16422	0.6
179.78946	0.4
180.08720	0.4
184.07399	0.4
187.14864	1.5
189.11230	1.3
201.16405	0.7
203.31049	0.4
210.23997	0.4
213.14851	0.6
227.12779	7.3
229.14366	100.0
230.14778	0.9
233.22696	0.4
243.21114	4.9
261.22162	17.9
263.23581	0.5
299.23804	0.7
313.27603	0.4
317.24728	2.6
333.24341	0.4
335.25821	67.7
336.26114	1.4
342.92957	0.4
379.30081	1.3
397.31033	1.9
415.32071	1.4
433.32922	1.2
471.34714	2.9
489.35785	50.0
490.35944	1.6
507.36902	8.2
597.72766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	3.9
61.02648	0.8
61.02932	10.3
65.03944	3.0
67.05510	100.0
67.72124	0.5
68.05841	0.5
69.03441	2.8
69.07075	8.7
71.05011	3.6
71.08643	0.7
71.52396	0.8
71.52800	0.6
73.02903	3.9
79.05499	23.2
81.03428	2.0
81.07063	46.3
83.04995	1.2
83.08628	8.7
85.02911	14.1
85.06551	3.4
91.03960	9.1
91.05488	15.3
93.07052	28.2
95.04983	2.5
95.08614	32.0
96.49736	0.6
97.02900	7.7
97.06537	1.3
97.10173	2.8
99.08092	1.1
103.04018	0.6
105.04553	0.6
105.07038	9.7
105.07703	0.8
107.08607	17.5
109.02886	0.8
109.06540	1.1
109.10165	82.4
111.08104	4.0
115.03948	0.5
117.07041	3.6
119.08593	13.0
121.06577	0.8
121.10148	13.6
123.04448	0.7
123.08098	1.0
123.11720	4.8
125.09623	1.8
127.03929	3.9
129.07098	0.5
131.08578	7.2
133.10143	5.7
135.11702	8.7
137.09599	3.1
137.13237	1.5
139.11186	0.7
145.04958	4.3
145.10136	5.3
147.11700	5.4
149.13274	5.8
151.11258	0.8
152.07062	0.8
155.10663	6.2
157.10115	0.7
159.11708	4.0
161.13261	3.8
163.06049	4.2
163.14847	3.0
171.11778	0.6
173.11792	18.8
173.13292	4.0
175.14809	1.2
177.16389	1.0
187.14879	2.2
189.11206	0.9
201.16441	0.7
227.12778	6.9
229.14368	97.1
230.14771	0.9
233.22763	0.6
243.17416	0.9
243.21126	6.1
255.58887	0.5
261.22162	22.1
263.23529	0.6
299.23788	0.9
313.27298	0.6
314.27869	0.6
317.24734	3.3
335.25821	78.2
369.53534	0.5
373.18729	0.9
379.29706	0.9
397.31055	2.5
415.32236	1.5
471.34903	3.0
489.35782	80.8
490.35995	1.4
507.36890	8.9
633.39764	1.0
648.12720	0.6
648.36804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	2.1
67.05505	1.9
67.49493	0.8
69.03423	1.6
69.07082	13.1
69.51144	2.3
69.51556	5.0
70.06609	1.1
71.21535	1.0
79.05504	3.7
81.03420	12.8
81.07044	1.8
83.05006	4.7
85.02945	1.1
85.06548	1.3
91.05495	6.8
93.07037	1.3
94.04216	1.7
95.04987	2.0
95.08613	1.4
97.02895	3.1
97.46268	0.9
100.19234	1.0
103.05479	4.2
105.07043	2.9
107.04945	5.8
108.05736	2.1
109.06513	2.8
109.80284	1.0
111.04457	2.2
113.06004	0.9
115.05453	5.1
117.07027	3.4
119.04933	1.7
119.08598	1.6
121.06506	3.3
122.03654	3.9
125.02392	7.5
125.05988	1.1
128.06233	5.3
129.07037	12.2
131.04941	9.9
131.08560	3.1
133.06480	1.4
135.04454	3.3
136.05197	3.6
137.05992	87.3
141.07008	2.8
143.04938	3.9
143.08582	2.9
144.05695	4.5
145.06487	15.6
145.10127	1.9
146.03593	1.2
146.07266	2.8
147.08034	1.7
149.05988	4.5
151.03920	3.1
151.07559	100.0
152.07915	2.5
153.05473	2.5
153.06914	1.0
155.03432	8.0
155.06068	1.0
155.08554	1.2
157.06505	14.0
158.07295	7.5
159.04463	2.3
159.08058	6.8
160.05209	7.0
160.08871	2.9
161.06035	6.6
163.03877	1.7
163.07539	10.7
165.05548	3.0
165.06931	2.2
165.09097	1.9
167.03419	1.7
167.08569	1.2
169.06480	2.7
171.08043	5.6
172.05191	4.8
172.08858	10.8
173.06053	6.4
173.09615	2.4
174.06790	19.5
175.04051	1.6
175.07574	43.5
176.08397	4.4
177.05486	1.1
177.09128	9.6
179.03392	1.6
181.06493	3.9
182.07280	1.1
183.08194	1.2
185.06015	2.3
186.06758	2.3
187.07568	59.1
187.11147	2.6
188.08330	17.3
189.09123	84.5
190.09691	2.0
191.07040	1.8
191.08777	1.8
191.10680	8.1
193.12372	1.0
195.08086	3.1
196.08847	6.0
197.09660	2.1
198.06737	1.5
199.07584	4.4
200.08371	3.6
201.09135	19.6
202.09901	9.1
203.06938	1.6
203.08656	2.8
203.10666	26.1
205.08612	5.6
205.12262	13.8
207.10132	1.9
208.08891	1.6
209.09651	2.8
210.10361	1.2
211.07555	3.6
211.11128	1.2
212.08340	3.1
213.09138	8.6
214.09866	1.5
215.10603	4.6
216.07790	2.6
217.08620	14.4
217.12233	3.0
218.07420	1.5
219.08144	2.7
219.10167	20.5
219.13776	2.7
221.11687	2.4
223.07637	1.5
223.11211	1.7
224.08295	1.3
225.09077	2.6
226.09930	3.9
227.07182	1.7
227.10678	8.8
229.08676	2.3
229.12253	2.4
231.08095	2.9
231.10165	26.7
232.08705	1.2
233.09650	2.2
235.07561	1.6
235.09628	2.0
237.09030	2.3
238.09856	1.2
239.07169	1.7
239.10725	4.4
240.07880	2.0
240.11429	1.0
241.12282	3.1
243.10159	2.5
243.13834	4.0
245.15300	1.1
247.07544	2.4
248.08324	3.9
249.09088	1.9
249.11295	16.6
251.10684	2.6
252.11400	1.0
253.12383	1.0
254.09438	1.3
254.12910	1.4
255.06516	2.6
255.10316	1.7
255.13867	8.5
256.07309	1.2
257.11899	1.1
257.15347	4.8
259.07529	1.4
260.08258	1.4
262.09927	2.0
263.07077	1.1
263.10709	4.8
265.08585	2.6
265.12219	1.7
267.13818	1.4
269.11658	1.2
269.15378	2.7
270.08914	4.5
270.12460	1.2
271.09708	6.7
271.16745	1.9
275.10727	2.2
275.16730	1.2
276.07843	2.5
277.08804	5.1
278.09464	1.3
279.10196	4.2
279.13156	1.0
281.11774	2.2
283.09705	6.4
285.11319	1.6
285.14874	2.6
290.09442	1.2
291.10165	11.2
293.08163	2.1
293.11557	1.4
295.09671	2.1
296.10428	1.3
297.11267	2.0
299.16397	2.4
303.10172	2.2
307.09659	3.0
308.10388	2.2
309.07944	1.5
309.11169	9.0
311.12744	10.1
317.11707	2.2
317.17508	2.0
321.11273	2.1
323.12817	17.1
325.14392	2.0
327.12189	1.2
329.13721	1.3
335.12787	4.8
337.10751	2.2
338.14853	1.2
339.12338	2.2
340.13248	1.1
341.13892	17.9
349.10199	1.2
353.13791	6.4
355.11853	3.3
357.13318	7.3
359.16376	2.2
379.19125	4.8
385.12762	6.1
391.19138	11.7
397.19974	2.0
409.20200	19.6
427.20953	3.2
811.44647	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04970	0.4
61.02932	4.9
63.51294	0.4
67.05512	5.6
69.03436	3.8
69.07076	1.7
71.01348	0.5
71.04986	0.6
73.02921	3.8
74.97796	0.4
77.36887	0.4
78.00013	0.4
79.05489	3.0
81.03436	1.8
81.07056	4.4
85.02915	5.1
86.09729	0.8
87.04494	0.7
87.08140	0.4
91.03971	3.2
91.05489	2.5
91.73647	0.4
93.07047	3.4
95.04949	0.8
95.08607	3.9
97.02893	4.8
97.06541	1.3
97.10160	0.6
98.20795	1.1
99.04478	0.7
101.02400	1.6
101.95248	0.4
105.07047	0.8
107.08617	1.7
109.02922	0.8
109.10186	1.6
116.07120	0.4
117.07062	0.5
119.08600	0.5
121.10144	1.9
125.00024	0.7
127.03979	1.3
131.08614	1.1
133.10176	1.2
135.11723	0.8
137.05801	0.7
140.39030	0.4
144.45772	0.4
145.10196	0.8
149.13242	0.4
163.16962	0.5
172.08714	0.4
184.07352	3.6
185.04259	0.6
221.91136	0.4
229.41521	0.6
243.08438	2.5
261.22229	0.4
335.25763	0.9
348.78882	0.4
349.19852	10.0
361.75897	0.5
383.95035	0.5
453.21176	1.0
519.29333	6.0
567.27686	2.8
580.67548	0.4
845.50238	100.0
846.50592	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12973	22.7
62.51258	24.5
67.05493	75.0
69.07065	42.6
71.52508	23.1
71.52923	33.7
75.80985	24.9
79.05499	54.5
81.07065	80.6
83.08627	30.1
91.05477	31.7
93.07015	36.7
95.08599	30.9
95.14637	26.5
97.10176	55.2
105.07061	42.2
117.07078	32.6
119.08641	26.1
125.09693	44.0
138.43254	23.6
160.08888	29.0
184.07332	72.3
189.11142	43.4
201.39015	33.0
227.12814	100.0
245.13831	63.5
258.71362	28.0
268.02209	31.1
293.07736	27.2
313.27332	65.8
335.25806	33.9
483.36737	70.1
646.66693	29.7
741.05066	26.7
833.67670	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	842.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46445	0.3
58.99582	0.8
65.03944	0.6
66.78104	0.3
69.03430	1.1
69.34750	2.7
70.02962	5.0
70.06570	0.4
74.00655	0.4
74.02448	0.4
76.02239	1.8
76.04022	1.6
77.03941	0.4
79.05493	0.4
80.05036	0.3
81.03426	12.5
82.06580	0.7
83.04998	1.1
83.06110	2.2
84.04044	0.5
84.04510	7.0
85.02927	2.0
85.04036	0.5
86.00240	0.4
86.06068	1.4
91.05483	1.4
94.06546	0.3
95.04984	0.9
97.02900	1.1
98.06032	0.4
99.05582	2.2
101.10066	0.4
105.03388	0.5
107.04955	3.3
107.06043	0.7
108.05746	1.1
109.02956	0.4
109.07653	1.6
112.03979	6.4
112.07590	0.3
115.05480	0.4
116.01685	0.6
116.03435	0.7
117.07108	0.4
119.04934	0.4
119.19485	0.3
121.06504	0.8
127.03951	0.5
127.05055	0.5
128.06247	0.7
129.00058	1.1
129.06543	3.5
130.05013	28.7
131.04883	0.4
132.05750	0.3
135.04424	1.1
135.05409	0.4
136.05199	2.8
137.00572	0.9
137.06006	0.5
138.06720	0.4
141.06981	0.6
143.08572	1.1
144.01094	0.4
145.06088	14.3
146.07286	1.0
147.07658	0.4
151.07555	100.0
152.07895	0.5
153.06589	2.3
155.01651	0.6
155.08154	1.5
156.99559	7.5
157.06514	1.9
158.07283	2.4
159.04424	1.2
159.08060	1.4
160.05177	0.7
160.08856	1.4
161.05978	1.1
162.02249	1.0
162.06808	0.6
163.07414	0.5
165.00075	7.8
165.05493	0.9
169.03128	0.4
169.06357	0.4
171.01114	0.4
171.08105	1.7
172.08838	5.8
173.06007	2.5
174.06789	7.8
175.07571	1.2
176.08408	0.8
177.03328	1.0
177.09131	3.0
179.04904	1.2
180.99568	0.8
181.06131	0.7
183.01135	8.4
183.08098	0.4
185.05988	0.5
186.06776	0.4
187.07565	1.4
188.08347	7.6
189.09123	26.9
190.09671	0.5
191.10631	1.9
195.01160	1.6
195.07813	0.3
197.02623	0.4
198.09201	0.6
199.07179	3.1
199.09944	0.7
200.03793	2.1
200.08296	2.1
201.09122	15.1
202.09976	2.0
203.01637	0.5
203.10684	13.7
208.06091	0.5
211.00626	2.6
213.09114	2.3
215.10738	1.2
216.07875	0.9
219.10172	11.1
221.11911	0.5
223.07666	0.4
225.11485	0.3
228.03287	0.4
228.10338	0.3
230.11877	0.6
231.10179	10.9
238.07086	0.6
248.12778	1.2
249.11234	15.2
257.07596	0.7
263.07135	0.5
266.04907	1.5
266.13910	1.4
274.10461	1.6
286.03906	4.0
293.08032	0.6
294.04163	0.9
295.04190	0.8
303.06467	19.8
304.42917	0.5
307.09619	0.8
309.06015	0.4
310.03076	0.6
311.03741	0.8
311.07263	0.9
324.04730	0.5
325.05246	1.3
326.05984	1.6
326.11536	0.4
327.03372	0.5
327.06870	0.6
337.05551	0.6
337.10571	0.4
338.11569	0.4
339.06848	3.3
341.04651	0.5
341.08420	0.4
342.05505	1.0
350.11893	0.4
353.08545	0.4
355.06241	0.3
357.07715	8.0
360.14468	0.4
369.07858	2.0
371.09366	1.4
383.09387	0.4
385.12885	0.4
387.09094	0.7
400.12299	0.4
415.08102	1.6
432.10770	32.3
503.14764	0.8
515.14771	0.5
533.16101	3.3
551.16986	11.5
587.16779	0.8
594.15796	0.6
605.18024	3.5
618.21185	2.0
632.18842	0.6
644.18610	0.5
662.20160	19.7
663.20410	0.5
680.21240	19.1
681.21344	0.6
824.26385	0.5
842.26508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	1.6
69.03447	4.9
70.06609	4.5
70.82497	1.9
71.05012	3.7
72.08152	0.6
73.02905	0.7
79.05503	5.4
81.03423	6.7
81.07049	2.0
83.04991	0.7
85.02916	3.5
91.05486	9.7
93.07085	3.1
94.04219	3.4
95.04964	1.9
95.08619	1.9
95.99322	0.6
97.02893	3.8
97.06519	1.2
99.04461	7.2
103.05482	3.3
105.04391	0.7
105.07040	43.7
107.04964	2.4
107.08609	4.2
109.02907	3.7
109.06531	2.3
109.10188	1.1
111.04418	0.8
115.05444	4.2
116.07098	6.9
117.07044	2.3
118.04173	0.8
119.04973	2.1
119.08601	5.7
121.06506	2.6
121.10152	1.3
121.80399	0.6
122.03655	6.3
123.04451	0.9
123.08098	1.6
127.03949	5.8
128.06247	3.8
129.07039	3.7
130.07707	0.6
131.04941	4.3
131.08580	4.3
132.05716	1.2
133.04977	0.7
133.06517	6.5
133.10141	22.3
135.04430	1.1
135.08099	0.7
136.06158	0.7
137.05994	100.0
141.07002	1.1
142.07765	1.1
143.08578	9.7
144.05743	1.6
145.04962	1.0
145.06502	2.0
145.10193	3.4
146.07283	2.0
147.04462	1.2
147.08061	3.0
149.05972	2.2
151.03914	1.8
151.07541	6.2
153.07011	0.6
155.04904	1.2
155.06044	0.8
155.08524	1.0
157.06541	1.7
157.10150	1.6
159.08134	3.3
159.11713	1.0
160.05208	1.2
161.06006	9.0
161.09634	25.3
163.07552	4.1
163.11214	7.1
165.07047	2.0
166.07726	0.7
167.07138	1.0
167.08589	1.2
169.06396	0.7
171.08051	2.9
171.11739	2.3
173.09634	1.3
174.06761	1.1
175.07582	12.9
175.11201	1.1
177.05531	1.1
177.09151	1.2
179.07076	2.0
179.08548	1.1
179.10710	5.3
181.06439	1.0
182.07234	0.7
185.06189	0.8
185.09639	2.5
187.07565	6.9
187.11220	0.8
189.07344	1.4
189.09142	12.1
190.07800	2.1
191.08591	5.6
193.06544	1.5
194.07275	2.0
195.08092	2.3
197.05969	1.0
199.07582	3.2
199.11192	1.8
201.09196	2.8
202.07799	2.1
203.08617	3.2
203.10564	1.2
205.06534	2.0
205.08513	1.2
207.08258	1.0
207.10185	2.8
209.09619	0.9
211.07581	1.4
213.09108	2.0
215.08797	0.9
215.10747	0.8
217.08560	1.1
217.12213	1.0
218.07297	1.9
219.08107	10.1
220.08830	2.3
221.05995	2.0
221.09645	0.7
221.11720	0.7
222.06773	1.5
223.11391	0.9
224.08435	0.9
225.09143	2.5
227.07016	0.9
227.10690	1.9
231.08087	6.5
231.10217	1.7
232.08917	1.0
235.07625	1.3
236.08458	2.4
237.09109	1.9
239.07056	1.6
239.10803	1.8
241.08554	1.7
241.12244	1.3
247.07581	3.5
247.11183	0.7
248.08351	2.5
249.09048	1.1
249.11299	0.9
251.10693	13.6
252.07919	0.9
253.08643	2.0
257.07916	0.9
258.06598	0.9
259.07544	3.5
260.08331	2.0
261.09052	1.5
263.06976	0.9
263.10846	3.1
264.07800	1.3
265.08643	5.8
265.12143	1.2
267.10251	2.2
275.10715	1.1
276.07867	1.3
277.08768	1.3
277.12347	1.1
279.10217	10.0
279.13333	0.8
281.07986	0.9
285.11279	7.0
287.13055	1.2
289.08664	1.9
291.10175	8.1
291.13507	1.0
293.08392	1.3
295.10068	0.7
296.10593	0.9
297.11273	6.8
303.10193	1.7
305.14130	1.2
307.13171	0.7
308.10651	0.8
309.11295	1.5
311.12830	17.4
315.12894	1.3
316.92654	0.7
321.11325	2.4
323.12338	9.0
329.15082	0.8
333.13489	1.0
335.12686	1.5
335.16458	0.9
341.14194	0.8
343.13455	1.0
347.12778	1.8
347.16550	2.5
351.14459	8.8
356.10324	0.8
363.12393	1.1
365.17493	1.0
369.15201	1.2
373.14380	1.4
375.11893	1.0
375.15948	2.0
387.15948	1.8
393.13617	1.3
399.16266	0.9
401.13522	1.8
405.17166	0.7
415.19110	0.7
419.14844	0.8
421.16763	0.9
429.17221	0.7
437.17084	0.8
439.19052	1.1
443.22507	0.8
453.20712	1.0
467.18228	0.9
471.21671	6.4
483.21860	3.2
489.22815	1.9
499.20950	3.9
501.22537	1.9
511.21536	3.2
517.22076	2.1
529.22015	2.8
537.21564	0.9
541.22107	0.7
553.21490	1.1
597.24847	2.0
607.23120	1.0
615.25464	1.9
625.24243	1.2
627.25433	1.1
633.27032	3.2
643.25134	2.2
645.26996	1.8
649.26270	1.3
651.28021	1.1
655.24841	1.2
661.26318	3.4
663.27783	1.6
673.25916	2.0
679.27167	0.9
691.27191	2.3
841.31500	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60501	2.0
61.02930	4.9
65.03928	6.0
67.05512	100.0
69.03426	12.1
69.06725	3.7
69.07079	41.8
69.48402	7.8
69.48820	12.1
70.06596	3.9
71.04982	9.3
79.05504	82.4
79.05967	5.1
81.03426	13.0
81.06596	5.0
81.07068	96.7
83.04976	11.2
83.08625	28.1
85.02901	8.2
85.06545	5.6
91.05491	91.3
93.06480	5.1
93.07055	89.7
95.04964	15.9
95.08062	4.4
95.08620	61.7
97.02884	4.3
97.06536	14.4
97.10162	9.7
99.04458	3.0
99.08092	3.8
105.04452	2.4
105.07044	89.4
107.04960	13.6
107.08607	57.9
109.06493	7.1
109.10172	23.7
111.08091	8.4
113.09621	3.3
115.05456	5.0
115.09621	2.8
116.07099	8.7
117.07034	32.2
119.08592	69.8
121.06495	5.6
121.10163	36.6
123.08079	4.2
123.11687	6.1
125.09614	6.2
127.03905	5.7
128.06230	6.7
129.07019	20.3
130.07840	2.7
131.08582	45.9
133.10139	53.1
135.08035	6.6
135.11690	27.9
137.09583	3.6
141.06996	7.2
142.07730	4.4
143.08577	23.2
145.06474	3.8
145.10139	42.2
147.08060	5.3
147.11711	34.3
149.09639	10.2
149.13280	18.6
151.11151	3.2
155.08620	12.8
157.10132	19.5
159.11716	35.6
161.13301	20.0
163.11205	10.8
167.08543	3.2
169.10147	15.2
171.11693	19.2
173.04449	3.1
173.11946	2.8
173.13260	16.9
175.11223	5.1
175.14836	10.1
177.12708	5.5
181.10147	7.6
183.11678	15.4
184.07375	6.3
185.13249	18.7
187.14836	8.4
193.10135	3.0
195.11760	4.9
197.13248	11.9
199.14827	10.0
201.12637	2.5
201.16513	2.9
207.11795	3.4
209.13309	6.4
211.14809	8.9
213.16435	5.6
225.16454	3.9
227.12814	4.0
233.13341	3.1
235.14847	3.8
237.16431	3.7
239.17950	3.6
241.19612	15.9
251.18025	2.6
254.31190	2.6
255.15979	11.5
257.18973	6.4
259.20642	44.8
261.22287	4.6
267.16129	4.1
269.17416	12.8
271.20413	3.7
275.20151	17.0
277.21707	3.2
315.23203	5.6
324.44641	2.8
329.24985	3.0
333.24283	38.4
335.26019	4.6
339.23187	3.7
349.23822	11.1
367.24716	3.4
435.32529	7.9
453.33447	4.2
497.36865	3.5
513.35852	29.9
515.38171	7.0
525.35669	3.6
527.37390	47.2
528.37860	2.9
531.36090	4.1
533.39807	3.3
537.26849	3.4
545.38147	5.6
551.40808	5.1
590.58893	2.7
607.43768	36.2
625.44672	31.4
689.43323	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	838.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.4
65.03939	4.0
67.05510	86.3
69.03425	6.4
69.07073	26.3
69.66162	3.8
69.66577	10.3
71.04996	6.8
74.45824	2.1
79.01340	2.2
79.05066	4.3
79.05500	62.1
81.03428	10.8
81.07065	86.5
83.04985	13.3
83.08634	14.8
85.06557	9.5
87.04468	4.8
89.03934	2.6
91.05489	99.1
93.07056	82.4
95.04980	18.7
95.08614	49.1
97.02917	2.6
97.06506	10.8
97.10165	4.7
103.05457	3.3
104.42537	2.2
105.04534	2.5
105.07044	91.9
107.04955	10.3
107.08604	59.0
109.06521	9.8
109.10165	50.0
111.08082	3.8
113.06069	3.3
115.05487	4.5
116.07092	3.8
117.07025	25.7
119.08598	49.5
121.06491	6.6
121.10161	25.1
123.08004	4.4
123.11731	12.6
125.09652	4.6
128.06258	3.2
129.07005	15.4
130.07748	3.3
131.08580	29.3
133.06554	5.4
133.10147	100.0
135.00421	2.2
135.08093	8.9
135.11700	22.0
137.09654	5.0
142.07790	3.4
143.08591	16.3
145.10153	22.1
147.08064	5.0
147.11702	27.3
149.09639	8.0
149.13300	7.9
151.11209	34.5
155.08601	2.8
157.10138	14.5
159.08113	3.7
159.11710	21.1
161.09648	7.2
161.13275	21.2
163.11142	4.1
163.14941	2.6
165.12779	2.3
169.10193	4.6
169.12247	6.9
171.11684	15.7
173.13275	10.1
175.11259	3.7
175.14841	7.9
179.14299	3.1
183.11737	5.8
185.13274	9.3
186.64696	2.5
189.12895	2.8
195.11685	3.9
197.13309	3.1
199.14850	8.0
201.51898	3.0
207.11720	3.2
209.13432	2.4
211.14912	3.2
213.16454	3.7
223.43155	2.4
231.21031	4.5
241.19560	22.2
245.19186	2.6
253.11707	4.2
253.14359	80.8
257.19040	3.2
259.20593	51.4
263.20172	4.4
271.15182	2.8
273.18564	12.8
275.20029	3.6
277.21469	3.5
289.18179	3.3
291.16714	3.4
291.19495	17.5
310.31564	2.5
313.27554	2.6
315.23251	10.0
333.24298	44.9
335.25952	10.7
347.22217	4.9
363.21982	2.9
365.23251	32.5
404.86465	2.4
409.30927	4.0
419.29492	3.3
437.30405	4.7
455.31750	5.0
501.35620	4.1
511.34317	16.0
513.36902	4.0
529.35236	26.3
531.38153	5.4
605.41760	10.2
623.33313	3.7
623.43115	51.4
641.44092	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	840.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	5.5
61.51381	2.0
65.03928	5.2
67.05511	98.6
69.03429	21.6
69.07072	66.0
69.07656	2.2
69.15888	19.5
71.04998	24.6
72.35912	1.8
73.02903	6.5
73.06596	2.0
79.05499	94.8
81.03428	27.2
81.07063	95.2
83.05000	13.4
83.08627	18.5
85.02908	10.4
85.06547	7.5
91.03925	2.4
91.05490	63.2
91.70378	2.3
93.07051	83.6
94.97865	2.0
95.04552	1.7
95.04993	18.3
95.08614	72.7
97.02894	13.1
97.06540	94.5
97.10169	5.7
99.04436	3.6
99.08108	6.7
104.70504	1.9
105.04506	1.9
105.06397	3.7
105.07041	47.0
107.04971	12.1
107.08606	47.0
108.24347	2.2
109.02882	5.5
109.06525	21.7
109.10155	24.5
111.08066	9.4
113.05983	3.1
115.05473	2.7
115.07574	34.0
117.07027	23.4
119.08589	27.2
121.06486	9.5
121.10161	29.7
123.08076	7.0
123.11723	5.2
125.09664	3.0
127.03921	7.4
127.07487	2.7
128.06252	2.8
129.06999	11.7
131.08585	29.8
133.06485	6.9
133.10141	24.2
135.08098	13.3
135.11685	21.9
137.09581	4.9
137.13313	2.4
138.37445	2.2
139.11269	2.1
141.06992	2.8
142.07773	3.0
143.08618	9.2
145.10124	18.4
147.08049	6.9
147.11708	12.2
149.09631	7.6
149.13264	14.3
151.11180	3.7
155.08514	4.1
157.06442	2.7
157.10124	7.9
159.08086	3.5
159.11682	15.3
161.09592	9.4
161.13269	6.3
163.07515	2.2
163.11098	2.1
169.10083	4.6
171.06647	1.9
171.11732	7.9
173.04492	7.9
173.09607	2.7
173.13255	8.1
175.11232	5.4
175.14948	2.8
177.12744	4.8
179.10825	2.5
179.32707	1.7
185.13277	5.8
187.14827	4.9
195.13794	5.4
197.13434	2.2
199.11258	2.6
199.14851	4.5
201.07651	3.0
201.12794	2.5
204.05244	1.9
217.15825	9.8
227.17949	4.4
233.15340	3.8
241.10655	2.2
243.20953	2.0
245.19081	4.0
253.14270	5.3
255.17665	5.0
259.20554	3.0
261.22241	10.7
267.15988	2.6
269.17419	15.7
273.18579	31.3
275.19882	2.3
291.19672	20.7
297.16992	3.1
303.16028	1.8
307.19180	4.4
309.44614	2.0
317.24741	2.4
333.24176	2.7
335.25821	100.0
347.22235	14.6
365.23410	13.3
376.60178	1.9
383.24625	3.7
413.21567	2.4
446.92435	2.4
515.37079	6.5
529.38910	32.0
531.36591	2.7
557.37897	2.4
567.40350	4.0
607.43573	9.2
625.44763	26.1
643.45551	10.1
841.46405	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	838.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69684	3.6
67.05514	52.3
69.03439	9.6
69.07077	42.0
70.06590	12.9
71.10696	6.2
79.05502	50.8
81.03404	9.8
81.07058	57.9
83.04983	6.0
83.08629	16.5
87.04465	9.7
91.05489	55.5
93.07044	53.6
95.04961	13.3
95.08615	32.4
96.98096	3.9
97.02887	14.2
97.06522	9.2
97.10167	19.0
105.07039	57.3
107.04926	5.7
107.08604	33.9
109.06528	5.7
109.10175	24.6
111.08099	4.8
115.05428	4.2
116.07091	9.7
117.07015	21.7
119.08610	42.8
121.06498	6.4
121.10167	17.9
123.08079	7.7
123.11722	4.7
125.09640	13.7
128.06215	4.7
129.07001	14.2
131.08565	23.3
133.06511	5.4
133.10146	31.8
135.08098	6.7
135.11697	12.1
136.06235	18.3
143.08585	12.2
145.10143	21.4
147.08057	7.8
147.11714	24.2
149.13293	8.4
155.08580	7.8
157.10147	11.4
159.11670	18.7
161.09587	4.2
161.13289	17.4
171.11731	9.3
173.13287	11.6
175.14818	9.2
183.11606	6.1
185.13298	12.2
189.11230	8.5
193.12172	3.6
199.14754	7.1
205.12311	3.8
209.13271	4.4
223.13187	16.3
227.12834	11.8
241.19493	9.4
259.20624	42.0
273.18491	13.6
275.20197	6.9
291.19556	100.0
315.23300	4.7
333.24207	38.4
335.25861	4.3
351.25909	3.7
365.23239	33.4
379.29916	5.3
525.35834	9.5
543.36609	11.5
587.40308	3.7
605.41809	5.7
623.43024	58.0
641.43915	10.6
765.26721	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	837.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59143	0.8
60.17373	0.8
65.94896	0.8
67.66125	0.7
69.07050	0.7
69.41956	0.7
71.53840	0.9
81.93907	0.8
99.96568	0.8
112.50605	0.7
118.08124	0.7
148.19714	0.8
173.02173	2.1
174.02959	1.6
195.36505	0.8
299.73059	0.7
302.06000	0.8
394.09647	1.0
437.58200	0.9
645.19617	3.1
672.71582	0.8
739.23224	1.9
753.21210	1.2
767.23071	3.1
768.23871	24.8
769.24536	8.2
811.81042	1.0
837.30939	100.0
838.31360	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	837.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.4
67.05525	0.4
69.03437	2.3
69.53241	1.8
73.02920	0.5
74.90128	0.3
77.94717	0.3
79.05490	0.4
80.05040	0.3
81.03423	1.3
81.04969	0.3
85.02917	2.7
87.09392	0.3
93.07033	0.9
94.06564	2.3
95.07359	0.9
96.08142	1.3
97.02895	1.4
106.03436	0.4
107.07335	0.6
108.04500	0.5
108.08122	4.6
109.02886	0.5
110.09694	3.7
117.13823	0.3
120.04489	1.2
120.08115	4.4
122.06042	4.2
122.09663	1.9
124.07635	0.8
127.03922	0.8
136.07584	6.4
136.08546	0.4
138.09155	6.1
146.06036	1.1
148.07573	4.2
150.05486	0.5
150.09157	3.8
151.03998	0.4
152.07104	1.1
157.43910	0.3
160.07700	0.3
162.05647	0.5
164.07129	0.9
166.05000	0.4
166.08659	12.9
168.10359	0.4
172.03963	1.9
174.05527	0.7
176.10687	0.4
180.06606	0.4
180.10249	0.8
190.05052	1.4
194.08211	1.3
196.09923	0.5
197.10818	0.6
198.09346	0.3
204.06619	2.1
208.09712	0.4
209.10788	0.4
211.08830	0.4
212.09419	0.6
220.09976	0.4
221.10941	0.4
223.12294	0.6
224.09479	0.5
224.12912	0.3
225.10248	2.7
226.11064	0.8
227.11818	2.1
233.10771	0.4
235.08572	0.6
235.12361	0.7
236.09398	0.6
237.10239	5.1
238.10974	0.8
239.08217	0.7
239.11757	1.9
241.09874	0.8
245.13037	0.5
246.07867	0.3
248.09442	1.5
249.10249	4.2
250.11096	1.5
251.08159	1.5
251.11809	5.0
252.08932	0.7
252.12611	1.1
253.09767	2.7
253.13374	0.9
254.10776	0.5
255.11267	2.3
261.10287	3.1
262.11093	0.7
263.08783	0.7
263.11771	4.1
264.08932	0.6
265.09766	5.9
265.12985	0.6
265.13455	0.8
266.10516	0.8
267.11304	4.3
268.11871	0.6
269.10205	0.4
269.12927	1.5
271.10901	1.1
273.12418	0.9
276.08817	0.5
277.09851	2.1
278.06644	1.0
278.10553	2.6
279.07831	1.4
279.11292	10.0
280.08826	0.6
280.12030	2.2
281.09839	2.2
281.12933	2.2
282.10074	0.9
283.10751	3.8
284.11649	0.6
285.12436	1.2
287.13998	1.5
289.09692	6.4
290.10559	0.5
291.08276	0.6
291.11337	3.3
292.12143	0.6
293.09271	3.5
293.12939	3.7
294.09903	1.9
295.10770	2.7
296.11627	2.1
297.12234	2.4
299.10272	0.8
300.10901	0.4
306.09830	0.6
307.10834	3.3
308.11652	1.3
309.12292	2.8
311.10358	4.4
311.14044	2.0
312.11127	2.3
313.11716	2.1
314.12772	1.1
315.13638	0.8
317.09479	1.0
319.10919	0.7
321.08804	0.5
321.12448	1.0
323.10309	1.8
323.14047	1.8
324.10989	1.8
325.11868	4.7
326.12680	2.7
327.13385	4.4
327.17084	0.4
328.14343	0.6
330.16229	0.5
335.10297	12.5
336.10855	0.6
337.11893	1.9
339.09805	1.1
339.13412	29.0
340.10620	2.1
340.14182	0.6
341.11499	1.5
341.15210	0.6
342.12445	0.5
349.11957	0.5
352.10556	1.1
353.11325	6.3
353.15186	0.6
354.12177	3.2
354.16022	0.5
355.12909	11.9
356.13770	0.8
357.14612	1.4
367.12921	26.4
368.13504	0.5
370.15781	0.9
372.17148	0.5
386.14767	0.6
387.15933	0.5
388.16525	0.4
390.18127	0.5
398.14825	1.0
399.15787	2.0
400.16467	0.8
402.17993	0.5
404.15973	0.9
416.16058	1.1
428.15729	0.4
430.17538	0.5
432.19431	1.4
440.15622	0.6
442.17606	1.0
444.19519	0.6
446.17096	0.4
452.21634	0.4
458.17044	1.7
460.18732	3.6
470.17215	0.7
472.18829	0.4
474.20459	0.5
478.20078	0.8
479.20523	0.6
487.17294	0.8
488.18213	8.8
490.19705	0.8
492.21237	1.9
502.20013	0.6
506.19354	5.4
520.20880	11.0
534.19208	0.5
552.23602	4.0
611.25098	5.4
622.24396	0.8
642.27271	0.4
643.27625	0.9
650.23523	8.0
651.23785	0.5
654.26941	0.8
682.26105	100.0
683.26416	3.7
699.62390	0.4
714.28760	13.9
773.29639	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.5
69.03419	1.1
69.07081	3.0
70.68993	1.9
77.03941	0.7
79.05493	1.3
81.03419	3.2
81.07064	1.4
83.04976	3.2
86.09708	1.4
91.05478	3.0
93.03431	1.1
94.04187	1.3
95.04943	0.8
97.02902	0.7
100.79211	0.6
102.16571	0.6
103.05480	2.2
105.07047	1.6
107.04944	2.2
109.02869	2.4
109.06523	1.4
111.04446	2.3
113.02385	0.6
113.06005	2.1
115.05435	4.4
116.06250	0.9
117.07046	3.6
119.04920	1.3
121.02884	1.4
121.06510	1.5
122.03625	3.1
123.04466	3.9
125.02369	0.8
128.06195	3.8
129.07008	7.3
131.04953	5.1
131.08592	1.0
133.02841	0.8
133.06456	1.5
135.04425	2.6
136.05234	1.1
137.02370	3.3
137.05988	62.6
139.05449	0.8
141.06966	1.6
143.04936	3.1
143.08566	1.3
144.05710	2.6
145.06493	13.9
146.03650	1.1
146.07257	3.4
147.04439	2.0
147.08081	1.1
149.02370	1.0
149.05989	1.5
151.03911	5.1
151.07547	18.4
153.05490	1.7
155.03409	0.8
155.04912	1.1
156.05684	0.9
157.06491	9.7
158.07286	6.1
159.04440	2.6
159.08046	4.6
160.05238	4.3
160.08856	1.9
161.06009	6.4
161.09691	0.7
162.06790	2.8
163.03928	2.7
163.07565	2.7
165.01831	0.9
165.05489	2.4
165.06908	1.0
167.08536	0.7
168.05708	0.9
169.06586	1.4
171.04359	1.1
171.08067	2.2
172.05156	1.2
172.08839	10.5
173.05991	9.1
173.09625	0.9
174.06776	7.8
175.03935	1.2
175.07553	21.0
176.08366	3.6
177.05638	0.7
177.09120	9.5
179.03429	1.1
179.07053	2.7
181.06488	1.8
182.07285	1.5
183.08087	1.3
184.05222	0.9
185.05971	1.6
186.06728	1.9
187.07562	12.3
188.06728	1.0
188.08348	13.2
189.05492	2.2
189.09120	100.0
190.09618	1.0
191.03452	1.3
191.07011	1.0
191.08791	0.7
191.10674	3.8
193.04973	2.0
193.06567	1.0
195.08072	2.4
196.08849	2.9
197.05978	1.5
197.09502	0.7
198.06779	1.2
199.07538	2.8
200.08356	3.2
201.05440	2.2
201.09116	29.0
202.09856	4.6
203.06972	1.0
203.10675	33.2
205.06738	1.4
205.08577	7.5
205.12114	1.0
206.07220	1.1
207.08105	2.1
208.08855	1.4
209.09666	1.2
211.07503	3.5
212.08424	1.5
213.05696	1.2
213.09129	9.0
214.06261	0.8
214.09892	1.2
215.07051	1.5
215.10620	6.0
216.07819	1.7
217.08560	5.5
218.07185	1.1
219.08063	3.4
219.10201	4.4
219.13808	1.9
220.08893	0.8
221.05928	1.2
221.09679	1.5
221.11696	1.3
222.10403	0.8
223.07616	1.7
224.08377	2.2
225.05486	1.7
225.09151	3.5
226.06403	0.7
226.09871	1.9
227.07054	1.9
227.10614	3.8
229.04915	1.4
229.08615	2.6
229.12256	1.6
231.08130	1.4
231.10170	27.2
232.08667	1.2
233.05991	1.2
233.09673	0.9
233.11682	1.0
234.06699	1.0
234.10530	0.8
235.07539	2.1
235.09677	2.2
235.71880	0.7
236.08502	1.1
237.09171	1.8
238.09834	1.7
239.07019	2.7
239.10629	4.2
240.07863	1.2
241.08624	14.8
241.11314	0.9
241.12184	1.3
243.10222	2.2
243.13791	0.9
247.07611	3.0
247.09842	1.0
248.08362	2.0
249.09093	2.3
249.11279	21.7
250.09875	1.4
251.07172	1.0
251.10670	3.3
253.08748	3.3
253.12196	1.4
254.09366	2.1
255.06512	4.1
255.10184	4.2
256.07376	0.8
257.11810	1.4
257.15326	1.7
260.08279	1.8
261.09158	2.1
262.06354	0.7
262.09943	2.0
263.07080	2.7
263.10675	4.3
264.07861	1.3
265.08701	3.1
265.12350	1.7
266.09180	0.8
267.06509	2.1
267.10272	3.3
269.08081	2.9
269.11774	1.1
271.09808	1.1
271.17026	1.8
275.07004	2.1
275.10422	0.8
277.08469	4.2
278.09460	1.3
279.10046	4.2
280.11014	1.2
281.08081	1.8
281.11734	3.4
281.14627	0.7
283.06204	0.8
283.09686	2.4
285.07974	0.8
287.09280	1.1
289.08569	2.8
290.09274	2.3
291.10172	6.5
292.10764	1.1
293.08075	2.8
293.11697	2.6
294.08926	0.8
295.09698	5.0
296.10489	1.0
297.08017	1.0
297.11243	2.4
299.16321	1.3
303.10138	2.7
304.10867	0.8
305.08029	2.0
305.11615	1.2
307.09680	8.6
308.10617	1.6
309.11188	5.3
310.12125	0.8
313.10684	1.8
319.09717	4.6
320.10437	5.6
321.07706	1.3
321.11240	7.0
323.09253	2.0
325.10635	3.1
327.12271	1.4
333.11169	2.7
335.12656	1.0
337.10843	4.8
338.11459	2.5
339.12296	3.8
341.13394	0.7
343.11865	1.0
349.10623	1.0
350.11560	1.5
351.08517	0.9
351.12350	2.9
355.11694	5.6
367.11838	2.4
368.12582	1.3
369.09351	1.1
369.13620	3.1
381.09595	1.0
386.13510	0.8
417.13217	0.7
429.13474	1.5
437.11655	0.8
445.12982	0.9
447.14709	1.3
459.14600	1.4
461.11801	0.7
463.13971	1.6
467.14749	1.2
477.15585	0.9
479.14734	1.4
481.15625	0.7
485.15323	0.8
487.13928	1.5
497.15872	1.8
505.14908	3.3
509.15808	2.0
515.16742	0.8
517.15192	0.8
523.15704	0.8
527.17041	3.5
535.15741	2.1
539.17072	1.2
543.16034	0.8
545.18060	2.0
557.18292	2.4
561.17523	0.8
563.16473	0.7
573.17749	0.8
575.19269	1.7
587.19629	1.3
591.19183	1.3
603.19708	1.6
605.21198	2.2
609.19794	3.6
615.20013	2.3
617.21515	1.5
621.20898	1.2
623.21692	1.0
627.19250	0.9
633.21405	5.6
635.22467	2.0
640.19641	0.8
645.21381	3.8
651.22119	4.8
663.22119	7.1
669.23102	1.3
681.23297	8.1
693.23529	4.3
699.23828	1.5
711.24371	11.6
729.25354	5.5
745.24445	2.7
779.30481	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	1.1
66.04726	0.7
69.07075	3.0
69.24122	5.5
75.57774	0.5
78.04739	0.6
78.94207	0.6
79.05488	1.1
81.03428	3.6
81.07070	1.2
83.04967	2.9
91.05485	3.0
93.03358	0.7
93.07051	0.9
94.04191	1.5
95.04987	1.5
103.05486	2.1
105.07046	1.4
107.04967	2.4
109.02890	1.4
109.06483	1.0
111.04444	1.6
113.05986	1.8
115.05434	3.6
116.06229	1.0
117.07013	2.3
119.04938	1.3
121.02893	0.9
121.06519	2.0
122.03643	2.0
123.04429	2.9
128.06210	3.4
129.07022	5.9
131.04944	4.8
131.08591	1.2
132.05737	1.3
133.02823	1.2
133.06525	1.5
135.04402	3.3
136.05219	1.2
137.02350	2.5
137.05992	44.2
141.07011	1.0
142.98126	0.6
143.04936	2.4
143.08569	1.6
144.05716	2.6
145.06491	18.1
146.07280	4.4
147.04388	1.7
147.08118	0.7
149.05971	1.1
151.03955	4.7
151.07556	24.1
153.05515	0.7
155.06056	1.5
156.05711	1.2
157.06506	8.0
158.07277	5.4
159.04428	2.4
159.08066	15.3
160.05199	3.7
160.08821	4.0
161.05980	7.2
162.06754	2.7
163.03905	2.4
163.07564	1.9
165.01877	1.8
165.05505	2.8
165.06941	1.3
165.09100	0.8
167.03609	0.8
167.08568	0.9
169.06505	1.2
171.08138	2.9
172.05173	0.9
172.08847	16.6
173.06010	8.1
173.09589	1.2
174.06804	7.2
175.03946	3.7
175.07578	15.6
176.08342	6.4
177.09149	8.8
179.03435	0.7
179.07048	2.0
179.08510	0.8
181.06558	1.7
182.07301	1.5
183.08044	1.4
184.08855	1.2
185.05991	2.3
186.06744	1.4
187.07550	10.6
188.08347	18.8
189.09125	100.0
190.09674	2.2
191.03372	3.3
191.06981	1.2
191.08797	0.9
191.10674	6.3
192.04129	1.7
193.04991	1.7
193.06578	0.8
195.08109	1.7
196.08846	1.0
197.05864	0.8
197.09602	1.1
198.06770	1.2
199.07561	1.8
200.08334	2.8
201.05449	2.3
201.09123	17.1
202.09909	11.5
203.06998	2.7
203.10681	36.6
204.11081	0.7
205.08594	4.6
207.08139	1.3
208.08818	1.3
209.06004	0.7
209.09689	0.7
211.07590	1.9
212.08307	1.1
213.05487	0.9
213.09123	8.2
214.09850	1.5
215.07071	1.0
215.10663	5.2
216.07874	1.4
217.05022	0.9
217.08577	3.1
217.12277	0.8
218.07265	1.2
218.09430	0.8
219.08052	2.8
219.10115	12.5
219.13817	1.0
220.08804	1.0
221.09758	1.2
221.11748	1.5
223.07576	1.1
224.08411	2.1
225.05594	1.0
225.09151	2.7
226.09903	1.0
227.07080	1.9
227.10672	2.4
229.04973	1.1
229.08653	1.3
231.08286	1.4
231.10175	35.4
232.08725	1.4
233.09636	1.2
233.11751	0.8
234.06802	0.9
235.07686	2.9
235.09691	1.3
236.08310	1.1
237.09198	1.2
238.09897	1.4
239.07054	1.5
239.10640	2.8
240.07811	1.0
241.08652	4.1
241.12219	1.2
243.10356	0.8
243.13892	1.2
247.07710	1.2
247.09775	1.0
248.08392	1.5
249.11259	54.2
250.09737	0.9
251.10736	3.5
253.08621	2.1
254.09373	1.7
255.06526	2.1
255.10132	1.6
257.08255	0.9
257.11624	0.9
257.15338	1.2
261.09048	1.0
262.09930	1.4
263.07098	2.7
263.10498	3.5
264.07953	0.9
264.11597	1.1
265.08820	1.4
265.12216	1.0
267.06644	1.0
267.10214	2.9
269.08038	1.6
269.11862	1.0
269.15363	0.8
271.17029	1.6
275.07016	1.4
275.10425	1.0
276.07755	1.5
277.08670	3.0
278.09372	1.8
279.07263	0.9
279.10175	5.4
281.08023	0.9
281.11758	1.7
283.09680	1.1
289.08609	1.8
290.09412	0.9
291.06863	1.2
291.10052	5.4
293.08179	1.4
293.11642	2.2
295.09677	4.5
295.12659	0.9
297.07913	1.1
297.11069	1.3
299.16257	1.2
303.10156	1.3
305.08203	1.5
306.08914	1.5
307.09644	5.9
308.10416	2.4
309.11334	3.1
317.17532	0.9
319.09439	3.0
320.10403	2.1
321.07721	1.2
321.11145	5.6
323.09177	1.0
323.12769	0.9
325.10791	2.3
327.12360	1.5
333.11084	1.8
335.09125	2.2
337.10803	5.3
338.11627	1.5
339.12354	2.0
349.10880	1.9
350.11655	2.0
351.08646	0.9
351.12360	6.8
355.11707	2.5
367.11676	2.3
368.12378	6.3
369.13379	9.9
387.11069	0.8
407.11075	0.9
411.11612	0.7
425.12357	0.9
433.12759	0.7
459.14459	0.9
463.14352	1.1
479.14987	1.6
487.13367	0.9
497.16080	1.1
509.15991	2.0
513.15607	0.6
527.16809	1.8
531.16534	0.8
539.16827	0.9
557.18054	2.3
561.17389	1.4
573.17242	0.9
575.19141	0.8
579.19067	0.8
587.19739	1.4
591.18695	2.4
603.19800	0.9
605.21277	2.5
605.32349	0.7
609.19659	2.7
615.19867	3.1
617.21399	1.1
633.21259	8.1
635.22491	2.0
645.21320	3.3
651.21948	2.3
663.22302	8.0
675.21820	1.6
681.23248	10.2
693.23230	3.9
699.23346	0.9
711.24579	8.2
729.25104	2.4
745.24658	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	832.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56543	0.7
65.03936	0.8
67.05502	2.6
68.99816	0.7
69.03429	0.8
69.07078	4.8
70.84859	0.7
71.38223	1.3
71.38560	1.2
79.05479	2.4
81.03424	7.7
83.04993	9.4
86.09726	0.8
91.05492	3.1
93.03384	0.8
93.07047	0.9
94.04182	2.0
95.04968	1.9
103.05486	2.3
105.03368	1.2
105.07025	1.7
107.01384	0.8
107.04946	3.2
109.02840	1.1
109.06588	0.9
111.04455	3.5
113.06013	6.5
115.05462	4.7
116.06218	1.5
117.07013	3.0
119.04954	1.6
121.02905	0.8
121.06513	3.3
122.03662	3.1
123.04438	4.3
125.02352	0.8
125.05986	1.7
127.05476	0.8
128.06242	3.5
129.00130	0.7
129.07030	6.5
131.04945	6.3
131.08574	1.5
133.02788	1.0
133.06496	2.0
135.04424	4.3
136.05214	1.5
137.02324	2.2
137.05994	52.4
138.06764	1.0
141.07005	1.8
143.04936	2.4
143.08620	1.0
144.05721	2.9
145.06506	17.9
146.07227	5.2
147.04393	2.2
147.08063	1.5
149.02310	1.0
149.05977	2.2
151.03932	4.4
151.07568	28.4
152.07925	1.5
153.05472	2.6
153.06956	0.9
155.04883	1.1
156.05716	1.4
157.06493	9.9
158.07300	6.3
159.04453	2.8
159.08072	14.2
160.05219	3.5
160.08873	5.1
161.06001	7.5
162.06741	2.7
163.03928	2.4
163.07541	2.2
165.01836	3.0
165.05518	3.3
165.06886	0.9
167.03444	1.0
169.06461	1.4
171.04381	1.2
171.08070	4.8
172.05196	1.7
172.08858	16.6
173.06030	9.1
173.09334	0.8
174.06810	8.5
175.03922	3.0
175.07561	16.5
176.08354	6.2
177.05634	1.3
177.09132	9.4
178.02664	1.0
179.07060	3.4
179.08479	0.9
181.06503	1.7
182.07353	1.6
183.08102	1.9
184.08862	1.8
185.05986	2.3
187.07555	13.7
188.08340	21.8
189.05486	3.3
189.09128	100.0
190.06285	0.8
190.09636	2.7
191.03386	4.7
191.07025	1.4
191.09068	1.2
191.10718	9.7
193.04971	2.1
195.08047	2.4
196.08896	2.0
197.05980	1.8
197.09554	1.2
198.06870	1.5
199.07608	2.4
200.08351	3.2
201.05519	2.5
201.09117	18.0
202.08015	1.2
202.09920	14.0
203.07059	2.4
203.10687	39.5
204.11050	0.8
205.06705	1.5
205.08623	6.2
205.12242	1.7
207.08061	1.6
208.08916	1.3
209.06126	0.9
209.09807	0.9
210.06763	1.1
211.07565	1.8
212.08369	0.8
213.05611	1.7
213.09140	7.4
214.09807	1.7
215.07091	1.6
215.10736	4.6
216.07848	1.8
217.08574	4.1
219.08086	2.8
219.10120	14.1
219.13773	2.1
221.09738	1.6
221.11629	1.6
224.08328	1.3
225.05536	0.8
225.09122	2.7
226.10094	0.8
227.10728	2.1
229.04903	0.9
229.08607	2.5
229.12317	0.9
231.08205	1.8
231.10173	36.0
234.06718	0.9
234.10312	1.4
235.07594	2.4
235.09627	1.0
236.08322	0.8
237.09174	1.5
238.09843	1.2
239.06998	1.9
239.10675	4.1
241.04968	1.2
241.08580	5.0
241.12349	1.4
243.10216	0.9
247.07565	3.6
248.08363	2.2
249.09160	2.0
249.11264	47.9
250.09691	1.1
251.06935	1.6
251.10721	3.3
253.08662	2.6
254.09309	0.9
255.06619	2.1
255.10152	1.9
257.07910	1.0
261.09048	1.7
262.09894	1.1
263.07016	3.1
263.10681	2.3
264.07788	1.1
265.08630	3.7
265.12387	1.4
267.06622	2.1
267.10144	4.4
269.07904	1.1
275.07361	0.9
275.10693	1.0
276.07895	1.1
277.08627	3.3
278.09277	0.9
279.06845	1.4
279.10165	6.5
280.10892	1.2
281.08145	2.1
281.11456	1.1
283.09698	1.0
290.09366	1.7
291.07092	1.1
291.10165	4.4
292.11166	1.0
293.08154	1.1
293.11832	1.8
295.09589	3.7
296.10358	0.9
297.07794	1.0
297.11060	1.9
303.10220	1.5
305.08130	1.9
306.08817	1.4
307.09674	8.4
308.10297	1.8
309.07925	1.3
309.11124	5.0
313.10916	0.8
319.09659	2.3
320.10428	3.1
321.11246	5.1
325.10715	1.6
333.11282	1.1
335.09064	1.3
337.10675	3.3
338.11530	1.7
339.12302	1.7
343.11868	0.9
349.10809	2.5
350.11475	1.7
351.12341	5.5
355.11725	3.9
367.11716	2.2
368.12518	4.7
369.13470	7.0
395.11786	1.0
429.13782	0.9
451.13965	1.8
479.14645	1.3
481.16052	0.9
487.13583	1.0
497.15814	1.4
509.15970	1.8
527.16840	1.6
531.16315	2.1
533.18237	1.1
539.16937	1.0
543.16309	0.9
557.17773	1.8
561.17505	3.2
573.18097	0.9
579.18408	4.3
587.18744	1.1
591.18671	1.3
605.20569	1.2
609.19690	2.9
615.20154	2.7
623.21198	2.6
633.21265	8.3
635.23083	1.3
645.21008	1.7
663.22321	6.3
670.54199	0.8
681.23584	7.7
693.22900	1.8
699.24097	1.2
711.24579	5.9
729.25354	1.5
745.24304	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	831.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21521	0.5
61.02933	5.8
67.05515	5.1
69.03435	4.2
69.07078	0.8
70.64178	1.5
71.08632	1.7
73.02918	4.5
81.03430	1.9
81.07050	1.6
83.08641	0.6
83.25481	0.5
85.02917	5.7
91.03953	4.3
95.08640	1.5
97.02889	5.8
99.04469	1.3
101.02390	2.0
109.02884	1.2
109.10172	5.8
118.26521	0.5
127.03928	2.8
128.94453	0.6
173.11821	2.1
185.04254	0.8
203.05293	0.7
229.14496	1.2
233.87556	0.6
238.12503	0.6
243.08533	2.6
313.27310	0.8
321.76877	0.6
331.62793	0.5
347.09616	2.9
405.13763	6.1
413.17859	11.8
421.13809	0.6
446.81488	0.6
497.30795	6.1
575.23206	11.6
576.23987	0.7
611.30530	0.6
659.36151	6.0
669.42267	3.0
831.47113	100.0
832.47229	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	832.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	1.0
69.07070	5.6
71.20453	0.9
71.53895	1.6
78.41671	1.0
79.05480	2.5
81.03432	7.5
83.04974	9.6
85.59496	1.0
86.09693	7.0
87.10031	1.3
91.05462	3.4
95.04961	2.5
97.02879	1.1
103.05462	2.6
105.06983	1.9
107.04936	3.1
108.05798	1.2
109.02831	1.5
109.06510	2.0
111.04427	4.5
113.06012	6.0
115.05437	4.9
116.06194	1.6
117.06995	3.6
119.04935	1.9
120.08117	2.3
121.06493	2.9
121.08483	1.8
122.03632	3.7
123.04408	4.4
128.06154	3.0
129.06987	6.3
131.04909	7.1
131.08511	1.7
132.05721	1.4
133.02840	1.4
133.06493	1.8
135.04411	3.1
137.02350	1.4
137.05989	46.8
138.06773	1.2
141.06996	2.6
143.04932	2.1
143.08551	2.7
144.05714	1.6
145.06483	20.9
146.07262	5.9
147.04396	3.7
149.02328	1.8
149.06015	1.4
151.03918	4.9
151.07550	36.0
153.05508	2.2
156.05678	1.8
157.06485	7.9
158.07251	6.1
159.04401	2.9
159.08076	17.5
160.05147	4.3
160.08839	4.2
161.05934	6.7
162.06761	2.3
163.03934	2.9
163.07500	2.0
165.01756	1.8
165.05489	3.0
165.06905	1.4
169.06380	1.8
171.08102	3.1
172.05252	1.7
172.08846	15.7
173.06007	10.5
173.09612	1.5
174.06778	9.3
175.03920	3.9
175.07562	14.9
176.08342	8.3
177.05396	1.4
177.09167	8.6
179.06996	2.9
181.06499	1.3
182.07344	2.4
183.08069	2.6
185.05952	1.7
186.06705	1.6
187.07544	10.1
188.08336	21.1
189.09116	100.0
190.09821	2.8
191.03426	4.1
191.07028	2.3
191.10651	6.2
192.04254	2.4
193.04895	2.4
195.08128	1.6
196.08795	2.4
197.06032	1.7
198.06825	1.6
199.07523	2.3
200.08377	1.7
201.05548	2.6
201.09114	17.0
202.09883	14.4
203.07036	2.1
203.10666	42.7
205.06664	1.3
205.08588	4.5
207.08107	2.0
208.08775	1.7
211.07489	1.3
212.08340	1.8
213.09093	10.3
214.09885	1.4
215.10706	2.9
217.04860	1.3
217.08633	4.2
218.09293	1.4
219.08102	2.6
219.10106	16.0
220.08916	1.4
221.11763	1.5
223.07657	2.0
225.09113	3.4
226.09811	1.5
227.06993	1.7
227.10599	2.3
229.04938	2.0
229.08531	1.7
231.08269	1.7
231.10165	37.9
235.07599	2.5
236.08316	1.2
239.10664	3.8
241.08632	4.7
247.07535	3.7
248.08429	2.4
249.11244	61.3
251.10672	3.4
252.07925	1.3
252.11694	1.2
253.08606	2.4
253.12262	2.0
255.06525	2.0
255.10197	2.2
257.11606	1.4
261.09134	2.5
262.09900	1.5
263.06989	2.9
263.10614	4.5
264.07764	1.4
265.08652	1.6
267.10071	4.3
269.08136	1.7
275.07083	1.6
275.10593	1.6
276.07559	1.3
277.08612	4.3
278.09149	1.2
279.10242	6.4
280.10797	1.2
287.09286	1.6
289.08588	1.7
291.10184	6.4
293.08261	3.5
293.11594	2.1
295.09683	3.9
297.11142	2.0
306.08722	1.9
307.09607	7.7
308.10464	2.6
309.11237	4.0
319.09601	3.2
320.10416	4.2
321.11261	6.9
323.09323	1.2
325.10632	3.1
327.12387	1.9
335.09100	2.1
337.10651	6.6
338.11377	1.2
339.12387	2.8
343.11917	1.4
349.10687	2.3
350.11270	1.3
351.12396	8.0
355.11807	2.6
367.11523	2.2
368.12527	8.7
369.13409	10.7
425.12296	1.2
451.13956	1.5
455.13766	1.7
479.14761	1.9
497.16049	2.6
509.15646	2.5
515.16614	1.3
527.17047	5.9
531.16101	2.9
533.17798	1.2
557.17975	2.6
561.17560	2.7
579.18762	5.1
591.18231	1.6
601.18756	1.3
605.21246	1.3
609.19763	3.0
614.39728	1.1
615.20551	2.5
617.21985	1.2
623.21490	1.8
633.21289	9.8
645.20874	2.8
651.22064	3.2
663.22571	4.9
673.45593	1.4
681.22992	7.3
693.23401	2.6
711.24249	5.0
745.25250	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	829.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02656	0.5
61.02934	3.6
63.47006	0.6
67.05515	3.4
69.03435	2.2
69.07066	1.6
69.60425	1.1
69.60833	2.3
71.01348	0.6
71.05002	0.6
72.38493	0.6
73.02930	3.2
79.05503	4.2
81.03426	0.9
81.07067	4.4
83.08627	0.7
83.33575	0.6
85.02917	4.1
91.03969	2.3
91.05482	4.3
93.07054	5.5
95.05003	0.9
95.08593	3.1
97.02893	2.9
101.02400	1.3
105.07048	3.8
107.08635	2.3
109.10175	1.0
112.36233	0.5
117.07062	1.6
119.08613	3.1
121.10168	2.1
127.03938	1.2
131.08594	1.3
131.81050	0.5
133.10184	2.6
135.11623	1.1
145.10181	1.2
147.11763	1.6
150.51836	0.6
159.11752	1.0
184.07368	0.6
185.04305	1.7
203.05521	0.7
243.08394	3.6
259.20621	1.3
259.23138	0.5
301.09116	1.8
301.14630	0.7
313.27457	0.7
315.10696	1.0
317.20914	1.1
397.18311	0.6
465.21048	1.9
525.23163	1.9
535.28741	12.8
607.31146	2.6
829.50787	100.0
830.50964	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	829.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	4.4
65.03918	0.4
67.05511	5.5
69.03433	3.5
69.07072	1.6
69.19933	4.2
71.01353	0.5
71.05002	0.8
73.02929	3.1
79.05501	3.1
81.03429	1.4
81.07066	4.5
81.65197	0.4
82.13725	0.4
83.08637	0.5
85.02911	3.8
91.03976	3.0
91.05510	1.3
93.07047	3.7
95.04995	0.8
95.08605	3.1
97.02890	3.9
97.10159	0.5
99.04478	0.4
101.02413	1.3
105.07066	1.2
107.08604	1.4
109.10194	1.4
117.07033	0.6
119.08564	1.1
121.10167	1.3
127.03935	1.2
131.08603	0.5
133.10124	0.9
135.11699	1.0
145.05037	0.5
147.11690	0.5
149.13266	0.8
185.04248	0.7
243.08427	2.1
248.86353	0.5
322.53110	0.4
333.20450	2.3
413.18036	0.5
519.29297	4.9
551.28485	2.5
829.50751	100.0
830.51166	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	829.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20698	0.3
65.03927	0.6
67.05504	0.7
68.99792	0.8
69.03437	0.8
69.07079	2.4
69.75032	0.7
69.75443	1.3
79.05508	2.0
80.06261	0.4
81.03429	11.9
83.01370	0.4
83.04979	2.8
85.02919	0.9
91.05489	4.0
93.03380	0.7
93.07089	0.8
94.04179	0.5
95.04974	1.5
97.02905	3.6
103.05458	0.8
105.03382	0.9
105.07047	1.4
106.99790	0.3
107.04971	4.0
108.05745	1.5
109.02874	1.3
109.06556	0.5
109.36525	0.3
111.04430	1.6
115.05434	3.2
115.06077	0.3
116.06236	0.4
117.07006	2.0
119.08578	0.6
120.97169	0.3
121.02883	0.7
121.06498	2.8
122.03624	0.8
123.04423	1.1
125.01469	0.6
125.02370	9.9
128.06172	2.6
129.07037	3.4
130.07768	0.3
131.04936	2.6
131.08574	1.5
132.05704	0.5
133.02798	0.5
133.06505	1.7
135.04416	3.7
136.05214	2.9
137.02382	0.5
137.05992	16.6
138.06760	0.7
139.03893	0.9
141.07027	1.4
142.07800	0.9
143.04933	1.6
143.08598	1.5
144.05724	1.8
145.05409	0.6
145.06503	10.4
146.07326	2.6
147.04408	0.7
147.08046	1.4
149.02379	0.9
149.05989	1.1
151.04034	3.6
151.07556	100.0
152.06216	0.8
152.07941	0.6
153.01804	0.5
153.07024	0.7
155.03418	9.0
155.04736	0.6
155.08519	0.7
156.05707	0.6
157.06500	4.4
158.07298	5.3
159.04480	2.3
159.08060	6.1
160.05190	2.4
160.08824	2.5
161.06000	4.5
161.09616	0.5
162.06796	0.8
163.03947	1.1
163.07536	1.3
165.01892	0.5
165.05458	1.3
165.07028	1.1
165.09067	0.6
166.07793	0.5
167.03433	2.1
167.08592	0.8
168.05698	0.5
169.06493	1.3
171.08092	4.7
172.08847	11.4
173.05997	5.6
173.09618	1.2
174.06786	12.5
175.03893	1.4
175.07561	9.4
176.08344	4.8
177.05513	0.5
177.09146	5.6
178.07814	0.6
179.03389	1.1
179.07076	0.5
179.08516	0.5
180.05611	0.5
181.04988	0.6
181.06499	2.2
182.07231	1.5
183.02841	0.6
183.08067	2.3
184.05328	0.4
184.08836	1.1
185.06007	1.2
185.09573	0.5
186.06799	1.3
187.05896	0.4
187.07564	8.3
187.11177	1.0
188.08344	15.7
189.05492	1.4
189.09125	68.5
190.09720	1.4
191.03369	1.1
191.06995	0.6
191.08733	0.7
191.10660	5.1
194.07251	0.9
195.08022	2.8
196.08865	7.4
197.05969	1.1
197.09641	1.2
198.06752	1.3
199.07547	2.6
199.11240	0.7
200.08316	3.6
201.05466	1.2
201.09134	14.9
202.09904	8.8
203.07164	1.9
203.10684	24.7
204.07863	1.0
204.11491	1.6
205.08562	2.5
205.12267	3.1
207.08084	0.9
208.08885	1.0
209.04317	0.5
209.09613	1.3
210.06795	0.6
210.10367	0.8
211.07565	1.8
211.11137	0.9
212.08382	3.1
212.12067	0.6
213.09114	7.5
213.12373	0.4
214.09941	1.0
215.06943	0.7
215.10689	3.3
216.07803	2.2
216.11380	0.5
217.08646	1.7
217.12263	1.9
218.09283	0.4
219.08142	1.4
219.10170	14.9
219.13542	2.4
220.08890	0.6
221.09818	0.6
221.11732	1.0
222.10413	0.8
223.07607	0.9
223.11137	1.1
224.08382	1.4
225.09122	2.7
225.12794	0.5
226.09937	3.5
227.10684	9.0
228.07823	0.6
228.11461	0.8
229.08626	1.4
229.12247	2.0
230.09386	0.4
231.10184	29.9
231.13878	0.9
232.08713	0.5
233.09792	0.8
234.06723	0.6
234.10352	1.3
235.07625	0.8
235.09439	0.5
235.11345	0.6
237.09067	1.1
238.09901	1.3
239.06932	0.4
239.10661	3.9
240.07825	0.6
240.11493	0.6
241.08592	0.7
241.12210	2.1
242.12982	0.8
243.10208	2.2
243.13853	2.6
245.15317	0.7
247.07510	0.9
247.09668	0.8
248.08289	0.7
249.09158	1.0
249.11258	20.4
250.09830	0.8
251.07068	0.4
251.10635	1.7
252.11433	0.7
253.08588	0.5
253.12198	1.6
254.09329	0.6
254.13042	0.5
255.10155	1.9
255.13803	1.4
256.11032	0.4
257.11832	1.0
257.15308	2.1
261.08987	0.5
261.11267	1.2
261.14963	0.6
262.09882	0.9
263.07062	0.5
263.10657	1.8
265.08774	0.6
265.12228	1.1
266.09653	0.4
267.10165	1.4
267.13898	0.7
269.11667	1.7
269.15182	0.8
270.12369	1.6
271.09735	0.5
271.16891	1.0
273.15012	0.4
275.10645	0.4
276.07788	0.7
277.08539	0.8
278.09396	0.8
279.10095	0.9
281.08905	0.4
281.11743	2.4
281.15341	1.1
283.09735	0.7
283.13306	1.0
285.15030	0.7
287.16486	0.9
290.09247	0.4
291.10159	1.8
293.08240	0.7
293.11691	1.3
294.08792	0.6
295.09494	0.8
296.10458	0.6
297.11261	0.5
299.12860	0.8
299.16403	2.6
306.08926	0.5
307.09628	1.0
309.11264	5.2
311.09634	0.4
311.12585	1.6
317.17401	1.6
319.09637	0.6
321.11246	0.6
323.12885	0.7
325.10666	1.2
327.12195	1.4
335.12720	0.4
337.10818	3.1
339.12222	1.8
341.14011	0.5
355.11728	3.3
356.12360	0.5
357.13345	10.0
367.11740	1.4
369.13083	0.4
371.14844	0.4
373.12799	0.6
385.12875	7.9
391.19244	0.4
397.12653	0.5
403.13889	0.6
405.17020	0.4
409.20087	1.1
415.13931	0.5
425.19519	1.3
453.19061	0.9
570.29456	0.4
730.94202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	2.2
61.02933	8.7
65.03945	1.0
67.05510	51.8
69.03439	1.9
69.07074	4.1
69.36948	2.7
71.05002	1.9
71.08639	13.5
71.70464	0.3
73.02929	3.4
79.05499	1.1
81.03419	1.1
81.07063	12.6
83.08627	8.5
83.09127	0.6
84.67290	0.3
85.02911	11.2
85.06550	2.1
85.10188	8.1
87.04482	0.6
89.06050	0.7
91.03963	7.8
91.05486	3.1
93.07080	1.7
95.08617	12.9
96.04480	0.4
97.02902	6.1
97.10181	2.9
99.04490	1.1
99.11765	0.5
101.09995	0.3
103.03923	0.5
103.07577	0.5
107.08610	1.2
109.10163	59.3
111.08083	2.2
111.11674	0.5
115.03889	0.4
116.07130	0.4
117.09170	0.3
119.08566	3.5
123.11700	2.1
127.03929	2.6
130.08644	0.4
137.09615	2.8
137.13297	0.9
141.17892	0.3
145.04951	3.1
155.10670	6.6
155.11900	0.4
163.06029	4.7
165.16417	0.4
173.11749	14.3
221.22652	0.5
229.14366	100.0
230.14809	1.0
232.89566	0.3
239.23680	2.0
257.24796	1.6
260.30392	0.4
313.27380	75.1
314.27795	1.2
373.19260	0.4
467.37369	64.2
468.37598	1.2
600.56805	0.4
783.93927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25830	0.5
61.02935	3.4
65.37109	0.5
67.05520	5.6
68.77669	0.7
69.03440	2.3
69.07075	3.0
69.14559	1.9
69.14981	3.5
71.04978	0.5
71.08662	0.6
73.02933	2.6
79.05490	4.0
79.52596	0.6
81.03442	1.3
81.07048	4.0
83.04945	0.6
83.08646	1.2
85.02914	3.7
91.03975	1.8
91.05500	4.8
93.07057	5.5
95.04997	1.0
95.08620	3.1
97.02898	3.1
99.04430	0.6
101.02405	1.2
105.07031	5.1
107.08569	2.7
109.02886	0.8
109.10175	2.9
110.10514	0.8
116.07124	0.7
117.07058	1.0
119.08604	3.1
121.10166	1.3
127.03930	1.2
129.07083	0.7
131.08620	1.0
133.10155	2.4
145.10127	1.2
147.11722	1.5
159.11685	1.1
161.13316	0.6
173.11804	1.1
179.14340	0.8
184.07343	1.2
203.05316	0.8
229.14371	3.2
230.14813	1.6
243.08365	3.1
301.09109	1.1
313.27444	2.2
314.27768	2.4
315.10818	0.9
315.19370	5.7
371.21588	1.0
373.11603	0.9
465.21246	1.8
467.37350	0.7
468.37823	2.2
531.89185	0.7
533.27423	8.5
535.28778	6.6
605.29681	1.7
633.33112	0.7
827.49207	100.0
828.49200	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	829.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02398	0.3
65.03938	0.8
67.05514	0.8
68.30305	0.4
68.99802	1.4
69.03416	0.7
69.07072	1.1
75.04477	0.6
77.03948	0.3
79.05503	1.8
81.03422	11.2
83.01334	0.4
83.04996	2.1
85.02912	0.9
86.09713	0.6
91.05473	3.3
93.03407	0.6
93.07082	0.4
94.04199	0.4
95.01331	0.3
95.04996	1.4
95.76104	0.3
97.02900	3.0
99.04474	0.3
103.05463	1.0
105.03395	1.1
105.07020	1.7
106.04172	0.3
107.04960	4.2
108.05730	1.6
109.02878	1.0
109.06528	0.7
111.04439	1.5
115.05439	2.9
116.06240	0.6
117.07025	2.2
119.04957	0.4
121.02895	0.8
121.06512	2.7
122.03648	1.1
123.04437	1.2
125.02359	8.4
128.06215	3.0
129.07008	3.6
131.04933	2.5
131.08618	1.5
132.05742	0.5
133.02878	0.4
133.06512	1.5
135.04413	3.3
136.05206	3.3
137.02351	0.8
137.05980	16.8
138.06738	0.7
139.03891	0.9
141.01857	0.4
141.06981	1.4
142.07788	0.4
143.04918	2.0
143.05942	0.5
143.08572	1.2
144.05734	2.3
145.06488	11.4
146.07295	2.6
147.04378	0.7
147.08009	0.6
149.02325	0.6
149.05963	0.4
151.03981	5.5
151.07549	100.0
152.06145	0.5
152.07907	0.8
153.01839	0.3
153.05466	0.6
153.06992	1.0
155.03407	9.4
155.04765	0.5
155.06062	0.3
155.08487	0.6
156.05740	1.1
157.06490	4.6
158.07286	5.2
159.04449	2.1
159.08064	6.9
160.05214	3.3
160.08821	2.6
161.05980	5.5
161.09552	0.4
162.06750	1.2
163.03874	0.5
163.07515	0.8
165.01802	0.4
165.05469	1.6
165.07024	1.3
165.09122	0.8
167.03395	3.0
168.05727	0.5
169.06477	1.2
170.07266	0.5
171.04367	0.4
171.08057	4.8
172.05150	0.7
172.08841	11.4
173.05998	6.1
173.09575	1.2
174.06775	13.7
175.03961	1.0
175.07559	14.3
176.08311	4.7
177.05510	0.4
177.09105	5.4
178.07785	0.4
179.03389	1.1
179.07080	0.6
179.08469	0.5
180.05685	0.7
181.05008	0.5
181.06451	2.1
182.07263	1.2
183.02895	0.3
183.04396	0.3
183.08057	2.0
184.05205	0.3
184.08853	0.9
185.06036	1.1
186.06734	0.9
187.07553	9.7
188.08331	18.3
189.09113	86.1
190.07919	0.4
190.09677	1.3
191.03412	0.6
191.07036	0.5
191.08658	0.6
191.10663	5.2
194.07269	0.5
195.08089	2.2
196.08836	9.2
197.05974	1.1
197.09584	1.3
198.06747	1.0
199.07555	1.8
199.11166	0.3
200.08328	3.6
201.05441	0.9
201.09109	15.3
202.08078	0.4
202.09886	10.7
203.07033	1.5
203.10672	25.0
204.07771	0.7
204.11420	0.9
205.04881	0.4
205.06720	0.6
205.08572	2.3
205.12289	0.5
206.07364	0.4
207.08046	1.2
208.08859	0.8
209.06009	0.4
209.09576	1.2
210.10397	0.6
211.07529	2.6
212.08301	3.4
213.09119	9.0
214.09924	0.6
215.07068	0.7
215.10674	3.0
216.07828	3.2
216.11348	0.3
217.05049	0.4
217.08548	1.9
217.12265	0.9
218.07222	0.6
218.09363	0.5
219.08134	1.6
219.10152	18.8
219.13811	1.3
220.07141	0.6
221.09645	1.1
221.11696	1.2
222.06647	0.4
222.10342	0.6
223.07541	0.7
223.11191	0.6
224.08331	1.2
225.09090	2.1
226.09856	4.0
227.10670	10.5
228.07771	0.4
228.11395	0.7
229.08690	1.5
229.12175	0.9
229.29478	0.3
230.09328	0.6
231.10164	36.5
232.10725	0.8
233.07729	0.4
233.09651	0.9
234.06604	0.3
234.10408	1.6
235.07481	1.4
235.09631	1.2
236.08301	0.9
237.09123	1.2
238.09891	1.1
239.07106	0.5
239.10651	4.1
240.07852	0.4
240.11470	0.6
241.08510	1.0
241.12296	2.4
242.09337	0.3
242.13045	0.7
243.10211	2.1
243.13779	1.4
245.09801	0.3
245.15268	0.4
246.06815	0.4
247.07515	0.7
247.09706	0.6
248.08281	1.1
249.09138	1.2
249.11249	22.1
250.09872	0.9
251.06911	0.4
251.10648	1.1
252.07683	0.4
252.11452	0.9
253.08476	0.6
253.12314	2.1
254.09244	0.6
255.10146	1.9
255.13666	0.4
256.10962	0.3
257.11731	1.3
257.15363	1.3
260.08328	0.4
261.11273	0.8
261.14780	0.6
262.06143	0.3
262.09872	0.9
263.07043	0.6
263.10663	2.9
264.07635	0.4
265.08975	0.5
265.12210	1.6
266.09317	0.6
267.10104	1.4
267.13504	0.5
268.10995	0.4
269.11765	1.6
269.15347	1.0
269.63449	0.3
270.09015	0.4
270.12466	2.2
271.09656	0.6
271.16895	0.7
276.07669	0.6
277.08643	0.8
278.09329	1.4
279.10138	1.3
280.10910	0.4
281.08517	0.7
281.11746	2.2
281.14920	0.6
283.09973	0.6
283.13232	0.9
285.11215	0.3
287.16428	0.5
291.06818	0.5
291.10098	2.2
292.11063	0.4
293.08347	0.6
293.11655	1.5
294.08908	0.6
295.09509	0.8
295.12772	0.4
297.11212	1.3
299.12729	0.8
299.16415	1.4
305.11801	0.4
306.08789	0.4
307.09738	0.7
309.07742	0.5
309.11200	6.2
311.09521	0.4
311.12845	2.2
313.10565	0.5
313.14285	0.4
317.17435	0.9
319.09592	1.0
321.11166	0.8
323.12808	1.3
325.10687	2.0
327.12296	2.0
337.10663	3.5
339.12241	2.9
341.13803	1.3
343.11902	0.4
349.10736	0.6
355.11737	3.9
356.12469	0.7
357.13336	14.7
367.11804	1.8
373.12726	0.9
377.17111	0.3
385.12808	11.5
403.13690	1.0
425.19458	0.5
471.20139	0.5
784.53015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	4.9
67.05510	47.7
69.03426	4.1
69.07083	14.1
69.59941	5.6
69.60350	11.0
71.05008	3.1
71.96493	2.2
76.92321	2.0
77.03939	2.8
79.05497	41.4
81.07059	43.1
83.04951	2.9
83.08622	11.9
84.04497	5.5
85.02896	3.7
91.05481	52.6
93.07052	49.1
95.04962	4.0
95.08614	36.7
97.02897	3.9
97.10159	4.9
105.07039	47.7
107.08595	25.4
109.10188	15.6
115.05490	4.1
116.07111	4.5
117.07028	26.8
119.08586	37.5
121.06476	2.4
121.10165	17.1
123.11715	4.5
123.77959	2.2
128.06148	3.5
129.06984	10.9
130.07808	3.8
131.08582	26.0
133.10139	26.0
135.11702	7.7
141.06990	6.9
141.22070	2.4
143.08554	20.3
145.10124	25.1
147.11707	15.5
149.13295	7.2
155.08586	7.8
157.10126	15.8
159.11708	18.3
161.13306	8.3
167.08621	2.9
169.10139	11.8
171.11690	10.5
173.13264	12.4
181.10143	7.2
183.11679	12.0
185.13245	11.0
187.14839	4.4
195.11732	7.9
197.13260	5.1
199.14842	6.9
209.13248	5.9
211.14839	5.3
213.16344	5.1
223.14838	4.9
225.16374	5.8
227.17999	3.4
237.16376	3.3
239.18057	4.7
249.16487	2.6
257.19064	4.5
259.20691	8.3
333.24216	5.6
352.38644	2.4
500.35104	2.6
515.37347	3.6
517.40308	11.3
535.41760	5.2
561.47089	2.9
591.44177	9.8
609.45178	100.0
610.45251	3.9
771.49731	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	826.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.7
67.05508	11.8
68.99788	1.6
69.03424	3.4
69.07066	3.9
69.43076	8.0
71.04968	1.1
71.08633	1.1
79.05499	9.2
81.03428	15.1
81.07070	8.5
83.04964	1.2
83.08638	1.6
85.02902	2.9
87.62471	1.0
91.05484	8.3
93.03400	2.2
93.07052	8.4
95.04951	1.9
95.08604	8.2
97.02901	2.4
99.04440	1.6
105.07035	5.9
107.04980	2.5
107.08617	3.7
109.02880	1.6
109.10160	8.7
115.05460	2.3
116.07051	1.0
117.07034	4.1
119.08574	4.3
121.02894	1.3
121.06474	1.4
121.10153	3.6
123.11766	1.3
127.75624	1.0
129.07030	2.7
131.04948	3.0
131.08578	4.6
133.02835	2.5
133.06516	1.2
133.10141	2.5
135.04416	1.6
135.11679	2.9
136.05209	1.6
137.02344	1.7
143.08574	2.6
145.06500	2.2
145.10110	1.9
147.04411	1.1
147.11719	1.4
151.03922	52.7
151.07552	66.6
157.06544	4.8
157.10188	1.1
158.07317	6.4
159.04437	5.2
159.08069	3.4
159.11696	2.4
159.30800	1.0
161.06010	4.1
161.13239	1.9
163.03893	1.6
165.05501	2.2
167.03438	1.2
171.08072	1.8
171.11742	1.5
172.08835	4.2
173.06009	3.9
173.09612	1.1
173.11783	1.0
174.06781	13.9
175.03944	3.2
175.07541	2.7
177.09116	1.9
186.06749	3.2
187.07558	3.7
188.08299	7.5
189.05463	3.4
189.09116	41.6
201.05609	5.5
201.09120	100.0
202.09888	14.2
203.10652	12.7
213.09137	1.9
215.10677	3.3
219.06644	1.8
219.10156	22.9
229.14380	4.9
231.10162	21.5
233.11775	2.5
234.06662	1.2
236.08401	1.1
238.09842	1.2
241.08727	1.4
247.07631	1.9
249.07556	4.1
249.11269	24.4
261.22040	1.8
262.09909	2.6
263.07062	3.1
269.08054	1.0
276.07703	1.2
277.08591	6.3
278.09387	3.2
279.06448	1.3
281.11716	1.4
289.08679	1.8
290.09286	5.8
292.10901	1.0
293.08286	1.9
293.11737	3.9
294.08908	1.7
298.08438	2.1
299.09119	1.6
305.08060	3.7
306.08734	1.6
307.09610	2.3
308.10379	3.0
309.07666	1.6
309.11139	2.4
313.27435	5.0
320.10498	4.1
321.07739	2.1
321.11240	5.9
324.10083	2.9
336.09833	1.7
339.12326	13.4
351.12268	28.3
353.13928	1.9
359.25574	1.1
369.13358	63.8
369.23917	2.3
370.13760	1.8
387.25443	1.7
405.26315	2.0
467.37335	4.5
713.67712	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18101	1.1
59.05000	1.2
61.02911	2.4
65.03924	3.8
65.04234	1.1
67.05511	98.4
68.56073	1.2
69.03440	9.6
69.06736	2.0
69.07076	27.3
69.71854	1.1
70.05862	1.4
70.07253	5.0
71.05016	6.4
71.97204	1.1
72.73177	1.0
73.02894	1.8
77.03914	2.1
79.05499	72.0
81.03424	11.0
81.07066	90.2
83.05001	9.6
83.08620	16.0
84.29510	1.1
85.02907	4.9
85.06528	5.3
90.83302	1.2
91.05489	61.6
93.07052	83.2
95.04980	9.8
95.08618	60.9
97.02886	3.4
97.06541	10.0
97.10188	6.1
99.04446	1.4
99.08081	3.3
105.04550	2.9
105.07042	37.1
107.04943	3.9
107.07876	2.2
107.08606	44.4
108.55285	1.1
109.02900	1.5
109.06517	4.5
109.10165	26.2
111.08063	4.7
115.05447	1.4
117.07033	17.5
119.08582	30.1
121.06500	4.4
121.10155	30.1
123.08051	3.8
123.11718	7.3
124.57310	1.1
125.09602	3.3
127.03922	2.8
128.06169	1.3
129.05504	1.3
129.07024	6.5
131.08578	27.9
133.06508	1.5
133.10146	25.3
135.08070	3.2
135.11705	19.7
137.09612	3.0
137.13232	2.0
141.07063	1.8
143.08572	5.1
145.10141	19.0
147.08124	1.4
147.11714	12.4
149.09654	5.4
149.13269	10.6
151.11192	2.5
155.08560	2.4
157.10136	6.6
159.11708	15.5
161.13275	7.8
163.11217	4.7
163.14799	1.3
169.10123	4.3
171.11679	5.1
173.04515	1.6
173.09636	1.4
173.11900	2.0
173.13235	8.7
175.14867	3.2
177.12679	1.7
183.11679	1.9
184.07338	3.2
185.13219	4.1
187.11150	2.2
187.14745	2.3
195.11731	1.2
195.13795	3.2
197.13235	4.3
199.14745	2.5
206.60812	1.2
217.15862	1.6
219.17488	1.9
227.12849	2.9
229.14281	7.1
229.19629	2.2
239.17963	2.2
243.21092	2.8
255.15909	4.4
257.19055	7.1
259.20511	2.9
261.22137	12.3
267.29498	1.3
269.17499	15.0
275.20108	19.5
277.21649	2.0
291.19556	2.9
309.20630	3.9
317.24826	2.3
333.24423	1.7
335.25824	100.0
336.26123	2.4
349.23740	20.3
351.25079	1.4
367.24734	4.0
406.24396	1.3
473.36606	1.3
489.35736	7.6
493.27319	1.2
515.37524	12.2
527.38483	1.8
529.38934	43.0
540.46368	1.3
543.40277	1.7
569.41949	13.6
609.36176	1.7
609.45160	23.7
627.46545	7.2
673.42682	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	824.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	0.5
65.03942	2.7
67.05495	1.2
68.99788	0.5
69.03432	0.7
70.06587	0.8
71.53211	0.6
72.30085	0.3
75.04487	2.4
77.03934	0.9
78.04716	2.1
78.24031	0.3
79.05498	3.0
81.03412	1.4
81.07053	0.8
82.04172	0.5
84.08131	0.6
85.02905	3.9
89.03911	0.6
89.06026	0.6
89.51317	0.3
91.05486	8.7
92.06245	0.4
93.02832	0.5
93.03410	7.0
93.07047	3.5
95.04979	4.3
97.02892	0.7
97.06547	2.7
103.05467	11.8
105.03421	1.1
105.04530	0.7
105.07025	5.0
106.04180	17.5
107.04964	5.5
108.02112	0.4
109.06518	1.0
110.03661	1.1
111.04461	0.9
115.05481	3.0
117.03365	1.0
117.07008	2.1
118.04163	2.6
119.04927	1.5
120.05696	0.5
121.06513	17.6
121.07391	0.8
122.03633	0.4
123.04413	2.8
123.08110	1.0
124.05221	1.1
125.06004	6.2
128.06239	0.4
129.07019	1.1
130.04184	0.8
131.04936	11.3
131.05959	0.7
131.08591	0.7
132.05687	1.3
133.02840	1.1
133.06490	5.2
134.03635	2.1
135.04428	1.2
135.08008	1.3
136.07582	0.5
137.05978	4.3
138.03120	0.6
138.06721	0.6
139.07538	2.2
142.02675	0.6
143.04910	0.8
143.05975	0.5
144.05688	0.8
145.02856	1.0
145.06490	2.5
146.03638	0.8
146.07222	0.6
147.04433	0.9
147.08061	1.5
148.05186	7.1
149.05991	28.3
151.03893	2.2
151.07538	1.7
152.04671	1.1
153.05508	2.5
153.09109	7.9
155.06032	0.5
157.06522	0.6
159.08095	0.9
161.06000	5.4
163.03908	0.9
163.07555	11.3
165.05455	0.9
165.09093	0.6
166.06270	0.8
166.08649	0.5
167.07048	29.4
168.07486	0.4
171.06572	1.0
173.06020	3.3
175.03986	0.4
175.07570	2.2
176.04657	1.1
177.05479	17.5
177.09079	0.8
178.06033	0.5
179.07050	0.8
179.08542	0.5
181.04976	29.9
181.08571	13.0
187.07510	1.5
189.05432	0.4
190.06203	0.6
191.07037	35.0
192.07544	0.7
193.04933	0.9
193.08614	2.2
195.06508	2.0
201.05424	1.1
203.07022	1.2
205.08516	1.8
207.06483	0.9
207.10191	0.8
209.08096	100.0
210.08415	1.1
217.08537	1.1
219.06419	0.4
219.08356	0.5
219.10098	2.0
231.06505	0.7
233.08003	2.5
235.07590	0.9
235.09680	2.1
244.09639	1.8
245.07968	0.9
252.07748	0.5
257.07831	0.4
263.09195	8.1
267.10178	1.5
279.10226	0.5
281.08041	0.4
285.07532	0.4
285.12238	0.4
293.07867	0.6
307.09631	0.4
325.10712	1.1
339.12238	0.6
355.11847	0.6
357.13303	2.7
359.14722	0.5
367.11731	0.6
369.13757	0.5
371.15030	0.4
385.12912	4.6
387.14545	0.5
389.15985	0.4
399.14291	1.8
417.15424	12.2
442.38055	0.4
489.18536	0.5
509.20529	0.6
581.23529	0.5
594.50806	0.5
609.22900	0.8
612.24731	0.7
615.34882	0.4
689.40649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	3.4
64.59453	1.7
65.03944	4.5
67.05511	88.4
69.03423	6.5
69.07076	28.1
69.25419	1.4
69.55511	6.0
69.55920	3.3
70.06587	3.0
71.04987	6.0
73.06585	1.9
79.05499	71.2
81.03416	7.6
81.07063	85.5
83.04994	8.1
83.08627	16.1
85.02896	6.4
85.06556	3.6
85.78463	1.4
91.05488	51.3
93.07049	73.7
95.04958	8.3
95.08617	54.2
97.02898	5.8
97.06533	12.2
97.10175	12.2
98.20876	3.0
99.04501	2.6
105.04526	2.5
105.07038	47.5
107.04952	5.0
107.07875	3.0
107.08602	47.7
107.48509	1.5
109.06536	7.4
109.10159	25.3
111.08092	4.2
113.09574	1.8
114.60900	1.6
115.05517	1.8
116.07079	2.0
117.07033	19.5
119.08596	28.8
121.06506	3.6
121.10149	26.6
123.08053	4.8
123.11697	8.5
125.09653	9.4
127.03914	5.0
128.06213	1.9
129.07028	7.5
131.08589	26.3
133.10139	27.3
135.08078	5.4
135.11693	19.6
137.09650	3.3
141.07024	2.2
143.08546	7.5
145.10133	24.3
147.08121	2.5
147.11703	19.4
149.09616	10.1
149.13240	10.9
151.11278	2.0
155.08568	3.7
157.10175	7.4
159.11713	18.2
161.09587	2.7
161.13284	6.8
163.11182	3.8
163.14862	4.0
169.10152	3.6
171.10265	1.9
171.11697	5.2
173.11882	2.5
173.13272	10.0
175.11153	1.9
175.14844	3.6
177.12790	2.4
179.14359	3.1
183.11676	3.5
185.13280	5.5
187.14832	3.7
189.11234	4.4
189.12830	1.7
195.13896	2.6
197.13330	3.6
199.14792	1.7
201.16348	3.9
203.14331	2.3
217.15973	1.6
219.13939	1.7
219.17525	3.1
227.12785	12.4
229.14294	3.4
229.19377	2.9
235.16971	2.4
239.18062	3.3
243.21066	2.2
247.20779	2.5
255.15974	8.3
257.19037	10.7
259.20618	2.8
261.22113	10.4
267.15894	2.8
269.17532	21.5
275.20114	37.9
291.19568	1.7
293.21149	4.7
309.20630	4.9
317.24744	2.0
331.22559	4.5
335.25833	100.0
349.23752	46.5
349.81528	1.6
351.25262	1.9
367.24792	6.6
431.31650	2.2
437.25327	1.6
489.35757	6.7
505.35150	5.1
508.35962	2.1
515.37579	9.4
529.38989	20.3
555.39990	1.7
569.42499	3.2
609.45227	56.7
627.46057	9.2
643.64032	1.9
714.18237	1.6
806.53583	1.8
825.52179	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	823.34
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05471	1.0
69.03372	1.5
69.80506	2.2
69.89047	0.5
70.06568	1.3
77.25251	0.5
77.40320	0.5
79.05446	1.7
80.04993	1.0
81.03385	1.2
81.05738	0.7
81.07023	1.0
82.06548	1.4
84.08119	0.7
85.02895	2.7
86.09667	0.5
91.05432	2.0
93.03383	0.5
93.07045	3.9
94.06580	7.4
95.04939	0.7
95.07350	4.7
96.08129	13.6
97.02850	0.8
97.06478	1.8
103.05435	1.0
106.06508	1.4
108.07451	0.8
108.08121	11.4
109.08878	0.8
110.09686	22.7
116.04932	1.4
118.06529	0.8
120.04446	4.4
120.08109	14.9
122.06052	4.8
122.09650	1.1
124.07600	6.8
127.03922	0.6
134.05969	1.2
135.04385	1.3
136.07578	8.8
137.05942	1.2
138.05469	1.8
138.09142	38.4
138.90321	0.5
139.03831	0.6
144.04480	3.8
145.02786	0.7
146.06026	4.8
147.04352	0.9
148.03911	0.7
148.07590	6.8
150.05478	1.4
150.09090	2.2
151.03848	2.0
152.06989	1.4
153.05452	0.9
160.03931	2.2
160.07506	0.7
162.05534	3.0
163.06157	0.6
163.07492	0.7
164.07056	2.0
166.05002	3.3
166.08641	66.5
167.07066	0.7
171.02124	0.6
172.03937	26.5
173.05925	0.6
174.05499	1.1
175.03856	0.7
176.07056	0.9
177.05515	0.9
178.04915	1.4
181.04897	0.6
182.08015	0.6
190.04988	13.1
192.06499	1.2
197.10657	1.3
199.12328	1.1
204.04744	0.9
204.06567	15.7
207.06493	1.4
212.09436	1.9
216.06583	1.1
222.11476	0.8
223.12312	0.7
224.09381	1.1
225.10274	3.7
226.10945	1.2
227.11795	3.2
235.08678	0.8
236.09389	1.9
237.10251	8.5
238.10921	1.6
239.08092	0.8
239.11781	3.1
241.09792	3.3
245.12785	1.5
247.14389	3.3
249.10153	1.6
250.07191	0.7
250.11046	0.7
251.07996	1.0
251.11847	7.0
252.08873	0.9
252.12485	1.0
253.09721	5.7
253.13329	1.4
255.11247	3.0
263.11865	1.4
265.09732	14.6
266.10522	2.3
267.11136	3.2
268.08481	0.8
269.12726	2.6
271.10907	3.3
271.13605	0.5
273.12369	6.6
278.06567	5.1
278.10696	0.8
279.11295	8.9
280.08475	1.3
280.12067	1.0
281.09259	1.5
281.12857	2.5
283.10803	6.2
284.11591	0.9
285.12378	3.0
286.13098	0.7
287.13870	1.3
289.09714	1.0
291.11258	1.1
292.08118	1.3
293.09213	15.2
294.09958	3.6
295.10648	1.9
297.12360	7.5
299.10229	3.0
299.13678	1.1
300.10931	1.6
307.10913	4.7
309.12384	4.2
311.10208	2.1
312.10968	3.4
313.11700	4.5
315.13708	0.6
316.14304	0.7
323.10101	2.7
325.11829	22.3
327.13327	0.9
335.10220	10.5
339.13303	0.8
340.10526	2.4
341.11307	13.7
341.14444	0.5
342.12231	0.6
343.13065	1.7
353.11267	15.5
355.13052	0.6
357.14468	7.3
367.12820	0.7
370.15359	0.7
373.13947	11.4
378.18625	0.5
380.14072	0.8
384.13562	0.8
385.13947	4.8
390.17966	0.8
398.14758	1.7
399.15848	2.0
400.16296	0.8
404.16110	0.9
406.17664	1.1
416.15845	1.2
418.17560	0.6
428.16086	0.7
430.17868	0.7
432.19241	1.0
436.18704	0.7
437.19318	0.7
442.17682	0.6
446.16885	1.4
458.17197	2.7
460.18787	3.1
462.20236	1.1
464.18445	1.0
465.18942	7.2
478.19778	4.8
487.17163	2.2
488.18320	4.5
506.19250	100.0
507.01886	0.7
507.19543	3.2
510.22366	2.0
520.20850	2.0
538.21869	76.1
539.22247	2.7
611.24921	10.5
643.27808	2.6
683.26917	1.2
773.30103	3.1
809.60016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.8
57.07079	2.8
65.03944	2.6
67.05177	2.9
67.05513	37.4
69.07079	26.0
71.04961	2.7
71.52179	1.7
71.52630	1.9
72.79655	1.9
79.05079	3.2
79.05500	38.0
81.03403	6.0
81.07066	44.7
83.04990	4.5
83.08614	7.4
83.34854	1.9
85.06551	2.1
89.34883	1.7
91.05492	60.8
93.06490	3.2
93.07051	45.5
95.01323	5.6
95.04952	6.9
95.08067	2.5
95.08617	32.5
95.49117	1.8
97.06534	18.9
97.10150	4.5
99.08149	1.7
102.30135	1.8
103.05466	3.2
105.04574	1.8
105.07046	76.3
107.04958	14.5
107.08612	20.2
109.06522	2.7
109.10150	8.4
111.08109	2.7
116.06310	1.7
117.07030	17.4
119.08595	44.7
121.06512	2.9
121.10117	11.3
123.08064	3.5
123.11672	1.8
125.09622	2.7
129.07001	5.8
131.08559	26.0
133.10149	45.3
135.08032	3.5
135.11694	11.4
137.09631	2.6
143.08557	5.0
145.10158	17.2
147.11707	21.9
149.09624	6.1
149.13237	5.7
151.11200	2.3
157.10141	6.7
159.11719	15.1
161.13222	13.9
163.11145	4.2
163.14743	1.7
165.12852	2.2
169.10156	3.8
171.11684	8.1
173.13278	6.0
175.14848	4.8
177.12782	6.3
179.14359	8.2
183.11703	3.7
185.13249	3.0
187.11214	4.5
199.14949	2.1
231.21059	2.7
239.17842	1.7
241.19589	13.0
257.18997	7.1
259.20572	26.9
275.20087	47.9
277.21732	2.1
293.20895	3.4
315.23257	7.8
320.47662	1.9
333.20453	3.2
333.24286	52.1
349.19830	3.0
349.23804	45.7
363.08643	1.8
533.39838	2.6
607.43610	100.0
608.43646	4.3
625.44476	11.6
625.53204	2.1
822.45941	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	822.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	8.8
57.07076	3.1
60.58448	2.5
65.03939	3.5
65.31933	2.2
67.05515	85.2
69.03418	6.5
69.07079	21.7
69.32845	2.6
70.06602	3.0
71.04990	5.6
71.26294	3.2
71.46065	2.6
79.05076	3.9
79.05505	58.1
81.03403	10.5
81.06591	5.1
81.07066	77.1
83.04986	24.2
83.08627	8.7
86.09693	7.0
91.05489	53.4
93.07058	65.7
95.04958	10.6
95.08615	47.6
97.06533	5.7
97.10163	7.7
105.07040	54.9
107.04945	7.5
107.08612	43.4
108.75928	2.2
109.02892	3.4
109.06559	11.7
109.10171	49.7
111.08096	4.1
113.05975	2.8
117.07053	13.8
119.08601	24.2
121.06513	8.1
121.10146	17.7
123.08067	7.7
123.11727	9.4
125.00001	5.8
125.09641	5.1
127.07565	3.4
129.07036	6.3
131.08591	16.0
133.06508	5.0
133.10147	51.6
135.08047	8.8
135.11699	9.0
137.09650	5.4
143.08571	4.7
145.10088	11.3
147.08040	5.4
147.11696	9.1
149.09619	3.5
149.13263	5.8
151.11221	22.8
157.10210	5.7
159.08081	5.1
159.11613	5.5
161.09651	8.1
161.13269	7.6
163.11237	3.2
164.95313	2.3
169.12282	3.9
171.11757	3.0
173.13214	3.2
175.11214	3.6
175.14828	2.6
184.07324	18.4
185.13464	2.5
227.18042	2.7
232.33344	2.5
245.19086	4.1
253.14388	70.6
255.17593	4.5
259.20731	3.9
261.22171	9.3
263.20132	3.9
273.18567	28.3
275.19989	2.7
291.19589	38.4
309.20676	4.0
335.25833	78.4
347.22168	8.7
365.23245	60.0
513.35645	7.3
531.36707	13.8
590.35651	3.0
607.44238	12.7
625.44611	100.0
626.44934	3.7
816.82275	2.8
822.49719	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	819.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
85.72279	0.7
90.44242	0.7
91.37853	0.8
95.13383	0.8
110.46986	0.7
134.22252	0.8
151.07600	0.9
154.90767	0.8
173.02155	1.0
174.02843	0.8
187.22258	0.8
261.96823	0.7
279.07349	0.8
320.70584	0.8
335.09027	1.0
363.08411	1.2
364.09195	2.4
365.10089	2.4
366.10989	1.0
385.57263	0.8
397.56931	0.8
407.11145	3.5
409.12610	6.1
423.37274	0.9
433.16641	2.0
616.21063	1.0
627.18304	1.9
721.22882	1.5
749.22388	1.3
750.22858	21.9
751.23480	6.7
819.29907	100.0
820.30347	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	820.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
76.49016	17.5
79.05500	26.1
81.07048	33.7
93.07062	31.8
98.62646	15.1
108.36131	15.5
109.10078	19.6
115.71165	19.2
192.64656	15.1
248.98613	17.4
253.54745	18.8
261.22137	26.1
335.25790	100.0
419.50049	17.8
619.57355	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	822.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	17.0
57.07087	1.7
59.05006	10.6
60.17321	1.2
61.02929	3.1
65.03949	3.1
65.79405	1.3
65.80120	1.2
67.05513	100.0
69.03441	11.7
69.07075	41.4
69.76714	3.9
69.77124	3.0
71.01359	2.8
71.04993	10.0
79.05499	51.3
81.03428	71.7
81.07066	64.7
83.05000	13.6
83.08635	24.4
85.02914	7.8
85.06560	6.4
87.04471	6.9
91.05488	54.8
93.07055	49.4
95.04980	31.3
95.08614	35.0
97.02898	7.5
97.06549	14.8
97.10177	14.8
99.04490	6.3
99.08105	2.7
103.03936	1.6
103.05486	1.8
105.07042	41.1
107.04964	16.9
107.08607	30.6
109.06535	7.6
109.10163	52.9
111.04436	3.5
111.08078	10.3
113.05956	1.5
115.05478	2.5
117.07039	13.7
119.08585	34.2
121.06512	9.3
121.10156	22.2
123.04497	2.3
123.08085	5.7
123.11720	3.5
125.09639	10.4
127.03878	2.5
129.05513	1.7
129.07021	15.1
131.04939	1.4
131.08586	23.0
133.06512	4.9
133.10143	18.4
135.08083	5.6
135.11723	11.3
137.09607	12.6
139.11223	1.6
141.07030	1.9
142.07829	3.0
143.08563	6.1
145.06519	4.5
145.10152	16.3
147.08026	6.5
147.11679	15.6
149.09634	20.6
149.13275	4.3
151.07462	1.9
151.11209	3.7
151.35164	1.2
153.09149	1.5
153.12782	1.9
155.08606	4.0
155.10664	3.5
157.10150	13.3
159.08049	2.4
159.11711	8.4
161.09692	3.3
161.13271	3.5
163.07613	1.6
163.11191	13.1
165.09146	2.1
165.12807	2.2
167.10770	2.3
169.10092	3.2
171.10286	1.7
171.11761	3.8
173.09659	2.0
173.10342	1.3
173.11769	14.7
173.13306	4.8
175.11185	11.0
177.12683	2.4
181.12260	3.7
183.11717	2.1
185.09689	1.7
185.13318	3.4
189.09177	1.7
189.11223	4.4
189.12802	2.2
191.10683	2.4
193.12254	27.7
195.11763	1.6
195.13782	3.1
197.13260	1.6
199.13351	4.9
203.10719	1.4
205.12256	2.0
211.11343	1.8
211.13301	4.1
223.13284	3.6
225.14888	5.4
227.12775	12.1
229.14374	45.7
229.19501	1.9
239.17963	2.4
241.14368	1.5
243.15926	1.9
247.20810	1.3
249.14920	5.2
255.16034	4.5
257.19064	2.9
259.15488	3.0
267.15939	64.7
269.17456	7.9
273.14838	1.8
273.18567	2.6
273.83548	1.5
275.20129	16.0
283.15527	3.2
291.19608	5.3
309.16846	1.5
313.21667	1.6
315.17975	2.9
329.21118	2.3
349.23834	17.5
355.22620	2.1
365.23334	2.1
367.24615	1.9
383.24222	3.4
403.24664	3.1
409.25824	3.8
421.25903	26.2
422.26706	1.5
423.27545	11.4
429.26392	2.1
435.27411	4.7
445.29498	2.5
447.27493	20.5
459.26593	1.8
461.28909	3.7
463.31427	1.8
503.33563	4.6
509.31155	3.1
534.42999	1.4
541.27063	1.9
541.35352	33.5
542.35913	2.3
545.38287	1.9
557.34955	2.7
559.36292	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	816.323
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36668	0.8
69.07078	4.5
71.25639	1.1
71.25961	1.0
79.05486	1.1
81.03419	3.2
83.04983	2.5
85.02910	1.0
86.09710	1.0
91.05473	2.3
93.03389	0.9
94.04199	1.7
96.14175	0.8
103.05483	3.4
107.04954	2.6
109.02895	2.1
111.04454	1.4
115.05464	12.6
117.07021	5.0
118.29910	0.8
119.04970	1.4
122.03644	3.7
123.04437	3.1
128.06200	4.0
129.07019	22.3
131.04938	7.7
135.04417	17.5
137.02350	3.6
137.05988	61.2
139.04042	0.9
139.05443	1.9
141.06952	0.9
143.04936	5.8
144.05637	1.4
145.06493	4.2
147.04434	1.3
149.02361	3.4
149.05978	1.9
151.03931	4.2
151.07489	0.9
152.83429	0.9
153.06963	2.5
155.04938	1.1
155.08664	0.9
157.06493	20.5
159.04430	5.2
160.05167	4.0
161.06006	9.9
163.03893	2.7
163.07550	1.5
165.05544	0.8
165.07010	2.6
167.04903	1.7
169.06543	2.1
171.04398	1.0
172.05232	2.2
173.06000	100.0
174.06660	1.0
175.03915	1.1
175.07541	17.8
178.07794	1.1
181.06511	4.2
184.07475	0.9
185.06009	26.5
186.06825	4.6
187.07556	27.2
189.05502	1.6
189.07147	1.4
189.09099	5.3
191.03319	1.0
191.08585	1.6
193.04947	2.1
193.06534	1.5
195.08005	1.0
197.06004	9.1
199.07536	6.2
201.05453	3.8
203.07071	3.6
205.06508	2.2
205.08604	4.8
206.07430	1.1
207.08096	2.4
209.05991	2.8
210.06679	0.8
211.07542	5.0
213.05496	3.0
213.09212	1.0
215.07048	31.5
217.06651	1.3
217.08574	2.1
219.08096	3.3
222.06787	1.1
223.07558	6.2
223.09410	0.9
225.05524	7.8
227.07048	3.6
229.04883	1.3
233.05948	1.2
233.08064	10.4
235.07544	6.2
235.09726	2.2
236.08273	1.2
237.05516	1.8
237.09154	2.2
238.06264	1.9
239.07051	8.3
241.04880	1.4
241.08615	1.3
247.07616	7.4
248.08366	1.4
249.05342	1.9
249.09152	2.8
251.07109	4.0
253.04939	2.8
253.08759	1.6
255.06525	4.6
261.09186	1.4
263.07031	7.3
264.07870	2.0
265.08502	4.0
267.06555	3.4
269.08182	1.5
275.07080	8.2
276.07748	1.7
277.08539	3.5
279.06555	2.2
279.10010	0.9
281.08112	1.7
283.09744	1.3
287.07034	1.6
289.08414	1.1
291.06482	3.6
291.09805	1.2
292.07178	2.0
293.08102	6.0
295.09647	3.2
297.07498	2.2
303.06604	2.3
304.07306	4.3
305.08200	4.4
307.09744	3.3
309.07611	2.0
309.11017	1.4
317.08075	1.7
321.07675	4.2
322.08435	1.4
323.09189	2.4
325.10745	2.2
327.12012	1.0
334.08298	1.2
335.09323	2.0
339.08591	2.9
351.08640	3.4
353.10120	2.6
369.09698	1.4
403.11536	1.0
445.12860	1.0
451.11517	1.3
461.12277	1.6
463.11865	1.9
465.12463	1.1
469.12531	1.1
481.13211	2.2
491.13422	1.3
493.12714	1.2
499.13940	1.8
505.14532	2.4
511.13791	3.3
529.14453	1.5
535.16357	1.2
541.14697	5.4
559.15717	2.4
571.17151	0.9
587.16638	1.0
589.18195	1.6
599.16956	1.8
601.18158	1.8
605.17987	1.3
607.18115	2.3
617.17773	3.0
619.19641	1.6
629.17773	2.3
635.18677	3.5
647.19293	5.0
665.19861	4.6
677.19507	3.5
683.21490	1.4
695.21283	7.4
713.22473	5.7
717.35400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
65.57735	1.4
65.79458	1.4
69.07084	1.9
71.52766	2.1
79.05470	1.4
81.03416	3.7
86.09694	1.7
91.05477	1.5
94.73360	1.6
103.05470	4.4
115.05492	8.7
117.07030	5.3
122.03661	2.7
123.04430	2.3
128.06226	5.3
129.07025	21.5
131.04929	6.8
131.08496	1.7
135.04434	26.1
137.02377	2.1
137.05989	39.6
141.07045	2.6
143.04987	6.5
145.06502	9.3
147.04485	2.1
149.02335	3.4
151.03903	4.4
153.06940	1.7
156.05659	1.9
157.06500	23.0
159.04443	3.1
160.05176	3.8
161.06007	8.8
163.03876	3.0
165.06906	1.8
167.04868	1.6
169.06493	3.7
171.04434	2.6
172.05223	1.4
173.06001	100.0
175.03932	3.8
175.07576	11.7
177.09244	1.5
181.06433	2.3
185.05971	15.6
186.06749	7.9
187.07559	24.8
189.06996	1.6
189.09102	6.4
191.03444	1.6
191.08612	2.2
197.05997	8.3
199.07571	4.4
201.05513	2.4
203.07031	12.5
205.08598	2.7
211.07571	3.5
213.05460	2.4
215.07037	28.8
219.08067	3.6
223.07527	3.9
225.05391	2.9
229.04945	1.9
233.08112	26.3
235.07556	4.3
237.05502	1.8
237.09196	1.9
239.07053	2.7
246.06689	1.8
247.07635	5.9
249.09323	3.2
251.06978	2.6
255.06499	2.7
263.07065	7.6
265.08636	2.9
275.07028	6.5
277.08725	3.5
279.10056	2.4
291.06503	3.9
292.07397	1.7
293.08014	2.9
295.09616	2.0
297.07587	1.4
304.07297	3.2
305.08066	5.1
307.09561	2.3
321.07550	5.6
322.54654	1.6
323.09134	2.4
325.10797	1.7
335.09125	5.0
351.08792	2.3
352.09491	4.0
353.10095	5.5
481.13071	1.8
489.11249	1.4
493.12848	2.2
501.41400	1.5
541.14728	2.1
589.17938	2.8
599.16357	1.9
611.98193	1.8
617.18030	5.8
629.17596	2.9
635.18726	4.2
647.18842	4.9
665.19629	7.1
677.19299	1.8
695.21130	6.5
713.21735	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	816.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	0.6
61.35628	0.5
62.38816	0.6
65.03925	1.4
65.23250	0.5
67.05497	0.9
69.03424	0.6
69.07082	3.2
74.09698	0.5
77.03913	0.7
79.05477	1.6
81.03420	4.1
81.07040	1.1
83.04984	1.3
85.02888	0.5
86.09716	1.0
91.05488	2.6
91.07465	0.7
93.03401	1.0
94.04192	1.8
95.05000	0.6
97.02903	0.7
102.04710	0.7
103.05478	4.2
105.03377	0.8
105.07072	1.0
107.01369	0.7
107.04952	1.7
109.02879	1.5
109.06542	1.0
111.04435	1.3
113.02399	1.0
115.05458	12.6
117.07037	5.6
119.04976	0.6
121.02838	0.8
121.06488	0.6
122.03660	3.8
123.04436	3.6
124.05270	0.7
125.02366	1.1
128.06273	3.8
129.07018	18.8
131.04935	7.9
133.02843	1.2
133.06424	0.6
135.04419	16.7
137.02415	3.4
137.05989	60.5
138.03119	0.8
138.06317	0.6
139.03955	1.0
139.05432	1.1
141.06996	1.8
143.04951	6.3
144.05701	1.6
145.06517	5.8
146.07269	0.7
147.04405	2.4
149.02339	3.3
149.05917	0.7
151.03932	3.7
151.04988	0.8
151.07535	1.8
152.06256	0.8
153.01880	0.7
153.05432	1.0
153.06989	1.1
155.04921	1.2
155.06079	1.2
157.05226	1.2
157.06497	23.2
158.07133	1.0
159.04431	5.1
159.08133	0.7
160.05202	5.1
160.08765	0.8
161.06009	10.6
163.03935	3.1
163.07558	2.0
165.05653	1.0
165.07014	2.3
167.04938	1.8
167.08464	1.0
169.06493	2.0
171.04428	1.9
172.05186	3.1
173.05995	100.0
174.06673	2.9
175.03975	1.1
175.07567	18.3
175.09055	1.2
177.05510	0.8
177.08937	0.8
179.03381	0.7
179.08583	1.6
181.04997	1.0
181.06476	5.1
183.08130	0.8
185.05998	27.4
186.06779	4.3
187.04002	0.8
187.07553	26.8
188.08185	1.3
189.05481	2.0
189.07045	2.3
189.09114	7.4
190.09460	1.1
191.08524	1.3
191.10686	0.9
192.11032	1.0
193.04994	1.5
193.06558	1.2
194.07140	0.5
195.07999	1.1
197.06007	7.1
198.06700	1.2
199.03900	0.8
199.07564	6.2
201.05464	4.6
201.09158	1.2
203.07040	3.5
203.08615	0.9
205.06548	2.2
205.08647	5.2
206.07234	0.9
207.08072	2.3
208.09009	0.7
209.06062	3.7
209.09665	0.6
210.06761	1.0
211.07579	5.3
213.05539	2.5
213.09125	1.3
215.07034	27.1
217.04788	0.9
217.06631	1.2
217.08409	3.1
218.07175	1.0
219.08072	3.5
219.10146	1.7
220.08528	0.8
220.10571	1.4
221.05966	1.3
222.06776	1.7
223.07544	5.4
224.08308	1.6
225.05463	7.6
225.09061	1.0
226.06268	0.8
227.07048	2.8
229.04948	2.1
231.06432	1.2
233.05971	1.5
233.08028	8.7
234.06779	1.1
235.07552	5.1
235.09724	1.9
236.08275	1.0
237.05423	2.0
237.09157	2.7
238.06322	1.7
239.07031	6.8
241.05177	0.6
241.08646	2.2
246.06870	1.3
247.07608	8.5
248.08377	1.5
249.05440	1.2
249.09229	2.7
251.06975	4.1
251.10664	0.9
253.04955	2.1
253.08585	1.9
254.05824	0.6
255.06516	5.0
256.07297	0.6
259.07480	1.8
260.08414	0.9
261.09177	1.0
262.06476	0.8
263.07050	5.3
264.07800	2.4
265.08566	2.7
266.09146	0.9
267.06628	2.8
267.09671	0.7
269.07880	1.1
273.05478	0.6
274.06299	0.9
275.07104	7.8
276.07861	1.7
277.05862	0.7
277.08594	4.2
279.06589	2.0
279.10175	2.5
280.07150	0.6
280.10529	1.1
281.08081	1.6
281.11121	0.6
283.06104	1.3
283.09573	0.9
283.13113	0.6
287.06985	1.5
289.08664	1.3
291.06528	3.6
291.10175	2.0
292.07330	1.5
293.08124	5.9
294.08994	1.4
295.09677	2.7
297.07562	2.3
297.11166	1.5
301.07260	0.6
303.06503	2.4
304.07394	4.3
305.08118	5.6
307.06372	0.7
307.09628	3.7
308.10162	0.9
309.07596	1.7
309.11179	1.5
311.09262	1.0
317.08121	1.6
319.09845	0.9
321.07596	4.4
321.10977	0.9
322.08337	1.5
323.09140	3.5
325.10785	0.7
327.12302	1.0
333.07681	1.1
334.08276	0.7
335.09076	3.0
339.08557	3.0
339.12219	0.7
343.11511	0.6
351.08560	2.7
352.09604	0.8
353.10165	2.0
355.11975	1.2
357.09158	0.7
367.09668	0.6
369.09781	1.8
385.10965	0.7
417.11697	0.6
429.13004	0.7
431.11551	0.9
433.11978	1.0
435.12354	1.1
443.11169	0.6
445.13052	0.8
447.12607	0.7
451.12140	1.7
457.12744	0.6
461.12247	1.3
463.12436	2.0
469.12711	0.9
475.13406	0.8
477.14197	0.7
479.13486	0.6
481.12982	1.9
487.13791	1.3
491.13461	1.2
493.12973	1.9
499.13754	1.3
505.14990	2.2
511.13971	3.6
523.13837	0.9
529.15143	1.6
535.16364	1.1
541.15295	4.6
559.16095	3.3
571.16522	0.9
587.16864	1.0
589.17963	1.3
599.16815	1.3
601.18689	1.1
605.18616	0.9
607.18994	1.3
617.18146	4.6
619.19318	1.6
619.29590	0.7
629.17828	2.2
635.19275	3.8
647.18903	4.6
649.20575	1.0
653.20306	0.9
665.20392	5.5
677.20001	3.2
683.22052	3.0
695.21271	8.3
713.22351	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	815.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	2.7
68.99784	1.2
69.07059	3.7
71.52570	1.2
79.05495	1.6
81.03419	14.5
83.04979	2.3
91.05467	4.1
92.05142	0.9
93.07067	1.0
95.04952	3.7
95.08636	1.4
97.02872	3.5
103.05477	1.8
105.03421	1.0
105.07045	1.8
107.04954	4.5
108.05691	1.4
109.02880	1.5
111.04475	2.4
115.05444	3.4
116.06265	1.3
117.07028	2.2
121.06526	2.1
122.03658	2.9
123.04439	10.5
125.02358	9.3
128.06213	4.9
129.06981	4.9
131.04936	3.2
131.08565	1.2
133.06491	2.3
134.03766	1.0
135.04419	4.0
136.05196	3.3
137.02361	2.2
137.05984	45.6
139.04001	1.2
141.07011	1.5
143.04938	2.1
143.08531	1.4
144.05692	3.4
145.06499	14.2
146.07288	3.8
149.02388	1.8
149.05975	1.0
151.03961	6.0
151.07555	100.0
152.88370	1.1
153.07065	1.3
155.03398	10.3
157.06471	8.0
158.07292	6.7
159.04431	1.9
159.08057	10.5
160.05211	2.7
160.08885	3.1
161.06009	8.2
162.06770	1.1
163.03937	2.3
163.07521	1.8
165.05493	3.7
165.07010	1.2
167.03445	5.4
169.06453	1.3
171.08069	5.0
172.08852	14.1
173.05960	8.0
173.09659	1.3
174.06769	11.2
175.03914	2.0
175.07529	13.4
176.08331	14.4
177.09145	7.1
179.03360	1.3
179.08531	1.5
181.06520	2.5
182.07335	1.7
183.02928	1.3
183.07948	2.2
184.07373	1.4
184.08969	1.4
185.05968	1.9
186.06735	1.6
187.07542	11.5
188.08342	20.0
189.09119	92.9
190.09668	1.1
191.03383	1.7
191.06996	1.7
191.10710	5.8
195.08115	3.3
196.08839	7.7
197.05989	2.0
197.09660	1.6
199.07518	2.6
199.11281	1.2
200.08340	3.5
201.05455	1.8
201.09100	19.0
202.08185	1.7
202.09914	10.9
203.07016	2.2
203.10684	30.9
204.11400	1.1
205.05026	1.1
205.08617	6.2
205.12199	2.9
207.08008	1.2
208.08723	1.2
209.04434	1.8
209.09621	2.2
210.10358	1.2
211.07616	2.4
211.11116	1.5
212.08350	3.7
213.09151	10.4
215.10654	4.1
216.07872	2.3
217.08559	5.0
217.83080	1.1
218.09549	1.3
219.08148	2.0
219.10146	19.6
219.13618	2.4
221.08038	1.1
221.11716	1.1
224.08383	1.5
225.09137	2.7
226.09961	2.9
227.10716	10.5
229.08607	3.1
229.12257	2.3
231.10159	41.9
231.13651	1.6
232.10962	1.3
237.09155	1.3
238.09810	2.5
239.10649	4.1
241.12173	2.6
242.13031	1.2
243.10101	1.8
243.13777	2.9
247.07549	2.4
247.09763	1.9
248.08324	1.7
249.08806	2.5
249.11235	28.2
251.10692	2.0
252.11513	1.2
253.12253	2.6
255.10228	1.4
255.13814	1.8
257.11624	1.6
257.15421	2.0
263.06961	1.3
263.10583	2.1
265.12289	2.3
267.10074	2.0
267.13718	1.3
269.11826	1.8
270.12531	1.5
271.09689	1.2
271.16806	1.7
275.07083	1.6
277.08405	1.4
278.09473	2.0
279.10107	2.6
281.11752	3.2
283.13342	1.3
287.16287	1.3
291.10165	2.5
293.11716	2.0
295.09735	1.8
297.11243	1.4
299.16394	2.2
303.10245	1.3
306.08957	1.2
307.09613	1.6
309.11267	7.8
311.12933	2.4
317.17618	1.5
325.10733	1.8
327.12360	2.3
333.15115	1.1
337.10602	4.6
339.12296	3.8
355.11731	6.4
357.13379	11.8
367.11743	2.6
377.17447	1.3
385.12775	18.5
395.18698	2.2
419.19220	1.1
539.17401	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
64.52950	0.3
65.03964	0.7
67.05502	0.4
68.99799	0.8
69.03440	0.6
69.07082	1.0
77.03944	0.4
79.05510	1.3
81.03429	6.9
81.07058	0.5
83.04996	1.3
85.02924	0.6
91.05488	2.1
93.07070	0.7
94.04180	1.5
95.04962	0.6
97.02909	1.7
98.20732	0.7
103.05491	1.3
104.06290	0.3
105.03394	0.7
105.07053	1.0
105.16269	0.3
107.04979	1.2
107.08643	0.5
109.02888	0.7
109.06513	0.4
111.04457	0.9
115.05473	2.9
117.07054	2.9
121.02901	0.5
121.06532	1.2
122.03680	3.2
122.25247	0.3
123.04514	0.3
125.02375	5.0
128.06224	3.0
129.07022	9.2
131.04959	2.6
131.08569	0.5
131.72629	0.3
132.05717	0.7
133.06560	0.5
135.04431	2.6
137.05995	100.0
138.06320	0.7
139.03912	0.5
139.05472	0.8
141.06985	1.0
143.04942	3.9
143.08578	1.3
144.05707	1.3
145.06500	4.5
146.03651	0.5
147.04466	0.7
147.08014	0.6
149.02319	0.5
151.03952	4.5
151.05107	0.5
151.07591	1.0
152.06213	0.7
153.07021	3.1
155.03432	6.6
155.04758	0.6
155.06055	0.6
156.05736	1.3
157.06512	12.3
157.10022	0.3
158.07237	0.5
159.04492	0.6
159.08116	0.7
160.05215	8.3
161.05983	2.4
162.06789	1.3
163.03976	0.5
163.07562	1.7
165.05496	0.6
165.06923	0.6
167.03413	1.0
167.04886	0.4
167.08601	0.7
168.05702	0.4
169.06441	0.7
171.04451	0.4
171.08069	1.6
172.05231	1.1
173.05975	3.8
174.06813	3.7
175.04071	0.9
175.07567	44.2
177.05547	0.3
177.09085	1.4
178.07780	0.5
179.03471	0.4
179.08643	0.8
180.34441	0.3
181.04985	0.4
181.06488	6.8
184.05273	0.7
184.07178	0.3
185.05977	3.4
187.07570	8.9
188.08333	3.3
189.05505	1.1
189.07259	0.4
189.09123	8.6
190.07889	0.4
191.03395	0.4
191.07069	0.7
191.08597	1.3
193.06462	0.5
195.08076	1.1
197.05951	0.9
198.06740	0.3
199.07579	4.3
200.08279	0.5
201.05449	0.6
201.09143	1.2
202.06187	0.6
203.06984	1.5
203.10590	0.6
205.08629	14.6
206.07257	0.4
207.08081	1.3
207.10092	0.5
209.05963	0.4
210.06718	0.4
210.15001	0.3
211.07515	1.4
212.08360	1.4
213.09128	3.2
215.06984	0.7
217.06557	1.0
217.08603	15.9
218.07166	0.5
218.09021	0.4
219.06282	0.5
219.08247	1.9
219.83939	0.3
221.05948	0.5
223.07584	0.5
224.08295	0.5
225.09158	1.0
227.10699	0.7
229.08521	0.6
231.08160	0.4
233.08054	0.6
234.06795	0.6
235.07559	1.3
235.09674	10.2
236.08215	0.5
237.09128	0.8
238.10083	0.4
239.06819	0.4
239.10703	0.8
241.08537	0.9
243.13933	0.5
247.07552	0.6
249.09221	1.6
251.06998	0.3
251.10687	1.1
253.08562	0.7
255.10258	0.9
256.10986	0.7
261.08911	0.4
263.07040	0.7
265.08646	0.5
267.10107	1.2
267.13794	0.4
269.08209	0.4
269.11633	0.3
271.09680	0.4
277.08606	1.2
279.10114	1.0
281.08075	0.6
291.10114	0.7
293.07980	0.4
295.09705	4.4
297.11218	1.1
305.08173	0.5
307.09674	0.5
309.11401	0.5
311.09012	0.7
311.12589	0.5
313.10535	0.4
323.09119	2.0
323.12769	0.7
325.10526	1.0
341.10031	1.5
341.13705	0.6
343.07977	0.4
343.11819	4.9
353.10205	0.9
357.13385	1.5
371.11279	2.4
389.12302	0.7
405.55215	0.3
457.79605	0.3
558.63013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.1
66.88029	0.7
67.05510	1.3
68.99809	0.8
69.03425	1.0
69.07079	5.6
79.05494	3.3
81.03001	0.8
81.03432	12.1
81.07043	1.9
83.04990	5.7
86.34244	0.9
91.05489	5.5
94.04185	0.8
95.04978	2.5
95.69704	0.7
97.02897	2.5
98.47701	0.8
103.05453	2.8
105.03423	1.0
105.07034	2.8
106.04175	0.8
107.04975	4.6
107.08631	1.1
108.05730	1.5
109.02891	2.3
109.06542	0.9
113.06071	1.0
115.05466	4.9
117.07050	4.0
119.04955	1.0
119.08558	0.9
121.02871	1.9
121.06498	3.9
122.03677	1.7
123.04451	14.2
123.37463	0.7
125.02366	3.9
128.06242	5.0
128.85338	0.8
129.07021	8.8
130.07800	1.0
131.04945	7.6
131.08563	2.3
132.05698	1.1
133.02942	0.9
133.06505	1.5
135.04439	6.4
136.05157	3.2
137.02345	2.5
137.05997	16.1
138.03157	1.1
138.06783	1.4
141.07008	3.1
143.04932	2.2
143.08572	3.6
144.05679	2.9
145.06502	22.7
145.10132	2.1
146.07288	5.7
147.04402	2.9
147.08093	1.8
149.02388	1.4
149.05981	4.6
151.03935	4.9
151.07561	86.1
152.07898	1.6
153.01761	1.1
153.06895	1.1
155.03413	4.6
155.06023	1.2
155.08543	0.9
156.05716	2.1
157.06490	9.5
158.07289	8.8
159.04413	3.2
159.08072	14.6
160.05179	3.9
160.08859	8.0
161.06030	8.3
161.09598	1.2
162.06773	2.0
163.03918	3.4
163.07587	5.1
165.01796	2.7
165.05487	9.9
165.06931	2.4
165.09120	2.4
167.03403	1.7
167.08546	1.0
169.06482	3.9
171.08081	7.6
172.08844	17.3
173.05997	11.2
173.09665	5.3
174.06808	9.8
174.10474	1.1
175.03967	4.2
175.07561	14.0
176.08330	7.2
177.05629	0.9
177.09122	14.7
179.03424	0.9
179.06985	3.5
179.08551	1.8
179.10478	0.9
181.06522	3.1
182.07253	1.9
183.08022	3.0
184.08852	3.1
185.06003	2.4
185.09593	1.4
186.06755	3.4
187.07574	14.8
187.11150	2.8
188.08345	23.2
188.11972	1.4
189.05482	2.2
189.09126	100.0
190.09746	3.1
191.03401	3.4
191.07114	1.9
191.10689	24.2
192.04178	1.5
195.08049	4.1
196.08838	3.4
197.05960	1.9
197.09644	3.0
198.06755	1.7
198.10359	1.2
199.07613	6.0
199.11157	1.1
200.08391	5.8
201.05421	1.8
201.09123	30.5
202.09894	12.4
203.07213	1.9
203.10687	49.5
204.07758	1.5
204.11371	1.8
205.06813	1.3
205.08627	3.3
205.12259	15.8
207.08104	1.6
208.08884	1.4
209.09581	3.6
210.10324	1.4
211.07491	4.2
211.11122	1.5
212.08307	3.2
212.11935	2.8
213.09103	12.0
214.09941	2.9
215.07126	1.9
215.10681	13.1
216.07890	2.7
216.11411	1.5
217.08667	4.0
217.12294	4.9
218.09306	1.8
219.08167	2.3
219.10185	27.0
219.13661	8.1
221.09770	1.5
221.11707	2.1
223.07556	2.3
223.11230	3.7
224.08324	2.8
225.05421	1.3
225.09145	3.9
225.12723	1.8
226.09891	2.1
227.10664	5.1
228.07893	1.2
228.11391	4.4
229.04944	2.1
229.08588	7.7
229.12253	5.8
231.08440	1.5
231.10197	36.0
231.13881	2.3
232.08669	1.3
232.10707	2.0
233.09657	1.3
233.11774	2.0
234.10367	1.5
235.07578	2.0
235.11261	1.8
236.08301	2.2
237.08997	1.4
238.09798	1.8
239.07037	2.2
239.10698	6.6
240.08078	0.8
240.11363	1.8
241.08629	3.9
241.12173	4.2
242.12906	1.5
243.10112	2.3
243.13844	13.2
244.14456	1.2
245.11845	0.9
245.15367	1.8
247.07582	2.0
247.09642	1.9
248.08330	1.6
249.09178	2.0
249.11259	39.0
251.06990	1.3
251.10667	2.7
253.08597	2.1
253.12276	2.7
254.09448	1.1
254.13057	1.4
255.10228	2.1
255.13832	8.8
256.14539	1.3
257.11804	1.4
257.15393	12.0
261.11414	3.8
262.09961	1.1
263.06940	2.2
263.10641	3.2
265.08731	1.4
265.12137	1.6
267.10193	3.7
267.13644	2.1
269.08090	2.9
269.15390	3.3
271.16943	8.8
273.14856	1.2
275.07169	1.4
276.07938	1.5
277.08560	2.3
278.09317	1.8
279.06973	1.0
279.10065	4.2
280.10861	1.7
281.08231	1.5
281.11905	1.1
281.15326	3.0
283.09692	1.4
285.14899	7.6
287.16473	2.8
289.08554	2.7
289.17838	1.4
290.09396	1.7
291.07220	1.0
291.10214	4.5
292.07593	1.4
292.10864	1.3
293.08041	2.3
293.11697	1.9
295.09662	2.4
299.16394	9.8
303.10266	1.3
303.15771	1.4
305.08246	1.6
305.11719	1.4
306.08774	1.0
307.09665	5.7
309.07922	1.2
309.11169	3.4
311.12680	0.9
317.17532	8.9
319.09692	2.3
320.10403	1.3
321.11243	5.9
323.09171	1.6
323.12598	5.7
325.10730	1.1
333.11227	1.3
337.10779	4.8
339.12170	2.0
349.10608	1.8
350.11310	1.4
351.12161	4.6
355.11865	1.9
363.15732	2.4
367.11740	3.3
368.12631	3.8
369.13440	5.6
375.15891	1.7
377.17426	1.2
385.12860	2.1
437.19699	1.1
442.86893	0.9
459.14703	1.0
497.15634	1.7
509.15262	1.4
527.17426	1.2
549.19830	1.0
557.17737	1.7
565.20569	4.3
657.21100	1.2
673.28369	0.9
675.22229	2.6
683.26276	2.2
693.23309	1.2
701.26825	3.0
713.27216	1.1
723.24371	1.2
731.28790	3.8
749.29120	3.3
761.29358	3.6
767.29852	1.3
779.30493	6.0
797.31592	6.8
815.32721	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	815.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	1.7
67.05500	1.6
68.99776	1.0
69.03413	1.6
69.07081	6.3
79.05510	2.8
79.31710	0.9
80.06293	1.5
81.03419	8.2
81.07065	2.2
83.04981	5.0
91.05485	6.4
93.03371	1.1
93.07059	1.0
94.04182	1.3
95.04973	3.2
98.16442	1.0
98.21546	1.7
103.05497	4.8
105.03379	1.3
105.07034	4.1
107.04967	5.2
108.05755	1.5
109.02887	1.8
109.06535	1.9
111.04420	2.0
113.06039	1.2
115.05437	5.8
116.06219	1.6
117.07025	6.4
119.04974	1.2
119.08616	1.3
121.02875	1.2
121.06508	4.0
122.03655	2.8
123.04433	6.0
128.06245	6.0
129.07025	8.1
130.07747	1.7
131.04927	9.9
131.08537	2.5
133.02875	1.1
133.06523	1.3
135.04442	4.1
136.05193	5.2
137.02327	4.2
137.05991	24.9
138.06737	1.2
141.06973	5.1
141.37682	1.0
142.07771	1.5
143.04921	3.5
143.08545	3.9
144.05684	3.0
145.06493	23.0
145.10094	1.7
146.07240	4.5
147.04376	2.5
147.08025	1.9
149.06004	4.0
151.03932	3.5
151.07558	68.3
152.07959	1.0
153.07057	2.1
154.07718	1.1
155.03394	1.2
155.06041	1.7
155.08540	2.1
156.05688	1.7
157.06506	11.2
158.07280	8.9
159.04381	2.7
159.08070	9.3
160.05208	4.0
160.08879	6.8
161.06001	8.7
162.06767	5.5
163.03893	2.7
163.07524	7.1
165.05484	11.2
165.06906	2.4
165.09093	4.8
167.08562	2.1
168.05777	1.0
169.06470	3.8
169.10135	1.5
170.07358	1.2
171.04387	1.4
171.08060	7.0
172.05150	1.7
172.08841	14.9
173.06003	12.6
173.07405	1.7
173.09692	4.8
174.06766	11.7
175.03879	2.9
175.07550	15.1
176.08342	7.1
177.09113	19.5
179.03404	1.2
179.06984	4.3
179.08571	2.7
181.05019	1.2
181.06470	2.9
181.10129	1.3
182.07228	2.5
183.08089	3.7
184.08836	2.8
185.06015	3.1
185.09554	2.9
186.06735	2.9
187.07542	16.0
188.08350	20.5
188.11975	1.8
189.05563	2.1
189.09120	100.0
190.09789	3.5
191.03468	1.4
191.10690	25.6
195.08118	5.6
195.11636	1.4
196.08806	2.7
197.05977	1.8
197.09618	4.2
198.06796	1.5
198.10403	2.2
199.07529	7.7
199.11101	1.2
199.22009	1.0
200.08354	3.9
201.05447	2.8
201.09117	39.4
202.09929	8.2
203.06975	2.7
203.10684	40.8
204.11337	3.0
205.06674	1.1
205.08640	2.0
205.10397	2.1
205.12231	19.0
207.08055	2.1
208.08829	2.3
209.09618	4.1
210.06750	1.5
210.10370	1.6
211.07619	3.3
211.11249	4.4
212.08342	4.1
212.12004	5.2
213.05508	2.3
213.09140	13.4
214.09923	2.5
215.07033	1.7
215.10677	15.0
216.07845	1.6
216.11189	1.2
217.08669	5.3
217.12224	6.3
218.09195	1.4
219.08031	3.9
219.10199	8.4
219.13794	13.7
220.08911	1.1
221.09734	1.4
221.11711	2.7
222.10390	1.9
223.07504	3.0
223.11081	2.6
224.08286	2.0
225.05542	1.3
225.09151	6.3
225.12640	2.2
226.09885	2.7
227.07082	1.9
227.10701	7.3
228.11491	8.9
229.04918	3.2
229.08612	3.8
229.12236	7.4
231.08279	1.3
231.10175	25.7
231.13826	3.9
232.08655	1.2
233.09752	1.4
233.11821	2.2
235.07533	2.2
235.11240	1.9
236.08316	1.3
237.09146	1.2
237.12738	1.1
238.09973	1.3
239.06978	2.8
239.10699	6.3
240.07764	1.4
240.11545	2.5
240.15094	1.2
241.08589	6.9
241.12233	5.6
242.13043	2.4
243.10191	2.9
243.13828	21.4
245.11861	1.1
245.15401	1.6
247.07539	2.7
247.09729	1.6
247.13387	1.1
248.08371	3.0
249.09044	2.4
249.11243	15.0
251.07076	1.9
251.10786	2.9
253.08656	2.1
253.12262	2.0
254.09344	1.9
254.13106	1.4
255.06364	1.3
255.10184	3.1
255.13844	10.8
256.14655	1.7
257.11835	2.7
257.15366	15.2
260.08240	1.4
261.08878	1.8
261.11377	5.0
262.09961	1.4
263.06989	1.8
263.10651	2.9
265.08752	1.7
265.12289	2.2
266.12952	1.3
267.06659	2.5
267.10077	2.9
267.13864	3.0
269.08081	3.3
269.15469	4.7
271.16989	10.9
273.14948	1.9
275.06973	1.3
276.07730	1.2
277.08557	4.2
278.09393	2.8
279.10071	3.5
280.10593	1.1
281.08160	1.8
281.11963	1.2
281.15405	4.5
283.09546	1.6
285.14896	11.1
287.16260	1.8
289.08499	2.2
290.09442	2.1
291.10156	5.2
291.48187	1.1
292.11130	1.4
293.08240	2.6
293.11700	2.9
294.08511	1.1
295.09653	2.9
297.07758	1.8
297.11237	1.3
297.14725	1.8
299.16431	11.5
303.10089	1.9
303.16031	2.4
305.08212	2.2
305.11566	1.8
306.08994	1.4
307.09665	5.5
308.10498	1.7
309.11172	4.0
317.17435	9.5
319.09756	2.8
320.10333	2.3
321.07642	1.8
321.11255	3.5
323.12698	4.5
325.10669	1.5
333.11017	2.5
335.09247	1.5
337.10614	4.9
339.12289	1.5
349.10577	1.7
351.12265	2.2
355.11890	2.4
361.14029	1.1
363.15878	1.0
367.11679	1.7
369.13361	2.1
375.16171	1.5
385.12833	1.3
393.16992	1.7
407.54889	1.0
435.25488	1.3
445.12735	1.2
447.14554	1.3
449.13849	1.4
479.14487	2.2
481.16690	1.4
497.15744	1.3
509.15967	2.7
515.16742	1.9
527.17151	3.2
545.17993	1.6
555.19556	1.2
557.17651	2.1
567.26642	1.2
573.21472	1.2
575.18585	2.0
583.21576	1.0
618.85065	1.1
653.20422	1.4
693.22760	1.5
701.27094	2.2
703.29089	1.1
713.27905	1.3
723.23187	1.6
726.25922	3.7
731.28406	3.8
747.25311	1.9
749.28204	3.0
761.29272	3.1
767.31647	1.4
779.30695	6.3
797.31384	10.5
815.32422	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	815.328
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.9
67.05507	2.2
69.03433	1.4
69.07085	4.8
69.16648	3.7
69.17072	5.6
77.03979	0.9
79.05490	2.1
81.03428	13.8
83.04992	6.4
89.32970	0.9
91.05495	5.6
93.07049	1.1
95.04998	2.4
97.02896	1.0
103.05471	3.4
105.07044	2.9
107.04977	7.3
107.08606	1.0
108.05760	1.8
109.02902	1.1
111.04488	1.2
113.05991	1.0
115.05433	4.4
116.06203	1.2
116.24458	0.9
117.07051	4.6
119.04958	1.5
119.08514	1.3
121.06520	4.6
122.03670	2.4
123.04456	6.3
125.02361	2.2
128.06223	5.3
129.06992	7.6
130.07845	1.3
131.04924	6.9
131.08588	3.3
132.05664	1.9
133.02876	1.5
133.06497	1.6
135.04445	3.9
136.05238	2.8
137.02354	2.0
137.05994	18.3
138.06778	1.0
139.03888	1.3
141.07010	3.0
142.07820	1.4
143.04933	1.6
143.08545	2.7
144.05713	3.7
145.06505	20.1
145.10159	2.9
146.07314	4.3
147.04405	1.9
147.08054	2.5
148.05257	1.2
149.02432	1.3
149.06024	4.0
151.03986	5.7
151.07559	93.0
152.07878	1.1
153.06970	1.7
155.05992	1.2
155.08574	2.2
156.05771	1.1
157.06503	9.0
158.07295	6.9
159.04442	2.5
159.08063	17.6
160.05219	2.9
160.08846	8.6
161.06006	8.4
161.09669	0.9
162.06766	3.6
163.03915	2.7
163.07544	6.9
165.01868	2.5
165.05513	8.4
165.06941	2.0
165.09175	3.5
167.03334	1.3
167.08580	1.9
168.05710	0.9
169.06458	2.6
169.10100	1.3
170.07179	1.0
171.08061	6.9
172.08852	15.0
173.05981	11.3
173.09630	5.1
174.06776	12.0
175.03918	4.3
175.07564	15.1
175.11221	1.2
176.08310	7.9
177.09114	20.0
179.07045	3.3
179.08496	2.1
181.06494	3.1
182.07245	2.6
183.08061	3.9
184.08867	3.0
185.06026	4.0
185.09605	1.4
186.06775	2.7
186.10443	1.1
187.07561	14.8
187.11200	2.9
188.08331	24.1
188.12019	1.2
189.05521	3.5
189.09125	100.0
190.09808	3.2
191.03427	4.2
191.08910	1.1
191.10687	24.2
191.12349	1.7
192.04242	1.2
193.04985	1.2
195.08092	5.0
195.11783	1.1
196.08882	2.7
197.06062	1.7
197.09676	3.9
198.06715	1.6
198.10405	2.0
199.07556	5.7
200.08372	5.9
201.05482	1.8
201.09126	27.7
201.10988	1.7
202.09857	11.3
203.07123	2.6
203.10687	47.9
204.07693	1.2
204.11356	2.6
205.08580	2.7
205.12247	17.8
207.08070	1.5
207.11655	1.2
208.08873	2.1
209.09720	3.1
210.06776	1.4
210.10410	1.7
211.07594	3.3
211.11076	1.9
212.08412	2.8
212.11975	2.7
213.09138	11.2
214.09914	3.5
215.10663	12.5
216.07835	1.7
216.11459	1.3
217.08566	4.9
217.12224	5.1
218.09424	2.2
219.08151	2.8
219.10167	21.8
219.13744	8.6
220.08839	1.2
221.06146	1.1
221.09782	2.0
221.11818	2.5
223.07574	2.1
223.11183	5.1
224.08330	2.4
225.09203	4.9
225.12752	2.3
226.09973	1.9
227.07056	1.5
227.10674	4.2
228.07870	1.2
228.11449	5.4
229.05057	2.6
229.08698	4.7
229.12265	6.0
231.08261	1.4
231.10187	35.4
231.13860	2.8
233.09746	1.2
233.11813	2.4
234.10492	1.5
235.07487	2.3
235.11194	1.6
237.12756	1.6
238.09787	1.7
239.10681	6.5
240.11459	1.4
241.08672	3.0
241.12283	4.9
242.09401	1.0
242.12959	1.6
243.10233	2.5
243.13829	14.7
245.09644	1.3
245.15361	1.2
247.07547	3.0
247.09763	1.8
248.08319	1.7
249.08734	2.4
249.11249	43.2
250.09567	1.0
250.13699	1.0
251.07117	1.7
251.10695	3.6
252.11324	1.2
253.08693	2.3
253.12274	1.9
255.10199	2.2
255.13744	6.7
256.14557	1.7
257.11923	1.4
257.15381	10.9
259.07629	1.2
260.08469	1.1
261.08890	1.9
261.11285	4.9
263.07071	1.7
263.10678	3.8
264.07623	1.2
265.08832	1.9
265.12289	2.8
266.13098	1.0
267.06461	2.1
267.10193	2.2
267.13733	2.2
269.08081	2.6
269.11832	1.3
269.15247	4.2
271.16931	9.8
273.14948	1.7
275.07321	1.4
276.07712	1.5
277.08615	3.5
278.09406	1.5
279.10199	4.0
281.08105	2.2
281.11871	1.5
281.15381	3.5
283.09631	1.0
285.14862	11.6
287.16479	2.1
289.08380	1.8
290.09418	2.7
291.10199	5.4
293.08270	2.0
293.11523	2.1
295.09772	2.0
297.11743	1.5
299.16464	9.2
303.10086	1.1
305.08090	1.6
307.09750	6.8
308.10229	1.3
309.08008	1.3
309.11230	4.2
317.17566	10.4
319.09775	2.6
320.10468	1.8
321.11227	7.4
323.09213	1.5
323.12735	5.9
324.13382	2.0
325.10632	2.2
333.11258	1.9
335.12729	1.3
337.10822	4.2
337.14276	1.1
339.12634	1.5
349.10657	1.9
351.12222	8.3
355.11737	2.1
363.15994	1.8
367.11755	2.4
368.12762	4.5
369.13312	8.5
375.15991	1.5
377.17465	2.0
385.12973	2.4
393.17035	2.9
395.18622	1.2
431.15121	1.2
436.19031	1.0
479.14227	1.4
481.16122	1.0
497.15610	1.6
527.16882	2.7
557.17993	1.7
588.92181	1.1
672.50092	1.0
675.21820	1.5
683.27203	1.3
701.27014	2.7
708.25592	1.2
713.27075	1.8
731.28467	3.1
749.29425	3.2
761.29272	3.4
767.30560	1.1
779.29956	4.4
797.31580	9.3
815.32654	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	815.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71582	0.9
62.27385	1.0
65.03959	1.4
66.22771	1.0
67.05496	1.8
68.99792	1.3
69.03447	1.1
69.07077	5.4
71.53892	1.5
73.16195	1.2
79.05500	5.1
81.03422	10.2
81.07046	2.6
83.04990	3.6
91.05477	6.3
93.03405	1.4
93.07026	2.3
95.04971	2.5
97.02880	1.4
102.04668	1.1
103.05459	3.6
105.03419	1.2
105.07026	3.2
107.04958	5.2
108.05729	1.7
109.02869	2.1
109.06526	1.6
111.04455	2.3
111.83688	1.0
115.05445	7.3
117.07043	5.5
118.48840	1.2
119.04916	1.8
119.08569	1.6
121.02885	1.9
121.06503	4.1
122.03701	1.6
123.04464	5.7
125.02373	2.8
128.06238	6.0
129.07019	11.4
130.07375	1.3
131.04912	9.1
131.08574	3.3
132.05743	1.5
133.06461	2.1
135.04433	39.8
136.04680	10.1
137.02373	2.4
137.04973	1.7
137.05978	25.5
138.62598	1.0
139.03969	1.5
141.07001	4.1
142.07779	1.5
143.04935	4.4
143.08562	4.8
144.05702	2.7
145.06496	21.7
145.10144	2.9
146.07263	4.2
147.04469	1.8
147.08014	1.6
149.05991	4.9
150.06836	1.3
151.03922	3.1
151.07547	52.3
153.06940	2.1
155.03407	2.5
155.08553	2.7
156.05739	1.6
157.06512	11.8
158.07303	7.4
159.04420	3.0
159.08061	9.3
160.05183	4.1
160.08841	5.5
160.30214	1.1
161.05963	8.2
162.06755	3.6
163.03954	4.1
163.07547	7.4
165.05513	13.0
165.06923	2.4
165.09145	4.0
166.07742	1.1
167.08600	2.4
169.06494	4.0
169.10097	2.0
170.07263	1.7
171.04399	2.0
171.08084	6.5
172.05074	1.4
172.08853	15.7
173.05991	26.0
173.09634	4.4
174.06694	15.1
175.03905	2.7
175.07573	15.7
176.08322	7.1
177.09117	18.3
178.07806	1.4
179.07066	4.0
179.08517	2.4
181.06522	5.0
181.10075	1.2
182.07074	2.6
183.08089	4.5
184.05148	1.4
184.08864	2.1
185.05986	6.3
185.09601	1.3
186.06726	4.5
187.07562	18.9
187.11182	1.6
188.08331	21.5
189.09119	100.0
190.06271	1.2
190.09688	2.3
191.07047	1.7
191.08868	2.2
191.10675	14.9
194.07219	1.2
195.08064	3.5
196.08844	3.3
197.06007	4.1
197.09654	3.2
198.06651	2.1
198.10399	1.3
199.07599	8.3
200.08354	4.3
201.05496	2.7
201.09114	34.4
202.09877	9.8
203.07028	6.2
203.08847	1.4
203.10664	38.8
204.07594	1.4
204.11176	1.5
205.08737	2.7
205.12231	20.6
207.08069	2.6
208.08839	3.0
209.09631	2.9
210.06757	1.4
211.07562	7.5
211.11121	1.7
212.08321	3.5
212.11984	1.8
213.09154	9.2
214.09901	2.5
215.07066	5.0
215.10617	8.7
216.07617	4.9
216.11353	1.6
217.08681	5.8
217.12238	5.6
218.07289	1.4
218.09381	1.5
219.08195	1.9
219.10176	8.7
219.13857	4.6
220.08876	1.3
221.05888	1.2
221.09662	1.8
221.11647	2.6
223.07547	3.1
223.11275	2.9
224.08321	4.2
225.05595	1.4
225.09087	5.3
226.09926	4.4
227.07071	2.8
227.10617	4.8
228.11414	2.9
229.08614	5.5
229.12282	4.9
231.08080	1.9
231.10176	30.6
231.13887	3.5
233.08002	3.0
233.11722	2.2
235.07556	2.9
235.11348	1.9
236.08258	1.2
237.09059	2.7
238.09779	1.2
239.07025	5.1
239.10657	7.7
240.11479	1.6
241.08649	8.1
241.12190	5.3
242.13113	1.4
243.10176	2.9
243.13812	8.8
245.15381	3.7
247.07491	2.1
247.09789	2.2
248.08250	2.9
249.09006	2.4
249.11211	13.2
250.10153	1.4
251.07062	2.6
251.10596	4.2
252.11250	1.5
253.08627	3.2
253.12300	2.2
254.09322	1.8
254.12962	1.4
255.06335	1.3
255.10133	5.5
255.13864	8.2
256.14563	1.3
257.11926	1.0
257.12872	1.2
257.15390	8.6
259.13229	1.8
260.08234	1.4
261.11230	2.9
262.09891	1.5
263.07001	1.3
263.10651	2.9
264.07797	2.9
265.08578	3.2
265.12177	1.5
267.06580	4.2
267.10236	3.1
268.07465	2.3
269.07932	5.4
269.15216	2.0
271.17001	5.3
273.14786	1.4
275.07098	1.4
275.10614	2.0
276.07748	1.4
277.08594	3.6
277.12341	1.4
278.09433	2.4
279.06781	1.8
279.10083	3.6
280.07321	1.3
280.10696	1.6
281.08084	3.5
281.11823	3.5
281.15378	1.7
283.09790	2.0
285.14862	6.4
289.08624	2.3
290.09256	1.5
291.10217	7.7
292.07327	2.4
292.10559	2.2
293.08044	3.5
293.11606	2.4
294.08868	1.8
294.12366	1.4
295.09619	3.3
295.13052	1.1
297.11404	1.1
299.16498	5.5
301.09027	1.3
303.10245	1.7
304.07172	1.8
305.07849	1.3
306.09045	1.6
307.09772	5.2
307.12784	1.1
308.10474	1.9
309.11218	6.0
315.09930	1.1
317.17450	5.0
319.09802	5.4
320.10406	2.0
321.11298	5.5
323.09442	2.6
323.12775	7.5
324.13446	1.7
325.10614	1.4
333.11237	2.4
335.09042	1.3
337.10779	3.6
339.12430	1.6
351.08731	1.5
353.10358	1.5
355.11633	3.0
363.16046	2.0
375.15875	1.5
393.16599	1.5
460.15070	1.8
497.16190	1.6
527.16724	2.4
575.18939	2.0
623.19733	1.3
645.21979	1.8
648.64923	1.2
675.22437	2.2
678.24463	2.3
679.21875	1.4
690.24695	2.4
691.24561	1.4
693.22614	3.5
701.26910	3.7
708.25189	4.1
713.28229	1.8
719.28119	1.4
723.23834	3.4
726.26617	4.0
731.28033	5.1
749.29303	3.9
761.29114	4.0
767.31396	1.6
779.30316	7.8
797.31641	16.1
815.32513	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	815.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
63.50169	1.4
65.03934	3.2
67.05508	1.8
68.99804	1.6
69.03444	2.1
69.07069	5.6
79.05486	4.3
81.03438	8.4
83.04982	5.2
85.02917	2.0
91.05495	7.5
93.03407	1.6
94.04169	3.0
95.04979	2.9
97.02911	1.6
98.21484	5.0
103.05482	5.1
105.07065	2.9
107.04964	6.7
108.05747	2.2
109.02915	2.8
111.04431	2.2
115.05473	7.0
117.07040	7.2
119.04937	1.7
119.08553	1.4
121.02941	1.6
121.06506	5.0
122.03652	4.0
123.04435	6.7
125.02402	2.8
127.65311	1.6
128.06224	5.4
129.07037	15.2
131.04921	11.4
131.08527	1.9
133.06483	3.5
133.10135	1.5
135.04404	13.5
136.05138	3.3
137.02359	6.9
137.05984	48.2
139.03961	2.0
141.06989	3.6
143.04933	4.8
143.08588	3.4
144.05676	2.7
145.06506	24.2
146.07266	5.5
147.04413	3.3
147.08044	3.0
149.05966	5.8
151.03925	7.8
151.07558	59.0
153.05586	2.2
153.06975	2.0
155.03290	1.7
155.08548	2.5
157.06523	13.7
158.07230	6.6
159.04420	5.1
159.08102	7.6
160.05182	5.9
160.08813	8.8
161.06026	8.5
161.09621	2.5
162.06717	6.8
163.03905	3.3
163.07576	8.4
165.01782	1.5
165.05502	13.5
165.06935	2.9
165.09125	12.0
167.07176	1.4
168.05804	1.4
169.06442	3.5
169.10017	1.8
171.08073	5.3
172.05251	4.0
172.08817	13.7
173.06021	19.5
173.09612	3.8
174.06729	10.1
174.10240	1.5
175.03970	2.5
175.07587	20.4
176.08389	8.0
176.09738	1.5
177.05553	1.8
177.09113	22.2
177.42700	1.7
179.07040	6.5
179.08510	2.0
181.06509	3.8
181.10022	1.4
182.07251	4.7
183.08099	5.5
184.08830	3.5
185.06055	3.4
186.06682	4.2
186.10451	2.6
187.07567	20.5
187.11206	4.3
188.08327	23.3
188.11955	2.1
189.09120	100.0
190.09790	4.3
191.08890	2.6
191.10690	33.2
195.08105	5.3
196.08815	4.5
197.06003	4.8
197.09627	5.8
198.06746	2.0
198.10399	3.2
199.07669	7.2
199.11322	1.6
200.08322	7.7
200.12070	1.6
201.05516	2.5
201.09102	43.6
202.09889	9.4
203.07045	4.6
203.10678	45.3
204.11414	3.4
205.08649	4.3
205.12251	20.8
207.08026	2.5
208.08847	2.1
209.09642	4.5
210.10466	2.3
211.07565	4.5
211.11218	5.0
212.08269	4.5
212.11938	4.1
213.05336	1.5
213.09229	12.3
214.09848	2.7
215.06984	4.1
215.10693	18.5
216.07671	4.2
216.11522	2.6
217.08667	6.1
217.12178	10.3
219.08107	4.6
219.10208	10.2
219.13776	21.6
221.06094	1.8
221.09726	2.5
221.11783	2.5
223.07568	4.1
223.11169	4.4
224.08340	4.4
225.05653	1.7
225.09143	6.9
225.12743	2.4
226.09895	4.7
227.07030	2.7
227.10634	7.2
228.11435	7.9
229.08627	4.9
229.12289	10.6
230.09258	2.2
231.08098	3.4
231.10191	30.9
231.13782	10.6
233.07925	2.3
233.11710	2.5
235.07501	3.3
236.08279	2.4
237.09142	3.4
237.12808	2.7
238.09888	2.7
239.07076	5.4
239.10596	8.0
240.11366	3.0
240.15158	2.8
241.05022	1.9
241.08615	7.3
241.12274	11.8
242.13031	3.3
243.10133	4.1
243.13821	22.0
245.11676	3.1
245.15459	6.9
248.08241	1.5
249.09106	2.9
249.11261	14.4
250.13708	1.9
251.07063	1.6
251.10660	5.7
253.08508	3.1
253.12265	4.0
254.09540	1.8
254.12939	2.6
255.06775	1.7
255.10184	3.9
255.13765	9.5
256.14594	3.8
257.11667	2.0
257.12479	1.9
257.15384	19.9
259.13388	2.4
260.08347	2.4
261.08969	1.9
261.11307	8.3
261.13940	1.8
262.09851	2.2
263.07156	2.4
263.10605	3.0
264.08060	2.1
265.08725	3.3
265.12149	3.2
266.13019	3.3
267.06546	2.7
267.10339	3.2
267.13876	2.6
268.07269	2.3
269.08063	4.0
269.11752	2.1
269.15256	7.4
271.16888	19.3
273.14731	2.4
275.06912	2.2
275.10651	1.6
277.08688	3.3
279.06824	1.9
279.10165	4.1
280.10983	2.4
281.08081	2.8
281.12051	3.1
281.15445	8.8
283.09720	2.7
285.14893	5.2
287.16479	3.0
289.08624	3.1
289.11987	1.7
289.18011	2.7
290.09656	1.9
291.06873	1.8
291.10236	6.9
293.08234	4.0
294.08795	2.4
295.09598	4.5
297.07611	1.6
299.16428	21.2
305.08359	2.7
307.09619	6.0
308.10281	2.4
309.11255	4.1
317.17520	10.4
319.09732	4.5
320.10422	3.4
321.11234	6.1
323.09207	2.7
323.12881	4.8
324.13434	2.1
337.10785	4.5
338.11481	2.2
351.12241	2.7
355.12036	2.6
367.11703	2.3
369.13501	3.0
463.13565	1.5
525.19080	1.5
527.17383	3.2
545.18372	1.6
557.18048	2.2
575.19189	4.3
587.19025	2.0
609.19427	2.6
678.23773	1.9
693.23322	2.4
705.23584	3.2
723.24329	2.2
726.26013	2.0
731.28339	4.2
739.27051	3.4
741.25348	2.0
749.29346	4.7
759.25061	1.8
761.29004	3.1
767.32184	3.2
779.30737	10.8
797.31549	13.4
815.32788	30.8
822.56482	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
65.03946	2.2
66.04703	0.2
67.05511	1.1
69.03439	2.2
70.06586	0.5
71.04990	0.2
73.02921	0.2
77.03928	0.2
79.05492	0.7
81.03428	3.8
81.07050	0.4
84.08142	0.2
85.02919	2.0
86.09692	0.2
91.05488	1.3
92.68765	0.1
93.03424	1.6
93.54422	0.1
94.04220	1.1
95.01372	0.2
95.04999	0.9
96.05698	0.2
97.02901	1.7
98.20787	0.4
99.04463	0.6
103.05470	0.6
104.06327	0.2
105.03436	0.2
105.04553	0.1
105.07044	1.9
107.04940	0.5
108.02099	1.7
109.02900	1.7
109.06515	0.5
111.04460	1.8
112.01569	0.3
115.05463	1.2
117.07030	0.5
119.04970	0.3
119.08565	0.8
121.04007	0.2
122.03656	2.5
123.04467	0.1
125.05997	2.0
127.03928	1.5
127.05432	0.2
128.06242	0.7
129.07022	0.7
130.90083	0.2
131.04938	0.7
131.08621	0.2
132.05742	0.8
133.06519	1.6
136.01601	0.4
137.05994	33.9
138.06303	0.4
141.05460	1.3
141.07014	0.2
143.04951	0.2
143.08308	0.1
144.05763	0.2
145.04956	0.3
145.06525	0.4
146.03633	0.3
147.04433	0.5
147.08052	1.1
149.06006	0.5
151.03925	100.0
151.04988	6.1
152.04272	0.6
155.04962	0.4
156.05722	0.3
157.06477	0.2
159.08009	1.0
160.05202	0.8
161.06003	5.1
163.07625	1.1
165.07004	0.3
167.07048	0.2
169.04988	6.1
169.06296	0.2
171.08087	0.3
172.05219	0.5
175.07568	9.9
179.07031	0.4
184.05222	0.4
185.05934	0.2
187.07576	2.9
189.07121	0.3
189.09009	0.2
190.07843	0.9
191.08580	3.0
199.07576	2.4
202.07765	1.2
203.06938	0.2
203.08607	1.9
205.06569	0.3
207.08202	0.2
208.08904	0.3
217.08601	0.5
218.07263	0.7
219.08087	4.3
220.08801	0.9
221.06093	0.2
231.08080	2.2
232.08833	0.4
233.09634	0.3
235.07587	0.3
236.08452	0.9
237.09279	0.3
247.07613	1.9
248.08319	1.4
249.09123	0.4
251.10703	5.2
253.06900	0.2
258.06870	0.2
259.07547	1.5
260.08371	0.5
261.09262	0.7
263.10715	1.3
264.07791	0.7
265.08609	0.5
273.09119	0.2
275.07196	0.2
276.07700	0.9
277.08789	0.8
278.09552	0.2
279.10193	3.7
280.10953	0.4
281.08115	0.4
283.08154	0.4
291.10184	3.4
292.10913	0.5
293.08191	0.3
295.08115	6.8
295.13190	0.3
296.10587	0.5
308.10358	0.5
309.11121	0.2
311.12817	12.0
313.09192	5.0
321.11203	0.3
323.12823	6.2
324.13052	0.2
325.14423	0.5
335.12756	0.2
341.14020	0.7
353.14120	0.2
401.14020	0.5
419.14740	0.2
699.18384	0.2
795.31494	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.9
69.07075	12.1
70.06576	1.5
71.52332	2.4
71.52704	1.5
80.21298	1.4
81.03416	5.5
83.04960	4.6
86.09705	3.2
91.05470	9.2
93.03413	1.7
94.04187	4.7
95.04985	2.0
95.08626	2.0
103.05473	4.3
105.07058	3.0
107.04946	4.3
109.02879	3.7
109.06518	2.5
111.04419	2.6
115.05465	10.1
116.07079	3.2
117.07039	8.6
119.04958	3.3
121.02828	2.3
121.06538	5.3
122.03641	7.1
123.04414	7.0
128.06215	5.9
129.07034	12.4
131.04927	11.0
131.08556	3.3
132.05672	3.5
133.02838	3.9
133.06450	4.9
134.03696	1.7
135.04411	6.2
135.08043	2.2
136.05188	3.4
137.02327	4.4
137.05986	100.0
139.03876	2.1
143.04926	5.2
144.05690	5.0
145.06496	24.1
146.03648	1.7
146.07268	9.4
147.04408	5.1
147.08017	2.4
149.05948	3.7
151.03908	17.3
151.07550	31.8
153.05479	2.1
157.06494	13.0
158.07242	6.2
159.04396	6.1
159.08046	10.1
160.05287	8.8
160.07581	2.9
160.08841	40.9
161.02316	1.9
161.06012	9.1
161.09596	2.9
162.06732	2.5
163.03946	3.2
163.07544	4.9
165.01857	7.3
165.05460	9.2
165.06828	2.6
167.03409	2.9
168.05722	1.7
169.06485	3.6
170.50035	1.8
171.04425	2.4
171.08047	1.8
172.05241	1.7
172.08850	5.2
173.06013	15.8
174.06789	11.0
175.03920	16.4
175.07561	27.7
176.08305	15.0
177.09120	25.3
179.07095	1.8
179.08536	2.5
181.06497	5.2
182.07259	7.6
184.07407	1.5
185.06041	2.9
186.06804	2.4
187.07576	14.2
188.08345	13.4
189.05490	5.6
189.09109	72.5
191.03409	9.7
191.07033	4.8
191.08910	3.4
191.10681	52.7
192.04187	3.5
194.07213	2.2
195.08073	4.8
196.08870	4.5
197.05997	3.3
199.07509	4.3
201.05481	5.4
201.09120	14.3
202.07724	1.9
202.09874	5.1
203.06947	2.8
203.08757	3.0
203.10655	10.2
205.06679	2.6
205.08607	14.9
205.12254	2.2
207.08089	4.4
208.08823	5.7
209.05946	2.4
209.09428	1.7
211.07626	2.8
212.08377	2.7
213.05367	1.7
213.09103	8.7
214.09857	4.7
215.06940	1.9
215.10680	2.1
217.04903	3.5
217.06839	2.0
217.08565	8.1
218.09317	1.8
219.08119	9.7
219.10152	96.7
220.08855	6.3
221.09717	3.7
222.06635	2.1
223.07706	3.2
224.08377	4.8
225.09134	3.7
227.07089	3.0
229.08589	2.6
231.06406	4.6
231.08328	3.2
231.10242	2.3
232.08769	4.2
233.05971	3.4
233.09662	3.5
234.06775	3.6
234.10413	2.5
235.07564	11.4
236.08362	5.9
237.09062	5.0
238.09834	2.5
239.07043	3.2
239.10648	15.0
247.07503	7.0
247.09773	2.1
248.08662	9.1
249.07542	7.2
249.09401	4.4
250.06297	3.3
250.09920	2.1
251.06955	2.7
251.10709	11.9
253.08698	7.7
255.06601	3.4
255.10059	2.2
257.15118	1.8
259.07559	4.0
260.08340	3.6
261.09052	3.7
262.06186	2.5
262.09875	2.4
263.07104	8.5
263.10660	6.9
264.07825	6.3
265.08600	14.1
265.11368	1.8
265.12231	1.6
266.09406	3.4
267.07333	2.2
267.10236	15.4
275.07028	6.4
275.10339	1.8
276.07779	6.1
277.08517	12.3
278.09314	6.4
279.10165	41.5
280.10867	3.5
281.08325	2.8
281.11761	2.5
283.09167	2.1
284.81241	1.7
285.11224	2.6
289.08658	4.4
290.09506	7.9
291.06967	2.9
291.10110	14.3
292.07550	3.6
292.10834	4.0
293.08066	10.0
293.11465	3.9
294.08807	2.9
295.09778	11.4
297.11221	3.4
305.08017	4.7
306.08832	6.3
307.06229	2.3
307.09622	38.4
308.10480	9.0
309.08026	2.2
309.11246	14.2
318.08856	3.0
319.09589	10.7
320.10309	3.1
321.11194	34.0
322.08279	2.1
323.09137	4.6
323.12799	3.5
325.10699	5.2
327.12085	2.3
335.09158	5.8
337.10770	27.4
338.11716	3.6
339.12262	4.9
341.10275	1.9
343.11899	1.9
349.10736	7.9
350.11459	7.1
351.12344	18.7
355.11868	4.1
367.11810	5.3
368.12723	13.1
411.12265	3.1
429.13489	2.5
439.13870	3.1
455.37411	2.8
459.14764	2.0
461.13251	3.1
467.15005	1.6
471.14407	3.2
479.14728	6.8
481.16409	2.3
497.15842	6.0
509.15878	3.2
527.17133	7.9
539.16791	4.5
557.17780	6.1
591.18658	16.1
597.19067	2.2
601.18188	5.5
605.20331	34.2
615.20160	19.4
621.21661	2.7
633.11523	2.8
633.21265	37.8
645.21094	6.6
651.22443	7.8
663.22009	16.1
681.23279	22.5
693.23456	3.9
711.23743	5.4
727.23950	3.8
729.25055	2.9
731.29486	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	814.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	2.3
68.32045	1.4
69.07085	7.7
69.40107	7.9
69.40523	3.1
79.05461	2.1
81.03423	5.6
83.05004	2.4
86.09721	2.8
89.49300	1.4
91.05466	7.1
94.04189	3.5
95.04955	1.4
103.05481	4.6
105.07035	3.3
107.04959	3.0
109.02864	3.6
109.06561	1.7
111.04455	1.7
115.05453	9.4
116.06268	1.8
117.07057	8.2
119.04966	3.3
121.02930	1.7
121.06509	7.3
122.03664	8.5
123.04420	7.8
128.06242	7.7
129.07008	13.7
131.04901	12.4
131.08569	3.7
132.05730	2.3
133.02863	3.0
133.06496	1.8
135.04451	5.0
137.02370	3.4
137.05988	100.0
143.04933	5.9
144.05705	5.3
145.06483	21.9
146.07254	8.3
147.04437	5.6
147.08060	3.4
149.05992	4.8
151.03922	18.0
151.07555	32.2
155.06078	2.2
157.06499	16.8
158.07277	5.4
159.04437	3.0
159.08035	11.4
160.05220	8.4
160.08842	36.3
161.05991	14.1
161.09679	3.9
162.06773	4.8
163.03934	4.0
163.07571	4.6
165.01859	4.2
165.05490	5.5
167.03381	4.2
167.08533	1.6
171.04349	2.0
171.07956	1.9
172.08856	5.0
173.05986	11.9
174.06763	11.7
175.03946	16.9
175.07553	30.3
176.08296	13.6
177.05461	2.0
177.09100	23.1
178.07796	1.9
179.06999	3.3
179.08514	2.9
181.06485	4.2
182.07333	6.0
183.08041	2.3
184.07388	4.3
185.06055	3.0
186.06795	3.3
187.07585	17.0
188.08347	15.9
189.05492	4.0
189.09119	80.9
190.09822	2.1
191.03397	6.1
191.07027	3.4
191.08853	2.2
191.10683	52.3
192.04132	3.6
193.04993	2.4
193.06610	1.6
195.08086	6.2
196.08881	4.6
199.07581	4.9
200.08345	2.4
201.05563	6.2
201.09108	17.6
202.09940	5.5
203.07014	2.9
203.08742	2.5
203.10622	18.6
205.06667	2.8
205.08623	10.8
207.08067	7.3
208.08852	6.8
209.06082	3.1
209.09662	2.1
210.06813	1.8
211.07584	4.0
212.08379	4.1
213.05565	2.8
213.09105	13.9
214.09918	5.4
215.06967	2.7
215.10658	3.4
217.08513	9.2
218.07277	2.7
219.08110	8.5
219.10139	77.7
220.08833	2.7
221.09648	1.6
222.06802	1.9
223.07591	4.1
224.08337	4.8
225.09113	4.7
226.09970	2.7
227.06979	6.1
231.08267	3.4
232.08798	4.9
233.06027	3.0
234.06731	3.2
235.07532	10.2
235.09593	2.3
236.08308	4.8
237.09132	5.6
238.09880	2.2
239.07086	2.4
239.10716	15.8
241.08591	2.9
243.13731	1.8
247.07559	7.6
248.08401	10.0
249.05504	2.8
249.09190	6.4
250.06256	2.2
251.06987	3.6
251.10684	11.8
252.07828	2.8
253.08542	10.1
255.06598	4.0
255.10243	2.3
257.08118	2.0
258.06763	1.7
259.07550	2.2
260.08386	2.3
261.09299	3.6
262.09933	3.7
263.07181	8.1
263.10672	9.8
264.07800	7.1
265.08630	12.1
266.09210	2.2
267.10147	17.8
269.08096	1.7
275.07101	6.0
276.07855	3.6
277.08643	11.9
278.09348	4.8
279.10184	38.8
280.10999	3.0
281.11722	3.3
283.09698	3.2
287.06873	1.8
289.08585	4.8
290.09387	13.2
291.06894	2.6
291.10065	17.2
292.07385	2.6
292.10794	2.8
293.08148	8.4
293.11823	4.6
294.08957	2.9
295.09613	11.4
297.11182	3.6
303.10229	2.1
305.08023	3.1
306.08881	7.8
307.09634	41.3
308.10504	7.8
309.11200	14.6
310.12122	1.7
317.08078	1.6
319.09598	12.0
320.10556	5.6
321.07645	3.5
321.11234	32.8
322.08524	2.0
323.09198	5.0
323.12717	2.2
325.10623	9.2
327.12109	1.8
333.11359	2.7
335.09219	4.8
337.10681	32.7
338.11539	4.1
339.12418	5.6
349.10583	9.5
350.11554	7.4
351.12335	25.5
355.11880	3.7
367.11758	8.9
368.12546	16.1
369.13193	3.5
411.12308	2.3
417.11383	1.7
429.13605	3.2
441.13956	1.8
449.14133	1.8
453.13751	1.7
459.14450	2.1
463.14374	1.7
467.14615	3.5
471.14243	5.0
475.13760	2.1
479.14828	3.9
497.15894	6.2
509.15875	3.5
512.42944	1.8
517.15033	2.4
527.16626	3.2
539.16632	4.4
557.17938	3.3
585.18884	2.9
591.18610	14.8
601.18433	7.0
602.19330	2.1
603.20221	3.6
605.20929	12.0
615.20093	21.4
617.21600	2.1
621.21350	1.7
633.21210	50.6
634.21576	1.9
645.21045	5.3
651.21851	10.2
653.69012	1.6
661.26422	2.0
663.22284	19.8
681.23267	35.0
693.22931	5.1
711.24518	7.5
727.23364	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	813.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.6
67.05515	0.2
68.99799	0.6
69.07078	0.5
77.03939	0.8
79.05493	2.3
81.03423	4.7
83.01304	0.2
83.04979	1.2
85.02898	0.4
91.05486	1.8
93.03387	0.6
94.04217	0.3
95.04982	0.9
97.02892	2.2
98.21552	0.5
102.04714	0.3
103.05500	1.4
105.03400	0.7
105.04523	0.4
105.07045	0.6
107.04975	1.0
107.86227	0.2
109.02905	0.5
109.06521	0.3
111.04446	0.8
115.05459	6.8
117.07040	3.4
119.04887	0.3
121.02904	0.6
121.06435	0.3
122.03647	0.8
123.04465	0.6
125.02373	5.1
128.06226	3.1
129.07010	13.0
130.04172	0.3
131.04939	2.1
133.02902	0.3
133.06477	0.6
135.04425	100.0
136.04781	0.8
137.02347	0.7
137.05984	14.9
139.03856	0.5
139.05418	1.2
141.07004	0.8
143.04939	4.4
144.05739	0.3
145.06496	4.6
147.04460	0.5
149.02336	1.7
149.06082	0.3
151.03914	3.8
151.05098	0.3
151.07521	1.4
152.06233	0.9
153.01857	0.3
153.05637	0.5
153.06973	3.4
155.03412	6.4
155.04739	0.5
155.06064	0.7
156.05719	1.0
157.06503	14.4
158.07188	0.2
159.04414	1.9
159.08087	0.3
160.05215	3.1
161.05980	2.3
163.03896	0.5
163.07545	0.5
165.01884	0.3
165.05478	3.1
165.06969	1.4
167.03395	1.1
167.04944	1.3
167.08585	0.7
169.06500	0.7
171.04427	0.3
172.05190	1.3
173.05997	47.9
174.06622	0.8
175.03926	1.0
175.06035	0.5
175.07562	9.7
177.05524	0.3
177.09167	0.2
178.07693	0.5
179.03421	0.3
179.07248	0.3
179.08640	0.8
180.05685	0.4
180.14313	0.2
181.05054	0.3
181.06480	10.0
182.06909	0.2
183.04436	0.3
183.08064	0.3
185.05991	9.0
186.06763	4.9
187.03976	0.4
187.07556	13.5
188.08185	0.2
189.05447	0.6
189.06989	1.0
189.09081	1.6
191.03304	0.4
191.07085	0.3
191.08571	2.1
191.10439	0.4
193.06555	0.6
195.08047	0.8
197.05994	5.5
198.06816	0.5
199.07587	1.1
201.05460	0.6
201.07198	0.2
201.09093	0.5
202.06201	0.3
203.07037	16.2
203.10495	0.4
204.07477	0.3
205.06558	0.5
205.08524	2.7
206.07272	0.4
207.08005	1.2
209.04318	0.3
209.06004	0.9
209.09641	0.3
210.06755	1.9
211.07567	4.4
212.08211	0.3
213.05505	0.6
213.09076	0.3
215.07047	16.8
217.06525	0.7
217.08600	0.8
218.07161	0.3
219.08212	2.0
219.10130	0.5
221.06108	0.5
221.09677	0.3
222.06816	0.4
223.07521	2.1
225.09113	1.2
227.07079	0.5
231.08232	0.3
233.08089	11.3
235.07915	1.3
235.09576	1.4
236.08337	0.6
237.05396	0.4
237.09129	1.0
239.07004	1.4
241.08476	0.5
245.06079	0.2
247.07545	1.8
247.09718	0.3
248.08366	0.5
249.09100	0.9
251.07011	0.6
251.10617	0.3
252.93179	0.2
253.08585	0.8
254.09354	1.4
255.06470	0.4
259.07578	0.5
262.06381	0.2
263.07034	1.3
263.10651	0.2
265.08627	1.6
267.06558	0.4
267.10040	0.4
269.07953	0.3
271.09714	0.7
275.07080	0.9
276.07962	0.2
277.08618	0.9
279.06586	0.5
279.10010	0.5
283.09656	0.8
291.06656	0.6
291.10187	0.8
293.08099	4.9
295.09647	1.0
301.14236	0.3
303.06625	0.4
309.07489	0.7
309.11072	0.3
311.09131	0.6
320.52930	0.2
321.07587	2.3
322.08063	0.3
323.09055	0.8
323.12854	1.0
325.10672	0.6
327.12369	0.3
328.10760	0.3
339.08682	1.7
339.12271	0.3
341.10248	5.6
341.13943	0.7
350.81793	0.2
351.08731	1.1
357.09427	0.5
357.13446	1.4
369.09705	3.3
387.10721	0.9
425.19363	0.3
620.29651	0.2
745.24152	0.4
813.31219	3.0
829.49762	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	4.4
59.71035	2.1
65.03961	2.8
67.05506	6.9
69.03415	3.6
69.07062	4.2
70.06575	3.5
71.51797	2.7
73.05054	2.2
79.05497	9.9
81.03412	10.8
81.07036	2.7
83.04985	20.4
84.73962	2.5
91.05489	10.2
93.07059	3.1
95.04965	5.9
95.08617	3.0
97.02901	2.6
99.48382	2.1
103.05490	9.1
105.07040	5.9
107.04951	7.2
109.02877	2.5
111.04396	3.1
115.05473	8.7
117.07027	8.1
120.69114	2.4
121.06506	7.0
123.04438	8.2
128.06204	5.7
129.07016	13.8
131.04935	9.4
131.08528	3.3
135.04427	94.4
136.05220	5.0
137.02373	7.4
137.06013	8.7
141.07011	5.4
143.04871	6.1
143.08575	2.6
144.05788	3.2
145.06505	16.9
146.07274	5.1
147.04364	4.9
147.08043	5.2
149.02368	7.5
149.05977	8.2
150.06758	2.7
151.03943	4.1
151.07552	79.0
155.08626	4.2
157.06535	18.1
158.07272	7.2
159.04446	6.0
159.08127	11.5
160.05185	3.9
160.08835	19.3
161.05978	15.5
161.09549	2.8
162.06792	9.9
163.03929	7.0
165.07028	3.3
165.09117	22.5
167.08617	3.2
169.06493	3.7
171.08047	9.1
172.08841	9.9
173.06000	22.0
173.09657	8.0
174.06799	9.3
174.10379	5.2
175.03923	5.2
175.07541	17.8
176.08289	13.4
177.09137	23.9
179.07079	13.8
181.06551	6.1
181.10110	2.7
183.08081	8.9
184.08859	5.2
185.05954	14.5
185.09738	6.6
186.06754	5.4
186.10434	3.0
187.07558	19.3
187.11111	3.0
188.08353	17.7
188.11995	5.3
189.09105	63.4
190.07823	2.5
190.09854	7.9
191.10675	100.0
195.08095	8.0
196.08786	5.0
197.09631	18.6
198.10396	7.7
199.07590	7.9
199.11172	4.7
200.08369	12.4
200.11893	2.9
201.09145	50.9
202.09926	14.7
203.07083	7.4
203.10667	52.0
204.11461	12.8
205.12256	18.2
208.08844	3.4
209.09673	7.4
210.10437	6.5
211.07588	4.7
211.11240	6.8
212.08302	5.9
212.11964	19.7
213.05424	4.5
213.09062	17.6
213.12558	3.7
214.09911	7.5
215.07132	3.0
215.10703	41.1
216.11516	9.7
217.08699	3.1
217.12280	26.7
219.08168	6.2
219.10225	6.7
219.13797	58.1
221.09650	3.4
223.07544	2.8
223.11177	9.7
224.08430	4.9
225.09135	10.2
225.12778	6.7
226.09978	6.5
226.13515	4.1
227.10617	13.6
227.14372	2.4
228.11424	30.4
229.05006	3.2
229.08693	4.1
229.12238	23.4
230.13147	3.3
230.49214	2.5
231.10190	19.8
231.13722	12.7
233.11765	6.8
235.11212	4.7
237.12775	6.4
238.13509	3.3
239.10727	16.3
240.11543	5.3
240.15044	4.9
241.12273	24.7
242.12981	8.8
243.10143	7.5
243.13828	85.6
244.14433	3.3
245.11835	2.9
245.15395	16.3
249.11198	4.7
250.13481	5.7
251.07147	3.4
251.10799	5.4
253.12331	5.0
254.13028	7.8
255.13805	16.3
256.14584	7.3
257.11584	3.7
257.15369	31.0
258.15768	2.7
259.13150	4.4
261.11252	22.0
263.06985	3.8
265.08389	2.9
266.13116	5.2
267.10153	3.3
267.13754	5.1
269.15387	19.3
271.16922	55.6
277.08713	5.3
281.15338	23.1
285.14853	2.8
287.16385	7.4
289.12143	3.3
289.18042	8.1
293.08154	5.1
299.16443	64.9
305.08331	4.1
306.09067	3.0
317.17535	47.6
321.07648	3.1
321.11188	5.0
435.17844	2.8
436.18631	3.0
437.19669	3.2
449.12250	6.0
453.18817	3.3
699.25085	3.8
729.26294	5.5
737.25677	4.3
747.27069	3.7
759.27710	4.8
777.28748	6.7
795.30182	6.8
795.50867	4.2
813.30902	46.0
813.44098	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	813.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.6
68.99786	0.5
69.03403	0.5
69.07066	1.1
70.06588	0.4
71.52590	0.6
77.03942	0.5
79.05511	2.2
81.03426	5.7
81.04282	0.4
81.07069	0.5
83.04971	1.5
85.02914	0.6
91.05476	1.4
93.07094	0.5
95.04984	1.1
97.02907	1.8
103.05476	0.9
105.03403	1.0
105.07050	1.4
107.04962	1.0
107.08612	0.5
108.57158	0.4
109.02927	0.5
111.04456	1.2
115.05460	5.9
116.07178	0.4
117.07023	3.6
121.06516	0.5
121.20043	0.4
122.03651	1.3
123.04438	0.8
125.02367	6.3
125.06097	0.4
128.06218	2.8
129.06038	0.5
129.07025	10.1
131.04939	2.6
131.08603	0.5
133.02803	0.4
135.04431	100.0
137.05984	16.4
139.05493	0.8
141.01851	0.4
141.06999	0.6
143.04932	3.5
145.06514	4.9
147.04378	0.4
147.08057	0.7
149.02361	1.5
149.06021	1.0
151.03946	3.0
151.07535	2.9
152.06221	0.8
153.07004	2.5
155.03415	5.8
155.06046	0.8
156.05746	1.0
157.06511	11.3
159.04446	1.4
159.08043	0.5
159.79973	0.4
160.05226	1.6
161.06006	2.2
163.03893	0.8
163.07581	0.8
165.05513	3.0
165.06828	0.9
167.03491	0.8
167.04979	0.6
167.08664	0.7
169.06506	0.7
172.05232	1.3
173.06003	36.9
174.06763	0.7
175.03947	1.1
175.07600	5.2
177.09174	0.8
179.03500	0.6
179.08582	1.0
181.06502	7.5
183.08058	0.5
185.06003	8.9
186.06752	3.5
187.05893	0.8
187.07565	10.9
187.09192	0.8
189.05453	0.6
189.07109	0.4
189.09123	1.8
191.08572	1.4
195.08121	0.7
197.06032	4.1
199.07527	1.0
201.05408	0.6
201.09151	1.0
203.07059	15.9
203.10681	1.2
205.08679	2.2
205.12267	1.8
207.08072	0.7
210.06673	2.0
211.07547	3.8
213.05508	0.6
213.09200	0.5
215.07062	14.8
217.06798	0.5
217.08614	1.9
219.08128	1.6
219.10086	0.9
223.07593	1.9
225.05669	0.5
225.09158	1.0
227.07021	0.7
227.10588	0.7
233.08087	12.4
235.07623	1.3
235.09712	1.0
236.08434	0.7
239.07056	1.0
239.10727	0.5
247.07562	1.2
249.09142	1.0
251.06970	0.7
253.08664	1.2
254.09489	1.4
255.13849	0.7
263.07144	1.0
265.08539	1.5
275.07120	0.8
277.08545	0.5
279.06540	0.5
279.10110	0.7
283.13327	0.8
285.14844	0.4
291.10297	0.4
293.08096	3.5
295.09692	0.9
301.14767	0.5
311.09009	0.5
316.87302	0.4
321.07666	1.4
323.09250	1.0
323.12854	0.7
325.10785	0.5
333.07605	0.4
339.08752	1.9
341.10336	4.1
351.08698	0.8
353.14014	0.6
353.75186	0.4
369.09799	1.9
385.09241	0.8
387.10809	0.9
409.20331	0.9
425.19788	0.5
494.93851	0.4
745.24976	0.6
813.30707	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56364	0.7
65.03932	1.0
67.05514	7.1
69.03433	3.0
70.06610	1.4
71.07375	1.9
71.52905	1.2
72.08158	8.5
79.05500	18.3
81.03403	2.3
81.07063	3.1
84.79218	0.8
85.02896	2.2
86.09682	1.0
87.00827	0.8
91.05489	10.3
93.07049	2.8
95.04955	2.1
102.63466	0.7
103.05488	1.1
105.07047	9.4
107.04968	2.6
107.08603	10.2
109.06497	0.9
117.07033	1.7
119.08585	2.1
121.06481	0.8
131.04874	1.1
131.08585	3.3
133.06522	2.2
133.10136	1.8
135.08025	0.9
139.09917	2.4
143.08606	0.7
145.06471	1.0
145.10109	2.1
147.11726	2.5
147.58647	0.7
149.13466	0.9
153.01834	7.0
165.01842	1.4
165.03282	0.8
173.09671	1.6
175.03844	0.8
175.11194	1.0
177.05566	1.4
178.91379	0.7
187.03938	1.4
201.05569	1.3
217.05005	2.9
229.04996	1.6
231.07738	0.9
241.05019	0.8
244.17026	1.2
245.04488	4.1
246.18584	4.7
253.04869	0.9
257.04471	1.9
269.04532	1.0
271.06125	1.3
273.04001	3.2
285.03958	2.1
299.05472	3.9
301.03412	6.6
302.04175	0.8
303.05008	3.5
312.06326	1.2
313.03461	3.7
313.07187	2.2
325.07166	1.3
327.05023	48.3
328.05399	1.0
340.05811	5.1
341.06622	9.4
353.06555	3.3
355.08017	0.9
379.08133	7.7
381.76645	0.9
407.11377	2.4
475.13980	12.0
546.21307	100.0
547.21533	2.2
564.22430	11.2
626.64679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.0
60.68385	0.6
61.02940	6.6
65.18600	0.8
67.05511	5.3
69.03443	2.6
69.07083	2.7
69.15092	7.0
71.27764	0.6
73.02931	4.7
79.05527	3.6
81.03426	1.8
81.07063	6.8
85.02910	5.0
91.03969	3.2
91.05505	2.6
93.07075	5.0
95.04955	0.9
95.08617	4.2
97.02898	4.5
97.06561	0.9
98.20702	1.5
99.04483	1.0
101.02400	1.7
105.07046	2.1
107.08619	2.9
109.10193	2.2
119.08611	2.6
121.10146	1.3
127.03922	1.4
131.08598	1.2
133.10182	1.6
135.11717	1.3
145.10133	1.1
159.11668	1.1
178.15654	0.8
202.35870	0.8
203.05302	1.0
206.66487	0.7
219.17502	1.1
243.08437	3.4
259.31339	0.7
266.09729	0.7
315.19421	5.1
371.21805	0.8
459.68585	0.8
519.29376	7.6
533.27240	4.8
779.66394	0.8
811.49744	100.0
812.50128	4.3
841.00854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.2
58.80655	0.3
59.05003	0.9
60.42995	0.3
61.02936	4.6
67.05510	4.4
69.03434	3.5
69.07074	2.6
69.56840	1.8
71.01341	0.5
71.04997	1.7
73.02923	3.6
79.05495	4.4
81.03428	4.1
81.07058	5.3
83.04987	1.0
83.08630	1.2
85.02914	4.3
85.06586	0.3
87.04492	0.6
91.03961	2.8
91.05482	4.8
93.07065	3.7
93.28060	0.4
95.04980	1.7
95.08632	2.4
97.02901	4.4
97.06567	1.1
98.20698	0.4
99.04493	0.7
101.02361	2.0
105.07043	3.0
107.08598	2.3
109.02936	1.2
109.06535	0.8
109.10171	0.7
111.08065	0.6
115.05453	0.6
117.07067	0.5
119.08595	2.8
121.06551	0.5
121.10191	2.2
123.08035	0.4
125.09670	0.7
127.03938	1.5
129.07037	1.3
131.08574	1.7
132.70721	0.4
133.06575	0.3
133.10130	1.8
135.04361	0.4
135.11725	0.5
139.18654	0.3
145.05002	0.4
145.10196	0.9
145.32744	0.3
147.11726	1.6
149.09612	1.7
151.07634	0.8
157.10191	1.0
161.06084	0.4
175.11235	1.1
184.07364	0.7
185.04198	0.4
193.12338	1.5
211.13356	0.5
236.19356	0.4
243.08397	3.8
267.16046	0.5
283.15213	4.4
301.09259	0.4
333.20325	2.4
339.17889	1.2
389.23273	0.8
413.17914	0.6
439.19498	1.2
441.21259	0.8
453.20621	0.8
469.20694	1.2
501.23105	14.6
551.28333	9.3
551.36407	0.6
573.25055	0.4
641.31824	0.5
649.38806	0.6
699.35870	0.4
721.37701	3.3
811.44519	100.0
812.44739	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	808.557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	14.3
65.03939	4.8
67.05516	89.5
68.70348	4.6
69.07084	20.8
71.02179	10.4
74.05235	3.8
76.17678	4.3
79.05504	78.9
79.05959	4.4
81.07068	90.7
83.04997	5.3
83.08627	15.1
89.32548	4.5
91.05492	82.0
93.07059	90.3
95.04990	5.5
95.08619	67.3
97.06496	7.0
97.56503	4.0
105.07050	82.7
107.08613	42.9
109.10194	26.7
115.32824	4.0
117.07019	29.6
118.97216	4.0
119.08587	50.2
121.10154	36.1
123.11686	5.6
128.74875	4.7
129.07014	12.6
131.08577	27.5
133.10135	52.1
135.11700	32.5
143.08575	13.0
145.10129	31.3
147.11710	36.6
149.13275	12.4
157.10135	11.1
159.11763	29.0
161.13242	28.1
171.11720	15.7
173.13303	22.1
175.14851	12.6
183.11772	6.1
185.13206	7.6
187.14891	8.4
215.17831	5.5
231.21078	6.1
241.19609	35.5
257.18970	10.6
259.20599	79.4
261.22223	11.5
272.25699	4.6
273.12869	4.3
315.23352	5.5
333.24237	61.7
335.25867	100.0
337.27707	5.3
351.25137	5.5
441.26593	5.7
453.15860	4.3
593.45490	18.8
611.46802	63.1
612.46924	5.4
701.72034	5.2
800.72882	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	807.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.8
67.05508	1.4
69.03438	3.0
69.80786	1.6
69.81181	2.3
73.02926	1.2
79.05507	2.5
81.03444	2.2
82.06582	1.3
85.02914	5.6
87.04501	0.8
91.05489	2.3
91.60908	0.6
93.07053	2.8
94.06579	6.4
95.07350	2.3
96.08142	7.7
97.02910	2.9
103.05473	1.1
105.26102	0.7
106.06590	3.5
107.07333	0.9
108.04517	0.9
108.08129	14.9
110.09690	12.3
116.05003	1.1
118.06579	1.5
119.49242	0.7
120.04496	2.7
120.08104	11.6
121.06464	0.9
121.08932	1.1
122.06042	12.9
122.06900	0.9
122.09697	3.7
124.07619	5.7
127.03958	1.0
127.64822	0.7
128.97224	0.7
132.08125	1.2
134.06020	3.2
134.09633	1.2
136.07588	24.4
138.05579	0.9
138.09143	17.0
144.04460	4.1
146.06006	8.0
148.07582	14.5
150.05525	0.7
150.09154	11.8
152.07091	20.4
152.08304	1.3
158.06035	0.8
160.03943	1.5
160.07658	1.7
162.05576	2.5
164.07063	6.9
165.07973	0.8
166.08649	42.8
167.07143	1.5
172.03943	22.8
174.05562	1.7
174.09167	2.2
176.07074	2.5
180.10217	0.8
181.04941	0.6
182.08215	1.5
190.04994	16.5
194.08238	1.2
197.10776	2.2
198.11592	2.7
199.12352	1.7
200.07088	0.7
204.06572	31.1
206.08321	0.9
209.10796	2.0
210.11502	3.9
211.08685	1.4
211.12285	5.9
212.09380	0.8
212.13161	2.5
213.10323	1.6
213.13832	1.2
216.06624	0.8
216.12135	0.8
218.08215	2.0
222.11633	0.7
223.12355	4.5
224.09468	1.0
225.10301	6.4
225.13937	1.7
226.11020	5.6
227.11847	5.3
229.09760	1.6
229.13463	2.0
232.35802	0.6
234.11453	0.7
235.08839	1.4
235.12291	1.6
236.09558	2.3
237.10229	8.1
237.13995	0.9
238.11032	6.5
239.11790	9.2
240.12430	0.7
241.09839	0.9
241.13371	2.6
243.15012	0.9
245.12920	1.0
246.07600	3.3
248.09653	1.1
249.10255	5.9
250.10956	5.1
251.08176	1.8
251.11835	14.0
252.08946	1.3
252.12621	3.2
253.09853	2.8
253.13387	5.2
255.11397	4.2
256.12122	1.7
257.13016	2.1
259.14563	1.3
261.10248	1.2
262.11154	2.7
263.08063	2.0
263.11816	12.4
264.08694	3.3
264.12595	3.4
265.09808	8.6
265.13431	8.1
266.10556	3.9
267.11319	18.0
268.12097	2.7
269.12814	5.4
271.10831	2.4
271.14484	5.3
273.12424	2.8
275.11832	1.0
276.12592	0.8
277.09747	2.3
277.13315	1.3
278.10431	3.6
279.11279	29.5
280.12164	5.1
281.09668	1.3
281.12875	9.5
282.10202	1.5
282.13632	2.1
283.10873	5.4
283.14175	1.4
284.11548	11.7
285.12357	34.2
287.14008	3.0
289.15533	1.7
291.11255	13.4
292.12018	4.2
293.09528	1.5
293.12827	13.0
295.10901	4.3
295.14258	1.6
296.11569	6.9
297.12344	43.9
298.13080	2.9
299.13898	5.8
307.10925	3.4
309.12350	16.2
310.13126	2.8
311.10342	4.4
311.13998	5.8
312.10947	1.5
313.11938	2.3
314.13086	0.9
315.13919	0.9
319.10812	10.3
321.12366	12.4
323.10315	10.3
323.13800	1.0
324.10959	1.0
325.11874	19.6
325.15509	1.5
326.12494	0.9
327.13388	10.1
328.14453	0.8
330.16248	1.3
337.11844	47.0
338.12494	1.4
339.13440	5.3
341.11322	1.4
341.15082	1.1
342.16299	1.1
343.13132	2.5
344.17831	1.1
355.12903	2.2
357.14392	11.0
357.18240	0.9
358.15485	1.8
359.16220	1.7
367.12912	1.7
369.14450	5.1
370.15210	1.3
371.15927	2.2
372.17230	1.6
373.13953	1.5
384.17221	1.1
385.14020	3.1
386.18878	1.2
387.15323	1.0
388.16534	1.7
390.18240	2.0
392.19913	1.5
399.15656	2.9
400.16656	2.0
401.17569	1.3
402.18161	2.9
404.20065	4.1
406.17514	1.1
412.16614	1.6
414.18481	1.1
416.19873	1.7
418.17413	1.6
420.19360	1.1
421.20139	1.1
422.21021	2.9
424.16473	1.3
430.17679	7.0
432.19284	5.0
436.18903	1.3
442.17685	2.1
444.19272	2.1
446.21017	4.3
448.18689	19.4
449.19409	11.1
450.20142	11.6
460.18671	12.7
461.19266	1.9
462.20279	4.6
463.20813	1.9
472.18732	2.5
474.20285	3.8
476.18051	5.8
477.18954	6.6
478.19635	4.9
480.21588	2.4
487.17188	4.7
489.18683	0.9
490.19702	25.5
491.20383	2.3
492.21359	8.7
506.22787	1.1
519.19855	1.2
522.22278	13.6
523.23218	1.5
567.25769	1.4
585.27338	1.0
594.24609	2.3
595.25421	9.5
608.25745	1.6
611.24854	2.8
612.25348	2.8
613.26581	100.0
614.27179	5.1
634.24146	2.4
636.24896	0.9
640.24048	0.8
645.29144	15.3
652.25037	20.5
653.25848	7.6
654.26764	5.0
684.27692	12.3
685.28497	4.4
757.30457	1.0
775.31940	30.4
776.32050	1.2
807.34760	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	807.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03966	0.5
61.02935	0.6
65.03937	0.6
67.05496	1.2
69.03451	2.8
70.11433	1.0
79.05463	1.2
81.03438	1.0
82.06543	1.1
85.02907	3.6
91.05486	1.9
93.05808	1.1
93.07045	2.1
93.39590	0.5
94.06584	5.7
95.04990	0.6
95.07354	2.8
96.04504	0.6
96.08138	6.1
97.02911	1.8
98.20764	0.6
106.06560	3.2
107.07331	1.3
108.04512	0.8
108.08125	12.4
109.02866	1.1
110.09699	10.3
116.04955	0.7
120.04464	2.4
120.08114	9.3
120.08945	0.8
122.06039	10.5
122.09662	4.4
124.07597	5.5
127.03941	0.8
132.08096	1.0
134.06050	2.5
134.09605	0.9
136.07588	21.5
137.08334	0.9
138.05518	1.5
138.09148	18.0
142.34079	0.5
144.04475	3.2
144.08145	0.9
145.17281	0.5
146.06033	5.7
148.07581	15.0
148.08707	0.8
150.05527	0.7
150.09148	9.1
152.07071	17.8
154.08601	0.6
160.03946	1.7
160.07616	1.3
162.05537	1.8
164.07089	5.5
166.08655	40.6
167.09128	0.7
169.21030	0.5
172.03951	19.7
174.05507	1.9
174.09190	1.7
176.07071	2.1
177.60002	0.5
178.08698	0.6
182.08171	0.9
183.09203	0.8
184.09900	0.8
190.05013	15.5
194.08215	0.7
197.10851	1.7
198.11555	2.3
199.12303	0.9
202.96771	0.5
204.06570	27.5
207.09143	0.6
209.10715	1.3
210.09703	0.8
210.11501	3.9
211.12294	5.0
212.07439	0.6
212.09494	1.3
212.13092	2.0
213.10228	0.9
213.13812	0.9
218.08211	2.1
221.10727	0.6
222.11523	0.9
223.08418	0.6
223.12262	3.9
224.09451	1.1
224.13051	1.0
225.10269	6.1
225.13882	1.9
226.11012	3.5
227.11752	4.0
229.09860	0.8
229.13467	1.4
235.08675	1.4
235.12425	1.1
236.09497	1.7
236.13045	0.7
237.10258	7.0
237.13878	1.9
238.11006	6.6
239.11774	8.1
240.12666	0.8
241.09850	1.2
241.13391	1.5
242.10387	0.7
243.11343	0.7
245.12933	0.8
246.07610	1.8
248.09512	1.5
249.10217	7.1
250.10982	6.2
251.08337	1.6
251.11798	12.6
252.08905	1.3
252.12477	3.5
253.09801	2.0
253.13358	4.6
254.10608	0.6
255.11343	4.4
256.12103	2.2
257.12866	1.5
259.14529	1.0
261.10254	0.7
262.11124	2.3
263.08942	1.1
263.11816	17.0
264.09058	2.3
264.12640	3.9
265.09824	6.6
265.13434	10.0
266.10599	4.3
266.13171	0.8
267.11304	19.0
268.12128	1.7
269.12885	4.9
271.11075	1.3
271.14481	4.9
273.12384	3.7
275.11838	0.8
276.08774	0.8
277.09839	2.9
277.13138	1.0
278.10519	4.2
279.11288	25.8
279.14404	1.3
280.09207	0.7
280.12064	4.1
281.12881	10.6
282.10101	1.5
282.13547	1.2
283.10849	4.0
283.14404	1.0
284.11536	9.6
285.12360	32.0
286.12790	0.9
287.13998	2.3
289.15424	2.6
291.11298	13.9
292.12085	4.3
293.09225	2.2
293.12805	13.3
294.10254	0.8
294.13721	1.3
295.10822	3.1
295.13962	0.9
296.11572	5.4
297.12360	40.5
298.12988	2.5
299.13934	7.0
304.08600	1.2
305.09317	0.6
307.10812	2.9
308.11505	0.6
309.12341	19.6
310.13040	3.5
311.10315	5.0
311.13953	4.2
312.11151	0.6
313.11871	2.1
316.14471	0.9
319.10785	10.3
321.12378	9.7
323.10266	10.2
323.13959	0.6
324.11105	1.2
325.11850	21.1
326.12430	1.1
327.13409	8.0
328.14288	0.9
330.16092	1.1
335.13345	0.7
337.11823	50.4
338.12543	2.5
339.13504	5.2
340.13806	0.7
341.11407	1.2
341.15134	1.4
343.12875	2.9
344.17661	0.7
346.19324	0.9
351.13565	1.1
354.12466	0.6
355.13004	1.6
357.14539	10.1
358.15344	1.3
359.16049	1.7
362.18747	0.9
367.12949	1.4
369.14545	3.8
370.15378	1.6
371.16275	1.8
372.17313	1.6
373.14099	1.1
374.18420	0.8
376.20468	0.7
384.13248	0.9
385.14038	1.8
386.14688	0.8
388.16464	1.1
389.17490	0.7
390.18127	1.8
392.19962	1.0
399.15631	2.2
400.16534	2.7
401.17093	0.8
402.18216	2.7
403.18784	1.0
404.20029	3.2
405.19815	0.7
406.17499	1.1
412.16599	2.0
414.18118	1.1
416.19720	2.0
418.17700	2.1
418.22260	0.7
420.19104	0.8
421.20096	1.3
422.20776	2.1
424.16632	0.7
430.17493	6.0
431.18219	0.9
432.19305	6.3
436.18729	1.8
442.17780	2.3
444.19376	2.0
446.21094	2.8
448.18707	19.8
449.19434	11.1
450.20288	11.5
460.18713	12.3
461.19250	1.2
462.20337	4.3
463.21158	1.1
472.18436	2.7
474.20554	3.4
476.18274	4.7
477.18973	5.8
478.19547	3.4
480.21475	2.7
487.17081	5.5
489.18762	0.8
490.19736	32.1
491.20352	2.9
492.21310	6.6
502.20016	0.6
505.50479	0.6
519.19910	1.2
522.22363	9.8
523.23096	1.5
536.47546	0.6
585.27643	0.6
594.24622	2.3
595.25641	8.1
608.26117	1.3
611.24530	2.9
612.25287	3.7
613.26587	100.0
614.26917	4.1
634.23956	1.9
636.25391	1.8
645.29175	13.9
646.29535	1.1
652.25067	22.7
653.25745	6.4
654.26514	3.8
684.27698	6.9
685.28937	3.9
757.30408	1.3
775.31946	25.3
776.31427	1.2
807.34113	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	806.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	6.1
57.03675	1.7
57.07087	1.8
65.03941	2.4
67.05512	31.9
69.07072	12.2
69.47145	9.4
71.04995	1.4
77.24393	1.2
79.05492	25.6
81.03415	2.0
81.06599	2.5
81.07064	43.3
83.04996	2.6
83.08604	5.8
83.78542	1.3
85.06534	1.5
91.05492	28.3
93.06497	2.0
93.07052	31.1
95.01320	2.6
95.04953	4.9
95.08611	22.2
97.06532	6.1
97.10191	2.2
105.07039	26.9
107.04957	4.7
107.08601	13.5
109.06515	4.7
109.10149	8.5
111.08071	2.3
117.07014	6.8
119.08593	18.2
121.10149	9.4
123.08083	2.6
123.11690	1.7
125.09586	1.4
129.07014	1.9
131.08566	10.7
133.10150	17.8
135.11676	5.0
137.09584	2.2
143.08624	2.5
145.10156	8.0
147.11696	7.1
149.09557	1.6
149.13252	3.1
159.11685	4.5
161.13266	3.8
171.11563	1.7
173.13292	2.6
179.14316	3.8
184.07347	6.0
187.14732	1.6
219.17470	26.0
220.17839	1.6
257.19052	2.3
275.20090	22.5
293.21078	1.7
322.47629	1.5
335.25833	66.1
349.23715	16.2
609.45209	100.0
610.45135	3.2
651.03522	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	18.8
59.05004	1.9
61.01649	1.5
61.02922	2.2
65.03943	3.8
65.32687	1.3
66.04681	1.4
67.05512	70.4
69.03430	9.1
69.07081	28.4
70.82977	3.4
71.01374	3.5
71.04996	10.6
73.02904	1.4
79.05502	59.7
81.03427	100.0
81.07066	67.9
83.04984	14.7
83.08627	36.7
85.02918	6.0
85.06534	4.8
87.04466	1.6
91.05489	54.6
93.07053	50.0
95.04976	34.7
95.08621	30.8
97.02923	7.3
97.06538	17.6
97.10180	21.7
99.08137	1.7
103.05455	1.8
105.03429	1.4
105.07040	44.5
107.04976	18.0
107.08607	40.0
109.02869	2.4
109.06554	10.6
109.10173	21.1
111.04438	3.7
111.08080	9.7
115.05465	4.5
116.06300	1.6
117.07022	18.7
119.04939	1.4
119.08592	32.2
121.02863	1.5
121.06516	9.0
121.10163	23.2
123.04428	3.6
123.08077	6.7
123.11684	4.0
125.02366	2.4
125.09652	18.1
127.03904	1.9
127.07531	1.7
129.07024	20.2
130.07823	1.6
131.04890	2.4
131.08583	29.3
133.06506	4.8
133.09238	2.4
133.10158	25.4
133.51726	1.4
135.04420	2.9
135.08066	8.3
135.11711	13.6
136.05212	1.9
137.06017	3.6
137.09605	6.1
141.06999	3.6
142.07857	3.6
143.08591	6.1
145.06499	9.6
145.10168	18.1
147.08028	7.4
147.11705	22.1
147.12782	1.8
149.09639	14.7
149.13264	7.8
151.03818	1.9
151.07562	51.3
151.11169	3.5
152.07903	10.5
153.09120	2.3
155.03450	3.2
155.08571	4.8
155.10587	2.0
156.96944	1.5
157.06540	2.7
157.10162	14.5
159.08078	4.6
159.11716	11.8
161.05963	2.4
161.09663	5.4
161.13315	2.9
163.11177	9.2
165.12834	4.1
169.10130	3.6
171.08073	3.2
171.10344	2.0
171.11740	5.1
172.08879	2.8
173.04442	1.5
173.06000	3.2
173.09570	3.7
173.11906	2.0
173.13353	4.1
174.06790	2.9
175.07556	2.8
175.11220	12.6
177.12799	5.8
181.12303	3.0
183.11726	5.3
185.09628	1.9
185.13271	3.8
187.07472	2.6
187.11232	2.0
187.14714	1.9
188.08260	3.9
189.09131	19.1
189.11232	9.5
189.12759	2.4
190.09543	6.1
191.10742	2.9
193.12271	22.0
195.11629	2.2
196.08829	2.1
197.09531	1.9
197.13318	3.5
199.11238	2.1
199.14893	2.2
201.09148	2.0
201.12923	2.6
202.09811	3.1
203.10657	5.9
203.81778	1.6
211.13284	3.9
213.09116	2.4
214.09552	2.4
217.15913	1.9
219.10223	4.1
223.11307	1.7
223.13347	3.5
225.14809	2.1
227.10674	4.6
227.12822	14.4
228.11186	1.6
229.14403	5.5
229.19612	2.0
231.10185	9.6
232.10643	3.5
232.41481	1.4
233.15323	2.2
247.20729	1.6
249.11270	5.7
249.14993	5.8
250.11777	2.0
253.14403	3.2
255.15845	10.0
257.19009	5.3
267.15933	92.1
269.17529	24.4
273.14990	1.5
273.18512	3.6
275.20096	23.9
275.22858	2.7
291.19614	9.9
293.21149	3.2
297.22198	2.2
299.19989	2.0
317.21268	2.5
319.15576	1.7
329.21317	1.7
331.22626	1.8
337.10864	1.9
349.23813	25.1
357.13440	1.9
358.13470	2.3
365.23184	3.4
367.24597	4.5
369.24225	4.5
385.12836	3.2
387.25186	2.7
419.24072	3.2
421.26102	7.5
429.26437	2.5
431.29361	2.2
435.27567	2.3
437.25183	3.4
443.27975	9.3
447.27380	33.3
449.30585	3.9
459.27811	1.9
461.29053	87.5
467.31613	5.3
477.27884	2.6
479.30127	2.2
485.32715	2.7
493.31625	13.7
501.31985	3.8
511.28534	2.2
515.60431	1.9
519.33234	4.6
523.34351	3.0
541.35315	69.0
542.35364	3.0
559.36407	26.2
573.37781	2.8
583.36096	2.0
591.38373	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	805.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.6
57.06565	0.4
67.05491	0.8
69.03420	1.8
70.06586	0.4
70.68285	0.6
70.68623	0.8
79.05507	0.5
80.05008	0.5
81.03439	0.7
81.05820	0.4
81.07013	0.5
82.06578	0.5
85.02900	1.8
91.05469	0.8
93.05789	0.5
93.07037	1.3
94.06580	2.2
95.07357	1.5
96.08134	4.4
97.02895	0.9
97.06532	0.5
105.07067	0.5
108.08121	4.8
109.02848	0.5
110.09005	0.6
110.09697	6.9
120.08125	5.0
122.06054	3.0
122.09690	1.1
124.07590	0.9
134.06049	0.6
136.07593	7.0
138.09155	8.8
144.08142	0.6
148.07607	3.2
150.09123	2.4
151.03928	0.4
152.07011	0.8
164.07086	0.6
166.08655	13.3
167.07092	0.7
177.05394	0.5
195.43495	0.4
204.10153	0.5
221.10780	0.7
222.11551	0.4
223.08527	0.4
225.10327	0.7
233.10672	0.5
235.08620	2.7
235.12302	1.0
236.09500	1.3
237.10257	5.9
237.13954	0.6
238.11012	4.1
239.11844	3.4
247.08652	2.3
248.09554	3.3
249.10280	9.9
250.11061	10.5
251.11787	8.6
252.12648	1.3
253.09787	1.1
253.13217	0.6
255.11411	0.8
261.10260	4.5
262.11029	4.5
263.11826	27.0
264.09079	1.8
264.12585	2.6
265.09793	4.8
265.13373	4.6
266.10583	1.3
267.11368	2.2
269.12845	0.5
275.11859	0.7
277.09781	4.1
278.10489	3.0
279.11307	21.6
280.12015	1.1
281.12894	3.5
282.10083	1.6
283.10883	1.7
285.12390	0.8
289.09760	2.8
290.10513	0.8
291.11288	13.2
291.14468	0.9
292.12088	2.6
293.09323	1.1
293.12900	5.2
294.10110	0.7
294.13443	0.5
295.10831	3.0
295.14093	0.7
296.11646	2.0
297.12289	3.0
298.13235	0.6
305.09271	0.8
307.10748	7.7
307.14124	0.6
309.12375	12.8
311.13934	2.6
317.09351	0.9
319.10809	4.6
321.12418	0.9
323.10263	2.8
323.14020	4.1
325.11868	4.6
326.12708	0.5
327.13522	0.8
328.14413	1.4
335.10294	4.9
336.11127	2.8
337.11841	33.0
339.13474	1.6
341.15494	0.6
342.16168	1.1
351.13620	0.5
354.16251	0.9
355.12878	10.8
356.13760	2.0
357.14465	23.0
358.15332	0.9
367.12878	13.3
368.13797	2.8
369.14490	17.5
369.19119	0.9
370.15488	2.7
372.17273	0.6
375.19647	0.7
384.17181	0.7
388.16895	0.5
398.19208	0.6
401.17178	0.6
402.18396	0.9
403.18848	4.8
416.20157	0.8
426.18127	0.7
432.19540	0.7
442.17975	1.1
444.19208	1.9
447.17709	0.8
449.18951	0.5
458.16928	0.6
460.18774	2.3
462.19986	0.5
470.16837	0.6
472.18777	1.0
476.22189	2.1
478.19748	1.4
488.18234	2.6
489.19031	0.6
490.19815	9.7
490.26895	0.5
492.21661	2.1
494.22968	0.9
502.19806	1.9
504.21375	2.3
520.20844	37.9
521.21643	7.7
522.22406	100.0
523.22693	3.8
593.24182	0.8
611.25146	1.9
625.26813	2.3
643.27673	7.3
650.23700	0.7
652.25397	2.4
682.25989	4.4
683.26556	2.4
684.27643	18.0
685.28137	0.8
687.70605	0.4
805.32782	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.6
61.02896	0.3
65.03925	0.7
67.05466	0.9
69.03428	1.8
69.54642	2.1
73.02908	0.6
75.18178	0.3
79.05475	0.9
80.05001	0.6
81.03394	1.2
81.07053	0.4
82.06556	0.8
85.02913	3.0
87.04425	0.5
89.03838	0.4
91.05443	1.3
92.04987	0.6
93.05775	0.4
93.07040	1.7
94.06567	4.4
95.07348	1.7
96.08130	4.6
97.02874	1.5
103.05423	0.6
106.06534	1.2
107.07289	0.6
108.04482	2.2
108.07448	0.4
108.08129	7.6
109.02893	0.4
110.06050	0.5
110.09018	0.4
110.09696	7.0
116.04976	2.1
118.06501	0.8
120.04457	3.6
120.08107	6.4
122.06036	5.9
122.09666	0.9
122.84949	0.3
124.07598	5.8
127.03877	0.9
132.04469	0.6
132.08058	0.6
134.06021	2.8
136.07587	10.1
138.05504	0.4
138.08134	0.6
138.09151	9.2
144.04449	4.2
146.06006	6.0
148.03943	0.3
148.07593	4.0
150.05521	0.4
150.09164	1.7
152.07050	2.1
152.89758	0.3
156.08162	0.4
160.03931	3.4
162.05537	3.6
164.07082	1.8
166.08655	17.0
167.07121	0.6
172.03941	24.7
172.07576	0.9
174.05487	2.2
176.07071	2.9
178.04987	0.7
182.09662	0.9
183.09135	0.5
184.07655	0.4
184.09903	0.5
185.10677	0.6
186.05534	0.5
186.09137	0.8
187.08655	0.4
190.05005	19.2
192.06508	0.5
195.09158	0.5
196.09904	0.7
197.06985	0.4
197.10719	1.7
198.11487	0.5
199.08664	0.6
199.12343	1.7
201.10271	0.4
204.06573	43.1
207.09114	0.5
209.10786	1.1
210.09164	1.2
210.11491	0.6
211.08717	3.1
211.12228	0.6
212.09349	2.1
213.10233	0.8
214.10851	0.4
215.11766	0.5
221.10634	0.5
223.08630	0.6
223.12312	1.4
224.09483	1.0
225.10231	10.1
226.10915	1.0
227.08350	0.5
227.11800	13.3
229.13400	0.4
233.10794	0.8
235.08694	0.5
236.09486	1.6
237.10234	3.1
238.10918	2.0
239.11864	3.7
241.09764	1.9
241.13387	1.5
243.11346	0.5
245.12827	0.8
248.09465	0.5
249.10275	2.0
250.11035	0.9
251.08194	1.0
251.11813	3.3
252.08960	1.2
252.12485	0.5
253.09737	6.1
253.13380	0.6
254.10481	0.6
255.11246	1.9
257.12982	0.7
263.08224	1.5
263.11951	0.5
264.08957	3.2
265.09662	2.1
266.10596	1.2
267.11288	2.8
268.08536	0.5
269.12869	15.9
270.10037	0.9
271.10779	9.9
271.14005	0.5
273.12329	3.8
275.11728	0.4
277.09750	2.2
278.10498	0.8
279.11270	4.4
280.12009	0.5
281.09268	0.7
281.12839	1.5
282.10144	0.4
283.10748	4.7
284.11557	5.6
285.12344	5.8
286.13235	1.2
287.13934	13.7
288.14349	0.4
291.11142	0.4
293.09280	0.6
294.10104	0.8
295.10718	2.1
296.11374	0.6
297.12360	9.4
298.13354	0.4
299.11194	0.5
299.14017	4.3
300.11475	0.5
302.12872	0.8
305.09116	0.7
307.10797	2.4
308.11337	0.4
309.12305	0.8
311.10446	0.8
311.14252	0.5
312.15021	1.4
313.12897	1.2
314.13010	2.1
314.16461	0.5
315.13675	1.4
315.17795	0.3
316.10983	0.8
316.14526	1.4
317.15222	0.9
319.10822	0.4
321.08688	0.8
321.12314	0.7
323.10233	7.4
325.11838	20.3
326.12793	1.1
326.16583	1.7
327.13583	2.9
327.17444	1.7
328.10803	3.0
328.14490	2.5
329.11615	0.8
329.15213	1.6
330.12323	1.0
330.16129	1.9
331.13397	0.4
331.16800	2.1
334.09122	0.7
337.12012	0.5
338.13177	0.5
339.13574	1.5
340.14575	0.7
341.11682	1.2
341.15536	1.0
342.12405	6.7
342.16125	1.1
343.13120	6.0
344.13889	1.3
344.17725	0.5
352.14633	0.6
353.12170	0.6
354.12448	1.1
354.16125	1.0
355.13126	1.7
355.17416	0.5
356.05020	0.4
356.13940	6.7
356.17908	0.6
357.14496	22.8
358.15503	4.0
359.16391	0.5
365.11365	1.3
366.16168	0.6
367.13553	0.5
368.10129	0.5
368.14136	0.6
368.17978	0.4
369.10849	0.5
369.15295	0.6
370.11636	0.9
370.15622	4.6
371.16562	1.0
372.17502	1.8
374.18832	0.4
376.16736	0.9
378.18170	1.9
380.14166	1.6
382.11798	3.8
382.15948	0.3
383.12576	2.9
384.13245	4.5
384.16913	0.6
385.14178	2.5
386.14148	1.7
386.19125	3.1
387.15860	0.8
388.16632	1.1
389.13583	0.4
390.18170	4.2
394.15521	1.1
396.17575	0.8
397.14758	1.2
398.15005	21.4
399.15802	30.4
400.16559	2.1
401.13766	0.6
402.18280	1.8
404.16052	6.9
412.16711	2.3
414.18234	4.6
415.16293	0.5
416.16064	18.9
417.16354	0.5
418.17712	0.5
422.16858	1.8
428.16064	4.1
430.17679	3.9
440.16086	7.7
443.15045	0.7
446.17169	8.7
458.17133	26.9
459.17529	1.4
460.18607	0.6
469.16296	1.0
472.18802	0.5
478.19833	1.7
487.17188	10.1
489.19046	0.4
490.19763	9.8
491.20261	0.4
519.19940	1.3
523.23859	0.7
539.26373	1.0
541.24445	1.3
551.23181	1.0
565.24548	1.3
567.26379	1.0
569.23950	4.5
575.22858	0.6
583.25348	1.0
593.23828	5.0
611.25043	100.0
612.25427	3.1
625.26245	0.7
643.27655	22.6
644.27765	0.7
727.29266	0.5
731.29327	0.6
737.28552	0.5
745.30835	1.0
755.28967	1.3
773.30273	32.1
774.30157	1.4
805.32721	2.9
806.31989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.33
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	0.5
65.03928	0.9
68.23397	0.5
69.03419	1.7
69.35272	4.2
70.06572	1.0
79.05476	1.7
80.04996	0.7
81.03436	0.9
81.07084	0.7
85.02886	1.9
89.03909	1.2
91.05465	1.6
93.05770	0.7
93.07047	1.8
94.06572	4.6
95.07339	1.7
96.08144	4.1
97.02865	1.7
97.06532	0.7
103.05422	0.8
105.06973	0.7
106.06561	0.8
108.04445	1.8
108.08125	7.4
110.09700	6.3
116.04974	2.6
118.06544	0.7
120.04454	2.6
120.08117	6.5
122.06058	5.4
122.09673	0.7
124.07583	2.0
127.03905	0.7
131.04941	0.7
134.06010	3.2
136.07582	9.2
138.09152	8.8
144.03429	0.7
144.04466	6.6
144.08058	0.7
146.06007	4.1
147.04379	0.8
148.07632	3.7
150.09079	0.9
151.03973	0.8
152.07033	1.3
160.03957	3.0
162.05534	5.0
164.07066	1.7
166.08644	14.9
167.07066	1.9
172.03949	49.3
173.04352	0.8
174.05550	1.9
176.07126	3.5
177.05470	0.9
186.09190	0.8
190.05000	12.2
196.09959	0.7
197.10754	1.8
199.12282	1.4
204.06581	100.0
205.06998	0.7
207.06590	1.1
209.10768	0.7
210.09146	2.0
210.11292	0.6
211.08714	2.9
211.12247	0.8
212.09471	1.7
213.10252	0.8
224.09444	1.6
225.10263	7.7
226.10957	1.6
227.11818	13.0
229.13248	0.6
236.09422	2.2
237.10266	2.3
238.10965	1.4
239.11761	4.0
241.09721	1.6
241.13353	1.4
243.11313	1.0
245.12958	0.6
249.10287	1.5
251.08031	0.7
251.11835	2.6
252.08926	1.0
253.09796	5.3
255.11429	1.2
257.12845	0.9
263.08362	0.7
264.09048	2.2
265.09741	1.5
266.10382	1.3
267.11279	2.2
269.12891	9.8
271.10822	8.5
271.13953	0.8
272.99585	0.7
273.12350	3.1
277.09805	1.5
279.11362	3.2
281.09348	1.2
281.12628	1.1
283.10742	4.3
284.11578	5.7
285.12424	4.0
286.13086	1.2
287.13910	21.1
295.10858	1.9
296.11664	0.8
297.12329	7.9
298.10965	0.8
299.13922	3.2
307.10715	1.5
311.10001	1.0
311.14246	1.2
312.14972	1.7
313.12427	1.3
314.12976	1.8
315.13641	1.9
316.11041	1.4
316.14413	1.3
317.15506	0.8
321.08725	0.8
321.12357	0.8
323.10214	5.9
325.11841	11.2
326.16522	1.1
327.13675	1.9
327.17328	1.6
328.10895	2.5
328.14667	1.6
329.15207	2.2
330.16098	1.8
331.16855	1.4
336.44489	0.6
339.13678	1.7
340.14603	1.2
341.11697	1.3
342.12326	6.0
342.15768	0.9
343.13266	3.3
344.13861	1.4
344.17715	1.0
352.14667	0.8
353.12640	1.0
354.12454	0.9
355.13492	1.0
356.13913	6.0
357.14490	49.8
358.15524	3.5
367.13327	1.4
368.17712	0.7
370.11624	0.7
370.15646	3.1
371.16403	1.2
372.17239	0.8
378.18076	1.3
380.14032	0.9
382.11826	3.1
383.12750	2.2
384.13199	3.4
385.14224	1.6
386.14890	1.8
386.19098	2.9
388.16620	0.9
390.18188	3.6
394.15512	0.9
396.17288	1.2
397.15076	1.2
398.15009	19.8
399.15811	27.3
400.16644	2.5
401.13568	0.7
402.18103	1.5
404.16046	5.4
404.20596	0.7
405.16202	0.7
412.16599	1.6
414.18271	4.6
415.16458	0.8
416.16092	16.3
417.16077	1.1
422.17032	1.3
428.16180	2.2
430.17633	3.3
440.16113	7.3
446.16922	6.2
447.17166	0.6
458.17148	22.2
459.17300	1.1
478.19846	2.8
487.17245	1.1
490.19815	12.1
519.19562	0.9
541.24628	0.8
565.24054	1.1
567.25806	1.1
569.24103	4.2
583.25745	1.4
593.24066	3.0
611.25061	95.4
612.25397	4.1
619.13239	0.7
625.26947	0.8
643.27686	70.1
644.28040	2.1
773.30206	10.1
805.32507	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76643	0.3
57.03439	0.4
65.03965	0.6
67.05505	1.3
67.81345	0.3
68.99796	0.8
69.03442	0.5
70.76936	0.7
70.77276	0.3
79.05501	1.4
80.06253	0.3
81.03422	12.3
81.07051	0.7
81.56364	0.2
83.01355	0.4
83.04980	0.9
85.02901	0.4
87.36640	0.3
91.05488	2.8
92.99065	0.3
93.03397	0.4
93.07072	0.4
95.04966	1.3
97.02896	2.4
105.03407	1.1
105.07024	1.4
107.04963	3.9
107.08619	0.6
108.05761	1.2
109.02895	0.8
109.06529	0.6
111.04479	1.1
115.05463	1.3
116.06264	0.4
117.07062	1.4
119.04918	0.3
121.02866	0.7
121.05778	0.2
121.06518	1.7
122.07292	0.3
123.04452	1.0
125.02349	5.4
128.06213	1.5
129.06982	1.9
131.04910	1.0
131.08559	0.8
132.05673	0.3
133.06555	0.7
135.04407	2.7
136.05211	1.9
137.02357	0.4
137.05971	3.4
138.06778	0.5
141.06999	0.5
143.04959	0.8
143.08566	0.9
144.05717	1.2
145.06480	7.8
146.07277	1.8
147.04436	0.5
147.08008	0.6
148.05183	0.5
148.75591	0.3
149.02328	0.4
149.05998	0.7
151.04121	2.2
151.07550	100.0
152.06277	0.4
152.07910	0.7
153.07028	0.3
155.03398	5.3
155.06041	0.4
156.05716	0.6
157.06471	2.2
158.07275	2.4
159.04420	1.1
159.08064	4.2
160.05225	1.0
160.08842	1.7
161.06009	2.4
162.06841	0.4
163.03922	0.5
163.07600	0.4
165.05530	1.0
165.07013	0.8
166.06345	1.4
167.03426	1.3
167.07196	0.4
167.08560	0.7
169.06514	0.8
171.08054	2.3
172.08836	6.1
173.05995	3.5
174.06769	4.7
175.03964	0.6
175.07547	4.1
176.08348	3.6
177.09097	2.9
178.07648	0.3
179.03374	1.3
179.08661	0.3
181.06512	1.6
181.08621	3.3
182.07281	0.7
183.08084	1.6
184.48442	0.3
185.05971	0.7
186.06805	0.3
187.07553	3.9
188.08339	9.3
189.05478	1.0
189.09117	43.2
190.09642	0.6
191.03410	0.4
191.07042	0.5
191.08670	0.5
191.10690	2.2
194.07350	0.4
195.06476	0.5
195.08069	1.3
196.08861	5.2
197.05959	0.4
198.06830	0.8
199.07561	0.7
200.08374	1.9
201.05447	1.0
201.09106	6.4
202.09909	5.4
203.07054	0.8
203.10678	13.2
204.07854	1.5
205.08641	1.0
208.08807	0.5
209.06140	0.4
209.09596	0.8
210.10431	0.6
211.07562	1.0
212.08347	2.3
213.09134	5.2
214.09915	0.4
215.07045	0.6
215.10741	1.1
216.07788	1.6
217.08640	1.0
218.07388	0.4
218.09338	0.6
219.08212	0.8
219.10162	18.2
220.07216	0.4
221.09727	0.6
221.11700	0.7
222.10347	0.4
223.07620	0.4
224.08325	0.9
225.09126	1.2
226.09885	2.3
227.10698	7.1
227.12907	0.5
229.08549	0.4
230.09387	0.3
231.10178	22.3
232.10699	0.5
233.08029	0.8
233.09909	0.4
234.06772	0.5
234.10454	0.8
235.07559	0.9
236.08340	0.6
237.09026	0.6
238.09901	0.8
239.10692	1.3
240.07779	0.6
241.08514	0.5
241.12238	1.2
242.09366	0.5
243.10257	0.7
247.09769	0.4
248.08211	0.5
248.10574	0.3
249.09134	0.5
249.11247	12.5
250.09850	0.7
251.10570	0.3
252.11452	0.5
253.08594	0.4
253.12247	0.7
254.09410	0.5
255.10162	1.0
261.09076	0.4
263.06802	0.4
263.10721	1.7
265.08658	0.5
265.12149	0.8
267.10123	1.1
269.11707	0.8
270.12469	1.5
275.10648	0.5
277.08615	0.8
278.09402	0.9
279.09946	0.7
279.12634	0.4
280.10788	0.5
281.11826	1.4
283.09897	0.4
283.13254	0.6
291.10165	1.0
293.11801	1.3
295.09662	0.4
297.10965	0.4
306.08936	0.3
307.09464	0.5
308.10318	0.4
309.11237	4.9
311.12778	1.2
319.09488	0.9
321.11179	0.6
325.10629	0.7
327.12201	1.2
337.10754	2.6
339.12198	1.4
355.11823	2.5
355.15707	0.5
356.12589	0.5
357.13315	6.7
367.11652	1.1
373.12759	0.6
385.12778	7.2
401.15994	1.0
403.13687	0.5
571.97052	0.3
639.18170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.4
65.06535	0.1
67.05499	0.3
68.99795	0.5
69.03432	0.3
75.09397	0.1
77.03922	0.2
78.04689	0.2
79.05506	0.9
80.06285	0.2
81.03425	11.2
83.01311	0.2
83.04984	1.0
85.02895	0.3
90.04733	0.2
91.05478	2.2
93.03405	0.3
95.04963	0.7
97.02887	1.5
103.05490	1.2
105.03397	0.6
105.04543	0.2
105.07013	0.8
106.04179	0.3
107.04961	3.8
108.05766	1.4
109.02885	0.4
109.06516	0.3
111.04462	1.0
115.05449	1.0
115.81125	0.2
116.06220	0.2
117.07036	1.0
118.04174	0.3
119.04977	0.3
121.02840	0.4
121.06511	1.2
122.07351	0.3
123.04452	0.4
125.02361	3.9
128.06195	1.2
129.07021	1.2
130.04221	0.2
131.04921	2.1
131.08577	0.5
132.05687	0.3
133.02861	0.2
133.06494	1.0
135.04431	2.0
136.05208	2.3
137.02275	0.4
137.05975	1.3
138.06766	0.5
138.71432	0.2
139.03891	0.4
139.07555	0.2
141.01833	0.2
141.06995	0.8
142.07857	0.2
143.04941	0.6
143.08577	0.7
144.05684	0.9
145.06490	5.1
146.07280	1.3
147.08044	0.4
148.05219	0.6
149.02374	0.4
149.05992	0.4
151.07552	100.0
152.06256	0.3
152.07893	0.7
153.06981	0.3
155.03412	3.9
155.04724	0.2
155.07042	0.2
156.05637	0.4
157.06494	1.9
158.07288	1.9
159.04414	0.7
159.08067	2.5
160.05173	0.6
160.08879	1.1
161.05986	1.8
162.06819	0.5
163.07562	1.0
165.05507	3.7
165.06870	0.4
165.09138	0.3
166.06288	0.2
166.07745	0.2
167.03375	0.9
167.07069	1.0
167.08496	0.3
169.06512	0.4
171.08058	2.0
172.05310	0.2
172.08846	4.3
173.05997	3.3
173.09572	0.2
174.06783	5.5
175.03899	0.4
175.07576	2.5
176.08336	2.7
177.09116	2.7
179.03404	0.3
179.08534	0.2
181.04948	0.5
181.06519	0.9
181.08591	0.8
181.09991	0.2
182.07306	0.9
183.02890	0.3
183.08034	0.6
184.08792	0.2
185.06050	0.4
186.06761	0.4
187.07556	2.7
188.07022	0.1
188.08336	7.2
189.09119	33.8
190.06226	0.5
190.07846	0.4
190.09613	0.5
191.07030	3.3
191.08801	0.3
191.10646	1.6
194.07336	0.3
195.06543	0.2
195.08038	0.8
196.08850	3.7
197.05960	0.4
197.09570	0.2
198.06787	0.7
199.07561	0.6
200.08324	1.3
201.05446	0.3
201.09119	6.0
202.09903	3.8
203.07082	0.8
203.10672	9.7
204.07843	0.5
205.06755	0.3
205.08620	1.7
207.08032	0.3
208.08919	0.3
209.09708	0.4
210.10342	0.4
211.07529	1.0
212.08298	1.1
213.09128	3.3
214.09949	0.3
215.06972	0.4
215.10690	0.7
216.07791	1.1
217.08554	1.0
218.07326	0.3
218.09296	0.4
219.08241	0.7
219.10164	15.2
221.09590	0.5
221.11705	0.4
222.10439	0.4
223.07538	0.3
224.08392	0.5
225.09030	0.9
226.09927	1.4
227.10670	5.3
228.11134	0.3
229.08665	0.7
231.10178	15.4
233.07863	0.3
233.09857	0.2
234.10414	0.6
235.07533	0.5
235.09756	0.3
236.08272	0.2
237.09113	0.2
238.09952	0.5
239.10692	1.0
240.11327	0.2
241.08527	0.5
241.12227	0.7
242.12865	0.2
243.10146	0.4
247.09767	0.3
248.08287	0.4
249.09132	0.4
249.11247	11.0
250.09872	0.6
251.10739	0.6
252.11488	0.3
253.08755	0.3
253.12231	0.5
254.09390	0.3
255.10106	0.9
257.11902	0.4
261.09085	0.4
262.09915	0.3
263.06982	0.4
263.11011	0.8
264.11557	0.3
264.27112	0.2
265.08566	0.4
265.12259	0.6
266.09375	0.3
267.10110	0.6
268.10828	0.2
269.09146	0.2
269.11636	1.0
270.12543	1.2
271.09589	0.2
277.08612	0.4
278.09293	0.5
279.10043	0.4
280.11118	0.2
281.11871	0.9
283.09653	0.3
283.13336	0.2
291.10345	0.8
293.08298	0.3
293.11743	0.6
294.08917	0.2
295.09595	0.5
295.13043	0.2
297.11298	0.4
299.09262	0.3
299.12714	0.4
307.09634	0.3
308.10474	0.2
309.11194	2.9
311.12851	0.8
313.10693	0.3
319.09604	0.4
321.11182	0.2
323.08749	0.2
323.12576	0.4
325.10690	0.6
327.12296	0.8
337.10666	1.6
339.12299	0.9
341.13858	0.2
355.11765	1.7
355.15591	0.3
357.13361	6.0
367.11600	0.8
367.15533	0.3
373.12955	0.3
383.14700	0.2
385.12762	4.3
401.15948	1.6
403.13641	0.2
649.46387	0.2
692.46466	0.2
703.23212	0.2
783.29370	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	0.9
66.04718	0.5
67.05507	1.7
68.99796	0.8
69.03432	0.8
70.06603	1.0
76.09515	0.4
79.05512	1.9
81.03423	12.3
81.07063	0.9
83.04995	1.0
85.02927	0.6
86.06060	0.4
86.75065	0.4
91.05487	2.6
93.07040	0.8
95.04974	0.9
97.02901	1.9
97.06551	0.5
103.05488	0.8
105.03379	0.5
105.07026	1.2
107.01279	0.5
107.04948	3.6
108.05755	1.8
109.02913	0.7
109.06553	0.5
109.10130	0.5
111.04449	1.3
115.05472	1.4
116.06320	0.5
116.07101	1.1
117.07038	1.5
121.02866	1.1
121.06525	1.4
121.10098	0.5
123.04441	0.8
125.02348	3.9
128.06241	1.6
129.06985	2.9
130.07750	0.5
131.04924	1.9
131.08595	1.5
132.05772	0.6
133.06485	0.9
133.10123	0.7
135.04445	2.4
136.05205	3.9
137.02345	1.5
137.06012	0.7
138.03137	0.5
138.06773	0.5
139.03947	0.7
139.07541	0.5
141.07028	0.9
143.08578	0.7
144.05722	1.4
145.06494	6.8
145.10214	0.4
146.07272	2.5
147.07997	0.5
149.02362	1.5
151.03944	1.4
151.07552	100.0
152.06197	0.5
152.07959	0.7
153.01846	0.9
153.06935	0.7
155.03407	4.0
156.05745	1.1
157.06487	3.8
158.07294	4.3
159.04405	2.7
159.08067	4.4
160.05199	1.1
160.08820	2.3
161.05975	3.5
162.06842	1.0
163.03896	0.8
163.11159	0.4
165.05479	1.4
165.06898	0.8
165.78453	0.5
167.03407	5.4
167.08562	0.5
168.80630	0.4
169.06500	0.8
170.07361	0.5
171.04382	0.7
171.08044	3.3
172.08836	10.2
173.05974	4.2
173.09563	0.4
174.06778	14.0
175.03969	1.3
175.07552	3.7
176.08340	4.7
177.09143	3.4
179.03413	1.6
179.07101	0.6
181.05067	0.6
181.06555	1.4
182.07265	0.7
183.08075	1.0
186.06831	1.0
187.03934	1.1
187.07550	4.3
188.08330	12.9
189.09116	68.1
190.09526	0.8
191.03378	0.8
191.07039	0.5
191.09048	0.6
191.10693	4.6
195.08109	1.2
196.08852	3.5
198.06778	1.2
199.07607	0.7
200.08278	2.4
201.09113	16.1
202.09901	6.9
203.03430	0.5
203.10667	21.4
204.04178	0.4
204.07829	1.0
205.04930	0.8
205.08498	0.6
207.08072	0.8
208.08765	0.6
209.09476	0.6
211.07532	1.5
212.08325	1.3
213.09117	4.6
215.06938	0.5
215.10638	1.2
216.07843	1.7
217.04955	1.2
217.08612	1.6
219.08203	1.0
219.10162	18.5
221.09691	0.7
221.11681	0.8
222.10481	0.6
223.07658	0.8
224.08406	0.5
225.09123	0.9
226.09923	1.7
227.10658	4.2
227.12714	0.6
229.08614	0.9
231.10173	26.4
232.10756	0.5
234.10510	0.5
235.07736	0.5
238.10057	0.6
239.10724	1.3
241.08696	0.5
241.12186	0.8
247.07544	0.8
247.09731	3.0
248.08347	0.9
249.09073	0.7
249.11234	16.4
250.09860	0.8
251.07089	0.7
251.10590	0.7
252.11346	0.6
253.12279	0.7
255.10257	1.5
263.07098	1.0
263.10779	0.8
264.07855	0.7
265.12149	0.7
267.10248	0.8
269.11679	0.8
270.12482	0.7
273.03772	0.9
277.08655	0.5
278.09360	0.8
279.10016	0.7
281.11783	1.2
291.10065	1.2
293.08002	1.0
293.11441	0.6
294.08871	0.4
295.09625	1.3
297.11206	0.7
307.09793	0.8
309.11209	4.2
311.12820	0.9
314.07852	0.5
319.09509	0.8
321.07526	0.5
321.11096	1.1
323.09076	0.6
325.10559	0.9
327.12064	0.7
337.07208	0.6
337.10654	2.4
338.11118	0.5
339.12305	1.3
349.10715	0.6
352.09210	0.4
353.10040	0.7
355.11890	2.8
357.13232	4.1
367.11798	2.8
385.12787	6.3
401.12103	0.7
403.13852	0.5
491.13370	0.9
553.32349	0.4
597.42773	0.4
619.17773	0.4
691.20789	0.7
709.21924	0.5
721.22565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	7.6
58.94559	0.6
65.03940	1.6
67.05514	21.9
69.03438	6.5
69.07072	17.7
69.50165	2.4
69.50599	2.4
70.06606	0.7
71.04988	2.6
72.60081	0.7
79.05502	25.3
81.03424	54.3
81.07066	18.9
83.04996	5.1
83.08624	16.1
85.02902	1.7
85.06548	1.2
91.05490	21.6
93.07050	17.5
95.04977	17.2
95.08607	10.1
97.02917	8.3
97.06521	3.4
97.10177	11.4
98.10457	0.8
99.08091	0.8
103.05499	1.2
105.04525	0.7
105.07037	18.5
107.04962	9.3
107.08595	12.4
109.02851	0.7
109.06529	4.2
109.10176	8.5
111.04458	2.3
111.08088	3.4
115.05424	1.3
117.07015	5.5
119.04927	1.1
119.08590	14.5
121.06551	5.6
121.10143	7.2
123.08107	3.7
123.11716	1.1
125.09637	10.9
128.06213	1.6
128.07069	1.1
129.06149	1.1
129.07011	7.8
131.04922	0.7
131.08582	11.4
133.06520	4.2
133.10150	10.1
135.04414	0.9
135.08043	3.8
135.11729	3.0
137.09673	2.4
142.07825	1.5
143.08569	2.7
145.06522	1.7
145.10123	5.4
147.08084	5.6
147.11702	5.4
149.09624	4.6
149.13258	1.1
151.07564	8.8
151.11180	1.7
155.08646	1.4
157.10159	8.2
159.08049	0.8
159.11728	2.7
161.09630	2.0
161.13266	0.7
163.11208	2.6
165.09146	1.2
165.12746	1.3
169.10037	1.2
171.10233	1.2
171.11661	1.4
172.05290	0.7
172.08694	0.7
173.09625	0.9
175.11191	6.6
177.12779	1.0
185.09650	0.9
185.13280	1.1
188.08351	0.9
189.09172	2.9
189.11244	1.8
189.12775	0.8
193.12265	12.2
193.13901	1.2
205.12234	2.9
211.13316	2.1
219.10295	2.2
219.13921	2.2
223.13310	14.0
227.12808	5.8
231.10182	1.0
245.19131	0.7
249.11398	1.9
249.14746	3.6
253.14334	4.4
255.17593	1.0
263.20142	1.0
267.15936	67.0
268.16437	0.9
273.18512	8.4
283.15567	0.8
291.19556	61.1
292.19888	1.5
313.21567	1.3
322.18539	0.7
347.22293	1.7
357.13245	0.9
365.23273	39.4
371.22461	0.8
385.13010	1.1
385.23849	1.2
419.24722	0.9
445.25989	6.6
459.27307	4.8
463.27133	1.1
465.30170	0.9
477.16953	0.8
477.28705	4.6
483.31110	2.0
539.33759	7.8
557.34790	100.0
558.35303	2.5
575.35669	1.2
599.36108	1.5
804.50116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
65.03936	0.7
66.72532	0.3
67.05508	6.0
68.17931	0.3
69.03443	1.6
69.07081	4.3
70.06584	0.4
71.04979	0.5
71.51800	0.6
73.01891	0.3
73.06577	0.3
79.05502	5.3
81.03426	21.7
81.07065	5.7
83.05001	1.8
83.08624	4.0
85.02902	0.6
85.06577	0.5
91.04973	0.6
91.05490	6.7
93.07039	4.3
95.04977	4.7
95.08616	3.0
97.02905	3.2
97.06555	0.6
97.10177	2.3
99.04494	0.4
103.05515	0.4
105.07037	4.4
107.04974	4.5
107.08600	2.5
108.05747	1.2
109.06530	1.5
109.10162	2.4
111.04448	1.4
111.08104	1.3
115.05429	1.1
117.07028	2.4
119.04967	0.7
119.08588	4.1
121.06532	1.6
121.10161	1.5
123.04440	0.9
123.08073	1.1
125.02377	3.2
125.09641	1.9
128.06261	1.0
129.07028	3.0
130.07718	0.5
131.04930	0.9
131.08583	2.9
133.06491	1.2
133.10141	2.1
134.07309	0.3
135.04425	5.3
135.08075	1.0
135.11714	0.8
136.05237	1.2
137.05995	1.3
137.09584	0.7
141.07063	0.3
142.07738	0.4
143.04935	0.7
143.08560	1.3
145.06502	4.6
145.10112	1.7
146.07240	1.0
147.08066	1.4
147.11713	1.8
149.02335	0.8
149.05937	0.4
149.09547	0.9
151.07556	100.0
152.07906	0.8
155.03392	4.4
157.06476	1.4
157.10144	1.7
158.07281	1.2
159.08069	2.4
159.11711	1.0
160.05266	0.3
160.08846	0.8
161.06000	1.5
161.09645	0.7
162.06667	0.4
163.11159	0.9
165.05487	0.9
165.06844	0.5
167.03406	1.2
169.06351	0.4
171.08051	1.9
172.08836	3.7
173.05991	2.9
174.06833	2.0
175.03879	0.5
175.07579	1.7
175.11171	0.9
176.08348	2.2
177.09142	1.4
177.12750	0.4
179.03452	0.7
181.06458	0.8
183.08020	0.5
185.06029	0.9
186.06766	0.4
187.07516	1.7
188.08345	5.1
189.09129	26.1
189.10965	1.0
190.09639	0.4
191.03464	0.5
191.10620	1.7
193.12286	2.6
196.08876	3.3
197.09570	0.5
198.06763	0.6
199.07385	0.6
200.08334	1.1
201.05464	0.5
201.09129	4.6
202.09898	3.5
203.07054	0.5
203.10680	8.2
205.08737	0.4
211.13264	0.4
212.08360	1.1
213.09052	3.3
215.10591	0.6
216.07962	0.5
219.10179	21.1
223.13287	4.3
224.08432	0.6
226.09955	1.4
227.10692	3.7
227.12851	1.8
229.08521	0.5
231.10193	13.6
234.10339	0.4
235.07724	0.6
239.10687	1.0
241.12221	0.7
248.08325	0.5
249.08733	0.8
249.11252	16.1
249.15070	0.8
250.09755	0.6
252.11429	0.5
253.12279	0.6
255.10216	0.8
257.11938	0.4
263.10651	0.6
265.12323	0.6
267.10193	0.7
267.15955	14.1
269.11856	1.1
270.12640	1.0
273.18573	1.7
278.09448	0.6
279.10037	0.4
281.11731	0.7
283.43594	0.4
291.10223	1.0
291.19571	15.9
293.11691	0.8
309.11215	3.2
311.12839	0.6
313.21332	0.4
315.17969	0.4
325.10748	0.6
327.12366	1.0
337.10822	2.2
339.12393	1.0
355.11737	3.6
357.13345	6.4
365.23297	9.9
367.11835	1.4
369.03043	0.4
373.12946	0.9
385.12811	11.9
386.13052	0.4
403.13947	1.7
413.03589	0.4
445.25821	0.9
459.27365	1.1
477.28644	1.4
483.30673	0.4
539.33643	1.4
557.34766	19.1
575.35791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	12.9
59.71206	2.0
67.05180	3.2
67.05513	45.0
69.03423	3.0
69.07079	7.4
71.04999	4.1
79.05505	30.8
79.85372	2.0
81.03426	58.0
81.07059	36.7
83.04984	3.2
83.08623	14.9
91.05497	18.7
93.07056	29.7
95.04984	14.7
95.08621	26.9
97.02898	3.4
97.06525	4.2
97.10181	3.4
105.07040	18.9
107.04974	4.6
107.08603	14.9
109.06522	4.8
109.10165	15.3
111.08120	4.4
117.07050	4.8
119.08590	14.6
121.06511	3.2
121.10155	13.0
123.11742	3.6
125.09657	3.1
129.07027	5.5
131.08600	13.7
133.06491	2.7
133.10153	12.1
135.11717	8.3
137.09590	2.4
137.88898	2.0
145.10168	2.8
147.07983	2.9
147.11711	10.5
149.09663	3.6
149.13261	3.5
157.10152	6.2
159.11751	4.1
161.13295	3.6
163.14864	2.4
171.11790	2.2
173.13271	4.0
175.11153	5.5
189.11197	2.6
193.12267	20.0
223.13081	3.1
227.12706	4.0
243.21211	4.2
261.22162	19.8
267.15948	100.0
268.16217	2.1
301.25293	3.2
317.24695	2.8
335.25842	87.4
417.31372	3.3
421.26486	2.3
427.82626	2.1
435.27237	2.9
435.32602	3.6
453.33475	6.1
471.34247	2.3
527.37402	58.2
528.37830	2.5
545.38440	48.1
546.38257	2.5
559.40521	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	801.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65665	1.2
65.80024	1.5
67.05502	2.7
68.99799	1.3
69.07066	2.2
69.83720	3.3
69.84109	3.1
79.05517	2.0
81.03424	13.1
81.07066	2.2
83.04966	3.7
85.02907	1.9
91.05488	3.9
95.04977	1.9
95.08600	1.6
105.07021	2.0
107.04965	2.9
115.05482	1.4
121.06494	1.5
123.04436	17.0
125.02369	5.9
128.06252	2.0
129.07014	3.9
131.04933	2.8
131.89345	1.3
133.06497	2.1
135.04417	3.9
135.08092	1.4
136.05237	2.6
137.02371	2.1
137.05980	1.6
139.03879	1.4
143.04932	2.2
144.05659	1.9
145.06500	10.5
146.07272	2.5
147.04385	1.8
151.03871	2.5
151.07556	100.0
155.03424	7.1
157.06509	3.5
158.07286	3.7
159.08101	7.2
160.05164	1.5
160.08823	2.6
161.06013	9.6
161.09674	1.4
165.05469	2.2
167.03381	3.1
171.08073	4.3
172.08865	6.9
173.06004	5.1
174.06752	6.5
175.07576	6.4
176.08311	9.3
177.09143	5.5
182.07344	2.1
185.06105	1.3
187.07562	3.9
188.08316	13.6
189.09120	49.5
191.07149	2.6
191.10692	4.7
196.08812	6.1
198.06784	1.4
199.07573	2.1
200.08394	1.4
201.09178	12.3
202.09872	6.9
203.07071	2.2
203.10661	22.0
211.07463	1.3
212.08348	2.1
213.09189	6.6
215.10593	2.4
219.10159	20.5
220.08971	1.4
224.08383	1.9
226.09912	1.8
227.10741	8.4
231.10210	26.3
235.07416	1.4
241.12387	1.6
243.10194	1.4
249.08887	1.2
249.11211	19.7
251.10715	2.0
265.12277	1.8
269.11890	1.4
273.29352	1.6
281.11816	1.9
293.08148	1.5
293.11679	2.6
299.12695	1.5
309.11197	4.7
311.12683	1.8
337.10822	3.2
339.12173	1.8
355.11554	4.0
357.13333	8.1
367.11890	3.1
385.12936	10.1
472.91135	1.6
591.22949	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.3
67.05503	3.9
68.88560	1.7
69.03432	2.0
69.07061	6.8
70.17362	7.3
79.05502	3.7
81.03429	9.7
81.07055	3.1
83.04978	2.9
91.05468	7.1
93.07046	3.8
95.04964	3.7
95.08558	2.0
98.20852	2.0
103.05463	6.5
105.07028	3.2
109.02856	3.2
109.06535	1.9
115.05450	16.7
117.06993	9.5
119.08670	1.7
119.59445	1.9
121.06524	2.0
122.03671	2.5
123.04444	5.2
125.06088	2.7
128.06224	10.9
129.07022	20.9
131.04944	16.8
131.08594	3.3
135.04427	50.3
137.02330	5.0
137.05988	42.3
137.06897	1.1
139.03902	2.3
141.07025	7.4
143.04927	6.0
143.08585	4.3
144.05727	3.1
145.06499	19.7
145.10114	4.1
147.04391	2.2
147.08081	2.1
149.02359	9.0
149.05986	13.3
151.03908	6.9
151.07553	6.6
153.06972	4.4
155.08575	3.3
157.06490	27.3
159.04443	5.6
159.08051	5.0
160.05206	4.1
161.06023	11.5
163.03937	9.2
163.07582	9.3
165.05559	3.9
165.06992	5.0
167.08545	3.1
169.06453	4.3
169.10149	4.2
171.04446	2.2
171.08104	4.6
172.05127	2.2
173.05995	100.0
173.09616	5.4
174.06760	3.4
175.07571	30.4
177.09099	7.6
178.07886	2.1
179.08563	4.7
181.06551	5.9
183.08075	6.6
184.07462	2.3
185.05988	32.6
186.06764	5.1
187.07562	40.5
187.11102	2.2
189.05440	4.2
189.07164	2.8
189.09036	12.3
193.06474	2.5
195.08113	6.6
197.05952	7.9
197.09644	4.3
199.07552	16.8
200.08302	2.5
201.05476	5.5
201.09143	10.6
203.07031	7.9
203.10670	21.0
205.08525	2.5
205.12308	9.5
209.05951	5.4
209.09566	2.1
210.06856	2.4
211.07652	8.7
211.11191	4.0
212.08278	3.4
213.05370	2.3
213.09145	5.9
215.07039	31.5
215.10538	2.6
217.08664	4.9
219.08118	4.3
219.10095	2.7
221.11803	2.3
223.07549	8.3
225.05495	6.6
225.09102	6.7
225.12799	1.9
226.06467	2.3
227.06998	7.1
227.10712	7.7
229.05051	2.8
229.08647	2.3
229.12279	5.4
231.06506	3.3
233.08115	6.4
235.07559	4.0
237.05453	2.4
237.09067	4.1
238.06204	1.9
239.07030	7.6
239.10674	3.5
241.12206	6.7
243.13838	4.0
245.08092	3.7
247.07484	5.3
249.09152	3.6
250.09988	2.4
251.07079	3.8
253.05084	2.6
253.12314	5.4
255.06473	4.2
255.13776	15.2
257.15344	3.9
263.06992	6.1
264.07919	2.4
265.08554	4.3
265.12280	4.2
267.06516	5.2
269.07986	3.2
271.13229	2.3
273.14890	3.2
275.07104	3.2
276.07947	2.5
277.08682	4.6
279.06644	2.8
281.08170	2.8
283.13165	11.2
285.14832	6.7
287.07269	2.8
291.06580	2.4
291.10159	2.6
293.08102	5.6
295.09494	2.3
301.14423	3.2
305.07916	5.1
307.09662	2.9
321.07553	5.1
323.12759	6.7
335.08710	2.4
351.08762	2.9
463.11618	2.8
475.12390	2.0
509.14847	2.5
511.13870	3.9
529.14850	2.0
541.15186	2.7
559.16083	2.5
692.22711	3.9
707.21649	3.2
733.26013	3.3
745.26147	2.4
751.28003	2.2
763.26550	7.9
781.28748	13.4
799.29565	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	798.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	0.5
65.03954	0.7
67.05518	2.9
69.03416	1.6
69.07066	0.8
70.32076	0.5
71.04978	0.5
77.42381	0.4
79.05504	3.9
79.14349	0.6
81.03403	2.8
81.07070	4.3
83.08615	0.5
84.61137	0.5
85.02917	1.2
89.95738	0.5
91.05485	5.6
93.07048	3.0
94.04180	1.9
95.04953	1.2
95.08597	2.2
97.02886	1.1
98.20726	1.0
99.92271	0.4
103.05485	1.2
105.07047	6.8
107.04957	1.2
107.08598	1.7
108.04501	0.6
109.02919	0.7
109.06552	2.5
109.10160	0.9
111.04372	0.5
115.05447	3.4
117.07021	2.4
119.04939	0.7
119.08614	2.6
121.06506	0.9
121.10175	1.6
122.03655	5.9
123.08057	0.5
123.11687	0.6
128.06241	1.3
129.07022	3.3
131.04924	1.6
131.08554	2.1
132.05711	1.1
133.06509	5.0
133.10161	1.3
135.04324	0.7
135.11691	1.4
137.05991	100.0
138.06313	1.1
141.07065	0.5
143.04932	2.7
144.05670	1.2
145.06525	1.2
145.10138	0.7
147.04434	0.9
147.08032	2.4
149.05992	2.0
149.13185	0.6
151.03934	0.6
151.07539	3.5
155.04948	1.4
157.06493	1.6
159.08089	3.7
159.11751	0.8
160.05200	3.9
160.08852	0.6
161.05998	13.2
161.07278	0.9
161.13264	0.5
163.03917	0.6
163.07588	1.0
165.05496	1.7
171.08076	1.0
172.05153	1.7
173.05998	0.7
173.13255	0.8
175.07559	38.2
177.09146	1.2
179.07066	0.9
184.05128	0.8
185.05960	0.7
187.07555	16.3
188.08220	0.7
189.06998	0.7
189.09113	3.7
190.07759	3.2
191.08572	9.8
191.10651	1.6
199.07562	4.9
201.09082	0.8
202.07776	1.5
203.08546	3.9
205.06715	0.8
205.08615	4.3
205.12286	0.6
207.08089	1.0
208.08925	0.7
213.09024	0.5
217.08603	1.9
218.07327	2.0
219.08098	15.8
219.10147	1.8
220.08833	2.1
220.10780	0.6
231.08107	3.8
232.08842	1.0
235.07410	1.3
235.09677	4.7
236.08310	2.7
239.06955	0.6
242.53384	0.5
246.06818	0.5
247.07607	6.5
248.08334	2.1
249.09117	1.6
251.10690	24.5
252.11063	0.5
253.08646	1.0
253.12036	0.8
259.07495	2.9
260.08441	1.1
261.09100	1.4
261.22198	0.9
263.08038	0.5
263.10580	2.5
264.07806	1.8
265.08627	0.7
267.10352	0.7
271.09540	0.7
276.07971	1.1
277.08594	1.8
279.10187	17.2
280.10828	1.8
281.07956	1.6
281.11078	0.5
283.13321	0.6
291.10089	5.1
292.10959	2.0
295.13315	0.6
296.10352	1.6
311.12805	47.1
313.14282	0.6
323.12744	9.0
341.13858	8.8
369.12961	0.5
373.02353	0.5
452.80365	0.5
708.37830	0.5
780.32062	0.8
798.31250	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	797.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24173	0.5
57.03436	2.1
61.02935	5.3
61.68894	0.5
67.05511	5.8
69.03438	3.4
69.07076	1.5
71.01347	0.5
73.02920	3.7
76.46089	0.5
79.05513	4.2
81.03432	2.0
81.07066	6.0
83.04961	0.6
85.02917	5.2
86.09695	0.5
91.03950	3.4
91.05482	3.1
93.07074	3.4
95.08620	5.1
97.02892	5.1
98.21529	1.1
99.04472	1.4
101.02398	1.7
105.07055	0.8
107.08616	1.9
109.02939	0.8
109.10152	1.0
119.08619	0.8
121.10175	1.3
127.03967	1.1
131.08636	0.7
133.10104	0.5
135.11713	1.1
145.10175	0.7
147.11661	0.5
149.13298	0.6
173.59248	0.5
177.05119	0.5
184.07391	1.5
185.04277	1.0
203.05380	0.5
243.08527	2.0
335.25864	0.8
519.29370	11.1
533.84705	0.5
797.51801	100.0
798.52106	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	797.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
61.02933	5.6
67.05511	4.9
67.05873	0.3
68.83067	0.2
69.03430	2.7
69.07081	1.2
69.81016	0.5
69.81432	0.6
71.01368	0.2
71.05001	0.5
73.02924	4.5
79.05507	3.4
81.03428	1.6
81.07064	5.2
81.07533	0.4
83.01390	0.2
83.05001	0.3
83.08628	0.4
85.02913	5.0
86.67752	0.2
87.04485	0.5
91.03970	3.1
91.05489	1.7
93.07053	3.6
95.04977	0.3
95.08623	3.8
97.02900	4.6
97.10175	0.3
98.20734	0.3
98.21323	0.5
99.04466	0.8
101.02395	2.0
103.03947	0.5
105.07040	1.0
107.08587	1.6
109.02891	0.6
109.10174	1.5
115.03945	0.6
117.07032	0.3
119.08616	0.8
121.10164	1.8
122.10388	0.2
123.11746	0.3
127.03920	1.4
131.08578	0.8
133.10147	0.8
135.11710	0.8
145.10114	0.4
147.11729	0.5
149.13277	0.7
159.11589	0.2
161.13336	0.3
184.07347	0.4
185.04276	0.6
203.05270	0.4
243.08456	2.0
259.69452	0.2
261.22247	0.3
282.16315	0.2
335.25906	0.8
442.15643	0.2
484.37680	0.2
519.29315	10.5
532.62091	0.2
674.04016	0.2
797.51776	100.0
798.52301	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	797.317
Annotation	Unknow
Peak:m/z	Relative Intensity
66.75282	3.4
67.05511	5.3
69.07076	6.7
69.93870	10.1
69.94267	7.0
79.05502	5.5
81.03407	8.1
81.07065	4.1
82.54588	3.8
91.05475	8.7
94.04181	4.9
98.21431	5.8
103.05442	7.6
105.07019	5.2
107.04955	7.3
107.83308	4.1
108.05727	3.5
115.05437	8.0
117.06978	9.7
121.06488	7.1
122.03582	4.6
123.04458	5.5
128.06248	6.6
129.06982	11.9
131.04929	9.6
136.05176	6.6
137.05992	56.0
145.06473	20.9
147.04411	5.9
149.05943	4.6
149.09439	4.4
151.03903	15.4
151.07549	76.1
157.06525	17.0
158.07275	6.8
159.08043	15.1
159.24767	4.4
160.05176	5.3
160.08852	35.5
161.05962	12.1
161.09608	5.1
163.07553	11.0
165.01833	14.7
165.05545	20.9
165.09068	8.8
171.08052	6.9
172.08813	9.6
172.54408	3.8
173.06018	14.1
173.09598	5.8
174.06769	10.7
174.10379	5.0
175.03873	11.2
175.07512	19.8
176.08362	13.1
177.09140	25.2
179.07031	5.7
183.08142	4.5
184.07411	6.5
185.05936	4.4
187.07542	17.7
187.11311	5.2
188.08319	20.1
189.05496	7.3
189.09108	62.7
190.09793	4.4
191.08946	6.1
191.10680	100.0
195.07977	5.6
197.09563	3.9
199.07616	7.8
200.08264	6.1
201.05473	5.5
201.09079	31.0
202.09868	8.2
203.10658	22.3
205.12292	26.6
207.08054	5.4
208.08844	3.5
209.09622	5.6
211.07684	6.0
212.11928	4.3
213.09061	13.9
215.10693	24.0
217.08643	7.1
217.12201	8.5
219.08113	7.3
219.10133	59.8
219.13725	28.2
221.09692	7.9
223.11284	5.5
227.10558	4.4
228.11346	5.7
229.12236	14.6
231.13765	4.3
233.09579	5.5
233.11786	5.7
235.07501	7.2
239.10669	8.6
241.12238	6.3
242.12964	8.0
243.13806	30.5
245.15300	5.3
247.07402	4.6
249.09338	4.6
250.72267	3.7
253.08530	6.3
255.13821	9.7
256.14426	4.4
257.15350	14.6
263.07111	4.7
264.07800	5.3
265.08615	6.8
267.06549	5.2
267.10046	8.5
269.15372	13.3
271.16922	28.1
275.07047	5.9
277.08557	12.2
279.10242	17.6
285.14771	11.0
287.16388	7.8
289.08636	6.3
290.09351	9.7
295.09576	9.4
307.09665	16.8
308.10312	6.9
309.11151	7.5
319.09845	5.1
321.07782	6.7
321.11252	15.7
323.12869	6.4
337.10611	9.0
339.12222	5.1
349.10614	5.2
350.11478	4.0
351.12384	10.4
491.67731	4.2
497.15729	5.5
509.15982	6.5
557.17468	4.9
701.27136	12.7
731.28589	10.5
749.29114	8.1
761.28992	8.1
779.30566	6.4
797.31067	23.3
797.42719	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	797.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97058	2.5
57.07077	5.7
58.40267	2.6
62.13799	2.6
65.03947	2.8
66.88432	2.7
69.03407	2.6
69.07075	7.0
71.53642	3.1
77.03946	3.1
77.82600	2.4
79.05491	7.1
80.29924	3.1
81.03418	4.3
81.07078	3.4
82.07381	2.8
87.04482	14.1
91.05509	9.3
94.04189	4.0
95.04987	4.1
103.05508	3.9
105.04505	3.2
105.07069	4.8
107.04964	3.4
115.05485	7.3
117.07035	10.9
119.04910	3.0
121.06509	5.2
122.03675	4.4
123.04478	4.0
128.06250	4.2
129.07022	6.8
129.83757	3.1
131.04939	3.7
135.04451	3.7
136.05234	3.5
137.05988	23.4
141.07024	3.0
144.05681	5.8
145.06502	14.3
146.07272	4.5
147.04488	4.3
147.08041	4.2
149.02414	3.9
149.06000	4.0
151.03914	19.4
151.07542	50.9
155.07126	3.0
155.08539	4.5
157.06516	5.2
158.07309	10.7
159.04341	4.1
159.08093	8.8
160.08847	20.6
161.06024	8.2
162.06870	3.4
163.03993	4.7
163.07541	7.6
165.01894	9.0
165.05479	92.1
165.06870	4.6
165.09186	5.1
172.08794	3.6
173.05966	9.7
173.09645	7.0
174.06795	10.1
175.03954	12.6
175.07529	14.8
176.08377	6.2
177.09161	17.4
179.07091	3.1
181.06557	3.3
185.06117	3.8
186.06813	3.6
187.07610	9.1
187.11151	5.1
188.08366	11.6
189.05495	5.5
189.09123	49.3
191.03561	4.5
191.10658	43.3
195.08081	6.0
201.05479	3.2
201.09126	18.2
202.09880	4.9
203.07037	4.3
203.10695	16.9
205.08759	4.4
205.12245	19.7
209.09724	2.9
211.07472	3.6
213.09209	5.2
215.10687	7.4
217.08679	11.7
217.12219	6.8
219.06506	2.9
219.10159	45.0
219.13820	6.5
227.10811	3.7
228.11482	3.9
229.08659	3.9
229.12303	6.1
231.13809	5.0
237.09126	3.6
239.10658	5.5
241.12283	4.2
243.13884	8.3
247.07724	4.3
248.08401	5.7
249.09244	5.3
251.10625	4.8
253.08542	4.1
255.13765	7.7
257.15546	9.3
263.10565	3.7
264.07785	4.0
271.16931	8.3
275.07153	3.4
277.08234	3.3
279.10251	8.9
285.14972	6.4
287.16501	5.2
291.06714	4.4
291.10049	3.8
293.08286	4.9
307.09689	10.5
308.10605	3.6
309.11383	6.6
309.60263	3.0
321.11322	12.7
323.09305	4.4
323.12967	7.5
325.10724	4.4
335.09271	3.3
337.10791	5.0
338.11475	3.7
339.12393	4.3
351.12354	8.2
357.07425	3.4
367.11938	5.7
385.13028	6.4
393.17038	4.0
527.16650	4.0
707.37946	13.3
731.28259	4.7
749.29462	5.6
761.29572	6.9
779.30188	13.9
797.31543	100.0
798.31897	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	797.317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87972	1.3
59.12061	1.2
63.06815	1.1
63.45644	1.0
64.81303	1.3
65.03945	1.9
67.05504	2.5
69.03424	1.6
69.07064	3.6
69.70193	2.8
69.70605	4.0
77.03946	1.6
79.05496	3.5
81.03405	7.1
81.07070	1.9
83.04967	3.0
91.05489	8.5
93.03387	2.1
93.07032	1.8
95.04984	2.9
95.08632	1.4
97.02879	1.4
98.20847	2.2
103.05464	5.1
105.03371	1.5
105.07021	5.7
107.04964	7.0
109.02879	3.6
109.06483	1.8
115.05455	6.6
116.06295	1.3
117.07035	6.2
119.04935	3.2
119.08541	1.2
121.06516	4.6
122.03642	5.3
123.04474	7.8
128.06215	6.1
129.07011	13.3
131.04924	8.2
131.08583	3.9
133.02829	2.2
133.06509	3.6
135.04448	6.3
136.05203	3.3
137.02356	3.3
137.05984	60.5
139.03833	1.6
141.06999	3.1
142.07787	2.7
143.04961	3.8
143.08572	2.7
144.05687	4.7
145.06511	18.6
146.07257	6.1
147.04440	4.2
147.08047	4.2
149.02382	1.4
149.05977	4.9
151.03920	15.7
151.07552	59.3
153.06967	1.3
154.07838	1.4
155.04845	1.3
155.08600	1.6
157.06497	18.1
158.07291	7.8
159.04416	3.9
159.08070	15.1
160.05191	5.0
160.08833	22.0
161.06001	10.1
161.09575	3.0
162.06760	5.1
163.03896	5.3
163.07587	5.0
165.01865	10.7
165.05479	3.9
165.07018	4.6
165.09128	7.1
166.07741	1.4
167.03389	3.1
167.08519	1.4
169.06450	3.1
169.10112	1.9
170.07271	1.5
171.04489	1.6
171.08044	9.2
172.05194	2.6
172.08820	8.6
172.79413	1.3
173.06007	11.9
173.09641	5.6
174.06781	11.3
174.10425	5.0
175.03932	11.1
175.07567	20.4
176.08302	10.1
177.05467	2.1
177.09123	21.2
179.07072	2.1
179.08585	3.5
181.06482	4.5
181.10086	1.9
182.07275	2.4
183.08049	5.3
184.08868	5.6
185.05977	4.7
185.09576	3.3
186.06705	4.5
186.10365	2.2
187.07552	20.0
187.11150	2.9
188.06728	1.7
188.08354	21.3
188.12013	2.9
189.05475	3.4
189.09116	79.1
190.09871	8.1
191.03435	5.8
191.10683	100.0
192.04187	1.9
193.04953	3.1
193.06630	1.7
193.10143	1.7
194.07202	1.3
195.08098	6.5
196.08847	4.8
197.05943	1.9
197.09648	9.5
198.10403	5.6
199.07532	6.1
199.11179	2.8
200.08386	6.1
200.11957	1.3
201.05458	3.0
201.07277	2.9
201.09109	41.1
202.08105	2.2
202.09819	9.7
203.07040	3.9
203.10674	31.1
204.11412	4.5
205.08609	3.4
205.12245	22.1
207.08023	4.9
208.08780	2.4
209.09627	8.5
210.04630	1.3
210.06596	1.6
210.10408	4.8
211.07581	3.3
211.11195	6.5
212.08304	4.3
212.11964	9.2
213.05482	3.4
213.09161	13.9
213.12752	2.2
214.09758	6.4
215.10677	25.7
216.07834	2.0
216.11479	7.7
217.08673	4.9
217.12227	11.0
219.08080	4.9
219.10181	16.2
219.13795	39.1
220.08902	2.4
221.09688	3.0
223.07430	3.2
223.11172	6.5
224.08327	3.5
224.11913	2.9
225.09203	6.1
225.12720	4.4
226.09950	3.7
227.07051	2.9
227.10730	12.2
228.07735	1.5
228.11464	14.0
229.05002	2.2
229.08577	3.4
229.12262	12.9
231.08163	1.8
231.10149	12.4
231.13728	8.7
233.09630	3.0
233.11763	2.6
234.06808	1.6
235.07529	3.9
235.11197	3.9
236.08228	1.9
237.09163	3.7
237.12692	5.3
238.09848	3.3
239.10672	12.9
240.11424	3.5
240.15062	2.8
241.12280	12.9
242.13037	8.9
243.10083	3.4
243.13829	37.1
244.14409	2.8
245.11780	2.3
245.15369	4.9
247.07594	5.8
248.08331	4.9
249.09058	3.5
249.11206	2.4
250.06172	1.6
250.13429	2.2
251.06985	4.5
251.10652	7.3
252.07791	1.6
252.11394	2.8
253.08600	3.3
253.12230	5.6
254.12982	3.6
255.06415	2.0
255.10191	3.1
255.13812	13.2
256.14545	5.4
257.04352	2.8
257.15378	33.4
260.08261	2.0
261.09018	3.3
261.11429	2.7
262.09787	1.6
263.07010	5.4
263.10709	3.7
264.07794	2.7
264.11496	1.5
265.08551	4.9
265.12210	2.0
266.13040	3.6
267.06458	1.6
267.10193	4.1
267.13803	4.8
268.14621	1.6
269.15308	11.8
271.16943	33.5
273.09225	1.6
273.14920	2.5
275.07098	3.1
275.10529	2.0
276.07794	1.9
277.08600	4.9
277.12228	1.4
278.09277	2.5
279.10187	9.3
279.13403	2.4
280.10880	1.4
281.12238	1.9
281.15292	9.4
285.14963	6.1
287.16431	6.4
288.07846	1.4
289.08603	3.7
289.17944	1.7
290.09396	4.1
291.10239	6.6
292.07333	1.6
293.08194	4.1
293.11514	1.5
295.09717	8.3
295.12747	1.5
297.11499	2.1
297.14764	2.8
299.16437	25.0
303.10184	2.7
304.10938	1.7
305.08136	2.5
305.11844	1.5
306.08911	1.8
307.09689	11.0
308.10367	3.3
309.07809	1.4
309.11234	5.2
315.10245	1.8
315.15927	3.6
317.07950	2.1
317.17413	3.6
319.09689	5.0
320.10568	2.0
321.11334	10.8
323.09009	2.4
323.12769	1.9
325.10797	3.9
331.09451	2.1
332.10303	1.6
333.11270	3.1
335.09134	2.2
337.10840	7.1
347.16489	1.8
349.10721	3.1
351.12305	9.0
355.12027	1.8
361.14648	2.2
363.15894	1.5
367.11902	4.2
368.12686	7.7
369.13315	5.7
375.16187	2.5
377.17709	2.5
381.13428	2.2
387.16074	2.6
389.17511	1.9
393.17020	2.6
399.12607	1.7
405.16953	4.2
406.17438	1.5
417.16910	2.7
418.17661	2.9
419.18768	4.0
429.13791	1.4
435.18439	2.3
436.18680	5.4
437.19424	3.7
447.14496	1.5
449.13519	1.5
453.19156	4.6
454.19693	3.2
461.12460	2.2
471.14606	3.3
497.15848	2.8
509.15720	2.3
527.17065	2.0
539.16681	1.9
645.21295	1.8
673.28595	1.5
675.22479	2.2
683.26300	2.7
701.27020	5.5
713.27283	4.0
714.27008	1.5
719.28436	2.5
731.28174	6.0
749.29663	7.7
761.29663	6.2
779.30463	10.3
797.31659	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	797.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01708	1.5
65.03947	1.4
69.07089	5.3
69.86372	6.2
79.05509	5.3
81.03417	8.2
81.07060	2.3
83.04986	4.6
85.02886	1.3
91.05488	6.6
94.04198	2.4
95.04980	3.5
97.02888	1.6
103.05484	4.1
104.46591	1.2
105.07072	3.6
107.04984	7.2
108.05747	2.7
109.02881	2.1
111.04440	1.9
115.05469	6.1
117.07034	5.5
119.04980	1.7
121.02892	1.8
121.06541	4.9
122.03675	5.8
123.04417	6.3
125.02355	2.2
128.06253	4.7
129.07008	8.8
131.04912	8.0
131.08603	4.0
132.05719	1.6
133.02853	1.4
133.06519	2.8
135.04448	5.5
136.05231	4.1
137.02373	3.6
137.05984	43.2
141.07027	4.4
142.07849	1.8
143.04953	4.3
143.08580	3.4
144.05763	4.2
145.06497	22.2
145.10167	2.2
146.07277	3.8
147.04486	3.5
147.08112	1.8
149.06018	7.0
151.03926	4.9
151.07552	65.1
153.07047	2.2
155.03445	1.6
155.06078	2.2
155.08607	3.5
157.06522	9.9
158.07297	9.5
159.04482	3.5
159.08057	10.4
160.05235	3.5
160.08862	5.8
161.05989	7.9
162.06802	2.6
163.03951	4.3
163.07608	4.3
165.01904	2.1
165.05508	21.8
165.06969	4.1
165.09186	5.2
166.07805	2.0
167.03528	1.7
167.08623	2.9
169.06500	2.8
169.10120	1.9
170.07307	1.8
171.08037	7.3
172.08830	12.2
173.05986	10.3
173.09685	4.6
174.06775	13.5
175.04012	2.9
175.07555	18.7
176.04662	1.9
176.08289	6.7
177.09106	17.3
179.07100	2.5
179.08571	3.4
181.06535	3.9
182.07339	2.6
183.08090	4.8
184.08856	2.9
185.06056	4.5
185.09750	3.5
186.06841	5.9
186.10435	2.5
187.07545	16.1
188.08336	21.4
189.09122	100.0
190.09883	4.0
191.03439	1.6
191.07071	2.3
191.08853	2.8
191.10683	27.5
194.07260	1.6
195.08072	7.6
196.08916	3.7
197.06009	2.3
197.09671	4.0
198.10481	1.7
199.07491	8.4
200.08388	5.7
201.05449	1.6
201.09119	46.0
202.09929	6.5
203.07114	2.9
203.10672	41.9
204.07796	1.7
204.11403	2.0
205.08627	3.2
205.10411	2.2
205.12260	16.9
207.08083	2.3
208.08907	3.4
209.06110	1.7
209.09718	4.1
210.10519	2.3
211.07573	6.9
211.11295	3.6
212.08438	4.6
212.11978	2.5
213.05577	1.6
213.09088	12.6
214.09996	3.5
215.07094	3.1
215.10667	23.4
216.07880	2.3
216.11382	2.5
217.08528	7.1
217.12178	9.4
218.07416	1.6
219.08138	3.5
219.10272	6.9
219.13776	8.6
220.08913	1.5
221.09761	3.1
222.10413	2.3
223.07762	3.4
223.11259	4.9
224.08371	5.5
224.12000	1.6
225.09085	10.5
225.12820	2.9
226.09991	3.2
227.07106	2.0
227.10677	12.6
228.11528	5.6
229.05009	3.1
229.08452	6.3
229.12129	7.4
230.13283	1.4
231.08118	1.9
231.10165	28.3
231.13940	4.5
232.08919	1.8
233.09683	2.7
233.11824	2.0
234.06898	2.3
235.11290	1.7
236.08267	2.1
237.09215	3.1
237.12857	3.6
239.07133	4.1
239.10663	12.6
240.11472	2.4
241.08685	3.8
241.12254	10.3
242.13136	4.1
243.10127	6.7
243.13818	13.2
245.11923	1.5
245.15515	2.5
247.07587	3.2
247.09750	2.4
248.08327	3.3
249.09167	4.7
249.11377	4.5
250.13576	2.7
251.07285	2.3
251.10770	5.8
252.11507	3.9
252.26353	1.6
253.08748	3.9
253.12384	5.5
254.13133	3.0
255.06532	3.6
255.10391	3.7
255.13789	13.6
256.14575	2.7
257.08044	1.6
257.11942	3.7
257.15363	29.9
259.07584	1.5
260.08511	2.0
261.09109	3.1
262.10016	2.4
263.07083	2.8
263.10733	4.2
264.08023	2.6
265.08698	4.1
265.12384	3.3
266.13046	2.2
267.06631	2.8
267.10233	4.5
267.13889	4.5
269.08209	4.1
269.12531	1.8
269.15298	9.4
271.09875	1.7
271.16943	14.7
275.07156	1.5
275.10800	2.0
276.08011	2.5
276.11246	1.7
277.08649	5.6
278.09573	2.4
279.10272	4.6
279.13809	2.5
281.08194	2.6
281.12317	2.2
281.15329	13.9
283.16931	1.8
285.15018	3.6
289.08603	2.6
291.10220	6.5
292.10965	2.0
293.08160	3.5
293.11615	2.7
295.09796	4.3
295.13336	1.6
297.11481	1.7
297.14935	1.5
299.16391	30.7
303.10318	2.7
305.08112	2.1
305.11588	1.4
306.08829	1.7
307.09720	7.3
309.11368	2.8
317.17697	3.4
319.09802	3.8
321.11353	5.5
323.12943	3.1
325.10797	2.1
333.11423	3.7
337.10931	3.4
339.12488	2.8
349.10495	2.0
359.17047	1.5
375.16135	2.4
377.17621	1.9
393.17294	2.2
423.18552	1.6
454.19763	2.5
486.19284	1.4
507.16632	1.6
675.22290	1.6
693.23596	2.9
701.27252	2.2
705.23871	3.8
707.38055	1.9
711.24487	3.1
713.27252	2.3
723.24139	2.9
731.28192	6.4
741.24091	1.8
749.29291	5.2
761.29535	6.6
767.30713	3.6
779.30737	18.2
797.31677	52.5
798.31635	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	795.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.6
59.05003	0.5
61.02934	4.9
67.05508	7.0
69.03443	2.6
69.07095	1.2
70.06601	1.0
71.04994	0.7
71.52444	0.7
73.02934	3.6
78.96215	0.5
79.05509	1.7
81.03419	1.0
81.07068	3.0
85.02905	5.9
87.04469	1.3
89.91042	0.5
91.03969	3.5
91.05499	1.2
93.07053	2.5
95.08611	2.9
97.02898	4.7
97.06434	0.5
99.04467	0.8
101.02396	1.8
103.03979	0.8
105.06966	0.6
107.08614	1.7
109.02886	0.9
109.10168	6.2
116.07091	1.0
119.08506	0.7
121.10157	1.4
127.03958	1.8
131.08592	0.8
133.10175	1.0
134.59590	0.5
153.58067	0.5
166.42967	0.5
172.22607	0.6
173.11778	1.6
185.04280	1.5
195.10030	0.8
224.06880	0.5
229.14487	0.8
243.08466	2.4
335.25873	1.2
356.80750	0.6
368.21384	0.5
413.17877	9.2
519.29309	8.9
691.40332	100.0
692.40857	3.3
795.44830	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	795.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.8
58.66891	0.4
59.05012	0.6
61.02934	4.7
65.03944	0.4
67.05513	4.0
69.03437	3.5
69.07081	2.1
70.06599	0.8
71.01358	0.4
71.05000	2.1
71.52074	0.6
73.02920	4.0
79.05502	4.2
81.03431	4.3
81.07069	3.7
83.04980	1.0
83.08635	0.8
85.02916	5.1
85.06520	0.5
87.04563	0.5
91.03956	2.9
91.05491	4.0
93.07050	5.0
95.04989	1.5
95.08609	2.5
97.02908	3.6
97.06549	0.8
99.04472	1.1
101.02403	1.9
103.05482	0.4
105.07037	3.5
107.04977	0.5
107.08620	2.6
109.02877	1.0
109.10192	1.0
111.04450	0.4
111.08065	0.7
115.05481	0.6
115.38529	0.5
117.07050	1.2
119.08582	3.4
120.51875	0.5
121.06555	0.5
121.10190	1.9
123.04430	0.5
127.03955	1.6
128.06180	0.5
129.07027	1.7
131.04967	0.6
131.08598	1.2
133.10175	2.7
135.04424	7.2
135.11734	0.9
137.06004	1.7
143.08571	0.7
145.04900	0.6
145.06572	0.6
145.10141	0.7
147.11725	1.6
149.09709	1.4
150.64795	0.5
151.03926	1.1
151.07579	4.0
157.06543	0.8
157.10156	0.6
159.11726	0.7
160.08928	0.5
161.13223	0.5
165.07126	0.6
165.09189	0.5
171.04367	0.5
173.06091	1.1
174.06773	0.6
175.03981	0.6
175.07599	1.3
175.11185	1.0
177.09123	1.0
184.07474	1.0
184.08929	0.6
185.04308	1.2
185.06015	0.7
187.07649	1.3
188.08345	0.8
189.09073	2.2
191.10719	2.2
193.12334	1.5
197.09692	0.9
198.10414	0.5
200.08369	0.5
201.09172	3.4
202.09743	0.4
203.05310	0.6
203.10710	2.2
204.11464	0.5
205.12315	0.6
211.11205	0.8
212.11961	0.4
213.09152	0.7
214.10033	0.5
215.10809	1.8
217.12308	1.1
219.13855	1.7
225.09177	0.9
225.14948	0.6
227.10799	1.0
228.11555	1.0
229.12315	0.7
231.13943	0.7
235.11310	0.5
237.12828	0.7
238.13773	0.5
239.10854	0.7
241.12184	1.1
243.08353	3.7
243.13721	2.1
255.10110	0.5
255.13527	0.6
257.11844	0.6
257.15509	1.5
259.07782	0.5
263.06894	0.4
267.16080	0.8
269.15521	1.6
271.16922	2.2
281.15411	1.4
283.15173	4.8
299.16525	4.3
301.09082	1.8
315.10614	1.2
323.18417	0.7
339.17975	1.1
373.11270	0.6
381.18707	0.7
413.17657	0.6
465.21255	1.1
469.20322	0.5
501.23062	13.8
529.23022	0.6
535.28778	9.5
573.25372	1.8
657.34723	0.9
705.38068	1.0
727.63971	0.5
729.26776	0.7
749.41669	0.6
759.27216	0.7
777.29260	0.8
795.45050	100.0
796.45056	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	794.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	18.0
57.07080	6.3
61.02947	2.9
65.03910	2.8
67.05512	97.7
69.07073	40.3
71.08650	3.5
71.48160	3.7
72.83374	3.4
76.23282	3.1
79.05505	44.3
81.07066	100.0
83.08635	16.7
85.02930	4.3
87.04460	8.5
91.05482	29.1
93.07055	52.4
93.45235	2.7
94.90495	2.7
95.08614	74.6
97.06558	4.0
97.10181	8.5
105.07028	16.7
107.08613	28.1
107.43113	2.8
109.10173	34.6
111.08020	3.4
117.07063	3.5
119.08588	22.6
121.10165	27.2
123.08064	3.8
123.11695	15.0
131.08549	12.8
133.10164	16.1
135.11694	14.9
137.13242	3.4
140.93262	2.6
145.10130	6.4
147.11697	11.8
149.13271	12.4
151.14822	3.2
159.11720	7.1
161.13281	7.9
163.14838	4.7
173.13341	6.9
175.14838	4.7
184.07324	8.2
241.19426	4.0
243.21048	5.3
259.20496	5.3
261.22186	22.9
263.23737	6.9
333.24155	4.6
335.25827	83.2
337.27386	89.8
339.28885	6.7
417.04373	3.1
517.42731	3.2
597.48730	37.0
615.49817	36.4
669.27179	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	793.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
58.49802	0.5
58.96712	0.7
61.44415	0.5
65.03937	0.7
67.05498	0.9
69.19848	4.8
70.06570	0.9
77.17844	0.6
79.05496	1.7
81.03425	8.9
81.07078	0.9
83.04988	2.4
91.05505	3.8
93.07030	1.0
94.04172	0.8
95.04973	1.3
97.02883	2.1
103.05460	2.0
105.07030	1.0
107.04955	4.8
108.05737	2.2
109.06517	1.4
111.04420	0.8
115.05458	2.4
116.06290	0.7
117.07046	1.3
119.08621	0.7
121.06496	1.9
122.03613	2.9
124.05228	0.8
125.02373	3.7
128.06265	3.1
129.07018	7.4
131.04953	5.4
131.08542	1.0
132.05716	0.7
133.06537	0.9
135.04431	2.6
136.05206	6.2
136.06195	1.4
137.05994	40.5
138.06828	1.0
139.07558	2.0
143.04942	1.6
143.08572	0.9
144.05688	2.0
145.06491	6.7
146.07272	3.5
147.04440	0.7
147.08040	1.0
151.03981	1.7
151.07559	100.0
152.07956	0.9
153.05551	0.8
155.03424	2.7
155.04787	0.6
155.06053	0.9
157.06512	7.9
158.07317	4.7
159.04428	1.4
159.08101	3.4
160.05222	1.8
160.08873	2.0
161.06020	3.8
161.09550	0.9
162.06749	0.8
163.07529	2.5
165.05472	2.6
165.09187	0.6
167.03389	0.9
167.07054	2.3
171.08043	2.6
172.05215	1.6
172.08855	8.9
173.05997	5.4
173.09573	0.6
174.05664	0.4
174.06784	12.1
175.07567	13.6
176.08330	2.1
177.09105	5.7
181.06461	1.5
183.08054	1.2
185.06050	1.7
187.07561	18.2
188.08331	11.7
189.09129	53.4
190.09506	0.7
191.07010	0.8
191.10686	3.3
191.69888	0.5
195.08040	0.8
196.08852	4.0
198.06810	0.6
199.07561	1.7
200.08339	1.2
201.05386	1.0
201.09123	17.8
202.09885	4.5
203.10677	22.1
203.12611	1.1
205.08641	1.3
207.10211	1.5
211.07576	1.2
212.08365	1.7
213.09143	5.1
215.07019	0.9
215.10664	1.2
216.07826	0.9
217.08597	7.6
219.08148	1.4
219.10167	11.0
221.11810	1.7
223.07596	0.9
225.09108	1.0
226.09854	1.9
227.10640	3.1
231.08160	1.0
231.10168	18.1
233.09767	1.2
233.11775	0.6
234.10414	1.0
235.07533	1.0
239.10735	0.8
241.08560	0.7
241.12459	0.7
245.09720	0.8
246.10384	0.7
247.07584	2.0
249.09059	0.9
249.11276	11.2
251.10796	0.6
254.09409	1.3
255.10136	1.4
257.11502	0.6
261.09180	1.2
262.09937	1.3
263.07050	0.6
263.10767	1.1
265.12344	1.0
267.10147	1.2
269.08209	1.1
270.09058	0.8
270.12491	0.7
272.60190	0.5
273.11215	2.3
275.07205	0.6
275.10712	1.0
277.12207	1.1
278.09537	0.7
279.10236	1.9
280.10916	0.7
281.11609	0.7
283.09756	0.7
284.10458	3.9
285.11322	3.1
290.09393	1.7
291.10266	2.7
293.11734	2.8
294.12521	1.7
295.09714	1.0
297.11267	1.6
305.11697	4.1
306.12433	3.1
307.09601	1.8
309.11237	2.2
310.11893	3.4
311.12717	1.0
321.11145	0.8
325.10797	0.8
325.14291	11.5
337.10638	1.5
337.14359	14.2
343.15677	0.9
355.11719	2.1
355.15442	19.0
357.13263	3.6
367.11880	1.2
373.16611	1.5
385.12912	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	793.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.9
55.05505	0.7
65.03944	0.5
67.05517	1.6
68.99777	0.6
69.03436	0.8
69.07061	0.4
69.51007	1.3
69.51437	1.0
70.00066	0.3
79.05480	1.5
80.06252	0.4
81.03423	14.2
81.07053	1.4
83.04971	1.3
83.08603	0.5
83.41557	0.3
91.05494	2.8
93.07054	0.9
95.04971	1.4
95.08612	0.7
97.02902	1.0
97.06555	0.4
103.05477	0.8
105.03367	0.9
105.07037	2.5
106.04150	0.4
107.04965	3.2
107.08624	0.8
108.05740	1.4
109.02873	0.8
109.06528	0.5
109.10199	0.3
111.04444	1.2
115.05482	1.2
117.07013	1.2
119.08559	0.7
121.02867	0.6
121.06502	1.2
123.04441	1.0
125.02366	2.0
128.06184	1.6
129.06984	1.9
130.07753	0.5
131.04930	1.0
131.08554	1.6
132.05675	0.4
133.02884	0.5
133.06483	2.4
133.10147	0.5
133.23242	0.3
135.04437	1.3
136.05188	2.5
136.06151	0.7
137.02368	1.0
137.05972	0.7
138.03111	3.1
138.06792	1.4
139.03897	0.8
139.07535	0.5
141.06964	1.1
143.04909	0.4
143.08556	0.8
144.05711	1.1
145.06491	3.9
146.07257	1.4
147.08025	0.7
149.02405	0.4
151.04163	1.6
151.07550	100.0
152.07941	1.0
153.01820	0.4
154.02618	1.1
155.03384	3.5
156.04245	0.5
156.05603	0.8
157.06490	3.3
158.07278	3.8
159.04402	1.2
159.08064	4.6
160.05264	0.8
160.08852	2.2
161.05986	6.6
161.09583	0.9
162.06810	0.8
163.03883	0.7
164.08347	0.4
165.01839	0.5
165.05527	1.7
167.03378	1.9
171.08073	3.1
172.08839	7.6
173.06035	3.0
173.09677	1.1
174.06789	8.3
175.03917	0.6
175.07585	2.7
175.11147	0.4
176.08336	17.4
177.09131	3.3
179.03337	0.5
182.07344	0.4
183.02925	1.9
183.08211	0.5
186.06743	0.6
187.07521	4.0
188.08325	10.9
189.09117	37.1
190.09639	1.1
191.03401	0.8
191.10683	3.5
192.04242	0.5
192.07797	0.4
195.02829	0.6
195.08049	0.9
196.08838	2.2
199.07529	1.8
200.08330	1.7
201.09111	20.4
202.09897	6.6
203.06966	0.6
203.10678	16.5
204.07864	0.6
204.11461	1.2
205.04910	0.4
205.08609	0.7
208.08884	0.4
211.07651	0.5
212.08371	0.8
213.09114	3.8
214.09894	0.5
215.07043	1.1
215.10696	1.5
216.07826	1.2
217.08650	1.4
218.09479	0.6
219.10175	18.6
220.10674	0.7
221.11664	0.7
224.08392	0.6
225.09189	0.7
226.09926	1.0
227.10681	2.2
230.09390	4.6
231.10173	20.4
232.10963	1.0
234.10545	0.5
237.09166	0.6
239.10725	1.5
241.08778	0.5
241.12245	0.4
247.09752	0.8
248.10472	3.9
249.11244	17.2
250.11996	1.7
253.08737	0.4
253.12257	0.5
255.10220	1.0
257.11737	1.1
261.03986	0.4
263.10849	0.4
265.08493	0.4
265.12296	0.4
267.06665	0.3
267.10150	1.0
267.15900	0.8
269.11859	0.6
272.10623	0.4
275.06888	0.4
277.08618	0.4
279.06601	0.4
279.10187	0.7
281.11813	0.5
283.09863	0.4
291.10101	0.6
293.11609	0.4
295.06042	0.4
295.09439	0.6
299.12860	0.5
307.09601	1.5
309.07886	0.7
309.11255	1.4
310.08405	0.5
313.37631	0.3
320.10425	0.5
321.11288	0.9
323.09143	1.0
325.10773	0.9
337.06918	0.5
337.10477	1.6
338.11395	0.8
339.12302	0.8
341.10202	1.3
343.11740	0.7
350.11462	0.4
351.12262	0.9
353.10306	2.4
355.11746	2.1
357.13397	2.8
367.11734	0.7
368.12473	0.8
369.13354	0.6
371.11374	2.1
373.12866	1.8
385.12814	2.7
386.13550	1.0
389.12347	0.5
403.13989	0.5
404.14703	3.5
461.28778	0.6
504.98703	0.4
541.34979	0.5
543.15558	0.5
639.76141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40641	0.7
61.02935	7.3
65.03935	1.1
67.05511	0.8
68.99782	0.9
69.03419	1.8
70.06574	1.0
71.52528	1.3
72.54321	0.7
73.02892	1.9
79.05465	1.4
81.03419	1.4
84.37808	0.6
85.02908	5.3
91.03948	2.8
91.05474	1.0
93.07068	0.9
97.02873	3.3
105.07007	1.5
107.04955	1.0
119.04968	0.8
121.02835	1.0
121.06497	1.6
131.04903	1.1
135.04439	9.8
135.40851	0.6
137.05971	1.2
139.00305	1.2
145.06549	1.0
146.07291	0.7
148.05125	0.8
149.05920	0.7
151.03932	0.9
151.07562	2.2
153.01813	3.0
161.06010	5.5
165.09309	0.8
167.07024	0.9
168.00526	3.4
174.06741	0.7
175.07584	1.0
177.05473	1.4
179.03410	0.7
183.02898	27.5
186.01619	2.5
187.07605	1.3
189.05492	3.2
189.09109	1.4
207.06401	0.8
213.05428	1.0
217.04991	7.4
228.04170	1.5
229.04961	1.7
231.06512	2.3
242.05762	1.7
243.02991	1.5
245.04527	5.6
257.04431	1.4
258.05280	6.4
259.06082	0.8
270.05203	1.0
271.02338	4.3
271.05753	1.1
273.03967	5.8
274.04553	0.8
285.04022	3.7
286.04749	36.5
287.05518	13.3
287.08551	1.4
301.03571	8.8
301.07059	100.0
302.04337	5.8
302.07483	1.8
303.05185	0.9
313.03625	1.1
313.07043	4.2
315.05008	58.3
316.05798	24.0
329.06482	6.3
330.07336	18.9
331.08142	65.7
332.08585	1.0
340.12018	0.7
368.05844	0.7
393.87854	0.8
419.07349	0.9
432.08795	0.9
479.43109	0.7
504.94339	0.6
585.10077	2.3
613.09930	7.4
631.10858	40.1
632.11682	0.9
648.21100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.6
55.05518	14.5
57.03193	0.8
57.03445	9.9
57.07066	1.9
59.43082	0.5
61.02928	2.7
64.41974	0.5
65.03947	3.0
67.05512	58.5
69.03424	1.4
69.07076	14.5
70.10345	1.8
71.04991	2.1
71.08645	0.7
73.06580	0.5
79.05502	37.8
81.07065	55.0
82.07380	0.5
83.04990	0.9
83.08622	6.9
85.02902	2.0
85.06534	1.2
91.03950	1.3
91.04897	0.9
91.05489	23.1
93.07053	42.9
95.04995	3.2
95.08615	45.5
97.02892	1.6
97.06530	2.1
97.10162	2.7
98.16933	0.5
99.08086	1.2
105.04534	1.3
105.07043	16.0
107.08602	24.5
109.06520	1.7
109.10166	19.5
111.08073	1.3
111.11713	0.9
117.07008	6.4
119.08591	13.3
121.10155	18.4
123.08076	0.9
123.11726	7.1
125.09663	0.6
129.07001	1.4
131.08580	12.4
133.09129	0.7
133.10141	11.9
135.11713	13.1
137.09663	0.7
137.13237	2.4
139.11206	1.0
143.08549	1.2
144.06485	0.5
145.10143	9.2
147.11710	10.5
149.13274	7.2
151.14778	1.0
157.10117	1.8
159.11719	8.9
161.13263	7.8
163.14862	3.9
171.11719	2.3
173.13303	6.0
175.14813	4.0
177.16396	1.6
183.11752	0.9
185.13269	1.6
187.14862	3.6
189.16374	1.2
191.14386	0.5
197.43172	0.5
199.14853	1.4
201.16402	2.0
203.17947	0.7
215.17929	0.9
219.17404	0.8
231.21042	1.0
233.22581	0.7
241.19742	2.8
243.21114	6.2
259.20572	7.4
261.22168	17.4
263.23639	1.8
273.22238	0.7
299.23727	0.8
301.25113	0.5
309.23978	0.6
315.23196	1.2
315.26602	0.8
317.24780	4.3
333.24298	6.9
335.25827	100.0
336.26166	2.2
337.27396	10.1
353.26849	0.8
484.88217	0.6
507.16656	0.6
521.43292	2.0
539.44659	1.0
595.47290	15.8
613.48352	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	792.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.05516	16.5
57.03444	10.9
57.07082	3.0
57.07310	0.5
61.02924	3.1
64.15580	0.5
65.03954	3.0
67.05510	64.1
69.03428	1.0
69.07074	15.0
70.91113	1.1
71.04985	2.0
71.08630	0.6
71.71040	0.4
73.02913	1.0
73.83125	0.6
74.09695	0.6
77.03918	0.9
79.05499	39.7
81.03436	0.8
81.07064	65.5
83.04972	1.7
83.08629	7.6
85.02888	2.2
85.06516	1.5
91.03950	0.7
91.04909	1.0
91.05490	24.3
93.07051	48.7
95.04989	3.0
95.08616	46.7
97.02879	1.2
97.06540	3.2
97.10191	3.5
98.65807	0.5
99.08099	1.1
105.04492	1.3
105.07043	19.0
107.08603	25.4
108.08886	0.5
109.06490	1.5
109.10165	21.6
111.08089	1.7
113.54723	0.5
115.05439	0.7
117.07027	6.1
119.08592	15.4
120.37406	0.5
121.10155	22.9
123.08066	1.2
123.11705	7.8
125.09614	0.9
128.06204	0.5
129.07021	1.5
131.08583	12.7
132.09346	0.5
133.10143	13.8
135.08051	0.8
135.10689	1.1
135.11702	16.3
137.09660	0.7
137.13242	2.5
139.11142	0.6
143.08540	2.2
145.10135	9.5
147.11703	10.3
149.09637	0.8
149.13271	8.9
151.14809	0.7
155.08585	0.6
157.10124	1.7
159.11716	7.8
161.13272	9.0
163.14839	4.8
165.12766	0.7
169.10172	0.7
171.11691	2.2
173.13284	7.2
175.14818	4.0
177.16380	1.6
179.14392	0.7
183.11688	0.8
185.13239	2.3
187.14810	3.5
189.16440	0.8
199.14868	1.7
201.16422	1.7
206.22667	0.6
213.16522	1.0
215.17975	0.9
217.19576	0.6
219.17650	0.6
231.21021	0.7
233.18887	0.6
233.22647	0.9
241.19669	3.1
243.21106	5.8
259.18082	0.6
259.20605	8.4
261.22168	17.1
263.23660	1.9
271.20667	0.6
277.21478	0.6
279.23199	0.6
289.21829	0.5
299.23633	0.9
315.23041	0.9
317.24850	3.9
333.24243	7.0
333.32990	0.5
335.25824	100.0
336.26312	1.3
337.23456	0.4
337.27386	10.8
351.25262	0.6
353.26514	0.6
424.40811	0.5
521.43884	2.5
539.44556	0.7
543.41388	0.7
595.47223	13.5
613.38885	1.0
613.48346	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	791.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
59.66519	0.7
59.94700	0.6
66.03476	1.6
67.05497	0.9
69.03426	2.7
69.27921	5.1
70.06582	1.1
72.08144	0.9
73.65759	0.7
79.05489	1.8
80.04987	0.8
81.03414	2.2
81.07050	1.7
82.06582	0.9
85.02919	3.2
86.09703	1.0
89.03934	0.8
91.05493	3.4
93.03429	2.1
93.07032	2.4
94.06567	4.4
95.04984	0.9
95.07339	1.9
95.08612	1.0
96.08139	4.0
97.02893	1.6
97.06508	1.3
103.05429	1.2
105.07036	1.4
106.06573	1.0
107.04958	1.1
107.07328	0.9
107.08597	0.8
108.04482	2.6
108.08132	7.3
108.08810	1.1
109.02901	1.1
109.06520	0.7
110.09682	8.0
118.06541	1.0
119.08586	0.8
120.04533	3.8
120.08105	6.8
122.06039	7.6
122.09678	1.7
124.07612	9.4
127.03940	1.7
132.08157	0.9
134.05980	4.1
136.07603	6.7
137.05951	2.0
137.09540	0.7
138.05495	1.0
138.09151	10.1
146.06018	71.9
147.04378	1.0
148.07585	4.0
149.06015	0.9
150.09137	2.5
151.03922	1.7
152.07033	2.7
152.29872	0.8
158.05882	0.8
159.07922	0.7
160.03986	1.1
160.07570	1.3
162.05545	1.1
163.03947	1.1
164.07115	2.7
165.09131	9.7
166.08597	19.9
167.07086	2.8
172.03984	4.8
172.07561	1.0
173.95236	0.8
176.07043	0.9
177.05473	1.6
181.04985	1.3
182.09663	1.1
190.04988	17.5
196.09917	0.9
197.10716	1.8
199.08711	1.1
199.12263	1.9
207.06483	1.9
209.10742	1.2
210.09207	0.9
210.11549	1.0
211.08675	3.7
211.12256	0.9
212.09424	2.4
223.12314	1.1
224.09569	1.4
225.10194	6.0
225.13837	1.5
227.11769	13.8
236.09456	1.3
237.10229	3.2
238.10965	2.3
239.11813	4.2
240.12462	1.2
241.13416	2.3
249.10225	1.4
251.11847	3.6
252.12558	0.8
253.09706	2.5
253.13448	4.8
255.11465	1.1
263.11868	1.0
264.09052	1.1
266.10480	0.9
267.11243	1.7
269.12839	6.5
270.10187	0.9
271.10776	4.1
271.14444	9.4
273.12311	1.7
279.11182	2.1
281.12936	4.3
283.10892	3.7
283.13724	0.8
284.11539	2.5
285.12411	7.5
286.13138	1.9
287.13919	24.4
295.10962	1.7
297.12381	9.2
299.13919	100.0
300.14276	1.9
309.12329	1.0
311.13968	2.5
312.15073	0.9
313.15689	1.3
314.12888	1.3
315.13525	1.5
316.14413	2.9
317.15167	1.1
318.15857	0.9
321.12265	1.2
323.10150	2.8
325.11789	6.1
328.14410	2.0
329.15384	0.9
330.15909	6.2
331.16925	5.9
339.13281	2.2
342.12347	2.6
342.16129	1.0
343.13101	3.8
343.16599	0.9
344.13983	2.3
344.17865	1.8
346.19107	0.8
352.14401	0.8
354.16034	0.8
355.13144	0.7
356.13892	1.9
357.14777	1.3
358.15509	7.2
359.16187	1.5
370.15475	0.9
371.16531	1.0
372.17084	3.8
373.17783	3.1
378.18085	8.9
384.13562	1.1
385.13708	0.8
386.18976	1.5
390.18066	8.7
398.15018	5.7
399.15784	8.1
400.16281	0.9
402.18054	2.1
404.15796	1.3
414.18030	5.2
416.15878	5.8
420.19147	8.9
430.17889	1.1
432.19250	32.5
433.19498	0.9
440.16043	2.6
446.17004	1.5
458.17050	6.4
461.19128	7.1
487.16974	2.1
567.25696	2.1
569.23566	1.2
585.27130	55.1
586.27155	2.2
593.23724	1.2
595.24152	1.0
611.25024	22.1
629.26257	1.1
636.24286	1.1
638.06006	0.7
668.27124	1.2
747.32117	3.0
759.31659	3.4
773.29974	8.7
791.31067	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	791.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
65.03936	0.5
67.05511	0.3
68.99802	0.3
69.03429	0.3
71.52690	0.4
73.47278	0.2
73.80795	0.2
77.03945	0.3
79.05492	1.0
80.06255	0.3
81.03429	11.7
83.01308	0.2
83.04974	0.9
85.02909	0.4
89.03886	0.3
91.05500	1.8
95.04977	0.9
97.02886	1.4
102.68761	0.2
103.05457	0.8
105.03341	0.4
105.04501	0.3
105.07051	0.7
106.04169	0.3
107.04962	3.0
108.05770	1.6
109.02859	0.3
111.04459	0.7
115.05471	1.0
117.07030	0.9
118.04147	0.3
119.04922	0.3
121.06520	0.6
122.03593	0.2
123.04442	0.3
125.02367	3.0
128.06239	0.7
128.42015	0.2
129.07014	1.1
131.04973	1.7
131.08589	0.4
133.06506	0.7
135.04427	1.9
136.05215	1.1
137.05991	3.9
141.07036	0.4
143.04900	0.4
144.05766	0.6
145.06491	4.1
146.07277	1.0
147.08037	0.4
148.05186	0.3
149.02299	0.3
151.04073	3.0
151.07558	100.0
152.06334	0.2
152.07878	0.9
153.05472	0.3
155.03427	3.1
157.06540	1.1
158.07310	1.1
159.04413	0.7
159.08076	1.9
160.05220	0.7
160.08861	0.6
161.06021	1.5
162.06827	0.3
163.03868	0.3
163.07578	1.0
165.05493	1.1
165.06937	0.5
167.03346	0.5
167.07072	0.9
171.08113	1.1
172.08830	2.5
173.06003	2.0
174.06747	2.4
175.03955	0.6
175.07559	2.9
176.08403	1.7
177.09109	1.2
179.03461	0.4
179.08574	0.3
181.04973	1.2
181.06532	0.8
182.07286	0.7
183.08133	0.7
185.05986	0.3
186.06660	0.4
187.07535	2.3
188.08348	5.1
189.09126	24.2
190.06221	0.3
190.09625	0.2
191.07065	2.7
191.08682	0.4
191.10655	1.7
195.08104	0.9
196.08850	3.8
197.09607	0.4
198.06760	0.4
199.07545	0.5
200.08304	1.2
201.05501	0.3
201.09135	3.1
202.09932	2.7
203.06975	0.5
203.10680	5.9
204.07726	0.3
205.08675	1.1
208.08881	0.3
209.09599	0.3
211.07555	0.6
212.08287	1.5
213.09135	3.5
215.07066	0.4
215.10721	0.7
216.07823	1.1
217.08611	1.0
218.09264	0.2
219.08266	0.6
219.10188	17.1
220.07185	0.3
221.09698	0.5
221.11684	0.4
222.10597	0.3
223.07516	0.3
224.08342	0.5
225.09129	0.6
226.09955	1.2
227.10701	3.5
231.10184	11.1
234.06775	0.4
234.10422	0.5
235.07576	0.5
235.09567	0.5
237.09219	0.4
238.09991	0.3
239.10678	0.7
241.12299	0.6
243.10205	0.4
247.09663	0.4
248.08290	0.4
249.08804	0.6
249.11269	8.3
250.09908	0.4
251.07027	0.3
251.10818	0.6
252.11417	0.3
253.08563	0.3
253.12241	0.6
254.09497	0.4
255.10149	0.6
261.08981	0.4
263.10880	0.5
265.12436	0.5
267.10306	0.3
269.11774	0.6
270.12537	0.7
273.24393	0.2
278.09421	0.6
281.11780	0.8
283.13242	0.3
285.07504	0.3
291.10181	0.4
293.11600	0.5
304.62131	0.3
309.11252	2.5
311.12906	0.5
319.09885	0.3
327.12329	0.8
337.10736	1.2
339.12326	0.8
341.13849	0.3
349.10605	0.3
353.14023	0.4
355.11899	1.4
357.13376	5.5
367.11703	0.6
369.13358	0.3
385.12863	3.8
387.14310	1.5
403.13919	0.4
433.25009	0.2
455.57907	0.3
493.43781	0.3
512.60699	0.2
693.91522	0.3
765.02612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
65.03944	0.5
68.20825	0.2
68.99778	0.4
69.03434	0.3
70.45154	0.8
79.05505	0.8
80.06273	0.3
81.03427	12.9
81.65749	0.2
83.04995	0.7
84.54139	0.2
85.02901	0.5
88.52065	0.2
91.05490	1.6
93.03416	0.3
94.04176	0.4
95.04965	0.6
97.02911	1.4
103.05489	1.2
105.03413	0.8
105.07059	0.5
106.04210	0.4
107.04970	3.8
108.05774	1.2
109.02847	0.4
111.04451	0.7
115.05465	1.0
117.07024	1.1
119.04928	0.4
121.06519	0.7
122.03680	0.4
123.04453	0.6
125.02374	2.9
128.06239	1.2
129.07016	0.9
131.04951	2.3
131.08595	0.6
132.05653	0.3
133.06514	0.8
135.04437	2.0
136.05215	1.8
137.02327	0.6
137.05991	5.8
138.06755	0.4
141.07001	0.6
143.04903	0.3
143.08575	0.3
144.05704	0.6
145.06499	4.6
146.07289	1.1
148.05183	0.5
149.05991	0.3
151.04044	3.4
151.07559	100.0
152.06291	0.3
152.07864	0.7
153.07076	0.3
155.03403	3.5
156.05675	0.6
157.06502	1.4
158.07295	1.5
159.04419	0.6
159.08072	1.9
160.05235	0.8
160.08864	1.0
161.06038	1.9
161.09674	0.2
162.06754	0.3
163.07570	1.4
165.01859	0.3
165.05495	0.9
165.06865	0.4
167.03412	0.8
167.07060	0.9
169.06464	0.5
171.08058	1.6
172.08853	3.7
173.05986	2.1
174.06772	2.4
175.03940	0.6
175.07568	3.1
176.08368	2.0
177.09155	1.4
179.03435	0.3
180.05807	0.3
181.04950	1.1
181.06520	1.4
182.07315	0.4
183.08093	0.9
185.05943	0.4
186.06837	0.4
187.07545	2.3
188.08363	5.6
189.09128	23.8
190.06323	0.4
190.09663	0.5
191.07057	3.6
191.10715	1.4
195.08073	0.7
196.08852	3.5
197.05960	0.3
199.07602	0.8
200.08363	1.0
201.05464	0.3
201.09138	4.2
202.09927	3.1
203.06995	0.9
203.10686	6.8
204.07907	0.4
205.08638	1.3
207.08115	0.3
208.08847	0.5
209.09676	0.6
210.10327	0.4
211.07524	0.9
212.08372	1.2
213.09142	3.2
214.09889	0.4
215.10701	0.9
216.07883	1.0
217.08643	1.0
219.08221	0.8
219.10182	15.1
220.07298	0.4
221.11743	0.3
222.10640	0.2
223.07594	0.4
224.08318	0.6
225.09192	0.4
226.09872	1.4
227.10696	5.1
229.08568	0.4
231.10191	13.6
232.08667	0.3
234.06871	0.3
234.10521	0.6
235.07521	0.7
235.09721	0.5
237.09160	0.4
237.87636	0.3
238.10020	0.6
239.10727	1.3
241.08795	0.3
241.12233	0.6
243.10222	0.5
249.09167	0.4
249.11270	9.3
250.09923	0.4
251.10809	0.4
252.11411	0.3
253.08740	0.4
253.12199	0.6
254.09341	0.3
255.10112	0.6
263.06845	0.5
263.10925	0.5
264.11310	0.3
265.08698	0.3
265.12186	0.7
266.06848	0.3
267.10263	0.8
269.11758	0.5
270.12479	0.8
271.09811	0.3
277.08417	0.4
281.11780	0.8
283.13080	0.3
291.10263	0.8
293.11752	0.5
295.09784	0.5
297.11438	0.3
305.08044	0.2
306.08472	0.2
307.09390	0.3
309.11218	3.6
311.12723	0.8
313.10617	0.3
319.09827	0.4
325.10840	0.8
327.12405	0.7
335.09360	0.3
337.10782	1.7
339.12387	0.9
355.11786	1.6
357.13388	6.3
367.11832	1.0
373.12891	0.3
385.12888	3.9
387.14566	1.5
390.63626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.0
57.95238	0.4
65.03939	0.5
65.36538	0.7
67.05508	1.5
68.99810	1.1
69.03426	0.9
71.37573	0.8
71.37911	0.6
74.72718	0.6
78.04723	0.6
79.05506	2.4
81.03431	12.9
83.05006	1.4
85.02916	0.7
91.05487	3.7
93.07056	0.6
95.04985	1.7
97.02905	3.0
103.05482	1.0
105.03408	1.3
105.07033	1.3
107.04967	5.1
107.08626	0.6
108.05741	1.7
109.02878	1.5
111.04456	2.0
113.02517	0.5
115.05474	2.3
116.06248	0.7
116.98164	0.5
117.07021	2.6
119.04964	1.0
121.06512	1.9
122.03612	0.5
123.04432	1.4
125.02374	6.7
125.66047	0.6
128.06245	2.4
129.07022	3.4
130.07755	0.6
131.04951	2.5
131.08598	2.0
132.05727	0.6
133.06517	0.8
135.04436	2.4
136.05270	2.7
137.02313	0.6
137.06027	3.6
141.07013	1.1
143.04901	1.6
143.08627	1.0
144.05705	2.3
145.06506	12.1
145.07648	0.7
146.07298	2.5
147.08047	0.8
151.04013	4.1
151.07561	100.0
153.07068	0.7
155.03435	7.4
155.06082	1.0
156.05711	1.0
157.06525	3.7
158.07286	5.8
159.04404	2.1
159.08073	5.5
160.05197	2.2
160.08859	2.5
161.06020	4.6
162.06827	1.3
162.64488	0.5
163.03825	0.8
165.05493	1.4
165.06927	1.4
166.07800	0.7
167.03448	2.7
167.07065	6.3
168.05768	0.5
169.06487	0.7
171.04375	0.7
171.08055	4.2
172.08862	11.0
173.06012	7.0
174.06795	12.8
175.03958	1.4
175.07556	7.5
176.08368	4.7
177.09087	4.5
180.05690	0.8
181.04906	1.8
181.06514	1.9
182.07253	1.0
183.08095	1.5
184.08980	0.9
185.05974	0.7
187.07564	6.7
188.08344	16.3
189.09126	76.2
190.06174	0.6
190.09529	1.1
191.03435	0.6
191.07056	1.2
191.09027	0.8
191.10667	5.1
194.07259	0.8
195.08044	2.2
196.08847	8.3
197.06090	0.8
197.09708	0.7
198.06804	1.1
199.07518	0.9
200.08368	3.0
201.05450	1.5
201.09132	13.0
202.09894	9.1
203.07030	1.2
203.10696	23.8
205.08638	3.1
207.08104	1.2
208.08844	1.2
209.09691	1.3
210.10478	1.0
211.07608	1.5
212.08347	2.0
213.09128	6.3
214.09789	0.7
215.10681	1.6
216.07822	2.3
217.08533	2.4
219.08176	1.2
219.10167	16.1
221.09669	0.7
221.11673	0.7
222.10353	0.9
224.08311	0.8
225.09082	1.1
226.09950	4.2
227.10684	8.6
229.08665	1.0
231.10185	30.7
232.10724	1.1
234.10393	0.9
235.07532	1.2
237.09271	0.8
238.09877	1.2
239.10687	1.9
240.07808	0.9
241.08646	1.1
241.12244	0.9
243.10190	1.1
249.08798	1.3
249.11279	21.6
250.09863	0.9
251.10768	1.3
252.11475	0.8
253.12180	1.2
255.10216	2.0
257.11673	0.7
262.09973	0.6
263.07144	0.9
263.10611	1.1
265.12357	1.0
267.10208	1.1
269.11819	1.5
270.12463	2.4
278.09363	1.3
279.10318	0.8
281.11792	2.1
283.09674	0.9
283.13052	1.0
291.10144	1.2
293.08463	0.7
293.11719	1.6
295.09561	0.7
297.11096	0.8
306.08817	0.6
307.09818	0.7
309.11285	6.3
311.12744	1.9
325.10724	1.6
327.12259	1.3
337.10739	3.2
339.12277	2.1
355.11926	2.9
356.12454	0.8
357.13348	10.7
367.11707	1.9
371.14600	0.9
385.12842	7.6
387.14243	1.3
444.12793	0.6
770.26190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
56.05050	0.7
58.00883	0.2
58.06607	100.0
59.06946	0.4
69.03439	2.0
71.52857	0.5
73.02953	0.3
74.89731	0.3
80.35185	0.2
81.03422	2.6
85.02921	2.6
87.00839	0.5
89.03941	0.9
91.05523	0.3
97.02918	0.6
99.04482	0.7
105.01871	0.3
105.07078	0.2
107.04937	0.3
109.02882	1.6
115.05493	1.2
117.03395	3.3
117.04138	0.3
117.05795	0.4
125.22166	0.2
127.03923	1.7
131.04958	0.4
132.08122	0.8
133.06549	0.3
134.03609	0.2
134.06078	0.8
135.60962	0.2
137.05981	2.2
137.06754	0.2
138.79018	0.2
139.03918	0.4
143.04982	1.0
144.05728	0.4
145.02866	10.4
146.06033	3.4
149.06059	0.9
151.03925	1.2
159.02994	0.2
160.04008	0.7
160.05359	0.7
160.07596	11.0
161.06024	0.6
163.03981	0.5
170.05984	1.1
175.07544	4.2
177.05489	19.7
181.05040	0.3
184.07605	1.1
186.05566	1.3
187.06123	0.4
188.07245	0.3
189.05565	0.8
191.08243	1.0
202.08652	0.3
205.13390	4.0
212.07275	0.5
279.08902	0.5
294.11267	1.6
303.08813	0.3
307.12869	0.4
308.12912	0.5
318.11362	0.5
321.09949	0.7
325.14047	1.4
336.12332	5.3
336.16284	0.3
339.10849	0.4
378.13608	0.2
483.09528	0.4
498.17648	0.5
529.35925	0.2
543.23456	6.5
675.62335	0.2
747.29797	5.3
791.28754	33.4
792.29279	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
55.05502	0.3
55.26496	0.1
56.05038	0.8
57.07084	0.2
58.06356	0.1
58.06619	0.4
60.08168	6.6
67.05487	0.5
69.07071	0.3
70.06564	0.2
71.07377	3.9
79.05505	0.3
81.07063	0.7
83.08631	0.2
86.09711	31.1
91.05502	0.2
93.07047	0.4
95.08607	0.3
98.97869	0.3
98.98469	3.5
104.10746	2.8
105.07039	0.3
109.10208	0.2
119.08585	0.3
121.10195	0.2
125.00013	23.4
133.10126	0.2
136.06194	0.2
143.01083	0.2
166.02628	0.2
169.24754	0.1
184.07350	100.0
185.07693	0.5
197.97159	0.2
212.25713	0.1
234.13509	0.2
267.74655	0.1
275.20108	0.2
349.23932	0.1
496.33957	0.2
526.67627	0.2
610.46118	0.3
618.45575	0.2
690.47192	2.0
727.31482	0.1
772.55023	1.4
790.41333	0.3
790.55957	4.8
791.55646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.5
55.05268	2.5
55.05516	37.5
56.54794	2.0
57.03444	20.5
57.07079	6.0
59.05005	42.5
61.02926	2.0
63.04662	1.8
65.03928	3.1
67.05511	100.0
69.03419	6.1
69.07076	15.2
69.40762	14.8
71.05003	10.8
71.08623	2.6
73.02911	1.7
77.88383	2.1
79.05074	3.7
79.05499	48.1
81.03423	11.6
81.06588	3.8
81.07061	61.3
83.04985	5.6
83.08617	16.7
85.02900	6.3
85.06528	2.2
86.09718	3.2
87.04478	55.0
89.06026	7.0
91.05492	23.3
93.07059	41.4
95.04977	3.4
95.08615	39.1
97.02892	6.1
97.06607	4.1
97.10187	17.1
98.20749	2.6
99.04460	14.8
99.08077	2.9
105.04534	2.1
105.07044	19.0
107.08603	24.9
109.06525	3.7
109.10172	57.3
111.04428	3.9
111.08089	4.4
117.07004	10.4
119.08598	15.9
121.06474	2.6
121.10173	19.2
122.76554	1.9
123.08088	3.2
123.11721	4.9
124.99923	3.5
125.09634	14.2
129.07005	3.7
131.08571	8.7
133.08595	4.9
133.10135	8.2
135.11719	13.1
137.09668	4.0
145.10101	10.7
147.11681	8.4
149.09744	2.2
149.13271	4.5
153.12721	2.0
155.10626	2.9
157.10120	2.8
159.11703	4.6
161.13239	4.7
163.11160	4.5
173.11761	16.4
173.13214	4.4
177.12741	2.5
184.07326	12.8
189.11287	2.2
193.12308	3.9
199.13345	7.8
208.47038	2.0
209.11723	2.6
218.04810	1.9
227.12732	10.1
229.14365	45.0
241.14514	3.6
257.13815	4.1
259.20453	2.3
261.22083	12.6
267.15945	6.0
268.16391	2.0
315.18054	8.9
317.24692	2.1
326.89426	2.5
335.25821	64.9
336.26227	3.4
363.25412	5.3
466.50189	1.9
477.35718	17.3
489.35800	55.7
502.84686	2.2
543.36627	3.2
575.38892	2.2
587.50092	2.4
589.32660	2.0
639.04120	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	790.495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.3
55.05516	37.1
57.03442	19.8
57.07068	2.6
59.05008	38.3
61.02918	3.4
65.03953	4.3
67.05511	100.0
69.03452	5.4
69.06725	1.4
69.07070	15.3
70.06596	0.8
70.96291	1.7
70.96641	0.7
71.01356	1.5
71.05000	12.6
71.08627	0.9
73.02917	0.9
79.05500	43.8
81.03426	7.7
81.07064	53.9
83.04987	4.9
83.08626	13.8
85.02902	6.3
85.06537	3.8
85.10167	1.0
86.09728	1.2
87.04477	57.6
89.06006	1.4
91.05488	21.2
93.07053	40.4
95.04992	6.4
95.08620	36.8
96.04484	0.8
97.02899	4.7
97.06550	4.6
97.10175	17.9
99.03841	1.3
99.04460	17.3
99.08096	1.3
105.04515	1.3
105.06396	1.2
105.07047	15.3
107.04955	2.8
107.08605	26.1
109.06525	2.6
109.10168	54.3
110.10514	0.8
111.04437	2.4
111.08085	3.8
113.06085	1.0
115.03914	1.3
117.07032	6.0
119.08592	15.7
121.06521	1.3
121.10156	18.0
123.04466	0.8
123.08091	1.9
123.11708	3.4
125.06001	1.1
125.09623	13.4
127.03925	1.8
129.07018	1.7
131.08586	10.5
133.10139	10.0
135.08035	0.8
135.11702	11.8
137.09615	3.1
137.13278	1.4
139.11127	0.9
143.08533	1.5
143.10670	2.2
145.10133	8.9
147.08096	1.0
147.11708	7.6
149.09619	2.6
149.13252	5.4
153.12747	1.6
154.65482	0.9
155.08548	1.9
155.10695	2.5
157.10146	1.5
159.11679	4.8
161.13254	4.0
163.11166	4.6
163.14874	1.9
171.11667	1.2
173.09613	1.4
173.11734	13.2
173.13254	3.5
175.11182	1.0
175.14857	1.4
177.12726	1.2
177.16368	0.8
181.12230	2.2
183.11665	1.2
184.07359	2.6
185.13264	1.1
187.14836	2.9
189.11256	1.7
191.10718	1.8
193.12257	1.5
199.13298	10.3
199.14957	1.1
209.11696	2.1
211.13240	1.6
217.14282	1.7
223.13264	1.7
227.12790	5.9
229.14369	44.0
241.14438	5.1
243.21078	3.7
257.13971	2.1
259.15353	1.9
259.20618	1.9
261.22180	11.7
262.22430	0.8
267.15918	6.2
271.20566	1.1
277.21500	1.7
283.15375	2.0
289.21640	1.0
315.18091	10.3
317.24844	2.9
327.23297	1.0
333.19339	1.2
333.24219	1.3
335.25818	64.5
336.26184	1.2
351.25415	1.4
363.25400	4.6
433.30743	1.2
459.34357	1.8
477.35760	24.0
489.35818	52.9
490.35849	2.3
517.35260	2.0
525.35492	1.9
543.36462	3.6
561.37524	1.9
575.39594	3.9
588.46344	1.0
593.39935	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	790.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	37.1
66.61913	19.9
67.05490	57.8
67.47170	23.0
69.07065	28.0
71.52489	40.5
79.05497	52.6
81.03423	41.4
81.07047	67.7
83.04942	26.4
91.05490	65.9
93.07050	40.5
95.08617	49.8
105.07048	47.1
119.08590	52.9
121.10123	23.0
129.06984	21.8
131.08646	29.2
132.60988	23.6
135.04428	57.8
151.07629	27.5
173.05984	52.0
184.07346	58.8
189.09122	100.0
201.09102	26.8
207.61943	20.7
292.19064	49.0
410.65768	28.3
542.35522	36.1
543.35974	25.0
789.49445	33.6
790.46802	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	790.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	23.5
57.03425	12.5
62.88419	9.9
67.05513	100.0
68.59007	12.1
69.03430	13.3
69.07043	17.8
71.25253	26.3
77.97929	10.7
79.05504	86.1
81.03422	56.5
81.07050	55.9
83.08614	30.2
86.09695	14.8
91.05487	75.7
93.07059	64.8
95.04985	31.1
95.08600	51.2
97.02940	17.7
97.10151	13.8
105.07021	55.3
107.08607	50.2
109.10162	34.2
117.07003	25.2
119.08566	47.2
121.10165	34.2
128.06210	10.9
129.07007	40.0
131.08583	26.3
133.10170	67.6
135.04433	81.9
135.11679	15.8
136.21140	12.3
141.06981	16.5
143.08580	18.5
145.10106	32.9
147.11673	28.6
149.09628	13.4
151.07561	31.1
155.03407	12.8
157.06541	28.4
159.08151	12.8
159.11717	23.3
171.04288	11.7
171.11684	14.3
173.06000	76.9
174.06331	20.9
184.07330	27.5
185.06071	29.9
187.07556	18.2
188.08308	22.2
189.09120	57.7
193.12192	14.6
203.10608	22.5
215.07082	33.0
216.07457	13.5
229.14268	17.4
231.10225	28.9
233.08162	12.8
248.75810	12.0
249.11218	53.0
259.20599	28.9
267.15942	29.6
275.20200	29.0
319.98874	14.8
337.10721	12.3
339.30295	15.6
423.27545	14.6
433.30667	16.4
503.33557	25.9
525.35583	51.3
543.36676	85.5
575.35767	14.8
626.08313	17.3
719.84180	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	789.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	1.2
67.05507	1.4
67.12439	0.5
70.06612	0.9
70.87131	1.4
79.05504	2.7
80.05003	1.2
81.03434	3.1
81.07060	0.9
82.06597	1.2
83.28652	0.5
83.39603	0.4
84.08158	0.6
85.02911	1.4
91.05481	2.9
93.05782	1.7
93.07050	3.1
94.06571	7.7
95.04977	1.4
95.07373	2.9
96.08137	6.9
97.02911	1.6
99.04448	0.6
103.05491	1.6
104.05025	0.6
104.99445	0.5
105.04610	0.6
105.07037	0.7
106.06590	2.5
107.07364	1.9
108.04492	1.5
108.08126	18.9
109.02892	1.0
110.06060	0.5
110.09686	9.5
116.04971	1.1
117.05717	0.5
117.07214	0.5
118.06568	1.3
120.04471	1.3
120.08113	14.3
120.08946	1.1
121.06468	0.9
122.06036	14.1
122.06908	0.9
122.09672	6.4
124.06854	0.5
124.07582	3.4
127.03885	0.7
132.08116	2.3
133.06552	0.6
134.06033	3.5
134.09666	1.1
136.07587	29.6
137.06012	0.7
138.05508	1.4
138.09149	17.3
144.04478	1.2
144.08093	0.8
146.05998	6.1
146.09679	0.9
148.07573	14.8
150.09140	8.2
151.03943	1.3
152.07079	13.5
152.08281	0.7
158.09692	1.0
160.04013	1.8
160.07622	4.3
162.05560	1.9
162.09195	1.4
164.07094	3.2
166.08655	15.3
167.07063	2.8
170.09718	0.6
172.03947	6.7
172.07555	0.7
174.05507	2.9
174.09169	1.4
176.07120	1.8
178.08659	1.5
180.10252	1.0
181.04984	0.9
182.08212	0.9
183.09207	0.6
184.09969	0.9
188.07124	0.8
190.04994	6.7
194.08232	1.3
196.09808	0.6
196.11374	0.8
197.10802	2.0
198.11555	2.9
199.08733	0.8
199.12375	2.0
200.07062	0.7
202.08665	1.0
204.06554	5.5
207.06679	0.7
208.09802	1.7
209.10692	2.4
210.09850	0.6
210.11415	2.7
211.12326	9.8
212.09517	1.5
212.13052	2.7
213.10246	2.8
213.13881	1.6
220.09891	0.6
221.08583	0.5
221.10858	1.8
222.07814	0.5
222.11310	1.1
223.08818	1.2
223.12309	5.2
224.09468	1.8
224.13161	1.9
225.10271	10.9
225.13748	3.5
226.11015	5.9
226.14685	0.5
227.11794	7.6
229.09955	0.9
229.13458	1.4
233.10870	0.9
234.11650	0.6
235.08812	1.6
235.12262	3.3
236.09491	1.6
236.13199	1.1
237.10228	11.9
237.13985	1.5
238.11018	8.3
239.11818	22.2
240.12602	6.0
241.09744	1.6
241.13377	3.8
243.11388	0.9
245.12921	0.8
246.11255	0.7
247.12488	0.7
248.09518	1.4
249.10199	6.3
250.11072	4.9
251.08350	1.4
251.11803	24.9
251.45616	0.6
252.06555	0.5
252.08815	2.4
252.12582	8.4
253.09727	4.1
253.13379	8.8
254.10461	0.7
254.14185	1.8
255.11238	5.4
257.12930	0.9
259.14548	1.0
261.10300	1.2
262.11075	3.0
263.08768	0.8
263.11813	15.7
263.14459	0.9
264.08990	2.2
264.12634	4.1
265.09848	8.6
265.13452	8.1
266.10605	7.0
266.14215	3.1
267.11316	24.6
267.14493	1.3
268.12027	1.9
269.12814	4.2
271.10904	2.0
271.14456	1.8
273.12341	1.1
275.08856	0.6
275.11807	1.6
276.12659	1.7
277.10318	3.8
277.12988	4.2
278.10550	5.0
278.13589	0.9
279.11307	35.0
280.12070	8.9
281.09763	1.2
281.12851	12.4
282.13516	0.9
283.10883	2.4
283.14581	1.6
284.11600	3.1
285.12381	18.1
287.14172	0.6
291.11322	10.5
291.14484	0.9
292.12006	3.2
293.09302	1.8
293.12799	9.7
295.10889	3.7
295.14490	1.6
296.11612	2.3
297.12350	20.1
298.13000	2.9
299.13904	8.1
303.11197	1.0
305.09277	1.2
305.12994	1.4
307.10928	3.8
307.14014	0.7
308.11676	1.2
309.12323	6.5
310.13116	2.2
311.10367	2.0
311.13889	20.6
312.10913	1.0
312.14508	1.1
313.12091	1.1
313.15594	2.2
314.16452	0.7
315.05069	2.8
315.13794	0.8
316.14560	0.7
318.16306	0.7
319.10858	5.6
320.11206	0.8
321.12344	10.9
322.12976	2.5
323.10379	5.4
323.14038	3.4
324.10867	0.9
325.11865	4.8
325.15283	0.8
326.12872	1.0
327.13437	6.7
328.14514	1.8
329.15265	1.9
330.16113	2.5
332.17477	1.1
333.12433	1.0
335.14151	1.1
337.11887	3.9
337.15546	0.9
338.12875	0.7
339.13452	7.8
339.17282	0.4
340.14133	1.6
341.15121	2.9
342.16107	1.5
343.13138	1.1
343.16891	1.0
344.14175	1.1
344.17676	2.4
346.19257	1.0
351.13626	2.4
353.15048	2.0
354.16238	1.3
355.13049	2.6
355.16980	1.2
356.14032	2.0
356.17847	1.0
357.14630	3.4
358.15570	3.2
358.19174	0.9
360.17020	0.8
363.13467	1.5
364.14328	0.9
365.11200	1.2
365.15091	1.8
367.13065	1.7
367.16989	0.7
368.17883	0.7
369.14459	4.7
370.15576	2.5
370.19513	0.9
371.16171	1.8
372.16986	3.2
374.18820	1.3
376.20422	1.2
379.12723	2.5
381.14322	2.6
382.15576	0.9
383.16318	2.2
384.17249	2.1
385.13739	0.8
385.17987	1.0
386.14505	0.8
386.18994	3.5
387.15231	0.9
388.16324	1.2
388.20779	0.7
390.18100	1.2
393.14462	3.1
395.16333	1.5
396.17270	1.1
398.14697	0.9
399.15872	2.8
400.16342	5.2
401.17188	1.7
402.18179	2.6
403.19009	0.8
404.19745	2.9
405.14612	1.5
407.16077	0.8
409.13763	1.1
411.15536	10.0
412.16534	4.2
413.17270	1.6
414.18210	2.7
416.20175	1.1
417.15161	1.3
418.21512	2.2
421.14114	1.0
422.20868	0.7
423.15518	2.9
424.16739	2.1
425.17282	1.3
426.18469	0.7
427.15155	2.4
428.15555	1.1
428.20361	1.2
429.16617	11.1
430.17474	5.3
431.18359	1.9
432.19336	3.6
435.15759	2.6
437.17297	1.0
439.14929	2.8
441.16611	8.0
442.17383	2.6
444.19504	1.5
445.14737	0.8
446.20831	3.9
448.18729	1.2
449.13266	0.9
450.20255	3.4
451.14969	0.9
453.16751	4.6
454.17615	0.9
457.16183	0.9
458.16864	1.1
459.17755	3.4
460.18863	2.0
462.20428	1.4
463.14935	2.4
464.21967	0.7
465.16653	1.9
467.14343	3.1
469.16336	2.8
471.17654	9.3
472.18729	2.1
474.20499	2.1
481.16077	10.0
483.17563	0.7
484.19296	0.7
486.20462	0.7
490.19806	1.0
492.21582	1.4
499.17209	2.0
500.17712	0.7
501.18588	1.4
506.22900	0.8
516.21118	1.0
530.23181	1.0
532.20850	0.9
534.22131	1.3
540.20972	0.7
544.20709	1.2
546.22308	1.9
550.21814	0.8
556.20709	3.4
557.22052	0.9
558.22345	2.8
562.22150	1.5
565.24371	1.0
566.25049	3.8
568.20929	1.4
570.22485	0.9
574.21863	4.5
575.22595	1.4
576.24091	2.4
577.24084	0.9
578.25427	3.1
580.22937	3.1
586.22015	1.8
588.23615	1.7
590.25073	4.0
591.23865	1.5
592.22870	6.1
593.23724	34.6
594.24487	27.7
595.25250	1.8
598.21887	0.6
604.22858	2.2
606.24512	18.4
607.25055	1.6
613.26404	0.9
616.23126	1.7
618.24548	10.9
618.33942	0.9
619.25153	1.0
620.22400	20.9
621.23248	17.0
622.23981	13.0
634.23999	45.0
635.24738	7.4
636.25378	6.0
652.25073	2.0
655.27258	0.9
666.26624	35.7
667.27356	11.8
668.28381	1.2
675.27960	1.5
693.29437	0.7
703.28101	1.3
711.30066	1.8
713.32147	0.9
721.28595	4.5
729.31561	2.9
739.16663	1.0
739.29840	17.2
757.30847	100.0
758.31061	4.8
789.33569	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	789.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
55.05507	0.4
58.04049	0.2
65.03937	0.6
66.68272	0.2
67.05497	0.4
68.99780	0.3
69.03446	0.4
69.47665	0.3
69.48066	1.1
70.06626	0.2
76.00569	0.2
77.03925	0.3
78.04716	0.2
79.05496	1.0
80.06279	0.4
81.03426	12.2
83.04974	1.0
83.13084	0.2
85.02904	0.3
89.03902	0.2
91.05485	1.8
93.03394	0.3
93.07042	0.2
95.04972	0.7
97.02894	0.9
103.05473	1.2
105.03397	0.6
105.07034	0.7
107.04966	3.3
108.05780	1.1
109.02908	0.6
111.04470	0.5
111.53249	0.2
115.05425	1.1
117.07022	0.8
118.04195	0.5
119.05006	0.4
119.08566	0.3
121.02870	0.2
121.06522	0.9
123.04479	0.3
125.02371	3.1
128.06235	0.7
129.07013	1.4
131.04939	1.7
131.08572	0.6
133.02855	0.3
133.06502	0.6
135.04430	7.8
136.05219	1.8
137.02347	0.2
137.05994	0.4
138.06718	0.3
141.07004	0.5
143.04921	0.7
143.08560	0.4
144.05725	0.4
145.06493	4.1
146.07285	1.1
147.04449	0.3
147.08080	0.2
148.05226	0.5
149.02359	3.4
151.07555	100.0
152.06172	0.2
152.07932	0.9
153.07048	0.3
155.03416	3.5
155.04741	0.3
156.05699	0.4
157.06502	1.8
158.07246	1.1
159.04453	0.7
159.08034	1.3
160.05167	0.5
160.08842	1.0
161.06007	1.3
162.06757	0.3
163.07573	0.8
165.01938	0.2
165.05487	1.1
165.06816	0.3
165.09138	0.2
167.03400	0.6
167.07114	1.0
168.05840	0.2
171.08102	1.3
172.08823	2.5
173.05997	5.0
174.06743	1.6
175.03972	0.7
175.07481	0.9
176.08385	1.6
177.05504	0.3
177.09206	1.1
178.07895	0.2
179.03426	0.3
181.05029	0.4
181.06546	0.8
182.07263	0.3
183.08060	0.4
185.05956	1.1
186.06729	0.4
187.07581	2.1
188.08337	4.7
189.09122	19.1
190.09521	0.3
191.07030	2.5
191.08652	0.4
191.10648	1.4
195.08138	0.7
196.08858	2.7
197.05972	0.5
197.09525	0.2
198.06734	0.5
199.07550	0.4
200.08357	0.9
201.05537	0.4
201.09129	3.8
202.09923	2.0
203.06975	1.3
203.10669	5.0
205.06627	0.4
205.08638	0.5
207.08090	0.3
209.09686	0.4
210.10419	0.2
211.07610	0.6
212.08362	1.1
213.09109	2.3
215.07091	1.3
215.10687	0.4
216.07779	0.6
217.08611	0.5
218.07498	0.3
218.09497	0.3
219.10170	15.1
220.07187	0.3
222.10382	0.3
223.07446	0.3
224.08359	0.3
225.09088	0.4
226.09883	1.1
227.10681	3.1
229.08698	0.4
231.10182	9.5
233.07809	1.0
234.10521	0.5
235.07558	0.5
236.08548	0.2
237.09195	0.3
238.09935	0.4
239.10686	0.5
241.12411	0.3
247.07581	0.3
247.09830	0.3
248.08426	0.5
249.09087	0.4
249.11250	8.2
250.09831	0.3
251.10776	0.3
252.11290	0.3
253.08679	0.3
253.12170	0.4
255.10181	0.7
257.11533	0.3
263.10733	0.5
265.12338	0.5
267.10278	0.4
269.11722	0.5
270.12494	0.7
278.09418	0.4
279.10098	0.3
280.40939	0.2
281.11801	0.7
283.09592	0.3
283.13177	0.3
291.10056	0.6
293.08160	0.3
293.11673	0.4
297.11163	0.2
299.12903	0.3
309.11285	2.1
311.12866	0.6
319.09631	0.2
325.10806	0.4
327.12216	0.3
337.10760	1.1
339.12366	0.8
355.11807	1.3
357.13358	3.8
367.11786	0.7
373.12759	0.3
383.60489	0.2
385.12833	5.3
403.13928	0.3
683.88934	0.2
709.79114	0.2
789.39716	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.4
55.05515	0.5
58.69530	0.3
65.03941	1.2
66.41084	0.4
67.05517	1.2
68.99789	1.7
69.03436	0.6
70.76794	1.0
71.01329	0.4
73.47259	0.3
73.66768	0.3
79.05498	1.7
81.03424	9.9
81.47430	0.4
83.04990	1.1
85.02917	0.9
85.33411	0.3
91.05485	3.8
93.03414	0.4
95.04990	1.2
97.02905	3.4
98.20834	0.5
99.00856	0.4
103.05470	1.1
105.03436	0.7
105.07054	1.5
106.04156	0.4
107.04964	5.4
108.05725	1.9
109.02887	1.3
109.06544	0.4
111.00832	0.7
111.04472	0.9
115.05456	3.0
116.06225	1.0
117.07040	2.7
119.04941	0.8
121.02888	1.1
121.06516	3.3
123.04463	1.8
125.02369	8.7
128.06200	3.7
129.07010	3.0
131.04933	3.8
131.08578	1.6
132.05740	0.7
133.02901	0.6
133.06491	1.6
135.04431	3.3
136.05203	3.7
137.02350	1.8
137.05995	1.1
138.06732	1.3
139.03943	1.3
139.07500	0.5
141.06998	1.5
142.07805	0.6
143.04915	1.5
143.08575	1.6
144.05698	2.1
145.06494	15.0
146.07292	3.6
147.04457	0.8
147.08047	1.1
149.02336	1.3
149.06003	0.8
151.03940	12.5
151.07553	92.3
152.06270	0.7
152.07886	1.1
153.01842	0.6
153.07001	0.6
155.03403	11.3
155.04771	0.7
155.06038	0.5
156.05730	0.9
157.02855	0.5
157.06505	5.3
158.07310	5.8
159.04453	4.4
159.08073	9.2
160.05231	2.1
160.08832	3.3
161.04794	0.6
161.06004	5.8
161.09666	0.6
162.06784	1.4
163.03908	1.1
163.07588	0.7
165.01837	1.2
165.05498	4.3
165.07030	1.2
165.09114	0.5
166.02733	0.5
167.03418	5.3
167.04781	0.6
167.08572	0.5
168.05724	0.5
169.06450	0.8
170.07292	0.5
171.04416	0.4
171.08057	4.9
172.08853	14.7
173.05994	8.8
174.06778	14.6
175.03934	1.7
175.07555	7.3
176.08350	7.3
177.05513	0.7
177.09116	6.6
178.07675	0.5
179.03404	6.2
179.07014	0.7
179.08543	0.9
181.04948	1.3
181.06508	2.5
182.07257	1.7
183.02921	0.4
183.08080	1.6
184.05118	0.6
184.08910	0.6
185.06026	1.3
186.06766	0.9
187.03915	0.6
187.07555	7.7
188.07024	0.3
188.08333	19.9
189.05582	6.3
189.09122	100.0
190.09644	2.2
191.03456	1.0
191.06981	0.8
191.08755	0.6
191.10683	4.3
194.07335	0.5
195.08083	2.4
196.08829	6.9
197.06065	0.6
197.09438	0.7
198.06783	1.1
199.07614	2.0
200.08374	3.2
201.05501	4.1
201.09120	16.4
202.07982	0.8
202.09892	12.2
203.07166	1.8
203.10677	32.0
204.07800	0.8
204.11032	0.8
205.08652	0.8
207.08046	0.9
208.08861	1.4
209.04469	1.5
209.09653	1.2
210.07030	0.5
210.10443	1.0
211.07585	1.6
212.08327	2.9
213.05760	0.5
213.09111	8.0
214.09850	0.9
215.07060	0.8
215.10660	2.1
216.07785	2.4
217.04993	0.5
217.08580	1.6
218.07430	0.6
218.09380	1.0
219.06540	1.2
219.08173	1.3
219.10147	14.8
220.07230	0.5
221.05963	0.5
221.09691	1.0
221.11783	1.1
222.10368	0.7
223.07484	0.8
223.18413	0.4
224.08350	1.8
225.05539	0.6
225.09186	1.8
226.06410	0.5
226.09923	2.8
227.10666	9.6
228.11392	0.6
229.08594	0.9
230.09401	0.6
231.10178	44.4
232.08746	0.8
232.10861	0.7
233.09834	0.4
234.06763	0.6
234.10429	0.7
235.07651	2.2
236.08322	0.8
237.09125	1.4
238.09846	1.4
239.07191	0.5
239.10654	3.0
240.11697	0.4
241.04889	0.5
241.08617	1.3
241.12314	1.6
243.10213	0.9
247.07536	1.1
248.08382	1.0
249.11259	29.2
250.09930	1.7
251.07108	0.7
251.10670	1.7
252.07793	0.7
252.11540	1.1
253.08644	0.9
253.12227	1.7
254.09485	0.8
254.13101	0.5
255.06543	0.6
255.10236	2.1
256.11041	0.6
257.11734	0.7
261.09137	1.0
262.09821	0.9
263.07037	1.2
263.10864	1.8
264.07779	1.0
264.11505	0.5
265.08609	0.9
265.12170	1.1
266.09354	1.1
267.06772	0.4
267.10193	2.1
268.10931	0.6
269.08115	0.7
269.11707	2.1
270.12494	1.6
271.09546	0.6
275.07248	0.5
276.07837	0.8
277.08536	1.8
278.09430	2.1
279.06546	0.7
279.10184	1.7
280.10922	0.5
281.08655	0.6
281.11691	2.9
282.08875	1.1
283.06381	0.5
283.09784	1.0
283.13202	0.9
285.07706	0.8
289.08569	0.5
291.06812	0.8
291.10144	2.6
292.07095	0.6
293.08005	1.4
293.11716	2.6
294.08774	1.3
295.09781	2.0
297.07568	2.4
297.11319	1.3
298.08295	1.4
299.09436	0.7
299.12622	0.9
305.07977	1.1
306.08777	1.2
307.06253	0.5
307.09546	1.9
308.10403	1.4
309.07764	0.7
309.11188	8.2
311.09476	0.8
311.12802	1.4
313.10797	0.9
318.08694	0.6
319.09711	1.4
320.10419	0.9
321.11206	1.6
323.09128	1.2
324.09869	0.5
325.10727	2.4
327.12277	2.5
335.09198	0.6
336.09857	0.5
337.10660	6.9
338.11453	0.9
339.12289	5.7
349.10809	1.9
351.12393	2.6
353.60004	0.4
355.11823	5.8
356.12564	4.9
357.13361	12.0
367.11746	5.4
368.12445	0.8
369.13300	1.7
373.12741	1.5
385.12833	15.4
403.13760	1.4
551.35040	0.4
555.16309	0.7
723.24268	0.6
726.55804	0.5
757.85858	0.4
789.26892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	10.7
56.49645	1.0
57.03423	3.8
61.02925	3.9
67.01869	1.8
68.99817	1.4
69.03416	3.2
70.06595	1.3
71.52066	1.6
73.02918	2.5
73.29152	0.9
81.03422	4.3
85.02913	13.1
86.34102	1.0
91.05513	3.2
95.04949	1.8
97.02895	3.9
103.03955	8.6
103.05431	1.5
104.58444	1.0
105.03397	3.2
105.07021	1.5
107.04969	2.7
109.02898	5.2
111.00864	1.3
115.05439	3.3
117.07019	1.1
119.04938	2.6
121.02885	5.2
123.04436	6.2
127.03936	2.2
128.06306	1.3
129.06990	2.4
131.04935	6.4
133.02838	2.4
133.06479	3.2
135.04401	3.1
137.02333	2.5
137.05994	2.5
139.03850	1.6
141.06963	2.1
143.04942	1.6
145.02789	1.7
145.04962	4.3
145.06502	2.7
147.04420	15.3
149.02341	2.4
149.05969	0.9
151.03922	12.0
157.06470	2.3
159.04422	4.5
161.02347	1.6
161.06035	7.0
161.47087	1.0
163.03920	17.3
165.05502	3.8
167.03394	1.5
169.04947	1.3
169.06485	2.8
171.04417	11.3
173.02347	4.3
173.05968	6.1
175.03925	27.6
175.07437	1.1
176.04588	1.4
177.01802	5.0
177.05466	5.4
179.03477	1.6
181.04951	4.9
181.06454	1.9
185.05959	5.9
187.03938	34.8
189.01813	2.7
189.05499	14.6
191.03436	5.8
193.04976	29.4
195.02911	4.9
197.06053	3.1
199.03896	7.6
199.07549	1.1
201.01920	5.7
201.05511	8.5
203.03380	5.9
203.07056	3.3
205.04982	100.0
206.05426	1.5
207.02922	9.5
207.06551	3.6
209.04512	2.3
211.03922	3.0
213.01976	2.2
213.05475	11.5
215.03505	6.6
216.04103	1.3
217.04982	71.7
218.05585	1.2
219.02917	29.3
219.06537	4.0
221.04488	8.5
223.06056	2.4
225.03780	2.8
225.05450	4.3
227.03445	2.3
227.06961	2.8
229.01318	1.3
229.04974	21.2
231.02982	10.6
231.06525	19.9
233.04468	9.3
235.06023	41.4
237.03734	7.0
239.03487	1.9
241.04999	12.4
243.02914	4.8
243.06560	6.1
245.00989	1.0
245.04289	5.3
247.02304	1.5
247.03313	1.4
247.06021	20.7
249.03882	7.0
253.04979	13.3
255.03029	1.3
255.06555	7.6
257.04465	9.0
257.07846	1.5
259.02661	2.5
259.06049	72.0
261.03922	13.2
263.05466	3.2
265.04916	1.8
267.02744	1.8
267.06543	2.2
269.04425	3.4
271.06036	73.5
272.06342	1.1
273.03970	8.1
273.07538	3.8
275.05530	5.6
277.04480	1.5
277.07114	10.4
279.06705	1.5
281.04663	1.9
283.06039	28.9
285.03931	7.1
285.07227	2.0
287.05560	2.6
289.07132	9.2
291.04919	2.1
295.05573	1.5
295.08289	3.4
297.03528	1.4
297.06790	1.9
299.05475	2.8
301.03668	1.5
301.07065	34.0
303.05038	17.2
307.08414	6.6
309.06232	6.0
311.05609	2.1
313.03772	1.6
313.06708	6.4
315.05115	2.1
317.06656	2.3
318.06924	1.3
319.08295	26.3
321.06207	8.0
325.09671	12.0
327.04962	4.3
331.08255	1.4
335.05469	1.7
337.09390	15.3
339.07794	1.2
341.06592	2.9
343.08395	7.4
345.06104	4.1
347.05630	2.2
349.03345	1.5
351.05014	2.2
353.06897	1.8
355.04300	1.6
355.08316	3.0
361.09525	7.5
363.07535	6.4
365.06635	2.2
367.04419	3.0
367.08499	1.4
369.06079	3.8
373.09366	2.1
375.07574	2.0
377.06631	1.5
379.05066	1.6
379.10220	7.4
381.06009	2.7
383.07635	1.5
385.09357	1.3
387.07153	3.1
389.06458	2.1
391.10303	10.0
393.06387	3.9
395.07550	2.5
397.05380	5.7
399.07397	1.4
403.10211	3.0
405.08505	5.5
407.07626	2.1
409.05469	2.8
409.10696	1.2
411.07092	7.1
419.07428	1.6
421.11179	3.4
423.09351	6.4
431.07556	1.7
435.07153	8.0
437.08572	1.5
439.06860	1.3
439.12442	2.2
441.10294	4.2
447.07611	1.9
451.06516	1.4
453.08066	5.4
465.09415	2.0
471.08994	3.6
477.08301	5.3
489.09885	3.3
489.28598	1.1
495.09262	4.0
499.08603	4.7
501.09488	3.1
513.10376	12.4
517.09717	3.1
519.10223	4.1
531.10980	3.6
537.10181	6.0
549.10980	1.4
555.11432	17.2
567.11499	2.4
573.12677	5.3
579.11499	8.1
585.12103	2.7
597.12592	9.0
615.13239	5.4
621.13898	1.2
627.15338	2.7
633.14911	6.8
639.15558	30.7
651.15839	5.5
669.16241	4.1
675.14984	1.5
693.04425	1.3
693.16632	18.9
705.16693	14.7
717.16565	5.6
735.17853	5.6
753.18835	10.6
771.19257	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	788.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.0
55.05518	34.3
56.82781	1.1
57.03444	17.5
59.05009	65.8
61.02922	3.0
65.03936	3.1
67.05514	100.0
69.03439	6.2
69.07069	9.8
70.06586	5.0
70.30497	1.2
70.41637	1.1
71.05003	13.9
71.51954	1.4
73.02919	2.0
78.66946	1.1
79.05493	19.9
81.03434	10.7
81.07069	22.7
83.04990	6.0
83.08630	15.8
84.08132	1.1
85.02911	7.0
85.06533	3.9
87.04478	71.8
91.05489	15.9
93.07066	11.1
95.04971	5.4
95.08620	12.6
97.02889	3.9
97.06535	4.3
97.10183	20.0
99.04466	19.7
101.06031	1.5
103.03955	1.4
105.07030	4.1
107.04993	3.7
107.08607	15.0
109.02872	1.5
109.06526	3.2
109.10169	84.3
110.10445	1.2
111.04424	4.9
111.08086	4.0
115.03962	1.5
116.07085	5.3
117.07043	1.6
119.08607	10.2
121.06514	2.6
121.10143	3.7
123.04465	2.3
123.08111	1.7
125.09652	18.1
125.10480	2.2
127.03883	1.8
127.11169	2.0
129.05522	1.6
129.07016	1.4
131.08577	2.6
133.10121	1.9
135.11740	3.2
136.88708	1.2
137.09618	4.2
143.10716	2.7
145.06602	1.3
145.10123	4.8
147.11650	1.4
149.09673	1.7
151.07532	1.7
153.12770	1.9
155.10681	8.0
163.11192	5.8
169.41255	1.2
173.04488	2.5
173.09535	2.0
173.11761	38.8
189.11238	1.3
191.10828	2.5
193.12286	2.8
199.13301	14.3
209.11760	2.8
211.13356	1.1
218.67229	1.3
223.13383	1.8
227.12723	6.1
229.14381	89.1
241.14349	4.5
257.13873	3.1
262.57715	1.3
267.16016	6.0
283.15390	2.7
315.18106	6.7
353.23334	2.3
371.24399	6.6
383.24304	38.5
384.24738	1.5
437.25220	1.6
441.27975	1.3
452.01575	1.8
455.25970	1.4
469.28217	1.9
487.29001	2.3
573.32495	3.8
780.90643	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
56.27123	0.3
59.79702	0.3
60.52100	0.3
65.03929	0.7
67.05498	1.0
69.03416	0.6
70.01402	0.8
70.01782	0.9
70.06626	0.3
71.87537	0.3
79.05485	1.1
80.05032	0.6
81.03429	1.7
85.02911	0.6
89.03925	0.5
91.05489	1.2
92.04998	0.6
93.05774	1.1
93.07040	1.1
94.06583	5.3
95.04948	0.5
95.07358	1.3
96.08150	2.5
97.02896	0.5
103.05467	0.3
105.05795	0.4
106.06580	0.8
107.07373	1.0
108.04481	1.3
108.08124	7.5
109.02864	0.5
110.09710	3.1
116.04988	0.9
118.06528	1.0
120.04481	2.5
120.08102	6.7
121.06458	0.4
122.06024	4.9
122.09667	2.6
124.07621	1.5
127.03914	0.6
132.04460	0.5
134.06018	1.7
136.07582	8.3
138.05522	0.8
138.09128	5.2
144.04433	1.8
144.08165	0.5
146.06026	6.9
146.07121	0.6
148.04050	0.4
148.07579	3.8
150.05557	0.4
150.09146	2.1
152.07143	0.7
156.08141	0.4
158.06058	0.8
158.09692	0.7
160.03935	2.5
160.07579	0.5
162.05515	1.4
164.07114	0.5
166.08633	3.1
172.03935	5.6
172.07608	0.9
174.05505	2.6
176.07111	1.5
178.04994	0.4
182.09721	0.9
183.09222	0.8
184.09933	0.6
186.05600	1.2
186.09247	0.6
190.05014	6.8
190.06566	0.6
190.08604	0.4
195.09256	0.5
196.09999	1.0
197.10817	1.3
199.08771	0.5
199.12292	1.9
200.07182	0.6
204.06627	1.1
209.10832	1.2
210.09233	1.2
210.11459	0.5
211.08685	1.4
211.12340	1.3
212.09503	1.3
213.10374	0.6
214.08734	0.4
221.10748	0.9
223.08687	1.1
223.12378	1.0
224.09404	0.8
225.10252	5.9
226.11012	1.0
227.11804	10.3
227.13954	0.6
229.13467	0.7
233.10716	0.4
234.09236	0.4
235.08760	0.4
236.09557	1.5
237.10216	3.6
238.08821	0.5
238.11098	1.3
239.11781	2.3
240.12627	0.5
241.09673	0.5
241.13405	1.0
245.12898	0.9
246.07658	0.4
249.10330	1.4
250.10966	0.7
251.08194	0.9
251.11827	2.7
253.09782	3.4
253.13422	1.2
254.49963	0.4
255.11360	2.6
257.12894	0.8
261.10248	0.4
263.08212	1.9
263.11954	0.8
264.08960	1.1
265.09766	2.3
266.10526	0.6
267.11307	3.3
269.12894	4.2
271.10815	3.6
273.12460	1.3
277.09802	1.5
278.10522	0.5
279.11288	5.7
281.12927	1.0
283.10904	1.5
284.11630	0.5
285.12451	1.8
286.13229	0.4
291.11450	0.7
293.12930	0.5
295.10812	1.7
297.12317	3.0
298.13507	0.5
299.13950	1.2
300.11981	0.5
301.12531	0.6
302.13062	0.7
305.09256	0.5
307.10730	2.1
308.11121	0.4
309.12390	0.9
311.14355	0.6
313.12726	0.8
314.12964	1.3
315.13846	0.8
316.14557	1.1
317.15506	0.6
323.10211	1.0
325.11935	3.1
326.13104	0.9
327.13687	1.9
328.10907	1.4
328.14597	2.0
329.11612	1.5
329.15161	0.9
330.12402	0.9
330.16122	1.6
331.13263	0.6
331.16870	0.9
338.12952	0.6
339.13568	1.5
340.14563	1.1
341.11642	0.9
341.15610	0.6
342.12442	5.0
342.16144	1.3
343.13251	3.1
344.13834	1.9
344.17740	0.7
352.14493	0.8
353.15921	0.4
354.12338	0.7
354.16156	1.2
355.13062	1.7
356.13931	4.6
356.17776	0.5
357.14780	1.1
358.15469	4.3
358.19046	0.3
360.17096	0.6
365.11276	0.6
366.16321	1.0
367.12979	0.6
367.17303	0.5
368.13956	0.8
368.17883	0.5
369.14795	1.2
370.11511	0.6
370.15790	3.0
371.16589	0.7
372.17081	1.7
380.13919	1.0
382.11856	1.0
383.12836	1.1
384.13541	1.4
384.17743	0.4
385.14218	1.4
386.14746	2.2
387.15497	0.7
388.16724	0.6
394.15643	1.3
398.15024	9.7
399.15802	5.1
400.16928	2.1
402.14294	0.5
404.16211	1.4
411.15710	0.5
412.16653	1.5
413.17349	0.7
414.18430	1.9
416.15820	2.8
417.16901	1.2
418.17734	0.8
422.15128	0.6
428.16235	0.6
429.16269	0.5
430.17685	0.6
431.18225	0.7
440.16055	2.4
441.16568	0.6
442.17935	0.8
446.17139	0.6
458.16861	1.9
459.17813	0.6
460.18686	0.4
467.14786	0.6
472.19186	0.5
482.17447	0.7
488.18097	0.9
500.18353	1.1
512.18176	0.6
516.94891	0.4
526.20068	0.4
530.19989	0.4
532.20850	0.7
534.22485	1.1
542.19684	1.1
547.23853	0.5
548.20190	1.5
554.19250	1.1
556.21002	0.7
558.22815	0.7
560.20477	4.4
566.19391	1.2
572.20428	1.2
584.20410	1.5
590.21393	1.4
592.22809	0.5
593.24194	1.2
602.21368	4.5
611.24719	0.5
620.22968	0.6
653.26404	1.1
673.26605	0.7
683.30756	0.6
685.28656	0.5
691.27301	0.8
701.26031	0.5
709.28198	1.6
711.30286	3.8
713.28058	3.8
719.27313	2.0
727.29681	3.1
737.28333	4.2
755.29211	100.0
756.29541	4.7
787.31757	5.0
788.31628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.1
57.03431	3.5
61.02928	4.6
61.83125	1.1
65.03951	1.1
67.01878	1.6
69.03440	3.1
69.33272	8.6
70.06594	2.6
71.01349	2.1
71.04993	4.6
79.05502	1.4
81.03423	4.0
83.01398	1.4
83.04959	1.5
85.02917	19.8
91.05496	2.8
93.03413	3.6
95.01366	1.2
95.04955	1.7
97.02911	9.7
102.32826	1.2
103.03947	3.2
105.03424	2.1
105.07025	2.4
107.04962	4.4
109.02890	6.7
109.70831	1.2
111.04484	2.0
115.05470	3.1
117.07029	2.4
117.88799	1.0
119.04926	2.9
121.02890	11.4
121.06506	1.6
123.04449	3.3
127.03936	2.4
128.06227	2.0
129.05481	2.0
129.07037	2.8
131.04913	2.6
133.06509	4.2
135.04437	6.1
137.06003	2.1
139.03912	4.2
141.06992	2.4
145.06480	3.2
147.04422	7.9
149.02350	2.2
149.06001	3.8
151.03949	8.3
152.06186	1.1
153.01846	3.0
157.06555	2.9
159.04405	9.1
161.06004	10.1
163.03908	13.8
163.07550	1.2
165.01907	1.0
165.05527	3.9
167.03404	3.1
167.06998	1.3
169.06502	2.0
171.04437	8.1
173.02374	1.3
173.05994	8.1
175.03923	16.3
175.07550	3.6
177.01819	2.0
177.05507	23.5
179.07066	2.2
181.04979	30.2
181.06502	2.7
183.04414	1.1
185.05991	12.8
187.03920	19.4
187.07570	3.3
189.05470	18.7
191.03355	2.6
191.07072	4.6
193.04977	41.5
197.06004	4.3
199.03949	7.0
199.07570	3.2
200.04692	2.9
201.05473	26.4
203.03494	2.1
203.07033	11.0
205.04980	55.2
206.05672	1.4
207.06583	7.1
211.03905	3.7
211.06003	2.4
213.05475	19.8
213.74002	1.1
215.03549	1.7
215.07068	8.2
217.04977	41.0
217.08379	2.3
218.05748	4.3
219.03047	2.1
219.06526	25.7
221.04462	3.5
223.06015	41.0
223.08192	2.1
225.05479	11.2
227.03471	2.3
227.07080	5.4
229.04974	24.5
230.05545	2.0
231.03026	1.8
231.06534	31.7
232.07082	1.4
233.04451	5.0
233.08153	3.7
234.05002	1.3
235.06033	41.5
237.05524	2.1
239.07069	4.7
241.04945	11.1
242.05598	1.6
243.06538	16.4
245.04433	5.2
245.08145	7.8
247.06047	100.0
248.06438	1.4
249.07610	6.4
250.06314	1.8
253.04997	8.6
253.07188	2.8
255.06586	13.6
257.04483	2.6
257.08139	5.5
259.06033	82.5
261.07666	5.5
265.04785	2.0
265.07205	10.2
267.06525	4.1
269.08087	3.2
271.05984	30.6
273.04562	1.6
273.07568	24.2
275.05441	3.4
277.07104	73.8
279.06540	5.2
283.05771	12.6
283.08621	2.4
285.07626	10.9
287.05618	3.2
287.09171	1.3
289.07086	44.3
290.07394	1.5
295.05359	2.4
295.08447	16.2
297.07581	11.9
301.07089	68.0
302.04218	5.9
302.07431	2.1
307.08215	31.9
308.08923	1.5
309.07541	2.7
313.06714	35.1
315.08710	3.7
317.02878	2.2
317.06583	46.5
319.08182	24.4
325.06699	14.7
325.09308	26.1
327.08496	1.7
331.08145	22.7
337.09357	29.3
343.07932	18.7
343.10300	25.4
349.09280	9.9
355.07510	6.6
361.09219	43.6
367.07874	1.3
373.09192	17.4
379.10278	54.7
385.09204	9.9
391.10309	17.2
397.11343	25.7
403.10349	8.5
415.12399	11.8
421.11383	12.8
433.08966	2.2
439.12311	11.7
457.13611	15.2
741.66974	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
55.05313	0.8
55.05521	8.2
57.03436	4.6
57.07064	1.1
61.02929	17.9
65.03948	1.0
67.05505	19.4
69.03423	4.9
69.07073	8.0
70.06581	1.4
71.01338	1.0
71.04977	2.0
71.38769	0.9
71.52441	1.3
72.08149	1.4
73.02925	6.2
79.05496	17.1
81.03416	3.5
81.07065	21.8
83.04980	2.7
83.08620	5.7
84.08112	1.0
85.02909	21.0
85.06548	1.6
86.09712	1.5
91.03952	11.4
91.05486	23.7
93.07050	16.3
95.04972	4.9
95.08610	14.7
97.02893	12.1
97.06509	4.7
97.10174	2.0
99.04451	1.2
99.08109	1.4
103.05441	1.4
105.07039	19.7
107.04946	2.9
107.08604	8.8
109.02891	1.4
109.06517	3.4
109.10148	4.3
110.43034	0.8
111.04458	0.9
111.08083	2.6
115.03925	1.1
115.05486	1.9
117.07025	14.3
119.04971	0.9
119.08586	12.2
121.06487	4.3
121.10179	5.8
122.17826	0.7
123.08078	2.4
125.09628	1.8
127.03934	3.8
128.06226	3.6
129.07010	17.8
131.04944	1.7
131.08580	22.3
133.06509	4.0
133.10135	6.9
135.08044	2.6
135.11694	2.2
136.07619	1.0
137.05998	2.1
137.09546	1.2
139.03978	1.3
139.11163	0.9
141.06979	8.1
142.07791	2.1
143.08562	16.6
145.05000	4.0
145.06467	4.7
145.10127	9.3
147.08055	3.6
147.11699	2.4
149.09650	4.2
153.07021	1.3
154.07715	0.9
155.08563	13.4
157.06482	2.8
157.10136	9.9
159.08076	3.7
159.11700	5.4
161.06064	1.0
161.09583	1.9
161.13237	0.9
163.06042	2.6
163.11230	1.4
165.07001	1.5
165.12856	1.3
167.07224	1.4
167.08568	6.9
169.10127	7.3
169.67667	0.8
171.08023	1.5
171.11736	4.9
173.09676	1.7
173.13300	1.6
175.11205	1.5
177.12711	1.7
178.07710	0.8
179.08572	2.7
181.10182	6.1
182.10895	1.2
183.11714	5.1
185.05859	0.9
185.09616	2.3
185.13226	4.1
187.11200	1.8
187.14819	1.2
191.08604	1.0
193.10080	2.8
193.12160	0.9
195.11734	6.9
197.09630	1.1
197.13304	4.5
199.11099	2.0
199.14809	2.2
201.09128	2.7
201.12813	1.5
203.14330	1.7
207.11710	3.2
209.13261	3.7
211.11221	1.5
211.14871	4.0
213.12772	2.9
215.10889	1.0
215.14394	1.5
219.11839	1.3
221.13376	4.0
223.14821	3.7
225.12761	1.5
225.16553	1.2
227.14404	1.5
229.16011	1.1
233.13379	1.3
235.14923	2.6
239.14282	3.3
244.54085	1.0
245.15395	1.4
251.14375	1.3
253.15834	2.2
257.15344	2.0
259.17059	2.2
267.17331	1.4
271.16959	2.6
275.16464	1.1
285.18439	1.0
305.22705	1.6
309.18597	1.0
315.21198	1.1
323.23816	2.4
333.22092	7.0
341.24643	4.9
351.23209	23.7
369.24261	17.9
387.25391	11.2
389.24750	1.6
405.26651	1.0
407.25443	1.0
415.28427	1.4
425.26828	7.1
433.29562	1.4
443.27948	100.0
444.28091	1.6
461.29007	67.1
462.29135	2.3
485.29166	1.2
503.29642	1.4
527.29706	1.0
551.29651	1.4
569.31012	1.6
587.32324	2.2
605.32916	2.7
623.34277	3.5
642.14508	1.0
724.37061	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.4
55.05508	1.5
65.03929	2.7
67.05526	3.0
69.03413	1.8
69.07077	26.8
70.02699	4.9
71.58441	1.2
79.05498	3.4
81.03424	8.1
81.07041	2.9
83.04987	2.9
91.05473	6.6
94.04181	2.5
95.04980	2.8
95.08607	1.7
97.02897	1.4
98.20748	1.8
103.05450	2.5
105.03425	1.4
105.07021	2.8
107.04962	5.9
108.05734	2.3
111.04456	1.6
115.05476	7.7
116.06258	1.7
117.07019	5.4
118.67450	1.1
119.04925	1.7
119.08579	1.4
121.02868	2.7
121.06511	3.0
122.03628	2.4
123.04435	4.9
123.22184	1.1
125.06039	1.3
128.06238	6.8
128.47972	1.2
129.07002	11.2
131.04942	9.0
131.08586	4.0
133.06534	2.1
135.04413	7.0
136.05185	3.2
136.08748	1.2
137.02408	1.7
137.05984	63.0
141.06990	2.0
142.07794	2.1
143.04942	4.4
143.05994	1.3
143.08551	3.7
144.05693	4.8
145.06483	27.6
145.10124	2.0
145.17336	1.2
146.07288	6.0
147.04419	2.9
147.08032	1.7
149.02394	1.4
149.06009	1.8
151.03914	5.4
151.07549	49.8
153.06976	2.0
155.04875	1.4
156.05666	2.4
157.06506	18.6
158.07271	10.3
159.04436	2.1
159.08040	10.6
160.05211	6.8
160.08881	2.7
161.05978	8.4
162.06834	2.6
163.03986	2.1
163.07535	4.0
165.05481	4.2
165.06808	2.5
169.06502	2.0
171.04388	2.0
171.08046	5.2
172.08844	25.7
173.05983	15.7
173.09521	2.2
174.06764	8.5
175.07570	14.9
175.11246	1.4
176.08295	4.6
177.09138	9.8
179.07053	18.8
179.08560	2.7
181.06456	2.7
182.07317	1.7
183.08121	3.6
184.08759	1.7
185.06017	3.4
186.06737	1.6
187.07556	15.5
187.15491	1.4
188.08322	30.9
189.05469	3.4
189.09117	100.0
191.08600	1.5
191.10626	4.2
193.06462	1.7
195.08083	3.1
196.08905	2.7
197.05957	1.6
198.06728	1.6
199.07576	5.2
200.08337	6.6
201.05450	5.7
201.09114	43.6
202.08044	1.7
202.09895	9.7
203.07007	3.8
203.10672	68.7
204.07877	2.0
205.06746	2.0
205.08612	5.7
205.12299	2.2
207.08018	4.2
207.09958	1.5
208.08809	2.6
209.06041	1.6
209.09590	3.5
211.07616	3.4
212.08319	2.1
213.05411	1.7
213.09100	7.5
214.09798	2.1
214.81958	1.3
215.07011	2.4
215.10692	9.5
216.07790	4.2
217.06737	1.7
217.08598	4.6
218.07274	1.6
219.08102	7.3
219.10204	4.5
220.08771	2.5
221.09703	2.0
223.07483	2.7
224.08284	3.4
225.09090	3.5
226.06364	1.7
226.09875	3.0
227.07104	2.8
227.10632	2.5
229.04988	7.5
229.08673	2.0
231.10159	69.1
232.08806	2.5
233.06050	2.4
233.08072	3.1
234.10216	1.7
235.07494	3.1
235.09616	1.7
236.08275	3.7
237.09102	2.5
238.09839	2.7
239.10736	4.9
240.07655	1.7
241.08595	3.4
241.12206	2.2
243.10257	2.3
247.07544	4.4
248.08362	4.6
249.09076	3.9
249.11261	14.1
250.09859	2.5
251.06996	1.4
251.10713	2.2
253.04848	1.6
253.08548	1.4
255.06642	1.7
255.10072	3.5
261.05417	1.7
261.09076	4.9
262.09830	1.7
263.07059	4.8
263.10577	8.9
264.07901	3.2
265.08649	4.1
265.12100	1.5
266.09402	1.8
267.06573	2.8
267.10132	3.8
269.11774	1.4
277.08627	5.8
278.09363	2.9
279.10135	8.5
280.10944	3.0
281.08301	1.5
281.11758	4.3
289.08597	3.6
290.09381	1.6
291.10086	20.6
292.10962	4.1
293.08212	2.7
293.11713	4.5
294.09033	1.7
295.09766	3.2
297.07645	2.1
297.11081	2.1
299.16370	1.9
307.09598	9.6
308.10397	2.8
309.11264	6.1
319.09607	3.7
320.10446	2.6
321.11154	2.8
323.09158	3.9
337.10852	6.5
377.10718	1.4
401.13882	1.8
423.10767	5.3
431.14960	1.7
433.12683	1.6
447.14352	3.7
451.14148	1.4
459.14047	1.8
467.14377	1.6
475.13995	1.4
479.15118	1.5
497.15674	3.4
603.19800	3.1
605.21558	3.5
615.20032	2.2
617.21576	1.6
621.21039	2.6
623.43115	1.8
633.20715	5.4
634.21863	1.7
635.22565	4.3
645.20697	2.6
651.22034	4.2
663.22156	6.5
673.27472	4.4
680.22882	2.4
681.23053	4.0
698.23682	2.3
699.23785	2.0
703.28955	2.6
731.28064	3.1
749.29309	12.5
767.30701	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	785.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78476	0.8
55.01872	5.1
55.05489	0.6
65.03938	2.3
67.05505	1.4
69.03429	0.8
69.07075	10.5
70.57972	1.7
72.69644	0.7
78.04709	0.9
79.01898	0.9
79.05518	1.7
80.06314	0.7
81.03431	9.8
81.07075	1.1
83.04974	2.3
91.05494	6.3
91.06921	0.8
91.36095	0.7
93.03386	1.2
94.04214	1.2
95.04977	2.5
97.02882	1.3
103.05511	3.4
105.03403	1.5
105.07032	1.9
106.04185	0.7
107.04958	6.4
108.05746	2.3
109.02935	1.0
109.06520	1.5
111.04457	1.2
115.05455	6.8
116.06245	0.9
117.07018	5.3
118.04197	0.9
119.04977	2.0
121.02857	2.0
121.06523	1.7
122.03669	4.5
123.04434	3.3
125.06016	0.9
127.05475	1.0
128.06230	7.4
129.07021	11.9
130.07848	1.3
131.04939	8.1
131.08559	2.3
132.05701	1.7
133.02850	1.7
133.06494	2.2
135.04420	6.7
136.05212	4.3
137.05992	59.1
138.06512	0.7
141.07024	3.5
142.07761	1.4
143.04924	3.1
143.08582	2.5
144.05707	3.2
145.06506	25.3
146.03581	1.0
146.07310	4.4
147.04395	2.2
147.08060	2.2
149.02368	1.5
149.06004	1.4
150.06743	0.8
151.03973	5.2
151.07559	93.9
153.05466	1.0
153.06998	1.2
155.04939	1.5
155.06094	1.6
155.08533	1.3
156.05702	1.6
157.06514	14.6
158.07289	10.0
159.04410	3.1
159.08072	12.7
160.05197	6.1
160.08871	3.6
161.05992	7.2
162.06766	1.8
163.03893	1.8
163.07565	4.8
165.05495	5.6
165.06923	1.9
165.09082	1.2
167.08621	1.6
168.05847	0.9
169.06506	2.8
170.07256	1.2
171.04475	1.0
171.08131	5.9
172.05341	0.8
172.08861	26.0
173.06003	12.9
173.09584	1.8
174.06773	9.7
175.03951	0.8
175.07573	19.6
175.19398	0.7
176.08308	6.1
177.06976	1.0
177.07530	1.1
177.09099	10.1
178.07809	1.1
179.07094	10.8
179.08536	1.7
181.06503	2.7
182.07301	3.7
183.08093	2.7
184.05276	1.1
184.08763	1.0
185.06009	3.8
185.09666	1.1
186.06789	1.4
187.07542	16.2
188.07033	0.5
188.08337	26.2
189.09126	100.0
190.07858	1.1
190.09500	1.6
191.07021	2.1
191.08694	1.5
191.10649	5.6
195.08083	3.6
196.08873	2.4
197.05983	1.9
197.09581	1.0
198.06830	1.5
198.10416	0.8
199.07544	2.5
200.08333	5.7
201.05501	4.0
201.09134	39.0
202.07950	1.6
202.09901	8.4
203.07001	3.0
203.10680	59.8
204.07802	1.2
205.06691	1.6
205.08597	5.9
205.12210	2.1
207.08096	3.0
208.08812	1.6
209.05933	1.4
209.09636	1.5
210.10399	1.0
211.07564	3.5
212.04660	0.7
212.08440	1.7
213.05536	2.0
213.09113	10.7
214.09959	2.6
215.07080	2.2
215.10742	5.7
216.07817	3.8
217.06680	1.5
217.08461	4.9
217.12212	0.8
218.07373	1.0
218.09331	1.4
219.08093	5.3
219.10193	10.0
220.08942	1.4
221.06041	1.5
221.09692	1.7
221.11708	1.7
223.07562	1.7
224.08354	2.2
225.05513	1.0
225.09103	3.1
226.09883	1.8
227.07089	1.6
227.10649	4.2
228.11429	0.9
229.04971	8.2
229.08588	2.3
229.12238	1.9
231.08257	2.4
231.10182	62.4
232.08760	1.5
232.10771	1.2
233.06017	1.3
233.08105	2.6
234.06786	1.8
234.10437	1.5
235.07547	3.3
236.08347	1.2
237.09146	2.4
238.09920	2.3
239.07056	1.5
239.10646	4.8
240.07817	1.8
241.05005	1.5
241.08652	1.3
241.12262	2.1
242.09508	1.3
243.10231	1.8
243.13850	2.4
246.06749	1.3
247.07704	4.2
247.09785	2.3
248.08376	4.4
249.05615	0.8
249.09082	3.4
249.11275	26.2
250.06343	1.3
250.09915	1.8
251.07051	1.7
251.10667	2.3
252.07675	1.2
253.08734	1.8
253.12292	1.3
254.09416	1.1
255.10178	2.5
257.11804	1.9
260.08292	1.2
261.09067	2.0
262.09900	2.1
263.07153	3.0
263.10699	7.0
264.07892	1.8
264.11484	1.1
265.04990	1.0
265.08636	3.8
265.12021	1.6
267.06494	4.0
267.10193	2.5
267.13574	0.8
269.11853	0.9
271.17056	1.0
275.07233	1.0
275.10648	1.2
276.07898	1.4
277.08585	4.6
278.09470	2.9
279.06543	2.8
279.10202	5.9
280.10922	2.4
281.08212	1.0
281.11734	3.0
281.15158	1.2
283.06003	0.9
283.09729	0.8
289.08578	2.7
290.09384	2.0
291.06757	1.6
291.10172	16.5
292.07663	1.1
292.10941	4.4
293.08121	2.0
293.11777	2.6
294.08990	0.8
295.09644	3.1
297.07919	1.6
297.11304	1.8
299.16589	1.0
303.10184	1.5
305.07928	2.0
306.08957	1.5
307.09613	9.4
308.10394	3.4
309.11154	4.6
311.09354	1.3
319.09665	5.8
320.10486	3.1
321.07825	1.0
321.11224	3.6
323.09174	2.9
325.10791	2.4
337.10843	5.2
338.11472	1.2
339.12213	2.0
355.11935	1.7
377.10120	0.9
403.11926	1.3
411.12427	1.0
423.10751	4.8
429.13297	0.9
433.12802	1.5
441.13245	1.7
445.13043	1.0
447.14478	1.9
449.13275	1.1
451.14200	2.5
459.14157	1.2
461.13010	0.8
463.14175	1.6
467.14151	1.0
479.14575	2.2
497.15848	3.0
505.15112	0.9
509.16122	1.2
527.17285	1.3
543.16364	1.3
573.20099	1.2
579.18781	0.9
587.21051	0.9
603.20007	1.8
605.21252	2.3
615.19635	2.0
617.21527	1.2
621.20972	2.4
632.20648	0.9
633.21118	5.4
634.21979	1.2
635.22284	2.5
645.21082	2.9
651.22528	3.8
663.22308	6.3
673.28259	2.1
680.22009	1.7
681.23187	5.6
698.23511	1.1
699.24011	3.2
701.27789	1.4
703.28967	2.3
731.28784	1.9
749.29388	9.5
767.30914	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	785.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.0
56.34143	0.5
65.03953	1.2
67.05507	0.8
68.99801	0.7
69.03401	0.5
69.07067	4.5
70.42263	1.0
70.42605	1.1
77.03925	0.8
78.04604	0.6
79.05504	1.3
81.03426	9.8
83.04990	2.7
84.75117	0.6
91.05481	4.2
92.57114	0.5
93.03415	1.0
94.04188	1.5
95.04973	1.4
102.53658	0.5
103.05464	1.7
105.03391	0.6
105.07052	1.1
107.04964	5.6
108.05731	1.7
109.06523	1.4
110.03693	0.7
111.04467	1.7
115.05465	3.7
116.06257	1.4
117.07017	3.2
118.04114	0.9
119.04981	1.3
121.02888	0.9
121.06525	2.2
122.03652	2.0
123.04441	1.9
127.05415	0.7
128.06198	5.1
129.07021	7.4
131.04933	5.2
131.08563	1.5
132.05714	0.8
133.06503	1.6
135.04427	4.0
136.05211	3.1
137.02405	1.3
137.05995	31.6
138.06757	1.1
141.06944	2.2
142.07788	0.9
143.04892	1.4
143.08580	1.5
144.05702	3.1
145.06505	16.2
146.07315	3.1
147.04401	1.2
147.08020	1.1
149.02380	1.1
149.05983	1.2
151.03992	4.0
151.07555	100.0
153.05531	0.8
153.07045	0.7
155.04881	1.0
155.06024	0.7
155.08578	0.8
155.68651	0.6
156.05705	0.8
157.06508	9.5
158.07268	6.9
159.04425	1.7
159.08061	12.4
160.05205	2.9
160.08852	2.9
161.06001	4.6
161.09610	1.0
162.06746	1.1
163.07530	1.9
165.05611	2.9
165.06842	1.0
165.09087	0.6
168.05658	0.7
169.06474	1.4
170.07213	0.7
171.04420	1.1
171.08087	3.3
172.05148	0.8
172.08856	17.0
173.05995	7.0
173.09578	1.0
174.06752	6.9
175.04074	1.0
175.07561	12.3
176.08377	4.5
177.09126	8.8
179.07018	2.0
179.08574	1.0
181.06511	1.4
182.07327	2.8
183.08028	1.7
184.08893	0.6
185.06020	1.8
185.09599	0.9
186.06738	1.6
187.03903	0.9
187.07561	10.1
188.08350	19.1
188.10037	1.0
189.09123	82.9
190.09489	1.6
191.07112	1.2
191.08768	1.2
191.10634	5.4
194.07321	0.6
195.08067	2.0
196.08891	1.3
197.05893	1.2
197.09575	1.2
198.06697	0.8
199.07625	2.6
200.08348	4.2
201.05438	1.6
201.09120	27.8
202.09917	8.5
203.07359	1.0
203.10689	38.1
204.07814	0.6
205.06696	0.9
205.08546	3.1
205.12294	2.1
207.08014	1.9
207.09904	0.6
208.08803	1.2
209.09561	1.1
210.10355	0.7
211.07530	1.9
212.08305	2.0
213.05721	1.2
213.09134	9.3
214.09862	2.6
215.10628	3.8
216.07803	2.0
217.08597	2.9
217.12161	1.0
218.07349	0.9
218.09319	0.7
219.08101	2.0
219.10139	15.5
219.13704	1.1
220.57925	0.5
221.06018	0.7
221.09703	0.6
221.11742	1.7
223.07588	0.9
224.08316	1.4
225.05602	0.7
225.09123	2.5
226.09856	0.7
227.07025	1.0
227.10683	2.3
229.05019	6.0
229.08534	0.9
229.12183	1.5
231.08360	1.5
231.10178	41.6
233.09599	0.7
234.06631	0.6
234.10493	0.8
235.07571	1.3
238.09767	0.8
239.07063	1.2
239.10683	2.0
240.07805	0.7
241.05038	0.9
241.12225	1.7
243.10252	1.9
243.13733	2.5
245.04401	0.7
247.07475	1.6
247.09769	1.5
248.08356	1.3
249.11241	32.6
250.09822	0.8
251.07013	0.8
251.10670	1.4
253.08551	0.6
253.12238	1.1
255.06915	0.7
255.10098	1.3
257.04382	1.4
257.11841	2.7
257.15372	1.8
261.09058	1.0
261.11435	0.7
262.09906	0.9
263.06946	1.3
263.10785	1.1
265.08582	1.2
265.12112	0.9
267.06558	3.4
267.10162	1.7
269.08087	0.6
269.11832	0.9
271.16922	2.1
276.08002	0.7
277.08569	1.7
278.09384	1.3
279.06577	1.6
279.10196	2.1
280.10776	0.6
281.08270	0.7
281.12094	0.9
281.15359	2.2
289.08633	0.9
291.10126	1.8
292.10843	1.2
293.08084	0.9
293.11722	2.3
295.06094	0.7
295.09680	1.5
297.07587	1.6
299.16290	2.9
306.08771	0.7
307.09647	2.4
309.07706	1.1
309.11212	1.6
319.09344	1.3
320.10522	0.9
321.11133	1.1
323.09363	0.9
337.10638	1.9
379.42822	0.6
403.11917	0.7
415.11588	0.7
421.13153	0.9
423.10687	1.5
433.12549	0.7
449.12741	0.9
451.13971	1.3
459.14279	1.3
461.11945	0.6
463.13858	1.3
467.14996	0.9
475.13626	1.1
477.15314	0.7
479.14871	0.7
497.16064	1.4
509.15396	0.9
515.17078	0.6
527.16644	1.7
573.21545	0.8
629.23175	0.6
633.20581	2.5
635.22650	1.2
645.20972	1.8
651.22229	0.8
663.22253	3.2
680.22369	1.0
681.23511	3.9
699.23865	2.1
711.49603	0.6
731.27997	1.8
749.29999	4.5
767.30811	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	785.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.6
55.05497	4.6
57.03426	2.0
65.03948	3.9
67.05504	10.2
69.03417	3.8
69.06735	1.7
69.07076	20.1
69.76707	3.6
69.77120	4.8
71.36665	1.6
79.05498	9.7
81.03427	15.6
81.07053	5.5
83.04987	4.2
85.02888	2.2
91.05490	14.2
92.56348	1.4
93.03411	1.7
93.07034	5.3
94.04171	3.0
95.04958	2.6
95.08601	3.5
97.02892	2.8
103.05482	5.4
105.07044	8.2
107.04959	14.0
107.08588	3.4
108.05756	2.5
109.01174	1.7
109.06513	2.9
109.10168	3.5
111.04477	1.8
111.08037	1.8
115.05457	9.2
115.25392	1.5
116.06237	2.4
117.07038	9.4
119.08595	3.4
121.02897	3.6
121.06519	4.6
121.10126	2.0
122.03645	4.6
123.04447	5.3
128.06218	8.3
129.07025	13.5
131.04953	9.5
131.08585	5.3
132.05734	1.9
133.06459	3.7
133.10141	3.4
135.04442	7.8
136.05194	6.3
137.02347	2.4
137.05992	59.6
139.03914	2.8
141.06979	4.6
143.04918	3.9
143.08562	5.0
144.05707	5.5
145.06494	29.9
145.10085	2.7
146.07254	6.7
147.04414	3.6
147.08081	3.6
147.11739	2.1
149.05978	2.8
151.03978	11.7
151.07559	68.2
152.06169	1.6
153.05460	2.6
153.07014	1.9
155.06131	2.1
155.08566	2.2
156.05733	2.6
157.06487	19.4
157.10107	1.8
158.07274	12.9
159.04410	4.5
159.08081	15.3
160.05215	7.2
160.08881	5.4
161.05954	8.4
161.09682	1.8
162.06732	3.1
163.03880	2.4
163.07594	5.7
165.05490	8.6
165.06911	3.6
169.06476	4.4
169.10184	1.6
171.08070	6.7
172.08850	28.2
173.06006	17.4
173.09587	3.7
174.06792	11.8
175.03897	1.8
175.07590	17.9
176.08279	4.4
177.09111	12.4
179.07063	20.8
181.06567	3.8
182.07312	3.6
183.08029	2.4
185.05972	3.2
186.06743	5.3
187.03938	1.7
187.07565	16.6
187.11179	3.3
188.08356	33.9
189.05531	6.1
189.09125	100.0
190.09534	2.5
191.07130	2.4
191.10683	7.1
195.08069	4.5
196.08875	2.5
197.88597	1.7
198.06761	2.0
199.07536	4.2
200.08321	8.8
201.05522	4.5
201.09138	49.1
202.09909	10.7
203.07002	5.9
203.08875	2.7
203.10675	73.1
205.06665	2.3
205.08618	5.3
205.12123	8.3
207.08090	3.4
208.08908	3.8
209.06079	2.0
209.09679	1.8
210.10391	1.7
211.07538	6.2
213.05446	3.1
213.09109	8.0
215.10684	6.3
216.07875	3.6
217.08562	8.4
218.07204	2.0
219.08073	6.3
219.10150	7.2
219.13821	1.7
220.08890	3.0
221.06046	2.5
222.10527	2.3
223.07565	5.0
223.69704	1.6
224.08319	3.7
225.09143	3.2
226.09952	3.1
227.10716	4.7
229.04967	9.3
229.08659	3.3
229.12198	3.9
231.08195	3.4
231.10165	74.3
232.08757	2.8
233.08060	4.6
234.06860	2.2
234.10512	2.3
235.07524	6.3
235.09584	2.2
237.05507	2.7
237.09175	2.6
238.09991	3.3
239.10683	7.0
241.04883	2.2
241.08641	4.3
241.12167	3.4
243.10176	2.3
246.06778	1.8
247.07640	7.3
248.08340	7.3
249.09099	5.1
249.11282	16.6
250.09888	3.2
251.06914	3.1
251.10683	4.8
253.08673	2.3
253.12262	1.8
255.06548	2.4
255.10228	2.9
257.11752	3.3
257.19019	1.9
261.09146	2.8
262.09946	3.7
263.06970	4.4
263.10632	9.0
264.07803	2.5
265.08661	5.2
266.09302	2.6
267.06573	2.8
267.10168	4.0
267.13602	2.3
269.11807	1.7
275.10599	2.0
275.20135	4.7
276.07605	2.1
277.08673	5.5
278.09341	3.2
279.06927	2.5
279.09961	7.9
280.10974	2.5
281.11703	5.7
283.05939	1.7
289.08719	3.0
290.09622	2.8
291.10156	26.3
292.07440	1.7
292.10938	5.5
293.08093	5.2
293.11728	4.7
294.08737	2.0
295.09677	3.3
297.07813	2.1
297.11136	3.6
299.16470	2.2
305.08182	2.0
307.09622	12.1
308.10504	3.4
309.11179	6.4
319.09668	6.9
320.10480	3.1
321.11292	3.5
323.09296	3.7
325.10757	3.1
335.09250	1.8
337.10849	7.4
339.12378	2.1
347.08813	2.1
355.11844	1.6
413.13843	1.8
423.10532	4.2
429.13525	2.3
433.12326	1.9
441.13309	2.0
445.12424	2.0
447.14185	4.1
449.59662	1.8
451.14615	2.8
459.14099	2.0
478.99469	1.7
487.14005	1.8
491.16754	2.0
497.15723	4.4
509.15948	2.0
545.19171	1.9
579.18719	2.5
633.20984	4.3
635.22119	3.7
645.20660	4.1
647.24615	2.0
651.21722	2.5
663.21942	6.3
673.27606	5.9
681.22540	5.7
698.23981	1.9
701.26672	2.8
703.28595	5.2
731.28290	5.7
749.29419	16.5
767.30408	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	785.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.1
55.05504	1.5
65.03932	1.5
66.04709	1.2
67.05495	2.4
68.99799	1.5
69.03423	1.4
69.07079	0.6
69.66881	2.5
77.03940	0.7
79.05491	4.4
81.03423	38.2
81.07062	2.2
83.04996	3.9
85.02918	1.5
91.05479	4.5
93.07051	1.6
94.04183	1.9
94.33649	0.5
95.04447	0.5
95.04969	3.4
95.08615	0.6
97.02917	2.7
103.05462	1.7
105.03400	0.7
105.07037	4.6
107.04955	5.8
108.05740	1.1
109.02886	5.3
109.06526	2.8
110.03662	0.7
111.00782	0.6
111.04447	2.2
115.05467	3.2
116.06296	0.6
117.06996	1.3
118.04156	0.7
119.04961	0.9
119.08581	0.8
121.02869	1.4
121.06507	2.9
122.03632	3.1
123.04437	1.9
125.02374	4.5
128.06195	2.1
129.07008	1.7
131.04909	3.3
131.08606	0.8
132.05698	1.2
133.06514	3.4
135.04446	2.6
136.05208	3.1
137.02359	2.5
137.05989	19.8
138.03122	1.2
139.03896	1.5
139.05432	0.5
139.07510	1.5
141.07014	1.3
143.04936	0.9
143.08569	1.1
144.05733	1.0
145.06508	4.8
146.03625	0.7
146.07266	2.7
147.04404	0.8
147.08064	1.1
149.02397	1.0
149.06000	1.8
151.04053	3.4
151.07552	100.0
153.07048	0.6
155.03403	4.6
155.04707	1.0
155.07022	1.5
157.06500	2.0
158.07306	2.8
159.04430	1.4
159.08040	3.7
160.05264	0.9
160.08876	3.0
161.05992	20.9
161.09610	1.1
161.41635	0.6
162.06767	0.6
163.03908	1.5
163.07553	1.0
165.01839	2.3
165.05481	51.8
167.03438	2.5
167.07272	0.6
167.08612	0.7
169.06480	1.2
171.08055	2.2
172.05298	0.5
172.08865	3.2
173.05997	3.5
174.06725	4.4
175.03925	4.6
175.07524	4.1
176.08334	1.9
176.92821	0.5
177.05475	1.5
177.09128	4.9
178.07832	0.6
179.06984	0.9
180.04245	0.7
181.06453	1.2
182.07286	1.0
183.08034	1.5
184.05148	1.2
185.05960	0.7
186.06743	1.9
187.07616	3.3
188.08322	6.0
189.05464	2.5
189.09119	27.5
190.06250	1.1
190.07855	0.6
191.03397	2.8
191.08833	1.1
191.10690	5.3
192.09328	0.7
193.04942	0.7
193.08553	1.2
194.07265	1.3
195.08109	1.6
196.08827	3.3
197.06036	0.8
197.09700	0.8
199.07513	5.4
200.08286	1.0
201.05470	0.9
201.09111	7.5
202.07802	2.5
202.09897	3.1
203.06993	1.9
203.08603	5.0
203.10696	6.9
204.07794	2.3
205.04872	1.0
205.06670	1.2
205.08498	3.1
207.08119	0.8
208.08800	0.7
209.09636	1.0
211.07602	1.8
212.08340	1.3
213.09097	3.8
215.06931	1.1
215.10693	1.6
216.07886	0.8
217.05000	1.5
217.08560	7.0
218.03806	0.7
218.05746	2.0
218.07500	1.0
218.09322	5.5
219.06497	6.5
219.08293	1.1
219.10136	19.2
220.08864	1.5
221.05974	1.4
221.09685	0.7
222.06657	1.0
223.07549	1.7
224.08276	1.2
225.09125	0.8
226.09946	1.3
227.10594	3.5
229.04915	0.8
229.08614	5.7
230.07266	0.7
230.09412	0.9
231.08040	8.9
231.10207	11.4
232.08818	2.1
233.06065	0.8
233.07944	1.0
234.10507	0.7
235.07600	1.5
235.11192	1.0
237.05493	1.3
237.09143	1.5
238.10011	1.0
239.07103	0.9
239.10664	1.7
241.12196	1.0
243.10194	1.4
247.07503	2.0
247.09708	7.6
248.08345	4.5
248.10367	1.3
249.09042	1.2
249.11275	8.1
251.07103	1.8
251.10696	1.4
252.07886	1.9
253.08635	1.2
254.09489	0.9
255.10153	1.7
257.11786	0.8
258.06638	0.9
259.07550	7.6
259.09995	0.8
260.08279	6.5
261.05389	0.7
261.09152	1.2
262.09921	1.3
263.07501	0.9
263.10657	6.1
264.07883	1.0
265.08789	1.7
265.12103	0.7
266.09372	0.7
267.10162	1.6
269.08215	0.8
269.11838	1.5
270.12570	0.8
271.09738	0.6
275.07092	1.7
276.07852	4.5
277.08643	1.7
278.09442	0.8
279.10184	1.6
280.11023	0.9
281.11746	1.7
282.08887	1.0
283.09677	2.0
284.10425	1.1
285.11261	1.3
289.08566	2.2
290.09421	0.9
291.10162	31.8
292.10794	2.4
293.08203	1.6
293.11743	4.6
295.09747	1.6
295.13364	2.0
296.10367	0.7
297.11163	3.0
299.12531	0.7
306.09024	0.7
307.09726	3.1
307.13000	0.8
308.10410	0.7
309.11221	3.7
311.12814	0.7
319.09738	0.8
321.07800	1.0
321.11340	2.5
322.11874	1.4
323.09528	1.1
323.12787	26.0
324.13467	1.4
325.10666	2.6
325.14389	6.0
327.12399	0.7
335.12732	0.6
337.10779	1.6
339.12332	1.8
341.09955	1.0
343.11758	0.9
344.83255	0.6
351.08527	0.9
352.09180	0.7
353.10321	2.6
355.11746	3.4
357.13388	3.6
366.11008	0.9
367.11923	2.2
371.11212	2.0
372.12051	4.7
373.12817	6.0
383.11230	8.2
385.12869	8.3
393.13208	0.7
395.14432	0.6
401.12317	12.7
402.13098	22.2
403.14044	0.6
457.16403	0.6
461.29068	1.3
477.15897	0.6
545.96332	0.6
569.21704	0.9
737.26233	0.8
755.26691	1.6
785.27954	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	783.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.3
65.03958	1.1
67.05489	2.4
69.07073	9.2
71.52526	1.3
77.03930	1.1
79.05466	1.5
81.03429	6.0
83.04972	1.5
91.05467	4.8
93.07059	1.2
95.04951	1.4
100.30943	0.9
103.05457	4.2
105.06986	1.8
107.04956	2.3
111.04456	1.0
115.05476	8.2
117.07025	5.4
119.04917	1.5
121.06507	1.4
122.03664	1.7
123.04435	100.0
128.06198	2.0
129.07013	11.1
131.04939	9.7
131.08582	0.9
132.05745	0.9
133.06477	1.6
135.03407	1.6
135.04422	26.8
136.05194	1.9
137.02325	2.2
137.05991	35.5
141.06972	2.0
143.04924	9.5
145.06493	10.8
145.10114	1.4
147.04362	2.2
149.05972	10.8
151.03906	2.8
151.07552	24.0
153.05437	1.6
155.06126	1.2
157.06490	7.7
158.07262	2.1
159.08080	1.4
160.05174	1.8
161.05988	28.7
163.03920	1.3
163.07550	9.3
165.05502	2.1
165.09023	1.5
169.06458	1.2
169.10054	1.3
173.05995	31.7
173.09610	2.8
174.06776	6.3
175.07570	20.9
177.09131	5.9
181.06435	1.8
185.06015	10.8
186.06685	1.8
187.07553	11.3
187.11191	1.3
188.08243	2.9
189.09123	16.3
191.07050	18.9
191.08774	1.2
191.10678	5.7
195.08020	1.1
197.09560	2.1
199.07520	2.2
201.07260	1.6
201.09109	13.4
203.07014	10.0
203.08733	2.2
203.10559	6.8
205.08638	5.7
205.12270	6.8
207.10144	1.9
211.07411	1.5
211.11143	1.1
215.10625	1.5
217.08589	2.5
219.08163	1.4
219.10179	4.9
219.13736	1.3
221.08049	9.2
221.11740	1.3
223.11142	1.3
227.10672	1.5
229.12238	4.4
231.10129	2.3
233.08046	2.8
239.07213	1.3
241.12204	4.7
243.13808	2.5
247.07509	1.5
249.09021	1.9
249.11412	1.7
255.13812	2.9
261.09073	2.2
265.08609	1.8
268.07339	1.3
269.08105	3.7
271.13312	1.2
275.10687	1.3
277.08578	2.9
281.08072	1.4
282.08768	1.9
283.09622	3.3
285.14966	3.0
289.08554	3.4
291.10165	2.2
295.09659	1.9
303.10211	1.5
304.10974	2.6
305.08298	1.6
305.11664	1.4
307.09735	1.7
309.11133	5.4
311.12778	1.3
321.11246	4.6
323.12750	1.8
324.13351	1.7
325.14349	1.4
327.12292	3.2
335.12866	5.7
339.12238	4.0
353.13806	4.0
357.13321	3.9
365.17563	2.4
377.17490	4.1
395.18698	11.0
413.19751	7.7
421.20438	1.4
439.20654	1.2
499.13196	1.2
548.59247	1.2
587.97430	1.1
613.86401	1.1
783.26654	5.1
783.43213	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	781.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55982	1.6
63.68914	1.5
67.05513	2.4
70.06608	2.0
71.51935	3.5
79.05513	3.8
81.03418	5.1
81.07039	2.6
91.05503	2.9
93.07014	2.3
94.48530	1.7
102.20715	1.7
105.07049	2.1
107.80442	1.6
115.11021	1.9
124.30692	1.8
143.03746	1.7
146.13005	2.0
151.07547	15.5
152.07907	2.8
160.01323	2.9
177.01599	9.2
177.09148	8.1
177.14911	2.0
184.07353	4.7
217.04814	3.0
219.10164	2.8
233.04234	2.9
234.05109	2.8
271.09451	33.0
275.05518	2.5
355.93204	1.7
363.08557	3.5
377.10056	2.3
378.10764	30.0
378.14999	2.6
379.11728	6.0
409.12668	32.3
419.13403	2.3
425.12112	74.2
426.12891	75.1
780.43115	2.9
781.24689	100.0
781.42822	13.6
782.24817	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	782.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
56.05044	0.7
57.03441	1.0
58.06607	100.0
61.02927	1.7
62.14188	0.4
62.90166	0.4
69.03439	3.4
70.01463	0.7
70.01871	1.6
73.02934	1.2
73.52816	0.4
81.03429	1.3
84.08159	1.9
85.02919	7.0
87.04487	0.6
87.51197	0.4
88.04000	4.4
97.02890	3.3
109.02919	0.7
116.07108	0.9
121.02892	4.5
123.04460	1.5
124.07616	1.9
127.03928	1.5
128.07103	4.2
132.08096	0.8
134.06032	0.6
139.03915	11.7
145.05064	0.7
149.06013	1.5
151.03886	2.0
151.07596	1.7
153.05472	4.5
155.03380	0.8
160.07597	35.2
161.05991	2.6
163.03920	6.7
177.05498	4.5
179.07053	5.6
190.83389	0.4
192.10219	2.0
205.04974	4.7
205.13399	1.1
208.09688	9.5
223.06039	7.0
254.10257	92.1
255.10623	1.9
322.12900	8.2
350.04120	0.5
367.18671	91.3
368.18964	2.2
416.15546	52.1
417.15753	0.9
596.72015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72060	0.7
56.05034	1.5
56.76242	0.7
56.82097	0.7
58.06605	0.8
60.08172	6.3
62.49387	0.9
65.41564	0.7
66.93887	0.7
67.05505	1.4
69.07097	1.0
69.36931	1.6
69.37346	4.6
71.07384	3.1
72.08158	0.7
76.73394	0.8
81.02139	0.9
81.07055	2.1
86.09716	31.6
92.21757	0.7
93.03227	0.7
95.08620	1.2
98.98482	3.0
104.10750	1.9
109.10146	0.9
119.00515	0.7
122.09865	0.7
125.00015	18.3
147.16460	0.8
151.07535	1.2
184.07361	100.0
187.75607	0.8
209.95953	0.7
236.56119	0.7
271.74597	0.7
322.47104	0.8
424.20667	0.9
681.20020	1.0
751.58051	0.9
780.54919	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	779.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
55.05513	1.8
55.74533	0.2
57.03444	2.2
57.07081	0.3
59.05018	0.4
61.02931	6.0
65.03952	0.5
67.05507	6.1
68.05835	0.3
69.03432	3.5
69.07072	1.7
70.84885	0.5
71.01350	0.6
71.04988	1.1
73.02920	5.0
79.05492	4.2
81.03423	2.4
81.07059	6.2
82.07386	0.2
83.04990	0.9
83.08630	1.1
85.02911	5.1
85.06542	0.3
87.04453	0.7
91.03962	3.9
91.05486	3.3
93.07047	4.3
95.04966	1.0
95.08617	4.7
97.02897	4.2
97.06530	0.5
97.10168	0.6
99.04465	1.3
101.02389	2.3
103.03954	0.4
105.07040	1.6
107.08612	1.9
109.02888	0.9
109.06563	0.4
109.10160	2.1
111.08059	0.3
115.04005	0.4
117.07059	0.5
119.08615	1.2
121.10142	2.7
123.08070	0.4
123.11722	0.6
125.09666	0.5
127.03916	1.9
129.07030	0.5
131.08617	1.4
133.10150	1.1
133.87480	0.2
135.11720	1.0
137.06020	1.2
145.05042	0.3
145.10196	0.6
147.11726	1.1
149.09682	0.8
149.13289	0.7
157.10234	0.5
159.11742	0.4
161.13292	0.4
173.13249	0.4
175.11232	0.5
176.17082	0.3
184.07370	0.4
185.04269	0.6
193.12282	0.5
203.05409	0.5
225.14990	0.7
233.11809	0.4
243.08360	2.4
261.22107	0.4
265.14111	0.3
267.15875	0.3
283.15179	5.5
335.25858	0.8
337.27457	0.7
338.27911	0.7
339.17914	0.5
372.53741	0.3
469.20468	0.3
501.23111	5.9
519.29352	8.4
719.43512	0.3
779.45544	100.0
780.45715	4.6
791.46173	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
55.05513	1.1
57.03437	2.3
59.04992	0.4
61.02937	5.0
63.61503	0.3
66.93199	0.3
67.05516	5.1
69.03448	2.9
69.07076	1.2
70.80228	0.7
71.01389	0.6
71.05006	1.1
73.02930	3.9
79.05505	3.2
81.03429	2.6
81.07069	4.3
83.05011	0.7
83.08630	0.5
85.02917	6.3
87.04476	0.7
91.03975	3.3
91.05492	2.7
93.07057	3.9
95.04982	1.1
95.08614	3.4
97.02904	5.0
97.06557	0.6
97.98770	0.3
99.04483	0.8
101.02384	1.6
103.03968	0.8
105.07044	1.8
107.08583	2.3
109.02904	0.8
109.06549	0.5
109.10172	1.5
110.87732	0.3
115.03909	0.5
117.07095	0.3
119.08599	1.3
121.10147	2.4
123.08086	0.3
123.11768	0.4
127.03949	1.5
129.05475	0.3
129.07048	0.6
131.08601	1.3
133.10173	0.7
135.11737	1.2
137.05992	0.6
141.50522	0.3
145.05026	0.6
145.10133	0.7
147.11739	0.9
149.09641	1.1
149.13356	0.3
157.10149	0.6
161.13206	0.4
175.11244	0.6
184.07375	0.3
185.04274	0.7
191.10841	0.5
193.12296	0.7
198.06224	0.4
203.05385	0.4
224.90779	0.3
225.14824	0.4
243.08452	2.3
267.16125	0.6
283.15216	5.4
335.25717	0.4
339.17996	0.7
354.37735	0.3
469.20511	0.4
486.56824	0.3
501.23071	7.7
519.29364	7.9
612.23651	0.3
617.40173	0.5
779.45563	100.0
780.46155	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	779.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.9
63.52365	1.8
65.03910	1.9
71.53104	2.8
79.05476	2.7
81.03448	9.7
81.07030	3.0
83.04970	4.3
84.08108	2.1
85.02930	2.3
89.72336	2.1
91.05484	7.2
93.03380	2.9
93.07053	2.9
103.05456	3.8
105.07020	5.0
107.04951	3.7
115.05392	2.5
115.75183	2.4
117.06986	3.0
121.06498	4.9
122.03636	5.0
124.00650	1.8
125.02336	4.7
125.05987	2.2
128.06219	5.3
129.07019	20.8
131.04924	15.1
131.08548	2.3
135.04422	2.9
136.05215	4.4
137.05986	100.0
140.41193	2.1
141.07013	2.2
143.04916	4.6
145.06525	10.2
151.03908	8.2
151.07545	80.3
152.07996	2.1
153.05455	6.9
155.03381	3.2
157.06503	15.3
158.07298	3.0
159.04338	2.2
159.08058	4.5
160.05186	5.4
161.05986	5.5
161.09673	2.2
163.07562	6.3
165.05548	2.7
167.07098	3.4
171.08083	4.3
172.08809	7.0
173.06033	5.0
174.06741	11.2
175.07561	29.7
176.08267	4.7
177.09093	4.6
185.05969	2.5
187.07545	32.0
188.08382	9.6
189.09128	82.4
191.08554	2.3
196.08711	2.9
200.08330	2.1
201.09123	6.7
202.09845	6.1
203.08759	3.8
203.10654	17.9
205.08556	3.8
207.10204	2.9
211.07787	2.1
213.09154	3.2
217.08511	10.4
219.08211	3.7
219.10144	11.2
227.10767	5.0
231.08179	3.2
231.10179	23.0
235.09846	2.3
247.07625	3.9
247.12996	2.3
248.08350	3.9
249.11234	13.5
251.10707	2.6
260.43866	2.1
263.10632	3.1
270.09006	4.3
271.09625	3.8
279.10196	7.5
283.09567	2.6
291.10190	9.3
296.10410	2.5
307.09290	2.3
309.11316	5.1
311.12833	11.8
323.12772	15.1
337.10648	2.4
341.13785	20.1
355.11810	2.4
357.13361	5.3
359.15109	3.7
385.12720	4.6
468.32053	5.0
484.31659	4.1
485.32440	3.0
512.30981	4.4
531.32471	3.0
717.38300	3.7
761.36780	8.2
779.38257	34.1
780.36896	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	778.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.8
56.05022	0.7
57.03444	1.5
57.07057	0.6
58.06596	0.3
60.07882	0.3
60.08168	5.7
61.02901	0.3
64.10030	0.2
64.52708	0.3
65.03941	0.2
67.05509	7.7
69.07076	2.5
70.06599	2.1
71.07384	2.7
71.44955	0.4
79.05075	0.3
79.05499	5.4
81.06598	0.5
81.07063	8.4
83.08635	1.1
85.02895	0.3
86.09710	28.2
91.05495	3.1
93.07050	6.2
95.04961	0.5
95.08611	6.4
97.06544	0.5
97.10167	0.3
98.98470	3.6
104.10750	2.1
105.04504	0.3
105.07055	2.2
107.08602	4.0
109.06557	0.3
109.10164	3.1
111.08099	0.3
116.07099	3.6
116.07867	0.4
117.06990	0.7
119.08593	2.6
121.10159	3.0
123.11707	1.1
125.00011	18.0
131.08569	1.7
133.10146	1.8
135.11717	2.3
137.09610	0.3
143.08623	0.4
145.10152	1.4
147.11719	1.4
149.13229	1.0
159.11671	1.0
161.13284	1.1
173.13252	0.8
175.14774	0.4
184.07349	100.0
185.13153	0.3
187.14804	0.5
199.14850	0.3
201.16405	0.4
227.17967	0.4
229.19470	0.5
243.21104	0.4
245.19029	0.6
247.20576	1.3
259.20551	0.6
261.22165	1.5
294.25717	0.3
317.24768	0.3
319.22617	0.5
321.24271	7.4
323.25879	0.6
333.11227	0.2
333.24329	0.4
335.25793	7.1
337.27237	0.6
507.41910	0.4
581.45825	2.3
587.61896	0.2
599.46686	1.8
609.86115	0.3
666.51831	0.3
778.53723	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	778.5392
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05041	0.8
58.06620	0.5
59.07380	0.2
60.08170	6.4
61.63712	0.1
67.05506	0.2
70.06602	3.1
70.91715	0.2
71.06988	0.2
71.07382	3.7
79.05501	0.2
81.07073	0.2
81.38301	0.1
84.08155	0.1
86.09715	30.9
87.10037	0.2
93.07062	0.2
95.08643	0.2
98.98476	3.4
104.10753	1.8
105.06973	0.1
116.07109	4.9
116.10664	0.1
116.99498	0.1
117.90102	0.1
125.00019	21.5
143.01038	0.1
147.11584	0.1
166.02690	0.2
175.33963	0.1
184.07359	100.0
185.07700	0.5
282.27271	0.1
327.08005	0.1
439.20483	0.2
500.31479	0.1
518.32233	0.2
551.33112	0.1
607.38965	0.2
663.45563	0.1
735.23792	0.1
778.53943	2.8
779.54590	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	0.4
55.05451	0.7
57.03349	1.6
59.04924	1.0
59.05184	0.4
61.02839	3.4
67.05415	5.7
67.05794	0.9
69.03339	2.3
69.07019	0.9
70.06506	0.4
71.04897	1.1
71.10744	0.5
71.11091	0.6
73.02823	2.5
79.05396	2.2
81.03318	3.3
81.06952	2.5
83.04907	0.7
83.08559	0.7
85.02807	3.4
86.09630	0.4
87.04398	0.7
91.03860	2.6
91.05373	2.4
93.06925	1.8
95.04868	1.4
95.08493	1.5
95.09022	0.3
97.02890	2.9
97.06428	0.6
99.04379	0.8
101.02264	1.4
105.06918	1.5
107.04871	0.4
107.08512	1.0
109.02796	0.7
109.06450	0.3
109.10165	5.9
111.08022	0.5
119.08462	1.1
121.10049	1.6
123.07973	0.6
127.03888	1.7
129.06868	1.1
131.08473	0.8
133.09998	0.9
137.05841	1.3
137.09515	0.6
145.06430	0.9
147.11562	1.3
149.09518	1.4
151.07565	5.1
151.08691	0.8
155.10616	0.4
157.10002	0.9
163.11093	0.5
173.11774	1.8
175.07407	1.0
175.11105	1.0
185.04216	0.5
189.09013	1.6
193.12096	1.5
195.09837	0.6
201.09036	0.6
203.10634	1.0
219.10065	1.1
225.14822	0.7
229.14436	1.7
231.10081	1.0
243.08444	2.4
249.11252	0.9
267.15930	0.9
283.15219	4.3
339.17563	1.3
345.80630	0.4
413.12323	0.7
413.17862	14.4
469.20767	0.7
483.21954	0.6
501.23141	14.4
511.28751	1.1
613.32141	0.5
673.34113	100.0
674.34613	3.1
759.37262	0.8
759.67993	0.4
777.38873	19.0
778.39435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
55.05512	1.6
61.02923	1.2
65.03956	1.6
67.05498	4.2
67.05853	1.0
69.03444	1.0
69.07066	1.4
69.82943	0.9
69.92693	5.2
76.49470	1.1
79.05487	5.1
81.03425	8.2
81.07040	3.0
82.07317	1.0
83.04985	1.0
86.11716	1.0
91.05493	3.9
93.07047	3.3
94.13637	1.0
95.04951	2.2
95.08622	1.5
97.02927	1.3
97.10165	1.3
101.85089	1.2
103.05495	1.3
105.07034	2.1
107.04951	3.4
107.08611	2.6
109.02879	1.3
109.06510	1.2
115.05456	2.8
117.06995	2.1
119.08548	2.7
121.06512	2.0
123.04400	1.5
128.06230	1.9
129.07005	4.3
131.04973	2.1
131.08574	2.5
133.10136	1.3
135.04428	5.8
135.11743	1.2
136.05176	1.6
137.05919	1.3
139.03880	2.4
143.04984	1.5
143.08553	1.5
145.06496	12.0
146.07237	3.0
147.04486	1.7
149.06088	1.4
151.03940	3.0
151.07559	62.8
152.07874	1.3
157.06505	6.9
158.07225	5.4
159.04398	2.5
159.08051	4.3
160.05115	1.5
160.08801	2.6
161.05994	2.5
162.06754	2.3
163.03955	5.2
163.11237	1.1
165.05479	4.1
165.09167	1.3
169.10207	1.0
171.08054	2.8
172.08859	8.5
173.06010	6.7
174.06778	16.8
175.07613	5.5
176.08293	2.5
177.05530	1.6
177.09163	6.9
181.06506	1.3
182.07373	1.4
184.07401	1.6
185.06059	1.1
186.06830	2.5
187.07552	2.7
188.08348	14.4
189.05582	2.3
189.09131	100.0
190.09549	1.2
191.10612	4.9
193.04933	1.4
195.08041	1.3
196.08850	1.6
197.09679	1.2
198.06761	1.5
199.07585	1.9
201.05426	1.4
201.09145	45.2
202.09851	5.3
203.07010	1.3
203.08751	1.0
203.10677	28.3
211.07468	1.4
212.08127	1.1
213.09109	4.7
215.07031	2.7
215.10699	3.6
217.08592	1.8
219.10114	15.0
221.11778	1.1
223.07635	1.6
224.08484	1.5
225.09146	2.4
227.10715	2.7
229.08563	1.1
231.08047	1.6
231.10190	20.7
235.07620	1.8
236.08594	1.0
237.09201	1.3
238.09932	1.6
239.10675	3.8
241.08644	4.4
247.07591	1.4
248.08545	1.5
249.09074	2.0
249.11278	13.8
250.09850	2.0
251.10727	2.1
253.08722	1.9
254.09305	1.8
255.10066	2.6
263.07053	1.3
263.10620	2.3
265.08679	1.8
267.10175	2.5
277.08664	2.6
278.09552	2.7
279.10266	1.7
281.11499	1.2
283.09686	1.8
289.08533	1.5
291.10226	4.0
293.08124	1.5
293.11737	1.7
294.08969	1.7
295.09708	1.8
303.10114	1.3
306.08820	1.7
307.09637	4.8
309.11157	3.1
313.10760	1.2
321.11255	6.2
322.49298	1.1
323.13223	1.6
325.10712	2.8
337.10919	5.1
339.12335	3.2
349.17200	1.4
351.12329	2.0
355.11752	3.1
369.13342	1.5
379.12772	1.3
544.37146	1.3
562.37903	1.4
645.20856	1.8
663.22150	2.3
693.23291	2.4
723.23932	1.5
741.24744	2.9
777.28119	1.6
777.40265	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	777.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.2
55.05509	0.9
59.90912	0.8
64.05206	0.7
64.79240	0.9
65.03947	1.3
67.05495	2.6
68.89847	0.9
68.99809	2.0
69.03432	1.3
71.52000	1.0
79.05502	3.3
81.03425	13.1
81.07076	1.4
82.03747	1.0
83.04991	1.6
85.02908	1.6
91.05496	4.1
93.03413	0.8
93.07037	1.6
95.04977	2.2
97.02905	2.6
105.03413	0.9
105.07047	2.2
107.04967	6.0
107.05594	1.0
109.02890	1.7
109.10164	0.9
111.04456	2.0
115.05470	4.0
117.07037	3.1
121.02914	0.8
121.06516	2.1
123.04463	2.5
125.02379	4.2
126.02668	1.0
128.06244	3.7
129.06998	2.9
131.04955	3.7
131.08554	1.3
133.06494	1.6
133.10106	1.0
135.04425	10.0
136.05122	3.6
137.02391	1.8
137.06026	5.2
139.03937	1.9
139.07591	0.8
141.07014	1.6
143.08543	1.4
144.05649	1.6
145.06494	14.2
146.07217	2.7
147.04462	1.2
147.08096	1.7
149.02342	1.5
151.03958	4.2
151.07556	100.0
152.07896	22.7
153.01833	1.4
153.08104	4.4
155.03429	4.4
157.06505	8.3
158.07306	7.3
159.04388	2.8
159.08067	8.6
160.05125	1.6
160.08775	3.0
161.05983	3.7
161.09535	1.7
162.06747	1.6
163.03929	3.0
165.01883	1.2
165.05501	3.8
167.03404	2.1
169.06395	1.1
171.08032	3.9
172.05173	1.2
172.08833	12.5
173.06013	8.4
173.09273	3.7
174.06772	14.4
175.03915	1.3
175.07561	8.3
176.08310	5.8
177.05643	0.9
177.09129	8.7
178.09425	1.1
179.03503	1.0
179.07027	2.2
181.06516	2.4
182.07098	1.1
183.07954	1.5
184.07326	1.9
185.05942	1.5
186.06741	2.1
187.07491	4.9
188.08333	16.5
189.05588	1.9
189.09128	94.1
190.09462	22.0
191.09575	2.8
191.10754	3.7
195.08044	1.9
196.08856	4.5
197.06006	1.7
197.09251	2.6
198.06741	1.8
199.07538	2.8
200.08316	3.1
201.09128	37.7
202.09685	9.3
203.06998	2.7
203.10692	29.6
204.11040	6.5
205.08545	1.4
205.11589	1.2
208.08789	1.0
209.09554	1.2
211.07483	1.2
212.08264	2.2
213.09108	7.6
214.09543	1.8
215.07051	1.7
215.10657	2.9
216.07683	2.2
217.08546	3.5
219.08121	1.7
219.10161	17.9
220.08743	1.4
220.10532	4.6
221.11156	0.9
222.10275	1.2
223.07605	1.0
224.08334	1.5
225.09067	2.9
226.09833	2.6
227.10677	5.4
228.11023	2.2
229.08737	1.9
229.11273	1.0
231.10190	28.4
232.08572	1.0
232.10608	7.6
233.08168	1.1
233.10944	2.4
236.08189	1.3
237.09038	1.4
238.09875	1.8
239.10706	3.9
241.08582	5.7
247.07585	1.4
247.09811	1.2
248.08170	1.0
249.08937	0.9
249.11292	21.4
250.11862	4.6
251.10869	0.8
251.12009	1.0
252.07710	0.9
252.11124	0.9
253.08644	1.3
253.12218	1.4
254.09328	1.4
255.10138	3.6
257.11807	1.2
263.10675	3.6
264.07669	1.4
265.08569	1.4
265.12369	1.6
266.09198	1.4
267.10025	2.5
269.08148	1.3
269.11673	1.1
277.08664	2.1
278.09222	1.9
279.10138	2.8
281.08170	1.2
281.11752	3.2
285.07761	2.1
289.08591	1.5
291.10120	4.8
292.10852	1.8
293.11563	2.0
296.10071	1.1
303.09857	1.0
305.08176	1.1
307.09686	4.0
308.10440	1.4
309.07877	1.1
309.11060	4.5
310.11823	2.6
311.12534	2.0
319.09714	1.0
320.10379	2.7
321.11295	5.5
323.09015	1.4
325.10703	3.4
326.11160	1.4
327.12317	2.5
333.11273	1.3
337.10635	5.0
338.11298	2.2
339.12094	4.3
351.12326	2.4
355.11749	5.0
356.11996	1.4
357.13260	3.5
358.13745	3.2
359.14133	2.3
367.11768	2.3
369.13242	4.5
385.12750	2.9
386.13382	2.4
387.13416	1.5
445.13397	0.8
480.30838	0.9
481.14780	1.3
493.15372	1.1
535.16211	1.1
663.21777	1.8
675.21918	0.9
681.23407	1.3
693.22711	2.1
711.23804	1.8
723.23810	1.9
740.87988	0.9
741.26001	3.2
755.15314	0.9
759.25586	1.1
777.39508	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	776.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.5
55.05516	39.9
57.03441	16.7
57.07076	2.5
59.05011	3.4
61.02914	3.5
65.03947	3.7
67.05509	100.0
69.03448	4.4
69.07075	19.2
69.85350	2.9
71.01361	1.2
71.04998	5.1
73.02924	2.4
77.03945	0.6
79.05498	45.3
81.03429	6.9
81.07062	59.6
83.04996	4.3
83.08629	14.9
85.02907	16.1
85.06527	3.1
87.04482	6.4
91.03979	0.7
91.05489	30.1
93.07050	42.2
95.04970	5.8
95.08613	41.6
97.02895	4.2
97.06020	0.7
97.06528	4.3
97.10175	22.4
99.08134	1.3
101.05985	0.7
103.03955	1.8
105.04556	1.1
105.07036	15.5
107.04980	2.0
107.07876	1.5
107.08601	28.5
109.06517	2.3
109.10163	56.6
110.10526	0.8
111.04476	0.8
111.08080	3.3
111.11728	1.0
117.07021	7.4
119.08588	14.7
121.06552	0.7
121.10149	20.4
123.08090	2.8
123.11694	5.6
125.09639	21.9
129.05522	0.8
129.07051	2.3
131.08560	10.8
133.10147	11.2
135.08145	1.3
135.11697	11.8
137.09596	3.2
137.13254	1.4
139.11191	2.1
142.07890	0.6
143.08589	2.0
143.10663	4.1
145.10127	9.0
147.08051	1.0
147.11697	8.0
149.09628	1.8
149.13289	5.9
151.11185	1.7
153.12766	1.2
155.08670	0.7
155.10674	4.7
157.10138	1.7
159.11702	6.5
161.13249	4.5
163.11218	5.4
163.14807	3.0
167.10599	0.9
169.12238	0.7
171.10294	0.7
171.11737	1.8
173.09564	0.7
173.11763	15.3
173.13295	5.2
175.11191	0.9
175.14862	2.2
177.12788	0.7
181.12279	1.8
183.11751	1.3
185.11736	0.7
185.13316	1.1
187.14867	2.3
189.11244	0.8
189.12909	0.7
191.10609	1.0
193.12242	2.1
197.13278	1.0
199.13301	12.5
199.14922	1.4
201.16420	1.5
203.12805	0.9
209.11755	2.7
211.13268	1.3
217.14235	3.1
219.17638	0.7
227.12788	6.2
229.14355	59.9
233.22757	0.7
241.14450	1.0
241.19569	0.9
243.21066	4.6
245.13832	3.2
257.13754	1.3
257.19318	0.6
259.20715	2.1
261.22150	15.9
267.15912	4.9
269.06070	0.6
271.20523	0.9
277.21722	1.8
283.15396	1.9
289.21515	1.0
297.22238	0.9
300.15192	0.8
301.16479	18.4
301.21536	0.9
309.21927	0.7
315.23288	1.8
317.24850	3.3
327.23117	1.8
330.67902	0.7
333.24261	1.8
335.25818	87.3
336.26260	2.0
345.84918	0.7
351.25159	1.2
363.25333	2.7
369.24350	0.8
397.30945	1.2
451.31906	1.2
459.34537	1.4
463.21683	1.0
469.33380	1.2
477.35812	11.3
487.34186	0.9
489.35788	19.1
507.36200	0.9
517.35193	1.3
525.35498	0.7
543.36603	4.0
561.37842	9.4
562.17041	0.8
579.38263	2.0
723.43396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.4
58.54427	2.0
67.05499	12.6
69.07046	3.9
70.10885	10.4
79.05495	6.3
81.03423	15.7
81.07069	7.1
82.60744	2.5
83.08635	2.5
85.02919	3.4
91.05501	8.6
93.07046	5.9
95.08657	4.0
97.02910	2.6
97.06583	2.8
98.19537	2.5
105.07028	4.6
107.04955	4.2
107.08575	3.7
109.10152	4.4
119.08607	3.1
121.10211	3.0
125.02362	5.9
133.10088	2.8
135.04427	5.2
145.06554	3.0
149.02347	3.0
151.07552	100.0
155.03366	4.0
159.08055	4.7
172.08839	3.1
174.06676	4.7
175.07469	4.1
177.09058	3.8
184.07317	4.0
188.08366	6.1
189.09137	34.4
191.10832	2.7
193.68893	3.0
201.09096	7.2
202.09778	5.5
203.10777	11.8
213.09059	3.7
219.10153	23.6
227.10664	3.4
231.10144	21.7
249.11275	18.8
285.95999	2.6
291.09860	2.4
309.11078	6.0
355.12091	3.7
357.13379	5.4
385.12967	9.8
399.97778	3.2
503.33685	3.0
543.36865	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	775.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.1
63.31568	0.3
65.03938	0.7
67.05495	0.3
67.67812	0.3
68.99792	1.1
69.03430	0.4
69.29608	3.0
72.08157	0.5
77.03941	0.4
79.05511	2.0
81.03424	10.7
81.07035	0.4
83.04983	1.5
85.02917	0.5
89.03944	0.5
91.05483	3.0
93.03410	0.6
93.07030	0.5
95.04974	1.2
97.02921	2.2
103.05460	1.0
105.03392	0.4
105.07030	0.9
106.04170	0.4
107.04971	4.3
108.05733	1.5
109.02885	1.0
109.06538	0.6
111.04456	0.9
115.05421	1.7
117.07082	1.8
118.01447	0.4
118.04148	0.5
121.02863	0.5
121.06521	1.8
122.03587	0.4
123.04461	1.0
125.02367	5.1
128.06215	2.1
129.07018	3.0
130.63281	0.3
131.04918	2.0
131.08571	0.9
132.05768	0.5
133.02864	0.4
133.06474	0.9
135.04420	8.0
136.05209	3.6
137.02324	0.8
137.05981	3.5
138.06729	1.0
139.03949	0.5
139.07591	0.5
141.06987	0.8
143.04950	1.1
143.06015	0.3
143.08568	1.6
144.05717	1.3
145.06487	7.9
146.07260	1.9
147.08040	0.5
149.02345	0.7
151.04141	1.9
151.07552	100.0
152.06247	0.5
152.07899	0.8
153.06970	0.3
155.03418	6.5
155.06081	0.5
156.05743	0.7
157.06497	3.9
158.07288	4.3
159.04440	1.5
159.08052	4.4
160.05215	1.6
160.08832	1.8
161.05983	3.0
161.09738	0.5
162.06783	0.5
165.05519	1.8
165.06943	0.8
165.09189	0.4
167.03462	1.8
167.07135	0.4
169.06465	0.7
171.08043	3.7
172.05234	0.5
172.08835	8.6
173.05992	6.5
173.09598	0.5
174.06775	10.2
175.03941	1.0
175.07556	6.2
176.08379	3.9
177.09129	3.9
178.07832	0.4
179.03441	0.9
181.06490	2.0
182.07307	0.9
183.08078	1.2
184.05214	0.4
184.08855	0.4
185.06070	1.0
186.06728	0.9
187.07570	5.9
188.08333	13.6
189.09122	59.8
190.09686	0.5
191.07053	0.5
191.09021	0.6
191.10674	3.2
195.08051	1.6
196.08846	5.4
197.05969	0.6
198.06728	0.9
199.07545	0.7
200.08321	2.2
201.09126	14.1
202.08035	0.6
202.09894	6.7
203.07074	1.9
203.10670	19.2
204.07706	0.5
205.06793	0.4
205.08626	1.2
207.08199	0.5
208.08890	0.5
209.09616	0.8
210.10374	0.5
211.07541	1.4
212.08354	2.1
213.09131	6.0
214.09830	0.6
215.07069	1.2
215.10724	1.0
216.07825	1.7
217.08655	1.1
219.08138	1.0
219.10158	15.5
221.09702	0.4
221.11819	0.6
222.10419	0.8
223.07713	0.6
224.08365	1.4
225.09180	1.2
226.09894	2.7
227.10680	7.0
228.11353	0.4
229.08636	0.8
231.10179	27.6
232.08658	0.5
232.10754	0.7
233.08037	1.0
234.10426	0.8
235.07599	0.7
237.09201	0.5
238.09906	0.8
239.10651	1.9
241.08627	0.7
241.12259	1.4
243.10165	0.7
247.07614	0.6
248.08302	0.7
249.11258	17.3
250.09869	0.8
251.10751	0.8
252.11383	0.7
253.12384	0.9
254.09415	0.6
255.10269	1.8
256.10498	0.3
257.11725	0.7
261.09042	0.7
262.09778	0.6
263.07278	0.6
263.10681	1.3
265.08835	0.5
265.12329	1.0
267.10229	0.8
269.11798	0.9
270.12524	1.5
276.07709	0.5
278.09360	1.1
279.10153	0.7
281.11792	1.9
283.09763	0.6
283.13275	0.8
291.10175	1.2
293.11670	1.3
294.08905	0.4
295.09497	0.4
297.11282	0.8
299.12805	0.6
307.09485	0.5
308.10129	0.5
309.11200	5.2
311.12781	1.4
313.10504	0.5
313.14047	0.4
319.09769	0.6
325.10654	0.9
327.12119	1.0
337.10718	2.9
337.14316	0.6
339.12344	1.3
341.13995	0.8
355.11676	2.8
355.15390	0.4
357.13327	7.2
367.11865	1.2
371.15125	0.7
373.12894	0.5
385.12827	6.6
399.71518	0.4
403.13910	1.3
445.49045	0.3
453.72610	0.4
535.02094	0.3
583.08313	0.4
709.23108	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
65.03938	0.6
67.05505	0.3
68.99785	0.5
69.03431	0.4
70.69258	0.4
77.03939	0.3
78.04714	0.3
79.05487	1.0
80.06259	0.4
81.03422	11.6
83.01339	0.2
83.04975	1.0
85.02922	0.5
90.04705	0.3
91.05482	2.1
93.03405	0.3
94.04192	0.2
95.01356	0.2
95.04974	0.8
97.02900	2.1
102.04667	0.3
103.05482	0.6
105.03426	0.5
105.07021	0.7
107.04963	3.3
108.05737	1.8
109.02892	0.5
109.06564	0.4
111.04448	0.9
115.05447	1.3
116.06240	0.6
117.07034	1.2
119.04964	0.3
121.02848	0.4
121.06505	1.6
122.03674	0.3
123.04425	0.7
125.02357	5.2
128.06227	1.2
129.07013	2.0
131.04938	1.2
131.08580	0.5
132.05653	0.4
133.06494	1.0
135.04430	3.1
136.05199	2.6
137.02347	0.3
137.05029	0.3
137.05995	3.0
138.06754	0.6
139.03912	0.5
139.07533	0.3
141.06998	0.7
142.07677	0.2
143.04897	0.8
143.08569	0.7
144.05742	1.2
145.06490	6.2
146.07262	1.7
147.04428	0.5
147.08032	0.4
149.02301	0.6
149.05956	0.4
151.03915	1.9
151.07550	100.0
152.06197	0.6
152.07892	0.7
153.01813	0.3
155.03394	5.4
155.06035	0.4
156.05707	0.6
157.06499	2.6
158.07263	2.8
159.04433	0.8
159.08055	3.8
160.05206	1.3
160.08841	1.5
161.05991	2.4
161.09673	0.2
162.06767	0.5
163.03853	0.3
165.05487	1.9
165.07013	0.7
167.03410	1.0
167.08556	0.4
168.05650	0.3
169.06439	0.4
171.08049	2.8
172.08850	6.0
173.06006	3.5
174.06770	5.4
175.03877	0.8
175.07552	4.3
176.08336	2.8
176.94205	0.2
177.09105	2.4
178.07819	0.3
179.03391	1.0
179.08553	0.4
180.05698	0.3
181.06474	1.5
182.07286	0.7
183.02934	0.2
183.08081	1.0
184.08763	0.4
185.06041	0.4
186.06712	0.6
187.07565	4.2
188.08327	10.1
189.09116	41.3
190.07797	0.3
190.09613	0.6
191.03389	0.5
191.07054	0.3
191.08694	0.5
191.10672	2.2
194.07281	0.3
195.08118	1.4
196.08849	6.0
197.06021	0.4
197.09558	0.5
198.06760	0.6
199.07460	0.7
200.08307	1.6
201.05469	0.7
201.09108	7.4
202.08011	0.5
202.09901	5.0
203.06978	1.0
203.10677	13.1
204.07831	0.4
205.08653	1.1
207.08081	0.5
208.08882	0.7
209.04454	0.3
209.09639	0.5
210.10315	0.4
211.07516	1.3
211.11009	0.2
212.08302	2.2
213.09106	4.8
214.09830	0.4
215.07040	0.6
215.10667	1.0
216.07916	1.7
217.08601	0.7
218.07426	0.3
219.08206	0.8
219.10158	13.4
220.07185	0.5
220.10567	0.4
221.09613	0.6
221.11702	0.6
222.10367	0.6
223.07564	0.6
224.08339	1.0
225.09138	0.8
226.09918	2.5
226.97406	0.2
227.10678	6.4
228.11378	0.5
229.08592	0.7
231.10172	19.6
232.08836	0.3
232.10838	0.4
233.08034	0.9
233.09967	0.4
234.10403	0.9
235.07516	0.7
236.08315	0.4
237.09058	0.4
238.09871	0.9
239.07031	0.4
239.10667	1.9
240.07866	0.3
241.08592	0.5
241.12222	0.9
243.10080	0.4
247.07573	0.5
248.08359	0.4
249.11241	11.9
250.09880	0.7
251.10715	0.7
252.11357	0.5
253.08592	0.6
253.12241	0.9
254.09378	0.5
255.10135	1.3
257.11682	0.6
261.09048	0.4
262.09940	0.5
263.06940	0.2
263.10757	1.3
265.08615	0.3
265.12158	0.8
266.09406	0.5
267.10095	0.8
268.10831	0.3
269.11655	1.2
270.12585	1.5
271.09695	0.3
277.08688	0.4
278.09332	0.8
279.06915	0.3
279.10129	0.9
281.11780	1.8
283.09644	0.6
283.13272	0.6
284.10461	0.3
285.11276	0.4
291.10040	1.4
293.11630	0.8
294.08636	0.5
294.12112	0.2
295.09601	0.8
297.11258	0.6
299.12787	0.4
305.11591	0.3
307.09695	0.5
309.11206	4.5
311.12735	1.1
313.10669	0.5
319.09555	0.5
322.11856	0.3
323.08838	0.3
325.10687	0.5
327.12320	0.8
333.04211	0.3
337.10590	2.5
337.14282	0.5
339.12424	1.5
341.13818	0.3
349.10376	0.3
355.11749	2.5
355.15561	0.4
356.12366	0.3
357.13358	7.4
367.11847	1.3
371.14740	0.9
373.12717	0.5
385.07980	0.4
385.12811	6.0
386.13501	0.3
602.58496	0.3
630.71606	0.2
640.95782	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	5.8
55.05512	1.8
57.07046	1.1
65.03967	2.0
67.05499	4.1
68.99807	1.9
69.03404	1.5
69.07091	1.2
70.49721	1.2
71.51959	1.8
79.05489	3.7
81.03432	16.3
81.07047	2.2
83.04989	2.1
90.44378	1.1
91.05496	7.2
93.07037	2.1
94.04179	2.0
95.04991	1.8
95.08598	1.4
97.02897	5.1
103.05473	2.9
103.38489	1.0
105.07048	2.6
107.04948	5.0
108.05752	1.6
109.10149	1.6
111.04447	2.8
114.36668	1.1
115.05445	7.5
116.06238	1.4
117.07072	6.0
119.08577	1.5
121.02834	2.3
121.06545	2.2
122.03627	4.7
123.04450	3.2
125.02358	11.1
128.06248	7.0
129.07024	17.5
131.04968	6.2
131.08577	2.8
132.05705	1.9
133.06552	2.2
133.10229	1.2
135.04424	5.9
136.05223	3.2
137.02420	1.6
137.05995	86.3
139.03917	2.6
141.06978	2.7
143.04922	4.9
143.08585	2.2
144.05734	2.6
145.06511	19.7
146.07289	4.7
147.04449	1.5
149.02322	1.7
151.03952	16.7
151.07565	84.2
152.06229	1.3
152.07788	1.1
153.07011	3.7
155.03412	14.2
156.05710	3.5
157.06516	19.8
158.07275	5.1
159.04414	3.8
159.08054	9.8
160.05215	16.5
160.08852	2.7
160.10226	1.0
161.06023	9.0
162.06750	2.7
163.03876	2.3
163.07512	2.5
165.01741	1.5
165.05490	5.3
165.06897	2.4
167.03441	7.9
168.69354	1.2
169.06477	2.5
171.08037	6.4
172.05202	1.8
172.08878	13.8
173.05972	11.4
174.06784	16.4
175.03897	2.2
175.07579	63.2
176.08307	7.6
177.05536	1.6
177.09166	6.6
179.03394	6.8
181.05029	2.8
181.06496	7.3
182.07323	1.7
182.78284	1.2
183.08147	1.3
185.05989	7.3
187.07568	17.8
188.08333	20.0
189.05563	7.4
189.09134	100.0
190.09666	2.0
191.03445	1.9
191.07040	2.1
191.08611	3.1
191.10692	5.4
195.08058	2.3
196.08853	4.4
197.06036	2.1
197.09544	1.6
199.07523	5.5
200.08353	3.2
201.05498	4.4
201.09134	14.9
202.09937	8.8
203.07022	1.8
203.10698	29.7
204.07852	1.5
205.06740	2.5
205.08591	11.3
207.08047	2.6
211.07545	2.2
212.08305	3.4
213.09135	12.1
215.10799	1.5
216.07793	3.7
217.08629	21.7
219.06291	1.5
219.08145	3.0
219.10115	14.8
225.09155	3.6
226.09943	1.9
227.07079	1.5
227.10683	8.6
229.08617	1.5
231.10196	38.5
235.07472	3.4
235.09685	13.4
237.09164	1.5
239.10654	4.0
241.08691	2.7
241.12221	1.2
246.06830	1.2
247.07706	2.4
249.09064	1.4
249.11255	21.5
251.06897	2.3
251.10703	2.4
253.08604	2.9
255.10257	1.4
256.10928	1.4
261.09280	1.3
263.07159	1.8
265.08530	1.7
267.10190	3.1
269.11682	2.4
277.08575	2.8
278.09418	1.9
279.10284	2.4
281.11523	2.7
283.06067	1.7
283.09433	1.3
291.06497	1.4
291.09848	1.9
293.07996	3.1
293.11453	1.3
295.09479	5.9
297.11301	2.9
298.08414	1.9
305.08218	2.4
307.09732	2.3
309.08054	1.3
309.11191	6.8
311.09177	1.9
311.12567	1.5
323.09280	6.2
324.09756	1.3
325.10593	5.9
327.12177	1.8
335.09207	1.9
337.10828	6.0
338.11621	1.9
339.12296	3.9
341.10223	2.3
343.11716	5.7
351.12216	1.3
353.10226	2.0
355.11884	5.1
356.12485	3.3
357.13260	10.3
367.11752	3.2
371.11292	6.1
385.12772	8.4
461.28641	1.4
483.12448	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.9
55.05515	18.3
57.03447	17.2
57.07085	2.0
59.05014	1.2
59.63695	1.1
65.03945	3.4
67.05511	66.6
69.03436	3.1
69.07073	15.9
71.04993	4.4
73.02911	1.1
79.05498	42.2
81.03424	94.0
81.07060	63.5
83.04992	4.5
83.08153	1.7
83.08625	24.6
85.02921	1.6
85.06578	1.4
91.05486	32.0
93.07051	46.5
95.04977	30.0
95.08612	45.9
97.02906	3.0
97.06533	4.4
97.10183	6.5
99.08109	1.5
105.03494	1.1
105.07038	27.7
107.04968	7.3
107.08598	25.6
107.09306	1.7
108.60655	1.1
109.06520	7.0
109.10165	21.3
111.04466	2.3
111.08099	7.1
114.58598	1.2
115.05534	1.1
117.07013	8.0
118.07885	1.0
119.08590	25.6
121.06517	3.9
121.10152	23.7
123.04434	1.7
123.08086	3.7
123.11702	8.4
125.09705	5.2
129.07031	9.6
131.08577	20.4
133.06525	3.9
133.10152	16.2
135.08060	1.8
135.11702	15.6
137.05930	1.0
137.09624	2.1
137.13303	1.5
142.07765	2.5
143.08522	2.1
145.10152	10.1
147.08076	3.6
147.11694	16.5
149.09673	5.8
149.13264	7.9
155.08531	1.7
157.10141	12.2
159.11678	5.9
161.13264	7.4
163.11183	2.8
163.14818	4.3
165.12761	2.7
171.11736	3.0
173.13249	7.4
175.11179	9.0
175.14845	3.5
177.16345	1.4
183.11691	1.4
185.13339	1.4
187.14864	3.0
189.11263	3.8
193.12233	24.4
201.16515	1.5
206.34641	1.1
211.13280	2.9
223.15048	1.5
227.12772	7.2
229.12442	1.4
235.13306	1.7
243.21065	6.1
249.14957	2.2
259.13245	1.9
261.22183	21.4
267.15939	100.0
268.16309	1.4
279.23145	1.8
301.25229	6.4
309.17050	1.7
317.24695	4.1
335.25827	92.4
363.25357	1.5
417.31839	1.8
421.25854	3.5
431.27759	1.7
435.27173	3.0
435.32697	5.5
453.33731	6.1
461.28708	1.3
463.30566	1.2
470.05264	1.3
471.34552	4.5
509.36496	1.6
527.37402	66.7
528.37585	1.7
545.38428	59.0
559.39789	2.8
569.38293	4.8
671.40979	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.8
55.05517	31.0
57.03442	17.9
57.07057	3.7
59.05328	3.6
61.02915	10.3
61.79715	3.4
65.03941	6.0
67.05186	5.4
67.05514	90.3
69.03415	6.9
69.07078	29.3
70.56561	3.4
71.05006	4.5
71.53024	6.1
73.02926	9.1
79.05505	70.8
81.03413	6.9
81.07065	90.2
83.04972	6.6
83.08620	12.2
85.02894	13.2
91.03975	4.5
91.04977	6.0
91.05492	65.5
93.06490	4.9
93.07052	77.5
95.04961	9.6
95.08624	61.9
97.02890	11.7
97.06508	4.1
105.06400	5.9
105.07040	66.8
107.08600	40.5
109.06515	5.5
109.10164	26.6
117.07018	16.1
119.08597	51.4
121.10158	35.2
123.11681	8.7
128.06206	5.9
129.07024	16.7
130.07710	3.5
131.08591	38.1
133.10150	47.8
135.11690	21.3
143.08548	19.1
145.10141	28.3
147.11694	37.5
149.13251	10.9
155.08545	9.6
156.15436	3.2
157.10141	17.1
159.11710	25.8
161.13254	25.5
163.14986	3.8
169.10129	10.2
171.11629	18.7
173.13243	19.6
175.14827	16.1
183.11731	8.1
184.07356	5.1
185.09608	3.8
185.13281	10.2
187.14798	9.5
196.12387	3.6
199.14874	9.0
201.16333	4.2
207.11752	4.0
211.14850	6.9
213.16322	5.2
231.21072	6.2
239.17751	3.8
241.19530	28.9
257.18970	11.1
259.20609	51.9
261.22147	8.6
273.22223	3.9
315.23352	4.6
331.22543	4.4
331.81284	3.7
333.24203	37.7
335.25830	85.5
367.22519	7.8
481.58813	3.7
519.42133	6.7
546.74139	3.7
593.45917	6.3
609.45209	6.9
611.46704	100.0
701.46802	6.0
719.48492	7.2
742.69910	4.0
755.49908	4.9
759.16144	4.3
773.42896	9.1
773.52924	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	773.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.6
57.03443	2.6
61.02943	5.9
65.13812	1.1
67.05515	3.2
69.03426	4.8
69.07061	4.0
71.83316	1.1
73.02927	4.9
79.05504	3.1
81.03429	2.4
81.07073	4.3
83.08636	2.3
85.02927	6.3
91.03960	4.3
93.07055	2.7
95.08615	4.0
97.02923	7.2
99.04498	1.8
101.02378	1.9
107.08571	1.3
113.03383	1.1
121.10171	3.4
123.11810	1.2
127.03964	1.7
135.11789	1.9
148.57886	1.4
184.07295	1.6
203.90002	1.1
233.36472	1.1
243.08514	1.4
288.71109	1.1
317.49863	1.1
334.76620	1.5
432.86563	1.3
495.29550	6.9
519.29730	3.4
605.76862	1.3
643.12323	1.4
703.78210	1.2
773.51782	100.0
774.52264	4.1
799.48376	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.3
55.05519	31.8
57.03429	15.8
61.02922	11.2
65.03956	4.1
67.05508	94.2
69.03429	11.1
69.07076	26.8
71.04980	6.0
71.08395	7.8
73.02920	6.2
79.05070	6.1
79.05499	75.7
81.03401	6.2
81.07063	93.2
83.08627	14.9
85.02918	13.5
86.21882	3.7
91.03932	5.3
91.04922	5.9
91.05488	75.1
93.07055	99.1
93.07637	6.1
95.04984	11.9
95.08621	70.8
97.02910	12.0
97.06550	6.1
97.10155	5.2
103.05515	5.2
105.07042	64.8
105.07746	2.8
107.08606	51.4
109.06557	4.8
109.10164	29.2
111.08107	4.3
117.07018	28.0
119.08591	58.1
120.85481	3.8
121.10155	35.8
123.11689	7.7
128.06247	5.1
129.06989	17.5
131.08574	40.4
133.10141	52.4
135.11678	28.2
142.07852	3.7
143.08585	26.4
145.10143	40.6
147.11711	40.0
149.09633	5.1
149.13278	17.0
155.08517	5.5
157.10158	22.2
159.11687	31.4
161.13292	33.6
163.14870	7.3
169.10170	11.5
171.11687	27.2
173.13235	18.6
175.14903	10.2
181.10191	6.7
183.11714	9.7
185.13281	16.7
187.14934	9.5
197.13261	6.8
199.14891	13.5
209.13428	4.1
211.14816	5.0
213.16350	5.7
225.16380	4.6
231.21143	5.5
239.18059	6.2
241.19543	24.1
257.19183	5.3
259.20590	56.3
261.22253	8.5
301.21536	5.0
313.21600	8.0
315.23358	4.9
332.88568	3.6
333.24258	40.8
335.25870	67.6
385.23764	5.0
444.06601	3.9
464.58682	4.0
519.41577	5.0
593.45331	12.8
611.46765	100.0
619.96472	3.6
623.46692	4.8
701.47101	9.4
719.48254	6.1
737.50116	4.6
773.51471	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	773.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
55.05518	1.8
57.03433	0.6
59.05017	0.4
61.02931	0.5
65.03946	1.2
66.04715	0.5
67.05510	3.5
69.03085	0.5
69.03433	4.8
69.07072	3.0
69.75362	0.4
70.06595	4.4
70.82542	0.8
70.82913	0.7
71.04995	1.6
77.03908	0.4
78.04725	0.5
79.05063	0.6
79.05501	7.3
81.03429	6.0
81.07064	10.7
83.04990	4.9
85.02907	3.1
85.06550	0.6
86.09689	0.6
91.05492	7.7
93.07054	11.3
94.04191	3.1
95.04973	3.7
95.08612	4.8
97.02900	2.6
97.06546	6.3
99.04461	3.7
103.05481	1.8
104.06310	0.4
105.07041	12.1
106.07391	0.6
106.08238	0.3
107.04988	2.1
107.08608	8.1
109.02879	5.2
109.06528	7.0
109.10182	1.9
111.04453	0.9
111.08102	3.1
113.06051	0.5
115.04002	0.5
115.05445	3.0
115.07578	1.0
116.07108	1.0
117.07016	2.0
118.04156	0.5
119.04948	1.3
119.08592	7.0
121.02847	0.4
121.06511	11.2
121.10133	2.2
122.03680	5.8
123.04424	1.2
123.08089	1.3
123.11731	2.0
125.06010	4.1
127.03925	7.1
127.07574	2.0
128.06255	2.1
129.07018	3.2
131.04935	2.0
131.08545	2.1
132.05743	1.8
133.06509	4.3
133.10138	3.7
135.04443	1.7
135.08080	4.8
137.05989	100.0
137.13173	0.5
138.06351	1.1
139.03908	0.5
139.07544	3.5
139.08562	0.5
139.62651	0.4
141.05431	0.4
141.07047	0.5
142.07800	1.0
143.05013	0.6
143.06035	0.7
143.07030	3.7
143.08492	2.1
144.05708	0.9
145.04944	1.5
145.06526	1.8
145.10150	2.8
146.03642	0.7
147.04453	2.0
147.08041	4.4
147.11705	12.0
149.05986	2.0
149.09669	0.6
149.11041	0.4
149.13272	1.0
151.03922	0.9
151.07544	2.2
151.11195	0.8
152.26912	0.4
153.09102	0.8
155.04948	1.0
157.06592	0.5
157.08646	1.5
157.10149	4.1
159.08098	2.4
160.05222	1.6
161.06000	13.1
161.09625	1.1
161.13257	1.7
162.06259	0.6
162.10010	0.5
163.03909	0.6
163.07556	2.8
163.11185	0.6
165.06952	0.5
165.09198	0.5
165.12749	5.7
166.07820	0.4
167.06970	1.0
169.10025	0.4
169.12283	1.5
171.08063	1.1
171.10292	0.7
171.11673	3.4
172.05202	1.1
173.09680	1.2
173.13264	0.6
175.07567	24.2
175.11185	6.3
177.05534	0.5
177.09142	0.9
179.07039	1.5
179.08443	0.6
180.09311	0.4
181.04977	0.5
181.06520	0.5
181.10086	0.8
184.05194	0.8
185.06024	0.8
187.06015	4.5
187.07581	8.2
187.11208	0.5
189.06996	0.7
189.09135	1.3
189.12761	5.5
190.07790	2.1
191.06956	0.6
191.08580	7.2
191.14336	0.9
193.08539	0.7
193.12262	7.3
199.07539	5.0
199.09283	0.6
199.09616	0.6
199.11179	4.0
202.07713	2.2
203.06892	0.6
203.08595	4.1
203.10498	0.6
205.07018	2.2
205.08707	0.4
205.12148	0.5
207.08041	0.6
207.13823	3.9
208.08925	0.5
209.15430	0.5
211.13304	5.9
215.08586	0.5
217.08691	1.5
217.12248	17.2
218.07249	1.8
219.08087	11.2
219.09793	0.3
220.08829	2.4
221.09644	0.5
226.97546	0.5
229.14342	1.8
230.07329	0.7
231.08070	6.5
232.08835	1.1
233.11725	0.8
235.07759	0.8
235.13310	23.8
236.08461	1.9
237.09116	0.5
242.10379	0.7
246.06853	0.5
247.07585	5.4
248.08327	4.2
249.09081	0.8
251.10692	17.0
252.11168	0.4
253.08783	0.8
253.12163	0.5
253.14371	13.5
253.55875	0.4
258.06696	0.7
259.07590	3.6
260.08383	1.5
260.11258	0.9
261.09109	1.6
262.09912	0.6
263.10687	2.9
264.07886	1.8
265.08640	1.0
275.07056	0.5
276.07822	2.1
277.08533	2.2
279.10175	14.4
280.10895	1.4
281.08142	1.1
283.13455	0.6
285.11444	0.7
291.10165	8.7
292.10944	2.0
293.08127	0.6
295.09952	0.6
295.13031	0.5
296.10254	1.8
308.10513	0.8
309.11359	0.6
311.12799	40.1
312.13107	0.8
315.15799	0.5
319.15634	0.5
321.11136	0.7
323.12811	15.7
324.13168	0.5
325.14310	1.4
333.11047	0.5
335.12680	0.5
341.14090	2.2
343.15176	0.7
353.13831	0.6
361.16528	0.7
365.14163	0.6
379.17505	1.2
397.18750	1.9
401.14032	1.3
419.15140	0.8
537.33240	0.4
711.52600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.0
55.05510	0.7
61.97939	0.7
62.57037	0.6
64.91138	0.6
65.03964	0.7
67.05494	1.8
68.99779	1.4
71.09483	1.2
71.09810	0.8
77.03930	1.0
79.05508	3.0
81.02998	1.0
81.03429	13.2
81.07020	0.7
83.04974	1.9
85.02894	1.4
91.05493	3.8
93.03436	1.0
93.07038	1.2
95.04979	1.6
95.08573	0.9
97.02924	3.7
97.20409	0.6
103.05441	1.5
105.03384	1.0
105.07008	1.2
106.04278	0.7
107.04951	5.6
108.05747	2.0
109.02898	0.9
111.04439	1.6
115.05453	4.9
117.07018	2.9
119.08604	1.0
121.02815	1.3
121.06521	1.5
123.04433	2.5
125.02356	8.6
128.06250	3.2
129.06999	6.0
131.04941	3.7
131.08560	1.9
132.05679	0.8
133.06517	1.2
135.04422	40.3
136.05260	3.0
137.02380	0.7
137.06046	0.9
138.06729	0.9
139.03900	1.2
141.06950	2.0
143.04942	3.0
143.08578	1.3
144.05669	1.8
145.06477	14.2
146.07327	3.1
147.04480	1.1
147.08107	1.0
149.02371	3.7
151.03951	8.8
151.07545	100.0
152.07872	0.9
153.06992	0.9
155.03412	11.5
156.05728	1.4
157.06505	8.9
158.07281	4.4
159.04422	2.2
159.08073	8.6
160.05231	1.9
160.08855	2.7
161.06003	6.1
162.06773	0.8
163.03914	1.6
164.08426	0.7
165.01823	0.7
165.05487	2.8
165.06912	1.8
166.02599	0.9
167.03435	5.6
169.06464	1.5
171.08018	4.3
172.08830	12.7
173.06003	22.3
174.06747	9.1
175.03925	2.2
175.07538	6.5
176.08348	7.9
177.09091	5.5
179.03365	5.4
181.05063	1.5
181.06509	3.2
182.07251	1.7
183.02878	1.0
183.08031	1.1
185.05966	5.3
186.06737	1.5
187.07567	9.6
188.08328	19.6
189.05585	4.5
189.09114	78.7
190.09700	1.9
191.08609	1.3
191.10680	2.7
194.07202	0.7
195.08104	2.1
196.08876	6.5
197.05962	2.3
197.09651	0.7
198.06749	1.0
199.07513	1.6
200.08366	2.3
201.05479	4.1
201.09093	10.6
202.09898	8.8
203.07027	5.3
203.08678	1.3
203.10660	27.0
205.06580	1.4
205.08507	1.5
207.08076	1.4
208.08830	1.0
209.04370	1.1
209.09604	1.1
210.06712	0.7
210.10463	1.0
211.07550	2.0
212.08365	3.0
213.09114	8.7
215.07079	5.7
215.10693	1.8
216.07813	1.9
217.06670	0.9
217.08580	1.5
218.07260	0.9
218.09325	1.0
219.06395	0.9
219.08105	2.2
219.10123	17.0
221.11700	0.9
223.07484	1.6
224.08437	1.1
225.05531	0.9
225.09152	1.3
226.09888	2.8
227.10706	9.1
227.12805	0.7
229.08591	1.1
231.10167	35.4
233.08104	2.8
234.10320	1.4
235.07571	1.4
237.09213	0.9
238.09933	1.5
239.06998	0.7
239.10677	2.9
241.08551	1.1
241.12225	1.3
247.07524	1.8
247.09871	0.8
249.09122	1.4
249.11246	24.4
250.09784	1.5
251.07088	1.0
253.08565	1.1
253.12218	1.4
254.09306	1.0
255.10199	2.2
262.06271	0.9
263.06979	2.4
263.10852	1.0
265.08554	1.6
265.12308	0.8
266.09265	0.7
267.10056	1.3
269.11688	1.6
270.12500	1.7
275.07065	0.9
277.08499	1.5
278.09219	1.1
279.06818	0.8
279.10245	1.4
281.04422	0.8
281.08701	0.7
281.11795	2.5
283.05960	1.1
291.06570	1.9
291.10123	1.9
293.08063	2.0
293.11667	1.3
294.08960	0.9
295.06317	0.8
295.09683	1.4
305.08163	1.5
306.08871	1.6
307.09592	1.6
308.10678	0.8
309.07651	1.1
309.11127	7.8
311.09256	1.3
311.12775	1.9
321.07568	1.7
323.09116	1.9
325.10730	2.3
327.12241	1.6
333.07468	1.2
335.09213	1.9
337.10669	4.8
338.11493	1.2
339.08789	0.9
339.12283	4.1
341.10168	1.3
349.10718	1.2
351.08514	0.8
353.09982	1.5
355.12012	4.7
356.12485	6.4
357.13287	10.3
367.11957	3.0
369.09711	1.9
369.13666	1.5
385.12854	10.8
386.13321	0.6
403.13699	1.0
450.12042	0.7
523.63135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.2
55.05530	0.4
63.02364	0.5
65.03951	1.1
67.05492	0.6
68.95573	0.4
68.99792	1.8
69.03446	0.7
69.90524	1.8
70.02959	0.4
78.49625	0.4
79.05502	2.2
80.06280	0.5
81.03426	11.8
83.04994	1.6
85.02925	0.9
88.09126	0.4
89.03928	0.5
91.05483	3.7
93.03406	1.0
95.04985	1.8
97.02896	3.6
98.21394	0.8
103.05486	1.2
105.03410	0.9
105.04542	0.4
105.07036	1.5
107.04951	4.0
108.05725	1.7
109.02890	1.3
111.00774	0.5
111.04440	1.2
115.05441	4.3
116.06197	0.5
117.07036	2.1
119.04916	0.9
121.02845	0.8
121.06564	2.2
123.04446	2.4
125.02368	8.1
128.06229	4.2
129.07005	5.8
130.04146	0.5
131.04941	3.5
131.08580	1.3
132.05698	0.7
133.06508	1.5
135.04430	30.1
136.05211	3.0
137.02362	0.7
137.05951	0.8
138.06767	0.7
139.03899	0.8
141.07025	1.3
143.04959	2.2
143.08575	1.4
144.05717	1.8
145.06491	13.3
146.07280	3.3
147.04405	0.7
147.08124	0.8
149.02357	3.1
149.05934	1.0
151.03958	9.7
151.07555	100.0
152.06248	0.9
152.07877	1.2
153.01880	0.5
153.07011	0.8
155.03406	10.2
155.04691	0.5
155.06088	0.8
156.05730	1.0
157.06508	6.6
158.07274	4.4
159.04463	2.8
159.08057	9.2
159.09262	0.8
160.05203	1.6
160.08871	2.3
161.05984	5.8
161.09486	0.4
162.06773	1.0
163.03920	1.8
163.07477	0.6
165.01880	1.0
165.05481	3.3
165.06990	1.6
166.02629	0.8
166.07806	0.6
167.03406	5.6
167.08600	0.5
168.05672	1.0
169.06499	1.2
171.04245	0.6
171.08073	4.5
172.05269	1.0
172.08850	12.1
173.06000	16.1
174.06783	6.9
175.03955	1.4
175.07556	7.0
176.08353	7.6
177.05573	0.6
177.09137	5.2
179.03397	7.3
179.08560	1.3
180.05667	0.6
181.05034	1.1
181.06506	2.9
182.07292	1.0
183.03041	0.6
183.08038	0.9
184.05229	0.6
185.06024	4.8
186.06743	1.3
187.03941	1.1
187.07568	9.1
188.08342	17.6
189.05577	4.7
189.09122	78.7
190.08038	0.5
190.09724	1.7
190.48639	0.4
191.03413	1.7
191.06978	0.6
191.10681	3.8
193.04907	0.5
193.06564	0.7
194.07227	0.6
195.08070	2.9
196.08890	5.3
197.05977	1.3
197.09654	0.6
198.06810	0.6
199.07539	1.2
200.08362	2.8
201.05524	3.1
201.09123	10.3
202.09889	12.0
203.07033	4.8
203.10684	27.5
203.17122	0.5
204.07840	0.6
204.11032	0.5
205.06567	1.0
205.08664	1.2
207.08116	1.0
208.08862	1.5
209.04445	1.4
209.09586	1.2
211.07533	1.6
212.08322	2.6
213.05817	0.5
213.09143	8.4
214.09822	0.8
215.07033	3.5
215.10719	1.5
216.07835	1.7
217.06580	0.6
217.08527	1.1
218.07263	0.8
218.09258	0.9
219.06477	1.1
219.08131	1.9
219.10146	14.8
220.07185	0.5
220.10690	0.5
221.09554	1.4
221.11716	1.2
222.10332	0.8
223.07530	1.2
224.08382	1.4
225.05386	1.2
225.09082	1.7
226.09836	3.1
227.10678	8.9
228.11322	1.0
229.05038	0.5
229.08620	1.0
230.09384	1.3
231.10175	38.3
232.08678	0.5
232.10838	0.6
233.06055	0.8
233.08104	1.9
234.06798	0.6
234.10376	1.1
235.07607	2.3
236.08183	0.7
237.09093	1.0
238.09802	1.2
239.10619	2.7
240.07913	0.5
241.08589	0.7
241.12190	1.3
242.09422	0.4
243.10204	1.0
243.41103	0.4
247.07681	2.0
247.09718	0.5
248.08322	0.8
249.11256	25.1
250.09763	0.8
251.07072	1.2
251.10680	1.7
252.11420	0.9
253.08627	0.7
253.12213	1.1
254.09430	0.6
255.10156	2.3
257.11734	1.2
259.07388	0.7
262.09903	0.7
263.07025	2.3
263.10742	0.8
264.07700	0.7
264.11591	0.6
265.08536	1.4
265.12186	1.1
267.06686	0.7
267.10059	1.2
269.04456	0.6
269.11725	1.4
270.12506	1.3
271.09760	0.7
275.07047	1.2
276.07733	0.8
277.08698	1.2
278.09442	1.4
279.06451	1.2
279.10175	1.4
281.04501	1.0
281.08737	0.5
281.11755	2.1
283.06143	0.5
283.09790	0.8
291.06433	1.4
291.10162	2.0
293.08121	1.6
293.11691	1.3
295.06357	0.6
295.09705	1.3
296.10519	0.6
297.11197	1.1
303.06650	0.7
305.07965	1.1
307.09586	1.0
308.10471	0.7
309.07794	0.8
309.11200	6.9
311.09134	1.1
311.12766	1.7
321.04263	0.5
321.07602	1.9
321.11127	0.6
322.08362	0.7
323.09244	2.3
323.12503	0.5
325.10873	2.0
326.11356	0.5
327.12180	2.0
333.07571	1.3
335.09229	1.4
337.10748	5.7
338.11307	1.0
339.12253	4.4
341.10229	0.6
349.10657	0.6
351.08627	0.9
353.09976	0.6
355.11725	5.1
356.12546	7.2
357.13385	10.5
367.11807	3.7
369.09601	2.2
373.12750	0.9
385.12823	11.3
403.13721	0.9
415.60339	0.5
425.96994	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62820	0.5
54.68567	0.4
55.01881	0.5
57.03438	0.8
57.54097	0.5
59.80193	0.4
59.87168	0.5
68.99776	2.2
69.03436	3.3
69.60851	2.9
73.02925	0.6
79.05491	0.9
81.03442	3.8
82.00706	0.5
85.02907	4.1
87.00827	1.6
91.05479	2.0
95.04985	0.6
97.02925	2.5
98.21514	1.0
99.04465	1.1
100.04894	0.4
103.05428	0.9
105.07049	2.5
107.04982	1.3
109.02892	3.0
110.64323	0.5
111.00832	0.9
117.06988	0.6
118.04125	0.5
121.06507	3.5
127.03932	4.7
129.01888	0.8
131.04967	1.2
133.06497	4.7
134.03697	0.7
135.04437	13.3
135.05389	0.5
135.08046	0.7
137.06024	1.0
139.00285	1.6
140.04648	0.7
145.02782	0.7
145.04974	0.7
145.06502	1.2
147.04424	0.8
147.08083	0.9
149.05984	5.4
157.06491	1.8
159.02922	0.8
161.04636	1.0
161.06000	19.7
167.07053	1.7
175.07512	3.1
176.04716	0.8
177.05502	1.4
185.05923	2.5
187.07591	1.3
189.05498	3.4
191.07045	1.1
192.07793	0.5
193.08592	1.7
197.80310	0.5
201.05437	0.6
203.07071	1.5
207.06526	1.2
213.05577	1.5
214.82872	0.5
217.05011	2.0
231.06621	2.8
245.04533	0.8
269.04456	0.6
271.06085	0.8
285.03848	1.1
287.05530	49.9
288.06033	0.8
299.05511	0.9
300.06174	1.0
301.07150	1.8
302.04285	1.0
313.07040	0.8
315.05014	100.0
316.05643	4.5
317.06580	3.2
341.06891	0.5
353.06570	0.7
475.10904	1.0
507.12930	5.2
525.13983	60.1
526.14264	1.6
567.15137	0.8
655.83655	0.5
687.18518	0.9
689.83649	0.5
704.18750	0.5
720.83765	0.6
773.18921	1.0
795.43231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
57.03412	0.8
58.71571	0.3
61.02917	0.4
64.32525	0.3
67.05488	0.4
68.99793	1.8
69.03429	4.6
71.04976	0.4
71.19469	0.7
73.02912	0.5
79.05468	1.0
81.03419	4.2
82.61800	0.3
85.02458	0.4
85.02913	6.0
87.00842	2.0
91.05477	1.9
91.83315	0.3
95.04922	0.7
97.02889	2.3
99.04403	1.1
103.05438	1.2
105.01826	1.1
105.07038	2.8
107.04929	1.0
109.02891	3.2
111.00761	1.0
115.05431	0.6
118.04135	0.7
119.04929	0.4
121.05814	0.3
121.06525	4.1
121.13620	0.4
123.00784	0.5
127.03938	4.4
129.01863	0.6
130.04051	0.4
131.04892	1.1
132.05681	0.5
133.06490	4.5
134.03598	1.1
135.03412	0.7
135.04425	13.6
135.08058	0.8
137.05940	0.6
139.00272	2.1
145.04950	0.9
145.06448	1.0
147.04385	0.7
149.05989	5.3
151.03790	0.5
157.06497	2.2
159.02888	1.0
159.04124	0.3
160.05276	0.6
161.05991	18.5
163.03909	0.4
163.07510	0.7
167.07057	2.1
169.01291	0.6
171.02933	0.4
175.03928	0.4
175.07582	3.1
176.04663	0.4
177.05429	1.6
181.04889	0.4
185.05971	2.6
187.06055	0.4
187.07547	1.4
189.05495	3.0
191.07043	3.1
192.07585	1.0
193.08653	2.2
201.05444	0.7
203.07027	1.4
207.06471	1.3
213.05495	1.7
217.04944	1.7
226.31473	0.4
231.06612	1.9
241.04813	0.5
244.03517	0.4
245.04482	0.9
269.04468	0.4
272.06775	0.5
285.03970	1.0
286.05154	0.3
287.05515	52.4
288.05905	1.1
299.05502	0.6
300.06290	0.8
301.07013	2.5
302.04187	0.6
313.07101	0.8
315.04993	100.0
316.05649	5.3
317.06628	3.5
353.06589	1.0
360.10168	0.4
441.07208	0.4
475.10449	1.1
495.13046	0.7
507.12952	6.1
525.13959	73.3
526.13989	2.2
567.14862	0.9
687.19275	0.7
773.19238	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.2
55.05274	2.6
55.05521	33.0
57.03196	2.4
57.03446	24.5
59.04763	2.4
59.05009	28.5
61.02926	1.7
65.03942	4.5
67.05513	90.5
69.03419	6.2
69.07079	12.0
70.06594	2.5
70.96191	2.6
70.96550	3.5
71.01350	1.7
71.05006	19.2
79.05073	2.6
79.05503	50.1
81.03429	100.0
81.07061	42.7
81.43256	1.4
83.04993	21.2
83.08172	1.8
83.08638	34.1
85.02901	7.0
85.06544	6.4
87.04479	33.2
91.05496	43.8
93.07056	35.8
95.04982	38.1
95.08618	21.5
97.02914	9.3
97.06554	12.8
97.10197	16.8
99.04452	10.2
101.06013	2.1
103.05434	2.3
105.06405	2.4
105.07046	28.0
107.04971	22.7
107.08614	24.2
109.02876	4.7
109.06490	7.5
109.10171	54.9
111.04462	11.4
111.08105	16.5
115.03899	1.6
115.05471	2.4
116.07092	2.1
117.07023	11.9
119.08594	26.0
121.02893	3.7
121.06541	11.2
121.10161	22.9
123.04435	7.0
123.08083	3.5
123.11722	1.8
125.06033	2.1
125.09634	13.8
128.06226	1.5
129.05539	1.8
129.07021	13.9
131.04974	1.7
131.08569	22.9
133.06479	5.3
133.10143	16.8
135.04472	8.2
135.08078	7.5
135.11716	8.2
137.06010	5.2
137.09604	4.6
139.03911	4.8
141.06960	2.2
142.07770	2.7
143.08569	5.7
145.06538	3.1
145.10176	13.7
147.04430	4.1
147.08093	10.0
147.11711	18.0
147.30382	1.7
149.05927	1.9
149.09637	24.5
151.07587	1.8
153.09155	5.4
153.12758	9.4
155.08542	3.5
155.10664	5.9
157.10173	16.7
159.08014	2.2
159.11687	3.5
161.05969	5.9
161.09554	3.4
163.03931	3.3
163.11214	18.8
165.12788	5.4
167.08464	1.7
167.10632	2.1
169.10101	2.4
173.05916	2.4
173.09618	3.6
173.11824	11.6
173.13103	2.6
175.11198	23.4
181.12227	5.8
183.11725	3.6
185.13301	3.0
187.07761	1.6
187.11237	3.6
187.14606	1.7
189.09241	2.3
189.11256	8.2
189.12756	1.9
191.10699	7.6
193.12280	65.3
194.12486	1.8
197.15436	2.6
199.11516	1.8
199.13301	6.2
201.12737	2.3
203.14362	3.0
205.12245	2.9
207.08078	1.7
209.11736	14.4
211.13309	54.5
213.12689	2.6
217.12343	3.0
217.14337	2.0
219.13867	2.2
223.13232	4.1
225.14864	11.0
227.12798	22.9
229.12170	3.9
229.14362	48.6
231.13808	3.2
235.13272	5.3
241.14386	1.9
243.16026	2.4
245.37061	1.6
247.13300	12.9
249.14859	18.4
251.13087	2.1
253.14307	2.8
257.00095	1.7
259.13107	1.9
259.15555	1.7
267.15945	69.9
273.14737	4.3
275.12970	2.1
277.14346	1.9
283.15524	16.6
289.14374	3.0
295.15314	1.8
301.14365	3.4
309.17221	1.8
315.17920	6.8
321.17035	2.5
333.19269	2.0
337.21652	5.3
347.19858	3.3
355.22800	8.9
357.24173	1.7
365.21161	9.7
373.23798	5.4
383.22162	28.1
387.25266	1.9
397.23517	2.8
401.23349	20.7
415.24875	5.1
419.24231	4.2
421.25919	36.5
433.25793	6.6
447.27274	5.2
457.25818	8.2
459.28033	2.1
463.26532	2.2
475.26990	29.9
489.28091	3.8
493.28131	8.9
507.29633	26.2
525.30719	9.3
529.27704	1.9
547.29266	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	772.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	10.5
55.05516	40.3
55.86438	1.2
57.03444	19.7
59.05009	29.7
61.02902	1.9
65.03944	4.9
67.05512	84.4
69.03430	7.8
69.07066	12.9
70.06570	1.2
70.97591	2.5
71.01331	2.7
71.05001	20.3
79.05502	49.4
79.05968	2.4
80.05849	1.7
81.03428	100.0
81.07064	51.1
83.04990	19.6
83.08627	29.0
85.02915	8.5
85.06557	6.4
87.04478	29.6
91.05491	45.1
93.06478	2.5
93.07054	37.1
95.04979	37.0
95.08617	20.8
97.02898	7.8
97.06542	14.1
97.10184	19.8
99.04475	10.1
99.08121	2.0
103.05451	1.4
105.07041	28.7
107.04963	18.2
107.08607	28.0
109.02898	2.3
109.06539	10.0
109.10168	54.1
111.04459	11.9
111.08101	13.2
115.05476	2.7
116.07111	1.8
117.07045	8.9
119.04933	2.7
119.08590	28.6
121.02874	3.3
121.06530	10.7
121.10158	21.4
123.04449	8.4
123.08076	6.5
123.11672	2.3
125.06039	2.2
125.09641	15.8
128.06219	1.7
129.07018	15.5
130.07761	1.5
131.04897	1.8
131.08586	23.1
131.43062	1.3
133.06485	6.4
133.10164	15.0
135.04431	6.0
135.08037	6.3
135.11708	7.6
137.05984	5.6
137.09642	5.8
139.03885	2.2
141.06963	2.1
142.07799	3.3
143.08611	5.6
145.06503	4.2
145.10146	10.6
147.04437	3.2
147.08055	8.5
147.11691	17.3
149.05994	3.7
149.09648	22.3
151.07530	1.6
151.11229	2.1
153.09155	5.5
153.12756	8.4
155.08594	1.8
155.10629	2.3
157.06569	2.7
157.10139	14.9
159.08066	3.3
159.11713	1.7
161.06026	6.5
161.09592	2.1
163.03944	2.2
163.11188	16.5
165.12781	4.6
167.10724	3.2
169.10141	2.1
171.10252	1.5
171.11674	2.3
173.06033	1.6
173.09644	4.4
173.11769	9.1
173.13136	1.5
175.07654	1.8
175.11191	18.1
181.12215	8.3
183.11743	2.1
185.13347	2.6
187.11218	3.1
189.09486	2.0
189.11243	10.9
189.12805	2.3
191.10698	8.0
193.12260	52.4
195.11757	1.7
195.13699	1.5
197.15388	2.8
199.13271	7.1
201.12668	2.9
203.14348	3.1
205.12280	2.9
209.11736	14.5
211.13306	45.0
211.15289	2.8
213.12787	3.7
217.12296	1.8
217.14355	1.8
219.10269	1.7
219.13933	3.0
221.15417	1.5
223.13327	3.5
225.12843	2.0
225.14857	11.0
227.12810	18.6
229.12122	3.2
229.14345	34.9
231.13884	4.6
235.13327	5.0
237.14969	1.4
241.14311	2.2
247.13248	10.0
249.14899	14.4
251.12791	2.5
253.14395	2.7
259.13126	2.0
259.15570	1.9
263.16473	2.5
267.15952	63.4
270.70026	1.2
271.13226	1.7
273.14847	3.0
275.05429	1.6
275.12915	2.6
277.14182	1.9
283.15445	15.0
301.14420	1.9
309.17087	2.4
315.18097	5.0
319.20624	2.1
321.17206	1.6
337.21609	3.5
347.19864	2.1
355.22482	6.7
365.21103	12.6
373.23761	5.4
383.22214	29.9
385.23746	1.5
401.23322	22.2
403.24710	1.6
409.25848	1.7
415.24860	5.8
419.24484	2.6
421.25946	28.6
433.26093	9.2
447.27463	3.8
457.25787	10.0
459.27441	1.8
463.27072	2.5
475.26993	26.0
489.28555	3.7
493.28131	10.0
505.28400	2.1
507.29611	25.1
517.27740	2.4
525.30743	12.5
529.28186	1.9
547.28973	1.8
609.62653	1.5
651.33923	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98119	1.1
55.05526	7.2
57.03438	3.3
57.07079	2.1
61.02933	12.6
64.59258	1.0
67.05511	18.6
69.03438	6.2
69.07074	7.0
69.26481	4.4
69.26909	6.0
73.02919	7.4
79.05501	10.7
81.03432	3.0
81.07068	17.7
83.08615	5.4
85.02924	10.0
85.06512	1.5
91.03957	5.6
91.05493	12.0
93.07043	11.3
95.04990	1.6
95.08620	14.4
96.53793	1.3
97.02898	8.5
97.06579	1.5
97.10194	2.8
101.02360	2.4
105.07053	11.5
107.08604	7.4
109.10168	6.5
111.08131	1.0
113.61919	1.5
116.07143	1.3
117.07025	7.5
119.08593	9.5
121.10175	5.6
123.11682	1.5
127.03931	1.9
128.06210	1.3
129.07034	7.9
131.08588	9.6
133.10147	7.7
135.11693	3.7
136.47073	1.1
141.06982	3.7
142.07845	1.9
143.08583	9.6
145.10143	8.6
147.11717	4.7
149.09709	1.6
149.13257	1.5
155.08551	8.0
156.09404	1.3
156.72403	1.1
157.10147	9.1
159.11742	7.0
161.13249	2.2
167.08661	2.7
169.10132	10.2
171.11694	8.5
173.13295	4.2
179.08553	1.3
181.10078	5.7
183.11726	11.4
185.13249	5.9
187.14845	2.7
193.10049	1.7
194.11159	1.2
195.11711	7.4
197.13303	7.8
199.14812	4.2
201.16516	1.2
207.11746	2.4
209.13266	4.4
211.14853	4.5
213.16428	2.8
215.17964	1.3
221.13312	2.9
223.14854	3.9
225.16473	3.6
227.18159	1.6
233.12927	1.2
235.14896	2.5
237.16457	3.4
239.18048	2.4
241.19432	1.3
249.16408	1.4
253.19467	1.5
263.17938	1.2
265.19568	2.0
333.01355	1.3
349.25165	1.2
351.26947	1.5
362.28223	1.1
515.36920	1.3
517.40619	6.3
535.41339	3.4
539.37891	1.6
541.39319	1.6
591.44299	7.4
609.45227	100.0
610.45270	3.7
753.48840	2.0
771.50653	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
55.05518	9.6
57.03437	5.1
57.07067	2.4
61.02933	10.4
65.03937	2.1
67.05511	20.6
67.05820	0.7
69.03434	5.8
69.07072	8.6
69.68182	0.8
71.04976	1.2
73.02924	6.9
77.03923	1.0
79.05502	15.3
81.03416	5.2
81.07065	21.6
83.04976	1.7
83.08627	4.3
85.02920	11.1
85.06592	1.0
91.03952	6.2
91.05493	13.8
93.07052	16.2
95.04983	2.3
95.08618	17.3
97.02909	11.4
97.06509	2.0
97.10187	1.4
99.04434	1.3
101.02418	2.1
103.05503	1.1
105.07040	14.7
107.08600	13.5
109.02889	1.6
109.06561	1.4
109.10163	7.6
111.08106	1.2
115.05566	1.1
117.07028	8.4
119.08591	12.4
121.06503	2.2
121.10173	5.2
123.08047	1.2
123.11691	2.2
127.03944	2.9
128.06190	1.7
129.07024	8.3
131.08578	13.1
133.10153	9.7
135.11687	4.1
141.07004	4.1
142.07791	2.0
143.08571	9.2
145.10114	12.1
147.11736	4.9
149.13274	2.0
153.06985	1.9
155.08554	8.0
157.10162	10.4
158.10829	1.0
159.11684	9.0
161.13258	2.9
166.07738	1.3
167.08595	4.4
168.09308	1.4
169.10159	10.3
171.11719	8.4
173.13293	6.0
179.08578	2.4
181.10130	5.2
183.11697	10.3
185.13298	8.2
187.14809	1.9
193.10193	2.3
195.11646	6.0
197.13329	7.9
199.14899	5.2
201.16431	1.9
207.11775	2.0
209.13214	5.8
211.14848	4.8
213.16393	2.9
215.17993	1.5
219.11636	2.1
221.13280	2.8
223.14883	3.9
225.16437	4.0
227.17903	2.7
235.14781	2.7
237.16510	2.9
239.18063	2.8
249.16348	1.4
251.18015	2.1
257.18991	1.4
321.21884	1.1
335.27078	1.1
351.26971	1.6
407.29764	1.1
445.05585	1.1
447.32480	1.3
499.39746	1.2
501.35901	1.3
515.38757	1.1
517.40430	7.7
535.41376	3.2
539.37683	1.4
573.42651	1.2
591.44006	6.9
607.43237	2.9
609.45172	100.0
610.45441	4.8
621.44824	1.8
717.47156	1.8
735.48456	1.3
753.49365	1.6
771.50378	27.1
772.51611	1.1
782.77039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45257	2.5
67.05489	7.9
69.07064	2.5
70.06562	2.9
70.36820	6.3
70.37228	4.8
79.05488	6.8
81.03423	11.8
81.07043	4.2
85.02892	3.1
89.52540	2.4
91.05469	8.4
93.07043	5.2
95.04981	4.5
95.08586	2.3
97.06542	2.3
103.05467	4.3
105.07047	5.8
107.04939	7.0
107.08609	3.0
109.06559	2.9
109.10094	3.1
111.39091	2.3
115.05439	12.0
117.07021	7.7
119.60414	2.9
123.04440	3.5
128.06215	2.5
129.07019	7.1
131.04889	3.9
131.08592	2.7
135.04419	52.8
136.05183	4.5
137.06046	2.6
139.07555	3.3
143.04915	13.7
144.05656	3.0
145.06500	17.2
145.07460	2.9
147.08127	2.3
149.02319	4.5
151.03908	7.3
151.07544	73.6
151.12950	2.5
157.06480	7.9
158.07274	7.9
159.04414	6.7
159.08044	5.0
159.11569	2.3
160.05281	4.1
161.05986	5.3
165.05486	49.2
172.08832	2.9
173.06001	53.7
174.06784	27.3
175.07553	8.5
177.09196	4.7
185.05984	17.1
186.06773	3.2
187.07565	6.8
188.04669	8.1
188.08226	4.8
189.09132	81.8
191.06992	4.5
193.06642	2.7
195.06393	2.8
201.09135	35.5
203.07045	100.0
203.10686	8.5
215.07027	37.0
215.08885	3.6
217.08554	4.9
219.10164	14.9
231.10210	8.8
233.08121	37.8
245.08142	4.7
249.08980	2.7
249.11163	6.8
252.07593	3.0
253.05066	2.3
261.09314	2.4
262.09735	2.8
263.09061	14.6
269.07901	2.9
282.08875	7.3
283.09698	6.3
291.10214	2.9
292.11026	5.2
297.07626	4.9
303.10138	2.9
304.10965	3.9
308.10385	3.1
312.09979	21.5
313.10620	6.4
319.09799	4.7
323.12704	3.0
334.11951	4.3
335.12714	15.5
353.13782	15.8
365.13882	23.0
369.09619	5.4
383.14914	8.9
771.38110	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	768.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81582	1.2
55.05519	20.9
57.03246	1.1
57.03450	10.4
57.07084	6.8
59.50148	1.5
60.05670	1.6
60.08160	4.8
61.02951	3.0
67.05512	44.7
69.03445	1.9
69.07075	32.2
71.04974	1.9
71.08635	3.8
71.15678	1.1
79.05498	21.7
81.06587	2.7
81.07063	49.3
83.08624	16.4
85.02923	1.6
85.06552	1.8
85.10172	1.7
86.09715	7.0
91.05493	10.6
93.07054	31.8
95.04998	1.3
95.08616	39.2
97.06514	4.5
97.10187	8.9
105.07034	8.6
107.08602	20.8
109.09473	1.5
109.10167	17.6
111.08087	1.9
111.11669	4.1
117.06994	2.3
119.08634	6.2
121.10165	20.0
123.11696	7.9
125.00021	4.9
131.08507	7.2
133.10153	6.2
135.11700	16.4
137.13252	3.7
145.10139	4.8
147.11678	3.7
149.13289	8.9
159.11719	2.3
161.13251	3.7
163.14821	5.3
173.13263	4.2
175.14845	1.4
177.16336	1.4
184.07352	24.7
187.14803	1.9
219.21049	2.4
233.22739	1.8
237.22235	3.2
243.21075	7.3
261.22174	22.3
305.26822	1.3
311.25836	100.0
317.24792	4.2
322.22836	1.5
335.25824	65.5
335.29895	3.1
336.26022	2.2
337.27203	1.4
425.80515	1.3
515.43933	1.7
571.47272	33.7
572.47614	2.0
589.48102	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	768.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	5.4
57.03453	3.0
63.34148	2.6
67.05518	17.4
69.07075	5.1
71.08618	4.0
72.08130	2.8
72.57204	2.4
79.05502	17.3
81.03439	8.3
81.07075	15.6
82.03769	2.4
83.08631	5.6
91.05497	7.4
93.07039	15.8
95.04982	4.9
95.08623	20.9
97.02897	2.8
103.07637	2.5
105.07030	5.7
107.05006	2.7
107.08606	11.8
109.10171	5.9
116.07072	2.4
119.08581	5.6
121.10160	8.9
133.10175	4.2
135.11717	17.6
145.10139	9.4
163.11243	23.5
181.12323	6.1
227.12810	59.1
261.22205	7.0
267.15948	4.9
283.15436	100.0
283.18570	5.2
313.27435	6.2
335.25842	78.3
543.36932	64.0
544.37103	2.9
742.51355	3.2
768.48187	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	765.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.0
55.05521	6.3
57.07084	4.0
65.03941	0.7
67.05511	10.0
69.03420	0.8
69.07078	21.4
69.59360	4.2
71.08632	1.9
77.03922	1.1
79.05498	7.5
81.03440	4.8
81.07068	37.1
83.05006	0.9
83.08627	5.7
85.10185	0.7
91.05486	3.6
93.07052	6.8
95.04981	2.6
95.08624	19.8
97.10165	2.4
98.21438	0.8
103.05483	2.1
105.03415	0.9
105.04514	1.0
105.07034	4.6
107.04971	0.8
107.08602	7.3
109.06553	0.9
109.10172	17.5
111.11716	1.5
115.05483	5.4
117.07034	4.1
119.08590	4.2
121.06549	1.1
121.10168	5.7
123.08136	0.7
123.11716	8.6
128.06253	2.7
129.06183	0.8
129.07039	10.2
131.04915	5.3
131.08568	2.4
133.10170	3.1
135.04434	100.0
135.11690	4.5
136.04813	2.0
137.05995	7.1
137.13287	8.8
141.06998	0.9
143.04970	3.9
143.08577	1.8
144.05717	0.8
145.06517	7.2
145.10135	1.8
147.04437	1.2
147.08052	0.7
147.11719	3.5
149.02367	7.2
149.06044	3.2
149.13298	3.2
151.03947	2.1
151.07561	10.7
151.14824	1.2
153.07030	0.8
155.08556	1.8
156.05765	0.7
157.06516	12.6
157.10129	0.9
158.07300	1.0
159.04448	1.9
159.08109	3.3
159.11671	1.2
161.06024	5.1
161.09610	0.9
161.13274	1.7
163.07588	1.6
163.14836	1.8
165.05518	1.6
165.07054	0.7
165.09117	1.4
165.65016	0.6
167.08563	1.3
169.06534	1.4
169.10155	1.0
170.07120	0.6
171.08122	3.0
171.11661	0.9
173.06010	31.3
173.09665	1.9
173.13266	0.7
175.07539	7.1
175.14864	1.5
176.08372	0.5
177.05475	1.2
177.09094	3.6
177.16393	0.9
181.06474	1.1
181.10110	0.6
183.08076	1.5
185.05998	8.9
185.09653	1.6
186.06781	3.5
187.07565	13.6
187.11140	0.8
188.08333	0.7
188.55673	0.6
189.05537	0.7
189.09123	9.7
189.16406	1.4
191.07053	0.9
191.10703	5.0
191.18004	1.1
195.08113	2.1
197.05981	2.1
197.09692	1.9
199.07623	2.6
199.11287	1.5
201.05540	0.8
201.09138	6.4
202.09888	0.7
203.07057	17.6
203.09044	0.9
203.10660	5.4
203.17915	1.3
205.08604	1.7
205.12250	1.7
205.19603	1.1
209.09723	1.4
211.11113	0.9
213.09224	2.0
215.07085	12.8
215.10649	4.9
217.08662	2.3
217.12206	5.0
217.19576	1.4
219.10190	1.4
219.55414	0.7
221.09589	0.7
222.59921	0.6
223.11295	0.7
225.09158	1.0
227.10681	3.0
228.11337	0.7
229.08566	0.8
229.12296	2.2
231.10246	0.9
231.13866	1.6
233.08128	7.9
239.10707	1.6
241.12262	1.5
243.13879	1.4
245.15387	1.4
253.12381	1.5
257.15372	1.3
267.13681	1.2
267.16235	1.0
269.15454	1.8
271.16959	2.5
271.24179	0.7
273.18558	6.2
273.25775	1.3
279.13840	1.0
281.15408	0.9
283.16867	1.5
285.18512	5.8
287.20081	1.9
297.18280	0.9
299.20084	1.1
307.16965	0.7
311.19836	1.0
313.21539	1.0
313.27444	2.1
319.09647	1.0
321.11359	1.2
325.21704	1.2
327.23245	1.6
333.11298	0.9
337.21735	0.8
339.30600	0.6
351.12570	1.1
353.21149	0.8
353.24893	0.9
355.12061	1.1
365.21249	1.4
369.13354	2.0
369.20840	1.0
407.29565	1.6
409.30881	4.0
409.38913	0.7
449.34473	1.1
451.35757	0.9
475.24994	0.7
487.24789	1.5
493.25870	2.4
503.24179	0.8
505.26111	2.7
505.38812	2.7
517.40106	1.3
545.43292	0.7
611.37775	0.7
625.46106	0.9
629.38434	4.7
641.37836	1.1
683.42987	1.4
747.49664	4.3
765.51202	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	765.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62749	0.3
55.05510	0.9
57.03444	1.7
61.02937	5.1
67.05515	4.9
69.03436	3.1
69.07065	1.6
71.01369	0.7
71.05008	0.9
71.52133	0.6
73.02924	3.7
79.05505	4.1
81.03428	2.7
81.07062	4.8
83.04981	0.5
83.08618	0.6
87.04491	0.6
91.03964	3.7
91.05492	2.4
93.07057	4.1
95.04989	0.7
95.08619	3.2
97.02908	4.6
99.04491	0.9
101.02374	1.9
102.80827	0.4
103.03953	0.5
105.07069	1.6
107.08627	2.0
109.02921	0.8
109.06512	0.8
109.10180	1.1
117.07095	0.5
119.08630	1.3
121.10178	2.3
123.08051	0.4
123.11803	0.5
127.04003	1.3
129.07085	0.6
131.08595	1.3
133.10138	0.7
135.11765	0.5
137.05977	0.6
139.11261	0.6
145.05025	0.5
147.11758	0.6
149.09669	0.8
149.39290	0.4
157.10205	1.2
163.06096	0.4
167.10794	0.4
175.11238	0.6
184.07344	1.1
185.04222	0.9
193.12367	0.7
225.10953	0.9
243.08456	2.8
251.12732	0.7
269.13736	2.2
325.16394	0.6
335.25833	0.7
344.54062	0.4
371.16684	0.5
420.84595	0.5
443.18979	5.4
469.20673	2.3
487.21600	4.2
519.29382	8.8
519.37170	0.6
522.35364	0.4
710.66473	0.5
721.41571	2.3
747.42529	1.6
765.44012	100.0
766.44250	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	764.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.4
59.65040	1.6
65.03928	1.5
67.05492	1.4
69.66116	7.0
79.05509	1.4
79.77595	1.4
80.58617	1.4
81.03409	2.7
86.09709	2.2
91.05461	2.7
95.04956	1.5
96.12560	1.4
96.93835	1.5
103.05473	2.6
105.07064	1.5
107.04961	1.9
115.05444	3.1
117.07053	2.3
119.05013	1.7
121.06523	1.7
122.03639	2.6
123.04405	2.8
125.00008	2.0
128.06226	4.1
129.07007	6.1
131.04906	4.8
135.04407	4.1
137.05991	38.7
143.04964	2.5
143.08531	2.0
144.05652	1.8
145.06505	18.7
146.07263	4.9
147.04416	2.9
147.08055	2.7
151.03943	4.2
151.07574	21.2
157.06470	6.8
158.07288	5.2
159.04541	1.6
159.08093	12.9
160.05212	4.0
160.08794	4.3
161.06029	7.3
162.06769	3.4
163.03928	3.1
163.07498	1.5
167.03401	1.6
171.08018	3.3
172.08870	16.1
173.05980	10.3
174.06773	9.2
175.03938	3.1
175.07547	13.2
176.08331	4.8
177.09076	7.1
182.07323	3.6
184.07329	4.2
185.06049	2.0
187.07564	11.4
188.08334	23.8
189.09120	100.0
190.09666	2.6
191.03397	3.4
191.10680	6.5
193.05077	2.0
195.07980	2.5
196.08885	1.7
199.07510	3.2
200.08327	2.8
201.05598	2.6
201.09123	16.2
202.09912	11.6
203.08867	2.9
203.10695	37.2
205.08591	3.6
213.09129	9.2
215.10704	3.6
217.08664	2.6
218.07246	1.5
219.08189	3.3
219.10175	12.7
223.07655	1.5
224.08337	1.6
225.09047	2.9
227.06943	1.5
227.10631	2.5
229.08630	1.6
231.08157	2.0
231.10167	38.5
235.07545	3.4
236.08224	1.6
239.06870	1.4
239.10638	4.1
241.08551	3.1
247.07571	2.0
249.11249	57.2
251.10699	1.9
253.08580	2.3
255.10072	2.1
263.07117	3.0
263.10709	4.0
264.07867	1.8
265.08447	3.1
267.10220	2.6
277.08527	4.0
279.10202	5.2
281.08029	1.7
281.11765	1.8
289.08563	2.9
291.10052	2.8
293.08194	1.4
293.11569	2.8
295.09732	2.7
303.09909	2.0
305.91071	1.4
307.09601	6.8
309.07706	1.6
309.11282	3.9
319.09659	2.4
321.11249	4.7
337.10733	5.5
339.12402	2.4
351.12320	6.5
354.69492	1.6
368.12503	5.3
369.13263	7.9
459.14874	1.7
459.72476	1.5
605.20929	1.8
615.20142	1.8
633.21039	11.6
635.22821	2.1
645.21356	2.5
651.22083	1.7
663.21869	9.1
681.23273	8.4
693.22638	3.4
711.24323	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	762.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.5
62.60141	0.8
62.97262	0.9
70.77499	2.7
79.05491	3.2
81.03423	2.6
90.63246	0.9
91.05496	2.3
95.04964	1.1
103.05444	1.7
105.07019	1.6
107.04930	1.8
115.05462	3.6
116.06290	1.4
117.07038	3.7
118.07240	1.0
121.06532	1.1
123.04449	2.9
128.06215	4.6
129.07001	6.7
131.04948	4.9
132.05797	1.1
133.02896	1.0
135.04434	49.6
136.05255	0.9
137.02420	1.7
138.06763	1.0
141.07018	2.2
143.04930	3.8
143.08553	1.4
144.05746	1.1
145.06503	17.6
146.07300	4.9
147.04424	1.7
147.08051	1.4
149.02374	3.7
149.06013	1.1
151.03940	2.4
151.07573	22.6
151.08795	1.2
155.06050	1.3
157.06520	7.6
158.07278	6.2
159.04446	2.6
159.08076	16.7
160.05223	2.0
160.08844	4.7
161.06001	6.9
162.06813	2.6
163.03929	2.6
165.01831	2.5
165.06956	0.8
169.06425	1.1
171.08138	2.9
172.05147	1.1
172.08839	19.1
173.06010	17.3
173.09293	1.2
174.06808	7.2
175.03938	4.9
175.07545	10.5
176.08350	9.3
177.09116	10.8
178.02631	1.2
179.07054	3.4
181.06514	1.6
182.07300	1.8
183.08156	1.4
185.06013	4.8
186.06958	1.4
187.07574	14.0
188.08340	19.7
189.09126	100.0
190.09749	2.6
191.03395	5.1
191.10712	7.1
192.04192	2.3
193.04974	3.5
195.08109	2.2
196.08847	1.8
197.06049	1.9
198.06682	1.4
199.07561	2.2
200.08418	2.7
201.09126	18.2
202.09906	14.0
203.07161	4.5
203.10681	46.3
205.06599	1.7
205.08482	1.2
207.08131	1.0
208.08794	1.1
209.06064	1.2
212.08437	1.7
213.09108	10.2
214.09895	1.1
215.10658	4.4
216.07932	1.3
217.08661	2.2
219.08102	3.0
219.10210	13.6
221.09695	1.7
221.11571	1.7
224.08351	2.2
225.05562	1.0
225.09016	1.4
227.10701	2.6
231.08134	2.0
231.10181	39.3
232.08771	1.4
233.08041	1.1
234.10626	1.3
235.07605	4.1
236.08330	2.0
237.09099	1.4
239.10786	4.0
241.08627	2.0
247.07597	2.2
248.08408	2.5
249.11252	67.3
251.07071	1.7
251.10661	3.2
253.05003	1.7
253.08669	3.0
253.12276	1.6
255.06499	1.4
255.10123	1.9
262.09857	1.8
263.07034	3.4
263.10779	3.5
264.11520	1.3
265.08569	2.3
267.06680	1.3
267.10217	4.6
269.08267	1.0
275.07077	1.7
276.07813	1.6
277.08649	3.0
278.09497	1.9
279.07300	0.9
279.10220	6.3
281.08206	1.6
289.08643	3.1
290.09363	2.3
291.06894	2.0
291.10217	5.1
292.11035	0.9
293.08136	3.0
293.11780	2.4
294.08923	1.0
295.09613	2.8
303.10089	1.1
305.08176	3.0
306.08920	1.5
307.09622	7.9
308.10440	1.9
309.11212	3.8
319.09647	3.8
320.10464	3.8
321.07587	1.5
321.11139	8.2
323.09119	2.4
323.12775	1.3
325.10645	2.2
333.11530	1.8
335.09299	1.8
337.10779	8.4
338.11285	1.3
339.12335	1.4
349.10782	2.7
350.11505	2.7
351.12332	10.9
353.10098	2.5
367.11728	3.1
368.12570	8.2
369.13348	12.3
392.47122	1.2
399.99332	1.0
469.12762	1.0
485.12045	1.5
527.17279	1.0
589.16876	1.3
599.17096	1.7
603.19861	3.3
607.18481	1.2
613.18628	2.6
615.19855	1.5
631.19690	15.1
633.20923	1.8
643.19305	2.5
649.20258	3.7
661.20966	8.6
673.20715	1.2
679.21783	15.5
691.21539	3.1
697.22192	1.1
709.22870	7.5
727.23114	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	5.4
65.03966	1.3
67.05491	1.0
69.73305	4.0
79.05479	3.2
81.03411	3.2
81.07046	1.1
83.05009	1.5
91.05487	2.3
95.04971	1.0
103.05468	3.5
105.03371	1.1
107.05001	2.1
111.04428	1.1
115.05447	5.5
117.07027	3.2
119.05029	1.2
121.06503	1.6
123.04449	3.2
125.02363	1.1
128.06224	4.8
129.07014	6.8
131.04961	6.4
131.08588	1.6
132.05733	0.9
135.04428	57.4
137.02335	2.3
137.06024	1.8
138.06693	0.9
141.07008	2.6
143.04939	2.8
143.08553	1.5
144.05666	2.0
145.05376	1.8
145.06499	19.7
146.07266	3.8
147.04434	1.4
147.08078	1.8
149.02361	3.8
149.05925	1.7
151.03925	1.9
151.07545	18.4
151.95673	0.9
152.61691	0.9
153.06943	1.3
156.05684	2.2
157.06503	11.4
158.07283	6.6
159.04443	2.7
159.08070	12.0
160.05183	1.4
160.08858	2.9
161.05995	6.9
162.06749	2.6
163.03941	2.6
165.01830	1.1
169.06432	1.3
171.08051	2.5
172.08858	14.8
173.05994	16.5
174.06792	7.8
175.03912	2.7
175.07593	7.9
176.08319	5.1
177.09102	9.4
179.07043	2.5
182.07280	1.7
183.08148	2.0
184.08846	1.8
185.05992	7.7
186.06738	1.1
187.07573	12.6
188.08350	20.4
189.09119	100.0
190.09653	2.0
191.03427	2.7
191.08800	0.9
191.10667	4.8
193.05005	2.8
195.08110	1.9
196.08856	1.6
197.09543	0.9
197.76118	1.0
198.06815	1.7
199.07576	1.9
200.08313	3.6
201.05470	1.8
201.09117	25.5
202.09869	11.1
203.07170	4.7
203.10680	40.7
205.06531	1.1
205.08525	1.2
207.08038	2.5
208.08812	1.1
209.09650	1.0
211.07565	2.2
212.08397	1.8
213.09117	9.7
215.07005	1.9
215.10672	4.3
216.07942	1.6
217.08589	2.5
218.07202	1.0
219.08078	3.2
219.10207	9.6
221.09735	1.9
221.11714	2.0
223.07539	2.7
224.08380	2.3
225.05609	1.3
225.09009	2.3
226.09821	1.2
227.10675	2.7
229.04941	1.4
229.08495	1.0
231.08185	2.0
231.10168	36.6
232.08757	1.4
235.07568	2.4
237.09175	1.2
238.09840	1.4
239.06956	1.0
239.10712	5.0
241.08636	7.6
247.07492	3.8
247.09862	1.8
248.08237	1.9
249.11252	46.4
250.09749	1.5
251.06914	1.7
251.10779	2.2
252.11453	0.9
253.04906	2.4
253.08549	2.5
253.12234	1.7
255.10201	2.4
259.07623	1.0
261.09100	1.7
261.22131	1.2
262.09854	1.2
263.07098	1.8
263.10684	3.4
265.08655	1.2
267.06644	1.8
267.10196	4.0
269.08212	1.0
275.07086	2.1
275.10629	1.3
276.07681	1.4
277.08545	3.4
278.09354	2.3
279.07175	1.0
279.10153	5.4
281.08014	1.3
281.11801	2.0
289.08533	3.3
290.09030	1.1
291.06989	1.1
291.10150	4.4
293.08060	4.3
293.11780	3.1
295.09637	2.5
297.07761	1.1
303.10138	1.8
305.08115	3.0
307.09601	5.2
308.10318	1.9
309.11182	3.7
319.09641	2.5
320.10461	3.6
321.11282	6.4
323.09326	2.3
325.10806	1.7
333.11130	2.0
337.10797	4.7
338.11655	2.1
339.12378	3.0
349.10733	2.1
350.11450	1.4
351.12454	5.5
353.10144	2.7
355.11832	2.6
367.11655	3.0
368.12469	3.8
369.13474	6.4
412.58615	1.1
503.12985	1.9
594.13983	1.0
599.16595	1.2
603.20050	2.2
613.18127	2.9
615.19885	2.2
631.19489	8.9
633.20667	2.4
643.19794	2.3
649.20636	4.7
661.20508	5.9
663.21857	1.5
679.22064	11.8
691.21393	2.5
697.22949	1.3
709.22955	9.5
727.23450	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	761.393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
54.46650	0.3
55.01876	0.8
55.05517	0.7
57.03433	1.4
59.05005	1.0
61.02930	3.1
67.05502	2.4
69.03431	2.3
69.07072	0.6
69.31970	2.9
71.04993	1.8
73.02928	3.1
79.05489	3.2
81.03423	6.4
81.07059	2.7
83.04983	0.7
83.08622	1.3
85.02920	3.8
85.06511	0.4
87.04475	0.9
87.61786	0.4
91.03977	1.8
91.05477	3.6
92.10431	0.4
93.07057	2.6
95.04976	1.8
95.08607	1.8
96.56502	0.3
97.02899	3.7
97.06551	1.3
98.20815	0.9
99.04501	0.7
101.02409	1.6
103.03944	0.7
105.07018	2.3
107.04980	1.2
107.08621	1.2
109.02895	0.8
109.06528	0.9
109.10148	0.5
111.04462	0.8
111.08102	0.5
113.00893	0.4
115.05486	0.4
119.08598	1.7
121.06513	0.4
121.10149	2.5
125.02358	0.6
127.03962	1.4
129.07028	2.1
131.04915	0.8
131.08586	1.9
133.10155	1.9
136.05199	0.4
137.05978	7.0
142.07851	0.3
145.06569	0.9
145.10143	0.5
146.07210	0.5
147.11725	1.3
149.09633	2.5
151.07553	12.8
153.05492	0.5
155.03479	0.5
157.06494	0.8
157.10170	1.2
159.04424	0.5
159.08096	0.5
160.05330	0.6
161.05986	0.4
165.12877	0.6
172.05270	0.7
173.06049	0.7
174.06775	1.7
175.07552	5.1
175.11263	1.5
176.08347	0.4
177.09146	0.5
187.07564	6.8
188.08360	1.1
189.09125	5.8
193.12265	2.6
196.08905	0.8
197.15494	0.6
201.09148	1.3
202.09854	0.6
203.08884	0.7
203.10773	1.8
211.13353	0.4
213.09100	0.4
217.08658	1.5
219.08173	0.5
219.10146	1.0
225.14900	0.8
227.07124	0.4
227.10721	0.5
231.08191	0.8
231.10283	2.2
243.08455	2.6
247.07468	0.4
248.08218	0.4
249.11313	2.0
263.10724	0.8
265.08646	0.4
267.16049	1.7
279.10184	1.5
283.15186	7.4
285.56873	0.4
291.10275	1.4
296.10593	0.5
309.11118	0.9
311.12909	2.2
323.12759	2.1
324.96213	0.4
339.17737	2.3
341.13831	3.5
385.13004	0.5
441.21213	0.6
469.20316	1.0
501.23102	31.8
502.23734	0.9
581.32703	0.5
599.34259	0.9
657.30719	0.6
729.37439	0.5
761.39313	100.0
762.39557	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	761.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01878	2.4
59.49537	0.3
61.03534	0.3
65.03937	0.8
67.05500	0.8
68.99811	0.9
69.03418	0.5
69.16859	0.3
69.79999	0.7
69.80408	1.4
77.95474	0.4
79.05506	1.3
80.06283	0.5
81.03426	11.0
83.04992	1.3
90.36449	0.4
91.05486	2.6
92.77827	0.3
93.03405	0.6
93.07063	0.6
94.04174	0.4
95.04957	1.1
97.02914	2.7
98.20822	0.5
99.08795	0.5
103.05495	0.5
105.03414	0.8
105.07053	1.5
107.04975	3.2
108.05758	1.6
109.02887	0.7
111.04453	0.9
115.05460	2.0
117.07025	1.9
119.08574	0.4
121.02921	0.5
121.06525	1.7
122.03658	1.0
123.04411	0.7
125.02368	6.3
128.06232	1.6
129.07014	2.0
131.04929	1.8
131.08577	0.6
133.06509	1.4
135.04422	2.8
136.05212	2.3
137.02306	0.4
137.05991	12.6
138.06741	0.6
139.03883	0.6
141.06995	0.8
142.07690	0.4
143.04945	1.1
143.08563	1.1
144.05716	1.1
145.05397	0.7
145.06499	9.1
146.07281	2.1
147.08089	0.9
149.02307	0.5
151.04031	3.7
151.07559	100.0
152.06264	0.6
152.07904	1.1
153.07014	0.7
155.03403	5.9
156.05696	0.7
157.06520	3.3
158.07278	3.3
159.04430	0.9
159.08069	5.4
160.04012	0.4
160.05205	1.9
160.08804	1.6
161.05977	2.8
162.06810	1.1
163.04025	0.6
163.07570	0.5
165.01880	0.4
165.05484	1.3
165.06918	0.7
167.03441	1.8
167.08572	0.5
169.06450	0.8
171.08069	3.8
172.08842	8.4
173.06023	4.1
173.09598	0.6
174.06781	6.7
175.03929	1.0
175.07573	6.7
176.08371	3.9
177.09093	3.7
179.03358	0.7
179.08572	0.4
180.05725	0.7
181.05096	0.6
181.06429	2.2
182.07253	1.2
183.08073	1.9
184.08940	0.5
185.06001	0.7
187.07564	6.9
188.08344	12.3
189.09125	53.8
190.07819	0.6
190.09698	0.5
191.03435	0.5
191.06998	0.6
191.08720	0.7
191.10666	2.8
194.07245	0.8
195.08078	1.6
196.08861	6.6
197.09544	0.7
198.06688	0.5
199.04082	0.3
199.07555	1.1
200.08359	1.7
201.05460	0.7
201.09131	8.7
202.09894	7.4
203.07002	0.7
203.08890	0.6
203.10684	17.1
204.07672	0.4
205.08638	1.5
207.08026	0.7
208.08879	0.8
209.04420	0.5
209.09657	0.9
211.07559	1.3
212.08403	2.8
213.09137	6.3
214.09840	0.5
215.06963	0.6
215.10719	1.3
216.07977	2.1
217.08580	0.5
219.08238	0.8
219.10179	15.8
221.11662	0.6
222.10359	0.8
223.07581	0.4
224.08339	0.6
225.09148	1.0
226.09903	3.2
227.10680	8.3
228.11469	0.4
229.08655	0.6
230.09351	0.3
231.10184	27.4
232.08701	0.5
232.10741	0.6
234.10376	1.2
235.07646	0.9
236.08330	0.6
237.09085	0.6
238.09882	1.2
239.07057	0.5
239.10678	2.4
241.08687	0.4
241.12253	1.4
243.10257	0.9
246.06546	0.4
247.07532	0.8
247.09729	0.5
248.08405	0.6
249.09171	0.8
249.11269	14.8
250.09929	1.0
251.07007	0.6
251.10637	1.1
252.11513	0.4
253.12280	0.8
255.10172	1.1
263.07077	0.4
263.10696	1.5
264.07877	0.4
265.08731	0.4
265.12265	1.4
267.10080	1.1
269.11725	1.4
270.12283	1.7
277.08527	0.6
278.09454	1.1
279.10056	0.8
281.11740	2.0
283.09818	0.6
283.13040	0.4
291.10208	1.1
293.08514	0.4
293.11765	1.2
294.08951	0.5
295.09698	0.8
297.11368	0.4
299.09338	0.4
299.12796	1.0
307.09589	0.7
308.10342	0.5
309.11200	5.0
311.12823	1.4
323.12796	0.5
325.10657	1.2
327.12396	1.8
337.10764	2.9
339.12183	1.5
341.13901	0.6
355.11823	3.1
357.13336	9.6
367.11719	1.1
373.12799	0.6
385.12854	7.4
637.30286	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01877	4.2
59.76381	0.5
65.03946	1.1
67.05506	1.4
69.03426	1.0
69.24545	2.0
69.24968	2.7
75.04477	0.5
77.03918	0.6
79.05499	2.2
81.03425	9.0
81.07071	0.7
83.04978	1.2
85.02895	0.8
89.03973	0.6
91.05475	3.8
93.07067	1.5
94.04175	1.1
95.04980	1.9
97.02889	3.1
98.21458	1.2
103.05470	1.3
105.03413	1.4
105.07030	1.1
107.04951	4.4
108.05750	1.7
109.02897	1.7
109.06529	1.2
111.04443	1.2
115.05446	4.4
117.07021	2.8
119.04947	1.2
119.08551	0.7
121.06526	3.9
122.03655	2.4
123.04438	10.8
125.02375	5.6
125.06033	0.9
128.06236	3.4
129.07004	6.0
131.04961	4.5
131.08578	1.6
132.05693	0.8
133.02864	0.9
133.06487	1.7
135.04442	4.9
136.05209	3.8
137.02364	2.0
137.05988	45.2
138.06418	1.1
139.07549	1.1
141.07008	2.3
143.04959	1.8
143.08571	1.8
144.05725	4.0
145.06491	17.3
146.03596	0.6
146.07310	4.5
147.04405	1.7
147.08023	1.8
149.02266	0.7
149.05984	1.6
151.04053	3.6
151.07553	89.6
152.07907	0.8
152.92067	0.5
153.05486	1.6
155.03410	7.4
155.06027	0.8
156.05774	1.2
157.06514	9.2
158.07304	7.5
159.04443	3.5
159.08063	11.4
160.05197	5.1
160.08853	4.4
161.06001	6.3
162.06776	1.6
163.03918	2.3
163.07553	1.9
165.01772	0.7
165.05511	7.1
165.06905	1.3
165.09138	0.6
167.03395	1.5
169.06476	1.4
171.08051	5.2
172.05225	3.2
172.08850	16.3
173.06004	10.3
173.09569	0.7
174.06775	11.8
175.03946	2.3
175.07555	28.2
176.08331	7.0
177.05534	0.8
177.09117	9.9
178.02431	0.6
179.07036	2.0
181.06485	2.0
182.07251	1.9
183.08109	1.3
184.08888	1.1
185.05977	2.2
186.06799	1.3
187.07559	40.0
188.08330	19.4
189.09122	100.0
190.09700	1.7
191.03488	2.7
191.07040	1.1
191.08798	1.0
191.10652	6.9
193.04982	1.0
195.08078	2.5
196.08765	3.4
197.06035	1.3
198.06816	1.1
199.07547	3.2
199.34901	0.6
200.08389	2.7
201.05428	1.1
201.09111	16.8
201.11932	0.7
202.07970	1.2
202.09877	11.2
203.06937	1.3
203.08675	2.1
203.10670	34.8
204.07831	1.1
204.11000	0.6
205.06664	1.3
205.08595	3.7
207.08041	1.5
208.08888	1.8
209.05991	0.6
209.09601	0.7
210.06827	1.0
210.10367	0.8
211.07550	2.3
212.08371	1.5
213.09100	7.9
214.09903	0.9
215.07124	1.1
215.10675	3.1
216.07825	1.8
217.08618	8.9
218.07317	0.9
218.09261	1.2
219.08083	4.8
219.10205	18.1
220.08798	1.1
221.09688	1.4
221.11696	1.2
222.10249	0.8
223.07571	1.0
224.08333	1.7
225.09152	2.4
226.09933	2.4
227.07155	0.9
227.10687	4.7
229.08655	1.8
231.08093	2.8
231.10165	33.6
232.08821	1.4
232.10887	0.7
233.06053	0.8
233.09712	1.7
234.06677	0.9
234.10403	1.3
235.07512	1.9
236.08325	1.9
237.09174	1.3
238.09904	1.0
239.07103	0.9
239.10664	3.9
240.07845	1.1
241.08633	3.1
241.12337	1.0
247.07567	3.4
247.09712	1.0
248.08307	3.7
249.09105	1.5
249.11253	33.1
250.09853	1.5
251.10789	4.1
252.07642	0.7
253.08578	2.4
253.12317	1.3
254.09441	1.2
255.06580	1.1
255.10214	2.4
256.07291	0.8
259.07593	1.0
260.08398	1.3
261.09180	1.2
262.09927	1.6
263.07028	1.6
263.10779	5.7
264.07904	1.3
265.08633	2.2
265.12198	1.3
266.09256	0.6
267.06412	0.8
267.10190	2.7
268.07458	1.2
268.10901	0.6
269.08115	1.6
269.11761	1.3
270.08884	2.1
270.12451	0.8
271.09644	3.3
275.07025	0.8
275.10596	0.9
276.07935	2.4
277.08789	2.8
278.09396	1.8
279.10184	7.5
280.10986	1.2
281.08340	1.3
281.11761	2.5
283.09650	2.8
283.13193	0.7
285.11163	0.8
289.08847	0.8
290.09528	1.1
291.06857	0.5
291.10135	11.7
292.10904	1.6
293.08176	2.0
293.11743	2.6
294.08929	0.9
295.09729	1.5
296.10452	2.1
297.11221	2.0
305.11646	1.3
306.08878	0.9
307.09750	3.4
308.10455	1.9
309.11179	6.3
311.12759	10.3
319.09808	1.3
320.10635	1.7
321.11322	4.6
323.09567	0.5
323.12805	12.7
325.10712	1.8
327.12296	0.9
329.13565	1.0
333.10953	0.7
337.10745	4.8
339.12268	2.4
341.13852	21.5
349.10733	1.3
350.11548	0.7
351.12238	2.5
355.11902	2.3
357.13342	5.2
367.11780	2.0
368.12668	2.7
369.13403	3.7
385.12924	4.2
395.55450	0.7
511.16010	5.6
527.16803	0.8
529.19208	0.8
619.22943	0.8
629.21356	1.3
631.23126	0.7
637.21490	0.6
647.23151	4.0
649.24384	0.9
659.22241	0.9
665.23462	1.2
677.23761	3.2
695.24933	3.4
707.24237	0.9
725.25647	1.8
743.26288	1.2
761.28430	5.6
762.29028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.2
53.03954	0.5
55.01880	3.1
55.05526	0.5
56.53316	0.2
65.03941	0.8
66.04742	0.3
66.96647	0.3
67.05500	1.1
68.99801	1.0
69.03437	0.4
76.57500	0.2
77.03970	0.3
77.40907	0.2
79.05485	1.9
81.03426	11.0
81.07063	0.7
83.01357	0.4
83.04986	1.0
85.02910	0.7
91.05489	2.3
93.03405	0.5
93.07063	0.7
94.04206	0.4
95.04989	1.3
97.02910	2.2
98.20638	0.6
103.05489	0.5
105.03401	0.5
105.07037	1.4
106.04176	0.3
107.04969	4.0
108.05761	1.3
109.02888	0.8
109.06520	0.5
111.04462	1.4
115.05463	1.9
116.06293	0.3
117.07018	1.5
119.04906	0.5
121.02869	0.7
121.06522	1.8
122.03666	0.5
122.07333	0.4
123.04446	1.0
125.02365	5.5
125.06016	0.3
128.06244	2.3
129.07014	2.4
131.04939	1.5
131.08575	0.9
132.05717	0.3
133.06509	1.5
135.04439	3.0
136.05223	2.8
137.02382	0.5
137.05980	9.0
138.06773	0.8
141.07027	0.7
143.04942	0.9
143.08528	0.4
144.05714	1.2
145.06494	8.6
146.07253	1.8
147.04411	0.3
147.08063	0.3
149.02373	0.7
149.05986	0.5
151.04042	4.0
151.07555	100.0
152.06171	0.5
152.07947	0.6
153.07037	0.5
155.03403	7.3
156.05673	0.7
157.06506	3.8
158.07280	3.0
159.04448	1.3
159.08072	5.0
160.05202	1.4
160.08865	2.1
161.06015	3.6
161.09639	0.6
162.06799	0.8
163.03929	0.6
163.07523	0.6
165.05489	1.1
165.07001	0.9
166.07887	0.3
167.03349	1.8
168.05803	0.5
169.06505	0.5
171.04353	0.3
171.08057	3.1
172.08847	7.6
172.10338	0.4
173.06009	4.3
173.09573	0.3
174.05229	0.5
174.06776	8.6
175.03922	0.9
175.07564	5.6
176.08336	4.1
177.09116	3.1
179.03474	0.8
179.08565	0.6
181.05066	0.7
181.06523	1.5
182.07335	1.1
183.02928	0.5
183.08083	1.4
184.08763	0.3
185.06013	0.7
186.06743	0.3
187.07574	5.1
188.08342	12.4
188.10045	0.6
189.09123	61.9
190.07852	0.3
190.09648	1.0
191.08791	0.4
191.10669	3.8
193.06453	0.3
195.08078	2.1
196.08846	6.2
197.05952	0.4
197.09656	0.5
198.06767	0.9
199.07588	1.1
199.11243	0.3
200.08366	2.0
200.29802	0.3
201.05392	0.9
201.09119	9.8
202.09903	7.7
203.06996	1.1
203.10687	18.7
204.07878	0.5
204.11021	0.3
205.06702	0.4
205.08670	0.8
207.08101	0.6
208.08827	0.8
209.04346	0.4
209.09601	0.4
210.10565	0.5
211.07574	1.7
212.08289	2.3
213.09125	7.1
214.09805	0.4
215.07130	0.5
215.10658	1.3
216.07857	2.2
217.08652	1.3
218.09456	0.5
219.08191	1.1
219.10167	16.1
220.07178	0.4
221.09755	0.6
221.11734	0.7
222.10280	0.4
223.07550	1.0
224.08359	1.3
225.09073	0.9
226.09908	2.4
227.10693	8.1
228.11267	0.6
229.08606	0.9
231.10184	28.8
232.10760	0.5
233.07762	0.5
233.09778	0.5
234.06770	0.4
234.10445	1.2
235.07544	0.8
236.08215	0.4
237.09218	0.6
238.09952	0.9
239.10654	1.8
240.11511	0.5
241.08560	0.6
241.12305	1.4
242.12962	0.3
243.10220	0.6
246.06703	0.4
247.07529	0.4
247.09698	0.4
248.08247	0.6
249.09116	0.9
249.11261	16.6
250.09897	1.1
251.07126	0.4
251.10629	0.6
252.11522	1.0
253.08621	0.3
253.12294	1.0
254.09285	0.5
255.10158	1.7
257.11771	0.4
261.09094	0.3
262.09961	1.1
263.07059	0.7
263.10654	1.6
265.08859	0.7
265.12186	0.9
266.09326	0.3
267.10153	1.2
269.11746	1.5
270.09088	0.3
270.12415	1.7
271.09653	0.7
275.06909	0.3
277.08759	0.7
278.09375	1.0
279.06375	0.3
279.10193	0.8
280.11014	0.5
281.11646	1.5
283.09732	0.5
283.13062	0.6
291.10123	1.7
293.08475	0.3
293.11713	1.0
294.08926	0.4
295.09671	0.9
297.11185	0.9
299.12814	0.7
307.09631	0.4
309.11221	5.8
311.12891	1.3
319.09628	0.7
321.11496	0.4
323.12851	0.4
325.10849	1.4
327.12250	1.4
337.10699	3.2
337.27429	0.5
339.12286	1.7
341.13925	0.4
349.10522	0.5
355.11783	2.9
356.12466	0.9
357.13373	10.7
358.13513	0.5
367.11575	1.6
373.12778	0.6
385.07971	0.6
385.12839	9.2
403.13803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01881	2.6
55.05506	0.8
57.03453	1.5
59.04999	1.6
61.02929	3.9
67.05505	3.4
69.03448	2.7
69.07084	1.0
70.10300	1.7
70.10699	1.5
71.01372	0.9
71.04997	2.5
73.02930	2.7
75.90666	0.8
79.05511	4.6
81.03428	15.9
81.03869	1.3
81.07082	4.4
83.04993	2.3
83.08638	1.1
85.02924	4.1
85.06569	0.9
87.04499	1.2
91.03965	2.2
91.05486	7.5
92.35703	0.9
93.07047	4.0
94.04207	1.0
95.05000	3.4
95.08635	2.0
97.02895	6.1
97.06551	1.6
98.20758	0.9
99.04491	0.7
101.02401	1.4
103.05484	1.8
105.03449	0.9
105.07072	3.5
107.04983	4.6
107.08604	1.7
108.05765	1.4
109.02883	1.7
109.06552	1.7
109.10184	1.2
111.04460	1.7
111.08118	1.3
115.05489	2.9
117.07065	1.9
119.08617	2.6
121.06550	2.5
121.10172	2.5
122.03696	1.9
123.04470	1.4
125.02370	4.1
125.06058	0.9
127.03902	1.7
128.06274	2.5
129.07028	6.1
131.04980	3.4
131.08545	3.8
133.02934	0.9
133.06520	2.2
133.10143	1.6
135.04468	1.5
136.05244	2.5
137.05994	55.7
138.06688	1.0
143.04849	1.2
143.08627	1.2
144.05785	3.0
145.06503	7.0
146.07333	2.1
147.08124	1.3
147.11687	1.2
149.09688	3.1
151.04021	3.9
151.07561	91.4
152.07899	1.3
153.05516	1.3
155.03395	4.2
157.06516	4.5
157.10149	2.1
158.07278	3.6
159.04498	1.3
159.08069	3.6
160.05223	5.8
160.36430	0.9
161.06015	3.9
162.06862	0.9
163.07492	1.3
165.05521	1.4
165.09192	1.2
171.08121	2.4
172.05179	3.9
172.08878	5.6
173.06010	4.3
174.06792	10.6
175.07567	35.8
176.08401	2.8
177.09102	3.7
179.03317	0.9
181.06567	1.9
182.07413	0.9
183.08177	1.4
186.06883	1.0
187.07561	51.8
188.08313	7.3
189.09128	49.0
191.07085	1.1
191.08708	1.9
191.10753	3.1
193.12332	1.9
195.08044	1.0
196.08846	3.6
199.07675	2.0
200.08354	1.3
201.09100	8.8
202.10007	3.3
203.06987	1.2
203.08659	2.5
203.10649	12.6
205.08528	4.0
209.45403	0.8
211.07611	2.7
212.08429	1.8
213.09122	4.3
215.10800	1.0
216.07881	1.3
217.08656	12.5
219.08115	3.1
219.10117	14.8
221.09618	0.9
225.09132	1.1
225.14885	1.2
226.09903	1.5
227.07059	1.2
227.10664	4.4
229.08795	1.0
231.08104	2.7
231.10165	18.7
233.09718	1.4
235.07661	1.7
236.08226	1.4
236.75734	0.8
237.09270	1.5
239.10834	1.4
240.07964	1.0
241.12427	1.0
242.86940	0.9
243.08510	2.1
247.07576	3.8
247.09915	0.9
248.08357	5.0
249.09055	1.6
249.11272	16.6
251.10805	1.3
252.11386	1.0
253.08647	1.0
255.06587	1.3
259.07501	1.2
260.08337	1.0
261.09198	1.0
263.07397	1.2
263.10837	4.4
264.07825	1.2
265.08658	1.8
267.10275	1.2
267.16074	1.4
268.07361	1.0
269.12354	0.9
270.09021	3.8
270.12543	1.3
271.09735	3.4
276.07895	3.0
277.08743	2.1
279.07303	1.2
279.10193	7.4
281.08228	1.1
281.11798	1.2
283.09811	2.3
283.15250	7.1
291.10165	10.9
292.11087	0.9
293.08350	1.0
293.11783	1.1
295.09818	1.1
296.10559	2.7
297.11444	1.7
307.09897	1.1
308.10617	1.5
309.11279	4.8
311.12778	13.1
323.12839	17.8
325.10788	1.5
327.12280	1.3
329.13736	1.4
337.10605	1.6
339.12421	1.1
339.18073	1.8
341.13864	30.3
355.11929	2.2
357.13382	5.5
367.12164	1.1
385.12848	5.3
501.23117	26.7
501.30389	1.6
657.30676	1.5
695.20538	1.5
761.39392	100.0
762.39484	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72631	0.7
55.01885	3.7
55.02087	0.7
61.62197	0.7
65.03944	1.4
67.05498	1.2
68.26324	0.6
68.99799	1.3
69.03432	1.0
69.81356	3.3
70.41803	0.6
72.08145	1.5
79.01853	0.8
79.05484	2.3
79.70303	0.6
81.03421	5.1
81.07068	1.1
83.04974	1.9
85.02912	1.0
85.06536	0.8
91.05492	4.7
93.07040	0.8
95.04967	2.1
97.02890	1.5
98.21600	0.9
103.05479	1.4
105.03340	0.9
105.07032	2.0
107.04962	4.7
108.05743	2.0
109.02884	2.6
109.06557	0.8
109.10226	0.8
111.04443	1.3
115.05473	3.5
116.06271	1.1
117.07014	2.0
119.04960	0.8
121.02911	0.9
121.06507	2.6
123.04454	3.9
124.05210	0.9
125.02368	1.3
128.06213	3.1
129.07013	3.9
130.07793	0.8
131.04918	2.8
131.08582	1.7
132.05702	0.9
133.06528	1.3
135.04410	4.7
136.05211	2.5
137.02353	1.5
137.05968	2.9
138.06801	1.0
139.07535	1.8
141.07004	1.6
143.04916	1.1
143.08569	2.1
144.05688	1.4
145.06497	18.4
146.07304	3.7
147.04451	1.6
147.08040	1.9
149.02325	0.9
149.06024	1.0
150.06750	0.8
151.03883	1.9
151.07556	70.4
152.07957	0.8
155.03438	1.1
155.04836	1.2
155.06067	1.0
155.08464	0.7
157.06525	5.9
158.07275	7.2
159.04407	3.1
159.08044	6.4
160.05185	2.2
160.08778	2.3
161.06006	5.0
162.06761	2.7
163.03883	2.6
163.07445	1.1
165.01878	1.4
165.05493	5.3
165.06746	0.9
165.09120	1.3
167.07089	0.9
169.06541	1.5
171.08020	2.7
172.08839	11.8
173.06029	9.7
174.06775	10.5
175.03940	1.3
175.07561	7.1
176.08336	4.4
177.09122	11.3
179.07040	3.1
179.08435	0.8
181.06497	2.1
182.07297	2.2
183.07976	0.9
185.06017	2.7
186.06821	1.6
187.07562	6.0
188.08353	17.0
189.09122	100.0
190.09583	1.8
191.03447	1.0
191.06921	1.1
191.08569	1.2
191.10675	4.5
195.08046	1.5
196.08815	2.2
197.06006	1.4
199.07523	1.8
200.08340	2.7
201.05441	1.2
201.09113	30.2
202.08270	0.8
202.09869	5.6
203.06978	1.5
203.10689	32.9
205.08606	1.7
207.08058	1.5
208.08894	0.9
209.04327	1.5
209.09595	1.5
211.07526	2.7
212.08406	1.9
213.05446	0.7
213.09109	8.0
215.07082	1.2
215.10732	5.9
216.07825	1.4
217.08595	1.9
218.07362	1.0
219.08035	2.6
219.10168	7.5
221.05997	1.0
221.09705	1.3
221.11720	1.4
222.10516	1.2
223.07593	1.6
224.08333	1.9
225.05464	1.0
225.09085	3.7
226.06184	0.9
226.09850	1.0
227.07132	1.0
227.10684	4.2
229.04913	1.4
229.08615	1.7
229.12169	1.0
231.08186	1.1
231.10172	28.5
232.08682	1.5
233.09683	1.3
234.10486	1.1
235.07555	2.1
236.08351	0.8
237.09181	1.1
238.10011	1.5
239.06894	1.6
239.10628	5.1
240.07762	1.1
241.08578	8.8
241.12242	1.1
243.10248	1.3
247.07538	2.7
248.08412	2.0
249.08989	2.5
249.11267	14.0
250.09862	1.7
251.10655	2.7
253.08582	2.8
253.12376	1.4
254.09464	1.5
255.06404	1.5
255.10182	3.8
257.11819	1.2
260.08401	0.9
261.05356	1.0
261.09109	2.0
262.05954	0.8
262.09860	2.3
262.17957	1.1
263.07108	1.8
263.10651	3.4
264.07697	1.3
265.08664	1.6
265.12244	1.3
266.09399	1.1
267.10120	2.9
269.08105	5.5
269.11127	0.8
270.08832	1.3
271.09570	1.2
275.07114	1.0
276.07797	1.6
277.08588	2.6
278.09433	2.5
279.06754	1.4
279.10181	3.2
280.10815	1.6
281.08185	1.4
281.11594	1.8
283.09653	3.2
288.07669	0.9
289.08578	2.5
290.09418	1.6
291.10165	5.5
292.07333	1.3
292.10526	1.6
293.08078	2.1
293.11661	2.4
294.08783	1.1
295.09628	1.1
297.11316	1.2
299.12567	0.8
303.10104	1.1
305.08160	1.7
305.11533	1.2
306.08759	1.0
307.09711	4.3
308.10400	1.6
309.11145	7.4
311.12997	1.1
313.10745	1.0
319.09778	2.6
320.10486	2.3
321.07605	1.6
321.11139	7.9
323.09216	1.0
323.12823	1.8
325.10843	1.1
333.11017	1.0
337.10800	4.3
338.11417	2.1
339.12277	3.4
350.11584	1.2
351.12381	1.9
355.11835	2.8
357.13217	2.7
367.11652	1.7
368.12311	1.0
369.13266	2.1
373.61053	0.9
385.12851	1.7
429.13419	1.2
477.15256	1.6
479.14771	1.2
489.15573	1.1
497.15521	1.1
501.15649	0.9
519.16644	2.2
527.16730	1.3
536.87695	0.8
539.16956	0.8
546.31665	0.9
557.17773	1.0
605.21039	1.0
617.21484	1.1
623.20673	1.3
629.21320	2.1
631.23206	2.0
635.72736	0.9
647.22852	2.6
649.24536	1.1
659.23145	1.7
665.23157	2.4
677.23682	3.6
695.25055	4.6
707.24365	3.3
725.25824	5.7
743.26495	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	761.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01873	3.2
55.05523	0.5
62.34243	0.3
65.03954	0.8
67.05505	0.6
67.58305	0.3
68.99789	0.9
69.03430	0.5
69.16437	3.2
71.01369	0.3
72.08164	0.4
74.99406	0.3
77.03934	0.3
79.05484	1.8
79.18602	0.3
80.06246	0.3
81.03423	11.2
81.07069	0.4
83.04983	1.2
85.02895	0.7
90.04704	0.3
91.05484	2.5
95.04977	0.8
97.02915	2.0
103.05466	0.7
105.03413	0.6
105.07026	1.3
107.04954	3.9
108.05745	1.3
109.02877	0.9
109.06548	0.4
111.04430	1.5
115.05444	2.0
116.06261	0.5
117.07033	1.6
119.04971	0.5
121.02866	0.7
121.06516	1.9
122.03652	0.8
123.04440	1.0
125.02358	6.5
128.06218	2.0
129.07005	2.3
131.04915	1.5
131.08585	1.1
132.05717	0.5
133.02853	0.5
133.06509	1.1
135.04430	2.9
136.05228	3.2
137.02350	0.4
137.05983	13.2
138.06628	0.4
139.03947	0.7
141.06981	1.0
143.04913	1.2
143.08595	0.9
144.05704	1.0
145.06491	8.9
146.07291	2.2
147.04373	0.3
147.08095	0.8
149.02283	0.5
149.05992	0.6
151.04036	3.5
151.07547	100.0
152.06248	0.5
152.07889	1.0
153.01855	0.3
153.05513	0.4
153.06949	0.6
155.03403	6.3
155.04779	0.5
156.05699	1.0
157.06476	4.1
158.07289	3.5
159.04453	1.9
159.08081	4.9
160.05244	2.3
160.08855	1.8
161.05997	3.0
162.06775	0.6
163.03888	0.3
163.07533	0.4
165.01872	0.3
165.05463	1.3
165.06917	0.7
166.07817	0.6
167.03397	1.7
167.08540	0.6
168.05717	0.4
169.06458	0.9
170.07144	0.4
170.94336	0.3
171.08060	3.1
172.05214	0.6
172.08835	9.0
173.05997	5.1
173.07402	0.6
173.09590	0.6
174.06773	8.8
175.03920	1.1
175.07547	6.9
176.08327	4.9
176.55609	0.3
176.73178	0.3
177.09109	4.2
178.07764	0.5
179.03406	1.2
179.08484	0.4
180.05678	0.6
181.05058	0.4
181.06432	1.9
182.07288	1.2
183.04378	0.3
183.08063	1.5
184.05219	0.3
184.08896	0.6
185.05994	0.9
186.06766	0.6
187.07553	5.6
188.08327	13.7
189.09113	63.6
190.09616	1.0
191.03435	0.5
191.08766	0.5
191.10677	3.5
192.09337	0.3
195.08078	1.9
196.08861	6.6
197.06047	0.5
197.09647	0.4
198.06775	0.9
199.07545	1.3
199.11272	0.3
200.08313	2.7
201.05484	0.9
201.09116	8.8
202.07956	0.6
202.09886	7.5
203.06985	1.1
203.10674	20.4
205.04826	0.3
205.08589	1.3
207.08107	0.8
208.08853	0.9
208.77588	0.3
209.04480	0.5
209.09584	0.7
210.10367	0.7
211.07594	1.6
212.08284	2.6
213.09122	7.1
215.06949	0.5
215.10690	1.3
216.07790	1.9
217.08592	1.1
218.07310	0.5
218.09261	0.3
219.08142	1.0
219.10144	16.1
220.07106	0.4
221.09720	0.6
221.11725	1.3
222.10393	0.5
223.07520	0.8
223.11302	0.3
224.08418	0.9
225.09114	1.2
226.09912	2.9
227.10657	8.1
228.11307	0.5
229.08522	0.9
230.09421	0.4
231.10165	32.1
232.10683	0.5
233.09807	0.4
234.10394	0.9
235.07607	1.1
236.08379	0.4
237.09155	0.8
238.09880	1.3
239.10703	2.2
240.11609	0.4
241.08560	1.0
241.12250	1.1
243.10179	1.1
247.07574	0.5
248.08295	0.8
248.10527	0.3
249.09134	0.8
249.11247	18.0
250.09831	0.9
251.07021	0.5
251.10699	1.2
252.11433	0.9
253.08492	0.5
253.12250	1.0
254.09514	0.5
255.10109	2.0
257.11633	0.6
262.09949	0.5
263.06964	0.4
263.10626	1.4
264.11404	0.5
265.08734	0.4
265.12268	1.1
267.10117	1.0
269.11649	1.2
270.09103	0.3
270.12454	1.8
271.09772	0.6
275.07233	0.4
277.08557	0.6
278.09369	1.0
279.10104	1.0
281.11673	2.2
283.09912	0.4
283.13275	0.7
291.06992	0.3
291.09970	1.6
293.08453	0.4
293.11813	1.1
295.09753	0.7
295.13068	0.4
296.10428	0.5
297.11194	0.4
299.13022	0.7
307.09570	0.8
309.11203	6.2
311.12753	1.3
313.10599	0.7
313.14352	0.3
319.09625	0.9
325.10645	1.4
327.12195	1.8
337.10657	2.6
339.12320	2.3
341.13947	0.3
355.11783	3.2
356.12476	0.5
357.13333	11.9
367.11740	2.1
373.12787	0.6
385.12848	6.8
386.13232	0.6
403.13812	0.8
651.13007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
55.01878	3.5
58.20624	0.2
65.03944	0.9
67.05510	0.5
68.99801	1.3
69.03443	0.6
71.06471	0.2
71.44034	0.4
73.72599	0.3
75.08414	0.2
79.05500	1.0
80.06245	0.3
81.03423	12.0
83.01333	0.4
83.04993	1.4
85.02922	0.7
90.04693	0.3
91.05477	2.9
93.03390	0.4
93.07073	0.3
94.04189	0.3
95.04987	1.3
97.02908	2.9
103.05476	0.8
105.03399	0.9
105.07039	1.4
107.04968	3.3
108.05738	1.3
109.02914	0.8
109.06528	0.4
111.00819	0.3
111.04459	0.8
115.05458	2.7
116.06245	0.6
117.07033	1.3
119.04929	0.6
121.02882	0.6
121.06547	1.6
122.03634	0.6
123.04440	0.8
125.02369	6.6
128.06226	2.6
129.07010	3.3
130.07762	0.3
131.04959	2.1
131.08620	1.4
132.05681	0.4
133.02902	0.3
133.06525	1.3
135.04427	2.8
136.05219	3.9
137.02371	0.6
137.05983	10.3
138.06738	0.9
139.03854	0.3
141.01865	0.3
141.07001	1.0
141.74992	0.2
142.07716	0.3
143.04959	0.7
143.08580	0.9
144.05737	1.9
145.06487	10.3
146.07289	2.2
147.04463	0.5
147.08063	0.7
149.02341	0.9
149.05972	0.5
151.04056	3.6
151.07553	100.0
152.06230	0.7
152.07933	0.9
153.07025	0.7
155.03409	7.9
155.04785	0.5
155.06062	0.4
155.08553	0.3
156.05740	1.2
157.06514	3.9
158.07283	4.3
159.04428	1.4
159.08060	5.3
160.05231	2.0
160.08844	2.3
161.05989	4.4
162.06779	0.8
163.03976	0.3
165.01996	0.3
165.05505	1.1
165.07031	0.7
167.03409	2.3
167.08597	0.4
168.05737	0.6
169.06477	1.1
169.07686	0.3
170.07294	0.4
171.08064	4.3
172.05235	0.5
172.08850	10.7
173.06006	5.5
173.09508	0.5
174.06784	10.3
175.03903	1.1
175.07562	6.1
176.08330	4.6
177.09119	4.2
178.07808	0.3
179.03416	1.0
179.06960	0.3
180.05760	0.8
181.05025	0.5
181.06487	2.4
182.07294	1.1
183.02863	0.5
183.08054	1.4
184.05226	0.5
184.08900	0.3
185.06006	0.8
186.06807	0.7
187.07550	6.4
188.08342	14.9
189.09120	69.6
190.09598	0.9
191.03415	0.6
191.07040	0.4
191.08588	0.8
191.10684	3.9
194.07191	0.3
195.08096	1.5
196.08849	7.5
197.05989	0.7
197.09569	0.6
198.06726	0.6
199.07550	1.1
200.08344	2.9
201.05412	1.0
201.09119	11.3
202.09900	7.7
203.07005	0.9
203.10680	21.6
204.07841	0.5
205.06769	0.4
205.08623	1.2
206.07320	0.3
207.08080	0.7
208.08875	1.0
209.09639	0.8
210.06625	0.3
210.10469	0.8
211.07507	1.5
212.08353	2.6
213.09114	7.4
214.09837	0.7
215.07059	0.7
215.10756	1.2
216.07837	2.4
217.08620	0.9
218.07364	0.4
218.09456	0.7
219.08131	1.6
219.10158	17.7
220.07193	0.5
221.09604	1.2
221.11757	0.8
222.10359	0.8
223.07530	0.9
224.08333	0.8
225.09103	1.0
226.09891	3.2
227.10686	8.1
228.07693	0.3
228.11365	0.4
229.08601	0.8
231.10179	30.5
232.08784	0.5
232.10843	0.4
233.05963	0.4
233.09816	0.5
234.10413	1.1
235.07582	1.0
236.08316	0.4
237.09169	0.9
238.09857	0.8
239.10661	2.2
240.07919	0.5
241.08511	0.7
241.12202	1.4
243.10133	1.0
247.07507	1.1
247.09624	0.5
248.08344	0.9
249.11256	18.4
250.09833	1.2
251.10681	1.1
252.07948	0.3
252.11371	0.8
253.08600	0.6
253.12259	1.0
254.09332	0.7
255.10147	1.5
257.08240	0.3
257.11670	0.6
259.07361	0.3
262.09918	0.5
263.07098	0.8
263.10669	1.5
264.11780	0.4
265.08533	0.7
265.12271	1.2
266.09384	0.6
267.10132	1.3
269.11743	1.6
270.12442	1.7
271.09637	0.6
271.13193	0.4
276.07742	0.4
277.08646	0.7
278.09351	0.8
279.07047	0.3
279.10165	0.9
280.10785	0.5
281.08636	0.4
281.11691	2.3
283.09793	0.5
283.13303	0.7
285.11023	0.4
291.10159	1.7
293.08340	0.6
293.11685	1.3
295.09622	0.9
295.13156	0.3
297.11285	0.9
299.12732	0.6
306.09030	0.3
307.09604	0.5
309.11230	5.3
311.09354	0.4
311.12723	1.5
319.09634	0.9
323.12634	0.4
325.10553	1.3
327.12247	1.5
337.10757	3.1
339.12299	2.1
341.13693	0.5
343.12039	0.3
355.11804	3.3
357.08853	0.5
357.13336	10.8
367.11771	1.5
373.12692	0.7
385.08023	0.5
385.12839	8.7
386.13174	0.3
403.13901	0.8
649.00940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
55.01876	2.9
56.06975	0.3
65.03954	0.6
67.05509	0.4
68.26218	0.3
68.99788	1.0
70.32764	1.0
70.33141	0.4
79.01898	0.4
79.05492	0.8
80.06258	0.4
81.03426	12.5
83.01377	0.4
83.04990	0.7
85.02927	0.3
91.05496	2.3
93.03410	0.4
95.04961	0.5
97.02895	2.2
103.05505	0.5
104.06209	0.3
105.03391	1.1
105.07041	1.2
107.04975	3.8
108.05758	1.1
109.02877	0.9
111.04428	0.7
115.05450	1.8
117.07005	2.1
119.04996	0.7
121.02965	0.5
121.06519	1.6
122.03648	0.6
123.04462	0.4
125.02363	6.1
128.06247	2.0
129.06998	2.2
131.04965	2.0
131.08545	0.7
132.05684	0.4
133.02852	0.5
133.06503	1.3
135.04428	2.8
136.05208	2.6
137.02397	0.6
137.05984	9.4
138.06786	0.4
139.03946	0.5
141.06992	0.9
143.04939	0.9
143.08556	0.8
144.05750	1.6
145.06499	9.8
146.07289	1.8
149.02307	0.9
151.04018	4.1
151.07556	100.0
152.06207	0.5
152.07922	1.1
155.02271	0.6
155.03409	6.4
155.04729	0.5
156.05733	0.8
157.06531	3.0
158.07285	3.5
159.04414	1.4
159.08046	4.2
160.05176	1.7
160.08861	1.9
161.06010	4.0
162.06743	0.6
163.07466	0.4
165.05464	1.2
165.06981	1.0
165.09111	0.5
167.03409	1.5
167.08585	0.5
169.06512	0.7
170.07289	0.4
170.54776	0.3
171.08066	3.6
172.08850	8.0
173.06015	3.9
174.06793	7.3
175.03920	0.9
175.07556	6.3
176.08339	4.2
177.09116	3.2
179.03435	0.6
179.08540	0.5
180.05690	0.8
181.06462	1.6
182.07318	0.8
183.08078	1.2
184.08810	0.5
185.06007	0.6
187.07550	4.8
188.08340	12.0
189.09120	55.0
190.09602	0.6
191.03476	0.6
191.09029	0.5
191.10687	3.1
193.10124	0.5
195.08092	2.0
196.08861	7.5
197.06100	0.5
197.09682	0.5
198.06752	1.0
199.07538	1.3
200.08318	2.0
201.05345	0.6
201.09126	8.2
202.09909	6.7
203.07028	1.0
203.10677	18.1
205.08563	0.9
206.07297	0.4
207.08118	0.6
208.08821	1.0
209.09727	0.5
210.10547	0.4
211.07521	1.2
212.08377	2.1
213.09122	6.2
214.09721	0.6
215.07040	0.6
215.10672	1.1
216.07784	2.1
217.08549	0.9
218.07338	0.5
219.08136	1.7
219.10152	16.1
220.07190	0.5
221.09808	0.7
221.11708	0.8
222.10381	0.8
223.07495	0.5
224.08290	1.3
225.09012	1.0
226.09900	3.1
227.10692	7.9
228.11401	0.5
229.08514	1.0
231.10176	26.7
232.10716	0.7
234.10338	1.4
235.07707	0.7
237.09285	0.7
238.09814	0.9
239.10652	1.8
241.08556	0.8
241.12184	1.2
243.10144	0.5
247.09790	0.5
248.08205	0.5
249.11266	16.6
250.09872	1.0
251.07129	0.5
251.10660	1.1
252.11403	0.7
253.08566	0.8
253.12303	0.9
254.09244	0.4
255.10158	1.4
255.13739	0.4
257.11710	0.8
261.09030	0.5
262.09915	0.6
263.07117	0.5
263.10666	1.4
265.08774	0.7
265.12222	1.4
266.09454	0.5
267.10083	0.8
269.11749	1.8
270.12457	1.5
271.09814	0.6
271.12946	0.4
278.09332	1.0
279.10129	1.1
280.10999	0.5
281.11713	1.5
283.09790	0.7
283.13171	0.8
290.09537	0.5
291.10294	1.8
293.08426	0.6
293.11713	1.4
295.09567	1.1
297.11163	0.4
299.12756	0.8
306.08975	0.4
307.09576	0.4
309.11209	5.6
311.12778	1.7
319.09589	0.7
321.11047	0.6
325.10605	0.9
327.12259	1.7
337.10678	2.8
339.12274	2.0
341.13904	0.7
355.11853	2.7
356.12482	0.4
357.13382	10.7
367.11807	1.6
373.12851	0.6
385.12851	7.4
403.13699	0.5
649.91888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01881	2.5
65.03936	0.6
67.05511	0.5
68.99806	0.7
69.03436	0.4
69.59164	1.5
77.03948	0.3
78.04706	0.3
79.05507	1.3
81.03426	11.8
83.04993	0.9
85.02919	0.6
91.05497	2.2
93.03431	0.3
94.04222	0.5
95.04963	1.0
97.02914	2.3
103.05464	0.5
105.03411	1.0
105.07053	0.9
107.04967	3.6
108.05762	1.5
109.02869	0.7
111.04448	0.8
115.05453	1.6
116.06303	0.4
117.07035	0.8
119.04974	0.3
121.02866	0.6
121.06533	0.9
122.03675	0.7
123.04461	0.7
125.02374	6.0
128.06242	1.7
129.07024	2.1
131.04936	1.8
131.08612	0.6
132.05748	0.6
133.06511	1.0
135.04422	2.6
136.05214	2.4
136.09763	0.3
137.06000	12.1
138.06770	0.6
139.03885	0.5
141.07028	1.1
143.04936	1.0
143.08549	0.6
144.05714	1.3
145.06519	7.0
146.07283	1.8
147.04497	0.4
147.08069	0.8
149.02341	0.4
151.04042	3.6
151.07559	100.0
152.07907	0.9
153.06943	0.4
155.03413	6.1
155.06044	0.5
156.05632	0.5
157.06522	2.7
158.07281	2.7
159.04430	1.2
159.08076	3.9
160.05257	1.6
160.08800	1.9
161.05992	3.7
162.06763	0.5
163.03906	0.4
165.05482	1.0
165.06923	0.7
167.03395	1.6
167.08662	0.3
168.05713	0.4
169.06473	0.5
170.07286	0.4
171.08057	3.1
172.05244	0.3
172.08849	6.2
173.05971	3.9
173.09531	0.3
174.06787	5.8
175.03947	0.6
175.07579	5.3
176.08351	4.0
177.09131	2.8
179.03442	0.8
179.06976	0.3
179.08601	0.4
180.05743	0.5
181.06441	1.7
182.07330	0.7
183.02843	0.3
183.08005	1.5
185.06096	0.4
187.07561	6.0
188.06975	0.2
188.08340	10.7
189.09125	46.5
190.09593	0.7
191.03448	0.4
191.08702	0.4
191.10703	2.5
195.08069	1.8
196.08870	5.8
197.06006	0.5
197.09503	0.5
198.06717	0.4
199.07538	1.0
200.08372	1.8
201.05487	0.5
201.09116	7.0
202.09908	5.5
203.07014	0.9
203.10690	14.4
204.07817	0.4
205.08594	1.4
207.08072	0.6
208.08887	0.6
209.09639	0.7
210.10353	0.6
211.07529	1.5
212.08331	2.1
213.09125	6.4
214.09833	0.6
215.07019	0.6
215.10657	1.5
216.07811	1.7
217.08615	0.8
218.07339	0.5
218.09300	0.7
219.08154	1.2
219.10161	14.5
220.07146	0.6
221.09695	0.7
221.11678	0.4
222.10425	0.5
223.07565	0.7
224.08351	0.9
225.09062	1.4
226.09909	2.6
227.10695	6.9
228.11349	0.5
229.08702	0.7
231.10185	24.6
232.08672	0.5
232.10732	0.6
233.09842	0.5
234.10370	0.8
235.07544	1.0
237.09077	0.7
238.09872	0.9
239.07146	0.4
239.10754	1.7
241.08521	0.5
241.12285	1.0
243.10158	1.0
247.07565	0.5
248.08318	0.3
249.09109	1.0
249.11259	14.9
250.09889	0.7
251.07076	0.5
251.10870	0.7
252.11426	0.7
253.08736	0.4
253.12276	0.8
254.09479	0.5
255.10191	1.2
257.11688	0.7
263.07050	0.4
263.10657	0.9
264.07840	0.5
265.12143	1.3
267.10153	0.9
269.11597	1.4
270.12524	1.5
277.08624	0.6
278.09375	0.9
279.06628	0.4
279.10120	1.2
281.11624	1.7
283.09705	0.4
283.13171	0.6
291.10110	1.5
293.08450	0.4
293.11798	1.1
295.09665	0.5
297.11304	0.5
299.12616	0.9
307.09659	0.5
309.11258	5.8
311.12943	1.4
319.09814	0.5
321.11209	0.5
325.10651	0.9
326.11420	0.3
327.12115	1.3
337.10718	2.7
339.12399	2.0
349.10730	0.4
355.11777	2.8
356.12445	0.5
357.13379	10.3
367.11826	1.4
373.12793	0.6
375.45941	0.3
385.12827	6.9
403.13644	0.6
425.05176	0.3
769.60999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.5
55.01872	3.4
55.05272	1.3
55.05516	18.0
57.03445	18.9
57.07075	2.4
65.03945	2.0
67.05510	64.2
69.03430	3.0
69.07074	16.8
69.93524	1.1
70.06565	1.3
70.09328	5.8
71.04987	4.8
73.02983	1.3
79.05500	47.7
81.03427	94.6
81.07063	61.2
83.04993	7.9
83.08626	25.0
85.02913	2.7
85.06533	2.5
86.09718	2.1
91.05492	34.2
93.07053	50.0
95.04979	33.6
95.08614	43.5
97.02897	3.5
97.06548	5.0
97.10172	9.0
99.08067	1.7
105.07043	32.0
107.04948	7.0
107.08600	29.1
109.06522	5.0
109.10165	20.7
109.10855	2.3
111.04464	1.8
111.08082	8.8
115.05432	2.3
116.07121	1.9
117.07032	9.4
119.04956	1.1
119.08589	22.3
121.06506	3.3
121.10162	26.8
123.04443	2.2
123.08105	3.7
123.11686	6.9
125.09653	6.0
128.06226	1.5
129.07031	10.1
131.08591	23.7
133.06525	1.9
133.10138	15.3
135.08066	1.8
135.11708	15.3
137.09636	3.4
137.13293	1.9
139.11205	1.7
142.07716	3.0
143.08583	2.1
145.10136	10.4
147.08043	3.5
147.11703	16.5
149.09616	5.4
149.13281	4.8
151.07631	1.5
153.12689	1.4
155.08548	2.2
157.10155	12.5
159.11720	7.1
161.13283	4.3
163.11195	2.0
163.14854	3.9
165.12758	2.0
169.10222	1.6
171.11678	3.0
173.13293	7.3
175.11168	9.4
175.14848	3.3
183.11710	1.5
184.07283	6.2
185.13284	2.0
187.14804	3.7
189.09149	1.5
189.11218	2.7
189.94911	1.1
193.12270	28.1
195.13788	1.4
199.14780	1.2
201.16426	1.6
211.13246	3.5
211.14993	2.0
227.12740	8.0
233.15550	1.4
235.13301	3.1
243.21100	5.4
249.14813	2.4
259.13165	1.6
261.22180	19.5
267.15939	100.0
279.23190	2.1
280.82443	1.3
285.16980	5.5
287.23715	2.0
301.25354	6.2
309.17014	4.3
315.23071	1.5
317.24738	4.3
333.24155	1.7
335.25836	92.6
336.26410	2.5
417.26340	1.7
417.31461	2.2
421.25858	2.9
435.27292	2.9
435.32291	5.9
453.33591	8.3
471.34644	5.7
509.36081	3.0
527.37378	69.3
528.38043	1.4
545.38458	63.0
545.46899	3.0
563.39117	5.0
569.38416	4.3
635.38995	2.1
760.42981	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.9
55.01874	5.9
55.05530	0.4
61.02961	0.3
65.03941	0.7
67.05505	1.2
68.99786	0.8
69.03423	0.6
70.53229	1.2
72.04514	1.0
77.03929	0.4
79.05500	2.2
81.03422	5.4
81.07062	0.7
83.04974	1.2
85.02892	0.7
91.05486	1.5
93.07042	0.6
95.04965	1.1
95.08620	0.5
97.02895	2.2
98.21418	0.4
103.05468	2.3
105.03387	1.0
105.07032	1.1
107.04943	1.3
107.08635	0.5
109.02859	1.2
109.75855	0.4
111.04440	0.6
115.05460	13.3
117.07015	5.9
119.08587	0.5
121.02896	0.6
121.06517	0.6
122.03699	0.6
123.04391	0.9
125.02354	6.7
127.05458	0.5
128.06223	8.8
129.07016	34.9
130.35684	0.4
131.04921	3.1
131.08603	1.1
131.27356	0.4
133.06479	0.6
135.04425	93.1
136.04788	0.6
137.02379	1.1
137.05997	3.1
138.03151	0.4
139.03922	0.8
139.05441	1.9
140.25916	0.4
141.06992	0.8
143.04936	12.4
144.05661	0.5
145.05408	0.7
145.06499	10.7
147.04341	0.4
147.08044	1.0
149.02319	1.0
151.03946	2.1
151.07558	9.6
152.06253	0.7
153.07011	1.2
155.03403	9.7
155.06017	1.9
156.05705	3.2
157.06500	37.4
158.07039	0.6
159.04436	4.3
159.08022	0.5
160.05203	1.2
161.06012	4.6
163.03922	0.6
165.05469	1.1
165.07054	0.5
167.03468	0.7
167.04913	2.0
169.06451	0.4
172.05228	2.2
172.08791	0.5
173.05994	100.0
174.06645	2.1
175.03909	3.3
175.07550	3.9
177.09094	0.4
181.06494	4.4
184.07430	0.9
185.05994	26.3
186.06783	12.9
187.07555	29.2
188.08289	1.1
189.09132	4.2
191.08521	0.6
191.10625	0.4
195.08012	0.6
196.08824	0.7
197.06004	7.7
198.06580	0.5
198.09111	0.4
201.05449	1.2
201.09097	2.0
202.06236	0.7
202.09892	0.4
203.07043	20.9
203.10742	0.8
205.08601	2.1
207.08008	0.8
210.06705	0.6
211.07545	2.1
212.08412	0.6
213.05550	0.5
213.09071	0.6
215.07042	51.0
219.08124	1.1
219.10201	1.2
221.05865	0.4
223.07442	0.7
231.06538	0.5
231.10120	1.5
233.08096	24.2
235.07588	1.1
237.08966	0.6
239.07060	0.6
247.07616	0.7
249.08868	0.7
249.11157	1.2
251.07060	0.5
253.08679	0.6
263.07019	0.8
265.08615	0.8
267.06406	0.4
269.08218	0.4
277.08554	1.1
291.06461	0.5
291.09824	0.5
293.08234	1.9
307.09717	0.6
308.06213	0.4
309.07507	0.7
311.09094	0.5
321.07434	1.2
323.12744	0.6
325.10623	0.4
337.14459	0.5
339.08566	1.1
341.10059	2.0
351.08444	0.5
355.15128	0.5
369.09686	1.2
385.12811	0.6
386.38107	0.4
387.10583	1.3
596.40869	0.5
597.42133	0.8
759.47229	0.6
771.67297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01876	2.1
63.26610	0.3
65.03940	0.7
67.05508	0.4
68.99800	0.7
69.03442	0.4
71.43505	0.5
74.25681	0.3
77.69446	0.3
79.05486	0.7
81.03424	13.0
83.04989	1.2
83.65078	0.3
85.02887	0.3
91.05489	2.0
95.04996	0.8
97.02890	1.7
105.03386	0.8
105.07036	0.6
107.04962	3.1
108.05750	1.4
109.02894	0.6
109.06522	0.4
111.04456	1.2
115.05451	1.8
116.06189	0.3
117.07030	1.1
121.02878	0.4
121.06512	1.1
122.07309	0.5
123.04466	0.6
125.02360	4.7
128.06227	1.7
129.06969	1.8
131.04944	1.0
131.08603	0.4
133.06468	0.7
135.04433	8.3
136.05229	2.0
137.02406	0.5
137.05992	2.0
138.06737	0.4
139.03874	0.4
141.07014	0.5
142.07841	0.3
143.04936	0.8
144.05714	1.2
145.06491	7.5
146.07274	1.4
147.08148	0.3
149.02316	1.4
151.07556	100.0
152.06236	0.5
152.07890	0.7
153.06880	0.3
155.03418	5.6
155.04799	0.5
156.05721	0.7
157.06493	2.2
158.07324	1.7
159.04428	0.7
159.08095	3.3
160.05241	0.9
160.08862	0.9
161.06000	2.2
162.06703	0.8
163.03928	0.4
165.05525	0.6
165.06932	0.4
167.03416	1.0
167.08574	0.4
169.06447	0.4
171.08047	2.5
172.08847	5.7
173.06012	3.9
174.06763	4.9
175.03917	0.7
175.07561	3.0
176.08342	3.5
177.06960	0.3
177.09116	2.4
179.03354	1.0
180.05725	0.6
181.06502	1.8
182.07266	0.9
183.02893	0.5
183.08078	1.0
185.05992	1.4
186.06747	0.5
187.07574	3.6
188.06700	0.6
188.08342	8.6
189.09122	39.0
190.09634	0.6
191.08717	0.4
191.10693	1.9
195.08080	0.9
196.08842	5.6
197.02022	0.3
197.06009	0.6
197.09601	0.5
198.06720	1.0
199.07512	0.8
199.11235	0.4
200.08350	1.1
201.05463	0.6
201.09087	5.9
202.09901	4.7
203.07036	0.7
203.10686	13.0
205.08542	0.6
207.08090	0.7
208.08844	0.5
209.09630	0.7
210.10362	0.5
211.07547	1.2
212.08290	2.2
213.09138	4.1
214.10019	0.3
215.07042	0.6
215.10669	1.3
216.07822	1.4
217.08583	0.6
218.07426	0.3
219.08231	0.9
219.10167	15.8
221.09683	0.4
221.11647	0.5
222.10400	0.7
224.08351	0.9
225.09077	1.1
226.09857	2.4
227.10684	7.0
228.11537	0.4
229.08687	0.6
231.10176	21.0
232.10619	0.6
234.10434	0.8
235.07527	0.9
237.09181	0.4
238.09819	0.8
239.10623	1.8
241.08659	0.4
241.12173	0.7
243.10252	0.5
247.07603	0.6
248.08453	0.4
249.09090	0.9
249.11266	12.2
250.09760	0.5
251.06830	0.4
251.10658	0.8
252.11537	0.6
253.08476	0.6
253.12221	1.0
254.09389	0.5
255.10213	1.2
257.11771	0.4
261.09207	0.3
262.09882	0.4
263.07004	0.6
263.10696	1.0
264.11420	0.7
265.08691	0.4
265.12305	0.7
266.09180	0.4
267.10135	0.7
269.08426	0.3
269.11603	0.8
270.12466	1.7
271.09564	0.5
277.08630	0.5
278.09537	0.7
279.06464	0.3
279.10037	0.4
281.11752	1.5
283.09698	0.5
283.13168	0.5
291.10043	1.5
293.08365	0.4
293.11740	0.9
295.09537	0.6
297.11230	0.9
299.12793	0.7
307.09818	0.4
309.11206	4.7
310.80502	0.3
311.12680	0.7
319.09561	0.8
325.10687	1.1
327.12183	1.0
337.10687	2.3
339.12503	1.6
349.10696	0.4
355.11774	3.3
357.13370	7.9
367.11752	1.1
373.12714	0.4
385.12860	6.4
403.13412	0.4
431.93341	0.3
704.06830	0.3
775.49762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34524	0.4
55.01879	2.9
55.22392	0.4
64.26376	0.4
65.03938	1.0
66.06761	0.3
68.99793	0.8
70.32652	1.5
79.05484	1.2
80.55108	0.4
81.03418	12.3
83.04997	1.1
85.02914	0.5
85.91351	0.4
86.66501	0.4
90.04691	0.4
91.05486	2.2
94.42635	0.4
95.04955	0.9
97.02887	2.4
103.05450	0.8
105.03387	0.8
105.07076	0.9
107.04964	3.5
108.05721	1.4
109.02863	0.7
111.04444	0.7
115.05456	1.3
117.06996	1.0
121.06522	1.4
122.07306	0.4
123.04411	0.9
125.02367	4.9
128.06213	1.6
129.06958	2.6
130.92792	0.4
131.04956	1.6
131.08577	0.5
132.05667	0.6
133.06471	0.8
133.42686	0.4
135.04413	9.2
136.05196	2.5
137.02324	0.5
137.06024	2.2
137.82149	0.4
138.06683	0.5
141.07019	1.2
142.07713	0.4
143.04893	1.0
143.08521	0.8
144.05724	0.9
145.06487	8.8
146.07277	1.8
149.02328	1.6
150.27316	0.4
151.03944	1.8
151.07549	100.0
152.06291	0.5
152.07878	1.7
155.03398	6.0
157.06461	2.5
158.07312	2.5
159.04449	1.2
159.08046	3.6
160.05188	1.2
160.08794	1.3
161.05983	3.3
162.06824	0.4
165.05441	0.9
165.07016	0.6
167.03430	1.3
168.05731	0.5
171.08051	2.6
172.08849	7.3
173.05995	5.3
173.09554	0.5
174.06781	5.3
175.03931	1.0
175.07535	3.6
176.08342	3.6
177.09099	2.5
179.03462	1.1
181.06451	2.0
182.07310	1.3
183.02916	0.5
183.08096	1.0
185.06042	1.3
187.07573	4.1
188.08333	11.9
189.09113	51.8
190.09511	1.2
191.07027	0.5
191.08923	0.5
191.10698	2.5
194.07352	0.6
195.08075	1.7
196.08838	5.9
197.09529	0.6
198.06795	0.9
199.07570	1.3
200.08269	1.9
201.09122	7.8
202.09906	6.2
203.07140	0.9
203.08842	0.7
203.10677	15.9
205.08714	0.6
206.07376	0.5
207.08063	0.8
208.08801	0.7
209.09523	0.7
210.10249	0.6
211.07581	1.3
212.08339	1.9
213.09138	5.6
214.09839	0.7
215.07188	0.5
215.10674	1.7
216.07854	1.8
217.08534	0.7
218.07283	0.5
218.09439	0.7
219.08159	1.4
219.10158	18.0
221.09572	0.7
222.10367	0.5
223.07570	0.6
224.08365	0.7
225.09106	1.2
226.09914	2.9
227.10651	6.8
229.08545	0.6
231.10168	23.8
232.10689	0.5
233.09753	0.5
234.10466	1.0
235.07585	1.0
237.09171	0.5
238.09962	0.9
239.10611	2.0
241.12286	1.6
243.10059	0.7
247.07535	0.7
248.08311	0.8
249.09122	0.7
249.11247	15.8
250.09819	0.8
251.06868	0.6
251.10687	0.9
252.11559	0.7
253.08463	0.7
253.12276	1.0
254.09164	0.5
255.10222	1.3
257.11774	0.8
263.07059	0.6
263.10562	1.0
265.08749	0.4
265.12195	1.1
267.10184	1.2
269.08405	0.4
269.11731	1.4
270.12512	1.5
275.06912	0.4
277.08627	0.6
278.09448	0.9
279.10117	0.7
281.11783	1.8
291.10196	1.4
293.08185	0.6
293.11636	1.3
295.09741	0.7
297.11389	0.8
309.11252	4.9
311.12662	0.9
319.09741	0.8
325.10770	1.1
327.12311	1.2
337.10474	2.9
339.12357	1.6
355.11676	3.9
357.13324	8.8
367.11761	1.2
373.12973	0.7
385.12741	5.6
403.14063	0.8
785.43231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01873	2.7
55.05519	14.5
57.03442	7.0
57.07079	4.2
65.03952	2.0
67.05510	72.5
67.20180	1.6
69.03442	2.3
69.07069	14.0
69.18082	18.3
71.04996	26.1
73.02928	1.8
78.11842	1.9
79.05497	36.5
81.03429	2.1
81.07066	100.0
83.04993	4.0
83.08636	11.9
85.02908	4.2
85.06550	7.1
86.09694	8.9
91.05490	27.2
93.07055	40.4
95.05001	3.5
95.08615	30.4
97.02863	2.5
97.06535	3.7
97.10167	4.0
98.21517	3.3
99.08134	2.3
105.07053	14.7
107.08611	24.9
109.06548	2.2
109.10159	13.3
111.08062	2.6
117.07015	4.3
119.08601	7.6
121.10170	15.7
123.11723	14.6
125.00000	6.2
129.25052	1.8
131.08586	8.4
133.10146	18.9
135.11700	11.9
145.10135	7.2
147.11690	5.9
149.13226	9.1
151.11200	6.5
158.27240	1.7
159.11740	9.0
161.13263	3.1
169.12242	2.2
171.11717	2.1
173.13287	4.1
184.07365	33.5
187.13281	3.7
195.13869	3.4
261.22159	2.5
269.17526	5.1
298.76401	1.6
301.20117	21.8
335.25815	23.3
340.11401	1.6
485.36090	3.4
503.37329	92.3
504.37607	3.6
517.39008	4.6
529.38995	18.0
534.04272	2.0
547.39691	2.9
554.85724	2.0
561.41534	98.7
562.41815	2.7
673.43073	1.9
740.53430	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	759.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67037	0.6
54.05824	0.6
56.96563	5.5
70.39573	2.0
84.96025	3.8
97.02894	0.7
98.21567	0.7
98.97590	55.3
110.97576	26.2
110.98342	1.4
112.99109	1.0
116.98635	16.3
124.99107	2.0
126.82691	0.7
127.00689	1.1
128.97694	1.2
128.98618	21.8
131.00154	1.1
134.99649	2.7
139.00604	0.6
140.98618	5.9
143.00179	11.9
144.98114	0.7
146.99660	6.6
152.98650	4.2
155.00085	0.7
158.01027	0.6
158.98343	0.6
158.99669	28.3
161.01250	6.7
170.99666	42.2
173.01244	1.1
177.00728	12.5
182.99664	23.8
189.00723	27.9
194.99673	0.8
201.00723	57.7
207.01785	2.2
212.02414	0.9
213.00739	4.9
219.01782	39.8
224.02341	0.8
224.77066	0.9
231.01822	5.7
237.02841	17.6
242.03505	1.3
243.01796	26.0
243.04308	1.4
254.99443	2.5
255.03896	1.8
261.02844	100.0
262.03101	1.1
272.06708	0.8
273.00409	2.0
273.02890	7.0
279.03903	39.0
288.95309	0.8
291.03873	15.3
291.06970	1.2
293.05444	0.7
302.05551	1.9
303.04105	0.9
306.96426	1.4
309.04660	0.8
321.04938	31.2
333.04898	4.6
351.05994	9.6
363.06058	1.6
365.87802	0.6
371.78647	0.8
381.07040	16.3
399.08096	10.8
417.04739	94.7
418.04929	0.9
435.05737	5.6
441.09186	84.1
442.09753	1.7
453.09186	1.8
458.07162	1.0
471.10019	2.4
501.11334	9.9
543.12347	4.7
553.03992	1.2
561.13385	1.8
723.18378	4.7
761.79102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01876	5.3
55.05519	26.2
57.03448	16.9
57.07073	3.8
57.71269	2.1
61.02919	6.6
65.03938	4.1
67.05514	83.7
69.03426	3.2
69.06802	2.2
69.07085	24.8
69.85706	8.0
71.04990	4.9
73.02941	2.5
73.25439	1.9
79.05074	3.5
79.05505	55.2
81.03412	6.7
81.07067	73.6
83.04993	16.3
83.08644	13.6
85.02923	7.9
86.09711	5.2
87.09993	1.9
91.03967	2.3
91.05495	47.6
93.07058	69.1
95.04973	13.7
95.08620	49.4
97.02905	9.5
97.06548	7.1
97.10188	4.3
98.20891	2.0
99.04508	2.9
103.05524	2.3
105.07044	31.1
107.04963	15.3
107.08607	38.1
109.06515	5.9
109.10179	27.1
111.04469	14.5
111.08100	5.2
115.05491	1.7
116.94799	1.8
117.07032	21.4
119.07796	2.9
119.08587	23.4
120.05883	1.7
121.06504	5.2
121.10158	31.9
123.04493	2.1
123.08097	5.1
123.11726	5.2
125.09665	3.3
129.07047	5.2
130.07805	1.8
131.04951	3.9
131.08574	19.9
133.06485	1.9
133.10136	20.4
135.08096	4.3
135.11728	29.8
137.09648	3.6
137.13255	2.3
143.08582	6.4
145.06476	3.6
145.10149	29.8
145.55121	2.0
147.08054	3.9
147.11711	11.7
149.09639	7.8
149.13251	5.4
151.11212	4.6
155.08549	4.7
157.10156	4.7
159.11749	10.4
161.09599	4.5
161.13272	6.0
163.11192	15.5
169.10164	3.9
171.11745	4.7
173.09633	11.5
173.13258	9.7
175.14839	2.2
181.10094	2.2
181.12338	2.0
183.11678	2.5
184.07373	2.9
184.12476	2.5
185.09665	1.9
185.13211	3.3
187.11189	2.9
187.14828	3.6
191.10710	9.2
193.12267	2.5
197.13394	2.6
201.12759	2.6
209.11710	22.5
227.12830	5.1
227.16293	3.1
229.14305	2.6
243.20993	2.7
253.14415	6.5
255.15808	3.4
259.20551	5.0
261.22235	10.1
273.22034	4.0
277.21829	2.5
283.15427	81.3
285.16827	3.5
301.16486	10.9
301.21692	2.7
315.23138	6.3
333.24197	4.4
335.25806	66.9
363.25543	2.3
373.24063	2.5
376.33554	2.1
391.25009	2.4
421.25964	2.2
423.32312	2.7
433.31027	7.9
451.32214	19.1
469.32947	11.8
487.34201	4.6
507.34515	3.7
515.37457	2.7
525.35895	21.9
543.36865	100.0
544.37024	4.2
561.37970	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	758.469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.5
53.98859	1.8
54.23186	1.2
55.01876	10.6
55.05277	1.5
55.05519	22.8
57.03447	17.0
57.07086	2.5
61.02913	4.5
64.01614	1.4
65.03937	3.1
67.05512	78.7
69.03432	3.2
69.07073	20.4
69.89436	6.6
70.07402	1.7
71.01355	2.2
71.04984	6.0
73.02897	2.5
79.05501	57.5
81.03421	18.1
81.07064	72.7
83.01338	3.9
83.04986	19.4
83.08633	12.4
85.02920	9.4
85.06537	2.6
90.30854	1.2
91.03969	1.6
91.05483	37.0
93.07053	75.0
95.04987	14.2
95.08617	54.1
95.09237	1.7
97.02904	13.7
97.06545	11.3
97.10176	7.1
99.04448	2.0
99.08100	3.2
105.04473	2.0
105.07045	24.5
107.04971	15.5
107.08604	42.8
109.02844	1.4
109.06519	6.2
109.10171	24.9
111.04449	12.3
111.08096	6.9
117.07027	16.9
119.07806	2.1
119.08591	25.0
121.06496	4.9
121.09340	2.6
121.10160	32.5
123.08092	6.8
123.11696	5.7
125.09660	3.5
127.03860	1.7
129.06999	6.7
130.07802	2.2
131.08575	17.4
133.06427	1.5
133.10147	16.6
135.08086	3.6
135.10709	2.3
135.11703	30.7
137.09631	3.9
139.11186	1.5
143.08574	4.0
145.10150	28.3
147.07986	3.3
147.11691	7.8
149.09604	6.5
149.13251	9.5
151.11134	2.7
153.12756	12.9
155.08537	4.0
157.10109	3.7
159.11688	7.0
159.90990	1.7
161.13266	6.3
163.11205	28.9
169.10167	2.4
171.11734	2.4
173.09605	7.7
173.11967	1.5
173.13258	8.2
175.14803	3.6
181.10028	1.8
181.12303	7.0
184.07320	2.9
185.13342	1.9
187.14772	3.1
189.11253	2.2
191.10635	9.4
209.09776	2.3
209.11742	34.0
211.14735	1.6
227.12773	16.5
243.21082	6.7
253.14291	3.0
259.20630	2.6
261.22189	13.9
265.14444	2.0
277.21503	1.9
283.15414	54.5
283.18509	3.1
299.23697	2.6
301.16476	56.9
315.23331	2.3
317.24683	2.7
333.24155	1.9
335.25827	100.0
336.26022	3.0
373.81744	1.7
433.31009	6.7
451.32220	11.7
469.33243	9.1
487.33966	2.8
515.37042	2.3
525.35773	18.4
526.36475	2.3
543.36884	85.2
544.36572	2.1
561.37903	51.8
623.78369	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
55.01880	9.3
55.05516	21.2
55.98845	1.4
57.03444	21.4
57.07054	1.6
61.02922	4.5
65.03941	4.8
67.05511	73.2
68.93946	1.3
69.03448	3.2
69.07072	19.6
71.01338	2.7
71.04991	5.7
71.36532	3.1
73.02918	1.5
74.02465	1.4
79.05500	62.5
81.03420	22.7
81.07062	70.0
81.90121	1.4
83.01350	2.8
83.04987	15.3
83.08637	13.0
85.02910	11.5
85.06559	2.4
86.09717	2.4
91.05486	36.9
93.07051	77.3
93.71606	1.3
95.04978	12.3
95.08620	52.2
95.09251	2.6
97.02908	11.8
97.06538	10.2
97.10161	5.5
99.04464	3.0
99.08102	2.0
105.04526	1.6
105.07033	23.0
107.04395	1.8
107.04985	16.5
107.08601	40.4
109.02903	2.2
109.06510	5.2
109.10163	23.2
111.04461	9.5
111.08083	5.6
111.11710	2.5
117.07027	15.8
119.08597	22.0
121.06512	4.4
121.10156	38.0
123.08080	6.5
123.11738	7.3
125.06007	2.9
125.09612	3.7
129.07014	2.1
131.04839	1.5
131.08575	15.8
133.10144	12.5
135.08063	3.4
135.10710	2.0
135.11700	32.1
135.22594	1.4
137.09579	3.6
139.11188	6.4
143.08577	2.8
145.10135	29.2
147.08063	3.3
147.11720	7.2
149.09608	3.1
149.13268	5.4
151.11163	2.6
153.12747	12.9
155.08583	3.6
159.11690	6.8
161.13254	4.7
163.11192	31.9
163.14854	3.2
165.12726	1.7
171.11708	1.6
173.09622	6.3
173.13263	5.1
175.14893	2.9
181.12241	7.4
184.07335	4.6
187.14780	2.3
191.10725	12.0
209.11722	34.2
209.13647	2.3
223.70114	2.0
227.12773	18.4
243.21133	5.9
245.13943	9.8
259.20557	2.3
261.22137	17.7
265.14297	5.9
269.80151	1.4
278.18857	1.7
278.21765	1.6
283.12396	2.8
283.15408	33.7
301.16476	77.7
317.24945	3.7
335.25821	100.0
336.26230	3.4
351.01175	1.5
433.30685	2.4
451.31961	5.0
469.33029	3.2
507.34430	1.9
525.35425	9.6
543.36853	54.2
561.37885	98.6
562.38232	3.7
744.30060	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01875	1.8
57.95605	0.2
59.63261	0.2
65.03940	0.5
67.05507	0.9
68.99797	0.6
69.03471	0.3
70.22018	0.2
71.03180	0.4
77.03941	0.7
79.05502	2.4
81.03424	4.9
81.07059	0.3
82.73770	0.2
83.04995	1.1
85.02937	0.4
89.03961	0.2
91.05501	1.3
93.03384	0.3
93.07047	0.7
95.04971	0.9
95.08598	0.3
97.02921	1.7
98.98605	0.2
102.04685	0.3
103.05466	1.3
105.03409	0.9
105.04515	0.3
105.07059	0.4
107.04969	0.8
109.02890	0.4
111.04472	0.7
115.05469	5.9
117.07029	2.7
119.04926	0.2
121.02857	0.4
121.06549	0.3
123.04466	0.9
125.02363	5.0
128.06218	2.5
129.07014	9.5
130.04147	0.4
131.04935	2.1
131.08646	0.4
133.06549	0.3
135.04428	100.0
135.11661	0.3
136.04773	0.8
137.02409	0.6
137.05977	0.9
138.03189	0.2
139.03943	0.5
139.05444	0.6
141.06998	0.6
143.04933	2.7
145.06496	4.1
147.04478	0.4
149.02348	3.4
151.03937	3.7
151.07494	0.5
152.06252	0.5
153.07022	2.2
154.07820	0.3
155.03410	6.1
155.06058	0.5
155.83476	0.2
156.05714	1.0
157.06508	10.7
159.04442	2.2
160.05211	2.2
161.05968	1.7
163.03931	1.0
165.01880	0.2
165.05511	1.0
165.07024	0.6
166.02620	0.5
167.03418	1.9
167.04927	1.0
167.08568	0.6
169.06482	0.5
172.05238	1.2
173.06000	42.7
174.06546	0.3
175.03947	1.1
175.07564	0.8
178.07635	0.4
179.03395	2.2
179.08623	0.8
180.05728	0.5
181.05070	0.4
181.06491	6.0
183.08051	0.3
184.07475	0.5
185.06004	8.6
186.06776	4.9
187.03940	0.8
187.07559	7.8
189.05461	2.2
189.07040	1.0
190.07732	0.6
191.03383	0.8
191.08580	1.7
193.06523	0.7
194.07240	0.3
195.08138	1.0
197.05984	3.6
198.06705	0.3
199.03819	0.3
199.07584	1.0
201.05463	1.7
202.06242	0.5
203.07048	15.6
205.08531	0.5
206.07143	0.3
207.08032	1.3
209.04390	0.4
209.06049	0.7
210.06825	1.2
211.07552	3.4
212.08221	0.4
213.05492	0.7
214.06187	0.4
215.07054	14.8
216.07565	0.5
217.04814	0.4
217.06541	0.6
219.06274	0.5
219.08241	1.4
221.06075	0.5
222.06772	0.5
223.07578	1.8
225.05461	0.7
225.09019	1.1
227.07025	0.5
231.06538	0.5
233.08102	11.6
235.07568	2.2
236.08340	0.5
237.09128	0.8
238.06169	0.3
239.07016	0.9
241.08469	0.3
247.07541	1.4
248.08119	0.3
249.05327	0.4
249.09114	0.7
251.07074	1.3
252.95496	0.2
253.04932	0.4
253.08641	0.7
254.09370	0.9
261.05417	0.3
262.06302	0.4
263.07117	1.8
265.08624	1.4
267.06403	0.3
269.04468	0.3
275.06949	1.4
277.08585	1.1
278.05814	0.3
279.06531	0.8
281.04529	0.5
281.08163	0.5
282.05267	0.4
283.05890	0.6
291.06491	0.9
293.08075	4.2
295.06030	0.4
295.09607	0.7
303.06500	0.5
304.07391	0.4
305.08063	0.6
307.05728	0.2
309.07483	1.3
311.09015	0.7
321.07626	3.1
322.08359	0.5
323.09280	1.4
325.10730	0.6
333.07544	0.6
335.09055	0.8
339.08624	2.1
340.09390	1.3
341.10229	4.6
351.08609	1.7
353.10223	1.0
354.51221	0.3
355.11816	0.5
358.71829	0.2
369.09689	3.3
387.10468	0.7
497.90002	0.3
757.23645	0.3
770.76538	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.3
56.05034	0.6
57.07077	0.2
58.06368	0.3
58.06628	0.5
58.32903	0.2
60.08171	5.6
63.55777	0.2
67.05533	0.3
71.07381	3.2
71.08652	0.3
71.44090	0.4
79.05483	0.3
81.07108	0.3
86.09715	30.6
91.05442	0.2
93.07027	0.3
95.08592	0.4
98.98473	3.5
104.10767	1.5
125.00019	20.0
131.08582	0.3
184.07359	100.0
185.07657	0.5
264.17874	0.3
269.12292	0.2
273.28912	0.2
361.59009	0.2
496.33636	0.3
500.33179	0.2
657.20203	0.3
756.55396	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	756.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.8
57.07078	0.3
58.06614	0.5
60.07888	0.4
60.08169	5.9
62.51206	0.2
67.05501	0.6
69.07069	0.3
69.17686	0.2
69.80299	0.2
71.07373	3.1
71.53032	0.2
71.53491	0.3
79.05539	0.2
81.07056	0.5
81.10376	0.2
86.09709	27.3
89.77903	0.2
91.05467	0.4
93.07060	0.2
98.98470	2.9
104.10756	1.9
115.49891	0.2
125.00011	18.6
166.02649	0.2
184.07347	100.0
185.07690	0.4
189.16046	0.3
457.95410	0.3
670.65680	0.3
756.55524	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	757.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.3
54.76623	0.1
55.01885	1.2
57.03446	0.7
61.02936	0.7
68.99788	0.6
69.03088	0.3
69.03436	3.8
70.06599	0.3
71.05014	0.7
71.52950	0.1
73.02908	0.7
81.03427	4.9
83.42660	0.2
85.02919	7.8
87.00837	3.2
87.04485	0.2
91.03986	0.3
97.02907	2.9
99.04469	1.4
105.01871	2.1
109.02889	4.4
110.11070	0.1
117.01840	0.8
121.02892	0.3
123.04420	0.4
127.03934	5.6
129.01859	0.5
133.02824	0.2
134.03610	0.2
137.02444	0.2
137.06003	0.3
139.03894	0.3
144.69859	0.1
145.04965	1.9
146.03604	0.2
147.02863	0.3
147.04373	0.3
149.02361	0.2
151.03960	0.8
156.04243	0.3
159.02922	2.1
163.03975	0.2
167.03424	0.2
169.01373	0.3
169.05000	0.3
182.02147	0.3
183.02910	6.4
194.16924	0.1
195.02936	0.3
199.02376	0.2
200.03229	0.2
202.06427	0.2
213.04001	0.2
231.04858	0.8
233.04442	0.2
243.02898	0.2
244.03790	0.3
245.04497	0.3
258.05307	0.7
259.06168	1.0
261.03897	0.8
272.03180	0.5
273.03955	0.8
275.05389	0.3
276.06296	0.6
286.04785	0.4
287.05576	0.9
289.03360	0.9
291.08801	0.3
300.02722	0.9
301.03467	4.0
301.06665	0.2
303.05042	1.4
304.05801	1.9
313.07065	0.2
314.04254	0.7
315.05014	2.3
317.02762	0.7
322.90808	0.2
331.04666	0.7
332.05292	14.0
337.07040	0.2
345.06091	0.2
347.07645	100.0
348.08060	2.2
509.12976	18.6
510.13257	0.6
595.13287	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81984	0.6
55.01879	3.4
55.05517	14.8
57.03443	8.2
59.04980	1.1
67.05510	16.2
69.03393	2.5
69.07067	4.1
70.46266	1.1
70.46658	1.8
71.05000	3.7
79.05499	17.0
81.03425	44.2
81.07067	16.3
83.04989	3.7
83.08630	13.9
85.02894	1.5
85.06526	1.5
91.05485	13.4
93.07056	13.8
95.04980	18.8
95.08618	7.6
97.02870	1.5
97.06512	2.3
97.10175	15.3
99.04411	0.8
99.08058	0.8
99.79796	0.6
103.05466	0.8
105.06396	0.9
105.07037	9.9
107.04301	0.9
107.04968	11.4
107.07992	0.8
107.08598	10.1
109.06518	8.7
109.09593	0.5
109.10185	5.9
111.04402	2.1
111.08082	4.6
115.05443	1.1
116.89857	0.7
117.07040	4.5
119.04926	1.2
119.08605	8.3
121.05672	0.8
121.06513	9.9
121.10151	7.8
123.04436	1.1
123.08053	4.1
123.11668	2.2
125.06016	0.8
125.08775	1.1
125.09641	13.7
128.06195	0.9
129.07024	6.3
131.04898	2.4
131.08583	8.6
133.06454	2.9
133.10141	5.2
135.08087	4.4
135.08951	0.8
135.11684	1.8
137.05946	1.3
137.09612	1.5
139.11188	1.2
141.07027	1.2
142.07750	1.5
143.08528	2.7
143.10654	1.0
145.06511	5.9
145.10123	4.9
147.04506	1.3
147.08093	4.6
147.11722	4.9
149.09618	4.1
151.11130	1.1
153.09145	3.0
153.12782	1.0
155.08525	2.2
157.06473	1.8
157.10135	6.7
159.08047	2.0
159.11693	1.2
161.05928	1.2
161.09596	2.0
163.11247	4.1
165.09154	0.7
165.12689	1.5
167.08563	0.8
167.10674	1.5
169.06380	1.0
169.10101	1.5
171.08098	1.6
171.10179	1.3
171.11644	1.9
173.09573	1.9
173.13202	1.2
175.07538	0.7
175.11209	6.3
177.12782	1.6
181.10127	1.0
183.08014	0.7
183.11606	1.1
185.09599	1.1
187.11211	1.3
187.14853	1.2
189.09229	1.1
189.11194	6.3
189.12813	1.5
191.10713	1.1
191.14264	1.4
193.12263	16.1
195.11761	1.9
195.13844	0.8
197.13287	2.0
199.11151	1.6
201.12628	1.0
203.14381	0.8
205.12204	1.7
211.13210	1.0
213.12704	1.5
215.14346	2.7
217.12233	1.3
219.13770	2.8
223.11320	1.0
223.13293	1.4
225.12871	0.7
227.12750	2.2
231.13882	1.1
233.15388	5.9
235.13310	1.2
237.12735	1.3
239.14120	0.7
241.12086	0.9
249.14871	1.8
251.55411	0.6
255.13811	2.3
259.13345	1.7
267.15939	38.6
273.14731	6.6
275.16391	0.8
293.17548	1.2
321.22202	0.8
339.23193	2.5
349.21692	4.7
357.24326	2.6
367.22668	13.0
385.18781	1.3
385.23782	20.9
403.24930	5.6
405.24490	1.0
433.25916	0.7
441.26483	8.0
459.27460	100.0
460.27786	2.7
477.28513	95.9
478.28864	2.8
491.30106	11.9
501.28394	2.0
509.31320	6.4
541.33228	0.8
543.29596	0.8
567.29340	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	753.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.9
55.01868	1.9
55.05506	2.0
57.03425	1.0
65.03946	1.9
67.05519	3.4
69.03425	6.0
69.07074	6.0
69.15198	5.2
69.15599	1.1
70.06590	1.7
71.04991	2.3
73.02939	1.0
73.06567	0.6
79.05505	7.4
81.03421	6.6
81.07065	5.4
82.57584	0.6
83.04990	5.5
83.08625	0.6
84.08159	0.8
85.02913	4.7
85.06561	1.0
91.05494	10.2
93.07063	5.9
94.04194	3.0
95.04973	3.6
95.08591	2.0
97.02908	3.5
97.06539	11.2
99.04472	5.9
99.08138	0.7
101.59821	0.5
103.05489	3.7
105.07037	16.6
107.04953	3.8
107.08591	4.1
109.02885	3.1
109.06516	3.7
109.10120	0.6
111.04446	1.7
111.08097	0.9
113.06017	0.9
115.03990	0.7
115.05485	3.2
115.07606	0.8
117.07043	3.9
119.04959	3.0
119.08604	4.7
119.94768	0.6
120.08124	0.7
121.02884	0.6
121.06503	8.2
122.03658	7.3
123.04504	1.0
123.08074	1.0
125.06013	8.6
127.03944	3.8
128.06236	2.6
129.07018	4.4
130.07828	1.5
131.04947	5.0
131.08572	8.2
132.05721	1.6
133.06503	5.0
133.10110	2.5
135.04414	1.2
135.08038	1.1
137.05991	100.0
138.06326	1.1
139.03979	0.7
139.05519	0.7
139.07520	1.5
141.06978	2.1
142.07755	1.1
143.04906	0.7
143.07037	5.5
143.08588	6.6
144.05743	0.8
144.09332	1.0
145.06490	3.0
145.10146	17.5
146.03726	0.7
147.04390	0.8
147.08078	2.3
147.11650	0.8
149.05984	2.5
149.09612	1.3
151.03911	2.9
151.07581	8.7
152.06244	0.7
153.07031	1.3
154.07779	0.9
155.08556	1.9
156.09419	1.0
157.06494	1.2
157.10109	1.8
158.07283	2.2
159.08098	4.6
159.11728	5.7
160.05237	1.3
161.06003	9.6
161.09647	1.8
163.07555	9.8
163.11183	7.3
165.05820	0.7
165.07004	3.9
165.09122	0.7
166.07877	1.3
167.07124	1.0
167.08606	1.6
169.06500	1.0
169.10129	2.2
171.08101	2.1
171.11699	1.5
172.05202	1.1
172.08846	1.1
173.06032	0.8
173.09648	11.1
173.13263	0.8
174.06810	0.9
175.07571	17.4
177.05472	1.7
177.09167	2.4
177.12639	0.7
178.07742	0.9
179.07169	1.1
179.08575	2.6
181.06525	1.2
181.10059	1.4
182.07323	1.5
183.08093	1.0
183.11707	2.3
185.06090	0.6
185.09605	1.1
187.06036	1.0
187.07558	6.8
187.09073	0.7
187.09396	0.8
187.11194	10.6
189.07224	1.0
189.09125	3.4
190.07813	1.0
191.08618	5.3
191.10692	6.2
191.32268	0.7
193.06534	4.3
194.07326	3.8
195.08031	1.8
197.05956	0.7
197.09644	2.2
197.13336	3.1
199.07578	5.8
201.09113	2.0
201.12682	1.4
202.07813	1.9
203.06975	1.1
203.08601	3.8
203.10561	1.4
205.06570	2.0
205.12256	6.9
206.07289	1.2
207.08096	2.1
208.08939	1.0
209.06000	0.8
209.09746	1.1
209.11549	0.9
210.06778	1.9
211.07547	2.8
211.11183	1.1
213.09119	2.4
215.07036	0.8
215.10689	12.0
217.08516	1.0
218.07312	2.4
219.08099	7.7
220.08813	1.8
221.06010	4.9
221.09474	0.7
222.06772	2.8
223.07530	1.4
223.11244	1.0
224.08284	1.3
225.09126	5.2
225.12788	1.9
227.07077	1.5
227.10754	2.4
229.12227	1.1
230.15388	0.6
231.08087	4.8
232.08838	0.9
233.09641	1.4
233.11737	6.3
234.06729	0.9
235.07646	2.1
235.11113	1.1
236.08235	1.6
237.09193	2.8
238.06355	1.0
239.06911	1.1
239.10725	2.2
243.10196	0.8
243.13875	2.4
245.09763	1.0
247.07610	3.9
247.11256	0.8
248.08415	2.6
249.09090	1.5
251.10675	10.4
251.12929	1.1
252.07759	1.3
253.08536	4.2
253.12207	1.8
255.06711	0.9
257.11929	1.3
259.07553	2.2
260.08282	1.4
261.09122	1.9
262.09976	0.8
263.07147	0.6
263.10748	3.3
264.07855	1.6
265.08655	7.7
265.11792	1.2
266.09369	0.8
267.10193	4.2
271.13446	1.2
274.10092	0.8
276.07932	1.9
277.08655	2.0
277.12204	0.9
279.10132	7.6
281.08063	1.1
281.11804	0.9
282.08798	0.7
283.09412	0.8
285.11258	16.3
285.67972	0.6
289.08752	1.0
289.14587	1.0
291.10098	5.9
292.11035	1.1
293.11871	0.7
295.09766	0.9
295.13538	0.8
297.11261	11.7
299.12851	4.1
303.10468	1.1
305.11691	0.7
307.09634	1.2
308.10464	1.0
309.11255	2.5
310.12015	0.8
311.12823	14.2
315.10004	0.8
317.11841	0.7
321.11288	2.1
323.12839	9.0
325.14447	1.4
329.11707	0.8
333.11227	1.0
335.12781	1.8
337.14612	1.1
339.12442	0.7
341.14172	0.8
343.13315	1.0
345.14969	0.7
347.12747	1.4
347.16794	0.7
351.16049	1.0
355.13229	1.4
357.14590	0.7
359.12796	1.4
361.18317	0.8
367.13300	0.9
375.12051	0.8
375.16199	1.1
385.14041	0.8
387.15866	1.1
389.17490	1.4
391.19250	1.4
393.13559	0.9
395.16986	3.0
401.17657	1.3
413.18375	1.3
419.19064	1.1
421.16684	0.8
423.17694	1.0
433.16733	0.9
435.18347	1.4
437.19226	0.8
447.18045	1.9
449.19250	1.1
459.17633	1.1
461.19714	1.3
485.22440	0.8
493.19617	0.8
497.23071	1.1
501.22827	2.0
515.24744	3.0
519.23676	1.2
525.22485	2.0
527.24329	0.9
537.22742	1.0
543.23975	3.9
557.25269	0.8
561.24762	2.2
573.24670	1.4
581.24011	0.7
623.27325	0.7
625.27924	0.9
651.25287	1.0
659.28406	0.9
669.27185	2.0
677.28528	0.7
687.27618	1.8
705.28766	2.5
735.29242	0.7
753.29980	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01862	0.5
55.05502	1.7
57.03430	2.0
57.07076	1.7
60.41005	0.5
61.02927	4.7
66.04789	0.5
67.05177	0.7
67.05510	6.6
69.03446	2.9
69.07066	1.9
71.01355	1.0
71.04996	1.9
71.08635	1.4
71.52556	0.9
73.02934	3.7
79.05498	3.9
81.03424	4.3
81.07057	4.1
83.04982	0.7
83.08606	1.9
85.02916	5.6
85.10200	0.6
87.04488	0.7
91.03960	3.3
91.05482	2.9
93.07043	4.7
95.04950	1.1
95.08615	4.4
97.02884	4.2
99.04468	1.4
101.02378	1.8
103.03957	0.7
105.07029	1.6
107.08598	2.1
109.02901	0.9
109.10172	3.3
111.08135	0.6
115.03984	0.7
117.07052	0.6
119.08582	1.7
121.10164	1.6
127.03913	2.1
133.10144	1.0
135.11703	1.9
137.09660	0.6
145.10187	0.7
145.83575	0.5
147.11705	0.6
149.09605	0.5
173.13235	0.6
185.04262	0.7
193.12303	1.7
195.00304	1.1
201.43684	0.5
243.08498	1.6
253.14140	2.2
267.15967	2.6
313.27472	3.4
335.25961	1.2
340.33121	0.5
347.43524	0.5
432.96585	0.5
471.22076	5.0
487.33957	1.1
505.38953	1.7
519.29358	8.8
659.35645	1.1
749.44495	100.0
750.45129	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	752.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
53.89019	1.3
54.53570	1.4
55.01856	1.3
55.05516	8.0
57.03440	12.7
57.06836	1.8
57.07087	24.9
65.37410	1.2
67.05518	12.6
69.03424	1.8
69.07069	8.5
69.74547	4.3
69.74956	1.7
70.06577	2.0
71.04966	1.9
71.08636	19.9
79.05499	8.8
81.03426	57.4
81.07069	17.3
83.04990	2.5
83.08627	19.0
85.10189	10.8
89.06049	2.3
91.05486	11.2
93.07045	5.1
93.20385	1.2
95.04972	17.8
95.08620	18.0
97.02879	1.8
97.06554	1.4
97.10184	7.6
105.07058	7.3
107.04960	2.6
107.08601	2.7
109.06490	2.0
109.10152	8.6
111.08046	5.8
115.05467	1.3
116.07080	2.3
119.08578	7.3
121.06473	1.9
121.10161	4.4
123.04456	1.7
123.08099	1.3
123.11704	2.4
128.87962	1.2
129.07001	5.6
131.08583	3.8
133.06520	2.0
133.10123	3.3
142.07802	1.6
145.10107	1.9
147.08075	2.1
147.11700	4.4
149.09665	3.2
157.10161	9.2
175.11217	7.1
184.07251	1.3
193.12265	20.5
215.40002	1.3
239.23697	2.0
257.24719	1.4
267.15936	100.0
309.16766	1.4
313.27383	91.8
314.27899	2.1
505.38937	75.6
506.39270	3.2
547.39734	3.7
623.27942	1.8
631.42590	1.9
743.81464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3776
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03934	0.8
55.01879	0.5
55.05511	0.8
57.03432	1.6
59.05012	0.4
61.02933	3.9
67.05513	2.7
69.03432	2.6
69.07076	1.1
70.06604	2.2
71.01373	0.8
71.04992	2.0
71.53001	0.6
72.08160	0.7
73.02920	3.8
79.05499	3.4
81.03418	5.8
81.07057	3.9
83.08634	1.4
84.08152	0.6
85.02914	4.6
86.09750	0.5
87.04465	0.6
91.03976	2.6
91.05496	3.8
93.07037	3.8
95.04974	2.0
95.08634	1.5
97.02897	4.3
97.06553	1.5
99.04462	1.1
99.52701	0.4
101.02378	1.6
103.03918	0.7
103.05444	0.5
105.07034	3.2
107.04964	1.0
107.08625	1.5
109.02898	1.0
109.06523	0.5
109.10181	0.5
111.04456	0.6
111.08100	0.7
116.07081	2.2
117.07030	0.8
119.08583	2.1
121.06510	0.6
121.10158	4.2
127.03966	1.7
129.07069	1.2
131.04912	0.6
131.08560	1.9
133.10188	1.9
137.05989	4.6
139.11237	0.9
142.07765	0.6
145.10201	0.5
147.11717	1.8
149.09566	2.5
151.07588	3.2
157.10193	1.4
161.05995	0.6
161.09686	0.5
163.03897	0.7
165.09138	0.6
167.07103	1.0
175.07556	0.6
175.11206	1.1
187.07550	0.5
189.09351	0.5
193.12218	2.4
201.09120	0.7
203.05312	0.5
203.10678	0.5
219.10164	0.7
225.11023	0.5
225.14972	1.0
233.32265	0.4
243.08476	2.7
251.12627	0.5
253.14104	0.6
259.09698	0.4
267.15967	1.4
269.13736	1.5
283.15222	4.5
329.32791	0.5
339.17941	1.1
425.18069	0.5
443.18930	7.1
465.08630	0.5
469.20523	3.5
487.21530	8.0
501.23105	17.0
585.33026	0.7
637.77533	0.4
657.31372	0.8
703.35059	3.5
729.36432	1.7
747.37769	100.0
748.38275	4.6
760.39319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01873	5.1
55.05505	1.0
57.97538	0.8
65.03934	1.6
65.78829	1.0
70.77065	2.4
72.08141	2.6
79.05484	2.6
81.03411	3.9
81.07032	1.0
83.04971	2.4
85.02906	0.9
91.05498	4.9
92.33404	0.9
93.03424	0.9
93.07081	0.9
94.04167	2.2
95.04975	1.4
97.02857	1.2
103.05458	3.0
105.06993	2.1
107.04993	1.9
109.02872	2.2
109.06512	0.9
111.04440	1.9
115.05459	5.7
117.07017	3.9
119.04942	1.6
121.02891	0.9
121.06513	2.9
122.03643	3.8
123.04445	4.9
125.02371	1.7
125.03321	0.8
125.06043	1.2
128.06210	4.6
129.07018	7.1
131.04947	5.8
131.08580	1.0
131.22447	0.9
133.06497	1.9
135.04405	2.5
137.02356	3.0
137.05984	62.5
138.06355	1.7
139.03915	1.0
140.06215	1.1
141.07022	2.1
143.04936	3.4
143.08455	1.0
144.05637	1.7
145.06499	18.3
146.07272	5.4
147.04414	1.7
147.08038	1.3
149.05974	1.3
151.03934	6.3
151.07552	15.4
152.06244	1.3
153.07014	1.1
155.06029	1.1
156.05705	1.7
157.06499	14.1
158.07286	5.6
159.04388	2.6
159.08073	6.9
160.05226	4.7
160.08830	1.9
161.05997	6.5
162.06747	3.4
162.20110	1.0
162.21709	0.7
163.03891	3.2
163.07489	2.5
165.01822	2.1
165.05489	3.3
165.06824	1.0
169.06487	2.0
170.07289	1.0
171.04372	1.8
171.08029	2.9
172.05147	1.4
172.08829	8.6
173.05988	7.6
173.09541	1.1
174.06760	6.8
175.03889	1.4
175.07561	20.6
176.08340	5.3
177.05301	1.1
177.09131	8.4
179.03464	1.1
179.06990	1.8
181.06529	2.8
182.07193	1.4
183.08015	1.9
184.08931	1.2
185.05925	3.7
186.06830	1.4
187.07544	11.8
188.08330	14.9
189.09120	100.0
190.09564	1.7
191.03438	1.0
191.10655	3.4
193.04900	2.0
195.08080	2.0
196.08736	1.9
197.05972	1.9
198.06712	1.8
199.07523	1.7
200.08310	2.3
201.05446	2.5
201.07277	1.8
201.09108	27.1
202.09842	5.0
203.10674	31.1
205.06754	0.8
205.08578	4.7
207.08023	1.9
208.08798	1.8
209.04480	1.9
209.09636	1.5
211.07544	2.9
212.08354	1.7
213.09068	7.5
215.10725	5.3
217.08627	3.6
218.07257	1.2
219.08061	4.9
219.10172	4.2
221.05951	1.6
221.09619	1.8
221.11670	1.4
223.07527	2.0
224.08270	2.4
225.05563	1.8
225.09082	3.8
226.09758	1.0
227.07069	1.9
227.10620	4.0
229.04961	2.1
229.08568	2.1
231.08174	1.6
231.10168	23.3
232.08815	1.6
235.07570	2.9
235.09645	1.9
236.08179	1.3
237.09164	3.0
238.09854	1.7
239.06937	2.1
239.10742	4.5
240.07890	1.5
241.08580	11.3
242.09265	1.5
247.07484	3.4
248.08290	2.5
249.09019	2.3
249.11226	12.2
251.07086	1.0
251.10666	3.5
253.08601	3.7
253.12178	1.4
254.09372	2.2
255.06564	3.0
255.10098	5.2
256.07516	1.1
257.11752	1.4
259.07535	1.5
261.09079	1.6
262.09821	2.1
263.07007	2.5
263.10641	3.1
264.07938	1.2
265.08578	2.9
265.12140	1.6
266.09229	1.3
267.06659	1.4
267.10104	4.6
269.08041	3.1
269.11722	1.2
275.07184	1.1
276.07715	1.2
277.08557	4.7
278.09293	2.4
279.10153	5.5
280.10870	1.5
281.08167	1.9
281.11740	3.3
283.06500	0.9
283.09641	3.2
289.08597	2.3
291.10190	6.7
292.11020	1.4
293.07959	2.5
293.11673	2.4
295.09637	4.8
297.11099	2.0
303.10080	1.5
305.08145	1.6
307.09705	5.8
308.10403	1.9
309.11026	4.6
313.10666	2.1
319.09598	3.3
320.10364	3.2
321.07648	2.0
321.11176	6.9
323.09323	1.5
325.10748	2.5
333.11227	2.0
337.10706	4.4
338.11331	2.4
339.12189	2.9
349.10864	1.1
350.11557	1.3
351.12161	2.6
355.11758	3.9
367.11871	1.3
369.09290	1.0
369.13342	3.8
422.20917	0.9
433.12823	1.1
445.12769	1.7
447.14740	1.0
459.14279	1.0
463.14343	1.1
475.14285	1.1
479.14941	1.1
480.91074	0.9
487.13599	1.5
497.15747	1.4
505.14835	3.2
509.15594	1.2
527.16626	1.4
535.15564	1.3
557.17847	1.4
603.20203	1.6
605.21698	1.3
609.19983	1.0
615.19873	2.0
633.21613	4.0
635.22137	1.7
645.20892	2.7
651.22168	3.1
663.22473	4.3
681.22870	3.9
693.22925	2.5
711.24512	7.2
729.24939	2.8
776.24542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.5
55.05511	1.8
65.03933	1.3
67.05505	1.6
68.76707	0.9
69.93383	4.8
72.08158	1.5
79.05481	2.8
81.03408	3.3
81.07063	1.6
83.04985	2.5
86.72128	0.8
91.05474	4.4
93.07036	1.4
94.04180	2.2
95.04958	1.6
97.02888	1.3
98.20711	1.2
99.25998	0.9
103.05469	2.4
105.07037	2.6
107.01285	1.2
107.04957	3.2
109.02881	2.8
109.06488	1.4
111.04455	3.2
115.05462	5.2
117.07013	4.9
119.04964	1.7
121.06499	3.2
122.03640	4.2
123.04442	3.5
124.63815	1.0
125.05988	1.7
128.06236	4.4
129.07016	10.0
129.20302	1.0
131.04926	8.3
131.08577	2.1
133.06473	1.5
135.04436	3.2
137.02312	3.0
137.05983	69.0
141.07034	1.7
143.04922	3.8
143.08566	1.1
144.05713	1.7
145.06497	20.1
146.07268	6.2
147.04420	2.1
147.08012	1.2
151.03911	6.7
151.07555	16.8
153.01822	1.0
153.05513	1.8
153.06935	1.2
157.06516	14.7
158.07254	7.6
159.04396	2.1
159.08070	6.3
160.05219	6.6
160.08768	2.5
161.06033	5.3
162.06763	4.4
163.03925	4.7
163.07550	2.2
165.01888	1.4
165.05457	3.3
165.06963	2.1
165.09079	1.8
169.06393	1.1
170.07314	1.0
171.08072	2.3
172.05234	1.9
172.08856	12.0
173.05983	7.3
174.06792	8.6
175.07552	25.2
176.08328	5.9
177.09137	10.8
179.07063	2.9
179.08595	1.9
180.05759	1.2
181.06445	3.2
182.07307	2.1
183.08073	1.5
184.08939	1.1
185.06003	3.4
186.06786	1.7
187.07565	13.9
188.08351	16.7
189.09122	100.0
191.10698	3.7
193.05040	1.0
195.08012	3.3
196.08881	2.8
197.06026	2.3
198.06770	2.5
199.07484	2.1
200.08368	2.0
201.05440	1.8
201.09117	34.3
202.09904	7.2
203.07016	2.9
203.08842	1.4
203.10675	33.4
204.07742	0.9
205.06660	2.1
205.08603	5.8
207.08110	1.8
208.08861	1.8
209.09514	1.3
210.06873	1.3
211.07538	3.4
212.08304	2.0
213.05446	1.7
213.09113	10.4
215.10674	6.3
216.07872	1.3
217.08636	5.9
218.07295	1.6
219.08052	4.1
219.10175	4.9
220.08856	1.2
221.06171	1.0
221.09644	1.8
221.11714	2.0
223.07603	1.6
224.08284	2.9
225.05501	1.5
225.09096	6.0
226.09859	2.3
227.07024	2.4
227.10709	4.0
229.04982	1.9
229.08571	2.3
229.12241	1.4
231.08090	2.2
231.10168	24.0
232.08772	1.8
233.09703	1.6
233.11751	1.3
234.06813	1.5
235.07599	3.4
235.09671	1.6
236.08328	1.5
237.05412	1.3
237.09120	3.2
238.09897	1.6
239.07068	2.5
239.10674	5.2
240.07776	2.2
241.08617	13.4
247.07516	3.4
248.08339	3.8
249.05502	1.2
249.09029	3.0
249.11241	16.4
250.09813	2.1
251.07013	2.3
251.10736	3.5
253.08575	2.1
253.12270	2.4
254.09488	2.5
255.06506	3.4
255.10143	6.1
256.07175	1.4
257.07999	1.4
257.11810	2.3
260.08347	1.5
261.09100	2.5
262.06415	1.1
262.09735	1.2
263.07111	3.4
263.10605	5.6
265.08615	3.7
266.09479	1.4
267.10284	6.1
269.08066	4.0
269.11349	1.5
271.09802	1.4
275.07098	1.5
275.10651	1.5
276.07831	1.2
277.08612	4.0
278.09467	1.9
279.06900	1.9
279.10172	5.2
280.10815	1.9
281.08463	1.4
281.11783	2.6
283.06155	1.4
283.09467	2.0
289.08517	2.4
291.10095	8.9
292.10870	2.8
293.08112	3.0
293.11807	3.5
294.08875	1.5
295.09668	8.1
297.11340	2.6
303.10190	3.4
305.07944	1.3
306.08817	1.7
307.09665	8.2
308.10345	2.2
309.11191	4.4
313.10776	1.8
319.09711	4.0
320.10355	4.3
321.11182	8.1
323.09122	1.8
325.10571	3.2
327.12082	1.9
333.11163	3.3
335.09125	1.9
337.10678	4.8
338.11508	1.6
339.12341	2.3
349.10443	1.0
351.12418	1.6
355.11749	4.2
367.11749	2.4
369.13315	3.0
374.94864	1.1
429.13290	1.5
447.14352	1.1
457.12656	1.8
475.13806	1.5
487.13965	1.2
497.15839	1.4
505.14764	2.4
509.15704	1.4
527.17206	2.3
557.17767	2.0
587.20508	1.6
603.19604	1.4
605.21283	1.6
615.20032	2.3
617.21838	1.2
633.20886	7.0
635.22797	2.2
639.21069	1.0
645.20923	3.0
651.21887	3.8
663.21729	5.6
681.22931	5.9
693.22876	2.5
711.24249	10.9
729.25043	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.8
57.07077	1.7
67.05501	2.6
70.87319	1.6
70.87652	2.1
72.08160	2.5
72.96286	1.2
79.05498	2.9
81.03414	3.9
81.07062	2.3
89.06046	10.9
91.05470	3.6
103.05436	2.2
105.07040	2.6
107.04993	2.3
109.02901	1.6
115.05459	5.3
117.07030	3.6
121.06537	2.0
122.03625	3.0
123.04439	5.4
123.05261	1.2
124.41377	1.2
125.02364	1.3
128.06229	4.4
128.21790	1.4
129.07028	8.8
131.04933	4.6
131.08549	1.6
133.02841	1.8
133.06520	2.0
133.08615	4.8
135.04411	4.6
137.02376	2.6
137.05997	35.8
143.08591	1.5
144.05708	3.0
145.06494	18.2
146.07254	4.7
147.04411	1.8
151.03984	7.0
151.07562	19.7
155.06039	1.6
157.06509	8.0
158.07271	4.8
158.46951	1.5
159.04443	1.7
159.08063	12.8
160.05220	3.9
160.08842	5.0
161.05978	7.4
162.06752	2.6
163.03963	2.1
163.07538	2.2
165.01840	2.7
165.05495	1.4
167.03317	1.3
169.06357	1.4
171.08089	3.6
172.05049	1.5
172.08841	15.1
173.05981	9.0
173.09673	1.4
174.06798	7.4
175.03943	3.1
175.07565	15.2
176.08357	5.5
177.09164	9.9
177.10617	1.5
177.11201	1.6
178.02686	1.3
178.07739	1.6
179.07091	2.4
181.06552	1.8
182.07338	2.8
185.05974	2.0
187.07545	11.9
188.08366	16.8
189.09131	100.0
190.09512	3.3
191.03410	3.4
191.10785	6.6
193.05035	2.5
195.08121	2.8
198.06795	1.6
199.07553	2.8
200.08342	3.6
201.05461	1.4
201.09145	16.2
202.09908	11.7
203.06891	1.6
203.08789	2.0
203.10675	39.0
205.08585	3.6
207.08049	1.9
208.08913	2.1
211.07594	2.1
212.08344	1.5
213.09145	10.1
215.10774	3.1
217.08603	3.9
219.08107	2.9
219.10181	9.4
221.11778	2.3
223.07672	2.0
224.08330	1.7
225.09113	1.7
227.10674	2.6
231.08165	1.4
231.10182	34.0
235.07596	1.9
236.08395	2.1
237.09106	1.4
238.09726	1.7
239.10695	2.5
241.08557	3.0
247.07593	2.4
248.08380	2.0
249.09117	3.2
249.11276	40.4
250.11868	1.4
251.07375	1.2
251.10689	2.6
253.08661	3.1
253.12379	1.4
255.10313	3.0
261.09155	2.1
263.10657	2.2
265.08707	2.9
267.10193	4.4
275.06891	2.0
276.07745	1.5
277.08618	2.6
279.10028	5.8
283.09283	1.5
290.09467	2.3
291.10196	3.5
293.08249	2.2
293.11664	3.4
295.09695	4.3
307.09512	7.8
308.10461	2.2
309.11182	4.0
319.09756	2.3
320.10547	2.4
321.11078	7.9
325.10837	1.7
335.09012	1.5
337.10873	5.7
338.11288	1.5
339.12277	2.0
349.10785	1.4
350.11581	1.6
351.12332	4.1
355.11911	2.9
367.11664	1.9
368.12665	3.9
369.13318	7.8
479.14774	1.6
497.15350	1.7
527.16815	1.4
603.20532	1.8
605.21368	1.9
612.99512	1.4
615.19751	4.1
627.81543	1.6
633.21472	8.4
645.21411	2.8
651.21484	2.0
663.22162	3.7
681.23328	9.3
693.22339	1.9
699.24609	1.8
711.23999	4.2
726.22723	1.5
747.26416	1.7
747.42908	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	747.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.7
55.01872	5.6
55.05516	2.7
57.03424	1.4
58.05006	1.3
67.05513	7.8
69.03407	1.3
69.26144	11.9
71.04993	1.9
72.08159	2.2
73.02921	2.3
74.31159	1.2
79.05487	5.4
81.03418	3.5
81.07067	8.5
83.08611	2.3
85.02895	1.6
85.10199	1.5
89.06031	6.9
91.05488	5.7
93.03418	1.5
93.07033	3.6
94.04175	2.3
95.04952	2.1
95.08594	1.8
98.21521	3.4
101.30582	1.4
103.05460	1.6
105.07030	4.1
107.04963	5.2
107.08574	3.1
109.02885	2.7
109.10175	4.4
115.05480	4.5
117.07058	5.0
119.08629	1.6
121.02874	1.6
121.06415	1.8
122.03632	3.1
123.04438	5.2
128.06229	4.8
129.06993	9.8
131.04947	6.3
131.08620	1.9
133.08588	5.7
135.04405	3.9
137.02391	2.4
137.05991	67.2
141.07025	1.9
143.04948	2.8
144.05789	1.9
145.06493	20.8
146.07285	4.8
147.04462	2.7
151.03937	6.4
151.07553	13.4
157.06517	13.1
158.07291	6.7
159.04445	3.2
159.08083	4.3
160.05214	3.8
160.08821	2.5
161.05980	5.5
162.06755	2.3
163.03882	2.7
163.07521	2.4
165.05435	3.5
165.06998	1.5
171.08002	1.9
172.08830	9.5
173.06007	10.7
174.06763	8.4
175.03973	1.7
175.07549	20.5
176.08394	4.7
177.09096	10.6
177.11243	1.8
179.07094	3.6
181.06474	2.2
182.07303	1.9
184.07310	2.0
185.06044	3.0
186.06854	2.0
187.07561	11.7
188.08330	15.9
189.09128	100.0
190.09613	1.8
191.10680	3.2
193.05087	1.5
195.08086	2.6
196.08882	2.5
197.06094	2.8
198.06808	1.7
199.07477	1.8
200.08423	2.9
201.09134	28.4
201.97818	1.5
202.09908	6.1
203.08788	1.4
203.10657	29.9
205.08620	4.2
209.09486	1.7
212.08330	2.2
213.09132	7.4
215.10768	6.2
217.08606	4.6
219.08031	3.9
219.10228	4.5
223.07503	1.8
224.08321	2.5
225.09096	3.4
227.07162	1.7
227.10683	2.8
229.08615	2.5
231.08046	3.0
231.10187	23.5
234.10406	1.6
235.07597	2.4
236.08311	1.5
237.09091	2.1
239.10727	5.2
241.08615	11.7
243.10458	1.5
247.07590	3.1
248.08319	1.9
249.08978	2.3
249.11186	14.9
251.10765	2.4
254.09383	2.4
255.06592	4.1
255.10252	4.7
257.11746	1.9
262.09958	2.2
263.07120	2.7
263.10712	5.4
264.07968	2.3
265.08575	3.3
267.10147	4.3
269.07999	2.6
269.11960	1.8
276.07794	2.9
277.08658	2.5
277.11951	1.8
279.10205	4.5
281.08154	2.1
281.11597	3.1
283.09567	2.4
289.08582	2.7
291.10056	6.9
292.10895	1.6
293.08282	3.0
293.11575	3.2
295.09644	5.3
297.11246	3.3
303.10080	1.8
307.09763	7.2
308.10324	2.4
309.11221	5.9
319.09897	3.8
320.10287	3.8
321.11221	5.9
325.10803	2.8
337.10788	5.2
338.11664	2.5
339.12372	2.8
351.12411	2.4
355.11719	3.0
378.45880	1.6
429.13000	1.6
505.14917	3.6
521.30444	3.5
521.37610	1.7
527.17090	2.2
535.16052	1.5
567.40723	2.2
605.23370	1.5
617.21368	2.2
633.21350	4.1
645.21417	2.2
651.21887	2.6
663.21783	5.1
681.23383	3.5
693.23279	3.3
711.24561	9.1
729.25305	2.4
747.27942	2.1
747.42554	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	747.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01872	3.0
65.03935	0.6
67.05505	0.8
68.99796	0.9
69.03435	0.7
69.07076	0.9
72.08157	0.7
79.05499	1.0
81.02993	0.9
81.03429	11.7
83.04970	1.2
85.02903	1.3
91.05484	2.4
93.07026	0.8
95.04961	1.8
96.33357	0.7
96.63333	0.6
97.02898	2.4
103.05473	1.1
105.03385	0.9
105.07036	1.4
106.04217	0.8
107.04967	4.8
107.08600	1.0
108.05745	1.7
109.02846	0.6
113.40647	0.6
115.05466	2.5
117.07023	1.3
121.06510	1.7
123.04443	5.0
125.02360	4.8
128.06232	1.3
129.07010	2.6
131.04936	1.4
131.08606	0.9
135.04443	2.0
136.05240	1.4
137.02307	1.0
137.05992	6.0
139.03842	1.0
143.04880	1.0
144.05708	1.0
145.06497	8.4
146.07259	1.8
147.04428	1.5
147.08026	1.1
151.03941	2.6
151.07552	100.0
153.06978	0.8
155.03403	5.8
155.04709	1.0
157.06503	3.1
158.07234	1.8
159.04488	0.7
159.08073	3.5
160.05168	1.2
160.08856	1.6
161.06021	5.0
165.05508	1.2
165.07027	0.8
167.03474	1.9
171.08081	2.7
172.08852	7.1
172.10199	0.9
173.05972	4.0
174.06776	5.3
175.07495	6.0
176.08391	3.0
177.09106	2.4
181.06517	1.7
183.08131	0.8
187.07542	4.0
188.08350	8.8
189.09123	40.3
191.07022	1.3
191.10674	2.0
195.08051	1.9
196.08884	6.0
199.07632	1.1
200.08369	1.4
201.09120	7.0
202.09869	4.8
203.06920	0.7
203.10661	10.5
205.08667	1.2
207.08044	0.8
208.08841	1.1
209.09599	0.9
210.10503	0.7
211.07558	1.3
212.08374	1.7
213.09129	5.5
215.07033	0.9
215.10667	0.7
216.07852	1.5
217.08577	1.4
218.09393	0.7
219.08144	1.2
219.10165	16.5
222.10483	0.8
223.07605	1.0
225.09282	0.7
226.09927	1.6
227.10670	5.7
231.10188	21.1
234.10396	0.8
235.07596	1.1
237.08957	0.8
239.10585	1.8
241.12268	1.2
243.10130	0.7
247.07570	1.1
249.08775	1.0
249.11270	14.9
255.10213	1.4
263.10773	1.1
265.12177	1.5
266.09308	0.8
269.11737	0.9
270.12659	1.1
278.09381	0.9
279.09985	0.8
281.11755	1.9
291.10242	1.4
297.11444	0.9
299.12958	1.0
307.10059	0.8
309.11185	4.9
311.12753	1.1
321.11105	0.9
325.10690	0.6
327.12231	1.1
337.10806	2.7
339.12482	1.4
343.11728	1.4
355.11771	2.5
357.13388	9.6
367.11765	2.1
385.12939	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	747.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01871	6.0
55.05522	0.7
62.77607	0.6
65.03940	1.3
67.05504	1.2
70.37873	1.3
79.05476	1.8
81.03413	3.2
83.04977	1.2
91.05478	2.9
93.07021	1.2
94.04147	1.6
95.04957	1.6
97.02885	2.3
97.64005	0.7
98.33839	0.6
103.05466	2.4
105.07038	1.6
107.04965	1.9
109.02865	1.4
111.04440	0.9
115.05447	5.1
116.77046	0.7
117.07021	2.9
119.04974	1.3
121.02899	1.3
121.06502	2.2
122.03662	2.8
123.04443	12.1
125.02390	2.3
127.81595	0.8
128.06215	5.2
129.07019	6.2
130.04181	0.7
131.04930	5.8
131.08569	1.0
132.05699	1.2
133.02879	1.4
133.06528	0.9
135.04395	3.7
137.02345	2.8
137.05984	41.7
138.06683	1.1
140.23700	0.7
141.06993	1.6
143.04929	4.5
143.08546	1.5
144.05702	2.5
145.06487	18.2
146.07309	4.0
147.04387	1.9
147.08066	0.9
151.03940	9.7
151.07541	17.8
155.03432	4.1
155.04726	1.0
156.05688	1.5
157.06516	7.9
158.07294	4.8
159.04448	1.8
159.08072	17.9
160.05183	3.9
160.08870	4.0
161.05983	7.5
162.06764	2.9
163.03885	2.3
163.07532	1.9
165.01854	1.8
165.05504	2.5
165.06906	1.2
165.09096	0.9
168.05687	0.8
169.06430	1.7
171.08047	3.8
172.08846	15.6
173.06006	8.4
173.09538	1.1
174.06795	8.0
175.03882	3.0
175.07581	16.1
176.08362	8.8
177.05467	1.2
177.09123	12.0
178.07791	0.9
179.07072	2.9
181.06511	1.7
182.07268	2.2
183.08011	1.7
184.08836	0.8
185.05975	1.7
186.06787	1.2
187.07558	11.2
188.08334	22.9
189.09120	100.0
190.09665	1.5
191.03387	4.2
191.07022	1.0
191.08775	1.2
191.10674	7.7
192.04091	1.1
193.04994	1.5
195.08070	2.7
196.08823	1.8
197.06055	1.3
198.06717	1.0
199.07573	1.7
200.08322	2.9
201.05411	1.1
201.09119	14.7
202.09897	13.9
203.07008	2.7
203.10670	38.4
205.06650	1.5
205.08629	3.0
207.07942	1.7
208.08815	1.4
209.06096	0.9
209.09608	1.2
210.06847	0.9
211.07607	2.2
212.08270	1.3
213.09123	9.2
214.09814	0.9
215.10632	3.5
216.07816	1.2
217.08652	2.6
218.07271	0.7
218.09261	1.0
219.08034	4.4
219.10199	12.7
220.08891	1.4
221.06076	1.0
221.09586	1.8
221.11763	2.1
223.07512	1.8
224.08383	1.2
225.05444	1.0
225.09125	2.4
226.09915	1.3
227.07062	1.2
227.10666	2.6
229.04964	1.8
229.08647	2.1
231.08173	1.6
231.10168	34.6
233.09743	1.0
233.11862	0.8
234.10410	1.7
235.07625	3.5
235.09532	0.8
236.08376	1.1
237.09079	1.8
238.09784	1.2
239.07072	1.3
239.10640	5.1
241.08646	3.2
247.07559	2.7
248.08296	2.8
249.09114	1.9
249.11250	41.2
251.07027	1.7
251.10707	2.5
252.07877	1.0
253.08646	2.6
254.09392	1.0
255.06500	2.3
255.10147	1.9
261.09091	2.1
262.09906	1.3
263.07074	2.0
263.10669	4.0
265.08624	3.8
265.12119	0.9
266.09393	1.0
267.06531	1.1
267.10071	3.2
269.11578	0.8
275.07071	1.9
275.10400	1.0
276.07867	0.8
277.08569	3.0
278.09329	1.7
279.07001	1.2
279.10065	6.5
281.08209	0.9
281.11765	2.1
283.09537	1.4
285.11313	0.8
289.08572	1.3
290.09399	2.4
291.06995	1.2
291.10083	6.8
292.07620	0.9
292.10822	1.3
293.08081	1.2
293.11716	2.3
295.09735	4.4
296.10205	1.0
297.11307	1.8
303.10211	1.7
305.08295	1.1
306.08704	0.9
307.09592	6.9
308.10394	2.4
309.11111	3.9
319.09683	2.4
320.10385	2.6
321.07846	1.2
321.11127	6.4
323.09189	1.2
325.10806	2.0
327.12286	1.4
333.11288	1.1
335.09213	1.4
336.09796	1.0
337.10709	6.2
338.11459	1.7
339.12259	2.1
349.10666	1.5
350.11343	2.0
351.12372	6.2
355.11627	3.5
367.11786	1.6
368.12564	5.7
369.13388	7.7
373.12985	0.9
385.13052	1.5
459.14426	0.9
467.13458	1.2
471.14377	1.3
479.14886	1.0
487.13647	1.2
497.14636	6.1
540.30188	0.7
601.18164	1.0
605.21289	2.5
615.20142	3.3
617.21368	1.2
627.20807	1.0
633.21210	10.3
635.22180	1.5
645.21246	1.7
651.22437	2.4
663.22333	4.1
669.23743	0.9
675.23096	1.0
681.23352	8.1
693.22656	3.2
711.24597	4.7
729.25482	1.3
747.26447	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	747.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.1
58.85640	1.1
65.03946	1.3
70.59025	1.3
71.52425	1.7
72.08139	2.1
79.05499	2.2
79.09929	1.3
81.03404	4.7
81.03873	1.4
91.05492	3.7
94.04187	2.1
95.04963	2.1
103.05474	2.7
105.07033	1.9
107.04962	2.5
111.04429	3.2
115.05468	6.3
117.07014	3.5
121.06561	1.7
122.03659	5.5
123.04436	5.5
128.06232	5.6
129.07033	6.8
131.04944	7.3
131.08522	2.0
132.05711	1.9
135.04411	4.1
137.02357	3.2
137.05991	66.5
141.06966	2.5
143.04962	3.6
144.05737	2.4
145.06499	20.6
146.07256	5.4
147.04439	1.8
151.03899	4.4
151.07570	14.6
155.06052	1.4
157.06503	12.3
158.07297	6.8
159.04443	3.9
159.08107	5.0
160.05234	4.8
160.08813	2.3
161.05983	4.8
162.06764	3.4
163.03905	5.3
163.07506	1.6
165.01872	2.2
165.05482	2.2
165.07004	2.4
169.06487	1.5
171.08051	3.7
172.08876	10.8
173.05978	12.2
174.06760	8.6
175.03926	2.1
175.07584	22.0
176.08333	3.9
177.09114	12.0
179.07094	2.2
181.06511	2.5
184.08891	1.8
185.06029	2.5
187.07556	12.9
188.08360	14.9
189.09131	100.0
190.09612	1.5
191.08585	2.4
191.10611	3.6
193.04959	1.7
195.08115	4.2
196.08797	2.2
197.05899	1.8
199.07550	2.3
200.08299	2.0
201.05444	3.3
201.09113	30.0
202.09901	5.9
203.07071	2.3
203.10696	32.3
205.08640	4.1
207.08220	3.0
208.08768	1.9
211.07535	4.4
212.08440	1.7
213.05475	1.7
213.09151	8.1
215.07155	1.8
215.10597	7.0
216.07837	1.9
217.08636	3.9
218.07234	2.4
219.08032	4.7
219.10225	3.6
220.08859	3.1
221.09691	2.1
223.07544	3.0
224.08351	1.9
225.09029	4.1
226.09822	3.0
227.07079	3.7
227.10643	3.8
229.08646	2.3
231.08076	2.2
231.10201	21.9
232.10858	1.8
233.11736	2.1
235.07504	4.7
235.09627	2.3
236.08313	2.2
237.09090	2.6
239.07091	2.0
239.10672	5.0
241.08662	16.6
243.10153	2.2
247.07610	3.9
248.08395	3.6
249.09036	2.8
249.11270	12.2
250.09795	2.2
251.10645	2.6
253.08630	3.4
254.09430	2.0
255.06505	5.3
255.10112	4.6
260.08350	1.8
261.09219	2.6
263.07175	2.4
263.10626	5.7
264.07809	2.8
265.08649	3.0
265.12238	2.3
266.09412	1.7
267.06674	1.4
267.10202	3.5
269.08093	3.7
269.11798	1.7
275.07159	2.7
275.10477	1.7
276.07773	2.0
277.08636	5.9
278.09412	2.2
279.10199	4.8
280.11002	1.9
281.11783	3.1
283.09570	3.8
289.08698	3.3
291.10110	6.6
293.08087	3.1
293.11575	3.1
295.09750	6.5
296.10635	1.7
297.08115	1.7
297.11414	2.5
303.10245	2.0
305.08240	1.8
307.09613	7.9
308.10376	2.7
309.11179	5.3
311.12750	1.5
319.09647	2.7
320.10495	3.4
321.11136	8.8
323.09335	2.6
325.10934	2.1
333.11340	3.1
337.10736	5.8
338.11560	2.6
339.12256	2.8
351.12158	3.2
355.12018	3.9
369.13370	2.7
457.12778	2.1
487.14059	1.7
505.14804	3.5
603.19849	2.1
633.21106	7.0
635.22852	2.8
645.21118	3.0
651.22437	4.5
663.21826	5.4
681.22888	4.3
693.22797	3.6
711.23724	8.9
729.24854	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	747.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.4
58.06596	0.7
65.03918	1.3
66.04716	0.7
69.03442	1.2
69.43653	4.1
79.05498	1.7
79.95068	0.7
81.03413	2.9
81.07043	0.7
82.57097	0.7
83.04975	0.8
85.02869	0.8
91.05481	2.3
94.04189	1.2
95.04955	1.5
97.02874	1.7
102.04745	0.6
103.05484	2.7
107.04942	2.7
109.02886	2.8
109.06512	1.2
111.04455	1.7
113.65112	0.7
115.05451	5.8
117.07009	3.8
119.04922	1.3
121.02883	0.8
121.06515	2.0
122.03648	3.9
123.04440	2.6
125.02345	1.2
127.05426	0.9
128.06221	4.1
129.07033	8.0
131.04922	6.2
131.08549	1.5
132.05699	1.0
133.02856	1.2
133.06528	1.2
135.00807	0.9
135.04436	8.5
136.04767	2.1
137.02370	3.5
137.05989	67.7
138.06659	1.0
139.03970	1.0
141.06969	1.3
143.04935	4.5
143.08560	1.1
144.05705	1.9
145.05396	1.5
145.06483	17.5
146.07268	3.6
147.04372	2.1
147.08031	1.2
149.02330	0.7
151.03947	4.8
151.07556	15.0
152.06204	1.0
153.05475	1.3
155.04840	1.0
155.05983	1.2
156.05794	1.0
157.06500	12.2
158.07285	6.7
159.04440	2.2
159.08054	5.3
160.05232	5.2
160.08922	1.8
161.06018	4.4
162.06767	4.8
163.03929	3.5
163.07549	2.7
165.05472	3.3
165.06906	1.8
166.05956	0.7
167.03467	1.0
167.08670	0.8
169.06493	1.5
171.08063	2.3
172.05179	1.7
172.08849	11.6
173.06012	11.2
173.09660	0.8
174.06776	6.5
175.03912	1.5
175.07568	19.7
176.08340	4.8
177.09146	8.1
178.07758	0.9
179.03456	1.6
179.07056	2.6
181.06480	2.3
182.07253	1.4
183.08026	1.4
185.06084	3.7
186.06807	2.2
187.07578	13.0
188.08337	15.5
189.09120	100.0
190.09552	1.5
191.03555	1.2
191.08704	1.5
191.10692	4.0
193.04979	1.6
195.08102	2.0
196.08788	2.7
197.06065	1.8
198.06706	1.0
199.07571	2.7
200.08286	2.0
201.05479	2.0
201.09120	31.7
202.09877	6.1
203.07010	1.9
203.08891	1.2
203.10684	32.3
205.06657	1.2
205.08560	5.0
207.08093	2.9
208.08806	1.8
209.04350	1.1
209.06129	1.1
209.09608	1.7
210.06964	0.9
211.07581	4.5
212.08324	2.1
213.05447	1.3
213.07240	1.3
213.09087	9.1
214.09860	0.9
215.07030	1.7
215.10663	6.5
216.07651	1.6
217.08589	5.9
218.07181	1.1
219.08003	4.3
219.10202	4.2
221.06059	0.9
221.09694	1.5
221.11751	1.6
222.06750	1.0
223.07483	1.8
224.08276	2.5
225.05309	0.9
225.09103	3.4
226.09917	2.0
227.07066	2.1
227.10632	3.5
229.04982	1.4
229.08626	1.8
231.08255	1.0
231.10176	21.5
232.08789	1.9
233.05905	1.3
233.07927	1.6
233.09889	1.1
233.11748	0.9
234.06708	1.7
235.07529	3.0
235.09589	1.4
236.08304	1.5
237.09119	2.6
238.09837	1.3
239.07014	3.0
239.10655	5.9
240.07666	1.6
240.11305	1.1
241.04945	1.3
241.08601	13.4
241.12244	1.2
242.09261	1.1
243.10216	1.9
246.06808	1.0
247.07541	2.7
248.08360	2.7
249.05595	0.9
249.09038	2.6
249.11293	18.0
250.09825	1.8
251.06999	1.9
251.10715	3.2
252.07780	1.2
253.08632	2.3
253.12308	1.6
254.09361	2.2
255.06590	4.5
255.10161	5.7
256.07303	1.6
256.10779	0.9
257.11780	1.8
259.07675	0.8
261.09164	2.8
262.10022	1.3
263.07071	3.4
263.10690	5.0
264.07886	2.1
264.11414	1.2
265.08609	2.9
265.12231	1.9
266.09442	1.2
267.06644	1.7
267.10114	4.4
268.10834	1.2
269.08112	4.3
269.11435	0.8
271.09637	1.4
275.07080	1.4
275.10583	1.3
276.07855	1.1
277.08627	4.1
278.09286	1.8
279.06976	1.1
279.10190	5.3
280.10663	1.4
281.08218	1.1
281.11777	2.8
283.06247	0.9
283.09644	2.4
289.08679	2.0
290.09360	1.8
291.07022	1.1
291.10153	8.9
292.10788	2.1
293.08063	2.5
293.11682	3.7
294.08624	1.2
294.49023	0.8
295.09686	6.4
296.10397	1.2
297.11209	3.1
299.12692	0.9
303.10260	3.0
305.08145	2.0
306.08994	0.9
307.09653	7.1
308.10355	2.2
309.07947	1.3
309.11200	6.1
310.12100	0.9
313.10748	2.0
318.08932	0.9
319.09711	2.7
320.10437	5.6
321.07608	2.0
321.11230	6.9
325.10776	3.2
327.12354	1.9
333.11209	2.3
337.10706	4.8
338.11368	2.2
339.12280	3.6
343.11960	1.3
349.10815	1.3
351.08511	1.4
351.12527	1.7
355.12030	4.4
357.13141	1.2
367.11823	2.2
369.13318	3.1
371.51529	0.8
385.13300	1.0
429.13550	1.0
433.13202	0.9
445.13055	1.4
447.14081	1.3
451.15240	0.9
459.14536	1.5
467.15015	0.8
475.13806	1.0
477.15527	1.6
479.14902	1.1
481.15320	1.0
487.13583	1.2
497.15790	1.5
505.14816	3.2
507.15652	0.8
509.15869	1.5
527.17090	2.2
535.15924	1.2
539.16913	1.1
557.17621	1.0
587.20258	0.8
603.20123	1.3
605.21344	2.6
615.19873	2.8
617.21460	2.5
621.21283	1.1
633.21466	6.1
635.23181	1.4
645.20837	2.0
651.22089	3.5
663.22333	6.2
681.23236	6.5
693.22882	2.9
699.24292	1.1
711.24377	8.3
729.24548	2.5
747.25421	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	747.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.9
57.36267	1.0
57.44112	0.9
57.51516	0.8
58.96059	0.8
64.34509	0.9
65.03918	1.1
79.05490	1.4
81.03401	2.9
91.05491	4.2
93.89064	1.0
94.04176	2.3
95.04970	1.1
101.07024	1.1
103.05467	2.3
107.04954	3.6
109.02882	1.7
115.05443	5.6
115.23296	0.9
115.28587	1.0
117.07031	4.1
119.04929	1.5
121.02885	1.5
121.06538	1.9
122.03660	5.9
123.04414	3.4
125.02350	1.5
125.05979	0.9
128.06252	5.0
129.07005	9.8
131.04956	6.2
133.06456	1.5
135.04434	4.8
137.02342	3.4
137.05989	68.7
139.03990	1.4
141.07028	1.8
143.04889	3.2
143.08569	1.1
144.05652	2.5
145.06494	17.4
146.07288	5.1
147.04411	2.7
147.07982	1.1
149.02332	1.9
151.03915	5.5
151.07558	13.6
153.06995	1.0
156.05673	1.5
157.06523	11.4
158.07312	6.2
159.04379	3.4
159.08072	5.5
160.05234	5.6
160.08838	2.1
161.05943	5.1
162.06769	3.8
163.03902	4.2
163.07570	1.9
165.05511	4.5
165.06865	1.6
171.08040	3.6
172.08858	13.2
173.06012	11.1
174.06761	7.8
175.03973	1.4
175.07555	21.2
176.08327	4.2
177.09149	10.4
179.03453	1.5
179.07039	3.8
181.06429	1.7
182.07301	2.0
183.07997	1.9
185.06041	1.9
186.06783	1.2
187.07587	15.4
188.08351	13.6
189.09123	100.0
190.09489	3.0
191.07066	1.6
191.10652	2.4
193.04945	1.6
193.06612	1.1
195.08075	1.5
196.05249	1.0
196.08875	2.6
197.05940	1.5
198.06778	1.2
199.07561	2.6
200.08359	2.7
201.05518	1.6
201.09129	32.2
202.09859	6.8
203.07074	1.2
203.10677	33.2
205.06612	1.7
205.08582	5.1
207.08095	2.6
208.08856	2.4
209.04451	2.6
209.09616	1.3
211.07559	3.5
212.08321	2.0
213.09148	10.0
215.07071	1.5
215.10657	6.2
216.07787	2.0
217.08640	4.7
218.07298	1.4
219.08081	3.9
219.10133	4.6
220.08856	2.1
221.09621	2.2
223.07578	2.1
224.08292	3.3
225.05409	2.6
225.09085	4.4
226.09814	1.4
227.07051	2.3
227.10677	4.4
229.05092	1.7
229.08708	2.3
231.08115	2.2
231.10164	25.3
233.09689	1.7
233.11723	1.2
235.07574	2.7
237.09138	2.6
239.07057	1.5
239.10669	4.2
240.07779	1.6
241.08585	12.5
242.09431	1.4
243.10170	1.9
247.07535	2.8
248.08321	3.1
249.09044	2.9
249.11255	15.9
250.09785	2.7
251.07118	1.1
251.10724	3.7
253.08568	3.0
253.12131	2.7
254.09343	2.0
255.06476	3.4
255.10236	7.4
257.07983	1.1
257.11700	2.1
261.09009	1.7
262.09955	1.5
263.07037	3.2
263.10733	4.6
264.07684	1.7
265.08582	2.6
265.12457	1.8
267.10181	5.4
269.08112	2.7
271.09497	1.2
277.08771	5.3
278.09317	1.9
279.06934	1.0
279.10172	5.6
280.11020	1.2
281.08414	1.6
281.11658	3.9
283.06354	1.5
283.09628	2.7
287.09348	1.5
289.08682	2.1
290.09363	2.2
291.06976	1.5
291.10190	9.2
292.07477	1.8
292.10852	3.4
293.08072	5.1
293.11761	2.5
295.09729	5.3
297.11212	3.5
303.09970	1.7
305.08005	2.0
307.09644	9.8
308.10413	2.8
309.11188	6.8
311.08981	1.4
313.10709	2.0
319.09512	3.3
320.10544	5.1
321.11148	6.8
323.09250	1.2
325.10724	2.9
333.11349	2.2
337.10675	5.5
338.11493	1.9
339.12268	4.6
349.10693	1.5
351.12213	1.9
355.11819	4.9
357.12817	1.3
367.11801	1.7
369.09393	1.4
369.13388	3.0
447.14316	1.3
477.15381	1.7
479.14154	1.4
487.14050	1.4
505.14749	4.3
509.15997	1.4
527.16974	1.8
557.18372	2.6
575.19916	2.6
587.19781	1.6
603.19855	1.1
605.21460	1.5
615.20074	2.9
617.21649	1.8
633.21045	5.6
635.22516	3.0
645.21375	2.3
651.22223	4.7
663.21924	6.9
669.22961	1.3
681.23175	4.3
693.23364	4.8
699.24640	1.8
711.24854	6.9
729.25232	4.8
747.25507	4.3
747.38135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01869	4.1
62.83746	0.6
65.03926	1.3
67.05503	1.4
68.77475	0.5
68.99802	0.7
69.03412	0.9
69.23362	3.0
69.23778	2.0
73.10736	0.5
77.03960	0.7
79.05492	1.2
81.03408	4.4
83.04974	1.0
83.75108	0.5
91.05479	2.9
93.03432	0.9
94.04185	1.8
95.04967	1.4
95.08558	0.6
97.02896	3.6
103.05457	2.1
105.03377	1.1
105.07015	2.5
107.04971	1.9
109.02892	2.5
115.05441	4.2
116.06247	1.0
117.07037	3.2
119.04920	1.5
119.08587	0.8
121.02885	0.9
121.06525	3.0
122.03653	2.5
123.04434	12.9
125.02372	5.1
128.06229	5.0
129.07013	7.1
130.17241	0.6
131.04927	4.6
131.08582	1.3
132.05782	0.7
133.02902	1.1
133.06500	1.7
135.04420	3.6
136.05164	1.3
137.02388	2.9
137.05986	37.3
139.03900	1.2
141.06976	1.8
143.04927	4.4
143.08560	1.6
144.05692	1.9
145.06488	18.5
146.07275	5.0
147.04414	1.0
147.08028	1.5
149.02394	1.3
149.06030	0.9
151.03925	9.2
151.05003	1.0
151.07553	26.5
152.06207	0.7
152.07945	1.0
153.05412	0.7
153.06921	1.0
155.03400	5.7
155.04829	1.2
155.06035	1.1
156.05725	1.3
157.06497	8.6
158.07301	4.8
159.04457	2.2
159.08070	14.7
160.05211	3.2
160.08792	4.0
161.06009	8.5
162.06746	3.3
163.03905	2.1
163.07532	1.6
165.01830	1.7
165.05498	3.5
165.06912	1.3
166.05812	1.2
167.03429	2.0
168.05742	1.0
169.06386	1.5
171.08101	3.9
172.08844	15.3
173.05989	8.4
173.09552	1.3
174.06778	8.7
175.03957	3.6
175.07550	17.0
176.08336	9.7
177.05521	0.9
177.09131	10.9
179.03438	0.9
179.07057	2.8
179.08531	1.1
181.06496	2.0
182.07275	2.7
183.08093	2.0
184.05185	0.7
184.07338	1.6
184.08862	1.9
185.06015	2.2
186.06834	0.8
187.07550	12.1
188.08334	21.1
189.09119	100.0
190.09721	2.5
191.03426	4.2
191.07034	1.5
191.08795	1.0
191.10669	7.7
192.04099	0.9
193.04977	2.4
195.08066	2.0
196.08879	3.0
197.06015	1.1
198.06708	1.5
199.07512	2.2
200.08311	3.0
201.05528	1.3
201.09128	16.1
202.09897	13.7
203.06995	2.3
203.10678	42.0
204.11269	0.8
205.08598	2.5
205.12059	0.7
206.07167	0.7
207.08057	1.5
208.08801	1.3
209.09628	0.9
211.07547	2.1
212.08290	2.3
213.09103	8.4
214.09814	1.8
215.07114	0.8
215.10670	5.3
216.07797	2.1
217.08592	3.7
218.09360	0.6
219.08069	3.1
219.10184	12.7
220.08765	1.1
221.09615	1.6
221.11678	1.2
222.10381	0.9
223.07596	1.7
224.08354	1.9
225.05673	0.7
225.09108	2.7
226.09818	1.9
227.07082	1.4
227.10651	4.1
229.05089	1.4
229.08578	1.5
231.08170	1.9
231.10167	39.4
232.08688	1.0
232.10786	1.1
233.06018	1.0
233.09596	1.2
234.06790	0.9
234.10457	1.0
235.07549	2.5
236.08209	1.5
237.09114	2.1
239.10626	3.2
241.08623	3.2
241.12154	0.9
246.06717	0.8
247.07558	2.7
248.08348	1.7
249.09148	2.2
249.11253	45.8
250.09673	0.9
250.11908	0.9
251.07042	1.4
251.10678	2.8
252.07657	0.7
253.08665	1.8
253.12292	1.3
254.09454	1.4
255.06517	1.4
255.10144	2.0
256.07343	0.7
257.12054	1.0
259.07468	0.8
261.09116	1.7
262.09888	2.0
263.07117	1.8
263.10684	3.8
264.07806	1.3
265.05392	0.7
265.08649	2.9
265.12079	1.0
267.06393	0.9
267.10223	4.5
269.11853	1.1
271.09546	0.8
272.12894	0.7
275.07083	1.3
277.08685	3.5
278.09430	2.2
279.10135	5.7
280.10971	1.1
281.11725	2.6
283.06305	0.8
283.09552	1.1
289.08655	1.9
290.09323	1.5
291.07074	1.0
291.10147	5.3
292.10809	1.4
293.08051	1.9
293.11716	2.2
295.09634	4.4
297.11246	2.0
303.10043	1.1
305.08243	1.0
306.08890	0.7
307.09705	6.2
308.10556	1.7
309.11243	5.0
310.11700	1.0
311.12833	1.0
319.09671	2.7
320.10449	2.0
321.11197	5.5
323.09122	1.3
325.10773	2.1
327.12274	1.3
333.11197	1.1
337.10620	5.4
338.11539	1.8
339.12439	2.9
343.11780	1.1
349.10858	1.8
350.11414	1.0
351.12219	4.1
355.11969	4.3
357.13354	2.0
367.11774	2.2
368.12692	4.8
369.13406	6.8
385.12848	4.3
386.13544	0.8
415.11908	0.7
447.14688	0.7
460.76239	0.7
497.14426	6.0
505.14975	0.8
509.15607	1.0
520.02582	0.6
527.17133	0.9
557.18298	0.6
585.19525	0.8
602.19653	0.8
605.21661	3.0
615.19928	3.2
633.21051	7.2
635.23059	1.0
645.21344	2.1
651.21875	1.8
663.21869	5.6
664.23572	0.8
665.23706	1.1
681.23309	6.4
693.22919	2.2
699.23407	1.4
711.24402	4.0
747.26459	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	747.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.9
58.37344	0.5
65.03949	0.7
69.03445	0.9
79.05495	1.4
80.19978	0.6
81.03436	3.0
81.07056	1.1
83.04984	1.1
85.02911	0.8
91.05484	2.9
93.03409	0.8
94.04198	2.2
95.04990	1.2
97.02917	1.2
103.05466	2.6
105.03384	1.2
105.07069	1.0
107.01318	0.7
107.05001	1.4
109.02880	1.6
109.06570	0.8
111.04434	0.9
111.85150	0.6
115.05492	3.3
116.06257	0.6
117.07007	2.9
119.04958	1.2
121.02905	1.4
121.06504	1.8
122.03645	3.7
123.04469	4.8
123.67630	0.7
124.05112	0.6
125.02333	1.0
125.06028	0.9
128.06200	4.4
129.07018	7.2
131.04942	5.3
131.08588	1.3
132.05682	0.9
133.02835	1.5
133.06526	1.0
135.04422	2.7
137.02390	3.0
137.05994	56.3
138.03098	0.8
138.06467	0.7
139.03909	0.7
141.07010	2.0
142.07797	0.8
143.04955	3.4
143.08546	1.2
144.05714	1.8
145.06502	17.6
146.07317	4.8
147.04428	1.4
147.08031	0.8
149.02322	1.1
149.06023	1.2
151.03908	6.2
151.06425	1.2
151.07565	14.1
152.07922	1.0
153.05516	1.3
153.06923	0.7
155.06088	0.7
156.05733	1.0
157.06490	11.1
158.07306	6.3
159.04408	2.7
159.08058	8.0
160.05226	3.8
160.08826	2.3
161.06007	4.7
162.06819	3.2
163.03941	2.4
163.07594	1.6
165.01912	1.5
165.05501	3.1
165.06929	1.4
168.05759	1.0
169.06470	1.4
170.07263	0.8
171.04477	0.8
171.08089	2.9
172.05257	1.3
172.08862	11.2
173.05983	7.7
173.09605	0.9
174.06784	6.4
175.04021	1.4
175.07565	16.7
176.08324	5.5
177.09111	7.0
178.07788	0.9
179.07056	2.3
179.08528	1.3
181.06516	2.5
182.07323	1.4
183.08101	2.0
184.08862	0.8
185.05988	3.0
186.06812	1.2
187.07559	11.1
188.08357	14.6
189.09131	100.0
190.09517	3.0
191.03445	1.8
191.07137	0.9
191.08919	0.8
191.10629	3.7
192.04213	1.1
193.04982	1.3
195.08069	2.6
196.08908	2.6
197.05984	1.9
198.06769	1.3
199.07581	2.2
200.08347	2.3
201.05432	2.2
201.09134	29.0
202.09932	5.9
203.07079	2.1
203.10692	30.1
204.10968	0.7
205.06726	1.2
205.08617	5.2
207.08087	2.2
208.08815	2.8
209.04433	0.8
209.09598	0.9
210.10411	1.0
211.07552	2.3
212.08330	2.1
213.05489	0.6
213.09142	8.1
214.09885	1.7
215.06931	0.9
215.10622	4.4
216.07855	1.6
217.06726	1.2
217.08615	4.5
218.07242	0.9
218.09380	0.8
219.08089	4.3
219.10185	5.1
220.08809	1.0
221.09599	1.8
221.11598	1.0
223.07568	1.9
224.08415	1.5
225.05504	1.5
225.09186	2.7
226.06238	1.2
226.09946	1.4
227.07007	2.3
227.10725	2.2
229.05025	2.0
229.08585	1.5
231.08174	1.4
231.10175	26.4
232.08775	1.4
233.06033	0.7
233.11746	0.9
234.06750	1.3
234.10500	0.8
235.07573	3.7
236.08453	1.1
237.09148	1.2
238.09781	1.5
239.06966	1.9
239.10721	4.5
240.07822	1.5
241.08612	8.7
242.09398	1.1
243.10187	1.4
247.07567	2.9
248.08365	2.1
249.09087	2.2
249.11287	19.2
250.09793	1.2
251.07045	1.3
251.10692	3.0
252.07901	1.0
253.08638	2.6
253.12062	0.9
254.09457	1.7
255.06583	2.3
255.10159	4.0
257.11804	1.5
260.08426	0.8
261.09171	1.5
262.09952	1.6
263.07080	1.9
263.10721	4.0
264.07782	1.6
264.11377	1.4
265.08691	2.2
265.12286	1.6
267.06708	1.5
267.10239	4.6
269.08157	1.9
269.11752	1.4
271.09698	1.7
275.07349	1.1
275.10483	0.8
276.07788	1.1
277.08722	3.6
278.09430	2.5
279.06848	1.2
279.10187	5.6
280.10901	1.1
281.08078	1.4
281.11774	2.3
283.06241	0.9
283.09750	1.6
287.09323	0.8
289.08551	2.4
290.09351	2.1
291.07019	1.0
291.10156	7.8
292.07510	0.7
292.10944	1.4
293.08069	2.4
293.11716	2.2
295.09732	4.8
297.08047	0.7
297.11139	3.2
303.10251	1.9
305.08051	0.9
305.11832	0.7
307.09720	7.2
308.10443	1.8
309.11279	4.6
313.10895	1.5
319.09650	2.6
320.10391	3.1
321.07816	0.8
321.11218	5.5
323.09528	1.1
325.10599	3.1
327.12384	1.1
333.11215	2.3
335.09192	1.0
335.12936	1.0
337.10739	5.2
338.11487	2.3
339.12381	2.2
349.10645	2.1
350.11469	1.4
351.12473	3.7
355.11865	4.6
367.11780	0.8
368.12735	2.9
369.09561	0.7
369.13519	4.3
385.12906	0.9
399.12045	0.8
429.13196	1.4
431.15170	0.8
447.14218	0.9
463.13995	1.2
467.14957	0.9
475.14401	0.9
479.14319	1.2
481.16537	0.9
487.13910	1.3
497.15424	1.3
505.14767	2.6
509.15918	1.9
527.16614	1.2
535.15912	1.0
587.20593	0.9
603.19666	1.2
605.21442	2.2
609.19470	1.2
615.20343	1.3
617.22339	1.2
621.21191	1.2
633.21118	5.7
635.22760	2.3
645.21222	1.9
651.22491	2.9
663.22321	4.9
681.23352	6.0
693.22760	2.1
699.24231	1.3
711.24481	6.9
729.25598	2.1
747.26013	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	747.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.3
61.91386	0.7
62.95946	0.7
65.03942	0.9
67.05512	1.1
69.51455	1.7
69.51856	4.3
71.44247	0.8
79.05492	1.9
81.03410	2.7
91.05470	3.2
93.03387	0.9
94.04204	1.4
103.05482	1.7
105.07028	1.3
107.04959	2.4
107.98157	0.9
109.02882	2.6
109.06537	0.8
115.05461	4.0
116.06248	1.2
117.07018	3.0
121.02856	1.0
121.06497	1.6
122.03643	3.3
123.04446	7.1
125.02332	1.9
128.06233	3.4
129.07007	7.2
131.04984	4.2
131.08542	1.6
133.02853	1.2
133.06540	1.7
135.04422	4.0
136.05196	1.1
137.02359	1.6
137.05989	45.6
138.06793	1.5
141.07031	1.6
142.07762	1.2
143.04924	3.7
143.08527	1.3
144.05704	2.9
145.06500	20.7
146.07277	5.4
147.04422	2.3
147.08073	1.6
149.05943	1.3
151.03928	5.7
151.07545	21.4
152.07855	1.6
153.05522	1.1
155.06064	0.9
156.05655	2.1
157.06516	10.0
158.07271	5.4
159.04410	1.7
159.06845	1.2
159.08084	15.7
160.05191	3.7
160.08855	4.6
161.06017	6.5
161.09596	1.3
162.06792	2.2
163.03911	1.6
163.07555	1.6
165.01863	1.6
165.05475	3.9
165.06819	1.5
167.08578	1.1
169.06406	1.3
171.08063	4.5
172.08855	15.5
173.06000	9.2
174.06776	7.6
175.03957	4.7
175.07564	16.1
176.08301	9.3
177.09123	9.8
179.07043	3.6
179.08463	1.1
181.06413	1.7
182.07286	3.6
183.08054	1.7
184.08823	1.5
185.05983	2.5
187.07559	11.2
188.08336	23.8
189.09122	100.0
190.09515	2.2
191.03363	6.4
191.10689	6.7
192.04230	2.2
193.04958	2.3
193.06502	1.0
193.10092	0.9
195.08107	2.7
196.08844	2.8
197.05977	1.7
198.06778	1.6
199.07538	1.8
200.08339	2.4
201.05476	2.2
201.09109	17.5
202.07970	1.5
202.09897	14.5
203.07024	2.6
203.10680	39.4
204.07707	1.0
205.08568	1.6
206.07112	1.1
207.08122	2.2
208.08780	1.7
209.09534	1.1
210.06859	1.7
211.07545	2.8
212.08351	1.4
213.09161	9.8
214.09854	2.0
215.10674	4.2
216.07823	1.3
217.06689	1.0
217.08640	3.5
218.07196	1.3
218.09189	1.2
219.08075	4.4
219.10179	14.1
219.12265	1.2
220.08791	1.1
221.05998	1.7
221.09700	1.2
221.11685	1.8
223.07646	0.9
224.08330	1.9
225.05496	0.8
225.09135	1.8
226.09787	1.0
227.07103	1.5
227.10686	3.0
229.05040	1.2
231.08359	1.4
231.10176	40.2
232.08673	1.1
233.09595	1.5
234.06819	1.2
234.10390	1.8
235.07550	3.1
236.08348	1.6
237.09175	2.2
239.10696	5.1
240.07622	1.0
241.08612	3.4
243.10146	1.5
247.07535	2.6
248.08342	3.3
249.11249	48.3
251.06981	1.6
251.10718	3.1
252.07846	1.2
253.08643	1.9
253.12238	0.9
255.06569	1.4
255.10239	3.0
257.07993	1.0
257.11777	0.9
261.09067	1.6
262.10031	1.6
263.07056	2.3
263.10730	3.8
264.07990	1.6
265.08624	3.2
265.12170	1.0
266.09427	1.1
267.07590	0.8
267.10181	5.8
269.08102	0.9
269.11954	0.9
275.06955	1.8
275.10406	1.2
276.08017	1.5
277.08566	2.8
278.09317	2.2
279.10144	6.8
280.11044	1.2
281.08194	1.7
281.11780	2.0
283.09808	1.3
285.10971	0.9
289.08563	2.0
290.05838	0.9
290.09274	2.4
291.06854	1.2
291.10056	5.3
292.10986	1.0
293.08118	1.7
293.11734	2.6
295.09647	3.4
297.11215	2.1
303.10220	1.8
306.08789	1.4
307.09567	7.6
308.10382	1.7
309.11288	3.9
319.09674	3.6
320.10376	2.3
321.11188	9.8
325.10687	2.2
335.09167	1.4
335.12704	0.9
337.10699	7.8
338.11496	1.9
339.12436	1.9
343.11966	1.1
349.10812	2.2
350.11560	2.5
351.12296	8.6
355.11798	3.2
357.12860	1.1
367.11862	2.1
368.12567	6.2
369.13385	8.4
385.13010	1.0
447.14514	1.1
463.14264	0.9
467.14008	0.9
474.64926	0.9
481.16245	1.0
497.14914	1.9
527.15991	0.9
601.18719	1.2
603.20190	1.3
605.21173	2.7
615.20575	4.7
633.21307	7.8
635.22675	2.4
645.21075	2.2
651.22485	2.1
663.22150	6.1
681.23279	6.7
693.23389	1.4
711.24414	5.8
729.24628	1.0
747.26196	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	747.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
53.95564	0.7
55.01882	3.4
58.06575	0.7
62.88510	0.7
67.05503	1.1
68.99793	0.8
69.03431	0.7
71.52769	0.9
79.05502	2.1
81.03429	13.3
83.04995	1.4
84.08190	0.7
85.02892	0.9
91.04990	0.8
91.05465	3.8
93.03385	0.9
93.07071	0.8
95.04984	1.0
97.02909	2.6
103.05497	1.4
105.03385	1.0
105.07021	1.3
107.04958	3.8
108.05759	1.9
109.02905	1.7
111.04466	0.9
115.05467	2.6
117.07022	1.8
119.04963	0.7
121.06511	1.8
122.03660	0.9
123.04448	10.4
125.02361	8.0
128.06248	2.6
129.07057	3.4
131.04907	2.5
131.08600	0.9
133.06531	1.3
135.04422	3.8
136.05206	1.8
137.02336	1.3
137.05989	23.1
139.03949	1.5
143.04890	1.5
143.08580	0.8
144.05717	1.6
145.06509	10.9
146.07303	1.1
147.04509	1.0
147.08139	0.7
151.03938	3.1
151.07559	100.0
152.07973	1.6
155.03397	7.9
155.06122	1.0
156.05792	0.7
157.06522	4.9
158.07338	3.2
159.04448	0.9
159.08064	4.4
160.05234	2.4
160.08830	1.5
161.05965	5.7
162.06755	1.1
163.03938	0.7
165.05534	1.4
165.06908	1.3
167.03406	2.1
168.05719	0.7
169.06517	1.3
171.08070	3.8
172.08826	8.3
173.05994	7.3
174.06798	7.6
175.07559	10.8
176.08400	4.3
177.09145	2.9
178.07732	0.9
179.03416	1.4
179.08630	0.8
181.06447	4.1
182.07329	1.3
183.08023	1.8
185.06042	1.1
186.06830	0.9
187.07561	6.1
188.08353	14.4
189.09123	54.1
190.07800	0.8
190.09680	1.4
191.07034	1.5
191.10687	3.1
194.07257	1.0
195.08110	2.5
196.08850	6.5
197.06076	1.0
199.07637	1.7
200.08348	2.3
201.05399	0.8
201.09145	8.2
202.09903	6.4
203.07018	0.9
203.10696	16.5
205.08647	2.5
207.08183	0.7
208.08931	1.0
210.10283	0.8
211.07616	1.7
212.08379	3.4
213.09149	6.9
215.10678	1.2
215.52252	0.8
215.97839	0.7
216.07791	2.3
217.08624	3.3
218.09325	0.8
219.10173	15.6
221.11711	0.8
223.07475	0.9
224.08464	0.8
226.09929	3.0
227.10718	8.8
228.11331	0.7
229.08630	1.3
230.89951	0.7
231.10182	29.3
233.09802	0.7
234.10428	1.2
235.07565	1.4
235.09612	1.5
237.09122	1.1
238.09903	0.9
239.10670	2.4
241.08553	0.9
241.12212	1.3
243.10114	0.7
247.07558	1.0
249.09013	1.2
249.11281	15.4
251.10663	0.9
252.11754	0.7
253.12228	1.3
255.10289	1.1
263.10669	2.2
265.12204	1.2
267.10095	1.2
269.11673	1.7
270.12665	1.2
271.06085	1.2
277.08490	1.1
279.10193	0.9
281.11688	2.1
291.10117	1.4
293.11798	1.1
295.09656	1.7
297.11282	1.3
301.07040	0.9
309.11203	5.8
311.12564	1.0
325.10828	1.6
327.12128	1.6
337.10770	3.6
339.12512	1.1
343.11807	2.7
355.11786	3.5
357.13406	8.9
367.11536	1.0
385.12885	8.1
493.03314	0.7
657.34131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01888	0.7
55.05498	1.4
57.03440	1.2
61.02930	4.8
61.18495	0.5
61.37727	0.5
67.05513	4.9
67.20768	0.5
69.03432	2.7
69.07078	0.9
71.52406	0.5
73.02920	3.3
79.05501	4.3
81.03427	1.3
81.07070	5.1
83.08643	1.4
85.02909	3.2
87.04491	0.7
87.46111	0.6
91.03957	1.3
91.05493	1.7
93.07056	4.1
95.04959	1.0
95.08611	4.4
97.02898	3.1
99.04469	0.8
101.02397	1.5
105.07008	1.3
107.05007	0.7
107.08611	2.4
109.02897	1.0
109.10175	2.1
117.07036	0.7
119.08626	1.1
121.10173	1.9
127.03901	0.8
131.08604	0.7
133.10202	0.8
135.11711	3.3
145.10162	2.0
151.07523	1.0
163.11147	4.0
181.12306	0.8
185.04340	0.6
189.09158	1.3
219.10051	1.2
227.12759	2.9
243.08430	3.0
249.11011	8.8
281.18362	0.6
305.13742	3.3
335.25763	1.0
409.04279	0.6
466.36264	0.7
467.19031	11.7
519.29309	5.9
520.29651	0.6
745.41357	100.0
746.41510	4.5
777.37494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
53.97674	0.5
55.05517	0.8
57.03429	2.1
57.07072	0.6
59.06680	0.5
59.48425	0.6
61.02941	4.9
67.05511	4.7
69.03435	3.1
69.07062	1.8
69.51877	4.1
71.05001	0.7
71.81192	0.6
73.02927	4.2
77.56927	0.6
79.05512	3.5
81.03429	1.6
81.07069	4.6
82.21082	0.5
85.02927	4.1
87.19327	0.5
88.18195	0.6
91.03960	2.5
91.05505	2.5
93.07065	4.7
93.32066	0.6
95.08614	4.3
96.97026	0.5
97.02905	4.8
98.20798	1.3
99.04507	0.8
101.02401	1.3
105.07027	1.2
107.08617	2.7
109.10167	1.6
119.08553	1.1
121.10169	1.8
127.03922	0.7
131.08612	1.1
133.10185	0.7
135.11736	2.7
145.10124	1.1
163.11250	1.4
184.07396	0.8
196.87013	0.6
198.54387	0.6
209.47893	0.5
227.12946	1.7
240.74965	0.6
243.05814	0.5
243.08475	2.5
249.10991	11.7
305.13831	1.2
307.53714	0.6
447.33273	0.6
467.18808	4.5
519.29431	8.0
745.41388	100.0
746.41107	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	745.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01876	1.2
63.02373	0.2
65.03937	0.5
67.05500	0.4
68.70536	0.2
68.99801	0.3
69.03435	0.2
71.51985	0.4
77.03938	0.5
79.05504	2.2
81.03417	4.7
81.07047	0.4
83.01343	0.3
83.04971	0.9
85.02930	0.4
89.93047	0.2
91.05477	0.9
93.03413	0.3
93.07026	0.3
95.04974	0.5
97.02906	1.1
103.05462	0.7
105.03378	0.9
105.04482	0.3
105.07028	0.6
107.04958	1.1
109.02894	0.5
111.04449	1.0
115.05462	3.5
117.07005	2.1
121.02834	0.3
122.03674	0.8
123.04427	0.8
125.02366	3.5
128.06242	1.8
129.07014	5.7
130.04164	0.3
131.04916	0.9
131.08548	0.3
135.04420	100.0
136.04750	1.2
137.02400	0.5
137.05986	7.7
139.03885	0.4
139.05447	0.6
141.07042	0.6
143.04900	1.6
145.06499	2.4
147.04518	0.3
147.07988	0.4
147.15651	0.3
149.02342	1.4
151.03915	2.8
151.07550	1.2
152.06242	0.6
152.07942	0.4
153.05843	0.3
153.06992	2.1
155.03397	4.6
155.06143	0.4
156.05768	0.5
157.06491	6.1
159.04448	1.0
160.05226	2.1
161.06004	1.3
165.05609	0.3
165.06996	0.7
167.03452	0.6
167.04973	0.7
167.08589	0.6
169.06470	0.4
172.05222	0.8
173.05992	25.4
174.06561	0.5
175.03912	0.8
175.07573	3.6
178.07750	0.5
179.08578	0.7
181.06493	6.1
184.07509	0.3
185.05975	4.7
186.06836	2.0
187.07562	5.8
189.07050	0.8
189.09143	0.9
190.07813	0.4
191.03436	0.3
191.08575	1.4
191.21422	0.2
193.06531	0.6
195.08047	0.8
197.05959	2.8
198.06740	0.5
199.07678	0.4
201.05501	0.5
201.09204	0.4
203.07040	17.2
204.07330	0.3
205.06580	0.4
205.08588	0.9
207.08121	0.7
209.05995	0.5
210.06824	1.2
211.07593	3.1
213.05510	0.4
215.07033	9.3
216.07639	0.2
217.06671	0.4
217.08586	0.4
219.08072	0.9
223.07516	1.2
224.08511	0.3
225.09166	0.7
227.07008	0.3
233.08093	9.2
235.07553	1.1
236.08563	0.3
237.09210	0.6
239.07144	0.7
247.07568	0.9
249.09135	0.6
251.07199	0.4
253.08614	0.6
254.09331	1.2
255.06644	0.3
263.07132	1.0
265.08676	1.0
267.06488	0.4
267.10284	0.3
275.07065	0.5
277.08719	0.4
279.06512	0.3
279.10129	0.3
283.09628	0.6
291.06369	0.4
293.08154	3.3
295.09717	0.6
303.06982	0.3
309.07700	0.7
311.09091	0.3
321.07635	1.4
323.09256	0.5
323.12692	0.3
325.10504	0.4
339.08627	1.4
341.10199	4.4
341.13882	0.5
351.08716	0.4
357.13391	0.9
369.09750	1.6
387.10513	0.3
641.29578	0.4
745.24670	0.6
760.33411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01876	1.0
65.03933	0.5
68.99784	0.5
69.03445	0.2
71.52713	0.2
72.76105	0.2
77.03927	0.4
79.05499	1.7
81.03419	5.5
83.01366	0.2
83.04983	1.0
85.02931	0.4
91.05515	1.0
93.03417	0.4
95.04955	0.7
97.02901	1.5
98.54407	0.2
101.02265	0.2
103.05447	1.0
105.03398	0.8
105.04510	0.2
105.07026	0.5
107.04953	0.9
109.02907	0.6
109.06548	0.2
111.04438	0.7
115.05458	4.2
117.07023	2.2
119.08592	0.3
121.02836	0.4
121.06523	0.5
122.03662	0.6
123.04414	0.5
125.02355	4.5
128.06239	1.7
129.07013	7.4
130.04137	0.4
131.04916	1.4
133.02928	0.3
133.06480	0.3
135.04419	100.0
136.04758	0.8
137.02423	0.3
137.05981	17.7
138.06244	0.3
139.03896	0.2
139.05441	0.8
141.06989	0.4
143.04919	1.7
144.05638	0.3
145.06490	2.9
147.04419	0.3
147.08075	0.3
149.02347	1.5
151.03915	3.0
151.05077	0.2
151.07529	1.5
152.06186	0.6
153.06993	2.4
155.03404	5.0
155.06039	0.7
156.05724	0.6
157.06497	6.7
159.04384	1.1
159.08083	0.3
160.05206	1.7
161.05983	1.4
163.03830	0.3
163.07495	0.2
165.05650	0.4
165.07013	0.7
167.03398	1.2
167.04938	0.7
167.08583	0.6
169.06451	0.6
171.08003	0.3
172.05226	1.1
173.05991	27.4
174.06656	0.4
175.03923	0.7
175.07550	5.0
177.09099	0.2
178.07748	0.7
179.08565	0.6
180.05646	0.3
181.06474	7.3
183.02972	0.2
185.05980	5.2
186.06802	2.4
187.03926	0.2
187.07545	6.7
188.08276	0.5
189.05505	0.3
189.07014	0.9
189.09106	1.7
190.07753	0.3
191.03397	0.4
191.08466	1.2
193.06450	0.3
195.08022	0.7
197.05986	3.4
198.06810	0.5
199.07602	1.1
201.05382	0.5
201.09140	0.3
202.06203	0.3
203.07031	16.2
205.06635	0.3
205.08562	2.5
207.08130	1.2
209.06021	0.8
210.06743	0.9
211.07539	2.7
212.08292	0.3
213.05481	0.5
213.09157	0.6
215.07036	10.3
217.04758	0.3
217.06686	0.4
217.08502	1.1
219.08138	1.2
221.06085	0.3
221.09570	0.3
222.06793	0.3
223.07532	1.4
225.09071	0.9
227.07059	0.4
231.08125	0.3
231.10150	0.3
233.08086	8.0
235.07489	1.3
235.09692	0.7
236.08363	0.5
237.09087	1.1
239.06985	0.7
241.08611	0.4
245.05864	0.3
246.06906	0.3
247.07622	1.9
248.08218	0.3
249.08968	0.7
249.11307	0.3
251.07140	0.5
252.07924	0.2
253.08514	0.6
254.09424	1.0
255.06543	0.3
255.10173	0.2
256.10995	0.3
261.09390	0.2
263.06949	0.9
265.08585	1.3
267.10098	0.5
273.12332	0.2
273.76263	0.2
275.07007	0.6
277.08627	0.7
279.06665	0.3
283.09512	0.4
291.09967	0.4
293.08093	3.1
293.11200	0.2
293.69415	0.2
295.09549	0.9
297.07516	0.2
303.06503	0.3
305.08191	0.2
307.09494	0.3
309.07437	0.6
311.09210	0.4
321.07532	1.6
323.09119	0.6
323.12665	0.3
325.10745	0.5
339.08640	1.1
341.10254	4.6
343.11606	0.4
351.08606	0.6
357.09467	0.3
357.13284	0.7
369.09552	1.3
369.35873	0.2
387.10434	0.6
745.23596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01878	2.1
56.36061	0.3
65.03933	0.4
67.05492	0.5
68.88248	0.3
68.99798	0.4
69.03458	0.4
71.52286	0.4
75.14725	0.3
79.05500	1.1
80.57480	0.3
81.02990	0.6
81.03425	8.8
82.83552	0.3
83.04990	1.1
85.02938	0.3
89.94921	0.3
91.05480	1.4
94.04189	1.1
95.04960	0.9
97.02903	1.7
103.05483	1.4
105.03393	0.8
105.07020	0.5
107.04976	1.2
107.66232	0.3
109.02868	0.6
109.06565	0.6
111.04436	0.7
115.05465	5.9
117.07031	3.0
121.06525	0.6
122.03632	3.2
123.04436	0.6
125.02366	5.8
128.06238	3.7
129.07018	15.6
131.04898	2.3
132.05647	0.4
133.06464	0.4
133.10156	0.3
135.04431	39.0
135.16316	0.3
137.05991	100.0
138.06342	1.0
139.05438	1.0
141.07059	0.5
143.04945	5.2
143.08537	0.5
144.05672	0.4
145.05397	0.7
145.06502	7.7
147.04407	0.6
147.08025	0.4
149.02345	0.9
151.03899	3.0
151.07532	1.2
152.06169	0.7
153.07025	1.7
155.03419	7.5
155.04770	0.6
155.06076	1.1
156.05737	1.4
157.06506	18.1
158.07359	0.5
159.04425	1.5
159.08096	0.5
160.05214	3.5
161.06003	2.7
162.06761	1.2
163.03917	0.6
163.07584	0.9
165.05557	0.4
165.07034	0.5
167.03494	0.9
167.04970	1.1
167.08545	0.4
169.06506	0.9
171.08087	0.9
172.05222	1.2
173.06000	36.1
174.06770	1.9
175.03949	1.5
175.07561	19.1
177.09082	0.4
178.07800	0.4
179.08630	0.6
181.06493	6.3
184.07481	0.7
185.05998	10.0
186.06763	4.7
187.07559	12.6
188.08369	1.7
189.05516	0.7
189.07271	0.6
189.09090	5.2
191.03412	0.5
191.08589	1.2
195.08083	0.9
197.06009	4.0
199.07562	2.7
201.09109	0.8
203.07054	8.5
203.10594	0.5
205.06628	0.8
205.08606	15.3
207.08099	1.3
209.04471	0.4
210.06755	0.5
211.07567	1.2
212.08371	0.9
213.05565	0.6
213.09076	2.2
215.07045	17.5
217.06619	0.5
217.08588	7.7
219.08090	1.4
219.10097	0.7
221.05984	0.6
223.07660	0.8
224.08469	0.3
225.09091	1.1
227.10583	0.4
231.10233	0.5
233.08090	9.1
234.06790	0.7
235.07559	1.2
235.09673	6.8
235.12102	0.3
237.05466	0.4
238.10040	0.4
239.07129	0.4
239.10832	0.5
240.07870	0.3
241.08618	0.8
247.07541	0.6
249.09145	0.6
251.07059	0.4
251.10721	0.8
253.08585	0.4
255.10396	0.4
256.10849	0.8
263.07114	0.5
264.07956	0.4
265.08621	0.9
267.10138	0.6
269.08112	0.5
271.09720	0.3
277.08603	1.0
279.06561	0.4
279.10095	0.6
293.08148	1.1
295.09662	3.3
297.11060	0.5
313.10751	0.5
321.07678	0.7
323.09195	1.3
325.10699	0.7
339.08649	0.5
341.10300	1.9
343.11801	3.1
351.08310	0.4
353.10159	0.5
355.11581	0.5
369.09641	0.6
371.11353	1.4
387.10950	0.4
389.12436	0.4
618.61816	0.3
622.02948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01878	2.0
62.46225	0.3
65.03931	0.6
66.04724	0.3
66.92779	0.4
67.05508	0.6
68.99820	0.5
71.51862	0.3
79.05502	1.7
81.03425	7.7
81.07050	0.4
83.04973	1.0
84.50546	0.2
84.82101	0.3
85.02907	0.4
85.88796	0.3
91.05502	1.4
94.04211	1.4
95.04964	0.8
97.02899	1.6
103.05492	1.4
105.03430	0.4
105.07037	0.7
107.04969	1.0
109.02908	0.7
111.04453	1.0
115.05470	4.6
115.06258	0.3
117.07036	2.2
121.02842	0.4
121.06523	0.5
122.03645	3.3
123.04467	0.6
125.02366	6.0
128.06232	3.9
129.07021	12.3
131.04956	2.3
132.05733	0.6
133.06528	0.5
135.04431	26.6
137.05991	100.0
138.06372	0.7
139.05470	0.7
141.07019	0.6
142.63779	0.3
143.04944	4.2
143.08592	0.5
144.05797	0.6
145.06491	5.3
147.04428	0.4
147.08073	0.5
148.05132	0.4
149.02350	0.6
149.06000	0.5
151.03928	2.3
151.07553	1.3
152.06218	0.5
153.06956	2.2
155.03413	6.9
155.06099	0.8
156.05717	1.5
157.06503	13.5
158.07187	0.4
159.04449	1.2
159.08069	0.7
160.05225	3.3
161.06000	2.0
162.06749	0.8
163.07523	0.7
165.05486	0.5
165.07016	0.7
167.03406	0.8
167.04959	0.9
167.08438	0.3
169.06529	0.5
171.04523	0.4
171.08087	0.6
172.05258	0.5
173.06001	23.7
174.06815	1.8
175.04039	0.8
175.07562	19.3
176.08099	0.3
177.09123	0.9
179.03400	0.5
179.08606	0.4
181.05011	0.5
181.06512	5.7
183.07954	0.4
184.07416	0.4
185.04356	0.2
185.05978	8.2
186.06773	3.0
187.07556	9.9
188.08397	1.5
189.05490	0.5
189.07300	0.4
189.09129	6.5
190.07896	0.3
191.07059	0.4
191.08586	1.2
193.06670	0.4
195.08134	0.7
197.05963	2.4
199.07544	3.2
201.05511	0.8
201.09163	1.0
202.06242	0.5
203.07047	5.3
203.08795	0.5
203.10646	0.3
205.08618	15.4
207.08112	0.8
209.06113	0.5
211.07567	1.1
212.08302	0.8
213.09106	2.5
215.07048	11.8
217.06674	0.4
217.08601	7.5
219.06281	0.4
219.08348	1.4
219.10031	0.4
221.05948	0.3
223.07585	0.8
225.09186	0.8
231.10173	0.5
233.05852	0.5
233.08093	6.1
235.07523	0.9
235.09642	7.4
237.09177	0.6
239.07071	0.5
239.10849	0.5
241.08658	0.5
247.07570	0.7
249.09195	1.0
251.10733	0.7
253.08664	0.4
255.10341	0.4
256.10999	1.0
263.07034	0.6
265.08615	0.5
267.10248	0.8
269.08078	0.5
275.02802	0.3
277.08585	1.0
279.10126	0.7
281.08203	0.4
293.08066	0.6
295.09564	2.0
297.11218	0.5
311.09174	0.4
313.10760	0.4
321.07706	0.6
323.09143	1.7
325.10648	0.4
335.09039	0.4
339.08728	0.4
341.10385	1.4
343.11771	2.8
353.10196	0.5
355.11725	0.7
359.11414	0.4
371.11209	1.1
387.10709	0.3
581.71826	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.5
55.05500	2.0
65.19081	1.6
67.05498	3.5
69.03408	2.0
71.53472	2.4
71.58908	1.4
72.08150	8.1
77.69394	1.6
79.05488	3.7
81.03419	4.1
81.07054	2.9
83.04977	3.6
91.05480	6.1
95.04956	4.1
103.05480	2.7
105.07010	2.8
107.04943	2.9
115.05470	6.9
117.07013	5.7
119.04984	2.0
119.08613	2.5
121.06530	4.0
123.04408	4.3
128.06218	4.4
129.06999	8.2
131.04903	6.7
131.08597	3.1
133.06517	2.8
133.10103	1.9
135.04425	48.1
137.02348	3.0
141.06985	3.7
143.04951	2.0
143.08551	3.5
145.06503	22.3
145.10170	1.8
146.07256	4.5
147.08041	3.0
148.98331	1.7
149.02327	3.1
149.06001	2.1
151.03954	3.1
151.07564	27.1
157.06506	12.3
158.07300	4.0
159.04453	3.4
159.08072	15.8
160.08830	4.5
161.05957	7.8
162.06760	3.2
163.03864	2.8
165.01894	3.3
165.05478	4.0
169.06412	1.7
171.08020	5.4
172.08839	15.6
173.05986	14.6
174.06747	5.0
175.03925	4.7
175.07523	12.5
176.08295	10.3
177.09106	12.0
178.07771	1.9
179.07048	3.1
182.07211	2.0
185.05946	5.1
187.07570	11.6
188.08331	18.1
189.09125	100.0
190.09671	2.6
191.03413	6.2
191.08755	2.4
191.10652	7.7
192.04221	2.4
193.05009	3.8
195.07977	2.7
196.08847	3.1
198.06685	2.3
199.07654	1.8
201.05566	2.1
201.09106	19.8
202.08194	1.7
202.09792	10.1
203.06993	2.5
203.10687	39.6
207.08167	2.5
208.08568	1.7
213.09143	12.2
215.06944	2.0
215.10674	3.6
216.07761	3.1
217.06412	1.9
219.08098	4.1
219.10172	14.1
221.09552	2.3
221.11671	2.9
224.08202	1.9
225.09125	3.6
226.09904	1.9
227.10388	2.8
231.08128	2.5
231.10176	41.1
234.10445	2.8
235.07550	3.8
237.09004	1.6
239.10675	7.6
241.08522	3.7
244.16907	2.2
247.07588	3.9
248.08345	3.3
249.09033	3.5
249.11246	54.9
251.10695	2.4
253.08572	2.9
255.06390	1.9
255.10110	3.7
255.17574	1.9
262.17908	2.5
263.10645	4.7
265.08688	2.7
265.12076	1.7
267.09964	2.1
269.11661	3.0
275.07074	3.1
276.07843	2.6
277.08667	4.0
278.09488	2.0
279.10162	5.1
281.08231	1.8
281.11801	2.0
283.05905	2.1
289.08649	2.2
290.09412	2.1
291.10233	5.8
293.08096	3.9
293.11716	2.1
295.09720	3.3
305.08157	2.5
307.09659	8.4
309.11237	4.3
317.61536	1.9
319.09586	3.1
320.10263	3.7
321.11188	11.4
323.09241	2.1
325.10648	3.5
333.11197	1.9
337.10892	8.8
339.12283	3.9
349.10852	3.1
350.11523	2.2
351.12277	7.3
355.11539	3.3
357.13297	2.0
367.11813	2.9
368.12543	5.3
369.13275	9.0
436.33417	2.1
599.17267	2.0
603.20093	2.4
613.18359	4.9
615.19781	2.4
631.19733	9.6
633.21295	3.6
643.19556	3.2
649.20203	2.2
661.20605	6.3
679.21698	10.3
691.21564	3.9
709.22266	5.8
727.23322	2.3
745.23413	4.4
759.13019	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	745.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01879	5.5
57.10582	0.8
64.95689	0.8
65.03940	1.7
67.05495	0.9
68.99781	1.6
70.69441	0.8
70.69756	1.9
77.27387	0.8
77.90734	0.8
79.05475	2.7
81.03420	2.9
88.97253	0.8
91.05471	3.1
95.04947	1.9
97.02888	2.1
103.05459	2.2
105.07029	1.1
107.04948	2.3
109.02886	1.7
111.04452	1.1
115.05451	6.9
116.06255	1.1
117.07028	3.8
119.08568	1.0
121.02873	1.7
121.06496	1.8
122.03642	0.9
123.04431	9.3
123.45988	0.7
124.30448	0.8
125.02345	2.7
128.06216	3.0
129.07005	7.1
131.04926	6.1
131.08546	1.8
132.05713	0.9
133.02864	1.5
133.06505	1.7
135.04425	50.7
136.05132	1.3
137.02345	1.9
137.05962	2.8
141.07005	2.2
143.04935	4.3
143.08528	1.9
144.05669	2.3
145.06488	19.9
146.07272	5.0
147.04376	1.9
147.08052	1.6
149.02347	7.4
149.05963	1.3
151.03915	5.0
151.07549	16.5
155.03398	2.8
155.04807	0.8
156.05681	1.3
157.06491	9.4
158.07301	5.2
159.04398	2.5
159.08080	15.2
160.05231	1.9
160.08850	5.0
161.05978	9.6
162.06813	3.8
163.03897	3.5
165.01859	1.7
165.05499	1.4
165.06914	1.2
167.03418	1.1
169.06450	1.9
171.08089	4.3
172.05101	0.9
172.08824	17.4
173.06003	15.7
173.07446	0.5
173.09555	0.9
174.06781	6.6
175.03906	3.1
175.07571	9.5
176.08313	9.5
177.09123	12.8
179.03427	1.7
179.07039	3.0
179.08488	1.3
181.06516	2.4
182.07275	2.9
183.08034	1.6
184.08815	1.8
185.05948	6.3
186.06836	1.0
187.07544	14.8
188.06702	1.5
188.08325	20.0
189.09117	100.0
190.09760	2.7
191.03424	3.5
191.09030	1.1
191.10672	7.8
192.04192	1.3
193.04973	3.3
195.08046	2.5
196.08876	1.9
197.06006	1.5
198.06715	1.1
199.07516	2.5
200.08304	2.7
201.05455	1.1
201.09116	15.9
202.09903	12.7
203.06952	4.5
203.08760	1.7
203.10667	45.1
205.08575	1.2
207.08153	1.9
208.08817	2.0
209.06001	1.3
209.09735	1.7
211.07578	1.5
212.08388	1.2
213.09114	10.7
214.09821	1.6
215.06993	2.2
215.10641	5.8
216.07831	1.5
217.06595	1.0
217.08585	1.9
218.07332	1.6
218.09428	1.1
219.08066	3.5
219.10175	13.7
220.08809	1.2
221.05959	1.1
221.09627	0.8
221.11644	1.0
223.07518	1.8
224.08293	1.9
225.05544	1.4
225.09090	3.2
226.09988	1.2
227.10683	2.5
229.04988	1.7
229.08643	1.4
231.08206	2.2
231.10172	39.9
232.08797	1.6
233.05972	1.2
233.07974	1.7
233.11726	1.2
234.06723	0.9
235.07544	2.9
236.08243	1.1
237.09209	1.6
238.09900	1.1
239.10719	4.5
241.08588	2.8
247.07596	3.3
248.08319	3.6
249.11240	51.4
250.09656	1.3
251.06978	1.7
251.10600	1.8
252.08023	0.8
253.04944	1.6
253.08638	5.2
253.12073	1.1
254.09280	1.2
255.06549	0.9
255.10168	3.2
259.07574	1.4
260.08206	1.2
261.09186	0.9
262.09946	1.4
263.07074	2.7
263.10657	4.1
264.07928	1.0
265.08612	2.7
265.12112	1.3
267.06531	1.6
267.10156	3.8
269.07983	0.9
269.11609	1.0
275.06961	2.5
275.10611	1.0
276.07764	1.0
277.08545	4.5
278.09384	1.8
279.10168	6.4
281.08145	1.6
281.11816	1.7
289.08524	2.3
290.09244	1.9
291.07190	1.1
291.10144	5.2
292.10745	1.2
293.08112	5.0
293.11603	1.9
295.09683	2.5
303.10074	2.2
305.08035	2.2
306.08737	1.6
307.09647	7.7
308.10355	2.6
309.11200	3.3
319.09720	2.1
320.10440	2.5
321.11227	6.6
323.09152	2.3
325.10779	1.5
326.11493	0.9
333.11221	1.3
335.09183	0.9
337.10886	5.2
339.12192	2.6
341.10095	1.4
349.10733	1.2
350.11453	1.7
351.08618	0.9
351.12396	4.6
353.10217	1.9
355.11661	2.3
357.13290	1.0
367.11664	2.5
368.12497	5.6
369.13403	6.1
428.77533	0.9
429.13580	1.1
463.15347	0.9
469.12854	1.4
485.12338	1.2
495.12836	3.4
503.13263	0.8
599.16626	1.6
601.18469	1.0
601.79541	0.8
603.19775	3.5
613.18762	5.1
615.19836	1.3
619.19189	1.0
631.19580	11.8
633.20959	3.0
643.19495	2.1
649.20239	3.3
651.21503	1.1
661.20856	7.6
679.21832	11.1
691.21021	2.9
697.22278	1.3
709.23108	6.4
727.22766	1.1
745.25079	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	745.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.01881	5.2
65.03938	1.3
67.05500	1.0
70.90009	2.3
79.05500	3.1
79.36748	0.8
81.03416	3.0
82.27041	0.9
83.05004	0.9
91.05503	2.8
93.03410	1.1
95.04966	2.6
97.02895	1.4
103.05465	2.5
105.03394	1.4
105.07021	1.8
107.04974	2.1
109.02863	2.1
111.04453	1.5
115.05469	6.9
116.06257	1.1
117.07033	3.7
119.04928	1.5
121.02856	1.4
121.06503	2.3
123.04440	3.8
125.02367	1.0
128.06203	6.4
129.07016	8.9
131.04965	5.8
131.08621	1.5
132.05719	1.6
133.06500	1.5
135.04425	73.8
137.02354	3.3
137.06017	1.0
141.07016	2.2
143.04979	4.1
143.08546	2.0
144.05716	2.5
145.06493	20.0
146.07265	5.0
147.04442	3.1
147.08110	0.9
149.02376	3.6
149.05971	1.7
151.03943	3.3
151.07558	14.0
153.01927	1.0
155.04970	1.0
155.06097	1.2
157.06502	11.9
158.07329	6.1
159.04391	5.9
159.08086	7.3
160.05266	1.7
160.08820	1.9
161.05981	7.3
162.06808	4.0
163.03911	3.6
165.01868	1.4
165.05499	2.5
165.06963	1.9
169.06508	1.9
170.07390	1.1
171.04503	1.2
171.08073	2.9
172.08847	12.4
173.06000	22.3
174.06784	5.2
175.03975	1.8
175.07567	6.1
176.08325	5.0
177.05516	1.1
177.09132	11.2
179.03459	1.0
179.06964	1.9
179.08516	1.5
181.04961	0.9
181.06439	1.7
182.07304	1.2
183.08069	2.3
184.08867	1.2
185.06003	9.1
186.06781	1.4
187.07576	14.3
188.08342	14.8
189.09123	100.0
190.09416	1.9
191.03311	1.6
191.08693	1.7
191.10680	3.7
193.04970	1.3
193.06500	1.0
195.08051	4.0
196.08852	2.3
197.05940	1.8
198.06801	1.7
199.07597	3.1
200.08342	2.5
201.05414	1.1
201.09125	30.6
202.09854	8.6
203.07027	7.4
203.08704	1.2
203.10660	32.5
205.06645	1.2
207.08063	2.8
208.08896	2.3
209.04411	1.3
209.06102	1.5
209.09685	1.1
211.07568	2.4
211.83801	1.0
212.08308	2.5
213.09087	8.7
214.09859	1.2
215.07092	3.7
215.10635	4.9
216.07912	1.1
217.06705	1.0
217.08653	3.2
218.07378	1.3
218.09447	1.0
219.08096	4.3
219.10193	4.7
220.08824	1.8
221.05882	1.0
221.09732	1.4
221.11703	1.0
223.07498	1.4
224.08336	2.8
225.05504	1.0
225.09113	3.6
226.09950	1.4
227.10750	3.6
229.04965	2.0
229.08612	2.6
230.09660	1.0
231.08128	1.7
231.10156	23.3
232.08850	2.4
233.07982	1.6
234.06627	1.0
234.10452	1.1
235.07590	3.0
236.08336	1.9
238.09959	2.2
239.06966	1.1
239.10725	5.5
240.11371	1.1
241.08615	13.2
243.06618	0.9
243.10237	1.2
247.07504	4.6
248.08443	2.0
249.05524	1.1
249.09047	2.8
249.11264	20.7
250.09871	1.7
251.10704	3.3
253.04889	2.0
253.08691	1.8
253.12247	1.7
254.09265	3.2
255.06400	1.5
255.10065	4.6
259.07596	1.9
261.09021	1.3
262.09851	1.5
263.07034	2.6
263.10809	4.3
264.07892	1.0
264.11450	1.1
265.08661	2.9
265.12350	1.4
267.06573	0.9
267.10208	2.9
269.08038	1.9
269.11737	1.5
271.09851	1.2
275.07034	2.6
275.10739	1.9
276.07837	1.4
277.08551	4.6
278.09293	1.9
279.06891	1.7
279.10202	4.4
281.08066	1.3
281.11685	2.1
283.09683	2.0
289.08551	3.0
290.09393	1.3
291.06924	1.3
291.10184	7.5
292.10831	1.5
293.08121	5.0
293.11670	1.7
295.09662	3.3
297.11349	1.0
303.10086	2.0
305.08200	2.2
306.08792	1.1
307.09625	7.1
308.10294	2.1
309.11218	3.1
311.09409	1.5
311.12906	1.3
313.10806	1.1
319.09711	3.6
320.10489	4.3
321.07693	1.7
321.11252	7.4
322.11951	1.1
323.09113	2.6
323.12506	1.2
325.10739	2.4
333.11374	2.6
337.10776	5.2
338.11569	2.0
339.12219	2.1
349.10721	1.6
351.12204	2.1
353.10150	2.3
355.11920	2.1
367.11746	3.2
368.12488	2.8
369.13605	5.4
381.09641	1.3
455.11066	1.0
485.12613	1.6
503.13556	4.0
527.17047	1.0
533.14264	1.6
601.17993	1.6
603.19696	2.0
607.18524	0.9
613.18433	2.8
615.19684	1.9
619.19470	1.3
631.19769	5.9
633.20697	2.8
643.19647	3.0
649.20221	3.4
661.20862	5.3
679.21979	7.6
691.21478	2.8
697.22778	2.0
709.22876	8.9
727.24188	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01872	5.4
65.03934	1.0
68.74043	1.0
77.03923	1.3
79.01884	1.1
79.05497	3.5
79.51714	0.8
81.03413	4.6
83.05019	1.4
91.05477	3.0
93.03400	1.7
95.04965	1.9
97.02894	1.4
101.96496	0.9
103.05455	3.2
105.03370	1.8
105.07066	1.1
107.04957	2.8
109.02879	1.8
111.04456	1.4
113.62420	0.9
115.05467	7.1
117.07018	2.6
121.02840	1.3
121.06526	0.9
123.04426	4.9
127.05418	1.0
128.06226	3.6
129.07014	11.3
131.04933	7.7
131.08609	1.1
132.05693	1.2
135.04431	87.7
136.04851	1.7
137.02318	4.1
141.07002	2.0
143.04959	7.5
143.08501	1.1
144.05708	2.2
145.06506	21.4
146.07256	4.5
147.04422	2.7
149.02327	3.6
149.05951	1.0
151.03918	3.7
151.07559	13.4
153.06964	1.1
155.06058	1.2
157.06520	14.8
158.07283	6.5
159.04398	4.7
159.08089	4.7
160.05164	2.4
160.08844	2.3
161.05992	10.4
162.06752	3.5
163.03954	4.9
165.05525	2.2
165.06897	2.0
168.05783	0.9
169.06548	2.0
171.08090	3.0
172.08868	11.6
173.05992	27.8
174.06740	6.2
175.03931	2.0
175.07549	7.4
176.08401	4.6
176.09790	1.1
177.05482	1.7
177.09116	9.9
178.07834	1.1
179.03378	1.1
179.07013	2.8
179.08536	1.5
181.06497	2.5
182.07262	2.3
183.08041	2.0
183.83565	1.1
184.08910	1.4
185.06027	12.6
186.06810	2.7
187.07544	15.3
188.08330	19.0
189.09129	100.0
190.07831	1.0
190.09521	2.0
191.03297	1.4
191.10672	3.5
193.04974	3.1
193.06511	1.2
195.08057	3.4
196.08813	4.7
197.05984	2.5
197.09561	1.2
198.06793	1.6
199.07625	1.9
200.08397	1.7
201.05325	1.8
201.09116	32.6
202.08109	1.0
202.09888	6.6
203.07048	7.2
203.08818	1.1
203.10672	34.0
207.08052	2.2
208.08739	1.7
209.04341	1.5
209.09509	1.6
211.07527	3.0
212.08449	2.4
213.09099	9.0
215.07085	4.1
215.10619	7.1
216.07791	1.4
217.08603	2.7
218.07149	1.2
219.08057	5.6
219.10167	4.7
220.08687	1.7
221.09673	2.3
221.11823	1.3
223.07567	2.2
224.08279	2.7
225.05421	1.9
225.09091	3.1
226.09898	1.7
227.06950	1.2
227.10660	3.7
229.05014	1.7
229.08607	3.2
231.08145	2.4
231.10167	28.0
232.08702	2.0
233.05957	1.9
233.08075	3.3
233.11789	1.0
235.07512	5.0
237.09155	2.4
238.06119	1.2
238.09927	1.4
239.07117	1.9
239.10699	6.5
240.07970	1.3
241.08589	14.7
243.10193	1.9
247.07487	4.0
247.09818	1.7
248.08351	2.8
249.05463	1.6
249.08994	3.5
249.11217	16.5
250.09840	2.2
251.06859	1.3
251.10699	2.8
252.07576	1.3
253.05008	2.7
253.08533	2.2
253.12157	2.1
254.05527	1.2
254.09370	2.4
255.06567	1.3
255.10175	6.4
257.11774	1.6
261.09088	2.8
262.06354	1.2
262.09915	2.3
263.07071	2.7
263.10562	5.5
264.07840	1.1
265.08618	3.5
265.11975	1.0
267.06577	1.7
267.10150	4.9
269.08145	2.7
269.11752	1.6
271.09885	1.8
275.07037	3.3
275.10458	1.8
276.07809	1.9
277.08636	4.4
278.09412	1.4
279.06552	1.8
279.10159	3.0
280.10947	1.8
281.08054	2.2
281.11691	3.4
283.09668	1.7
289.08575	4.6
290.09296	2.4
291.06424	2.7
291.10095	9.1
292.10800	1.3
293.08124	6.3
293.11752	2.9
295.09705	2.7
297.11258	2.0
303.10007	2.2
305.08069	4.5
305.11591	1.5
307.09677	6.3
308.10306	3.2
309.07849	1.4
309.11157	3.9
311.09329	1.4
317.08170	1.3
319.09564	3.7
320.10510	5.0
321.07825	1.6
321.11267	7.7
323.09186	2.8
324.09882	1.2
325.10654	2.3
333.11130	2.6
337.10599	4.2
338.11493	2.8
339.12268	4.3
341.10281	1.8
350.11362	1.4
353.10272	3.9
355.11823	3.0
367.11725	2.7
368.12408	1.7
369.13379	2.6
429.13333	1.2
485.12338	1.9
497.15912	1.2
503.13266	4.5
527.16864	1.3
585.18488	1.4
601.18188	2.1
603.19629	1.4
607.19196	1.2
613.18500	1.8
615.19763	2.1
619.19586	1.9
631.19727	7.8
633.20752	3.2
641.14856	1.1
643.19580	3.3
649.21130	5.7
661.20758	7.3
679.21918	6.9
691.21387	2.8
709.23059	8.8
727.23169	3.2
745.24554	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45262	1.2
53.03948	1.6
55.01873	6.7
65.03958	1.6
65.78946	1.2
66.93581	1.2
69.96900	5.7
72.38142	1.2
79.05493	4.5
81.03402	4.8
91.05474	4.3
95.04956	2.6
97.02923	1.9
103.05466	3.8
105.03398	2.2
107.04962	2.0
109.02866	3.1
111.04424	2.3
115.05460	5.5
117.07035	4.3
119.04927	1.6
121.02903	2.2
121.06507	1.7
122.03630	1.2
123.04432	5.2
125.02364	2.0
128.06212	5.3
129.07016	11.3
131.04962	7.3
131.08571	1.4
135.04428	99.9
136.04784	5.5
137.02335	5.4
139.20367	1.3
143.04924	7.0
144.05690	2.7
145.06500	24.2
146.07271	5.6
147.04411	2.4
149.02333	5.6
151.03917	3.5
151.07523	12.9
155.05969	1.4
157.06496	14.4
158.07295	7.1
159.04437	5.0
159.08102	5.8
160.05220	2.0
160.08768	2.1
161.06004	6.8
162.06754	4.3
163.03934	4.6
165.01854	2.3
165.05501	2.9
165.06934	1.7
169.06442	1.2
171.08032	3.0
172.05315	1.3
172.08864	11.3
173.05991	29.3
174.06674	5.6
175.03914	2.1
175.07614	6.9
176.08316	5.4
177.05438	1.8
177.06911	1.6
177.09109	12.4
179.07088	3.2
179.08563	2.5
181.06468	2.9
182.07240	3.0
185.05992	11.2
186.06725	4.4
187.07529	15.7
188.08350	18.8
189.09125	100.0
190.09541	1.8
191.08640	2.4
191.10658	3.3
193.04958	2.8
193.06496	1.7
195.08064	2.2
196.08794	2.9
197.06001	2.6
198.06831	1.6
199.07597	2.0
200.08363	2.4
201.05400	1.9
201.09108	35.8
202.08011	1.5
202.09839	5.4
203.07042	9.1
203.08752	1.4
203.10667	33.3
205.04877	1.8
205.06665	1.7
205.08501	2.0
207.08089	5.5
208.08884	1.9
209.04309	1.7
209.06071	1.9
209.09554	2.5
211.07518	2.4
212.08401	1.5
213.09132	9.7
215.06992	3.8
215.10571	6.4
216.07855	1.5
217.08595	3.3
219.08080	6.9
219.10173	5.1
220.08853	1.6
221.05914	1.5
221.09686	1.7
221.11874	2.0
223.07585	3.9
225.05635	1.7
225.09129	6.3
226.09949	2.2
227.07079	1.8
227.10674	4.5
229.08522	2.3
231.08083	2.8
231.10170	25.7
231.12541	1.5
232.08826	1.9
233.08115	4.5
233.11700	1.4
235.07513	4.7
236.08235	1.5
237.09113	3.2
238.06332	1.8
238.09897	1.8
239.06992	2.8
239.10663	6.5
240.07854	1.4
241.08633	15.0
241.12170	1.4
242.09369	2.3
243.10170	2.4
246.06612	1.7
247.07547	5.1
248.08322	3.6
249.09053	2.0
249.11264	16.1
250.09891	1.4
251.07025	3.1
251.10674	3.3
252.07526	1.7
253.04979	2.0
253.08728	1.5
253.12292	2.1
254.09508	2.3
255.10179	6.0
259.07446	2.3
262.09781	2.5
263.07080	3.6
263.10660	5.9
265.08649	3.4
265.12308	2.9
266.09399	1.9
267.10162	4.3
269.08044	3.4
269.11734	1.9
271.09561	2.2
275.07123	3.0
276.07941	2.1
277.08521	5.2
278.09277	2.2
279.10211	4.5
280.11093	1.5
281.08347	1.2
281.11746	3.6
283.09735	2.2
289.08603	3.5
290.09326	2.2
291.07260	1.5
291.10162	7.3
292.10886	1.8
293.08105	5.2
293.11523	2.1
295.09659	4.6
297.11548	1.4
303.10098	4.0
305.08060	6.1
306.08832	2.3
307.09695	7.8
308.10568	2.2
309.11090	3.4
311.12881	1.8
313.10699	2.1
319.09564	2.7
320.10547	4.6
321.11230	9.3
323.09058	2.7
325.10593	3.0
333.11203	3.4
337.10699	4.8
338.11475	3.9
339.12308	2.2
341.10034	1.5
350.11688	1.7
351.12436	1.8
353.10294	1.7
355.11795	3.1
357.13382	1.4
367.11716	3.7
368.12216	1.6
369.13364	3.3
429.13535	1.5
503.13297	3.8
533.14215	1.7
601.18732	2.3
603.20294	2.4
613.18085	2.7
615.19788	2.4
619.18695	2.0
631.19568	7.3
633.20538	2.5
643.19714	2.0
649.20630	5.4
661.20844	6.0
679.21216	5.4
691.21381	3.3
697.22186	2.2
709.23206	9.6
727.23328	4.2
745.24335	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	744.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.05515	15.0
57.03432	7.6
57.07086	1.5
59.04990	2.3
61.02927	4.1
61.71224	1.1
62.88480	1.0
65.03951	3.6
67.05511	87.2
69.03429	1.7
69.07074	15.5
70.02178	4.7
71.04998	20.9
78.65034	1.1
79.05500	32.7
81.03428	3.1
81.07063	38.9
83.04986	4.3
83.08629	10.4
85.02891	3.2
85.06544	3.4
91.05491	23.5
93.07050	41.4
95.04971	3.4
95.08614	28.9
97.02906	2.6
97.06520	3.8
97.10172	1.9
99.08094	1.2
105.04529	1.4
105.07035	11.7
107.08601	22.7
109.10167	63.5
111.08092	4.5
111.11739	1.2
112.20924	1.2
117.07014	4.2
119.08589	13.7
121.10156	17.6
123.11707	2.5
125.09598	1.2
129.05437	1.1
131.07712	1.1
131.08553	6.4
133.10114	7.4
135.11707	16.4
137.09637	9.2
143.08559	1.8
145.10173	7.2
147.11682	4.0
149.13278	3.3
150.41565	1.2
155.10715	3.1
156.10454	1.0
157.10112	1.2
159.11696	4.0
161.13284	1.7
163.11229	4.4
165.12698	1.3
169.12216	1.4
173.11740	6.2
173.13300	4.2
175.14838	1.4
181.12144	1.4
187.14806	1.7
188.28177	1.2
199.14818	1.7
229.14430	1.5
243.15747	1.4
255.16011	5.1
261.22247	2.8
287.18579	17.3
335.25845	29.0
337.27136	1.4
465.35583	1.9
471.34476	2.3
489.35785	100.0
490.36060	4.3
503.37036	3.7
515.37396	12.8
547.40002	87.5
548.39868	2.9
591.25879	1.4
648.08826	1.2
744.46100	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	744.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06889	0.7
55.01880	1.5
55.05505	1.0
57.03450	1.0
57.99628	0.8
60.32421	0.7
61.02935	1.3
67.05491	1.9
68.99811	1.2
69.03430	3.8
70.06592	2.9
71.04984	1.0
71.07796	1.8
75.04475	0.9
79.05488	1.5
81.03422	8.3
81.07051	1.2
84.08149	1.4
85.02919	9.8
91.05484	2.2
93.07056	1.7
95.04993	1.1
97.02909	4.1
103.05460	1.2
105.03398	1.1
105.07087	1.0
105.69880	0.9
107.04927	2.0
109.02879	2.9
111.04452	1.7
115.05437	2.4
117.07030	1.1
119.04926	1.0
121.02862	1.6
121.06537	1.2
125.02364	2.9
127.03906	1.7
128.06252	1.3
129.07005	1.8
131.04901	4.4
135.04402	1.7
136.05199	2.5
137.02332	1.3
137.05960	2.0
139.03905	3.0
139.07567	2.4
143.04948	1.5
145.04968	2.1
145.06496	2.5
146.07346	1.1
147.04433	2.7
149.02356	3.4
151.03900	1.9
151.07556	68.3
153.01833	5.8
153.05511	0.8
155.03392	1.2
157.02852	1.2
157.06464	5.0
158.07306	7.8
159.04417	11.6
159.08017	2.7
161.06017	4.6
163.03940	2.9
165.05498	1.3
165.09105	1.2
167.03416	57.3
167.07076	1.4
171.04456	2.3
171.08047	0.9
172.08861	5.5
173.05991	3.4
174.06793	19.2
175.03900	4.5
175.07533	1.9
177.05539	3.9
177.09152	3.5
179.03419	2.0
179.07069	2.0
181.04935	2.2
183.02879	1.5
186.06831	2.9
187.03918	23.6
187.07578	3.1
188.08353	9.6
189.05486	3.5
189.09120	45.4
191.03398	1.7
191.07089	1.1
191.10692	1.4
200.08412	1.7
201.09122	65.8
202.09877	6.3
203.10699	15.5
204.03928	0.9
205.04971	19.9
205.06723	1.6
207.08167	0.9
213.09158	1.5
214.09927	1.0
215.10576	1.4
217.04984	18.2
219.06512	1.8
219.08170	1.9
219.10152	16.3
220.08754	1.8
231.08119	1.5
231.10193	13.0
232.08806	1.1
232.10999	1.0
235.05913	10.0
237.09251	0.8
238.09898	1.4
239.10628	1.0
241.08572	1.6
247.07552	3.1
248.08276	2.5
249.09062	1.6
249.11270	17.1
251.07007	1.4
253.12358	1.2
256.10748	1.2
257.08133	1.8
262.09988	1.0
263.07092	2.5
263.10678	0.9
264.07806	1.6
265.07022	21.1
267.06473	1.3
267.10190	1.4
267.68066	1.0
268.07458	1.4
269.08105	2.2
269.17654	1.2
275.07047	1.4
276.07877	2.3
277.08640	3.0
278.09412	3.0
279.06516	2.7
279.10162	2.8
281.08270	1.3
281.11884	1.4
284.06839	1.4
285.07596	2.9
291.06604	2.6
291.10150	7.7
292.07196	1.0
293.08170	7.8
293.11459	1.5
294.08966	5.8
295.09488	1.0
297.07578	1.8
297.10910	1.0
305.08099	3.4
306.08942	4.9
307.06219	2.1
307.09787	2.3
308.06934	1.3
309.07925	1.4
309.11182	4.8
310.08325	1.4
314.07849	8.7
315.08597	4.8
318.08722	1.9
319.09659	4.3
321.07562	2.1
321.11084	1.4
322.08435	3.6
323.09094	3.9
324.09933	3.3
325.10754	3.6
327.08667	1.1
335.09201	1.0
336.10010	4.3
337.07031	1.5
337.10660	13.1
340.09332	3.2
349.10733	4.7
349.23911	1.3
352.09225	2.0
355.11826	25.6
357.13293	1.1
367.07150	1.4
367.11804	44.1
385.12851	100.0
386.13220	1.7
589.63074	1.0
705.62213	1.0
748.05328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
53.15737	0.5
54.51876	0.5
55.01878	3.1
63.20542	0.6
65.03583	0.6
65.03931	2.0
66.04713	1.0
67.05499	1.9
68.99792	1.1
69.03418	1.7
69.89600	1.4
69.89994	1.1
77.03916	0.6
78.04694	0.6
79.05490	3.9
81.03425	32.3
81.07041	1.7
83.04976	2.1
85.02902	1.7
91.03970	0.5
91.05482	5.0
93.07040	0.8
94.04189	2.6
95.04964	3.5
95.08564	0.9
96.87216	0.5
97.02886	2.0
103.05483	1.6
104.66559	0.5
105.03391	0.6
105.04507	0.8
105.07030	4.3
105.35258	0.5
107.04975	4.6
108.05730	1.5
109.02884	4.1
109.06510	2.3
109.10105	1.3
111.00757	0.6
111.04478	1.4
115.05473	3.2
116.06184	0.6
117.07016	2.1
119.04961	1.2
119.08607	1.6
121.02898	0.7
121.06502	2.4
121.10157	0.6
122.03645	5.2
123.04418	2.1
125.02351	4.7
128.06245	1.7
129.06978	2.5
131.04935	2.4
131.08583	1.1
132.05724	1.1
133.06488	3.7
135.04434	2.2
135.08054	0.7
136.05199	3.5
137.02411	1.3
137.05988	61.6
138.03123	1.0
139.03879	1.4
139.07526	1.5
141.07014	0.9
143.04951	1.4
143.08659	0.7
144.05705	2.2
145.06497	5.7
146.07304	2.1
147.04405	1.7
147.08057	2.5
149.02306	0.8
149.05995	2.1
151.03993	2.8
151.07553	100.0
152.07956	1.3
153.01787	0.6
155.03398	4.0
155.07072	1.6
157.06537	1.6
158.07260	2.7
159.04451	1.1
159.08061	4.5
160.05228	1.9
160.08861	1.8
161.05997	10.4
161.09549	0.9
162.06642	0.8
163.03906	1.3
163.07489	1.1
163.11273	0.7
165.01819	1.5
165.05489	42.0
165.06790	2.2
165.09148	1.5
167.03412	2.7
167.07011	0.7
169.06488	0.7
170.07352	0.8
171.08047	1.7
172.05199	0.8
172.08824	3.3
173.05954	2.5
174.06775	3.7
175.03940	4.4
175.07561	12.8
176.06856	0.6
176.08298	2.4
177.05487	1.0
177.09126	5.6
179.03444	0.8
179.07104	1.0
179.08592	1.2
181.06470	1.2
182.07202	0.7
183.08090	1.1
184.05226	0.7
185.05992	1.3
186.06783	1.3
187.07570	7.3
188.08325	6.7
189.05446	2.1
189.09120	27.5
190.07799	1.0
191.03407	1.8
191.07036	0.9
191.08589	4.9
191.10550	4.2
193.08678	1.1
194.07281	1.2
195.08078	1.3
196.08856	3.1
199.07521	4.0
200.08270	1.4
201.05482	1.2
201.09119	5.4
202.06056	0.6
202.07777	1.8
202.09889	2.6
203.06981	1.6
203.08638	2.5
203.10699	7.9
204.07826	2.1
205.06737	0.7
205.08545	2.7
206.07253	0.9
207.06381	0.8
207.08121	1.0
208.08847	1.1
209.09618	0.7
211.07549	1.7
212.08260	1.0
213.09152	3.4
216.07840	1.8
217.05051	1.3
217.08591	5.7
218.05527	1.0
218.07339	1.5
218.09419	4.5
219.06207	4.4
219.08116	6.0
219.10205	16.4
220.08783	1.9
221.06059	1.0
224.08344	1.3
225.09036	1.1
226.09946	1.9
227.07062	0.8
227.10648	4.5
229.08621	4.5
231.08040	2.4
231.10146	11.2
232.08759	0.8
233.07970	0.9
235.07707	1.2
236.08414	1.9
237.09163	1.3
239.07146	0.8
239.10730	1.3
240.07841	0.6
241.08618	0.7
241.12294	0.7
243.10332	0.8
246.04279	0.5
247.07532	2.4
247.09708	7.3
248.08359	2.3
248.10634	0.9
249.09053	1.6
249.11278	9.5
251.07149	0.5
251.08011	0.7
251.10713	9.2
253.08452	0.8
259.07507	1.4
260.08328	1.2
263.07053	1.2
263.10666	2.1
264.07944	1.6
265.08652	2.3
267.10156	0.7
269.11758	1.1
270.09137	0.6
272.10443	1.1
275.10760	0.6
276.07803	1.3
277.08685	2.5
278.09482	1.2
279.10147	7.9
280.11026	0.9
281.08026	1.5
281.11798	2.0
283.06116	1.2
283.09729	1.8
283.13144	0.6
285.11240	1.7
291.10062	4.2
292.11044	1.4
293.08151	1.0
293.11694	1.5
295.09625	1.3
296.10510	1.5
297.11176	1.6
307.09549	1.6
308.10294	0.8
309.11194	4.8
310.12091	0.6
311.12793	25.5
312.13269	0.6
313.14355	2.0
319.09909	0.7
321.11124	1.1
322.11880	1.2
323.09354	1.1
323.12811	6.7
324.13708	0.9
325.10739	2.1
325.14160	1.0
327.12329	0.7
336.09885	0.9
337.10797	1.3
339.12231	1.4
341.10321	0.7
341.13928	1.5
351.08795	1.0
352.09647	0.8
353.10184	1.9
355.11783	4.3
357.13437	3.9
367.11841	1.8
371.11514	1.6
372.12045	3.6
373.12857	4.2
383.11331	6.1
384.11856	1.1
385.12921	8.9
401.12344	9.0
402.13113	15.5
406.35315	0.6
413.17899	1.5
454.70786	0.6
467.18671	1.1
632.23053	0.6
639.29938	7.8
713.25922	1.3
743.26624	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	743.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01882	1.4
55.05505	0.2
57.85784	0.2
65.03961	0.3
67.05515	0.2
68.99805	0.4
69.03432	0.3
70.83475	0.2
72.08158	0.3
74.64441	0.1
77.03955	0.5
79.05496	1.8
81.03426	4.3
81.07048	0.2
83.04979	1.0
85.02921	0.2
91.05489	0.7
93.03419	0.3
93.07039	0.3
93.75269	0.1
95.04987	0.7
97.02905	1.2
102.04708	0.2
103.05482	0.9
104.02124	0.2
105.03411	0.8
105.04488	0.2
105.07037	0.6
107.04948	0.6
109.02907	0.2
111.04462	0.9
115.05470	4.1
117.07037	1.9
119.05001	0.2
121.02870	0.3
121.06499	0.3
123.04447	0.4
125.02365	3.5
127.05408	0.2
128.06241	2.1
129.07018	8.6
130.04161	0.3
131.04936	1.2
131.08557	0.4
133.02879	0.2
133.06544	0.5
135.04428	100.0
136.04744	0.9
137.02361	0.4
137.06007	1.0
139.03909	0.2
139.05457	0.6
139.09911	0.2
141.06996	0.3
143.04922	2.3
145.06497	2.8
145.10063	0.2
147.04440	0.2
149.02354	2.2
149.05945	0.1
151.03902	1.0
151.07451	0.2
152.06230	0.4
153.01865	0.2
153.07031	1.7
155.03410	5.0
155.06073	0.6
155.08633	0.1
156.05634	0.9
157.06500	8.8
159.04428	1.3
160.05211	1.1
161.05998	1.2
163.03822	0.2
165.05521	0.2
165.06998	0.6
167.03398	0.6
167.04938	0.8
167.08632	0.4
169.06497	0.3
172.05182	0.7
173.06000	29.5
174.06436	0.2
174.44197	0.1
175.03941	0.6
175.07571	1.1
178.07736	0.2
179.03366	0.4
179.07158	0.2
179.08572	0.6
180.05714	0.3
181.06502	5.4
185.05994	7.0
186.06775	2.8
187.07562	6.6
189.05484	0.3
189.07053	0.4
190.07796	0.4
191.08574	1.0
193.06505	0.3
195.08070	0.6
197.05988	3.1
198.06656	0.2
199.07558	0.6
201.05467	0.5
203.07047	17.5
204.07414	0.4
205.06583	0.3
205.08572	0.4
207.08098	0.8
209.05988	0.5
210.06786	0.8
211.07555	2.1
212.08273	0.3
213.05467	0.5
215.07050	12.1
216.07454	0.2
217.06471	0.4
219.06319	0.1
219.08182	1.1
221.06039	0.2
222.06766	0.2
223.07611	1.1
225.05527	0.3
225.09061	0.7
227.07059	0.3
233.08110	9.9
234.08601	0.2
235.07582	1.1
236.08331	0.5
237.09180	0.5
239.07008	0.5
247.07550	1.1
248.08173	0.3
249.09090	0.7
251.07047	0.4
253.08549	0.4
254.09377	0.7
263.07037	0.7
265.08496	0.9
267.06418	0.2
267.10114	0.2
269.07886	0.2
275.07001	0.6
277.08588	0.5
279.06516	0.3
281.08051	0.2
283.09790	0.2
293.05002	0.2
293.08112	2.9
295.09610	0.5
297.07495	0.2
303.06393	0.3
305.07864	0.2
307.09418	0.2
309.07455	0.4
309.11407	0.2
311.09305	0.2
321.07684	1.3
323.09100	0.6
325.10681	0.4
339.08664	1.0
339.12076	0.2
341.06360	0.2
341.10248	3.1
351.08536	0.6
355.11740	0.8
357.09659	0.3
369.09564	1.2
378.57025	0.2
387.10846	0.2
689.97021	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01865	1.0
55.05496	0.4
55.51250	0.2
57.06131	0.2
67.05505	0.6
68.09139	0.3
68.99791	0.3
70.05025	0.2
70.06613	0.3
70.82794	0.6
71.07382	0.6
72.08163	1.8
75.56973	0.3
77.03941	0.5
79.05482	1.7
81.02985	0.4
81.03422	4.9
81.07056	0.7
81.29469	0.2
83.04992	1.4
85.02901	0.3
91.05498	1.5
93.07049	0.7
95.04955	1.3
95.08625	0.5
97.02899	1.5
103.05467	0.6
105.03386	0.8
105.04507	0.4
105.07055	1.8
107.04974	1.1
107.08616	0.3
109.02822	0.4
109.06537	0.3
111.04446	0.8
115.05462	3.4
117.07025	2.5
119.08649	0.7
121.06549	0.5
122.94171	0.3
123.04424	0.4
125.02357	3.2
128.06226	1.5
129.07027	5.3
130.04176	0.3
131.04961	1.4
131.08562	0.7
133.06509	0.3
133.10156	0.3
135.04427	100.0
136.04787	0.6
137.02386	0.3
137.05992	1.3
139.03876	0.3
139.05463	0.4
139.09889	0.6
141.07042	0.3
143.04944	1.2
143.08582	0.6
144.05701	0.3
145.06508	2.4
145.10144	0.9
147.04408	0.3
147.08107	0.4
147.11661	0.3
149.02364	2.2
151.03888	1.0
151.07538	0.5
152.06239	0.4
153.07018	1.3
155.03418	4.1
155.06107	0.4
157.06505	5.2
157.10069	0.3
159.04446	0.9
159.07990	0.2
160.05225	1.0
161.05946	1.4
161.19753	0.3
163.03879	0.3
165.05621	0.3
165.06972	0.6
167.03525	0.3
167.04924	0.5
167.08569	0.6
169.06500	0.3
169.10176	0.5
171.04385	0.4
172.05264	0.6
173.05997	20.7
175.03957	0.4
175.07629	1.3
178.07819	0.4
179.08562	0.6
180.05748	0.3
181.06506	5.2
185.05997	4.3
185.13321	0.4
186.06776	2.5
187.07561	3.8
189.07072	0.7
189.09149	0.8
190.07910	0.3
191.08607	1.1
192.09427	0.3
193.04962	0.3
193.78502	0.3
195.08121	0.4
197.06007	2.1
199.07561	0.4
201.05605	0.5
203.07050	14.4
205.06512	0.4
205.08424	0.3
207.08128	0.4
209.06064	0.7
210.06795	0.9
211.07578	2.1
212.08362	0.5
215.07048	6.9
219.08098	1.0
223.07658	0.9
225.09100	0.4
233.08102	8.0
235.07632	0.8
236.08356	0.4
237.09047	0.7
239.07121	0.5
247.07620	0.7
249.09142	0.5
253.08621	0.8
254.09413	1.0
262.18338	0.4
263.06903	0.4
265.08633	1.0
266.80606	0.3
275.07245	0.3
277.08621	0.4
291.06500	0.4
293.08078	2.1
295.09763	0.6
303.06705	0.3
311.09021	0.3
321.07684	0.5
323.09177	0.5
325.10776	0.5
339.08670	0.9
341.10181	2.9
351.08755	0.6
355.11902	0.6
369.09549	0.8
387.11057	0.4
453.14328	0.3
523.35425	0.6
541.36365	0.5
617.26324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.01865	1.3
55.05514	11.5
57.03183	0.4
57.03442	8.6
57.07073	1.5
61.02914	2.0
62.83688	0.5
65.03934	0.6
67.05510	32.9
69.03439	2.3
69.07076	7.7
71.04999	3.3
71.38057	0.7
79.05499	25.6
81.03423	29.5
81.07063	34.5
82.07405	1.0
83.04987	7.0
83.08154	1.2
83.08625	14.5
85.02909	10.3
85.06541	1.4
91.05489	18.3
92.05814	0.9
93.07052	22.2
94.07365	0.7
95.04977	13.8
95.08614	23.5
96.08965	0.5
97.02890	2.6
97.06522	2.6
97.10176	2.3
99.04474	0.5
99.08046	1.0
105.04516	0.8
105.07038	15.4
107.04979	2.4
107.07886	0.8
107.08601	13.2
109.06516	3.1
109.10160	9.8
111.04459	1.5
111.08076	5.3
113.06027	1.4
115.05502	0.7
116.07101	0.8
117.07020	2.4
119.08591	12.8
121.06507	0.8
121.10149	11.9
123.08082	2.1
123.11725	3.7
125.09655	0.9
129.06999	5.1
131.08580	7.6
133.06487	1.5
133.10129	8.2
135.08070	0.8
135.11708	8.1
136.12045	1.1
137.09622	1.1
142.07837	0.9
145.10129	4.6
146.10478	0.6
147.08038	1.2
147.10536	0.8
147.11687	9.6
149.09659	2.6
149.13263	2.1
151.11241	1.0
157.10143	7.1
159.11720	1.6
161.13263	1.8
163.11192	2.9
163.14821	1.2
164.11566	1.4
165.12793	2.0
173.13286	1.9
175.11200	6.5
175.14850	1.0
181.12230	0.7
185.13306	0.6
187.14911	0.8
193.12260	21.4
195.83221	0.5
211.13307	28.1
227.12851	3.1
228.13184	1.8
229.14377	0.5
243.21066	1.1
244.21254	0.6
249.14679	0.6
261.22171	6.5
267.15909	8.9
283.15576	3.0
284.15866	1.6
285.16980	33.1
317.24847	1.6
335.25821	56.9
336.26096	4.7
337.26505	2.3
435.32568	0.7
442.99271	0.7
453.34006	0.9
471.34567	0.6
509.36032	1.2
527.37433	7.3
543.37097	0.7
544.37317	2.1
545.38367	100.0
546.38934	3.3
689.43207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51777	0.6
53.03946	4.1
53.84124	0.5
55.01861	2.2
55.05274	1.0
55.05518	13.0
57.03441	11.5
57.07074	1.8
59.04990	0.6
61.02916	2.0
63.02021	0.6
65.03934	2.2
67.05509	34.2
69.03434	3.7
69.07070	9.5
71.05002	3.5
73.02917	0.7
79.05501	27.9
81.03424	42.0
81.07063	38.6
82.07384	0.6
83.04988	9.2
83.08626	17.8
83.09126	1.1
84.08943	0.5
85.02913	13.6
85.06532	1.6
91.05487	24.6
93.07049	29.3
94.07418	0.8
95.04974	17.4
95.08613	25.6
96.08916	0.9
97.02906	3.2
97.06524	3.5
97.10175	3.8
99.04465	1.1
99.08105	1.2
105.04541	0.8
105.07037	17.7
107.04971	2.4
107.07886	0.9
107.08603	16.4
107.09723	0.6
108.08916	0.8
109.06518	2.9
109.10170	9.7
111.04464	2.0
111.08087	7.5
113.06011	1.2
117.07019	3.5
119.04912	0.8
119.08591	15.9
121.06519	1.3
121.10155	14.6
123.08078	2.4
123.11698	4.0
125.09609	1.0
129.07022	6.5
131.08578	10.1
133.06499	2.0
133.10139	9.4
135.08095	0.8
135.11705	7.0
136.12067	1.5
137.09615	1.2
137.13281	0.7
142.07777	1.6
145.10143	4.1
147.08070	2.2
147.11699	12.3
149.09630	3.5
149.13286	2.5
149.35016	0.5
151.11186	0.6
157.10150	7.7
159.11737	2.2
161.13301	1.9
163.11192	2.4
163.14864	1.2
164.11505	0.7
165.12788	2.3
168.71391	0.5
172.86435	0.6
173.13292	1.4
175.11212	9.8
187.14896	0.6
193.12260	31.0
211.13307	39.7
214.64514	0.6
227.12738	3.3
228.13235	0.8
243.21146	1.3
249.14871	0.9
261.22214	5.9
267.15921	10.1
283.15512	1.9
284.15759	1.1
285.16989	39.2
286.17160	0.7
288.61459	0.6
317.24832	1.4
335.25827	45.2
336.26242	2.5
337.26544	1.0
435.32870	1.8
440.89856	0.5
446.17929	0.6
453.33731	0.8
471.34650	1.3
527.37402	9.3
544.37262	1.0
545.38403	100.0
546.38739	3.3
722.04364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01878	5.1
55.05517	13.5
57.03439	10.4
65.03960	0.9
65.30456	0.8
65.96584	0.9
67.05510	24.4
69.03445	5.4
69.03751	1.1
69.07076	7.4
70.06583	1.4
71.05000	6.6
71.25457	1.5
72.08120	0.9
79.05502	27.1
81.03427	47.0
81.07066	24.6
83.01269	0.8
83.04993	6.2
83.08626	15.5
84.08146	1.3
85.02891	3.1
85.06538	1.6
86.09710	1.7
87.04448	0.7
91.05491	20.1
93.07052	19.6
95.04984	22.4
95.08615	11.8
97.02874	2.9
97.06549	5.5
97.10184	14.5
99.04464	1.0
99.08128	0.7
103.05463	1.2
105.04501	1.2
105.07037	15.0
107.04965	20.2
107.08608	14.1
109.02876	1.9
109.06527	20.5
109.10166	7.1
111.04424	2.1
111.08104	6.2
113.06034	0.7
115.05460	1.9
117.07040	5.2
119.04957	1.1
119.07803	1.0
119.08589	11.8
121.06516	12.2
121.09326	1.1
121.10153	13.0
123.04445	2.6
123.08103	4.6
123.11679	1.2
125.05979	0.8
125.08778	1.0
125.09647	14.7
127.03886	0.9
129.07013	9.5
131.04909	2.2
131.08583	13.0
133.06541	4.0
133.10120	6.4
135.08064	9.2
135.11661	2.9
137.05969	3.3
137.09613	2.1
138.92030	0.8
139.11189	2.7
141.06976	2.1
142.07770	1.5
143.08571	3.0
143.10744	1.0
145.06511	6.0
145.10129	5.8
147.04413	2.3
147.08064	5.8
147.11697	7.6
149.05904	1.1
149.09621	7.6
151.07571	3.8
153.09138	3.6
153.12787	0.9
155.08568	1.9
157.06543	1.2
157.10156	8.9
159.08047	2.2
159.11684	2.6
161.06018	2.2
161.09595	2.2
163.07568	1.0
163.11209	6.5
165.09137	1.4
165.12762	2.1
165.37321	0.8
167.07062	0.9
167.08612	1.2
167.10741	1.5
169.10100	1.4
171.08028	1.9
171.10258	1.2
171.11687	2.3
173.09596	2.3
173.11932	0.9
173.13293	3.6
175.07602	1.1
175.11160	7.2
177.12769	1.2
183.07959	0.9
183.11649	0.8
185.11771	1.4
185.13274	1.8
185.39290	0.7
187.07544	0.9
187.11203	2.5
187.14839	1.7
189.09241	1.7
189.11218	5.6
189.12726	1.6
191.10727	1.2
191.14336	5.3
193.12242	15.7
195.11684	1.5
197.09566	1.0
197.13219	1.2
199.11298	1.9
199.13145	0.8
201.12727	1.4
203.10835	1.1
203.14305	0.9
205.12265	1.7
209.11755	1.7
213.12912	1.1
215.10686	0.8
215.14308	1.7
217.12204	1.6
219.13826	13.0
223.11266	1.3
223.13075	1.6
225.12729	0.9
227.12762	2.9
229.14349	2.0
231.13731	1.2
233.15410	4.5
237.12706	1.5
237.14870	1.6
241.14348	0.8
243.13791	1.0
245.15483	1.4
248.07469	0.8
249.14963	1.2
255.13846	1.5
259.13263	1.0
259.15451	7.4
267.15930	37.9
268.16302	0.8
273.14880	6.9
283.15308	1.1
285.17023	1.9
287.16183	1.0
293.17566	6.1
301.16525	1.6
309.16919	1.1
321.22009	1.2
339.23148	2.4
349.21658	3.9
357.24249	2.2
367.22717	12.5
385.23795	21.6
403.24765	8.2
433.26099	1.8
441.26419	7.2
451.27011	8.1
459.27466	97.1
460.27805	2.6
477.28534	100.0
478.28848	3.4
491.30292	8.3
495.29578	10.9
501.28442	3.7
509.30765	3.5
567.29236	1.9
603.31586	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01864	4.4
55.05279	1.0
55.05518	16.1
55.53650	0.7
57.03440	10.0
61.02924	1.0
61.27860	0.9
65.03947	1.6
67.05511	22.4
69.03443	4.4
69.06776	0.8
69.07069	7.1
70.06590	1.7
70.77645	1.8
71.05006	4.7
73.02930	0.9
77.03849	0.8
79.05498	25.4
81.03425	50.9
81.07066	21.7
83.04990	7.0
83.08153	1.1
83.08630	15.6
85.02902	2.0
85.06570	1.8
91.05490	21.0
93.07052	20.8
95.04980	24.0
95.08623	10.5
97.02890	3.7
97.06535	3.7
97.10185	15.9
99.04449	1.6
99.08107	0.8
103.05454	3.6
105.07040	18.1
107.04969	21.0
107.08595	14.5
109.02857	1.8
109.06528	19.0
109.10159	4.9
111.04438	2.0
111.08073	4.1
113.06016	1.1
115.05440	2.9
117.07034	6.1
119.04984	1.2
119.08598	11.1
121.06519	13.8
121.10160	10.2
122.03632	1.1
123.04412	1.6
123.08083	5.7
123.11745	1.1
125.06057	0.9
125.09647	12.8
127.03931	4.8
128.06223	1.8
129.07021	8.9
130.24010	0.8
131.04964	9.0
131.08578	19.0
133.06516	4.6
133.10139	6.2
135.08066	10.8
135.11714	2.0
137.05959	8.6
137.09607	1.3
139.11156	3.2
141.06964	2.3
142.07756	2.9
143.08545	3.3
143.10684	0.9
145.06485	6.3
145.10117	4.9
147.04337	2.0
147.08067	4.7
147.11703	6.2
149.06009	1.6
149.09644	7.7
149.13158	1.0
153.09088	3.9
155.08533	1.7
157.06464	1.1
157.10115	7.1
159.08072	10.3
159.11708	2.0
161.06007	2.3
161.09595	2.6
163.11194	4.0
165.09102	1.3
165.12834	1.8
167.08566	1.5
169.10129	1.0
171.08011	2.9
171.10210	1.4
171.11649	1.7
173.09616	1.4
173.13266	3.1
175.07486	2.2
175.11183	6.5
176.44751	0.8
177.09088	2.0
177.12808	1.1
181.10196	1.3
183.11620	1.0
185.09612	1.6
185.13217	1.1
187.07530	8.6
187.11191	1.2
189.09706	1.0
189.11212	6.8
189.12721	1.8
191.08604	1.0
191.10739	1.0
191.14333	3.1
193.12251	15.6
195.08060	0.8
195.11615	1.1
197.09634	1.1
197.13213	1.3
199.07442	1.6
199.11182	1.7
199.13271	1.0
201.12744	1.7
205.08626	2.6
205.12230	1.9
209.11678	1.4
211.13329	1.8
213.12787	1.3
215.14299	2.2
217.12325	0.9
219.07971	1.0
219.13814	11.7
223.13318	1.7
225.12717	1.1
227.12654	1.9
229.14160	1.1
231.13797	1.5
233.15352	2.6
235.13181	1.3
237.12726	1.7
237.14838	1.3
241.14459	1.1
249.14903	1.7
251.10658	2.7
255.13750	2.0
259.13174	1.3
259.15479	7.6
267.15933	36.0
273.14804	5.9
279.10059	1.4
283.15363	1.6
293.17569	6.0
293.82330	1.0
301.16791	0.9
311.12695	6.7
323.12860	1.6
331.11728	1.9
339.23203	3.4
349.21594	5.0
357.24167	1.9
367.22757	12.9
385.23758	19.2
403.24844	7.5
407.62448	1.0
433.26511	1.1
441.26419	8.4
451.26828	4.7
459.27444	100.0
460.27618	1.8
477.28525	96.8
478.28741	2.0
491.30249	8.9
495.29715	8.2
501.28278	2.7
509.30737	2.4
567.29797	1.8
603.30902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01881	2.3
55.05521	13.1
57.03447	11.6
57.07063	3.0
65.03931	2.4
67.05510	41.6
69.03435	2.4
69.07076	13.4
71.04977	2.7
79.05500	36.5
81.06588	2.5
81.07066	47.1
83.04961	2.0
83.08627	11.2
85.06532	1.5
91.05492	16.2
93.06492	2.6
93.07056	52.6
95.04963	5.4
95.08617	54.4
97.02892	3.7
97.06522	5.7
97.10142	1.9
99.04482	5.0
104.51248	1.8
105.07069	10.4
105.07656	2.5
107.04955	6.3
107.08601	38.7
109.06532	2.9
109.10156	11.8
111.08029	1.8
117.07032	11.0
119.08582	15.0
121.06493	5.1
121.10155	20.2
123.11686	2.6
125.05939	2.0
131.08549	4.9
133.10159	6.9
135.08116	2.5
135.11702	47.9
145.10132	27.0
147.11707	3.5
149.13274	4.6
153.12753	1.6
159.11707	2.4
163.11203	56.9
173.13330	2.5
181.12270	11.3
184.07372	2.6
209.11838	2.2
227.12798	71.8
228.13129	1.8
248.71011	1.5
261.22141	8.5
283.15421	100.0
291.16577	1.7
306.27917	7.7
317.24734	2.9
335.25827	93.5
336.26169	2.7
337.27234	2.2
365.77734	1.9
366.86771	1.7
543.36871	90.1
544.37238	3.0
599.50507	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	740.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01877	2.0
55.05515	12.6
55.05767	0.5
57.03445	7.8
57.07077	2.2
59.04996	0.4
59.71875	0.3
61.02884	1.2
61.13007	0.3
65.03907	1.6
67.05510	38.0
69.03397	1.3
69.07076	12.0
71.05005	1.9
73.02896	1.2
77.03917	0.5
79.05500	32.6
80.05779	0.3
81.03429	1.9
81.07065	39.1
82.89239	0.4
83.05000	3.1
83.08624	8.5
85.02863	1.1
85.03823	0.4
85.06509	1.3
91.03901	0.5
91.05489	14.4
93.07051	45.2
95.04985	4.9
95.08613	45.9
97.02912	3.1
97.06538	3.8
97.10149	1.9
99.04470	3.2
99.07386	0.4
99.08047	0.6
102.85671	0.4
103.05405	0.9
105.04491	1.1
105.07040	10.7
107.04959	5.7
107.08603	29.6
109.06499	1.7
109.10164	11.5
111.04456	0.9
111.08056	1.5
112.03907	0.4
113.05946	0.5
115.05410	0.4
117.07030	7.6
118.91575	0.4
119.08589	11.6
121.06543	3.8
121.10152	16.9
123.08042	0.7
123.11720	2.2
125.06018	2.5
127.03889	0.5
129.07001	0.6
130.07745	1.2
131.08591	4.7
133.10141	4.8
135.08029	1.6
135.11703	40.5
137.05940	1.1
137.09637	0.5
137.13240	0.9
139.07515	1.7
143.08565	0.7
145.10136	23.2
146.41679	0.4
147.11674	2.8
149.13306	2.5
153.12701	0.9
159.11687	1.8
161.13225	1.7
163.11192	44.4
163.14798	1.4
164.11447	0.4
173.13205	1.6
181.12245	6.1
184.07368	1.3
187.14803	0.9
201.16370	0.4
209.11745	1.0
227.12801	49.5
228.13164	0.6
233.22630	0.6
243.21063	1.6
250.90727	0.4
261.22131	7.5
283.15417	54.0
284.15863	0.6
306.28009	0.6
317.24857	2.4
335.25818	100.0
336.26102	2.1
419.63071	0.4
543.36859	84.4
544.37024	3.0
560.13464	0.4
561.37878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28186	0.7
55.01870	3.3
57.34732	0.8
61.02917	0.9
65.03944	2.7
68.05034	0.8
68.99798	10.5
69.03439	3.4
70.06609	6.6
71.52251	1.3
73.02916	1.5
81.03402	1.9
82.06589	2.9
83.01318	0.8
83.05000	1.0
84.08147	3.4
85.02914	10.3
88.03997	1.9
91.05505	1.3
93.03413	3.2
95.04984	1.6
97.02908	6.4
107.04970	4.5
109.02900	2.3
111.04450	2.4
116.07119	5.3
117.06948	0.9
119.04981	1.5
121.02880	100.0
121.06506	1.6
123.04427	3.3
124.07615	1.1
127.03907	2.0
128.07088	24.5
131.04916	1.3
135.04416	7.7
137.02370	1.2
137.05980	5.1
139.03906	20.1
139.04918	1.6
147.04492	2.0
149.06001	3.7
151.03922	19.0
153.01915	0.9
159.04448	2.7
161.06030	2.3
163.03917	34.5
163.05255	1.9
163.07678	0.9
165.01901	3.3
165.05495	1.1
171.80107	0.9
173.06036	2.9
175.03926	3.8
175.07524	1.4
177.01880	3.0
177.05482	12.5
179.03409	1.4
181.04971	22.0
181.06537	1.8
183.02962	1.1
183.08089	1.2
185.05977	0.9
187.03864	2.1
189.01826	2.0
189.05460	2.5
191.03462	1.4
191.07045	1.9
193.05002	1.7
195.02908	3.8
201.05457	6.5
203.03410	3.7
205.04991	32.3
207.02873	7.0
215.03511	2.0
217.04974	5.8
219.02956	7.3
219.06532	2.5
221.04471	1.8
223.05954	1.0
225.04001	2.2
227.03432	1.3
229.05002	5.7
231.02859	6.8
232.09740	1.5
233.04488	1.2
235.06053	8.8
242.08052	1.0
243.02980	2.3
245.04468	2.9
246.07664	1.7
247.03473	1.3
247.06053	22.4
249.03885	2.6
255.02878	1.5
258.07791	1.0
259.06030	1.7
261.04025	3.5
265.07043	8.0
271.06238	1.7
273.03967	8.7
276.08728	6.0
278.10236	2.9
280.08224	1.1
283.08203	2.3
289.04025	1.0
289.07129	3.4
291.05011	4.1
292.08066	1.7
293.08398	1.0
295.06042	15.0
296.06329	1.3
296.11340	4.3
300.08859	1.0
301.07050	3.2
304.08008	1.8
309.05914	1.3
313.07162	9.8
315.05032	1.3
320.11298	1.7
322.09241	14.9
325.07065	3.6
335.09180	1.6
342.09894	1.3
343.08191	9.1
346.09219	3.7
347.09647	1.1
358.09137	1.5
360.10690	1.2
367.08139	13.1
370.62283	0.9
378.12143	1.1
379.08130	3.8
391.08279	2.1
397.09100	7.7
398.14630	1.3
406.11325	3.7
409.09259	8.4
416.13699	1.7
424.12427	3.0
427.10297	7.6
440.13483	4.1
445.11331	47.7
446.11624	1.6
458.14438	13.0
463.12396	94.0
464.12790	3.6
482.14709	1.8
542.16730	4.1
560.17737	24.1
578.18823	7.7
608.19586	1.0
620.19727	4.7
722.23047	1.8
740.23840	14.6
741.23566	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99481	0.8
53.75550	0.8
55.01867	3.5
57.03430	2.2
58.06610	1.1
59.57490	0.9
61.02919	2.8
62.86153	0.7
65.03941	3.0
68.05027	2.8
68.99790	4.7
69.03433	9.7
70.06596	3.7
70.82358	1.9
70.82741	2.0
72.08160	1.1
73.02913	2.2
79.05500	1.4
81.03436	3.3
82.06589	12.7
83.04990	0.9
83.07358	3.3
84.08164	10.6
85.02917	14.9
86.09718	1.5
87.04478	1.2
87.82421	1.0
88.03992	5.8
89.39838	0.8
91.05493	1.2
91.96336	0.9
93.03402	6.1
95.04980	2.0
97.02908	6.6
99.04453	1.6
100.07635	3.1
105.07057	1.2
107.04957	1.1
109.02901	2.5
111.00838	1.3
111.04466	2.1
117.07025	1.0
119.04992	1.3
121.02877	58.0
123.04478	1.6
124.07620	2.5
127.03936	2.3
128.07088	77.8
131.04814	1.1
135.04460	1.6
137.06003	2.7
139.03923	1.6
145.06496	2.2
147.04405	2.9
151.03917	2.2
153.01753	1.3
157.06541	1.3
159.04442	2.0
161.02269	1.1
161.06004	1.8
163.03929	17.0
164.04218	1.0
164.07210	1.2
173.05989	4.8
175.03986	3.3
175.07587	3.2
177.01907	1.6
177.05519	6.8
178.99832	2.2
179.03421	2.2
181.05008	1.0
183.29703	0.9
185.06017	3.6
187.03909	5.1
187.07556	2.2
189.01849	1.7
189.05457	2.5
189.09259	1.1
191.03412	1.3
191.07063	1.8
192.06549	1.7
195.02921	1.6
196.58778	1.0
197.00871	2.7
199.03976	2.1
201.05505	7.4
203.03458	2.6
203.07065	2.9
205.05048	3.5
207.02965	2.9
211.04039	1.2
212.07056	1.1
213.05521	1.6
214.08675	1.6
215.03453	2.3
215.07092	2.1
216.10168	1.4
217.05061	5.4
219.02898	10.4
219.06586	2.6
221.04434	1.6
221.08275	1.4
227.03410	1.8
227.07143	1.4
228.06516	1.1
229.04993	8.0
230.08163	2.3
231.03102	1.2
231.06598	1.6
232.09758	6.9
233.04478	1.1
234.07715	2.2
235.06000	1.7
241.05145	1.5
242.08098	5.2
243.02962	2.0
243.06636	2.6
244.06065	1.5
245.04568	4.2
245.08206	1.6
246.07591	6.2
247.06012	6.2
250.10844	3.4
253.04968	1.3
255.06564	1.7
256.09796	1.7
257.04456	1.3
258.07697	5.3
258.11118	1.4
259.06149	1.5
260.09393	1.4
263.05630	1.8
265.07159	1.5
266.10272	2.5
267.06378	1.1
271.05972	2.3
272.09198	1.6
273.04065	1.6
274.10858	2.1
276.08694	22.3
276.11798	1.5
278.10275	10.3
280.08191	2.8
283.06094	1.8
284.09351	1.2
285.07486	1.1
286.10965	1.0
287.05658	1.4
291.05002	1.7
292.08240	7.7
293.08395	1.1
295.06061	2.7
296.11322	19.1
300.08701	6.6
304.08243	7.0
307.06137	1.4
312.08795	2.7
315.04993	1.2
316.12115	1.2
320.11371	6.0
321.07666	2.4
322.09235	46.1
323.09369	1.3
325.07178	1.3
329.06638	1.1
331.07959	1.0
334.12991	1.2
335.09332	1.8
338.12244	1.8
339.08920	1.1
342.09866	3.8
346.09274	14.8
347.09229	4.1
348.12518	2.0
353.10110	1.2
358.09344	5.4
360.10944	4.1
362.12491	1.6
367.08191	1.1
376.10593	1.8
378.12320	3.4
380.13589	4.1
388.10400	4.6
391.08157	1.5
394.12955	2.0
398.14316	3.6
406.11365	12.7
409.09308	2.5
410.12604	2.3
416.13379	6.5
424.12393	15.5
425.13071	1.1
440.13452	16.5
442.13281	1.7
445.11185	1.7
458.14499	48.6
459.14944	2.1
463.12415	4.5
464.13629	3.8
482.14484	8.1
494.14597	2.3
506.14539	1.5
512.15845	1.2
524.15594	4.4
542.16620	14.3
560.17688	100.0
561.18036	4.3
563.61182	1.3
578.18732	29.0
602.18805	2.1
604.19061	3.0
620.19781	18.5
686.88239	1.1
722.22626	9.4
740.23944	50.9
741.23816	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52779	1.3
53.03939	4.9
53.08068	1.3
55.05516	13.9
57.03435	7.3
57.07065	1.7
65.03935	2.8
67.05511	36.4
69.07079	8.8
70.19420	6.2
79.05502	35.7
79.35399	1.4
81.03413	2.9
81.07070	31.2
83.04991	6.3
83.08619	5.1
85.34324	1.3
91.04978	2.2
91.05494	29.5
93.06481	2.7
93.07055	46.7
95.05002	9.5
95.08063	2.1
95.08621	24.4
95.15635	1.6
97.06533	2.3
97.10200	1.5
105.04530	2.4
105.07044	21.2
107.04974	4.1
107.08607	15.6
108.14796	1.3
109.06555	2.2
109.10155	6.8
112.94183	1.7
117.07018	5.2
119.08590	14.0
121.10174	9.6
123.08106	2.9
123.11710	2.3
129.07025	6.0
131.08560	5.9
133.10149	7.7
135.11700	6.9
143.08554	4.8
145.10147	7.2
147.11714	16.8
149.13242	3.5
161.13286	5.8
163.14751	1.5
171.11739	11.9
177.12375	1.5
189.12769	3.5
207.13844	12.6
261.22202	4.2
281.17529	39.0
335.25830	42.8
373.63901	1.5
396.64850	1.4
461.60846	1.5
485.36160	1.7
541.38989	100.0
542.39404	3.9
650.31305	1.5
738.35059	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	738.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57407	0.2
55.05497	0.7
56.05024	0.9
57.03425	0.8
57.07085	2.2
60.07890	0.4
60.08171	6.0
62.57275	0.2
67.05499	0.8
69.07059	0.7
70.06584	1.0
71.07383	3.3
71.08642	1.3
79.05494	0.4
81.03432	3.7
81.07054	1.8
83.04987	0.4
83.08615	1.1
85.10188	0.7
86.09714	28.9
91.05485	0.7
93.07040	0.4
95.04958	1.2
95.08603	1.1
97.02879	0.3
97.10155	0.3
98.98462	2.8
104.10760	2.1
105.07030	0.7
107.04987	0.5
107.08585	0.4
109.10185	0.5
111.08109	0.3
119.08582	0.6
121.10174	0.3
125.00018	18.5
129.06999	0.4
131.08562	0.3
133.10132	0.6
147.11638	0.3
149.09543	0.3
165.05095	0.3
175.11192	0.6
184.07359	100.0
185.07684	0.6
193.12209	1.2
237.22563	0.3
239.10017	0.2
267.15930	6.2
303.56061	0.2
313.27411	5.3
505.38904	4.1
547.39600	0.4
585.20715	0.3
688.45508	12.2
689.45471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.9
55.05511	1.5
58.79498	1.2
65.03936	2.3
67.05503	3.2
69.03436	1.4
70.06582	1.2
70.30830	4.3
71.26615	1.0
71.65637	1.1
79.05497	1.8
81.03419	4.5
81.07043	2.3
85.02898	1.4
91.05489	3.7
93.03429	1.7
95.04948	2.7
97.02915	2.3
103.05497	2.5
105.03409	1.7
105.07046	1.8
107.04957	2.6
109.02908	3.2
111.04478	2.0
115.05438	6.9
116.06265	1.4
117.07007	4.6
119.04929	1.8
119.08620	1.5
121.02892	1.2
121.06498	2.4
122.20009	1.1
123.04440	63.7
128.06230	5.3
129.07042	8.2
131.04959	7.7
131.08521	1.8
133.02846	1.6
133.06523	2.5
135.04433	5.4
136.05171	1.4
137.02399	6.8
137.05980	2.5
139.03938	2.8
141.07011	1.5
143.03923	1.3
143.04922	5.3
143.08684	1.9
145.06503	23.1
146.07309	4.3
147.04454	2.0
149.06009	5.5
151.03940	2.6
151.07552	16.5
153.01822	1.3
155.04915	1.8
155.06026	1.6
157.06503	12.7
158.07285	6.8
159.04434	3.1
159.08070	5.4
160.05226	2.9
161.05991	18.9
162.06802	4.8
163.03917	3.8
163.07503	2.3
165.01756	1.3
165.05507	2.4
165.07045	1.3
167.03604	1.4
171.08076	2.8
172.08841	13.2
173.05997	20.8
173.09599	1.8
174.06784	7.9
175.07570	15.1
176.08348	6.6
177.05521	1.3
177.09140	13.5
179.07042	3.4
179.08511	1.8
181.06392	2.4
182.07370	2.8
185.06030	3.8
186.06772	2.3
187.07545	3.8
188.08374	14.9
189.09120	100.0
190.09447	1.8
191.07071	5.0
191.08650	2.0
191.10588	2.7
193.05026	2.1
195.08112	3.2
196.08893	4.0
197.06020	3.3
199.07547	1.8
200.08342	2.4
201.05592	2.8
201.09123	35.3
202.09848	7.3
203.07025	3.8
203.10680	38.5
204.11018	1.4
205.06552	1.7
207.08070	2.8
208.08905	1.4
209.06065	1.7
211.07660	2.4
212.08345	2.2
213.05540	3.8
213.09106	11.1
215.07028	1.6
215.10680	7.6
215.31691	1.3
216.07901	1.5
217.06662	1.5
217.08702	3.3
219.08121	5.0
219.10234	5.2
221.06116	1.6
221.09772	1.6
221.11749	1.3
222.10426	1.8
223.07489	2.9
224.08389	2.8
225.05450	1.7
225.09158	4.4
226.06339	1.8
226.09798	1.4
227.07147	1.5
227.10695	2.7
229.05083	2.7
229.08589	2.3
231.08087	2.5
231.10155	28.0
235.07553	4.6
237.09244	1.6
238.09970	2.1
239.07086	2.3
239.10634	4.1
240.07666	1.6
241.04938	3.8
241.08583	16.5
243.10129	1.5
247.07570	4.4
248.08411	3.3
249.09033	4.1
249.11279	19.5
251.07005	1.8
251.10709	4.0
253.08624	3.1
253.12413	1.7
255.06621	1.5
255.10095	5.8
257.11707	2.7
261.09229	1.6
262.09692	2.0
263.07178	3.2
263.10638	6.0
264.07776	1.9
265.08603	3.3
265.12451	1.5
267.06509	1.7
267.10141	4.5
269.08148	4.5
271.09711	2.0
275.07281	2.0
275.10574	1.4
276.07895	2.0
277.08456	5.7
278.09451	3.0
279.06555	2.6
279.10184	4.7
280.10995	1.7
281.08112	4.2
281.11612	2.9
283.09631	4.3
283.12784	1.2
289.08636	2.6
291.10114	9.4
292.11075	2.6
293.08127	5.0
293.11795	3.4
295.09634	4.4
303.10153	2.3
305.07983	1.4
307.09674	4.4
308.10471	3.2
309.07773	1.4
309.11188	5.1
313.10721	3.7
319.09680	3.0
320.10480	4.9
321.11206	8.9
323.08917	1.7
329.10217	2.1
333.11417	2.8
335.09256	1.5
337.10779	4.3
338.11401	3.5
339.12314	4.7
341.10260	3.4
355.11960	3.9
367.11716	3.9
369.13724	1.5
443.11179	1.6
459.14435	1.4
473.12256	1.2
479.15176	1.3
491.13718	3.4
497.15625	2.0
521.15546	1.3
571.16925	1.5
591.20483	1.5
601.18787	2.2
603.19788	1.6
619.19891	7.0
621.21173	3.1
631.19073	2.9
637.20605	4.8
649.20660	6.5
667.21606	7.4
679.21307	4.6
685.22656	1.9
697.22968	10.5
715.23944	5.8
741.68890	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36000	1.1
53.03948	1.4
55.01867	4.3
55.05503	2.0
56.34267	1.0
65.03941	1.8
67.05508	2.0
70.06593	1.1
71.52291	1.5
79.05485	1.5
81.03410	3.5
81.07047	2.0
82.54176	1.0
83.04979	1.4
83.18997	1.1
84.44444	1.0
85.02899	1.2
91.05480	5.0
93.03389	1.1
93.07045	1.3
95.04971	2.3
97.02924	1.4
97.06522	1.1
103.05467	2.5
105.03393	2.2
107.04953	2.2
107.08559	1.4
109.02875	2.2
111.04446	2.2
113.28606	1.1
113.29420	1.1
115.05457	6.4
116.06203	1.4
117.07034	3.2
119.08579	1.6
121.02876	2.0
121.06503	2.1
123.04438	63.8
128.06215	3.8
129.07008	9.0
131.04948	4.7
133.06516	1.4
135.04425	3.3
137.02341	6.2
137.05981	2.9
139.03923	2.0
141.06982	2.2
143.04922	4.4
143.08600	1.8
145.06487	19.3
146.07277	4.2
147.04449	3.7
147.08063	2.4
149.02350	1.9
149.05994	3.6
151.03903	3.4
151.07564	13.6
155.06038	1.7
157.06496	11.1
158.07262	5.6
159.04462	2.2
159.08046	3.9
160.05164	2.8
160.08824	2.8
161.05992	14.1
162.06731	4.0
163.03922	3.7
163.07547	1.7
165.01746	1.5
165.05479	2.1
169.06494	1.9
171.08069	2.6
172.08878	9.8
173.05997	14.6
173.09485	1.3
174.06767	5.9
175.07581	14.7
176.08321	4.7
177.09157	10.0
179.07007	2.9
179.08501	1.3
181.06444	3.2
182.07269	1.9
185.05978	3.1
186.06691	1.4
187.07558	4.6
188.08331	14.8
189.09129	100.0
190.09506	1.5
191.03442	1.5
191.07042	5.6
191.10634	3.1
193.04973	2.7
195.08057	2.6
196.08844	2.6
197.05977	3.2
199.07550	1.5
200.08420	2.0
201.05518	2.3
201.09108	33.0
202.09863	4.3
203.07056	3.3
203.08891	1.0
203.10667	30.9
205.06534	1.1
207.08070	2.8
208.08820	2.4
209.06108	1.7
209.09441	1.0
211.07559	1.8
213.05551	2.3
213.09105	9.1
214.09723	1.4
215.07031	1.8
215.10583	5.2
217.08583	2.7
219.08061	3.4
219.10196	4.0
220.08846	2.2
221.09717	1.5
221.11740	2.3
223.07610	1.7
224.08388	2.9
225.05562	1.8
225.09119	3.8
226.09842	2.3
227.07095	1.8
227.10635	4.4
229.04926	2.2
229.08574	2.4
231.08130	1.4
231.10184	26.8
232.08733	1.7
235.07553	4.4
237.09113	2.7
238.09785	1.6
239.07095	2.0
239.10719	5.9
240.07756	1.2
241.04970	2.3
241.08620	14.3
243.10320	2.4
247.07565	3.5
248.08400	1.8
249.09138	2.5
249.11293	17.7
250.10016	1.7
251.07065	1.7
251.10626	2.6
252.07788	1.3
253.08659	3.0
253.12265	2.5
254.09373	1.9
255.06659	1.5
255.10170	5.0
256.10178	1.1
261.09085	1.7
262.09845	1.8
263.06967	3.9
263.10620	3.9
264.07791	1.3
265.08652	4.2
267.06647	1.1
267.10114	4.4
269.08115	3.0
271.06116	1.4
275.07077	1.7
276.07822	1.6
277.08725	5.1
279.06601	1.6
279.10052	2.3
280.10901	1.6
281.08060	4.4
281.11328	2.6
283.06216	1.3
283.09644	3.2
289.08551	2.3
290.09442	1.5
291.10181	6.6
292.10861	2.1
293.08118	5.2
293.11539	2.6
295.09680	3.5
297.11234	1.4
303.06918	1.1
307.09601	5.7
308.10388	1.4
309.07819	1.3
309.11157	4.6
311.09134	1.6
313.10641	1.3
319.09717	3.8
320.10428	3.8
321.07864	1.9
321.11237	4.9
325.10651	1.7
327.06662	1.3
333.11581	1.8
337.10928	5.4
338.11356	2.7
339.12302	4.1
341.10126	2.3
349.10510	1.7
350.11496	2.1
351.12323	3.1
355.11737	4.9
357.13364	1.2
367.11798	3.0
368.12421	1.6
369.13297	3.1
473.12000	2.0
491.13232	3.9
589.18115	1.7
591.20184	1.3
601.18494	1.5
607.19073	1.5
619.19568	7.1
621.21136	2.7
631.19403	2.2
637.20361	4.3
649.20728	5.5
667.21765	5.5
679.22339	1.6
691.77283	1.2
693.90552	1.3
697.22711	8.4
715.23676	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	731.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.7
65.03932	2.4
69.17542	2.9
69.17950	12.5
79.05480	2.5
81.03405	4.8
81.07047	2.0
86.09704	2.1
91.05470	4.8
93.03387	1.5
94.04196	2.7
97.02926	1.5
103.05483	4.2
105.04524	1.6
107.05034	1.4
109.02880	1.8
111.04466	2.9
115.05454	16.7
117.07033	6.8
122.03623	3.9
123.04442	2.9
125.00085	1.9
128.06236	6.2
129.07018	20.8
131.04947	6.2
135.04424	13.9
137.02373	3.0
137.05986	61.4
139.05470	1.9
141.07016	2.1
143.04941	5.8
145.06494	7.1
147.04475	2.5
149.02303	4.3
149.06007	1.9
151.03905	5.1
153.05533	1.6
153.07025	2.2
157.06490	20.2
159.04465	6.1
160.05206	5.4
161.05997	9.6
163.03915	3.4
165.07010	2.7
167.04990	1.6
167.08615	1.7
172.05168	3.0
173.05992	100.0
174.06783	2.1
175.03914	2.0
175.07587	18.3
179.08652	1.6
181.06485	4.5
184.07300	7.0
185.05977	24.3
186.06763	4.2
187.07562	24.6
189.05458	2.1
189.07085	3.0
189.09099	5.3
191.08560	2.1
193.04889	2.2
193.06496	1.9
195.08119	2.0
197.06021	7.9
199.07597	7.4
201.05470	5.2
203.06963	3.0
205.08598	3.7
207.08034	2.9
209.06017	2.1
211.07568	6.3
213.05460	2.3
213.09033	1.7
215.07024	23.8
217.08449	2.4
218.07295	1.9
219.08070	5.6
222.06812	2.4
223.07553	6.9
225.05492	8.8
227.07042	5.3
229.05000	2.0
233.06041	2.1
233.07994	7.3
235.07571	6.3
235.09705	2.2
236.08253	2.0
237.05513	2.2
237.09186	3.1
238.06337	2.5
239.07019	6.5
245.06114	1.8
247.07587	9.0
249.05600	2.7
249.09164	3.2
251.07106	3.6
253.04964	2.0
253.08618	2.0
255.06575	3.6
259.07813	1.9
263.07083	7.4
264.07938	2.6
265.08585	3.6
267.06433	2.3
269.08124	1.9
275.07077	7.2
276.07803	2.6
277.08609	4.8
279.06708	2.1
279.10257	4.1
281.08041	2.8
291.06555	2.7
292.07205	2.1
293.08060	6.2
294.08902	2.2
295.09860	1.8
297.07739	2.4
304.07263	3.2
305.08081	5.0
307.09653	2.8
309.11362	1.9
321.07605	3.9
322.08395	2.9
323.09109	4.3
339.08698	2.1
344.12305	1.5
353.10342	1.7
371.95285	1.5
487.13751	1.7
505.14838	2.6
511.13678	2.3
541.14740	1.9
589.18750	2.3
605.18439	1.6
617.17993	4.9
619.20093	2.1
629.18140	1.7
635.18530	2.8
647.18903	6.4
665.20154	5.3
677.20270	1.8
695.20801	6.4
713.22107	3.6
731.23297	2.4
758.51788	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.5
65.03951	1.0
66.96801	0.7
67.05502	1.1
70.96580	0.9
75.26572	0.8
79.05497	1.8
81.03419	2.4
81.07058	1.4
83.04970	0.8
86.09727	0.7
91.05473	3.1
93.03344	0.7
93.07047	1.1
94.04172	2.4
95.04954	1.1
97.02895	0.9
98.21146	1.1
103.05466	4.6
105.07050	0.8
107.04954	1.0
109.02859	1.7
109.06517	0.7
111.04459	1.7
115.05471	16.0
117.07023	6.1
121.02857	0.9
122.03682	4.4
123.04431	2.5
125.02344	1.4
125.06011	1.2
127.43388	0.7
128.06235	6.1
129.07021	18.9
131.04935	6.6
133.02863	1.3
135.04414	12.9
137.02354	3.2
137.05991	55.4
139.05437	2.0
141.07004	1.7
143.04962	4.4
144.05705	1.4
145.06487	5.6
147.04431	1.5
149.02287	4.1
149.06020	1.4
151.03908	4.0
153.01755	0.8
153.05455	0.7
153.06999	2.4
154.67044	0.7
155.06041	1.3
156.05739	1.3
157.06506	19.7
159.04387	5.0
160.05212	4.9
161.06017	8.8
163.03937	4.2
163.07590	1.1
165.07025	2.7
167.04976	1.6
167.08548	1.2
168.78679	0.7
169.06531	2.2
171.04440	1.9
172.05232	1.6
173.05998	100.0
174.06621	2.2
175.03938	1.9
175.07553	16.5
179.08595	2.3
181.06474	5.0
182.62132	0.7
184.07538	1.3
185.06004	25.2
186.06813	3.9
186.08165	0.8
187.03827	1.4
187.07561	21.9
189.05461	1.7
189.07114	1.6
189.09117	6.0
191.03404	1.4
191.08649	1.2
193.04985	1.6
193.06569	1.3
195.08130	1.0
197.06021	8.6
198.06830	0.8
199.03888	1.1
199.07544	5.3
201.05507	3.2
201.09264	1.1
203.07024	3.6
205.06461	2.5
205.08615	3.1
207.08080	2.1
209.04338	0.9
209.06052	3.1
210.06827	0.9
211.07570	4.9
212.04646	0.8
213.05412	1.2
215.07047	22.6
217.06627	1.4
217.08607	2.0
218.07184	1.2
219.08115	3.6
221.05956	1.0
222.06763	1.4
223.07521	5.5
224.08296	1.2
225.05475	7.5
225.08994	0.8
226.06322	0.9
227.07004	4.0
229.04852	1.7
231.06387	1.4
231.08403	1.1
233.06055	1.5
233.08064	7.5
234.06729	1.6
235.07555	6.0
235.09610	1.2
236.08403	0.8
237.05324	1.1
237.09132	2.0
238.06248	1.1
239.07048	6.8
241.08601	1.8
247.07558	8.3
248.08429	1.9
249.05498	1.3
249.09073	2.3
251.07088	4.3
253.05013	1.8
253.08456	0.9
255.06412	4.0
257.08301	0.9
258.36652	0.8
259.07635	2.1
260.08505	0.9
262.06354	1.3
263.07034	6.4
264.07874	2.3
265.08636	2.6
267.06537	3.0
269.08258	2.0
273.05566	1.0
275.07071	8.1
276.07800	1.8
277.08572	4.6
279.06619	2.3
279.10074	1.8
281.08084	2.2
283.09558	0.9
283.99301	0.7
287.06882	1.9
291.06485	3.8
291.09741	1.3
292.07291	1.2
293.08093	4.6
295.09671	2.7
297.07590	2.0
297.11032	1.2
303.06625	1.7
304.07388	3.8
305.08142	5.1
307.09680	3.3
309.07779	1.5
309.11182	2.1
311.09262	1.4
317.08051	1.9
321.07526	5.0
322.08344	1.9
323.09134	2.9
325.10727	1.6
333.07266	0.9
334.08276	1.0
335.09097	2.0
338.76053	0.8
339.08670	1.5
351.08798	1.3
352.09512	1.5
353.10217	2.3
355.11679	1.6
367.09732	0.8
369.09802	1.6
397.11057	0.7
401.10275	0.8
433.12689	1.0
435.12625	0.9
443.11349	0.9
451.11728	1.3
461.12070	1.9
463.12985	0.9
469.12750	1.4
481.12827	1.8
491.13309	1.6
493.12820	1.2
505.15057	1.8
511.13852	2.1
535.15942	1.0
541.14691	2.3
559.16052	1.5
571.16754	1.0
589.18195	2.1
599.16681	1.7
601.18774	1.2
617.18060	4.4
619.19147	2.1
629.17883	2.3
635.18750	2.0
647.18561	4.6
653.19885	0.7
665.20221	3.2
677.20416	1.7
683.21594	2.0
695.21057	6.0
713.21906	2.8
731.22784	1.2
743.19562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05018	4.5
51.54880	4.4
55.01857	7.5
57.03457	6.6
67.01847	6.7
70.43319	14.8
72.85495	5.1
81.03426	11.0
85.02908	31.2
97.02928	6.2
103.03970	4.8
105.03392	10.0
109.02890	11.8
109.33241	5.3
119.04957	6.8
121.02898	24.9
123.04436	14.9
131.04961	9.4
135.04462	7.9
139.03888	4.8
145.02902	6.0
145.06473	5.6
147.04436	16.1
151.03938	11.9
159.04440	8.0
161.05994	10.9
163.03902	24.1
169.04999	5.6
171.04419	20.7
173.02443	11.4
175.03902	33.3
177.05519	11.9
179.03442	6.3
181.04956	16.5
181.06416	4.9
183.02910	5.9
185.06026	12.1
187.03894	29.4
189.01868	12.5
189.04027	7.2
189.05453	34.1
191.03415	18.8
193.04987	36.6
199.03958	15.9
199.31544	4.4
201.05490	12.5
203.03366	30.4
203.07060	8.1
205.04977	54.4
207.06537	18.2
209.04408	32.8
211.03961	10.4
211.06078	7.3
213.05449	25.6
215.03392	26.9
217.04953	52.4
219.02934	12.4
221.04439	76.6
223.06061	17.0
225.05531	7.2
227.03481	23.6
227.07028	8.6
229.05009	18.5
231.02771	6.1
231.06476	27.8
233.04471	100.0
235.05960	77.3
237.05501	8.7
239.03320	7.5
241.04991	28.8
243.06615	15.4
245.04483	34.5
245.08083	6.3
247.06020	31.9
249.07635	10.9
251.03061	5.0
251.05510	78.2
253.04903	9.4
255.06558	11.4
257.04358	23.3
259.06055	63.4
261.03931	8.9
263.05463	30.8
265.04910	9.3
269.04544	20.9
271.05927	23.0
273.07596	5.7
275.05402	44.8
277.07166	32.2
279.06717	6.4
281.06668	62.4
283.06030	21.2
287.05441	54.6
289.07144	21.1
295.06137	13.7
297.07669	6.5
299.05511	44.7
301.07123	32.2
305.06607	89.5
307.06076	11.5
311.05481	19.7
313.09317	10.5
317.06659	51.7
319.05716	7.3
321.07617	5.1
323.05621	11.2
325.07047	8.2
329.06650	31.0
331.06158	6.8
333.07596	7.1
335.07953	31.4
337.07138	18.0
347.07593	19.4
349.07269	14.8
351.08707	6.9
353.09277	23.9
359.05664	5.8
361.07047	15.4
363.08578	11.2
365.09256	28.4
367.08179	20.3
371.09494	5.9
373.07013	15.9
379.07996	15.4
383.09851	93.7
389.06650	8.2
391.08136	15.6
395.07523	31.8
401.10995	48.0
403.08112	13.5
405.09668	7.7
407.07654	41.6
409.09146	12.2
413.09024	22.9
415.08170	8.7
419.07700	24.7
421.09216	23.5
425.08624	31.4
427.08264	5.3
429.09592	5.1
431.07532	15.4
433.09412	26.4
437.08963	31.1
443.09909	39.0
445.09225	14.8
447.10684	7.1
449.08810	48.3
451.10226	6.7
455.09415	20.0
457.09140	6.9
461.08652	58.8
463.10327	6.2
467.09772	25.9
473.08884	34.4
475.10327	13.1
479.09836	56.5
485.09354	12.8
487.10324	8.2
491.09656	39.4
497.10696	50.6
503.10013	38.6
509.10956	61.3
515.10522	22.5
521.10992	41.7
527.11700	52.3
533.11261	17.5
539.11810	47.5
545.12469	75.2
551.11591	12.6
557.12799	57.4
563.11981	33.5
569.12689	7.9
575.13110	24.9
581.12830	61.6
587.11957	11.2
593.12811	22.5
599.14142	31.5
605.12543	17.5
611.13708	43.0
623.14032	34.8
629.14722	10.9
641.15149	34.0
642.53821	6.3
647.15662	7.0
659.16150	42.6
677.17444	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	729.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
53.60116	0.5
55.01865	0.7
57.03447	0.6
61.02939	0.7
64.96738	0.5
65.03954	9.8
67.05491	1.7
69.03426	2.3
69.07089	0.6
70.06583	2.1
72.08163	0.6
74.00994	0.5
74.46368	0.4
78.04699	1.5
79.05515	3.3
81.03408	1.6
81.07059	0.9
82.04184	1.9
84.04491	0.6
84.08150	1.7
85.02921	4.3
91.05488	6.1
93.03419	6.5
95.01340	1.5
95.04958	2.0
97.02901	1.4
97.06547	1.3
103.05476	3.0
105.04471	0.6
105.07034	6.6
106.04160	0.9
107.04970	5.5
108.02082	1.2
109.02939	0.6
110.03675	10.1
111.04457	12.1
111.82535	0.5
113.73682	0.5
115.05488	3.4
116.06294	0.8
117.07020	1.3
118.04184	1.4
119.04980	6.0
119.08582	1.4
121.02879	0.7
121.06518	1.2
122.03658	1.3
123.04435	3.8
124.05208	1.0
125.06010	14.3
127.03967	0.9
128.06192	1.7
129.07027	4.7
129.10243	1.1
130.04144	0.7
130.31357	0.5
131.04927	4.6
131.08603	1.1
132.05760	1.4
133.02870	1.5
133.06502	5.1
135.04414	1.3
136.05164	0.6
137.02397	0.5
137.05991	9.4
138.03113	1.5
141.06995	0.7
143.04959	0.8
144.05701	1.1
145.06473	2.0
146.07283	0.6
147.04430	6.0
147.08047	1.9
149.02351	0.6
149.05978	1.3
151.03896	1.3
151.07576	1.9
152.04672	1.2
153.05486	67.9
155.04922	1.0
156.05721	0.9
157.06514	0.6
159.08072	5.8
160.05174	0.9
161.05981	6.6
161.09618	0.8
162.06752	1.0
163.03955	1.3
163.07556	1.9
164.04623	0.5
165.05630	0.7
165.07059	1.1
167.07063	39.3
168.07373	0.6
171.04424	1.5
172.05249	1.3
173.06021	1.2
175.07561	9.8
176.04683	0.8
177.05470	1.5
177.06866	0.6
178.07796	1.6
179.07047	4.5
179.08511	1.2
181.04950	1.7
181.06485	0.9
184.05156	0.9
185.05971	1.8
186.06807	3.0
187.07567	10.5
189.05481	5.0
189.07036	1.6
189.09064	1.1
190.07771	2.8
191.07050	5.0
191.08603	3.3
192.09315	0.7
194.07222	0.6
195.08093	1.1
198.06725	1.1
199.07542	4.8
201.05426	1.0
202.07787	3.3
203.08612	3.7
204.09367	0.8
205.06561	2.9
206.07339	2.1
207.06496	1.4
207.08119	2.0
208.08908	1.3
209.06161	0.6
209.08107	0.9
211.07439	0.6
214.06142	0.9
215.07039	1.8
216.07803	9.3
217.06538	1.6
218.07283	5.1
219.08080	9.5
220.08809	3.6
221.06050	2.3
221.09680	3.4
223.07520	1.6
229.06485	1.2
229.08615	9.0
231.08107	3.8
232.08801	1.6
233.05998	3.0
233.09604	3.0
234.06737	3.5
235.07555	6.8
235.11276	0.8
236.08344	5.4
237.09090	2.5
243.07970	0.8
245.06099	1.4
246.06900	2.8
247.07538	6.4
248.08345	5.1
249.05424	2.0
249.09192	6.2
250.06322	0.8
250.10002	1.0
251.06929	1.6
251.10728	11.1
253.08629	1.9
259.07568	2.8
260.08365	1.5
261.05481	1.4
261.09085	3.3
262.06335	0.9
262.09982	0.8
263.07040	4.9
263.10626	2.3
264.07822	11.2
265.08630	8.3
266.09280	1.1
267.10229	1.1
274.06406	0.9
275.07004	3.3
276.07806	6.3
277.05426	0.8
277.08624	5.6
278.09402	3.8
279.06851	1.1
279.10168	7.1
280.10901	1.0
281.08090	2.0
281.11731	4.2
283.10062	0.5
288.07767	1.6
289.08554	3.8
290.09314	1.4
291.06604	1.2
291.10196	3.6
292.07343	2.7
292.10803	1.3
293.08105	6.2
293.11658	2.3
294.08829	1.8
295.09708	0.9
295.13120	0.6
296.10440	0.9
304.07281	1.7
305.08176	2.8
306.08679	2.7
307.09683	36.7
308.10431	7.4
308.28546	0.6
309.07996	1.0
309.11212	5.2
310.11996	0.8
311.09433	0.6
311.12732	1.9
319.09692	8.1
320.10446	2.2
320.31354	0.6
321.07648	1.0
321.11212	5.9
322.12048	0.6
323.09210	0.9
323.12778	6.2
324.09991	1.2
324.13412	0.7
325.14572	0.8
326.11395	0.8
336.10138	1.1
337.10669	1.5
339.12305	100.0
340.12701	2.5
341.13910	12.6
351.12292	30.4
351.57684	0.6
352.12939	2.1
353.13809	4.5
369.13406	2.9
456.80399	0.6
499.17633	1.4
709.17059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.9
53.03944	1.6
55.01883	1.3
55.32877	0.8
57.03437	1.0
58.71405	0.8
61.02924	1.2
63.59906	0.8
65.03941	10.5
67.05494	1.5
69.03432	2.3
70.03721	3.8
70.06593	3.0
71.04999	0.9
72.08163	1.0
75.04471	0.8
76.03389	1.0
78.04681	1.2
79.05520	5.4
81.03398	1.7
81.07037	1.3
82.04194	1.9
84.08137	1.8
85.02935	5.9
85.03349	1.1
86.09710	2.1
91.05486	7.2
93.03416	7.4
93.07049	1.0
95.01357	2.0
95.04981	2.7
96.05859	1.0
97.02909	2.7
97.06542	1.8
103.05469	3.7
105.07055	6.1
106.04173	1.5
107.04964	7.7
109.02881	1.7
109.10049	1.1
110.03675	12.7
111.04443	11.8
115.05431	4.1
116.06185	0.8
117.07010	1.7
118.04166	1.8
119.04967	5.1
119.08569	1.6
121.06535	1.8
122.03658	2.0
123.04432	3.5
124.05238	2.0
125.06003	13.2
127.03931	1.2
128.06226	2.2
129.07025	5.2
131.04950	5.4
131.08627	1.3
131.57211	1.0
132.05693	2.2
133.02864	2.4
133.06528	4.6
137.05988	12.2
138.03143	1.2
143.04962	1.1
143.06042	0.9
144.05658	1.3
145.06482	1.2
147.04414	6.8
147.08041	1.8
148.05254	1.0
149.05978	1.8
151.03885	2.3
151.07553	2.1
152.04701	1.4
153.05481	78.2
155.04948	1.2
159.08083	6.4
160.05247	1.1
161.05940	6.7
163.04068	2.0
163.07559	2.3
165.06897	1.1
167.07057	51.7
169.06485	0.9
171.04358	1.1
172.05179	1.5
173.06047	1.0
175.03922	1.1
175.07567	11.7
176.04758	1.1
177.05478	3.5
179.07050	4.5
179.08389	0.8
181.05009	1.6
181.06400	1.2
184.05261	1.2
185.05981	2.5
186.06810	3.2
187.07555	13.9
189.05458	3.8
189.07050	2.3
189.09154	1.6
190.07751	2.8
191.07048	5.4
191.08609	3.7
193.06473	1.6
199.07555	6.1
201.05495	1.6
202.07809	2.4
203.06931	1.1
203.08582	3.3
205.06599	2.6
205.10216	1.2
206.07278	2.6
207.06454	1.9
207.08121	2.2
208.08783	1.2
209.08020	1.0
214.06425	1.2
215.07059	3.1
215.08783	1.3
216.07826	7.9
217.06569	2.1
217.08513	1.5
218.07321	5.6
219.08109	9.9
220.08856	4.1
221.06006	2.9
221.09653	4.1
229.08591	9.8
231.07974	5.3
232.08899	1.9
233.06003	2.6
233.09586	4.1
234.06728	3.2
235.07516	6.3
236.08292	5.9
237.09045	2.9
245.06084	1.6
246.06767	3.4
247.07562	8.1
248.08301	4.3
249.05466	2.2
249.09177	7.4
250.06300	1.6
250.09920	1.3
251.07011	2.2
251.10716	14.0
253.08618	1.8
259.07547	2.3
260.08374	2.7
261.05472	2.1
261.09097	4.2
262.06198	2.4
263.07010	3.1
263.10654	1.8
264.07837	10.6
265.08588	10.1
266.09280	1.2
272.04324	0.9
275.07086	3.2
276.07791	9.0
277.08630	5.7
278.09488	5.2
279.10184	9.3
280.10818	1.4
281.08310	1.7
281.11761	5.3
288.07974	1.6
289.08600	4.6
290.09314	2.2
291.06937	0.8
291.10074	4.3
292.07394	2.8
293.08087	5.4
293.11655	2.5
294.08899	2.0
295.09732	1.7
296.10333	1.2
304.07220	2.4
305.08057	3.4
306.08923	2.6
307.09674	41.7
308.10367	7.8
309.11200	7.1
311.12796	2.1
318.09079	1.0
319.09686	7.0
320.10242	1.5
321.11258	5.8
323.12756	6.3
324.09955	1.5
326.11588	1.3
336.09714	1.6
337.10687	3.4
339.12302	100.0
340.12613	2.0
341.13873	19.1
351.12292	30.0
352.12860	1.9
353.13931	5.8
369.13431	5.0
497.13403	1.3
499.17517	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	729.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75366	2.1
53.03959	2.6
55.01870	4.1
55.05522	2.7
65.03950	2.6
65.69556	2.1
65.84978	2.4
67.05501	3.3
68.07014	2.4
68.15283	2.3
71.52562	3.6
79.05515	3.6
80.57869	2.1
81.03413	4.6
81.07049	3.9
86.09697	3.7
88.08808	2.2
91.05482	7.0
93.07037	3.5
94.04198	5.5
95.08611	4.1
103.05452	6.7
105.07031	4.8
107.04939	4.8
109.06499	2.8
109.10165	2.7
115.05455	8.7
117.07021	7.5
119.04971	4.1
120.55135	2.1
121.06522	5.7
122.03653	7.2
123.04457	6.1
125.06040	2.5
128.06235	5.2
129.07022	17.8
131.04909	12.8
131.08612	2.9
133.02925	4.0
135.04454	6.8
137.02394	2.6
137.05988	100.0
141.07039	2.3
143.04903	4.6
144.05753	3.1
145.06502	18.5
146.07278	8.0
147.04405	4.6
149.05959	4.2
151.03920	14.8
151.07574	23.4
153.07098	2.6
157.06531	14.0
158.07292	6.2
159.04431	6.7
159.08057	6.8
160.05229	9.0
160.08861	27.6
161.05997	11.1
162.06702	3.9
163.03932	2.3
163.07559	4.7
165.01845	6.6
165.05534	6.1
171.08026	2.7
172.05223	2.6
172.08862	5.8
173.05997	10.4
174.06786	8.1
175.03952	11.0
175.07582	26.9
176.08299	12.9
177.05609	2.3
177.09122	18.9
179.07089	2.6
179.08522	3.0
181.06468	3.8
182.07343	6.2
184.07347	11.7
185.05885	2.3
187.07550	16.3
188.08281	12.0
189.09128	74.1
191.03474	3.7
191.06987	2.9
191.10695	31.7
195.08096	8.2
196.08853	6.9
197.09631	2.5
198.06755	2.3
201.09167	15.5
202.09888	5.3
203.06985	3.1
203.08904	3.6
203.10635	13.9
205.06712	2.8
205.08652	6.0
207.08015	11.3
208.08871	7.3
209.06053	3.1
211.07610	4.5
212.08369	3.2
213.09167	11.1
214.09848	4.8
217.08644	7.4
218.07254	3.7
219.08099	13.5
219.10201	67.8
220.08716	4.3
221.05974	2.9
221.09702	3.9
223.07379	3.5
224.08258	5.2
225.09113	4.0
227.07050	4.3
227.10634	6.3
231.10307	3.8
232.08913	3.6
233.06047	3.0
233.09691	3.0
234.06903	3.3
235.07565	9.1
236.08359	8.7
237.09151	7.3
239.10684	15.6
246.06693	3.8
247.07597	9.2
248.08318	11.9
249.09143	7.7
250.09688	2.5
251.06935	2.6
251.10713	16.4
253.08603	19.9
255.06590	4.6
255.10153	2.7
256.07150	3.1
261.09100	5.0
262.06232	3.5
263.07074	7.1
263.10712	12.1
264.07825	8.3
265.08609	13.6
266.09238	2.4
267.07315	3.7
267.10202	20.4
269.08142	2.5
275.07138	5.8
275.10559	2.7
276.07816	5.3
276.26895	6.7
277.04568	2.5
277.08679	11.3
278.09479	6.7
279.10165	55.0
280.10855	6.2
281.08057	3.2
281.11874	3.7
283.09561	4.2
285.11243	3.4
289.08771	3.4
290.09225	11.2
291.07257	2.6
291.10065	14.6
293.08145	10.2
293.11411	3.2
294.08786	3.0
295.09708	15.5
297.11084	4.3
305.08148	4.8
306.08914	6.0
307.09695	52.1
308.10342	12.0
309.08118	2.2
309.11145	14.5
319.09760	6.6
320.10397	3.5
321.11230	19.5
323.09100	4.5
323.12692	3.9
325.10800	4.6
327.12271	4.0
333.11270	2.9
335.09094	4.7
337.10635	20.5
338.11456	6.8
339.12292	7.4
349.10733	5.6
350.11557	4.7
351.12485	20.2
355.11737	2.8
367.11639	6.7
368.12665	6.5
411.12216	3.4
449.13882	5.4
455.14941	2.7
471.14285	5.2
497.15897	4.2
509.16440	3.2
527.17072	2.7
585.19006	3.8
599.50708	2.6
601.18463	9.7
603.19592	6.7
605.21558	11.6
615.20190	28.0
617.21149	5.0
621.20691	4.0
633.21252	60.0
645.20770	5.7
651.22778	12.3
663.22351	22.1
681.23157	32.2
693.23309	6.4
711.23932	4.7
729.24786	8.5
729.42352	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	729.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01872	2.4
65.03942	1.7
79.05483	1.4
81.03426	2.1
91.05492	5.7
93.03404	1.2
94.04189	3.4
95.04935	1.9
103.05447	2.9
105.03393	1.2
105.06984	2.4
107.04937	2.9
108.05688	1.1
109.02892	3.6
109.30624	0.9
115.05443	6.5
116.06232	1.1
117.07026	4.8
119.04941	2.0
121.02872	1.3
121.06481	2.9
121.33511	1.1
122.03675	4.8
123.04426	7.1
125.06043	1.5
128.06226	6.3
129.07028	10.2
131.04951	10.2
131.08537	1.8
133.02864	3.5
133.06502	2.2
133.50989	0.9
135.04442	4.1
137.02327	2.8
137.05991	62.5
143.04907	4.1
143.08601	1.4
144.05701	2.4
145.06497	23.5
146.07283	7.2
147.04413	3.7
147.08023	1.7
149.02357	1.0
149.05943	2.2
151.03958	10.9
151.07550	19.0
153.05537	1.0
153.06956	0.9
155.06128	1.2
156.05664	1.2
157.06511	10.3
158.07312	4.6
159.04442	3.3
159.08080	15.4
160.05212	4.5
160.08847	10.4
161.02426	1.1
161.05978	9.0
161.09467	1.1
162.06781	3.9
163.03949	2.6
163.07545	3.0
165.01877	2.7
165.05504	2.3
165.06929	2.2
167.03487	1.1
169.06529	2.5
171.04437	1.5
171.08047	2.7
172.05203	1.3
172.08871	6.9
173.05978	7.3
174.06764	8.9
175.03960	11.0
175.07552	22.1
176.08339	10.0
177.05531	1.9
177.09126	12.7
178.07675	1.2
179.07043	3.5
179.08533	1.5
181.06502	2.7
182.07256	4.3
183.07993	1.3
184.07391	0.9
184.08896	1.5
185.06010	3.3
186.06741	1.1
187.07594	11.2
188.08357	11.7
189.09125	100.0
190.07927	1.0
190.09772	3.2
190.78130	0.9
191.03419	9.1
191.07037	1.7
191.08820	1.4
191.10675	13.0
192.04153	2.8
192.07785	1.3
193.05029	3.4
193.06589	1.4
194.07275	1.3
195.08058	4.0
196.08836	2.5
197.05991	1.5
198.06825	1.8
199.07547	3.7
200.08295	1.6
201.05380	1.1
201.09111	12.7
202.08049	1.0
202.09880	3.8
203.07007	3.1
203.08626	2.6
203.10643	16.3
205.06636	2.0
205.08614	4.3
206.07275	2.1
207.08109	5.8
207.09895	1.1
208.08792	5.3
209.05977	1.1
209.09636	2.6
210.06747	1.7
211.07491	2.2
212.08296	1.7
213.09103	8.9
214.09874	2.7
215.10733	3.7
217.06754	1.0
217.08528	4.2
218.07259	1.8
219.08073	7.0
219.10184	17.4
220.08771	3.0
221.06024	1.3
221.09648	2.0
222.06790	2.3
222.10429	1.1
223.07516	2.6
224.08379	3.5
225.05504	1.2
225.09087	3.8
226.09947	2.0
227.07036	1.8
227.10721	2.2
229.05008	1.2
229.08601	1.2
231.08038	2.3
231.10149	10.8
232.08788	2.9
233.06071	1.9
233.09622	1.8
234.06760	2.6
234.10431	1.9
235.07584	8.1
235.09610	1.5
236.08276	3.6
237.05722	1.2
237.09140	3.1
238.09915	1.8
239.07021	1.8
239.10696	10.9
241.08640	1.8
246.06766	2.0
247.07480	5.9
248.08275	6.6
249.05486	2.0
249.09108	6.2
249.11360	2.2
250.06363	1.6
250.09828	2.0
251.07050	1.4
251.10696	8.2
253.08653	6.9
253.12430	2.2
254.09126	1.1
255.06538	1.5
255.10170	2.2
257.04535	1.3
257.08179	1.3
257.11780	1.1
259.07507	2.5
260.08365	2.8
261.09091	3.4
262.06369	1.3
262.09900	2.7
263.07147	6.9
263.10614	6.0
264.07779	4.9
264.11475	1.1
265.08630	7.5
265.12164	1.9
266.09250	2.2
267.07333	1.4
267.10193	10.5
275.06970	4.9
275.10391	0.8
276.08029	4.3
277.08664	9.4
278.09366	3.9
279.07043	2.0
279.10175	24.0
280.10907	2.4
281.08298	1.8
281.11636	1.8
283.06061	1.2
283.09637	1.3
285.11304	1.5
289.08575	3.8
290.09399	7.1
291.06973	1.5
291.10162	9.5
292.10876	2.0
293.08093	4.2
293.11609	2.4
294.08981	1.0
295.09689	6.7
297.11069	2.1
304.07272	0.9
305.08014	2.8
306.08994	5.0
307.09680	25.1
308.10382	6.7
309.11163	9.1
317.08142	1.2
319.09653	6.5
320.10507	4.1
321.07913	1.3
321.11246	22.1
322.08301	1.3
323.09149	2.0
323.12698	1.3
325.10773	5.0
327.12320	1.4
333.11179	1.9
335.09265	3.0
337.10721	18.9
338.11661	4.4
339.12369	3.7
343.12149	1.5
349.10696	3.9
350.11377	3.0
351.12271	14.7
355.11713	3.9
365.34464	1.0
367.12076	4.8
368.12616	11.5
369.13339	10.6
381.11353	1.1
391.58896	1.1
411.12283	1.9
429.13263	1.5
445.12729	1.2
447.14322	1.8
449.14081	1.3
459.14383	1.6
467.14655	1.4
471.14310	2.9
475.13535	1.1
479.14661	1.4
487.14011	1.2
497.15915	3.2
509.15756	1.4
527.16998	1.3
539.16718	1.3
585.19153	1.6
601.18585	4.2
603.20404	1.6
605.21906	5.4
615.10760	1.2
615.20129	17.8
621.20825	1.7
633.21234	26.1
635.22083	2.0
645.20715	3.5
651.22021	5.7
663.22272	9.8
681.23352	13.8
693.22876	3.1
711.24207	6.0
729.24689	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	729.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
55.01872	2.8
58.55964	0.8
65.03936	1.6
70.06586	0.8
77.03937	0.8
79.05474	1.9
81.03422	2.6
81.07067	0.7
82.30890	0.8
84.44645	0.7
91.05503	4.2
92.52486	0.7
93.03408	1.2
94.04195	2.4
95.04961	1.4
98.21613	1.6
103.05464	5.1
105.07043	1.8
106.72675	0.8
107.04945	2.7
108.05794	0.7
109.02867	1.9
109.06510	1.2
111.04427	1.1
115.05441	6.5
116.06268	1.3
117.07025	3.8
119.04960	2.0
121.02918	1.3
121.06496	2.9
122.03686	5.7
123.04423	4.6
125.02379	1.0
125.05934	1.2
128.06218	4.7
129.07018	10.5
131.04926	7.7
131.08537	1.1
132.05688	1.2
133.02849	2.0
133.06490	2.4
135.04416	5.3
136.05211	1.4
137.02368	1.8
137.05984	70.0
139.03877	1.2
141.06982	0.9
143.04965	4.7
143.08598	0.7
144.05716	3.1
145.06493	21.3
146.07260	6.5
147.04410	2.7
147.08086	1.6
149.02408	1.2
149.05992	1.2
151.03912	9.1
151.07555	18.0
153.05507	1.5
155.06064	1.5
155.61713	0.7
156.05782	1.2
157.06494	10.7
158.07309	5.6
159.04446	2.1
159.08066	14.2
160.05168	4.9
160.08868	9.4
161.06003	7.6
161.09749	0.9
162.06763	3.4
163.03957	4.4
163.05081	0.7
163.07547	2.9
165.01918	4.1
165.05479	2.0
165.06931	1.5
166.07765	0.9
167.03418	1.6
169.06544	1.3
170.07245	0.9
171.04381	0.9
171.08038	2.7
172.05180	2.1
172.08824	5.4
173.05977	7.0
174.06778	7.3
175.03951	9.2
175.07574	18.4
176.08342	10.5
177.05522	1.0
177.09122	11.2
178.02644	1.7
179.07051	3.6
179.08534	1.2
181.06511	2.8
182.07298	5.2
183.08116	1.6
184.08833	1.1
185.05980	1.7
186.06717	1.3
187.07553	11.3
188.08339	9.8
189.09120	100.0
190.07921	0.9
190.09729	2.8
191.03419	9.2
191.07022	1.7
191.08672	2.1
191.10680	12.5
192.04214	2.7
193.04985	3.1
193.06581	1.3
194.07344	0.8
195.08066	4.3
196.08807	2.9
197.05994	2.0
198.06886	1.0
199.07576	2.8
200.08308	1.4
201.05489	1.4
201.09109	10.8
202.07982	1.2
202.09895	4.0
203.06938	2.0
203.08688	2.1
203.10637	16.3
205.06696	1.4
205.08609	3.6
206.07286	1.9
207.08025	5.5
208.08830	5.7
209.06075	1.7
209.09637	1.8
211.07561	1.8
212.04620	1.0
212.08316	2.2
213.05492	1.2
213.09105	9.6
214.09898	3.0
215.10652	3.2
217.06682	1.4
217.08582	5.4
218.07294	2.1
218.09416	0.8
219.08067	8.5
219.10190	19.9
220.08890	3.3
221.05971	1.4
221.09669	2.9
223.07533	1.5
224.08382	3.6
225.05414	0.8
225.09148	2.9
226.09937	1.1
227.07101	2.1
227.10663	1.7
229.04909	1.2
229.08551	1.7
231.08000	3.4
231.10204	11.8
232.08809	2.5
232.10957	0.8
233.05986	1.9
233.09599	2.4
234.06734	2.7
234.10439	2.2
235.07547	6.9
236.08342	5.4
237.09122	2.8
238.09920	2.0
239.07043	1.9
239.10669	8.1
240.07716	1.3
241.08658	2.1
246.06662	1.4
246.81007	0.9
247.07578	6.7
247.09708	1.3
248.08339	7.1
249.05391	1.3
249.09082	4.9
249.11340	2.2
250.06361	1.2
250.09865	3.1
251.07060	1.9
251.10675	8.8
252.07719	1.5
253.08650	6.3
253.12309	1.9
255.06503	2.7
255.10231	1.7
257.04434	0.9
257.08029	1.3
259.07574	2.1
260.08359	2.7
261.09088	3.7
262.06433	1.1
262.09882	2.6
263.07214	6.0
263.10611	6.9
264.07840	4.2
264.11169	1.0
265.08609	5.7
265.12198	1.9
266.09311	1.2
267.07025	1.1
267.10202	11.1
269.07935	1.6
269.11783	1.0
275.07062	4.7
275.10446	1.5
276.07852	3.3
277.08633	7.5
277.11490	1.0
278.05798	0.9
278.09369	4.4
279.07068	1.2
279.10156	24.8
279.13101	1.6
280.07535	1.0
280.10880	3.3
281.08240	1.3
281.11627	1.5
283.09647	2.3
285.11276	1.6
289.08612	3.7
290.09445	8.7
291.06482	2.8
291.10147	11.6
292.07294	2.2
292.10913	2.4
293.08112	4.1
293.11682	2.7
294.08945	1.4
295.06207	1.1
295.09641	7.8
296.10144	1.1
297.11243	2.4
303.06821	1.0
303.10165	1.7
305.08054	2.8
306.08832	3.6
307.09631	24.7
308.10440	6.8
309.11227	8.1
310.11758	1.1
311.12555	0.9
313.10980	1.0
319.09656	7.1
320.10495	4.7
321.07788	1.4
321.11200	20.8
322.11862	0.8
323.09155	2.4
323.12909	2.3
325.10751	5.8
327.12286	2.7
333.11273	2.1
335.09161	2.6
337.10733	22.5
338.11496	5.1
339.12479	4.2
343.11676	2.1
349.10803	6.0
350.11691	3.9
351.12311	15.8
355.11688	3.0
367.11938	5.0
368.12677	12.7
369.13434	12.9
411.11987	1.8
421.14404	1.3
429.13498	1.5
441.13312	1.5
445.12839	1.8
447.14084	1.5
449.13690	1.3
453.13449	1.2
455.13275	0.8
459.14072	1.1
467.14618	1.2
469.16077	1.1
471.14368	2.2
475.13879	1.2
479.14621	2.6
487.14047	1.6
491.14639	1.0
497.15884	2.3
509.15460	1.2
527.17407	1.3
532.59436	0.9
539.16827	2.3
557.18427	1.7
585.18616	0.9
587.21045	0.9
597.18921	1.4
601.18591	4.9
602.19025	1.9
603.19757	2.9
605.21631	4.3
615.20135	15.4
617.21698	2.3
621.20526	1.5
633.21185	31.8
634.21301	1.2
635.21704	1.8
645.21112	4.4
651.21997	6.1
663.22272	13.0
675.21887	1.3
681.23279	16.4
693.22888	5.0
711.24335	6.6
729.25287	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	729.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14793	0.3
53.03948	0.4
53.23683	0.3
55.01621	0.4
55.01874	3.3
64.66029	0.3
65.03950	1.0
67.05504	1.2
68.99789	0.7
69.03446	0.7
71.05000	0.3
71.08954	0.4
71.45654	0.2
79.05502	1.5
81.02481	0.3
81.02963	0.4
81.03419	2.9
81.07063	0.6
83.04993	0.6
85.02917	0.6
91.05494	3.1
93.03409	0.6
93.07072	0.4
94.04196	1.1
95.01351	0.4
95.04977	1.2
95.08625	0.3
97.02886	0.7
103.05454	1.5
105.03409	1.0
105.04523	0.3
105.07058	1.1
107.01318	0.3
107.04963	1.7
109.02885	1.1
109.06490	0.4
111.04450	1.0
113.02382	0.3
115.05457	3.7
116.06252	0.5
117.07023	2.5
119.04971	1.1
121.02879	1.1
121.06516	1.4
122.03630	3.1
123.04440	2.4
125.02358	0.7
125.05963	0.5
128.06210	3.3
129.07014	6.3
131.04930	4.2
131.08580	0.7
131.78308	0.3
132.05685	0.3
133.02867	1.1
133.06497	0.8
133.28670	0.4
135.04420	3.7
136.05190	0.9
137.02408	1.9
137.05983	39.7
138.03105	0.3
138.06721	0.5
139.03906	0.5
141.07007	1.1
143.04924	2.6
143.08551	0.9
144.05684	2.0
145.06491	16.3
146.03604	0.3
146.07285	4.3
147.04454	1.7
147.07988	0.7
149.02394	1.5
149.05981	0.8
151.03941	4.4
151.05029	0.4
151.07550	14.6
152.06258	0.6
153.01773	0.6
153.05473	0.7
153.06964	0.7
155.03473	0.5
155.04872	0.5
155.06032	1.0
155.08621	0.5
156.05705	0.7
157.06490	7.6
158.07268	4.8
159.04417	2.0
159.08069	4.0
160.05206	3.4
160.08815	1.3
161.05984	4.0
161.09612	0.4
162.03110	0.3
162.06740	2.0
163.03911	2.4
163.07556	1.3
165.01857	1.2
165.05484	2.7
165.06975	1.1
165.09148	0.7
167.03372	0.5
167.08533	0.5
168.05704	0.4
169.06480	1.0
170.07086	0.4
171.04410	0.6
171.08041	2.3
172.05150	1.0
172.08846	6.8
172.10315	0.4
173.05984	6.4
173.09450	0.4
174.06781	6.8
175.04024	1.5
175.07553	12.4
176.04688	1.1
176.08307	2.9
177.05490	0.9
177.09108	6.7
178.07808	0.5
179.03452	0.6
179.07025	1.9
179.08554	1.0
181.05075	0.4
181.06432	1.5
182.07297	1.3
183.08055	1.2
184.05122	0.4
184.08870	0.9
185.05997	2.0
186.06763	1.3
187.07558	9.4
188.08328	11.0
188.10036	0.5
189.09116	100.0
190.07889	0.4
190.09448	1.5
191.03378	0.7
191.07083	0.6
191.08626	1.0
191.10684	2.1
193.04973	1.2
193.06482	0.4
194.07256	0.4
195.08084	2.1
196.05205	0.7
196.08806	1.6
197.05988	1.6
198.06779	1.1
199.07579	1.8
200.08250	1.8
201.05464	1.4
201.09114	20.3
202.07886	0.5
202.09793	2.8
203.06982	1.1
203.08679	1.2
203.10663	22.4
204.07768	0.4
205.06523	1.2
205.08626	2.6
205.12158	0.3
206.07326	0.6
207.08105	1.4
208.08812	1.6
209.04422	1.0
209.06114	0.6
209.09602	1.0
210.06786	0.6
211.07599	2.5
212.08348	1.4
213.05594	0.6
213.09119	4.3
214.09966	0.8
215.07004	1.0
215.10670	6.5
216.07794	0.7
217.06554	0.6
217.08537	3.1
218.07254	1.1
218.09177	0.4
219.08057	3.3
219.10173	2.7
220.08893	0.9
221.06017	0.6
221.09630	1.4
221.11786	1.0
222.06860	0.5
222.10442	0.7
223.07555	1.4
224.08360	1.9
225.05511	0.9
225.09085	2.4
226.06219	0.5
226.09883	1.2
227.07043	1.6
227.10623	2.8
228.07899	0.4
228.11476	0.4
229.04941	1.1
229.08583	2.2
229.12234	0.7
230.09393	0.3
231.08118	1.6
231.10158	23.7
232.08800	0.9
233.06071	0.6
233.09550	0.9
233.11789	1.0
234.06744	0.9
234.10464	0.5
235.07509	2.2
235.09447	0.4
236.08304	0.6
237.09094	1.4
238.09842	1.3
239.07152	1.5
239.10684	3.8
240.07834	1.4
240.11494	0.5
241.04996	0.6
241.08603	3.6
241.12218	0.7
242.09341	0.6
243.10172	1.2
245.09651	0.4
246.06963	0.5
247.07541	2.2
247.09753	1.2
248.08347	1.3
249.09050	1.9
249.11272	3.8
250.06143	0.6
250.09956	1.0
251.07086	0.8
251.10725	2.0
252.07813	0.5
252.11530	0.4
253.08504	1.8
253.12234	1.1
254.09395	1.9
255.06511	2.9
255.10085	3.1
257.08023	0.6
257.11911	1.4
259.07672	0.6
260.08350	0.7
261.05701	0.3
261.09198	1.8
262.09906	1.1
263.07068	1.5
263.10654	3.0
264.07809	1.4
264.11255	0.5
265.08560	2.0
265.12250	0.9
266.09164	0.5
267.06552	1.0
267.10132	3.0
269.08032	1.9
269.11652	0.8
271.09717	0.6
275.06998	1.2
275.10605	0.9
276.07776	0.8
277.08649	3.4
278.09344	1.2
279.06616	0.7
279.10138	3.4
280.07440	0.4
280.10910	0.8
281.08011	1.2
281.11673	1.3
282.08630	0.4
282.12238	0.4
283.06274	0.4
283.09668	1.2
285.11298	0.5
288.07919	0.3
289.08582	1.4
290.09436	0.7
291.06915	0.3
291.10156	4.3
291.33853	0.3
292.07431	0.5
292.10880	1.5
293.08081	2.2
293.11755	1.9
294.08755	0.8
295.09634	4.0
296.10358	0.6
297.11218	1.3
303.10257	1.1
305.08200	0.8
305.11716	0.7
306.08871	0.7
307.09650	5.0
308.10358	1.0
309.07819	0.6
309.11227	3.6
310.11981	0.7
311.09369	0.6
311.12848	0.7
313.10806	0.7
319.09784	2.0
320.10654	1.4
321.07590	1.0
321.11234	3.4
323.09174	0.8
323.12790	0.4
325.10767	1.8
327.12332	0.8
332.10474	0.4
333.11209	0.8
335.09085	1.0
337.10767	3.4
338.11594	1.7
339.12274	2.4
343.12152	0.6
347.09134	0.4
349.10721	0.8
350.11523	0.5
351.08359	0.4
351.12439	1.5
355.11914	2.2
356.12204	0.4
361.10712	0.4
367.11914	1.8
368.12582	0.8
369.09348	0.5
369.10428	0.3
369.13354	1.9
385.12753	0.6
386.13437	0.6
389.09860	0.5
413.14075	0.5
429.13306	0.5
431.14963	0.7
433.12695	0.7
441.13058	0.5
445.12891	0.7
447.14688	0.7
449.13281	0.3
457.12759	0.9
459.14227	0.9
463.13861	1.0
469.13290	0.4
475.13989	0.6
477.15460	0.6
479.14404	0.6
487.13654	1.3
491.16400	0.4
505.14713	2.5
507.15915	0.3
509.15381	0.6
517.15021	0.6
523.16602	0.4
527.17438	0.5
535.15900	1.3
539.16241	0.5
557.17657	0.9
575.17639	0.3
587.19934	0.5
603.19855	0.5
605.21283	0.7
615.20135	1.5
617.20990	1.0
621.20197	0.4
623.20135	0.4
627.19867	0.4
629.22144	0.4
633.21094	1.9
635.22498	1.2
645.21161	1.8
651.21991	1.2
663.22284	3.9
675.21954	0.7
681.14001	0.3
681.23395	3.6
693.23346	3.4
699.23840	0.8
711.24298	8.0
729.25134	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	729.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36608	0.8
53.03949	1.1
55.01879	4.2
55.05510	1.2
65.03941	2.5
67.05494	2.8
70.06595	1.7
71.51714	0.8
71.52132	1.6
76.03143	0.7
79.05486	2.4
81.03427	4.4
81.07066	1.1
86.09706	1.7
91.05488	5.6
93.07041	1.5
94.04192	1.8
95.04957	1.2
100.07839	0.7
103.05467	4.0
105.03384	1.2
105.07037	2.8
107.04946	3.7
109.02878	2.9
111.04453	1.8
115.05456	5.1
116.07047	0.8
117.07001	3.9
119.04990	1.6
120.64425	0.8
121.02887	1.1
121.06521	3.5
122.03654	3.4
123.04430	4.4
125.02364	1.3
125.05994	1.2
128.06212	4.4
129.07027	12.1
131.04951	8.0
131.08546	1.2
132.05675	1.2
133.02856	2.3
133.06500	3.3
135.04442	13.3
136.05234	0.9
137.02351	2.1
137.05991	54.6
141.06989	1.6
143.04930	3.5
144.05698	2.8
145.06511	17.5
146.07280	5.5
147.04424	2.8
147.08066	1.8
149.02380	2.0
149.05984	1.1
150.33299	0.9
151.03918	8.0
151.07558	26.7
152.06261	0.9
153.05472	1.6
153.06966	1.1
155.04950	0.9
156.05721	1.2
157.06499	10.8
158.07306	6.2
159.04420	2.4
159.08058	16.0
160.05188	4.8
160.08844	7.8
161.06009	7.7
162.06779	3.1
163.03897	4.4
163.07584	3.5
165.01843	3.3
165.05547	1.6
165.07016	1.4
169.06485	2.7
171.04428	1.5
171.08098	2.1
172.05217	2.4
172.08839	6.4
173.04619	1.5
173.06003	18.4
174.06779	6.8
175.03944	7.8
175.07578	18.1
176.08324	11.0
177.05556	1.8
177.09143	11.3
178.02617	1.0
179.03401	1.0
179.07074	2.1
179.08519	1.2
181.06534	3.2
182.07253	3.1
183.08022	1.2
184.08894	1.0
185.05972	5.1
186.06812	1.4
187.07547	13.8
188.08356	9.4
189.09128	100.0
190.07883	0.9
190.09801	3.8
191.03403	6.5
191.07010	1.5
191.08647	2.0
191.10693	9.3
192.04231	3.3
192.07802	0.9
193.04967	3.7
193.06525	1.3
194.07307	1.4
195.08099	2.9
196.08841	2.9
197.06003	1.6
198.06764	1.3
199.07614	2.8
200.08353	2.0
201.05487	1.3
201.09151	13.5
202.08014	1.6
202.09915	4.6
203.06992	2.2
203.08841	1.6
203.10692	17.5
204.07755	1.0
205.06706	1.7
205.08640	3.7
207.08109	4.2
208.08815	4.0
209.06044	2.4
209.09572	1.0
210.06752	1.1
211.07565	2.5
212.08334	2.3
213.09149	8.6
214.09912	2.9
215.07065	3.0
215.10657	4.0
217.08563	6.4
218.07312	1.8
218.09282	1.3
219.08057	6.1
219.10197	17.3
220.08867	2.4
221.05980	1.8
221.09610	1.9
222.06732	1.7
223.07567	2.2
224.08344	3.4
225.05435	1.9
225.09137	3.1
226.06310	1.1
226.09790	1.0
227.07137	2.1
227.10715	2.4
229.08675	2.5
231.08130	2.0
231.10139	11.8
232.08835	2.3
233.06001	1.0
233.09718	1.7
234.06738	1.4
235.07579	6.7
236.08324	3.5
237.09053	2.7
238.09904	1.9
239.06979	1.8
239.10707	7.8
240.08015	1.2
241.08633	3.6
243.10234	2.0
246.06859	1.6
247.07591	5.9
247.09772	1.7
248.08382	6.2
249.05560	1.1
249.09331	4.8
249.11249	4.9
250.06334	1.3
250.09816	1.9
251.07063	2.8
251.10628	6.1
252.11520	1.2
253.08632	5.0
253.12405	1.4
254.09496	1.7
255.06563	3.7
255.10202	2.8
257.08200	1.4
259.07559	1.9
260.08490	2.3
261.09064	1.9
262.09961	1.6
263.07053	5.5
263.10764	5.8
264.07800	3.5
264.11481	1.4
265.08670	5.7
266.09418	2.0
267.07324	1.4
267.10193	8.7
269.08035	1.2
275.07050	4.5
275.10184	1.0
276.07938	2.7
277.08667	7.4
278.09372	3.0
279.06985	1.5
279.10193	16.9
280.10803	2.5
281.08228	2.2
281.11502	1.9
283.06195	1.1
283.09521	1.7
289.08682	3.2
290.09393	3.6
291.06812	1.4
291.10049	9.5
292.07465	2.0
292.10919	1.7
293.08136	4.9
293.11710	3.1
294.08698	1.2
295.09692	6.0
296.10345	1.1
297.11227	3.3
303.10226	1.7
304.07242	0.9
305.08130	2.6
306.08957	3.3
307.09653	18.6
308.10278	4.5
309.07727	1.6
309.11172	9.5
313.10785	0.9
319.09698	3.8
320.10339	4.1
321.07724	1.9
321.11200	18.9
322.08496	1.1
323.09171	1.8
323.12506	1.7
325.10818	4.2
327.12527	1.6
335.09256	2.8
337.10742	17.0
338.11517	3.5
339.12241	3.8
349.10864	4.3
350.11612	2.7
351.08823	0.7
351.12350	13.9
355.11942	5.4
367.11780	3.2
368.12598	11.4
369.13437	15.1
393.07516	1.0
411.12213	1.5
429.13290	1.7
430.57483	0.9
445.13126	1.9
447.14603	1.8
449.14059	1.3
459.14832	1.1
471.14548	2.0
475.13361	1.1
497.16095	1.9
517.15222	1.3
527.16791	1.6
539.16620	1.2
585.18878	1.0
587.20001	1.2
601.18475	3.7
603.20111	2.1
605.21643	4.1
615.20209	12.8
617.21417	2.5
621.21155	2.6
633.21222	21.4
635.22675	2.0
645.21661	3.9
651.22369	5.1
663.13123	0.9
663.22430	10.4
681.23401	11.8
693.22839	3.8
711.24335	7.5
729.24231	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10684	2.4
53.03933	2.1
55.01863	5.2
61.38612	1.8
61.53252	2.0
61.66143	1.7
67.05494	2.8
69.07056	2.9
70.06590	9.5
71.52483	2.1
71.52886	1.9
75.28192	1.7
77.03934	2.6
77.42251	1.8
77.56815	1.7
79.05498	4.3
81.03417	2.9
81.07041	3.5
86.09716	10.5
91.05465	3.5
95.08600	2.5
97.02717	1.8
103.05458	4.2
109.02863	2.6
111.04392	2.0
115.05476	14.7
116.07072	2.4
117.07011	6.7
120.08094	2.2
123.04414	3.4
127.05341	2.2
128.06226	5.8
129.06992	20.5
131.04904	6.9
135.04425	81.4
137.02333	3.3
141.06973	2.8
143.04924	8.2
145.06458	5.4
149.02339	11.5
151.03932	2.2
157.06509	19.7
159.04411	6.8
160.05235	3.3
161.06010	11.2
163.03893	2.7
165.06981	2.8
169.06412	4.1
173.06000	100.0
173.57623	1.9
181.06461	3.2
185.05977	29.7
186.06737	7.4
187.07544	23.1
189.07053	3.5
189.09021	2.2
197.06013	9.4
199.07480	5.2
201.05420	3.9
203.07043	9.4
207.07938	4.6
209.05972	4.6
211.07585	4.8
211.14545	2.2
215.07036	23.7
219.07933	5.1
223.07497	6.4
225.05513	11.3
233.08081	10.2
235.07539	6.4
237.09067	3.4
238.06351	2.5
239.07014	5.7
246.06584	2.2
247.07587	12.1
249.09038	3.9
251.07002	7.0
253.04935	5.5
259.07553	2.5
263.06989	5.5
265.08585	4.0
267.06500	3.8
275.07001	10.8
277.08612	5.7
279.06577	2.3
281.08456	2.6
291.06610	4.0
292.07095	1.9
293.07980	4.6
297.07364	3.1
303.06555	3.1
304.07248	6.2
305.08179	9.8
317.08237	2.3
321.07584	4.5
323.08951	3.7
335.09091	2.3
339.08746	2.6
351.08698	2.8
353.10016	2.7
397.61356	2.1
491.13678	2.7
503.13535	3.1
587.17346	2.2
599.17578	2.8
615.16614	2.9
633.17773	4.4
645.16980	3.0
647.19250	2.5
663.18054	4.7
693.19574	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	729.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
55.01888	4.8
59.57653	1.0
60.46523	0.8
65.03941	1.5
67.05512	1.8
68.99807	0.9
69.03435	1.2
70.06598	1.2
71.52767	1.6
71.56715	0.8
77.03951	2.2
79.05495	3.9
80.68596	0.9
81.03425	4.5
81.07061	1.4
83.04987	1.3
86.09708	3.8
90.22202	1.0
91.05467	5.0
93.03406	1.2
93.07086	1.7
95.04948	1.5
97.02901	1.0
103.05486	6.2
105.03397	2.3
105.07059	1.7
107.04961	3.3
109.02871	2.2
109.06526	1.0
111.04448	1.4
115.05463	16.7
117.07037	7.8
119.04971	1.3
121.02865	1.7
121.06463	2.3
121.10150	1.2
122.03638	2.8
123.04425	3.8
125.05976	1.0
128.06203	8.5
129.07022	20.3
131.04933	8.9
131.08633	1.5
133.02811	2.0
133.06519	1.6
135.04428	66.4
135.11674	1.0
136.04756	2.8
137.02365	3.9
137.05992	27.0
139.05486	1.4
141.07002	2.1
142.09494	0.9
143.04971	7.9
144.05768	2.8
145.06493	15.3
145.07541	1.6
146.07292	2.0
147.04443	3.8
147.08116	1.0
149.02351	8.0
149.06007	2.6
149.99225	0.9
151.03914	8.0
151.07533	15.3
153.07018	2.8
155.04927	1.3
156.05676	1.1
157.06516	23.8
158.07277	2.0
159.04437	5.6
159.08063	3.1
160.05200	3.0
160.08878	7.0
161.05989	12.6
163.03934	4.0
163.07547	1.7
165.01807	2.1
165.05493	3.5
165.07022	3.3
167.04839	1.4
167.08565	1.3
169.06519	2.1
171.04443	2.0
172.05278	2.4
172.08809	2.4
173.06003	100.0
174.06595	3.0
175.03955	6.2
175.07539	10.7
176.08308	3.6
177.05548	1.5
177.09106	5.9
178.28499	1.0
179.03400	1.0
179.07083	1.1
179.08583	1.6
181.06482	5.1
182.07265	2.2
183.08095	1.4
184.07437	1.9
185.06009	28.9
186.06732	5.6
187.07558	24.0
188.08350	6.8
189.05585	4.8
189.07304	2.0
189.09113	27.8
190.09644	0.9
191.03465	1.6
191.08600	2.7
191.10696	7.1
193.04938	1.9
193.06514	1.4
195.08051	3.2
197.06004	7.8
198.06798	1.8
199.07579	5.5
201.05521	3.8
201.09068	6.4
203.06963	7.4
203.08629	2.5
203.10654	5.5
205.06543	3.8
205.08589	2.5
206.07268	1.9
207.08041	4.4
208.08932	1.4
209.06104	4.8
210.06754	1.9
211.07646	4.5
211.55226	1.1
213.05521	2.3
213.09123	3.1
214.09850	1.4
215.07045	19.6
215.10400	1.1
217.06644	1.8
217.08656	3.4
218.07208	1.5
218.09181	1.3
219.08092	6.9
219.10205	14.0
220.08768	2.4
220.10812	1.0
221.05992	2.5
221.09567	1.3
222.06737	1.4
223.07573	6.1
224.08383	2.3
225.05467	11.1
225.09146	2.2
226.06242	1.0
227.07123	2.6
227.10558	1.4
229.05006	1.6
229.08656	1.2
231.08218	1.7
231.10072	1.8
232.08923	2.0
233.05968	2.3
233.08150	7.1
235.07535	9.0
236.08311	2.2
237.05507	2.3
237.09073	3.5
238.06320	1.3
239.07027	4.8
239.10690	4.0
240.07791	1.0
241.08640	2.2
246.06776	2.0
247.07585	11.4
248.08394	5.6
249.05434	2.2
249.09190	4.1
251.07137	4.8
251.10695	3.6
253.05029	4.4
253.08572	4.4
255.06561	3.5
257.08136	1.3
259.07703	2.3
260.08456	1.5
261.05612	1.0
261.09164	2.0
262.09961	1.2
263.07071	6.7
263.10626	3.4
264.07855	4.5
265.05029	1.2
265.08640	6.4
265.11899	1.1
266.09045	1.3
267.06619	3.4
267.10162	4.2
271.06152	1.2
274.06354	1.4
275.07025	8.8
276.07852	3.8
276.26849	1.8
277.08450	7.7
278.09253	2.6
279.06604	3.0
279.10187	11.3
280.10779	2.1
281.08121	2.9
283.06268	1.4
283.09644	1.0
285.11206	1.3
287.07053	2.4
289.08539	2.9
290.05710	1.1
290.09247	2.5
291.06494	4.3
291.10159	4.6
292.07245	1.9
292.10608	1.6
293.08099	7.0
293.11380	2.0
294.08936	1.1
295.09705	6.0
297.07489	2.2
303.06335	2.6
304.07297	3.5
305.08133	7.3
306.08881	1.7
307.09634	13.5
308.10342	2.6
309.07700	1.5
309.11176	4.0
317.08246	2.1
319.06470	1.2
319.09818	3.4
321.07501	3.7
321.11200	5.3
322.08463	2.0
323.09167	3.7
324.10114	1.1
325.10791	2.5
335.09131	3.1
337.10974	7.4
338.10956	1.2
339.12122	2.5
343.09528	1.1
349.10571	1.8
350.11493	1.3
351.08386	1.3
351.12253	3.7
353.09927	1.9
355.11816	1.0
367.11508	1.6
368.12491	2.4
443.10919	1.4
461.12381	1.4
463.12512	1.1
471.13980	1.6
475.14401	1.3
479.14685	1.2
485.12537	1.1
491.13184	1.1
497.15710	1.3
503.12677	1.7
539.15161	1.2
541.14978	1.5
585.15906	1.0
587.16687	2.2
597.15179	2.0
601.18115	2.0
603.18958	1.5
605.20734	2.7
615.20239	7.2
617.18512	1.6
621.20148	1.0
627.16547	2.0
633.21216	13.9
645.18298	3.6
651.21722	2.9
663.22339	6.2
675.19183	2.0
681.23016	7.7
693.20190	7.2
705.58429	1.3
711.21960	4.8
729.23657	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	728.459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
55.05518	10.5
57.03448	8.2
57.07064	1.7
60.47926	1.5
61.02919	3.0
65.03956	2.4
66.43855	1.4
67.05511	51.4
67.11638	1.4
69.03423	3.0
69.07070	15.3
71.05003	5.4
71.08645	2.8
71.52405	2.3
73.06571	1.7
79.05502	24.4
81.03429	4.1
81.07063	47.9
83.04987	6.6
83.08627	6.3
85.02905	1.9
85.06555	4.2
91.05491	30.3
93.07050	33.8
95.04984	4.7
95.08613	21.8
97.06495	3.0
97.10170	1.7
105.07050	25.4
107.08598	30.3
109.06496	3.5
109.10167	48.8
111.08066	1.5
113.05997	2.6
117.06994	3.3
119.08622	7.3
121.06503	1.5
121.10142	9.8
123.11701	8.7
127.07545	1.6
129.07030	1.8
131.08632	5.0
133.09114	2.7
133.10143	50.7
133.89116	1.5
135.11714	5.1
137.09744	1.5
141.96964	1.3
143.08640	2.5
145.10130	4.8
147.11723	4.2
149.13252	4.0
151.10123	2.6
151.11212	23.4
159.11729	2.6
161.09669	1.8
161.13213	1.9
169.12297	5.7
175.07532	1.5
179.10796	1.6
188.23827	1.4
189.12639	1.8
215.12755	2.1
243.21173	3.1
253.14374	100.0
257.80884	1.6
261.22144	9.2
271.15417	28.1
276.26935	2.1
293.21213	4.4
317.24692	2.1
335.25821	49.7
401.52390	1.5
513.35693	8.0
531.36823	46.6
561.37964	3.3
599.50427	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	728.459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
55.05518	10.5
57.03448	8.2
57.07064	1.7
60.47926	1.5
61.02919	3.0
65.03956	2.4
66.43855	1.4
67.05511	51.4
67.11638	1.4
69.03423	3.0
69.07070	15.3
71.05003	5.4
71.08645	2.8
71.52405	2.3
73.06571	1.7
79.05502	24.4
81.03429	4.1
81.07063	47.9
83.04987	6.6
83.08627	6.3
85.02905	1.9
85.06555	4.2
91.05491	30.3
93.07050	33.8
95.04984	4.7
95.08613	21.8
97.06495	3.0
97.10170	1.7
105.07050	25.4
107.08598	30.3
109.06496	3.5
109.10167	48.8
111.08066	1.5
113.05997	2.6
117.06994	3.3
119.08622	7.3
121.06503	1.5
121.10142	9.8
123.11701	8.7
127.07545	1.6
129.07030	1.8
131.08632	5.0
133.09114	2.7
133.10143	50.7
133.89116	1.5
135.11714	5.1
137.09744	1.5
141.96964	1.3
143.08640	2.5
145.10130	4.8
147.11723	4.2
149.13252	4.0
151.10123	2.6
151.11212	23.4
159.11729	2.6
161.09669	1.8
161.13213	1.9
169.12297	5.7
175.07532	1.5
179.10796	1.6
188.23827	1.4
189.12639	1.8
215.12755	2.1
243.21173	3.1
253.14374	100.0
257.80884	1.6
261.22144	9.2
271.15417	28.1
276.26935	2.1
293.21213	4.4
317.24692	2.1
335.25821	49.7
401.52390	1.5
513.35693	8.0
531.36823	46.6
561.37964	3.3
599.50427	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	727.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.8
53.81868	0.3
55.01876	0.5
55.05515	1.8
57.03439	1.6
58.89020	0.3
61.02935	3.4
67.05508	3.5
69.03422	2.4
69.07085	1.1
70.64323	1.1
71.01366	0.4
71.04996	1.5
73.02914	2.4
79.05501	3.4
81.03423	4.7
81.07056	3.7
81.18725	0.3
82.03745	0.4
83.04990	1.3
83.08631	1.6
85.02903	3.1
85.06538	0.8
87.04468	0.6
91.03965	1.6
91.05487	3.7
93.07057	3.2
93.68230	0.3
95.04977	1.6
95.08613	2.8
96.03702	0.3
97.02888	2.9
97.06550	0.9
97.10180	0.4
99.04465	0.7
101.02398	1.2
103.03999	0.4
105.07042	2.5
107.04990	1.5
107.08614	2.3
109.02930	1.0
109.06548	0.9
109.10220	1.0
111.04462	0.5
111.08131	0.6
117.07035	0.9
118.58778	0.4
119.08573	1.8
119.66016	0.3
121.06544	0.5
121.10170	2.0
123.04444	0.6
123.08070	0.8
125.09615	0.5
127.03947	1.3
129.07050	1.2
131.08589	1.2
132.08897	0.4
133.02815	0.3
133.10112	1.6
135.11723	2.2
137.06001	0.5
137.09746	0.4
145.10159	1.6
147.06355	0.4
147.11745	1.2
149.09596	1.8
157.08960	0.3
157.10187	1.2
163.11185	3.2
165.09148	0.6
165.12784	0.4
175.11270	1.2
181.05118	0.4
181.12326	0.9
193.12318	1.5
203.05347	0.6
211.13170	0.5
219.10052	0.6
225.14912	0.8
226.89320	0.4
227.12781	3.1
229.14464	0.5
243.08417	2.7
249.11017	6.5
267.15866	1.7
268.16425	0.5
283.15286	2.0
285.16940	0.4
305.13565	1.7
339.17831	0.7
448.28146	0.6
461.28870	0.6
462.29636	1.4
463.48688	0.4
467.18958	10.7
469.20493	0.5
469.51688	0.4
478.29056	0.4
480.28958	0.4
498.96240	0.4
501.23080	14.9
565.29901	0.7
727.35150	100.0
728.35291	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	727.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
53.97524	0.6
55.01887	1.8
57.03436	1.5
58.61231	0.5
58.71912	0.6
61.02933	3.4
69.03438	7.3
70.00848	1.1
70.01257	2.0
70.06606	0.8
71.04997	1.1
73.02915	1.2
79.05518	1.4
81.03429	12.2
85.02915	29.1
85.72753	0.6
91.03985	0.9
95.01379	0.7
97.02904	10.4
99.04486	1.9
103.05515	1.5
105.07030	1.2
109.02889	4.0
109.06560	1.3
110.03651	3.3
110.07260	0.7
111.08111	0.6
115.05436	4.0
117.07040	1.9
121.06509	0.8
123.04478	1.8
124.05246	1.5
125.02367	2.1
125.06010	10.8
127.03925	9.3
128.06227	1.4
129.07005	7.7
131.04950	3.1
133.06532	0.8
135.04427	15.1
137.02394	1.4
137.06001	1.9
138.03148	0.7
139.07556	8.5
143.04935	4.5
145.02933	0.8
145.05005	5.4
145.06450	5.0
147.04449	1.9
147.08052	1.3
149.02362	4.8
149.05983	0.8
150.79138	0.6
151.03922	3.1
151.07573	2.0
152.04720	6.1
153.05455	3.2
155.04944	0.8
155.07083	1.0
157.06512	12.0
159.04395	2.4
160.05270	0.7
161.05991	4.4
163.06042	0.9
167.07060	93.0
171.04387	5.2
173.06013	16.5
175.07567	2.6
177.05444	1.2
179.07072	2.4
181.04977	100.0
183.04465	1.4
185.05980	5.5
186.06773	3.1
187.07564	5.4
189.05492	22.8
190.06013	0.9
191.07088	1.7
195.06564	0.8
201.05490	13.3
203.07053	13.4
205.08546	1.6
207.06516	2.0
207.10226	0.8
213.05478	2.3
217.08600	0.8
218.05754	1.5
219.06548	8.8
221.08163	2.4
221.27708	0.6
231.06554	18.4
233.08115	4.9
235.09688	17.7
241.90132	0.6
245.08060	0.9
249.07597	32.9
251.09311	3.7
263.06555	1.2
263.09183	20.5
265.08719	0.8
277.08435	0.9
278.09164	0.7
281.10266	7.0
294.08810	1.0
295.09207	0.7
297.11115	0.7
305.08099	0.8
306.09018	0.9
307.09543	1.2
311.30121	0.7
314.07953	0.7
317.06519	4.1
321.11105	1.4
323.09045	2.3
325.06906	0.6
325.10501	3.0
335.08939	0.9
336.10181	0.8
336.61343	0.7
337.10623	1.1
339.12247	1.6
340.09372	0.9
349.10660	1.2
355.11829	4.2
367.11847	9.6
373.12744	3.4
385.12863	25.3
387.14233	2.2
403.13928	18.4
661.65509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.6
55.01880	3.1
58.47688	1.7
65.03911	2.1
67.05502	3.8
69.28865	6.8
69.29301	8.4
72.08161	2.3
76.33649	1.7
79.05502	6.1
81.03429	4.0
81.07005	1.9
90.52941	1.7
91.05492	5.5
95.04955	2.2
102.15891	1.5
103.05499	5.6
105.03387	3.4
105.07041	3.4
107.04951	4.7
107.87234	1.8
109.02905	3.5
115.05462	7.6
117.07014	6.8
121.02914	2.0
121.06518	3.5
123.04439	6.4
128.06218	3.9
129.06998	9.1
131.04939	11.0
135.04425	100.0
137.05994	2.6
143.04944	6.6
144.05687	2.5
145.06490	17.0
146.07289	6.0
147.04391	2.9
149.02359	10.9
149.06064	2.2
151.03943	8.6
151.07541	23.7
155.04961	2.4
157.06540	11.7
158.07262	4.5
159.04384	3.8
159.08057	5.1
160.05156	2.6
160.08853	14.2
161.05998	8.0
162.06793	3.2
163.03868	3.3
163.07478	2.4
165.01799	4.1
165.05502	6.2
172.08835	3.3
173.06010	19.2
174.06860	5.0
175.03918	8.8
175.07555	6.8
176.08342	7.0
177.09071	10.7
179.08484	3.2
181.06523	3.8
182.07277	6.2
185.05988	11.1
186.06747	2.9
187.07568	11.4
188.08354	10.9
189.07283	1.9
189.09106	44.5
191.03423	5.0
191.07057	3.3
191.08794	3.3
191.10677	18.4
195.08118	4.2
196.08722	2.2
197.05980	3.4
199.07544	4.4
201.09125	6.3
202.09918	3.6
203.07019	6.0
203.08897	2.3
203.10591	8.9
205.06575	3.2
206.07324	3.5
207.08122	6.6
208.08842	5.3
209.06026	2.1
209.09590	2.0
213.09148	10.0
214.10037	3.7
215.06950	2.8
217.08607	4.4
219.08080	11.1
219.10201	27.3
220.08853	6.5
221.06145	2.2
222.06786	2.2
223.07486	3.4
224.08348	4.5
225.05458	2.3
225.09183	2.2
227.10725	2.3
231.08145	3.8
231.10216	2.2
232.08885	2.4
233.09732	2.2
235.07558	11.2
236.08301	4.8
237.09018	3.6
238.09915	2.9
239.10722	16.1
247.07603	9.6
248.08337	9.2
249.09126	5.4
250.10075	3.2
251.07053	4.4
251.10698	11.5
253.08624	10.7
253.12181	3.1
259.07455	4.8
260.08493	2.8
261.09106	3.0
262.09927	3.5
263.07050	7.9
263.10663	5.6
264.07748	5.8
265.08667	10.4
267.10089	8.7
275.07077	5.3
276.07816	3.3
277.08572	9.7
278.09412	4.2
279.10211	36.5
280.10855	3.5
283.09692	3.2
285.11368	2.1
289.08664	3.7
290.09344	7.1
291.06870	3.7
291.10175	11.9
291.73553	2.2
292.10989	3.2
293.08298	9.9
293.11374	2.8
294.08698	2.0
295.09692	6.2
295.12964	1.7
305.08090	8.4
306.08817	3.8
307.09686	30.5
308.10370	7.5
309.11221	8.2
319.09750	7.9
320.10397	4.2
321.11237	22.2
323.09140	5.9
325.10718	3.3
335.09265	2.8
337.10721	23.5
338.11478	5.0
339.12320	6.1
341.10388	2.2
349.10715	5.0
350.11606	2.7
351.12387	18.1
353.10059	3.2
367.11932	6.3
368.12466	8.9
429.13474	2.5
443.11008	2.5
469.12854	3.8
530.07501	1.9
583.17944	2.5
599.17212	9.9
601.18677	2.5
603.20209	10.1
613.18481	20.8
615.20685	2.5
619.19659	3.6
625.52582	2.2
631.19745	46.8
643.19531	4.0
649.20624	11.1
661.20544	15.9
662.20410	2.0
679.21942	27.8
691.21222	4.0
709.22217	4.3
727.23743	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	727.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
54.48909	1.3
55.01870	3.4
55.05497	1.4
63.31046	1.3
65.03935	2.7
69.80552	8.3
79.05491	6.4
81.03438	1.5
81.07056	1.4
91.05476	4.8
93.03425	1.6
95.04985	2.1
103.05470	6.6
105.03411	4.3
105.07033	2.9
107.04996	2.5
109.02844	2.5
115.05486	10.2
117.07040	6.1
119.04963	2.6
121.06511	3.1
122.03570	1.6
123.04462	5.2
128.06223	6.1
129.07019	12.7
131.04935	10.7
131.08603	3.5
132.05743	1.4
133.02863	3.8
133.06494	2.2
135.04430	100.0
136.05165	1.5
137.05989	3.7
141.06964	1.6
143.04939	7.1
144.05727	2.3
145.06500	19.4
146.07278	7.4
147.04414	5.4
147.08052	3.6
149.02368	9.6
149.05974	4.5
151.03935	8.6
151.07550	19.6
155.40588	1.5
157.06555	11.1
158.07281	4.3
159.04436	5.5
159.08061	7.1
160.05225	2.0
160.08858	19.8
161.06001	10.9
162.06818	1.7
163.03969	2.5
165.01851	3.8
165.05481	3.7
165.06897	2.7
167.03403	1.5
169.06506	1.7
172.05212	2.0
172.08817	4.4
172.85327	1.5
173.06006	20.4
174.06778	3.8
175.03925	11.8
175.07510	9.0
176.08347	11.4
177.09131	13.9
178.02565	1.8
179.07091	2.6
179.08568	2.7
181.06522	4.2
182.07263	5.0
185.05989	11.3
186.06789	1.6
187.07570	12.9
188.08366	10.4
189.07411	1.9
189.09128	50.6
190.09592	1.5
191.03424	8.0
191.06953	2.4
191.08817	2.6
191.10672	26.6
195.08109	5.9
196.08859	3.1
197.06030	2.2
198.06744	2.3
199.07561	4.3
201.09126	8.7
202.07938	2.0
202.09866	4.6
203.07007	5.3
203.08754	2.8
203.10654	12.8
205.06541	3.6
205.08490	2.5
206.07220	2.4
207.08095	8.1
208.08827	6.8
209.06006	3.9
209.09738	1.7
211.07420	1.6
212.08376	2.9
213.09160	10.2
214.09866	4.8
215.07082	3.1
215.10631	2.2
217.08623	5.7
218.07344	1.9
219.08034	9.7
219.10178	32.1
220.08778	3.5
221.06142	2.7
221.09590	2.3
223.07547	3.5
224.08371	4.1
225.05515	2.8
225.09113	2.5
226.35796	1.6
227.10669	3.0
229.08633	1.9
231.08087	4.6
231.10194	2.5
232.08797	2.8
233.05963	2.9
234.06648	1.9
235.07581	12.1
236.08255	5.4
237.05409	1.8
237.09174	3.6
238.09918	3.1
239.10645	16.1
241.08675	2.4
245.05815	2.2
246.06857	1.5
247.07571	11.0
248.08427	8.9
249.05318	1.9
249.09137	7.4
250.06290	2.2
250.09816	2.6
251.07036	3.6
251.10732	12.2
252.07768	2.1
253.04945	2.1
253.06050	1.7
253.08533	12.0
257.04465	1.5
259.07614	3.6
259.93771	1.5
260.08392	2.7
261.09088	3.9
262.09860	3.3
263.07104	10.8
263.10471	8.3
264.07831	3.9
264.11392	2.6
265.08630	11.4
265.12378	1.7
267.10196	16.5
271.09720	1.4
275.07111	7.3
275.10181	1.7
276.07935	4.5
277.08655	10.2
278.09283	3.3
279.07098	2.0
279.10165	41.2
280.10864	3.6
281.08127	3.7
281.11447	2.4
283.09756	2.0
289.08554	5.1
290.09338	12.6
291.06857	2.3
291.10046	13.7
292.07471	1.8
292.10739	3.1
293.08084	10.4
293.11536	3.4
294.08716	1.5
295.09650	6.3
302.09531	1.5
305.08136	6.1
306.08856	9.0
307.09686	38.7
308.10370	8.3
309.11169	10.5
319.09631	10.0
320.10431	4.0
321.07675	1.9
321.11224	28.1
322.11899	1.8
323.09094	5.5
325.10748	4.1
335.09198	5.1
337.10751	29.6
338.11450	6.3
339.12442	3.4
349.10797	8.1
350.11322	4.8
351.12314	18.3
353.10138	4.0
367.11838	4.9
368.12744	8.4
369.12939	1.9
411.12369	1.8
429.13434	4.5
443.10886	2.0
469.12772	3.6
475.13559	1.9
497.16287	1.8
529.17963	2.1
569.16296	2.2
583.16901	3.5
589.17181	2.3
599.16956	11.6
601.18066	2.7
603.19812	6.4
603.28552	1.5
613.18665	27.0
615.20239	2.1
619.19324	5.1
631.19678	54.0
632.19904	2.3
633.21191	2.4
643.19531	3.3
649.20599	7.6
661.20703	15.9
679.21838	29.7
691.21606	4.2
709.22644	4.6
727.23206	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	727.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.2
61.99425	1.2
65.03941	2.1
67.05502	1.6
68.99731	1.5
69.76024	7.0
72.08142	1.4
79.05499	4.8
81.03434	2.8
81.07070	1.8
91.05487	4.0
93.03423	1.6
93.07043	1.8
95.04967	2.8
103.05455	7.1
103.65156	1.3
105.03383	2.0
105.07031	4.1
107.04960	4.0
109.02863	3.2
115.05434	8.6
116.06283	2.3
117.07072	6.5
119.04974	2.5
121.06503	3.3
123.04415	5.1
123.14202	1.3
128.06216	6.5
129.06999	13.6
131.04916	11.5
131.08574	1.3
132.05731	2.4
133.02861	3.5
133.06470	3.2
135.04422	100.0
137.05969	2.6
139.03922	1.8
143.04933	5.6
143.08546	1.5
144.05742	3.0
145.06493	27.0
145.07646	1.4
146.07263	8.1
147.04402	4.0
147.08134	1.6
149.02359	9.8
149.06017	2.1
151.03938	6.2
151.07547	16.9
155.06044	2.3
157.06502	13.1
158.07310	4.2
159.04471	5.3
159.08057	14.6
160.05070	1.8
160.08849	11.7
161.05971	10.2
162.06752	3.6
163.03995	5.9
165.01833	6.0
165.05516	2.3
165.07007	2.9
169.06479	1.5
171.08067	1.9
172.08804	4.3
173.05988	20.7
174.06723	5.0
175.03938	11.0
175.07576	9.1
176.08366	11.1
177.05481	2.0
177.09087	13.4
178.07816	2.2
179.07169	2.5
179.08556	2.4
181.06422	2.6
182.07295	6.2
185.06030	11.2
186.06700	1.9
187.07556	16.1
188.08336	11.3
189.09128	83.5
190.07855	1.3
190.09821	2.8
191.03436	8.6
191.07051	2.0
191.08797	2.1
191.10652	17.2
192.04225	3.0
192.07857	2.2
193.04987	6.0
193.06555	2.8
195.08086	5.0
196.08861	2.6
197.06026	2.9
199.07600	3.2
201.09123	13.8
202.07895	2.1
202.09857	5.5
203.06967	8.5
203.10654	16.4
205.06471	3.8
205.08546	2.1
206.07233	1.6
207.08104	7.7
208.08826	4.5
209.06055	2.5
211.07561	2.7
212.08340	3.1
213.09108	11.2
214.09850	4.3
215.07024	3.2
215.10684	1.5
217.08586	4.0
218.07341	2.6
219.08066	11.9
219.10194	25.1
220.08803	4.1
221.05998	2.4
221.09601	3.4
222.06783	1.9
222.10442	1.7
223.07536	3.9
224.08372	4.9
225.05510	2.7
225.09096	3.6
227.10568	2.5
229.08694	2.9
229.12067	1.6
231.08069	4.8
231.10193	4.6
232.08809	1.9
233.05981	2.8
234.06700	1.7
234.10449	2.0
235.07591	11.5
235.11151	1.5
236.08340	5.7
237.05412	2.0
237.09074	3.4
238.09842	1.5
239.10677	13.8
241.08554	2.3
247.07573	9.9
248.08350	8.3
249.09137	5.7
250.09868	3.1
251.07082	2.2
251.10736	10.1
252.07938	1.7
253.04962	2.0
253.08644	9.4
255.10146	3.9
257.11734	1.7
259.07614	2.9
260.08273	3.2
261.05606	1.5
261.09033	4.0
262.09937	5.3
263.07159	7.4
263.10712	10.4
264.07806	5.0
265.06079	1.7
265.08591	10.9
267.07330	2.1
267.10168	14.8
275.07062	7.2
276.07822	4.5
277.08707	8.7
278.09393	5.1
279.06958	2.0
279.10159	36.4
280.10864	4.3
281.08130	4.2
281.11676	2.8
283.09796	1.5
285.11334	1.6
289.08612	5.9
290.09430	11.3
291.06601	3.9
291.10150	13.5
292.07388	2.6
292.10767	2.2
293.08084	9.5
293.11694	4.1
294.08777	2.7
295.09622	5.4
302.09097	1.6
303.06842	1.4
303.10172	2.2
305.08038	8.5
306.08713	4.2
307.09634	31.0
308.10449	7.4
309.11234	10.8
310.12009	1.3
319.09619	8.8
320.10413	5.7
321.07806	1.8
321.11209	28.9
323.09131	5.7
323.12643	1.7
325.10669	4.4
333.11176	2.8
335.09140	3.8
337.10760	32.5
338.11575	6.6
339.12234	4.9
341.10297	2.3
349.10678	7.1
350.11411	5.6
351.12289	18.6
353.10147	4.1
355.11676	1.9
367.11890	6.3
368.12634	14.7
369.13477	12.2
378.46527	1.3
395.48758	1.3
411.12305	2.1
429.13400	3.7
443.11371	1.9
459.14664	1.6
469.12665	5.1
509.15790	1.9
527.17133	2.1
536.25073	1.4
539.16431	1.6
569.15991	2.1
583.18005	2.2
599.16937	9.4
600.17389	1.9
601.18298	2.9
603.20514	8.3
613.18549	26.7
615.20203	2.2
617.21191	1.6
619.19812	2.7
631.19659	51.6
632.19781	2.7
633.20691	3.1
643.19434	3.9
649.20813	8.3
661.20630	15.7
679.21783	26.2
680.22015	2.2
691.21234	5.3
709.22833	9.0
727.22650	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.8
53.03948	1.0
55.01869	4.5
55.05483	0.4
63.51777	0.3
63.56204	0.3
65.03941	0.8
66.95019	0.3
67.05514	0.7
68.99815	0.4
69.03436	0.6
69.94569	0.6
69.94965	1.1
71.04974	0.4
72.08169	0.4
77.03907	0.9
79.01836	0.5
79.05492	2.8
81.03413	2.5
83.04973	0.5
85.02924	0.5
91.05480	2.5
93.03410	0.8
95.04986	1.7
97.02894	1.3
99.43792	0.4
102.04709	0.4
103.05476	2.5
105.03400	1.3
105.04487	0.5
105.07041	1.6
107.01330	0.4
107.04960	2.1
108.05754	0.5
108.63224	0.4
109.02878	1.6
111.04436	1.0
113.02395	0.3
115.05450	5.4
116.06209	0.8
117.07011	3.5
119.04934	1.1
121.02872	1.3
121.06511	1.3
122.03711	0.3
123.04425	4.0
125.02371	0.8
127.05386	0.4
128.06218	3.8
129.07007	6.9
130.04146	0.4
130.07780	0.3
131.04926	5.7
131.08534	1.2
132.05719	0.8
133.02858	1.2
133.06482	1.2
134.03668	0.4
135.04417	54.3
136.05191	0.7
137.02350	3.1
137.05952	1.1
138.06795	0.5
139.03922	0.6
139.05469	0.5
141.07002	1.5
142.07788	0.5
143.04924	3.5
143.08551	1.0
144.05699	1.1
145.06485	21.6
146.07274	4.4
147.04407	2.7
147.07991	0.5
149.02344	3.6
149.05986	1.5
151.03883	2.3
151.07549	15.7
153.01836	0.6
153.06979	0.8
155.03323	0.5
155.04948	0.7
155.06050	1.0
155.08478	0.4
156.05627	0.9
157.06485	10.5
158.07285	5.5
158.60309	0.3
159.04420	3.1
159.08060	5.0
160.05257	2.4
160.08842	1.3
161.05977	6.0
161.09564	0.5
162.06787	2.9
163.03914	3.6
163.07516	0.6
165.01830	2.4
165.05478	2.0
165.06972	1.6
165.09180	0.4
166.07732	0.3
167.04825	0.3
167.08511	0.7
168.05721	0.5
169.06409	1.7
170.07411	0.4
171.04440	0.6
171.08028	3.3
172.05234	0.8
172.08830	8.5
173.05988	16.4
173.09500	0.8
174.06778	6.1
175.03932	2.2
175.07542	5.6
176.04660	1.5
176.08307	3.5
177.05437	1.4
177.09105	8.1
178.07730	0.8
179.03389	1.0
179.05025	0.3
179.07013	2.0
179.08549	1.1
181.06448	2.7
182.07289	1.5
183.08038	1.5
184.07440	0.4
184.08850	1.1
185.04445	0.7
185.05988	8.5
185.09555	0.6
185.19478	0.4
186.06757	1.4
187.07549	8.5
188.08325	11.7
189.09105	100.0
190.06128	0.4
190.07755	0.5
190.09506	1.3
191.03355	1.0
191.07048	0.8
191.08578	1.3
191.10670	2.4
192.04257	0.4
193.04936	1.9
193.06444	0.5
193.10095	0.4
194.07236	0.8
195.06503	0.4
195.08012	2.4
196.08868	2.4
197.05988	2.2
197.09639	0.7
198.06779	1.2
199.07513	2.3
200.08331	2.7
201.05447	1.4
201.09105	24.5
202.07820	0.8
202.09875	3.6
203.06987	5.1
203.08653	2.1
203.10652	23.8
204.07613	0.4
205.06441	1.0
205.08546	1.0
206.07297	1.2
207.08037	2.1
208.08885	1.9
209.04428	1.2
209.06149	1.8
209.09612	0.7
210.06810	0.7
210.10411	0.5
211.07541	2.3
212.08383	1.7
213.05507	0.8
213.09079	5.8
214.09923	0.9
215.07059	2.9
215.10632	6.5
216.07799	1.6
217.06633	0.8
217.08572	2.2
218.07188	1.0
218.09232	0.5
219.08023	4.2
219.10168	2.6
220.08780	0.7
221.05965	0.6
221.09592	1.1
221.11697	0.8
222.06821	0.5
222.10376	1.1
223.07501	1.9
224.08319	1.9
225.05508	2.5
225.09053	3.3
226.06149	0.5
226.09816	1.2
227.06984	1.0
227.10626	2.6
229.04901	1.0
229.08498	1.8
229.12144	0.7
231.08092	2.1
231.10150	23.9
232.08807	1.5
233.05962	1.1
233.07828	0.8
233.09647	1.0
233.11751	1.3
234.06772	0.8
234.10391	0.8
235.07545	3.3
236.08289	0.9
237.05479	1.1
237.09201	1.9
238.06236	1.3
238.09787	1.7
239.06950	1.2
239.10692	3.9
240.07710	0.9
241.08537	4.2
241.12300	0.9
242.09363	0.8
243.10109	0.7
247.07495	3.8
247.09711	1.3
248.08299	1.6
249.05638	0.4
249.06578	0.4
249.09015	2.6
249.11246	3.9
249.37755	0.4
250.06235	0.5
250.09901	1.2
251.07001	1.7
251.10652	1.6
252.07608	0.4
252.11546	0.7
253.04968	2.8
253.08609	2.1
253.12222	1.3
254.05589	0.6
254.09357	2.0
255.06442	1.0
255.10220	3.5
257.11710	1.1
259.07736	1.7
260.08218	0.7
261.09058	1.9
262.06171	0.9
262.09863	1.5
263.07083	2.3
263.10629	2.2
264.07813	1.1
264.11392	0.6
265.08603	2.7
265.12134	1.1
265.77203	0.4
266.05676	0.5
266.09396	0.7
267.06519	1.3
267.10110	2.9
269.08163	1.7
269.11734	1.1
271.09668	1.2
275.06976	3.0
275.10071	0.7
276.07861	1.2
277.08572	4.1
278.06137	0.6
278.09357	1.9
279.06744	0.7
279.10178	2.4
280.10916	1.0
281.08054	1.6
281.11661	1.2
283.06241	0.7
283.09589	1.2
285.11285	0.7
287.06625	0.5
287.09387	0.5
288.07794	0.5
289.08600	3.2
290.09332	1.4
291.06583	1.6
291.10153	3.9
292.07547	0.5
292.10822	1.1
293.08026	5.6
293.11636	2.0
294.08755	1.0
295.06766	0.4
295.09851	2.9
297.11310	0.8
302.09540	0.5
303.06592	0.7
303.10074	1.4
304.07162	0.8
305.08151	4.5
306.08853	1.2
307.09555	3.5
308.10269	1.0
309.07907	0.6
309.11121	2.7
310.12006	1.0
311.09311	0.7
311.12619	0.5
313.10776	1.8
317.08130	0.4
318.08823	0.6
319.09558	2.3
320.10318	1.7
321.07535	1.2
321.11172	4.1
323.09241	2.0
323.12506	0.7
325.10751	2.2
333.07556	0.4
333.11227	1.4
335.08981	1.0
337.10736	3.6
338.11517	1.8
339.12387	3.1
349.10574	0.8
350.11499	0.5
351.08377	0.6
351.12192	1.2
353.10172	1.9
355.11691	1.6
357.13266	1.1
367.11874	2.6
368.12518	0.8
369.13760	1.7
371.09109	0.4
379.11566	0.4
381.10522	0.4
383.08682	0.5
385.12012	0.4
386.13300	0.7
427.11768	0.8
431.11267	0.7
439.11420	0.5
443.10748	0.5
445.12860	0.9
455.10858	1.1
457.12576	0.8
459.10587	1.5
461.12863	0.6
462.08887	0.4
469.12357	0.5
471.12878	0.4
473.11810	0.5
475.14255	0.5
485.12177	2.2
493.16141	0.5
503.13480	2.7
505.14590	0.8
511.16873	0.4
515.13129	0.6
533.14124	1.0
557.17841	0.7
572.16888	0.4
585.18634	1.0
601.17981	0.5
603.19751	0.8
613.18237	1.2
615.19983	2.2
625.17596	0.5
631.19763	2.8
633.21039	2.4
643.19556	3.0
649.20410	1.5
651.22693	0.4
661.20740	6.5
663.21838	0.7
673.20068	0.9
679.21686	5.1
691.22070	3.3
697.21985	1.1
709.22870	6.9
727.23834	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	727.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	0.4
51.48491	0.2
53.03949	1.0
55.01873	4.0
57.29474	0.3
65.03947	0.7
67.05504	0.7
68.99796	0.7
69.03425	0.6
69.78521	0.4
69.78923	1.0
77.03511	0.2
77.03938	0.7
79.01842	0.2
79.05492	2.2
81.03416	2.0
83.04995	0.5
85.02925	0.4
88.03614	0.2
91.05479	2.1
93.03422	0.7
95.01311	0.3
95.04972	1.1
96.52618	0.2
97.02894	1.0
102.04739	0.2
103.05479	2.1
105.03420	1.3
105.04533	0.3
105.07045	0.8
107.04951	2.3
109.02900	1.5
109.06512	0.3
111.04424	1.3
113.02367	0.3
115.05448	4.2
116.06239	1.0
117.07021	2.6
118.04152	0.3
119.04951	1.1
121.02863	0.9
121.06516	1.0
121.62067	0.2
122.03639	0.3
123.04428	3.0
124.86337	0.3
125.02335	0.6
128.06235	3.5
129.07014	6.2
130.04193	0.4
130.07793	0.4
131.04939	4.8
131.08565	0.5
132.05716	0.6
133.02856	0.9
133.06493	1.0
135.04420	48.9
136.05261	0.6
137.02356	2.1
137.05960	0.9
138.03114	0.3
138.06781	0.7
139.03899	0.9
139.05424	0.5
141.06982	0.9
143.04930	2.5
143.08591	0.5
144.05682	1.1
145.06485	18.4
146.07286	4.4
147.04408	2.2
147.08063	0.3
149.02362	3.5
149.05939	1.5
151.03900	1.8
151.07550	10.8
152.06158	0.6
153.01891	0.4
153.06967	0.6
155.03404	0.5
155.04884	0.7
155.06055	0.8
155.08580	0.4
156.05717	0.9
157.06509	8.1
158.07275	4.7
159.04387	2.6
159.08061	4.4
160.05183	1.3
160.08835	0.9
161.02405	0.3
161.05980	4.0
162.06744	2.1
163.03926	3.1
163.07582	0.4
165.01836	1.1
165.05508	1.0
165.07013	1.2
165.09135	0.5
167.08578	0.3
168.05675	0.3
169.06483	1.0
170.07240	0.6
171.04373	0.9
171.08034	2.0
172.05182	0.7
172.08841	6.7
172.87952	0.2
173.05986	12.7
173.09598	0.5
174.06779	4.2
175.03920	1.6
175.07555	4.0
176.04704	1.0
176.06105	0.3
176.08339	2.4
177.05424	0.7
177.06841	0.3
177.09100	5.6
178.07774	0.3
179.03427	0.8
179.07047	1.4
179.08586	0.9
181.04996	0.4
181.06480	1.7
182.07283	1.5
183.04459	0.3
183.08000	1.3
184.08841	0.7
185.05980	6.5
186.06738	1.2
187.03979	0.4
187.07549	6.4
188.08325	8.4
189.09108	100.0
190.07843	0.4
190.09515	1.6
191.03441	1.1
191.07097	0.5
191.08546	1.0
191.10661	1.8
192.04193	0.5
193.04932	1.3
193.06462	0.4
194.07257	0.4
195.08063	2.3
196.08830	2.2
197.06001	1.4
197.09608	0.7
198.06718	0.8
198.10449	0.5
199.03841	0.4
199.07625	1.3
200.08359	1.5
201.05507	1.2
201.09106	18.8
202.07892	0.5
202.09845	1.8
203.07018	3.6
203.08661	1.5
203.10654	19.6
205.06496	0.8
205.08545	0.8
205.12262	0.4
206.07266	0.5
207.08008	1.5
208.08801	1.2
209.04433	1.0
209.06018	1.0
209.09610	0.7
210.10320	0.4
211.07484	2.0
212.08286	1.5
213.05449	0.8
213.09076	4.0
214.06407	0.3
214.09857	0.6
215.07010	2.4
215.10658	4.3
216.07799	0.9
217.06641	0.3
217.08459	1.7
218.07225	1.0
219.08011	3.2
219.10185	2.1
220.08899	0.6
221.05942	0.5
221.09575	0.8
221.11581	0.4
222.06772	0.3
222.10420	0.6
223.07565	1.5
224.08316	2.0
225.05489	1.4
225.09109	2.4
226.09898	1.3
227.07005	0.7
227.10670	2.7
229.04948	1.7
229.08617	1.4
229.12181	0.5
230.09398	0.4
231.08107	1.5
231.10153	18.3
232.08766	0.7
233.05878	0.6
233.08057	1.0
233.09654	0.8
233.11792	0.9
234.06757	0.4
234.10368	0.7
235.07553	2.7
236.08311	0.8
237.05443	1.0
237.09032	1.2
238.06195	0.6
238.09843	1.2
239.07004	0.8
239.10637	3.4
240.07790	0.3
240.11488	0.6
241.08546	2.1
241.12227	0.6
243.10170	0.8
246.06746	0.3
247.07553	2.7
247.09787	0.5
248.08253	1.4
249.05426	0.3
249.09224	1.9
249.11198	2.1
250.09825	1.4
251.07021	1.1
251.10690	1.7
252.07669	0.3
252.11415	0.3
253.04910	1.6
253.08589	1.7
253.12239	1.0
254.05742	0.4
254.09312	1.9
255.06514	1.0
255.10194	2.7
257.11844	1.3
259.07584	1.2
260.08249	0.6
261.09128	1.8
262.06335	0.5
262.09848	1.1
263.07181	2.0
263.10580	2.5
264.07776	0.8
264.11374	0.5
265.08676	1.8
265.11993	1.1
266.09445	0.6
267.06613	0.5
267.10120	2.4
269.08389	1.1
269.11710	1.0
271.09647	0.6
275.06979	2.6
275.10321	0.6
276.07751	0.7
277.08572	3.4
278.09406	1.7
279.06473	1.1
279.10132	1.9
280.10901	0.8
281.08450	1.4
281.11258	1.4
282.08749	0.3
283.06021	0.7
283.09601	0.8
283.12970	0.3
285.11224	0.3
287.09375	0.4
288.07803	0.3
289.08630	2.0
290.09286	1.0
291.06546	1.2
291.10123	3.7
292.07709	0.3
292.10822	1.1
293.08029	3.2
293.11688	1.3
294.08875	0.6
294.12097	0.3
295.09549	2.0
297.11246	0.4
303.06854	0.3
303.10092	1.1
304.07230	0.3
305.08130	3.2
306.08737	1.3
307.09601	2.5
308.10440	0.9
309.08041	0.4
309.11230	2.2
310.11963	0.6
311.09158	0.4
311.12659	0.6
313.10629	0.9
317.08063	0.5
319.09708	2.0
320.10413	1.4
321.07596	0.7
321.11169	3.4
322.11890	0.3
323.09085	1.7
323.12585	0.4
325.10822	1.6
327.12396	0.3
331.09497	0.3
333.11032	1.1
335.09058	0.9
336.09711	0.5
337.10736	3.0
338.11530	1.7
339.08734	0.5
339.12286	1.9
341.10327	0.7
343.09402	0.4
345.07666	0.3
347.09143	0.3
349.10651	1.0
350.11334	0.9
351.12698	1.3
353.10330	1.5
355.11856	1.1
356.12265	0.3
357.13260	0.7
359.09009	0.3
367.11856	2.0
368.12469	0.7
369.09293	0.5
369.10336	0.3
369.13293	1.4
379.11664	0.3
385.12347	0.3
386.13666	1.2
395.11044	0.3
401.10089	0.5
413.09598	0.4
427.11557	0.6
429.13519	0.4
431.10803	0.4
439.11417	0.4
441.13474	0.4
443.10944	0.6
445.12415	0.7
451.11786	0.3
455.11218	0.7
457.12750	0.5
459.09686	0.4
459.15051	0.4
461.12006	0.4
467.10672	0.4
473.12509	0.5
474.12741	0.4
475.13766	0.6
479.14969	0.5
485.12210	1.2
487.14136	0.3
497.15414	0.5
503.13464	2.7
505.14377	0.4
515.13440	0.4
533.13953	0.9
539.17242	0.4
545.17151	0.3
557.17889	0.6
583.16797	0.3
585.19098	0.4
601.17926	0.7
603.20050	1.1
605.21466	0.3
613.18280	1.0
615.19611	1.0
625.18585	0.3
631.19757	1.3
633.21490	1.7
643.19708	1.9
649.19928	1.0
661.20831	4.3
663.21484	0.3
673.20715	0.5
679.21893	3.9
691.21863	2.1
697.22308	0.7
709.22772	7.8
710.23450	0.4
727.23755	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	726.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01876	6.2
55.05268	1.8
55.05515	19.1
57.03188	1.6
57.03442	14.2
57.07075	1.6
59.04985	1.4
61.02677	1.2
61.02931	10.4
65.03965	1.5
65.60674	1.1
67.05508	58.6
69.03423	7.1
69.07072	20.2
70.06588	8.1
71.04986	4.7
73.02916	5.7
79.05499	40.2
81.02991	1.8
81.03426	22.8
81.07059	56.3
82.03751	1.3
83.04984	11.7
83.08625	14.4
84.08158	1.7
85.02913	18.4
85.06538	4.5
86.09713	2.9
91.03970	9.5
91.05482	33.3
92.05791	1.3
93.07050	46.5
94.96873	1.2
95.04978	11.0
95.08607	22.5
97.02913	11.0
97.06543	18.0
97.10176	9.0
99.04445	2.1
99.08108	3.7
105.07047	26.4
107.04974	8.4
107.08600	33.0
109.02896	1.8
109.06543	6.4
109.10165	19.9
111.04424	2.6
111.08088	7.6
111.08942	1.2
113.06009	2.2
115.05505	1.5
116.07106	9.2
117.07020	14.3
119.08592	24.4
121.06503	5.0
121.10137	17.6
123.04420	1.9
123.08064	3.3
123.11697	2.2
124.44724	1.2
125.05947	1.1
125.09617	8.2
127.03905	7.4
127.07566	1.4
129.05486	1.8
129.07007	5.0
131.04938	1.9
131.08578	16.9
132.08888	1.2
133.06526	3.0
133.10136	23.1
135.08052	3.9
135.11714	17.7
137.05971	2.6
137.09596	3.7
142.07834	1.6
143.08556	3.0
145.04959	2.9
145.06488	2.1
145.10139	13.6
147.07990	1.3
147.11719	10.7
149.09662	10.0
149.13268	14.1
151.07533	1.8
151.11188	2.0
155.08641	1.4
155.10649	1.4
157.10126	5.2
159.11696	22.2
161.09622	2.7
161.13272	4.2
163.06015	3.2
163.11162	7.7
165.09076	1.7
165.12846	1.5
171.10262	1.4
171.11688	3.0
173.04468	3.0
173.09610	1.7
173.11722	4.2
173.13261	4.7
175.11197	3.7
175.94435	1.1
177.12762	23.0
179.14331	6.7
181.12283	2.2
183.11632	2.1
185.13246	2.2
187.11177	1.6
189.11209	2.6
193.12241	7.0
194.12692	1.5
195.13843	6.6
197.13347	3.0
199.13182	1.1
209.11722	1.9
211.13297	5.1
213.14594	1.3
219.13783	1.7
227.12778	4.0
229.14365	17.7
229.19441	1.5
239.17984	2.0
245.13785	2.0
251.16467	5.4
255.15918	35.7
257.19061	7.1
267.15924	10.6
268.16220	2.9
269.17493	100.0
275.20111	19.4
278.90408	1.3
283.15494	1.6
285.16959	4.7
293.20895	1.6
301.16525	2.3
307.39316	1.2
331.22858	1.7
349.23752	60.2
367.24850	19.9
413.21545	4.8
421.25708	3.0
431.22891	1.8
439.26721	3.8
447.27042	2.1
459.27252	1.8
460.27884	1.4
461.28229	5.4
475.27115	1.8
479.29404	4.6
493.27850	3.5
511.28952	10.7
529.29834	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	726.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.01879	8.3
55.05516	21.1
57.03443	19.1
59.05008	1.5
61.02935	10.4
65.03946	2.4
66.67475	1.2
67.05510	57.8
69.03435	7.6
69.06739	1.9
69.07076	21.3
69.89025	5.4
70.06594	12.1
71.01357	2.2
71.04988	6.1
73.02908	4.9
79.05498	38.9
80.05791	1.3
81.03423	19.8
81.07063	64.4
83.04987	12.5
83.08630	15.0
85.02909	17.5
85.06556	3.3
91.03961	10.0
91.05489	33.7
93.07050	45.5
95.04978	9.7
95.06099	1.6
95.08056	2.1
95.08619	25.7
95.09185	2.8
97.02918	11.9
97.06538	17.6
97.10173	7.4
99.04441	2.9
99.08121	3.2
103.03947	2.2
105.04539	1.4
105.07037	24.1
107.04980	7.4
107.08607	29.4
109.02876	4.4
109.06541	7.0
109.10156	14.9
111.08112	9.2
115.05473	2.5
116.07102	19.5
117.07024	12.8
119.08600	19.8
121.06530	6.6
121.10147	16.8
123.08090	3.9
123.11722	4.9
124.06188	1.2
125.09637	7.4
127.03907	7.3
129.05432	1.3
129.06996	5.8
131.04936	3.0
131.08563	18.2
133.06520	2.3
133.10158	18.5
135.08052	5.8
135.11705	21.9
137.05956	4.1
137.09616	3.5
139.11195	1.7
141.06982	1.6
143.08569	4.1
145.04968	3.7
145.06491	2.5
145.10138	14.3
147.08037	1.8
147.11684	11.3
149.09615	9.7
149.13245	15.7
151.11212	2.5
155.08531	2.7
155.10655	1.8
157.10123	5.9
159.08049	2.3
159.11696	20.7
161.06050	1.6
161.13304	4.0
163.06001	4.1
163.11218	8.5
165.09224	1.6
165.12822	2.8
171.11711	4.1
173.04527	2.0
173.11832	2.9
173.13272	5.0
175.11211	2.6
175.14877	1.9
177.12769	20.4
179.14342	8.1
181.12196	2.5
183.11690	3.3
187.07437	1.5
189.11307	3.1
189.12810	1.4
193.12230	4.8
195.13776	6.2
197.13210	2.4
205.12236	1.6
208.92601	1.3
209.11749	1.3
211.06914	1.3
211.13297	4.3
227.12804	3.5
229.14369	10.6
239.18030	3.0
245.13806	1.7
251.16426	4.3
255.15915	37.9
257.19049	5.7
267.15961	7.7
269.17502	100.0
270.04590	1.4
275.20071	17.1
283.15570	2.0
285.16949	3.9
293.21133	1.9
349.23755	60.3
350.24063	2.3
367.24832	25.7
375.44412	1.4
389.18121	1.3
401.23416	1.3
413.21536	4.6
421.25955	1.8
431.22702	2.4
439.26620	3.8
475.27118	1.9
493.27899	3.6
497.57846	1.4
511.29041	11.4
529.30011	2.7
529.51031	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
51.49022	0.2
53.03918	1.0
55.01842	0.6
55.05523	1.7
56.04993	0.6
57.03423	0.3
58.06564	0.5
59.11424	0.2
59.81757	0.2
61.02893	1.0
65.03941	1.4
67.05509	7.9
68.99777	0.6
69.03396	0.9
69.07051	0.2
69.23946	2.3
70.06565	0.5
71.07381	2.1
72.08160	8.3
79.05495	21.9
80.06219	0.3
81.03388	0.9
81.07063	3.1
83.04970	0.3
85.02863	1.1
91.03904	0.3
91.05486	8.8
93.07053	2.6
93.07579	0.5
95.04472	0.2
95.04984	2.6
95.08584	0.4
96.04450	0.7
96.05691	0.2
97.02863	0.3
97.06497	0.4
97.90067	0.2
98.06032	0.4
98.20773	0.4
103.05426	0.8
105.03394	0.3
105.04530	0.3
105.07040	9.6
106.07827	0.4
107.04963	2.6
107.08604	11.9
109.06480	0.8
111.00832	0.4
111.06796	0.3
115.05415	0.9
117.07020	3.3
119.04951	0.3
119.06041	0.3
119.08593	2.1
119.88005	0.2
121.10160	0.3
124.07604	0.6
127.03903	0.2
128.06194	0.3
129.06964	0.8
130.07765	0.4
131.04921	0.5
131.08575	2.6
133.06499	1.4
133.10129	1.7
135.08028	1.4
137.02327	0.4
139.09935	2.6
142.07823	0.3
143.08545	0.3
145.06456	1.0
145.10133	2.4
147.04350	0.3
147.08080	1.2
147.11713	2.0
149.13245	0.4
152.10632	0.2
153.01839	7.3
153.06953	0.3
155.08528	0.3
157.06430	0.3
157.10077	0.6
158.07195	0.3
161.05931	0.7
165.01884	1.4
165.09122	0.3
171.02881	0.3
173.05980	0.4
173.09656	2.0
175.03857	0.6
175.11182	1.1
179.03419	0.5
181.06433	0.4
183.02888	0.2
183.04486	0.3
185.06024	0.6
187.03952	0.8
189.05452	0.7
197.05858	0.6
198.06813	0.4
199.07510	0.6
201.05476	1.4
203.03403	0.5
206.15405	0.4
207.06401	0.3
211.07478	0.3
213.05571	1.1
217.04959	3.0
225.05450	1.1
225.08958	0.3
227.03381	0.8
227.06935	0.5
229.04973	2.1
230.05424	0.3
239.07195	0.2
241.04912	0.9
243.06476	0.7
244.16933	1.6
245.02164	0.4
245.04466	4.2
246.18546	5.1
253.04977	0.8
255.06609	0.5
257.04401	2.3
263.07159	0.3
267.06586	0.6
269.04440	2.0
269.17416	0.3
270.05197	0.4
271.06012	0.7
273.03925	4.5
274.04550	0.4
279.06702	0.4
281.08044	0.3
283.06042	0.6
284.06696	0.3
285.03967	2.1
286.04544	0.6
287.05405	0.3
293.11713	0.4
295.06030	1.0
297.03873	1.0
297.07297	0.4
298.04535	0.4
299.05508	3.6
301.03418	7.4
301.06723	0.5
302.04187	1.0
303.04980	3.7
305.08160	0.3
311.05566	0.8
312.06079	1.3
313.03424	6.0
313.07022	2.2
314.04086	0.3
315.05222	0.4
321.07642	0.4
321.11304	0.3
323.05548	0.6
323.09195	0.5
325.03711	0.4
325.07117	1.5
327.05005	52.4
328.05426	0.9
329.06622	0.9
333.07416	0.4
337.07001	0.6
339.04926	0.8
339.08649	0.3
340.05820	5.7
341.06586	11.0
349.06924	0.5
349.10788	0.3
351.04932	0.3
351.08749	0.9
353.06540	3.6
355.08087	0.6
361.07004	0.6
365.10269	0.6
367.08121	0.9
369.06015	0.4
377.06699	0.4
379.08075	6.3
379.12698	0.4
381.09631	0.3
381.25940	0.3
407.11359	2.7
433.12964	0.3
457.12747	0.8
466.26440	0.2
475.13931	16.0
476.14240	0.4
493.14944	0.5
528.20435	0.4
529.18744	1.1
546.21271	100.0
547.21490	3.5
564.22290	9.3
565.22961	0.4
570.21179	0.3
588.22546	0.8
690.24951	0.4
708.26007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28388	0.4
53.03941	2.0
55.01868	1.1
55.05514	4.0
56.05027	0.6
58.06586	0.6
61.02919	1.4
65.03945	1.3
67.01850	0.5
67.05511	7.5
68.02641	0.5
68.99776	1.7
69.03429	2.5
69.07068	1.4
70.06583	1.2
70.10445	2.1
71.07384	3.4
72.07756	0.8
72.08163	18.8
79.05500	33.0
81.03434	2.9
81.07066	6.7
83.04984	0.6
85.02915	2.3
89.38628	0.4
91.03984	0.6
91.05491	17.7
93.07049	5.8
95.04983	4.5
95.08598	1.4
96.04482	1.1
97.02896	1.1
97.06509	0.6
98.06034	1.0
103.05483	1.4
105.04527	0.7
105.07042	17.5
107.04959	4.1
107.08605	21.8
109.02861	0.5
109.06540	1.3
111.00836	1.1
115.05474	1.9
117.07037	3.2
119.04946	1.7
119.08592	5.0
121.02854	0.8
121.06518	1.2
121.10131	0.6
123.04447	1.0
124.07608	1.0
127.03941	0.9
128.06194	0.5
129.07037	3.0
130.07700	0.4
131.04956	1.1
131.08574	2.6
133.06509	10.9
133.10156	4.2
135.04410	1.0
135.08061	0.9
135.56752	0.5
137.06004	1.7
139.03920	0.6
139.09947	6.5
140.10672	0.8
141.06949	0.6
142.07791	1.1
143.08554	0.8
145.02853	0.6
145.05011	0.6
145.06496	1.9
145.10185	2.3
147.04428	4.3
147.08041	2.7
147.11702	14.0
149.06032	0.6
149.09616	0.5
149.13248	2.8
151.03925	1.0
152.10693	0.5
153.01845	41.3
153.07042	1.3
155.08640	1.2
157.06496	0.7
157.10153	1.7
159.08087	0.9
161.05983	1.1
163.03880	1.1
165.01891	1.4
165.05418	0.6
165.07011	0.6
167.07083	1.7
169.06464	1.0
171.03055	0.6
171.04445	1.2
171.08073	0.9
173.05994	1.3
173.09653	1.7
175.03897	0.8
175.07614	0.9
175.11200	2.4
177.05495	2.4
179.03455	1.7
179.08553	1.3
181.01390	0.9
181.04990	1.4
181.06528	1.4
181.10098	0.8
183.08139	0.7
185.06015	0.6
187.03816	0.8
187.07642	1.0
189.05492	1.0
191.07025	0.9
195.02890	0.8
195.08080	0.5
197.06041	1.7
199.03822	0.5
199.07573	4.1
201.05492	6.6
203.03448	0.9
203.07098	1.1
207.02888	2.9
207.08119	1.1
209.05910	0.6
209.09639	1.2
211.07545	1.0
217.04942	3.6
221.04355	0.6
223.07658	0.6
225.05481	1.8
225.09064	1.1
227.07021	6.7
229.05011	1.8
233.09831	0.8
235.07603	1.1
237.05659	0.5
237.09106	1.5
239.06956	0.8
241.04999	0.7
243.06552	1.0
245.04506	1.3
246.18555	32.4
249.09267	0.6
251.07060	0.7
253.05028	2.2
253.08449	0.5
255.06581	1.0
255.10298	0.7
259.06174	0.6
259.11182	0.7
261.09167	0.7
263.06815	0.6
264.15259	0.5
264.19629	10.7
267.06619	0.5
269.04666	0.5
271.06229	0.8
273.03973	2.3
273.07626	1.4
275.10602	0.7
277.12238	0.8
279.06558	1.6
281.04559	0.7
281.08075	1.7
282.05219	0.7
283.06107	1.0
285.04312	0.9
285.07684	2.0
287.07086	0.7
295.05975	1.1
295.13550	0.5
297.03925	0.5
297.07672	1.1
299.05557	8.0
299.08823	0.5
301.03534	1.9
301.07077	1.6
303.04883	1.3
305.08310	0.7
305.11865	1.2
307.06204	0.9
307.09525	0.6
309.07602	1.0
311.05713	1.1
313.03467	1.6
313.07031	1.4
315.06097	0.5
321.11252	0.8
322.08517	0.6
323.05524	1.6
323.09238	2.6
323.12967	1.6
325.07111	2.4
327.05029	47.5
327.08112	1.9
328.05270	0.8
329.06561	2.1
331.09900	0.7
333.07724	1.5
335.09183	0.8
337.07047	1.5
337.10910	1.1
339.05057	0.7
339.08765	0.6
341.06540	3.0
349.07181	0.8
349.11020	0.9
351.08652	5.2
351.12378	0.8
353.06580	2.9
361.06897	2.1
361.11118	0.6
366.20709	0.7
376.19284	0.9
379.07999	7.5
385.13080	0.8
389.10236	1.7
394.20190	5.0
401.14084	0.7
407.11469	0.7
415.11615	0.7
419.15027	1.1
429.13464	2.1
447.14423	3.0
450.97656	0.6
457.12833	3.3
475.13937	12.4
518.21814	13.0
528.20239	4.7
536.22961	1.9
546.21301	100.0
547.21570	2.7
564.22327	10.2
708.26373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01846	0.6
55.05520	2.7
61.02926	1.2
65.03933	1.7
67.05509	14.5
68.38962	0.4
69.03445	1.1
69.07073	0.9
70.06590	0.8
70.65395	1.2
71.07393	0.6
72.08167	8.2
73.02224	0.5
79.05499	12.4
81.03425	4.5
81.07070	7.2
83.04985	0.4
85.02924	0.9
89.46905	0.4
91.03933	0.8
91.05489	11.5
92.96436	0.4
93.07046	5.4
95.04982	11.9
95.08621	1.4
97.02917	1.0
98.06127	0.7
103.05466	0.9
105.07043	28.2
107.04983	2.4
107.08608	7.9
109.06516	1.0
109.10207	0.5
109.55287	0.5
115.05429	0.9
116.06242	0.8
117.07028	8.0
118.07816	0.8
119.08588	8.1
121.02972	0.5
121.06507	0.5
121.10177	0.8
128.06245	0.7
129.07014	1.5
130.07799	1.9
131.04944	0.8
131.08583	5.9
133.06580	1.0
133.10158	1.4
137.02338	0.6
137.06082	0.5
139.09946	2.1
139.80019	0.4
143.08580	0.8
145.06509	1.8
145.10135	11.2
146.10941	2.7
146.96953	0.4
147.08066	0.9
147.11697	12.8
147.62029	0.4
149.13260	0.5
149.42735	0.5
153.01834	5.1
155.08560	0.7
159.08099	0.8
165.01848	0.7
173.09671	2.2
174.10452	1.2
175.11182	2.3
189.05342	0.6
201.05539	0.8
217.05052	3.0
229.05034	2.1
244.16986	2.7
245.04469	3.8
246.18552	9.0
257.04480	1.4
269.04410	1.4
271.06042	0.8
273.03952	4.4
285.04092	2.5
285.07193	0.6
299.05396	0.8
301.03510	8.8
302.04300	1.4
303.01486	0.8
303.04977	6.8
311.05444	1.2
313.03479	9.3
313.06998	1.1
326.04309	1.3
327.05096	2.2
327.08597	0.6
339.05011	11.0
341.06528	0.7
353.06479	0.9
365.06693	1.0
367.08255	1.8
379.08167	2.7
381.09915	0.9
389.06619	0.7
393.09760	0.9
395.07498	0.9
405.09592	0.6
407.07468	0.7
416.26184	0.5
447.14456	3.6
464.13837	0.6
475.13855	7.5
478.15143	0.7
546.21295	100.0
547.21558	3.8
564.22430	8.9
570.21411	0.6
579.58350	0.6
588.22351	0.8
654.22443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
53.03948	1.4
55.01864	0.5
55.05512	1.5
56.05014	0.4
57.03421	0.3
58.12216	0.2
58.33773	0.3
61.02893	1.0
65.03915	0.7
67.05510	4.6
68.99754	0.5
69.03430	0.5
69.77253	1.6
70.06567	0.7
71.07378	1.7
72.08158	6.6
72.54104	0.3
79.05502	17.0
81.03382	1.0
81.07070	3.7
83.04979	0.3
85.02870	1.1
91.03961	0.3
91.05489	10.1
93.07046	2.9
95.04455	0.3
95.04977	3.6
95.08592	0.6
96.04461	0.5
97.02853	0.6
97.06482	0.4
98.20773	0.6
103.05431	0.8
105.03363	0.5
105.04502	0.4
105.07041	8.9
105.78651	0.3
107.04953	2.4
107.08599	7.7
108.43299	0.3
109.06524	0.5
111.00797	0.4
115.05424	1.0
117.06361	0.3
117.07024	3.8
117.30021	0.3
119.04884	0.4
119.08590	2.3
121.06480	0.4
121.10056	0.3
124.07584	0.4
129.06981	1.1
130.07758	0.6
131.04881	0.6
131.08578	3.0
133.06517	1.4
133.10117	1.6
135.08020	0.9
137.02296	0.6
137.06023	0.3
139.03831	0.3
139.09953	1.6
142.07748	0.6
143.08549	0.4
145.06448	0.9
145.10147	4.4
147.04338	0.4
147.08028	1.1
147.11684	2.9
149.13356	0.4
153.00580	0.4
153.01839	7.1
155.08519	0.3
157.10118	0.6
159.07977	0.4
159.11714	0.4
161.06006	0.5
165.01799	1.3
171.04491	0.3
173.06032	0.4
173.09648	2.4
174.10324	0.4
175.03819	0.3
175.11136	1.1
179.03461	0.6
183.02896	0.4
185.06049	0.3
187.03926	0.7
189.05492	0.6
197.05943	0.8
198.06819	0.4
199.07544	0.3
201.05450	1.3
213.05472	0.6
217.04959	2.9
225.05476	1.1
227.03342	0.9
227.06938	0.4
228.04149	0.3
229.04941	2.4
229.10126	0.3
239.06920	0.6
241.04967	0.7
243.06549	0.6
244.16953	0.9
245.04488	3.9
246.18555	2.6
253.04900	0.5
255.06642	0.4
257.04507	2.1
267.06467	0.5
269.04382	1.7
270.05096	0.4
271.05997	0.7
273.03961	4.5
274.04636	0.4
277.08603	0.4
277.88586	0.3
281.04578	0.3
281.08112	0.4
283.05957	0.4
285.03979	3.3
286.04849	0.8
287.05563	0.5
295.05997	1.2
297.03915	1.0
297.07236	0.4
299.05560	4.0
301.03458	8.7
302.04208	1.3
303.04977	5.6
309.07538	0.3
311.05582	0.8
313.03439	8.0
313.07071	2.5
323.09116	0.6
325.07211	1.4
327.05023	58.8
328.05328	1.1
329.02902	0.4
329.06531	0.7
333.07635	0.4
337.07233	0.7
339.05048	0.9
340.05835	2.2
341.06586	8.7
351.04901	0.6
351.08783	1.1
353.06564	4.0
355.08176	1.3
361.07019	0.6
365.10281	0.7
367.08127	0.7
369.06119	0.4
379.08136	9.9
381.09668	0.9
391.08157	0.8
407.11374	2.8
433.12970	0.4
447.14386	0.6
457.12888	0.6
461.29086	0.4
475.13901	14.7
476.13962	0.4
493.14624	0.5
529.18750	1.2
546.21289	100.0
547.21680	3.2
564.22357	10.0
565.22766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01865	1.9
55.05516	0.7
65.03952	0.5
67.05497	1.8
69.07063	1.3
77.03918	0.5
79.05502	2.5
81.03436	4.0
81.07069	2.4
81.07460	0.4
83.04983	1.1
89.78125	0.4
91.05472	1.3
93.07039	2.3
95.04958	1.1
95.08593	1.4
97.06523	0.5
103.05466	1.5
105.03407	0.9
105.04577	0.5
105.07046	1.0
107.08604	1.6
109.10170	1.8
115.05444	4.8
117.07030	2.9
119.08597	0.6
121.10124	0.7
123.11735	0.6
128.06236	3.1
129.06046	0.6
129.07004	9.6
131.04932	2.7
131.08568	1.1
135.04420	100.0
135.11630	1.1
136.04791	1.3
137.05986	3.7
137.13243	0.5
141.07036	0.5
143.04926	4.5
145.06485	6.0
147.08072	0.4
149.02350	6.0
149.06032	0.9
151.03935	0.5
151.07536	5.6
155.06030	0.4
155.08595	0.7
156.05714	0.5
157.06502	12.0
159.04440	2.0
159.08076	0.6
161.05995	3.0
163.03877	0.6
163.07556	1.0
165.05476	1.3
165.06880	0.8
169.06509	0.7
172.05206	0.9
173.05992	32.8
175.07593	2.8
177.05531	0.5
177.09247	0.6
177.40282	0.4
183.08115	1.0
185.05997	11.0
185.07651	0.6
186.06795	3.4
186.14774	0.5
187.03970	0.5
187.07555	10.7
189.05669	0.5
189.09134	1.0
191.07080	0.5
197.06001	1.8
199.07565	1.4
201.09174	1.3
203.07047	16.2
203.10684	0.7
205.08545	0.9
211.07594	0.5
213.09140	0.6
215.07056	11.1
217.08617	1.6
219.10146	0.9
229.08588	0.7
231.10165	0.6
233.08078	8.4
239.10756	0.4
251.10660	0.5
258.45688	0.5
259.09579	0.6
263.10776	0.6
289.08533	0.9
301.00732	0.5
301.14352	1.2
307.09271	0.4
319.09567	0.5
321.11246	0.8
333.11279	1.2
337.10983	0.5
339.12549	0.6
340.69327	0.5
351.12125	0.9
351.19638	0.4
369.13367	3.7
369.20544	2.8
373.13620	0.6
396.52161	0.4
432.85617	0.4
491.24255	1.6
493.25977	0.5
544.80487	0.5
567.05231	0.5
707.32654	0.9
718.75189	0.4
725.32770	2.9
725.44696	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	725.217
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96305	1.4
56.96571	21.6
69.76070	2.5
69.76442	5.1
70.77340	1.2
84.96055	7.9
85.02943	1.2
93.45608	1.1
98.97592	99.5
110.96842	2.2
110.97578	29.6
112.99126	2.9
114.92764	1.0
116.97832	2.1
116.98636	36.5
124.99100	2.8
127.00671	2.4
128.98621	24.2
130.08607	1.4
131.00179	2.2
134.99669	6.8
140.98578	6.8
143.00195	14.7
144.98109	1.5
145.01729	1.2
145.85066	1.1
146.99666	9.3
152.98584	5.7
152.99672	2.1
158.99670	44.9
161.01253	10.6
163.03951	3.4
170.99663	35.7
171.03156	1.1
173.01201	1.6
177.00739	36.3
182.99664	23.2
189.00735	33.0
189.04372	5.1
201.00717	68.2
207.01804	6.8
207.05325	1.4
213.00764	4.5
219.01785	54.3
231.01746	6.5
235.10121	4.3
237.02856	24.6
242.03497	2.4
243.01796	28.4
245.05046	1.7
249.02853	1.7
253.11148	32.3
255.03888	4.3
258.74899	1.3
261.02847	100.0
262.03125	2.2
271.12186	23.7
273.02887	7.3
279.03934	54.0
279.09036	6.1
291.03897	11.6
295.12158	2.7
297.10110	33.1
300.04123	1.4
302.05499	2.3
315.11154	17.0
321.04950	38.6
321.10342	2.2
321.55328	1.6
333.04935	6.0
339.11197	20.4
351.06021	11.1
369.12097	5.9
381.07074	13.0
381.12131	3.2
382.90738	1.5
382.95770	2.3
383.07480	1.4
393.12216	2.5
399.08063	6.4
399.13235	6.1
401.05991	1.4
423.13174	2.8
441.09100	75.2
441.14496	14.3
442.09344	2.1
443.09311	3.5
459.15546	10.3
483.15311	5.8
485.08182	41.0
486.08401	1.8
603.19196	2.7
621.20691	25.8
639.21588	4.0
725.17657	1.6
729.45996	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.5
55.01869	1.7
55.05518	10.9
57.03434	2.7
57.07067	1.4
65.03934	3.0
67.05508	34.3
69.07067	8.6
70.83723	3.3
71.04963	1.3
79.05498	34.8
81.03406	1.9
81.07056	29.6
83.08614	3.6
91.05494	18.5
93.07056	36.3
95.04971	2.6
95.08614	22.7
97.06555	2.7
97.10175	2.2
105.07025	10.0
107.08600	16.7
109.10168	8.6
113.00035	8.8
117.07023	4.0
119.08629	8.4
121.10149	13.6
123.11732	2.6
131.08585	5.5
133.10124	5.6
135.11682	8.6
145.10165	3.5
147.11684	2.9
149.13243	2.2
159.11746	2.6
161.13228	2.2
169.02635	4.7
173.13324	1.7
175.14923	1.9
202.48189	1.5
213.81516	1.6
261.22214	4.9
262.25363	5.1
317.24677	3.3
335.25943	4.5
343.18802	1.5
442.14969	1.4
586.26715	1.6
595.47260	100.0
596.47540	4.2
612.46790	3.8
627.46008	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	724.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.1
55.05514	19.3
57.03444	10.7
59.04985	1.5
61.02925	2.0
65.03940	2.3
67.05511	31.0
69.03421	5.1
69.07073	9.3
70.06583	1.5
70.46362	3.5
71.01328	1.3
71.04993	2.9
71.93372	0.9
73.02901	1.2
79.05064	2.1
79.05496	23.5
81.03422	72.0
81.07058	23.9
82.07255	1.1
83.04981	8.7
83.08624	19.4
84.08157	1.3
85.02912	7.0
85.06565	2.1
85.44290	1.1
87.04453	1.4
88.67263	1.0
90.77409	1.1
91.05487	22.1
93.07042	17.5
95.04977	29.8
95.08613	11.9
97.02908	5.5
97.06539	5.9
97.10178	14.5
103.05463	1.3
105.07041	18.8
107.04964	14.5
107.08598	13.6
109.02963	1.6
109.06522	7.6
109.10159	11.5
111.04430	2.4
111.08105	9.8
113.06050	1.5
115.05462	2.4
117.07008	6.1
119.08582	17.2
121.06477	8.5
121.10149	11.6
123.04422	2.5
123.08054	5.7
123.11674	1.5
125.05965	1.1
125.09648	12.4
129.07018	10.1
130.08627	1.8
131.08578	12.1
133.06464	4.5
133.10107	8.4
135.04405	1.1
135.08084	2.7
135.11729	2.4
135.69978	1.1
137.05971	2.4
137.09616	3.1
141.07036	1.7
142.07776	2.1
143.08522	2.5
143.10594	1.5
145.06485	4.2
145.10100	5.2
147.04449	2.3
147.08047	5.1
147.11722	10.1
149.06012	1.3
149.09673	5.3
151.11192	2.4
153.09119	2.5
153.12697	1.9
155.08542	1.9
155.10661	1.4
157.06502	1.2
157.10118	12.4
158.93338	1.1
159.08080	2.8
161.09674	3.2
163.11163	7.7
165.12790	1.1
167.10664	1.1
169.10098	2.0
171.08061	1.4
171.10291	1.1
171.11700	1.2
173.09697	2.2
173.11722	1.7
175.11197	12.2
177.12648	1.3
181.12202	1.7
182.44350	1.0
185.09564	1.4
187.09445	1.1
189.09200	1.2
189.11203	5.8
189.12730	2.0
191.10701	2.1
193.12257	27.6
199.11298	2.3
199.13286	2.4
201.12889	1.2
209.11708	4.7
211.13274	9.0
213.12823	1.3
217.12305	1.5
219.13770	2.8
225.44777	1.2
227.12758	4.3
229.14349	8.4
231.13911	1.5
233.15329	3.1
249.14935	2.7
253.14151	1.4
255.13911	1.5
265.14545	1.3
267.15924	68.8
273.14828	4.9
277.13861	1.2
283.15369	2.8
285.17072	7.1
301.16461	3.3
339.23291	2.0
349.21646	3.3
357.24188	1.6
367.22778	9.0
385.23776	17.8
403.24872	6.3
437.25433	1.5
441.26303	5.8
459.27448	100.0
460.27353	2.3
477.28513	92.1
478.28778	3.8
491.30246	6.7
501.28137	4.1
509.27069	2.1
527.28198	6.3
543.65125	1.3
567.29523	3.2
585.30750	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.5
55.05512	14.0
56.86925	0.9
57.03443	11.3
57.07060	1.4
59.05013	1.9
61.02926	1.9
62.06263	1.0
65.03925	1.2
66.50306	1.0
66.92072	1.0
67.05178	2.0
67.05511	26.6
69.03420	4.7
69.07077	6.3
70.06606	1.6
71.01343	1.1
71.04996	3.2
71.52119	1.7
72.52769	1.1
73.02924	1.4
79.05495	24.4
81.03424	71.8
81.07066	22.8
83.04987	10.7
83.08152	1.7
83.08624	24.8
84.08157	1.3
85.02907	14.0
85.06532	2.1
87.04481	1.4
91.05494	27.6
93.07050	16.5
95.04976	26.5
95.08620	11.5
97.02908	6.0
97.06526	4.7
97.10187	6.5
99.04441	1.4
99.08089	1.9
105.07038	15.0
107.04951	8.8
107.08601	11.1
109.02889	1.1
109.06523	5.5
109.10173	11.1
111.04463	3.8
111.08082	10.6
113.06003	1.0
115.05463	2.0
116.07073	2.3
117.07054	2.9
119.08587	16.0
121.06479	3.3
121.10148	9.5
123.04468	1.3
123.08056	3.8
123.11700	1.1
125.09663	8.2
129.06996	9.9
131.04999	1.4
131.08591	13.0
133.06500	3.2
133.10147	11.9
135.08086	4.6
135.11659	5.2
137.05989	1.5
137.09598	3.1
139.11162	1.0
142.07791	2.5
143.08620	1.4
145.06444	2.7
145.10136	6.7
147.08051	5.0
147.11710	12.4
149.09639	8.2
151.07581	2.4
151.11205	2.0
153.09004	1.5
153.12776	1.7
157.06467	1.2
157.10138	12.4
159.08176	1.6
163.11195	7.0
165.09169	1.8
165.12798	2.3
171.08170	1.1
173.04141	1.2
173.09674	2.2
173.11717	2.0
175.11209	13.6
180.44994	1.3
181.12280	1.3
185.13303	1.4
189.09061	1.7
189.11230	2.2
191.10727	2.0
193.12263	33.2
209.11778	3.7
211.13309	17.7
226.41270	1.1
227.12770	4.4
229.12410	1.1
229.14262	5.9
231.13986	1.2
235.13309	1.5
249.14980	2.9
267.15933	44.6
268.16412	2.2
273.14847	1.7
283.15463	6.3
284.15646	1.5
285.17020	18.6
301.16431	4.5
349.21518	2.0
350.68707	1.2
357.24365	1.9
365.23077	2.3
367.22794	5.7
385.23666	8.1
403.24762	4.0
421.25760	2.1
437.25351	1.4
441.26514	3.6
455.26382	1.5
459.27435	56.2
475.27139	1.4
477.28500	100.0
478.28748	2.9
509.27286	2.4
527.28528	9.3
545.29376	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	723.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52845	1.6
53.03959	2.6
54.29583	1.8
55.01863	4.0
55.05512	4.7
57.03440	3.9
63.61008	1.8
65.03934	3.0
67.05513	11.4
69.03445	11.4
69.07082	10.1
70.06607	16.6
71.01346	2.2
71.04991	7.1
73.02937	2.3
77.42723	2.0
79.05503	16.0
81.03433	18.9
81.07075	11.9
83.04992	7.4
83.08624	4.7
84.08145	5.5
85.02901	10.9
85.06572	3.0
91.05503	25.6
93.07053	19.3
94.04208	3.6
95.04982	14.8
95.08630	6.1
96.12656	1.9
97.02917	12.0
97.06544	13.8
99.04480	4.4
99.85464	1.9
103.05507	3.3
105.07050	25.3
107.04971	6.1
107.08591	10.1
109.02873	5.3
109.06523	9.1
109.07200	1.9
109.10190	6.5
111.04449	1.9
111.08097	3.2
113.06024	3.5
115.05463	3.9
116.07083	12.9
117.06955	4.3
119.04960	7.0
119.08625	10.1
121.06478	10.3
121.10183	4.9
122.03654	8.2
123.04445	2.6
123.08086	4.4
125.05972	5.2
127.03928	7.9
128.06230	3.2
129.06987	7.5
130.07784	2.4
131.04944	4.3
131.08586	15.0
133.10156	4.3
135.04436	4.6
135.07985	2.8
135.11731	2.9
137.05998	100.0
138.06299	2.9
139.07642	2.9
141.07021	3.6
143.07103	4.7
143.08577	20.0
145.05026	1.9
145.06509	6.2
145.10152	31.7
147.08043	4.5
147.11685	2.2
149.05997	5.9
151.03906	11.4
151.07558	35.5
152.80377	2.1
153.07040	3.1
155.08607	5.3
156.09299	2.3
157.06517	2.4
157.10135	5.4
158.07289	2.6
159.08070	6.0
159.11723	5.8
161.06012	12.0
161.09657	3.6
163.03893	3.0
163.07611	5.5
163.11200	6.8
165.07034	7.1
165.09140	13.1
167.07138	3.8
167.08583	4.4
169.06508	4.7
169.10152	2.3
171.08099	3.8
171.11639	2.9
173.09651	7.7
173.13350	3.6
174.06813	3.5
175.07576	11.0
175.11116	2.4
177.05533	3.5
177.09195	5.2
179.07088	3.8
181.06468	2.9
183.08058	2.6
183.11746	5.8
185.09505	2.2
187.06000	2.5
187.07539	7.1
187.11185	7.5
189.09169	13.4
191.07028	2.5
191.08618	7.3
191.10619	10.2
193.06566	4.0
193.12213	3.4
194.07382	2.5
195.08034	3.7
197.05986	2.4
197.09637	4.1
197.13272	5.8
199.07635	3.6
201.09163	5.9
201.12787	3.8
203.07030	7.2
203.10686	3.5
205.12230	5.3
209.09743	4.9
210.06697	2.4
211.07637	3.1
212.08109	2.6
213.09146	4.9
215.06979	4.4
215.10712	10.7
217.08589	2.7
218.07317	2.2
219.08177	10.3
219.10004	2.3
219.13847	2.9
221.06030	6.4
221.09624	2.1
224.08412	2.8
225.09189	5.6
225.12741	4.6
227.10710	3.1
229.08577	4.3
229.12270	2.8
229.14326	2.4
233.09721	2.8
233.11639	3.8
237.09154	4.9
239.10747	5.0
241.08623	3.2
241.12354	3.7
243.13922	3.8
247.07707	4.0
249.09193	3.1
251.10754	9.4
253.08734	7.0
253.12289	5.7
263.10715	4.8
265.08694	4.1
267.10242	5.7
267.16110	3.5
268.16275	4.2
275.10413	2.1
277.08942	3.2
277.12091	3.4
279.10294	5.5
285.11325	18.5
289.14496	2.9
291.10385	3.9
295.09952	2.7
297.11307	7.2
301.11938	3.7
303.10211	3.4
309.11365	4.8
311.12881	12.7
315.10068	3.7
317.11789	3.3
321.11316	6.4
323.12881	6.2
329.11569	2.5
337.14413	2.6
347.12805	3.0
361.14221	2.8
369.15005	3.3
375.12097	2.7
377.17731	3.3
391.19101	3.3
401.17789	3.0
433.17371	2.8
443.18811	3.0
447.17935	4.9
460.27335	2.7
473.23279	2.3
477.28607	4.1
497.23306	4.4
501.22940	3.2
515.24194	8.4
517.25916	5.6
519.23553	5.9
525.22754	3.1
543.23535	9.5
561.24994	7.9
567.22919	4.0
585.24066	2.8
641.26917	2.3
651.25000	2.4
659.29034	2.8
669.26709	5.5
677.29700	2.9
687.27856	7.2
705.28619	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	722.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94474	2.3
53.72201	2.9
55.05507	5.7
57.03459	2.8
61.02943	18.2
67.05511	41.2
69.03415	3.0
69.07075	6.5
69.43230	2.6
71.43979	4.0
73.02925	8.1
79.05504	19.1
81.03435	4.4
81.07068	46.7
83.08647	5.6
85.02913	21.2
91.03948	15.8
91.05479	18.3
93.07046	29.0
95.04961	5.0
95.08607	34.9
97.02898	17.4
97.06554	4.3
99.04420	2.7
105.07050	9.7
107.04989	3.9
107.08582	23.3
109.10145	22.1
111.08103	3.3
114.43576	2.6
116.53438	2.9
117.07066	4.4
119.08600	10.5
121.10146	22.0
123.11696	14.5
127.03930	8.8
131.08585	12.9
133.10150	12.2
135.11665	17.3
137.09639	3.3
137.13252	5.1
143.01866	3.2
145.04945	10.9
145.10100	12.7
147.11685	7.5
149.13235	17.5
151.14978	3.3
159.11716	11.7
161.02998	3.2
161.13301	7.1
163.06058	17.8
163.07184	3.0
163.14851	14.5
173.13266	10.5
177.16396	3.8
187.14812	8.4
201.16490	2.7
233.22737	5.3
243.21092	34.3
261.22159	100.0
262.22244	2.8
269.14987	5.9
271.06021	9.0
279.23199	5.6
290.16486	3.0
301.20132	7.6
335.25833	30.0
350.17560	39.9
350.67697	9.6
353.26871	75.4
477.54767	2.8
543.36548	3.2
722.41956	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.8
53.03941	1.8
55.01870	2.3
55.05518	6.3
57.03442	8.2
57.07059	0.8
61.02921	0.8
65.03943	0.9
67.05511	10.6
69.03427	2.0
69.07075	3.9
70.06594	0.9
71.05003	2.5
71.52575	0.8
73.02906	1.1
79.05499	14.4
81.03423	43.5
81.07061	13.5
83.04534	0.7
83.04979	4.4
83.08623	11.9
84.08150	1.0
85.02910	1.2
91.05479	11.2
93.07051	21.9
95.04974	13.1
95.08617	18.9
97.02902	2.9
97.06540	2.9
97.10188	1.2
99.04482	1.6
103.05470	0.7
103.70648	0.6
105.07033	9.4
107.04968	6.5
107.08601	14.5
109.06517	2.7
109.10157	2.8
111.04435	2.6
111.08069	3.1
113.05984	0.8
115.05447	1.0
117.07021	5.0
119.04910	0.7
119.08584	10.8
121.06500	4.5
121.10165	8.5
123.11809	0.7
125.06023	1.3
128.06200	0.6
129.07014	3.9
130.07808	1.1
131.08591	4.4
133.06520	1.3
133.10124	4.2
135.04445	0.9
135.08058	1.4
135.11705	29.9
137.05959	1.1
137.09637	0.9
142.07834	0.7
143.08507	0.8
145.10132	16.4
147.08063	1.9
147.11690	4.4
149.09633	1.8
151.07565	0.9
153.12769	0.8
157.10112	5.1
159.11713	0.9
163.11195	37.9
165.12798	0.7
175.11171	4.9
181.12245	6.9
193.12268	11.9
209.11784	1.6
211.13246	1.7
227.10915	0.5
227.12791	38.4
267.15930	84.4
268.16342	2.0
283.15421	59.4
284.15765	1.0
475.26965	100.0
476.27344	3.4
493.28015	1.9
517.28217	1.6
565.37274	0.8
568.35724	0.7
583.29254	0.9
595.17120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.1
55.01874	1.1
56.05040	2.6
57.03444	1.5
59.48909	0.6
61.02929	2.8
67.05511	1.5
69.03439	8.8
69.90063	3.6
70.06597	2.8
73.02938	1.5
80.05081	0.7
81.03428	3.6
82.06596	1.5
84.08152	8.0
85.02922	14.8
86.09725	1.6
87.04506	1.1
97.02914	6.3
99.04490	1.3
103.03947	1.4
109.02897	2.3
111.04449	0.8
116.07142	1.6
119.04979	2.2
121.02884	9.1
123.04434	0.8
127.03960	2.7
128.07111	2.5
145.02885	1.6
145.05014	0.8
151.03941	0.7
163.03989	1.2
167.07124	2.0
179.03490	1.2
189.01846	7.0
191.03412	1.6
203.03470	2.8
207.02919	4.2
215.03564	1.2
221.04463	1.0
225.05605	1.1
230.08240	1.3
232.09908	0.7
233.04588	1.2
241.05153	0.7
242.08302	1.0
243.06606	0.8
267.06580	0.9
268.07443	1.5
271.06216	2.0
279.06641	2.5
281.08148	1.6
283.06082	8.3
284.06793	1.6
291.06464	0.9
293.08292	3.2
294.05301	1.9
295.06064	17.5
295.09381	1.3
296.06802	3.3
297.07602	5.1
305.08289	2.0
306.07889	1.7
307.06021	47.8
308.06769	2.5
309.07632	9.1
313.07056	5.3
317.08209	1.3
318.07956	1.4
318.11493	1.3
319.06134	4.2
319.09454	1.3
320.07001	3.2
321.07599	14.1
322.08484	2.8
323.09311	1.8
325.07108	34.9
330.11288	3.5
331.09280	1.3
331.12656	1.1
332.13080	1.1
333.07587	8.6
333.11218	0.9
335.08597	3.8
336.12463	1.5
337.07751	3.4
337.10837	3.3
339.08646	5.4
342.11478	3.0
343.09702	3.7
345.07651	1.2
347.09232	2.6
348.12341	9.9
348.16428	0.8
349.07117	7.1
349.10907	5.2
351.08725	12.5
351.12674	1.1
353.10291	1.1
354.13394	4.4
355.12134	1.8
360.12363	20.3
361.10739	57.4
362.11069	1.8
363.08499	1.7
365.10501	0.9
366.13492	1.0
366.97775	0.8
367.11954	1.6
375.08633	2.3
375.12689	1.1
376.11874	2.4
377.10468	1.9
378.13437	19.9
379.07513	1.7
379.11865	19.1
390.13800	1.2
391.07983	1.7
394.13028	2.1
396.14417	16.6
398.12567	2.4
402.13531	3.3
403.11777	13.2
409.09177	1.1
414.13641	1.2
418.14401	0.9
420.14648	4.4
426.13300	1.1
427.11707	1.6
433.12259	2.1
440.13434	20.0
441.12158	0.9
444.14606	2.9
445.13013	3.6
462.15689	3.2
463.13684	3.2
464.13809	2.1
480.16812	2.7
481.15250	3.0
498.17676	17.2
499.16702	1.4
516.18768	4.4
542.16614	14.7
558.19739	3.6
560.17590	10.5
595.16821	3.4
602.18768	16.6
602.28369	1.0
660.22906	1.4
661.21558	2.9
678.24146	5.3
704.21851	4.0
722.22974	100.0
723.23395	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	722.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37801	0.5
57.03437	0.5
61.83780	0.5
69.03429	1.0
70.06606	0.7
81.03418	0.8
82.06589	7.8
84.04462	0.7
84.08155	1.1
85.02892	2.3
86.79333	0.5
88.04002	4.0
93.03420	0.6
94.06584	1.0
97.02930	1.0
99.04414	0.6
100.07625	1.0
103.03976	0.6
107.04963	1.1
109.02931	0.6
109.21911	0.5
111.04452	0.7
118.29630	0.6
120.88247	0.5
121.02888	19.2
121.03808	0.6
123.04443	4.3
124.07587	0.7
127.03939	4.4
128.07088	16.6
131.04959	1.0
135.04446	2.5
139.03937	1.7
145.06165	0.6
147.04459	1.1
151.03888	1.1
153.01897	1.0
157.06448	0.8
158.07303	1.7
159.08073	4.9
161.05997	0.6
163.03912	4.2
165.01814	1.4
173.02345	0.8
177.05415	0.6
179.03557	0.8
183.02827	0.7
189.01910	2.1
191.03398	1.3
195.02930	1.7
197.06128	1.2
198.09091	1.1
200.10716	9.3
201.05553	0.7
203.03494	1.6
207.02927	2.6
215.03473	0.8
217.05049	1.0
219.02931	1.8
221.04413	0.8
225.03972	0.7
226.08730	1.0
229.05069	1.0
231.02937	1.2
233.04559	1.0
237.03905	0.6
245.04503	1.7
247.06094	1.9
249.03787	0.8
255.02898	0.7
257.04669	0.7
261.04010	1.5
271.06201	1.5
273.03989	1.5
283.06070	0.7
285.03979	1.3
290.09521	0.7
291.05219	0.7
293.08356	0.9
294.05295	1.0
295.06012	4.8
296.06815	0.6
299.05789	0.7
303.04993	0.9
303.10281	1.0
305.08090	4.3
306.08914	2.1
307.06024	2.3
307.09378	0.8
309.07654	1.0
315.10223	0.7
317.08136	6.3
318.05414	0.8
318.08987	1.6
319.05997	1.9
319.09784	4.5
320.10471	1.5
321.07706	2.3
321.11404	0.6
323.09225	1.8
325.07004	5.7
329.08185	3.1
330.08911	1.4
331.09570	4.9
333.07684	2.3
333.11264	0.8
334.08411	1.1
335.09210	10.1
337.07114	3.2
337.10742	1.2
343.09698	2.3
344.10568	1.1
345.07651	1.4
345.11337	1.0
347.09149	11.3
348.09860	0.7
349.07169	2.4
349.10867	1.6
351.08713	1.3
355.09393	1.3
357.07394	0.8
357.11243	1.6
359.09103	5.2
361.07074	1.6
361.10889	2.6
363.08728	1.3
365.10236	3.8
371.09271	2.5
373.06876	0.8
373.10883	2.4
375.08719	1.5
376.11856	2.1
377.10223	9.1
379.07980	1.4
381.10205	0.8
383.09106	1.7
385.11038	1.0
387.08322	1.4
387.12500	1.9
388.12219	1.2
389.10275	3.3
391.08228	2.1
393.09863	0.7
394.12848	3.2
397.10788	1.3
400.11887	0.8
401.10190	7.1
403.08029	1.2
405.09616	0.7
406.13077	2.4
407.11465	1.6
409.09332	1.7
413.09918	3.7
415.11874	2.4
418.13046	3.7
419.11426	2.8
421.09286	1.3
422.12537	1.5
424.14102	2.2
425.10370	2.1
431.11444	4.0
434.12604	1.1
436.13925	5.3
437.12375	1.3
440.13577	2.0
442.12735	1.8
443.11172	4.8
445.12473	1.2
447.11096	0.8
448.14319	1.5
449.12424	1.4
452.13693	1.7
460.14023	3.0
461.12341	4.7
464.13516	0.9
466.14871	1.8
470.14502	0.7
472.13919	1.4
478.15079	1.0
479.13504	2.7
482.14401	2.9
484.14111	1.2
485.12390	1.2
487.10266	0.8
490.14862	1.5
496.15887	1.3
502.15027	2.1
503.13489	0.9
506.14667	1.5
509.67557	0.7
514.17273	1.8
520.16046	4.5
527.13489	1.0
536.15594	1.6
538.17224	3.3
542.17328	0.7
545.14941	1.0
548.15790	0.9
556.18359	1.1
560.17657	22.9
563.16193	1.0
566.16791	2.6
584.17749	12.1
602.18762	20.6
602.28503	1.1
607.16553	0.8
608.17474	0.8
622.19427	0.9
626.18756	1.9
632.19183	0.8
638.18439	1.3
656.19470	0.8
658.21082	1.4
668.19653	2.4
686.20599	5.9
704.21924	30.4
705.22235	0.9
722.22937	100.0
723.23450	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01871	1.4
57.03437	1.3
61.02926	2.3
65.03936	1.1
68.05042	0.8
69.03437	9.7
70.06584	2.6
70.66471	2.4
73.02927	1.3
81.03429	3.4
82.06586	4.1
84.08150	15.1
85.02916	12.6
87.04482	1.8
88.04002	3.1
93.03373	1.0
97.02903	6.6
99.04452	1.0
100.07655	1.1
103.82166	0.7
105.59509	0.8
107.04934	1.3
109.02892	2.6
110.31622	0.8
116.07133	0.8
119.04966	3.4
121.02885	26.5
123.04456	1.1
127.03934	3.1
128.07100	13.9
135.04437	1.2
145.02882	2.9
151.03952	0.8
161.02357	1.1
163.03949	1.3
165.01859	0.9
175.03821	1.3
177.01877	1.4
179.03455	3.1
182.07558	0.8
187.03958	1.1
189.01865	3.2
189.05534	1.3
191.03387	1.3
195.02953	2.6
197.06050	1.1
199.03905	0.9
201.05545	1.5
201.72060	0.8
203.03426	6.8
205.05122	1.0
207.02878	4.9
211.03899	1.0
213.02045	1.0
213.05444	0.9
215.03743	0.8
217.05080	3.3
219.03009	1.1
221.04434	1.5
224.20628	0.8
227.03485	1.6
229.04974	1.5
231.02989	1.6
242.08141	5.0
245.04457	1.3
255.02951	1.3
256.09866	1.2
267.06711	2.9
268.07315	5.1
269.08182	1.7
279.06549	2.9
282.05322	1.1
283.06015	6.9
284.09479	1.7
289.08835	0.9
292.07501	1.1
293.07764	1.2
294.05362	2.4
295.06036	59.7
296.06775	7.6
297.07574	9.2
305.08130	2.8
306.08990	1.2
307.06140	11.7
307.09637	2.1
308.06747	1.3
309.07611	10.3
317.08099	5.2
318.08514	0.9
319.06158	1.8
319.09430	1.5
320.06900	3.8
321.07623	20.1
321.10852	1.0
322.08426	1.5
323.09134	7.0
324.09799	1.7
325.07083	100.0
326.07397	1.6
329.08191	3.8
331.09656	1.4
333.07455	5.0
334.08493	3.1
335.09097	15.3
336.09741	2.0
337.07159	8.4
337.10706	1.6
339.08606	6.2
345.07626	3.7
346.10980	1.4
347.09064	10.8
348.12454	3.2
349.07059	27.8
349.10721	2.2
351.08698	2.8
353.10275	6.5
359.09210	2.0
360.12512	3.4
361.07123	5.8
361.10956	1.7
362.10147	1.1
363.08585	14.0
363.12546	1.2
364.11887	1.7
365.10196	13.0
371.09299	1.1
373.07162	2.4
375.08759	1.3
376.11810	3.4
377.10446	1.6
378.13510	7.3
379.08090	6.4
381.10123	1.0
387.08536	1.8
389.10199	4.7
390.86893	0.8
391.08203	15.3
393.10455	0.8
394.12909	24.0
396.14529	2.7
398.12589	2.5
401.10269	1.6
402.13446	1.0
403.12045	1.1
405.09799	1.6
409.09250	16.5
410.12494	6.2
414.13467	0.9
415.08051	1.7
418.12823	3.7
420.14401	1.6
427.10306	18.4
429.09909	1.1
431.11667	1.5
432.14526	1.0
433.09329	3.6
436.13940	1.0
440.13458	76.3
441.13705	2.3
444.14963	1.0
445.11374	13.2
448.14282	0.9
460.14001	1.7
464.13525	17.3
464.19482	0.7
475.10251	1.0
478.15051	3.7
479.14880	0.9
487.12494	6.4
488.13351	1.1
494.14435	3.6
496.16031	2.4
506.14462	3.2
506.21732	0.8
524.15558	10.1
542.16632	43.8
543.16760	1.0
560.17694	13.8
574.27905	0.9
602.18854	20.3
607.16632	55.3
608.17169	2.0
704.21777	10.9
722.22919	64.6
723.22955	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49713	0.6
55.01877	1.0
57.03453	0.9
60.04517	0.8
61.02927	1.1
65.03944	0.7
67.04266	0.9
69.03446	1.2
69.44556	5.0
70.02981	0.9
70.06593	1.3
81.03431	1.0
82.06585	6.9
84.08149	1.1
85.02917	3.0
88.03982	4.1
91.05474	0.6
93.03404	0.7
94.06590	1.4
95.04980	0.7
100.07626	1.3
103.03982	0.7
107.04981	1.6
109.02876	1.3
111.04443	1.6
119.04984	0.8
121.02871	21.1
121.03735	1.3
123.04447	3.3
127.03923	4.1
128.07082	17.6
128.07967	1.3
131.04936	0.9
135.04462	2.4
139.03908	1.5
141.06923	0.8
145.06136	1.0
147.04443	1.6
153.01813	0.8
158.07309	1.9
159.08096	3.1
163.03911	4.4
165.01927	0.8
171.08105	0.7
173.02351	0.8
175.03961	0.9
176.43561	0.8
177.01846	1.2
177.05510	0.9
179.03448	1.4
181.06615	0.6
186.09161	1.2
187.03932	0.7
189.01897	1.2
191.03394	1.7
195.02980	1.5
197.06055	1.2
198.09123	0.7
199.07576	0.9
200.10712	9.9
203.03481	1.1
207.02959	2.7
209.02730	1.5
213.05504	1.0
219.03047	2.5
225.03831	0.8
229.05069	1.4
231.03041	0.8
233.04509	0.8
243.02962	0.9
245.04620	0.7
247.06042	1.3
249.03937	1.2
261.03995	1.6
273.04010	1.4
279.06934	0.8
283.06079	1.3
285.04138	1.1
292.07272	0.9
293.08191	1.2
294.05154	1.2
295.05975	5.2
296.06796	2.0
305.08090	3.7
306.05548	1.1
306.09027	2.2
307.06223	3.3
307.09473	1.0
308.06821	1.3
309.07535	1.9
311.05728	0.8
317.08063	6.1
318.08817	1.6
319.06152	1.5
319.09763	4.9
320.06696	0.8
320.10431	1.4
321.07645	2.2
323.09305	2.7
325.07101	6.1
329.08121	3.2
330.08801	1.0
331.09732	3.7
333.07727	2.9
333.11459	1.0
334.08069	0.8
335.09146	11.5
337.07135	3.0
337.10794	1.3
343.09753	2.3
345.07578	1.6
345.11459	1.3
347.09097	12.3
349.07166	3.3
349.11063	1.8
351.08578	1.0
355.09509	1.3
357.07556	1.5
357.11465	1.3
359.09119	5.9
360.09653	0.9
361.06888	1.6
361.10794	3.0
363.08691	1.8
365.10153	4.8
371.09280	2.3
373.10938	2.7
375.08722	3.0
376.12054	2.5
377.10217	10.9
379.08038	1.3
379.12473	0.9
381.10620	1.0
383.09116	1.4
385.10928	1.3
387.12509	3.8
388.12140	1.7
389.10291	3.6
391.08032	1.6
391.12390	1.1
394.12930	4.1
397.10535	1.1
401.10233	6.8
403.08121	1.8
405.09650	1.1
406.12970	2.4
407.11728	1.2
409.09360	1.7
413.09958	3.5
415.12091	1.9
418.12888	4.0
419.11139	3.8
421.09341	1.9
422.12445	1.0
424.14102	3.0
425.10245	1.4
427.11142	0.9
431.11267	3.9
436.13931	5.2
437.12781	1.4
440.13617	2.8
442.12955	1.5
443.11386	6.4
445.11771	1.2
448.13943	1.1
449.12045	1.0
452.13571	1.7
455.11804	1.0
460.13879	4.5
461.12323	5.2
466.15018	2.1
467.11588	0.8
470.14642	0.9
472.13940	1.1
478.15363	2.2
479.13419	3.0
482.14691	3.3
484.13699	1.2
485.12628	1.3
487.11404	1.5
490.14896	1.8
496.16055	1.3
502.14810	3.3
503.13354	1.0
506.14847	1.9
514.16949	4.1
520.16174	3.6
527.13300	1.7
536.15222	1.3
538.16895	3.5
545.14142	1.0
556.18579	0.8
560.17664	28.2
566.16699	2.7
584.17676	11.9
602.18732	19.2
607.16931	1.4
614.18542	0.9
622.19452	0.8
626.18579	2.0
638.18457	1.5
656.20093	1.0
658.21167	1.3
668.19427	2.5
686.21045	7.0
704.21869	28.4
722.22937	100.0
723.23615	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	719.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.7
57.03427	0.4
57.07070	1.2
67.05514	1.2
69.07066	0.6
69.96805	2.0
71.08633	1.1
79.05501	1.2
81.07054	1.6
83.04993	0.4
83.08640	0.4
85.10194	0.8
91.05464	0.6
93.07050	1.4
95.04977	0.5
95.08628	1.9
102.57260	0.4
107.08627	1.0
107.92217	0.4
108.14677	0.3
109.10186	0.5
119.08616	0.4
121.10171	0.6
123.03080	0.4
135.11719	1.4
136.12057	0.7
145.10188	0.9
157.07840	0.5
163.11185	2.5
195.09320	0.4
207.09282	0.5
208.09988	0.5
209.10869	0.4
210.11537	1.1
221.10724	0.6
222.11494	0.6
223.08720	0.9
223.12289	1.1
224.13159	0.7
225.10397	0.8
225.13919	3.3
226.14639	1.1
227.12804	2.1
228.13188	0.7
235.12344	0.7
237.13931	1.5
238.14648	0.5
249.13971	1.4
251.08200	2.2
251.12004	0.7
270.13638	0.5
283.15475	3.7
284.15750	2.2
288.11374	0.4
300.11310	0.5
309.08844	0.8
313.27267	3.5
314.12857	0.8
314.27606	2.8
316.14777	0.5
366.16455	0.5
387.16541	0.5
389.17642	0.8
390.18686	0.5
391.19424	0.6
403.15662	1.7
412.17075	0.6
415.15414	0.5
417.16858	3.5
418.17969	1.3
419.18188	0.6
419.22949	0.7
427.19232	0.6
431.18900	2.8
432.19431	2.8
433.20285	4.9
445.16452	1.4
445.21356	1.0
447.21930	10.7
448.22592	1.2
455.18820	0.5
459.22232	0.6
460.19125	1.2
461.19528	1.0
462.20956	0.5
474.20590	1.2
475.21341	23.6
476.21997	5.7
477.23013	0.8
487.21558	0.7
489.22980	0.7
493.22104	0.5
503.20554	2.7
505.22296	0.6
507.24014	0.6
515.20966	0.6
516.21381	0.5
519.23883	1.3
521.38586	1.5
522.38708	5.0
533.24896	0.5
534.26563	0.9
535.23389	18.3
536.23779	1.1
547.23730	3.0
549.25311	2.1
561.24933	5.6
562.25836	5.2
563.26520	3.0
575.24164	0.5
579.25861	0.7
590.25464	1.3
607.25629	1.4
621.27148	8.4
622.27911	100.0
623.28278	3.5
719.33551	1.2
719.48206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86819	0.3
94.45924	0.3
98.20711	0.7
104.90601	0.4
113.19477	0.3
115.56565	0.3
118.06542	0.5
120.08115	0.4
144.08119	0.3
158.09682	0.5
196.09991	0.3
204.06583	0.4
209.10815	0.6
210.11464	0.8
211.08914	0.3
211.12341	0.6
212.13177	0.4
221.10826	0.8
222.11555	0.4
223.08659	0.8
223.12210	1.6
224.13123	0.5
225.10313	1.1
225.13895	3.6
226.14706	1.2
229.44484	0.4
235.12288	0.8
236.13190	0.5
237.13855	1.6
238.14729	0.6
239.15483	0.4
247.12367	0.4
249.10159	0.4
249.13960	1.1
251.08224	2.3
251.11797	0.4
265.13452	0.5
270.13727	0.5
273.13843	0.4
276.16229	0.5
277.09671	0.4
299.15619	0.3
309.08740	0.8
312.15234	0.4
314.16327	0.4
316.14334	0.5
328.14627	0.4
338.12875	0.6
340.14526	0.6
352.14706	0.4
366.16278	0.8
368.13757	0.6
368.17719	0.5
384.17328	0.5
386.16229	0.3
389.17783	0.9
398.14960	0.4
399.19888	0.4
402.15259	0.5
403.14932	1.8
403.19696	1.2
404.20581	0.7
404.60852	0.3
405.21066	0.8
412.16464	0.4
415.16284	0.7
417.16986	3.6
418.17703	2.8
419.18515	1.0
419.23047	0.7
427.19574	0.4
430.18860	0.7
431.19153	2.3
432.19360	3.0
433.20227	4.0
443.18484	0.7
445.16486	1.4
445.21298	0.6
446.21082	1.5
447.21909	11.4
448.22757	0.7
454.17792	0.4
455.18335	0.6
458.17749	0.7
459.17371	0.4
459.22565	0.6
460.19104	1.1
461.19385	1.0
462.20746	0.9
473.19925	0.7
474.20505	1.0
475.21347	26.1
476.22049	3.7
477.23071	0.5
487.21741	0.6
489.22891	1.2
493.21973	0.4
503.20303	4.0
505.22653	0.4
507.24054	1.1
519.24121	1.6
521.22137	0.4
521.25934	0.4
533.24915	0.4
534.26105	1.1
535.23383	18.2
536.23810	0.5
547.23254	2.3
549.25262	2.4
551.26520	0.4
561.25024	5.7
562.25842	3.1
563.26440	3.2
579.26068	0.5
589.24200	0.6
590.24701	0.7
607.25598	1.3
621.27045	9.0
622.27887	100.0
623.28265	3.9
635.48492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.0
55.05518	9.3
57.03440	7.1
57.07082	26.1
61.02918	1.8
67.05177	1.4
67.05515	16.5
69.07076	8.8
70.75137	1.1
71.05009	2.1
71.08640	20.9
71.53155	1.4
78.18482	1.0
79.05500	12.8
79.67152	1.1
81.07067	20.8
82.94144	1.1
83.04977	2.1
83.08621	13.5
85.10181	10.0
89.06036	4.0
91.05482	5.1
93.07053	24.3
95.04971	4.1
95.08615	34.3
95.53764	1.0
97.02920	2.7
97.06552	1.4
97.10184	3.9
99.04465	3.8
104.18916	1.1
105.07039	4.7
107.04966	6.6
107.08605	18.5
109.10168	8.6
117.07040	7.1
119.08586	6.6
121.06506	4.3
121.10178	8.9
123.11790	2.3
125.05981	2.7
127.96890	1.0
129.12262	1.0
133.08626	1.9
133.10164	1.7
135.08118	1.2
135.11700	37.6
139.07550	1.9
145.10130	19.1
145.11166	1.9
159.78955	1.1
163.11189	53.2
181.12244	10.7
227.12808	58.2
239.23817	1.8
257.24741	2.1
266.27774	1.2
283.15421	91.6
284.15836	1.6
313.27390	100.0
314.27667	1.8
447.21948	2.2
475.21384	8.3
489.23059	1.7
497.08591	1.2
521.38464	99.7
522.38837	3.6
535.23328	4.4
561.24896	2.0
621.27228	2.5
622.27844	32.1
718.46899	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	718.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33221	1.4
53.03946	3.2
55.01863	4.5
55.05519	16.3
57.03442	8.6
57.07071	1.8
57.16814	1.3
59.04997	2.9
61.02931	3.4
63.28905	1.4
65.03934	3.2
67.05510	100.0
69.03419	6.3
69.07084	14.4
71.04971	3.6
73.31518	1.7
74.12675	1.4
79.05072	2.4
79.05502	26.8
81.03422	9.5
81.06592	2.3
81.07061	41.1
83.04957	4.3
83.08624	13.1
85.02901	5.2
85.06542	3.8
91.05484	23.8
93.07052	25.9
95.04955	4.7
95.08620	14.9
97.02876	3.3
97.06552	9.5
97.10178	6.8
103.05506	2.3
105.07042	15.6
107.04947	5.0
107.08617	15.2
109.06506	2.7
109.10168	75.9
111.08089	6.2
117.07019	7.7
119.08605	13.6
121.06488	2.8
121.10141	6.3
123.04435	1.8
123.08057	3.8
125.09658	7.6
129.06990	4.4
131.08549	8.6
133.10132	13.0
135.04404	10.2
135.08066	3.4
135.11685	5.3
136.04744	5.7
137.09570	4.0
141.07037	2.0
143.08553	3.0
145.06516	4.8
145.10153	9.0
146.06798	2.8
147.11653	4.5
149.09593	5.7
149.13239	4.7
151.07565	17.5
152.07904	11.6
153.08057	1.6
155.10664	4.6
157.06494	3.2
157.10193	2.8
158.06894	2.0
159.11731	7.2
161.13275	2.7
163.11186	6.1
171.08121	1.7
171.11671	2.3
172.08771	2.0
173.04543	2.7
173.05977	2.3
173.09235	2.6
173.11769	18.0
173.13196	3.2
174.06496	1.7
177.12726	2.4
178.09544	1.7
188.08255	3.8
189.09062	13.6
189.11073	3.4
190.09479	10.7
191.09567	3.3
195.13759	2.3
201.09035	3.8
202.09500	4.4
203.10626	5.6
204.10980	7.1
204.38721	1.5
219.10190	2.8
220.10567	2.7
227.12796	13.1
229.12100	3.5
229.14357	64.1
229.19376	1.9
231.10150	6.5
232.10544	4.9
233.10759	2.7
249.11206	6.5
250.11540	4.2
251.11868	3.5
255.15933	4.0
257.18909	6.3
267.15872	1.6
269.17557	10.0
275.20105	19.2
297.17273	1.8
315.08484	2.0
349.23785	20.2
399.23834	2.2
409.25778	17.8
413.21487	1.9
423.27466	52.7
463.30508	3.0
503.33698	40.2
521.34717	5.3
543.27802	1.7
567.31482	2.6
664.21381	2.5
682.22540	3.1
700.22894	3.0
718.46716	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	718.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01870	4.9
55.05275	1.4
55.05518	18.2
57.03447	11.5
57.07064	2.7
59.04991	5.1
61.02929	2.7
65.03954	2.4
67.05511	100.0
68.91602	1.6
69.03423	6.0
69.06788	1.4
69.07073	16.9
71.03025	2.6
71.04988	4.9
79.05501	30.3
81.03429	10.3
81.07065	41.8
83.04970	5.9
83.08633	11.3
85.02917	4.8
85.06542	4.5
91.05486	26.3
93.06474	2.6
93.07050	32.5
95.05004	7.3
95.08605	19.6
97.02897	4.9
97.06545	9.2
97.10146	6.3
99.04491	1.4
99.08112	2.2
103.05474	1.9
105.07040	18.3
107.04971	5.1
107.08603	17.6
109.02876	2.2
109.06513	3.9
109.10168	79.3
111.04446	1.6
111.08070	4.8
115.05481	1.9
117.07027	6.8
119.08591	19.6
121.06480	2.0
121.10141	9.2
123.04368	1.3
123.08045	2.5
125.09641	6.8
127.03945	2.8
129.07018	4.3
131.08580	11.4
133.10146	10.6
135.04439	11.1
135.08040	2.5
135.11711	6.7
136.04697	3.5
137.09631	4.8
141.06985	1.7
143.08578	2.2
145.06512	4.8
145.10138	9.8
147.11671	5.4
149.02325	5.1
149.09569	6.8
149.13266	4.9
151.07559	15.7
152.07884	9.3
155.10641	6.6
157.10156	3.0
159.07945	2.4
159.11678	7.6
163.11185	4.0
171.11703	2.4
172.08801	5.0
173.05936	2.3
173.11754	20.7
173.13199	2.9
173.20149	1.4
177.12709	2.4
187.07520	2.2
188.08176	2.9
189.09091	11.3
189.11081	2.5
190.09489	9.4
191.09761	2.7
193.04951	3.1
195.13861	3.8
201.09061	3.9
202.09618	2.5
203.10675	4.4
204.11034	3.9
219.10178	1.8
227.12764	12.7
229.14374	77.1
231.10103	4.5
232.10497	2.4
247.20688	1.8
249.11130	3.0
250.11536	3.4
255.15903	4.0
257.19031	7.1
269.17532	11.0
275.20056	20.1
293.21130	2.7
325.20187	2.3
331.22803	1.6
349.23788	21.8
367.24890	1.4
385.09189	2.6
399.23907	3.4
409.25867	19.3
423.27441	63.2
424.27719	2.2
429.11707	5.6
468.14743	1.4
503.33768	39.2
521.34949	7.5
538.56451	1.6
543.27783	2.5
567.31079	2.1
682.22369	1.8
700.23193	1.7
718.37372	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	718.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.2
55.05488	0.3
65.03931	0.4
67.04263	0.9
67.05508	0.2
68.05009	0.3
69.03407	0.5
70.06582	0.2
70.30508	0.3
79.05470	0.1
80.05014	0.2
80.92805	0.1
81.03409	0.2
81.07060	0.1
82.06586	16.2
83.04977	0.3
83.07349	0.4
85.02898	0.3
91.05480	0.4
91.68652	0.1
93.07037	0.5
94.06575	0.2
95.04958	0.2
96.08171	0.1
97.02886	0.3
98.20808	0.2
100.06987	0.2
100.07624	4.3
103.05463	0.2
105.01875	0.2
105.07032	0.3
106.04160	0.1
107.04971	0.2
107.08606	0.3
109.02865	0.2
111.04411	0.2
114.05515	0.5
115.05479	0.1
117.94367	0.1
119.04929	0.2
121.02921	0.2
126.05553	0.2
128.07088	100.0
129.07394	0.4
131.04924	0.6
133.02872	0.2
135.04431	0.2
135.11740	0.2
136.05302	0.1
137.05983	0.7
139.07590	0.1
142.08662	1.3
145.06502	0.4
147.04372	0.2
148.05127	0.1
149.05936	0.3
151.03918	3.1
151.06444	0.3
151.07549	3.0
157.06479	0.2
157.88556	0.1
158.07201	0.2
159.04414	0.2
161.06018	0.3
163.03937	0.3
163.07588	0.2
167.07016	0.2
168.06595	1.1
172.08900	0.2
173.05992	0.3
174.06793	0.6
175.03894	0.2
175.07524	0.3
177.05481	0.3
177.09050	0.2
181.04980	0.4
181.08446	0.2
186.07590	0.7
187.07780	0.2
188.09296	2.0
189.05472	0.4
189.09106	1.2
191.07031	0.9
201.05492	0.5
201.09142	1.8
202.09929	0.5
203.06976	0.2
203.10686	0.5
205.08601	0.2
209.08115	0.8
211.07582	0.2
219.10258	0.3
231.10114	0.3
254.10368	0.1
262.09882	0.2
267.91583	0.1
268.11877	0.2
272.11252	0.1
277.08557	0.3
278.09427	0.1
286.12918	1.0
290.09348	0.2
293.11584	0.2
296.11343	1.4
298.08667	0.2
305.07968	0.2
314.12323	4.2
319.09729	0.2
320.10577	0.4
321.11288	0.4
324.10046	0.2
332.13419	23.5
333.13678	0.3
339.12222	0.3
350.14560	0.3
351.12311	1.4
369.13275	0.9
387.14459	0.4
470.16510	1.1
526.75616	0.2
577.12854	0.2
579.72968	0.2
700.26196	0.2
718.27148	4.8
719.27460	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.7
55.05510	1.2
62.70399	0.6
65.03937	1.8
66.04747	0.8
67.05491	1.2
71.26159	1.6
79.05484	2.2
79.27428	0.7
81.03423	10.4
81.07053	0.9
83.05002	1.4
91.05508	3.6
94.04179	2.4
95.04972	1.7
103.05461	3.0
105.07047	1.3
107.04975	4.1
108.05759	1.6
109.06483	1.0
111.04465	1.3
115.05472	4.0
116.06226	1.6
117.07018	3.2
119.04960	1.6
121.02851	1.6
121.06508	2.4
122.03662	4.1
123.04430	2.3
128.06227	4.5
129.07034	7.7
129.36922	0.7
131.04922	7.1
131.08559	1.3
132.05760	1.4
133.06497	1.5
135.04398	2.5
136.05237	3.7
137.02383	0.9
137.05988	46.9
138.06746	1.6
141.07004	2.1
143.04922	1.9
143.08534	2.0
144.05695	1.7
145.06493	20.9
146.07266	3.9
147.04465	1.0
147.08101	0.9
151.03992	4.0
151.07556	94.1
153.05505	0.9
153.06897	1.1
155.04965	0.9
155.06087	1.2
156.05728	1.4
157.06500	13.7
158.07297	7.8
159.04428	2.7
159.08064	13.7
160.05200	4.6
160.08824	3.2
161.06027	5.3
162.06770	1.6
163.03993	1.1
163.07535	2.1
165.05508	2.4
165.06964	2.0
167.08543	1.0
168.05705	0.9
169.06476	2.1
171.08051	3.9
172.05177	1.0
172.08844	19.3
173.06003	9.3
173.09544	1.1
174.06767	8.2
175.07553	16.6
176.08362	4.2
177.09114	7.5
179.07069	2.0
179.08536	0.9
181.06497	1.8
182.07263	4.0
183.08049	2.3
184.08832	1.0
185.05968	2.6
186.06799	1.7
187.03854	1.0
187.07553	9.6
188.08340	21.3
189.09120	100.0
190.09470	1.4
191.08705	0.9
191.10690	5.3
195.08099	1.7
196.08870	1.8
197.06012	1.2
198.06754	1.9
198.10533	1.3
199.07541	2.3
200.08321	3.7
201.05424	1.3
201.09123	31.7
202.09901	9.4
203.07045	2.2
203.10680	48.1
205.08636	3.0
207.08023	1.5
208.08810	1.5
210.06697	1.1
211.07568	2.0
212.08290	1.5
213.05563	1.3
213.09128	11.0
214.09843	2.3
215.10713	2.8
216.07863	2.0
217.08646	2.0
218.07350	0.9
218.09294	0.8
219.08072	2.4
219.10130	14.0
220.08838	1.1
221.11757	0.8
223.07561	1.1
224.08316	1.5
225.05640	1.1
225.09148	3.3
226.09932	1.4
227.07085	0.9
227.10695	1.6
229.04967	4.9
229.08665	1.5
229.12236	1.0
231.08200	2.1
231.10167	51.4
233.09566	1.5
234.06816	1.2
234.10336	1.0
235.07565	1.9
238.09937	1.3
239.07039	1.1
239.10707	2.5
240.07640	1.0
241.04857	1.1
247.07571	1.6
247.09775	1.4
248.08298	1.8
249.05624	1.2
249.09172	1.7
249.11258	37.7
250.11784	1.0
251.07198	0.9
251.10583	1.4
253.05080	0.9
253.08633	1.1
253.12346	1.0
255.06491	0.9
255.10187	2.5
257.04507	1.2
257.11710	4.1
261.09036	1.0
262.10034	1.3
263.07153	1.3
263.10587	2.1
265.08710	1.6
265.12146	1.1
267.06580	2.1
267.10052	1.7
269.11807	0.9
275.07123	1.1
277.08609	1.9
279.06686	1.0
279.10190	2.7
281.11557	1.6
283.06052	1.2
283.09540	0.8
289.08459	0.9
291.10083	2.7
292.10776	1.1
293.08344	1.4
293.11737	3.2
295.09641	1.4
305.08029	0.9
307.09705	2.3
308.10406	1.3
309.11279	1.3
319.09598	2.0
321.07666	1.1
321.11078	1.5
335.09302	0.9
337.10675	2.3
338.11130	1.2
371.04218	0.8
395.11252	1.7
403.11703	1.2
413.98044	0.8
423.10770	4.0
433.13141	1.1
441.13116	0.9
447.14301	1.3
449.12213	0.9
451.13907	1.7
459.14157	2.0
463.13712	1.3
475.13953	1.3
479.14578	1.2
487.14175	0.9
497.16113	2.3
505.14841	1.0
527.16882	1.1
575.17657	0.9
579.18146	1.0
615.19232	0.9
633.21240	3.6
635.22516	3.9
645.20801	2.0
651.22046	1.5
653.22778	0.9
663.22528	8.6
681.23212	12.9
699.24200	8.2
717.46283	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	6.8
55.20558	2.1
59.26680	2.3
68.01622	2.0
69.03444	2.4
71.52798	3.7
79.05492	5.5
81.03394	7.1
81.07036	2.0
82.83836	1.8
83.04974	2.2
91.05492	7.0
93.07033	2.2
94.04168	3.0
95.04996	3.7
103.05451	5.8
104.24043	1.8
105.07073	2.4
107.04953	8.6
111.04491	2.1
115.05473	8.3
115.24841	2.1
117.07039	4.9
121.02841	3.6
122.03651	5.5
123.04475	3.1
123.21581	2.7
128.06230	6.6
129.07010	11.2
131.04933	12.7
131.08589	3.5
133.06503	2.9
135.04472	3.8
136.05188	4.4
137.05989	100.0
141.06975	3.5
143.04910	3.8
144.05667	2.6
145.06502	29.3
146.07292	4.8
147.04431	4.2
149.05997	2.4
151.03893	5.7
151.07558	56.0
157.06496	19.2
158.07285	11.9
159.04379	3.3
159.08096	14.1
160.05304	2.9
160.08829	4.2
161.05989	10.1
162.06743	5.3
163.03960	4.4
163.07533	2.4
165.05473	5.4
165.06924	3.0
169.06441	2.9
171.08078	7.0
172.08846	33.6
173.05994	14.1
174.06747	8.0
175.07553	16.0
176.08328	6.0
177.09138	6.9
179.07059	19.4
181.06467	3.9
183.07974	2.5
185.05916	2.9
186.06778	3.2
187.07520	13.0
188.08369	29.0
189.09132	96.3
191.06992	3.3
191.10719	3.1
196.08752	2.4
200.08310	4.6
201.05487	4.0
201.09111	49.2
201.10968	2.9
201.50810	2.2
202.09875	7.9
203.06924	3.3
203.10687	74.2
203.12614	3.9
205.06564	3.1
205.08601	8.1
207.08116	3.1
208.08937	3.7
209.09665	3.8
211.07567	5.4
212.08340	2.9
213.09094	8.5
215.10736	6.1
216.07774	3.1
217.08582	4.1
218.07291	2.4
219.08081	6.6
219.10017	3.5
219.75841	1.9
220.08823	2.8
221.06018	2.3
221.11842	2.4
225.09163	3.5
226.09888	3.1
227.10762	5.5
229.04999	7.4
231.08344	3.1
231.10187	72.5
232.10835	2.4
235.07532	5.6
236.08316	2.6
239.10649	5.7
240.07727	3.2
247.07564	4.9
248.08368	6.9
249.09039	6.8
249.11298	14.8
250.09842	3.4
251.10693	4.8
253.08571	2.4
255.10280	3.8
257.11752	2.8
261.09143	4.7
262.05548	2.0
262.10013	3.0
263.10675	8.4
263.18506	2.8
264.07843	2.8
265.08704	3.6
267.06476	2.8
267.10156	4.1
275.24237	2.1
277.08621	5.9
278.09512	3.8
279.06802	2.0
279.10205	10.6
280.07681	2.2
280.10959	4.6
281.11679	5.7
289.08530	2.9
290.09189	2.6
291.07001	3.8
291.10138	25.0
292.10931	5.8
293.08234	3.1
293.11700	5.5
295.09860	3.1
297.07733	2.0
297.11121	4.6
303.10062	3.5
305.08176	2.5
307.09634	11.2
308.10349	5.3
309.11142	8.2
319.09662	4.9
320.10400	3.1
321.11243	4.6
337.10651	5.1
355.11743	3.7
395.10934	2.2
423.10580	8.1
447.14169	3.7
451.13907	4.8
463.13922	2.8
469.11905	2.2
497.16226	2.3
523.15833	3.0
603.20270	2.7
605.21320	9.3
617.21179	3.3
621.21216	2.7
623.22589	2.3
633.21051	12.1
635.22760	14.1
645.20868	6.2
651.21881	5.8
663.22131	13.8
669.22742	2.4
681.23187	24.5
699.24432	25.6
708.92261	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	717.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20290	1.1
52.63461	1.3
55.01871	4.4
63.12975	1.1
65.03938	3.2
67.05496	1.8
69.83835	5.7
79.05480	3.8
81.03442	7.7
81.07055	2.1
91.04990	1.3
91.05481	8.7
93.07049	2.2
94.04189	4.1
95.04998	2.7
98.20818	1.5
103.05475	5.1
103.70158	1.1
105.07032	3.4
107.04963	6.4
108.05727	1.5
109.02922	1.3
109.06502	2.0
111.04473	1.6
111.93464	1.3
115.05451	8.0
117.07030	4.7
119.04925	1.7
121.02804	2.7
121.06493	3.2
122.03658	6.5
123.04430	5.6
128.06258	8.8
129.07027	17.8
131.04935	10.7
131.08595	2.7
131.52954	1.3
132.05678	2.1
133.06546	1.9
135.04440	3.5
136.05191	4.5
137.02348	2.9
137.05980	85.1
138.06693	1.5
141.07011	3.6
143.04935	3.3
143.08604	3.0
144.05688	4.8
145.06485	27.6
146.07263	6.1
147.04362	3.0
149.06018	1.8
151.03938	8.2
151.07550	62.7
153.07039	1.4
155.04927	1.8
155.06067	2.9
156.05701	1.9
157.06500	22.5
158.07281	9.7
159.04390	3.7
159.08057	13.3
160.05208	4.5
160.08830	2.4
161.05995	7.6
162.06775	3.0
163.07565	4.9
165.05490	3.7
165.06940	1.9
169.06525	2.1
171.04376	2.2
171.08069	5.6
172.05130	1.3
172.08839	29.6
173.05975	15.1
174.06776	10.6
175.04002	1.9
175.07562	21.0
176.08301	4.9
177.05479	2.2
177.09093	10.2
179.07063	13.6
179.08507	2.5
181.06448	2.2
182.07329	3.1
183.08018	2.0
184.05130	1.5
185.05998	3.0
186.06728	2.0
187.07576	13.9
188.08339	28.8
189.01682	1.3
189.09117	100.0
191.06935	1.9
191.08618	1.6
191.10663	3.5
192.13483	1.4
195.08109	4.5
196.08913	2.8
197.06049	2.9
197.09653	1.6
198.06781	1.8
199.07623	3.5
200.08337	4.1
201.05435	2.1
201.09111	43.1
201.10983	2.5
202.09837	7.2
203.08850	2.2
203.10669	61.9
205.08606	5.7
207.08174	3.2
208.08908	2.2
211.07619	2.5
212.08247	1.7
213.05431	1.5
213.09076	8.1
215.06989	2.5
215.10683	6.6
216.07864	4.1
217.08638	4.1
218.07298	2.1
219.08006	5.7
219.10185	8.9
220.08780	3.0
221.09523	3.1
224.08235	2.1
225.05608	2.4
225.09148	2.4
226.09882	2.1
227.10617	3.1
229.04959	6.9
229.08609	2.0
231.08171	2.8
231.10170	66.9
232.08807	3.0
233.05980	1.9
233.08022	3.2
234.06825	2.3
235.07527	5.1
236.08331	1.8
237.09076	1.6
238.09863	2.2
239.06979	2.4
239.10622	5.7
240.07693	1.6
241.08461	2.0
247.07538	5.4
248.08286	3.1
249.05583	1.8
249.09006	3.0
249.11269	18.6
250.09874	2.2
251.07014	2.4
251.10687	3.9
255.10129	2.5
257.11725	2.0
261.09140	3.4
262.09949	2.0
263.07059	4.5
263.10504	6.9
264.07822	2.3
265.08389	2.7
266.09329	1.9
267.06516	2.7
267.10187	4.2
269.11667	2.1
275.06781	2.0
276.07956	1.6
277.08615	6.6
278.09357	2.1
279.06863	2.0
279.10104	7.4
280.10889	3.2
281.08292	1.4
281.11673	2.6
289.08728	2.2
290.09299	3.7
291.07001	2.4
291.10162	17.2
292.07541	1.7
292.10864	4.7
293.08282	3.3
293.11761	3.4
295.09473	2.5
297.11249	2.1
303.10168	1.6
307.09671	11.2
308.10486	2.8
309.11258	7.0
319.09448	6.0
320.10583	1.7
321.11261	3.2
322.58493	1.3
323.09158	2.9
325.10687	3.0
335.08963	1.4
337.10666	5.0
338.11758	1.3
355.11923	2.5
403.11362	2.1
423.10880	6.3
435.13754	1.8
447.14496	2.9
451.14413	1.6
459.14478	2.9
463.13852	2.0
475.13910	1.6
487.13788	1.4
497.15860	2.8
505.15128	2.1
527.17053	1.4
561.17224	1.5
603.20551	3.0
605.21362	4.9
615.20789	2.7
617.20868	1.5
621.21637	1.9
633.20947	5.1
635.23071	6.3
645.21100	4.6
651.21857	4.3
663.22211	10.5
681.23236	20.5
699.24231	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08139	0.6
81.03468	0.6
86.53001	0.7
135.04448	0.6
137.06087	0.6
151.03909	0.6
151.07571	2.8
171.80478	0.5
189.09178	1.1
203.10773	0.8
245.13354	0.5
247.80156	0.5
309.11749	0.5
352.01230	0.7
362.19006	0.6
396.06210	0.6
396.39346	0.5
637.47272	0.6
713.31641	0.6
715.33057	100.0
716.33234	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	716.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01872	1.3
55.05501	0.6
64.85175	0.5
65.03937	0.7
69.03442	1.0
69.07079	0.6
70.06577	2.4
70.49976	1.1
70.50342	1.0
70.55017	0.5
72.08144	0.8
78.40759	0.6
79.05507	0.8
81.03440	3.0
81.07077	1.0
81.93638	0.5
83.05033	0.6
84.08146	1.7
85.02908	2.0
86.09733	1.4
88.63316	0.6
91.05502	4.6
93.03427	0.6
93.07040	1.0
94.04195	2.2
95.04955	1.6
95.08038	0.6
95.08597	1.0
97.02927	0.8
97.06554	1.4
103.05483	2.0
105.07050	1.8
107.04967	0.8
107.08604	0.9
109.02866	0.8
109.06528	0.7
109.10155	0.6
115.05457	2.0
116.07079	0.8
117.03391	1.2
117.07043	0.9
119.04962	3.6
119.08636	0.6
121.06519	0.7
122.03654	4.8
123.04473	0.6
127.03960	1.1
128.06232	0.8
129.07018	3.2
131.04947	3.1
133.06482	1.0
135.04440	1.1
137.05995	100.0
138.06335	1.2
143.04955	2.7
143.08585	0.5
144.05740	0.6
144.48715	0.6
145.02870	2.3
145.06506	1.1
147.04446	1.9
149.05968	4.0
151.03932	2.4
151.07565	16.1
153.05492	0.8
153.07068	0.6
157.06499	2.6
159.08092	0.8
160.05217	4.1
161.05991	4.7
162.83549	0.6
163.07570	4.0
167.04976	0.6
167.07062	0.5
169.06517	0.7
171.08061	0.7
172.05211	1.0
173.06050	0.8
174.06779	0.8
175.07573	32.5
177.05490	6.8
177.09196	0.7
178.05830	2.1
179.05724	0.7
179.07082	1.7
181.05048	0.7
181.06514	1.3
184.05333	0.6
187.07561	11.9
189.09155	3.5
191.08661	0.6
193.06714	0.6
194.07129	0.7
199.07565	19.0
200.07797	0.6
201.09088	0.6
202.07904	0.8
203.08673	1.6
205.08635	12.4
210.06793	0.7
211.07626	2.1
213.09175	1.9
215.10680	0.6
217.08624	2.7
219.08139	1.1
221.06035	1.2
224.08368	0.6
225.09232	0.6
229.08722	1.7
231.08130	2.0
235.09689	9.2
237.09064	1.1
241.08522	1.0
243.08286	1.1
247.07680	0.6
248.08305	1.0
249.09126	2.5
250.06201	0.6
251.10722	1.0
253.08578	1.6
255.08179	0.7
259.09750	3.4
261.09232	1.4
262.09937	0.7
263.10706	2.6
265.08643	1.7
271.91046	0.7
273.11450	0.6
275.10635	1.0
276.07654	0.7
277.08737	1.4
277.12253	0.5
279.10135	0.8
283.09723	1.5
285.11371	3.2
287.39450	0.6
288.07697	0.8
290.09381	0.6
291.10223	7.4
292.11029	0.7
294.08850	0.6
295.09659	0.8
297.11325	2.4
303.10190	2.5
305.11713	2.1
307.09631	1.4
308.10324	0.9
309.11331	1.7
311.12802	1.6
315.10181	0.9
320.10559	0.9
321.11313	4.5
322.12164	0.6
322.84506	0.7
323.12827	11.7
332.10370	1.0
333.11224	1.2
335.12848	10.9
337.14395	1.2
347.12909	4.0
351.12372	2.1
353.13885	4.8
365.13971	6.6
369.13541	1.0
377.13889	0.9
383.14941	10.4
395.14713	1.1
418.14212	2.2
421.16486	0.9
431.14761	0.7
439.15424	0.9
447.17981	1.8
457.16327	1.4
459.18073	13.6
466.16513	0.6
471.18216	3.9
483.17767	1.0
489.19165	13.1
501.19095	2.8
507.20258	13.7
519.20135	5.4
537.20691	0.7
647.52179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.3
53.03936	2.2
55.01881	6.6
55.75474	0.8
62.03922	0.7
63.54237	0.8
65.03928	2.3
68.99785	2.3
70.22506	1.7
70.22910	1.9
77.03918	1.4
79.01831	1.1
79.05506	5.1
81.03414	6.0
83.04982	1.6
91.05481	5.5
91.78591	0.7
95.04951	3.1
100.03446	0.8
103.05454	5.1
104.06243	0.9
105.03394	2.1
105.04527	1.4
105.07025	1.3
107.04979	6.4
108.05746	1.9
109.02866	1.1
111.04455	2.0
115.05454	9.3
117.07031	6.6
118.33138	0.9
119.04944	1.7
121.02883	3.2
121.06492	3.2
122.03674	1.2
123.04440	4.8
128.06224	8.2
129.07014	15.7
131.04938	11.0
131.08626	1.6
132.05748	1.7
133.06580	1.8
134.03587	1.2
135.04424	100.0
136.05212	4.7
137.02393	1.3
137.05984	1.5
138.06702	1.5
139.05434	1.1
141.06999	2.4
143.04912	4.5
143.08582	2.5
144.05681	2.3
145.06493	28.0
146.07274	5.9
147.04399	2.3
147.08107	1.1
149.02350	10.3
149.05966	1.9
151.03960	3.0
151.07555	73.0
151.20670	0.8
153.06978	1.5
155.06117	1.8
155.08540	1.4
156.05695	2.7
157.06502	21.7
158.07289	10.3
159.04417	5.3
159.08076	12.3
160.05222	3.0
160.08836	3.6
161.05984	10.0
161.09537	1.1
162.06769	1.3
163.03943	1.9
163.07585	1.1
165.05463	4.7
165.06830	1.7
167.03450	1.0
167.08580	1.3
167.11948	0.7
169.06488	2.9
169.07753	1.6
170.07263	1.1
171.04388	1.5
171.08078	5.0
172.05208	0.9
172.08836	29.6
173.06006	24.4
173.09589	2.4
174.06778	9.7
175.03896	1.7
175.07588	9.7
176.08345	5.5
177.05574	0.8
177.09111	8.7
179.07076	14.0
179.08556	2.5
181.06448	1.3
182.07289	3.5
183.08043	2.6
184.08891	1.0
185.06017	7.9
186.06789	2.3
187.05917	0.9
187.07549	17.4
188.08328	30.4
188.10023	1.6
189.09119	93.9
190.09485	1.3
191.07036	1.1
191.08669	1.7
191.10678	4.5
195.08092	2.1
196.08859	2.7
197.05995	2.4
198.06764	1.8
198.10312	1.0
199.07535	3.3
200.08316	4.5
201.05432	2.8
201.09111	44.9
202.07988	1.9
202.09866	9.4
203.07027	8.1
203.08778	2.3
203.10674	65.2
205.06688	1.5
205.08611	3.9
206.07243	1.1
207.08107	4.2
208.08807	1.9
209.05861	1.9
209.09669	1.7
210.06758	1.0
211.07549	3.6
212.08392	2.8
213.05557	1.1
213.09137	10.5
214.06227	1.1
214.09827	1.5
215.07040	2.8
215.10658	5.8
216.07840	3.3
217.08600	3.0
218.07288	2.8
219.08046	6.5
219.10179	6.5
220.08876	2.5
221.06073	1.1
221.09575	2.7
221.11612	1.6
223.07544	2.4
224.08429	1.1
225.05527	1.2
225.09111	5.0
226.09824	1.7
227.07060	1.5
227.10532	4.1
229.04965	4.0
229.08629	3.6
229.12167	1.5
231.08189	3.6
231.10168	69.4
232.08847	2.7
232.10860	1.0
233.06026	1.4
233.07893	5.6
234.06714	2.3
234.10255	1.1
235.07500	5.8
236.08298	1.6
237.05554	1.8
237.09103	2.7
238.06323	0.9
239.10811	5.1
240.11446	1.2
241.08704	2.2
241.12297	1.3
243.10149	1.9
245.04236	1.2
247.07532	4.1
247.09763	1.1
248.08186	4.9
249.09048	2.9
249.11264	21.6
250.09938	1.8
251.07051	1.9
251.10689	2.6
252.07790	1.0
253.04897	1.2
253.08687	1.5
254.09273	1.3
255.06389	0.9
255.10164	2.8
257.11771	3.3
259.07535	1.0
260.08459	1.1
261.09122	3.2
262.09915	1.9
263.07040	3.2
263.10687	7.3
264.07797	2.7
265.08566	3.5
265.12286	1.2
266.09445	1.5
267.06522	3.0
267.10217	3.4
269.11716	2.4
275.06927	2.6
275.10468	0.9
276.07773	2.3
277.05478	1.2
277.08505	6.2
278.09402	4.7
279.06628	2.2
279.10172	5.3
280.10825	2.0
281.08243	1.2
281.11783	2.4
283.06107	1.0
289.08566	5.6
290.09335	3.0
291.06949	1.4
291.10101	17.7
291.13074	1.4
292.07492	1.3
292.10825	3.4
293.08087	4.1
293.11710	3.6
294.08859	1.6
295.09653	3.7
297.11163	1.7
303.10129	2.4
305.08124	2.4
306.08749	1.5
307.09607	10.4
308.10336	4.0
309.07861	1.0
309.11182	5.8
310.12067	0.9
319.06332	1.4
319.09515	5.7
320.10501	3.2
321.11084	4.0
323.09201	3.1
325.10693	1.6
337.10666	6.9
338.11459	1.7
339.12442	2.4
353.10175	2.3
356.12524	1.5
393.09756	3.0
401.10223	1.1
413.10056	1.2
421.09146	8.5
429.13327	2.7
431.11246	2.0
439.11478	1.3
441.13470	1.7
445.13150	3.9
447.14310	2.0
449.12308	3.8
457.12842	1.0
459.15082	1.1
461.12357	2.1
462.18393	0.9
479.15134	1.4
485.12576	1.1
495.14279	1.2
497.15683	1.8
503.13223	3.2
521.14813	1.1
541.15204	1.2
559.15790	1.3
577.17151	2.0
585.19073	1.7
601.18591	1.6
602.18695	1.0
603.20374	8.1
613.18353	2.4
615.19672	2.6
619.19482	1.7
621.20953	1.2
631.19879	9.2
633.21124	8.9
643.19550	4.2
649.20599	4.8
651.22113	2.3
661.20868	10.9
667.20691	0.9
679.21765	22.8
697.22833	20.4
698.21716	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
53.05611	0.7
55.01876	4.2
55.05519	0.9
62.18444	1.0
64.59322	0.9
65.03931	2.4
65.63010	1.0
68.99776	1.6
71.53002	1.0
77.03920	1.4
78.04706	1.0
79.05512	4.7
81.03421	5.7
83.04987	1.6
85.12830	0.8
91.05475	5.1
93.03413	1.3
95.04951	2.5
97.02883	0.9
99.55039	0.9
103.05485	6.9
103.23842	0.9
105.03371	2.3
105.04485	1.2
105.07024	2.7
107.04957	6.4
108.05742	2.5
109.02878	1.2
111.04427	1.4
115.05469	9.3
116.06210	1.3
117.07034	5.8
119.04975	1.1
120.78321	0.9
121.02851	3.3
121.06508	1.4
123.04419	3.2
128.06238	7.0
129.07021	10.2
131.04933	9.7
131.08571	2.1
132.05693	1.3
133.02756	1.1
133.06499	1.4
135.04428	100.0
136.05228	5.1
137.02333	1.3
137.05914	0.9
138.06734	1.2
139.91451	0.9
141.06993	2.7
142.53229	1.0
143.04912	4.2
143.08543	2.7
144.05717	3.0
145.06494	24.7
146.07300	4.9
147.04393	2.2
149.02377	7.8
149.05966	1.7
151.03912	2.8
151.07553	52.7
153.06926	1.5
155.04929	1.6
155.06047	1.7
156.05675	2.5
157.06502	18.4
158.07298	9.1
159.04454	3.8
159.08063	10.7
160.05185	2.6
160.08847	2.7
161.05998	7.1
162.06746	2.9
163.03925	2.7
165.05476	3.6
165.06966	3.2
169.06487	2.1
171.04395	1.7
171.08009	5.1
172.05194	1.5
172.08842	24.6
173.05997	18.4
174.06787	7.4
175.03946	2.6
175.07567	6.8
176.08308	4.4
177.09128	7.7
179.07062	19.9
179.08475	1.3
181.06439	3.0
181.09894	1.0
182.07263	3.3
183.08026	1.8
185.05983	7.3
186.06718	2.7
187.07547	13.1
188.08336	30.3
189.09120	79.7
190.07803	1.2
190.09442	1.2
191.08510	2.6
191.10675	4.6
195.08095	3.9
196.08803	2.4
197.05957	2.7
197.09625	1.1
198.06715	1.8
198.10553	1.0
199.03670	0.8
199.07518	2.7
200.08334	5.4
201.05457	3.7
201.09113	40.8
202.08086	1.6
202.09883	8.0
203.07047	8.1
203.10669	65.2
204.11003	1.0
205.06586	1.7
205.08565	2.1
206.07306	1.3
207.08081	3.2
208.08861	3.1
209.05936	1.3
209.09435	1.5
211.07539	2.8
212.08211	1.5
213.05530	1.2
213.09128	7.8
215.07047	2.7
215.10683	7.3
216.07820	3.0
217.08585	3.4
218.07222	1.8
218.09297	1.2
219.08076	7.3
219.10173	4.7
220.08784	2.1
221.06046	1.1
221.09575	3.3
222.06799	1.1
223.07605	2.5
224.08299	2.4
225.05470	1.6
225.09116	3.2
226.09879	3.4
227.10637	3.6
229.05046	5.7
229.08578	3.4
229.12242	2.5
231.08347	3.1
231.10176	66.6
232.08807	3.4
233.05988	1.5
233.07751	6.2
233.10022	1.4
234.06772	1.8
234.10431	1.2
235.07527	4.0
236.08270	2.5
237.05399	1.3
238.09895	2.4
239.10693	4.8
240.08194	1.0
241.04971	1.3
241.08646	2.1
241.12245	3.0
242.09709	1.1
243.10219	1.7
247.07600	5.2
248.08322	5.8
249.09021	6.2
249.11247	12.0
250.09911	2.1
251.07089	2.5
251.10712	3.8
253.12222	2.1
254.09177	1.2
255.10161	3.4
257.11731	2.2
260.08295	1.5
261.09082	3.5
262.06613	1.1
262.09930	3.4
263.07019	3.7
263.10666	9.8
264.07788	2.4
264.11475	2.1
265.08514	4.5
265.12357	1.5
266.09351	2.7
267.06561	1.6
267.10110	3.5
269.11725	1.7
275.07117	1.5
275.10648	1.3
276.07742	2.2
277.08652	6.7
278.09250	4.6
279.07056	1.3
279.10144	6.7
280.10895	3.4
281.08035	2.2
281.11707	4.0
283.05920	1.0
289.08545	3.5
290.09320	3.4
291.10147	22.5
292.07709	1.0
292.10751	5.0
293.08099	4.2
293.11682	3.3
294.08835	1.3
295.09634	3.4
297.11237	1.9
305.08020	1.5
306.08630	1.6
307.09653	9.3
308.10431	4.1
309.07919	1.5
309.11206	5.5
309.14362	0.9
310.11914	1.2
319.09711	4.9
320.10434	2.4
321.11374	4.5
323.09158	2.4
325.10745	3.6
336.73138	0.9
337.10892	4.1
338.11340	2.0
339.12274	2.1
353.10190	3.3
356.12589	2.2
393.09592	3.4
411.12082	1.8
417.13434	1.1
419.11258	1.3
421.09262	7.9
429.13388	2.2
445.12860	4.8
447.14148	2.6
449.12415	4.2
457.12918	1.9
461.12308	1.6
473.11850	1.1
481.15695	1.1
497.16324	1.3
503.13409	3.2
509.15509	1.2
521.14661	1.6
541.14752	1.8
559.15540	0.9
577.17004	2.1
600.18048	1.5
601.18640	1.5
602.18951	1.0
603.20282	8.6
613.18445	1.1
615.19702	2.1
619.19128	1.7
621.21191	2.5
631.19818	7.8
633.21210	9.7
643.19720	6.9
649.20636	5.3
661.20667	10.8
667.21368	1.9
679.21869	21.0
697.22870	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	715.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.2
53.03934	1.0
55.01866	4.0
65.03937	1.5
66.01455	0.8
67.05500	2.6
68.99793	1.5
69.03405	0.9
70.63747	2.3
77.03933	1.3
78.04710	0.8
79.05498	6.0
81.03425	5.8
81.07049	1.0
83.04971	1.7
84.36340	0.7
89.03944	0.9
91.05484	5.8
93.03416	1.0
93.07040	1.0
95.04974	2.8
97.02881	0.9
103.05463	5.9
105.03378	2.0
105.04476	0.9
105.07027	1.7
107.04965	7.3
108.05774	1.3
111.04459	1.5
115.05465	8.2
116.06258	1.8
117.07037	5.9
119.04977	1.5
121.02879	2.3
121.06512	2.6
122.66788	0.8
123.04418	4.5
128.06259	6.7
129.07024	13.0
130.04147	0.7
130.07776	0.8
131.04927	12.1
131.08565	1.8
132.05766	1.4
133.06535	1.7
135.04428	100.0
136.05257	4.9
137.02336	1.2
137.06024	1.7
138.06764	1.1
141.07010	4.1
143.04935	6.1
143.08559	3.1
144.05717	4.0
145.06499	27.5
146.07312	4.2
147.04431	2.4
147.08067	1.4
149.02345	7.1
149.05984	1.3
151.03912	2.9
151.07553	49.8
153.06984	1.6
155.04880	1.8
155.06032	1.7
155.08487	0.9
156.05733	2.2
157.06508	17.7
158.07278	11.1
159.04437	5.5
159.08047	12.6
160.05231	2.4
160.08864	2.6
161.06007	8.9
162.06731	2.1
163.03929	3.1
163.07472	0.8
165.05504	6.0
165.06943	1.8
167.08606	1.0
168.05711	1.2
169.06525	2.8
170.07211	0.8
171.04440	1.2
171.08092	5.4
172.05278	1.6
172.08832	28.8
173.05991	24.3
173.09528	0.9
174.06805	8.9
175.03896	1.5
175.07541	7.8
176.08363	4.2
177.07004	0.7
177.07509	0.8
177.09106	8.2
178.07712	1.3
179.07066	17.1
179.08572	2.2
181.06529	2.2
182.07269	3.3
183.08063	1.6
184.05081	1.2
185.06007	8.4
186.06792	2.4
187.07568	12.4
188.08344	29.3
189.05510	2.6
189.09116	94.6
190.09511	1.2
191.06993	1.5
191.08589	1.8
191.10706	3.1
193.06561	1.2
194.07324	1.1
195.06590	1.2
195.08076	4.0
196.08821	1.7
197.05998	2.2
197.09665	1.0
198.06833	1.9
199.03949	0.9
199.07640	2.0
200.08374	6.5
201.05527	4.2
201.07631	0.6
201.09123	46.4
202.09906	8.4
203.07030	6.6
203.10681	74.6
204.11005	1.0
205.06543	2.5
205.08659	2.6
206.07315	1.5
207.08051	4.0
208.08846	2.4
209.06035	1.9
209.09648	2.4
211.07550	2.3
212.08357	1.6
213.05594	2.2
213.09131	9.7
214.10016	1.0
215.07065	3.6
215.10629	7.8
216.07848	3.2
217.08652	3.2
218.07285	2.5
218.09210	1.0
219.08086	7.2
219.10223	5.4
220.08798	2.0
221.06114	1.7
221.09622	2.7
222.10321	1.1
223.07538	2.7
224.08350	2.5
225.05524	1.2
225.09193	3.1
226.06218	1.1
226.09955	2.2
227.07085	1.4
227.10649	3.7
229.05026	6.6
229.08664	2.3
229.12218	1.0
231.08176	3.1
231.10176	73.9
232.08824	2.6
232.10873	1.0
233.06006	1.4
233.07834	5.3
234.06776	1.5
234.10509	1.9
235.07541	6.8
236.08302	1.6
237.05548	1.3
237.09134	1.7
238.06349	1.1
238.09889	2.4
239.06998	1.2
239.10652	4.7
240.07906	1.2
241.08620	2.7
241.12306	2.0
242.09377	1.4
243.10301	1.8
246.06834	1.1
247.07565	6.2
247.09801	1.2
248.08463	4.3
249.05426	1.0
249.09071	3.4
249.11296	13.6
250.06087	1.0
250.09927	2.2
251.07080	1.9
251.10744	4.4
253.08656	1.9
253.12323	1.4
254.09418	1.3
255.06419	1.0
255.10245	3.6
257.11896	2.8
259.07736	1.3
260.08383	1.7
261.09174	3.6
262.09995	2.9
263.06943	3.9
263.10675	5.6
264.07846	3.2
264.11456	1.0
265.08670	3.0
265.12128	0.9
266.09448	1.1
267.06625	2.7
267.10260	3.4
269.11685	1.6
275.07101	3.1
275.10507	1.3
276.07800	2.2
277.08627	6.0
278.09363	4.8
279.06842	1.8
279.10208	5.3
280.10779	1.9
281.08554	1.2
281.11844	3.9
289.08545	3.6
290.09393	3.1
291.06998	1.6
291.10162	14.5
292.07581	0.8
292.10944	3.0
293.08133	3.4
293.11810	4.5
294.08844	1.5
295.09735	2.5
297.11270	1.7
303.10062	1.0
305.08026	2.1
306.09106	1.4
307.09647	11.1
308.10376	4.4
309.08011	1.4
309.11319	5.7
310.12073	1.3
319.09692	4.9
320.10614	1.9
321.08023	1.0
321.11160	3.6
323.09158	2.3
325.10776	2.4
337.10663	4.6
338.11871	1.8
339.12329	1.5
353.10294	3.3
355.12079	1.3
356.12729	2.3
393.09851	3.5
401.10196	2.2
411.11551	1.1
413.09814	1.3
419.11536	1.7
421.09146	9.5
429.13504	1.7
441.13718	0.9
445.12857	5.6
447.14749	1.0
449.12473	3.0
461.12607	2.5
466.44357	0.8
479.15237	1.0
487.13977	0.9
497.15796	1.2
503.13266	4.1
521.14484	2.5
541.15015	1.6
559.16248	1.7
569.16040	0.9
573.19507	1.9
577.16968	2.6
585.19446	1.0
601.18243	1.9
603.20166	7.4
613.18671	1.5
615.19824	2.5
617.18408	0.9
619.19562	2.1
625.30817	0.9
631.19617	8.6
633.21240	8.2
643.19910	5.6
649.20935	3.6
661.20569	10.3
667.21619	1.2
679.21826	22.5
697.22870	17.7
731.02460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88454	1.8
55.05504	6.2
56.05042	4.7
57.07075	3.9
67.05508	10.8
69.07084	10.5
69.12760	1.7
70.06599	2.3
70.76393	1.7
71.08643	3.1
71.52514	2.0
79.05496	10.0
80.05020	3.1
81.07061	15.0
82.06576	6.4
83.08614	4.6
85.02893	4.4
91.05467	4.7
93.07042	11.2
94.06120	2.0
94.06590	19.2
94.79832	2.3
95.07363	9.3
95.08604	8.6
96.08100	4.7
97.10193	2.7
105.07034	5.4
107.08607	7.9
108.08086	2.2
109.10146	4.6
117.07047	1.9
119.08588	5.8
119.93029	1.7
121.10155	4.6
122.09642	1.9
133.10129	2.8
135.11734	4.0
182.35100	1.9
233.22554	2.6
245.22653	2.4
250.25278	6.1
253.36078	1.9
260.57162	2.0
262.25333	100.0
272.25824	6.4
280.26407	5.5
504.47589	7.1
516.47833	32.9
518.49268	6.1
534.49066	25.3
603.46136	3.3
696.53564	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	714.5518
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03940	1.1
55.05519	6.0
56.05050	4.5
57.07080	3.0
58.02955	0.4
58.06597	1.0
60.04530	2.2
62.61322	0.3
65.03938	0.7
67.04247	0.4
67.05512	12.9
68.05016	1.0
69.03425	1.1
69.07072	7.1
70.06586	2.6
71.08630	1.8
75.05650	0.3
79.05502	10.5
80.05024	2.9
81.03416	0.6
81.05792	1.3
81.06594	0.6
81.07065	10.7
82.06585	7.1
83.08620	4.8
85.02916	2.0
85.10190	1.0
86.06090	0.4
91.05486	8.4
93.05813	0.6
93.06487	0.6
93.07056	10.3
94.06577	18.5
95.04957	0.6
95.07358	8.2
95.08612	7.3
95.09183	0.2
96.08147	5.5
97.02879	1.6
97.10172	2.5
98.06047	0.5
105.04503	0.5
105.07037	5.4
106.16002	0.3
107.07362	0.4
107.08591	4.8
108.08128	3.2
109.02852	0.3
109.10153	3.8
111.11710	0.8
117.06998	0.4
119.08586	5.7
121.08875	0.6
121.10153	5.4
122.09673	2.5
123.11732	1.2
133.10144	3.9
133.28658	0.3
135.10526	0.8
135.11694	3.8
136.11232	0.7
137.13289	0.7
138.29974	0.3
140.57518	0.3
147.11679	1.5
149.12097	0.4
149.13264	1.0
150.12711	0.4
161.13249	0.4
161.32753	0.3
163.14888	0.5
175.14755	0.4
186.09900	0.3
193.19484	0.4
219.21181	0.7
233.22682	3.3
234.22289	0.4
245.22653	4.6
250.25319	8.4
254.24834	1.4
262.25323	100.0
263.25653	1.4
272.25851	5.1
272.28589	0.5
280.26346	6.1
282.24344	0.4
296.25821	0.4
310.27539	0.5
312.25269	0.6
314.26920	0.6
376.24771	0.3
486.46564	0.5
502.46942	0.5
504.47763	6.3
516.47815	32.8
517.48151	1.5
518.49402	5.1
528.34399	0.4
534.48840	21.2
535.48962	0.6
571.98608	0.4
696.54095	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	714.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	19.1
57.03440	19.6
67.05511	95.2
69.07074	23.5
69.35083	22.5
69.35510	31.7
77.84605	6.7
79.05508	35.8
81.07072	89.0
83.08635	10.4
91.05464	33.8
93.07057	59.5
95.08616	64.8
97.06570	9.0
97.10193	9.1
105.07046	35.1
107.08611	43.7
109.10151	70.0
117.06998	10.9
119.08569	38.2
121.10167	31.1
131.08582	16.8
133.10152	11.9
135.11700	18.0
145.10129	12.8
147.11708	11.8
149.13278	17.0
150.27898	8.5
157.10199	8.6
159.11714	18.4
161.13335	9.9
165.12744	9.5
171.11758	7.3
173.11760	12.0
173.13191	9.4
184.07367	28.2
227.13092	7.3
229.14377	100.0
239.16357	14.5
241.17953	9.7
259.20493	9.8
261.22156	29.4
335.25833	90.8
425.33752	8.6
489.35876	62.5
499.37628	19.9
517.38971	61.0
714.47882	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	714.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	20.0
57.03438	12.0
64.29541	7.1
64.98570	7.2
67.05238	7.3
67.05517	82.9
69.07059	23.7
71.52390	13.4
74.24410	7.2
79.05509	38.9
81.03372	9.0
81.07054	59.1
83.08633	21.7
89.19720	7.4
91.05495	35.3
93.07069	45.2
95.08588	39.6
96.42839	7.9
97.10176	11.7
97.58191	7.4
105.07021	27.4
107.08584	19.3
109.10152	64.1
115.23926	7.9
119.08591	20.1
121.10132	25.0
131.08553	9.8
133.10126	20.7
135.11694	17.1
145.10138	16.9
147.11668	14.7
159.11688	10.5
165.45781	7.9
173.11696	21.3
173.13188	13.5
184.07431	12.4
225.77934	7.6
229.14369	100.0
239.16518	9.3
261.22202	19.6
262.25323	13.5
335.25833	69.4
489.36075	47.4
499.37958	12.1
517.38824	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.5
53.03949	0.7
55.01867	1.2
55.05516	1.3
57.03444	2.9
57.07088	3.6
59.05011	3.8
59.07981	0.5
61.02923	2.0
63.23271	0.5
65.03944	1.6
67.05511	21.8
69.03436	17.0
69.07063	1.4
69.24604	4.0
69.25021	1.3
70.06590	0.7
70.34040	0.6
71.05001	11.6
79.05067	0.4
79.05493	11.2
81.03417	2.5
81.07060	5.6
83.04977	2.3
83.08636	0.6
83.12417	0.5
84.08120	0.7
85.02915	14.3
85.06549	15.7
87.04481	3.7
88.50998	0.6
91.03967	1.3
91.05486	7.3
93.07055	5.5
95.04977	28.4
95.08616	4.8
97.02908	4.5
97.05930	0.6
97.06537	9.3
99.04494	0.8
99.08106	0.8
101.02319	0.5
101.06025	1.2
105.07040	14.3
107.04987	1.1
107.08604	40.6
109.02883	2.0
109.06525	1.8
109.10169	1.4
111.04455	0.5
111.08074	0.6
113.06016	89.7
117.07032	4.5
119.08591	6.5
121.06525	1.0
121.10149	4.3
123.08086	0.7
127.03941	4.5
129.06995	2.6
130.07806	1.0
131.04926	0.6
131.08580	15.3
133.06496	0.7
133.10133	6.6
135.04466	1.3
135.08076	1.3
135.11702	2.3
137.05997	2.0
141.06937	0.9
143.08568	7.7
145.04980	4.8
145.06538	0.6
145.08620	16.8
145.10139	23.6
145.11288	1.2
147.04460	0.7
147.08072	1.3
147.11711	10.8
149.06038	1.0
149.09633	3.5
149.13251	1.5
151.07596	0.9
155.08551	2.2
157.10139	5.1
158.07263	0.7
159.08081	1.6
159.11705	9.2
161.09639	4.7
161.13301	1.5
163.03967	1.1
163.06027	1.0
163.11182	2.2
163.14957	0.6
165.12750	2.0
167.08409	0.8
169.10133	1.9
171.11694	3.8
173.09642	18.5
173.13237	2.7
175.07570	0.8
175.11212	5.6
177.09103	0.6
177.12775	2.4
179.10692	1.1
181.10112	0.8
183.11734	1.6
185.13301	2.0
187.11215	3.3
187.14809	1.3
189.07523	1.1
189.09148	0.9
189.12781	1.3
191.10675	11.5
191.14297	3.1
195.11717	1.2
197.09554	0.7
197.13206	1.4
199.14790	1.0
201.12613	0.7
203.10672	1.0
205.12114	0.7
209.13408	0.7
209.15381	1.3
211.11171	0.7
211.14743	0.6
213.12796	0.7
215.10713	2.2
215.14351	0.8
221.13252	0.9
225.12750	0.8
229.12228	1.0
235.14879	0.9
249.16556	0.8
251.18118	0.8
253.19519	12.8
261.14850	0.8
271.20572	11.6
277.19458	0.9
289.21628	3.2
291.21118	1.4
293.22507	0.6
295.20700	0.6
301.19684	0.8
309.22195	3.0
319.20602	6.1
337.18634	0.4
337.21625	19.3
355.22714	29.8
356.23117	0.6
373.23767	78.7
374.24026	1.1
391.24811	100.0
392.25119	2.1
409.25888	11.3
410.26108	0.6
424.21829	0.6
460.03366	0.6
488.21765	0.7
622.52234	0.6
714.33783	13.8
715.34796	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01866	0.3
57.03436	0.7
58.06594	0.4
61.02926	1.0
67.05517	0.4
69.03435	3.5
69.41467	2.6
70.06595	0.6
73.02911	0.8
79.05511	1.0
79.14845	0.3
81.03437	1.8
82.06612	0.4
85.02918	3.4
87.04475	0.7
91.05482	1.1
93.05798	0.3
93.07053	1.5
94.06579	2.7
95.04978	0.3
95.07333	0.7
96.08144	2.2
97.02904	2.1
99.04468	0.4
103.05422	0.4
105.07068	0.4
107.07342	1.0
108.08125	5.2
109.02908	0.9
109.08911	0.3
110.09680	3.8
117.06943	0.4
120.04501	1.3
120.08131	4.8
122.06042	6.1
122.09679	3.4
124.07586	0.9
127.03954	1.0
132.08092	0.8
134.06024	0.7
134.09647	0.5
135.04440	0.8
136.07584	9.4
137.06003	0.5
138.05508	0.6
138.09146	7.6
144.04550	0.3
145.02870	0.6
146.06046	0.8
147.04448	0.5
148.07573	5.3
150.05553	0.6
150.09152	6.3
151.03943	0.8
152.07066	1.2
160.03993	0.4
160.07509	0.4
162.09175	0.4
163.03952	0.4
164.07108	1.4
166.08653	15.9
167.07104	0.5
168.10197	0.7
172.03976	0.9
174.05392	0.4
176.10783	0.7
177.05498	0.7
180.10222	0.9
182.11795	0.4
190.05020	0.9
191.07100	0.4
192.06573	0.4
194.08226	1.4
196.09885	0.5
197.10690	0.7
199.12408	0.4
204.06667	0.4
207.06754	0.6
209.10753	0.7
211.08643	0.4
211.12309	0.5
212.09242	0.4
213.10213	0.9
221.10736	0.4
223.08775	1.0
223.12352	1.3
224.09410	0.8
225.10211	3.7
226.10973	0.6
227.11711	1.6
232.10036	0.4
233.10768	0.8
234.11575	0.6
235.08690	1.7
235.12395	0.9
236.09485	1.3
237.10226	8.0
238.11003	1.5
239.08231	0.8
239.11797	3.9
241.09793	0.7
247.08765	0.5
248.09407	2.2
248.87070	0.4
249.10252	6.2
250.10974	2.7
251.08160	2.1
251.11842	6.7
252.08987	0.7
252.12564	1.8
253.07248	0.2
253.09760	5.7
253.12866	0.6
254.10475	0.8
255.11296	3.1
261.10187	4.6
262.11078	1.4
263.08011	0.5
263.11847	5.2
264.09024	0.6
264.12735	0.5
265.09747	11.9
265.13315	1.1
266.10587	1.9
267.08334	0.5
267.11322	7.0
267.14340	0.4
268.12094	0.8
269.09134	0.8
269.12695	0.8
271.10895	1.3
273.12515	0.5
275.08212	0.4
276.08966	0.5
277.09787	3.1
278.07178	0.6
278.10577	4.6
278.13342	0.4
279.07864	2.1
279.11285	13.4
280.08838	0.6
280.12106	2.8
281.09296	2.4
281.12915	2.4
282.10141	1.1
283.10883	5.2
283.14194	0.6
284.11667	0.7
285.12439	1.4
287.14053	0.9
289.09717	10.0
289.12930	0.5
290.10495	1.1
291.11304	4.2
292.08554	0.6
292.11914	0.6
293.09277	5.3
293.12915	4.6
294.10077	3.6
294.13281	0.5
294.73434	0.4
295.10852	3.9
295.14133	0.6
296.11588	2.6
297.09079	0.6
297.12436	3.2
298.09729	0.7
298.12900	0.7
299.10397	1.2
299.13904	0.5
305.09314	0.6
306.09995	1.1
307.10785	5.3
308.11694	1.5
309.08920	0.5
309.12277	4.8
310.13171	1.0
311.10339	5.6
311.14001	2.5
312.11038	3.3
313.11792	2.7
314.12836	1.2
315.13696	0.4
317.09451	1.6
319.10764	0.6
321.08939	0.6
321.12460	1.1
323.10349	2.0
323.14008	2.4
324.11105	2.0
325.11804	4.1
326.12625	2.9
327.13385	5.6
328.14377	0.7
329.15277	0.4
335.10272	17.9
336.10922	0.7
337.11795	3.1
339.13409	41.6
340.10635	2.8
340.14182	1.0
341.11435	4.4
341.15073	1.0
342.16104	0.5
349.11923	0.7
352.10620	1.1
353.11334	11.2
354.12085	4.4
354.16080	0.5
355.12903	15.5
355.17307	0.8
356.13632	0.6
367.12909	35.7
368.13461	1.1
371.12399	0.7
372.17053	0.6
398.19302	0.4
399.15598	0.5
400.16565	0.7
402.18054	0.7
404.19830	0.6
414.18399	0.8
418.17639	0.9
420.19229	0.4
430.17920	0.5
432.19208	1.3
442.17737	1.1
444.19547	0.7
451.21701	0.4
459.18018	0.5
460.18723	4.2
470.17303	1.2
472.18765	1.0
474.20438	1.2
478.19855	1.4
479.20755	0.6
488.18216	21.0
489.18576	0.8
492.21509	1.6
502.19742	0.8
506.19250	15.2
507.19601	0.8
520.12933	0.8
520.20819	16.6
534.18402	1.4
548.20355	0.7
552.22888	0.7
604.22388	0.4
622.24097	1.2
632.22363	1.2
650.23517	12.8
651.23920	0.6
654.26434	1.1
664.24213	0.8
682.26080	100.0
683.26422	4.0
714.29181	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.7
55.05513	1.5
64.88065	1.1
65.03938	1.8
67.05502	1.9
69.07071	2.2
69.48368	2.6
69.48778	7.0
75.93580	1.3
79.05501	4.5
81.03417	4.7
81.07051	2.9
91.05485	5.5
93.03422	1.6
93.07058	2.3
94.04189	2.5
95.04994	1.8
95.08611	2.6
103.05464	6.6
105.07048	2.5
107.04963	2.1
107.08620	1.6
109.10205	1.7
115.05466	16.3
115.36452	1.1
116.06317	1.5
116.07080	2.6
117.07026	16.6
119.04922	1.3
122.03690	5.8
123.04436	6.1
128.06248	4.6
129.07016	16.5
131.04935	11.9
131.08559	1.7
133.02907	2.6
135.04428	22.4
136.08730	2.3
137.02341	2.6
137.05988	71.7
139.05417	3.1
141.07001	2.6
143.04922	6.0
145.06511	26.9
146.51762	1.1
147.04431	2.5
149.02370	3.1
151.03943	10.8
151.11151	1.7
153.07007	2.8
155.04871	1.7
155.06097	2.2
156.05719	1.4
157.06497	13.5
159.04417	6.3
160.05243	6.6
161.05972	13.9
163.03928	4.6
163.07521	1.2
165.01839	2.3
165.05609	2.3
165.07016	5.3
167.03421	1.1
167.04831	2.8
168.05769	1.6
169.06512	2.6
171.04468	1.9
172.05226	4.9
173.05994	100.0
174.06691	4.0
175.03944	12.3
175.07556	20.6
177.07088	2.3
179.08476	2.1
181.06517	4.8
185.05984	11.1
186.06775	3.5
187.07562	17.5
189.07051	5.1
189.09135	12.4
191.03444	6.8
191.08615	1.7
191.33939	1.2
192.04173	1.7
193.04964	3.5
193.06546	3.9
197.06015	8.8
198.06773	3.0
199.07562	4.1
201.05463	3.3
203.07034	15.9
203.08658	1.6
205.06541	9.1
205.08583	4.9
206.07193	1.4
207.08046	3.2
209.06024	3.8
211.07549	2.7
213.05525	2.9
215.07065	7.4
217.06548	5.2
217.08487	2.8
218.07370	2.2
219.08156	5.7
221.06035	2.9
222.06854	2.5
222.85883	1.4
223.07565	12.9
225.05447	2.4
227.07140	2.3
233.06021	7.0
233.08078	1.7
234.06755	3.2
235.07593	13.2
235.09659	2.0
236.08195	1.5
237.05493	4.8
237.09084	3.3
239.07098	3.8
247.07587	17.2
248.08333	1.7
249.05545	3.1
249.09187	2.8
250.06358	1.8
251.06967	8.3
253.04947	2.2
255.06500	2.9
259.07596	4.1
261.05518	2.9
262.06326	2.0
263.07040	28.5
264.07779	3.0
265.05057	2.2
265.08591	3.8
267.06439	2.1
269.08099	2.0
275.04288	2.3
275.07053	25.2
276.07877	4.0
277.05136	1.1
277.08606	5.4
278.05823	1.5
279.06534	3.9
281.08273	1.6
291.06567	21.3
291.09845	2.1
292.07294	6.6
292.26154	1.3
293.08057	8.2
295.09729	3.9
297.11108	3.0
303.06708	5.7
304.07388	4.0
305.08044	25.4
307.06207	2.4
307.09723	5.6
309.07489	3.1
309.11273	3.5
321.07611	13.8
322.08380	3.8
323.09100	2.5
325.10928	2.7
327.12439	1.5
332.09323	1.3
333.07559	4.2
334.08276	3.2
335.09186	20.3
351.08679	5.1
352.09454	5.4
353.10226	15.1
355.11911	1.5
369.13470	1.6
378.08606	1.6
395.09122	2.1
413.10187	1.9
433.11130	1.3
443.11224	1.9
463.12073	2.6
471.14142	1.9
473.12442	1.5
481.12787	5.7
493.13058	2.3
511.13751	2.1
523.13885	1.8
541.14630	2.3
569.15582	1.9
587.16992	2.9
589.18549	4.4
599.16986	8.1
617.18073	21.0
629.17810	2.2
635.18774	4.5
647.18744	9.7
665.19989	12.1
677.19720	2.4
695.21198	5.8
713.21722	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	713.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.01863	7.5
57.03419	8.6
61.02926	3.8
65.03930	5.4
67.01864	4.5
69.03425	6.8
69.59032	13.1
73.02898	2.7
81.03415	13.2
83.01340	3.1
85.02907	26.3
85.13655	2.3
87.00821	2.3
91.05465	2.5
93.03413	2.7
95.01311	6.8
95.66451	2.3
97.02895	12.2
98.80238	2.1
103.03951	3.1
105.03353	4.5
109.02899	12.2
119.04939	5.2
121.02874	22.3
123.04424	6.5
127.03909	7.0
131.04915	3.3
135.04453	4.8
137.02333	5.0
137.06007	3.3
139.03957	4.1
145.02831	4.1
145.06540	3.0
147.04396	7.0
148.29402	2.4
149.02292	5.0
151.03850	4.6
153.01849	9.4
159.02951	2.9
159.04387	5.3
161.02332	2.9
161.05992	4.6
163.03923	17.1
165.01854	5.4
165.05531	3.2
169.06487	3.4
171.04404	9.4
173.02411	4.0
173.05962	4.6
175.03868	12.9
177.01845	3.7
177.05458	5.5
179.03360	5.1
181.04936	6.5
181.06390	2.7
183.02879	2.6
183.04422	2.9
185.06036	6.4
187.03925	18.1
189.01791	7.8
189.05415	10.0
191.03316	7.5
193.04961	10.1
195.02847	4.5
197.06071	2.7
198.02965	2.5
199.03909	10.0
201.01878	2.5
201.05414	8.3
203.03300	6.6
203.06982	3.1
205.04980	15.9
207.06502	3.7
209.04428	8.6
211.03891	6.5
213.05429	9.0
215.03383	15.4
215.06842	2.3
217.05006	22.8
219.02876	6.3
219.06564	2.8
221.04463	18.0
223.03801	2.5
223.05898	3.1
225.05385	8.7
227.03468	7.6
227.07039	3.8
229.05052	18.7
231.02797	6.5
231.06738	11.9
233.04440	25.4
235.05893	13.0
237.05415	5.9
239.03415	8.9
239.07082	4.5
241.04942	15.1
243.06535	8.7
245.04404	13.4
247.05914	14.3
251.03304	3.6
251.05595	8.8
253.04947	8.6
255.06505	13.2
257.04431	24.7
259.05954	24.7
261.03772	3.4
263.05310	3.1
265.05002	14.1
265.08551	3.8
267.06555	8.7
269.04495	9.8
269.08405	2.5
271.06024	11.3
275.05222	3.3
277.07086	4.8
279.06552	8.9
281.04260	5.4
281.06931	2.6
283.06055	17.0
285.04001	2.7
287.05405	17.5
289.07300	3.3
291.06607	7.8
293.04398	6.4
293.07932	5.5
295.06018	10.5
297.07553	5.1
299.05475	12.6
301.07144	7.4
303.04953	100.0
305.06726	16.5
306.85376	2.5
307.06064	12.2
307.09091	2.3
309.07648	7.1
311.05563	15.5
317.06931	9.6
319.05954	7.8
321.07574	10.3
323.05597	13.5
323.08896	4.0
325.07016	12.1
329.06598	9.1
331.05890	6.4
333.07562	9.8
335.05423	7.1
335.08865	4.6
337.07260	11.1
339.08728	4.2
341.07086	4.3
343.05939	3.9
345.07544	8.0
347.05450	4.7
349.07059	19.7
351.08643	6.7
353.06671	10.0
355.08176	6.9
357.07736	4.0
359.05359	3.5
359.09116	2.8
361.07004	20.9
363.08704	11.0
365.06036	18.2
367.08322	15.7
369.07239	2.8
371.05270	4.9
373.06927	10.5
375.08664	9.5
377.06442	15.5
379.08191	25.2
383.10013	25.3
385.06958	9.4
386.07712	2.5
387.08798	4.8
389.06537	9.7
391.08124	20.9
393.09967	3.8
395.07669	32.6
397.07730	4.6
399.08759	7.0
401.06631	7.8
402.07159	3.1
403.08362	16.9
405.09671	7.0
407.07623	46.0
409.09244	17.9
411.08395	3.3
413.08868	17.3
415.08173	12.8
416.09174	2.6
417.05573	5.4
419.07581	22.6
421.09436	20.5
425.08768	33.0
427.08212	7.3
429.09445	3.8
431.07617	19.5
432.08484	2.7
433.09302	26.4
437.08707	28.7
439.08603	4.3
443.09784	52.1
445.09360	17.9
447.11450	4.3
449.08722	47.4
451.09753	7.7
455.09854	22.6
457.09259	12.1
461.08661	60.8
463.09964	7.5
465.10327	17.6
467.09805	34.0
469.09125	4.4
471.10919	2.6
473.08896	37.5
474.09360	3.4
475.10626	13.5
479.09744	60.2
485.08524	17.4
487.10220	8.7
491.09705	49.9
497.10812	54.9
499.10278	8.8
503.02774	3.2
503.09772	41.7
509.10815	53.1
511.10498	4.5
515.09979	23.8
517.10522	2.9
521.10754	46.6
527.11664	55.4
529.11609	3.1
533.10669	22.4
539.11761	49.2
545.12476	76.8
546.12939	3.0
551.11633	11.2
557.12805	69.7
563.11981	37.3
569.12750	14.8
575.12976	31.1
581.13007	61.1
587.11578	9.3
593.13019	32.7
599.13910	25.3
605.13019	18.1
611.13947	41.6
623.13977	41.0
629.14716	7.4
641.14948	37.1
647.15680	5.2
659.16284	28.7
677.16730	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	711.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.2
53.28655	1.1
55.01864	2.9
58.06601	1.9
61.02943	1.2
65.03943	2.2
67.05505	2.7
69.03425	4.5
70.06593	2.2
71.03889	2.1
71.04993	1.6
75.31351	1.0
79.05489	2.1
81.03431	15.0
81.07056	2.7
84.08131	1.7
85.02914	12.3
86.09721	2.0
91.05475	5.2
93.03395	2.1
93.07040	1.8
94.43593	1.1
95.04958	1.4
97.02893	4.1
103.23232	1.1
105.07029	1.9
107.04962	2.2
109.02896	3.1
115.05481	1.4
117.06995	1.9
119.04945	2.6
121.02903	1.6
121.06474	1.4
123.04424	1.9
127.03922	5.0
129.07007	2.7
131.04906	5.1
131.08592	1.6
133.02835	5.0
133.06465	1.6
135.04417	5.7
136.05226	2.0
137.05983	2.6
139.03917	2.5
141.07027	1.4
143.04958	2.1
143.08621	1.4
145.02902	2.7
145.04958	4.9
145.06464	3.1
146.07234	1.4
147.04416	5.2
151.03928	57.1
151.07558	100.0
157.06537	6.6
158.07234	9.4
159.04489	6.4
159.08083	2.3
161.05986	6.9
163.03917	4.9
163.06068	1.6
163.07529	1.3
164.04298	1.2
165.05467	7.4
165.09082	1.5
167.03412	2.7
167.07025	2.4
171.08058	1.8
172.08859	5.9
173.05989	4.7
174.06793	17.4
175.03882	4.7
175.07523	2.5
177.05527	5.4
177.09128	3.8
181.04948	1.7
186.06772	5.3
187.07506	3.9
188.08385	6.3
189.05515	4.2
189.09134	47.0
201.05566	6.8
201.09128	95.7
202.09897	14.1
203.10703	14.8
207.06514	2.5
213.09160	1.7
217.08578	1.3
218.07190	1.5
219.06668	2.4
219.10190	29.3
231.06541	1.7
231.10187	20.1
235.07530	1.5
249.07574	4.1
249.09401	1.3
249.11292	22.3
259.06165	1.3
262.09967	3.6
263.07022	3.4
276.07990	1.2
277.08505	7.2
278.09314	4.1
281.11575	1.3
289.08594	2.1
290.09293	3.8
291.06705	1.3
293.08313	2.5
293.11847	3.3
294.08820	1.5
298.08447	1.9
305.08115	3.2
306.08951	2.8
307.09613	4.0
308.10440	5.0
309.11304	3.0
319.09177	1.4
320.10370	2.8
321.07904	2.1
321.11221	7.5
324.09985	3.9
336.10129	2.1
339.12329	13.6
351.12259	28.6
369.13382	61.3
370.13873	1.9
387.14059	2.3
462.81567	1.2
490.67612	1.2
711.40363	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	711.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.7
55.01884	5.4
55.05512	4.0
57.03430	5.7
61.02914	4.7
65.03933	2.9
67.05507	6.5
69.03430	11.4
69.07069	4.1
69.61669	14.6
70.06598	9.5
72.08166	5.3
79.05509	12.7
81.03426	33.0
81.07050	5.2
83.04977	4.8
83.08590	4.6
84.08142	3.5
84.53040	2.2
85.02914	44.1
86.09706	11.3
86.35603	2.7
87.04394	2.6
88.21893	2.7
91.03958	3.0
91.05476	12.6
93.07021	7.7
95.04976	3.9
95.08610	3.8
97.02900	13.3
99.04490	3.8
102.10432	2.6
103.05467	2.8
105.07025	8.1
107.04969	9.0
107.08589	11.3
109.02911	12.6
109.06481	2.8
109.10174	3.1
111.08125	3.6
115.05450	4.8
117.06992	5.9
117.75961	2.3
119.08590	4.4
121.02898	3.3
121.06501	6.3
121.10132	3.3
127.03889	18.2
128.06273	3.7
129.06982	10.7
131.04916	5.1
131.08614	2.8
133.10165	3.8
135.04428	49.6
135.08044	7.1
136.05209	4.9
136.07530	2.4
137.05974	23.4
139.07535	11.9
145.04976	12.7
145.06479	7.4
145.10220	2.6
147.04442	4.4
147.08009	3.1
149.02356	7.9
149.05986	3.7
149.09653	5.5
151.03918	52.9
151.07558	97.5
157.06544	16.1
157.10181	3.0
158.07277	10.0
159.04364	6.5
159.08011	4.6
161.05991	7.1
163.03944	3.6
163.06065	3.1
163.07561	8.9
165.05498	50.9
165.06773	1.7
165.09111	3.1
167.07054	22.3
171.08029	3.3
172.08800	5.3
173.06029	7.6
174.06801	16.8
175.03876	4.4
175.07576	7.0
177.05415	5.0
177.09094	3.0
185.05844	2.3
186.06667	4.1
187.07487	10.3
188.08339	7.9
189.05492	5.1
189.09138	43.7
191.06998	3.7
193.12230	5.3
201.05511	13.0
201.09123	87.2
201.10986	4.5
202.09906	12.8
203.10695	12.7
205.08575	3.9
211.13306	3.8
217.08626	21.3
219.06464	3.1
219.08238	3.5
219.10188	29.4
227.09117	8.8
231.06493	6.1
231.10132	17.5
235.07527	2.6
247.07370	4.0
247.09686	4.4
249.07474	5.6
249.11331	13.0
251.10794	3.0
262.09894	3.5
263.06888	3.7
267.15945	9.6
268.16434	4.2
277.08655	5.3
278.09393	5.7
289.08658	4.5
290.09369	6.2
291.10153	3.5
292.07111	3.3
293.08234	3.4
293.11572	6.9
298.08368	8.3
305.07986	2.9
306.08881	3.7
307.09741	2.8
308.10495	3.7
309.11386	4.2
311.12711	5.5
320.10440	4.9
321.11206	9.0
323.12738	6.6
339.12317	22.7
351.12326	36.3
369.13367	100.0
387.14441	37.2
459.27432	3.7
472.04199	2.7
477.28198	5.3
478.28690	8.7
711.25031	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	709.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31823	0.1
55.05515	0.1
59.85724	0.1
65.39355	0.1
67.01866	0.4
67.05499	0.2
68.99774	0.3
69.03426	0.1
69.07062	0.2
69.36484	0.1
69.36882	0.5
79.05486	0.3
81.03403	0.3
81.07076	0.3
85.02891	0.1
89.03947	0.1
91.05486	0.2
93.07038	0.3
95.04980	0.1
95.08591	0.2
97.02889	0.1
105.07014	0.1
107.08597	0.1
109.02857	0.1
111.00774	0.1
112.06374	0.1
113.24644	0.1
117.03391	0.1
117.06908	0.1
121.10146	0.1
127.03862	0.1
129.01836	0.1
131.08600	0.1
133.10153	0.1
135.04422	1.4
135.11719	0.1
137.02359	0.5
137.39590	0.1
145.10139	0.1
147.11690	0.1
153.01845	4.3
159.11705	0.1
161.02356	0.7
171.02925	0.6
179.03432	0.3
185.05988	0.1
187.14729	0.1
203.03404	0.1
213.05396	0.1
219.06590	0.2
220.42381	0.1
225.95589	0.1
231.06462	0.1
241.04930	0.5
245.04515	0.2
256.30579	0.1
263.05664	0.1
269.04538	0.4
287.05521	100.0
288.05850	1.5
709.21436	0.1
709.32410	0.7
724.74194	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	709.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.7
51.11082	0.4
53.03942	1.6
55.01873	1.4
55.05511	1.8
55.68607	0.4
57.03431	1.4
65.03947	0.8
65.36850	0.3
66.04733	0.4
67.05509	3.2
68.05822	0.6
69.03445	4.0
69.07073	1.0
70.06595	0.7
71.04997	1.6
71.52694	0.6
71.53091	0.5
73.02929	0.6
77.03916	0.5
79.05504	6.6
80.05821	0.6
81.02988	0.7
81.03424	8.1
81.07070	4.7
82.03781	0.8
83.04988	1.1
83.08610	1.4
84.08096	0.5
85.02917	3.2
85.06558	0.9
86.09700	0.6
88.43078	0.4
91.05492	9.9
92.05799	0.8
93.07056	4.5
94.04210	3.7
94.07360	0.4
95.04989	3.6
95.08601	2.6
96.08940	0.5
97.02902	3.4
97.06534	1.2
99.04459	3.5
99.59833	0.4
101.06026	0.7
103.05491	2.4
105.07047	20.0
107.04967	2.9
107.08597	4.8
108.08983	0.6
109.02899	2.7
109.06544	2.9
109.10183	1.2
111.04449	1.6
115.03923	0.6
115.05448	2.7
115.07545	0.5
116.07124	1.0
117.07030	3.1
119.04973	1.8
119.08588	5.8
121.06525	2.0
121.10164	1.8
122.03661	6.8
123.04414	0.7
123.08103	0.9
125.05998	0.9
125.09684	0.6
127.03925	3.8
128.06244	2.6
129.07022	3.4
131.04950	3.2
131.08563	3.9
132.05728	1.0
133.06523	3.2
133.10143	9.9
134.10571	0.5
135.04425	1.0
135.08055	1.0
135.11723	2.7
136.12085	0.7
137.05994	100.0
138.06332	1.0
141.06996	1.0
141.95549	0.4
142.07816	0.7
143.04977	0.5
143.08574	8.0
144.05695	0.7
145.02716	0.4
145.04950	0.6
145.06528	2.3
145.10139	2.4
146.03653	1.0
146.07224	0.6
146.10477	0.7
147.04436	1.8
147.08058	2.6
147.11731	0.9
149.05969	2.3
149.09666	0.9
151.03944	2.2
151.07553	7.7
151.11113	0.4
153.06952	0.9
155.04909	1.0
156.09193	0.5
157.06490	0.9
157.10167	1.8
158.07324	1.0
159.08124	2.4
159.11745	1.3
160.05208	1.4
161.06009	10.9
161.09639	12.3
163.07571	4.0
163.11206	6.5
164.11569	1.5
165.05659	0.6
165.07043	1.9
165.09106	0.5
166.07834	1.0
167.07097	1.0
167.08517	0.8
169.06598	0.9
169.10193	0.8
171.08073	1.5
171.11682	1.1
172.05200	0.9
173.06099	0.6
173.09660	0.9
174.06735	0.9
175.06046	0.9
175.07565	16.4
175.11192	1.0
177.05539	0.7
177.09190	1.1
178.07762	0.5
179.07166	0.8
179.08627	1.4
179.10681	1.6
181.06493	1.8
181.10146	0.7
181.12202	0.4
182.07344	1.0
183.08125	0.7
184.05093	0.8
185.06038	0.7
185.09624	0.9
187.07567	6.8
187.11211	0.7
189.05461	0.7
189.07269	0.9
189.09123	6.5
190.07771	1.4
191.08588	5.8
191.10475	0.6
193.06549	1.7
193.12187	2.2
194.07306	5.5
194.12656	0.8
195.08086	1.6
196.08777	0.6
199.07565	5.0
199.11223	1.2
201.05493	0.7
201.07428	0.8
201.09114	3.5
201.12965	0.5
202.07799	1.4
203.07050	0.5
203.08611	2.9
203.10532	0.8
205.06540	1.9
205.10150	0.5
206.07440	0.5
207.08122	1.7
207.10199	1.2
208.08807	0.8
209.09627	1.3
209.11626	0.7
210.06825	1.4
211.07567	1.5
211.13284	0.5
213.09142	1.2
215.06920	0.6
215.10655	0.7
217.08627	1.0
217.12308	1.2
218.07312	1.4
219.08099	8.3
219.10068	0.9
220.08940	2.3
221.06090	3.5
221.09688	0.7
222.06796	3.6
223.07724	0.7
223.11252	0.5
224.08365	1.5
225.09221	2.8
227.07072	0.6
227.10667	2.6
227.12802	2.5
228.13184	1.2
231.08092	4.0
231.10260	1.4
232.08818	1.2
233.06033	0.6
233.09743	0.6
233.11844	0.5
234.07048	0.5
235.07530	1.5
236.08403	2.4
237.09140	3.8
239.10724	1.6
241.08691	0.9
243.08066	0.5
245.09711	0.8
245.11835	1.3
247.07533	3.9
247.09637	0.6
248.08333	2.6
249.09068	1.3
249.11314	1.0
250.06322	1.5
250.09933	0.5
251.10730	11.1
253.08548	2.4
253.12514	0.7
254.09514	0.7
255.10165	0.8
259.07486	3.8
259.09488	0.4
260.08392	1.2
261.09268	1.2
263.07111	0.6
263.10684	2.9
263.13159	0.6
264.07877	1.6
265.08612	9.9
267.10025	2.9
267.15952	5.3
268.16266	3.4
269.12003	0.8
273.08893	0.6
275.10623	0.5
276.07785	1.8
277.08582	1.7
277.12054	0.5
279.10245	6.6
280.10995	0.9
281.08154	1.0
282.09109	0.8
283.10062	0.4
283.15509	3.8
284.15805	2.2
285.11279	9.2
285.16858	0.6
286.17365	0.5
287.12857	1.0
289.08759	0.6
289.12210	0.6
291.10190	6.6
291.13455	0.7
292.10889	0.8
293.08127	0.8
295.10156	0.7
295.13361	0.6
296.10605	1.4
297.11264	13.3
299.12967	1.1
303.10287	0.9
303.13672	0.6
305.08173	0.5
307.09818	0.6
308.10510	1.0
309.11304	1.8
311.12814	19.2
313.08057	0.5
315.13013	0.5
319.13403	0.6
319.16846	0.6
320.10504	0.6
321.11191	1.9
323.12656	8.9
325.14490	0.4
327.09894	0.7
329.11948	0.6
331.13379	0.7
333.13983	0.5
335.12784	1.7
339.12424	0.5
341.14117	0.8
343.13358	0.7
347.12805	0.9
347.16660	1.0
349.14429	1.0
351.15118	2.2
359.12698	0.9
363.16086	0.8
365.17630	0.9
367.13531	0.5
369.14011	1.5
371.12875	0.6
373.14587	0.7
375.15979	0.9
385.13452	0.4
391.14972	0.5
393.16971	1.4
401.13596	0.9
403.16174	0.5
405.17358	0.5
406.15015	0.5
419.14789	0.6
421.16486	0.9
433.16428	0.9
439.19019	0.9
441.16699	0.5
445.16260	0.4
451.18985	0.5
459.27344	0.5
461.19611	1.1
465.20758	0.5
471.22101	3.4
473.19434	0.6
475.26959	2.6
476.27325	7.0
477.28412	1.2
481.20349	0.7
483.21771	1.3
485.18848	0.5
489.22885	1.7
493.27765	0.6
494.28293	1.8
499.21198	2.5
501.22861	1.9
511.21280	0.9
511.29846	0.4
512.29242	0.9
515.20361	0.5
517.22467	3.9
519.23541	0.6
523.20007	0.5
529.22437	2.7
533.21924	0.5
535.22815	0.5
547.23199	0.6
613.88940	0.5
615.25555	0.9
625.24573	1.3
633.27087	1.0
638.32776	0.5
643.25269	1.9
661.26398	2.3
663.27472	0.6
673.26007	0.8
679.27606	0.8
691.27350	1.5
709.28351	1.0
709.40009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.6
69.03407	0.6
71.51688	1.0
77.00910	1.5
81.03409	1.0
82.99872	1.7
85.02908	1.2
95.01958	0.8
97.02880	1.8
98.97578	1.9
101.00890	13.5
105.00357	0.8
109.02901	0.6
113.00854	3.3
119.01931	26.5
119.08540	0.8
120.02019	0.7
121.01637	1.9
122.01379	1.0
122.51437	0.8
123.01298	1.0
127.02430	2.5
127.03870	1.0
131.01924	10.0
131.51959	0.6
132.01819	0.8
133.01656	0.7
133.03459	1.0
137.01936	0.7
137.02946	2.4
138.01762	1.1
139.02397	1.2
143.01904	37.4
144.01903	1.4
145.01645	2.3
145.03468	10.1
147.01370	1.1
149.02997	0.7
153.03958	0.6
155.01903	19.0
156.02025	0.9
157.01639	0.9
157.02158	0.7
157.03471	8.0
158.02397	0.7
158.99724	0.8
159.03244	0.8
161.02969	59.3
162.03055	1.1
163.02692	1.6
163.03955	2.0
164.52498	0.8
167.01909	8.6
169.01822	1.5
169.03459	3.2
171.05040	2.6
173.02971	27.8
173.06633	1.1
173.53072	2.8
174.02945	2.2
175.02702	1.7
175.04517	1.3
177.00713	0.7
179.01884	3.6
181.03488	0.9
184.04587	1.4
185.02965	38.8
186.03093	2.4
187.01016	1.5
187.02757	4.0
187.04549	5.0
191.02361	0.9
191.04010	5.9
191.07674	2.8
197.02963	12.9
198.03145	0.9
199.02754	1.5
199.04449	1.3
201.00731	0.6
203.04016	21.3
203.54079	0.9
204.04077	1.5
205.02007	10.0
205.03819	1.0
209.02943	1.4
215.04041	8.8
217.01965	1.4
217.03853	1.3
219.01767	1.3
219.12393	2.0
221.05042	7.2
223.02914	1.0
227.04025	8.7
233.05101	1.7
235.02983	1.2
235.11790	0.8
237.13376	15.0
238.13651	1.5
239.06163	1.5
245.05095	100.0
246.05269	5.5
247.02798	1.4
247.04955	12.6
254.05789	0.9
255.14445	23.1
256.14700	1.3
257.05099	5.6
261.02884	1.1
263.06152	27.1
263.11209	2.7
264.06256	1.5
265.06171	1.3
275.06140	13.9
276.06097	1.0
277.06021	2.0
279.14386	2.3
281.07211	0.7
281.12378	12.0
284.06732	1.6
284.56729	1.5
285.06720	1.8
286.07861	0.9
287.06143	1.2
289.04120	2.4
291.14499	0.7
293.07187	1.9
297.15347	1.0
299.13409	13.3
305.07202	12.6
305.10794	0.8
305.12289	1.2
306.07327	0.7
307.04932	9.0
317.07275	1.4
323.13416	27.2
324.13687	1.0
325.06088	1.1
335.08304	4.2
335.13309	1.3
337.08008	0.8
341.14371	4.7
353.14474	4.3
362.09735	2.0
365.09314	13.4
365.14343	2.6
365.59512	1.7
366.09457	2.4
366.93082	1.2
367.09091	5.5
377.14526	1.2
383.10760	1.0
383.15567	8.2
385.10379	1.0
395.15640	1.1
407.15323	2.5
425.11304	8.2
425.16629	8.2
426.06720	2.2
426.11780	1.4
427.11301	6.8
443.17712	9.4
456.20206	0.6
469.10431	44.7
470.10614	1.0
485.18301	0.9
515.08966	1.4
515.19794	0.8
587.21710	0.7
605.22711	8.6
623.23450	0.8
680.86359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.5
53.03940	2.0
55.01677	0.7
55.01875	8.5
61.67292	0.7
65.03942	2.2
65.95615	0.7
67.05502	2.2
68.99785	1.1
69.07106	0.7
69.54785	1.3
69.55179	3.1
71.91120	0.7
77.03931	1.8
78.04697	0.8
79.05509	5.3
81.03410	3.2
81.07052	1.3
91.05487	5.8
93.03391	1.3
93.07093	0.8
95.04976	2.5
95.08628	1.0
103.05489	6.0
105.03401	2.6
105.04510	1.1
105.07039	3.1
106.95029	0.7
107.04938	4.7
108.05753	1.1
109.02876	2.9
115.05446	6.5
116.06276	0.9
117.07053	4.1
119.04988	1.8
120.19966	0.8
121.02849	2.8
121.06516	2.3
121.10182	0.9
123.04443	6.3
127.05391	0.9
128.06224	5.2
129.07014	10.6
130.04132	1.0
131.04938	9.4
131.08609	1.4
132.05731	0.8
133.02872	6.3
133.06482	3.2
133.10168	1.3
135.04424	100.0
136.05196	3.2
137.02382	1.9
138.06831	1.0
141.06938	1.4
143.04922	5.7
144.05717	1.7
145.06494	14.5
146.07280	6.5
147.04419	3.6
147.08063	2.5
149.02373	12.3
149.06004	2.2
151.03943	6.9
151.07547	21.7
153.07005	1.1
155.06079	0.9
156.05692	1.0
157.06503	11.7
158.07277	5.7
159.04437	6.3
159.08069	15.6
160.05229	2.2
160.08841	1.7
161.02420	1.7
161.05984	9.6
162.06792	5.3
163.03920	9.8
165.01845	11.6
165.05571	1.6
165.07010	2.7
165.09125	1.0
167.03563	1.0
171.04382	0.9
171.08070	1.5
172.08844	8.3
173.05998	19.5
173.09628	3.8
174.06769	3.9
175.03918	8.8
175.07536	8.3
176.08350	14.5
177.05620	0.8
177.06987	1.2
177.09111	15.9
178.07799	1.8
179.07066	23.9
179.08559	3.6
181.06506	3.1
182.07271	2.1
185.06000	10.7
186.06764	1.7
187.07558	15.4
188.08362	8.5
189.05548	1.3
189.07172	3.1
189.09116	61.0
190.07814	2.4
190.09787	2.5
191.03400	17.2
191.07072	1.4
191.08609	3.6
191.10667	2.2
192.04192	17.0
192.07880	1.0
193.04987	18.3
193.06552	2.0
194.07286	1.5
195.08078	5.8
196.08881	3.2
197.05994	2.1
198.06873	1.1
199.07579	1.3
201.05484	1.4
201.09135	7.4
202.08043	1.3
202.09932	3.5
203.06956	5.2
203.08656	2.8
203.10661	22.1
205.06548	4.5
205.08470	1.8
206.07227	2.0
207.08046	10.0
208.08881	6.7
209.06013	3.0
209.09636	1.2
210.06865	1.7
211.07571	2.2
212.08363	2.3
213.05502	1.8
213.09039	4.0
215.07083	3.1
215.10658	1.7
217.06581	1.8
217.08629	3.0
218.07288	3.0
219.08138	10.3
219.10194	2.2
220.08830	5.3
221.06082	1.6
221.09621	3.9
222.06918	1.6
223.07494	4.4
224.08321	4.4
225.05565	2.5
225.09135	2.8
226.09914	2.3
227.07062	1.1
227.10689	2.6
229.08633	2.6
229.12338	1.1
231.08089	2.7
231.10185	1.3
232.08800	2.3
233.05959	3.3
233.09819	2.0
234.06741	2.7
234.10393	1.7
235.07538	12.9
236.08308	6.5
237.05679	1.3
237.09079	4.3
238.09941	1.4
239.07085	1.5
239.10667	12.2
241.08601	2.3
246.06790	1.5
247.07591	10.0
248.08345	10.1
249.05424	1.5
249.06577	0.9
249.09102	8.2
250.09946	3.5
251.07123	3.0
251.10703	21.3
252.07794	2.1
252.11380	1.2
253.04922	4.6
253.08562	9.3
253.12325	0.8
254.09427	1.2
255.06468	1.5
255.10205	3.5
257.07950	1.2
257.11691	1.3
259.07581	2.3
260.08475	2.9
261.05408	1.6
261.09119	4.5
262.06271	1.3
262.09900	3.0
263.07098	9.9
263.10626	7.5
264.07831	5.2
264.11465	1.9
265.08643	9.2
265.11795	1.2
266.09372	2.7
267.07025	1.4
267.10175	13.7
269.11780	1.7
275.07092	6.0
275.10254	1.1
276.07819	5.1
277.08612	10.5
278.09348	5.8
279.07108	2.0
279.10172	53.5
280.07523	1.0
280.10681	1.9
281.08142	4.0
281.11795	2.5
283.06000	2.8
283.09601	1.6
285.11307	2.9
288.07755	1.1
289.08664	6.3
290.09424	6.9
291.06601	3.0
291.10196	16.7
292.07330	2.8
292.10974	2.7
293.08112	9.0
293.11777	4.9
294.08911	2.2
295.09674	5.3
296.10648	0.8
297.11459	1.1
302.09375	1.1
303.10132	1.1
305.08136	8.1
306.08713	5.3
307.09668	37.9
308.10516	8.4
309.11209	11.0
311.09241	1.8
319.09613	7.8
320.10342	9.6
321.07608	2.7
321.11188	18.2
322.08456	1.4
323.09164	5.1
323.12891	2.1
325.10757	3.7
329.21362	0.8
333.11243	3.0
335.09161	4.1
336.09885	1.2
337.10724	19.1
338.11517	4.4
339.12234	4.9
341.10498	0.9
349.10760	6.6
350.11621	4.5
351.08569	1.5
351.12289	22.1
353.10144	5.1
355.12012	1.7
367.11960	6.3
368.12589	12.4
369.13358	28.5
379.11627	0.8
411.12210	1.5
429.13535	2.2
441.13904	1.2
445.12848	1.8
447.14566	0.8
459.14386	1.1
469.12790	1.7
475.13843	2.3
479.14630	0.9
485.12384	2.8
497.16226	1.4
503.13342	1.3
509.16263	1.6
515.13635	1.7
527.16870	1.0
585.19110	1.2
595.16156	0.9
599.16931	2.5
601.18860	2.1
603.20148	4.0
613.18622	10.0
615.20093	2.8
619.19574	3.8
631.19666	20.5
633.20990	3.4
643.19745	5.7
649.20508	7.4
651.21545	1.2
661.20740	13.4
663.22205	2.9
673.20050	1.7
679.21783	28.1
680.21844	1.3
691.21497	4.2
709.22614	12.9
709.37415	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	709.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
53.03934	2.3
55.01859	4.4
55.52409	1.1
59.12435	1.0
67.05504	2.5
71.04977	1.0
71.25880	2.0
77.03908	1.0
79.05500	6.6
81.03407	3.4
81.07053	2.0
85.02840	1.1
91.05466	4.8
93.07075	1.2
95.04950	2.2
97.85364	0.9
99.91319	1.0
103.05471	3.7
103.97546	0.9
105.03402	2.9
105.07030	1.9
107.04951	4.1
107.08602	1.0
107.27737	1.0
108.34071	1.1
109.02982	1.2
111.04433	1.4
115.05461	6.2
117.07014	3.5
119.04906	1.5
121.02858	1.4
121.06499	1.6
121.10104	1.2
123.04460	6.3
128.06215	4.3
129.07016	11.3
131.04945	6.4
131.08595	1.4
133.02866	1.3
133.06473	1.4
135.04430	100.0
136.05190	2.3
137.02332	3.1
141.06949	1.4
143.04924	4.1
144.05707	1.5
145.06493	11.8
146.07315	1.7
147.04396	2.7
149.02350	7.5
149.05968	1.7
151.03897	4.5
151.07564	12.8
153.07022	1.7
155.04849	1.6
155.06021	1.4
156.05777	1.1
157.06522	11.6
158.07262	2.5
159.04417	2.9
159.08040	2.6
160.05206	2.4
161.06007	5.9
162.06671	1.4
163.03952	2.7
165.01857	2.4
165.06958	2.4
167.08549	1.3
169.06635	1.3
171.08061	1.7
172.08809	2.9
173.06003	19.0
174.06741	3.4
175.03876	2.4
175.07539	6.3
176.08287	1.8
177.05467	1.4
177.09172	4.9
178.07747	2.0
179.07121	5.4
179.08475	2.0
181.06441	3.2
182.07213	2.2
183.07921	1.9
185.06003	9.6
186.06654	1.9
187.07544	10.0
188.08296	5.5
189.05540	1.4
189.07297	1.7
189.09116	45.2
190.07756	1.4
191.03479	1.6
191.08562	2.5
191.10674	1.8
193.06494	1.5
194.07417	1.1
195.08076	3.9
196.08792	3.0
197.05997	2.5
199.07538	2.4
200.08220	1.1
201.05461	1.5
201.09123	13.8
202.07803	2.7
202.09798	3.1
203.06996	6.1
203.08623	3.7
203.10576	10.8
205.06421	2.5
206.07254	1.9
207.08055	4.2
208.08792	3.5
209.06030	3.2
209.09631	3.4
210.06857	1.3
211.07513	3.7
212.08366	2.4
213.05618	1.2
213.09167	3.5
215.07002	3.1
215.10648	9.5
217.06534	1.9
217.08501	1.4
218.07294	2.8
219.08090	9.2
220.08910	2.6
221.05952	1.9
221.09573	4.9
222.10262	1.4
223.07541	3.4
224.08298	3.9
225.05493	2.2
225.09102	8.0
226.09914	2.9
227.10670	4.6
229.08635	3.2
229.12314	1.2
231.08017	6.6
231.10214	6.6
232.08926	7.7
233.05898	2.8
233.09781	4.7
233.11676	1.3
234.06764	3.4
234.10394	2.0
235.07550	5.3
236.08217	2.9
237.09189	3.2
238.09882	3.0
239.06934	1.5
239.10722	8.7
240.07835	2.2
241.08574	2.4
241.12086	2.0
245.05914	1.5
245.09616	1.9
246.06805	1.7
247.07524	10.6
248.08391	7.6
249.05547	2.2
249.09100	10.2
249.11507	1.5
250.09866	1.3
251.06950	3.0
251.10672	4.9
252.07771	1.4
253.04912	1.8
253.08586	4.5
253.12263	2.8
254.09491	5.4
255.06839	1.0
255.07663	1.2
255.10188	7.7
257.11710	3.7
259.07565	4.7
260.08337	5.1
261.05328	1.4
261.09106	6.9
262.06375	1.5
262.09924	3.0
263.07257	6.3
263.10727	12.4
264.07855	3.2
264.11255	2.3
265.05173	1.2
265.08569	3.3
265.12262	2.7
267.10217	9.4
269.11847	2.2
273.09055	1.5
275.07312	5.9
275.10449	5.9
276.07834	3.4
277.08557	12.5
277.11472	1.3
277.12457	0.9
278.09381	3.5
279.06784	2.0
279.10144	5.8
280.11237	1.2
281.08212	2.8
281.11710	4.1
283.09634	3.0
287.07114	1.6
288.07916	1.8
289.08597	9.3
290.09393	3.8
291.06696	2.4
291.10135	18.8
292.07919	1.8
292.10983	9.9
293.08109	5.0
293.11682	5.6
295.09677	4.1
302.09338	3.4
303.06940	1.9
303.10132	12.4
305.08060	7.0
305.11337	2.1
306.08963	1.8
307.09644	7.5
308.10303	1.5
309.11285	7.2
310.11859	1.2
311.09149	1.4
317.08148	1.1
318.08875	2.7
319.06174	1.7
319.09686	12.6
320.10403	8.7
321.11252	12.4
323.09143	3.8
323.12692	1.5
325.10580	1.7
332.10251	2.1
333.07733	1.7
333.11270	14.2
335.09097	2.2
337.10837	4.9
338.11420	3.8
339.12247	3.7
341.10178	3.9
349.10733	4.7
350.11523	8.3
351.12436	5.8
353.10178	3.9
363.19125	1.0
367.12039	6.5
368.12637	2.5
369.13266	2.3
379.11993	2.0
386.13345	1.1
411.12033	1.6
413.14020	1.2
459.13855	2.0
485.12387	1.5
561.42163	1.2
569.17950	2.0
583.17395	1.9
584.18213	1.7
585.18683	2.0
603.19641	3.4
605.21277	1.2
613.18201	2.3
615.20068	7.3
625.17743	1.7
631.19415	3.6
633.20715	4.6
643.19873	5.7
661.20703	8.2
679.21185	3.3
691.21539	8.0
709.22784	21.8
710.22394	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.05523	7.7
57.03413	1.3
67.05509	5.0
69.03436	2.4
69.07062	2.3
69.63492	3.5
69.63895	2.8
71.05002	1.3
79.05495	5.5
81.03412	2.3
81.07053	4.8
83.04980	3.4
83.08624	30.4
85.06557	2.5
85.86460	1.2
87.04481	1.3
89.72147	0.9
91.05489	4.1
93.07033	4.3
95.04963	1.4
95.08627	5.7
97.02900	8.8
97.06557	1.5
98.21468	2.0
99.04458	3.4
105.07021	3.2
107.04942	1.8
107.08604	42.4
109.10148	3.2
111.08083	2.3
119.08581	8.4
121.10155	6.2
123.08105	2.7
125.06007	2.1
125.09644	38.7
131.08600	1.5
133.10104	1.2
135.11713	7.1
137.09650	3.6
145.10097	2.4
147.08078	7.0
147.11702	1.5
149.13266	1.3
153.12766	8.4
155.08484	1.1
159.11681	6.6
161.13255	1.3
163.11217	10.2
165.09108	13.8
177.12708	7.2
181.12248	36.3
184.07314	1.7
186.60757	1.1
187.11174	2.0
195.13829	2.8
205.12265	25.3
223.13309	100.0
224.13647	1.4
261.70364	1.2
294.66821	1.1
411.56433	1.1
511.79315	1.2
603.42487	1.4
645.43640	1.3
708.37793	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	708.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.4
55.01871	3.0
55.05518	7.6
57.03442	8.8
61.02907	1.1
67.05505	18.2
69.03439	4.2
69.07085	5.1
69.40243	6.6
70.06591	4.3
71.01353	1.5
71.04993	3.1
73.02936	2.2
79.05497	21.5
81.03428	52.2
81.07064	20.4
83.04984	7.7
83.08625	13.4
85.02916	4.9
85.06547	1.5
86.27038	1.0
87.04453	1.4
91.05488	18.2
93.07058	24.0
95.04979	21.1
95.06104	1.1
95.08614	20.1
97.02915	8.9
97.06544	6.1
97.10180	4.4
99.04462	3.6
105.04562	1.2
105.07051	14.3
107.04975	9.9
107.08608	19.4
109.02915	2.8
109.06519	4.7
109.10174	6.4
109.35320	1.0
111.04462	4.0
111.08090	6.0
115.05518	1.6
116.07115	5.6
117.07024	5.0
119.04988	1.6
119.08598	16.4
120.08073	1.1
121.06525	5.6
121.07293	1.3
121.10150	13.5
123.08083	2.8
123.11718	1.4
125.05998	2.4
125.09589	1.7
127.03909	1.5
127.07568	1.0
129.07042	7.4
130.07797	1.7
130.08685	1.2
131.08557	7.8
133.06505	3.0
133.10161	7.6
135.08096	2.6
135.11708	30.8
137.05994	7.2
137.09669	1.4
142.07822	1.4
143.08559	1.4
145.10135	19.9
147.08055	3.5
147.11665	6.7
149.09648	4.7
151.07576	1.8
151.11198	1.4
153.12758	2.8
157.10190	6.8
159.11714	1.2
161.06000	1.6
161.09610	1.6
163.11198	40.6
165.09242	1.2
165.12823	1.9
173.09709	3.0
175.07536	3.2
175.11215	7.4
177.09099	1.2
181.12251	8.3
187.07545	1.8
189.09174	2.1
191.10724	2.5
193.12279	16.2
205.12167	1.2
209.11778	4.0
211.13370	3.9
213.12883	1.1
227.12808	38.5
249.14897	1.3
265.14340	1.4
267.15936	92.8
283.15433	57.4
285.16956	4.3
301.16415	5.7
311.12915	1.4
421.25824	1.5
457.25479	2.9
475.26968	100.0
476.27261	1.5
493.27930	17.5
511.29013	7.3
556.57617	1.3
708.39008	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	708.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01869	3.8
55.05503	1.8
57.03431	3.1
61.02921	2.0
67.05511	1.7
68.99776	2.1
69.03433	12.1
70.06595	2.4
71.04958	4.4
72.08144	1.6
73.02911	3.2
74.09716	1.5
79.05497	1.8
81.02985	1.5
81.03429	18.5
81.07066	2.3
83.04982	1.4
85.02911	34.9
87.00844	15.1
91.03957	0.9
91.05482	3.5
93.07035	2.2
94.04210	0.9
95.04945	1.2
95.08588	0.9
97.02901	21.3
99.04476	6.7
103.05486	1.3
105.01878	16.2
105.07042	1.2
107.04949	1.8
107.08615	1.5
109.02885	10.9
109.06494	1.7
109.10201	1.0
111.04445	1.5
115.03915	1.1
115.05447	5.2
117.01851	1.7
117.07037	2.3
119.08556	1.3
122.03650	3.3
125.05988	2.4
127.03934	29.3
128.06262	2.7
129.07013	6.3
131.04938	2.3
131.08568	1.7
135.04405	2.3
135.11717	1.5
137.05988	90.5
139.03830	1.2
143.04926	10.1
143.05951	1.1
144.05664	1.6
145.04976	14.2
145.06473	2.1
147.02853	1.1
147.04402	1.0
147.08043	1.4
149.05986	1.1
151.03908	4.4
151.07600	3.5
152.53717	0.9
153.05482	2.0
157.06512	8.2
159.02914	10.2
159.08078	1.1
160.05194	13.3
161.05989	2.6
161.09567	1.0
163.03900	1.4
163.07561	2.8
165.09152	2.6
172.05170	2.6
173.06033	1.4
174.06764	2.2
175.07555	100.0
176.07938	1.0
177.03966	1.1
177.05458	2.1
177.09154	1.4
179.06879	1.4
185.05997	1.5
187.05872	2.0
187.07556	39.5
188.08075	1.5
189.09135	10.8
191.10680	1.8
199.07567	1.7
201.09175	1.6
203.10634	1.4
205.08600	25.9
207.06479	1.2
211.07515	2.2
215.10674	1.1
217.08600	10.7
219.10185	1.8
231.05011	7.2
231.07990	1.1
235.09674	30.4
239.07092	1.6
241.12166	2.2
247.07524	1.0
248.08392	2.1
251.10719	1.3
259.07611	1.0
263.10632	2.2
267.15948	2.4
267.68369	0.9
270.08987	2.2
271.09653	3.9
271.12952	1.3
277.08740	1.0
279.10236	2.6
283.15472	1.8
285.17148	0.9
291.10187	6.4
309.11276	1.6
311.12714	4.3
323.12848	6.2
325.14319	1.3
341.13867	16.1
342.39694	1.0
357.13284	2.0
377.17743	1.1
407.18600	1.9
425.19424	2.5
475.26883	3.3
547.73767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.8
52.05640	0.6
53.03960	3.6
55.01880	3.6
55.05511	3.1
57.03417	1.6
65.03923	0.9
67.05502	2.7
69.03452	5.3
69.07084	1.6
69.89651	0.6
70.06586	1.9
71.05001	4.1
71.52647	1.0
72.08151	0.9
73.02932	0.9
76.41183	0.6
77.03931	0.9
77.42501	0.7
79.05499	6.9
81.03426	9.9
81.07053	3.2
83.04988	1.2
83.08614	1.2
84.08137	0.7
85.02917	4.4
86.09732	1.3
91.05492	25.2
93.07054	6.1
94.04182	2.1
95.04964	2.8
95.08572	0.7
97.02898	14.2
97.06531	2.5
99.04456	2.2
100.11278	1.5
103.05482	20.2
105.04529	0.7
105.07048	15.8
107.04961	4.6
107.08605	1.7
109.02891	13.7
109.06502	2.4
109.10181	0.9
111.04451	3.0
115.05448	6.7
116.06249	6.5
117.07052	6.7
119.04989	1.6
119.08573	3.5
121.06522	4.5
121.10143	1.9
122.03671	5.0
123.08135	0.8
127.03931	43.1
128.06221	2.8
129.07025	7.8
131.04944	58.0
131.08582	60.8
132.05721	1.6
133.06519	3.2
133.10133	4.8
135.04422	2.1
135.08075	1.3
137.05992	73.5
138.06351	1.4
139.03944	0.9
141.06985	9.3
143.06079	0.9
143.08623	1.6
144.05716	11.2
145.04961	0.9
145.06485	3.2
145.10103	1.5
146.03571	1.0
147.04378	3.3
147.08058	3.0
149.06007	13.0
149.09642	1.5
151.03917	2.6
151.07562	1.6
153.01888	1.5
153.07024	1.1
155.04898	1.6
155.08447	0.7
157.06535	1.3
159.08070	100.0
160.08453	0.9
161.06010	11.7
161.09624	3.8
163.03931	0.8
163.07578	2.1
163.11197	0.7
165.06996	0.8
165.09126	1.5
169.06400	0.9
169.07643	2.9
171.04314	0.7
171.08040	1.6
173.09563	1.0
175.07565	15.7
177.09120	22.0
179.06989	1.0
183.08156	0.8
185.06004	1.4
187.07567	89.4
188.07944	1.1
189.09142	1.0
190.07861	3.2
191.08586	9.6
199.07664	3.3
202.07819	2.0
203.06961	1.4
203.08600	2.6
205.06807	1.2
205.08621	24.4
207.08174	0.8
208.08885	1.2
210.14890	1.2
211.07646	0.9
215.06981	1.4
217.05052	1.1
217.08539	0.9
218.07306	2.6
219.08113	14.3
220.08807	2.0
223.09680	5.4
231.08102	4.3
232.08842	1.2
235.07556	2.0
236.08339	3.5
237.09166	1.1
239.10738	1.6
247.07526	6.9
247.09755	5.8
248.08318	2.6
249.09154	1.8
251.10681	21.0
253.08614	1.9
259.07562	2.8
260.08344	1.5
261.09146	1.9
263.07236	0.6
263.10672	2.6
264.07831	2.2
265.10785	1.9
267.10229	4.2
268.10468	0.7
271.75537	0.6
273.04248	0.6
274.04581	0.8
276.07800	0.9
277.08560	1.8
279.10199	17.3
280.10837	1.1
281.08139	1.6
285.11395	1.6
291.10239	4.8
292.10947	0.8
293.08466	0.8
295.09753	2.3
295.13168	0.9
296.10513	3.4
302.04306	4.5
303.04871	1.4
307.09729	0.7
308.10483	1.0
309.11084	1.1
309.16879	0.7
311.12802	53.3
313.10760	2.4
321.11221	0.7
323.12842	9.4
331.11856	8.5
335.12878	1.2
345.11151	0.7
349.12927	3.2
353.14075	1.6
377.13821	1.3
395.58740	0.7
399.10828	16.1
401.13931	3.0
407.11932	0.6
419.14987	1.8
482.28043	0.7
527.81537	0.8
657.43146	0.7
707.38348	0.9
707.54053	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.209
Annotation	Unknow
Peak:m/z	Relative Intensity
70.19722	1.0
70.99842	0.5
82.99894	1.2
84.08156	0.4
88.39841	0.3
88.63564	0.4
94.99863	0.9
95.37207	0.3
98.20798	0.3
101.00892	5.5
112.39641	0.4
112.89613	2.6
113.00903	1.3
115.02404	0.5
119.01933	7.6
122.01413	0.7
127.02426	1.9
130.08698	0.4
131.01900	2.9
137.01932	0.4
139.02428	1.0
143.01915	16.6
145.03473	5.8
147.01393	0.6
155.01904	11.0
157.03500	3.7
161.02971	13.3
163.04561	0.6
167.01915	8.9
169.03468	2.6
171.05035	2.3
173.02983	12.7
174.03148	0.4
175.04527	1.0
179.01892	3.9
181.03488	0.4
185.02975	32.1
186.03160	0.7
187.04558	3.6
194.03497	0.6
197.02985	13.4
197.04822	0.8
203.03999	8.6
203.05722	0.5
208.04666	0.5
209.02983	1.0
215.04024	6.7
216.30769	0.4
221.05133	1.0
224.04456	0.5
224.86272	0.3
227.04039	8.4
239.03984	0.9
239.06137	0.6
245.05095	100.0
246.05278	2.0
254.05481	0.4
257.05084	5.1
263.06171	12.0
269.05032	0.4
275.06155	14.3
277.87070	0.4
284.06674	1.4
286.07932	0.5
293.07254	2.3
305.07211	11.9
317.07184	0.9
329.07111	0.4
335.08441	3.0
347.08319	0.8
364.99429	1.3
365.09335	40.2
366.09491	0.9
383.10220	1.7
407.10312	0.8
409.16846	0.4
425.11459	43.7
426.11578	0.9
437.11261	2.4
455.12640	3.0
485.13443	1.4
527.14532	0.5
624.95715	0.4
707.18677	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	707.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89475	0.3
57.03427	0.4
69.03423	0.6
70.28242	0.9
73.02899	0.5
81.03381	0.3
82.99799	1.7
85.02888	1.0
85.89100	0.3
94.99855	0.4
97.02863	1.0
97.55691	0.3
98.97556	0.7
101.00879	5.3
109.02902	0.4
110.01392	0.4
113.00860	1.4
116.98636	0.4
119.01929	9.2
122.01396	2.2
122.51446	0.4
127.02422	1.5
128.01395	0.6
131.01920	5.4
134.01413	0.3
137.01891	2.1
137.02951	0.8
139.02397	0.5
143.01907	19.0
143.51970	0.7
145.03476	6.2
147.01344	0.6
149.01874	0.8
149.02975	0.7
151.00792	0.6
152.02434	1.4
153.03954	0.4
155.01895	9.1
157.03491	3.7
158.02435	0.3
158.99631	0.3
160.01299	0.3
161.02974	14.0
163.04568	0.5
164.02402	0.5
167.01901	7.4
169.02170	0.5
169.03482	2.7
171.01457	0.4
171.05028	2.4
173.02979	16.1
173.53081	1.0
175.04517	0.9
179.01822	3.4
181.01813	0.6
181.03406	0.4
182.03453	0.9
184.04556	0.4
185.02966	32.4
186.03131	0.5
187.01855	0.6
187.04514	3.2
191.02008	0.4
191.03970	0.6
193.03473	0.4
194.03432	0.8
197.02965	13.0
199.04495	0.8
201.00780	0.5
202.04059	0.5
203.04010	10.6
203.54121	0.7
205.05431	0.3
208.04521	0.5
209.02946	1.1
212.04388	0.4
215.04019	8.4
219.01701	0.3
221.03056	0.4
221.05000	1.4
224.04536	1.0
227.04033	8.5
232.03438	0.5
233.05113	0.5
239.03923	0.6
243.02045	0.6
244.25293	0.3
245.05089	100.0
246.05273	1.9
247.03717	0.4
254.05688	0.6
257.05084	5.3
261.02844	0.5
263.06161	13.4
269.05087	0.4
275.06131	13.9
276.06274	0.4
279.03925	0.5
284.06689	3.6
284.56760	1.0
286.07730	0.6
287.06174	0.6
293.07214	2.9
305.07208	11.7
306.07486	0.3
317.07214	0.8
335.08267	3.4
347.08292	1.3
364.09579	1.1
364.59454	1.4
365.09323	42.5
365.59567	0.8
366.09644	1.3
373.08063	0.6
383.10434	1.5
392.88168	0.3
394.08908	0.6
394.58725	0.3
407.10461	1.0
425.11435	42.5
426.11673	1.2
437.11472	3.0
455.12491	3.7
469.10257	1.1
485.13574	1.1
527.15216	0.5
545.15088	0.4
644.00403	0.3
707.18701	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96177	0.2
56.05045	0.7
58.06606	100.0
59.06949	0.2
61.02941	0.2
69.03452	0.6
71.14710	0.3
80.95294	0.2
81.03434	1.3
85.02916	1.4
89.03920	1.2
91.05505	0.2
99.04451	0.2
109.02895	0.4
115.05491	1.0
117.03389	2.4
117.05791	0.5
127.03970	0.3
132.08147	0.6
134.06033	0.9
137.05983	2.3
138.71730	0.2
143.04941	1.1
145.02859	9.1
146.06012	3.3
148.07533	0.3
149.06027	0.7
151.03925	1.0
160.03986	0.4
160.05296	1.0
160.07600	9.2
161.06064	0.6
161.64233	0.2
162.05563	0.3
170.06042	1.3
171.06844	0.3
172.07628	0.2
175.07574	4.8
175.09009	0.3
177.05493	17.4
184.07584	0.9
186.05510	1.4
189.05544	0.8
202.08665	0.3
203.07072	0.2
205.13383	3.8
212.07187	0.6
230.08270	0.2
262.08673	0.3
278.08612	0.2
279.09000	0.5
286.08817	0.4
293.10391	0.2
294.11276	2.4
303.08969	0.2
304.09821	0.3
308.12958	0.8
318.11450	0.7
321.09717	1.1
336.12347	5.5
339.10889	0.6
360.12512	0.2
378.13571	0.2
437.78268	0.2
480.16449	0.3
498.17719	0.9
543.23474	1.3
545.97839	0.2
660.23352	0.4
705.28705	51.3
706.28540	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37052	1.0
53.03945	1.9
55.05515	8.9
56.05032	4.1
58.06594	1.1
58.49645	1.2
65.03944	2.6
66.04728	18.4
67.05502	13.5
68.01164	1.1
69.03432	2.9
69.07082	1.7
70.06594	2.4
71.07378	17.1
71.09576	1.1
71.52486	1.1
72.08163	44.1
79.05497	58.6
81.07072	7.3
83.04982	1.6
91.05486	25.1
93.07051	18.5
94.04202	13.6
94.06520	1.5
95.04986	11.3
95.08614	4.9
97.05244	1.1
98.06066	1.8
102.49277	1.1
103.05460	1.1
105.07040	16.2
107.04964	1.6
107.08600	39.3
109.06542	2.3
109.71127	1.0
110.06024	1.3
112.32304	1.0
115.05420	2.1
117.07031	19.9
118.07837	1.9
119.06054	2.0
119.08585	24.2
121.06499	2.3
121.50123	1.0
122.06095	1.6
126.09180	2.5
129.07039	2.0
131.08577	23.4
133.06511	2.6
133.10121	9.5
134.51343	1.1
135.08095	2.9
136.11203	1.3
136.24248	1.0
139.02449	1.1
140.10698	1.5
141.07024	1.2
143.08591	1.5
145.06535	3.7
145.10130	13.6
147.08066	1.9
150.09207	2.5
155.08569	2.2
157.10214	2.7
159.08081	2.0
159.11778	1.7
165.11507	56.0
166.11662	1.4
173.13266	13.5
175.14835	3.5
183.11725	1.3
201.12798	3.6
202.84711	1.0
203.55881	1.1
272.20108	100.0
273.20383	1.3
290.21158	72.6
291.21335	1.2
429.53714	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.4
55.42331	0.3
57.07074	0.4
58.07441	0.3
61.89742	0.3
67.05508	0.7
69.07083	0.3
69.32738	2.1
81.07085	0.7
89.06017	0.4
91.05488	0.4
93.07053	0.4
95.08631	0.3
108.08160	0.3
109.10146	0.3
113.00025	0.3
172.03963	0.3
204.06532	0.5
225.14005	0.3
237.20404	0.3
247.12453	0.4
287.15793	0.3
301.57803	0.3
417.20981	0.5
427.19302	0.8
428.20081	0.7
440.20529	0.4
441.20789	1.2
442.21747	0.4
443.22891	0.4
444.19437	0.4
445.20392	0.9
446.21280	0.5
454.17786	1.0
455.18710	1.5
455.23483	0.6
456.23392	1.0
457.19153	0.4
457.24326	0.9
459.21814	4.6
460.22635	0.9
461.24106	0.7
467.18658	0.4
468.19757	0.8
469.19955	3.7
470.20663	2.5
471.21848	1.2
473.23517	0.6
482.21103	0.5
483.21835	11.7
484.22577	7.0
485.23480	3.6
487.25586	0.4
495.21964	0.5
496.23172	0.5
497.23569	1.3
498.24377	0.4
499.25098	1.7
502.23355	0.3
511.25885	0.4
512.23291	0.3
513.23743	0.3
519.24023	0.6
527.24670	1.2
531.24500	0.4
533.25452	0.4
541.25916	0.5
542.23145	0.4
543.23608	1.6
545.25592	0.4
546.26575	0.4
547.27252	3.1
557.25623	0.6
559.26862	0.3
570.26447	2.0
571.27185	3.3
573.28394	0.8
573.48883	0.5
574.49017	1.2
585.28760	1.0
586.29889	0.5
587.26111	1.3
590.48236	0.3
591.26001	0.4
599.26807	0.9
601.28204	1.2
606.28290	2.5
625.32300	0.4
630.28394	9.6
631.29193	4.3
643.33020	3.8
645.30603	1.2
653.32141	0.4
659.29773	0.8
673.30090	0.4
674.31000	0.4
679.53326	0.3
685.33350	0.6
703.34930	100.0
704.35138	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	699.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
68.45101	0.2
71.51984	0.3
91.05518	0.2
97.23051	0.2
113.37293	0.2
115.05530	0.2
116.51820	0.2
129.07034	0.4
130.01041	0.2
135.04475	1.2
137.05931	0.4
157.06621	0.3
173.06055	0.9
185.04274	0.6
185.05983	0.4
187.07588	0.4
202.63420	0.2
203.07100	0.3
259.07953	0.4
287.27109	0.2
293.81006	0.2
301.20331	0.3
347.09653	1.0
398.41965	0.3
421.13092	0.3
537.30432	19.2
538.31152	0.4
699.35651	100.0
700.35950	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	702.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
57.07080	5.3
58.06598	1.5
60.93668	0.4
65.03941	3.4
67.05512	0.6
69.85982	1.8
70.05199	0.5
70.06601	16.7
71.08636	3.0
72.08142	1.1
79.01869	0.4
81.07033	0.5
81.14477	0.4
83.08621	0.5
83.88133	0.4
84.08133	0.8
85.10196	1.0
86.09724	1.2
88.07642	18.5
91.05477	0.4
97.02872	0.4
98.21477	0.8
100.74917	0.4
101.81103	0.4
102.09187	12.8
116.95831	0.4
121.02885	1.2
132.10184	2.4
139.03874	0.8
146.11809	2.5
147.04431	0.7
149.02367	53.9
149.03464	4.8
150.02765	0.5
175.03954	1.6
189.09149	0.5
193.04984	28.3
212.23647	0.6
219.06624	1.2
225.05428	0.7
230.25294	0.4
237.07651	4.3
256.26376	40.5
257.26782	0.4
263.09247	0.6
297.03992	1.2
300.28976	7.6
313.07172	1.1
341.06638	5.0
359.07690	3.4
366.63666	0.4
385.09229	10.7
387.10947	0.6
403.10281	11.1
429.11862	21.3
473.14496	11.4
526.40552	0.4
573.48871	0.6
627.66321	0.5
640.35675	1.0
684.36829	0.5
702.38519	100.0
703.38770	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	699.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.2
67.05515	0.3
71.52048	0.3
79.05511	0.3
81.07057	0.2
93.07053	0.3
104.30483	0.2
126.62949	0.2
129.07021	0.3
135.04439	1.6
157.06523	0.4
160.77919	0.2
166.30138	0.2
173.06001	1.0
185.04227	0.5
185.05901	0.3
203.05302	1.9
215.07086	0.3
233.08171	0.2
259.07916	1.1
347.09558	0.9
360.16449	0.5
362.56329	0.2
365.10526	3.0
421.13336	0.9
537.30420	17.8
538.31128	0.5
699.35669	100.0
700.35907	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	699.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89253	0.3
65.03941	0.5
66.04720	0.6
69.57972	2.1
70.06584	0.9
72.97642	0.3
77.43881	0.3
79.05482	0.9
81.07040	0.3
82.88048	0.3
84.08138	0.7
85.02926	0.3
91.05491	2.2
94.04185	3.6
95.04988	0.5
100.11264	0.7
103.05489	3.0
105.07043	1.1
107.04982	0.4
109.06516	0.7
111.04533	0.4
112.50615	0.3
119.04952	1.0
122.03661	7.5
128.06226	0.4
129.07019	0.4
131.04935	4.9
133.06483	0.8
135.04434	0.3
137.05988	100.0
138.06284	0.8
145.06512	0.6
146.03584	0.3
147.04436	0.7
147.50874	0.3
149.05995	1.1
151.03900	1.1
151.07550	4.0
153.05545	0.3
153.06938	0.6
155.08604	0.6
157.06502	0.5
158.07217	0.3
159.08090	0.7
161.05991	3.3
163.07559	4.1
165.06999	1.3
167.08569	1.0
169.06541	0.4
171.08031	0.5
175.07579	1.9
177.05522	0.8
177.09081	0.5
179.07050	0.7
181.06509	2.7
182.07259	0.7
183.08073	0.7
185.09689	0.4
187.07539	2.8
189.09111	0.5
191.08626	0.3
193.06468	1.0
194.07161	0.6
195.08069	1.0
197.06163	0.3
197.09679	0.4
198.06714	0.4
199.07533	1.1
200.08311	0.5
201.09085	1.1
205.08665	1.0
207.08151	0.4
210.06912	0.7
211.07620	1.6
211.09349	0.3
212.08226	0.4
213.09105	1.6
215.07085	0.5
215.10670	1.5
217.08475	0.4
219.08134	0.4
220.08710	0.3
221.05994	0.9
223.07513	0.7
224.08258	0.5
225.09200	1.6
227.07101	0.6
227.10785	0.9
229.08421	1.4
231.07933	0.5
237.09149	0.4
238.06294	0.5
238.58905	0.3
241.08591	0.9
243.10313	1.0
247.07533	0.5
248.08273	0.5
251.10672	0.6
253.08659	2.0
255.10239	0.6
257.09680	0.4
259.09760	1.2
261.09073	0.4
265.08606	0.9
267.10193	1.0
269.09689	0.6
270.08963	0.3
271.07510	0.3
273.09015	0.4
277.08743	0.4
279.10162	0.9
283.09705	0.4
285.11282	6.9
287.07156	0.4
287.10007	0.4
287.12985	1.6
291.10184	1.0
297.11252	1.0
309.11292	0.5
311.12808	1.2
314.09457	0.4
317.11819	0.9
319.09906	0.4
319.13287	0.5
323.12894	1.7
329.11740	1.2
332.48932	0.3
333.11224	0.5
335.12708	0.9
337.14337	0.4
345.11118	0.5
347.12897	1.5
349.14441	2.8
351.15921	2.5
353.13971	0.5
359.12885	0.4
361.14426	1.6
365.13571	0.6
367.15494	1.4
379.15411	2.5
383.14911	0.5
391.15250	0.3
397.16534	2.5
443.15121	0.5
471.18103	0.8
483.17722	0.6
485.19650	0.6
495.18076	0.6
497.19672	1.1
499.17014	0.4
501.18860	1.1
509.19724	0.9
511.57300	0.3
513.19165	0.7
515.20734	1.3
527.20654	1.5
531.20355	0.7
533.22015	0.6
545.21735	0.5
581.21881	0.7
621.24432	1.2
633.25201	1.5
651.25720	3.3
663.25757	0.9
669.26581	0.7
681.27008	6.4
698.52466	0.6
699.26819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.9
56.05030	3.6
57.07068	2.7
67.05515	10.4
69.07078	5.0
70.06598	1.4
71.08643	1.2
71.52649	1.0
79.05512	5.7
80.04998	4.1
81.05800	2.1
81.07061	8.2
82.06598	7.7
83.08625	3.1
84.96640	1.0
85.02905	1.9
91.05470	6.0
93.07048	8.4
94.06577	22.1
95.07354	4.5
95.08614	5.5
96.08142	5.1
97.10206	1.1
105.07032	3.5
107.08572	2.0
108.08127	2.7
109.10169	2.6
113.26099	1.1
114.19663	1.1
119.08565	4.0
121.10158	2.4
122.09666	2.8
123.11729	1.3
133.10109	2.1
147.11737	1.2
197.25078	1.1
204.89211	1.1
219.21213	1.2
219.55133	1.0
245.22743	2.7
250.25285	3.6
256.26367	3.2
262.25323	100.0
262.58377	1.0
263.25693	2.7
280.26413	8.9
427.00714	1.3
500.48264	8.9
502.49594	2.0
518.49396	24.0
519.49188	1.4
680.54700	10.4
703.10498	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.1
53.03947	6.2
55.01884	8.8
55.05517	37.5
57.03448	10.4
57.07082	6.8
59.04997	1.0
64.51095	1.1
65.03934	4.0
67.05511	100.0
69.03422	3.1
69.07076	31.2
71.04995	5.4
71.08639	24.7
71.23251	2.1
79.05501	66.7
81.03439	8.5
81.07064	98.5
83.04990	16.7
83.08633	23.1
85.06566	6.1
85.10198	2.1
89.73512	1.1
91.05489	57.9
93.07053	78.8
94.07413	1.2
95.04979	16.4
95.08614	51.9
97.06543	15.6
97.10172	12.2
99.04466	1.5
99.08102	21.5
103.05490	1.4
105.04523	2.5
105.07043	37.7
107.04966	3.9
107.08604	37.7
109.06546	5.5
109.10168	17.5
111.08111	10.1
113.09620	3.4
115.05486	1.6
117.07018	17.5
119.08598	24.0
121.06514	3.8
121.10157	24.2
123.08072	4.4
123.11687	6.3
125.09654	9.6
127.07533	1.3
128.06210	2.3
129.07024	6.4
131.08588	23.5
133.06512	1.9
133.10147	25.0
135.08063	3.9
135.11691	19.3
137.09593	5.4
137.13194	2.0
139.11192	5.1
141.06953	1.5
141.12706	1.8
143.08578	8.5
145.06534	1.2
145.10112	10.6
147.08044	1.9
147.11688	13.9
149.09621	2.7
149.13266	22.0
151.11191	28.4
153.12798	1.4
155.08563	3.8
157.10190	7.3
159.11719	13.2
161.09605	2.5
161.13249	11.2
163.11166	12.6
163.14804	1.6
165.12764	3.8
167.14316	1.8
169.10117	2.1
171.10345	1.3
171.11673	6.1
173.11781	3.1
173.13304	4.9
175.14825	3.8
177.12741	6.7
179.14346	8.6
183.11679	1.7
185.13286	4.3
187.14867	2.3
189.11250	5.9
189.12801	2.1
193.12344	1.5
195.12083	1.5
195.13837	9.9
197.13327	2.8
199.14775	3.3
207.13802	1.2
211.14931	2.3
213.14825	2.0
220.62543	1.2
227.12773	13.8
227.17932	1.2
229.14264	2.4
231.21100	2.9
233.15289	1.3
241.19476	6.4
245.13707	2.1
249.22223	1.5
251.16429	4.1
253.18060	2.0
259.20596	9.9
261.22211	1.2
267.15878	1.8
269.17471	43.1
277.18814	2.2
277.21671	31.9
279.23407	1.1
293.21024	1.7
295.22684	2.1
301.25049	1.5
324.55035	1.3
327.23148	1.5
333.24295	2.6
337.25314	1.5
343.26001	1.5
351.25333	43.2
367.24811	2.8
369.26340	1.6
371.25980	1.3
389.26581	2.0
404.35492	1.2
424.04153	1.3
425.34125	1.7
431.27859	4.8
435.32336	2.5
439.26547	1.8
445.29492	6.0
447.31024	4.0
453.33670	3.9
463.30585	44.7
471.34665	3.4
489.36118	2.3
513.35797	1.3
517.38843	2.7
521.34747	1.7
527.37341	8.1
529.38452	2.4
531.37054	1.6
536.79688	1.3
545.38440	53.2
546.39404	1.5
563.39313	9.0
605.14606	1.4
627.45978	4.9
645.46918	2.2
699.44604	1.3
727.77106	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19796	1.2
53.03944	1.8
53.05417	1.2
55.05270	2.2
55.05516	29.9
57.03445	8.7
57.07076	17.3
58.91866	1.3
61.02933	29.4
67.05513	33.6
68.95084	1.2
69.03423	2.1
69.07076	50.8
70.13809	5.6
71.05000	3.6
71.08636	11.2
72.08156	1.9
73.02920	7.7
75.04490	2.1
79.05496	12.6
81.03429	2.3
81.07066	49.1
83.08147	2.6
83.08628	36.8
85.02910	33.9
85.06532	2.7
85.10183	7.1
91.03961	28.7
91.05468	3.3
93.07051	21.9
95.08618	46.2
97.02904	17.5
97.06534	5.7
97.10178	29.2
98.21468	1.9
99.08095	2.8
100.10497	1.3
107.08612	16.1
107.30251	1.3
109.02898	1.4
109.10171	22.6
111.08099	6.0
111.11734	10.8
115.03923	1.9
121.10154	33.0
121.11033	1.6
122.03602	1.5
123.11747	9.1
125.09618	2.8
125.13283	2.6
127.03909	11.3
129.07024	2.3
135.11699	30.0
137.05983	21.6
137.13300	3.1
139.11226	4.1
145.04953	17.1
145.06569	1.6
149.13269	12.5
151.03984	2.2
151.07568	3.9
151.14850	6.0
153.12747	1.5
157.06519	1.6
161.05952	2.0
163.06047	31.2
163.14816	4.6
165.16455	4.6
174.06712	1.5
175.07556	4.8
177.16405	2.7
178.45110	1.4
181.15862	1.6
182.95715	1.5
187.07523	2.6
189.09079	7.7
201.09166	1.6
211.07585	1.6
213.09090	6.9
217.08551	2.4
219.08095	2.2
223.07565	1.8
224.08388	1.8
227.10703	1.5
235.07542	2.3
241.08615	13.4
242.08820	1.3
247.07568	2.3
247.24243	34.7
248.08376	2.3
249.09018	1.7
250.09862	1.4
251.10831	1.9
255.10222	3.5
262.09900	1.9
263.06918	1.6
263.10681	3.0
264.07816	2.7
265.25287	97.8
266.25592	2.3
267.10260	1.8
277.08600	1.8
279.10141	3.6
280.10986	1.8
281.11884	2.3
283.23340	1.6
283.26358	20.2
289.08707	2.9
291.10159	3.7
297.11081	1.9
306.08829	1.3
307.09680	4.6
308.10266	2.5
309.10898	1.7
321.11249	3.2
323.09045	1.7
325.10843	2.5
337.10922	2.0
339.28970	100.0
340.29373	3.2
355.11877	2.4
357.30029	75.9
367.75317	1.6
385.10928	1.4
429.13635	2.1
633.20630	4.0
651.21777	2.6
698.48029	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	698.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
53.17639	0.8
55.01842	1.6
55.05513	22.4
56.49455	0.8
57.03442	6.5
57.06830	1.6
57.07082	14.7
61.02929	20.0
67.05508	28.2
68.02908	0.7
69.03410	3.1
69.07071	41.4
69.48955	5.8
71.04986	2.1
71.08649	9.6
73.02924	9.0
75.04488	2.0
79.05497	13.6
80.77320	0.8
81.03423	1.4
81.07062	41.1
83.04966	1.6
83.08624	33.9
84.60131	0.9
85.02908	24.7
85.06540	2.2
85.10174	4.9
91.03423	1.6
91.03958	22.5
91.05473	2.1
93.07045	20.0
95.08610	35.9
97.02888	10.5
97.06526	6.6
97.09557	1.2
97.10173	23.8
99.04436	1.8
99.08095	2.5
107.08598	16.9
109.10157	21.4
110.69629	1.0
111.08094	5.2
111.11726	8.2
113.09640	1.3
115.03953	1.4
115.07546	1.3
121.10148	35.4
123.11717	8.5
125.09637	3.4
125.13245	1.7
127.03919	7.5
135.10704	2.0
135.11700	28.2
136.06175	1.8
137.05966	3.4
137.13237	2.3
139.11174	2.2
143.14258	1.3
145.04959	11.0
149.13260	12.5
151.14810	3.9
153.12717	1.7
163.06017	18.9
163.14827	5.9
165.16328	5.6
167.14203	1.4
177.16335	2.8
181.15829	1.2
187.07597	1.0
189.09093	2.0
191.17941	2.2
195.17470	1.1
203.30717	1.0
205.19533	1.1
213.18407	1.1
247.24222	29.6
265.25281	86.9
266.25464	1.7
283.26309	19.5
339.28949	100.0
340.29269	1.9
357.30005	66.7
358.30142	1.2
501.34442	5.7
555.14606	1.1
617.39661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
57.03439	7.6
59.04994	1.2
61.02927	1.4
65.03931	1.4
66.12167	0.9
67.05501	1.8
69.03435	23.9
70.06590	3.6
71.52268	1.5
72.08157	1.1
73.02908	1.4
73.70052	0.9
79.05496	1.9
81.03421	13.0
84.08153	2.7
85.02911	15.7
86.09710	2.2
87.04466	14.9
91.05487	1.9
93.03372	1.1
93.07052	1.4
94.91616	0.9
97.02901	19.2
97.06550	1.4
105.07051	2.4
107.04952	1.9
107.08494	1.2
109.02881	2.8
109.10136	1.4
115.03944	17.8
115.05445	1.5
116.07080	1.1
120.08110	1.9
121.02892	1.0
121.06535	1.1
123.04476	1.0
127.03936	2.5
128.06244	1.0
129.10245	1.6
131.04968	1.9
131.08560	1.5
133.02838	2.4
133.04971	16.9
133.06488	1.6
133.10170	1.1
135.04405	2.2
135.08112	1.2
136.05186	1.7
137.02292	1.7
137.05984	5.5
139.03906	1.9
139.07567	1.0
145.02864	1.1
145.05037	2.3
145.06474	2.9
146.07262	1.1
147.04448	1.9
149.09740	1.0
151.03917	51.7
151.07550	84.5
152.07997	1.3
157.06516	3.8
158.07277	7.6
159.04469	5.8
159.08002	2.2
161.06017	5.9
163.03949	2.4
167.03378	1.6
172.08859	4.4
173.06010	3.4
174.06792	14.8
175.03970	3.7
175.07570	3.5
177.09117	4.1
186.06750	3.3
187.07565	4.7
188.08351	8.1
189.05498	6.6
189.07396	2.5
189.09117	50.5
201.05626	5.1
201.09119	100.0
202.09865	15.8
203.10693	12.5
213.09106	1.4
219.06712	2.1
219.10158	31.7
231.06570	1.8
231.10182	22.4
232.10851	1.4
238.09932	1.2
247.07523	1.7
249.07193	7.8
249.11261	36.7
253.71648	1.0
261.09116	2.1
262.09879	3.6
263.07031	3.6
270.79382	1.0
275.06924	2.1
277.08621	7.3
278.09479	3.0
279.10040	1.1
280.10913	1.2
289.08658	1.2
290.09457	4.8
291.06403	2.0
291.10052	1.6
293.08173	1.6
293.11725	3.4
294.08917	2.0
298.08472	1.4
305.08173	2.7
306.08746	2.4
307.09674	3.7
308.10397	3.9
309.11301	1.9
311.12714	1.2
319.09616	2.3
320.10468	3.7
321.07806	1.7
321.11237	7.1
324.09897	4.0
336.09949	2.8
339.12280	11.2
351.12320	24.2
369.13358	80.6
370.13898	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	697.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.7
53.03931	1.0
54.64597	1.2
55.01866	2.1
65.03912	1.7
66.77528	0.9
67.05517	1.0
71.52840	1.3
79.05499	5.1
81.03424	3.7
83.04995	1.1
87.20557	0.9
90.16017	1.1
91.05486	3.1
91.71995	0.9
95.04969	2.2
98.32803	1.0
101.20598	0.9
103.05472	3.7
105.03437	2.2
105.07042	1.2
107.04960	2.8
110.07150	1.0
111.04428	1.1
111.44738	0.9
115.05444	7.4
117.07027	3.6
121.02905	1.6
123.04469	3.1
124.75013	1.0
128.06219	3.0
129.07016	7.7
131.04906	6.1
135.04428	100.0
137.02403	1.5
137.06042	1.0
143.04916	5.7
145.06483	7.6
147.04437	2.9
147.08061	1.0
149.02388	3.5
149.06035	1.3
151.03949	2.5
151.07550	10.2
155.06102	1.6
157.06487	8.6
158.07286	2.0
159.04420	4.1
159.08060	1.3
160.08922	1.0
161.05991	4.5
163.03914	1.0
165.07056	2.1
167.08664	1.6
169.06480	2.8
171.04460	1.4
171.08014	1.1
172.08781	1.3
173.05983	23.3
173.07362	1.7
174.06744	3.3
175.03905	1.8
175.07587	3.0
177.09140	3.6
179.07065	1.6
179.08475	1.7
181.06479	3.6
182.07294	4.2
185.06000	12.7
186.06688	1.5
187.07588	9.6
188.08318	3.0
189.07150	2.7
189.09103	17.0
190.07771	1.2
191.08600	3.0
195.08075	4.2
196.08847	2.2
197.05984	6.2
198.06790	2.8
199.07591	3.4
201.05493	1.8
201.09122	7.5
202.07935	1.6
202.09822	1.7
203.07007	7.7
203.08678	2.3
203.10684	3.8
204.05333	1.0
205.06607	2.4
205.08447	2.3
206.07401	1.0
206.16115	1.0
207.08165	4.7
208.08905	1.7
209.05933	2.8
209.09589	1.7
210.06706	1.0
210.10481	1.0
211.07593	6.5
211.56795	1.1
212.08356	4.3
213.05582	2.1
213.09119	22.9
215.07054	4.1
215.10637	2.3
217.06688	1.8
217.08502	6.4
218.07295	1.6
219.08124	8.3
219.10010	1.9
220.08783	2.3
221.06018	1.3
221.09682	2.0
222.10422	1.5
223.07625	4.6
224.08372	5.4
225.05516	3.0
225.09074	4.3
226.06343	2.0
226.09959	1.5
227.07028	2.9
227.10722	3.9
228.07751	1.9
231.08070	1.4
231.10147	2.4
232.08826	3.8
233.05971	3.2
233.08136	2.7
234.06769	1.8
235.07524	8.3
236.08336	2.1
237.05470	2.4
237.09154	3.5
238.06291	2.3
238.09923	3.2
239.06966	1.4
239.10625	5.1
240.07863	2.8
240.11716	1.1
241.08611	62.5
242.09280	5.9
243.10155	8.0
246.06769	1.7
247.07568	7.7
248.08345	8.8
249.05495	1.9
249.09120	6.5
250.09912	3.4
251.07002	4.5
251.10612	6.5
253.04901	2.0
253.08746	2.8
253.12254	2.4
254.09439	2.4
255.10165	17.2
257.11560	2.1
259.07611	1.8
260.08350	1.5
261.09192	3.0
262.09897	2.2
263.07147	6.8
263.10660	12.3
264.07843	4.0
265.08527	8.2
266.09436	4.4
267.06577	1.6
267.10272	4.3
268.10950	1.5
269.08145	3.6
269.11731	3.1
271.09622	3.5
275.06985	2.7
276.07767	2.9
277.08603	8.6
278.09497	3.0
279.06885	1.6
279.10165	13.6
280.08005	1.2
280.10938	4.3
281.08209	2.9
281.11774	7.1
283.09628	2.9
287.09515	1.4
289.08600	10.2
290.09399	5.2
291.06955	1.7
291.10132	16.3
292.10605	1.1
293.08105	9.2
293.11191	1.8
294.09018	1.3
295.09595	5.0
297.11230	7.9
299.12692	1.1
305.08060	6.5
306.08939	2.9
307.09634	19.8
308.10532	6.1
309.11243	8.9
311.12711	1.4
317.08307	1.3
319.09705	3.2
320.10510	8.0
321.11221	8.8
323.09122	4.8
325.10815	6.0
326.11646	1.3
327.12241	3.0
335.09256	2.2
337.10733	5.7
338.11420	1.4
339.12296	3.1
353.10275	8.5
355.11768	3.9
379.11728	1.7
407.11710	1.4
417.13400	1.8
429.13199	2.2
445.12457	1.9
447.14233	3.3
451.15518	1.2
465.15561	2.1
481.16605	1.9
485.16275	1.3
509.16119	1.2
527.16724	2.1
543.14050	1.2
551.98187	1.2
573.18512	1.7
583.17157	1.5
585.18750	1.6
601.18475	5.0
603.19897	4.7
613.18408	3.7
619.19281	3.4
621.21130	1.7
631.19763	11.3
637.20520	1.4
649.20728	12.0
651.84863	1.3
652.63629	1.3
661.20319	3.2
667.21375	3.4
679.21338	3.6
697.22540	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	697.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78147	0.4
51.02386	0.8
53.03950	0.8
55.01873	1.9
55.05511	1.7
57.03445	0.6
57.07087	0.8
61.02926	1.2
65.03960	0.9
67.05512	4.7
69.03437	0.5
69.07076	2.0
69.93055	2.2
73.02914	0.4
77.03944	0.9
79.05500	5.0
81.03438	3.2
81.07066	5.6
83.04984	0.7
83.08636	1.3
83.59997	0.4
85.02912	1.9
91.03955	1.2
91.05482	3.0
93.03407	1.1
93.07044	1.4
95.04972	1.7
95.08609	4.0
97.02921	1.1
97.06512	0.5
98.21422	0.6
101.50205	0.4
103.05472	3.3
105.03415	2.0
105.04487	0.9
105.07030	1.8
107.04945	2.6
107.08610	0.8
109.02872	1.0
109.10155	2.3
111.04464	1.1
115.05463	7.9
117.07015	3.7
119.04967	1.0
119.08599	1.3
121.02901	1.7
121.06449	0.5
121.10151	0.9
123.04417	3.1
123.11749	0.7
125.02353	0.4
127.05409	0.6
128.06235	2.9
129.07011	8.4
131.04929	5.9
131.08591	0.8
133.06525	1.0
133.10190	0.9
134.03699	0.5
135.04428	100.0
136.04800	0.5
137.05989	1.1
139.03973	0.4
141.07028	1.1
143.04953	5.7
144.05716	1.6
145.04906	0.4
145.05350	0.6
145.06502	7.7
146.07304	1.3
147.04424	2.3
147.08107	0.5
147.11700	0.9
148.05133	0.5
149.02341	4.4
149.06009	1.9
149.13287	0.9
151.03928	2.4
151.07541	8.6
152.06267	1.0
153.07013	1.2
155.04916	0.8
155.06023	1.0
155.08591	0.6
157.06497	6.9
158.07310	2.2
159.04442	4.0
159.08089	1.4
160.05179	0.9
160.08826	0.6
161.05998	6.7
161.13260	0.9
162.06860	0.9
163.03923	1.8
163.70276	0.5
165.01949	0.5
165.05569	0.8
165.07002	2.2
165.16429	0.6
166.07791	0.7
167.08595	1.0
168.05756	0.9
169.06525	2.4
170.07211	0.7
171.04457	1.5
171.08084	1.1
172.05251	0.7
172.08824	0.8
173.06007	23.3
174.06827	2.7
175.03918	1.2
175.07539	3.7
175.14830	0.6
176.06313	0.5
176.08394	1.3
177.05457	1.3
177.06943	0.7
177.09145	2.6
178.07787	1.6
179.07037	1.9
179.08560	1.7
180.05702	0.8
181.06512	2.7
182.07315	3.7
183.04442	0.6
183.08051	1.7
184.08827	0.4
185.05989	14.1
186.06686	1.2
187.07564	9.0
188.08391	2.5
189.05504	0.7
189.07051	2.2
189.09113	15.3
190.07779	1.7
190.09743	0.6
191.08577	3.5
191.10359	0.7
193.06500	0.9
194.07310	1.5
195.06483	0.6
195.08086	3.9
196.08759	2.1
197.06006	5.8
197.09624	0.6
198.06798	3.4
199.07605	1.9
201.05466	1.9
201.09120	7.0
202.07838	1.6
202.09781	1.1
203.07022	6.2
203.08659	2.1
203.10594	5.0
205.06496	4.3
205.08585	1.9
206.07317	1.5
207.08057	5.1
208.08824	2.1
209.06027	3.6
209.09633	2.1
210.06805	1.4
210.10422	0.7
211.07574	4.8
212.08368	4.2
213.05583	1.5
213.09122	24.8
215.06981	4.1
215.10687	1.6
216.07874	0.9
217.06522	1.3
217.08540	6.1
218.07358	2.3
218.09041	0.5
219.08101	9.4
219.10091	1.0
220.08823	1.9
221.05972	1.9
221.09572	2.1
222.06760	1.1
222.10446	1.2
223.07510	4.4
224.08333	4.9
225.05522	3.2
225.09047	4.2
226.06288	1.9
226.09877	1.5
227.07100	2.8
227.10692	4.6
228.07829	2.1
229.08563	1.0
231.08417	2.4
231.09892	2.4
232.08861	4.0
233.05983	3.9
233.08142	2.5
234.06732	2.4
235.07539	9.2
236.08286	2.4
237.05534	1.8
237.09109	3.4
238.06271	1.8
238.09856	2.1
239.07039	1.1
239.10692	6.2
240.07854	3.2
240.11537	1.0
241.08611	60.3
242.09355	5.7
243.08044	0.7
243.10181	7.0
245.06044	0.5
245.09641	0.7
245.22749	1.8
246.06705	0.6
246.23012	1.0
247.07564	8.3
248.08342	8.3
249.05470	2.0
249.09102	6.4
249.11264	0.8
250.06261	1.1
250.09941	2.8
251.07140	3.7
251.10684	6.5
252.07851	1.0
252.11494	1.1
253.04996	2.0
253.08632	2.7
253.12260	1.3
254.05731	0.9
254.09409	1.9
255.07405	0.9
255.10188	14.3
256.10825	0.8
257.08105	0.8
257.11768	1.8
259.07532	1.9
260.08295	1.6
261.05518	1.0
261.09103	2.0
262.06339	1.3
262.09903	2.6
263.07080	5.4
263.10684	10.9
263.13071	0.4
263.23737	3.0
264.07919	4.4
264.10892	0.7
264.24088	1.3
265.05286	0.9
265.08578	7.3
266.06360	0.7
266.09326	5.1
267.06552	1.3
267.10190	4.8
268.10910	0.6
269.08377	3.4
269.11624	4.2
271.09760	2.9
273.11414	0.9
275.07043	4.3
276.07800	2.4
277.08600	8.0
278.05783	1.4
278.09357	3.8
279.06662	1.6
279.10168	14.2
280.07907	0.9
280.10858	4.5
281.08209	1.6
281.11752	7.1
282.08871	1.3
283.09674	3.4
284.10489	0.6
285.11426	0.7
287.09225	1.8
289.08603	9.1
290.09314	4.4
291.06601	2.4
291.10098	14.5
292.07291	1.5
292.10364	0.6
293.08118	8.6
294.08908	2.1
295.09698	5.0
297.11267	4.1
298.11905	0.9
299.13055	0.6
301.08435	0.5
303.06363	0.6
303.09998	0.9
305.08151	4.9
306.08856	2.1
307.09659	17.6
308.10403	7.0
309.07867	0.6
309.11246	7.5
311.09317	0.8
311.12753	0.7
313.10754	1.1
317.08173	0.7
319.06241	0.7
319.09488	2.6
320.10391	6.5
321.07697	0.7
321.11221	8.7
323.09210	3.9
324.10114	0.8
325.10690	7.0
326.11487	1.6
327.12415	2.8
331.10034	0.8
333.07553	0.7
335.09067	1.5
337.10806	5.4
337.27350	2.3
338.11456	1.3
338.27713	0.9
339.12479	2.5
341.10236	1.3
343.10117	0.5
347.08948	0.6
349.10690	0.7
353.10251	7.4
355.11844	4.2
356.12567	0.9
357.07523	0.6
359.08829	0.7
367.11548	1.6
379.11804	1.7
387.12411	0.7
389.10162	0.5
393.09689	1.1
395.11823	0.6
399.12262	1.1
401.13754	0.6
411.12134	0.9
417.13290	1.3
419.14844	1.0
429.13580	2.9
435.14432	1.5
445.12790	3.6
447.14395	2.3
463.14590	0.5
465.15286	0.9
467.14917	2.1
479.15182	1.0
481.16406	1.0
485.15854	1.6
493.14886	1.0
497.15753	1.5
499.17236	1.5
503.12949	0.5
509.15533	1.0
515.16321	1.1
527.16949	2.9
529.18494	0.7
555.18262	0.7
557.17963	0.8
571.17352	0.6
573.19147	1.5
583.17291	1.5
585.19312	0.9
589.18445	0.8
591.19934	0.7
601.18732	5.3
603.20172	5.2
607.19403	0.7
608.16376	0.8
613.18774	3.7
615.20673	0.5
619.19513	4.6
621.21399	2.5
631.19690	14.0
633.21356	0.6
637.20166	0.8
649.20624	12.5
650.20673	0.9
661.20367	2.3
667.21692	3.8
679.21722	3.3
697.23016	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	697.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.6
53.03935	0.8
55.01876	2.3
59.91004	0.4
65.03938	1.2
67.05500	1.4
67.69191	0.4
69.51335	2.6
71.35236	0.5
77.03945	1.4
79.05493	3.9
81.03426	3.1
81.07070	0.8
85.02914	0.5
91.05483	2.7
95.04969	1.6
95.08661	0.6
98.20781	1.0
103.05479	2.9
105.03400	1.9
105.04541	0.7
105.07039	1.5
107.04971	2.4
109.02914	0.9
111.04453	0.9
115.05465	7.6
117.07031	3.3
119.04948	1.2
119.08607	0.7
121.02876	1.5
121.06498	0.9
123.04431	3.3
128.06218	2.8
129.07014	9.1
131.04959	6.6
131.08589	1.0
133.02791	0.7
135.04428	100.0
136.05176	0.5
137.02419	0.5
137.05972	1.0
139.03905	0.6
141.06970	1.3
143.04926	5.4
144.05714	1.0
145.06488	8.1
146.07286	1.0
147.04419	1.9
147.08000	0.8
149.02354	4.0
149.05991	1.3
149.09721	0.5
151.03902	2.6
151.07552	9.9
152.06256	1.3
153.06998	1.1
155.04932	0.7
155.06062	1.0
157.06514	8.2
158.07283	1.6
159.04427	4.0
159.08008	1.1
159.43599	0.4
160.05194	1.1
160.08876	0.5
161.06003	5.5
162.06760	1.2
163.03941	1.9
165.01949	0.6
165.05457	1.2
165.07002	2.1
165.09181	0.6
166.07768	0.8
167.08629	1.1
168.05659	0.6
169.06526	2.2
171.04462	1.0
171.08012	1.4
172.05174	1.2
172.08830	1.2
173.06001	23.7
174.06783	3.3
175.03969	1.1
175.07590	2.8
176.08347	1.2
177.05542	1.0
177.06950	0.9
177.09103	2.3
178.07820	1.6
179.07065	1.4
179.08571	1.8
180.05672	0.7
181.06467	3.1
182.07230	2.7
183.08171	1.1
185.05991	12.2
186.06813	1.5
187.03964	0.6
187.07555	9.6
188.08321	3.0
189.05521	0.9
189.07112	1.9
189.09119	15.9
190.07803	1.4
191.07057	1.0
191.08598	3.3
191.10399	0.5
192.09497	0.5
193.06555	1.1
194.07274	1.4
195.08084	3.0
196.08841	2.4
197.05997	7.0
198.06778	2.4
199.07544	2.4
201.05490	1.9
201.09111	5.9
202.07893	1.0
202.09868	1.0
203.06973	5.9
203.08626	2.0
203.10478	4.1
204.07846	0.9
205.06525	3.0
205.08661	2.1
206.07278	1.5
207.08032	3.9
208.08829	2.7
209.06041	2.7
209.09621	2.1
210.06828	1.6
210.10446	0.5
211.07573	5.0
212.08311	4.6
213.05719	1.0
213.09120	23.9
214.09700	0.9
214.27138	0.4
215.07037	4.6
215.10703	1.8
216.07800	1.4
217.06535	1.8
217.08656	6.0
218.07314	2.6
219.08087	10.0
219.10159	1.1
220.08841	2.4
221.05988	2.1
221.09666	2.1
222.06708	0.9
223.07523	5.8
224.08330	4.2
225.05528	3.5
225.09079	4.0
226.06270	1.7
226.09923	1.5
227.07077	3.2
227.10675	4.5
228.07799	2.1
229.08730	1.2
229.12349	0.6
230.07294	0.6
231.08055	2.2
231.10240	2.3
232.08847	3.9
233.06018	3.4
233.08142	2.6
234.06802	1.9
235.07544	7.4
236.08253	2.4
237.05461	1.6
237.09076	3.5
238.06302	1.6
238.09843	3.0
239.07065	2.1
239.10696	6.0
240.05730	0.5
240.07745	2.5
240.11513	0.9
241.08609	60.2
242.09384	6.3
243.10178	7.9
245.06009	0.6
246.06802	1.5
247.07556	8.6
247.09836	0.6
248.08321	8.1
249.05533	1.9
249.09117	5.8
249.11284	0.9
250.06262	1.2
250.09930	2.5
251.07079	3.6
251.10686	6.5
252.07869	1.2
252.11525	0.8
253.05066	2.2
253.08614	2.9
253.12213	1.7
254.05725	1.0
254.09389	2.0
255.06374	0.6
255.10178	15.7
256.10977	1.1
257.08078	1.6
257.11536	1.1
259.07690	1.6
260.08298	1.0
261.05383	0.5
261.09155	1.7
262.06387	1.3
262.09909	2.5
263.07114	5.4
263.10724	12.9
264.07843	4.3
264.10541	0.7
265.04803	0.5
265.05753	0.8
265.08618	7.7
265.11780	0.6
265.12457	0.5
266.09396	4.7
267.06863	0.9
267.10226	4.6
268.11041	1.3
269.08173	3.6
269.11569	3.3
271.09714	3.1
273.08951	0.6
275.07098	4.6
276.07819	2.0
277.08585	8.6
278.06021	0.7
278.09451	2.9
279.06598	1.9
279.10150	13.8
280.07861	0.8
280.10968	5.1
281.08401	1.2
281.11771	6.2
283.09671	3.1
285.11420	0.7
287.09280	0.8
289.08600	9.5
290.09409	4.6
291.06668	2.4
291.10129	16.3
292.07327	1.7
292.10510	1.0
293.08145	9.6
293.11432	0.8
294.08881	2.7
295.09634	5.1
297.11279	6.1
299.12921	0.7
301.08362	0.5
302.98050	0.6
305.08099	6.0
306.08835	1.8
307.09647	18.5
308.10419	6.8
309.11249	6.8
310.11978	0.5
311.09201	1.0
313.10895	1.1
317.08099	1.1
319.09625	3.4
320.10425	6.0
321.07596	1.0
321.11203	8.6
323.09119	3.8
325.10767	5.3
326.11533	1.1
327.12567	2.5
331.09671	1.1
333.07684	0.6
335.09219	1.3
337.10681	5.5
338.11523	1.8
339.12534	2.6
341.10895	0.9
347.09247	0.6
349.10547	0.7
350.62503	0.5
353.10223	7.1
355.12027	3.6
359.09207	0.7
361.10867	0.8
367.11984	1.4
377.10123	0.9
379.11819	1.6
381.11044	0.6
389.14200	0.7
393.09705	1.1
395.11380	0.6
399.12463	0.7
401.13806	1.1
411.11829	0.8
413.13977	0.7
417.13367	1.3
419.15118	1.0
429.13354	1.7
435.14282	1.1
445.12900	2.1
447.14569	1.9
449.13727	0.9
455.11267	0.9
463.14468	0.7
465.15576	1.5
467.14819	1.1
473.12375	0.6
477.15244	1.0
479.15207	1.2
481.16559	1.0
485.16119	1.2
497.16260	1.7
499.17502	1.2
509.15961	1.0
515.17285	0.9
527.16876	2.4
557.17932	0.7
573.18878	1.7
583.17151	1.5
585.19025	1.2
589.18781	1.6
591.19220	0.9
595.16852	0.7
601.18762	4.7
602.18884	0.6
603.20361	4.5
607.19659	0.6
613.18536	3.3
619.19574	5.2
621.21564	2.7
631.19629	12.9
637.21021	1.3
649.10461	0.9
649.20758	12.8
661.20642	2.5
667.21899	2.9
679.21893	2.8
697.22351	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	697.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86889	0.4
53.11575	0.4
59.70207	0.4
67.05495	0.6
69.79784	1.4
69.80190	0.9
72.08141	0.6
83.20201	0.4
86.09659	0.6
93.14286	0.4
95.04981	0.4
98.21429	0.5
103.27738	0.4
105.07102	0.4
108.05738	0.7
121.06518	1.3
135.04413	14.7
136.01552	1.4
137.02347	1.0
139.03845	0.6
153.01741	0.5
154.02634	1.0
182.02094	1.3
197.04460	4.8
200.03255	0.6
213.05460	0.7
229.04987	1.0
241.04936	0.8
243.06569	1.4
245.08163	0.8
255.06454	2.3
256.07443	0.8
257.04364	3.1
271.06000	27.9
272.06738	5.1
283.06067	0.7
285.03925	1.7
297.07605	0.5
299.05374	2.3
300.06268	14.5
301.06815	1.2
315.08618	100.0
316.08948	2.1
329.06549	27.5
330.07147	0.7
343.08121	54.0
344.08884	22.6
345.09601	1.2
357.52219	0.5
505.10989	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01866	4.9
55.05516	18.0
57.03437	4.5
57.07079	3.4
59.04968	1.6
60.05669	1.8
60.08187	7.5
61.47790	1.4
67.05180	2.5
67.05512	33.1
69.03407	1.4
69.07079	15.9
71.05005	3.2
71.08637	24.1
79.05502	22.3
81.03431	5.1
81.07064	35.0
83.04996	5.5
83.08632	9.8
85.06525	2.8
91.05476	16.6
93.07054	25.5
95.04975	7.8
95.08605	16.5
97.06526	3.8
97.10165	8.4
99.08095	14.0
105.07053	13.8
107.04961	4.8
107.08602	17.3
109.06557	3.3
109.10159	6.2
111.08102	2.9
117.07056	5.8
119.08585	8.9
121.06514	7.3
121.10203	9.7
123.11678	1.7
125.09646	3.7
129.07027	2.9
131.08560	8.9
133.10129	9.5
135.08049	2.9
135.11728	7.2
140.76303	1.6
145.10129	3.8
147.11684	5.2
149.13280	4.2
151.11241	8.5
157.10118	1.8
159.11713	4.1
161.13293	3.5
163.11212	5.4
175.11058	1.9
177.12762	4.6
179.14334	3.2
180.75206	1.5
185.13249	2.2
195.13855	1.9
227.12793	4.9
237.15060	1.9
250.24950	1.5
262.25180	2.5
267.15878	1.6
269.17441	9.1
275.20108	7.2
277.21643	4.9
293.21127	100.0
319.69238	2.0
336.50504	1.7
351.25491	10.7
367.24802	23.0
561.37970	50.7
562.38452	2.4
637.30548	2.8
643.45990	8.2
723.28326	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	696.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05271	0.5
55.05515	5.9
55.82659	0.3
56.05053	3.3
57.03436	0.3
57.07077	2.8
58.06585	0.5
60.04531	2.2
61.02916	0.4
65.03935	0.4
67.05509	10.3
68.05021	0.6
69.03432	2.7
69.07074	7.4
69.85784	0.6
69.86191	1.1
70.06592	2.5
71.04974	0.3
71.08643	1.6
72.08168	0.6
74.06081	0.3
76.03983	0.5
79.05495	8.8
80.05019	2.2
81.03410	1.2
81.05787	1.3
81.07063	9.0
82.06584	6.0
83.08616	4.1
84.08109	0.5
85.02514	0.3
85.02912	3.0
85.10169	0.9
86.06070	0.3
91.05484	7.6
92.23012	0.3
93.05827	0.4
93.07047	8.8
94.06573	15.6
95.04956	0.9
95.07356	7.3
95.08611	7.0
96.07557	0.5
96.08131	6.2
97.02885	1.3
97.06525	0.5
97.10180	2.4
103.79375	0.3
105.07030	5.0
107.07397	0.4
107.08596	4.8
108.08128	2.7
109.02857	0.4
109.10152	2.7
110.09662	0.3
111.11724	0.5
117.07008	0.5
119.08582	4.9
121.10146	5.1
122.09686	2.0
123.11697	1.3
127.03880	0.6
133.10150	3.5
134.09647	0.4
135.10561	0.4
135.11687	2.8
136.11215	0.7
137.13348	0.4
147.11699	1.1
149.13258	0.9
151.14839	0.4
161.13248	0.7
163.14778	0.5
175.14861	0.3
193.19588	0.4
219.21117	0.8
220.20697	0.4
233.22655	3.2
234.22028	0.4
245.22679	4.6
247.24200	0.4
250.25333	5.9
254.24788	1.3
262.25308	100.0
263.23480	0.7
263.25687	1.0
264.26913	0.6
272.25870	5.8
277.03336	0.3
280.26361	5.6
312.25333	1.0
442.31482	0.8
468.15634	0.3
491.90152	0.4
504.47760	4.5
516.47791	30.9
517.48041	1.0
518.49377	9.2
534.48804	6.7
696.54126	6.5
722.60010	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.5
54.88721	2.1
55.01868	7.6
55.05521	35.9
57.03449	12.1
57.07077	6.3
65.03939	6.1
67.05512	85.1
69.07080	39.4
69.66769	9.8
70.06597	22.4
71.04992	5.9
71.08641	16.3
77.03970	2.5
79.05498	70.9
81.03447	11.7
81.07066	100.0
83.04993	12.1
83.08630	19.1
85.06540	6.8
91.05486	57.7
93.06481	4.6
93.07056	76.1
95.05000	17.7
95.08611	51.4
97.06536	16.0
97.10165	9.4
99.08108	15.7
105.04526	2.9
105.07045	44.9
107.04976	7.2
107.08610	46.9
109.06519	9.2
109.10159	17.9
111.08083	8.9
116.07092	35.9
117.07047	19.0
119.08590	30.3
121.06526	4.6
121.10148	22.2
123.08089	6.7
123.11721	6.6
125.09654	9.1
128.06203	3.4
129.07011	9.2
131.08577	22.8
133.10161	34.2
135.08040	6.4
135.11687	24.7
137.09665	4.7
139.07616	2.5
139.11191	4.8
141.06992	4.6
141.41612	2.9
143.08582	9.7
145.10136	19.9
147.08086	3.8
147.11696	18.2
149.09683	10.0
149.13257	17.2
151.11211	9.8
153.12798	2.6
157.10162	7.2
159.11711	17.0
161.13261	10.1
163.11142	12.0
169.10135	5.2
171.11694	5.7
173.13206	5.5
175.11194	4.4
175.14812	3.9
177.12718	4.2
179.14316	4.9
181.10170	2.9
181.12207	3.0
183.11812	2.9
185.13268	5.2
187.14850	3.4
189.11313	2.4
192.91069	2.3
195.13847	10.2
197.13223	4.4
199.14766	4.3
227.12862	11.4
229.14325	2.2
241.19644	2.2
247.20432	2.8
251.16185	2.8
253.17758	2.5
255.15912	9.0
257.19122	4.0
259.20554	5.3
262.25284	5.3
269.17514	33.2
275.20096	21.7
277.21637	16.6
293.21045	2.2
313.21390	2.8
331.22513	3.2
349.23755	16.0
351.25372	18.6
367.24814	2.7
383.96835	2.1
445.29465	2.8
447.30984	3.1
449.29132	16.4
463.30582	29.5
505.39188	2.7
525.35535	2.8
527.37329	3.1
531.36682	3.9
543.36877	18.5
545.38531	15.4
561.37250	5.0
625.44336	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	696.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01868	1.6
55.05513	13.5
57.03434	6.1
57.07078	8.8
57.87381	0.8
61.02927	21.0
64.44771	0.8
65.03925	2.0
66.27550	0.9
67.05507	62.2
69.03410	2.7
69.06731	1.5
69.07068	20.0
70.17007	3.3
70.17402	1.8
71.04991	2.2
71.08631	5.1
73.02620	0.7
73.02922	6.9
79.05498	15.6
80.20119	0.8
81.03397	2.1
81.07056	70.0
83.04990	1.9
83.08165	0.8
83.08618	15.4
85.02905	28.7
85.06537	2.1
85.10175	2.8
91.03405	1.5
91.03957	19.8
91.05480	13.8
93.06479	1.5
93.07042	19.6
95.04946	1.1
95.08608	61.1
97.02394	1.0
97.02896	12.9
97.06530	6.4
97.10169	11.3
99.04437	1.4
99.08097	3.2
103.03951	1.0
105.07027	9.7
107.08596	13.2
109.02870	1.1
109.06521	1.1
109.10155	33.8
111.08095	2.9
111.11700	3.7
113.09634	2.4
115.03968	1.4
117.07043	0.9
119.08584	9.6
121.09335	1.3
121.10149	19.1
123.10954	1.3
123.11717	17.0
125.09589	1.6
125.13306	1.2
127.03900	10.0
128.72835	0.9
129.06955	1.9
131.04889	1.1
133.10135	14.0
135.04425	15.3
135.11682	10.6
137.13268	7.5
141.12712	3.2
145.04945	11.6
145.06491	1.9
147.11685	9.4
149.13268	9.7
151.03838	1.0
151.11214	1.2
151.14803	6.2
153.12715	1.0
155.14357	4.3
161.13255	13.5
163.06012	20.1
163.14824	8.8
165.12741	1.3
165.16438	9.5
173.05968	3.4
175.07516	1.0
175.14850	9.0
177.16394	2.1
177.61380	0.9
179.17953	8.2
181.15802	1.5
183.08017	1.0
185.05965	1.9
187.07651	1.5
189.09068	1.8
189.16367	4.5
193.15901	1.9
198.06575	1.0
201.09172	1.1
203.07014	1.2
203.17952	1.8
207.17462	1.4
212.08376	1.6
213.09135	3.5
217.19446	2.5
221.19089	1.2
225.09113	1.3
238.09689	0.9
241.08603	8.3
245.22650	59.6
247.07481	1.1
247.23958	0.9
248.08189	1.9
251.07324	0.9
251.10503	1.4
255.10231	2.1
261.08896	1.0
263.10675	1.7
263.23712	100.0
264.23990	1.7
265.08591	1.3
265.25208	2.2
279.10132	2.2
281.24646	3.7
289.08453	1.1
291.10114	2.5
293.07938	1.2
301.22366	1.0
307.09573	2.0
308.10349	1.8
309.11285	1.1
337.10864	1.2
337.27359	67.6
353.10352	1.4
355.28354	16.6
463.30344	1.0
499.32867	7.1
631.19458	1.9
649.20233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.05517	12.6
57.03431	5.8
57.07085	5.9
61.02934	20.9
65.03930	1.5
67.05509	55.9
69.03441	1.9
69.06729	1.5
69.07076	16.9
71.05000	1.5
71.08627	4.3
71.52881	1.2
73.02930	9.8
73.87270	0.9
79.05070	1.5
79.05502	14.0
81.03413	3.0
81.07063	62.8
83.08628	14.3
85.02910	27.7
85.06564	2.1
85.10178	2.5
91.03962	20.0
91.05489	9.7
93.07050	19.4
95.08611	55.7
97.02914	12.6
97.06531	4.6
97.10193	9.8
97.89289	1.0
99.04445	1.3
99.08092	3.5
105.07030	9.8
107.08610	13.7
109.10165	29.8
111.08081	2.7
111.11707	3.9
113.09663	2.4
115.03912	1.4
119.08608	10.4
121.10146	17.7
123.11720	16.0
127.03910	9.4
127.11145	1.1
131.08566	0.9
133.10139	10.8
133.73547	0.9
135.11702	11.2
137.05972	1.6
137.09598	1.5
137.13257	6.8
139.11258	1.7
141.12741	3.3
145.04977	13.4
147.11674	8.2
149.13289	10.3
151.11168	0.9
151.14798	7.4
155.14313	2.9
161.13295	12.7
163.06036	25.8
163.14833	10.0
165.12733	1.1
165.16403	8.5
175.07495	1.9
175.14813	8.6
177.16405	1.5
179.14282	2.2
179.17996	7.2
181.15868	1.2
189.16393	4.2
203.17979	1.5
207.17381	1.4
217.19562	1.6
245.22673	59.7
246.22874	1.4
247.24303	1.4
256.15152	0.9
263.23727	100.0
264.24063	1.9
265.25241	2.4
281.24835	1.8
312.02881	0.9
337.27386	46.0
355.28473	11.8
556.66943	1.1
619.30420	1.1
623.81976	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90345	0.8
55.01868	1.7
56.23283	0.9
57.03443	2.1
58.06605	1.5
61.02917	1.7
65.03970	1.1
67.05494	0.8
67.10861	0.8
68.99801	2.7
69.03436	7.7
69.15250	8.8
70.06595	7.5
71.04978	0.8
72.08162	2.3
73.02871	0.9
78.08043	0.8
79.05489	1.0
81.03419	3.0
82.06584	1.4
84.08151	78.5
85.02907	11.6
86.09687	1.3
87.04479	1.3
91.05550	0.8
95.04985	4.0
97.02905	5.2
103.05493	1.3
105.07026	1.0
105.31849	0.8
107.04931	1.6
109.02889	2.0
111.04429	1.9
119.04974	1.6
121.02879	37.8
121.06514	1.8
123.04459	2.1
124.07613	1.8
127.03976	1.4
127.82278	0.9
131.04921	1.1
135.04463	1.2
135.07982	0.8
136.07489	0.9
137.06003	4.2
145.04967	0.9
145.06500	2.0
147.04436	4.0
147.08022	2.0
151.07535	1.4
152.07123	1.7
157.06551	2.6
159.08112	0.8
161.06030	2.1
163.03912	9.7
163.07585	2.3
165.05472	1.0
173.06053	2.9
175.03873	1.1
175.07553	5.1
176.81276	0.8
177.05539	3.4
178.08670	1.8
179.07106	1.7
185.06049	3.2
189.05528	1.9
189.09119	1.2
191.03581	1.2
191.05612	0.8
191.07069	4.7
193.04973	1.4
199.07558	1.1
201.05481	5.6
202.08739	1.2
203.03433	1.9
203.07025	6.7
205.05048	2.8
214.08675	3.4
215.03500	1.0
215.07059	1.7
216.10309	1.7
217.05093	6.0
217.07115	1.4
217.08842	1.0
218.08191	2.3
219.06538	2.9
221.04483	1.3
221.07999	4.3
222.11273	2.1
227.07126	2.4
228.06581	1.4
228.10219	1.9
229.05029	4.4
229.08641	1.1
230.08063	2.0
231.06595	1.9
232.09824	1.3
233.87230	0.9
234.11298	6.8
235.06079	2.4
236.09114	4.2
240.10216	1.2
241.05045	1.0
241.08496	1.0
242.08110	4.7
243.06445	4.1
244.09848	1.1
245.04509	5.3
245.08192	2.8
247.06039	17.5
248.09126	8.7
252.12355	15.3
255.06635	1.7
256.09613	1.4
259.05997	1.1
260.09253	8.9
267.06845	1.4
269.08173	1.3
270.11285	1.1
271.06064	4.5
271.09598	1.4
274.10794	1.2
276.09518	0.8
276.12289	4.4
278.10263	43.4
283.06094	3.2
284.09412	1.7
287.09180	1.3
288.12439	2.2
293.08087	1.0
295.06168	1.8
300.12494	1.6
302.10217	11.6
307.06070	1.3
307.09863	1.0
309.07535	2.2
313.07132	2.9
314.10236	7.0
316.11826	1.5
318.13437	2.4
319.09589	1.3
321.07629	2.7
331.08279	1.6
332.11420	1.6
332.25964	0.9
335.09225	2.9
336.14487	4.6
344.11203	5.7
347.09106	5.6
348.12396	1.2
354.15549	3.6
360.12344	1.4
361.10898	1.5
362.12390	15.2
365.10138	5.1
366.13510	2.8
372.14722	3.2
375.12259	0.9
378.13345	4.4
380.13391	16.4
384.14520	1.1
389.10483	2.0
393.06235	1.4
396.14471	13.6
398.14337	1.1
414.15518	30.7
420.14456	3.1
438.15463	4.5
444.14545	1.5
462.15887	1.9
480.16486	2.4
498.17575	10.2
516.18713	53.7
517.19049	1.5
525.56024	0.9
534.19891	15.9
538.49139	1.0
558.19849	1.4
560.19818	3.5
576.20715	18.8
660.22955	1.5
678.23737	9.8
696.25012	100.0
697.14832	1.3
697.25476	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	695.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.3
65.03941	3.2
67.05507	4.9
70.06606	3.1
79.05470	1.7
84.08173	1.9
85.02935	1.2
93.05855	2.9
94.06581	2.8
95.04987	2.4
106.93164	1.1
107.07358	1.6
108.04507	2.9
108.08130	69.4
120.08133	2.3
122.06053	3.1
124.07637	1.9
131.04977	1.3
134.09650	1.9
135.04401	2.5
135.85741	1.3
136.07596	100.0
137.05963	2.8
138.05528	6.2
138.09143	3.1
140.07088	7.2
146.06047	4.3
148.07622	3.1
152.07112	2.5
154.08673	1.9
162.09206	1.7
164.07080	19.7
166.08682	2.7
168.06529	2.7
174.05560	4.8
181.15646	1.4
190.08681	3.4
199.08714	2.0
204.06590	3.1
211.08743	4.9
212.09351	1.7
213.10257	5.1
215.08235	2.2
218.08119	4.9
224.10866	1.8
225.10315	6.4
227.08221	4.7
227.11818	2.1
239.08211	2.1
239.11792	9.7
240.08850	1.8
241.09746	5.6
241.13446	1.9
242.10458	1.4
249.10292	1.7
253.09778	9.5
254.10643	3.3
255.11411	4.7
256.12018	2.0
257.12839	2.9
267.07361	2.1
267.11346	16.9
269.13016	3.6
273.08792	3.9
273.12024	1.7
275.13824	1.5
280.11969	1.6
281.09332	3.5
283.10852	4.9
284.11624	1.9
285.12350	5.7
288.11127	1.7
295.10794	8.6
297.12378	14.8
299.10306	4.1
300.11026	1.5
301.11938	3.1
303.13580	1.8
311.10284	3.1
313.11850	49.8
313.15500	2.5
314.12482	3.9
315.13321	2.5
323.10147	7.6
324.11017	2.7
328.10690	3.5
329.11411	3.8
341.11365	47.8
342.12155	3.4
343.12909	2.1
344.14227	1.6
346.11780	2.3
355.12939	6.1
359.12418	4.4
360.13239	3.2
365.14557	1.6
373.13992	55.9
378.13782	1.3
380.16241	1.9
389.15591	1.6
409.13956	2.8
418.17880	1.6
434.17209	3.7
436.19046	2.9
452.18399	6.3
454.19647	2.2
462.16650	4.3
464.18430	2.3
476.18094	6.3
480.17667	14.6
481.18262	3.3
482.19278	16.0
494.19299	2.8
495.19873	4.6
501.42755	1.7
512.20081	4.7
513.21130	3.1
514.22089	8.3
524.19788	1.5
573.27118	1.6
583.25586	1.4
599.24762	3.6
601.26587	10.6
603.24286	3.2
617.16821	1.9
617.26208	24.6
618.25916	1.5
627.24579	11.8
628.22852	2.6
645.25598	51.8
654.73932	1.5
659.27002	14.6
677.28186	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
56.90623	0.8
62.65126	0.7
65.03954	0.9
67.05499	3.8
69.07064	2.1
69.22779	7.3
70.06591	3.3
79.05460	0.9
81.07062	1.1
85.58256	0.9
86.09726	0.9
91.05497	1.5
93.05794	3.2
93.07031	1.3
94.06567	2.7
95.04984	0.9
100.11277	0.9
108.04496	2.0
108.08131	64.4
112.07652	1.1
117.05724	0.8
120.08102	1.8
122.06042	2.2
124.07590	2.3
134.09651	1.4
135.04431	2.5
136.07594	100.0
138.05522	4.8
138.09158	3.0
140.07089	5.5
146.05994	4.5
148.07590	2.2
149.67250	0.8
152.07053	2.4
154.08626	2.5
160.04019	1.2
162.09090	1.0
164.07071	14.7
166.08672	1.7
168.06578	2.7
174.05531	3.5
174.08987	0.9
174.53926	0.9
176.07057	1.5
190.08627	3.5
198.07817	0.8
199.08667	3.0
204.06551	2.8
206.08081	2.4
211.08623	5.3
212.09309	1.4
213.06602	1.5
213.10243	3.0
215.08223	1.7
215.11690	0.8
218.08092	3.0
223.08607	1.3
224.10858	1.8
225.10220	6.4
226.10919	1.0
227.08064	5.1
227.11752	1.9
228.09064	1.6
229.09676	0.9
239.08076	1.8
239.11824	8.0
240.08904	1.6
240.12543	1.2
241.09740	5.4
241.13475	1.7
242.10530	0.9
243.11313	1.1
251.08192	1.4
251.11919	2.0
252.09055	1.6
253.09773	9.8
254.10515	3.3
255.07622	1.5
255.11333	5.3
257.12851	2.3
265.09760	1.2
267.08069	1.8
267.11331	14.6
268.08612	1.0
268.12076	1.8
269.09232	1.6
269.12878	3.0
271.10886	0.9
273.08707	1.6
273.12326	1.1
275.13892	2.6
279.11270	1.0
279.23792	0.8
280.08295	1.0
281.09183	3.7
283.10742	4.7
284.11533	1.5
285.08585	1.1
285.12280	5.2
286.09467	1.0
287.10367	1.6
293.09027	1.2
295.10779	9.1
297.12378	13.0
299.10269	5.9
299.13361	1.0
300.11087	2.7
301.11731	1.5
303.13406	1.4
311.10202	3.5
313.11853	51.6
314.12607	1.2
315.13452	1.7
320.14508	1.0
323.10321	5.7
324.10889	1.5
328.10529	5.2
329.11200	2.0
334.11902	1.4
341.11362	48.1
342.11880	3.1
343.13071	2.0
346.11569	1.1
346.15512	1.0
350.15207	1.2
355.12933	4.1
356.13803	1.7
359.12323	2.2
360.13196	3.1
361.14328	1.1
364.12820	1.7
371.11221	1.2
373.13995	56.8
378.14447	1.1
380.15955	1.1
381.14481	1.0
406.17987	1.3
409.13776	1.9
434.17197	3.0
436.18741	1.5
437.19357	2.3
438.20081	1.2
439.16785	1.3
442.19669	1.6
444.16177	1.0
448.18542	1.0
450.16412	1.0
452.18158	5.6
462.16516	2.9
463.17139	1.3
464.18051	2.2
476.18179	3.6
480.17706	14.6
481.18539	5.2
482.19305	18.3
494.19064	1.0
495.19821	3.6
496.20187	1.1
512.20306	3.8
513.20813	2.2
514.21875	8.9
573.27191	1.1
583.24841	2.3
599.25006	4.9
601.26581	13.0
603.24640	4.7
617.26068	21.4
627.24603	11.8
628.22968	2.1
645.25616	49.6
646.25830	2.3
649.28253	1.6
654.08606	1.0
659.27246	16.0
677.28204	34.2
678.28345	1.3
695.50348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01882	1.0
55.05511	7.7
57.03449	4.2
57.07077	2.4
61.02933	22.2
63.39366	0.8
65.03942	1.3
67.05511	48.5
69.03430	4.3
69.07069	10.5
69.50505	4.5
69.50908	1.9
71.04977	1.6
73.02924	7.8
75.04482	0.8
79.05502	33.0
81.03421	1.4
81.07064	52.2
83.04974	0.9
83.08623	4.9
85.02911	27.6
85.06557	2.6
91.03411	1.7
91.03963	23.3
91.05484	14.5
93.07050	44.3
95.05008	1.0
95.08616	46.9
97.02908	15.0
97.06524	2.9
97.10174	3.0
98.21497	1.2
99.04461	1.7
99.08101	2.3
103.04001	0.9
105.04473	1.1
105.07044	10.9
107.08603	29.4
109.02894	1.0
109.10172	23.8
111.08077	1.8
115.03945	1.5
117.07034	6.7
119.08582	12.2
121.10156	28.8
123.11713	14.6
125.09628	1.8
127.03928	9.8
131.08572	13.9
133.10135	10.9
135.11702	24.2
137.13231	4.9
139.11203	1.8
144.09509	1.0
145.04973	13.9
145.10124	10.4
147.11705	10.3
149.13272	20.0
150.52513	0.7
151.11154	1.2
151.14790	1.9
153.12692	1.6
159.11714	12.1
161.13280	9.6
163.06030	22.9
163.14828	14.0
165.12772	2.0
167.14423	1.1
172.43684	0.8
173.13272	12.9
175.14897	4.1
177.16364	6.6
179.14330	2.9
187.14821	8.1
191.14354	2.0
201.16397	3.6
205.15875	2.2
215.17943	1.7
219.17465	1.8
233.22719	1.9
243.21112	33.6
260.73407	0.8
261.22156	100.0
262.22400	1.5
263.23660	1.6
279.23215	2.9
297.21011	1.0
299.07690	0.8
335.22061	1.3
335.25818	16.1
353.26898	59.7
354.27100	0.9
497.31207	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01885	3.1
55.05519	19.1
57.03452	8.1
57.07063	3.6
60.09632	1.3
65.03962	3.7
67.05512	71.8
69.03415	1.8
69.07074	24.4
69.16159	15.8
69.20844	1.4
70.06615	2.0
71.05007	10.4
75.84196	1.2
77.43349	1.5
79.05502	45.4
81.03407	1.9
81.07066	61.8
83.04989	2.6
83.08630	12.7
85.02879	1.5
85.06520	3.3
91.05492	28.0
93.07050	47.7
95.05002	3.9
95.08614	35.3
95.09101	0.7
97.06544	9.8
97.10181	8.2
105.07046	21.6
105.46006	1.4
107.04970	1.8
107.08601	27.7
109.06541	3.0
109.10168	28.7
109.10856	2.8
111.08105	5.8
115.05474	1.6
116.07090	5.5
117.07021	8.8
119.08602	16.4
121.06535	1.5
121.10153	19.2
123.08088	2.2
123.11730	3.6
125.09654	6.3
129.06984	1.7
130.08647	1.8
131.08577	10.6
133.10118	13.5
135.08057	2.9
135.11696	11.2
137.13182	2.3
143.08618	1.5
145.10150	10.5
147.11703	6.7
149.09595	3.6
149.13243	6.9
151.11230	1.8
157.10156	2.5
159.11688	10.3
161.13290	4.5
163.11221	2.9
163.14861	2.5
171.11723	2.0
173.11763	3.9
173.13290	4.9
175.14818	2.1
179.14363	1.7
183.11768	1.9
187.14848	1.6
189.11197	2.8
195.13797	1.9
213.00166	1.3
227.12791	5.9
229.14374	23.3
229.19594	1.6
243.21190	2.0
257.19040	3.2
261.22198	9.0
275.20087	15.2
289.21518	1.7
317.24573	2.4
335.25815	42.4
349.23828	6.9
426.47632	1.6
431.31049	1.8
435.21353	2.2
442.78372	1.4
489.35834	21.7
507.37482	1.8
529.38940	100.0
530.39148	2.7
609.44897	10.3
627.46185	2.3
634.34607	3.0
641.47791	7.3
694.36804	26.2
694.48138	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
51.24655	0.2
53.03941	1.8
55.01872	1.2
55.05515	10.4
57.03189	0.5
57.03445	6.1
57.07085	3.6
59.05005	0.5
61.02933	23.8
65.03950	2.3
67.05510	62.4
68.05829	0.6
69.03434	3.3
69.07074	11.7
69.67358	0.6
69.67764	1.2
70.06584	0.4
70.33969	0.3
71.01363	0.5
71.05007	2.7
71.08624	1.2
73.02923	9.4
75.04484	1.2
77.03914	0.6
79.05500	38.4
80.05831	0.3
80.06248	0.3
81.03445	2.0
81.07064	73.9
82.07397	0.6
83.04991	1.1
83.08625	7.6
85.02912	27.8
85.06547	2.5
87.04476	0.6
91.03967	21.9
91.05487	18.6
93.07050	48.5
94.07388	0.4
95.04971	1.9
95.08614	57.1
96.04516	0.3
96.08935	0.6
97.02898	13.6
97.06537	3.1
97.10173	4.0
98.21437	0.5
99.04455	1.9
99.08099	2.9
101.02390	0.4
103.03944	0.7
105.04514	0.8
105.07037	14.7
107.08602	34.2
109.02877	1.2
109.06532	1.9
109.10165	33.7
110.10573	0.5
111.08106	1.9
111.11745	1.4
113.09676	1.5
115.03938	1.6
117.07027	7.7
119.06091	0.4
119.08588	15.1
121.06498	0.3
121.10154	30.3
122.10455	0.4
123.08081	1.6
123.11716	16.9
125.09624	1.4
127.03929	9.2
127.11190	0.6
129.06999	0.7
131.08578	18.8
133.10149	12.9
135.08110	0.6
135.11705	26.5
137.09634	2.3
137.13271	6.9
139.11194	1.5
143.08585	0.3
145.04965	12.2
145.10135	14.8
147.07954	0.3
147.11697	10.9
149.09624	1.0
149.13269	19.5
151.11205	2.0
151.14821	2.0
153.12738	1.7
157.10144	0.6
157.12282	0.3
159.11703	12.9
161.13269	11.7
163.06029	20.2
163.11183	1.0
163.14836	14.7
165.12772	3.1
165.16417	0.8
167.14380	0.7
171.11676	0.7
173.13277	14.6
175.11473	0.3
175.14857	3.8
177.12749	1.9
177.16393	6.4
177.17839	0.5
179.14302	2.7
181.12141	0.3
181.54182	0.3
185.13249	0.3
187.14833	9.1
189.16415	1.1
191.14355	2.1
193.15840	0.5
195.13820	0.6
201.16438	3.4
203.18013	0.6
205.15915	2.2
209.15480	0.6
213.14908	0.3
215.17967	1.8
219.17488	1.3
223.16867	0.6
229.14323	1.0
233.19072	0.5
233.22691	3.3
237.18591	0.6
243.21100	38.2
244.21416	0.7
245.22728	0.6
261.22159	100.0
262.22519	2.0
263.23666	2.0
279.19858	0.6
279.23145	5.3
281.21155	0.4
283.19037	0.3
297.20633	0.5
317.24927	1.7
335.25818	36.4
336.26044	0.9
353.26886	64.3
354.27249	1.2
369.24164	0.6
387.25607	0.4
405.26199	0.4
419.27969	0.4
443.28110	0.4
461.29037	0.6
479.29901	0.6
487.00540	0.3
497.31110	6.5
659.36090	0.6
694.23132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.8
58.06608	44.1
63.17308	0.5
65.03954	0.8
67.05511	1.1
69.03442	0.8
70.06599	1.9
71.07292	1.2
72.08176	0.9
72.98997	0.5
83.05004	2.2
84.04548	0.5
84.08162	2.0
85.02935	0.9
86.09719	0.7
93.03426	0.6
93.07050	0.6
95.64276	0.5
103.81893	0.5
105.07056	0.7
107.04989	1.2
107.08630	0.6
109.02885	0.7
111.04452	1.0
111.82347	0.5
116.07115	1.0
123.04454	0.8
127.03920	0.5
127.71492	0.5
128.07179	0.6
131.08415	0.5
136.07594	0.7
137.02446	0.7
137.06047	0.9
145.02968	0.8
147.04445	1.1
151.03914	0.8
160.07613	0.6
161.06067	0.6
163.03934	1.5
165.09094	0.6
191.07021	1.0
191.22388	0.5
206.28662	0.5
225.11134	0.6
231.08217	0.6
242.07368	0.9
243.08305	1.0
245.06107	0.7
258.06824	0.9
259.07590	1.2
260.08368	2.6
261.09213	0.9
262.10056	0.5
274.09744	0.6
277.10349	1.0
290.05783	1.3
292.09137	0.6
293.09473	0.7
295.11276	0.8
296.10516	0.9
297.09024	0.7
298.10120	0.7
305.09784	0.8
306.13501	1.6
309.09186	1.6
311.10773	0.8
323.10663	3.3
325.08850	2.6
326.09399	2.5
327.10339	0.7
328.11975	1.2
333.07800	2.3
335.05630	0.7
337.08585	3.6
338.09381	1.3
339.10367	3.0
340.10828	0.8
341.11807	1.2
343.09641	1.1
346.13190	3.0
349.08426	0.8
351.10233	5.4
353.08246	1.9
353.12091	0.7
354.08896	11.6
354.12909	0.9
355.09686	2.5
356.10574	1.1
364.07483	0.9
365.07996	3.0
366.08978	1.9
367.09705	3.8
368.10568	5.1
369.11310	8.7
370.11746	0.6
371.09064	2.8
379.09586	4.7
380.10416	0.9
381.07422	0.9
382.08353	4.4
383.09021	6.4
384.09747	2.5
393.07758	2.1
395.09015	0.9
396.10001	1.9
397.10776	24.3
398.11499	6.2
399.07901	3.9
399.12555	3.0
411.12561	1.4
413.10013	0.8
414.10989	16.7
415.11731	2.8
425.10278	7.0
429.13400	47.0
430.14044	1.6
431.15002	0.9
442.10617	2.0
443.11411	2.4
457.12521	2.7
460.11517	2.6
475.14136	2.3
502.18610	6.9
520.19733	1.5
631.18054	1.3
648.24506	2.0
649.19238	8.6
676.24182	5.3
694.25000	100.0
695.25330	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.8
58.06608	44.1
63.17308	0.5
65.03954	0.8
67.05511	1.1
69.03442	0.8
70.06599	1.9
71.07292	1.2
72.08176	0.9
72.98997	0.5
83.05004	2.2
84.04548	0.5
84.08162	2.0
85.02935	0.9
86.09719	0.7
93.03426	0.6
93.07050	0.6
95.64276	0.5
103.81893	0.5
105.07056	0.7
107.04989	1.2
107.08630	0.6
109.02885	0.7
111.04452	1.0
111.82347	0.5
116.07115	1.0
123.04454	0.8
127.03920	0.5
127.71492	0.5
128.07179	0.6
131.08415	0.5
136.07594	0.7
137.02446	0.7
137.06047	0.9
145.02968	0.8
147.04445	1.1
151.03914	0.8
160.07613	0.6
161.06067	0.6
163.03934	1.5
165.09094	0.6
191.07021	1.0
191.22388	0.5
206.28662	0.5
225.11134	0.6
231.08217	0.6
242.07368	0.9
243.08305	1.0
245.06107	0.7
258.06824	0.9
259.07590	1.2
260.08368	2.6
261.09213	0.9
262.10056	0.5
274.09744	0.6
277.10349	1.0
290.05783	1.3
292.09137	0.6
293.09473	0.7
295.11276	0.8
296.10516	0.9
297.09024	0.7
298.10120	0.7
305.09784	0.8
306.13501	1.6
309.09186	1.6
311.10773	0.8
323.10663	3.3
325.08850	2.6
326.09399	2.5
327.10339	0.7
328.11975	1.2
333.07800	2.3
335.05630	0.7
337.08585	3.6
338.09381	1.3
339.10367	3.0
340.10828	0.8
341.11807	1.2
343.09641	1.1
346.13190	3.0
349.08426	0.8
351.10233	5.4
353.08246	1.9
353.12091	0.7
354.08896	11.6
354.12909	0.9
355.09686	2.5
356.10574	1.1
364.07483	0.9
365.07996	3.0
366.08978	1.9
367.09705	3.8
368.10568	5.1
369.11310	8.7
370.11746	0.6
371.09064	2.8
379.09586	4.7
380.10416	0.9
381.07422	0.9
382.08353	4.4
383.09021	6.4
384.09747	2.5
393.07758	2.1
395.09015	0.9
396.10001	1.9
397.10776	24.3
398.11499	6.2
399.07901	3.9
399.12555	3.0
411.12561	1.4
413.10013	0.8
414.10989	16.7
415.11731	2.8
425.10278	7.0
429.13400	47.0
430.14044	1.6
431.15002	0.9
442.10617	2.0
443.11411	2.4
457.12521	2.7
460.11517	2.6
475.14136	2.3
502.18610	6.9
520.19733	1.5
631.18054	1.3
648.24506	2.0
649.19238	8.6
676.24182	5.3
694.25000	100.0
695.25330	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	693.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.1
66.92674	0.1
67.01859	0.4
67.05495	0.3
68.99825	0.3
69.03435	0.1
69.07078	0.2
69.31160	0.2
69.31567	0.5
79.05495	0.2
81.03439	0.2
81.07051	0.3
91.05508	0.6
93.07047	0.2
95.04975	0.1
95.08601	0.3
97.02893	0.1
105.07023	0.2
107.04961	0.1
109.10204	0.1
117.06980	0.1
119.04950	1.3
121.02892	0.5
121.03603	0.1
121.10154	0.2
129.01857	0.1
131.08609	0.1
133.10124	0.1
135.11728	0.1
141.66330	0.1
145.02858	0.6
145.10168	0.1
151.07552	0.1
153.01842	3.8
163.03911	0.3
171.02911	0.6
187.03926	0.1
196.22426	0.1
197.69000	0.1
203.07054	0.2
208.12299	0.1
225.05437	0.3
229.04936	0.2
243.06541	0.3
247.06169	0.1
271.06027	100.0
272.06357	1.3
313.07098	0.3
316.02496	0.1
326.18747	0.1
401.43057	0.1
693.23340	0.1
693.33197	0.9
693.43750	0.2
718.32373	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	693.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.4
55.01860	2.2
57.03417	1.0
61.02937	1.4
65.03936	1.4
67.05497	1.7
68.99775	1.2
69.03432	7.1
71.03978	0.8
71.04288	1.1
71.04987	2.5
73.02898	2.2
79.05484	0.9
81.03419	16.6
82.18697	0.7
83.04967	1.2
85.02908	30.3
87.04475	0.7
88.90829	0.6
91.05474	2.0
93.03410	1.3
94.47539	0.7
95.04985	1.3
97.02899	18.6
99.04458	21.3
103.03947	35.0
105.06996	0.8
107.04951	1.2
109.02885	10.6
109.50082	0.7
115.03944	1.9
115.05459	1.6
117.07017	1.2
119.04960	1.3
121.02909	1.7
121.06507	1.2
123.04437	1.9
127.03923	42.2
128.04167	0.9
128.06242	1.4
129.06999	1.6
130.07663	1.0
131.04913	2.3
131.08597	1.1
133.02856	2.5
133.04985	1.1
133.06493	0.9
133.45566	0.7
135.04405	2.5
136.05170	2.0
137.02339	2.0
139.03906	1.6
143.04918	0.8
143.08594	1.0
145.04964	23.9
145.06424	2.7
146.07254	1.1
147.04408	2.0
151.03912	51.0
151.07549	69.9
157.06470	7.1
158.07280	8.9
159.04405	3.7
159.08057	2.4
161.05991	4.5
163.03915	2.1
163.06017	11.5
163.09822	0.8
165.05473	2.0
167.03514	1.5
169.69948	0.7
171.08020	0.8
172.08873	4.2
173.06020	3.4
174.06769	13.8
175.03917	3.4
175.07541	2.0
177.05510	1.2
177.09113	3.1
186.06761	2.7
187.05986	2.2
187.07582	3.1
188.08313	7.0
189.05527	4.6
189.09113	52.0
191.10559	1.1
200.08380	1.0
201.05539	5.6
201.09113	100.0
202.09883	15.8
202.21056	0.8
203.05377	0.9
203.10657	13.0
205.07005	1.4
213.09111	2.1
215.10732	1.1
219.06522	2.5
219.10173	24.9
229.04912	1.0
231.08125	1.2
231.10156	18.0
232.10959	1.4
233.11853	0.8
234.06685	1.2
235.07527	2.9
238.09964	0.9
241.08690	0.8
246.14175	0.7
247.07663	2.0
248.08252	1.2
249.07611	3.4
249.09111	1.4
249.11267	14.2
251.06924	0.9
253.12308	0.7
261.09113	1.6
262.06296	0.9
262.09946	2.6
263.06979	3.2
267.30685	0.7
271.08124	1.0
275.06946	1.3
276.07697	1.2
277.08572	7.2
278.09335	3.7
279.06470	1.1
289.08856	2.7
290.09256	3.3
291.06439	1.6
292.10806	1.0
293.08508	1.2
293.11792	4.3
294.08789	1.2
298.08304	1.9
299.09076	1.4
302.03903	1.2
303.10464	0.7
305.08191	2.7
306.08789	3.2
307.09863	5.0
308.10413	3.2
309.07849	1.1
309.11188	3.1
316.05786	1.8
317.06619	3.4
319.09619	1.6
320.10486	5.4
321.07703	1.4
321.11179	9.8
324.09827	2.9
325.15445	1.1
331.08221	2.9
336.09885	2.8
339.12268	16.5
351.12274	34.6
353.13477	1.1
369.13351	51.3
370.13611	1.0
406.97089	0.8
445.14856	5.7
603.13440	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	692.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01661	0.7
55.01878	7.4
55.05517	32.7
57.03433	20.7
57.07066	2.9
59.05006	3.8
61.02932	8.6
63.30376	0.8
65.03934	3.4
67.05510	100.0
67.98180	0.8
69.03436	4.9
69.07073	19.3
69.27602	0.8
69.27908	7.1
70.96409	0.8
71.01344	1.6
71.04997	4.4
71.08640	0.9
73.02930	6.1
73.43719	0.7
79.05499	38.1
79.64767	0.8
81.03424	12.5
81.07062	67.9
82.07382	0.7
83.04986	9.8
83.08622	24.0
83.37643	0.8
85.02915	18.3
85.06543	5.0
87.04478	5.1
87.93913	0.9
91.03949	2.8
91.04906	0.9
91.05487	29.4
93.07051	41.6
95.04971	7.7
95.08613	22.2
97.02904	8.0
97.06533	9.5
97.10181	16.1
98.07350	1.0
99.04444	1.4
99.08086	2.3
101.02409	1.1
103.03930	1.7
105.07041	11.4
107.04969	5.8
107.08607	28.4
109.06510	2.6
109.10163	51.5
111.04437	2.5
111.08083	7.9
113.09655	0.8
116.04731	2.1
117.07027	7.7
119.08582	10.0
121.06505	3.6
121.10146	13.4
122.03398	0.9
123.08090	2.3
123.11703	2.9
125.09639	11.2
127.03928	1.5
127.11221	0.9
129.05463	5.8
129.07021	1.9
131.08559	8.7
133.10144	12.8
135.08044	1.8
135.11691	11.5
137.09628	2.8
143.06995	1.4
143.10735	2.6
145.10088	3.2
147.08012	1.3
147.11705	5.6
149.09558	1.3
149.13245	12.4
151.11133	1.8
153.12738	2.9
155.10663	5.2
157.10135	2.6
159.11700	8.8
163.11201	9.5
165.12775	3.4
167.14244	0.8
173.09615	1.7
173.11777	13.0
173.13208	1.6
175.11185	1.9
177.12737	3.7
181.12263	2.5
185.11757	1.4
189.11186	1.6
191.10689	2.9
193.12222	5.0
195.13817	13.8
199.13319	7.0
209.11736	9.4
211.13347	3.4
213.14888	2.0
227.12810	9.7
229.14365	50.6
239.16412	3.2
265.14365	1.1
267.15918	10.8
269.17499	58.6
270.17786	0.9
283.15448	5.7
285.16995	1.7
295.19153	1.0
301.16467	20.6
323.18573	1.9
351.25156	1.1
357.24329	1.8
387.57034	0.8
393.26410	1.6
411.27469	6.2
422.26395	1.1
423.27466	33.8
431.27823	2.6
449.29047	1.8
477.28305	3.2
477.34830	0.8
495.29581	67.4
496.30048	1.8
513.30646	28.8
514.30933	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
57.03442	1.9
59.24723	0.6
61.02938	3.6
67.05515	7.5
69.03440	2.8
69.07076	0.9
69.33022	3.5
69.33434	1.1
72.47290	0.5
73.02932	3.1
79.05493	1.7
81.03418	1.6
81.07062	3.3
84.16203	0.6
85.02914	4.7
91.03969	3.7
91.05501	1.4
93.07063	3.0
95.08614	3.1
97.02908	3.8
99.04434	0.8
101.02398	2.4
105.07018	0.9
107.08640	1.6
109.02855	0.7
109.10165	5.5
113.22787	0.5
117.07093	0.8
119.08601	1.4
121.10165	1.3
127.03934	1.4
135.11696	0.7
145.10240	0.7
152.77411	0.5
155.10692	0.6
173.11824	1.2
195.09903	0.7
212.73425	0.6
243.08420	1.5
259.17038	1.0
260.17307	0.9
305.21255	0.6
335.25922	0.9
373.73361	0.5
413.17896	5.4
500.50223	0.7
519.29303	7.4
617.29669	0.6
691.40338	100.0
692.40979	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	691.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25374	0.8
55.01881	1.0
55.40811	0.9
57.03444	1.4
61.02934	4.6
64.68876	0.8
67.05513	8.8
69.03446	2.7
69.07087	1.4
70.04581	0.8
71.52719	1.1
73.02920	3.5
79.05502	2.4
81.03424	1.3
81.07063	3.7
83.04997	1.1
85.02908	5.0
91.03979	2.6
91.05502	2.0
93.07067	3.2
95.08635	2.6
97.02908	3.6
99.04472	1.1
101.02393	1.4
105.07033	1.4
107.08627	1.9
109.10172	6.1
119.08608	1.5
121.10189	1.4
127.03941	1.3
135.11766	1.3
155.10730	1.1
173.11798	1.7
202.02199	0.9
229.14285	1.2
243.08476	2.0
265.81784	0.9
340.56296	0.9
358.33716	0.8
413.17883	8.7
519.29517	3.7
544.30133	1.1
573.00134	0.9
600.35590	1.0
691.40326	100.0
692.40771	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	690.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87980	0.7
53.03959	1.1
55.01868	2.2
55.05512	7.6
56.53030	0.7
57.03439	4.1
57.07076	0.9
61.02940	1.0
62.57549	0.7
65.03957	1.4
67.05180	1.2
67.05509	15.2
69.03424	2.4
69.07076	4.9
69.90061	1.9
69.90460	2.6
70.06583	0.7
71.04980	2.7
73.02911	1.2
73.15305	0.8
79.05070	1.4
79.05498	16.3
80.21717	0.8
81.03427	11.0
81.07060	17.3
83.04981	5.2
83.08624	9.2
85.02919	5.0
85.06550	1.3
91.05488	13.1
93.06483	1.4
93.07053	21.6
95.04980	16.3
95.08612	19.4
97.02900	3.6
97.06541	3.1
97.10169	1.0
99.04454	2.8
105.07043	10.3
106.92642	0.8
107.04968	6.6
107.08605	15.6
109.06521	4.7
109.10168	2.4
109.35209	0.8
111.04444	3.0
111.08076	2.2
115.05392	0.7
117.07043	4.9
118.39282	0.8
119.08598	10.8
121.06510	3.4
121.10152	9.9
123.08086	1.2
125.05977	1.9
127.03976	1.0
129.07040	4.4
130.08659	0.9
131.08569	3.9
133.06500	1.5
133.10143	7.4
135.08061	3.5
135.11700	28.8
137.06061	1.1
139.07625	0.8
145.10143	16.0
147.11699	6.3
149.09622	2.3
151.07561	1.3
151.11195	2.7
152.79959	0.9
157.10123	4.0
163.11189	35.4
163.12563	1.8
165.09114	1.3
165.12827	2.1
173.09666	1.2
175.11217	4.6
181.12245	5.9
189.09079	1.7
191.10600	1.1
193.12253	12.5
206.91800	0.7
209.11847	1.2
211.13315	8.1
227.12798	40.8
238.08371	0.9
267.15958	12.9
283.15414	40.0
285.16953	32.8
310.87695	0.8
386.86203	0.9
475.26968	14.7
493.28006	100.0
494.28278	2.9
586.29083	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	690.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	0.2
51.02379	0.4
53.03954	1.7
53.30882	0.2
55.01876	0.9
55.05510	0.5
57.03436	0.2
57.07073	0.2
60.88381	0.2
65.03959	0.3
67.05508	1.8
68.99799	0.4
69.07072	1.9
69.46097	1.4
71.08624	0.2
75.92912	0.2
77.03931	0.4
79.05498	3.4
81.03427	2.1
81.07063	15.6
83.04997	0.5
89.06036	0.5
91.05495	0.8
93.07053	0.9
95.04984	2.0
95.08611	4.3
97.02893	0.5
98.20756	0.3
105.03407	0.2
105.04530	0.8
105.07037	0.7
107.04962	100.0
108.05301	0.8
109.02879	0.5
109.10154	0.5
111.04456	0.3
115.05457	0.4
117.07052	0.4
119.08599	0.4
121.06522	1.0
121.10137	0.3
123.04443	0.3
123.11714	0.6
125.02357	1.0
128.06219	0.4
129.07043	0.6
131.04942	0.5
131.08574	0.6
133.02943	0.2
133.06522	0.9
133.10168	0.2
135.04442	0.6
135.06813	0.6
135.11769	0.3
136.05206	0.6
136.07486	0.2
137.13261	2.4
138.06789	0.3
139.03958	0.2
141.06990	0.2
143.08557	0.2
144.05714	0.3
145.06470	2.0
146.06102	0.2
146.07317	0.5
147.08134	0.5
149.02351	0.5
151.03903	0.6
151.07556	11.8
152.07051	1.1
153.01862	0.5
155.03421	1.2
157.06589	0.8
158.07318	0.8
159.04449	0.2
159.08066	1.9
160.05275	0.2
160.08873	0.5
161.06010	0.6
161.09647	0.4
163.03999	0.3
165.01895	0.5
165.05540	0.6
167.03429	2.3
171.08072	0.6
172.08835	2.2
173.05995	1.1
173.09634	0.5
174.06738	1.1
175.07564	1.3
175.11238	0.4
176.08301	1.7
177.09123	1.4
179.03421	1.4
179.07104	0.2
179.08586	0.2
181.06433	0.3
182.07295	0.3
183.02956	0.2
183.08028	0.3
187.07576	1.1
187.11214	0.6
188.08327	3.0
189.09119	12.9
190.07970	0.2
190.09904	0.5
191.03456	0.4
191.07079	0.3
191.10631	1.1
193.12335	0.2
195.08105	0.3
196.08861	0.8
199.07454	0.2
200.08406	0.6
201.05487	0.2
201.09100	2.6
202.09900	2.2
203.07050	0.2
203.10675	5.7
205.08655	0.2
205.12305	0.2
208.08936	0.2
209.04401	1.8
211.07579	0.3
212.08234	0.4
213.09152	1.3
215.10802	0.3
216.07941	0.4
217.08707	0.3
219.08115	0.4
219.10147	2.5
222.10483	0.2
224.08249	0.3
225.09235	0.2
226.09955	0.5
227.08804	0.2
227.10635	1.0
230.09444	0.3
231.10178	7.2
238.09921	0.3
239.10791	0.6
241.12285	0.3
243.10272	0.2
243.17505	0.7
248.08395	0.2
249.11250	8.9
250.09872	0.2
253.08748	0.3
253.12244	0.2
255.10085	0.4
263.07150	0.3
265.07162	0.2
267.10266	0.6
269.11533	0.2
270.12769	0.2
277.08771	0.2
278.09433	0.4
279.10309	0.7
281.11893	0.6
283.09476	0.2
291.10150	0.5
293.08163	0.2
295.09622	0.2
305.08240	0.2
306.08917	0.3
307.09760	0.6
309.11261	1.2
311.12967	0.2
314.61990	0.2
325.10779	1.4
327.12381	0.7
337.10803	2.6
339.12344	1.5
349.10886	0.4
350.11505	0.3
355.11768	4.5
357.13364	1.2
367.11856	2.2
368.12613	0.4
373.12961	0.7
385.12839	2.5
403.14145	0.2
494.17737	0.2
500.00208	0.2
690.42566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.2
52.09886	1.8
53.03949	3.8
55.01865	4.3
55.05503	3.4
57.03388	1.8
65.03947	1.9
67.05494	7.4
68.99781	3.0
69.03394	2.1
69.07068	5.5
79.05506	11.9
81.03400	7.5
81.07063	39.3
83.08652	2.2
84.92415	1.9
85.02866	1.8
89.40800	1.8
91.05495	4.3
93.07053	7.6
95.04964	5.3
95.08610	13.9
97.02901	2.3
101.46737	1.8
105.07018	7.2
107.04963	100.0
107.08627	2.4
109.10126	2.7
115.05414	2.0
117.07005	3.1
119.08572	2.5
121.02827	2.0
121.06479	2.9
121.10116	2.3
123.49673	1.9
125.02357	4.5
131.04875	4.6
131.08542	2.7
133.06488	3.1
133.08597	2.6
135.04453	3.9
135.06790	3.1
136.05243	2.4
137.13258	4.1
139.03963	2.0
144.05678	2.4
145.06496	10.6
145.10219	2.1
146.06079	2.9
146.07262	4.0
147.08090	2.9
149.02353	4.5
151.03844	3.4
151.07549	53.7
152.07147	2.9
155.03398	6.6
157.06552	2.8
158.07272	4.9
159.08078	10.9
160.08847	3.3
161.06010	6.9
161.09576	1.8
162.06714	2.3
165.05574	2.4
167.03430	12.8
171.08067	5.1
172.08893	12.0
173.05992	6.1
173.09659	2.5
174.06790	3.3
175.07562	7.9
176.08340	7.7
177.09102	8.7
179.03398	8.2
179.06981	2.6
187.07600	5.9
187.11159	2.8
188.08325	14.7
189.09125	71.1
190.09862	3.1
191.10715	4.8
195.08131	2.1
196.08850	5.2
201.09123	17.4
202.09949	11.1
203.10689	29.9
209.04446	7.3
213.09134	6.5
215.10667	5.4
216.07784	2.9
219.08299	2.2
219.10135	9.0
224.08337	3.2
226.09798	3.1
227.10635	7.0
229.08536	2.1
231.10176	29.4
235.05833	2.1
239.10620	4.4
241.12282	2.1
243.17346	2.4
249.11259	31.0
251.10492	1.9
255.10236	4.9
278.09451	2.8
279.10172	3.5
293.08081	2.2
294.08865	3.0
307.09708	4.4
309.11282	5.8
323.09451	2.5
325.10855	4.9
327.12100	2.2
337.10739	14.5
339.12274	6.5
355.11743	34.0
357.13361	5.0
367.11786	14.8
368.12427	3.3
373.12823	9.7
385.12836	15.2
470.91031	2.3
640.35474	2.3
690.42963	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	689.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02926	1.0
55.05520	1.2
57.07063	1.3
67.05494	2.8
69.03452	1.2
69.07062	1.3
69.80856	3.2
69.81271	2.5
74.96328	1.0
79.05488	3.0
81.03428	3.3
81.07055	3.7
85.10229	1.1
86.09677	1.2
89.06042	2.0
91.05489	2.3
92.46253	1.0
93.07045	3.9
95.08595	1.9
97.10239	1.0
105.07031	3.0
107.08588	1.4
109.10177	1.6
119.08588	1.7
127.03914	1.0
129.06990	1.0
131.08575	1.5
133.08640	2.2
135.11687	2.0
145.10095	1.5
147.11726	1.8
151.07584	3.1
152.07883	1.4
384.12433	1.6
385.13153	3.4
397.13309	1.5
398.14099	5.5
399.14529	10.1
400.15442	17.8
411.14514	1.9
412.15302	7.0
413.16232	13.0
414.17044	10.7
418.17447	1.5
426.17117	2.5
427.18295	13.8
428.18591	14.6
429.19461	11.4
439.13977	1.1
440.14423	1.2
441.14801	5.6
442.16479	13.0
444.14053	1.4
446.17456	1.3
453.15891	1.1
455.17157	27.2
456.17880	14.1
458.15707	2.6
459.16507	4.8
469.14725	1.9
471.16873	1.5
481.15149	2.4
482.15378	1.5
483.16757	26.9
484.16690	5.6
486.18417	1.6
487.15247	2.0
487.20300	1.3
488.16534	2.0
495.16785	1.4
499.16214	6.4
511.19186	3.6
515.19305	2.0
516.20386	1.7
523.16199	2.1
527.15692	24.6
528.15826	10.9
538.18756	1.7
539.19318	14.5
540.19543	1.4
543.22583	14.7
555.19220	1.3
571.21954	100.0
572.21887	4.4
574.24200	7.2
586.20050	1.9
587.21222	2.1
601.23309	6.3
602.23828	27.6
615.20795	3.0
617.25775	1.9
629.22455	29.2
630.22845	42.4
633.25037	1.5
643.23938	2.3
657.21973	61.5
658.21960	2.2
661.24878	5.4
689.24768	22.9
689.41461	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01866	0.8
63.02356	0.3
65.03939	2.0
67.05509	0.9
69.03419	1.5
69.07094	0.3
70.06585	1.0
71.04998	0.6
71.52251	0.3
72.21391	0.3
79.05502	1.4
81.03423	4.7
81.07067	0.7
82.06592	0.4
84.08157	0.7
85.02904	2.0
86.09726	0.8
91.05483	1.3
93.03421	1.7
93.07073	0.9
94.04198	0.7
95.04982	0.9
97.02900	2.1
97.06550	0.7
99.04455	0.5
103.05497	1.5
105.07043	1.8
107.08579	0.6
108.02129	1.0
108.42740	0.3
109.02906	2.3
109.06560	0.6
110.03677	0.4
111.04459	1.9
114.05545	0.9
115.05466	0.6
116.07080	0.6
117.07056	0.5
119.08585	0.7
121.06508	0.6
121.10193	0.6
122.03625	1.7
123.04430	0.6
125.06016	3.2
127.03932	1.3
128.07098	2.8
129.07053	0.4
131.04924	2.9
131.08583	0.6
132.05721	0.3
133.06494	1.2
133.09981	0.3
136.01630	0.3
137.05997	26.9
138.06326	0.6
141.05495	0.9
143.06067	0.4
145.06538	0.8
146.03644	0.3
147.04430	0.6
147.08044	0.6
148.05194	0.4
149.05977	1.2
151.03926	100.0
151.04984	5.1
152.04317	0.4
153.01814	0.3
153.05493	0.4
157.06548	0.4
160.05231	0.4
161.06004	4.6
162.06747	0.4
163.07538	1.7
167.07104	0.5
169.04988	11.9
175.07573	8.0
177.05522	0.9
179.07083	0.5
181.05020	0.5
187.07623	2.0
190.07759	0.6
191.07065	4.0
191.08617	1.5
193.08670	1.3
199.07581	1.4
203.07004	0.4
203.08676	0.6
205.08644	0.3
212.72673	0.3
217.08543	0.4
218.07304	0.3
219.08154	2.1
231.08072	0.7
236.08411	0.8
247.07611	0.9
248.08347	0.7
251.10651	4.2
259.07547	0.4
260.08450	0.5
263.09106	0.5
270.08398	0.3
277.08542	0.5
279.10306	3.2
280.10855	0.4
291.10214	1.7
295.08167	7.5
296.10394	0.3
309.11099	0.4
311.12772	9.2
311.16223	0.6
313.09238	7.6
323.12796	4.1
325.14645	0.4
341.13803	1.6
355.11972	0.3
387.14542	1.5
429.72449	0.4
688.26141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.7
55.01885	1.0
55.05517	12.1
57.03448	10.9
57.07084	1.9
59.05007	3.1
61.02935	4.4
65.03957	1.6
67.05512	100.0
69.03445	2.5
69.07076	10.9
69.74525	3.4
71.04988	3.7
73.02911	0.7
79.05505	22.2
81.07069	40.1
83.04991	1.1
83.08625	7.8
85.02915	4.5
85.06564	2.7
91.03980	1.8
91.05493	15.4
91.06022	1.2
93.07058	28.0
95.04977	1.5
95.08617	27.0
97.02934	2.3
97.06552	1.4
97.10193	2.0
99.08073	0.7
105.04550	0.7
105.07040	7.0
107.08607	15.6
107.49485	0.6
109.06524	1.0
109.10172	79.2
111.08071	3.4
113.15014	0.7
117.07054	2.7
119.08607	11.3
121.10156	13.3
123.08089	1.1
123.11730	3.1
125.09647	1.3
127.03927	0.7
131.08600	5.8
131.54933	0.6
133.10164	5.2
135.11708	9.1
137.09627	3.2
137.13304	1.2
145.10133	3.7
147.11687	3.4
149.13283	4.2
155.10683	10.3
159.11685	2.8
161.13293	2.9
163.14864	2.8
165.12772	0.8
173.11780	16.7
173.13275	2.7
175.14998	0.8
187.14853	2.4
194.07721	0.7
227.12735	3.6
229.14381	90.9
230.14804	1.5
239.62286	0.6
243.21118	5.5
245.22501	0.6
261.22177	18.2
268.39728	0.7
317.24738	3.6
332.00082	0.6
335.25842	74.4
336.25983	1.8
397.30923	0.9
415.31873	1.0
456.81451	0.9
471.34692	1.4
489.35809	62.3
490.36087	2.0
507.37073	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	686.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15913	0.4
53.03955	0.8
55.01868	1.0
55.05267	0.8
55.05516	10.3
57.03443	10.5
57.07098	2.1
59.05004	3.2
61.02932	3.3
65.03947	2.4
67.05509	85.8
69.03439	1.3
69.07070	4.9
69.40184	3.2
71.04997	2.9
71.08612	0.5
73.02930	0.8
79.05499	16.4
81.03409	0.4
81.07062	32.7
83.04997	1.1
83.08625	6.3
85.02911	3.5
85.06548	2.7
87.04501	0.5
91.03965	2.0
91.04921	0.6
91.05486	10.7
93.07050	22.6
95.04983	1.2
95.08614	22.1
97.02908	2.1
97.03609	0.6
97.06539	1.3
97.10188	1.6
99.08080	0.6
105.07030	5.7
107.07887	0.6
107.08603	10.6
109.06535	0.6
109.10163	68.3
110.10459	0.5
111.08086	2.8
117.07037	2.8
119.08598	8.6
121.10159	9.0
123.08109	0.9
123.11723	3.9
125.09612	1.1
126.52950	0.5
131.08572	4.8
133.10144	4.4
135.11697	6.4
137.09613	3.2
137.13243	0.9
145.04964	0.6
145.10136	3.4
147.11716	3.9
149.13235	3.5
155.10686	8.4
159.10541	0.6
159.11716	2.3
161.13266	2.0
163.14848	2.7
167.59129	0.4
173.11778	16.0
173.13287	2.6
175.14813	0.7
177.16397	0.7
187.14833	1.6
189.11192	0.9
201.16359	0.7
227.12787	5.4
229.14365	100.0
230.14632	0.9
243.21124	5.4
261.22162	16.6
263.23856	0.4
317.24744	3.0
335.25821	68.1
336.26071	0.8
379.29803	0.6
397.31036	1.9
415.31918	1.0
471.34488	1.5
489.35791	42.0
490.36154	0.6
507.36838	4.2
686.38684	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.0
57.07088	1.3
67.05517	4.8
68.19654	0.7
69.07074	1.5
71.08627	1.5
79.05492	2.0
81.07068	3.1
83.08646	0.9
91.05481	2.1
93.07059	2.9
95.08599	2.8
99.08096	0.9
105.07060	1.5
107.08596	1.5
109.10161	1.6
119.08617	1.7
123.08116	0.9
133.10129	1.2
135.11728	0.9
145.10164	0.8
179.14362	1.2
225.67349	0.7
317.21011	6.0
331.26315	1.7
335.22015	3.2
373.23553	2.9
391.24515	3.9
445.62012	0.8
554.47156	0.8
573.49023	2.6
685.46509	100.0
686.46820	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	686.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.0
57.07089	4.8
58.06604	2.1
65.03944	0.9
67.05515	1.5
69.07084	1.4
70.06605	15.8
71.08636	2.3
71.51934	1.3
72.08173	1.7
79.05514	1.1
81.07056	0.8
83.76334	0.8
85.10197	0.8
86.09723	1.6
88.07645	17.9
91.05468	0.8
101.55635	0.7
102.09194	14.1
121.10181	0.7
129.95033	0.7
131.34833	0.8
136.04782	0.8
136.31239	0.8
140.52383	0.7
149.02361	27.6
159.09308	0.8
177.05495	1.1
178.64162	0.8
193.04994	43.5
224.53070	0.7
237.07610	10.0
269.04477	1.0
278.71420	0.9
284.29514	40.4
289.97937	1.0
297.04147	3.0
313.06958	1.4
341.06622	9.8
359.07657	7.2
385.09229	18.1
429.11871	22.9
686.39075	100.0
687.39154	3.8
700.25134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.4
55.05502	6.0
57.03421	3.0
57.07077	3.5
59.41698	1.5
66.04125	1.1
67.05518	12.5
69.03418	5.7
69.07054	5.2
71.04980	5.2
71.05367	1.2
71.52728	2.1
73.23590	1.2
79.05501	9.0
79.30640	1.2
81.03443	6.2
81.07059	20.9
83.05025	2.3
83.08610	3.6
85.02909	2.2
89.06850	1.2
91.05476	18.6
93.07047	20.2
95.04949	3.1
95.08616	16.4
97.02911	1.8
105.07031	24.7
107.08598	19.4
109.06527	2.6
109.10157	7.3
111.04482	2.1
111.08085	5.2
113.95822	1.2
117.07034	10.5
119.08585	18.1
121.06515	1.5
121.10170	12.4
123.11696	1.9
127.03931	2.0
129.07011	3.9
131.08583	38.3
133.10135	16.7
135.08060	2.8
135.11722	7.9
143.08545	5.5
145.10143	20.9
147.11678	6.0
149.09616	1.8
149.13225	4.8
157.10048	1.9
158.10950	11.0
159.11720	3.2
161.13295	9.2
163.14844	13.6
167.00264	1.5
171.11674	3.1
173.13280	69.4
174.13547	1.9
191.14323	100.0
209.15353	11.8
227.16411	9.6
303.23148	1.8
327.22949	1.4
351.23312	1.7
369.24161	5.0
387.25299	6.5
405.26611	9.3
423.27484	3.7
465.33636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.6
55.01874	3.3
55.05518	5.4
56.05827	1.7
56.34112	0.6
57.03411	2.4
58.22826	0.6
61.02919	1.4
65.03917	0.8
66.13698	0.7
68.33056	0.6
68.99777	1.3
69.03433	10.4
70.06563	1.2
71.04954	2.6
71.52805	0.9
73.02886	2.5
78.04689	0.7
79.05500	4.2
81.03423	21.6
81.07030	1.0
82.06580	0.8
83.04961	1.3
83.06890	0.7
83.08632	3.3
84.08111	1.1
84.08942	1.5
85.02912	29.7
87.00836	12.9
91.05451	2.8
93.07032	0.9
95.04947	1.9
97.02312	0.8
97.02900	16.0
99.04458	5.4
100.07568	1.5
100.11260	21.9
101.10977	1.0
101.11588	10.5
102.11295	0.6
102.11906	2.2
103.05443	2.8
105.01300	0.8
105.01875	9.6
105.07010	1.5
107.04966	10.9
108.04456	1.7
109.02895	14.8
111.04443	1.8
112.04787	1.0
112.07597	1.0
113.04855	0.8
115.05439	5.4
117.01837	2.0
117.07021	12.8
119.08558	0.9
121.06403	0.9
123.04399	3.2
124.05180	1.6
125.06012	1.4
126.05462	1.6
127.03927	19.5
127.05391	1.1
128.07068	1.0
129.01840	2.1
129.06995	3.2
131.04913	1.4
131.08580	3.8
133.06415	1.0
137.05952	2.2
139.08638	0.8
140.08940	0.7
141.06993	1.4
143.04884	0.7
144.05698	2.7
145.04955	9.2
145.06468	32.7
147.02856	1.1
147.08037	1.1
151.03922	1.1
152.04631	1.0
153.05403	0.8
155.04976	0.9
155.06020	6.2
155.07040	0.8
156.05696	5.7
157.06461	2.0
159.02908	7.7
159.08051	6.1
160.05208	0.9
161.05928	2.8
163.03973	1.0
167.07056	50.9
169.07639	0.7
172.05164	0.8
173.05997	68.5
175.03889	0.9
175.07449	1.1
177.05443	1.0
179.07021	0.6
181.04942	4.5
181.08621	1.5
182.05339	0.9
182.15454	3.8
183.06543	0.9
183.15791	5.3
184.05212	2.5
184.16008	2.8
185.16229	0.9
187.07552	7.9
189.08995	0.7
190.06259	37.8
191.07048	2.5
191.08606	0.7
193.08598	1.1
195.06360	0.8
202.06270	4.1
203.07007	7.8
204.07895	0.9
205.08614	100.0
206.09122	1.4
207.06503	1.9
207.10042	1.1
208.05157	1.0
209.16519	3.5
210.14859	4.9
210.16864	5.0
210.54164	0.7
211.15225	6.0
211.17159	3.3
212.15456	3.9
212.17398	1.3
213.04041	0.9
213.15756	1.3
215.06894	0.9
217.08609	47.0
218.07251	0.6
219.08215	0.9
219.10147	5.5
220.08876	0.7
223.09622	2.1
227.19434	1.1
231.05051	3.8
231.08037	1.7
231.10150	1.0
233.09468	0.7
235.07706	1.0
235.09665	28.7
236.08366	0.8
247.07457	1.5
247.09703	9.2
248.08031	2.6
249.11401	0.9
250.06508	0.7
255.06511	0.8
261.08975	1.3
263.07202	0.7
263.10699	2.6
264.07809	1.4
265.10733	47.2
266.08850	1.1
269.08197	2.6
271.09576	3.2
275.06760	0.7
276.07730	1.5
277.08514	1.4
279.10239	1.4
281.07999	0.7
290.09393	0.9
291.10339	1.7
293.08160	1.2
299.09283	1.6
307.09659	2.2
308.10419	1.3
311.12750	0.8
315.08624	7.7
316.09326	0.7
319.09451	1.4
323.12894	2.4
325.10754	0.9
327.28500	0.8
328.28589	1.0
330.11008	13.3
331.04178	0.7
331.11819	2.3
336.09796	1.6
337.10745	1.4
339.12283	1.9
341.14008	0.8
342.23578	0.7
343.11984	1.3
351.12366	5.4
351.24457	1.4
353.10193	1.1
356.12558	1.0
368.12564	2.2
369.13416	2.7
371.15137	3.5
383.14893	16.5
385.16516	1.2
401.15997	24.8
417.15695	1.0
665.50854	5.0
683.52393	40.9
684.52899	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	683.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.2
53.03948	0.6
55.01868	0.5
57.03439	0.4
63.67742	0.2
65.03950	3.1
66.04752	0.2
67.05514	1.3
68.99797	0.2
69.03430	1.6
69.53226	0.8
70.06583	0.3
70.17879	0.1
71.01363	0.2
71.05010	0.3
72.08137	0.2
74.24812	0.2
77.03961	0.2
79.05497	0.7
81.03423	3.4
81.07069	0.4
82.00579	0.2
82.04213	1.3
85.02911	3.5
87.15402	0.2
91.05493	1.7
93.03423	0.9
94.04176	1.2
95.04984	1.4
97.02917	1.0
97.06538	1.3
99.04449	0.4
103.05463	0.8
104.06255	0.3
105.03410	0.2
105.04520	0.2
105.07040	2.4
107.04948	0.7
108.02112	0.7
109.02905	1.1
109.06519	0.8
110.03691	1.6
111.04450	0.7
115.05445	1.3
117.07035	0.5
119.04927	0.3
119.08595	0.7
121.06539	0.3
122.03651	3.0
123.00832	0.4
123.04448	0.6
125.02354	0.2
125.06020	1.0
127.00349	0.2
127.03932	0.4
128.06215	0.7
129.07014	1.1
131.04950	0.9
132.05716	1.0
133.06497	1.8
137.05991	40.1
138.03152	1.1
138.06325	0.3
139.03929	0.2
140.04692	3.9
141.01819	0.2
141.07007	0.3
142.02615	1.9
143.04939	0.4
143.06058	0.2
144.05711	0.3
145.06490	0.4
146.03600	0.4
147.04404	0.6
147.08029	1.3
149.05968	0.7
151.07541	0.3
153.05475	1.5
155.04895	0.4
155.07048	2.1
156.04149	0.2
156.05705	0.2
157.06557	0.3
159.08090	1.1
160.05185	1.0
161.05991	6.4
163.07552	1.2
167.07152	0.3
168.05739	0.3
171.06587	2.3
171.07939	0.3
172.05180	0.7
175.07564	10.8
179.07082	0.2
181.04971	100.0
182.05269	0.9
184.03629	0.2
184.05199	0.6
185.05994	0.3
187.07559	3.6
189.07135	0.3
189.09117	0.4
190.07785	1.0
191.06946	0.4
191.08586	3.3
192.09343	0.3
199.06007	3.7
199.07599	2.2
202.07808	1.4
203.08611	2.3
207.07918	0.3
208.08890	0.4
217.08644	0.5
218.07275	0.7
218.90735	0.2
219.08075	5.0
220.08731	0.9
221.05867	0.2
231.08081	3.5
232.08794	0.7
233.06206	0.2
233.09538	0.3
235.07448	0.4
235.11127	0.2
236.08339	1.0
237.08888	0.2
247.07570	2.2
248.08389	1.8
251.10695	5.9
251.13277	0.3
253.08559	0.3
259.07532	2.1
260.08279	0.8
261.09097	0.5
263.10648	1.7
264.07742	0.5
265.08591	0.5
268.67059	0.2
273.09384	0.2
275.07095	0.2
276.07794	1.1
277.08624	1.0
279.10199	4.2
280.10864	0.4
291.10184	4.8
292.11060	0.9
293.08072	0.6
295.13129	0.3
296.10419	0.5
308.10425	0.6
311.12796	12.2
323.12799	8.2
325.09216	6.5
341.13824	0.8
343.10251	2.0
419.14661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22139	0.3
62.75582	0.3
67.05469	0.3
69.94231	1.1
72.08154	0.3
72.85197	0.3
77.03918	0.5
77.25079	0.3
79.05460	0.4
81.07027	0.4
82.54688	0.3
83.09641	0.3
95.04965	0.4
105.03371	0.9
105.06953	0.4
111.04445	0.6
121.06489	0.4
121.10140	0.3
121.41199	0.3
128.78836	0.3
132.05676	0.5
133.02832	1.5
135.04402	2.6
137.05997	0.5
147.04419	0.3
150.29221	0.3
151.96584	0.3
161.05986	2.2
171.04463	0.4
174.06798	0.3
177.05434	0.3
179.92598	0.3
183.02805	0.8
187.48619	0.3
192.90514	0.3
202.06212	0.6
210.08940	0.3
230.05618	0.4
231.06589	0.3
243.02855	1.6
247.21330	0.3
252.51744	0.3
258.05270	7.5
260.80109	0.4
271.02408	5.4
273.90527	0.3
286.04730	47.5
287.05573	2.6
301.07080	100.0
302.07364	1.2
315.04993	8.7
315.08649	0.5
316.05783	2.0
329.06567	50.2
330.07230	4.0
331.08139	3.1
332.82788	0.3
406.58939	0.3
491.09778	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91883	0.1
52.84984	0.2
55.05502	0.2
67.05496	0.2
68.99809	0.1
69.29953	1.3
79.05476	0.2
83.04980	0.2
91.05464	0.2
93.07046	0.1
98.20752	0.4
105.06979	0.2
111.04428	0.2
131.04926	0.2
132.05692	0.4
134.03545	0.2
135.04405	2.8
137.05983	0.3
145.02841	0.1
146.07175	0.2
159.04478	0.2
160.05162	0.2
161.05986	2.3
163.03900	0.4
168.00531	0.5
174.06726	0.4
177.05424	0.2
181.05031	0.2
183.02885	1.3
185.05949	0.2
186.01544	0.2
187.07590	0.3
188.04611	0.5
189.05452	0.6
202.06235	0.7
212.79552	0.2
213.05493	0.2
217.04897	0.2
230.05798	0.4
231.06398	0.4
243.02902	1.4
247.35468	0.1
258.05273	8.1
259.98083	0.1
270.05280	0.2
271.02383	6.1
286.04733	53.3
287.05444	3.0
301.07074	100.0
302.07416	1.4
313.07159	0.2
315.04996	10.3
316.05710	0.6
329.06564	53.6
330.07306	6.7
331.07953	0.6
361.33603	0.2
418.31400	0.2
463.10291	0.4
464.64893	0.2
473.08881	0.2
491.09598	1.9
621.41705	0.2
667.89288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.7
55.01874	5.6
55.05517	36.6
55.82995	2.6
57.03440	13.9
57.07073	9.4
65.03931	3.3
67.05513	97.9
69.07069	34.9
71.05006	5.0
71.08636	12.0
72.59312	2.7
79.05505	69.9
81.03410	5.6
81.07065	95.3
83.04973	9.6
83.08610	21.9
85.06567	5.9
89.64074	3.3
91.05489	51.2
93.07060	82.6
93.92793	2.8
95.04980	11.1
95.08616	72.6
97.06552	8.1
97.10188	10.9
99.08116	11.5
103.05473	2.8
105.04518	3.0
105.07039	42.8
107.08609	48.5
108.71015	2.8
109.06477	3.1
109.10179	28.9
111.08100	7.0
117.07034	23.3
119.08604	28.1
121.06552	3.1
121.10146	31.4
123.08064	6.4
123.11732	10.0
125.09669	5.2
129.07018	9.2
131.08582	34.4
133.10147	21.9
135.11702	22.1
139.11180	5.5
143.08565	13.2
145.10130	23.2
147.11732	17.4
149.09618	5.2
149.13284	16.9
151.11241	4.0
155.08527	8.1
157.10162	9.4
159.11650	13.3
161.13257	9.9
163.11247	4.5
163.14871	5.3
169.10155	6.3
171.11708	8.2
173.13266	12.1
175.14903	5.8
177.12749	3.1
177.16377	3.9
179.14354	5.0
181.10197	4.0
183.11679	8.1
185.13295	7.3
187.14905	6.6
188.43857	2.8
195.11720	4.2
195.13835	5.7
197.13272	5.1
201.16408	3.8
209.13307	3.6
211.14845	4.3
213.16394	6.0
229.14378	8.3
241.19649	4.2
243.21132	5.7
261.22134	14.9
267.15930	4.6
269.17526	19.7
277.21753	9.8
289.71481	2.8
317.24646	6.7
330.96039	2.7
333.24466	3.7
335.25864	34.2
351.25467	6.4
369.26477	3.5
437.34067	14.3
455.35220	4.7
473.36432	3.6
489.35498	7.8
491.36969	3.6
511.37888	4.2
515.37726	15.4
517.39105	8.0
523.56207	2.9
527.37421	7.6
529.38934	100.0
530.39014	3.9
537.42767	4.8
547.40192	4.8
549.20953	3.1
555.43793	6.3
611.46686	34.5
629.47888	19.7
682.43286	6.1
683.44702	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	681.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61713	0.6
55.05499	0.9
56.65343	0.8
56.96344	0.7
56.96577	10.9
57.44735	0.7
69.07091	1.2
70.34855	0.8
70.35191	2.1
71.95270	1.2
72.96063	1.2
79.05520	0.9
81.07070	1.0
91.05482	0.8
95.04986	1.4
95.08622	1.2
105.07068	1.0
107.08628	0.8
121.10155	0.8
136.06218	1.2
137.05968	1.5
151.07576	1.1
223.10135	3.2
235.09969	7.2
241.11142	36.2
253.11145	76.8
254.11490	0.9
259.12222	28.4
264.12787	3.4
271.12201	79.3
276.12750	3.1
282.13812	1.2
289.13327	1.8
294.13800	11.3
467.26886	100.0
468.27225	2.6
558.03772	0.8
661.67651	1.0
681.34070	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01860	1.1
55.05508	0.3
57.03434	0.4
58.06592	0.4
59.41011	0.2
61.02916	0.9
61.60739	0.2
65.03940	0.6
67.04244	0.8
67.05511	0.3
68.05018	0.5
69.03436	3.2
70.06597	5.1
71.04996	0.5
72.08145	0.2
75.89952	0.2
79.05498	0.6
80.06242	0.2
81.03426	4.4
82.06586	17.8
83.01310	0.2
83.04974	0.4
83.07354	0.7
84.08138	0.8
85.02912	3.6
86.09717	0.3
87.04467	0.2
88.03998	3.2
91.05487	0.7
93.03408	0.9
93.18250	0.2
94.06564	0.4
95.04984	0.7
96.08117	0.4
97.02891	1.8
99.04441	0.4
100.07619	4.7
103.05502	0.2
105.07047	0.4
107.04952	1.1
108.05735	0.4
109.02888	0.6
109.06493	0.3
111.04465	0.5
115.05458	0.3
116.06257	0.4
116.07098	6.3
119.04957	0.2
121.02888	0.6
121.06484	0.5
122.06065	0.7
122.48444	0.2
123.04433	0.3
124.07569	0.7
127.03905	0.7
128.07086	100.0
129.07101	0.4
131.04913	0.5
133.02838	0.3
133.06505	0.3
135.04395	0.4
136.05203	0.5
137.05983	0.7
140.07086	0.3
141.06923	0.3
145.06483	1.3
146.07292	0.6
147.04401	0.6
147.08051	0.5
149.05997	1.3
149.08527	0.3
150.05508	0.6
151.07552	31.5
152.07083	0.6
157.06505	0.6
158.07286	0.5
159.04408	0.7
159.08066	1.0
160.08862	1.0
161.05997	1.0
162.09148	0.6
165.05504	0.9
168.06622	0.9
171.08069	0.6
172.08850	2.5
173.05978	1.0
174.06758	0.8
175.03931	0.3
175.07556	1.4
176.08359	1.0
176.72916	0.3
177.05431	0.8
177.09119	1.8
180.10159	0.5
187.07578	0.5
188.08365	3.3
189.09116	11.6
190.08644	0.5
191.10699	2.2
192.10194	0.4
195.08066	0.3
196.06078	0.7
199.07506	0.3
200.08345	0.8
201.09134	2.7
202.09940	1.0
203.10693	5.9
204.07857	0.6
206.08121	0.6
208.09721	2.8
213.09184	0.7
214.07034	0.3
215.10696	0.6
217.08635	0.6
219.10193	3.0
225.09085	0.3
227.10538	0.5
229.12022	0.3
231.10173	5.1
236.09204	0.9
239.10527	0.5
249.11250	3.6
253.12283	0.3
254.10188	1.3
262.10791	0.9
265.12369	0.2
272.11514	0.6
300.10800	0.3
339.12228	0.3
408.17972	0.3
410.19659	0.3
420.18085	0.3
422.90021	0.3
428.20764	1.1
438.19281	1.2
456.20203	3.3
474.21548	2.1
502.20761	4.0
503.21387	0.3
520.21826	90.2
521.21808	1.8
622.09576	0.3
682.27081	15.7
683.28107	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76624	1.4
53.03945	5.4
55.01886	3.3
55.05274	1.4
55.05517	19.3
57.03432	4.1
57.07076	4.2
65.03931	2.1
67.05510	56.5
69.07074	16.4
69.88525	4.9
70.06599	1.5
70.22459	1.2
71.04997	4.3
71.08636	42.0
75.95725	1.6
79.05499	51.0
79.17424	1.4
79.64727	1.6
81.03407	4.8
81.07064	65.9
83.04991	10.0
83.08619	15.1
85.05740	1.8
85.06554	3.4
91.04916	1.7
91.05486	41.1
93.07052	67.5
95.04974	11.5
95.08612	43.3
97.06525	9.8
97.10166	4.4
99.08105	25.7
105.07027	24.0
106.68600	1.5
107.04958	8.1
107.08606	36.9
109.06526	2.9
109.10162	13.4
111.08076	4.7
113.09677	4.5
117.07053	8.3
119.08582	18.3
121.06512	3.6
121.10149	25.0
123.08103	2.5
123.11710	2.3
125.09643	4.1
129.07025	4.7
130.05171	1.5
131.08569	10.1
133.10143	16.8
135.08040	2.4
135.11694	28.6
137.09605	2.9
141.09056	2.0
143.08534	4.0
145.10109	6.9
147.11691	8.5
149.09627	3.5
149.13240	11.6
151.11217	20.3
157.10089	3.5
159.11713	6.6
161.13293	13.8
163.11269	9.2
163.14876	2.8
165.12762	1.6
167.10632	1.8
171.11713	3.5
173.13246	3.0
175.14893	2.9
177.12744	3.5
179.14331	76.9
180.97211	1.5
185.13339	2.5
187.14925	2.1
189.11195	1.7
195.13806	3.9
221.15404	3.0
227.12849	3.3
235.17010	1.5
241.19481	2.5
257.89780	1.4
259.20599	5.9
269.17578	14.6
277.21640	58.1
293.21109	12.2
295.22693	5.7
301.36624	1.6
327.68317	1.5
335.25824	6.1
335.29568	2.0
351.25314	47.0
367.24826	4.8
369.26202	2.1
389.79169	1.6
449.32547	1.5
527.37604	3.0
529.38031	1.9
545.38422	100.0
627.46155	42.8
628.46313	1.7
684.96045	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.0
54.78592	1.5
55.01866	4.8
55.05274	2.7
55.05516	34.1
57.03441	20.5
57.07071	3.9
59.04984	2.0
65.03940	4.5
67.05511	100.0
67.07816	1.4
69.03427	2.2
69.07076	42.5
70.06593	10.1
70.98533	3.5
71.04999	12.3
71.08629	3.1
79.05023	1.6
79.05497	65.8
81.03414	4.6
81.07064	81.9
83.04983	9.0
83.08620	19.2
85.06542	4.9
87.51003	1.5
89.59692	1.8
91.05486	49.4
93.07052	69.7
95.04974	9.5
95.08616	57.2
97.06538	13.2
97.10176	15.8
99.08092	4.0
105.04489	2.2
105.07041	40.6
107.04955	4.1
107.07883	2.4
107.08607	49.6
109.06519	7.0
109.10169	38.2
111.08089	6.4
113.09652	2.4
115.05461	2.3
116.07081	15.5
117.07015	14.8
119.08587	26.5
121.06513	2.6
121.10158	30.1
123.08076	3.7
123.11720	9.6
123.99465	1.5
125.09644	13.9
128.06192	1.8
129.07007	6.4
131.08582	27.2
133.10143	18.1
135.08052	6.0
135.11684	16.3
137.09639	6.0
137.13252	7.0
139.11215	9.0
143.08595	6.2
145.10120	20.1
147.11684	12.5
149.09659	8.3
149.13248	8.2
151.11253	3.4
151.14824	2.5
153.09178	1.7
153.12747	4.3
155.08568	2.8
155.10616	2.1
157.10141	5.0
159.11690	12.8
161.09685	2.7
161.13295	5.8
163.11209	5.4
163.14854	4.3
167.10706	3.7
169.10121	2.1
171.10330	2.1
171.11691	6.7
173.11775	4.7
173.13281	12.9
175.11360	2.0
175.14893	4.8
177.12790	3.3
177.16301	2.0
183.11758	4.4
185.13329	7.6
187.13307	1.6
187.14854	5.9
189.11214	8.7
189.12828	4.3
191.14342	1.7
196.10307	1.7
197.13225	1.9
201.16405	2.9
203.12770	7.6
203.14349	3.3
205.15904	4.5
207.13768	1.8
213.14880	6.4
219.17419	1.9
221.15385	3.6
223.16884	2.9
227.12865	7.0
229.14360	8.4
229.19501	2.0
239.17986	3.3
241.14320	4.3
243.21088	5.2
257.19080	12.1
261.22131	12.7
267.15952	2.1
275.20071	41.1
277.21796	2.4
279.23264	11.8
290.94730	1.6
293.21082	6.6
331.22800	1.6
335.25790	7.3
337.27240	2.2
349.23755	7.3
353.26874	26.7
367.24878	7.9
374.07224	1.9
407.10538	1.5
460.23001	1.6
507.36545	2.6
627.45490	3.0
636.28693	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	680.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	7.7
67.05502	3.4
68.50522	1.1
69.03422	3.2
70.06590	1.5
71.05003	2.1
79.05504	5.9
81.07067	3.2
83.04982	5.0
83.08627	41.7
91.05479	4.5
93.07056	4.5
95.08607	6.4
97.02894	16.5
97.06559	1.9
99.04465	3.9
99.08066	1.3
105.07032	3.5
107.08604	57.0
109.10160	3.3
116.15767	1.3
119.08595	9.2
121.10178	7.3
123.08080	3.2
125.06017	4.3
125.09642	51.7
131.08466	1.3
133.10150	1.6
135.11687	7.0
137.09636	6.5
139.07617	1.7
145.10124	4.8
147.08060	10.4
153.12694	8.1
159.11700	11.1
163.11194	13.5
165.09151	13.5
177.12759	5.6
181.12247	38.2
187.11235	2.4
195.13809	3.8
205.12254	24.6
223.13306	100.0
237.33066	1.2
294.29440	1.2
437.28760	1.4
553.62231	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.0
57.06834	3.7
57.07085	54.5
60.05632	7.3
61.09782	2.5
67.05511	15.5
69.07074	6.6
69.62594	16.6
75.77824	2.4
79.05499	8.0
81.03394	3.0
81.07063	30.1
83.08614	3.5
91.05489	8.0
93.07041	7.0
95.08604	9.7
98.21458	4.8
105.07034	4.2
107.08575	7.0
107.39774	2.2
109.06506	5.3
109.10138	7.6
111.04454	10.1
119.08585	5.2
119.92812	2.8
121.10133	6.0
123.11706	2.5
133.10161	5.0
135.11684	4.6
137.05988	63.5
147.11688	9.6
164.11052	2.5
216.87674	2.5
219.40865	3.1
231.17516	6.2
251.04706	13.6
277.18073	27.5
295.19073	3.2
301.42194	2.5
308.86597	2.5
327.07828	94.3
337.27319	16.1
340.65729	2.5
351.21625	12.8
383.14078	56.1
383.24603	3.6
384.14093	2.6
439.20377	95.9
495.26685	81.9
551.33020	40.5
607.39136	100.0
608.39679	4.3
613.44720	45.7
645.47021	8.1
663.45398	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.4
55.01871	1.0
55.05508	0.8
57.03442	2.7
57.07080	2.3
59.05004	2.9
61.02921	1.6
65.03947	1.5
67.05508	14.8
69.03435	15.5
69.07067	1.3
69.74113	1.0
69.74512	1.0
71.05000	10.9
73.02883	0.4
79.05486	3.3
81.03435	1.7
81.07066	3.7
83.04990	1.6
83.08620	0.7
84.08135	0.4
85.02912	10.9
85.06553	13.3
87.04478	2.2
91.03979	0.8
91.05485	2.8
93.07047	3.8
95.04980	27.4
95.08620	2.4
97.02894	3.6
97.06544	8.3
99.04472	1.2
100.11262	0.5
101.06049	1.0
105.07049	3.8
107.04939	0.4
107.08595	3.7
109.02903	1.8
109.06541	1.1
109.10171	1.1
111.04437	0.7
113.06017	100.0
117.07037	1.2
119.04984	0.4
119.08593	3.0
121.06519	0.7
121.10146	3.0
125.06008	5.6
127.03924	2.8
129.07030	0.7
131.08539	2.5
133.10156	2.4
135.08057	0.5
135.11702	1.2
137.06007	1.7
143.08571	1.5
145.02773	0.4
145.04990	6.4
145.08615	15.8
145.10133	2.9
147.04396	0.4
147.08043	0.5
147.11740	2.4
149.13327	0.5
151.07471	0.5
153.05493	6.7
155.07047	4.2
155.08545	1.1
157.10164	1.7
159.11716	3.6
159.84938	0.4
161.05977	0.6
161.09685	0.8
161.13255	1.8
163.06114	0.8
163.07545	0.7
167.07069	0.7
167.08521	0.6
169.10213	0.8
171.11703	1.2
173.13293	1.7
175.07567	0.5
175.14861	2.5
177.05511	1.4
177.61353	0.4
179.07118	0.5
183.11743	1.2
185.13316	2.0
187.14828	0.9
189.09265	0.4
189.16377	1.5
193.08621	0.6
195.11731	0.9
197.13333	0.9
199.11266	0.6
199.14822	1.1
201.16394	4.8
207.10078	0.5
209.13316	0.7
211.14870	0.7
213.16425	0.7
215.18048	0.6
217.12218	0.7
223.14923	0.5
225.16396	0.5
229.12096	0.5
235.14841	0.8
243.13831	0.7
251.18085	0.6
253.19510	0.5
257.10284	0.7
257.15436	0.4
267.13712	0.4
277.19504	1.4
281.15408	0.5
291.20999	1.5
295.17273	0.4
295.20743	0.4
309.22095	1.2
319.20435	1.2
337.21683	9.2
355.22708	25.1
356.23209	0.5
373.23767	49.7
374.24130	1.3
414.26385	0.9
457.39694	0.4
517.31775	4.5
531.77643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01886	0.2
55.05516	0.5
62.01554	0.2
63.02395	0.5
65.03948	0.2
66.04723	0.3
69.03434	1.1
70.06598	1.0
71.04997	0.3
71.53117	0.2
78.04720	0.5
79.05499	1.1
81.03422	3.3
81.07050	0.7
82.06574	0.4
83.08630	0.4
85.02905	1.6
86.09737	0.3
86.15403	0.2
89.03924	6.1
91.05486	1.7
93.07036	0.4
94.04197	1.6
95.05003	0.3
95.08595	0.2
97.02885	0.6
97.06561	0.3
99.04466	0.7
100.11259	2.2
103.03962	0.4
103.05480	0.8
105.03400	0.3
105.07040	3.5
106.04183	0.4
107.04956	0.8
109.02882	1.3
109.06534	0.9
111.04453	0.3
115.05476	1.8
117.03388	18.1
117.07027	0.8
119.04929	0.5
119.08576	1.0
121.06478	0.4
122.03663	2.7
123.91736	0.2
124.05205	0.2
127.03941	1.0
128.06223	0.9
128.07100	1.4
129.07037	0.8
131.04948	0.9
132.05701	1.2
133.06522	1.7
133.10132	0.3
134.03645	1.1
135.04463	1.1
137.05984	37.2
138.06334	0.4
139.08638	0.3
141.06981	0.4
144.05693	0.4
145.02856	43.9
145.06538	0.5
146.03598	0.4
147.04388	0.4
147.08022	1.3
149.05995	6.7
151.03914	0.3
151.07538	0.7
155.04904	0.5
157.06502	0.3
159.08035	0.8
160.05220	0.8
161.05988	5.6
162.03192	0.3
163.03941	0.6
163.06158	0.2
163.07561	0.7
167.07053	0.3
171.08040	0.5
172.05241	0.4
175.07562	10.3
177.05478	100.0
178.05791	0.7
179.07028	0.4
182.15457	0.9
184.05203	0.4
186.05458	1.2
186.35405	0.2
187.07547	3.4
189.07275	0.2
189.09164	0.6
190.07773	0.8
191.08557	2.9
195.06563	1.0
199.07547	3.1
202.07787	1.0
203.08586	2.7
205.06622	0.4
205.08446	0.3
207.08217	0.3
208.08795	0.3
209.16516	0.8
210.14908	0.8
217.08594	0.6
218.07253	0.9
219.08075	4.4
220.08856	1.2
231.08087	2.4
232.08879	0.5
235.07437	0.3
235.11203	0.3
236.08344	0.7
237.09065	0.3
247.07536	1.9
248.08388	1.9
249.09007	0.3
251.10704	6.0
253.08777	0.2
259.07565	1.9
260.08353	0.7
261.09091	0.4
262.09958	0.3
263.10715	1.6
264.07727	0.7
265.08725	0.4
275.10809	0.2
276.07825	1.2
277.08646	1.0
279.10260	4.1
280.10794	0.3
281.08060	0.5
291.10184	4.5
292.10876	0.8
293.08151	0.3
295.13239	0.4
296.10403	0.4
308.10440	0.5
311.12802	9.1
313.07214	0.2
321.05972	0.4
321.09674	6.4
323.12784	5.7
335.13123	0.2
337.07065	0.2
339.10818	2.8
341.13776	0.5
350.14404	0.7
453.34210	0.9
466.15765	0.2
679.51147	1.8
680.00732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01867	4.4
55.05518	3.8
57.03436	5.1
57.07077	19.7
59.59498	2.2
61.02924	2.1
62.36909	1.8
66.46215	1.7
67.05503	3.7
69.03435	19.4
69.07055	2.3
70.06594	9.2
71.04987	4.2
73.02919	2.9
79.05501	2.9
80.86869	2.0
81.03415	25.9
81.04504	1.9
81.07045	3.6
84.08187	4.6
85.02910	44.6
86.09710	6.6
87.04461	7.2
89.47124	2.0
90.18104	1.7
91.05489	6.0
93.07026	2.9
94.04192	1.9
95.04993	3.9
95.08609	2.8
97.02900	30.5
97.06561	3.6
98.20811	5.0
99.04469	25.9
100.07668	2.5
100.11215	3.9
103.03951	43.9
103.05428	3.0
104.15483	1.9
105.03378	2.7
105.07023	4.6
107.04971	4.9
107.08614	3.3
109.02887	17.4
109.06550	2.4
111.04493	2.6
115.03911	4.0
115.05474	3.7
116.07070	4.1
119.04916	3.1
119.06069	1.9
120.08088	2.5
121.02858	9.5
121.06486	2.2
122.03634	4.2
123.04430	3.2
127.03928	58.7
128.06233	3.2
129.07027	7.6
131.04941	7.0
133.04985	2.2
133.06488	2.9
133.10094	3.2
135.04428	5.1
137.02368	6.0
137.05989	88.3
141.13736	1.9
143.08546	3.4
145.04973	27.1
145.06233	3.2
147.04393	4.1
151.03915	58.0
151.07555	100.0
157.06546	7.0
158.07207	2.1
159.04420	8.5
160.05243	5.1
161.05954	8.3
161.09686	2.6
163.03966	5.6
163.06026	11.6
163.07411	4.5
165.01848	31.5
165.05492	14.6
167.07034	2.7
167.58536	2.1
171.07912	2.1
172.05191	6.1
173.06087	5.1
174.06807	3.3
175.03958	6.0
175.07541	41.1
177.05461	9.0
177.09100	2.8
182.15439	3.8
183.08044	3.0
185.06027	5.0
187.05904	5.4
187.07555	71.0
188.08286	7.1
189.05460	7.2
189.09158	12.2
191.03409	2.4
199.07532	2.5
201.05453	4.2
203.10677	3.5
205.07001	3.5
205.08621	23.1
207.08105	2.3
208.02950	2.2
210.14934	5.5
213.05321	2.5
217.04991	4.9
217.08594	17.5
218.07321	2.3
219.06473	3.7
219.08348	2.6
219.10158	4.9
235.07542	5.4
235.09679	14.9
236.08496	3.0
247.07730	3.6
249.07486	3.2
255.06525	3.9
256.07318	3.1
263.07022	4.8
264.07962	3.0
271.05759	4.2
279.10294	3.4
283.06033	55.4
284.06815	25.0
293.08035	5.1
295.06079	23.8
295.09457	5.1
297.07608	7.1
305.08160	3.6
307.06381	2.7
307.09583	10.9
308.06781	2.8
309.07635	5.2
311.05429	2.6
313.07068	95.6
322.08289	2.5
323.05801	2.6
323.09116	10.1
325.10745	13.5
337.07001	19.2
337.10748	21.5
349.07077	2.9
351.08466	2.5
355.08163	2.7
355.11877	28.7
361.07144	6.7
367.08060	11.4
367.12054	3.7
379.08069	14.1
385.12842	75.7
397.09073	13.7
415.10229	19.8
433.11420	4.5
481.14600	3.3
499.16299	14.3
517.17096	79.5
518.17175	4.1
679.21857	13.3
679.51361	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	679.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.0
52.00228	0.9
53.03941	1.6
54.78333	1.0
55.01873	2.9
55.05503	1.2
58.46990	1.0
65.03931	2.1
67.05505	2.7
71.05034	0.9
74.39729	0.9
79.05500	5.6
81.03425	2.6
81.07072	2.0
91.05475	3.1
93.07051	1.8
95.04974	3.6
95.08622	1.4
103.05484	8.3
103.23741	0.9
105.03415	2.2
105.07021	1.6
107.04956	3.1
115.05466	7.8
117.07022	4.2
119.04970	1.2
119.08588	2.1
121.02888	2.4
121.10177	1.3
122.03656	2.2
123.04462	7.7
128.06247	4.7
129.07018	9.9
131.04933	13.9
133.02855	1.5
133.06480	1.5
135.04436	100.0
135.85309	1.0
136.05217	1.5
141.07008	1.1
143.04964	6.7
143.08511	1.4
145.06512	8.1
147.04417	2.9
147.08022	1.3
148.05161	1.0
149.02348	14.8
149.06013	2.1
150.03183	1.3
150.04478	1.0
151.03966	1.8
151.07567	12.3
152.06247	1.4
157.06511	7.8
158.07248	1.5
159.04410	3.9
161.05986	11.4
165.07053	2.9
171.04489	1.4
172.05182	1.8
173.06013	16.9
174.06702	1.1
175.07574	3.0
176.08292	1.3
177.09186	1.2
179.07060	4.2
179.08461	1.9
181.06528	3.1
182.07295	1.3
183.08020	1.4
185.05980	8.0
186.06799	1.3
187.07605	7.6
188.08372	3.9
189.05522	1.3
189.07074	3.7
189.09123	13.2
190.07925	1.9
191.08591	2.8
191.10655	2.2
194.07356	1.9
195.08095	3.6
196.08844	2.0
197.05995	2.5
201.05559	1.1
201.09148	11.9
202.07741	2.6
203.07001	3.9
203.08636	3.3
203.10709	2.8
205.06554	4.7
205.08568	1.2
206.07272	2.5
207.08122	7.2
208.08891	3.6
209.06087	1.8
209.09683	2.4
211.07564	3.1
212.08318	1.5
217.06601	1.2
217.08636	2.4
218.07271	4.4
219.08116	16.4
219.10123	2.0
220.08896	5.1
221.06009	3.4
221.09648	2.9
222.06679	1.9
222.10500	1.3
223.07690	1.7
224.08293	1.8
225.05527	1.8
225.09097	1.9
226.09973	1.4
227.10692	2.3
231.08029	2.6
231.10167	1.6
232.05173	1.2
232.08922	3.8
233.06070	5.3
233.09723	2.0
234.06854	4.0
235.07556	13.9
236.08311	5.9
237.09157	4.6
238.06172	1.2
238.09946	1.3
239.10762	5.6
241.08611	3.4
246.06812	2.4
247.07562	15.1
248.08354	21.9
249.05547	4.4
249.09167	9.3
250.06252	1.5
250.09959	3.2
251.07091	4.3
251.10693	13.2
253.08585	6.7
254.05878	1.2
255.10223	2.8
259.07681	2.5
260.08401	1.7
261.05594	3.3
261.09088	3.8
262.06256	3.2
262.09888	2.2
263.07092	12.6
263.10693	18.9
264.07913	11.9
264.10934	2.1
265.08719	10.3
266.09457	3.0
267.10150	3.6
268.11011	1.4
269.08139	1.3
269.11563	1.2
274.06241	1.4
275.07080	12.0
276.07855	13.2
277.05487	2.0
277.08603	12.2
278.06277	1.5
278.09341	6.9
279.06635	4.9
279.10184	44.6
280.07556	2.0
280.10950	5.1
281.08286	1.8
281.11774	4.5
283.09625	1.7
289.08521	4.8
290.06406	1.1
290.09326	5.6
291.06577	4.1
291.10178	12.6
292.07291	8.1
292.10748	2.8
293.08112	10.6
293.11560	2.0
294.09027	2.4
295.09567	6.1
297.11310	1.8
304.07602	1.2
305.08072	9.3
306.08905	16.4
307.06223	3.0
307.09653	56.9
308.10446	10.9
309.11319	12.0
319.06140	2.0
319.09698	18.0
320.10458	8.9
321.07996	1.4
321.11267	10.7
322.08344	5.2
323.09134	6.0
324.70529	1.1
325.10797	2.7
337.10757	74.5
338.11490	8.9
339.12463	2.4
341.10416	1.5
353.10287	4.4
365.08109	2.5
379.09528	2.5
381.11353	2.3
383.13000	1.6
395.09158	1.6
396.09863	2.6
401.14124	1.5
407.12744	2.2
411.12424	2.7
429.13373	3.3
443.10995	1.7
450.14304	1.6
461.12494	2.1
461.29013	1.9
555.18176	1.2
569.15497	2.3
570.16736	1.4
571.17877	1.4
572.18292	1.6
583.17389	2.4
585.18134	1.4
589.19019	1.7
599.16919	8.6
600.18372	5.2
600.25977	1.2
601.18158	3.9
603.20221	25.6
613.18677	23.9
615.19257	1.2
619.19293	3.4
621.21179	3.2
626.78369	1.1
631.19672	53.7
632.19702	3.4
633.20837	1.6
643.19153	2.5
649.20599	13.3
651.22638	1.3
661.20520	9.1
679.21881	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	678.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.05521	12.6
57.03433	3.6
57.07070	2.6
59.91612	1.4
60.31750	1.6
67.05176	2.9
67.05506	33.7
69.03434	2.1
69.07070	14.2
70.06595	65.2
71.08640	25.2
71.53307	3.4
74.12709	1.9
77.84301	1.6
79.05498	26.9
81.03415	8.0
81.07061	39.1
83.04975	6.5
83.08629	9.4
91.05486	19.7
93.07052	34.9
95.04971	6.9
95.08616	22.5
97.06527	7.0
97.10154	5.0
99.08099	8.3
104.24243	1.7
105.07045	15.2
107.04951	6.0
107.08592	19.5
109.06521	4.8
109.10163	10.4
115.05574	1.7
115.07594	2.4
116.07103	100.0
117.06984	4.4
119.08582	7.7
121.06515	4.1
121.10166	12.5
123.08108	2.3
123.11713	3.0
125.09644	3.8
131.08566	6.8
133.10138	6.7
135.08043	2.1
135.11707	16.4
135.33476	1.7
137.09657	2.5
139.11198	2.0
143.08577	2.4
145.10135	4.7
147.11685	4.3
148.07634	2.5
149.09605	1.6
149.13243	4.1
151.11197	7.8
159.08102	2.1
159.11754	2.0
161.13252	4.8
163.11153	2.8
167.10779	2.4
173.13268	2.0
175.14751	1.9
177.12756	4.5
179.14304	37.8
221.15421	2.0
227.12778	2.1
248.18719	1.9
267.15857	5.2
275.20151	7.2
277.21637	30.9
291.19501	2.3
293.21130	56.1
313.27368	3.6
335.25821	5.4
351.25284	15.8
367.24820	25.2
369.00497	1.9
388.74249	2.2
467.06604	2.1
506.39163	2.8
521.30859	1.7
543.36823	2.3
610.20300	2.0
625.44531	3.3
635.28180	2.3
643.45691	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	678.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01865	0.6
55.05501	0.9
56.16935	0.4
57.03441	1.2
61.02931	2.9
68.42797	0.5
69.03436	7.4
69.05846	0.5
70.06611	2.6
72.08152	0.7
73.02903	1.9
81.03416	2.3
82.06564	0.7
84.08150	20.6
84.38557	0.5
85.02908	8.4
86.09685	0.5
87.04469	0.8
97.02913	3.3
102.88383	0.6
105.07063	0.9
109.02887	0.8
109.10168	1.0
116.07092	0.6
116.18433	0.5
117.07018	0.5
119.04968	0.6
121.02893	6.2
127.03931	1.7
137.05992	1.0
145.02873	1.6
146.50862	0.6
189.05516	0.9
201.05510	0.7
203.03386	0.7
217.04915	2.9
219.06648	0.8
224.51453	0.5
229.14473	1.4
235.06009	0.9
247.06181	1.3
267.06543	1.0
279.10150	0.7
283.06088	0.9
289.08627	1.0
293.08118	1.8
295.06042	5.4
297.07687	0.8
304.07388	0.7
305.08185	1.6
306.08826	1.0
307.06082	6.5
307.09677	3.0
309.07617	6.1
310.08218	0.6
313.07257	0.5
317.08200	2.1
318.08566	1.0
318.11786	0.8
319.06512	0.5
319.09769	2.6
321.07535	7.2
322.08395	3.0
323.09119	5.4
325.07138	3.7
329.08319	2.5
331.09622	1.8
335.09073	19.3
336.09595	4.1
337.07230	1.1
337.10846	1.9
339.08630	6.2
339.12369	0.7
343.09909	0.8
347.09134	12.4
347.13138	0.8
348.12436	5.9
349.07159	1.0
349.10846	4.6
351.08740	0.8
353.10153	3.5
354.13483	1.6
360.12378	5.3
361.06845	0.6
361.10803	2.0
363.08658	3.1
365.10208	38.7
366.13467	4.0
371.09341	0.8
373.10843	1.2
375.08289	0.9
375.12543	2.4
377.10287	2.5
378.13382	11.7
379.08069	0.5
385.10559	0.9
389.10208	6.8
394.13043	1.0
395.11304	1.1
396.14444	47.1
397.14697	0.8
401.10406	1.3
402.08801	0.5
402.13141	2.7
403.11618	1.6
405.09866	0.9
407.11526	0.9
408.14392	2.0
413.10306	1.2
414.13559	1.3
419.11069	2.8
420.14526	6.2
426.15732	2.5
431.11334	3.9
432.14691	1.2
434.16052	1.1
437.12457	1.0
438.15817	1.3
444.14450	2.8
449.12216	3.7
450.15598	2.9
462.15674	4.0
467.13507	1.6
480.16592	11.3
498.17627	27.5
499.18192	0.9
516.18695	17.5
558.19775	16.5
610.78809	0.6
660.22852	12.3
678.23956	100.0
679.24396	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	677.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01857	2.2
55.05514	13.3
57.03436	6.3
57.07080	4.1
61.02935	15.7
62.79732	1.5
65.03938	2.9
67.05508	70.4
69.03431	3.8
69.07069	13.9
71.05000	3.7
71.08620	1.7
71.17843	2.0
73.02905	7.6
74.09710	3.9
75.04457	1.7
79.05499	41.7
81.07061	89.9
83.04971	2.4
83.08622	8.2
85.02905	21.5
85.06543	2.5
91.03960	16.7
91.05484	25.8
93.07047	62.6
93.92889	1.4
95.04980	3.3
95.08613	68.5
97.02888	9.6
97.06533	2.4
97.10178	5.4
99.08081	2.5
104.75515	1.7
105.04546	1.7
105.07035	19.3
107.08604	38.7
107.61748	1.4
109.02843	1.5
109.10163	40.7
111.08120	2.0
113.09646	2.2
115.24249	1.5
117.07028	9.4
119.08598	14.7
121.10143	39.6
123.08103	1.9
123.11712	21.1
127.03941	6.9
131.08578	18.1
133.10141	14.6
135.11697	31.1
137.09619	1.8
137.13237	6.9
139.11128	1.7
143.08501	1.5
145.04962	10.6
145.10121	14.4
147.11665	11.1
149.13278	19.0
151.11168	1.7
152.25250	1.5
159.11673	13.4
161.13251	12.1
163.06030	12.3
163.14851	16.2
165.12752	1.8
173.13263	13.1
175.14867	5.9
177.12907	1.6
177.16397	5.5
179.14365	3.9
187.14806	8.4
191.14333	1.8
201.16429	2.3
205.15894	2.6
233.22701	3.2
240.84976	1.4
243.21111	30.9
248.65855	1.5
261.22159	100.0
279.23264	4.8
317.24802	1.6
335.25830	29.0
353.26843	36.1
479.30176	2.3
497.31024	6.6
677.34760	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	677.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54747	1.5
52.15967	1.9
53.03940	4.0
55.01868	3.9
55.05515	9.7
57.15426	1.5
65.03939	3.8
65.63194	1.6
67.05500	4.7
68.99805	2.4
69.03424	6.8
69.07065	7.0
69.42772	1.6
69.87769	8.7
71.01349	2.0
79.05470	9.8
81.03425	12.5
81.07050	6.4
83.04990	100.0
91.05479	16.5
93.07047	6.8
95.05003	8.0
95.08633	3.5
97.06549	1.7
103.05494	4.4
105.07030	6.8
107.04952	3.8
107.08607	3.6
109.02892	2.2
109.06519	4.1
111.04447	13.6
113.06017	85.7
115.05473	10.7
117.07022	8.3
119.04943	5.1
119.05950	1.7
121.06489	2.7
121.10159	3.3
122.03637	2.3
123.04430	9.9
123.08051	3.0
125.02298	3.1
127.03749	2.0
129.07025	10.9
131.04929	7.9
131.08578	5.8
133.06500	4.0
135.04437	5.7
137.02325	8.4
137.06001	26.7
138.03137	2.7
138.16417	1.7
139.03932	2.5
141.07007	3.3
143.04927	7.2
143.08554	5.0
144.05666	2.2
145.06482	10.6
145.10146	2.9
147.04404	5.7
147.08037	2.2
149.05998	6.7
149.09557	2.7
151.03973	2.3
151.07553	18.1
153.06976	4.0
155.03410	2.1
155.06087	1.8
155.08571	3.5
156.85439	1.7
157.06519	8.9
158.07307	2.3
159.04407	7.6
159.08105	9.4
160.05243	2.2
161.06007	8.3
163.03944	6.0
163.07562	7.7
165.05504	6.7
165.06937	3.4
167.08537	2.1
169.10178	2.2
169.62245	1.8
171.04437	3.4
171.08058	5.6
173.05969	15.3
174.06770	4.6
175.03958	2.0
175.07506	11.7
177.05528	2.0
177.09087	7.5
179.08447	2.4
181.06557	2.5
183.08043	2.4
185.06013	4.6
187.03923	3.3
187.07585	12.1
187.11137	4.5
189.05496	7.2
189.09137	13.3
191.07072	4.0
191.10722	8.6
193.10159	2.0
195.08054	4.2
197.05951	2.3
197.09642	3.7
198.30380	2.3
199.07556	3.9
201.05499	7.2
201.09093	10.0
203.07037	3.7
203.10661	14.8
205.08623	2.5
205.12247	17.3
209.06033	1.9
209.09608	3.7
211.07501	3.5
213.05443	3.3
213.09128	2.4
215.10719	4.8
217.04849	2.7
217.08461	3.1
217.12154	2.8
219.08313	2.0
219.10172	7.7
223.07608	3.5
223.11255	3.4
227.10732	3.5
229.04967	8.9
229.12253	7.6
231.06464	3.7
235.05827	2.1
235.11345	2.1
237.09180	2.4
239.07042	2.9
239.10728	2.1
241.04889	2.3
241.12248	3.1
243.06438	2.2
243.13811	3.9
251.06960	2.9
253.12405	2.3
255.06509	2.2
255.13843	6.2
257.15356	6.2
259.06012	3.0
263.06973	6.4
266.07913	4.1
267.06589	3.2
267.13785	3.9
273.14880	4.8
279.10196	2.0
281.08215	2.3
283.13147	1.9
285.14844	12.2
291.09842	2.4
293.07996	2.8
297.07590	4.6
303.15921	5.2
306.08618	2.2
307.09564	3.1
309.07690	3.5
315.09891	2.2
317.07727	1.9
321.07755	2.3
321.11209	2.6
323.09039	2.7
327.08609	3.9
335.09378	2.6
339.08838	2.1
357.09750	2.6
387.10629	3.4
395.11346	4.6
403.10129	2.3
407.11264	2.0
423.17444	1.9
425.12076	3.6
439.13916	19.2
455.13300	4.0
457.14490	2.4
550.07642	2.0
555.16956	1.9
563.20642	2.3
573.17627	2.7
581.21930	2.8
599.22638	2.4
609.19940	2.6
611.22986	11.9
629.24127	9.6
632.88586	1.8
641.23779	8.6
647.24487	5.0
659.25043	16.4
677.16425	2.1
677.26233	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.2
53.03951	4.4
55.01879	1.2
57.03443	0.7
57.65022	0.6
61.02931	1.3
65.03922	0.8
67.05499	0.8
69.03439	6.3
69.49796	0.6
70.06604	0.8
70.92832	1.8
71.04991	2.2
73.02921	2.2
79.05486	1.2
79.24631	0.7
81.03428	14.6
83.04987	1.3
84.34148	0.6
85.02915	31.0
87.04491	0.8
91.05490	1.5
93.03412	1.1
95.04956	0.8
96.57894	0.6
97.02903	22.0
99.03947	0.5
99.04462	22.1
103.03954	36.3
103.05448	2.6
105.03394	0.9
105.07033	1.1
109.02896	12.6
110.13167	0.6
115.03921	1.1
115.05463	3.3
117.06996	1.8
119.04967	1.0
121.06419	0.6
122.05524	0.6
123.04438	1.0
127.03932	44.6
128.06238	1.1
129.07045	6.1
131.04955	3.3
133.02878	1.9
135.04434	100.0
136.04810	0.8
137.02374	5.1
139.03902	1.0
142.58267	0.7
143.04951	4.6
143.05931	0.9
145.04985	23.2
145.06491	3.9
147.04448	2.3
149.02386	1.0
151.03922	29.8
151.07513	0.7
155.04968	0.7
157.06509	5.6
159.04422	3.9
161.05995	5.8
163.03938	2.3
163.06029	9.9
167.03429	1.0
169.05130	1.0
173.06009	30.7
175.03961	2.2
177.05481	0.8
179.08659	1.0
185.05997	49.5
186.06769	5.6
187.06018	2.5
187.07593	6.2
189.05515	3.3
191.08517	1.5
197.05991	1.0
201.05501	4.3
203.07065	30.5
205.04886	0.7
205.06950	0.8
207.08092	1.5
215.07042	9.3
219.06377	1.2
219.08211	2.3
221.09798	0.8
225.05423	1.1
229.04929	1.2
231.06410	0.8
233.08107	29.0
235.07657	3.1
237.08940	0.8
247.07822	4.0
249.07356	3.2
259.07684	1.6
262.06351	1.9
263.07062	1.6
265.08636	1.6
271.08060	3.3
275.07089	2.7
277.08679	3.8
278.05869	2.1
287.07477	1.2
293.08023	4.8
305.08057	6.8
313.11926	0.7
323.09268	6.1
335.09149	16.1
337.10779	1.2
353.10226	14.2
481.96671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77880	0.9
53.03956	4.1
55.01880	1.3
57.03444	1.9
61.02937	2.6
67.05515	1.7
68.99802	1.1
69.03437	6.7
70.06566	1.3
71.04992	3.5
71.09342	1.9
73.02921	2.6
73.87432	0.8
81.03429	13.8
83.04972	1.6
85.02911	31.9
96.97039	0.8
97.02898	16.9
99.04467	21.6
103.03953	35.5
103.05466	2.0
105.07043	1.6
109.02892	11.4
115.05455	4.1
117.07014	1.6
127.03933	46.2
128.06268	1.2
129.07022	5.8
131.04938	2.8
133.02881	1.9
135.04430	100.0
137.02361	5.2
139.03944	1.3
143.04991	5.1
143.05943	1.1
145.04973	23.1
145.06432	2.9
147.04422	1.0
149.02380	1.6
149.06105	0.8
151.03922	28.5
157.06483	6.5
159.04437	2.5
161.05937	4.0
163.03937	1.9
163.06027	11.0
173.06001	28.9
175.03911	2.5
177.05458	1.7
185.05998	48.9
186.06766	4.0
187.06006	2.0
187.07568	6.2
189.05463	3.0
193.87694	1.0
197.05992	1.4
199.07567	1.0
201.05495	3.6
203.07054	31.8
205.05043	1.1
205.06981	1.2
215.07036	9.4
219.08107	2.4
229.04977	2.0
233.08105	25.5
235.07491	4.0
247.07631	3.6
249.07579	2.5
263.07031	2.0
265.08807	1.5
269.87912	0.9
271.08194	1.6
275.07169	1.4
277.08649	3.6
278.05878	1.3
287.07404	1.3
293.08142	3.9
305.08099	6.9
307.10406	1.0
323.09222	6.9
335.09167	12.0
353.10251	15.0
526.35577	0.9
607.32703	0.9
699.15491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25830	1.0
52.40539	0.8
53.03940	1.8
53.31160	0.8
55.01869	1.4
55.05507	3.6
57.03437	3.0
61.02928	5.7
66.69494	0.9
67.05511	7.0
69.03437	2.6
69.07076	1.1
69.49673	3.0
69.50079	2.6
70.06606	5.9
71.04995	1.7
72.08145	1.1
73.02902	2.1
79.05492	6.2
81.03426	75.8
81.07057	6.2
83.04981	3.4
83.08622	19.1
84.08141	3.5
85.02911	7.5
86.09703	2.0
91.03967	5.7
91.05490	7.2
93.07037	4.6
95.04977	22.6
95.08618	1.3
97.02910	6.8
97.06522	1.1
103.03918	1.3
105.07040	6.5
107.04944	4.2
107.08592	2.2
109.02902	1.8
109.06511	1.7
109.10123	1.2
111.04449	2.7
111.08089	10.7
115.05513	0.8
117.07039	0.8
119.08588	8.2
121.06470	2.7
121.10149	4.8
123.04444	3.4
123.08072	0.9
127.03947	4.3
129.07043	6.1
131.08588	6.6
133.06497	2.1
133.10129	4.3
135.04439	0.9
137.05966	1.9
137.09726	1.2
139.03902	2.0
142.07787	1.3
145.04980	2.9
145.10188	1.3
147.08073	2.6
147.11726	6.4
149.09642	5.2
151.03889	1.2
157.10146	10.6
163.05965	5.9
163.11171	1.5
165.12781	1.7
175.11206	11.9
193.12262	58.9
211.13306	5.6
217.12556	0.9
229.76822	1.1
235.13301	3.8
259.13367	1.3
267.15945	38.7
273.14987	1.2
285.16989	100.0
286.17136	1.6
301.14514	1.7
309.16992	20.2
327.17865	2.4
339.16037	1.1
351.17975	2.0
363.18112	6.7
373.13965	2.1
375.18027	3.7
393.19107	3.7
411.20172	2.9
429.21255	14.6
591.26410	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43453	0.3
70.81585	0.6
93.92973	0.2
95.06140	0.4
97.86472	0.2
389.33508	0.3
412.15454	0.3
413.16360	0.7
414.17392	0.3
415.13779	0.4
429.15759	1.0
430.16364	1.1
439.13715	0.4
440.14383	0.4
441.20398	1.2
442.16464	0.6
443.17496	1.2
444.18085	1.4
445.18945	1.8
452.14682	0.3
453.15652	0.5
455.17654	0.5
456.18643	0.5
457.15134	1.7
457.19992	0.6
458.19858	0.6
459.20975	0.3
467.13019	1.0
467.17719	0.9
468.14401	0.9
469.15237	2.3
469.20248	0.4
470.15137	1.4
471.16309	3.2
472.17453	1.1
473.18295	0.6
480.13834	1.2
481.14725	2.4
482.15704	2.3
483.16751	4.0
484.17264	1.2
485.18533	3.6
486.18634	0.4
487.16214	0.3
494.16025	0.4
495.16684	10.2
496.17496	5.1
497.18253	9.1
498.19028	1.2
499.20020	1.0
500.17087	0.6
501.17081	0.3
502.18723	0.3
511.19742	0.7
513.17444	1.8
515.19183	0.8
527.19067	0.5
528.16229	0.3
529.21204	0.7
531.19055	0.7
539.18823	0.3
542.18018	0.5
543.22260	0.3
545.22803	0.3
555.18713	11.1
556.19385	1.0
557.20697	0.9
569.20325	0.5
573.24054	3.4
583.21906	0.9
585.23340	0.6
596.21185	0.4
601.22778	0.4
616.21490	0.4
617.22638	2.5
627.21869	0.5
642.23273	0.3
643.24182	4.2
644.24670	1.3
645.22009	2.3
657.25488	0.5
660.24353	5.0
674.46790	0.4
675.26630	100.0
676.26843	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	675.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03619	0.9
52.71800	0.9
53.03933	2.6
55.01870	1.6
55.05513	6.2
57.07069	4.2
63.80477	1.1
65.03930	1.4
67.05511	11.1
69.07077	21.5
70.68330	2.4
71.08635	1.5
71.23650	0.9
72.08154	1.0
77.03925	1.3
77.42071	0.9
78.04720	1.8
79.05503	12.5
81.07065	71.0
83.08627	6.0
91.05493	9.1
93.07048	11.1
95.04960	2.2
95.08617	36.8
97.10191	1.8
103.05464	4.2
105.04513	1.2
105.07041	20.8
107.04966	16.6
107.08619	9.1
109.06514	1.0
109.10163	16.8
111.11711	1.8
111.44643	1.0
112.41864	1.0
115.05456	8.9
116.06242	1.0
117.07001	6.7
118.04148	1.4
119.08577	7.0
121.06504	4.3
121.10148	6.0
122.03651	1.2
123.04446	3.3
123.11719	15.6
124.05231	3.0
125.05966	1.0
128.06174	1.8
129.07027	5.8
131.04974	4.8
131.08598	3.6
133.06516	18.3
133.10159	3.9
135.08078	2.3
135.11682	7.3
137.05988	1.8
137.13264	27.3
138.11470	1.0
140.88097	1.1
141.07019	2.1
142.07736	1.1
143.04929	2.0
143.06078	1.5
143.08557	3.7
144.05710	2.9
145.06493	11.9
145.10139	2.6
146.03654	1.2
147.08041	4.2
147.11688	3.4
149.13246	5.5
151.03922	1.7
151.07550	3.3
151.14813	1.3
152.04716	2.0
153.05554	1.3
153.06970	2.0
155.05998	1.3
155.08516	1.4
156.05733	1.7
157.06528	4.6
158.07275	2.1
159.08057	5.4
159.11661	1.4
161.06006	28.6
161.09602	1.6
161.13284	3.0
163.07559	3.6
163.14830	2.5
165.06996	1.2
167.07060	100.0
169.06499	1.4
169.10121	1.3
170.07198	1.4
171.08034	3.6
172.05315	1.9
173.05977	9.7
173.09628	1.5
175.07542	7.6
175.14745	1.5
177.05431	1.5
177.09082	1.2
177.16493	2.2
178.06261	6.1
179.17920	1.3
181.06422	1.3
181.06960	1.2
181.08636	16.4
181.10136	0.9
183.08156	1.1
185.05969	1.2
185.09622	2.3
186.06786	1.3
187.07588	8.6
189.09137	5.3
190.06291	1.7
191.06976	4.7
192.07802	3.1
193.08618	29.7
193.10320	1.8
195.08109	2.2
195.10150	2.9
196.08885	1.7
197.09677	2.6
199.07561	2.4
201.09158	2.4
202.06230	1.3
203.07002	1.7
203.10721	1.5
203.17909	1.8
204.07811	2.4
205.06764	1.9
205.08620	18.2
205.19608	0.9
206.09312	1.2
207.10178	23.1
209.08029	2.3
209.09732	2.0
210.06786	1.3
211.07538	1.3
211.11328	1.5
213.09174	2.1
215.10661	2.3
217.08583	9.0
217.19481	1.8
219.08078	2.2
219.10156	18.0
219.20982	1.2
221.09848	1.8
221.11710	9.7
223.09648	21.9
223.11610	1.4
225.09148	2.3
227.10707	4.2
231.10146	10.5
233.11739	8.3
235.13326	3.2
237.11235	4.2
239.10631	1.5
241.12263	2.5
243.10234	2.8
245.11732	4.9
246.06744	1.1
247.13223	7.5
249.11203	4.5
255.13692	1.3
257.11807	4.1
259.13330	3.0
261.14917	2.0
271.09796	1.6
271.13318	1.7
273.14859	3.3
273.25732	3.7
283.13306	1.0
285.14844	2.0
287.16217	1.3
289.17877	1.5
299.09003	1.5
299.16428	1.5
301.14670	1.4
301.17871	5.5
303.19540	8.6
305.07980	1.0
313.17874	1.1
315.08612	2.8
315.19470	1.3
327.19589	2.4
329.21225	5.2
330.10989	2.0
331.11673	5.5
339.12347	1.1
341.21091	2.9
343.22610	2.1
357.13220	2.4
365.20901	1.1
367.11798	1.2
367.22916	1.2
383.14767	2.4
383.26016	1.3
385.16199	1.6
385.23865	1.3
397.16632	2.8
415.17618	3.2
455.20898	2.3
465.33588	3.8
483.23618	1.8
521.28931	4.3
539.29840	2.8
551.29871	1.8
657.41144	3.2
675.42578	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	675.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13369	0.3
61.86807	0.3
69.76986	0.3
70.76463	0.4
70.76801	0.5
85.82613	0.3
94.62252	0.3
190.20255	0.3
267.73495	0.3
290.42773	0.3
441.19293	0.5
443.17532	0.5
444.18219	0.4
445.18774	0.5
453.15594	0.4
454.16571	0.6
455.13422	0.6
456.13928	0.3
457.14789	0.5
467.13092	0.8
468.13904	1.9
469.14780	6.2
470.15289	1.6
471.16782	1.2
472.17798	0.7
479.17172	0.4
481.14697	2.5
482.15936	7.9
483.16690	8.6
484.17758	1.5
485.18353	1.2
495.16708	2.5
496.17572	4.3
497.18286	35.0
498.18997	3.4
499.19876	0.4
500.17178	0.4
509.18353	0.6
510.19046	1.7
511.19882	4.7
512.20856	1.7
515.19330	0.9
523.16254	0.4
526.18982	0.4
528.16174	1.9
529.17462	0.6
538.19934	0.7
539.19946	0.5
541.17169	1.0
542.18201	1.7
555.18652	4.0
556.19763	3.5
557.20563	3.1
569.20331	0.8
573.23358	0.5
583.21637	0.4
613.23083	0.4
616.21765	1.0
617.22583	1.2
629.22736	0.5
630.23035	0.5
631.24463	0.4
643.23999	7.1
644.24738	6.4
645.23920	1.3
657.25623	6.8
660.24615	1.3
675.26678	100.0
676.26996	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	674.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59023	0.1
55.05516	0.2
57.96540	0.1
58.42693	0.1
65.03957	0.3
67.04255	0.2
67.05510	0.2
68.99802	0.1
69.03442	0.2
69.85993	0.7
70.06603	0.5
71.04990	0.2
71.19522	0.1
72.08134	0.1
79.05489	0.2
81.03426	0.4
82.06589	4.1
83.82841	0.1
84.08151	100.0
85.02915	0.6
85.08495	0.3
91.05485	0.1
95.04990	0.2
97.02920	0.2
97.06549	0.4
100.07618	0.2
105.07070	0.2
107.04994	0.2
109.02876	0.3
112.07657	0.2
115.05508	0.2
119.04980	0.1
121.02850	0.1
123.04453	0.3
124.05237	0.1
124.07613	0.6
126.09174	0.2
127.03967	0.2
128.07079	0.3
131.04944	0.2
133.02888	0.3
135.04465	0.3
137.06090	0.1
139.03917	0.2
142.07742	0.1
142.08617	0.7
144.10217	4.0
145.06534	0.4
146.07278	0.2
147.04457	0.4
151.03923	4.6
151.05128	0.2
151.07549	3.3
157.06528	0.2
158.07304	0.4
159.04486	0.5
159.08096	0.2
161.05983	0.4
163.03987	0.4
165.05495	0.3
167.03479	0.2
167.06981	0.2
172.08907	0.2
173.06000	0.3
174.06786	0.8
175.03990	0.4
175.07581	0.2
177.05534	0.1
177.09152	0.3
186.06839	0.2
187.07574	0.2
188.08348	0.4
189.05531	0.4
189.09137	1.7
191.10690	0.2
201.05528	0.5
201.09108	2.0
202.09915	0.9
203.07098	0.2
203.10747	0.4
213.09184	0.2
216.95969	0.1
219.10294	0.3
231.10149	0.2
245.04601	0.2
246.13438	0.1
249.09238	0.2
252.12576	0.2
259.09894	0.1
263.07092	0.2
265.11969	0.1
270.13406	0.8
277.08752	0.3
278.09573	0.3
288.14429	12.5
289.08707	0.1
290.09363	0.2
293.08673	0.1
293.11798	0.3
305.08334	0.1
307.09738	0.2
308.10580	0.2
309.11179	0.2
321.11292	0.3
323.09253	0.1
336.09955	0.1
339.12451	0.5
351.12259	0.6
362.51199	0.1
369.13391	0.3
397.69125	0.1
426.17435	0.2
635.82483	0.2
674.28113	27.8
675.28851	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73386	0.7
55.05511	4.6
57.03439	3.5
57.07080	38.3
61.02931	14.5
67.05193	0.6
67.05511	9.3
69.03416	1.5
69.07069	7.0
71.04976	0.8
71.08636	32.4
71.52830	0.7
73.02916	5.4
74.77515	0.6
74.77926	0.6
75.04483	1.8
79.05476	0.8
80.02457	0.6
81.03410	0.7
81.07063	14.3
83.05013	0.7
83.08626	12.2
85.02914	17.5
85.06532	0.7
85.09662	0.9
85.10187	16.7
85.96510	0.5
89.06037	1.1
91.03411	1.0
91.03957	14.7
93.07024	0.9
95.08612	23.3
97.02905	8.8
97.10187	7.1
99.04419	0.7
99.11721	1.2
103.03947	0.6
103.07589	1.0
109.10162	11.5
111.11711	2.2
123.11720	4.8
125.13270	1.0
127.03925	6.0
137.13255	2.5
145.04991	7.4
151.14825	0.7
163.06023	13.7
163.74666	0.6
178.53914	0.6
239.23715	21.4
257.24747	4.1
298.27478	0.7
313.27377	100.0
314.27747	1.4
331.28436	53.1
467.65460	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
54.30073	0.4
55.01876	2.8
57.03422	1.5
61.02924	1.4
65.03934	0.9
67.01856	1.8
67.05494	0.5
68.99802	0.7
69.03416	1.3
70.68507	0.9
73.02920	0.9
77.03925	0.4
79.05499	2.5
81.03414	1.6
83.01350	0.5
83.04993	0.9
85.02907	7.6
91.05474	1.4
93.03413	3.4
93.07052	0.8
95.01328	0.7
95.04958	1.0
97.02895	8.3
103.03938	3.4
103.05460	1.5
105.03391	1.0
105.07034	1.0
107.04970	3.7
109.02905	3.9
111.04462	1.9
115.05453	1.2
117.06987	0.9
119.04945	1.8
121.02871	7.3
121.06490	1.2
122.03567	0.4
123.04424	2.5
125.02380	0.4
127.03892	1.6
128.06216	0.4
129.07010	0.8
131.04933	3.2
133.02884	0.7
133.06477	1.0
135.04431	7.0
137.02319	1.3
137.06003	1.2
139.03902	5.1
141.06978	0.9
145.02824	0.8
145.06491	2.5
147.04453	4.0
149.02316	2.1
149.05997	3.6
151.03912	8.2
151.07626	0.4
152.04288	0.5
153.05414	0.9
157.06477	0.6
159.04439	9.7
159.05780	0.5
161.05974	2.2
163.02557	0.8
163.03917	15.0
163.07545	0.8
165.01894	0.4
165.05441	2.1
167.03404	4.0
169.04945	2.5
169.06442	0.6
171.04449	1.1
173.05969	4.6
175.03915	16.7
177.05476	21.3
179.03459	0.7
181.04967	49.2
182.05319	0.5
185.06035	1.7
187.03912	13.1
187.07523	0.7
189.05476	3.1
191.03323	0.6
191.07031	4.7
193.04974	58.9
194.05266	0.5
195.06538	1.2
197.05968	2.4
199.03983	1.2
201.05484	13.0
201.07419	0.7
203.03423	0.8
203.07019	0.6
205.04977	35.8
207.02895	0.4
207.06535	4.6
211.06044	5.7
213.05515	3.5
215.07048	2.3
217.04973	5.5
218.05653	0.4
219.06538	20.9
221.04466	2.4
223.06026	45.4
225.05460	4.4
229.04980	7.3
231.02969	0.5
231.06537	5.0
233.04475	0.8
233.08051	2.5
235.06026	11.7
241.04932	3.9
243.06560	6.4
245.04512	0.8
247.06038	58.4
248.06277	0.5
253.04945	3.2
259.06030	14.6
259.08783	0.7
261.07721	2.7
265.07059	1.9
271.06018	8.0
273.03946	4.4
277.07092	28.9
281.65298	0.5
289.07089	27.5
295.08081	2.2
301.03436	6.1
302.04233	0.8
303.04926	0.5
307.08121	13.3
313.09143	7.3
325.09192	70.6
326.09427	0.4
330.13312	0.5
331.10297	4.6
331.13770	0.5
343.10254	100.0
343.63535	0.4
344.10635	1.1
349.45615	0.4
476.27295	0.4
511.12415	8.1
515.76624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.0
57.03443	4.2
57.07080	31.4
61.02932	12.0
61.50471	0.4
61.96376	0.5
67.05181	0.6
67.05510	7.6
69.03442	0.9
69.07072	6.4
69.28638	2.5
71.08636	27.4
73.02926	4.1
74.61648	0.5
75.04495	2.1
76.74555	0.4
79.05494	0.6
81.03419	0.7
81.06590	0.9
81.07062	13.7
83.08621	11.3
85.02908	13.6
85.06516	0.6
85.10184	16.6
89.06039	1.3
90.75878	0.4
91.03415	0.7
91.03959	12.5
95.08613	22.3
97.02888	6.7
97.10170	5.2
98.20804	0.8
99.04461	0.7
99.08142	0.5
99.11724	1.2
103.07575	1.1
109.10162	9.5
111.11745	1.0
115.03928	0.7
123.11714	5.4
125.09656	0.4
125.13286	0.8
127.03915	4.7
137.13254	1.8
145.04973	6.6
151.14806	0.9
163.06026	9.7
221.22696	0.7
239.23706	18.7
257.24808	4.2
298.27386	0.6
313.27377	100.0
314.27728	1.3
331.28442	36.0
332.29059	0.6
475.32544	2.7
594.66663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.0
55.01871	1.5
55.05521	5.2
56.96584	0.9
65.03934	1.2
67.05505	6.3
69.07078	10.3
70.06592	1.2
71.01305	0.9
71.52115	1.2
71.89534	1.0
73.82891	1.0
77.03894	1.2
79.05495	7.3
81.03416	2.9
81.07066	8.0
83.04982	1.3
83.08621	1.1
87.94650	0.9
91.05490	16.7
93.07053	53.2
95.04973	2.4
95.08601	2.9
97.06562	1.5
97.10152	1.6
105.04523	1.5
105.07056	8.0
107.04977	6.7
107.08607	39.7
107.62917	0.9
108.05753	1.5
109.06520	2.2
109.10156	6.8
111.11711	2.0
115.05463	1.5
117.07064	2.1
118.06541	1.5
119.04980	2.3
119.08570	3.6
121.06510	4.4
121.10155	1.7
123.11696	4.3
128.06223	1.5
129.07011	4.3
130.06517	1.1
131.04944	9.5
131.08586	1.8
133.06558	4.6
135.04417	2.4
135.06752	1.3
135.11707	34.6
136.05173	4.5
137.06026	4.4
139.07559	3.1
141.06982	1.7
142.07822	1.6
144.05688	3.2
145.06476	4.7
145.10133	1.8
146.07228	2.2
147.08054	4.5
151.07564	56.0
152.07091	4.4
152.08170	1.2
155.08543	2.3
157.06534	4.8
157.10150	1.9
158.06096	1.4
158.07307	9.9
159.04436	4.0
159.08066	6.9
160.08887	1.0
161.06020	1.4
161.09612	1.4
164.07080	13.5
165.05568	1.3
165.09129	1.5
167.07051	2.3
170.07315	1.9
171.08116	5.0
172.08838	4.3
173.06024	2.0
173.09633	4.3
174.06787	43.3
175.07455	1.2
175.91496	1.0
176.07045	5.7
177.09102	4.0
178.08669	1.1
179.07097	1.2
185.09650	15.8
186.06787	1.6
188.08340	3.9
189.09125	100.0
192.10275	1.4
199.11209	4.7
201.09132	38.5
202.08546	1.3
203.10686	7.5
204.10135	4.5
206.11726	1.4
218.11784	4.5
219.10168	14.5
224.08247	1.8
225.09055	2.2
227.12796	1.7
230.11772	3.0
231.10172	6.1
240.07880	1.2
241.15898	20.2
249.11208	10.6
253.08727	1.4
255.10222	3.2
267.15997	2.0
268.10925	2.9
277.08960	1.2
283.09683	4.7
284.10355	2.2
286.18063	6.9
298.12048	13.5
299.12775	5.4
305.11731	3.1
311.12683	2.2
319.13361	1.7
320.14011	4.6
324.13525	2.8
336.13623	1.7
339.15909	2.6
341.17719	1.0
351.15961	8.9
369.17010	8.8
475.26791	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	670.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
55.05517	25.9
57.03448	8.3
57.07082	13.7
61.02934	26.1
65.03947	1.2
66.65116	0.9
66.93254	0.8
67.05511	35.2
69.03433	2.1
69.07074	42.7
69.24498	6.0
69.24921	2.4
71.04977	2.9
71.08632	10.1
73.02926	9.9
75.04483	2.7
79.05499	13.6
81.07064	49.3
82.76114	1.0
83.04972	2.1
83.08627	38.5
85.02912	31.5
85.06540	2.6
85.10177	2.6
87.04444	1.1
91.03967	26.1
91.05495	1.8
93.07050	22.5
95.08616	36.4
97.02902	15.1
97.06530	8.2
97.09549	1.4
97.10181	25.4
99.04457	1.8
99.08105	2.1
101.05973	1.1
101.09691	1.2
105.07030	1.5
107.07890	1.2
107.08597	18.2
109.10157	16.1
111.08102	6.3
111.11753	7.1
115.03946	1.2
121.10156	41.2
123.11723	12.1
125.09659	4.8
127.03934	11.1
127.11177	1.4
135.11707	37.2
137.13274	10.6
139.11195	2.9
141.12744	1.1
145.04974	13.1
149.13268	14.5
151.14812	1.8
153.12776	2.4
157.12160	1.1
163.06030	21.8
163.14865	5.3
167.07021	1.0
167.14317	1.3
177.16412	3.3
197.18248	0.9
213.31131	0.9
219.21109	42.6
237.22145	93.9
255.23221	24.6
311.25833	100.0
312.26035	1.6
322.36505	1.1
323.48349	1.0
329.26880	79.6
330.27225	1.2
346.89569	1.1
473.31085	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	671.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.5
55.05272	1.5
55.05520	22.3
57.03440	8.3
58.76498	1.2
59.04999	1.7
67.05180	2.1
67.05514	30.3
69.03439	8.2
69.07063	7.7
70.06604	2.3
70.26356	1.1
70.42505	1.7
70.42864	3.7
70.61866	1.1
71.04989	5.2
79.05500	32.0
81.03421	18.5
81.07062	23.4
83.04976	5.6
83.08625	17.6
85.02910	5.1
85.06550	2.1
85.19014	1.2
90.09634	1.2
91.03941	1.6
91.05482	17.8
93.07061	23.0
94.67370	1.2
95.04976	15.5
95.08627	12.7
97.02917	4.7
97.06537	5.3
97.10182	23.2
99.04449	2.0
101.09670	1.5
101.18793	1.2
103.05489	2.3
105.04595	1.6
105.07037	12.8
107.04966	21.6
107.08589	15.7
109.02895	2.0
109.06532	11.3
109.10162	13.1
111.04458	1.9
111.08085	4.6
115.05461	2.1
117.06989	7.5
119.04941	1.6
119.08605	9.0
121.06507	14.3
121.10161	8.4
123.04454	3.3
123.08069	5.2
123.11723	3.9
125.06007	2.2
125.09653	21.5
127.03864	1.3
128.06210	2.5
129.07030	5.8
131.04953	5.5
131.08572	9.9
133.06503	4.8
133.10152	5.2
135.03395	1.2
135.04404	1.6
135.08046	8.5
135.11732	4.7
137.05974	3.6
137.09637	3.2
141.07050	2.6
141.76117	1.1
143.08604	4.2
145.06523	9.2
145.10144	7.6
147.04410	2.3
147.08075	5.7
147.11702	4.9
149.05995	2.6
149.09660	4.6
151.00412	1.6
151.03880	1.5
153.09125	5.3
153.12755	1.9
155.08549	2.6
157.06502	3.0
157.10101	5.0
159.08044	4.2
159.11716	3.0
161.06004	2.2
161.09651	2.9
161.13298	2.1
163.11201	6.4
165.09126	16.4
167.08551	1.7
167.10689	2.1
169.06560	1.3
169.10213	2.9
171.08066	3.4
171.10271	1.3
171.11687	3.0
173.04463	2.1
173.05930	1.9
173.09621	3.7
173.11739	2.2
173.13222	2.2
175.07481	1.7
175.11206	3.3
181.10193	1.8
181.11987	1.3
183.08115	1.8
185.09618	1.5
187.11197	3.9
187.14806	2.0
189.09494	1.1
189.11212	7.3
189.12749	2.7
191.10686	1.3
193.12308	6.1
195.11702	1.7
197.13351	2.3
199.11221	3.5
201.09184	1.6
209.11644	1.9
209.28299	1.3
211.13179	1.7
215.14308	4.3
217.12288	2.0
219.13815	3.2
225.12781	1.6
227.12784	4.6
229.14323	3.4
230.14755	1.4
233.15424	4.6
243.13760	1.7
249.14754	1.6
255.13803	3.8
259.13272	1.3
267.15912	10.9
271.17072	1.3
273.14767	8.2
283.15488	1.7
293.17300	1.3
339.23337	3.0
349.21683	7.7
357.24411	3.7
367.22644	25.3
385.23785	39.1
386.24271	1.6
403.24762	13.5
405.23923	1.5
441.26431	7.0
456.26715	1.5
459.27478	100.0
460.27792	4.0
477.28537	79.7
478.28830	3.2
491.30234	10.2
509.31299	3.7
595.46558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01877	1.7
57.03437	2.1
58.99586	1.1
61.02931	2.1
69.03440	5.6
69.36372	9.0
70.06583	2.2
72.08167	1.6
74.00665	3.3
81.03426	8.9
85.02917	15.5
86.09695	1.6
88.04008	3.7
91.05492	4.2
95.04981	2.2
97.02897	4.7
98.21526	2.0
106.06593	1.5
107.04965	4.0
108.05820	1.3
109.02885	5.0
109.06503	1.5
115.05437	2.3
117.06996	1.9
120.01151	3.7
121.06493	4.0
122.02724	5.0
123.04427	3.6
125.00590	1.9
125.02360	3.9
128.06216	2.1
129.07022	2.7
131.04886	2.9
131.08588	1.3
136.05212	3.2
136.78366	1.2
137.05949	6.2
139.03856	2.1
139.07532	2.7
143.04947	1.7
144.05682	2.2
145.06497	4.9
146.07240	2.7
147.04372	2.6
149.05991	1.6
151.07552	100.0
153.05478	8.6
157.06482	3.7
158.07248	4.8
159.04428	2.2
159.08049	3.9
160.05170	2.6
160.08862	19.4
161.05978	6.7
161.09634	3.4
163.03917	1.7
165.00069	2.6
165.05479	20.9
165.06729	2.0
165.09081	1.6
169.03220	1.6
170.00334	1.3
171.01112	12.2
172.08850	4.2
173.05972	4.8
174.06781	8.2
175.02165	1.5
175.03888	1.3
175.07562	10.2
176.08334	7.8
177.05513	2.7
177.09138	14.2
179.07184	2.4
183.01126	4.3
185.02682	18.1
187.07556	6.8
188.08354	11.1
189.03981	1.3
189.05507	6.9
189.09106	25.4
190.06306	2.1
191.01770	1.5
191.07039	3.1
191.10675	37.6
194.00304	1.5
195.01196	2.0
197.02734	2.2
199.00606	6.1
201.09106	23.6
202.09908	5.3
203.01807	1.4
203.07080	3.3
203.10698	13.6
204.07838	4.8
205.03241	1.6
205.08662	3.9
209.02682	10.8
213.09021	1.2
217.02962	1.6
217.08650	10.3
219.10172	65.8
220.01862	1.5
221.02666	4.2
223.04277	3.3
228.03259	1.4
231.10211	5.6
233.02705	1.7
235.04343	6.4
235.07591	2.7
235.09698	1.9
246.04388	1.5
247.07497	1.7
248.08397	2.4
249.09061	2.8
249.11278	4.1
251.03656	1.8
253.05424	2.3
253.08640	2.1
260.05865	3.3
260.08374	1.6
263.03741	3.5
263.06995	2.2
264.08026	1.3
265.08588	2.0
267.04541	1.4
277.08624	5.0
279.06671	2.6
279.10190	3.1
281.04837	4.2
285.05627	2.0
291.10114	3.8
292.07349	2.8
292.10800	1.8
293.08148	4.8
294.08936	3.1
295.09714	1.7
297.05573	1.9
299.09549	6.4
300.09900	4.2
301.05402	1.4
306.08978	3.1
307.04260	2.2
307.09555	8.4
308.04965	1.3
308.10413	3.3
309.11200	2.8
311.09137	2.7
313.05334	6.7
314.06073	2.1
317.04861	1.8
319.09955	1.4
320.10388	2.2
321.05658	1.9
321.11212	3.2
322.07758	2.6
322.11774	1.6
323.09387	8.0
324.04584	2.1
325.05304	4.2
325.10703	4.6
326.11508	5.2
327.06934	3.1
328.12976	1.7
331.06323	4.9
333.07852	3.9
335.09210	1.8
336.09921	1.2
337.05301	2.9
337.10577	4.9
338.05701	2.2
338.11545	16.9
339.06967	6.0
339.12341	7.6
340.07767	2.4
340.13043	10.8
341.04712	2.7
341.08472	3.0
345.07956	4.5
350.06265	1.4
350.11597	2.2
351.06897	2.9
352.07785	3.5
352.13037	5.5
353.08710	4.7
354.14789	3.0
355.06250	2.1
356.07150	5.3
357.07855	1.4
359.09442	4.8
365.08249	2.7
368.07413	2.8
368.12607	4.5
369.08463	1.8
369.13113	5.7
370.08786	4.0
371.09521	43.1
372.15649	10.9
373.11115	3.8
383.09500	14.1
385.10980	9.8
389.10699	4.0
401.10605	50.2
403.12125	21.3
419.11588	42.8
427.11536	1.5
445.13174	1.8
448.14069	3.4
460.14194	11.5
462.15695	1.9
472.14038	2.4
478.15286	4.0
490.15356	29.2
508.16391	90.3
509.16443	2.4
550.17139	2.0
616.18396	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	670.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
58.99600	1.6
65.03935	1.7
69.03404	3.0
69.18059	1.4
69.18388	12.8
70.06585	2.9
74.00652	3.7
81.03419	11.2
85.02898	7.1
87.87913	1.1
88.04005	2.3
91.05476	3.9
95.04993	1.8
97.02889	3.5
98.44553	1.2
105.07023	2.0
107.04973	4.4
109.02871	4.6
115.05440	3.7
116.07080	2.1
119.04913	1.4
120.01142	6.4
121.06476	2.7
122.02753	6.1
123.04427	4.0
125.00584	2.3
125.02357	3.9
128.06242	2.0
129.07028	3.0
131.04941	2.2
131.08563	1.2
133.06505	2.1
135.04428	2.0
136.05222	2.2
137.00554	1.7
137.05994	7.3
139.03923	1.7
139.07561	1.9
143.04887	3.2
145.06494	6.0
146.07291	5.3
147.02730	1.4
147.04404	3.9
151.07549	100.0
153.05431	6.0
157.06468	2.1
158.07333	3.7
159.04459	3.4
159.08051	5.0
160.05147	3.7
160.08849	20.9
161.05983	7.6
161.09642	4.5
163.02040	1.6
163.03961	1.9
163.07486	1.3
165.00087	2.5
165.05469	19.5
165.09172	1.6
170.00272	1.6
171.01111	10.9
172.08836	4.4
173.05948	2.8
174.06767	8.0
175.07549	11.4
176.08325	8.5
177.05605	2.3
177.09109	13.4
179.01604	1.9
179.07021	2.2
183.01120	5.1
185.02693	14.1
187.07489	7.0
188.08366	10.5
189.03918	1.3
189.05418	5.9
189.09117	24.4
190.06258	2.5
191.01746	1.7
191.07018	2.7
191.10667	34.7
197.02684	3.4
199.00610	4.9
201.09084	20.1
202.09929	4.4
203.07062	3.0
203.10651	12.9
204.07869	4.6
205.08620	2.7
209.02698	10.9
217.03110	1.4
217.08522	8.0
219.10162	63.1
220.02008	1.7
221.02675	3.8
223.04268	4.0
225.02327	1.6
228.03282	1.6
229.08617	2.0
231.10162	5.4
233.02698	3.0
235.04263	5.2
235.07542	2.8
235.09651	1.9
240.03162	1.4
247.09810	3.7
249.09251	2.5
249.11351	2.7
251.03772	2.6
253.08665	1.6
257.08163	1.8
260.05878	2.6
261.09247	1.8
263.03802	3.9
263.07077	4.9
264.07697	1.8
265.08621	3.0
266.09363	1.8
267.10028	2.2
277.08633	5.4
279.10040	1.4
281.04825	5.4
291.10175	4.4
293.08252	2.3
294.08798	2.2
295.09784	3.6
296.05045	1.4
299.09357	6.0
300.10077	2.1
306.08963	1.5
307.09659	8.3
308.05011	1.5
308.10303	2.8
309.11102	3.1
310.06927	1.5
311.09290	2.6
313.05255	5.9
314.05972	3.0
318.05688	1.5
320.10315	2.2
321.11206	2.9
322.07626	1.6
322.12045	1.6
323.09238	11.6
325.05087	2.9
325.10608	4.4
326.11533	5.4
328.12787	1.8
331.06262	3.0
333.07919	5.5
335.09103	1.7
337.05423	1.7
337.10654	5.9
338.11511	16.9
339.06842	4.0
339.12296	7.3
340.07663	3.0
340.13010	9.7
341.04681	2.4
341.08499	1.7
341.13696	3.5
345.07944	6.5
350.11630	1.7
351.06897	3.2
351.12317	2.9
352.08060	2.1
352.13049	5.1
353.08572	3.7
354.14658	1.8
355.06265	3.1
356.07239	2.8
357.07867	2.7
359.09525	3.9
365.08499	2.7
368.07462	1.7
368.12457	3.9
369.08588	2.0
369.13324	3.8
370.09018	2.6
370.13989	1.9
371.09512	46.3
371.14270	3.1
372.15646	9.5
373.11017	5.3
383.09479	13.9
385.11209	8.0
389.10760	1.7
401.10574	49.8
403.12079	16.2
419.11609	39.7
448.14050	2.2
460.14206	9.2
462.15720	2.4
472.14227	1.6
478.15390	2.2
490.15317	17.9
508.16418	61.9
508.23938	2.9
561.38745	1.6
568.57794	1.6
586.17889	1.6
616.18158	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	669.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.05512	10.8
57.07065	4.3
67.05508	15.7
69.07071	56.9
71.08620	1.3
79.05490	11.6
81.07060	100.0
83.08621	9.7
85.10181	1.1
91.05476	4.6
93.07048	9.8
95.04955	1.2
95.08612	42.7
97.10172	4.1
105.06377	0.9
105.07023	5.0
107.08595	11.7
109.10159	28.8
111.11723	6.0
115.05433	1.3
117.07003	2.6
119.08572	3.4
121.06461	1.9
121.10139	9.6
123.11722	20.6
125.13290	1.6
126.85780	1.1
128.06232	1.5
129.06992	3.5
131.04941	1.7
131.08546	2.5
133.10092	3.1
135.11719	8.6
137.06018	6.4
137.13254	19.1
141.06984	1.3
142.07790	1.8
143.08565	3.4
144.05708	1.6
145.06497	2.2
145.10150	1.9
149.13264	5.4
149.15343	1.3
151.07547	13.6
151.14828	3.4
155.08617	1.8
157.06485	3.4
157.10092	1.7
158.07346	1.2
159.08109	5.0
163.07547	2.8
163.14767	2.7
165.09116	2.8
167.08421	1.2
169.10107	2.1
170.07265	1.5
171.08020	3.9
172.08868	1.1
173.09645	2.9
174.06781	3.1
175.07574	9.7
177.09073	6.4
177.16315	1.9
183.08055	2.2
183.11717	1.7
185.09610	5.1
187.07550	3.8
187.11133	2.1
188.08301	2.0
189.09116	17.2
190.09833	1.4
191.10669	13.0
191.18048	2.0
195.08089	2.0
197.09641	3.5
199.11232	2.9
200.08376	1.4
201.09097	9.4
202.09781	1.9
203.10670	16.2
205.12201	3.7
205.19492	1.3
209.09619	2.3
211.11221	2.7
213.09167	5.3
213.12642	1.4
214.09802	1.8
215.10709	9.0
216.11528	1.7
217.12265	13.3
219.21075	1.4
223.11195	2.3
225.09106	1.4
225.12729	2.1
227.10626	3.8
228.11398	2.9
229.12228	10.8
230.12994	1.1
231.13783	6.4
235.11208	1.2
237.12643	1.9
239.10762	1.2
239.14262	1.4
241.12241	5.0
242.12984	2.2
243.13869	5.1
245.15387	1.9
251.14342	1.8
253.12335	1.3
253.15932	2.5
255.13803	3.5
257.15283	2.9
269.15378	2.6
271.16934	7.4
273.18518	17.2
273.25745	1.7
281.15326	1.9
283.16901	4.0
285.18488	17.4
287.20023	4.2
297.18427	5.2
299.20087	2.9
301.21698	1.1
309.18292	1.4
311.20023	2.7
313.21552	1.7
325.21619	3.3
327.23157	4.9
339.23175	4.0
343.66904	1.2
353.24637	4.2
356.44128	1.3
365.24728	1.9
377.28586	1.4
393.27805	1.6
407.29419	5.2
409.30997	22.6
421.30795	1.8
423.32776	2.2
432.75760	1.3
449.34167	2.4
451.35953	2.6
461.33813	1.6
463.35733	2.2
545.43579	5.9
559.45026	1.8
587.48474	7.0
592.13330	1.2
669.40906	4.0
669.56030	24.7
670.56134	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.27
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.7
66.04719	0.6
70.06577	1.1
79.05497	1.0
81.07037	0.5
84.04493	0.3
91.05497	3.6
94.04185	3.7
95.04987	0.8
103.05476	1.3
105.07047	0.8
107.04980	0.6
109.06532	0.5
115.05452	0.8
117.07082	0.4
119.04946	1.9
122.03660	8.7
122.04491	0.7
125.05972	0.4
128.06279	0.6
129.07016	0.9
130.04991	0.4
131.04958	1.9
131.08574	0.5
135.04456	0.5
136.01794	0.4
137.05989	100.0
138.06323	0.8
141.06998	0.9
144.05753	0.7
145.06505	0.5
146.03636	0.4
147.04437	0.7
148.98914	0.4
149.06003	0.8
151.03993	1.1
151.07559	5.6
152.15602	0.4
153.05489	0.6
153.07010	0.8
155.08568	0.7
157.06528	0.4
158.07358	0.4
159.08089	0.8
161.05983	3.3
163.07576	2.9
165.06973	1.6
167.08548	0.6
169.06544	0.5
170.07372	0.4
171.08061	0.6
175.07582	1.6
177.05537	0.8
179.08510	0.4
181.06483	2.7
182.07256	0.8
183.08043	1.1
185.05901	0.5
185.09657	0.4
187.07549	3.2
189.09204	0.6
191.08604	0.6
192.23164	0.4
193.06567	1.2
194.07173	0.3
195.08109	1.6
196.05354	0.5
196.08952	0.5
197.06021	0.5
197.09694	0.5
198.06721	0.5
199.07541	1.1
200.08229	0.4
201.09111	1.9
202.07750	0.7
203.08804	0.4
203.10681	0.8
205.06693	0.4
205.08676	0.6
209.05998	0.6
209.09653	0.4
210.06767	1.3
211.07571	1.5
212.08401	0.5
213.09106	2.3
215.07071	0.6
215.10739	1.1
219.08142	0.8
221.05968	1.8
222.06943	0.4
223.07494	0.7
224.08382	0.7
225.09094	3.2
227.07088	0.6
227.10760	1.4
229.08540	2.1
230.09323	0.5
231.08075	0.9
231.10156	0.9
235.07547	0.5
236.08347	0.4
237.09265	0.5
238.06290	0.4
239.10678	0.4
241.08647	0.9
242.09387	0.4
243.10242	1.3
245.09665	0.5
247.07605	0.6
251.10695	0.7
252.07710	0.8
253.08615	2.1
254.09698	0.4
255.10207	0.8
256.08850	0.4
257.09695	0.6
259.09665	1.3
261.09171	0.9
265.08612	0.9
267.10202	1.0
269.09613	0.6
273.08932	0.6
274.10239	0.6
275.10620	0.5
277.08716	0.6
277.12183	0.7
279.10257	1.0
283.09818	0.7
285.08652	0.6
285.11343	6.7
286.09601	0.6
287.13095	1.9
289.08563	0.6
289.12289	0.6
291.10193	1.5
291.13440	0.4
297.11462	0.8
299.13199	0.6
303.10114	1.3
305.11777	1.0
307.09549	0.7
311.12845	2.2
314.09387	0.4
315.10016	0.5
317.11758	1.5
319.09708	0.9
319.13309	0.8
321.11493	0.4
323.12958	1.1
329.11636	0.7
330.08932	0.4
333.11414	0.5
335.12909	1.8
337.14371	1.9
344.10110	0.4
347.12796	1.1
349.14319	3.5
351.16083	0.9
351.76102	0.4
353.13882	1.4
361.14426	1.0
365.13901	0.9
367.15372	3.7
377.13992	0.6
379.15448	3.6
383.14539	0.5
397.16510	3.5
407.14850	0.4
419.14926	0.5
431.14420	0.5
465.17114	0.6
469.16730	0.6
471.18405	0.6
473.19891	0.6
483.18338	1.1
495.17667	0.4
497.19583	1.4
501.19055	0.4
503.20932	0.6
509.19693	0.6
513.19476	0.5
514.20013	0.5
515.20685	2.2
527.21021	1.0
533.21613	0.5
545.22040	0.5
580.20923	0.5
581.22504	0.7
621.24854	2.6
633.25067	1.4
639.25336	0.6
651.25897	6.9
669.27057	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	669.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68128	0.1
58.06602	0.1
67.04277	0.2
71.51401	0.2
76.30504	0.1
85.02929	0.3
87.07394	0.1
97.02876	0.2
98.97623	0.3
105.07052	0.4
115.05472	1.7
117.05784	1.2
117.07025	0.1
130.06506	0.2
131.07310	0.2
132.08101	3.3
133.05284	0.2
133.06491	0.7
136.79918	0.1
142.06497	0.5
143.07330	0.3
146.05972	0.2
151.03908	0.3
157.12323	0.1
158.99689	0.2
159.06839	0.6
160.07591	100.0
161.07956	1.0
162.05501	0.2
163.03897	0.5
169.04945	0.2
175.12009	0.3
177.10246	16.8
178.10439	0.2
181.05016	0.2
185.01286	0.2
193.05054	0.2
193.31223	0.1
202.08565	0.2
203.02304	0.3
211.06178	0.2
219.01738	0.3
221.03227	0.2
235.05954	0.3
247.06097	0.2
261.02448	0.1
261.29861	0.1
272.64151	0.1
305.05789	0.2
307.08075	0.2
323.06503	0.3
324.81174	0.1
327.60553	0.1
331.10028	0.2
457.13397	0.2
571.15363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20059	0.8
57.03442	2.1
58.06605	1.2
61.02921	1.0
67.05508	2.3
69.03436	3.4
70.02692	4.2
70.06584	1.5
71.05007	1.0
72.08156	1.9
73.02914	1.2
76.77129	0.9
79.05484	2.9
81.03416	4.9
81.07040	2.4
84.08122	0.8
85.02908	5.8
86.09718	1.5
87.61773	0.8
91.05470	4.7
93.07066	3.1
95.04987	1.4
95.08597	1.4
97.02901	3.2
97.06529	2.3
98.20844	0.9
103.03962	1.0
105.07059	2.6
107.04955	2.2
107.08607	2.2
109.02890	4.3
109.10149	1.2
117.07066	1.2
119.04980	3.6
119.08575	1.2
121.06549	0.8
121.10157	1.3
127.03945	2.2
131.08597	0.8
135.04376	1.1
137.06049	2.2
145.06444	1.3
145.10120	1.1
147.04433	13.2
147.11633	1.3
151.03979	1.9
151.07549	2.9
152.07925	1.3
159.02861	0.9
161.05978	1.0
163.03926	1.6
165.05478	1.3
165.09135	6.5
167.07054	1.5
168.07378	1.2
172.57132	0.9
174.06676	1.4
175.03938	2.7
189.09119	3.5
190.09445	1.7
191.03401	2.1
201.02003	1.3
201.08961	1.3
205.08647	2.2
207.06468	4.2
211.04111	1.1
215.03412	1.6
219.02788	1.2
219.10222	1.6
239.03464	0.9
241.05031	2.9
250.11803	1.1
257.08392	0.9
259.05969	6.8
263.06927	1.1
264.19556	1.1
265.10837	1.1
265.19797	0.8
267.02911	2.6
277.04855	0.9
279.06531	3.6
280.06863	0.9
281.04678	0.9
282.20645	5.9
283.21017	2.5
285.03897	5.9
286.69318	1.0
290.05740	1.1
291.06448	1.5
293.04758	1.4
295.05951	2.0
297.04053	1.4
300.21713	5.3
301.21973	1.7
305.08121	2.4
307.06021	5.2
309.04178	1.2
309.07443	1.6
311.05487	2.7
315.06644	1.0
317.04507	1.7
318.05304	2.3
319.05988	4.2
320.03171	2.0
321.03946	7.3
322.04660	3.2
323.05475	2.1
329.07260	1.5
330.07672	0.9
331.06122	1.1
332.03214	3.0
333.03897	4.4
333.07562	6.5
335.02036	1.3
335.05487	33.7
336.06232	5.5
337.07001	6.0
339.04657	1.0
341.06754	1.4
343.05768	2.0
345.03906	4.4
345.09775	11.2
346.04620	6.3
347.05505	10.5
347.09216	0.9
349.03513	2.1
349.07281	1.0
350.04153	1.4
351.04956	5.6
351.08594	1.4
353.02780	1.5
353.06641	16.1
355.08093	1.2
357.06339	1.8
358.05188	1.4
359.05478	7.1
360.06345	2.3
361.07059	14.9
363.05060	5.5
365.06494	11.0
367.04324	1.3
367.15707	0.9
369.06140	11.1
371.07758	14.7
373.07071	3.2
375.04929	11.9
375.08685	1.0
377.06598	3.7
379.08130	17.2
381.06134	10.7
383.07751	8.9
385.06830	3.6
386.16956	1.4
387.05856	3.4
389.06537	6.2
391.08035	1.5
393.05966	30.9
395.07513	3.1
397.09344	22.1
399.07153	55.1
401.08884	5.4
403.08249	4.1
405.06219	6.4
407.07578	6.3
411.07092	37.9
413.06326	3.0
415.07254	1.1
417.05688	4.6
419.07678	3.8
421.09213	4.0
423.07132	17.6
425.08743	7.0
429.08231	100.0
430.08112	1.6
431.07520	5.0
435.07199	10.0
437.08783	6.9
441.06021	1.9
447.07175	3.2
449.08688	6.1
451.06683	1.7
453.08215	69.8
459.07181	4.4
461.08578	2.0
465.08215	20.2
467.09644	3.5
471.07742	1.1
473.08371	1.2
477.08249	35.9
483.09421	5.9
489.07892	4.1
491.09631	1.3
495.09219	33.0
501.08267	7.1
507.09097	1.1
513.10327	19.3
515.09949	1.0
519.09222	13.4
531.11298	19.5
533.10693	1.8
537.10504	4.5
543.09320	3.2
549.10339	4.0
555.11267	3.0
561.10388	6.8
567.11633	2.5
579.11188	3.9
585.12152	1.3
597.11914	5.1
615.13660	4.6
633.14691	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	668.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.8
53.23380	0.7
53.23680	0.6
55.01865	1.6
55.05516	6.6
57.03188	1.2
57.03443	11.7
59.04998	2.8
61.02922	1.1
62.17157	0.7
65.03941	1.8
67.05511	58.5
69.03426	2.3
69.07063	3.0
70.06600	1.7
71.04992	2.7
71.43761	0.7
71.52719	1.3
79.05498	8.1
79.58578	0.7
81.03426	48.1
81.07063	13.2
83.04980	2.4
83.08625	13.5
85.02905	1.9
85.06549	1.8
91.03977	0.8
91.05489	10.3
93.07040	7.4
95.04987	15.4
95.08606	5.3
97.02901	1.7
97.06525	2.2
97.10184	1.9
105.07035	7.6
107.04974	3.7
107.08604	4.0
109.06525	3.1
109.10165	61.8
109.86275	0.8
110.10469	0.7
111.08087	6.5
115.05395	0.9
116.51408	0.8
117.07013	1.2
119.04953	0.7
119.08600	10.0
121.06542	2.7
121.10156	3.3
123.08098	1.1
125.09649	1.3
129.07027	4.7
131.08553	5.1
133.06496	2.5
133.10146	2.9
135.08080	1.0
137.05977	0.9
137.09615	4.3
138.97206	0.8
145.06560	0.8
145.10123	1.9
147.08031	1.9
147.11711	4.2
149.06012	0.9
149.09616	2.8
155.10687	4.9
157.10150	5.8
163.03966	1.3
163.11220	1.1
173.11761	17.3
173.13190	1.2
175.11208	5.4
185.13235	0.9
193.12263	18.6
205.12184	1.1
207.21695	0.8
211.13286	1.4
229.14371	90.5
230.14786	1.2
249.14815	1.3
267.15948	86.6
268.16174	1.1
301.14227	0.9
329.21127	2.1
347.22278	1.5
403.24759	9.3
421.25888	100.0
422.26147	1.8
425.39407	0.8
463.26865	1.8
505.88385	0.8
517.28174	1.4
529.28015	1.5
547.28998	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.9
55.01867	3.8
55.05495	2.4
57.03434	3.1
69.03439	14.3
69.16190	18.1
70.06593	12.7
71.04993	1.8
72.08153	2.3
73.02932	4.2
79.05494	2.8
81.03420	22.9
81.07105	2.2
85.02913	33.1
87.00826	11.8
91.05449	3.3
93.07054	2.1
97.02899	10.4
99.04488	6.9
103.05461	2.5
105.01876	7.6
109.02888	20.4
110.03676	3.7
111.52231	1.8
115.05464	2.1
116.07083	18.3
117.01882	2.5
117.06992	2.7
121.10162	2.3
125.06003	7.9
127.03930	25.4
128.06267	3.4
129.07031	11.8
131.04935	4.9
135.04416	15.8
139.07584	7.5
143.04892	4.6
145.04948	6.2
145.06563	8.5
145.26476	2.1
147.04497	2.1
149.02396	3.4
151.03911	4.0
152.04745	7.3
157.06525	20.9
159.02893	7.9
159.04250	3.1
161.05989	3.3
167.07054	81.7
171.04457	8.8
173.05991	17.1
175.07564	5.3
177.05559	4.2
181.04964	63.5
185.06033	9.0
186.06795	2.9
187.07588	6.0
189.05479	42.3
191.07022	2.7
196.57315	2.3
201.03853	2.1
201.05453	12.7
203.07057	11.0
213.03770	2.9
213.05536	5.2
219.06546	8.6
221.08092	2.8
225.07263	2.1
231.04475	2.1
231.06586	33.8
233.08122	4.6
235.09634	15.0
249.07596	100.0
250.86566	1.7
251.09177	4.3
263.09207	18.9
265.06747	2.0
281.10257	14.2
289.83942	2.1
323.09143	2.1
355.11633	3.8
367.11722	9.5
385.12985	20.8
387.14423	9.7
403.13895	22.4
427.95270	1.9
599.48309	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	666.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01881	2.0
55.05516	17.3
55.96708	1.3
57.03439	6.8
57.07067	4.2
65.03955	3.3
66.75156	1.4
67.05513	67.4
69.07077	22.0
69.86166	6.8
70.00296	1.3
71.05003	2.5
71.08630	6.1
77.03938	1.5
78.61714	1.3
79.05074	2.0
79.05505	31.0
81.03413	2.6
81.07065	66.2
81.44087	1.4
83.04985	8.7
83.08624	13.2
85.06544	3.1
91.05495	25.2
93.07053	39.7
95.04988	7.4
95.08623	38.3
97.06546	6.6
97.10189	5.1
99.08105	3.7
105.07050	14.0
107.05013	1.6
107.08601	17.7
109.06575	2.0
109.10163	12.7
111.08083	3.7
117.07034	6.0
119.08604	9.2
121.10157	10.2
122.49388	1.4
123.11726	5.8
125.09666	1.4
130.08679	2.3
131.08588	6.0
133.10141	10.0
135.11732	6.5
137.13214	2.0
145.10207	2.6
147.11684	5.7
149.13298	7.4
151.11211	6.1
157.10033	2.3
159.11691	5.1
161.13303	5.1
163.11208	1.4
175.14812	1.9
177.12849	2.3
187.14841	1.3
195.13841	6.3
227.12834	2.3
263.23782	2.4
269.17462	12.2
277.21576	6.4
291.19528	2.7
328.08246	2.4
337.27386	33.7
341.27002	2.0
351.25293	9.7
491.37381	2.9
498.27103	1.8
515.40381	1.5
531.40503	100.0
532.41217	1.6
554.33759	2.3
610.39880	2.7
613.48267	6.8
631.48907	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	666.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01859	9.3
55.05513	22.0
57.03432	3.8
57.07085	5.0
65.03944	6.3
67.05518	60.5
69.03444	21.6
69.07089	22.4
69.07399	5.5
71.04974	12.9
71.52274	5.9
72.08128	4.2
74.09724	7.9
79.05071	4.7
79.05501	45.7
79.56820	4.2
81.03432	35.1
81.06595	5.0
81.07065	80.0
83.04989	12.8
83.08617	16.3
85.02914	12.6
85.06537	13.4
86.09738	18.3
91.05505	45.7
93.07057	69.0
95.04985	44.9
95.08617	59.1
97.02889	10.1
97.06562	10.0
99.04452	16.8
104.10732	4.0
105.07049	58.9
107.04987	8.3
107.08618	61.5
109.02884	8.4
109.05794	7.0
109.06533	100.0
109.10172	44.1
111.04433	7.7
111.08077	17.5
117.07031	20.5
119.08597	56.2
121.06471	5.6
121.10169	39.0
123.04445	4.4
123.08067	14.1
123.11722	18.7
125.00005	11.6
125.09663	4.9
127.03931	6.8
127.80953	3.6
129.07010	12.1
131.08595	44.3
133.10152	63.5
135.08069	25.0
135.11708	33.4
141.06987	7.3
143.08534	14.5
145.10124	34.2
147.11736	20.4
149.09637	10.3
149.13280	27.0
151.11209	10.3
153.09117	60.5
156.19684	3.9
157.10129	7.4
158.10912	10.1
159.11687	14.6
161.09645	5.9
161.13234	10.2
163.14796	14.4
165.12743	4.2
167.10632	5.4
167.62450	4.6
169.10149	7.0
171.11664	10.6
173.13295	76.9
175.14848	5.5
183.11705	12.3
184.07404	63.7
185.13242	4.5
187.11180	4.5
187.14847	7.4
191.12686	6.8
191.14326	94.6
195.11668	3.8
199.11339	3.9
199.14868	7.3
209.13448	5.6
209.15375	95.5
209.17390	5.9
227.16484	14.0
252.48611	4.0
259.20560	6.1
275.23660	5.2
303.23166	12.5
315.23114	6.4
319.22595	6.0
327.22827	6.5
341.24634	4.9
351.23282	6.9
363.34210	4.0
369.24292	33.3
387.25256	23.8
405.26587	26.9
423.27530	8.3
666.43567	13.0
691.84290	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	665.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.5
55.01881	1.2
55.05513	0.9
55.09444	0.8
57.03447	2.5
59.47929	0.9
60.36578	0.8
61.02931	3.0
67.05497	0.8
69.03438	11.9
69.67176	0.9
69.67521	5.8
70.06599	4.8
70.99409	0.8
71.05003	5.1
73.02915	3.5
81.02995	1.2
81.03430	17.7
81.07047	1.3
83.04973	0.9
84.08152	11.3
85.02914	69.0
86.09709	2.5
87.04475	1.6
91.03978	0.8
94.04171	1.6
95.04970	1.7
97.02905	34.8
99.04467	43.2
103.03953	83.3
105.07009	0.9
107.04934	0.9
107.08625	1.0
109.02891	21.0
109.06557	1.3
111.04458	1.8
115.03944	2.0
115.05460	4.6
116.07101	1.9
117.06976	1.3
117.65775	1.0
119.05064	0.8
119.23135	1.0
121.08575	1.1
122.03645	2.6
125.06012	1.6
127.03931	100.0
128.06238	1.6
129.07001	4.2
129.10260	1.7
130.08694	1.1
131.04936	3.9
137.05992	69.7
138.06303	0.9
143.04959	6.6
144.05659	1.4
145.04976	56.6
147.04407	1.0
149.06046	1.4
151.03957	1.1
151.07607	1.8
153.05562	1.4
157.06526	3.7
160.05203	9.6
161.05981	2.4
163.03984	1.5
163.06050	31.9
163.07512	2.5
165.05431	1.2
167.07068	1.4
169.02060	0.8
169.04909	1.4
172.05220	2.8
173.05962	1.0
174.06693	2.1
175.07564	69.2
177.05482	1.9
177.09041	1.0
179.07004	1.0
187.06018	3.5
187.07550	27.1
189.09117	6.4
199.07532	2.3
201.09122	1.2
203.08704	1.4
205.06992	3.1
205.08640	12.0
205.83846	0.8
211.07530	2.3
217.08669	4.1
219.08025	1.2
220.08855	1.0
231.08083	1.9
235.07541	1.7
235.09663	11.8
239.07030	1.4
240.07956	1.1
247.07635	1.8
248.08475	2.8
255.06552	1.0
259.07651	1.6
263.10663	3.0
270.08881	2.0
271.07886	3.3
271.09787	4.4
279.10107	2.1
283.09641	2.6
287.07907	1.6
289.09235	3.0
291.10181	7.6
305.08652	1.0
307.10233	3.3
311.12671	4.9
321.95020	0.9
323.12766	9.2
341.13840	12.4
399.32071	2.0
417.33188	2.9
609.82153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
53.21810	1.8
55.01878	4.2
55.05277	2.4
55.05520	30.0
57.03456	13.1
57.07074	7.0
59.11621	2.2
65.03958	3.4
67.05518	96.8
69.03423	2.4
69.07085	37.3
69.61584	13.3
70.92518	2.3
71.04993	2.6
76.48606	1.8
78.27834	2.2
79.05070	3.8
79.05505	54.6
81.03421	4.2
81.07072	100.0
83.04975	8.4
83.08641	20.0
85.06554	3.9
87.04460	2.6
91.05502	46.5
93.07066	49.5
95.04983	6.2
95.08627	60.8
97.06554	10.2
97.10181	9.7
98.98444	2.4
105.07046	32.3
107.08610	34.0
109.06522	4.6
109.10187	24.0
111.08083	4.4
113.09644	2.5
117.07031	11.4
119.08616	26.8
119.71024	2.4
121.06567	3.1
121.10172	20.4
123.11736	10.7
125.09624	4.2
129.06990	6.4
131.08583	17.0
133.10182	23.6
135.08044	3.5
135.11723	15.3
137.09569	2.9
137.13258	2.9
139.11168	2.6
143.08569	4.6
145.10135	10.0
147.11687	13.9
149.09592	5.5
149.13271	9.5
159.11703	11.3
161.13263	7.3
163.11241	4.1
165.12852	2.5
171.11682	5.0
173.13232	4.1
175.14905	2.8
185.13298	3.8
195.13788	4.7
197.42172	2.1
217.15921	2.4
227.12711	3.4
229.14445	4.8
239.18066	2.2
245.22751	2.7
255.15952	9.5
257.19003	7.1
259.20450	2.3
263.23682	3.5
269.17493	13.3
273.09695	2.1
275.20065	26.0
277.21725	3.2
309.20676	3.0
327.07925	3.1
328.08160	3.9
337.27420	80.9
349.23834	19.8
351.25320	3.1
353.26715	4.7
367.24728	2.4
491.37430	5.3
496.26361	3.4
497.40274	2.3
517.39020	15.4
531.40509	73.2
571.43695	9.8
611.46875	15.2
629.47174	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	664.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01858	1.2
55.05512	6.6
57.03422	3.9
57.07080	8.5
59.04982	2.3
67.05508	30.1
69.03418	4.8
69.07061	4.3
71.04977	3.9
71.08625	4.9
71.12886	2.4
79.05494	10.4
81.03434	6.2
81.07063	16.8
83.04998	6.5
83.08630	9.8
85.02898	7.8
85.06554	2.0
85.10172	3.0
87.04504	5.3
87.04982	1.0
90.05518	2.2
91.05485	10.0
93.07046	10.2
95.04967	16.7
95.08610	13.1
97.02872	2.8
97.06526	2.4
97.10139	1.7
99.04462	8.5
100.19831	1.1
103.82224	1.0
105.07025	7.8
107.08601	47.3
109.02879	1.5
109.06519	7.5
109.10162	23.7
109.10867	1.0
111.04427	2.2
111.08073	2.4
113.05970	1.7
113.22680	1.0
116.07079	1.7
117.07014	4.0
119.08591	7.2
121.06512	1.8
121.10152	12.1
123.04441	1.3
123.08073	100.0
123.11686	9.5
125.05968	3.2
125.09632	28.5
127.03905	2.2
129.06993	1.4
131.08595	7.9
133.10112	4.0
135.08055	2.1
135.11699	1.8
137.09628	3.8
139.11186	4.1
145.10081	3.3
147.08107	1.7
147.11690	4.1
149.09630	39.5
149.13278	3.0
151.07545	4.7
155.10681	1.5
157.10167	1.5
159.11707	2.1
161.09547	1.5
161.13220	1.5
165.09105	4.0
165.12724	4.6
167.10674	13.8
171.11713	2.5
173.09760	1.4
173.11722	5.5
173.13127	1.9
177.09062	1.4
177.12744	1.3
183.11810	1.1
183.13771	4.6
185.13312	1.4
189.12761	7.0
191.07010	1.7
191.10670	3.9
195.13780	1.2
198.10516	1.1
201.12631	1.1
207.13808	14.9
223.13139	1.3
225.14870	88.1
229.14357	29.1
231.13763	1.6
233.11729	1.4
233.81520	1.2
235.13280	8.9
237.14865	3.2
249.14864	16.1
261.14850	2.5
261.22253	1.6
267.16010	5.8
279.16025	2.7
291.15851	6.7
292.21130	1.2
313.27374	24.0
315.15894	6.7
333.16971	3.7
351.18118	1.5
351.23059	1.1
369.24194	1.6
387.25238	1.7
405.26364	1.5
467.37405	19.7
546.39081	1.3
611.39020	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	664.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.4
57.03444	10.1
57.07085	21.2
59.04988	2.6
61.02935	4.2
61.03191	0.9
67.05511	57.3
69.07071	5.2
70.15676	2.6
70.16069	1.3
71.04977	2.8
71.08641	18.0
73.02915	0.9
79.05492	2.4
81.07072	15.4
83.08631	9.8
85.02909	4.2
85.06564	1.8
85.09743	0.7
85.10192	8.9
89.06018	1.4
91.03951	2.3
91.05493	4.1
93.07063	4.1
94.70694	0.7
95.08615	12.3
97.02878	2.2
97.10184	3.2
105.07060	1.2
107.08598	1.5
109.10168	64.2
111.08069	2.7
117.09184	0.8
119.08628	3.8
123.11700	2.1
137.09636	4.0
155.10649	6.1
173.11765	13.9
179.14407	1.0
197.98087	0.7
229.14378	100.0
239.23755	1.4
257.24747	1.8
286.48706	0.8
313.27396	82.1
314.27768	0.8
391.88196	0.8
467.37390	66.5
468.37366	1.7
604.94763	0.8
664.40607	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	664.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04908	4.3
55.05519	37.9
55.74625	4.0
57.03436	16.3
57.07063	20.1
65.03922	5.0
67.05183	7.1
67.05513	100.0
69.07080	35.9
69.57056	29.4
71.08591	6.2
77.89461	4.9
79.05496	51.1
81.03426	6.1
81.07070	93.2
83.08618	17.7
85.06557	5.5
87.04480	6.6
87.55359	4.2
91.05047	4.6
91.05495	48.0
93.07052	55.8
94.07628	4.9
95.04948	8.8
95.08051	7.6
95.08611	70.3
97.06563	6.8
97.10162	14.1
105.07047	48.6
107.08610	45.8
109.06490	5.0
109.10173	32.3
117.07027	25.9
119.08601	36.1
121.10159	23.7
123.11687	13.0
125.09646	7.4
129.07007	6.6
130.24583	4.0
131.08572	28.2
133.10136	27.3
135.08080	5.1
135.11694	12.4
141.07007	6.0
143.08516	13.5
145.10123	30.0
147.11674	18.5
149.13312	8.9
157.10179	9.5
159.11722	21.6
161.13327	8.8
163.11214	6.7
169.10091	8.1
173.13274	9.2
175.14677	6.8
183.11691	7.0
185.13268	19.1
197.13245	6.1
201.16408	5.6
203.14340	4.5
203.18140	5.6
227.12752	16.5
233.49957	5.5
239.17998	13.3
257.18976	23.6
275.20135	41.6
327.07877	10.5
328.08450	6.8
331.22702	7.8
335.25958	10.4
337.27444	82.6
349.23804	31.1
384.14578	7.4
385.52341	4.4
440.20490	8.2
496.26788	6.6
521.37769	5.6
529.38684	8.3
552.32819	16.9
585.42426	4.5
608.38953	12.8
611.46924	52.0
629.47406	7.9
664.46057	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	663.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
57.07087	50.2
57.07344	2.3
57.07480	1.5
68.76498	0.5
70.84966	1.0
70.85313	0.6
73.07590	0.4
77.03606	0.7
77.04000	0.9
77.62537	0.6
87.04454	1.0
91.05496	6.0
95.04948	0.8
105.07018	1.4
107.08603	0.7
119.08635	1.1
131.08560	0.6
133.10115	0.5
147.11687	7.2
150.83549	0.5
152.06229	0.7
153.07057	2.6
171.08029	0.7
215.02589	0.6
215.92639	0.4
216.82272	0.4
227.08495	0.7
228.09508	0.6
229.10185	1.0
233.03586	5.0
251.04727	14.7
307.10999	2.0
327.07858	100.0
328.07855	0.8
383.14127	69.6
384.14667	0.8
392.55142	0.6
408.81171	0.5
439.20419	71.3
440.20786	1.6
495.26666	59.8
496.27029	1.2
551.32941	76.5
552.33374	1.4
566.41437	0.6
607.39185	72.3
608.39612	1.3
663.45428	21.6
664.46124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.9
55.05505	22.0
57.07079	11.6
67.05508	59.1
69.07072	15.1
71.08639	35.4
71.52502	10.0
79.05500	52.0
81.07053	64.7
83.04973	9.5
83.08633	13.6
87.04476	88.5
89.50888	6.4
91.05477	54.6
93.07056	76.8
95.04984	9.1
95.08622	49.5
97.06555	7.9
99.08112	20.0
100.11285	11.1
105.07048	50.8
107.08622	33.0
109.10172	15.9
110.49269	6.3
116.07090	11.7
117.07030	8.3
119.08590	29.4
121.06468	7.7
121.10115	34.7
130.08672	5.9
131.08549	19.0
133.10133	30.1
135.11685	29.9
145.10219	15.1
147.11719	17.0
149.13246	9.9
151.11238	8.8
157.10158	8.7
159.11812	11.0
161.13309	22.8
163.11221	6.6
173.13223	5.8
179.14319	76.4
185.13277	6.6
187.15019	6.3
197.85159	5.5
238.98250	6.8
241.19461	17.7
259.20636	19.9
277.21680	58.5
293.21152	7.4
315.23300	9.0
333.24234	58.5
335.25876	10.7
351.25327	40.5
609.45154	100.0
644.46106	11.4
656.87164	7.2
662.45288	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	662.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
53.69629	1.9
55.01870	4.1
55.05270	3.0
55.05515	36.4
57.03443	14.4
57.07067	8.2
65.03927	4.1
67.05511	100.0
69.07072	33.1
69.76395	10.1
71.04996	4.6
71.08624	5.3
79.05499	73.3
81.03441	2.1
81.07064	87.1
83.04977	5.2
83.08627	18.7
85.06543	5.5
87.04475	26.2
91.05487	56.0
93.07054	70.1
95.04951	9.9
95.08613	60.5
97.06521	7.2
97.10177	17.9
99.08107	6.7
105.07047	47.8
107.04948	7.1
107.08599	48.3
109.06522	7.9
109.10165	33.1
109.40099	1.8
117.07038	17.7
119.08586	36.9
121.06488	4.4
121.10156	33.8
123.08068	4.7
123.11716	6.2
125.09636	12.1
129.07005	7.1
131.08591	20.0
133.10139	27.1
135.08069	4.3
135.11696	16.4
137.09636	3.3
143.08589	5.5
145.10144	20.9
147.11684	18.6
149.09619	7.8
149.13257	7.0
151.11200	2.9
155.08475	3.1
157.10106	4.0
159.11719	16.8
161.13290	12.7
163.11162	6.7
163.14816	4.1
171.11673	5.9
173.11865	3.5
173.13261	8.3
175.14743	3.5
177.12735	4.3
179.14333	10.6
183.11755	2.9
185.13194	5.3
187.11212	2.0
187.14828	3.8
189.11214	4.9
189.12767	2.7
197.13275	3.2
199.14719	2.2
215.17957	1.8
227.12790	24.9
229.14336	7.3
239.17958	2.8
243.21220	2.3
257.18887	10.1
261.22141	13.7
267.15903	5.2
275.20084	37.6
277.21454	9.2
277.86383	2.1
293.21182	5.0
333.24289	3.3
335.25836	74.7
349.23773	36.5
351.25323	8.6
489.35928	25.6
505.35339	2.8
513.39703	2.8
515.37042	3.5
529.38525	5.9
545.38507	2.3
546.41870	2.6
609.45117	28.4
627.46509	17.7
662.45911	3.4
663.46832	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	660.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01869	0.3
55.05512	0.3
57.03444	0.4
61.02925	0.3
65.03959	0.4
67.05525	1.1
69.03437	1.4
69.07069	0.4
69.29925	0.5
69.30344	1.2
70.06599	3.0
71.05003	0.5
79.05478	0.4
81.03425	1.2
81.07065	1.2
82.06589	7.2
83.04976	1.0
84.08152	100.0
85.02912	1.6
85.06538	0.2
85.08500	0.4
86.09713	0.3
91.03957	0.2
91.05482	0.8
93.07066	0.8
95.04986	0.4
95.08623	0.4
97.02895	2.1
97.06541	0.6
99.04461	0.6
100.07629	3.2
103.05494	0.3
105.07045	1.4
107.05000	0.5
107.08611	0.4
109.02888	0.9
111.04462	1.6
115.05457	0.4
116.07109	0.6
117.07027	0.4
119.08582	0.4
121.06503	0.4
123.04497	0.4
127.03905	0.5
128.07092	15.0
130.08653	17.1
131.04930	0.5
133.02872	0.5
133.06496	1.0
133.10188	0.3
135.04451	0.5
136.05228	0.3
137.02359	0.8
137.05995	1.1
139.07536	0.3
145.06476	0.4
146.07280	0.3
147.04465	0.4
149.13319	0.3
150.56046	0.2
151.03912	4.8
151.07550	5.7
157.06546	0.4
158.07300	0.7
159.04460	0.7
159.08102	0.3
159.11688	0.4
161.06010	2.4
163.03967	0.6
167.03471	0.4
167.07060	0.3
173.06029	0.6
174.06798	1.3
175.03967	0.6
175.07611	0.5
177.05498	0.5
177.09148	0.5
177.12779	0.6
179.07178	0.2
187.07622	0.4
188.08430	0.6
189.05519	0.4
189.09132	2.1
193.08614	2.5
201.05498	0.6
201.09145	3.1
202.09874	1.1
203.10689	0.7
210.11229	1.1
219.10222	0.7
228.12286	1.7
231.10268	0.3
235.13176	0.3
238.10764	4.3
243.16028	0.4
249.11375	0.3
256.11832	17.2
259.09976	0.2
263.07303	0.3
269.17493	2.4
274.12881	39.9
275.13181	0.4
277.08664	0.6
290.09311	0.3
293.08237	0.5
293.11792	0.3
301.20297	0.6
306.08997	0.4
308.10602	0.5
319.09903	0.2
320.10452	0.3
321.11298	0.4
323.13062	0.2
339.12238	0.6
351.12231	0.7
369.13385	0.9
412.15967	1.5
445.24173	0.4
630.25598	0.5
636.60004	0.2
642.24994	0.5
660.26563	25.3
661.26398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
56.05019	1.9
60.04518	1.0
69.03433	0.7
69.43203	2.3
69.43608	1.4
70.02959	24.7
72.04527	0.6
73.72047	0.5
73.72533	0.5
74.02442	2.9
76.04010	8.2
80.05044	0.6
82.06567	1.4
83.04988	1.0
83.06099	2.7
84.04514	6.0
84.08132	0.5
85.02896	1.1
88.03988	2.3
93.03421	0.6
96.04504	1.2
98.20765	1.1
99.05581	6.7
101.06003	0.5
102.05499	0.5
103.05056	1.4
107.06084	1.0
108.04475	0.9
109.07638	2.8
110.06008	1.3
110.07191	0.6
112.03973	1.5
116.03465	3.9
117.06608	1.9
121.01128	2.4
124.03953	1.1
125.07100	1.6
126.05533	0.8
127.04967	1.3
128.06999	0.7
129.06601	3.6
129.78510	0.6
130.05013	4.2
131.04939	0.7
135.05574	0.8
136.03876	0.9
137.07095	2.3
145.06093	100.0
148.04767	0.6
149.00598	5.3
151.03935	0.7
153.06580	6.4
155.08180	3.6
158.02309	0.5
160.00642	2.2
161.00543	0.7
163.02139	1.9
163.03918	1.5
165.00099	2.0
167.01680	0.9
169.06061	1.5
171.07603	0.6
175.02072	0.7
179.01646	10.1
181.06117	1.7
183.07692	0.6
186.06290	0.5
187.05316	0.8
189.00064	0.9
191.01581	1.3
192.99574	2.3
193.03221	1.7
194.02707	7.6
195.01123	19.5
199.07140	11.0
207.01134	7.6
208.04282	2.5
209.02681	1.0
211.07172	13.6
218.02597	0.6
219.01137	3.9
236.03795	6.7
237.02199	1.7
238.08351	0.5
256.09323	0.7
257.07828	1.0
264.03271	33.2
274.10376	7.3
297.05383	1.9
322.03940	1.9
339.06277	4.2
347.07059	0.7
365.08139	2.0
393.07529	11.3
399.95712	0.5
405.07584	1.5
411.08850	0.7
423.08487	1.1
428.10236	1.8
468.10861	7.1
531.12769	8.7
585.13843	12.2
585.23132	0.7
660.17023	27.6
661.17505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
56.05019	1.9
60.04518	1.0
69.03433	0.7
69.43203	2.3
69.43608	1.4
70.02959	24.7
72.04527	0.6
73.72047	0.5
73.72533	0.5
74.02442	2.9
76.04010	8.2
80.05044	0.6
82.06567	1.4
83.04988	1.0
83.06099	2.7
84.04514	6.0
84.08132	0.5
85.02896	1.1
88.03988	2.3
93.03421	0.6
96.04504	1.2
98.20765	1.1
99.05581	6.7
101.06003	0.5
102.05499	0.5
103.05056	1.4
107.06084	1.0
108.04475	0.9
109.07638	2.8
110.06008	1.3
110.07191	0.6
112.03973	1.5
116.03465	3.9
117.06608	1.9
121.01128	2.4
124.03953	1.1
125.07100	1.6
126.05533	0.8
127.04967	1.3
128.06999	0.7
129.06601	3.6
129.78510	0.6
130.05013	4.2
131.04939	0.7
135.05574	0.8
136.03876	0.9
137.07095	2.3
145.06093	100.0
148.04767	0.6
149.00598	5.3
151.03935	0.7
153.06580	6.4
155.08180	3.6
158.02309	0.5
160.00642	2.2
161.00543	0.7
163.02139	1.9
163.03918	1.5
165.00099	2.0
167.01680	0.9
169.06061	1.5
171.07603	0.6
175.02072	0.7
179.01646	10.1
181.06117	1.7
183.07692	0.6
186.06290	0.5
187.05316	0.8
189.00064	0.9
191.01581	1.3
192.99574	2.3
193.03221	1.7
194.02707	7.6
195.01123	19.5
199.07140	11.0
207.01134	7.6
208.04282	2.5
209.02681	1.0
211.07172	13.6
218.02597	0.6
219.01137	3.9
236.03795	6.7
237.02199	1.7
238.08351	0.5
256.09323	0.7
257.07828	1.0
264.03271	33.2
274.10376	7.3
297.05383	1.9
322.03940	1.9
339.06277	4.2
347.07059	0.7
365.08139	2.0
393.07529	11.3
399.95712	0.5
405.07584	1.5
411.08850	0.7
423.08487	1.1
428.10236	1.8
468.10861	7.1
531.12769	8.7
585.13843	12.2
585.23132	0.7
660.17023	27.6
661.17505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17002	0.5
55.05507	1.1
56.13642	0.5
57.07082	6.8
58.06599	2.6
60.30367	0.5
61.02925	1.4
63.20721	0.5
65.03941	1.0
67.05517	1.4
67.96810	0.5
69.03442	1.0
69.07055	0.8
69.75606	0.9
69.76017	1.9
70.06597	17.8
71.05019	0.6
71.08636	2.8
72.08148	0.9
77.28238	0.7
79.05516	1.0
81.03415	1.1
81.07051	1.6
85.02914	1.9
85.10188	0.7
88.07635	22.1
88.23956	0.5
91.01007	0.5
91.03958	1.0
91.05512	0.9
93.07033	1.0
95.08627	1.3
97.02898	2.4
98.20915	0.7
102.09187	17.2
109.02920	0.7
121.10148	0.7
127.03951	1.2
131.04924	0.9
147.04401	0.4
149.02353	35.1
149.03282	1.6
161.88570	0.5
175.03998	1.8
177.05547	1.1
182.74551	0.5
193.04977	44.1
212.23747	0.9
219.06517	1.2
225.05374	0.8
237.07599	11.6
256.26370	44.9
261.22327	0.7
269.04568	1.7
273.14682	0.6
297.03989	1.4
300.28802	1.1
313.07135	1.7
335.25903	2.1
341.06552	9.3
343.08472	0.6
359.07602	6.3
375.27313	0.6
385.09195	19.0
385.14142	1.1
429.11816	26.0
617.39862	0.7
640.34528	1.1
658.35907	100.0
659.36169	3.2
683.92200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01874	3.3
55.05516	21.3
55.98643	3.0
57.03428	13.5
57.06841	2.9
57.07085	42.9
57.22719	3.0
67.05510	61.0
69.07074	26.4
69.40806	19.3
71.04984	6.4
71.08643	32.6
79.05490	24.1
81.03402	3.4
81.07066	60.3
83.04958	3.1
83.08623	22.5
85.10202	17.1
89.06036	18.0
91.05497	23.2
93.07047	28.4
95.08616	37.3
97.06506	5.7
97.10172	10.7
102.91422	3.2
105.07050	17.1
107.04933	3.9
107.08593	19.9
109.06508	7.4
109.10177	30.7
117.07034	6.3
119.08605	19.0
121.10144	15.5
123.11717	7.5
125.09620	6.4
129.07033	3.7
131.08559	12.7
133.08586	8.5
133.10100	11.3
145.10121	9.9
147.11629	8.2
149.09622	3.8
149.13264	9.1
153.61003	2.7
155.10629	3.3
159.08092	4.4
159.11690	6.2
161.13248	5.0
163.11163	3.0
169.10043	3.2
177.11244	4.2
189.11230	4.6
227.12764	16.9
229.14354	34.5
239.23781	4.4
269.17484	30.7
275.20114	25.3
289.18030	5.7
293.21124	6.0
313.23688	4.9
313.27390	100.0
349.23825	19.7
361.44727	3.0
367.24817	16.0
394.06094	3.4
459.27972	4.4
462.75943	2.9
467.37387	25.6
504.35422	2.8
507.40488	59.1
587.46674	22.2
605.47882	18.6
623.43542	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	658.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	5.9
58.06607	1.8
65.03928	0.8
68.04992	0.3
70.06599	14.9
70.25331	0.5
70.25677	1.0
71.08635	1.7
72.08150	0.7
84.00948	0.3
85.10183	0.8
88.07639	20.5
102.09190	15.2
105.03477	0.3
122.05819	0.3
131.04912	0.4
147.04431	0.4
149.02361	30.5
157.57751	0.3
168.16141	0.3
175.03958	1.1
177.05453	0.7
180.04256	0.3
191.07037	0.5
193.04982	40.2
212.23877	0.6
219.06564	1.3
219.30775	0.3
225.05505	0.9
235.73892	0.3
237.07607	10.8
251.72777	0.3
256.26379	40.1
257.26660	0.5
269.04462	1.1
297.04019	2.0
300.29141	0.5
313.07098	2.4
341.06595	9.2
343.08261	0.3
359.07629	5.7
385.09204	18.1
403.10864	0.3
429.11862	24.9
589.17413	0.3
640.34955	1.1
658.35919	100.0
659.36285	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	658.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
56.05049	0.6
58.06602	0.4
60.04530	1.2
65.36283	0.3
67.69934	0.3
69.03445	0.9
69.07073	7.6
70.06597	1.7
70.42976	0.7
71.04977	0.4
72.04526	0.9
79.05506	0.7
81.03418	2.2
81.07053	0.6
82.06574	1.5
83.04964	0.5
84.08152	0.9
85.02921	0.7
86.09712	97.5
87.10041	0.6
91.05489	1.1
93.07052	0.4
94.04176	0.7
95.04998	0.4
97.02898	1.6
97.06538	0.4
99.04467	0.3
105.07031	2.1
109.02888	9.4
109.06521	1.0
115.05480	1.0
119.04993	0.4
119.08596	0.5
121.06475	0.4
122.03668	1.7
127.03944	1.3
128.07086	7.0
128.10724	100.0
129.07016	0.9
129.11092	0.7
131.04945	0.8
132.05685	0.7
132.10233	2.5
133.06493	1.3
136.07693	0.3
137.05991	19.6
145.04979	0.8
147.04427	0.5
147.08032	0.5
149.05998	0.5
151.07607	0.5
155.05026	0.3
156.10208	37.4
157.10420	0.4
159.08069	1.0
161.05995	3.9
163.07538	0.6
165.09125	0.3
174.11269	4.7
175.07565	5.1
184.05165	0.5
187.07504	2.3
189.09073	0.3
190.07764	1.1
191.08592	2.5
199.07553	1.1
202.07718	0.6
203.06923	0.4
203.08588	1.2
217.08669	0.4
218.07199	0.8
219.08066	4.0
220.08803	0.8
221.09575	0.4
228.12213	0.6
231.08098	1.9
232.08739	0.5
233.11739	0.6
236.08350	0.7
246.13544	0.4
247.07492	1.5
248.08286	1.1
251.10690	5.4
258.13394	1.0
259.07480	1.3
260.08374	0.9
261.09122	0.5
263.10651	0.8
264.07739	0.5
276.07947	0.7
277.08545	0.4
279.10181	4.1
280.11014	0.7
282.13416	4.3
291.10266	2.2
292.10886	0.7
293.08057	0.4
300.14462	1.4
311.12817	9.3
318.15488	0.4
323.12830	2.8
341.13623	0.5
401.13754	2.1
419.14908	0.9
506.61307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.4
60.05646	1.3
67.05491	1.8
81.07074	1.0
83.08601	0.9
84.21461	0.9
91.05461	1.0
98.21548	2.2
116.36729	0.9
149.77730	1.0
164.10664	1.1
177.20383	0.9
182.09779	1.2
209.10776	1.4
223.12204	1.2
233.10628	1.2
237.13919	1.1
247.12367	1.5
249.13869	1.8
261.13702	1.4
273.13922	1.1
275.15387	1.2
276.15005	1.0
287.15384	1.0
300.14978	1.1
311.25967	2.1
318.16223	1.4
337.15491	1.2
346.19342	1.1
351.16245	1.3
352.18179	1.2
364.17639	1.5
365.17871	2.6
374.16684	1.2
376.17944	1.4
377.17899	2.1
378.18866	2.1
379.19235	3.2
380.20621	1.5
381.20963	1.6
391.19138	3.1
392.19940	3.1
393.16632	2.0
393.20935	2.6
395.18323	1.4
395.22794	1.2
405.20892	3.3
406.21793	1.8
407.18423	3.1
407.22473	3.2
408.19418	3.9
409.20154	5.1
419.18243	1.5
420.19601	1.1
421.19647	4.8
421.24905	1.2
422.20938	4.6
423.21884	14.7
433.20444	2.0
434.20801	1.1
435.21942	7.6
436.22311	3.1
437.23251	2.9
446.21326	1.4
446.38318	1.0
447.21930	1.9
449.23148	3.7
450.24478	2.1
451.20844	5.1
452.22015	0.9
453.23111	1.2
454.20175	3.8
461.23730	6.7
462.20724	3.2
463.21320	3.1
464.22723	1.2
465.22791	3.7
466.23737	1.7
467.24615	2.3
468.24908	2.9
477.23181	4.9
478.23480	3.2
479.25018	4.8
480.22253	1.7
481.22437	3.1
493.21713	5.8
494.27359	5.2
495.23468	12.7
496.24503	3.5
507.23727	3.0
508.24741	12.0
509.25735	9.0
510.26434	10.8
511.27310	11.0
521.25690	5.3
522.25909	3.2
523.23236	4.9
525.28571	1.8
526.28601	1.8
537.25098	14.4
538.26038	7.7
545.38422	1.2
551.22919	1.9
553.28204	7.1
555.26007	2.6
565.24579	2.5
570.28162	4.2
581.27679	18.4
582.27844	1.1
583.25659	5.0
593.23639	1.2
596.27454	1.7
597.27136	41.9
598.27875	4.7
607.25189	1.2
613.30280	70.9
625.26617	100.0
626.26740	1.8
657.29315	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	657.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
60.05634	1.0
62.24002	0.7
67.05499	0.9
69.07069	0.7
69.17302	0.7
69.25571	6.0
70.06567	0.6
78.35745	0.6
79.05495	0.8
80.41956	0.6
81.07050	0.9
88.61037	0.7
91.05459	0.8
93.07045	0.7
95.08634	1.1
95.09303	0.6
98.20726	1.2
107.08617	0.7
116.07099	1.1
132.08127	1.0
137.10825	0.6
137.96158	0.6
146.09691	0.9
152.47289	0.8
199.08760	0.8
209.10765	1.3
211.12346	0.8
221.10739	0.7
222.11281	0.6
233.10701	1.3
235.12277	0.7
237.13858	1.2
238.14592	0.8
247.12366	1.5
249.13914	1.6
258.11563	0.7
259.12381	0.9
261.14160	1.1
262.13409	0.7
265.13205	0.7
273.13977	1.1
275.15506	1.2
286.13641	1.0
288.15732	1.1
293.12930	0.7
304.14584	0.9
309.15262	0.6
314.16562	0.8
316.14584	1.0
318.16116	1.1
326.16577	1.0
337.15656	0.9
338.16586	1.7
340.18280	1.0
350.16458	1.1
352.17770	1.5
353.18832	0.8
354.19775	0.8
361.14865	0.7
363.16183	1.6
364.17731	1.0
365.18118	1.5
366.19144	1.9
367.19916	0.9
375.16498	1.4
376.17566	1.1
377.17862	3.7
378.19266	1.5
379.19687	4.1
380.20963	0.9
381.21048	0.9
389.18140	1.7
390.19485	1.2
391.19598	3.5
392.20755	1.4
393.17123	2.6
393.21130	1.9
394.17905	0.8
395.18289	0.9
395.22818	1.0
403.19772	0.9
405.16565	1.4
405.20844	2.9
406.21899	1.8
407.17740	3.2
407.22568	2.9
408.19370	3.7
409.20291	5.6
410.19281	0.7
419.18774	2.6
420.19409	1.5
421.19638	4.4
422.21149	3.5
423.21841	17.2
424.22592	0.9
431.18887	1.0
432.19092	0.7
433.20419	1.9
434.21820	0.9
435.22116	7.7
436.23221	3.0
437.24200	4.0
442.21381	1.0
446.21124	2.1
447.22516	1.3
449.23352	3.9
450.24088	2.3
451.20657	3.3
452.24078	0.9
453.23337	1.4
454.19931	3.5
455.24576	0.9
456.22910	1.3
461.23471	6.8
462.20071	1.9
463.21338	2.4
464.22372	1.0
465.23306	3.9
466.23386	1.4
467.24905	4.6
468.25394	2.3
469.26093	0.8
476.22128	1.2
477.23364	5.8
478.24045	2.4
479.24960	6.4
480.22363	1.2
481.22412	2.9
482.22510	1.1
491.20786	1.0
493.21664	5.4
494.26190	4.8
495.23724	12.1
496.24939	4.9
504.21222	0.9
505.22934	1.3
506.23773	0.9
507.23798	2.4
508.24847	12.9
509.25720	11.7
510.26483	11.4
511.27396	9.8
516.24908	1.2
519.24048	1.5
521.25732	3.9
522.25970	2.9
523.23315	4.8
525.28650	1.4
526.29010	1.3
537.25079	16.8
538.25787	7.9
545.38513	1.3
549.24799	1.0
551.22852	1.9
553.28723	6.5
555.26062	2.0
556.24268	0.9
565.24408	3.5
566.25092	1.3
570.28143	3.5
581.27728	14.7
582.24646	1.2
583.25134	5.0
595.29211	1.0
596.27209	1.9
597.27179	39.9
598.27625	5.3
607.25519	1.3
613.30261	67.1
614.30493	1.2
625.26593	100.0
626.27075	1.9
657.29077	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	657.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57800	1.3
67.05495	1.4
68.06524	1.4
87.56215	1.3
92.06075	1.5
94.51262	1.4
98.21545	2.8
137.53232	1.1
139.71501	1.5
160.83333	1.3
166.43919	1.3
403.19196	1.5
412.17438	1.5
427.19916	1.7
433.12173	1.4
441.18927	4.8
455.20477	1.7
463.17233	2.0
475.21506	1.9
477.18143	1.6
487.21252	2.4
493.18265	1.9
501.22864	2.2
506.18945	2.7
519.19543	6.0
523.19421	3.9
533.17505	3.6
537.20526	5.1
551.22321	2.4
569.23395	3.6
579.21667	21.3
607.20892	7.6
621.27435	3.2
625.22455	3.3
639.23712	40.3
657.24829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	1.6
81.71880	1.0
83.08636	0.9
95.08612	1.0
95.33332	0.9
107.08591	0.9
108.08298	1.0
356.67834	1.1
366.71780	1.2
405.20959	1.9
411.16394	1.1
412.17294	1.6
413.17905	2.2
426.18637	2.3
427.19266	3.1
428.20352	1.4
429.20984	1.5
433.23883	1.8
441.19019	4.1
445.19705	1.1
447.13785	1.7
448.14813	1.9
449.15359	2.0
454.18109	1.3
455.19699	1.5
462.16275	1.3
463.16913	2.2
475.21530	1.2
477.18274	3.8
478.19421	2.7
483.22086	2.3
484.22437	1.2
485.23453	2.0
487.21500	1.4
491.21259	2.5
492.21054	2.3
493.17975	5.6
501.23071	1.7
504.17874	1.2
505.18146	1.9
506.18582	3.2
509.17633	1.5
510.18372	1.3
519.19672	9.6
520.17615	1.5
520.19025	1.5
521.17493	1.9
533.17749	2.3
537.20367	3.4
543.24683	1.3
545.41827	1.2
547.19305	2.7
548.19812	1.2
551.22119	3.9
563.22272	2.2
569.23462	1.7
571.23529	2.3
572.23981	1.4
579.12573	2.1
579.21667	39.1
607.21082	12.8
639.23767	100.0
640.23895	3.1
657.24860	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01866	4.1
55.05519	6.6
57.03428	4.1
57.07084	17.4
61.42584	1.2
64.81836	1.3
67.05514	12.8
68.05029	10.0
69.07079	7.4
70.06602	47.0
71.04981	2.8
71.08642	10.0
71.52705	1.3
79.05501	7.1
81.03423	13.7
81.07069	14.3
83.04997	10.5
83.08632	9.2
83.78758	1.2
84.08131	2.1
85.10181	8.5
86.06096	1.6
87.04479	2.3
89.05992	1.7
91.05488	6.1
93.07037	4.4
95.04964	4.7
95.08618	11.3
96.08134	2.3
97.02837	1.2
97.06546	19.8
97.10156	2.8
105.07013	3.9
107.04966	2.0
107.08585	4.4
108.08128	1.3
109.06522	1.6
109.10171	8.1
110.09692	1.6
111.08075	1.4
114.05538	7.6
116.07106	100.0
117.07027	1.6
119.08583	3.7
121.06483	2.9
121.10156	2.2
122.09648	1.2
123.11749	1.8
125.09621	1.6
129.07028	1.9
131.08609	2.6
133.10106	1.4
136.06224	1.2
140.07019	1.3
142.08617	3.2
147.08121	1.4
147.11674	2.7
149.09642	2.4
154.08682	2.6
157.10159	1.6
170.08159	1.5
175.01485	1.7
175.11159	1.5
181.02609	3.4
193.12250	5.7
195.13800	4.7
200.81744	1.7
236.16498	12.0
247.64232	1.1
254.17490	12.3
262.17792	1.9
267.15985	18.7
269.17499	1.7
280.19107	11.2
308.18530	4.4
310.20087	2.3
313.12128	1.8
313.27393	22.1
314.11987	1.1
326.19669	1.5
328.21188	2.9
328.50507	1.4
338.23352	1.8
382.22189	1.5
384.11371	1.2
505.38971	13.9
515.48022	1.4
550.44647	2.2
566.44202	13.9
576.45923	3.5
594.43756	16.9
600.25330	4.4
610.46667	4.1
612.44275	3.1
620.45142	22.9
638.46399	80.6
656.31836	2.6
656.42053	4.6
657.29102	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.3
54.25488	2.9
55.01880	4.4
55.05511	21.7
57.03440	16.2
57.07078	49.9
63.46739	3.2
67.05173	6.2
67.05509	70.3
69.06727	4.7
69.07069	52.5
70.91614	7.2
71.04998	22.7
71.08630	36.5
73.10961	3.1
79.05494	51.9
81.03413	7.1
81.07063	64.6
81.93276	3.4
83.04974	11.6
83.08627	16.4
85.06548	5.6
85.10191	17.4
91.05481	35.7
93.07049	37.1
95.04969	11.4
95.08608	52.8
97.06538	100.0
97.10162	6.8
99.08151	4.3
105.04482	3.8
105.07043	27.3
105.89616	3.5
107.04908	4.8
107.08594	23.0
109.06511	12.3
109.10155	18.4
115.07577	42.4
117.07006	12.0
119.08582	13.4
121.06505	6.1
121.10150	12.4
123.08033	4.0
123.11684	5.2
129.07036	6.3
131.08545	18.8
133.10121	17.7
135.08029	7.6
135.11723	7.9
143.08513	5.4
145.10138	9.2
147.11699	5.9
149.09627	4.0
149.13225	7.7
154.20758	3.6
157.10167	4.6
159.11700	11.7
161.09627	3.7
171.11774	5.9
173.09615	4.4
177.12776	7.1
195.13820	5.3
213.75772	3.1
217.15907	10.7
217.89531	3.1
233.15375	5.1
239.23643	4.7
244.09927	3.6
245.19067	4.9
253.14261	6.2
255.17546	4.7
269.17450	8.5
273.18558	33.9
291.19394	18.4
312.97610	3.6
313.27356	80.4
323.18491	4.1
341.26968	9.5
347.22141	10.5
365.23007	7.9
383.31406	4.1
493.38470	4.7
507.40479	73.1
535.39893	9.0
603.45886	14.9
621.46735	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	656.429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93618	0.5
55.05507	2.4
57.03441	1.4
63.04915	0.6
63.94032	0.6
67.05515	4.7
69.07076	3.8
71.52302	1.0
79.05489	2.4
81.07063	5.2
82.06578	1.6
83.08612	2.0
91.05468	1.8
93.07059	4.8
94.06561	1.0
95.08614	4.9
96.08143	1.1
98.98495	0.8
105.07039	1.1
106.06560	3.1
106.46980	0.7
107.07331	5.0
107.08599	2.8
108.08126	5.7
109.10148	1.5
110.09689	0.9
119.08565	1.1
121.08888	1.1
121.10146	1.0
121.96311	0.6
122.09638	1.4
124.11227	2.0
125.00031	1.1
133.10126	1.4
134.09650	5.9
135.10448	29.7
135.11533	1.8
136.11203	1.9
137.11974	1.2
148.11215	1.7
149.12013	2.7
150.12807	3.9
151.13545	0.7
152.14285	2.9
161.13234	1.0
167.09436	2.4
176.14436	0.8
178.15921	50.6
180.17487	11.8
196.16965	3.1
212.15523	0.6
222.09032	1.7
222.18559	5.4
240.19666	1.6
268.55038	0.6
276.13620	70.4
278.15161	2.6
320.16235	100.0
321.16623	0.8
337.27518	4.7
444.98343	0.6
454.60794	0.6
535.40112	0.6
594.39349	0.7
611.88098	0.7
612.40302	3.5
614.10693	0.6
638.42151	1.4
656.30920	1.0
656.42706	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	655.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.5
57.07073	1.9
67.05503	1.2
68.82719	0.5
69.48746	4.3
70.86211	0.6
71.04976	0.6
72.87930	0.7
79.05502	0.7
81.03429	1.0
81.07066	1.1
83.04987	6.1
91.05496	1.0
93.07055	1.3
95.08611	1.0
105.07033	1.2
107.04086	0.5
109.10151	1.3
109.96091	0.5
115.05470	1.1
116.07101	1.0
128.06303	0.9
129.06975	0.8
133.10103	0.9
135.04433	0.7
143.08557	0.7
147.11737	1.3
166.98885	0.6
175.01573	3.0
181.02654	4.7
227.04712	1.7
251.11542	0.5
293.71518	0.7
313.04199	0.6
313.11874	3.3
369.18301	1.0
459.22101	0.7
463.27084	0.8
543.19244	2.8
591.26611	0.9
599.25403	7.2
623.28461	2.6
637.26373	0.8
655.31934	4.6
655.41827	100.0
656.41943	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	655.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95616	0.7
55.01877	3.8
55.05499	2.0
57.20169	0.7
66.23843	0.8
67.05500	1.4
67.41286	0.7
68.99807	1.0
69.03426	2.3
69.07054	0.8
70.06579	1.0
71.48750	1.6
74.97073	0.6
79.05493	2.0
81.03425	13.1
81.07059	1.7
82.02122	0.8
83.04987	19.5
85.02937	0.8
91.05486	3.7
93.07037	1.7
95.04990	0.8
97.02879	1.8
103.05453	1.2
105.03388	0.8
105.07054	1.4
107.04946	4.3
108.05721	1.9
109.02845	2.1
111.04452	23.5
115.05455	2.6
117.06335	0.7
117.07001	4.2
118.04237	0.6
119.08520	0.8
121.06528	2.1
123.04425	0.9
125.02409	3.6
127.03924	1.0
128.06192	3.7
129.07031	6.6
131.04945	2.8
131.08563	1.7
135.04471	3.5
136.05199	3.0
137.05992	16.5
141.07010	1.0
143.04979	1.6
143.08617	1.1
144.05803	1.6
145.06503	10.4
146.07263	2.0
149.02409	1.0
151.07558	100.0
153.05515	1.1
155.03371	4.7
155.06120	1.3
157.06531	9.3
158.07315	3.6
159.04425	1.6
159.08018	3.4
160.05222	3.5
160.08830	1.7
161.06010	2.4
163.07558	1.6
165.05611	1.0
167.03418	2.0
169.06381	0.9
171.08066	2.9
172.08836	7.6
173.04585	1.2
173.06003	9.5
174.06761	8.2
175.03969	1.2
175.07541	9.0
176.08339	3.7
177.09134	5.5
179.03456	0.7
179.06976	1.0
181.06479	1.2
182.07248	1.0
185.06036	1.7
187.07542	6.9
188.08354	11.0
189.09128	50.7
190.09830	0.9
191.10713	4.6
195.08080	1.8
196.08852	5.2
197.05978	1.3
199.07573	1.8
200.08398	1.6
201.05334	0.8
201.09117	8.9
202.09898	8.2
203.07016	1.8
203.10683	22.1
204.07758	0.9
205.08569	3.9
211.07561	0.9
212.08405	1.4
213.09087	5.1
215.10728	1.5
216.07805	1.8
217.08617	4.7
219.10162	16.6
219.12250	1.2
223.09666	1.0
225.09177	1.0
226.09991	2.3
227.10730	5.5
231.10175	27.4
233.08110	3.0
235.09647	5.2
238.09958	0.9
239.10620	1.2
241.12366	1.6
243.10178	1.0
249.11258	26.8
255.10291	0.9
263.10654	1.1
270.12457	2.0
278.09457	0.9
281.11810	1.9
293.11404	1.0
295.09869	1.0
309.11298	4.3
325.10504	1.5
337.10663	2.6
339.12305	2.2
355.11801	4.2
357.13321	7.9
367.11819	1.2
385.12833	7.0
484.26773	0.7
655.30182	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
71.85508	0.2
75.04493	0.6
79.05513	0.3
81.07103	0.2
91.05469	0.2
93.07053	0.2
97.06539	0.5
98.21575	0.3
109.38370	0.2
116.07142	0.3
119.08585	0.2
183.04182	0.2
186.03418	0.2
215.86888	0.2
376.16888	0.3
377.17831	0.3
391.19458	1.1
392.20056	0.6
393.20947	0.7
403.19440	0.3
404.20294	0.3
405.16476	1.8
405.21362	0.7
406.17416	0.4
406.22275	0.3
407.17709	0.3
407.22458	4.1
408.22980	0.4
417.21118	0.2
418.17538	0.5
418.22430	0.3
419.18219	2.8
419.22873	0.7
420.18851	1.5
420.24130	0.4
421.19724	1.5
431.18787	0.5
432.19565	0.4
433.15613	0.5
433.20697	4.5
434.21133	4.7
434.26553	0.3
435.21899	8.8
436.22748	0.5
445.20282	0.3
446.21320	0.4
447.17996	1.7
447.22348	1.6
448.18979	1.3
449.19144	1.6
460.23007	0.5
461.19534	1.3
461.24121	1.0
462.20367	5.5
463.21353	4.2
465.23096	0.3
475.21255	1.8
476.22174	1.1
477.23071	1.6
479.20737	0.6
489.22937	1.3
490.24167	0.4
493.21375	0.9
493.27203	0.3
494.23367	0.6
495.24011	0.9
505.22586	0.6
506.23050	0.3
507.24203	0.9
508.24762	2.1
509.25552	1.8
521.25769	10.0
522.26190	0.3
534.25122	0.2
535.26855	0.6
540.27435	0.4
549.25037	16.9
550.25500	0.5
553.25238	0.9
563.26709	3.0
564.27527	0.7
565.28149	0.3
567.26031	0.3
577.24585	0.6
580.25061	0.3
581.27710	3.1
595.29279	10.9
596.29993	0.4
607.29260	0.6
609.27118	11.5
617.57990	0.2
623.28656	1.6
655.31323	100.0
656.31830	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01862	2.2
55.05532	1.0
57.03435	1.5
58.06589	2.5
61.02922	2.7
65.03968	1.1
67.01835	1.0
67.05505	1.4
69.03423	3.4
70.06583	2.5
71.04975	2.6
71.52665	1.3
72.08157	1.5
73.02905	3.8
79.05491	2.1
81.03448	1.9
81.07036	1.1
83.04996	1.3
84.08139	1.3
85.02911	9.0
86.09692	1.2
91.05476	4.3
93.03420	2.4
93.07076	2.0
95.04978	1.7
96.43991	0.8
97.02898	6.8
103.03961	1.5
103.05460	1.8
104.65520	0.9
105.03387	1.3
105.07046	1.9
107.04959	3.6
107.08605	2.1
109.02884	3.7
115.03938	1.5
115.05463	2.4
115.67557	0.8
117.03394	1.7
117.07020	3.7
119.04937	3.8
121.02848	4.3
121.06514	2.2
123.04439	4.0
127.03940	2.5
129.07024	1.2
131.04926	3.7
131.08615	0.9
133.02863	2.0
133.04994	1.0
133.06406	1.6
135.04437	3.9
137.05975	3.8
139.03911	3.3
145.04955	1.2
145.06508	4.7
147.04439	3.9
149.02367	2.2
149.05995	3.2
149.09653	1.3
151.03922	14.4
151.05098	1.3
151.07669	1.1
159.04420	5.0
160.07610	1.4
161.05972	2.0
163.03925	8.6
163.07481	1.7
165.05482	3.5
167.03406	2.4
169.04990	3.1
173.05968	6.3
175.03940	10.1
175.07375	1.0
177.05466	16.9
181.04956	36.9
181.06551	1.9
187.03908	9.8
189.05464	4.2
191.03351	1.8
191.06996	4.4
193.04959	34.0
193.97269	1.0
195.06561	1.0
197.05928	1.3
199.03886	3.5
200.04654	2.3
201.05475	18.8
205.04970	28.6
207.02754	1.0
207.06529	6.4
211.04037	1.4
211.05971	8.7
213.05502	2.3
215.07043	2.3
217.04840	6.5
218.05717	1.7
219.02971	1.6
219.06516	17.4
221.04449	1.3
223.06030	28.4
225.05435	2.9
229.04967	17.7
231.06531	3.8
233.04480	1.4
233.08066	1.1
235.06003	15.5
241.04964	2.4
243.06506	2.8
247.06033	75.5
253.04832	1.5
259.06070	13.7
261.07657	1.1
265.07053	3.3
271.06067	5.1
277.07080	24.4
285.03836	1.0
289.07083	17.5
295.08173	6.3
303.04993	1.9
307.08127	24.6
313.03568	0.9
313.09253	10.3
317.06622	4.8
325.09192	100.0
326.09586	1.3
329.06439	1.1
331.04416	2.0
331.10205	3.4
343.10260	46.3
345.06052	3.4
346.06772	5.0
347.07483	1.1
361.09186	49.0
523.14191	1.1
655.23364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33784	0.5
53.03894	0.9
54.73175	0.5
55.01822	3.0
57.03401	0.9
58.06554	0.7
61.02884	1.2
62.76005	0.5
67.01839	1.3
67.05463	1.1
68.99744	0.6
69.03375	1.8
69.74418	2.6
70.06541	1.1
76.83741	0.5
79.05428	1.7
81.03339	1.7
81.07026	0.7
83.04936	0.9
84.08121	0.6
85.02914	7.3
91.05432	2.2
93.03401	2.7
93.07018	1.1
95.01265	0.9
95.04932	1.2
95.08598	0.6
97.02899	9.5
98.20768	0.6
99.04418	0.6
103.03876	2.2
103.05414	0.7
105.03311	0.9
105.06945	1.5
107.04980	3.2
109.02876	2.7
111.04376	1.9
115.05399	1.0
117.06927	0.7
119.04933	2.7
121.02873	6.1
121.06506	1.3
123.04353	2.0
127.03835	1.3
128.06163	0.7
129.06935	0.7
130.08614	1.1
131.04932	2.6
133.02792	1.1
133.06421	1.0
135.04414	4.4
137.02298	1.5
137.05920	2.0
139.03931	5.1
141.06937	0.9
145.02838	0.9
145.06451	0.7
147.04411	3.6
149.02296	2.0
149.06020	2.8
151.03922	8.6
151.07471	0.7
159.04430	7.1
161.05907	1.6
163.03917	14.2
163.07506	0.8
165.05438	1.9
167.03387	3.7
167.07007	0.9
167.30566	0.6
169.04965	1.0
169.06361	1.0
171.04375	1.0
173.05956	2.9
175.03920	19.3
175.07352	0.7
177.05489	14.9
181.04976	56.6
187.03915	8.7
187.07581	0.8
189.05434	1.9
191.03354	0.7
191.06981	3.6
193.04980	61.6
195.06471	1.3
197.05949	2.1
199.03893	0.9
201.05478	8.9
203.03351	0.7
205.04976	26.9
207.06584	3.2
211.05951	1.8
213.05557	2.8
215.07013	2.0
217.04959	3.9
219.06538	16.6
221.04459	2.6
223.06030	31.1
224.45372	0.5
225.05470	5.1
229.04987	5.0
231.06497	2.8
233.08124	3.6
235.06004	5.2
241.04993	4.8
243.06599	5.5
247.06035	31.3
253.04965	3.8
259.06030	15.3
261.07532	2.7
265.07022	1.1
271.06033	8.7
277.07098	33.5
287.05566	1.1
289.07089	33.8
295.08041	1.5
307.08145	14.2
313.09189	3.7
325.09198	100.0
326.09680	0.7
331.09793	0.6
343.10269	75.2
344.10843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.01866	6.0
55.05528	25.6
57.03436	5.2
57.07075	10.5
65.03944	5.5
67.05515	53.5
67.05845	6.2
69.03432	16.8
69.07065	20.5
69.56652	10.5
69.57059	7.7
70.06597	4.5
72.07613	3.4
74.09731	4.0
75.04491	40.9
76.94710	3.1
79.05508	36.5
81.03428	22.5
81.07066	68.1
83.04980	26.5
83.08648	15.5
85.02923	18.5
91.05486	32.4
93.07056	39.5
95.04951	5.8
95.08624	82.1
97.02897	13.5
97.06547	5.7
97.10196	17.7
105.07055	33.7
107.04981	7.2
107.08614	23.4
109.02907	6.8
109.10168	66.1
109.96996	3.1
111.04457	6.0
115.05482	4.3
116.07081	4.5
117.07026	15.1
117.69654	3.1
119.08617	20.4
121.10141	21.7
123.11729	61.8
127.03969	7.6
128.06230	4.0
129.07014	9.5
131.08595	21.8
133.06505	3.9
133.10106	20.1
135.08017	4.1
135.11691	14.5
137.13295	20.8
143.08577	6.3
145.10138	18.0
147.08031	8.5
147.11670	20.8
149.13287	9.4
155.08551	5.2
157.05196	3.3
157.10188	10.3
159.08078	4.1
159.11734	19.1
161.13304	9.9
163.11159	6.1
169.10115	7.0
171.11696	13.2
173.09726	3.7
173.13310	11.2
175.01595	9.7
175.14912	5.4
179.17981	31.6
181.02644	18.0
181.10046	3.5
185.13370	6.8
187.14864	4.9
197.13290	4.4
197.18958	17.3
199.14697	4.1
206.54291	3.1
209.13307	5.8
227.04765	5.4
249.31755	3.2
257.05713	3.7
259.20642	5.6
261.22095	7.5
277.21588	5.3
283.20993	3.7
285.22290	4.3
291.23160	4.8
303.23184	14.7
310.27280	4.0
313.12036	9.5
315.23328	7.4
319.22650	4.3
327.23141	7.2
341.24854	3.5
345.23904	5.0
351.23071	7.5
369.18375	7.1
369.24255	23.9
387.02432	3.4
387.25348	25.6
399.43512	3.4
405.26404	25.4
423.27130	5.3
446.20996	3.6
447.21173	4.4
462.23141	8.6
475.20877	3.6
543.18866	9.7
548.23859	4.0
585.27307	4.6
594.16083	3.6
594.25940	6.4
599.25122	17.2
622.27417	5.2
623.24426	3.8
636.44080	5.0
654.30023	100.0
655.31281	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	654.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.1
53.70476	2.3
55.01865	4.3
55.05511	20.7
56.57706	2.3
57.03436	6.6
57.07062	3.8
67.05180	4.4
67.05514	59.7
69.03444	24.9
69.07081	18.7
70.96301	6.5
71.04977	7.1
73.84303	2.2
79.05502	46.7
80.43449	2.3
81.03423	39.6
81.07072	65.4
81.68450	2.5
83.04984	10.1
83.08619	10.8
85.02913	16.4
85.06557	5.1
91.05489	42.1
93.06496	2.9
93.07056	58.4
94.07380	2.4
95.04959	9.0
95.08064	4.4
95.08624	62.2
97.02886	13.2
97.06531	9.8
97.10177	5.7
99.04438	7.3
99.08062	3.5
101.06033	3.4
105.07044	41.1
107.04984	5.4
107.08624	32.4
109.02891	11.0
109.06521	4.4
109.10163	24.9
111.04440	9.3
111.08072	4.4
115.05400	2.9
117.07018	20.2
119.08604	37.6
121.06544	5.5
121.10147	22.5
122.46130	2.6
123.08050	7.1
123.11702	6.0
125.05994	3.1
125.09558	2.7
127.03919	8.5
129.06995	9.6
131.08568	24.3
133.06471	5.3
133.10138	24.7
134.61234	2.4
135.08047	6.6
135.11717	18.9
137.13309	5.0
141.06966	3.7
143.08530	12.6
145.06502	2.8
145.10155	17.7
147.08064	5.7
147.11734	13.4
149.09605	3.9
149.13271	9.6
151.07526	5.6
155.08543	7.4
157.10132	8.1
159.11732	15.7
161.13258	28.3
163.11105	3.7
163.14888	4.0
165.09177	2.5
165.12796	2.7
169.08765	2.5
169.10153	6.4
170.32196	2.4
171.08110	4.3
171.11725	10.4
173.09589	4.5
173.13278	8.7
175.11185	5.6
175.14845	4.7
177.16393	4.3
178.16762	3.5
179.14323	20.8
183.11697	5.3
185.09607	4.0
185.13239	7.3
187.14854	5.7
189.12750	3.1
191.14383	2.9
193.10222	4.0
197.13341	4.9
197.15372	10.9
199.14832	2.9
203.14449	3.2
213.12794	3.1
221.15282	2.9
223.14946	3.8
225.13950	3.6
225.16478	3.0
241.19580	3.6
243.21051	3.4
259.20673	3.1
261.22198	9.1
273.22089	5.6
277.21664	6.8
279.23077	3.4
285.22046	3.8
289.21283	3.8
291.23203	6.6
301.21677	8.0
303.23367	16.9
305.17642	6.1
313.21667	4.1
315.23288	7.7
319.22684	6.1
323.23950	2.8
327.23325	6.1
337.11642	4.1
341.24823	8.4
343.22787	2.5
345.24454	3.1
351.23175	9.0
356.44943	2.5
369.24323	30.3
387.25430	32.9
405.26477	32.4
423.27640	4.2
427.25732	3.1
431.18405	3.4
446.20709	3.4
448.21976	5.9
455.17398	3.1
460.22461	5.1
476.21228	3.5
488.21463	10.4
516.20605	4.9
530.22363	5.1
534.25177	4.1
561.24329	7.2
562.25433	98.8
563.25610	4.5
590.24701	8.0
622.27454	100.0
645.75543	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	654.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01894	0.7
57.03417	1.4
61.02924	1.7
63.25986	0.7
69.03433	7.0
70.02954	6.2
70.06608	4.0
70.85046	1.9
72.08162	1.1
73.02908	0.7
74.00655	1.8
79.05463	1.3
81.03429	4.7
83.01351	1.0
84.08147	1.3
85.02905	14.4
86.06038	1.4
86.09745	0.9
87.04461	0.8
88.03999	56.1
91.05475	1.9
93.07024	0.8
95.04966	1.6
97.02898	6.4
99.04444	0.9
100.81642	0.8
107.04973	4.1
108.05742	1.1
109.02906	8.3
115.05457	2.0
117.06992	0.8
117.99615	2.4
120.01175	1.4
121.01072	2.7
121.06476	1.9
127.03897	3.1
128.06248	1.1
129.06990	1.4
131.04927	1.4
134.02493	0.8
135.04433	1.8
136.05153	2.5
137.05956	3.5
138.06679	1.2
143.04906	1.3
145.04987	1.1
145.06488	3.4
146.07294	3.1
149.00566	20.8
149.01752	1.0
150.03691	0.9
151.07555	62.9
155.01646	2.5
155.04774	0.8
157.06482	2.7
158.07280	2.7
159.04385	1.2
159.07947	1.2
160.05157	1.0
161.05948	1.9
162.06764	2.5
165.05441	2.3
165.09126	1.7
167.01630	2.8
169.03204	6.2
172.08868	3.9
173.05969	3.2
174.06770	5.1
175.02203	0.9
175.07565	2.9
176.01678	3.9
176.08310	1.3
177.09143	8.7
178.00800	3.1
178.03203	2.7
180.02461	1.6
181.03183	7.5
183.01178	4.2
185.06120	0.9
187.02182	0.9
187.07550	1.6
188.08298	6.0
189.09119	19.7
191.08708	1.4
191.10689	2.4
193.03273	9.5
201.09132	16.8
202.09926	1.2
203.10661	11.7
204.02396	0.9
205.03185	1.5
205.08638	1.1
207.04767	2.4
208.04282	8.0
209.02675	1.9
210.05806	0.8
211.04245	2.5
215.10562	1.6
217.03259	1.4
217.08591	1.5
219.04764	2.4
219.08160	1.9
219.10188	3.7
221.09619	0.9
227.03833	1.2
231.04839	1.0
231.10196	3.6
232.08629	1.1
232.10997	1.0
233.09615	1.8
234.05908	1.8
241.08789	1.1
244.06401	2.5
247.04179	0.9
247.07527	2.1
248.08293	0.9
249.05792	1.2
249.09058	2.1
249.11292	1.8
251.10739	1.3
252.03439	1.7
252.06148	2.6
252.10941	1.3
254.04837	16.3
256.06378	1.5
261.09143	4.3
262.09967	2.2
263.07324	0.8
263.10410	1.4
265.03210	1.9
268.13303	1.5
274.62811	0.8
275.10599	1.0
276.11426	1.8
277.08588	3.4
278.04800	1.3
278.09323	2.5
279.04733	2.7
279.10156	2.3
280.05551	3.9
281.06329	1.8
281.11566	1.4
284.10284	1.9
288.04584	1.4
291.04730	0.8
291.10205	4.2
292.05911	2.9
292.10898	1.5
293.06583	1.6
293.11664	3.5
295.07831	3.1
296.04880	1.8
297.05878	1.9
303.06866	4.2
305.11722	1.7
306.07803	1.5
307.04245	1.2
307.09607	2.9
308.04977	2.7
309.05865	7.8
309.11292	6.4
310.06494	3.0
310.11859	1.6
311.07529	4.5
312.08032	1.0
315.06714	0.9
321.05832	2.7
321.11224	5.8
322.06497	0.9
322.12003	5.3
323.03885	1.0
323.07346	22.5
323.13046	1.8
324.04401	1.5
324.08102	10.2
324.13531	15.6
325.05258	2.2
325.08847	3.8
327.07043	1.0
328.07544	1.4
335.07407	1.4
335.12692	1.9
336.08401	5.7
336.13535	10.4
337.05246	1.5
337.08917	6.0
338.05991	1.2
338.09744	2.7
339.06863	2.6
340.07645	5.5
341.08380	1.6
343.10034	2.9
349.08902	1.4
352.07535	3.4
353.08444	3.1
354.09164	3.3
355.10019	30.1
357.11496	8.1
367.10074	8.2
369.07178	1.6
369.11563	16.0
373.11050	1.3
381.11691	3.0
385.11166	6.1
387.12576	12.5
398.14246	1.2
403.12021	3.4
409.11203	1.0
427.11493	0.9
428.15637	1.3
439.11673	1.1
444.14813	14.2
456.14899	6.0
462.15924	6.1
474.15823	39.0
492.16916	100.0
493.17105	1.8
516.16492	1.0
549.17938	1.1
636.21411	5.8
654.22101	24.5
655.21820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01872	3.1
57.03445	1.1
61.02910	2.5
67.05501	1.5
69.03429	7.7
69.78701	2.2
69.79086	2.5
70.06586	3.6
71.04987	1.5
74.02422	1.3
75.04447	1.4
79.05481	2.2
80.37532	1.0
81.03418	9.9
83.64357	1.1
84.08158	1.3
85.02921	17.0
88.03998	2.3
91.05486	3.0
95.04956	1.4
97.01132	1.5
97.02916	5.4
98.21471	1.1
99.04446	1.4
103.05455	1.8
107.04971	6.1
108.05728	1.6
109.02881	6.7
111.02655	2.2
115.05450	4.8
117.07024	1.5
119.04910	1.3
120.01134	1.5
121.06495	1.9
127.03895	4.9
131.04930	8.1
132.05656	1.4
132.67601	1.2
133.06435	2.0
135.04401	3.1
136.05215	5.4
137.05998	20.3
139.02054	1.3
139.07516	2.1
141.03685	2.4
143.04926	4.2
144.05675	2.6
145.06508	6.1
146.07231	2.6
147.02634	1.7
147.04405	5.9
149.00589	3.4
150.06804	3.0
151.03880	3.2
151.07558	100.0
157.06473	2.5
158.07272	4.8
159.02690	1.3
159.04430	7.9
159.08112	1.7
160.05219	2.0
160.08888	1.6
161.06003	3.9
162.06743	3.3
163.02251	1.6
163.03929	3.3
163.07578	3.0
165.04205	1.3
165.05508	14.3
165.09157	1.9
167.01625	12.9
169.03197	20.2
171.02652	1.4
172.05249	2.4
172.08801	3.1
173.06003	6.4
174.06801	7.4
175.07562	4.8
176.08353	2.2
177.03699	2.7
177.09093	8.6
179.07039	4.2
180.02455	1.7
180.99529	2.8
181.03181	2.0
183.01091	2.3
187.02133	2.5
187.07573	2.4
188.08324	7.4
189.03712	1.6
189.05426	1.4
189.09148	18.3
191.07028	2.2
191.10654	2.9
192.02681	1.4
193.03189	12.8
195.04787	5.8
197.02710	1.8
199.02097	2.9
201.03712	1.2
201.09096	10.4
203.10704	10.4
204.07802	1.8
205.03197	15.4
205.08568	1.8
207.04771	3.2
208.04256	2.7
211.07571	1.3
213.03717	1.4
215.10687	1.6
217.03223	6.5
219.04759	7.7
219.08195	2.3
219.10182	8.1
224.03731	2.2
225.09117	1.6
231.04829	2.6
231.08086	1.4
231.10234	3.1
235.04291	2.0
239.03696	1.4
241.08617	2.5
247.04285	5.8
247.07585	3.1
249.09157	2.3
251.05307	1.7
254.09355	3.4
261.09045	2.5
262.09830	2.7
263.07263	1.3
263.10611	1.8
267.10178	2.0
268.05310	1.3
269.08148	3.4
273.05658	1.7
275.10757	1.2
277.08633	2.6
279.04926	2.3
279.10303	2.0
280.05325	2.0
281.06396	1.4
281.11646	1.4
284.10370	8.5
287.07364	1.6
288.04709	1.2
288.07935	1.6
290.09442	1.8
291.04913	1.9
291.10110	6.5
292.10712	1.5
293.11652	3.5
294.07855	5.0
294.12555	2.2
295.04352	1.3
297.05701	3.8
301.05255	2.3
305.11807	2.2
306.08023	6.1
307.09756	2.5
308.04956	1.7
309.05753	2.7
309.11194	1.9
310.12015	2.2
311.07352	5.0
313.08853	1.2
314.06030	3.5
315.06744	9.7
316.07587	2.3
317.08606	2.1
321.05728	3.3
321.11194	4.5
322.11987	8.5
323.07266	4.2
323.12863	2.3
324.08435	3.4
324.13477	3.4
325.05206	1.7
325.08862	3.0
325.14166	2.2
327.06866	2.1
334.11969	3.1
335.07343	3.0
335.12540	2.0
336.08350	4.9
336.13571	4.1
337.05200	1.6
337.09082	3.1
338.15005	2.6
339.06952	2.0
340.07581	4.2
341.08435	3.1
349.09015	3.2
351.10474	1.1
352.07480	3.2
353.08359	3.0
354.09140	1.4
355.09927	19.9
356.16174	9.0
357.11609	1.6
367.10007	14.1
369.11478	3.8
370.08862	2.2
371.09497	2.8
373.10980	2.9
381.11566	4.5
385.11066	30.7
386.11407	1.4
387.12717	2.1
393.11487	2.8
396.12756	2.4
397.10565	1.6
399.12448	1.5
403.12131	37.1
404.12070	1.4
410.14072	4.4
411.12723	3.6
427.12036	2.8
428.15082	4.6
429.13678	9.0
432.14560	3.2
439.12198	2.4
442.12994	3.1
444.14786	17.8
445.14072	1.5
446.16412	1.9
456.14883	6.3
457.12961	5.9
462.15515	4.7
474.09464	1.7
474.15863	28.4
475.14374	16.5
492.16916	65.8
494.22867	1.3
534.17560	1.6
562.87231	1.2
600.18781	2.3
654.23022	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18336	1.6
69.39128	12.0
71.04922	1.5
79.79156	1.4
98.20776	3.3
101.48186	1.5
207.09105	1.9
208.91272	1.7
209.10851	1.5
210.11504	1.6
225.13910	4.4
226.14560	1.9
234.35583	1.7
237.13947	3.6
239.10861	1.6
275.07809	1.6
281.20358	1.6
316.45599	1.5
337.12051	2.9
388.27127	1.6
415.15469	2.7
431.18143	2.7
435.21960	3.0
443.18524	2.0
444.19757	2.3
445.20441	3.5
446.20490	2.5
447.21988	2.8
459.21683	5.9
460.23032	1.8
473.24249	1.7
474.19998	1.5
487.21494	12.6
491.22147	1.8
501.22549	4.4
515.20630	2.9
519.23859	4.5
521.25635	4.1
529.22437	4.0
531.20514	1.9
533.25421	5.9
543.23602	2.8
561.25012	89.0
562.25586	1.9
575.26190	2.4
589.24609	8.5
593.30969	2.8
621.27136	100.0
622.27014	2.6
635.29089	8.0
653.33167	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61376	0.6
55.05497	0.5
67.05498	0.9
71.52782	0.6
81.07081	1.1
83.73671	0.6
133.03084	0.7
229.46916	0.6
377.17651	1.3
389.18436	0.9
390.18488	1.0
391.19241	3.9
392.20111	2.6
393.21039	0.6
403.19565	1.1
405.20926	7.8
406.21564	6.0
417.20724	1.0
419.22495	2.2
420.22964	4.9
421.16113	0.7
421.18173	0.8
421.23969	9.4
433.19781	3.9
434.24698	1.0
435.18188	1.4
436.19070	2.3
445.20139	1.0
446.20853	0.9
447.22183	1.9
450.20593	2.8
451.21106	1.4
452.22021	1.8
460.22659	2.2
463.21619	1.5
464.21628	0.7
465.22937	36.3
466.23117	1.1
473.20004	2.6
475.25598	1.1
477.23315	0.8
478.23969	0.9
479.24585	6.6
480.25433	3.5
487.21603	1.8
488.21988	3.5
491.21234	2.2
492.21719	1.1
501.23663	0.9
503.24490	39.1
504.24994	2.0
505.32971	0.8
507.27802	2.4
535.27136	31.7
536.27606	1.0
551.26538	4.1
561.25232	1.7
566.29272	1.1
579.26093	33.5
593.27539	1.5
594.28540	11.3
615.43909	0.7
621.27124	13.4
622.27734	1.2
653.29791	100.0
654.30328	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	653.2973
Annotation	Haplophytine
Peak:m/z	Relative Intensity
67.05436	0.6
69.77065	0.9
69.77447	1.8
81.06994	0.5
120.16448	0.4
130.07573	0.4
153.99168	0.4
221.10742	1.0
223.12268	0.5
263.00433	0.4
269.12897	0.5
300.14764	0.6
311.13959	1.0
311.25546	0.5
314.16312	0.6
326.16617	0.7
337.15338	0.6
339.17038	0.5
343.36063	0.5
375.16351	0.5
377.18481	0.7
382.15103	0.5
388.16861	0.4
389.17459	1.4
390.18353	1.7
391.19336	1.1
398.18549	0.7
400.20029	0.8
401.17755	0.7
403.19250	2.7
404.20145	3.8
405.15811	0.8
405.20767	11.0
406.21201	0.7
416.20206	0.6
417.20734	1.9
418.21536	1.6
419.22305	8.4
420.18182	0.6
420.23148	3.7
429.21011	0.7
430.17715	0.9
431.22223	1.9
432.23129	1.5
433.23990	6.0
434.16925	0.4
434.24734	2.7
435.18109	2.2
442.21503	0.7
444.19293	0.6
445.20047	1.4
446.20474	0.6
447.20963	4.3
448.26523	1.0
449.19617	6.5
450.20389	2.6
457.16449	0.5
459.21854	1.7
460.22760	0.5
462.20667	0.9
463.21326	6.4
464.22177	4.3
465.22842	2.6
472.18674	0.6
473.19601	0.9
474.24664	0.6
475.20959	3.2
476.22110	1.0
477.23007	4.7
478.23489	3.0
479.24475	36.9
480.24863	1.2
486.20261	0.7
487.21283	4.5
488.22116	0.9
489.23062	1.0
490.23425	0.5
491.20380	1.9
491.24551	2.5
492.25604	2.5
493.25931	2.1
501.23117	4.2
502.23788	2.2
505.25980	1.3
507.27588	20.0
507.35117	1.0
508.28156	0.9
519.24249	2.3
529.22278	0.5
533.25507	6.5
534.26569	1.0
536.23932	1.0
537.25018	11.7
550.25909	1.1
551.26575	34.2
552.26471	0.5
561.25104	8.1
562.25842	0.9
563.23022	0.9
565.28168	18.0
566.28918	64.5
567.29169	1.7
575.26935	0.8
578.26318	0.6
579.26123	0.6
593.27643	9.4
621.27148	14.8
622.28174	0.6
623.24652	0.5
625.30359	1.0
635.28882	2.5
653.29755	100.0
654.30463	3.1
663.41559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	2.5
66.93345	2.5
67.05507	6.7
69.07072	3.0
71.52836	4.0
76.54354	2.5
79.05495	2.9
81.07056	5.2
81.20035	2.5
84.97380	2.5
88.70840	2.1
91.05484	3.3
93.07057	4.6
95.08582	4.7
99.04474	2.3
109.10139	3.1
121.10137	3.8
163.14943	2.3
193.26659	2.2
225.13823	3.8
244.55409	3.2
249.13907	2.4
402.18881	2.6
444.19559	4.1
445.20370	3.0
454.17480	3.7
459.21957	3.9
487.21353	7.1
521.25336	2.7
529.21924	3.8
533.25226	4.8
547.23694	3.3
561.25000	89.5
589.24335	5.6
621.27191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03929	0.8
55.01863	0.6
55.48892	0.2
57.03424	0.4
61.64912	0.2
65.03942	2.8
67.05511	1.3
68.17189	0.2
69.03432	1.5
70.06582	0.2
70.11191	0.4
70.11588	0.4
71.04990	0.4
77.03928	0.3
79.05477	0.6
81.02997	0.4
81.03427	5.2
81.07043	0.6
85.02915	1.7
91.05490	1.7
93.03416	2.0
94.04181	1.3
95.04957	0.9
97.02907	1.4
98.20843	0.3
99.04445	0.6
103.05447	0.9
104.06249	0.4
105.04555	0.2
105.07031	2.6
107.04955	0.4
108.02105	1.7
109.02898	1.9
109.06513	0.8
110.03674	0.5
111.04470	1.9
112.01606	0.2
115.05450	1.9
117.07012	0.7
118.04095	0.2
119.04948	0.4
119.08591	1.0
121.06533	0.4
122.03658	3.8
123.04442	0.3
125.06010	2.1
127.03934	1.0
128.06239	1.1
129.07022	1.1
131.04945	0.8
132.05708	1.1
133.06499	2.3
136.01570	0.4
137.05986	44.3
141.05464	1.4
141.07056	0.3
144.05743	0.4
145.06517	0.5
146.03659	0.4
147.04437	0.7
147.08055	1.7
149.06001	0.9
151.03918	100.0
151.04997	7.0
152.04286	0.3
155.04903	0.4
156.05721	0.3
157.06512	0.3
159.08034	1.1
160.05234	0.8
161.05991	6.5
163.07549	1.4
167.06987	0.2
169.04984	6.3
171.08049	0.4
172.05197	0.5
175.07556	11.9
177.05559	0.2
179.07080	0.3
181.05005	0.6
184.05228	0.7
185.05957	0.3
187.07542	3.6
188.89308	0.3
189.06952	0.5
189.09273	0.2
190.07797	1.0
191.08563	3.3
192.09383	0.3
199.07549	3.5
202.07767	1.7
203.08578	2.4
205.06570	0.3
207.01370	0.2
207.08116	0.4
208.08931	0.4
217.08574	0.3
218.07286	1.0
219.08061	5.6
220.08827	1.4
221.23009	0.2
230.07304	0.3
231.08073	3.8
232.08798	0.5
233.09613	0.3
235.07613	0.3
235.11278	0.3
236.08318	1.2
237.09106	0.3
246.06616	0.3
247.07591	2.2
248.08344	2.0
249.09151	0.5
251.10680	6.8
253.07109	0.3
259.07550	1.7
260.08359	0.9
261.09161	0.7
263.10733	1.8
264.07834	0.6
265.08636	0.6
276.07919	0.8
277.08609	1.0
279.10217	4.8
280.10965	0.4
281.08011	0.4
289.08398	0.2
291.10165	4.6
292.10925	1.0
293.08081	0.3
295.08136	8.2
295.13348	0.4
296.10580	0.7
308.10361	0.5
311.12802	12.3
312.13498	0.2
313.09146	2.1
318.26364	0.2
323.08789	0.4
323.12778	7.4
325.14465	0.4
341.13834	0.5
427.06396	0.2
431.14609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42414	1.0
52.91047	1.0
55.01875	7.8
57.03435	1.8
61.02927	2.5
65.15287	0.9
69.03429	2.4
70.35844	2.4
71.01344	2.1
73.02937	2.0
85.02908	3.7
93.03415	2.7
97.02905	1.5
115.05457	2.4
117.05777	1.5
121.02866	3.0
131.04941	2.8
132.08098	3.7
133.05109	1.5
139.03880	1.7
141.01842	1.5
145.06487	4.4
146.06024	34.1
147.04448	2.3
147.06833	1.3
148.07570	4.7
151.03914	2.3
153.05522	1.8
158.06055	2.0
159.06834	4.9
160.07602	86.2
163.03917	5.7
165.01877	6.2
170.06000	5.7
171.06784	2.4
172.06177	2.4
172.07590	32.3
173.08398	3.8
174.09183	3.8
175.03920	2.8
177.10275	6.3
179.03456	1.6
181.04994	12.9
183.06776	5.4
184.07613	12.3
186.05492	2.0
186.09123	6.1
188.07048	1.9
189.01871	9.7
191.03362	3.8
193.05005	5.2
195.02829	2.5
196.07637	11.0
197.04546	1.5
197.08359	7.2
198.09167	5.0
200.07149	2.4
202.08653	5.5
203.03423	15.1
205.04947	2.6
207.02913	51.4
209.04417	2.1
210.09166	4.3
212.07094	3.6
213.01880	1.6
214.08690	3.7
215.03329	2.4
217.04939	3.0
219.02945	9.9
221.04469	31.4
222.09114	2.1
225.03970	15.8
226.08667	7.0
227.03520	1.8
229.04919	1.6
231.02907	16.4
233.04443	4.5
234.09126	1.5
235.06161	2.0
236.07108	2.4
237.04042	12.5
238.08679	4.7
245.04472	5.8
249.03967	24.8
250.08684	3.5
252.06647	1.4
256.09631	2.3
257.04346	2.0
259.05917	1.4
261.04034	9.5
263.05545	9.5
265.03488	3.2
267.05063	2.1
270.07693	1.4
271.05972	2.0
272.05606	3.2
272.09198	3.4
273.03943	4.7
275.05591	4.5
278.08191	1.5
279.05011	2.7
282.07333	1.2
285.03830	1.6
287.05493	1.4
291.05011	10.5
298.07111	10.2
299.08072	1.9
303.04950	5.0
309.06082	13.5
312.08627	5.0
314.06680	1.5
322.12860	2.4
327.04974	1.9
330.07761	1.7
336.08734	3.8
339.07162	3.1
339.15698	2.0
340.08157	4.5
340.11862	2.2
342.07446	1.2
344.09155	1.6
345.06009	2.3
346.07169	2.9
348.08655	4.0
352.08136	1.7
352.12057	1.9
360.08640	3.0
362.10391	2.0
363.07132	5.1
364.08093	7.1
364.11957	2.7
365.08887	1.8
366.09705	9.2
372.08722	3.2
374.10184	1.9
376.08008	4.8
378.09805	6.8
380.11301	2.3
382.09122	2.2
388.07953	2.9
390.09753	22.7
391.10443	2.2
392.11200	3.5
400.10291	23.0
402.09756	2.5
404.11282	4.9
406.09180	2.7
407.12653	1.4
408.10712	5.4
414.09793	2.4
418.11438	27.1
419.09885	1.5
420.10727	5.2
423.09442	2.0
426.11963	2.4
432.10934	11.1
448.10422	1.9
449.13586	2.1
450.11765	3.5
454.11166	1.5
462.11588	1.8
466.11267	3.4
468.13010	7.7
474.11755	2.0
478.11935	1.4
480.13120	5.7
484.12289	1.8
486.14063	11.6
490.12210	1.3
492.12906	8.9
498.13699	2.8
508.14700	1.3
509.15561	33.0
510.13773	7.0
515.16742	1.4
527.16669	71.2
546.14398	1.9
556.14404	4.5
569.17432	2.0
574.15692	15.0
581.17645	3.0
582.16229	2.7
588.16895	3.7
599.18903	7.6
600.17371	12.0
606.18097	4.1
617.19836	6.1
618.08405	2.1
618.18286	43.8
635.21106	9.8
636.19305	100.0
637.19342	3.0
644.44989	1.7
653.22174	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	652.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.0
55.01862	6.8
55.05526	28.5
57.03427	7.5
57.07077	6.2
58.72799	5.0
65.03943	6.7
67.05515	72.6
69.03096	4.5
69.03448	31.6
69.03753	6.9
69.07085	34.3
69.69080	23.4
71.05008	10.3
74.06050	5.0
79.05090	4.0
79.05506	67.9
81.03439	37.6
81.07065	97.3
83.04965	8.0
83.08620	24.9
85.02921	24.9
85.06537	7.2
91.05491	60.4
93.07059	86.5
94.33665	4.8
95.04987	9.8
95.08614	85.8
96.53004	4.2
97.02888	19.3
97.06505	6.6
97.10144	7.1
98.20853	9.6
99.04462	10.1
103.03921	4.8
105.07034	42.5
107.04935	4.5
107.08600	77.7
108.98105	4.2
109.02857	6.7
109.06532	5.8
109.10171	39.6
111.04446	5.2
111.08080	5.9
117.07025	18.6
119.08582	38.7
121.10163	89.7
123.04385	6.1
123.08082	7.6
123.11720	7.2
127.03899	13.5
128.06244	5.1
129.07002	15.7
131.08560	38.8
133.06505	6.0
133.10120	20.8
135.11691	37.4
137.13295	9.3
143.08580	13.7
145.10127	27.3
147.08052	6.6
147.11691	15.7
149.09669	5.5
149.13237	11.3
151.07588	6.7
157.10129	20.6
157.18111	4.3
159.11708	23.0
161.09598	7.0
161.13268	9.3
163.11261	5.1
163.14906	4.6
169.10095	7.2
171.07933	5.0
171.11716	15.3
173.13257	18.1
177.16414	100.0
181.10149	6.8
183.11632	8.6
185.13304	10.8
187.11220	11.6
187.14864	7.1
189.12802	5.1
191.38594	5.0
195.11757	5.4
195.17473	31.9
197.13208	6.8
199.14836	5.0
201.12601	5.1
203.14343	5.8
209.13324	7.0
219.71924	4.5
241.19485	8.4
259.20605	14.3
261.22150	13.1
277.21533	9.0
285.22296	5.7
289.21716	8.0
291.23010	5.2
301.21463	7.3
303.23184	14.9
315.23248	9.6
319.22745	8.9
341.24750	4.5
351.23233	6.8
369.20645	4.9
369.24347	49.0
387.25250	40.1
405.26373	36.6
423.27328	16.6
487.21631	6.1
561.25079	21.1
621.26794	23.8
622.38013	5.9
652.28473	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59423	0.7
53.03954	4.2
55.01878	4.0
57.03429	2.0
61.02951	1.7
65.03953	1.3
67.05497	1.9
68.99793	1.3
69.03436	7.9
69.81033	3.7
71.04977	1.8
73.02908	3.2
79.05480	1.6
81.02989	1.1
81.03427	15.3
81.07066	1.1
83.01311	1.2
85.02434	1.4
85.02911	17.7
87.00838	9.6
91.03910	1.2
91.05486	1.3
95.04961	2.2
97.02901	13.8
99.04457	4.1
105.01887	5.0
105.07012	1.2
107.04945	1.1
109.02879	9.4
115.03837	0.8
115.05493	0.8
117.01856	1.8
118.16989	0.7
119.04948	1.5
121.02879	0.7
123.04416	1.8
124.16801	0.7
127.03941	11.0
129.01822	1.3
129.06998	0.8
131.04948	4.3
133.02888	1.0
135.04468	1.5
136.05193	3.2
139.07516	1.5
142.36673	0.8
143.04819	0.8
145.04987	5.7
145.06503	4.0
146.07240	1.0
147.02933	0.9
147.04407	2.2
151.03918	77.7
151.07552	47.6
151.08835	1.0
157.06491	3.0
158.07260	3.0
159.02901	5.3
159.04404	5.5
159.08023	1.0
160.08818	0.9
161.05980	2.6
163.03912	1.2
165.05464	3.1
165.09084	1.6
167.03432	2.2
167.07010	1.3
171.08070	1.0
172.08832	2.8
173.06018	4.3
174.06763	9.9
175.03809	0.8
175.07516	0.9
177.05481	1.7
177.09103	2.7
179.03462	1.1
179.06953	1.6
185.05908	0.9
186.06703	2.4
187.07495	0.8
188.08388	6.4
189.05489	33.7
189.09128	23.7
191.03357	1.6
191.07045	1.4
191.10631	1.1
193.04938	1.2
201.05487	12.0
201.09122	48.7
202.09798	1.8
203.07022	3.3
203.10683	13.0
205.08650	1.4
211.07555	1.1
213.09076	1.2
215.10603	0.9
217.08575	1.0
219.06532	5.0
219.10107	9.3
231.04813	1.3
231.06715	1.1
231.10167	15.6
233.11751	2.5
234.06586	0.8
235.07562	2.0
241.08598	2.2
247.07523	1.7
248.08183	1.4
249.07414	11.7
249.11331	6.3
250.09984	1.6
261.09161	2.1
262.09937	2.3
262.18143	1.0
263.06955	1.7
265.08511	1.8
268.07370	4.2
275.10556	1.0
277.08658	9.0
278.09421	3.6
279.06421	1.0
279.09875	1.0
281.11835	1.5
284.06796	3.8
289.08572	1.8
290.09424	3.7
293.08258	1.2
293.11612	3.8
298.08286	4.6
299.09164	11.3
305.08102	4.6
306.08859	1.8
307.09567	2.7
308.10345	2.2
309.07651	1.7
309.11145	2.7
311.09155	1.8
319.09644	3.8
320.10400	7.8
321.07635	2.0
321.11176	9.4
323.09344	1.2
324.09952	4.8
325.10721	1.0
336.09909	4.1
339.12289	19.8
341.13727	1.8
351.12283	33.5
353.13934	1.4
369.13364	100.0
370.13550	1.1
411.14178	1.1
492.59573	0.9
652.37366	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36372	3.6
53.03945	9.9
55.01868	5.4
55.03594	3.0
55.05525	26.7
57.03436	9.2
57.07077	10.5
57.68442	3.4
59.04998	4.3
61.02014	3.2
67.05514	100.0
69.03130	3.5
69.03444	30.8
69.07088	18.0
71.04974	6.4
71.08642	4.5
79.05511	33.8
81.03429	48.4
81.07072	69.4
83.04990	18.2
83.08613	19.9
85.02914	6.5
85.06546	6.1
91.05485	41.8
93.07051	42.1
95.04990	10.5
95.08616	44.2
97.02891	11.7
97.10170	8.3
98.20741	7.7
103.66590	3.1
105.07040	29.9
107.04962	3.6
107.08614	30.5
109.02891	10.1
109.06523	6.0
109.10167	83.7
111.04446	11.6
111.08092	7.1
113.85892	3.0
117.07037	16.5
117.07791	2.9
119.08582	22.7
121.06599	5.3
121.10155	22.4
123.08060	3.7
123.11692	9.2
125.09644	11.2
127.03945	7.5
129.05510	8.3
129.06982	8.2
131.08615	15.8
133.06488	4.0
133.10141	13.4
135.08052	7.0
135.11694	15.3
143.08585	10.8
145.10152	15.7
147.07983	3.9
147.11684	11.2
149.09630	4.2
149.13316	6.3
151.11166	4.0
153.12804	3.8
155.08551	6.3
155.10600	5.4
157.10223	6.3
159.08119	5.5
159.11673	12.9
161.13275	10.4
163.14891	3.8
169.10115	8.4
171.08104	3.5
171.11691	6.6
173.11757	21.2
173.13239	7.4
175.11200	3.8
175.14902	4.1
183.11726	3.9
184.38026	3.2
185.13220	9.1
189.11270	7.6
195.13806	3.6
204.93681	3.2
227.12782	12.3
229.05751	3.4
229.14388	33.2
242.50653	3.7
245.13994	3.7
261.22070	4.3
310.40488	3.1
313.27332	5.2
319.22748	3.5
327.23215	5.9
335.25909	18.4
337.27289	10.7
338.11929	3.2
345.24353	4.9
351.23132	5.7
369.24222	15.9
373.18481	8.8
387.25305	6.8
443.27960	5.3
461.29114	10.0
479.30148	5.5
489.35690	11.0
529.36346	4.0
578.82892	3.7
597.38043	7.8
615.39252	15.5
633.40094	41.6
651.42670	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	651.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87877	2.0
53.03948	5.7
55.01868	4.1
55.05516	23.1
55.84509	1.7
56.32946	1.8
57.03440	10.4
57.07073	6.8
57.48808	1.8
59.04996	4.2
65.03947	5.0
67.05512	100.0
68.37740	2.0
69.03435	24.0
69.07073	18.7
71.04990	8.0
71.08640	2.4
71.52219	2.2
71.52602	2.6
71.56824	1.7
77.03952	1.9
79.05502	30.6
81.03425	31.6
81.06581	3.9
81.07060	53.3
83.04991	12.9
83.08639	13.8
85.02901	6.0
85.06566	3.1
87.04455	1.9
87.91435	1.9
91.05487	32.4
93.07055	35.8
95.04983	11.2
95.08619	33.4
97.02895	9.2
97.06550	5.7
97.10175	7.8
98.25623	1.8
99.04435	4.1
99.08127	2.7
105.07042	21.9
107.04951	4.7
107.08597	21.0
109.02884	8.6
109.06551	4.0
109.10165	71.6
111.04455	6.3
111.08107	7.6
115.05445	2.5
117.07014	14.3
119.08593	22.2
121.06512	5.1
121.10162	15.6
123.04441	2.0
123.08064	3.3
123.11715	5.2
125.09618	6.8
127.03919	6.0
128.06218	3.6
129.05490	6.4
129.07013	8.0
131.04955	2.8
131.08549	17.8
133.06505	3.7
133.10173	15.5
135.08061	5.0
135.11711	8.8
137.05984	2.8
137.09634	7.0
137.13263	2.9
139.11185	2.0
141.07025	4.5
143.08598	9.0
145.06511	5.6
145.10118	11.0
145.61481	2.0
147.08134	2.7
147.11722	9.6
149.09618	3.5
149.13303	5.1
151.07527	2.4
151.11226	4.6
155.08537	6.0
155.10667	6.0
157.10159	5.7
159.08102	3.2
159.11699	9.5
161.09663	4.8
161.13287	6.1
163.14775	1.8
165.12746	2.6
169.10213	2.9
171.10335	2.3
171.11737	7.2
173.11757	20.6
173.13307	5.6
175.11201	3.0
175.14812	2.3
177.12775	2.4
181.10168	2.5
183.11714	4.3
185.09589	2.4
185.13268	3.3
187.14905	2.0
189.11209	7.3
195.13812	2.1
199.14911	3.5
211.14986	2.3
227.12706	9.1
229.14363	50.5
239.14346	1.9
245.13898	2.2
247.17184	2.7
259.20547	2.3
261.22208	5.0
268.84320	1.8
273.22244	2.1
277.21719	2.7
299.15030	1.9
301.21649	6.8
303.23224	3.0
313.21640	2.4
333.24258	2.2
335.25769	6.5
337.27463	4.2
339.18277	2.0
345.24139	3.5
351.23157	7.9
353.24899	3.6
357.24426	2.9
369.24133	10.0
371.25894	2.7
373.18652	3.3
378.92618	1.8
387.25247	8.4
405.26474	3.7
409.76147	1.8
443.27856	6.8
461.28754	5.7
479.30225	4.6
487.33572	2.5
489.35736	10.1
517.35840	2.0
559.35645	3.8
573.37671	3.4
574.27936	2.1
597.37756	9.5
615.38824	11.9
633.39990	37.9
651.41956	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	651.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01873	3.8
55.05518	28.1
57.03440	12.2
57.07077	2.2
59.05001	4.3
61.23089	1.6
65.03932	3.5
67.05510	100.0
69.03436	24.1
69.07072	17.5
69.44526	6.4
69.44955	6.2
71.04992	6.0
73.02921	3.4
78.77916	1.8
79.05502	26.8
81.03427	42.8
81.07063	52.1
83.04982	16.9
83.08622	12.8
85.02905	3.9
85.06542	4.2
91.05489	25.8
93.07061	33.6
95.05016	9.7
95.05515	1.9
95.08614	37.3
97.02895	11.7
97.06524	5.0
97.10172	12.2
97.94200	1.8
98.21516	2.1
99.04462	3.4
105.07035	23.9
107.04970	4.1
107.08604	20.5
109.02898	7.9
109.06516	2.5
109.10165	61.7
111.04444	9.1
111.08068	5.3
115.05528	2.5
117.07034	13.1
119.08583	17.0
121.06548	4.3
121.10152	15.8
123.08102	4.6
123.11740	7.4
125.09620	12.1
127.03931	7.0
128.06230	3.2
129.05490	7.2
129.07028	5.2
131.08563	15.4
133.06517	3.3
133.10141	12.0
135.08073	5.9
135.11694	11.0
137.09628	5.3
137.13132	2.5
139.11246	2.7
141.06999	3.7
143.08586	7.6
145.06494	3.0
145.10168	12.7
147.08112	2.5
147.11685	8.1
149.09657	4.4
149.13280	5.8
153.09183	2.2
155.08586	5.1
155.10707	4.4
157.10176	8.5
159.08168	3.1
159.11732	7.5
161.09628	1.8
161.13287	5.2
163.11179	2.3
167.08679	2.3
169.10155	4.5
171.11748	6.4
173.11769	15.5
173.13222	3.9
175.11151	3.3
175.14853	3.2
183.11719	4.5
185.13275	3.4
189.11217	11.2
189.12767	2.6
191.14279	2.5
195.11740	2.3
197.13315	3.8
199.14813	2.4
201.12741	3.2
209.13385	2.1
227.12726	17.1
229.14349	42.0
245.13908	4.9
259.20486	2.9
261.22171	4.3
277.21710	2.4
279.23273	2.3
297.13086	2.1
299.15082	3.2
301.21649	3.4
303.23254	3.0
313.21750	3.2
327.23474	2.2
335.25937	10.3
337.27350	7.5
341.24796	2.6
351.23318	7.0
353.24863	2.3
369.24445	12.3
371.17044	6.2
373.18594	7.2
387.25256	8.4
405.26346	5.0
443.27963	4.5
461.28940	4.6
479.30209	5.6
489.35730	8.0
507.36661	3.6
573.37750	3.3
597.37744	7.3
615.38782	13.9
633.39868	32.7
651.40637	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	651.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.01867	4.1
55.05513	23.7
57.03441	11.7
57.07072	3.5
59.05003	2.5
65.03951	3.3
67.05511	100.0
69.03431	22.8
69.07084	15.5
69.51379	14.6
71.04994	5.9
74.77972	2.2
75.17633	1.9
79.05499	31.7
81.03428	42.7
81.07066	54.6
83.04990	15.5
83.08622	15.0
85.02933	4.8
85.06532	3.3
91.05487	28.9
92.97532	1.8
93.07053	34.7
95.04979	8.0
95.08630	33.0
97.02913	13.2
97.06567	2.9
97.10205	14.1
99.04455	3.9
99.08138	3.1
103.16112	2.1
105.07056	22.7
107.04977	3.9
107.08597	22.4
109.02873	7.5
109.06507	3.8
109.10165	65.8
111.04455	9.3
111.08056	2.9
117.07043	13.2
119.08601	15.6
120.61420	2.1
121.06476	3.0
121.10148	14.4
123.08041	4.1
123.11732	5.1
125.09660	13.6
127.03929	7.4
128.06229	2.9
129.05489	8.4
129.07024	7.6
130.07835	1.9
131.08534	14.0
133.06502	4.5
133.10161	10.4
135.08078	3.9
135.11708	9.1
137.09613	4.9
141.06961	3.0
143.08565	9.1
145.06419	3.7
145.10161	11.9
147.08043	3.9
147.11702	8.7
148.86319	2.2
149.13292	4.7
151.07512	2.1
155.08635	4.9
155.10742	4.8
157.10149	7.5
159.08134	2.1
159.11694	9.1
161.09637	3.4
161.13252	3.5
169.10121	2.9
171.11705	5.7
173.09601	2.8
173.11754	15.9
173.13310	6.5
175.11171	2.7
181.10097	2.5
183.11748	4.9
185.13260	4.6
187.14745	2.3
189.11253	9.2
189.12804	2.4
197.09578	2.4
211.14856	2.6
215.14127	2.5
227.12749	14.4
229.12146	3.4
229.14363	38.5
245.13811	4.8
249.69211	2.2
259.20755	2.0
261.22189	5.6
277.21555	3.7
301.21558	4.4
303.23288	3.1
327.23315	2.4
335.25787	8.0
337.27441	7.8
351.23276	5.7
361.53027	2.3
369.24228	8.1
371.16934	3.7
373.18427	4.3
387.25262	6.3
405.26575	3.7
443.27661	3.3
461.28976	6.4
471.34439	2.1
479.29980	3.7
489.35764	6.9
597.37549	6.5
615.38824	12.3
633.39990	29.4
651.40881	14.7
656.85394	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.6
50.81172	0.4
51.02381	1.1
53.03955	5.0
55.01875	7.0
57.03447	3.9
61.02930	3.5
62.46030	0.4
65.03947	1.1
67.05505	0.5
68.99793	3.0
69.03436	24.4
69.45534	0.4
71.01362	0.5
71.05005	3.2
71.38518	0.5
71.38866	0.5
73.02923	4.5
79.05508	2.9
81.03426	35.7
81.07053	1.0
83.01360	0.7
85.02916	34.2
87.00304	1.0
87.00838	15.7
87.04491	0.6
91.03967	0.7
91.05488	1.2
93.03407	0.9
95.01343	2.0
95.04979	4.4
97.02903	14.9
99.03839	0.6
99.04465	8.7
103.03967	0.7
103.05466	2.2
105.01876	7.3
105.03380	0.8
105.06976	0.5
107.04947	0.6
109.02896	24.8
109.06545	0.5
110.03695	5.7
111.08076	0.6
115.03957	0.6
115.05469	6.0
116.06116	0.4
117.01871	3.7
117.07030	3.4
119.05003	0.5
121.02839	0.6
121.06489	0.7
123.04440	14.7
124.05234	4.1
125.02359	2.9
125.05064	0.6
125.06004	16.5
127.03934	30.1
128.06238	5.3
129.01862	2.5
129.07018	33.3
131.04945	5.8
131.08563	1.5
133.06480	0.8
135.04430	68.2
137.02295	1.0
137.05917	0.5
138.03160	0.8
139.03842	0.4
139.07553	6.9
140.04691	1.6
141.07034	0.5
143.04929	4.0
144.05647	0.5
145.04979	7.8
145.06499	6.0
147.02911	1.7
147.04462	1.4
147.08047	1.1
148.05264	0.5
149.02353	14.6
149.05974	1.0
151.03899	3.3
151.07541	2.9
152.04688	4.7
153.05478	5.2
155.07048	66.7
156.07333	0.6
157.06516	23.2
158.07071	0.5
159.02911	11.6
159.04422	2.8
159.08054	0.6
160.05217	0.8
161.05994	3.9
163.03946	0.9
163.07545	1.0
167.07057	49.2
171.02968	0.5
171.04399	2.4
172.05208	2.3
173.06004	20.3
174.06763	1.6
175.03915	1.0
175.07547	3.7
176.04706	1.0
177.05510	1.9
177.09137	0.5
178.06223	0.8
179.03473	1.0
179.07115	3.3
181.04977	100.0
182.05371	0.8
183.04407	0.6
183.06467	1.1
185.05974	6.2
186.06773	1.6
187.07564	27.8
188.04747	1.1
188.08328	0.6
189.04013	0.5
189.05466	8.6
190.06271	2.5
191.07059	3.6
193.04924	0.6
195.06654	0.9
197.06065	0.6
200.04713	0.6
201.05486	39.2
202.06149	1.7
203.07051	13.6
204.07916	0.7
205.08615	2.9
206.05678	0.9
207.06561	3.4
207.10027	0.8
209.08101	3.5
213.03786	0.9
213.05515	2.4
214.06314	0.5
215.06996	3.5
217.08624	1.0
218.05768	14.2
219.06532	7.0
220.07147	0.6
221.08003	2.3
225.07547	0.5
231.06702	20.7
232.07202	0.6
233.08104	51.5
234.06697	0.5
235.09636	2.7
235.87965	0.5
245.08136	2.2
249.07469	5.5
251.09195	3.8
263.07043	0.9
263.09192	22.9
265.08612	0.9
275.06998	1.2
276.07819	0.7
277.08691	1.4
279.06683	0.6
281.10352	2.8
289.08524	0.5
292.07361	0.5
293.08112	1.3
294.08890	1.0
295.09497	0.6
297.07761	0.6
304.07526	0.7
305.08084	1.3
306.08969	1.5
307.09790	1.6
308.10431	0.7
309.07547	0.7
309.11206	1.0
311.08923	0.6
312.09656	0.7
314.07919	0.6
318.08939	0.5
319.09717	0.7
320.06839	0.5
321.07672	1.0
321.11212	1.1
322.08322	0.8
323.09241	2.2
323.12570	0.5
324.09943	1.8
325.07294	0.9
325.10635	3.4
327.12292	0.7
335.09039	1.4
336.09857	1.8
337.07333	0.5
337.10529	2.3
339.12317	4.1
340.09247	1.3
349.10846	1.3
355.11761	9.3
357.13425	0.7
367.11826	11.6
369.13367	1.6
373.12769	3.3
385.12857	70.5
386.13177	1.3
387.14426	10.1
403.13931	19.4
478.93079	0.5
485.39255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.05514	6.2
57.03425	2.3
67.05508	15.8
69.03421	7.4
69.07063	5.4
69.48839	13.2
79.05483	14.2
81.03429	9.9
81.07064	26.2
83.08626	3.3
85.02905	7.9
86.09697	3.2
91.05486	13.5
93.07047	18.7
95.04970	2.9
95.08610	18.8
97.02879	4.3
99.08092	2.9
105.07047	15.2
107.04995	2.1
107.08601	22.0
108.42614	2.0
109.02911	2.4
109.10161	6.3
110.07915	1.8
113.09642	2.6
117.07033	5.4
119.08598	48.0
121.10162	8.1
123.11707	6.0
127.03915	1.8
129.07022	2.6
131.08595	5.4
133.10135	71.3
135.11697	26.0
137.09659	2.5
145.10133	5.7
147.11710	6.5
149.13271	3.0
159.11693	3.5
171.11771	2.0
173.13329	3.4
175.14836	100.0
184.07381	5.9
193.15897	20.4
211.16928	14.9
243.20906	2.7
261.22205	1.8
276.90329	1.8
291.23361	2.1
295.01929	1.8
296.33636	1.8
303.23578	2.1
333.18768	2.0
351.23288	2.7
369.24362	7.0
387.25128	5.8
405.26376	5.6
423.27524	2.7
444.92258	2.1
524.22009	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	650.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05517	5.2
56.38100	0.6
57.03437	0.8
65.03958	1.0
67.00478	0.5
67.05510	10.2
69.03436	4.9
69.07074	4.4
69.31751	3.6
69.32164	0.8
71.05006	2.8
71.90314	0.5
77.03915	0.7
79.05499	8.0
81.03424	6.7
81.07063	17.9
83.04968	1.6
83.08620	2.0
85.02924	3.8
85.06548	1.1
86.09689	1.6
91.05484	9.7
93.07058	12.8
95.04967	1.5
95.08610	17.2
97.02895	2.4
97.06525	1.2
97.10161	0.9
99.04454	1.3
99.08102	3.6
103.03976	0.8
105.07040	15.3
107.04949	0.8
107.08607	12.9
109.02892	1.7
109.06517	1.6
109.10167	5.2
111.04451	1.5
111.08140	0.6
113.09650	1.2
115.05451	1.0
117.07018	3.8
119.08593	53.1
121.06532	1.2
121.10148	5.9
123.08100	0.9
123.11711	5.3
124.99998	1.5
125.09655	0.7
127.03934	2.3
129.05479	0.6
129.07008	2.2
131.08575	5.5
133.10141	100.0
135.11696	17.8
137.09647	1.3
143.08563	1.7
145.10139	4.2
147.08038	0.8
147.11700	5.0
149.09607	0.5
149.13264	2.0
155.08604	0.6
157.10118	1.5
159.08214	0.7
159.11693	3.1
161.05995	0.6
161.13307	1.6
163.14775	0.6
169.10133	1.0
171.08086	0.6
171.11699	1.7
173.09608	0.7
173.13257	2.6
175.14842	85.4
178.93796	0.6
183.06548	1.4
183.11748	0.9
184.07359	5.3
185.09731	0.6
185.13284	2.0
187.11177	0.9
191.14395	0.8
193.15895	17.7
211.15097	0.5
211.16933	13.5
217.15828	0.6
222.02991	0.6
243.20944	0.6
261.22202	1.8
273.21997	0.7
277.21661	1.4
279.23282	0.6
283.20587	0.6
285.22095	0.8
289.21606	0.9
291.23199	1.4
301.21695	0.7
302.35596	0.5
303.23230	3.1
315.23328	0.6
323.23697	0.8
327.34109	0.5
341.24719	1.1
351.23218	1.6
369.24280	4.1
387.25406	5.5
387.47110	0.7
405.26422	4.2
423.27444	2.2
650.43732	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	4.4
53.03941	11.7
53.42123	4.3
55.01870	10.6
55.05517	26.9
57.03437	7.5
57.07077	8.1
64.46092	4.2
65.03948	5.5
67.05511	84.6
69.03436	35.6
69.07073	51.5
71.05003	41.1
71.48438	6.9
79.05501	58.9
81.03427	50.1
81.07064	100.0
83.04980	17.9
83.08622	21.5
85.02915	28.1
85.06541	12.8
87.04509	5.3
91.05494	63.0
93.07051	90.2
95.04976	22.1
95.08051	7.5
95.08621	90.7
96.53693	3.9
97.02338	4.2
97.02878	21.7
97.06529	14.5
97.10165	16.2
99.04455	11.1
99.08083	6.2
103.03969	5.0
105.07047	78.6
107.04972	11.5
107.08610	67.4
108.04517	4.7
109.02857	12.8
109.06525	26.2
109.10161	50.9
111.04452	14.1
111.08082	17.7
111.11721	10.7
117.07018	28.6
118.67951	4.2
119.08581	79.6
121.06537	6.7
121.10144	50.6
123.08077	17.7
123.11723	60.1
127.03924	12.9
128.06224	4.2
129.07021	24.6
131.08563	46.0
133.06506	9.2
133.10144	68.1
134.77113	4.2
135.08047	6.3
135.11719	38.6
137.09651	8.2
139.11191	5.4
143.08574	13.0
145.05031	4.3
145.06497	8.0
145.10155	36.6
147.08070	6.8
147.11707	26.1
149.09679	5.0
149.13292	12.9
151.07582	7.7
151.11218	10.0
151.14850	5.0
155.08556	11.7
157.06473	5.6
157.10127	17.3
157.34593	4.2
159.08098	9.7
159.11708	27.0
161.13249	22.4
163.11172	7.2
163.14902	7.9
169.10121	15.5
171.08032	5.7
171.11699	11.9
173.13287	22.1
175.11234	9.0
175.14853	53.4
177.12811	4.7
179.14307	5.8
183.11720	8.8
185.13203	7.1
187.11261	5.7
187.14786	7.3
193.10124	4.6
193.12224	4.8
193.15924	74.4
195.11618	5.0
197.13316	7.5
199.14842	8.6
209.13429	6.0
209.15349	10.7
210.15811	5.1
225.12756	5.5
227.16434	6.9
233.15605	5.0
239.14397	5.9
241.19569	5.4
243.21019	5.3
259.20609	14.9
261.22186	17.5
273.22198	7.5
277.14270	4.8
277.21704	12.3
285.22095	8.0
287.99689	4.4
289.21616	11.1
291.23257	15.4
301.21585	10.5
303.23175	27.6
309.22412	5.0
313.27231	5.0
315.23294	11.9
319.22742	14.5
323.23575	4.5
327.23196	8.8
341.24722	19.3
345.24020	7.6
351.23026	18.7
369.24255	54.0
387.25345	60.1
405.26355	58.8
423.27493	21.0
563.78711	4.4
619.25787	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	650.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
53.59189	2.1
55.01862	4.6
55.05516	10.9
57.03436	3.6
57.07069	3.5
60.75466	2.0
67.05511	40.0
69.03438	17.5
69.07073	10.8
71.04993	3.7
71.52956	3.7
73.02905	2.2
79.05149	2.2
79.05511	28.6
81.03419	21.7
81.07067	43.3
83.04991	6.5
83.08604	6.7
85.02927	15.4
91.05482	23.8
93.07049	39.9
95.04959	7.9
95.08612	100.0
97.02900	14.8
97.06529	4.1
97.10154	2.5
99.04464	4.9
100.07629	6.2
105.07050	25.1
107.04993	4.5
107.08596	24.1
109.02870	5.6
109.06522	9.9
109.10168	64.6
111.04433	5.4
113.74048	2.0
117.07027	13.8
119.08599	25.9
121.06509	3.0
121.10149	20.5
123.08053	2.8
123.11698	6.4
127.03927	6.5
128.07089	13.6
129.05530	3.0
129.07007	6.5
131.08575	18.7
133.06493	2.7
133.10149	13.1
135.08006	2.6
135.11711	12.5
137.06052	4.9
137.13173	2.9
143.08572	8.2
145.10135	16.8
147.08026	2.6
147.11714	18.0
149.09654	2.9
149.13315	7.8
151.07544	3.3
155.08568	3.0
157.10147	6.8
159.08089	3.3
159.11728	12.5
161.09613	2.6
161.13268	7.1
163.11185	3.5
169.10156	4.8
171.11691	7.1
173.13272	8.0
175.11195	11.0
175.14796	4.0
181.10071	3.6
183.11694	4.6
185.13205	5.8
187.14851	4.7
191.59128	2.2
193.12256	24.1
194.98241	2.1
211.13289	37.9
221.13239	2.9
243.21111	4.0
259.20587	5.5
261.22116	12.1
270.46896	2.5
274.15128	3.2
277.21680	8.8
279.23175	2.7
285.22070	2.3
289.21661	4.2
291.23117	3.2
301.21637	5.1
303.23187	8.4
315.23203	3.9
319.22748	3.4
327.23260	3.9
341.24872	7.4
351.23141	5.8
369.24249	25.9
387.25330	26.0
405.26392	22.5
423.27298	9.8
637.54584	2.4
659.01385	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	650.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	0.7
53.03945	1.2
55.01869	1.8
57.02413	0.8
57.03437	1.5
63.52983	0.7
67.05512	2.7
69.03426	1.9
69.07069	6.1
69.66900	2.3
69.67306	1.8
70.06585	1.3
79.05499	6.9
81.03426	12.9
85.02905	3.9
91.05485	1.8
95.04955	1.2
97.02901	2.0
97.06541	49.7
105.07063	0.9
107.04954	2.4
108.05770	1.1
109.06523	2.6
109.10164	2.1
117.07034	1.0
121.02893	0.7
121.06525	0.8
123.04442	0.8
127.03931	0.9
129.07025	1.0
131.04922	1.6
135.04387	1.1
136.05191	2.7
139.03915	14.7
139.07523	1.1
144.09126	0.6
145.06505	2.7
146.07271	1.2
147.04367	1.3
151.07559	100.0
154.86760	0.7
157.06540	4.5
158.07318	5.0
159.04404	4.9
159.08063	2.2
161.06026	3.0
163.03940	1.2
165.05518	1.8
172.08852	4.1
173.06001	8.4
174.06775	18.2
174.08206	1.3
175.03903	3.7
175.07591	1.4
177.05547	1.4
177.09132	3.2
179.07030	1.9
186.06807	2.3
187.07555	2.9
188.08356	6.3
189.05508	2.5
189.09126	43.4
191.10733	1.0
193.12070	0.8
200.08356	0.9
201.09123	55.7
202.09909	3.0
203.07033	1.1
203.10696	11.5
205.08696	0.8
207.06453	1.2
209.09587	0.8
213.09088	1.6
215.07108	1.1
217.08658	1.2
219.10194	24.7
223.07535	1.0
223.09622	1.7
229.08691	4.0
229.14401	2.2
231.10184	12.9
235.09656	18.9
235.11864	1.3
241.05098	1.6
241.08578	0.9
249.08980	1.0
249.11263	20.7
251.06953	0.9
256.07364	5.0
259.09616	0.8
261.08932	0.8
263.07043	1.3
264.07828	0.8
269.07993	1.2
270.08466	0.8
273.11255	10.1
275.10339	0.7
277.08621	2.3
278.09512	1.8
279.06406	1.0
279.10165	1.0
285.11218	3.6
286.08331	1.1
287.12848	1.0
291.06689	0.7
291.10141	1.7
293.08081	1.1
294.09048	1.9
297.11130	0.8
303.12415	2.7
305.08209	0.8
305.11746	0.8
306.08862	1.0
307.09613	1.0
308.10416	0.8
309.11279	1.4
320.10590	1.1
321.11255	1.7
323.12683	1.5
325.11093	0.9
327.12366	1.7
333.13470	7.7
335.12811	1.8
337.10736	2.5
339.12073	0.9
347.12854	1.8
350.11295	0.8
379.15439	8.4
382.14136	2.6
383.14960	1.9
391.15680	3.7
404.16345	1.3
405.17004	1.5
409.16800	0.9
423.18030	12.5
435.18149	14.0
453.19168	34.5
470.92566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
69.07066	0.6
70.06602	0.7
70.49000	0.6
71.52618	0.8
79.05502	1.1
81.03426	13.0
81.07048	0.7
84.08142	1.3
85.02911	1.3
86.09726	0.6
91.05476	2.2
93.07069	1.2
94.06557	1.2
95.05001	0.7
97.06563	2.6
105.07043	0.9
107.04976	2.2
107.08559	0.5
108.05730	1.0
109.10148	0.7
116.07111	0.9
117.06995	0.6
121.06500	1.1
130.08627	1.0
133.10165	0.6
135.04356	0.7
135.08087	0.6
136.05196	1.8
136.06161	0.7
137.05997	1.9
139.03897	1.1
145.06509	1.0
147.04417	0.6
151.07555	100.0
152.03435	2.0
157.06520	1.5
158.07256	2.6
159.07990	1.2
160.08841	0.7
161.05983	1.3
163.03871	0.8
165.05406	0.7
171.08038	0.8
172.08865	3.7
173.05980	1.7
174.06784	10.0
175.07544	1.3
176.08237	0.6
177.09102	1.6
179.07030	0.8
186.06740	0.9
186.09114	0.6
187.07579	3.5
188.08319	4.0
189.09125	45.9
191.06998	1.3
191.10692	1.6
198.09126	2.2
199.09964	2.7
200.08417	0.8
201.09109	15.6
202.09909	2.3
203.10686	7.8
205.08600	4.5
207.83896	0.5
213.09180	1.6
218.11769	0.8
219.10178	30.1
223.09734	1.0
230.11807	1.7
231.08113	0.5
231.10150	10.5
231.12251	0.9
235.09714	1.5
248.12820	3.9
249.11238	30.4
266.13895	6.9
285.11429	0.8
323.12732	0.7
333.13565	0.5
354.23291	0.6
379.15338	0.9
399.56845	0.6
419.06204	0.5
423.17999	0.7
435.17859	1.2
453.19006	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05052	0.3
58.06603	100.0
59.50267	0.2
62.51189	0.3
63.75475	0.2
65.52328	0.3
69.28403	2.5
70.06584	0.3
73.62758	0.3
74.64608	0.3
85.02936	0.6
86.07546	0.3
91.66095	0.3
108.99958	0.3
115.05441	0.4
115.36246	0.3
116.07139	0.3
132.08101	1.0
134.05995	1.0
145.04997	0.3
152.05695	1.8
160.07587	37.1
161.07954	0.3
163.03940	0.4
205.13379	0.9
236.22345	0.3
241.76242	0.3
248.15764	0.3
322.12854	8.7
367.18652	96.7
368.18863	1.2
577.80493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3024
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
54.00801	0.5
67.05495	0.8
69.32939	1.6
69.33369	3.1
77.06995	0.5
81.07095	0.7
93.07019	0.8
94.70505	0.6
95.08638	0.6
105.58324	0.6
109.10175	0.6
155.76498	0.6
363.56509	0.6
403.19214	1.4
415.19089	0.9
416.20096	0.8
417.20914	2.4
418.21588	1.0
419.22330	0.9
430.17865	1.3
431.18112	3.6
432.23828	0.8
433.23996	2.4
443.18744	0.8
444.19592	1.7
445.19904	5.6
446.21060	1.6
447.21890	1.6
458.16495	0.8
459.22342	5.0
460.22610	4.0
461.23474	4.5
473.19028	5.9
474.20145	0.7
475.25659	0.7
487.21533	2.2
489.22934	1.0
501.22806	0.7
502.23776	3.2
503.24567	6.3
505.23334	0.6
515.24841	1.5
519.23541	1.0
531.24414	1.1
533.21942	0.9
545.21863	1.0
546.26239	1.7
547.27222	12.7
561.24884	3.8
589.28192	23.1
589.37683	1.1
590.28290	0.8
607.29102	2.5
620.26587	0.8
621.31378	0.7
649.30243	100.0
650.30670	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	649.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
55.01868	2.2
55.05520	7.8
57.03438	2.1
57.07081	2.9
65.03955	1.4
67.05514	18.9
69.03431	7.4
69.07077	10.3
69.20558	9.6
71.04991	4.6
73.02936	1.5
79.05498	20.0
81.03430	9.7
81.07067	31.9
83.04974	2.8
83.08642	6.1
85.02915	4.7
85.06549	4.4
87.04450	1.5
91.05483	26.0
93.07053	30.9
93.89266	0.9
95.04984	8.0
95.08618	30.7
97.02911	6.6
97.06528	5.7
97.10216	1.4
99.04460	3.0
99.08084	1.7
103.18501	1.0
105.07039	38.3
107.04986	1.6
107.08604	29.4
109.02890	2.5
109.06525	7.3
109.10165	7.8
111.04481	1.9
111.08101	5.4
111.11737	1.2
113.05984	1.6
115.05486	2.4
115.07581	3.4
116.06239	1.1
117.07022	16.9
119.08592	22.2
121.06529	4.0
121.10152	21.6
123.08092	3.1
123.11732	4.8
125.09657	1.3
127.03915	2.9
129.07013	5.5
130.93330	1.1
131.08582	50.9
133.10133	26.3
135.08069	3.5
135.11687	11.8
137.09712	1.1
143.08568	11.0
144.09352	2.2
145.10124	23.8
147.11684	9.1
149.09627	3.6
149.13226	4.9
153.09135	3.1
155.08609	1.7
157.10144	3.9
158.10907	12.9
159.08105	1.5
159.11723	7.0
161.09587	1.9
161.13252	10.2
163.11189	2.1
163.14832	21.2
169.10089	1.7
171.11700	3.4
173.13278	100.0
175.11195	1.8
175.14787	1.8
179.14238	1.7
183.11772	1.3
189.12943	1.3
191.14325	92.0
192.14786	1.3
194.48677	1.1
195.11630	1.4
197.13228	1.6
207.13898	1.2
209.15390	17.4
213.12762	1.1
227.16420	7.2
240.58040	1.3
259.20642	1.7
261.22110	1.2
270.25696	1.0
277.21783	1.5
289.21832	1.5
291.23010	1.3
303.23178	1.9
313.59158	1.0
315.23404	1.7
351.23163	2.2
364.32272	1.1
369.24316	5.2
387.25223	5.0
405.26340	4.7
423.27490	1.6
545.34705	1.8
649.44177	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	647.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95875	0.7
57.07075	3.1
66.06577	0.8
67.05502	1.6
71.08616	2.2
71.52847	1.2
81.07069	1.8
83.08639	1.2
85.10182	1.9
85.96294	0.8
95.08622	2.0
97.10162	0.7
118.41651	0.8
135.78578	0.9
178.02866	0.8
188.97417	0.9
188.98959	0.8
219.63716	0.8
314.34009	0.9
335.21875	8.5
391.24609	3.5
448.32098	0.9
647.48621	100.0
648.48627	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	648.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55313	1.5
55.05510	4.3
57.07074	1.5
67.05508	7.2
69.03430	4.1
69.07075	4.8
71.03281	3.4
71.04980	2.2
72.08155	2.2
79.05496	10.1
81.03417	1.7
81.07069	34.6
81.50223	1.2
83.05006	2.2
83.08649	1.5
85.06548	1.4
89.75435	1.3
91.05483	11.6
93.07070	8.8
95.04998	2.2
95.08599	5.5
97.06524	2.4
105.07038	11.8
107.08600	11.0
109.06536	19.3
109.10175	5.6
111.08077	2.6
117.07031	4.7
119.08599	15.7
121.06527	2.1
121.10143	7.6
123.08081	2.8
123.11694	2.2
129.07027	3.8
131.08594	12.0
133.06575	2.3
133.10155	13.0
135.08093	6.5
135.11739	3.4
137.09590	2.2
141.06995	2.3
142.07785	1.9
143.08585	11.8
145.10121	17.1
147.08054	3.5
147.11696	8.4
149.09627	7.1
151.11217	1.6
153.09167	1.8
154.07671	1.5
155.08575	3.9
156.09354	2.3
157.10158	15.8
159.08069	2.4
159.11691	14.3
161.09660	13.7
161.13295	4.2
163.11201	3.2
168.09332	2.2
169.10147	5.5
170.10876	1.8
171.11746	7.5
173.09653	4.4
173.13284	8.8
175.11234	5.0
175.14882	2.3
177.09221	1.7
179.08524	2.2
179.10739	2.8
181.10097	4.5
183.11707	10.6
185.09634	2.6
185.13295	8.5
187.11188	2.4
187.14795	4.3
189.12740	3.5
191.10699	2.4
193.10211	4.1
193.12170	2.3
195.11676	6.2
197.13329	8.6
199.11255	3.4
199.14850	6.3
200.12091	1.3
201.12773	9.3
201.16425	3.7
203.14249	1.9
205.12038	1.3
206.10922	2.1
207.11789	2.8
208.12454	1.7
209.13300	4.4
211.14816	1.4
213.12732	3.2
213.16353	2.8
215.14278	3.7
215.17995	2.2
217.12236	1.4
219.11801	2.2
219.13795	1.9
221.13326	4.7
222.14066	1.6
223.14845	6.0
225.12762	1.8
225.16440	4.6
227.14420	3.0
229.12276	1.6
231.11662	1.5
233.13289	2.6
233.15289	2.6
235.11197	1.5
235.14928	2.8
237.16460	3.0
239.14227	1.3
239.18010	2.8
241.15894	3.1
243.13867	3.5
243.17580	6.3
245.15382	6.3
247.14848	2.6
249.16374	3.6
251.18018	1.5
255.13760	1.6
257.18872	1.6
261.18515	2.1
263.18134	1.6
265.19635	2.2
267.17459	2.2
279.20996	2.3
283.16931	2.6
283.20526	1.4
285.18585	2.9
291.17477	2.3
293.18997	2.9
299.20020	1.3
303.19659	3.9
307.16934	1.5
307.20474	2.0
309.18610	1.7
309.22101	5.6
323.20169	2.2
323.23660	3.2
325.21655	4.8
333.22232	3.5
341.24649	2.7
349.21689	2.7
351.19461	1.8
351.23157	8.5
365.24844	2.9
367.22394	2.0
369.24252	9.0
375.23169	3.1
393.24249	11.6
397.27371	1.8
411.25354	41.3
429.26074	6.9
441.30029	4.3
453.26392	3.1
465.30084	3.1
471.27484	100.0
483.30801	4.0
501.32034	6.2
516.33423	2.9
543.32965	2.1
588.39331	7.5
648.41132	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	647.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40010	1.3
53.03952	5.1
55.01864	2.3
55.05508	7.0
57.03447	1.8
57.07067	2.3
63.87500	1.3
65.03930	1.6
67.05511	21.7
69.03437	9.1
69.07078	7.7
71.05000	4.6
71.52032	1.4
71.52486	1.5
75.04485	6.4
77.03920	1.9
79.05504	22.2
81.03429	15.0
81.07060	28.9
83.04975	5.9
83.08646	3.7
85.02898	5.1
85.06544	2.9
88.87123	1.4
91.05494	18.6
93.06479	2.4
93.07052	34.6
95.04976	5.8
95.08617	16.9
97.02908	6.6
97.06564	3.6
97.10171	2.8
99.04460	10.1
99.08062	1.7
103.05478	1.7
105.07041	57.2
106.76829	1.3
107.08600	15.2
109.02887	2.9
109.06528	13.0
109.10168	12.2
111.04478	2.0
115.07590	4.1
117.07017	9.4
119.08590	100.0
121.06477	1.8
121.10154	57.3
123.08082	7.3
123.11714	3.9
125.09694	1.7
127.03926	3.3
128.06264	1.6
129.07030	2.9
130.07787	2.6
131.08563	16.2
133.06482	1.4
133.10152	11.7
135.04417	3.8
135.08052	1.6
135.11722	4.2
137.05980	1.8
137.09703	1.4
137.13391	1.4
139.11116	1.4
142.07811	1.6
143.08565	7.8
145.10133	44.6
147.08102	1.6
147.11703	21.5
149.09637	11.2
149.13261	2.9
151.07610	1.7
156.09344	6.0
157.10008	2.2
159.11671	7.9
161.13269	77.5
163.11230	2.5
163.14851	3.3
165.12773	3.8
167.10788	1.5
169.10144	1.6
171.11711	15.5
173.09700	1.4
173.13286	2.4
177.12776	1.8
179.10666	1.8
179.14322	17.1
185.13309	1.9
189.12767	24.1
197.15356	2.2
207.13815	67.7
225.14845	18.1
232.03185	1.4
232.89273	1.3
236.16515	1.5
259.20459	2.4
261.22150	5.7
265.41959	1.8
294.95102	1.4
341.24756	2.0
369.24289	2.8
387.25311	2.1
395.34555	1.4
405.26318	3.5
615.42432	3.0
647.44983	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
56.05040	7.4
57.03442	1.7
69.03433	1.7
69.50703	0.4
70.06598	2.7
71.52139	0.4
71.52549	0.5
72.08167	1.0
74.06088	100.0
79.05514	1.0
80.05003	0.8
81.03422	2.5
84.04510	3.6
84.08152	7.3
85.02922	1.3
86.06075	1.2
86.09741	0.6
88.29612	0.5
91.05479	1.8
94.04185	0.6
97.02916	2.3
98.06066	8.0
98.09728	0.4
101.14693	0.5
102.05550	5.1
103.05443	0.5
105.07040	2.1
106.02916	0.4
109.02895	7.2
109.06516	0.8
114.05547	0.6
115.05449	1.1
115.32021	0.4
116.07103	54.4
117.03393	0.4
119.04939	0.7
119.08598	0.7
120.06593	16.7
122.03653	2.3
124.03986	1.0
127.03938	1.3
128.06207	0.6
129.07039	0.9
131.04948	1.1
132.05704	0.7
133.06525	1.5
137.05991	27.2
144.06577	65.9
145.04973	2.1
147.04411	0.6
147.08061	1.0
149.05962	0.7
151.07501	0.5
155.04889	0.5
159.08064	1.0
160.05275	0.5
161.05984	4.6
162.06410	0.5
162.07626	9.5
172.05206	0.5
175.07558	5.8
182.05003	0.6
187.07538	2.3
190.07761	0.9
191.08588	2.7
196.13229	0.6
199.07489	2.1
202.07805	0.7
202.52136	0.4
203.08571	1.5
211.07561	0.4
216.08754	0.6
217.08545	0.5
218.07280	0.5
219.08107	3.4
220.08905	1.0
228.08704	2.1
231.08078	1.2
234.09775	0.9
235.07416	0.5
236.08336	0.6
240.08643	2.2
246.09735	3.3
247.07571	1.7
248.08112	0.7
251.10696	5.2
252.08493	0.6
259.07544	1.5
260.08289	0.8
263.10748	0.7
264.08063	0.5
264.10623	2.1
270.09760	15.1
276.07870	0.6
277.08804	0.9
279.10196	4.1
280.10938	0.5
288.10822	7.8
291.10303	2.2
292.10748	0.7
295.06055	0.5
296.10440	0.7
302.22989	0.5
306.11874	3.4
311.12811	9.7
323.12811	4.4
341.14032	0.7
396.84149	0.4
414.89276	0.5
460.27652	0.5
580.20667	0.7
584.16986	0.7
628.16071	1.1
646.28052	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	647.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01866	1.1
55.05516	0.4
57.03425	0.9
57.21838	0.4
61.02930	0.8
65.03940	0.8
66.04721	0.3
69.03085	0.6
69.03439	9.4
69.42436	2.4
70.06580	0.7
71.04999	2.3
73.02920	2.1
79.05496	1.9
81.03430	9.7
81.07044	0.9
82.06570	0.6
83.04994	0.8
84.08149	1.4
85.02914	25.1
86.09760	0.4
87.04478	0.7
91.03970	0.5
91.05492	3.2
92.65369	0.3
94.04192	2.2
97.02907	13.3
99.04470	15.1
103.03954	19.7
103.05418	1.9
105.07040	4.8
107.04953	1.1
109.02894	10.9
109.06525	1.2
115.03947	1.4
115.05473	2.6
117.03338	0.3
117.07030	0.9
119.04960	0.7
119.08591	2.5
121.02895	0.6
122.03664	6.0
127.03934	41.2
128.06221	1.4
128.07086	1.2
129.07007	2.1
131.04976	1.3
131.89621	0.4
132.05731	2.5
133.06505	4.1
135.04404	0.5
137.05992	100.0
138.06306	0.6
141.07019	0.8
143.04898	0.4
144.05737	0.6
145.04977	18.2
145.06433	0.9
146.03606	1.0
147.04404	1.4
147.08087	3.0
149.06009	1.6
151.03929	0.8
151.07555	1.1
155.04924	1.3
155.06058	0.5
156.05698	0.7
157.06487	0.5
159.08095	2.6
160.05219	1.6
161.06001	14.1
163.04008	0.5
163.06050	2.7
163.07579	2.1
165.06958	0.5
167.04936	0.5
167.07063	0.5
169.04976	1.2
169.06386	0.4
171.08116	0.6
172.05235	1.6
175.06145	1.1
175.07558	25.9
177.05457	0.4
179.07045	1.6
184.05276	1.3
187.06026	4.1
187.07585	9.3
189.05513	0.6
189.07082	0.8
189.09157	0.7
190.07780	2.0
191.08569	8.4
194.07173	0.5
199.05960	0.7
199.07564	6.3
202.07794	2.8
203.06985	0.9
203.08629	5.5
204.09273	0.6
205.06841	1.3
205.10226	0.5
207.08130	0.8
208.08910	1.0
216.58929	0.4
217.08644	1.4
218.07280	2.2
219.08066	12.3
220.08833	2.4
231.08107	7.0
232.08794	2.0
233.09689	0.9
234.06715	0.6
235.07600	0.7
235.11218	0.5
236.08351	2.0
237.09328	0.8
241.08627	0.4
243.08243	0.5
245.09732	0.5
247.07556	6.3
248.08360	4.2
249.05534	0.5
249.09233	1.2
250.10020	0.4
251.10699	18.7
253.08739	0.6
258.06830	0.6
259.07559	5.4
260.08292	2.6
261.09183	1.6
262.09848	0.5
263.06979	0.4
263.07916	0.4
263.10724	3.8
264.07941	1.8
265.08621	1.1
271.08118	2.8
275.07120	0.6
276.07828	2.8
277.08655	2.1
279.10178	12.6
279.39224	0.4
280.10995	1.3
281.08090	1.3
289.08954	1.0
290.09476	0.6
290.53867	0.4
291.10193	11.5
292.10953	1.2
293.08350	0.8
293.11673	0.6
295.09824	0.5
295.13373	1.0
296.10410	1.4
303.10199	0.9
307.09525	0.5
308.10440	1.1
309.11365	0.9
311.12805	40.7
321.11368	2.3
323.12820	18.9
325.14310	1.0
333.11295	1.4
335.12848	2.0
341.14117	2.0
345.11383	0.5
347.12756	0.8
353.13931	2.8
359.12671	0.9
365.13815	1.3
377.13849	0.8
383.47357	0.4
389.14059	0.8
401.13995	3.1
419.14905	2.9
437.15933	1.5
455.17233	0.5
517.94220	0.4
563.19037	0.7
581.20251	2.0
647.26855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.05517	5.4
57.07080	1.1
65.03963	1.3
66.04741	0.8
67.05513	8.1
69.07079	17.3
70.25250	0.6
70.73534	1.7
79.05507	4.7
81.03435	3.1
81.07065	28.3
83.08624	3.7
91.05497	5.9
93.07057	4.2
95.04974	0.9
95.08616	15.3
97.10183	1.6
105.07045	3.7
107.04971	5.9
107.08626	4.6
108.05761	2.4
109.06499	1.2
109.10174	14.3
111.11745	1.4
115.05447	1.5
117.07005	2.1
119.08618	2.8
121.06543	3.0
121.10166	3.2
122.03652	0.8
122.89576	0.8
123.11736	6.4
128.06203	0.7
129.07039	3.4
131.04967	2.2
131.08606	2.7
133.10144	1.2
135.04477	2.0
135.11734	2.8
136.05240	4.5
137.05981	11.0
137.12354	0.9
137.13252	4.8
139.07539	2.0
141.07059	1.2
143.04935	1.0
143.08612	2.1
145.06500	5.8
145.10175	1.1
146.07277	1.7
147.08110	1.4
147.11717	1.5
149.05980	0.8
149.13315	1.4
151.07562	100.0
154.67657	0.8
155.08611	1.0
156.05765	0.8
157.06535	3.3
158.07338	2.4
159.04416	0.9
159.08124	4.1
160.05203	1.0
160.08867	2.2
161.06009	1.8
161.09741	1.7
161.13329	0.9
162.06789	1.1
163.07599	3.5
165.05502	10.1
165.06891	1.6
165.09143	4.4
167.07076	1.8
171.08095	3.3
172.08871	2.7
173.06052	0.9
173.09689	2.1
174.06790	6.3
175.07568	9.3
176.08380	1.8
177.05559	0.9
177.09126	9.8
179.07053	2.2
179.10678	1.0
181.06502	1.3
182.07251	0.9
183.08194	0.9
184.08894	0.9
185.09648	2.4
186.06718	1.2
187.07579	4.3
187.56134	0.8
188.08301	3.7
189.09134	26.9
191.07042	2.4
191.10687	8.6
195.08092	2.3
197.09679	1.2
198.06830	0.9
199.07626	1.0
199.11246	1.5
200.08347	1.6
201.09138	11.4
202.09947	1.7
203.07117	1.0
203.10709	12.1
205.08762	2.1
205.12259	1.9
207.10109	1.3
211.11171	0.9
213.09152	1.6
214.10037	0.9
215.10645	5.0
217.08618	2.3
217.12311	3.2
219.10175	12.0
223.11151	1.3
225.09219	1.8
227.10747	2.4
229.12303	2.7
231.10176	4.1
233.11876	3.0
235.11217	1.0
238.09979	1.3
239.10670	1.6
241.12323	2.8
243.13948	2.2
249.11279	3.5
253.12254	1.5
254.09340	1.1
255.10262	1.1
257.15491	1.7
259.16946	1.2
269.08249	0.8
269.11850	1.8
269.15381	1.3
273.18619	4.7
279.10263	1.4
279.13965	0.9
283.17044	1.7
285.18567	2.9
285.21667	1.0
287.20108	1.5
291.10352	1.8
293.11996	0.9
297.11325	6.5
301.18289	1.0
304.11255	1.0
305.11783	2.5
306.12485	0.9
307.13312	1.3
309.11392	1.2
313.21719	2.7
323.12796	1.3
325.21655	1.2
335.12799	1.0
335.20218	0.9
337.14407	2.9
349.14410	1.9
351.15759	1.2
353.21030	1.0
355.15448	1.6
363.16019	0.9
365.21347	1.1
367.15457	2.4
369.16959	2.0
381.27991	3.0
385.16946	1.6
395.18927	0.9
407.29416	2.0
409.30911	1.5
433.24118	1.0
473.27628	1.0
489.33823	3.8
491.27716	1.1
503.28134	2.1
521.29333	2.4
556.35388	5.2
609.39478	1.9
627.40234	12.2
645.41553	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	643.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26683	0.3
50.87181	0.2
53.03939	0.6
55.01844	0.4
56.05034	0.7
58.06607	100.0
65.03941	0.4
67.05508	0.8
69.03421	1.0
69.27122	2.7
70.06583	1.1
71.04978	0.7
72.08150	0.9
78.04716	0.6
78.05482	0.3
79.05496	1.5
81.03415	0.9
81.07072	0.5
82.04214	0.3
82.73759	0.3
84.08124	0.7
85.02913	1.5
85.98788	0.3
86.09690	0.4
91.05496	2.6
93.07040	1.2
95.04961	0.9
95.08555	0.6
97.02905	0.8
97.06554	0.6
98.20782	0.6
99.04435	1.3
103.05471	1.5
105.03391	0.5
105.07040	2.0
106.04176	0.7
107.04941	1.6
107.08617	0.7
108.02078	0.3
109.02895	0.5
110.03661	0.3
115.05464	3.3
116.91336	0.3
117.05622	0.3
117.07021	3.4
117.63349	0.3
119.04968	0.7
121.06514	1.5
121.10143	0.7
122.03622	0.3
123.04441	2.6
124.03937	0.3
124.05199	0.9
127.03913	0.6
127.05451	0.6
131.04933	1.5
131.08583	0.4
132.05740	0.3
132.08083	1.2
133.06514	0.8
134.05919	0.4
135.04431	0.6
137.05963	1.4
142.02615	0.5
145.02847	0.7
145.06496	4.1
145.10110	0.6
146.06027	1.9
147.04427	1.8
147.08051	0.7
149.05984	1.3
149.09644	1.1
150.10085	0.3
151.03961	1.8
151.07552	0.4
152.04669	0.6
153.05463	0.9
155.06033	1.7
159.04399	0.6
160.07597	19.5
161.05981	1.0
163.03922	0.6
164.07031	0.3
165.05429	0.7
167.07063	33.0
171.06583	0.7
173.04623	0.6
173.06006	7.1
173.09529	0.3
174.09151	0.6
175.07532	0.8
176.04587	0.3
177.05515	2.2
178.05887	0.3
181.04970	15.7
184.07559	2.3
189.09120	0.4
191.07060	1.6
193.08521	0.3
201.05370	0.3
202.08658	2.0
203.06989	0.8
205.04965	1.1
205.08612	1.5
205.13501	1.8
207.06580	0.6
209.08055	0.8
212.07137	0.4
226.08682	0.5
233.08008	1.9
235.09651	2.7
244.09691	0.9
259.09814	0.4
265.56146	0.3
278.17551	0.4
279.17865	0.4
293.08020	0.4
296.18533	0.7
297.18936	0.5
325.10754	0.5
357.13321	1.5
360.15735	0.5
385.07950	0.6
385.12833	8.6
386.13324	0.3
387.14453	1.9
391.26624	0.3
399.14383	0.5
404.00531	0.3
417.15482	3.3
436.17487	0.5
505.23425	0.4
566.19904	0.6
580.21729	0.6
598.23022	0.7
611.25311	0.5
643.27686	28.3
644.29297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69656	0.3
55.05536	0.6
57.03468	0.3
61.49878	0.3
64.05839	0.3
67.05546	0.9
69.07082	0.5
69.86647	1.1
71.05019	0.9
77.76888	0.3
79.05542	1.3
81.07098	1.3
84.34943	0.3
84.41808	0.3
91.05522	1.0
93.07072	0.7
95.08657	0.6
97.44479	0.3
99.08152	0.4
105.07079	0.8
107.05061	0.4
107.08649	0.5
109.10149	0.3
119.08621	0.3
121.10248	0.4
133.10193	0.4
145.10239	0.4
184.91223	0.4
219.71475	0.3
227.82086	0.3
273.18658	0.4
396.12543	0.4
397.13290	1.2
409.13489	0.4
410.13785	2.2
411.14682	3.8
412.15347	2.6
413.16217	1.2
423.14633	1.4
424.11014	0.6
424.16385	1.6
425.16202	7.6
426.16968	5.3
427.17758	0.5
438.13214	1.7
439.13568	7.2
440.19089	2.9
441.19342	21.9
442.19513	1.2
451.18472	0.5
452.14093	1.8
453.15228	6.9
454.16199	2.4
458.15964	0.6
463.14127	0.5
465.15714	0.6
467.17242	18.6
468.17905	8.1
469.18851	10.5
481.14844	13.1
482.15540	2.8
485.18542	0.5
495.15909	2.1
496.17209	11.6
497.18088	1.6
498.19138	0.4
499.19653	0.3
508.19534	0.7
509.18546	1.1
512.20361	0.6
514.21832	1.0
522.18018	0.6
523.19757	1.2
527.23828	1.6
537.19415	0.4
542.21716	0.9
545.38257	0.4
555.22443	18.8
556.22888	0.7
568.19513	0.7
573.23181	0.3
583.21954	100.0
584.22131	4.6
587.25012	0.9
593.26398	0.5
607.29077	0.4
611.21515	1.3
615.24518	7.4
625.29578	2.3
642.45514	0.7
643.23895	27.9
643.45825	1.7
644.24524	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	0.5
69.34854	2.8
69.35270	0.7
81.06990	0.7
82.74196	0.4
156.65836	0.4
157.12691	0.4
162.88310	0.4
182.92845	0.4
305.18268	0.4
396.12225	1.0
397.13116	1.7
398.14163	0.6
409.13177	0.7
410.13702	1.4
411.14609	6.0
412.15332	3.6
413.16061	2.5
423.15021	1.0
424.10931	1.0
424.15323	1.9
425.16333	10.4
426.16937	8.1
427.17642	1.6
428.18567	1.5
437.16437	0.8
438.12372	3.2
438.18063	0.8
439.13675	13.9
440.19049	4.6
441.19342	36.7
442.19641	1.1
451.13718	0.6
452.14325	4.1
453.15433	17.7
454.16125	4.1
456.18527	0.4
457.14468	0.4
463.14102	1.0
465.15421	0.6
466.12204	0.7
466.17169	0.5
467.17154	25.6
468.17999	12.9
469.18933	11.4
471.16656	0.8
478.16141	0.6
479.16058	0.5
480.17203	0.8
481.14865	14.6
482.15182	2.8
485.18195	0.7
494.17725	0.5
495.15915	3.4
496.17258	12.4
497.17978	1.4
498.18909	0.9
499.19794	1.2
508.19135	0.6
509.18442	2.2
512.20544	1.5
514.22644	2.4
522.18268	0.8
523.19635	1.6
525.97186	0.5
527.23407	2.5
528.24097	0.5
540.19800	0.5
542.21704	1.2
551.19373	0.6
555.22485	28.8
556.22974	0.6
565.33154	0.5
568.19519	0.7
583.21967	100.0
584.22339	4.3
587.25037	1.8
611.21344	1.5
615.24579	14.0
616.24872	0.8
643.24017	79.3
644.24042	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	643.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.6
53.03955	1.3
54.44770	0.6
55.01885	2.1
55.05519	0.7
64.35557	0.5
65.03946	5.0
66.04729	0.6
67.05508	2.7
69.03440	1.3
70.06597	1.0
70.91183	0.7
70.91519	0.8
71.01365	1.6
75.04478	0.5
78.04706	1.6
79.05501	5.2
81.03429	4.8
81.07073	1.7
82.04214	2.2
83.04981	0.7
84.08161	0.8
85.02921	4.2
91.05484	6.0
93.03409	1.6
93.07040	1.3
94.04171	0.7
95.04996	4.6
97.06554	2.2
99.04495	0.8
103.05478	16.0
105.03407	2.0
105.07037	5.8
106.04185	1.2
107.04969	8.4
108.02123	1.3
109.06533	2.7
110.03727	2.8
110.04458	0.6
111.04454	2.4
115.05467	5.3
117.07023	4.7
118.04188	4.3
119.04966	1.8
119.06144	0.7
119.08593	1.8
121.06532	1.8
122.03695	0.9
123.04446	4.7
124.05211	2.1
125.06004	3.7
129.07007	1.7
130.04167	1.4
131.04941	18.3
131.08598	1.7
132.05713	1.3
133.02875	2.8
133.06503	8.0
134.03667	0.7
135.04425	1.1
135.08096	1.8
137.06001	7.5
138.03125	1.3
139.03899	0.7
139.07547	0.6
140.04707	2.0
142.02664	2.7
143.04938	0.9
144.05740	1.7
145.06506	5.8
146.03647	0.7
147.04410	3.3
147.08041	2.4
148.05209	10.5
149.06006	2.9
151.03922	5.0
151.07579	2.3
152.04692	1.5
153.05479	6.1
154.06224	0.7
155.05974	1.1
155.07051	2.5
156.05728	1.4
157.06551	1.4
158.07359	0.7
159.04381	0.7
159.08076	2.1
160.05232	1.1
161.06000	8.9
163.03897	0.9
163.07564	17.4
165.05495	6.6
165.09120	1.3
166.06203	1.3
167.07062	55.4
171.04404	0.8
171.06535	2.3
171.07877	0.6
173.06026	8.1
175.07581	3.1
176.04672	2.4
177.05489	3.4
177.09137	1.2
179.07066	1.8
179.08524	1.2
180.07817	1.5
181.04977	100.0
182.05441	0.6
187.07561	4.3
190.06332	1.4
191.07050	88.1
193.05006	4.3
193.08624	3.5
195.06563	4.8
197.06194	0.6
197.08142	1.5
199.07626	0.8
201.05444	1.6
203.07106	3.3
205.08585	5.9
207.06479	5.8
207.08076	0.7
207.10168	2.2
208.07291	3.9
209.06328	0.6
209.08089	3.1
211.07567	0.7
213.05418	0.8
215.07063	0.8
217.08557	3.4
219.08260	0.9
219.10156	5.9
221.06036	0.8
221.08057	2.5
225.07573	17.8
226.08336	2.5
231.06526	1.0
233.08067	7.1
235.07550	1.6
235.09666	8.5
236.08257	0.7
241.08603	0.9
245.08197	2.2
247.07483	0.8
247.09717	0.8
252.07817	0.9
257.07941	0.7
263.09183	17.6
265.08365	0.7
265.10959	0.7
267.10159	2.6
279.10107	1.1
281.08109	0.8
295.09644	1.3
297.11124	1.7
307.09570	1.1
308.06668	0.6
309.07468	0.7
311.12933	0.8
325.10699	3.6
327.12103	1.1
329.10129	1.9
329.13766	1.1
331.11694	1.3
335.09039	0.6
337.10638	1.0
339.12411	1.7
353.10184	0.7
357.13406	5.6
359.14795	1.1
365.53821	0.8
367.11679	2.2
369.13217	1.4
371.14737	1.2
381.13318	2.4
385.12793	10.8
387.14273	2.2
399.14456	3.6
417.10135	0.8
417.15436	13.4
451.22250	0.7
643.22705	0.8
643.45526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.1
57.07081	31.3
67.05508	27.3
69.07076	12.1
71.08632	21.0
79.05505	14.1
81.07063	28.6
83.05000	8.6
83.08627	14.6
85.10201	12.0
91.05472	14.1
93.07047	14.6
95.04983	5.3
95.08614	21.8
97.06499	7.4
99.08145	5.6
99.41870	3.9
107.08595	9.8
109.10173	8.4
121.10188	3.5
131.08546	4.0
133.10147	6.6
149.09560	4.1
149.13326	5.2
151.11218	7.2
168.30605	3.8
187.09549	4.0
269.17508	11.1
274.10995	3.7
277.21790	4.3
313.27426	26.6
351.25357	10.7
507.40524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16085	1.4
53.03945	5.2
55.01873	2.7
55.05512	7.9
57.03444	6.3
57.07082	6.3
61.02921	7.1
67.05504	12.9
68.99795	2.6
69.03436	35.4
69.07072	8.2
69.37682	8.4
70.06594	4.4
71.04996	4.9
73.02914	6.0
79.05499	2.8
81.03429	24.6
81.07066	32.9
83.01334	2.1
83.04963	1.3
83.08630	11.2
84.08144	2.6
85.02913	100.0
87.00840	49.7
87.04482	2.6
91.03972	1.2
91.05481	2.0
93.07041	2.2
94.69308	1.3
95.06084	1.6
95.08620	43.6
97.02901	43.2
97.03532	2.5
97.10183	12.1
99.04468	13.9
105.01875	98.4
107.08587	3.1
109.02893	36.1
109.10168	59.1
111.04433	2.2
112.08765	1.9
115.03961	1.7
115.11266	1.6
117.01873	2.4
121.10133	3.5
122.41523	1.1
123.11718	66.0
127.03930	86.0
129.01871	2.1
131.08504	1.6
135.11700	2.0
137.05968	4.1
137.13277	18.8
140.03415	3.1
145.04965	36.6
147.02884	1.4
151.07603	1.3
152.78790	1.4
159.02838	7.6
161.05986	1.8
163.06085	1.2
173.45834	1.3
177.16367	6.4
179.17972	62.3
180.08667	1.7
189.03955	1.9
197.19020	62.6
207.17291	1.4
213.03896	8.2
220.04692	1.4
231.05019	50.3
249.06079	52.2
286.17532	1.5
287.20151	2.6
305.21057	2.4
365.23135	1.7
366.77719	1.3
391.21112	4.4
409.22342	4.4
427.23315	10.9
445.24271	5.0
472.20697	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.3
53.46370	0.3
59.92409	0.2
68.05035	0.8
69.19019	2.3
69.19428	0.3
70.06597	100.0
81.03431	1.1
81.07109	0.3
85.02956	0.3
91.05494	0.5
94.04188	0.3
95.04914	0.3
97.02920	0.8
98.20708	0.5
103.05488	0.4
105.07059	0.6
107.04983	0.4
107.63792	0.3
109.02887	3.6
111.10110	0.3
112.07613	89.8
113.07983	0.3
114.05548	0.8
115.05472	0.7
116.07095	2.0
122.03672	1.0
127.03909	0.5
127.22262	0.2
128.06207	0.4
129.07005	0.3
131.04964	0.3
132.05714	0.3
133.06516	0.8
137.05989	10.8
140.07074	54.3
147.08034	0.3
151.03867	0.4
151.07536	0.3
158.08138	9.1
159.08022	0.3
161.05986	1.9
167.07054	0.3
175.07570	2.1
187.07553	1.8
190.07823	0.3
191.08524	1.6
199.07553	1.1
200.09122	0.3
202.07782	0.3
203.08533	0.8
212.09169	0.7
218.07222	0.7
219.08075	2.7
220.08897	0.5
230.10196	0.9
231.07942	0.7
236.08365	0.4
240.08751	0.4
242.10216	1.0
247.07587	1.2
248.08292	0.6
249.09309	0.3
251.10698	2.8
257.90924	0.2
258.09753	0.4
259.07489	0.4
260.08374	0.4
261.08994	0.2
265.08734	0.3
266.10248	2.9
268.10959	0.3
279.10135	2.3
284.11295	7.0
291.10150	0.7
292.10953	0.3
302.12375	1.9
302.25601	0.3
311.12775	6.0
323.12735	0.8
401.13721	0.6
453.69644	0.3
482.36191	0.3
587.76605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.8
61.02924	0.9
61.38426	0.5
69.03434	0.4
69.63332	2.6
70.06598	0.6
71.22224	0.4
75.90781	0.4
77.00369	0.4
79.05473	0.5
81.20367	0.4
85.02911	2.4
91.05471	0.6
93.07041	1.5
95.04965	0.7
97.02884	0.6
103.05479	8.6
107.04937	1.9
109.02881	0.5
109.04589	0.5
120.08114	100.0
121.02873	1.5
121.08482	0.7
123.04475	0.9
127.03870	0.4
131.04910	3.7
136.06262	0.6
137.06015	1.6
139.03955	0.6
145.04939	0.5
147.04486	0.8
149.05997	2.1
151.03932	1.1
152.77199	0.5
153.01883	1.0
159.04422	0.6
160.07594	15.2
161.07939	5.8
163.03952	1.6
165.01825	0.8
165.05472	1.2
166.08652	45.3
175.04051	0.5
177.10283	2.7
178.10573	0.9
181.05006	1.3
187.03905	1.6
189.01871	1.4
191.03363	1.0
193.05031	1.2
195.02917	3.3
201.05452	0.7
203.03363	1.6
205.05009	1.4
207.02881	6.9
207.06520	1.0
209.04303	0.8
215.03439	2.1
217.04942	0.6
219.02927	3.8
221.04550	1.5
223.05931	0.6
225.03935	2.8
227.03378	0.6
229.05016	2.1
231.02899	1.5
233.04456	5.8
235.06117	0.6
237.03979	11.3
239.03326	0.5
243.02898	2.6
245.04492	1.5
247.02277	0.6
247.06168	3.1
249.03990	2.8
251.05623	0.8
255.02721	0.7
257.04483	3.2
259.06006	1.3
261.03970	14.7
263.05511	1.4
265.03464	0.8
267.02792	0.7
271.06006	1.9
273.03931	5.6
275.05505	7.4
279.05020	9.1
285.03906	4.0
287.05682	0.9
291.05029	3.2
299.05508	1.5
303.05017	7.6
309.06146	8.1
315.04761	0.8
317.06601	1.3
321.06082	2.8
327.05026	2.1
335.07498	0.6
339.07159	26.5
345.06064	2.2
357.08591	2.5
363.07126	20.9
369.06262	0.6
375.07095	5.4
381.08252	1.0
387.07150	4.2
393.08069	4.8
405.08157	9.0
423.09274	8.4
441.10355	10.5
459.11310	2.0
602.64020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2972
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
55.05493	0.8
67.05502	1.9
70.21346	0.6
70.45977	1.8
79.05482	2.2
81.07064	1.7
86.24509	0.6
91.05469	1.1
93.07073	1.8
95.08585	1.4
98.21156	1.3
105.07032	1.6
107.08685	0.6
109.10165	0.7
117.03352	0.6
117.07005	0.9
119.08610	0.9
125.09557	0.6
130.00967	0.6
131.08632	0.7
135.11694	0.7
140.09286	0.6
157.97612	0.6
173.13248	0.6
174.72641	0.6
196.09946	0.7
209.10921	0.6
210.11546	0.6
211.12381	1.1
212.13234	0.8
217.48157	0.6
223.12292	1.1
224.13258	1.1
225.13885	1.8
227.11876	0.9
235.12401	0.7
238.14822	1.1
239.15381	1.3
249.13820	0.7
275.20032	1.0
285.11984	0.7
304.14478	0.7
313.15707	1.5
314.16226	0.6
318.16064	1.2
319.17035	0.7
332.17822	0.8
334.19318	0.8
343.18524	0.7
346.19342	1.4
363.24960	0.7
371.85892	0.8
374.18991	0.8
377.17758	0.7
384.17242	1.9
389.17572	0.8
391.19394	0.9
392.19736	1.5
393.20596	1.2
402.18268	0.9
403.19092	1.6
404.20065	1.9
405.21268	1.1
406.21436	2.7
407.22070	3.9
412.16510	1.0
415.19116	1.8
416.19986	2.3
417.20895	3.8
418.21613	1.9
419.22641	2.9
420.23029	2.4
421.23727	3.9
422.24640	4.0
426.18027	0.9
429.20996	1.8
430.21756	1.5
431.22452	2.3
433.18582	0.6
433.24203	5.1
434.24680	4.1
444.19287	2.7
444.24185	1.1
445.19641	1.6
445.24332	2.1
447.25897	0.9
449.23474	1.3
458.20639	0.8
459.21347	4.8
460.22803	1.8
462.20773	3.5
463.21115	3.9
472.22537	1.1
473.23544	3.4
474.24408	1.0
475.21237	3.7
476.21872	2.0
477.22870	12.5
487.25009	4.5
489.22870	1.5
490.23709	1.2
491.24628	3.5
495.27487	1.0
503.24548	1.2
505.26019	1.9
506.26883	2.8
515.23779	1.3
519.27527	2.9
531.24323	1.0
532.24799	1.1
535.23773	2.4
545.25653	6.5
546.26178	1.3
547.27161	12.6
549.25085	8.8
550.25879	12.6
563.26611	2.5
564.27295	2.3
577.27948	1.1
579.29822	6.7
591.25977	9.6
605.27631	15.1
609.27032	9.1
623.28693	100.0
624.29187	1.9
641.29785	7.1
641.40009	0.7
641.44733	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2975
Annotation	Crooksiine
Peak:m/z	Relative Intensity
52.50866	0.7
55.01875	0.8
55.05500	1.2
55.73055	0.6
63.98011	0.7
67.05495	3.0
69.07063	1.1
71.05008	1.1
71.52383	0.8
73.65990	0.6
79.05495	2.4
81.07053	2.9
91.05481	3.2
93.07043	1.5
95.05008	1.3
95.08604	1.3
97.06543	0.8
105.07046	2.5
107.08620	0.9
109.10152	0.9
119.08604	1.2
121.10135	0.9
133.10085	0.9
145.10144	1.4
161.13254	0.9
171.11823	0.7
185.10789	1.1
188.03488	0.8
197.10753	1.6
198.11491	0.8
208.11386	0.8
209.10793	1.3
210.11577	1.2
211.12390	2.8
220.10228	0.7
221.10864	1.0
223.12396	1.2
224.13170	1.7
225.13963	3.0
227.12010	1.0
235.12331	0.8
237.10374	0.7
237.13974	1.5
238.14728	1.3
239.11847	1.5
239.15501	2.7
248.13092	0.8
249.13988	1.5
251.15465	1.1
263.11719	0.7
271.14413	1.4
275.15259	1.0
275.20193	2.2
276.14993	1.1
277.15860	1.0
280.11731	0.7
290.16647	1.4
292.18192	1.3
302.16711	0.8
304.14734	0.7
304.18164	1.1
305.15552	0.9
305.18872	1.5
307.10788	0.8
310.56009	0.6
312.15329	0.6
313.15543	1.8
314.13071	0.7
314.16397	1.0
318.16122	1.6
319.16873	1.4
321.12488	1.0
330.16068	1.0
331.17368	0.9
332.17661	1.7
334.19315	0.9
342.15875	0.8
343.17548	0.7
344.17633	1.6
346.18958	0.8
358.19220	0.7
363.25366	0.9
369.15030	1.1
370.15363	1.5
374.18631	0.9
375.19833	1.1
384.17270	2.7
389.18143	0.7
392.20081	4.1
393.20779	2.4
403.19479	1.0
404.20200	1.6
405.21072	1.4
406.21402	4.3
407.22342	6.4
408.23090	1.5
412.16586	3.0
415.19696	0.9
417.21005	1.8
418.21820	1.2
419.22311	1.6
420.22772	2.2
421.23892	6.0
422.24448	9.4
426.18213	1.4
427.19058	1.2
429.21191	1.6
431.18130	1.1
431.23111	1.1
433.24310	1.5
434.17422	1.7
434.24521	6.7
435.21933	1.5
443.22363	0.8
444.18890	4.6
445.24551	1.4
448.19199	1.6
449.23572	1.7
450.21774	0.7
459.21936	1.4
460.22977	1.6
461.23947	1.1
462.19904	3.1
463.21210	8.7
473.23801	1.5
474.24731	0.7
475.21564	3.8
476.20605	2.3
477.22946	5.8
485.23859	1.2
487.25000	1.3
489.23175	1.0
490.20621	0.8
491.24640	2.3
494.27225	1.8
495.16397	1.4
495.27679	2.1
503.21008	0.8
505.25903	0.7
508.22263	1.5
515.24585	1.0
518.23376	0.8
519.27197	0.8
520.20618	1.7
521.25507	1.3
522.26813	0.9
523.26788	1.1
531.23840	1.2
534.22253	1.3
535.24451	1.3
545.25616	8.9
547.27130	8.9
549.25055	16.0
550.25824	4.3
559.23511	1.1
561.21539	2.1
563.26508	5.3
564.27539	1.1
565.27606	1.1
576.23615	1.0
577.24078	1.2
579.29730	2.0
591.26093	40.0
592.26160	1.0
595.29236	1.6
605.27606	5.9
609.27008	16.1
623.28693	100.0
624.29034	2.6
641.29639	19.4
641.41333	1.0
641.44971	1.0
642.22809	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	641.2973
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
55.05512	1.9
61.82529	0.5
65.17506	0.7
67.05519	2.8
69.07057	1.3
69.08551	0.6
71.08646	0.7
71.52474	0.5
71.52866	0.8
76.00667	0.7
79.05501	3.1
81.03413	0.6
81.07068	3.8
83.04993	1.1
83.08656	0.8
91.05484	2.9
93.07062	2.1
95.08618	1.7
97.06519	0.7
97.53271	0.6
100.49362	0.6
105.07035	1.8
107.08625	1.3
117.07074	1.1
119.08599	1.8
121.06537	0.9
121.10162	1.3
131.08580	1.4
133.10164	1.7
142.88695	0.6
143.08597	0.7
145.10143	0.7
147.08044	0.8
147.11708	1.2
159.11871	0.7
171.04750	0.6
171.11794	0.7
194.74719	0.6
203.71968	0.7
204.59763	0.6
225.14177	0.7
237.13889	0.8
259.20364	0.6
275.20224	1.4
289.18091	1.0
290.16592	0.9
291.19489	0.8
305.19214	0.6
373.12326	0.6
389.17734	0.9
391.19681	0.7
401.18063	1.0
402.19028	0.9
403.19193	2.8
404.20059	0.9
415.19342	2.2
416.19910	2.5
417.20993	3.5
418.21756	2.0
419.22464	1.2
420.23428	1.0
421.24158	0.9
429.20898	2.5
430.21466	1.1
431.23108	3.1
433.24045	5.6
434.24820	1.1
435.21799	1.6
444.23187	2.0
445.24023	3.3
446.25049	1.2
447.18356	1.4
447.25757	1.4
449.23273	1.6
458.25592	0.9
459.21683	2.3
459.26733	0.9
460.22772	1.9
461.19357	0.8
462.20432	3.2
463.21228	4.7
473.23880	2.9
474.24329	2.4
475.21408	6.0
476.22086	2.3
477.22986	13.6
485.23627	0.9
487.25128	5.2
489.22891	1.9
491.24451	3.7
503.24414	1.3
505.25906	2.6
506.26956	2.7
517.21790	0.7
518.23639	1.1
519.27490	2.3
520.20801	0.7
523.26929	0.8
525.36310	0.7
529.34705	0.7
532.25244	1.2
535.23883	2.7
545.25537	7.9
546.26416	1.0
547.27136	15.7
549.25000	9.6
550.25848	14.6
563.26196	3.2
564.27271	2.1
577.28632	1.1
579.29779	6.7
581.27325	0.8
591.26044	12.6
605.27655	18.9
606.27844	1.0
623.28687	100.0
624.29022	2.0
641.29144	1.7
641.44110	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	641.2971
Annotation	Crooksiine
Peak:m/z	Relative Intensity
54.12827	0.3
55.01867	0.4
55.05510	0.4
66.72076	0.3
67.05505	0.4
69.03436	15.4
71.27584	0.5
79.05482	1.0
81.03414	1.1
81.07078	0.4
83.04986	3.4
91.05469	0.8
93.07044	0.8
94.04211	0.4
95.04991	0.7
97.02911	0.4
98.43470	0.4
99.04462	8.0
105.07063	1.1
107.04942	0.6
107.08651	0.5
111.04460	2.1
113.06029	0.5
115.05447	0.8
117.07016	0.5
119.04986	0.5
121.06499	0.4
122.03661	0.6
123.04420	0.8
125.02345	1.7
129.05496	13.2
131.04965	0.9
131.08592	0.4
133.06532	1.0
135.04428	0.3
137.05988	18.1
138.03137	0.4
145.06480	0.5
147.04549	0.5
147.08118	0.5
151.03917	5.5
151.05029	0.3
155.03413	2.6
157.06558	0.7
160.05177	0.5
161.05954	1.9
167.03438	1.1
173.06033	0.5
175.07526	1.9
177.05542	0.6
187.07533	0.7
189.05556	0.9
189.09158	0.8
203.07072	0.5
205.08667	0.7
207.08279	0.4
215.07056	0.4
217.05013	0.4
219.06442	0.7
233.65262	0.3
235.06052	1.2
247.06056	1.2
251.05537	0.4
265.07047	2.2
275.20166	0.4
283.08228	0.5
299.12842	0.6
309.11377	0.6
327.12363	1.9
349.04855	0.4
356.13480	0.4
357.13425	3.6
371.14987	0.5
377.17578	0.9
378.18445	0.6
379.19305	0.7
390.18103	0.5
391.19284	1.5
392.20352	0.9
393.21130	1.8
405.16818	2.0
406.18024	1.3
407.17786	0.6
407.22778	4.5
408.22952	0.9
418.17352	0.6
419.18494	3.0
420.19324	2.3
421.20377	3.6
423.21802	1.2
432.19717	0.5
433.20392	4.2
434.21356	3.4
435.22021	6.6
436.22620	1.4
447.21896	1.6
448.23047	0.4
449.19614	7.9
449.24725	0.6
450.20630	0.7
458.66876	0.4
461.23398	0.6
462.20657	0.8
463.21033	3.3
464.22092	1.6
465.18622	0.5
467.24567	0.8
477.22629	1.1
479.21054	1.5
481.22043	2.0
493.21811	2.5
494.22916	2.8
495.23907	2.6
496.24924	0.5
507.24194	1.3
509.25882	0.5
521.25684	11.4
522.26312	0.5
523.26953	0.9
535.23486	0.7
539.22223	1.8
549.24945	1.0
553.26306	0.8
563.26349	1.1
575.19397	0.8
581.27667	22.2
582.27692	0.6
593.19940	0.7
612.25690	0.5
613.30450	0.6
641.29724	100.0
642.30005	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	641.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.05510	2.0
57.03439	1.7
57.07079	6.2
63.39699	0.4
67.05511	6.8
69.07074	3.4
70.64288	1.5
71.04968	0.7
71.08632	3.9
79.05494	4.7
80.05833	0.5
81.07065	7.2
82.07417	0.6
83.04995	1.5
83.08628	2.1
85.06566	0.6
85.10195	1.8
89.06020	1.2
91.05486	4.2
92.05811	0.4
93.07053	5.7
95.04939	0.9
95.08617	4.2
97.06548	1.1
97.10187	1.2
105.07030	2.7
107.04996	0.6
107.08616	3.5
109.10176	2.7
117.07072	1.5
119.08608	2.7
121.10165	1.4
123.11725	0.5
131.08594	1.9
133.10153	1.7
134.10526	0.5
135.11743	1.1
143.08620	0.5
145.10141	1.1
147.11682	0.6
149.09644	0.9
149.13313	1.3
157.10190	0.6
159.11726	0.8
171.11748	0.6
177.12909	0.5
195.13910	0.7
255.15944	1.9
257.18970	1.1
269.17404	2.2
275.20114	2.6
276.20499	0.7
313.27335	8.1
314.27893	2.3
349.23947	1.3
350.24289	1.0
387.15836	0.5
399.15787	0.6
401.17764	1.7
402.18365	1.1
403.18976	0.8
413.17697	0.7
415.19397	1.4
416.20486	1.2
417.20795	1.2
427.19641	0.6
429.16965	1.5
429.21597	1.2
431.23059	1.1
436.14865	0.6
443.18109	1.2
443.23245	0.8
444.19083	1.4
445.20377	1.7
451.12787	0.9
451.18195	0.6
452.17648	0.7
453.18402	1.1
458.20856	0.7
459.21683	7.0
460.22739	1.7
464.13876	0.8
465.14444	3.4
467.20285	2.5
471.21762	0.6
473.23517	1.0
479.16211	9.8
480.17319	2.0
481.18015	1.8
485.23370	1.6
487.25095	0.9
493.17896	3.2
493.38983	1.4
494.18771	6.4
494.39005	1.3
495.19519	6.1
506.18427	0.6
507.19684	1.5
507.40460	7.1
508.40729	4.1
519.24109	0.6
521.21368	1.5
523.18506	0.6
531.23975	0.7
539.18347	3.2
545.25525	4.8
547.26886	1.6
547.43561	0.6
548.44000	0.8
553.20728	1.0
566.21106	0.8
581.23206	24.0
587.47052	1.0
588.47131	0.7
605.27649	1.6
606.28467	0.6
609.22809	0.9
641.25293	100.0
642.25397	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01887	2.3
55.05516	1.6
56.49900	1.0
67.05508	3.6
68.99798	1.2
69.03438	44.2
69.07068	1.4
70.06608	1.7
71.52334	1.1
74.82751	1.0
79.05497	3.5
81.03416	4.8
81.07076	3.4
83.04984	10.7
91.05503	5.9
93.07046	3.4
95.04994	2.6
95.08625	1.5
99.04469	21.0
103.05486	2.0
105.07043	6.5
107.04954	2.5
108.15501	1.0
109.06567	2.0
109.10194	1.2
111.04477	8.0
113.06007	1.5
115.05457	2.6
117.07044	4.0
117.61467	1.3
119.04952	1.1
119.08582	1.5
121.06512	1.8
121.10191	1.1
122.03678	2.9
123.04454	1.3
125.02383	4.5
129.05501	32.0
129.06982	2.3
131.04961	3.1
131.08623	2.1
131.84772	1.0
133.06516	3.6
133.10147	2.1
135.04437	1.6
137.05992	45.8
138.03136	1.5
143.04965	3.0
145.06511	3.9
149.06056	1.3
149.09618	1.1
151.03937	20.2
151.05067	1.5
151.07489	1.6
155.03375	7.7
157.06502	1.8
157.10173	1.3
159.04478	1.7
160.05214	1.2
161.06032	7.3
163.03857	1.6
165.01736	1.1
165.05592	1.6
167.03462	2.6
173.06029	1.9
175.07576	7.8
177.05478	2.2
179.77721	1.0
187.07596	3.3
189.05519	4.3
189.09134	4.5
191.07132	2.3
193.04944	1.5
203.07106	1.7
205.05087	1.3
205.08688	3.2
217.05042	3.1
219.06421	1.8
219.08261	1.2
233.08147	2.4
235.06055	4.0
247.05901	5.2
247.36479	1.2
253.07115	1.4
265.06955	9.0
269.08191	1.3
275.20084	2.0
277.08813	1.5
279.10248	1.7
299.12817	1.3
309.11383	3.1
321.11285	1.3
325.10684	1.2
327.12396	3.9
339.12375	3.4
346.61655	1.1
356.12579	2.0
357.13370	15.4
371.15207	2.8
393.21213	1.3
405.17050	2.5
407.22369	3.0
419.18823	3.2
420.19623	1.5
421.20389	3.0
433.20294	3.0
434.21228	4.1
435.21918	7.9
449.19571	9.0
462.20569	2.1
463.21527	4.1
464.22040	2.0
466.23932	1.1
476.21790	1.6
479.20236	2.1
481.22586	1.4
493.22452	1.7
494.23184	2.0
495.24069	4.4
507.24002	5.3
521.25897	6.3
535.23145	4.9
543.37292	1.3
545.18494	1.4
545.26434	1.2
549.25037	1.9
567.25934	1.5
575.19202	2.9
581.27820	24.5
581.36682	1.0
593.20386	4.4
595.25488	4.2
609.27106	1.9
623.43549	1.6
641.29779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1714
Annotation	Isorhamnetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
53.03952	0.1
55.01870	0.1
57.03440	0.3
61.02931	3.2
65.15534	0.1
69.03428	0.6
69.39142	0.8
69.39538	0.3
70.06579	0.2
73.02921	0.8
81.03410	0.2
83.25902	0.1
85.02910	3.3
86.09731	0.1
91.03952	1.6
92.02634	0.4
93.03397	0.5
97.02901	1.6
99.04464	0.2
109.02868	0.2
111.00797	0.3
114.10688	0.1
121.02887	0.7
126.03204	0.1
127.03899	0.5
137.02321	0.2
139.03880	0.4
145.04980	0.4
151.03893	0.8
153.01830	4.8
163.03937	0.3
165.01854	0.5
173.06039	0.2
177.05463	0.4
198.41678	0.1
201.05452	0.5
203.03348	0.2
217.04959	0.5
218.05742	0.4
219.02876	0.2
228.04211	0.9
229.04976	1.7
231.02829	0.2
243.06461	0.2
245.04456	0.6
246.05244	1.4
257.04483	1.6
260.03183	0.2
261.07379	0.3
271.06079	0.2
271.74078	0.1
273.03973	1.1
274.04758	3.6
284.03207	0.2
285.03998	2.6
288.06244	0.2
301.03494	0.2
302.04224	12.4
303.04639	0.2
317.06558	100.0
318.06900	1.0
359.07538	0.2
383.07614	0.2
479.11856	11.5
559.38379	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	641.1718
Annotation	Isorhamnetin 3-laminaribioside
Peak:m/z	Relative Intensity
51.07139	0.2
53.03953	0.2
55.01860	0.2
56.72114	0.2
57.03428	0.4
59.04966	0.2
61.02923	0.7
69.03437	1.9
70.06588	0.5
70.44660	0.6
71.04996	0.3
73.02922	0.3
78.17755	0.1
79.05499	0.2
81.03414	1.1
84.08192	0.2
85.02915	4.7
87.04420	0.2
91.03948	0.3
91.05475	0.2
92.02633	0.4
93.03394	0.3
95.36320	0.1
97.02905	2.0
99.04460	0.3
99.45154	0.2
103.05444	0.2
104.03466	0.2
104.62687	0.2
105.07049	0.7
107.04991	0.2
109.02894	0.5
112.63696	0.2
117.31657	0.2
121.02856	0.6
123.04391	0.4
127.03952	0.9
133.06519	0.5
135.04372	0.2
139.03912	0.9
145.04929	0.6
147.04454	0.4
151.03935	1.1
153.01830	4.6
161.05989	0.7
162.06366	0.3
163.03949	0.4
165.01862	0.6
165.05530	0.2
168.00974	0.2
177.05370	0.4
181.05064	0.2
183.02969	0.2
193.08630	0.9
194.08978	0.6
200.04666	0.2
201.05449	0.6
203.03410	0.4
217.04953	0.3
218.05666	0.3
228.04195	0.6
229.04958	1.3
231.03072	0.2
241.50621	0.2
243.06659	0.2
245.04509	0.7
246.05261	1.0
252.08701	0.2
257.04449	1.7
260.03146	0.2
261.07553	0.3
271.06110	0.5
273.03992	1.4
274.04736	3.7
284.03229	0.3
285.03989	2.3
297.03763	0.3
299.05316	0.2
302.04242	13.2
317.06583	100.0
318.06970	0.9
359.07642	0.2
429.12021	0.2
479.11856	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	641.1717
Annotation	Isorhamnetin 3-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03949	0.3
55.01867	0.5
57.03443	0.7
61.02929	1.9
65.03944	0.2
68.99793	0.2
69.03438	2.1
70.06603	0.3
70.23010	0.1
70.31007	0.1
71.05009	0.3
73.02895	0.6
78.02439	0.1
79.05499	0.2
81.03428	0.8
81.07069	0.2
84.91379	0.2
85.02916	9.2
85.11337	0.1
87.04478	0.2
91.03971	0.9
92.02621	0.6
93.03402	1.0
97.02900	2.9
99.04463	0.6
107.04952	0.2
109.02874	0.7
109.30775	0.2
111.00780	0.2
113.67592	0.2
121.02862	0.9
126.03151	0.4
127.03938	2.1
135.04477	0.3
137.05898	0.2
139.03917	0.5
145.04965	2.1
147.04427	0.2
151.03918	1.1
153.01843	6.5
163.03941	0.4
163.06030	0.5
165.01819	0.5
173.06133	0.2
177.05460	0.5
179.03380	0.2
183.02917	0.2
201.05479	0.8
203.03445	0.4
205.05124	0.2
207.06509	0.3
217.04987	0.7
218.05762	0.6
219.02940	0.2
228.04121	0.7
229.04982	2.1
231.02913	0.3
245.04427	1.1
246.05292	1.5
257.04504	1.8
260.03162	0.3
261.07642	0.4
271.06055	0.4
273.03879	1.6
274.04758	3.7
284.03094	0.4
285.03973	2.7
299.05606	0.2
302.04242	11.6
303.04752	0.2
317.06583	100.0
318.06799	0.7
329.06534	0.6
333.06046	0.6
340.05997	0.2
350.46295	0.2
359.07593	0.7
383.07672	0.3
435.74942	0.2
479.11981	0.3
641.24597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
55.01867	0.5
57.03443	0.7
61.02929	1.9
65.03944	0.2
68.99793	0.2
69.03438	2.1
70.06603	0.3
70.23010	0.1
70.31007	0.1
71.05009	0.3
73.02895	0.6
78.02439	0.1
79.05499	0.2
81.03428	0.8
81.07069	0.2
84.91379	0.2
85.02916	9.2
85.11337	0.1
87.04478	0.2
91.03971	0.9
92.02621	0.6
93.03402	1.0
97.02900	2.9
99.04463	0.6
107.04952	0.2
109.02874	0.7
109.30775	0.2
111.00780	0.2
113.67592	0.2
121.02862	0.9
126.03151	0.4
127.03938	2.1
135.04477	0.3
137.05898	0.2
139.03917	0.5
145.04965	2.1
147.04427	0.2
151.03918	1.1
153.01843	6.5
163.03941	0.4
163.06030	0.5
165.01819	0.5
173.06133	0.2
177.05460	0.5
179.03380	0.2
183.02917	0.2
201.05479	0.8
203.03445	0.4
205.05124	0.2
207.06509	0.3
217.04987	0.7
218.05762	0.6
219.02940	0.2
228.04121	0.7
229.04982	2.1
231.02913	0.3
245.04427	1.1
246.05292	1.5
257.04504	1.8
260.03162	0.3
261.07642	0.4
271.06055	0.4
273.03879	1.6
274.04758	3.7
284.03094	0.4
285.03973	2.7
299.05606	0.2
302.04242	11.6
303.04752	0.2
317.06583	100.0
318.06799	0.7
329.06534	0.6
333.06046	0.6
340.05997	0.2
350.46295	0.2
359.07593	0.7
383.07672	0.3
435.74942	0.2
479.11981	0.3
641.24597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
55.01867	4.3
55.05515	23.4
57.03442	14.5
57.07082	53.5
59.05003	1.5
65.03936	2.6
65.93185	1.2
67.05511	61.3
69.03430	2.5
69.07072	28.2
71.04987	3.5
71.08246	1.8
71.08637	36.5
71.43364	1.6
71.43719	1.4
72.55692	1.1
75.28035	1.2
75.63890	1.0
79.05499	41.7
81.03417	5.3
81.07063	73.1
83.04999	9.3
83.08624	21.8
85.06541	2.9
85.10188	19.2
89.06033	2.5
89.42489	1.1
91.05486	38.0
91.06023	2.5
93.07053	47.0
93.07641	2.4
95.04983	11.1
95.08617	52.5
97.06540	9.8
97.10179	10.6
99.08098	3.5
105.04526	1.5
105.06457	1.2
105.07043	26.1
107.04965	4.0
107.08607	23.7
109.06525	5.6
109.10164	23.4
111.08089	4.3
111.11719	2.3
113.80460	1.4
117.07015	14.7
119.08589	22.8
121.06508	2.7
121.10155	15.1
123.08070	3.8
123.11732	6.0
125.09615	2.2
129.07010	4.7
131.08563	16.0
133.10139	22.7
135.08089	3.2
135.11687	11.7
137.09637	2.9
137.13304	2.2
143.08591	3.7
145.10153	10.4
147.08046	1.4
147.11694	8.6
149.09605	6.7
149.13306	10.2
151.11221	1.8
157.10175	4.4
159.11719	10.5
161.13350	2.7
163.11192	4.3
164.63383	1.1
169.10130	2.4
171.11653	1.5
173.13263	3.5
177.12759	2.6
185.13287	1.8
189.16524	1.2
193.12442	1.5
195.13805	5.0
197.13228	2.3
217.15898	3.3
229.19566	1.8
239.17834	1.8
239.23720	4.6
247.20638	2.5
255.15883	12.3
255.18250	1.5
257.18970	6.8
257.24747	1.4
267.16055	2.7
269.17529	15.5
275.20084	28.3
291.19577	2.3
293.21161	2.4
309.20615	1.6
313.27380	75.7
325.20288	1.5
331.22794	3.0
335.88223	1.3
349.23810	17.1
367.25119	2.1
479.16284	1.9
493.38882	16.2
494.19119	2.1
505.38913	4.7
507.40497	100.0
508.41290	1.5
545.25452	1.6
547.43457	5.0
581.23364	7.4
587.46582	15.7
605.47620	4.0
641.25128	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	640.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01870	3.8
57.03438	2.1
60.73496	0.9
61.02927	2.7
65.03957	1.5
67.05510	1.5
69.03435	10.8
70.06602	2.7
71.51892	1.8
72.08132	1.2
73.02911	1.0
79.05492	2.2
81.03426	11.0
81.07064	1.3
83.04982	1.5
84.08161	2.1
85.02435	1.5
85.02912	21.5
86.09720	1.1
87.04475	1.7
88.03982	3.6
91.05483	3.8
93.03403	1.5
94.04174	2.1
95.04981	1.6
97.02904	7.6
103.05473	3.3
105.07028	3.4
107.04945	2.2
109.02876	6.6
109.06502	1.9
110.07158	1.2
111.02666	2.0
111.04430	1.0
115.05492	4.7
117.07030	3.8
117.24193	1.1
119.04970	2.6
119.08586	1.7
120.01202	1.5
122.03658	5.5
123.04444	15.4
123.82594	1.0
125.05979	2.2
127.03925	2.8
128.06252	1.5
129.07037	6.0
131.04955	11.5
131.08585	1.2
133.02856	1.5
133.06456	2.1
135.04462	1.1
135.08093	1.1
137.05994	100.0
139.02144	1.9
141.03673	3.1
143.04926	4.6
144.05702	4.4
145.02916	1.2
145.04935	2.4
145.06517	6.6
145.10161	1.2
147.02618	2.0
147.04398	4.8
147.08127	1.4
147.11644	1.3
149.00565	2.9
149.06024	2.2
151.03932	12.6
151.07558	2.2
153.05544	1.2
154.08580	1.2
155.01605	1.4
156.07701	1.7
157.06487	6.2
158.07306	1.8
159.02672	1.2
159.04466	8.1
160.05203	3.7
161.05969	6.4
163.02100	2.2
163.07527	5.2
165.03729	0.9
165.05458	2.2
167.01633	16.4
169.03220	19.6
171.02672	1.3
172.05194	3.1
173.06007	6.0
174.06769	3.0
175.07549	14.9
177.03700	3.4
177.05492	3.7
178.03214	1.2
179.01634	1.3
179.07042	1.2
180.02524	1.3
180.99559	2.2
181.03169	3.0
183.01128	2.9
187.02165	2.2
187.07581	12.6
188.08302	2.0
189.03716	1.4
189.05414	1.6
189.09146	10.2
190.06207	1.3
191.07005	1.7
191.08624	1.1
192.02426	1.3
193.03238	13.7
195.04729	5.9
197.02744	1.2
199.02197	2.5
203.01654	1.2
204.02403	2.0
205.03217	14.0
205.08542	6.6
207.04715	2.6
211.07407	1.8
213.03746	1.4
217.03223	4.5
217.06451	1.2
217.08548	2.3
218.04037	1.3
219.04779	6.5
219.08023	2.1
227.07098	1.6
231.04730	2.7
235.04266	3.6
235.07555	2.8
235.09665	1.8
237.05783	4.7
239.03645	2.1
240.07887	2.9
243.04692	1.2
247.04108	2.4
247.07524	1.5
248.08316	2.6
249.03645	2.0
249.09134	2.5
251.05328	1.7
254.03973	1.2
255.06616	2.4
260.08072	1.1
261.03748	2.3
261.08975	1.5
262.10083	1.5
263.07278	2.5
265.02963	1.0
265.08621	2.1
266.04007	1.6
268.66428	1.2
270.08932	6.1
271.04114	1.2
277.05563	1.7
277.08328	6.1
278.03833	1.6
278.09430	2.9
279.04651	1.9
279.10071	1.5
280.10910	1.4
281.06161	2.2
283.04071	1.2
285.05945	1.2
291.04388	1.6
291.10251	1.2
293.08276	2.8
294.03583	1.7
294.08008	3.7
295.04196	2.7
295.09720	2.8
296.10522	2.5
297.06082	1.5
300.04727	1.6
301.05450	8.6
302.06082	1.5
303.06982	1.2
306.07828	6.8
307.09570	3.2
308.10400	9.0
309.05795	7.3
309.11206	2.6
310.06497	1.3
310.11951	3.8
311.03845	1.9
311.07309	3.2
311.12827	1.6
313.05444	1.2
320.10367	1.6
321.05817	4.3
321.11282	1.7
322.12003	5.1
323.07248	2.1
324.08835	1.8
324.13449	3.4
325.08820	1.3
326.06046	4.5
327.06894	2.4
328.07242	1.0
329.08411	1.3
335.07288	2.6
337.09052	1.2
338.05972	1.4
338.11502	2.0
339.06827	2.9
340.13037	1.4
341.04587	1.5
341.08475	17.6
342.14651	7.7
343.10028	3.5
353.08408	11.3
355.10144	2.4
356.07156	2.0
356.18494	1.2
357.07986	1.8
359.09525	3.9
365.08481	1.2
367.09906	2.9
371.09497	26.9
373.11230	2.3
382.11304	1.4
384.12665	1.6
389.10565	36.6
396.12558	2.8
397.11038	4.5
413.10529	3.0
414.13794	3.1
415.12256	7.1
418.13394	2.4
425.10623	1.4
428.11542	2.3
430.13251	18.6
432.14676	1.3
442.13406	5.3
443.11807	5.5
448.14053	5.5
460.08063	2.0
460.14230	25.6
461.12698	21.0
478.15372	64.8
520.16479	1.5
552.19781	1.1
586.17480	1.7
640.20239	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50008	1.5
59.04996	2.3
62.90960	2.0
67.05518	2.1
71.52533	2.6
79.26740	1.9
80.71677	1.6
80.93442	2.0
179.41406	1.9
184.08115	1.6
218.83345	1.8
320.69278	1.8
377.17746	3.7
388.17874	2.1
389.17789	3.9
390.18430	5.2
391.19220	13.9
392.20081	2.4
403.19351	6.0
404.19977	5.5
405.20941	24.1
406.21506	13.5
407.22385	3.3
417.20929	3.7
419.23087	8.5
420.23331	16.4
421.24100	11.4
432.19025	2.2
433.19550	2.7
433.24255	6.5
434.24576	6.5
435.21671	4.2
436.18430	2.3
438.20438	2.6
445.20276	4.9
447.21909	5.5
448.22903	10.4
449.23685	17.6
452.22186	16.4
459.21896	8.4
460.22733	12.2
461.18851	2.6
461.23944	2.8
462.20740	17.8
463.21533	2.3
465.22830	12.9
475.21002	14.3
476.21945	11.2
477.22958	36.1
479.24478	3.1
487.21225	2.4
488.22241	3.6
489.22903	2.5
491.24490	4.7
492.25888	8.6
493.21732	3.6
503.24274	7.5
507.27438	5.6
521.22272	9.8
535.26251	7.6
536.24268	37.3
537.24652	5.9
547.26843	3.1
551.25806	2.5
552.27423	14.6
561.25031	4.3
562.25830	2.3
563.26599	2.7
579.27936	12.1
593.27411	2.6
607.28448	2.7
621.27087	5.0
622.27887	100.0
623.28235	2.8
639.31384	76.8
640.30798	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	639.2818
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05527	0.4
57.07065	0.2
62.86529	0.2
64.47457	0.3
67.05515	0.6
70.68658	0.3
70.68973	0.5
72.35857	0.2
74.72945	0.2
79.05500	0.4
81.07055	0.8
93.07060	0.5
94.06606	0.3
105.07053	0.4
107.40393	0.2
119.08592	0.6
121.10240	0.3
135.11652	0.3
197.10735	0.3
199.48737	0.2
204.06635	0.3
217.85870	0.2
225.10384	0.3
247.46564	0.2
285.25415	0.2
313.27493	0.3
328.14447	0.3
363.16360	0.3
377.17923	0.7
379.19348	0.8
382.76733	0.3
389.17853	0.3
390.18735	0.6
391.14951	0.4
391.19559	1.2
392.20148	0.5
393.16537	0.3
393.21121	1.2
404.16223	0.5
405.16541	1.9
405.21317	0.7
406.17731	0.9
406.21942	0.8
407.18396	0.8
407.22815	3.1
408.23288	0.4
417.21368	0.4
418.17535	1.4
419.18201	4.0
419.23602	0.4
420.18939	1.4
421.20255	3.1
423.21942	1.0
431.18726	0.5
433.20288	9.9
434.21271	4.2
435.22064	5.2
436.22791	0.7
437.23911	0.4
446.21219	0.4
447.22675	1.5
448.18613	0.5
449.19623	5.1
450.20673	0.6
451.21393	0.4
461.19772	1.2
461.24814	0.3
462.20621	0.5
463.22144	1.6
464.22305	1.8
465.23035	2.3
466.23709	0.3
475.21323	0.4
477.18903	0.5
478.19852	0.7
479.20068	1.9
481.22403	0.5
491.21072	1.0
492.21414	3.2
493.22147	5.0
503.24835	0.6
505.22287	2.5
506.22891	0.5
507.24243	1.1
519.23920	1.0
520.24872	1.4
521.25635	9.0
523.27118	0.8
533.22223	0.6
535.23102	0.5
537.21967	0.8
548.23895	0.3
549.24963	0.8
550.26563	0.3
551.26294	1.0
561.24768	0.4
565.24396	1.7
579.26135	20.3
580.26379	1.7
581.27509	2.3
597.26971	0.4
607.25452	2.4
621.27393	0.4
639.28186	100.0
640.28870	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	639.2814
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.01849	0.5
64.18494	0.3
64.84689	0.4
67.05499	0.4
70.96323	0.5
70.96648	0.6
71.80202	0.4
79.05506	0.8
81.07067	0.5
83.08599	0.4
84.08173	0.5
93.07051	0.6
95.05013	0.5
95.08624	1.0
105.07027	0.5
183.44681	0.4
190.68608	0.4
225.16315	0.4
277.09772	0.4
288.93610	0.4
291.19666	0.4
391.19278	0.5
392.16498	0.7
393.16772	0.8
393.21237	0.8
405.17111	0.7
406.17941	0.5
407.18851	1.7
419.18820	1.3
420.15247	0.5
420.20041	0.7
421.15366	0.4
421.20618	4.0
422.21133	1.1
423.22052	0.6
431.18924	0.7
432.19507	0.6
433.20404	1.3
434.17581	1.6
435.18161	2.0
435.22491	1.2
436.22894	2.2
447.21896	1.4
448.18668	1.8
449.19693	9.0
450.20215	2.1
451.21500	0.8
459.18369	0.6
461.19522	1.0
462.20480	0.8
463.21716	5.4
464.22147	4.8
465.22781	1.2
473.19852	0.6
474.20541	0.7
475.21738	1.8
476.18640	0.6
477.18866	4.9
478.19711	2.3
479.20926	0.6
487.21011	0.4
491.21014	1.4
492.21667	1.3
493.22803	0.8
495.24310	0.6
495.75412	0.5
505.21988	0.6
507.23935	1.3
509.25369	0.6
519.24493	0.5
521.21918	1.1
523.22919	2.4
533.22162	0.6
535.23492	3.6
536.24225	1.4
537.21948	1.5
547.23505	0.5
550.25983	1.3
551.26440	2.9
561.24951	4.7
563.22852	0.7
564.23773	4.5
565.24396	2.6
579.26013	6.0
581.24347	1.1
592.23273	0.6
593.27582	0.6
595.25580	2.7
596.26392	1.1
607.25531	0.7
610.28125	0.5
621.27087	4.4
622.26245	0.6
624.25922	4.6
639.28180	100.0
640.28412	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	639.2818
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
69.04551	0.4
69.47282	1.2
69.47687	0.4
148.07460	0.3
207.09247	0.3
209.10822	0.4
221.10704	0.4
223.12280	0.4
235.12338	0.4
237.13885	0.5
241.68329	0.3
253.13333	0.4
282.13654	0.3
297.12561	0.3
300.15289	0.3
312.14981	0.6
314.16589	0.4
316.18219	0.4
337.15851	0.3
340.18295	0.3
363.16248	0.3
375.16025	0.5
376.17087	0.6
377.17587	1.4
377.22424	0.3
378.18658	0.9
379.19916	0.2
386.18271	0.3
388.18524	0.3
389.18234	1.0
390.18457	1.0
391.19257	4.5
392.19986	2.8
393.20938	1.2
403.19611	1.6
404.20242	2.0
405.20813	7.9
406.21527	4.1
407.22321	10.8
415.19196	0.3
416.20151	0.6
417.20795	0.9
418.22272	0.5
419.22458	4.0
420.23132	4.8
421.23895	15.5
422.17978	0.6
422.24677	2.6
423.90503	0.3
431.17783	0.4
431.23288	1.2
433.24365	3.7
434.19327	0.3
434.24850	2.2
435.18289	2.0
435.25305	0.7
436.18713	1.8
437.19547	0.6
445.19565	1.3
447.21509	1.0
447.26276	0.8
448.26358	0.8
449.18857	1.3
449.27646	0.5
450.20627	1.8
450.27237	0.5
451.21277	11.9
452.22064	3.2
458.17300	0.5
458.24878	0.3
459.22131	0.7
460.22726	0.9
461.24155	1.3
462.20566	0.4
463.21729	1.1
464.22159	1.3
465.22946	17.1
466.23566	2.1
467.37036	0.3
471.18250	0.3
472.19263	0.4
473.19409	1.4
474.20181	0.3
475.21057	1.0
475.25244	1.0
476.21246	0.3
477.22693	2.0
478.23331	1.6
479.24518	1.3
483.22144	0.4
486.20834	0.5
487.21225	2.0
488.22202	1.7
489.23218	0.7
491.19662	1.5
492.21603	1.4
492.26517	0.5
493.26343	1.9
501.23056	1.8
502.23172	0.5
503.24518	12.5
504.25058	1.1
505.22699	1.0
507.27643	9.3
507.35101	0.6
508.28381	2.6
519.24084	0.9
520.24115	0.6
523.23383	3.5
525.24902	0.4
533.25983	1.6
534.23102	0.4
535.27081	15.5
536.27527	1.1
537.25092	8.8
551.26544	4.6
552.27368	15.2
553.27972	0.4
561.25043	3.8
562.25372	0.9
563.25775	0.4
579.26001	6.7
580.26617	1.9
593.28534	1.2
595.29187	5.1
621.27136	17.2
639.28168	100.0
640.28815	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	638.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.01883	5.4
55.05517	45.5
57.03445	12.2
57.06829	1.4
57.07081	17.8
67.05510	51.8
69.03419	3.5
69.07074	57.3
71.04996	3.2
71.08634	12.2
71.27932	1.2
71.28278	1.9
73.02925	1.5
79.05502	34.3
81.03412	4.6
81.06590	2.0
81.07064	44.7
83.04995	7.8
83.08628	45.1
85.06548	2.4
85.10181	5.0
89.06045	6.3
91.05491	34.7
93.07051	37.9
95.04966	5.6
95.08064	2.1
95.08617	24.9
97.06544	10.6
97.10181	30.0
99.08101	2.7
101.04377	1.1
105.07039	27.4
107.04958	4.2
107.08601	22.9
109.06518	3.6
109.10155	9.1
111.08093	5.9
111.11738	7.6
116.06244	1.1
117.07022	14.7
119.08596	19.0
121.06521	4.3
121.10143	14.0
121.40825	1.2
123.08182	2.3
123.11716	3.6
125.09634	2.5
129.06982	4.4
130.07794	1.3
131.08588	14.0
133.08630	1.6
133.10135	15.4
135.08046	3.0
135.11723	11.2
137.09628	3.0
139.11220	1.8
143.08575	3.2
144.09305	1.4
145.10141	12.5
147.11679	7.1
149.09619	4.8
149.13261	7.6
151.11211	1.8
151.50668	1.1
155.08603	1.6
157.10123	3.2
159.11720	8.0
161.09581	1.2
161.13264	1.3
163.11189	4.3
165.12746	1.8
171.11742	1.8
173.13266	4.8
175.11148	1.4
177.12762	2.6
183.11702	1.3
189.16389	1.9
195.13797	4.4
197.13219	1.8
199.14842	2.1
217.15883	3.4
219.21111	1.5
227.13091	1.5
229.14369	1.6
229.19411	2.3
237.22165	4.7
239.17926	2.9
247.20709	1.6
251.16403	2.3
255.15968	5.6
257.19083	7.4
267.15967	2.7
269.17487	11.3
275.20087	22.2
291.19547	5.9
293.21194	1.6
311.25833	73.2
331.22653	3.0
349.23767	20.2
367.25046	2.3
382.02020	1.2
465.35504	4.0
491.37363	26.6
505.38943	100.0
541.42743	1.4
545.41895	2.7
585.45178	23.0
603.46362	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	638.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09909	0.2
53.03942	0.5
55.01870	0.7
57.03442	0.5
65.03943	0.3
67.05511	1.3
69.03427	1.6
69.31813	0.9
69.32239	1.1
70.06599	4.5
79.05489	0.5
81.03425	6.2
81.07055	0.7
82.06580	1.1
83.04982	0.4
84.08150	64.1
85.02905	2.0
85.08505	0.3
91.05484	1.0
93.03391	0.4
93.07086	0.5
95.04971	2.8
97.02901	1.1
98.21538	0.6
99.09647	0.3
105.07043	0.5
107.04968	1.5
109.02886	0.4
109.06544	0.3
110.07159	0.3
110.09664	0.3
111.04453	0.3
115.05468	0.3
117.07017	0.5
120.08144	0.5
121.02849	0.4
121.06514	1.0
123.04441	0.5
124.07616	0.6
126.09229	0.5
127.03926	0.5
128.06306	0.4
129.06987	0.3
129.10226	0.4
131.04924	0.8
131.08591	0.6
133.06512	1.2
135.04439	0.5
135.08055	0.6
136.05228	0.4
137.06010	0.5
141.06998	0.5
143.08604	0.3
145.06500	1.3
146.07256	0.6
147.08006	0.5
149.05998	0.8
151.07553	46.0
152.07027	2.6
153.05360	0.3
154.08701	0.8
157.06541	0.5
158.07248	0.6
159.08087	1.3
160.08871	0.9
161.06027	1.4
163.07573	0.7
164.10753	0.8
165.05569	1.3
170.08138	1.6
171.08070	0.4
172.08821	1.5
173.06023	0.8
174.06808	1.1
175.07552	0.8
176.08386	0.9
177.09116	2.2
178.08720	0.4
179.07082	1.4
180.10260	0.3
182.11794	0.9
187.07559	0.9
188.08304	2.6
189.09119	10.3
191.07056	0.4
191.10698	2.7
192.10309	0.6
194.11711	0.3
196.08798	0.4
200.08406	0.4
201.09109	3.2
202.09985	0.7
203.07056	0.4
203.10709	5.2
205.08669	0.5
207.06610	0.4
208.09706	0.7
210.11243	2.7
213.09158	0.8
215.07018	0.7
215.10760	0.6
216.55571	0.3
217.08597	0.5
219.10223	3.9
225.09198	0.4
226.10396	0.3
227.10744	0.6
228.12314	0.9
229.08521	0.4
231.10179	4.2
233.08011	1.2
236.12845	0.4
238.10684	1.1
239.10677	0.5
241.12271	0.4
243.10229	0.4
246.11334	0.5
249.11169	1.8
256.11737	0.4
264.12411	1.9
281.11743	0.3
292.91461	0.4
363.16095	0.5
379.15826	0.3
391.15622	0.5
394.20135	0.4
410.19760	0.5
412.21323	0.6
422.19754	0.6
428.20682	0.6
430.22302	5.8
430.27841	0.5
440.20831	1.5
458.21823	9.7
476.22842	100.0
477.23178	2.2
638.28131	28.3
639.28510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44125	3.1
57.07101	2.8
70.25738	6.4
70.26132	6.6
92.52875	2.7
120.08842	2.7
168.11763	2.3
342.24173	2.8
390.18628	3.0
391.19266	4.2
406.21112	3.1
420.23349	3.2
421.24133	7.5
429.20883	11.6
430.22018	3.1
433.24252	3.6
443.22418	7.9
459.21570	7.8
460.22897	3.5
461.19733	8.0
472.22491	3.2
485.23459	10.2
486.24875	3.5
503.24527	18.8
510.94489	3.4
514.41840	3.2
517.26215	5.5
535.27203	20.9
545.25482	61.6
563.26892	2.9
573.24719	17.0
601.68707	3.1
605.27606	64.7
637.30261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.4
55.01868	6.4
55.05503	1.3
57.03445	3.4
59.95519	1.3
61.02926	2.6
64.42329	1.5
65.03952	2.1
67.05495	4.7
68.99786	1.9
69.03439	20.6
69.07059	2.6
69.89864	1.8
70.06599	10.9
71.05002	3.9
71.52335	1.5
71.52687	1.8
72.08159	1.7
73.02915	4.5
79.05488	4.0
81.03427	29.5
81.07055	4.8
84.08149	5.8
85.02913	29.9
85.53631	1.5
86.09711	2.6
87.00835	13.4
87.03435	1.6
87.04446	1.8
91.05482	4.3
93.07055	3.3
95.04964	3.7
95.08575	2.1
97.02911	11.8
97.06551	2.1
99.04452	7.5
103.05472	2.4
105.01881	7.4
105.07018	2.9
106.71258	1.6
107.08606	2.8
108.02084	1.5
109.02892	20.7
109.06515	2.2
109.10165	2.2
115.05463	2.4
116.07116	8.2
117.01859	1.9
117.07027	2.4
119.04952	3.1
119.08585	2.5
121.06503	1.6
122.03723	1.4
125.05940	1.6
127.03931	30.5
128.06213	3.5
129.01836	2.4
129.07031	21.6
129.10204	1.8
131.04929	6.5
133.06509	2.5
135.04431	95.8
137.05994	43.3
137.09557	1.4
141.05528	1.9
143.04903	5.0
145.04984	8.5
145.06485	4.5
145.10184	1.6
147.04416	5.6
147.08072	1.8
149.02342	12.5
149.05989	1.5
151.03920	100.0
151.05011	6.7
151.07451	2.4
153.05440	2.1
157.06512	20.6
159.02904	12.2
159.04320	2.6
160.05257	2.0
161.06012	4.1
163.03941	1.6
165.05510	4.1
165.09175	1.3
171.04416	3.8
173.05991	5.4
174.06783	3.2
175.07513	11.3
177.05513	3.1
179.07011	3.5
183.04387	1.5
185.06024	4.5
187.07552	28.5
189.05547	9.2
189.09149	7.7
191.07082	3.1
201.05548	11.9
201.09064	1.5
203.07066	25.4
205.08635	6.6
213.03905	1.7
215.07066	4.2
217.08707	2.6
219.08165	4.3
227.06978	1.6
231.06628	24.4
233.08052	11.2
234.08508	2.8
235.07523	1.6
235.09715	3.3
244.08887	1.5
247.07590	4.8
249.07509	18.4
259.07462	2.2
263.06854	1.5
264.07773	2.6
267.10464	1.9
275.06851	2.1
277.08585	5.0
279.10175	4.2
284.06860	5.2
285.07544	2.2
288.52658	1.6
292.07224	1.9
295.09677	1.7
305.08105	5.6
307.09509	7.2
309.11298	4.7
310.08704	1.8
319.09735	5.8
325.10757	17.2
337.10696	25.5
343.11691	4.3
355.11789	98.1
357.13397	12.0
373.12860	96.6
476.26999	4.3
603.17383	1.5
621.17969	5.0
638.33203	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	637.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
57.07072	1.0
61.18748	0.7
67.05502	0.8
69.07086	0.7
70.06535	0.6
70.11442	2.0
79.05478	0.9
80.23818	0.6
81.07071	1.0
93.07048	0.9
109.10166	0.7
192.04791	0.7
197.10762	0.8
205.86194	0.6
209.10742	1.1
211.12473	1.0
223.08809	0.8
223.12306	1.6
224.13145	1.3
225.13864	0.7
237.10252	1.0
237.13962	1.8
238.14656	0.6
251.08357	1.1
265.13513	1.0
271.10962	0.8
283.10980	0.7
289.18124	0.9
290.16574	0.7
316.42859	0.6
392.19934	0.7
403.19342	0.8
404.23929	1.0
405.20840	1.2
419.18356	0.8
420.23154	0.9
431.18604	1.2
432.19568	1.3
433.20248	2.6
445.20694	1.2
447.22589	3.3
448.23410	1.0
459.21909	2.5
460.19049	1.4
461.19766	2.4
473.19058	0.8
475.21237	4.1
476.22079	12.0
503.24304	1.1
507.24011	1.0
519.24097	1.6
533.21564	0.9
535.26746	0.9
545.25598	3.6
547.23773	2.6
549.25031	1.6
562.25800	10.0
563.26532	5.3
577.28040	4.8
579.25446	0.7
590.25604	0.9
593.24481	0.8
605.27448	2.6
622.27582	1.2
637.30249	100.0
638.30389	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2663
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
54.02874	0.5
66.72407	0.6
67.05507	1.3
69.14607	5.1
79.05513	0.7
81.07047	0.5
91.05513	0.7
95.08565	0.5
105.07056	0.7
107.08576	0.6
129.14644	0.5
388.16943	0.6
389.17633	1.7
390.18527	0.8
401.17673	1.6
402.18906	0.8
403.19034	2.2
404.19919	0.8
405.20917	0.7
415.19791	0.9
417.16528	1.0
417.21301	1.4
418.22049	0.6
419.22510	2.3
429.16843	1.0
431.18121	2.4
432.19983	0.6
433.16153	0.6
443.19003	0.8
445.20190	3.9
446.20953	2.7
447.22556	2.6
449.19449	0.6
457.16071	0.8
461.16251	2.0
462.16473	0.6
463.21658	2.7
475.17487	1.9
476.18594	1.5
477.19080	1.1
489.18756	2.5
490.20032	5.3
491.20847	11.3
503.20840	3.8
504.21527	0.8
517.22388	1.6
522.22742	0.8
533.25549	7.1
535.19489	1.2
545.22388	0.8
549.25177	1.5
559.23413	0.6
562.22791	1.1
577.24506	25.3
593.27557	1.2
605.23962	1.3
619.25513	1.5
636.42047	1.2
637.26611	100.0
638.27185	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10744	0.3
69.19330	1.8
69.19739	0.6
72.33064	0.2
83.08626	0.3
158.24625	0.2
183.70065	0.2
209.10800	0.3
223.12360	0.3
256.82950	0.2
268.02988	0.2
314.12857	0.3
387.16876	0.3
391.19586	0.5
399.15952	0.3
400.17084	0.3
401.17755	0.8
401.99005	0.2
402.18591	0.7
403.19238	1.6
404.20154	0.4
405.20877	0.8
407.22601	0.4
413.18277	0.3
414.18558	0.3
415.19858	1.2
416.20270	0.4
417.12289	0.3
417.16367	0.6
417.21521	2.1
418.21954	0.5
419.22601	1.9
420.23380	0.5
429.20905	1.1
430.17511	2.1
431.17908	3.1
432.18948	0.8
432.23337	1.2
433.20117	0.7
435.21762	0.5
443.18179	2.1
444.19046	2.8
445.20108	9.1
446.21439	2.7
447.22687	1.2
451.62714	0.3
456.19327	0.4
457.20435	1.2
458.21072	7.4
459.21750	6.0
460.22842	6.5
461.19568	4.0
462.20557	0.8
465.35944	0.8
471.22144	0.5
472.22919	0.3
473.23807	0.8
474.20850	0.3
475.21204	2.1
476.22302	1.3
477.22870	1.9
485.23318	0.4
487.25406	0.5
489.23376	0.4
490.24042	0.6
491.24741	1.5
503.20782	0.4
503.24796	0.4
504.25296	0.8
505.21521	1.2
517.22729	1.1
518.23065	5.2
519.24323	0.3
530.22980	0.5
531.23907	1.0
532.24512	0.7
533.25720	2.9
535.23138	1.3
545.25562	2.4
546.26276	2.0
547.27393	0.3
549.25299	1.1
562.26050	0.5
563.26965	0.4
573.25079	1.0
577.28497	2.2
590.24982	0.5
592.26752	0.6
605.27612	14.6
606.28491	1.0
637.30237	100.0
638.30664	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31319	0.4
65.16159	0.4
67.18109	0.4
71.01356	0.8
76.94739	0.4
86.72034	0.4
91.05404	0.5
93.06968	0.4
137.69907	0.4
224.60426	0.4
229.49886	0.4
259.12149	0.4
377.17743	0.8
385.14548	0.5
386.15582	0.7
387.16278	0.8
388.17477	1.0
389.18262	0.4
390.19019	0.4
391.19211	1.5
392.19901	1.1
393.20795	2.1
399.16220	1.6
400.16907	1.6
401.17648	3.7
402.19476	0.5
403.18961	0.6
405.20749	0.7
407.22446	2.5
411.16150	0.5
413.17566	2.8
414.18668	3.5
415.14557	0.6
415.19315	7.8
416.20352	1.0
417.21140	0.9
419.18463	0.6
421.19861	2.3
425.17615	1.1
427.19183	1.8
428.20337	3.0
429.15842	0.5
429.21338	7.3
430.21786	2.2
435.21820	1.6
436.22678	0.5
439.18964	0.6
441.17374	1.5
442.17621	1.0
443.18463	4.3
443.22839	2.9
444.18668	3.9
445.20297	2.3
447.17789	0.9
455.18591	0.6
456.20181	1.8
456.77567	0.4
457.20624	4.6
458.21262	4.1
459.17795	0.6
461.19772	0.8
469.16187	0.5
470.16663	0.6
471.22440	5.8
472.22513	3.3
473.19470	4.7
474.20511	0.8
484.18890	0.7
485.19794	2.7
486.20544	5.4
487.21271	2.8
488.21918	1.1
489.22620	1.6
490.19760	2.0
499.21429	10.5
500.17426	0.5
500.22104	1.9
501.18777	0.5
502.20120	0.5
503.24817	3.3
513.19110	1.4
514.19604	0.9
516.21808	1.5
517.22412	3.9
523.72766	0.5
527.21082	2.6
528.21735	1.2
530.23151	0.5
531.24066	11.6
543.24182	1.5
544.21106	0.7
545.21857	0.6
549.25018	0.9
559.23462	88.4
560.23877	1.4
587.22968	15.0
605.23639	0.8
619.25568	100.0
620.25977	1.8
637.26575	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	637.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
70.71197	0.8
73.70121	0.4
77.16313	0.5
78.25241	0.4
92.45061	0.4
119.38537	0.4
144.08107	0.5
178.91158	0.4
180.51105	0.5
197.44321	0.5
208.09784	0.4
209.10835	0.5
211.12401	0.5
221.10715	0.5
223.12418	0.6
340.14459	0.5
372.14139	0.5
374.16669	0.6
376.17084	0.8
377.17551	2.5
378.18500	1.2
386.15182	0.6
387.16354	0.8
389.17841	1.0
390.18924	0.8
391.19373	2.4
392.20145	2.3
393.20834	3.2
398.16919	0.5
399.16315	1.6
400.17081	1.9
401.17703	3.2
403.19678	1.0
405.20911	1.7
406.21793	1.0
407.22375	6.7
411.16379	0.8
413.17828	1.8
414.18463	3.0
415.19513	5.2
416.15842	0.8
416.20633	1.0
417.20871	1.5
419.18552	0.9
419.23047	1.0
420.19199	0.6
421.20255	4.9
425.17737	0.9
427.14996	1.0
427.19916	0.9
428.20493	2.3
429.21426	4.9
430.22128	2.1
431.18436	1.0
432.20016	0.6
433.15509	0.6
433.20590	1.1
434.21118	0.6
435.21625	3.9
436.22583	1.3
441.17206	1.4
442.17825	0.9
443.18423	2.2
443.22879	2.0
444.19040	3.3
445.20847	2.2
446.21536	0.7
447.17966	1.7
447.22818	0.9
448.18787	0.8
455.19055	1.0
456.19891	1.0
457.20981	2.9
458.21786	2.4
459.17813	2.2
460.19174	0.6
461.19955	1.9
462.20490	1.3
463.20935	0.7
469.16879	0.6
470.17026	0.6
471.22421	4.3
472.23651	3.4
473.19675	3.8
474.20651	1.7
475.16818	0.8
475.22208	0.7
476.18451	0.6
477.19263	0.6
484.18710	1.0
485.19797	3.3
486.20551	5.1
487.21329	1.9
488.22345	1.0
489.18628	2.0
489.23267	2.5
490.19754	4.2
491.20987	1.4
499.21518	8.3
500.22028	1.8
501.23761	0.8
502.20111	0.9
503.19907	0.7
503.24619	1.8
513.19257	5.2
514.19830	1.4
516.21405	1.7
517.22461	12.5
519.20123	0.7
521.25568	1.6
527.20953	2.3
528.21655	0.8
529.22430	1.2
531.24622	9.8
543.23840	1.3
545.21875	1.4
549.25031	5.9
559.23468	53.5
560.23773	0.7
577.25085	2.1
578.24921	0.5
587.22998	10.7
591.26208	3.6
605.23956	6.0
609.27002	0.7
619.25549	61.6
620.25623	1.0
637.26617	100.0
638.26965	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01876	1.3
55.05503	0.9
61.19907	0.2
63.18587	0.2
65.03946	0.3
66.04719	0.3
67.05521	0.2
68.99796	0.4
69.27122	0.2
71.53169	0.3
79.05480	0.5
81.03426	5.0
81.07050	0.4
83.04990	7.4
85.02913	0.3
91.05496	1.0
93.07059	0.2
94.04193	1.9
95.04988	0.5
97.02900	0.8
100.25847	0.3
103.05469	0.3
105.03416	0.5
105.07038	0.4
107.04952	0.8
107.08599	0.2
109.02879	0.4
109.06550	0.3
111.04452	8.0
113.06020	0.7
115.05460	0.7
117.07024	0.8
121.06500	0.6
122.03669	4.8
123.04423	0.6
125.02353	1.6
128.06244	1.3
129.07024	2.4
131.04938	0.7
131.08585	0.4
133.06535	0.4
135.04408	0.7
136.05194	0.7
137.05991	100.0
140.06125	0.2
141.06970	0.4
143.08549	0.4
144.05704	0.5
145.06493	3.3
146.07294	0.6
147.08040	0.4
149.02412	0.3
151.03944	1.0
151.07559	10.7
155.03418	1.3
155.04759	0.3
156.05766	0.3
157.06519	3.6
158.07291	1.2
159.04419	0.4
159.08073	1.9
160.05260	0.5
160.08839	0.8
161.06017	1.1
162.06761	0.2
163.07614	0.4
165.05493	1.8
165.06784	0.4
167.03421	0.7
169.06479	0.4
171.08093	1.2
172.08859	2.0
173.06047	1.3
174.06819	2.1
175.03922	0.4
175.07555	2.3
176.08337	1.5
177.09120	1.6
179.03383	0.4
179.08577	0.2
181.06528	0.5
182.07312	0.3
183.02892	0.3
183.08061	0.5
184.08832	0.2
185.06000	3.1
187.07587	2.1
188.08325	3.7
188.10027	0.3
189.09128	15.2
190.09818	0.3
191.10670	0.8
195.08141	0.4
196.08870	2.3
197.05936	0.2
198.06880	0.3
199.07565	0.9
200.08311	0.6
201.09119	2.5
202.09894	1.7
203.07100	0.6
203.10680	6.7
205.08577	2.0
207.10178	0.5
208.08885	0.4
210.10451	0.3
211.07555	0.5
212.08356	0.8
213.09111	1.8
215.07053	0.3
215.10672	0.6
216.07887	0.5
217.08612	7.1
218.09392	0.3
219.06572	0.4
219.10167	3.0
221.06052	0.3
222.10440	0.3
223.07542	0.3
224.08322	0.3
225.09081	0.3
226.09862	0.9
227.10695	2.0
229.08580	1.5
230.09448	0.2
231.10184	7.7
235.07556	0.4
235.09637	2.3
239.10721	0.6
241.12245	0.3
243.10210	0.4
247.09702	0.6
249.11256	10.0
250.09705	0.4
251.10666	0.3
253.12137	0.3
255.10124	0.7
263.06973	0.3
263.10812	0.6
264.12006	0.2
265.08917	0.4
265.12259	0.5
267.10156	0.3
269.11716	0.5
270.12656	0.5
278.09363	0.4
279.10266	0.4
281.11789	0.5
283.09659	0.3
291.10434	0.4
293.07858	0.2
293.11511	0.4
295.09763	0.3
297.11319	0.2
307.09601	0.2
309.11191	1.3
311.12735	0.3
325.10721	0.5
327.12311	0.5
336.09811	0.3
337.10645	1.3
351.08597	0.2
353.10257	0.4
355.11859	1.7
356.12585	0.5
357.13281	1.7
365.10059	0.3
367.11743	0.6
384.61914	0.2
385.12909	1.9
402.13226	0.6
403.14178	0.4
427.57614	0.2
561.34320	0.2
637.22620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83151	0.2
55.05490	0.3
57.03432	0.2
67.05495	0.6
69.07068	0.4
69.16541	2.1
70.06606	0.2
79.05511	0.4
81.03426	0.3
81.07063	0.7
88.07557	0.2
91.05493	0.2
93.07053	0.5
95.08617	0.3
98.98470	2.1
105.07021	0.4
107.08609	0.5
109.10162	0.3
118.06543	1.2
119.08611	0.2
121.10172	0.2
125.00015	7.1
132.08075	0.5
133.08894	0.3
133.10136	0.4
135.11671	0.6
144.08089	8.2
145.08835	0.3
146.09657	0.4
146.34267	0.2
158.09647	2.8
159.10406	1.2
160.11226	0.4
162.09190	0.3
172.11217	2.5
173.11969	0.4
176.14360	9.9
178.63077	0.2
179.10701	0.5
186.12733	0.2
197.11740	1.7
202.15919	85.2
203.16281	0.6
220.16975	9.1
281.75034	0.2
300.13605	100.0
301.13925	0.9
318.57468	0.2
398.81384	0.2
433.80344	0.2
618.39404	1.2
636.27429	0.8
636.40155	5.6
637.26373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.9
53.03944	6.8
54.24091	0.7
55.01662	0.7
55.01880	7.7
55.05515	1.0
57.03446	4.2
61.02935	4.0
63.99433	0.7
65.03944	1.2
65.17618	0.7
68.06523	0.6
68.99790	6.3
69.03436	30.6
69.07073	1.4
69.20993	6.5
70.06592	1.4
71.01344	0.6
71.05007	3.4
73.02924	5.3
78.97192	0.6
79.05474	2.7
81.03425	44.1
81.07066	0.8
82.11466	0.7
83.04967	0.9
85.02911	45.2
87.00835	19.4
91.03957	1.4
91.05475	3.2
93.07079	0.9
95.04974	1.8
96.02107	3.1
97.02298	1.0
97.02904	17.0
97.06520	1.7
99.04466	10.0
103.05475	2.4
105.01884	9.5
105.07017	2.2
107.04987	1.6
109.02891	32.9
109.10179	0.7
111.04448	7.7
115.03883	0.8
115.05478	5.2
116.06306	1.2
116.07101	0.9
117.01868	4.5
117.07011	3.7
119.04942	2.2
121.02879	1.0
121.10109	0.8
123.04414	1.4
125.05997	4.5
126.03172	1.1
127.03927	43.4
128.06236	5.7
129.01863	2.1
129.07016	37.5
131.04948	7.2
131.08583	1.6
133.02855	3.9
133.06422	0.9
135.04425	69.3
135.65686	0.8
137.05991	2.0
138.03134	2.2
139.03905	2.4
141.05478	53.0
141.89122	0.8
143.04930	4.8
145.02951	1.4
145.04982	9.0
145.06512	6.0
147.02888	3.0
147.04391	2.3
147.08049	1.0
149.02356	16.8
149.03505	1.5
149.05914	0.9
151.03931	6.4
152.01071	6.6
153.05473	62.1
155.04919	1.0
157.06499	31.4
159.02899	13.9
159.04395	5.7
160.05177	1.0
161.06006	5.4
163.03915	2.6
165.05531	1.9
165.09097	1.1
167.03416	100.0
169.05002	1.4
171.04443	2.3
172.05161	1.7
173.06001	21.3
175.03908	1.9
175.07527	3.1
177.04059	1.2
177.05449	5.7
179.03445	1.1
180.57318	0.8
185.05978	6.7
186.06738	0.8
187.03932	2.1
187.07562	38.3
189.03926	1.6
189.05470	8.9
189.07094	1.2
191.07042	2.5
193.05016	3.6
195.06580	3.8
199.03935	0.9
201.05486	44.4
202.06157	1.1
203.07048	16.0
204.04199	2.9
205.04965	1.8
205.08537	0.9
207.06592	1.6
213.05560	1.6
215.07042	2.5
219.06526	18.5
221.08105	3.3
231.06664	30.3
233.05855	1.3
233.08101	11.7
235.07527	1.1
237.07597	2.7
247.07654	1.0
249.07616	17.3
263.07047	2.4
267.08743	2.7
275.07013	1.4
279.06583	1.2
281.07980	1.4
291.06488	1.5
293.08099	2.5
295.09738	1.3
307.09512	2.1
311.09216	4.7
321.07620	2.6
323.09158	1.4
325.10846	4.5
335.09140	2.2
338.07843	0.8
341.10263	10.3
347.07657	2.9
353.10233	14.3
355.11816	2.3
359.11133	4.2
371.11285	51.2
372.11725	1.7
373.12872	10.8
389.12338	29.1
389.64584	0.8
456.21133	0.9
475.16113	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35247	0.6
50.45210	0.8
50.55019	0.6
52.03176	0.6
53.03944	3.1
55.01666	0.6
55.01877	7.3
55.05518	6.6
56.05030	2.0
58.06607	1.4
65.03944	7.4
67.05515	8.5
68.05846	0.7
69.03436	2.7
69.07057	0.7
69.23460	0.6
70.06608	5.0
71.04986	0.6
71.07387	3.4
72.08164	30.3
73.08482	1.0
77.03931	1.4
78.06358	0.6
79.05503	11.8
80.05035	1.1
80.05827	1.4
81.03430	7.1
81.07080	3.5
82.06580	3.0
83.04996	1.9
84.08150	0.9
85.02903	1.2
91.05490	54.1
92.05029	0.8
92.05791	1.2
92.06290	1.1
93.03413	5.6
93.07059	11.0
94.04210	0.7
94.06548	3.2
95.01338	0.9
95.04984	6.3
95.08630	1.8
96.04501	1.3
98.06058	4.0
98.20692	1.3
103.05482	1.7
105.03399	1.5
105.04510	1.4
105.07041	8.7
106.06562	4.3
106.07316	1.1
107.04969	12.1
107.07381	0.8
107.08582	3.9
108.02108	1.7
108.04497	0.7
108.08121	2.4
108.08888	1.3
109.02860	0.9
109.06567	0.9
110.06042	1.5
110.09692	0.7
111.04442	1.1
115.05450	6.4
116.06288	3.2
116.07007	1.1
117.07027	14.1
118.06583	0.9
119.04957	18.2
119.08594	4.8
120.05758	1.0
120.08123	5.7
121.06561	1.5
121.08904	7.7
121.10149	2.0
122.06046	0.7
122.09679	1.0
123.04433	1.3
124.07587	1.3
127.03915	0.8
128.06265	3.4
128.07043	0.7
129.07030	9.2
131.04927	5.4
131.08585	50.8
132.08090	1.3
133.06493	3.0
133.10152	4.9
134.05943	0.9
134.09703	4.3
135.04424	1.0
136.07568	1.5
136.11201	1.4
137.05989	6.4
138.09151	1.1
139.03952	1.0
139.09927	4.5
141.05484	2.3
141.07002	16.0
143.08603	2.9
144.05716	8.0
144.08122	1.5
144.26668	0.7
145.02863	1.0
145.06503	6.0
145.10176	1.6
146.09673	0.8
147.04422	1.1
147.08086	2.0
147.11703	2.8
148.12042	0.8
149.09615	1.1
150.09187	2.2
151.03925	100.0
151.05034	9.0
152.04259	1.4
152.10728	1.4
153.07010	0.9
155.06006	0.8
155.08566	1.4
157.06506	1.2
157.10139	0.8
158.09714	1.8
159.08067	34.6
161.05988	1.3
161.09631	4.0
162.09175	5.5
162.12831	1.1
163.09988	1.1
164.10770	2.0
165.07045	0.8
166.07576	0.7
167.08563	1.0
169.06508	8.8
169.07687	1.9
169.10043	0.9
172.11235	1.8
173.05971	0.9
173.12057	1.0
174.29117	0.7
177.05504	1.8
183.07954	0.8
185.13457	0.7
186.09135	2.5
187.07564	31.6
193.10167	0.8
197.13214	0.9
201.05432	1.4
204.10208	1.0
205.08711	1.6
212.14365	0.9
213.05428	0.7
216.10254	0.8
222.36061	0.6
229.48616	0.7
230.15453	7.2
232.16960	0.7
240.13838	2.6
246.18616	4.3
247.18948	3.2
248.19273	1.7
258.14917	76.0
276.15967	36.9
303.11459	0.8
308.15219	0.7
381.69876	0.6
406.20074	1.3
408.20697	2.8
422.18170	1.0
424.21350	0.7
425.21741	1.3
426.21939	2.0
442.22852	0.6
444.23126	1.3
450.17841	2.9
468.18689	4.7
600.20422	5.9
600.27228	7.4
601.18597	2.0
618.20990	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01878	2.6
55.05515	10.7
57.03441	2.2
57.07092	1.9
62.16387	1.2
63.86976	1.2
67.05511	12.5
69.03429	6.1
69.07074	15.1
71.04985	2.0
77.03975	1.1
79.05504	11.2
81.03426	4.3
81.07070	22.7
83.08630	11.7
85.02933	1.4
85.06549	2.7
91.05493	7.7
93.07066	20.2
95.04969	2.2
95.08618	32.8
97.02914	2.6
97.10175	5.9
99.08115	20.8
105.07033	10.1
107.04974	1.4
107.08607	35.7
109.06506	1.3
109.10183	12.0
111.08099	6.9
117.07050	2.3
119.08577	4.2
120.60018	1.5
121.06522	1.1
121.10158	52.7
122.38319	1.2
123.08083	1.4
123.11680	3.3
125.09660	7.0
129.06990	1.4
131.08585	4.8
133.06549	1.5
133.10152	4.2
135.11707	12.4
137.13261	6.4
139.11234	2.0
143.08551	1.8
145.10135	3.3
147.11690	3.3
149.09731	1.1
149.13266	5.0
151.07565	2.0
157.10182	1.3
159.11717	1.6
161.75742	1.2
168.09259	1.5
171.11674	1.5
173.13412	2.6
177.16406	100.0
181.93031	1.3
183.11755	1.8
195.17464	20.8
205.08438	1.2
209.13319	1.6
213.07591	3.7
213.12926	1.6
213.18518	32.6
229.27274	1.4
303.23050	1.7
341.24750	1.4
369.24225	4.4
387.25317	3.5
405.26288	2.1
635.24786	1.7
635.40570	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	635.2864
Annotation	Shizukaol M
Peak:m/z	Relative Intensity
58.23711	0.3
59.83528	0.3
70.18409	1.2
76.54047	0.3
90.34109	0.2
107.08533	0.3
125.83636	0.3
168.92552	0.3
209.10791	0.5
226.04700	0.3
249.13805	0.3
272.61069	0.3
293.52667	0.3
312.15186	0.3
314.16644	0.3
341.87711	0.3
351.81516	0.3
355.28394	0.3
387.16251	0.7
388.16895	0.4
389.17722	1.4
390.18356	0.6
401.17773	1.1
402.18341	1.3
403.19302	3.2
404.20120	1.5
405.20749	1.6
415.15338	1.1
415.19507	1.0
416.16080	1.0
416.20160	0.9
417.16663	1.7
417.21564	4.7
418.21841	2.1
419.22437	4.4
420.23624	0.4
428.20947	0.4
429.17136	1.6
429.21637	0.8
430.17596	3.5
431.17999	6.6
431.22900	1.2
432.19254	1.8
432.23407	1.6
433.24319	5.5
434.25012	0.7
443.18280	1.6
444.19211	3.1
445.20062	13.5
446.20905	3.9
446.25473	0.3
447.21790	3.5
457.20383	1.1
458.21625	1.8
459.21857	8.9
460.22589	10.0
461.13809	0.3
461.23581	6.8
463.20322	0.3
471.21970	0.3
472.22824	0.7
473.18671	0.4
473.23425	2.1
474.24606	0.4
475.21194	0.4
477.22964	0.6
487.25342	1.0
488.22418	1.2
489.22943	1.1
490.23846	0.4
491.24258	1.2
492.25333	0.8
501.22781	0.3
503.20215	0.4
503.24951	0.5
504.25113	0.5
505.21594	3.0
506.26611	0.4
515.24457	0.5
517.22314	1.9
518.23352	0.5
519.23279	3.8
531.23962	3.2
532.24744	0.7
533.25415	1.3
546.26617	3.1
547.27081	20.0
548.27374	0.4
559.23694	0.6
563.25763	0.4
575.26770	2.1
577.24512	3.1
578.25031	0.7
579.29321	0.4
585.24976	0.4
591.25964	3.8
605.27594	0.6
606.28339	14.7
607.29144	25.9
608.29919	0.4
617.27655	0.5
635.28632	100.0
636.28699	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	635.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57771	0.2
69.93404	0.4
69.93798	0.6
72.08159	0.5
81.07059	0.2
91.28990	0.2
95.08612	0.4
101.34248	0.2
132.71596	0.3
133.10228	0.2
147.07579	0.2
182.08440	0.2
207.09259	0.2
209.10767	0.5
210.11646	0.3
221.10773	0.5
222.11490	0.3
223.12431	0.7
224.13225	0.4
233.10948	0.3
235.12436	0.4
236.13148	0.3
237.13927	0.4
247.12341	0.3
248.16513	0.2
249.10388	0.3
249.13956	0.3
277.13382	0.3
310.13333	0.4
312.15280	0.3
387.16180	0.7
388.16888	0.3
389.17764	0.7
390.18668	0.3
401.17609	0.7
402.18515	0.8
403.19211	2.2
404.20038	0.8
405.20868	1.8
415.19452	0.7
416.15613	0.5
416.20239	0.7
417.21283	3.7
418.21954	1.6
419.22488	1.3
428.20178	0.3
429.16479	0.5
429.21017	0.7
430.17068	1.2
430.22769	0.3
431.18158	5.1
431.23663	0.6
432.19476	1.6
432.24103	0.6
433.24350	2.3
434.24863	0.4
443.18674	0.7
443.23453	0.3
444.19571	1.0
445.20001	6.8
446.20856	1.5
447.21881	0.8
455.18051	0.3
457.20520	0.4
458.20987	0.3
459.17535	1.2
459.23074	2.4
460.22977	3.0
461.23611	3.9
471.22305	0.4
472.22940	0.3
473.19785	1.5
473.24249	0.7
474.20343	0.4
475.21368	1.0
477.22693	0.4
487.21277	0.9
487.25775	0.3
488.22012	3.6
489.22906	6.0
490.23871	0.5
491.24997	0.4
500.22171	0.3
501.22943	1.2
502.24310	0.4
503.25082	0.4
504.24603	0.2
505.22232	0.7
515.24554	1.0
517.22632	0.5
518.23413	0.9
519.27045	0.9
531.24182	0.3
531.36517	0.6
532.24768	0.9
533.23444	0.5
543.23688	0.5
546.23676	0.4
547.27496	7.2
549.24664	0.4
550.22272	0.3
557.25220	0.4
559.23352	0.3
560.23901	0.3
563.23608	0.3
575.26569	21.1
576.26990	0.7
577.24323	0.4
578.25244	0.5
591.26074	0.3
603.26111	0.5
606.25165	0.5
607.29199	1.6
635.28668	100.0
636.29041	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	635.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	4.7
55.01876	6.0
57.03436	1.9
61.02935	2.3
64.67603	0.9
65.03920	1.2
67.05502	1.4
68.99793	3.0
69.03440	12.2
70.68145	1.1
70.68466	1.7
71.04990	2.5
73.02924	2.5
79.05489	1.7
81.03423	33.9
81.07051	1.1
85.02914	26.4
87.00845	10.6
91.03952	1.1
91.05488	3.0
93.03420	2.1
97.02895	13.5
99.04476	5.7
105.01886	6.7
107.04947	2.9
108.05716	1.6
109.02901	13.3
109.06508	1.0
115.03937	1.1
115.05459	2.9
117.01843	2.0
117.06995	1.4
119.04931	1.8
121.02895	1.8
121.06556	0.9
123.04431	1.1
127.03924	14.7
128.06212	2.8
129.01811	1.2
129.07039	4.7
131.04924	2.8
133.02867	2.2
135.04433	12.3
136.05176	3.6
137.02351	1.8
139.03891	1.4
139.07568	1.4
141.06956	1.1
143.04959	1.9
144.05757	1.8
145.04990	6.6
145.06480	4.2
146.07269	1.2
147.04419	2.0
149.02303	2.2
151.03922	68.3
151.07555	83.9
157.06519	10.3
158.07301	10.2
159.03058	5.6
159.04393	5.1
159.08052	3.1
161.05988	3.5
163.03893	2.9
165.04164	2.0
165.05496	29.6
165.06790	1.1
171.04361	1.8
171.08000	2.2
172.08856	6.4
173.05991	6.6
174.06764	12.9
175.03920	3.0
175.07484	2.2
177.05489	1.5
177.09152	2.8
179.07077	2.2
180.44601	0.9
185.05936	1.4
186.06815	4.5
187.07576	7.6
188.04788	1.3
188.08342	9.7
189.05540	10.1
189.09134	45.1
191.10603	1.5
193.04935	1.3
199.68759	0.9
200.08237	2.1
201.05553	9.8
201.09125	100.0
202.09911	19.3
203.07016	2.4
203.10687	14.7
207.08081	1.3
213.09192	2.4
214.09854	1.3
215.10663	2.3
217.08606	5.4
219.06560	3.8
219.10153	24.1
231.06534	3.5
231.10152	15.7
232.10847	1.1
233.08018	2.0
233.11775	4.0
234.06897	2.0
238.10010	1.6
247.07529	2.2
247.09865	2.0
249.07205	7.8
249.11287	11.7
253.12241	1.1
255.06485	1.3
261.09143	2.3
262.09885	2.2
263.07004	2.8
264.07867	1.3
269.08063	1.4
275.06989	3.2
276.07819	2.7
277.08560	7.2
278.09372	4.4
279.10434	1.2
283.06107	1.3
289.08505	1.4
290.09247	4.7
291.06555	1.7
293.08325	2.3
293.11688	4.1
294.08694	1.5
297.07697	2.0
298.08429	10.7
299.09247	1.9
301.08270	0.9
305.08032	2.7
306.08850	3.3
307.09622	3.7
308.10416	4.0
309.11163	3.1
318.08664	1.2
319.09558	2.1
320.10458	4.1
321.07660	2.0
321.11136	10.8
323.12885	1.4
324.09796	3.3
333.11234	1.5
336.09946	2.8
339.12311	20.0
351.12335	37.2
353.13846	2.5
369.13379	62.4
371.14740	2.5
385.12628	1.4
387.14441	8.7
454.76282	1.1
591.30859	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01853	0.3
55.05513	1.5
57.03439	0.5
57.07066	0.4
60.98266	0.4
65.72122	0.3
66.77509	0.2
67.05180	0.4
67.05511	4.9
68.05853	0.7
69.03433	1.4
69.07091	0.6
69.51247	1.5
73.86420	0.2
79.05492	1.7
80.05812	0.4
81.03426	1.2
81.07075	2.1
82.07382	0.4
83.04972	0.5
83.08613	0.6
85.02900	0.3
91.05474	1.1
93.07050	2.0
95.04951	0.5
95.08613	1.1
97.06545	0.4
98.98470	1.8
105.07056	1.2
106.07359	0.5
107.08620	1.2
108.08954	0.3
109.06543	0.3
109.10167	2.6
110.10497	0.7
111.08070	0.4
117.07030	0.4
118.06546	0.9
119.08573	1.2
120.08978	0.3
121.10147	0.8
125.00013	6.2
129.06978	0.4
131.08578	0.9
132.08002	0.3
132.08914	0.5
133.08884	0.4
133.10045	0.6
134.10582	0.3
135.08083	0.4
135.11702	0.2
137.09602	0.3
143.08578	0.4
144.08084	8.3
145.10121	0.8
157.10150	0.4
158.09639	3.0
159.08116	0.3
159.10451	1.6
159.11659	0.5
160.11182	0.4
161.09633	0.3
169.10158	0.2
172.11171	2.0
173.09598	0.3
173.11768	0.7
173.13280	0.3
176.14366	10.2
186.12785	0.2
202.15926	82.9
203.16261	0.6
220.16991	9.1
220.19107	0.5
229.14478	0.4
230.14783	0.4
300.13614	100.0
301.14035	0.6
328.23541	0.2
352.23639	0.3
370.24799	0.3
374.18088	0.2
388.24844	0.3
444.28308	0.4
598.38153	0.5
604.39520	0.3
616.38507	1.7
634.39398	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	634.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.3
55.01857	4.8
55.05506	10.1
56.05022	2.4
65.03947	3.2
67.05180	2.1
67.05509	27.2
69.03425	5.4
69.07063	2.6
69.42281	9.9
70.06589	6.1
71.07361	6.7
72.08160	51.4
73.24673	1.2
77.03921	1.8
79.05494	62.0
79.63718	1.3
81.03413	6.5
81.07059	13.7
83.04981	6.2
85.02899	2.8
90.45033	1.2
91.05486	34.9
93.03389	2.5
93.07043	16.8
95.04969	13.9
95.08593	3.3
96.04486	1.4
98.06099	1.8
103.05441	3.5
105.03374	2.4
105.07034	38.3
107.04951	13.6
107.08601	43.8
108.28764	1.3
109.02823	1.5
109.06490	3.1
111.04449	4.6
115.05444	6.5
117.07026	9.8
119.04954	3.0
119.08592	11.8
120.08086	1.3
121.02855	1.9
121.06512	3.9
121.10125	2.8
124.07613	2.1
128.06221	2.7
129.07019	10.6
131.04897	3.2
131.08591	11.6
133.02827	3.6
133.06479	13.0
133.10130	7.3
135.04445	1.9
138.09143	1.8
139.03885	2.8
139.09943	14.6
141.06982	4.4
142.07771	2.0
143.04933	2.2
143.08574	7.5
145.06487	12.8
145.10097	5.3
146.07289	1.3
147.04366	3.9
147.08046	5.3
147.11700	27.8
149.13258	5.1
152.10748	2.1
153.06993	5.7
155.08572	7.9
157.06505	12.1
157.10071	3.7
159.04326	1.2
159.08081	8.0
161.05988	5.5
163.03947	2.2
165.07031	7.6
167.08586	6.5
168.09338	1.5
169.06458	4.9
169.10104	6.5
171.08015	3.1
173.06010	7.4
173.09608	4.5
174.06758	2.1
175.03893	5.1
175.07576	1.9
175.11179	5.4
177.05466	2.5
178.07794	5.2
179.08533	6.5
180.09288	1.6
181.06477	3.7
181.10135	1.7
183.08076	12.3
183.11719	3.3
185.05994	3.1
185.09610	4.3
187.03943	3.2
187.07565	9.5
189.05479	6.0
193.06512	3.7
193.10144	10.2
195.08101	8.6
195.11691	3.7
196.08768	1.8
197.06030	6.8
197.09550	3.0
199.07544	2.3
201.05466	17.9
201.09126	2.8
202.07733	1.5
203.08543	4.1
204.09319	2.1
205.10126	2.4
206.07227	3.2
206.15424	2.4
207.08035	4.6
209.09753	2.4
209.13257	1.6
211.07544	13.6
211.11182	4.8
213.05484	8.8
213.08989	2.5
215.06937	5.1
219.08080	1.8
219.11588	2.5
220.08916	1.5
221.05974	4.9
221.09627	11.2
223.07550	3.7
223.11133	2.0
224.08339	1.6
225.09090	5.4
226.06097	1.6
227.07031	9.7
227.10634	1.7
228.09282	3.3
229.08572	3.1
233.13274	4.2
234.06715	1.5
235.07509	1.7
237.09000	1.8
239.07045	16.1
239.10620	7.6
241.08632	8.3
241.12369	1.8
243.11688	2.6
244.16754	3.0
246.18550	91.5
247.07526	2.0
249.09172	4.8
251.07095	2.9
251.10577	1.7
251.14445	2.1
256.08804	1.8
261.09055	2.0
261.12692	5.0
262.17996	4.5
264.19580	11.2
265.08560	2.4
265.12057	1.7
267.07349	1.9
267.10141	10.9
271.11191	5.4
274.09915	2.3
279.13812	6.7
288.84637	1.4
289.12149	6.0
293.11713	2.7
299.10669	3.8
307.13290	12.6
313.09329	1.4
317.11737	8.4
335.08267	2.2
335.12766	13.5
378.20782	10.7
380.22089	2.6
388.18979	3.9
396.21579	4.2
406.20148	52.0
424.21219	37.0
442.22241	20.4
453.21179	1.4
570.26685	5.7
580.25494	14.3
598.26465	100.0
599.26965	2.8
616.27539	63.1
634.29266	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83973	0.1
55.01856	0.2
56.05002	0.5
61.02919	0.4
67.04202	0.2
68.05029	1.3
70.06599	8.6
70.18362	0.6
72.08127	0.2
73.02899	0.2
79.05470	0.4
80.04981	0.7
81.03410	0.3
82.06584	0.8
84.08131	0.4
85.02915	1.5
86.09673	0.2
87.04493	0.2
91.05495	0.8
94.06557	0.4
95.04955	0.2
97.02874	0.7
102.04664	0.2
103.05476	3.7
105.04557	0.2
105.07047	0.8
106.06569	1.7
107.07363	0.9
108.08082	0.7
109.02876	0.2
111.15693	0.2
114.05531	1.8
115.05466	1.0
116.07104	6.8
117.07009	1.0
118.04157	0.3
119.04939	1.3
122.03671	0.2
126.05431	0.2
130.04166	0.9
130.54207	0.1
131.04941	17.7
133.06470	0.7
137.05989	9.6
137.07065	0.3
140.07036	0.7
143.04930	1.0
143.08543	0.2
145.06473	0.6
146.03639	3.9
147.04417	2.9
148.05208	1.3
149.05919	0.3
151.03848	0.5
151.06221	0.2
151.07443	0.2
152.07071	0.9
153.05467	0.4
155.08484	0.1
160.05211	0.9
160.07458	0.2
161.05997	20.3
162.06773	1.5
163.07567	3.7
168.50935	0.2
170.09587	0.3
171.08040	0.6
174.06874	0.3
175.06310	0.2
175.07574	3.9
179.07034	1.0
187.07597	0.4
187.09987	0.2
188.07082	1.2
188.10716	1.1
189.07816	0.7
189.09293	0.2
190.08606	0.2
191.06967	0.2
192.10150	0.4
198.09151	0.6
200.10735	0.2
202.08650	1.5
203.06978	0.5
203.09297	0.3
215.07181	0.3
215.09433	0.5
216.10220	4.8
217.11020	2.2
218.08087	0.2
221.08078	1.1
230.11784	2.6
231.12590	1.2
232.13359	0.2
244.09885	0.2
246.07736	0.2
258.11337	1.1
260.09283	0.4
261.10016	2.4
274.10666	0.2
275.11612	0.8
276.12329	100.0
277.12585	1.2
395.07059	0.2
424.17679	0.2
472.19843	1.3
634.24976	34.9
635.25482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
51.41720	0.3
53.03959	0.6
55.01869	0.6
55.05515	2.7
57.03433	0.5
57.07079	1.1
65.03954	0.7
67.05512	5.7
69.03432	2.1
69.07076	3.8
70.37651	0.3
70.69388	0.7
71.04996	1.3
79.05499	5.4
81.03421	3.3
81.07064	14.7
83.04971	0.6
83.08626	1.5
85.02921	1.6
91.05486	7.4
91.06025	0.5
93.07052	9.1
93.83035	0.3
94.64096	0.4
95.04982	1.3
95.08614	14.5
97.02921	1.9
97.06533	0.4
99.08118	2.5
103.05470	0.5
104.06118	0.3
105.07038	13.1
107.04959	0.5
107.07874	0.6
107.08604	10.8
109.02887	1.0
109.06538	0.7
109.10165	3.5
111.04451	0.6
113.09666	1.2
115.05447	0.6
117.07024	2.2
119.08591	46.3
121.10149	2.8
123.08100	0.6
123.11723	2.2
127.03936	0.8
129.07045	0.7
131.08574	3.1
133.10143	53.2
135.11705	12.5
137.09612	0.9
143.08542	0.7
145.10123	2.3
146.10930	0.7
147.08031	0.4
147.11714	4.5
149.13283	1.2
151.11235	0.4
155.08611	0.4
157.10210	0.6
159.11736	1.6
160.12509	0.5
161.13258	0.7
164.29245	0.3
171.11769	0.3
173.13228	1.6
175.14838	100.0
176.15166	0.6
179.14244	0.4
187.14899	0.7
193.15897	9.2
211.16936	3.4
249.58720	0.3
261.22205	0.7
277.21603	0.4
278.16739	0.3
301.21765	0.4
303.23285	0.5
369.24402	1.6
387.24994	0.8
405.26306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.7
55.01872	3.6
55.02122	1.4
55.05308	1.7
55.05517	16.9
57.03439	6.7
57.07072	2.7
59.05006	3.7
61.93936	1.5
65.03934	4.1
67.05513	100.0
69.03436	35.7
69.07069	12.8
71.04997	6.0
79.05502	26.7
79.64727	1.8
81.03431	19.5
81.07067	40.5
83.04975	8.3
83.08650	8.8
83.09053	1.6
85.02927	2.9
85.06535	3.4
91.05487	36.6
93.07048	30.1
95.04970	7.5
95.08065	2.3
95.08617	26.9
95.14011	1.8
95.92818	1.7
97.02888	3.9
97.06522	2.5
97.10189	3.8
105.07050	26.4
107.04954	2.4
107.08618	17.2
109.02227	1.7
109.02871	3.9
109.06525	4.5
109.10167	55.2
111.04447	5.3
111.08079	3.3
115.05429	3.4
117.07043	12.4
119.08586	19.7
121.06492	2.9
121.10162	14.9
123.04444	2.6
123.08065	3.8
125.06044	2.4
125.09647	2.7
128.06203	4.7
129.06995	8.2
131.04932	2.1
131.08588	15.4
133.06473	4.0
133.10152	13.1
135.08072	3.7
135.11688	5.7
137.09624	7.1
141.06998	2.7
143.08548	8.4
145.06488	2.0
145.10133	12.2
147.08054	2.7
147.11719	9.9
148.42334	1.7
149.09642	3.0
149.13307	3.1
151.07613	2.1
155.08536	4.9
155.10585	2.4
157.10139	7.8
159.08031	2.5
159.11705	10.6
161.09653	4.0
161.13246	3.1
163.11220	2.7
169.10139	5.1
171.11716	6.0
173.09592	1.9
173.11739	13.5
173.13290	5.8
174.56853	1.6
175.11189	1.8
175.14743	3.1
181.10147	2.8
183.11632	3.9
185.09598	2.8
185.13297	4.5
187.14851	2.0
195.11711	2.8
196.41525	2.0
197.13261	2.0
199.11230	2.5
211.14871	2.6
217.00496	1.8
229.14395	16.9
259.20764	1.9
283.20459	1.6
285.22021	2.0
301.21619	7.4
319.22870	2.0
327.23325	2.7
339.23102	1.8
345.24301	3.1
351.23260	6.1
369.24323	9.1
371.25601	2.2
387.25253	6.6
389.25995	1.8
443.27859	3.7
461.29041	7.7
489.35641	2.1
517.94336	1.8
597.37549	7.0
615.38611	8.2
633.39905	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62864	1.2
54.75636	1.2
55.01876	2.9
58.06612	2.1
61.02934	2.4
69.03396	3.6
70.06578	2.2
71.51847	1.8
72.08140	2.2
79.05449	1.2
81.03432	2.3
82.52975	1.3
85.02920	7.5
91.05500	1.8
95.05000	1.5
97.02902	4.2
98.09628	1.3
103.05450	1.8
109.02816	1.5
110.07125	1.4
117.07037	3.2
119.05000	2.2
120.15823	1.4
121.02901	2.8
123.04463	4.2
129.07066	2.2
131.04938	3.9
133.06549	1.8
135.01762	1.4
135.04456	2.0
137.05983	1.9
139.03934	5.0
144.05734	1.6
144.08101	1.7
145.06503	2.9
146.06024	27.7
147.04454	3.1
148.07603	1.7
151.03903	2.7
154.75763	1.3
155.06075	1.5
157.06607	1.6
158.06047	1.3
159.04443	2.7
159.06789	2.9
160.06258	2.2
160.07600	34.9
160.08858	2.4
161.06004	3.8
163.03943	7.1
167.07187	2.0
169.37859	1.4
170.06026	2.7
171.04448	3.4
171.06772	3.2
172.07603	29.0
173.06041	2.8
173.08350	2.4
174.05629	1.5
174.09160	11.7
175.03951	7.0
177.01840	1.5
177.05522	4.7
181.05020	4.5
181.08678	1.6
183.06790	15.1
183.08136	1.8
184.07582	15.2
185.06026	3.7
185.08398	1.8
186.09140	2.4
187.03954	5.3
188.07076	3.6
189.05559	5.0
191.03383	1.4
191.07091	2.3
193.04947	9.0
196.07605	23.0
197.06367	3.0
197.08379	28.4
197.10075	2.2
198.09134	5.6
199.03931	5.9
200.07053	2.9
201.05479	8.3
201.10342	2.1
202.08667	23.6
203.07115	3.9
205.04977	11.9
207.06738	3.6
210.09161	9.3
212.07146	3.6
213.05492	5.7
214.08649	2.5
215.07045	3.7
217.04982	14.7
219.06570	3.8
219.11407	7.2
220.07657	3.3
222.09148	2.0
223.06056	6.5
224.07185	2.1
225.05521	5.4
226.08653	9.7
227.07092	3.8
229.04961	13.3
231.06546	11.8
232.09686	9.0
233.04601	2.4
233.08369	3.8
234.09186	2.4
235.05971	8.7
236.07159	1.9
237.05493	1.6
238.08617	6.7
239.07216	2.4
239.38832	1.7
241.05032	3.1
243.06497	6.6
243.11398	2.2
245.08226	2.3
247.06041	36.4
248.09229	2.0
249.07782	1.6
250.08603	1.9
250.10857	4.5
251.07086	1.9
253.04988	4.0
255.06618	6.0
257.08121	3.7
259.06067	19.5
260.10483	1.4
261.07776	2.2
262.08499	2.3
262.10825	24.3
265.07251	2.6
267.06586	1.9
269.08066	1.7
271.05978	11.1
273.07663	8.7
276.10083	2.1
277.07150	18.4
279.06604	2.2
279.13446	36.6
283.05991	4.8
284.10733	2.0
285.07724	4.0
289.07086	10.4
290.08298	1.5
292.09592	2.3
297.07980	2.8
300.10193	2.0
301.07089	25.1
301.10287	2.3
302.11734	1.5
304.09601	2.3
306.11063	1.8
307.08185	13.6
313.07178	14.8
315.08920	2.5
319.08228	5.3
325.06870	8.3
327.08856	3.2
328.09698	2.2
330.11163	2.0
331.08179	11.2
334.10907	2.6
337.09253	11.3
338.10376	5.0
340.09766	1.9
342.11261	2.2
343.08188	9.1
344.09277	4.8
346.10934	5.7
348.08838	4.9
354.11334	2.2
355.08200	5.0
356.09018	2.5
358.10843	5.3
360.12637	2.4
361.09222	12.0
362.10342	6.0
362.78665	1.6
363.10944	3.7
364.11646	5.6
366.11426	1.9
367.07953	1.8
368.11264	3.0
368.19809	1.6
370.10681	2.9
373.09247	7.2
374.10110	7.0
376.11862	28.4
379.05872	2.2
379.10223	14.3
382.11108	3.0
385.09409	3.6
386.10248	3.0
388.11850	14.1
391.10300	5.2
394.10648	1.7
397.11337	15.2
398.12872	2.3
400.11963	5.0
402.13437	4.5
403.10413	7.8
404.11395	4.0
406.12933	30.1
412.12079	2.7
414.13651	2.3
416.13898	3.0
418.12857	3.2
421.11362	10.6
426.13541	2.6
429.14883	2.1
430.13016	19.9
434.12613	1.8
439.12494	9.0
440.13538	11.3
442.12927	16.7
444.14566	2.2
447.15744	2.0
448.13815	2.0
454.12885	7.6
457.13483	30.2
458.13480	2.5
460.13873	3.0
470.14273	4.4
472.13870	11.3
490.15021	11.2
496.15536	1.9
508.16092	26.7
513.18671	2.1
526.17004	12.0
532.15881	1.9
536.15814	2.5
543.19702	5.4
550.16791	2.6
554.16797	3.4
561.18958	3.3
562.16705	2.3
567.18903	2.6
568.18488	2.2
579.19781	6.8
580.18060	5.2
589.30188	3.5
597.21027	7.6
598.18866	6.4
615.21844	13.5
616.20276	100.0
633.22906	54.0
633.33344	2.9
634.23969	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11016	0.6
71.04984	1.6
71.53975	0.7
77.03915	0.8
81.07040	0.7
84.08113	0.7
89.03925	0.6
90.04723	1.1
90.21193	0.5
91.05481	2.3
93.07047	0.9
95.52301	0.6
103.05485	5.2
104.06270	2.9
104.70942	0.5
105.03429	0.7
105.07045	2.2
107.04984	1.2
107.08566	0.7
109.20488	0.5
115.05452	1.4
117.03395	1.3
118.04172	1.2
119.04950	1.0
119.08561	0.5
121.06502	1.0
123.04436	0.8
127.03893	0.6
129.94618	0.6
130.04208	1.0
131.04935	18.1
131.08600	0.6
132.05722	21.0
133.06488	1.6
135.04449	0.7
140.84067	0.6
145.02821	1.2
145.06511	0.8
147.04404	2.0
148.05180	2.2
149.06004	2.5
151.07542	0.7
159.04411	6.7
160.05223	11.5
161.05969	3.6
163.03931	0.9
163.07578	4.0
165.05475	1.7
167.07069	4.7
171.04440	1.0
173.06100	0.7
176.04689	1.2
177.05493	11.6
177.06963	0.4
179.07065	2.8
180.07825	4.8
181.04956	0.9
182.09370	1.2
187.03938	4.2
191.07048	33.1
192.07825	100.0
192.61865	0.6
193.08475	1.3
199.03931	7.2
207.06558	2.4
209.08026	1.5
210.08920	0.9
217.05029	1.8
219.08037	0.9
247.07536	1.0
265.08533	1.9
275.07034	0.9
293.08102	2.1
303.06372	0.8
307.09961	0.6
321.07635	2.9
325.10849	2.6
335.09177	3.0
341.10242	1.7
353.10196	16.7
354.80090	0.6
371.11264	6.9
441.15524	1.9
480.12265	2.4
645.99463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.2
50.38356	0.1
51.02378	0.3
53.03947	0.4
53.42294	0.1
55.01860	0.3
57.03424	0.3
58.06596	0.1
61.02940	0.5
63.02377	0.1
65.03928	0.3
66.22879	0.1
69.03149	0.1
69.03438	0.9
69.79635	0.2
69.80032	0.1
71.04981	0.2
72.08132	0.1
73.02898	0.2
78.04701	0.3
79.05499	3.0
81.03431	0.6
83.04958	0.1
85.02911	3.8
87.04472	0.2
89.03919	0.5
91.05486	6.1
92.05782	0.1
93.07025	0.2
95.04986	0.7
97.02901	1.1
99.04449	0.3
103.03928	0.3
104.04977	0.1
105.03417	0.5
105.04508	0.3
105.07004	0.1
106.04171	0.3
106.06561	8.8
107.04921	0.2
109.02889	0.5
109.06504	0.7
109.16898	0.1
111.04419	0.2
115.05469	0.2
116.04983	6.5
117.05755	0.2
117.07044	0.5
118.06538	0.1
119.06089	0.6
120.04451	0.3
120.08125	0.1
127.03955	0.7
130.06537	0.6
132.04488	0.7
132.08081	0.8
133.05252	0.1
134.06020	100.0
135.06369	0.6
143.07315	0.9
144.08089	19.1
145.04974	0.5
145.06506	0.1
145.08453	0.1
146.06078	0.1
146.09645	0.1
147.04442	0.1
148.07558	0.5
155.06090	0.2
156.08104	1.1
157.07706	0.1
157.08885	0.6
158.09659	3.1
160.07607	0.1
165.10240	0.9
167.07198	0.1
168.08116	0.6
170.09706	0.2
173.10771	0.2
174.09120	0.4
175.08665	0.1
175.12317	0.8
176.07094	0.1
177.10280	0.1
180.08154	0.1
184.07561	0.4
185.10762	0.2
186.09152	7.0
188.10719	1.3
198.09189	0.2
200.10757	0.2
201.10278	0.7
210.09184	0.1
212.10760	0.1
213.10266	0.1
215.11777	0.1
216.10225	0.2
217.13310	0.5
217.56601	0.1
224.10751	0.2
228.10165	0.2
236.10803	0.1
242.11748	0.1
243.11336	0.4
249.11188	0.1
254.11888	0.5
255.11261	0.1
258.11288	0.1
270.11227	0.2
272.12845	1.9
276.12268	0.1
283.14249	0.1
288.12296	0.7
289.13776	0.1
290.13840	0.2
290.16586	0.7
296.14917	0.2
306.13303	1.1
308.17654	17.7
309.17963	0.2
319.16733	0.2
332.17615	0.6
337.17545	0.2
350.18643	19.2
351.19196	0.2
386.18787	0.1
392.19806	0.3
398.18692	0.6
404.19174	0.1
416.19757	0.9
434.20871	1.8
450.17667	0.2
452.22000	2.6
468.18710	0.7
470.23169	7.5
499.22836	0.3
512.23846	0.1
596.25800	0.2
614.27118	0.9
632.28119	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	632.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
54.32746	0.4
55.01849	0.5
55.05483	0.6
58.06586	1.7
65.03922	0.6
67.05505	4.5
68.02649	0.8
70.06598	12.0
71.04961	1.6
72.08141	0.9
72.81770	0.4
79.05076	0.6
79.05498	8.8
81.07075	3.2
84.04507	0.6
86.06050	0.5
88.07624	1.7
90.61475	0.5
91.05484	9.4
91.45219	0.4
93.07052	2.9
95.04974	2.1
95.08597	0.7
103.05455	1.6
104.41837	0.5
105.07036	9.4
107.04955	2.2
107.08604	5.3
115.05463	1.3
117.07035	3.6
119.04926	1.2
119.08588	3.2
121.06474	0.5
121.10103	0.5
122.06001	0.6
128.06223	0.5
129.07034	1.8
130.07742	0.7
131.04930	1.6
131.08585	4.7
133.02850	1.5
133.06465	2.1
133.10153	1.3
135.04424	1.7
135.08038	0.6
137.06013	1.1
137.08377	1.1
141.06915	0.6
143.08604	0.5
145.02864	0.9
145.06483	1.3
145.10130	6.3
146.10887	0.5
147.04396	1.9
147.08028	1.1
147.11673	3.8
151.03912	0.8
151.07481	0.7
153.06981	0.5
155.08369	0.8
155.09428	2.2
157.06418	0.8
159.04407	2.3
159.08043	1.2
161.02411	2.6
161.05997	7.0
161.09729	0.6
163.03915	2.9
165.07016	0.8
171.07999	0.6
173.02364	5.3
173.05994	2.0
173.09627	3.7
174.10513	0.9
175.03914	1.4
175.11205	2.1
185.05954	0.7
187.03915	100.0
188.04420	0.9
189.05496	0.7
197.05844	0.6
199.03906	0.8
199.07765	0.6
201.05482	3.7
205.04944	4.3
207.06535	1.7
211.07556	1.3
213.05482	1.9
213.08948	0.6
217.04976	0.6
239.07060	6.0
249.09277	0.8
256.09677	0.8
257.07977	0.5
260.16592	0.5
262.18063	2.2
267.10196	1.5
276.15894	0.7
301.07230	0.7
302.07333	0.5
307.13275	0.6
309.15338	0.5
316.05585	0.5
334.14389	1.4
335.12811	5.7
352.15454	4.6
364.15436	1.6
376.19141	1.8
378.20685	1.5
394.20331	1.3
396.21628	6.4
404.18570	6.9
408.20398	0.7
422.19641	35.9
423.19977	0.6
430.93478	0.5
440.20721	36.0
441.21030	0.7
614.26166	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	632.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01883	0.3
55.05507	0.5
57.03434	0.3
57.15700	0.2
65.03918	0.3
67.05508	0.3
69.03429	1.5
69.73180	0.6
69.73601	0.6
69.94350	0.2
70.06600	3.0
71.04982	0.4
73.49556	0.3
81.03413	0.7
82.06589	5.4
83.01317	0.2
83.04987	0.8
84.08152	100.0
85.02910	2.0
85.08490	0.5
86.09736	0.4
91.05492	0.3
95.04982	0.3
95.06123	0.2
97.02899	1.7
98.20847	0.4
99.04456	0.3
100.07629	3.1
111.04439	1.3
112.08743	0.5
115.05457	0.2
122.03680	0.8
127.03909	0.4
128.07088	12.7
129.07028	0.3
129.10255	0.4
130.08652	17.3
131.04947	0.4
137.05994	9.4
160.05275	0.7
161.05995	0.5
163.07588	0.5
172.09763	0.2
175.07529	2.4
177.05545	0.2
187.07538	1.4
210.11320	0.8
219.08139	0.4
228.12309	1.3
238.10770	3.5
251.10532	0.3
256.09039	0.4
256.11829	13.8
274.12881	24.7
291.10120	0.3
311.12885	0.5
323.12619	0.4
452.20755	0.6
614.26080	1.0
632.27063	28.4
633.27698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.05486	0.2
67.04247	0.4
69.03444	1.5
69.22306	2.1
70.06602	2.5
71.05005	0.4
72.35030	0.2
79.05508	0.4
81.03419	0.5
82.06590	7.7
83.04995	0.4
83.07352	0.2
84.08153	100.0
85.02908	2.1
86.26894	0.2
91.05447	0.3
97.02914	1.2
98.21523	0.5
99.04470	0.4
100.07619	3.3
101.62833	0.2
103.05502	0.3
104.12267	0.2
105.07036	0.6
109.02917	0.4
109.06538	0.3
111.04449	1.5
115.05417	0.3
122.03685	0.6
122.52187	0.2
127.03954	0.4
128.07094	14.0
130.08652	14.7
133.06540	0.5
137.05989	9.3
147.04442	0.3
149.05981	0.5
161.05975	1.7
162.06815	0.2
175.07594	2.1
187.07623	0.9
191.08554	0.3
193.08627	0.7
205.08682	0.5
210.11392	0.7
219.08125	0.6
228.12337	1.3
238.10745	2.7
247.07484	0.3
251.10757	0.8
256.11832	11.0
272.11346	0.4
274.12885	21.0
279.10248	0.7
291.10233	0.3
299.19418	0.3
311.12863	1.3
323.12796	0.4
341.14090	0.3
394.08224	0.3
409.60809	0.3
584.25085	0.8
602.26093	2.8
614.26044	14.2
615.26068	0.4
632.27087	20.0
633.27423	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	631.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57056	0.9
55.01876	2.0
55.05503	3.7
57.07073	1.8
67.05506	8.0
69.07075	15.6
71.53107	1.4
72.08155	1.8
79.05503	6.1
79.64506	0.9
81.03436	1.8
81.07067	24.5
83.08632	3.0
86.68893	1.0
91.05488	6.0
93.07062	4.3
94.04193	2.7
95.04971	1.6
95.08623	10.1
97.10186	2.1
102.43847	0.9
103.05479	3.7
105.07056	3.0
105.21999	1.0
107.08611	4.4
109.06521	2.0
109.10174	11.3
111.11747	1.5
115.05476	3.1
117.07022	5.9
119.04942	1.0
119.08605	2.6
120.44334	0.9
121.10149	2.5
122.03668	4.4
123.11736	4.8
128.06236	3.1
129.07014	5.1
131.04951	5.5
131.08583	2.9
133.10152	1.5
135.05293	1.0
135.11737	3.0
135.96730	0.9
137.05994	100.0
137.13269	4.3
141.07039	1.1
143.04955	3.9
143.08604	1.3
145.06519	6.3
145.10088	1.9
147.11758	1.4
151.03951	5.7
151.07550	11.9
153.05469	1.6
153.06992	1.3
155.08594	1.4
157.06479	7.1
158.07213	1.4
159.08072	2.4
160.05235	4.1
161.05980	1.6
163.07593	4.0
165.05537	2.0
165.09096	2.0
167.08559	1.8
171.08090	3.2
172.05154	1.4
173.06064	1.5
174.06816	1.8
175.07574	25.0
177.09096	6.2
179.09215	2.5
181.10202	1.2
183.08028	1.7
185.06123	1.1
185.09685	1.5
187.07600	7.4
188.08333	1.7
189.09109	14.6
191.10730	4.6
195.08011	2.8
197.09683	1.2
199.07617	2.5
201.09203	5.4
203.10738	4.5
205.08588	9.9
205.10335	1.3
205.12228	1.3
205.19783	1.3
211.07545	1.1
213.09126	1.9
215.10667	2.6
217.08624	7.6
217.12271	3.0
219.10245	3.0
219.12372	5.2
220.12750	1.7
223.11252	1.7
230.05502	2.0
231.06067	2.3
231.10101	1.2
231.13821	1.6
235.09708	3.4
239.10709	1.7
241.12332	1.8
248.12686	3.1
255.10333	1.6
255.13759	1.3
257.15430	2.1
269.15527	1.5
271.17017	1.2
273.18613	6.8
283.09842	3.2
283.17007	1.3
285.17068	2.4
286.17786	49.7
287.18103	31.8
291.10242	1.4
308.38593	1.2
313.21631	2.0
323.12961	2.0
335.12704	1.6
353.14008	1.9
371.14896	2.9
381.27948	2.4
409.30954	1.7
438.94025	1.0
489.26892	1.9
489.33734	2.4
494.25015	4.1
495.25650	2.1
507.27264	2.2
530.62280	1.2
542.33826	2.1
595.37976	1.2
613.38989	11.1
631.39001	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
55.05509	6.0
57.07074	5.2
59.05000	2.6
65.03928	1.6
67.05508	6.3
69.03424	2.0
69.07079	40.5
69.72475	6.1
69.94167	1.5
79.05494	3.9
81.03408	4.7
81.07069	17.5
83.04974	5.3
83.08630	4.5
91.05487	7.6
93.07066	7.1
95.04995	1.4
95.08617	12.9
97.10165	3.5
99.04478	1.3
103.05498	6.5
105.07029	5.7
107.08597	5.1
109.06502	2.4
109.10180	4.8
111.11743	3.6
115.05473	5.6
117.07030	7.3
119.08585	5.6
121.06512	4.5
121.10151	3.5
122.03666	4.7
123.08093	2.0
123.11687	4.0
125.05975	1.2
128.06230	5.9
129.07018	13.3
130.07838	1.4
131.04939	14.3
131.08580	3.9
133.10136	3.9
135.11702	3.3
137.06000	100.0
137.13309	7.7
141.06984	4.7
142.07790	3.0
143.05017	2.4
143.08546	8.1
144.05779	2.1
145.06505	11.6
145.10136	10.7
147.08057	3.0
148.05196	2.5
149.06021	3.9
149.09674	1.9
149.13330	3.0
151.03941	9.7
151.07559	22.7
153.05489	1.3
153.06984	3.0
155.08560	5.4
157.06497	9.4
157.10143	5.0
158.07317	6.5
159.08102	7.7
159.11720	2.3
160.05214	4.5
161.05948	3.8
161.09671	3.4
162.06860	2.0
163.03889	1.7
163.07574	23.0
163.14816	1.4
165.05496	5.4
165.06912	3.2
165.09125	3.9
167.08569	3.0
167.10535	1.6
169.06564	3.0
169.10141	5.4
170.07321	1.4
171.08047	8.4
171.11702	2.8
172.05219	1.7
172.08850	2.1
173.05994	2.8
173.09663	13.4
174.06783	4.7
175.07579	37.9
176.08333	2.1
177.05391	2.2
177.09149	11.7
178.07950	1.3
179.10739	1.7
181.06506	3.4
181.10153	1.7
181.12297	1.5
183.08057	4.6
183.11685	2.6
184.08861	2.1
185.06003	1.9
185.09663	7.7
186.06845	2.5
187.07552	14.9
187.11206	5.8
188.08356	5.3
189.09134	25.2
189.12732	1.5
190.09944	2.6
191.07048	2.5
191.10625	8.3
194.07127	1.6
195.08084	3.2
195.11705	3.4
197.09636	5.4
199.07535	5.1
199.11206	3.8
200.08372	3.1
201.09132	15.8
202.09848	3.8
203.07182	2.2
203.10683	17.5
205.08647	15.2
205.10428	2.8
205.12274	39.1
205.19452	2.9
207.13840	1.4
209.09641	4.1
209.13271	2.4
211.11212	4.5
212.08440	2.0
213.09117	5.3
213.12744	2.1
215.10667	10.1
216.11494	2.4
217.08731	10.2
217.12250	22.0
219.10335	6.6
219.13817	9.0
221.09650	1.8
221.11749	4.8
221.15387	3.6
223.11154	4.7
225.09154	4.3
225.12749	3.9
227.10672	3.7
229.08620	3.9
229.12253	10.8
230.12878	2.0
231.10161	3.3
231.13774	14.1
233.11801	7.0
233.15363	1.8
235.09648	4.6
237.12811	2.2
239.10712	2.5
239.14302	3.0
241.12270	4.7
243.13849	9.4
245.11786	1.6
245.15347	8.7
247.09737	3.1
247.16977	1.7
253.12372	2.2
255.13872	11.4
256.14706	2.2
257.15314	8.4
259.13339	1.6
259.16983	3.6
267.10297	1.4
267.13821	4.5
269.15350	5.6
271.14023	1.8
271.16974	10.7
273.14990	6.3
273.18515	26.9
275.10590	1.7
277.08585	2.1
277.12091	1.5
278.09326	2.0
283.16974	2.7
285.14825	7.5
285.18451	3.7
287.16418	5.7
287.19824	2.6
289.18082	8.8
290.09500	1.5
291.10098	1.6
294.73880	1.6
295.09576	1.5
297.15088	2.5
297.18524	2.8
299.20123	8.6
303.15875	8.3
305.11737	1.7
311.19934	3.2
313.21576	4.0
315.19653	1.7
323.20090	3.0
325.21588	3.1
339.23196	2.5
341.21149	3.2
341.24811	7.4
353.21033	5.3
355.22845	7.1
355.26486	1.5
357.24274	2.0
359.16452	2.2
361.14157	1.5
367.26550	2.2
371.15042	1.7
371.22369	4.7
381.17398	2.2
389.17447	2.2
391.26224	3.1
393.17087	2.1
409.19931	1.6
419.22018	3.8
421.19992	2.2
421.27246	4.8
423.28860	5.6
431.22202	1.5
439.21341	1.9
439.28253	2.8
449.23337	1.7
459.25095	2.0
477.26212	2.4
489.26712	3.7
495.27841	2.0
507.27554	4.6
513.29999	1.8
527.31586	1.8
542.33344	3.5
545.32867	6.6
557.32709	3.2
562.32727	2.5
563.33673	8.6
573.35706	4.5
575.33472	4.1
601.38324	1.6
613.38855	18.3
631.39618	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	631.2023
Annotation	Eucalmaidin D
Peak:m/z	Relative Intensity
51.02385	0.4
53.03947	2.0
55.01874	0.5
55.05512	1.8
57.03443	2.0
57.07065	0.3
57.53841	0.3
58.06597	0.3
61.02916	0.5
65.03937	0.8
67.05502	0.9
68.99807	0.3
69.03439	2.6
69.07057	0.4
69.81763	1.4
70.06577	0.5
71.04986	0.5
71.91111	0.3
72.08116	0.4
73.02912	0.4
73.92930	0.3
75.04484	2.7
77.03916	0.6
79.05499	9.9
81.03421	1.7
81.07056	3.2
83.04988	0.4
85.02913	3.4
85.06490	0.3
89.03938	0.4
91.05487	9.2
93.07050	51.8
94.07379	0.3
95.04980	2.8
95.08598	2.2
97.02899	2.1
97.06548	0.9
99.04458	0.8
103.05463	0.6
105.04530	1.1
105.07034	5.9
107.08601	8.8
109.02893	0.9
109.06506	0.5
109.10147	0.5
111.00828	1.0
111.04441	0.6
111.08106	2.4
116.06247	0.3
119.04983	0.4
119.08592	4.5
121.02857	1.4
121.06512	1.1
121.10151	56.8
122.10485	0.4
123.08043	0.5
123.11745	0.7
125.05978	0.4
127.03918	1.3
129.06987	0.3
131.08568	2.8
133.06520	0.4
133.07576	0.6
133.10175	0.8
135.04398	0.7
135.08044	0.5
137.02325	2.5
137.05968	0.8
139.11168	1.1
141.05470	0.3
145.04976	0.7
145.10114	0.4
147.04475	0.4
147.11707	0.4
149.06099	0.3
149.09627	7.5
149.10765	0.6
151.03935	0.9
153.01846	3.3
159.08034	0.4
161.05876	0.4
161.09581	0.3
163.03932	1.1
163.11143	0.5
165.01857	2.0
165.09106	0.6
167.07068	0.7
167.10667	3.0
173.05991	0.5
177.05502	1.0
178.05904	0.4
180.45448	0.3
181.04874	0.6
183.02861	0.7
187.04001	0.5
191.10693	0.4
201.05582	1.4
201.09135	0.3
205.04959	0.4
207.06564	0.4
213.05334	0.4
219.06531	0.3
229.04964	4.5
247.06091	0.7
257.04486	3.3
274.04733	0.6
285.03891	1.2
293.13818	1.0
303.05011	100.0
304.05237	1.1
311.14911	7.2
315.05057	1.5
329.15942	2.5
341.06882	0.3
345.06039	1.0
613.18359	0.3
631.32501	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2028
Annotation	Eucalmaidin D
Peak:m/z	Relative Intensity
55.01846	1.6
55.05497	0.6
57.03413	1.3
60.25396	0.5
61.02921	1.2
62.58771	0.6
65.03920	0.8
67.05486	0.8
69.03439	7.6
70.06575	0.6
71.04953	1.4
71.52402	0.5
73.02900	1.4
79.05521	3.0
81.03427	5.9
81.07092	2.9
81.07501	0.9
81.52670	0.6
84.08121	2.3
85.02441	0.7
85.02911	10.1
85.06519	0.6
86.09644	0.8
87.00840	3.6
91.05460	1.9
93.07020	2.4
94.04153	2.4
95.04958	1.4
97.02895	4.6
97.06496	1.6
99.04422	2.5
103.05437	1.8
105.01840	2.4
105.06415	0.6
105.07047	8.8
107.04931	1.0
109.02893	6.0
109.06448	1.3
115.05443	2.5
117.07034	0.6
119.08558	0.6
121.02851	0.7
121.06508	0.8
121.10150	1.2
122.03687	3.9
127.03099	0.7
127.03942	9.5
128.06230	1.3
131.04904	2.1
133.06519	4.4
137.05991	46.4
138.02873	0.6
139.03889	1.0
141.06950	0.9
143.04852	0.8
145.05002	3.1
145.06432	0.6
146.03648	3.3
147.02797	0.8
147.04404	1.2
149.05951	1.5
149.09627	5.4
151.03915	1.6
151.07477	1.8
157.06487	1.1
158.07240	0.6
159.02916	2.8
159.08046	1.1
160.05206	0.8
161.05998	51.4
163.07568	0.9
165.09070	0.8
167.07001	0.8
168.05647	1.0
169.06581	0.8
171.08096	1.4
173.05885	1.4
175.07547	2.5
177.05435	0.9
181.04976	1.8
184.05170	1.6
185.05962	0.8
187.07533	2.0
189.06917	0.7
189.09137	0.8
190.07718	0.8
191.08653	1.8
192.09302	1.2
193.05003	0.6
195.06526	0.9
199.07549	12.7
201.07481	0.6
201.09105	3.7
202.07819	7.2
203.08609	16.8
203.10643	2.0
204.09349	1.2
205.06563	1.2
207.06398	0.9
209.09779	0.6
215.08618	1.2
218.07327	0.9
218.53651	0.6
219.08122	5.3
220.08839	7.0
225.09195	0.6
230.07306	2.2
231.08081	32.5
231.10046	1.1
232.08852	7.2
233.05916	1.1
234.06683	0.7
235.07588	1.1
235.11217	1.7
237.09042	1.3
245.09650	1.0
247.07605	3.9
248.08336	15.8
249.09068	1.8
251.09219	1.1
258.06689	2.8
259.07578	27.2
260.08344	14.3
261.09015	2.4
262.10043	1.4
263.10696	17.7
265.08673	2.1
273.09085	1.8
274.09875	1.0
275.07013	3.0
276.07825	15.1
277.08542	3.6
279.10172	1.0
280.10895	1.3
283.06082	0.7
289.08557	0.8
290.09323	0.6
291.10178	91.6
292.10834	4.7
293.08093	4.1
295.13345	2.1
303.05099	6.7
303.08405	1.2
305.11694	0.8
307.09613	0.8
308.10339	4.8
321.11148	1.4
323.12808	100.0
324.12967	1.5
329.16034	1.0
333.11188	1.7
335.12723	2.4
347.12851	1.2
365.13837	2.7
389.13757	0.8
425.15927	0.9
430.08368	0.8
431.15363	0.8
469.18753	5.4
535.16003	0.8
587.34399	1.2
631.24133	1.2
631.33997	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	630.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06453	0.4
54.38424	0.4
55.05521	0.5
57.03430	0.4
57.07078	6.3
58.06591	1.7
65.03939	0.7
67.05516	1.0
68.05032	0.7
69.03466	0.4
69.07072	0.5
69.84641	0.8
69.85039	1.0
70.06602	14.8
71.08640	1.1
72.08154	0.6
79.05503	0.6
81.03408	0.5
81.07056	1.0
85.02923	0.6
85.10215	1.0
88.07639	18.1
93.07078	0.6
95.05029	0.5
95.06168	0.4
98.21400	0.8
100.07645	0.5
102.09191	13.3
102.64338	0.4
105.03390	0.5
105.07074	0.7
107.08626	0.6
126.07468	0.5
131.04987	0.5
142.62091	0.5
143.50966	0.5
147.04416	0.5
147.11667	0.4
149.02361	29.8
149.03308	1.2
175.03923	1.0
177.05476	0.7
184.20747	0.6
193.04987	38.2
219.06612	1.1
225.05573	0.5
228.23256	40.4
237.07599	11.3
269.04483	0.8
272.25867	1.1
297.03845	2.0
313.06995	2.0
341.06573	7.0
354.03888	0.5
359.07617	6.2
385.09195	18.0
385.14154	1.0
399.20825	0.5
403.10040	0.4
429.11884	25.5
451.31461	0.4
612.31812	0.7
630.32776	100.0
631.33594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01870	0.6
58.06596	0.5
69.03432	5.3
69.68127	1.4
69.68539	0.9
70.06592	0.7
79.05490	1.2
81.07057	1.2
83.04981	0.6
89.03884	0.5
90.04661	0.6
91.05467	1.6
93.07035	0.5
95.04984	1.1
98.20756	0.7
103.05470	5.0
104.06242	2.0
105.07022	2.0
107.04923	1.0
115.05423	1.5
117.03371	1.7
117.07025	0.6
118.04165	2.3
119.04993	0.9
121.10130	0.6
123.04420	0.8
130.04114	0.6
131.04936	18.0
132.05719	21.4
133.02864	1.3
133.06509	1.2
135.04442	1.2
137.05988	0.7
139.03824	0.6
143.04951	1.0
145.02809	0.6
147.04420	1.5
147.11739	0.6
148.05162	2.9
149.06000	2.5
151.03966	1.2
151.07512	1.4
159.04446	7.2
160.03920	1.0
160.05202	12.7
161.06010	2.5
162.06802	0.4
163.03917	0.7
163.07550	3.9
165.05486	0.9
167.07065	3.3
171.04396	1.2
173.02380	1.1
173.05952	0.8
175.03865	0.6
176.04698	1.6
177.05478	10.1
179.07112	2.4
180.07782	1.6
191.07042	32.1
192.07822	100.0
193.08440	1.4
199.03915	11.5
207.06540	2.2
217.04968	2.1
219.08095	0.7
222.06749	0.7
231.17700	0.5
233.06134	0.5
246.07114	0.6
247.07565	0.9
250.06032	0.7
265.08514	1.2
275.06970	0.6
278.05627	0.6
285.07678	1.0
293.08130	1.5
303.05405	0.6
319.06210	0.6
321.07584	2.3
325.10736	3.1
335.09076	2.4
353.10211	12.9
353.14502	0.8
439.13986	1.6
469.18622	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
53.53156	0.2
55.01868	0.2
57.03414	0.4
61.02925	0.3
67.05502	0.3
69.03431	1.7
69.07035	0.2
70.06587	0.3
70.97265	0.5
71.04990	0.2
72.08165	0.2
72.60432	0.2
73.02881	0.3
79.05483	0.5
81.03413	0.7
81.07043	0.8
85.02912	2.8
91.05482	0.5
93.07069	1.2
95.04971	0.2
97.02877	1.2
99.04448	0.3
105.02721	0.3
105.03398	4.1
105.07038	0.4
106.06579	0.2
107.04932	0.3
107.08586	0.5
108.08873	0.2
115.05462	0.4
116.04926	0.4
117.07053	0.2
118.06612	0.2
120.04459	1.1
121.10128	0.7
126.26975	0.2
127.03918	0.5
130.02887	0.6
130.06528	5.8
132.04436	0.5
132.08051	0.3
134.06015	2.2
137.05980	0.2
142.06500	1.4
144.04469	0.3
145.04933	0.2
147.05536	0.5
149.06108	0.2
149.09615	1.6
151.03868	0.3
155.06064	0.7
156.06964	0.2
157.07632	2.7
160.07564	0.4
169.07619	3.5
170.05960	0.3
171.05446	0.2
175.08614	0.2
177.05397	0.4
185.07086	0.5
189.10191	0.3
195.05624	0.2
204.08131	0.2
206.09613	0.3
216.08173	0.5
217.08940	0.7
218.09703	1.4
220.07652	0.2
231.09076	1.0
232.07730	0.3
232.09944	0.9
233.10727	2.1
234.09195	0.3
242.08528	1.2
243.09164	2.9
244.10095	1.2
245.10797	5.1
247.08665	0.8
248.09525	0.3
258.07898	0.3
258.10361	0.4
259.08652	4.5
259.11008	0.4
260.09402	0.9
260.11841	5.6
261.10233	9.6
270.10263	0.5
271.08664	7.7
273.08978	3.5
275.11722	0.4
276.11316	3.4
276.98648	0.2
282.20563	0.3
286.09723	0.8
287.10562	0.3
288.11316	100.0
289.11624	1.2
303.05020	2.1
306.12433	2.1
345.94595	0.2
450.16641	1.1
468.17587	6.3
577.39856	0.2
598.01959	0.2
612.21814	1.6
630.22736	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.1
55.01872	6.9
55.05519	30.1
57.03438	6.2
57.07085	18.1
59.05019	4.2
65.03950	3.6
65.71365	1.9
67.05511	70.4
69.07082	28.4
69.09060	1.7
70.08810	7.3
70.09166	3.8
70.59030	2.0
71.05015	5.0
71.08641	26.0
72.08167	2.7
73.07110	2.0
75.04486	2.3
79.05070	3.7
79.05502	37.0
81.03415	6.9
81.06587	4.2
81.07063	70.5
83.04991	4.7
83.08614	17.4
85.02907	2.6
85.06572	3.8
85.10208	6.5
87.04503	5.1
89.06036	9.6
91.05493	34.2
93.07050	48.9
95.04981	4.7
95.08618	53.7
97.02879	2.9
97.06577	6.1
97.10171	11.1
99.08106	16.4
105.07034	41.7
107.04967	4.8
107.08611	32.3
109.06548	4.5
109.10165	29.5
111.08112	4.7
113.09675	4.2
117.07043	15.8
119.08575	29.5
119.09216	2.5
121.06467	2.5
121.10167	20.8
123.08067	4.4
123.11713	8.9
125.09652	5.1
128.06213	5.2
129.07036	12.1
131.08566	32.0
133.08635	5.9
133.10139	22.5
135.11699	11.9
137.09671	2.4
137.13234	2.5
141.06973	3.6
143.08601	12.5
145.10136	26.6
147.11719	13.8
149.09613	3.8
149.13321	7.4
151.11237	2.9
151.14938	2.7
155.08611	6.8
157.10115	14.4
159.11740	10.2
161.09651	2.9
161.13287	10.7
163.11072	2.4
163.14842	4.7
165.12733	3.4
169.10178	4.7
171.11775	8.3
173.11900	3.5
173.13338	10.3
175.11166	2.5
175.14847	7.4
178.11656	2.5
181.10109	3.3
183.11697	3.6
185.13277	9.7
187.13370	2.5
187.14771	11.0
189.16434	3.5
197.13350	6.4
199.14882	5.8
201.16470	5.3
203.18015	3.5
209.13286	2.9
211.14954	2.6
213.16389	4.3
215.17993	4.0
227.12834	3.6
232.53201	2.1
237.16568	3.1
255.21132	3.7
259.20700	4.0
261.22174	4.2
265.21814	2.8
266.42618	2.3
273.22064	3.3
277.21793	5.4
291.23312	3.5
335.25903	6.5
351.25369	5.2
402.29364	3.7
423.32681	4.3
425.34241	7.9
457.36752	3.1
497.36383	4.6
499.38202	6.8
513.39380	5.0
515.37244	33.4
517.38562	3.0
519.42249	6.6
529.39001	13.1
537.43341	12.5
543.41064	3.0
555.44257	8.9
575.45868	2.9
593.45801	3.3
601.48962	2.7
611.46783	73.1
629.47833	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51020	1.0
53.03944	4.1
55.01864	4.1
55.05272	1.7
55.05516	23.2
56.81672	1.0
57.03444	9.4
57.07085	6.5
59.04995	1.5
65.03933	3.9
66.76360	1.1
67.05510	71.2
69.03419	1.7
69.07072	19.0
71.04989	2.9
71.08638	46.0
71.52588	1.0
79.05501	65.3
81.03416	4.5
81.07062	70.1
83.04987	8.4
83.08627	12.7
85.02966	1.1
85.06544	4.6
85.10180	1.9
89.06011	2.5
91.04906	1.5
91.05489	45.4
93.07050	81.1
93.24886	1.0
95.04971	8.3
95.08614	53.4
97.06553	7.1
97.10175	6.5
99.08101	30.5
105.04496	1.9
105.07040	29.9
107.04967	7.2
107.08603	43.1
109.06507	4.4
109.10157	17.9
111.08057	2.4
113.09677	3.2
115.05491	1.1
117.07031	10.6
119.08591	24.2
121.06583	1.5
121.09331	2.1
121.10157	34.0
123.08055	2.6
123.11708	5.0
125.09663	2.8
127.03912	1.2
127.11196	1.4
129.07014	4.9
131.08583	19.3
133.06459	1.2
133.10143	19.4
134.10378	1.3
135.08047	2.0
135.11696	32.5
135.12715	1.8
137.09612	3.1
137.13286	1.9
139.11208	1.5
141.09090	2.6
143.08546	5.7
145.10126	14.6
147.11696	11.5
149.09641	3.0
149.13275	12.7
151.11195	13.7
153.12680	2.5
155.08636	1.2
157.10143	5.1
159.11725	9.0
161.13278	15.1
163.11182	5.3
163.14839	6.2
167.10695	2.1
169.10120	2.9
171.11673	4.2
173.11830	2.0
173.13226	7.3
175.14806	8.3
176.15134	2.1
177.12798	2.4
177.16435	3.4
179.14325	64.1
181.10132	2.2
183.11656	1.2
185.13271	3.3
187.14890	4.2
189.12700	2.3
199.14838	3.1
201.16412	2.1
211.16890	1.1
213.16429	2.3
215.17912	1.3
220.17775	1.3
221.15355	2.3
233.22783	1.3
235.16988	3.5
241.19572	3.0
243.21124	9.9
259.20660	5.9
261.22211	14.3
277.21661	57.9
295.22693	4.9
299.23572	1.4
317.24838	9.6
335.25812	54.8
336.25980	1.3
351.25299	46.2
437.34128	1.5
439.35495	3.0
457.37125	1.6
485.35434	1.3
511.38135	1.8
513.39600	8.0
515.37201	6.4
519.42133	1.4
528.75488	1.4
529.38794	3.1
537.43182	1.7
555.43964	1.1
593.45032	1.5
611.46722	100.0
612.46844	2.2
629.47870	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	629.4167
Annotation	Plactin C
Peak:m/z	Relative Intensity
50.92211	0.3
55.05527	0.3
55.82978	0.4
58.06606	100.0
58.24021	0.3
60.27888	0.3
67.05515	1.4
69.03476	0.4
69.07075	0.5
70.64199	0.8
72.08165	0.4
79.05518	0.7
81.03441	0.4
81.07082	1.7
85.02941	0.7
91.05511	0.6
93.07075	1.1
95.08606	0.8
97.02870	0.4
105.07081	0.4
109.10195	0.4
115.05510	0.8
117.05798	0.4
119.08572	0.4
121.10197	0.5
132.08113	1.2
133.06462	0.3
142.06544	0.5
146.06024	7.7
146.07097	0.6
148.07632	0.7
160.07597	14.3
170.06079	0.4
184.07474	0.4
188.07095	0.7
205.13371	2.1
302.74945	0.3
334.67743	0.4
422.30685	0.6
548.34015	0.6
566.34552	0.6
584.35962	1.5
629.41663	49.3
630.42407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96683	1.0
55.05503	5.1
57.07078	2.5
58.91988	1.1
59.15042	1.1
67.05502	7.0
68.99482	1.1
69.07071	13.8
71.53585	1.7
72.94747	1.0
79.05491	4.4
81.03424	2.9
81.07059	26.8
81.41976	1.0
83.04974	1.7
83.08637	1.6
91.05465	2.4
93.07043	5.1
95.08607	10.5
97.10154	1.1
103.05463	1.8
105.03349	1.2
105.07001	2.8
107.08584	3.7
109.10162	13.8
111.11720	1.9
115.05477	3.4
117.07032	3.2
117.86137	0.9
119.08575	2.0
121.10132	2.4
123.11718	5.0
128.06195	2.0
129.07018	5.4
131.04935	4.0
133.10158	1.7
135.04427	100.0
135.11650	1.9
137.05974	7.2
137.13246	5.0
143.04886	2.5
143.08575	2.0
145.06502	4.6
147.11693	1.6
149.02365	6.5
149.06013	2.7
149.13222	1.8
151.07571	10.2
157.06479	5.7
159.08081	3.7
161.06003	3.3
161.09659	1.2
163.07648	2.2
165.09178	2.0
171.08092	1.6
173.05994	10.6
175.07570	7.4
177.09111	4.7
181.06516	1.5
183.08078	1.7
185.06001	3.4
185.09695	1.6
187.07587	6.5
189.09113	10.8
191.07043	1.3
191.10634	3.6
195.08046	1.4
197.09416	1.2
199.07532	3.0
199.11334	1.2
201.09132	6.7
203.07072	12.0
203.10652	3.8
205.08560	1.5
209.09644	1.4
211.11198	1.6
213.09053	1.8
215.07019	4.1
215.10631	2.9
217.08640	2.2
217.12300	2.6
219.10045	1.7
227.10783	1.5
229.12318	1.3
233.08092	4.9
239.10687	1.9
241.12213	1.5
253.08556	1.1
257.15405	3.1
271.17001	2.2
273.18509	6.7
281.08133	3.4
285.18503	2.7
313.21506	4.5
321.11346	2.2
337.22061	1.3
351.12561	2.1
353.13736	2.5
369.13324	3.2
381.27863	4.3
407.29724	1.9
409.31082	3.6
457.23990	1.8
487.24597	2.3
489.33533	1.5
505.25601	3.4
540.32452	2.9
611.37079	15.7
611.46027	1.9
629.29059	1.8
629.38348	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	629.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.0
52.67255	0.4
53.03939	1.4
55.01869	1.5
55.05518	3.4
57.07066	1.6
65.03939	0.9
67.05514	6.6
69.03471	0.5
69.07073	13.0
69.38653	1.4
69.39082	2.1
71.08633	0.9
77.03942	1.0
79.05509	4.9
81.03432	2.2
81.07069	17.8
83.08627	1.9
91.05494	3.3
93.07053	3.7
95.04956	1.6
95.08065	0.7
95.08619	8.8
95.34726	0.4
97.10174	1.6
103.05488	3.3
105.03401	1.3
105.04456	0.6
105.07021	2.3
107.04955	0.7
107.08592	3.3
109.06493	0.7
109.10178	10.3
111.04459	0.7
111.11727	1.2
115.05475	5.0
117.07030	4.3
119.04948	0.6
119.08594	1.6
120.63454	0.4
121.10140	2.2
123.04478	0.5
123.08054	0.7
123.11737	3.6
128.06255	2.0
129.07025	8.1
131.04927	4.9
131.08597	2.1
133.10130	1.7
135.04433	100.0
135.11713	2.6
137.06004	6.5
137.13254	3.4
141.07011	1.3
142.07747	0.5
143.04941	3.9
143.08612	1.3
144.05756	0.6
145.06502	6.3
145.10202	1.2
147.04446	0.7
147.08104	0.8
147.11633	1.0
149.02359	5.8
149.05991	1.1
149.13293	1.3
151.03886	1.2
151.07564	10.3
153.07043	0.6
155.08568	1.3
157.06502	7.7
157.10149	0.8
158.07318	0.8
159.04388	0.8
159.08089	3.1
160.05206	0.5
161.06010	3.9
161.09648	0.5
161.13268	0.7
163.07561	2.6
165.05525	1.1
165.09132	0.8
167.08574	0.8
169.06487	0.8
169.10155	0.5
170.07266	0.6
171.08061	1.8
172.08904	0.5
173.06007	23.0
173.09682	1.5
174.06798	1.3
175.07567	7.3
177.05473	0.7
177.09140	4.5
177.16418	0.9
179.08522	0.9
183.08081	0.8
185.06004	5.8
185.09633	2.1
186.06799	2.1
187.07585	10.0
188.04735	0.6
188.08389	0.6
189.05495	0.9
189.09131	9.5
191.07072	1.6
191.10692	4.3
193.10204	0.7
195.08073	1.6
197.06082	1.0
197.09619	1.7
199.07574	1.6
199.11240	1.0
201.05463	0.7
201.09096	4.7
203.07062	14.8
203.10675	3.8
205.12321	1.7
209.09679	0.8
211.07431	0.7
211.11250	0.5
213.09166	1.2
214.09912	0.5
215.07037	7.8
215.10686	1.8
217.08670	2.0
217.12207	3.8
219.10161	1.2
223.11061	0.6
225.09111	0.7
227.10722	2.1
228.11520	0.9
229.08620	0.8
229.12323	2.1
231.08252	0.6
231.10310	0.6
231.13774	1.1
233.08096	5.0
235.11169	0.6
239.10698	1.1
241.12299	1.9
241.15988	1.0
243.13957	0.8
245.09709	0.5
253.08522	0.5
253.12247	1.1
255.13960	0.5
257.15381	1.7
259.09665	0.8
259.13440	0.7
259.16916	0.8
260.08527	0.6
261.09195	0.8
267.13840	0.6
269.11951	0.5
269.15320	0.8
271.16983	2.3
273.09180	0.7
273.18533	8.9
275.07230	0.5
276.08325	0.5
277.16028	0.5
281.08160	1.5
283.16916	1.6
285.18588	1.2
287.20041	0.8
289.08591	0.7
297.18457	0.8
299.20129	0.6
301.18121	0.7
307.09689	0.6
311.20181	0.9
313.21677	1.8
321.11349	1.5
333.11331	1.2
335.12930	0.8
335.19934	0.7
337.21646	0.8
351.12354	1.6
353.14236	0.9
353.21121	0.6
365.21030	0.7
369.13248	2.2
381.28000	2.0
395.29636	0.5
405.17108	0.9
407.29541	1.0
409.31100	2.0
425.30591	0.9
435.33084	0.7
457.23367	0.7
459.33200	0.5
487.25006	1.6
489.33795	2.4
505.26108	2.6
505.33075	0.6
540.32233	1.2
581.36249	0.8
593.35931	1.0
599.37402	0.8
611.37396	7.5
629.38434	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	629.2247
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.29370	1.3
54.31782	1.0
58.06604	13.3
64.27332	1.0
66.07193	1.0
70.06581	2.0
71.53430	1.4
71.53824	1.3
112.23487	1.2
112.34319	1.0
112.87702	1.1
116.07095	2.5
160.07573	2.0
178.49861	1.1
181.31363	1.1
397.13199	2.6
409.13712	1.5
410.13931	1.9
411.14679	6.0
412.15451	4.4
413.16174	5.5
423.14825	1.6
424.15646	1.9
425.16354	14.9
426.17108	7.1
427.17407	2.7
428.18524	2.4
438.13351	3.7
439.13632	21.4
440.19339	5.9
441.19336	38.2
452.14572	2.7
453.15466	24.7
454.16388	3.8
456.18057	2.3
458.16272	1.4
467.17203	25.3
468.18073	20.6
469.18881	11.0
481.14609	11.1
482.15585	2.1
484.21481	2.7
485.18597	1.9
496.17090	11.2
498.18558	1.6
500.20724	4.6
509.18829	2.1
512.20837	3.0
513.21387	5.0
523.19952	1.3
541.20923	43.1
542.21472	1.5
569.20367	100.0
570.20801	2.0
573.23505	3.0
597.19812	36.9
601.22925	14.4
629.22461	87.7
629.41400	6.6
630.22913	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.05505	1.7
65.03922	0.6
67.05519	3.8
69.03447	0.9
69.07075	1.4
69.84058	2.8
70.06583	0.7
71.05009	0.7
79.05486	1.9
81.03415	1.6
81.07056	3.9
83.04996	0.7
83.08634	1.1
85.02927	1.3
86.62709	0.5
91.05484	1.8
93.07044	2.5
95.08611	4.1
100.57550	0.6
103.03949	1.1
105.07024	1.5
107.08619	0.8
109.02924	0.9
109.10194	1.1
119.04935	1.7
119.08537	0.9
121.02872	7.2
127.00801	0.6
129.45738	0.5
131.54678	0.5
133.10204	0.7
137.05984	1.0
145.02863	1.3
161.13252	1.1
163.03894	0.9
165.01823	3.4
167.03381	0.6
167.07069	1.0
170.45686	0.5
171.02989	0.6
175.07457	0.7
179.14270	0.8
183.02899	1.8
187.03984	0.6
187.07635	0.6
191.03346	0.7
195.02901	1.9
205.01543	0.7
213.05603	1.1
217.04942	0.7
227.07123	0.7
243.02939	0.7
243.06596	1.2
255.06549	2.4
256.07346	3.0
259.06168	0.9
261.03940	0.9
267.06528	1.3
270.05276	1.1
271.06039	9.1
283.06049	30.1
284.06821	17.6
285.07526	1.5
295.06042	17.8
297.07584	4.8
305.08273	0.7
305.55228	0.6
307.06073	0.9
308.06946	1.7
309.07611	2.8
311.05521	1.6
313.07083	100.0
323.05722	1.1
323.09177	4.0
325.07028	2.9
333.07712	1.6
335.05692	0.6
337.07074	14.8
343.08041	1.8
351.08585	2.1
355.08337	0.7
361.07092	3.5
367.08218	2.2
379.08194	7.9
397.09164	6.8
406.17358	1.0
415.10342	11.5
433.11432	0.9
575.22668	1.9
593.23883	7.1
611.24982	21.2
629.26080	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	628.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.05502	3.4
57.03436	2.8
58.06583	1.1
59.04996	0.9
65.03928	1.0
67.05187	0.8
67.05511	10.5
69.03426	3.7
69.07072	4.5
69.30701	6.8
70.06254	1.1
70.06596	13.4
71.05001	1.0
72.07812	1.1
72.08165	16.4
78.60056	0.7
79.05065	1.3
79.05499	16.9
81.03412	4.2
81.06588	1.1
81.07056	15.5
83.04980	4.9
84.08153	1.1
85.02927	2.2
85.06538	1.1
89.38625	0.8
91.05486	18.3
93.07050	17.5
95.04976	7.1
95.08586	5.3
97.02879	0.9
97.06538	19.0
98.06078	1.1
99.04450	1.0
99.08098	1.9
105.07043	14.6
107.04955	7.3
107.08598	15.7
109.02883	1.4
109.06509	3.7
109.10158	2.5
111.04416	1.4
112.08758	4.0
117.07037	6.5
119.04949	2.0
119.08585	9.9
121.06493	3.1
121.10163	6.7
123.04392	1.0
123.11668	0.9
125.05993	1.3
129.06985	2.7
131.08554	6.5
133.06509	8.3
133.10152	7.9
134.05992	1.0
135.04381	1.1
135.08116	1.9
137.05977	1.5
137.09641	5.1
139.09917	2.1
142.07764	1.5
145.02962	1.1
145.10143	2.0
147.04424	2.1
147.08069	2.1
147.11708	14.8
149.09630	9.9
149.13255	2.2
151.03889	2.9
151.07466	0.7
151.11156	3.2
155.56734	0.8
157.10085	2.2
165.05458	1.0
165.12808	0.9
167.07043	14.6
167.10727	2.6
175.11230	4.9
177.05486	1.8
178.84341	0.7
181.04953	2.5
182.05215	1.3
193.08533	0.7
193.12254	4.3
207.06541	2.0
220.17090	1.5
234.58391	0.9
246.18536	6.6
264.19611	19.1
269.37875	0.8
282.20651	68.9
293.14038	0.9
300.21716	100.0
301.21860	1.2
304.16360	0.8
311.14804	1.7
469.48349	0.9
473.33209	0.9
574.33508	1.0
584.30566	2.3
610.36224	3.6
628.30023	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.01872	1.8
55.05501	1.2
62.60994	0.8
66.98251	0.8
67.05508	2.6
69.03443	0.9
69.07058	1.5
70.06594	1.2
71.07195	1.7
79.05495	9.1
81.03465	0.9
81.07075	2.1
85.02898	1.3
89.85371	0.8
91.05483	6.9
93.07053	15.1
95.04990	1.5
95.08617	5.2
97.02905	0.8
97.06570	4.3
98.44077	1.0
103.05460	6.1
104.06200	0.9
105.07040	57.7
107.04945	1.4
107.08604	21.6
109.10165	2.4
115.05464	10.9
118.04145	3.7
119.08539	1.0
124.54379	1.0
131.04922	2.8
133.06506	52.5
135.04489	1.5
135.11707	7.0
139.76416	1.0
143.04968	1.1
143.06053	3.6
147.04382	0.9
153.12775	1.2
161.05995	100.0
162.06375	1.0
167.07088	4.8
168.91579	0.9
193.08623	88.7
196.60803	1.0
201.70299	1.0
207.10147	0.9
211.50595	0.9
315.05118	1.4
362.69412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
55.01876	2.4
55.05513	3.1
57.07083	1.3
59.22082	0.9
65.03931	1.7
67.05512	4.3
69.03436	1.4
69.07073	2.8
70.06593	2.7
71.53194	1.4
72.08195	1.3
75.91503	1.0
79.05507	12.7
81.03434	2.9
81.07072	9.3
85.02885	1.6
88.72345	1.0
91.05486	24.5
93.07053	100.0
95.04996	3.6
95.08613	4.5
97.02897	1.0
103.05486	3.3
105.07039	35.3
107.04976	2.7
107.08607	54.1
109.02927	1.1
109.06511	2.9
109.10162	3.4
115.05462	5.3
119.06062	1.2
119.08590	5.3
121.06526	1.6
123.04416	1.3
127.03910	1.9
129.07018	1.1
133.06508	24.6
135.11707	89.5
143.06084	2.1
145.06523	1.1
147.08089	1.7
149.05997	4.0
151.03889	1.4
152.14345	1.5
161.04652	2.3
161.06000	47.6
167.07056	23.7
175.07532	1.4
175.14902	1.2
181.08592	3.7
187.03934	3.0
187.07574	1.5
193.08630	38.4
205.08658	1.5
207.10187	4.0
209.08000	4.7
219.10258	2.6
233.11745	1.7
241.12245	1.2
247.13260	2.5
271.13400	1.8
273.14743	1.4
289.14337	2.6
295.11951	1.1
327.20059	1.1
377.88147	1.3
400.67578	1.1
482.19949	1.3
628.27612	1.1
639.25226	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.401
Annotation	Somocystinamide A byproduct
Peak:m/z	Relative Intensity
56.05041	0.5
58.06607	100.0
67.05520	1.2
69.03427	0.5
69.15223	0.4
69.85132	1.7
72.05502	0.5
78.69118	0.3
79.05502	1.0
81.07077	1.4
91.05500	0.9
93.07047	1.3
95.04979	0.4
95.08608	0.8
103.15086	0.4
105.07049	0.6
107.08630	0.5
115.05495	0.9
115.85472	0.4
116.07086	0.8
117.05794	0.5
119.08627	0.5
121.10180	0.4
128.39288	0.4
131.08623	0.5
132.08145	1.1
146.06018	6.7
146.07077	0.5
148.07631	0.9
159.03571	0.4
160.07596	13.9
162.09155	0.4
185.08444	0.5
188.07062	0.7
198.09274	0.6
205.13463	1.0
299.55838	0.4
299.66766	0.4
303.04913	0.4
420.29398	0.7
546.32281	0.9
582.34393	1.1
627.40112	45.8
628.40686	1.2
641.02643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.01878	10.1
55.05512	30.5
56.04235	2.1
57.03456	9.4
57.07073	7.4
57.15412	1.8
60.32061	1.7
61.89339	2.0
65.03941	3.8
67.05511	68.5
69.07075	32.3
69.24948	18.0
70.80448	1.9
71.05005	3.6
71.08639	48.1
71.15546	2.0
72.29729	1.7
79.05502	56.6
79.05969	2.9
81.03448	5.6
81.07066	71.2
83.04995	8.0
83.08622	15.4
85.06570	3.0
89.06023	1.8
91.05489	53.6
93.07052	64.7
95.01390	2.4
95.04987	9.9
95.08614	47.2
97.06542	20.3
97.10195	8.9
99.08107	29.0
105.07044	55.2
107.04981	8.9
107.08607	35.6
109.06557	4.4
109.10171	21.9
111.08126	4.8
113.09675	3.4
117.07004	16.9
119.08584	44.6
119.09367	3.3
121.06564	1.9
121.10146	22.0
123.08055	3.0
123.11728	6.3
125.09663	6.0
128.06282	2.3
129.06995	13.4
131.08578	34.1
133.10143	34.2
135.08066	3.4
135.11693	23.0
137.09648	2.8
141.07011	5.5
141.09123	2.2
142.07825	3.1
143.08577	18.5
145.10126	29.3
147.11691	27.1
149.09634	4.1
149.13272	12.4
151.11203	12.0
155.08630	7.0
157.10129	14.4
159.11707	23.0
161.13269	21.3
163.11247	6.2
163.14868	3.7
165.12808	2.2
167.08691	3.7
169.10173	11.8
171.11725	15.0
173.11827	3.6
173.13235	16.7
175.14862	9.0
177.12804	5.4
179.14345	34.9
181.10196	5.5
183.11703	8.9
185.13293	13.7
187.14874	4.7
189.11269	2.8
189.12846	2.7
195.11749	5.6
197.13255	5.1
199.14886	8.6
201.16365	3.6
205.10158	2.2
209.13313	3.3
211.14877	3.2
213.16507	4.7
215.18019	4.5
219.17529	3.1
221.13280	2.1
225.16537	3.2
231.21182	4.1
235.17014	2.9
237.57309	2.3
239.18060	2.7
240.41611	2.2
241.19493	16.0
243.21175	5.6
257.19089	5.2
259.20590	24.8
261.22278	3.3
264.01804	1.8
267.21503	2.0
273.18808	2.0
275.20047	27.1
277.21664	31.5
293.21188	7.0
295.23047	2.5
313.27655	2.5
314.27869	1.9
315.23441	5.0
317.24680	4.3
333.24213	21.2
334.11517	1.9
335.25894	15.5
337.71698	1.9
349.23669	14.5
351.25305	31.5
419.33292	5.3
435.32797	2.3
437.34348	13.6
455.35596	2.9
475.35202	2.6
501.35638	2.9
511.37927	12.3
513.36017	3.1
515.37695	3.4
517.40680	5.9
527.37097	2.5
529.38782	2.6
535.41559	6.7
553.42596	7.3
609.45172	84.1
627.46277	100.0
628.47278	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	627.2819
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
53.03966	0.4
55.05521	0.7
58.38655	0.3
67.05516	0.6
68.17091	0.3
70.06596	1.4
71.52676	0.4
79.05507	0.8
81.03423	0.7
81.07073	0.4
83.04971	0.5
91.05519	0.7
93.07022	0.6
95.04974	0.4
108.08122	0.5
109.46046	0.4
116.07094	1.5
119.08514	0.4
120.04486	0.4
121.10146	0.5
129.07013	0.7
131.07370	0.6
133.10211	0.4
136.07588	1.6
146.06046	0.6
146.09650	0.7
170.09602	0.7
172.07596	0.8
174.09187	3.2
183.09196	0.6
187.08751	1.1
187.12312	3.3
188.10765	2.3
197.92696	0.5
198.07710	0.5
198.09349	0.5
210.07803	0.6
211.08682	1.1
212.09488	0.6
215.11806	2.4
224.09418	0.5
225.10271	2.4
227.11824	2.4
235.08742	1.2
237.10161	0.6
238.11150	0.5
239.11888	2.3
241.09924	0.5
241.13445	1.9
243.08791	0.8
243.11308	17.1
249.10353	1.3
250.11012	0.5
251.11896	1.1
253.09793	1.3
261.10269	0.5
263.11981	0.7
265.09726	0.8
265.13681	0.4
267.11325	5.4
269.12851	1.5
277.09814	1.4
285.12473	1.8
290.66110	0.4
291.11203	1.4
295.10684	3.0
299.14026	1.2
300.11557	0.6
301.15543	2.8
309.12451	1.7
314.12888	1.1
315.13754	0.9
316.10861	1.2
316.14474	0.7
318.12540	0.6
319.10739	1.1
320.14072	0.7
323.13989	0.5
325.15601	6.3
326.13287	0.6
326.17029	0.5
327.13425	4.5
328.10809	1.3
328.14420	1.1
329.11826	0.9
329.15625	0.5
330.12527	1.7
330.16168	0.8
331.13089	1.2
332.14063	0.6
333.11761	0.4
334.15540	0.6
340.14536	0.5
341.11682	0.7
342.12378	2.8
342.16098	0.7
343.13251	2.1
343.17020	0.8
344.13974	2.5
345.14771	0.5
346.15540	1.2
348.13434	1.7
351.13403	1.2
352.14218	0.5
354.12357	0.8
355.13156	0.8
356.13748	2.0
357.14896	1.1
358.15417	2.5
360.17065	1.1
362.15277	0.7
368.14319	0.6
370.15823	2.0
371.16531	0.5
372.13220	0.6
372.17139	3.4
373.18155	0.9
374.14911	0.6
384.13132	0.7
384.17404	1.0
386.14984	1.6
386.18857	1.5
398.15030	0.6
400.16772	2.1
403.16290	1.2
405.17520	0.6
406.17676	0.5
412.16519	0.7
416.15909	0.6
418.17688	1.4
419.18158	0.8
421.16895	0.8
422.17419	0.8
423.18839	0.5
428.16434	0.6
430.17831	1.8
431.18536	1.7
432.19656	3.1
434.20905	0.6
435.14160	1.1
435.18906	0.9
436.19974	0.9
437.19745	1.7
444.19595	0.6
447.21735	1.7
448.15326	0.9
449.15451	0.7
449.20581	0.9
450.16187	0.7
451.17807	1.9
460.18460	1.3
461.23495	1.5
462.19623	0.7
462.25018	0.8
463.21307	2.2
464.18420	0.7
465.18921	9.4
466.19852	0.9
472.18591	0.6
474.19974	0.5
475.21030	0.6
477.19354	1.6
478.20096	1.7
479.20438	4.3
480.21823	3.1
481.22708	2.3
489.23026	1.3
490.20880	1.7
491.20676	1.3
492.21872	2.0
493.23175	2.7
494.23233	0.7
502.20114	0.5
504.21207	2.1
506.23346	0.9
507.24072	3.2
517.22614	1.6
520.21039	1.8
521.26422	1.0
522.25159	0.7
535.23438	4.6
539.26733	0.7
540.23578	0.6
541.24359	1.4
549.24994	10.5
550.23462	0.6
552.23865	0.7
553.24536	1.1
563.22784	0.5
567.26093	44.8
568.26660	1.0
577.24548	0.9
595.25537	31.6
599.28809	0.6
609.26892	0.8
627.28143	100.0
628.28455	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60633	0.2
51.69921	0.2
57.03423	0.2
58.06601	0.3
61.02933	4.1
64.64394	0.2
66.19407	0.2
68.99788	0.4
69.03416	0.9
70.06577	0.7
71.52418	0.3
72.08158	0.2
73.02932	1.1
81.03415	0.3
83.03059	0.2
84.08118	0.3
85.02441	0.3
85.02914	4.1
87.04476	0.2
91.03957	1.9
93.03438	0.3
97.02905	2.2
99.04410	0.4
109.02870	0.5
111.00797	0.8
115.03907	0.3
120.08111	0.2
121.02855	0.7
123.04425	0.5
127.03922	0.9
137.02359	2.7
137.03343	0.4
138.09119	0.3
145.04955	0.4
149.02301	0.3
151.03876	0.4
153.01831	2.9
163.03923	0.9
165.01845	1.9
177.05559	0.2
183.02931	0.6
183.04449	0.2
187.03966	0.2
195.02875	0.4
201.05460	1.3
208.22612	0.2
209.09258	0.3
229.04976	3.3
247.06052	0.7
257.04456	2.4
274.04636	0.5
285.03961	1.0
303.05011	100.0
304.05347	1.1
317.71005	0.2
319.04532	0.3
463.82364	0.2
465.10333	10.9
466.10687	0.2
468.43127	0.3
627.22266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24619	0.3
55.25650	0.2
57.35705	0.2
69.49846	1.1
69.50249	0.4
74.02458	0.7
74.32617	0.2
79.05481	0.3
85.02928	0.3
89.58846	0.2
91.05478	1.2
93.07050	0.4
105.07072	0.4
115.05462	0.4
117.05774	0.5
117.07011	1.2
118.06551	13.9
119.08560	0.5
121.06535	0.8
130.06535	1.1
130.30246	0.2
132.08104	4.3
133.06520	0.4
135.08058	0.3
137.05986	0.3
139.07504	0.3
141.05495	0.3
142.06549	1.5
143.07320	1.7
143.08463	0.5
144.04431	0.6
144.08095	11.7
144.09227	0.6
146.06021	56.4
147.06367	0.5
147.08083	0.6
149.06000	0.4
154.73935	0.2
155.06073	0.4
159.09195	6.4
160.07587	0.8
161.09711	0.5
163.03944	0.5
163.07497	0.4
165.09120	0.8
167.07065	0.6
170.06020	4.5
170.17883	0.2
181.08615	0.5
185.08258	0.3
188.07080	100.0
189.07411	1.2
189.09065	0.4
205.09741	51.0
206.10097	0.3
207.10173	1.8
221.09183	0.3
225.11227	1.6
243.12326	2.5
261.13333	1.4
276.99496	0.2
303.04852	0.4
309.91763	0.2
346.53787	0.2
353.16751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33686	0.1
53.03951	0.3
54.50677	0.1
55.01875	0.3
57.03432	0.7
61.02931	1.1
68.99803	0.4
69.03439	2.1
70.06593	0.8
70.33025	0.1
71.04988	0.3
71.51565	0.2
73.02929	0.4
81.03418	1.4
83.01351	0.2
84.08147	0.2
85.02911	6.9
87.04440	0.2
89.54455	0.1
91.03960	0.4
93.03414	0.2
95.04947	0.2
97.02903	2.3
99.04478	0.4
103.05473	0.1
104.29801	0.1
109.02905	1.0
111.00812	0.6
121.02888	0.7
123.04371	0.2
126.54356	0.1
127.03925	1.8
129.10236	0.2
130.24426	0.1
131.04926	0.3
133.06441	0.3
135.04373	0.2
136.07649	0.2
137.02345	2.5
145.04970	1.3
147.04399	0.1
149.02354	0.3
153.01823	3.0
155.04970	0.2
161.06004	0.3
163.03932	0.6
165.01848	1.6
166.02783	0.2
173.05969	0.3
177.05605	0.1
183.02905	0.5
195.03076	0.2
201.05460	1.2
219.06494	0.3
229.02895	0.3
229.05006	3.8
247.06029	0.8
257.04492	2.3
274.04843	0.5
285.03925	1.2
303.05011	100.0
304.05286	0.9
331.57120	0.1
392.80148	0.2
465.10352	9.4
466.09900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1557
Annotation	quercetin-3-gentiobioside
Peak:m/z	Relative Intensity
53.03943	0.3
55.01868	0.6
57.03431	0.7
59.44914	0.2
61.02927	1.2
62.26263	0.2
68.99794	0.4
69.03439	2.3
71.04993	0.2
71.16716	0.3
71.17030	0.2
72.94685	0.2
73.02929	0.3
80.76127	0.2
81.03419	1.4
85.02914	9.1
87.04525	0.2
91.03947	0.4
93.03404	0.4
93.56930	0.2
95.04961	0.2
97.02899	3.0
99.04478	0.5
109.02888	0.9
111.00829	0.6
114.84388	0.3
115.57442	0.3
121.02870	0.8
127.03950	1.9
137.02341	2.9
145.04967	2.5
149.02406	0.3
153.01831	3.1
163.03894	0.4
163.06004	0.3
165.01877	1.4
166.02644	0.3
173.05974	0.4
183.02853	0.6
183.04364	0.2
187.03934	0.3
191.96889	0.2
195.02914	0.2
201.05534	1.2
224.27031	0.2
229.04991	4.1
247.06030	0.6
257.04501	2.2
274.04858	0.9
285.03964	1.0
303.05014	100.0
304.05359	1.1
345.06036	0.6
385.83960	0.3
465.10202	0.5
580.57916	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01868	1.8
57.03425	0.8
67.05501	2.0
69.03421	2.6
70.06574	3.0
71.53575	1.0
72.08150	3.1
72.32247	0.7
78.03452	3.2
79.05494	3.9
80.04985	1.2
81.03419	6.1
81.07050	1.9
84.08148	1.0
85.02898	3.9
86.09704	1.2
91.05483	8.9
93.07047	5.4
94.04183	3.6
95.04965	3.1
95.08629	1.2
97.02892	1.9
102.04742	0.8
103.05469	5.5
105.07037	12.6
106.02921	15.6
107.01136	0.7
107.04944	2.0
107.08614	1.4
109.02879	3.3
109.06516	1.4
115.05459	2.7
117.07025	4.3
119.04947	2.6
119.08580	3.0
120.08080	1.0
121.06493	5.2
121.10114	1.2
122.03671	7.3
124.03963	30.0
127.03912	2.6
128.06244	1.0
129.06989	2.9
130.04214	1.3
131.04924	2.4
131.06000	0.9
131.08536	1.3
132.05713	1.6
133.02766	0.9
133.06506	8.5
133.10144	1.1
133.89977	0.8
134.06046	1.3
135.04410	1.2
137.05983	100.0
138.06395	0.9
143.04950	1.5
145.02852	1.5
145.06493	4.7
147.04404	3.2
147.08067	5.0
149.05994	11.3
151.03926	4.1
151.07587	1.3
152.04283	0.8
155.04932	2.1
159.08032	2.3
160.05180	1.4
160.61426	0.7
161.05983	23.7
162.06760	5.6
163.03868	2.0
163.07568	1.1
173.05989	2.1
175.07556	26.6
177.05440	2.3
177.09171	1.8
178.05913	0.8
179.08528	0.9
181.05049	3.9
182.05362	1.8
187.07562	14.3
189.07097	0.8
189.09218	1.3
190.07816	2.0
191.08551	10.3
193.06677	0.9
193.08643	3.4
194.05214	0.9
199.07503	1.8
202.07613	1.1
203.08643	1.5
205.04948	1.2
205.06729	0.9
205.08597	1.9
207.06369	1.5
207.08075	1.1
208.08841	1.2
209.05980	0.8
217.04939	0.9
218.07272	2.7
219.08076	15.3
220.08849	1.9
231.08147	1.7
235.05931	2.5
235.07870	1.4
236.06396	1.4
236.08372	3.0
247.07639	6.4
248.08368	1.7
250.07158	4.7
251.10669	26.5
260.08353	0.8
261.09036	1.2
263.10593	1.3
264.07788	1.9
265.08646	0.9
266.07507	1.6
267.10147	0.8
268.08173	17.7
269.11722	1.4
278.07339	1.1
279.10187	24.5
280.10886	1.7
281.08145	1.4
291.10114	3.6
295.08197	1.2
295.13232	2.1
296.10449	2.2
298.20218	1.1
309.11154	1.4
311.12778	87.8
323.12711	8.6
329.13791	2.8
341.13843	3.6
353.22202	0.7
566.19958	1.2
578.20258	26.5
590.20068	2.8
596.21063	1.6
608.20624	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.4
53.03955	0.8
60.57632	0.5
65.03938	1.1
67.92756	0.4
69.03443	1.4
70.06614	2.1
71.04980	0.5
71.53584	0.6
72.08172	1.3
74.00673	0.6
77.03954	0.5
79.05509	1.3
81.03429	3.9
81.07071	0.7
83.94831	0.4
84.08145	0.7
85.02924	2.2
88.03983	0.5
89.76646	0.5
91.05488	5.9
93.07069	0.8
97.02907	1.7
103.05470	0.4
106.02948	0.7
107.04976	4.1
107.08571	0.6
109.02927	2.5
111.04510	0.5
114.05531	2.4
119.04958	16.5
120.01227	1.1
120.99598	0.7
121.02905	0.8
123.04428	0.9
124.03952	1.3
127.03957	1.4
131.04909	0.7
135.04477	0.7
137.05981	3.1
138.02240	2.1
143.10034	0.5
145.02821	0.9
145.35892	0.5
147.04428	100.0
151.02161	1.1
151.03911	11.9
159.04448	3.9
163.03926	73.6
164.04210	0.7
164.87799	0.5
165.05476	4.4
172.07660	0.5
174.08752	2.4
175.07584	0.8
177.05424	0.8
181.04984	35.2
187.07556	1.1
209.02789	0.9
217.41351	0.5
237.23241	0.4
266.04822	3.0
268.08057	0.7
271.09799	0.5
281.08047	0.8
282.04315	0.5
282.20538	0.8
283.20868	1.0
290.80814	0.5
291.08505	3.1
300.05249	1.5
300.08423	0.6
300.21613	0.9
301.22025	1.5
303.05017	2.6
309.07455	25.2
318.06482	3.8
323.12796	0.7
327.08670	3.4
341.13773	1.4
359.06079	0.6
388.92358	0.5
428.10013	1.3
435.10651	0.6
446.10956	1.8
453.07028	0.5
453.11920	5.4
453.34357	0.6
459.39630	0.5
471.12955	6.5
502.17108	0.8
503.09671	0.7
534.84088	0.5
626.26971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87178	2.0
53.03949	6.1
55.01879	18.9
55.05518	25.1
57.03441	9.0
57.07090	4.1
65.03931	2.8
67.05509	54.3
69.07072	50.9
71.08612	2.3
74.64487	2.1
79.05071	3.0
79.05505	40.6
81.03422	4.8
81.07063	60.2
83.04990	3.8
83.08628	9.4
85.06556	2.7
91.04915	2.3
91.05490	41.5
93.07050	42.5
95.01341	3.1
95.04979	7.1
95.08624	35.6
97.02858	2.1
97.06536	24.2
97.10194	6.9
103.05528	3.0
105.07040	53.7
107.04973	9.2
107.08611	24.5
109.06559	6.2
109.10175	11.9
111.08112	4.4
113.09656	2.5
116.02773	1.9
117.06992	21.1
119.08602	41.0
119.09354	1.5
121.06537	4.6
121.10157	15.8
123.08080	4.7
123.11767	3.3
125.09705	2.9
129.07005	15.9
131.08563	28.3
133.10124	25.8
135.08075	4.6
135.11746	10.9
135.91742	2.1
137.09673	4.1
141.07014	5.0
143.08572	19.0
145.10121	32.7
147.08084	3.0
147.11697	17.6
149.09668	6.7
149.13321	5.8
155.08551	11.7
157.10103	19.3
159.08229	2.5
159.11710	25.3
161.13251	12.0
163.11227	4.2
167.08580	4.9
169.10115	14.5
171.10371	3.7
171.11694	17.2
173.13307	13.2
175.14922	7.4
177.12912	2.3
179.14362	4.6
181.10168	8.7
183.11731	11.6
185.13242	14.1
187.11282	4.7
187.14883	6.7
189.12796	2.9
195.11787	8.1
196.12375	2.6
197.13284	10.1
199.14853	6.8
207.11801	5.9
209.13295	7.8
211.14861	7.9
213.16412	3.5
215.17961	2.8
221.13351	2.7
223.14941	4.6
223.49629	2.4
225.16437	4.6
231.21292	2.1
235.14853	4.6
239.18062	4.2
241.15933	3.4
241.19518	10.6
257.19089	6.3
259.20602	15.9
271.20724	2.3
273.18542	5.3
275.20105	27.8
275.22791	2.8
277.21558	2.5
285.18951	2.2
293.21231	3.9
297.22131	2.5
313.80930	2.4
315.23621	2.9
331.22751	2.9
333.24277	14.6
349.23688	20.8
421.30887	3.0
435.32446	3.5
437.34399	9.2
445.30939	2.7
493.36853	2.3
511.38058	10.8
513.35803	7.4
515.38873	3.4
527.37457	4.6
529.38763	3.3
533.39954	7.8
551.41003	6.1
555.36548	3.2
557.50507	2.4
565.24664	4.7
607.43671	58.1
625.27600	23.1
625.44659	100.0
626.27856	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	625.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.01875	7.9
55.05519	26.6
57.03440	4.2
57.07078	2.6
59.05009	2.3
61.78885	1.7
67.05181	3.1
67.05515	42.2
69.03439	3.6
69.07076	17.9
70.06593	8.4
71.04986	2.9
71.52104	1.6
72.08158	1.8
79.05506	29.0
81.07070	42.1
83.04974	4.5
83.08631	13.5
86.09726	6.3
91.05490	28.2
93.07055	28.8
95.04975	4.6
95.08624	30.8
95.94453	1.8
97.06553	11.1
97.07095	1.8
97.10183	8.3
97.20254	1.7
99.08097	3.1
105.07049	27.1
107.04941	4.5
107.08604	22.2
109.06534	4.3
109.10189	17.3
111.08075	2.5
115.05442	3.2
116.07082	9.5
117.06999	14.9
119.08591	24.5
121.06541	2.1
121.10123	11.6
123.08103	2.4
123.11734	6.2
125.09642	3.7
128.06233	4.2
129.07022	12.1
131.08572	22.0
133.10158	18.0
135.08063	3.5
135.11748	9.2
137.05978	3.9
137.13292	2.5
140.14394	3.3
141.07037	5.7
143.08589	17.0
144.09303	1.9
145.10147	17.7
147.11710	12.7
149.09645	4.0
149.13239	4.5
155.08598	12.1
156.09386	2.2
157.10165	16.9
159.07991	1.8
159.11688	13.6
161.13292	5.3
163.14937	2.6
165.06987	2.2
167.08598	4.1
169.10179	10.3
170.11015	2.8
171.11714	13.4
173.09688	2.8
173.13284	7.3
175.07594	2.3
175.14764	2.8
179.08620	3.1
181.10143	6.5
183.11719	13.4
185.13269	8.6
187.13365	3.1
187.14885	4.0
189.11281	3.3
193.10143	2.6
195.11790	8.9
195.13454	2.0
197.13286	8.5
199.14844	6.4
201.16354	2.5
206.96916	1.8
207.11647	4.5
209.13347	7.5
211.14890	6.5
213.16464	3.4
221.13417	3.0
223.14952	5.3
225.16457	2.3
227.12839	2.8
237.16499	3.5
239.18060	4.5
241.19603	3.2
253.19597	2.3
259.20648	4.3
265.19669	2.5
271.20657	2.2
275.20111	8.9
277.21844	2.8
291.19669	2.3
333.24261	2.7
335.26529	2.2
349.24072	5.9
353.24756	1.8
365.28421	4.9
403.29245	2.4
407.43344	2.1
421.31293	3.4
495.34464	4.2
513.35815	15.0
515.38837	4.4
521.85852	2.4
527.37463	2.0
533.40039	7.1
551.41077	5.4
555.36072	2.2
589.42499	3.3
607.43665	41.0
625.27411	5.6
625.44666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
55.01880	28.8
55.05519	31.9
57.03435	8.2
57.07081	4.1
65.03933	4.9
67.05181	4.1
67.05513	59.9
68.67432	2.0
69.07076	66.0
69.59944	5.7
69.60347	11.4
70.06604	35.6
71.04976	3.9
71.06933	4.7
71.08621	2.4
71.42812	2.6
78.55041	2.4
79.05071	4.3
79.05502	48.1
81.03413	7.9
81.07062	59.1
83.04990	7.0
83.08614	12.0
85.06554	4.4
91.05489	66.3
93.07050	50.9
95.01299	4.7
95.04979	10.5
95.08613	41.2
97.06540	36.9
97.10178	7.1
98.21500	3.3
104.76741	2.4
105.04499	3.1
105.07041	67.7
107.04963	15.7
107.08598	27.1
109.06510	8.4
109.10181	16.7
115.05440	4.9
116.07102	56.9
117.06903	20.2
117.07594	3.1
119.07806	3.9
119.08598	48.9
121.06560	3.7
121.10158	17.0
122.01722	2.4
123.04437	4.1
123.08052	5.4
123.11700	3.4
125.09624	5.7
128.06212	4.1
129.07013	17.3
130.07814	2.6
131.07629	3.4
131.08595	35.8
133.10139	32.7
135.08063	4.0
135.11725	12.6
141.06976	6.6
142.07784	3.9
143.08589	22.8
145.10132	35.8
147.08075	2.9
147.11688	27.4
149.09636	7.9
149.13303	8.6
155.08586	14.8
157.10135	25.3
159.11687	28.7
161.13281	13.3
162.49736	2.4
163.11209	4.8
167.08649	5.4
169.10100	16.2
171.10258	3.9
171.11679	24.5
171.38968	2.8
173.13289	18.3
175.14844	9.4
177.12753	2.3
179.14278	5.6
181.10170	10.5
183.11694	11.4
185.09685	3.1
185.13232	17.9
187.11217	3.1
187.14856	8.4
193.10205	4.9
195.11749	11.1
197.13318	8.2
199.14885	8.1
201.12819	3.6
201.16290	3.2
203.14554	2.5
207.11699	4.8
209.13350	7.1
211.14851	3.9
213.16484	6.0
215.18018	4.1
223.14824	4.7
235.14819	4.2
237.16458	4.2
239.18056	2.7
241.19583	19.3
241.27898	2.4
257.19046	8.6
259.20596	25.3
273.18762	4.0
275.20117	46.4
277.21790	2.8
293.21207	6.4
303.73572	2.7
313.21823	4.8
315.23364	9.6
331.22614	3.2
333.24237	26.3
347.22617	2.4
349.23889	29.4
435.32870	5.6
437.34128	15.5
453.33871	3.5
455.35602	3.3
481.32895	2.6
511.37863	13.3
513.35834	9.3
515.38763	5.1
527.37231	8.5
529.38525	5.4
533.39984	7.2
551.41046	7.1
565.28571	5.5
589.42963	4.1
597.45551	6.2
607.43585	68.7
625.29578	17.6
625.44653	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
56.70399	0.4
57.03438	0.5
64.65618	0.3
67.05502	1.7
69.07060	0.5
69.14324	0.4
69.36821	0.9
69.37225	2.4
79.05494	1.2
81.07064	1.8
83.05003	0.6
83.08612	0.7
85.06538	0.4
91.05509	0.7
93.07050	1.3
95.05000	0.4
95.08635	1.0
104.30740	0.4
105.07038	1.1
107.08608	1.1
109.06541	0.6
109.10173	0.6
113.06017	0.6
113.62565	0.4
115.57249	0.4
117.07025	0.6
119.08639	0.9
121.10183	0.6
131.08578	0.9
135.08084	0.5
135.11729	0.5
145.10130	0.7
147.11801	0.4
173.13382	0.5
273.18658	0.6
291.19650	1.3
298.13382	0.4
368.21387	0.4
377.17599	0.9
379.19287	0.9
390.18567	0.7
391.19333	1.6
392.19913	0.9
393.20801	1.2
404.20035	0.5
405.16666	2.5
405.21689	0.7
406.17764	0.7
406.22372	0.5
407.18185	0.5
407.22522	4.8
408.23325	0.6
419.17874	3.1
419.23239	1.2
420.19492	1.7
421.20078	2.2
431.18649	0.6
433.19797	4.6
434.21417	3.3
435.21863	6.3
437.23505	0.7
445.20221	0.9
446.21051	0.8
447.22079	2.2
449.19437	2.8
450.20425	0.5
451.25299	1.1
459.22775	0.5
460.22650	0.8
461.23508	1.6
463.20624	2.2
464.22272	1.4
465.22931	1.5
477.22873	2.1
478.23618	4.8
479.24796	4.1
480.25089	0.4
491.24792	2.0
505.25595	0.5
507.23883	0.8
510.26355	0.6
518.23376	0.5
521.25494	9.7
523.23059	1.8
537.25092	1.2
547.27087	1.2
549.24695	0.4
553.27417	0.4
558.33661	0.5
565.28198	20.5
566.28345	0.5
581.27655	2.8
593.27698	0.5
597.30756	0.5
607.28748	0.7
607.43250	0.6
625.30280	100.0
626.30591	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.9
64.55384	0.6
67.05503	3.7
69.07055	1.9
69.92096	1.4
69.92506	2.5
71.08624	1.0
79.05499	3.1
81.07069	4.2
83.04963	1.2
91.05486	2.2
93.07054	3.1
95.08594	2.3
98.21494	1.3
102.09899	0.7
105.07037	1.9
107.08588	2.4
117.07063	1.0
119.08578	1.4
122.02103	0.8
131.08586	0.7
133.10118	1.3
143.08653	1.0
144.01724	0.7
145.10123	1.1
159.11745	1.0
161.09644	0.7
168.48782	0.7
191.37032	0.6
234.58031	0.7
235.15952	0.6
245.19214	0.8
273.18668	0.8
277.21765	1.0
291.19656	2.3
344.48108	0.6
345.89072	0.6
377.17667	2.4
378.18948	0.9
389.18149	1.1
390.18539	1.7
391.19247	2.8
392.19980	2.2
393.20944	0.9
403.19125	0.9
404.20163	1.2
405.20801	7.4
406.21555	2.2
407.22415	6.3
419.22614	4.2
420.22925	3.2
421.23883	8.0
433.24298	1.5
434.24719	2.4
436.18716	1.1
437.20288	0.8
447.21533	1.7
449.19345	1.5
450.20755	1.5
451.21338	17.0
452.22092	3.0
460.22955	0.9
461.23517	1.0
464.21686	1.6
465.22934	15.3
466.23639	3.5
473.19894	0.8
478.23172	1.3
479.24628	2.0
487.20880	1.0
491.20892	2.1
492.21686	2.4
493.26181	11.2
503.24500	7.9
505.22723	1.1
509.22159	3.8
519.23853	1.2
521.25537	7.9
523.23407	9.3
537.25061	5.7
538.25806	17.4
547.23389	2.4
565.24628	11.0
566.25415	2.4
581.27277	4.6
607.25690	6.0
625.26660	100.0
625.44342	5.8
626.26801	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	625.1766
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03955	0.4
55.01869	0.4
55.05505	0.2
57.03438	1.6
61.02917	0.4
63.36900	0.2
66.39525	0.1
69.03434	1.0
70.06586	0.3
71.04996	9.0
71.52557	0.2
73.02902	0.6
75.04477	0.5
79.50367	0.1
81.03428	0.8
81.07028	0.2
83.04966	0.5
85.02907	12.9
87.04472	0.3
92.02644	0.3
93.03394	0.7
97.02902	1.1
99.04450	0.3
100.11215	0.2
106.64185	0.1
107.52537	0.1
109.02892	0.4
111.00803	0.3
111.04456	0.3
121.02864	0.6
126.03186	0.2
127.03906	1.0
129.05484	2.6
135.04422	0.2
137.02319	0.2
137.05933	0.8
138.06288	0.3
139.03911	0.4
145.04965	0.9
147.06505	0.8
151.03902	1.2
153.01826	5.0
161.06001	0.2
165.01868	0.5
183.03001	0.2
201.05496	0.4
203.03419	0.3
210.14822	0.2
212.06644	0.2
217.05014	0.3
218.05707	0.3
219.02943	0.2
228.04205	0.7
229.04990	1.9
231.02760	0.2
245.04402	0.6
246.05196	1.2
256.03690	0.2
257.04456	1.4
260.03290	0.2
261.07428	0.2
271.06036	0.2
273.03867	1.3
274.04739	3.9
284.03168	0.4
285.03918	2.9
302.04221	10.2
311.12759	0.2
312.13132	0.4
317.06555	100.0
318.07025	0.9
359.07816	0.2
461.81638	0.2
479.11646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23118	0.4
53.03938	1.4
55.01860	0.7
55.05515	2.4
57.03443	2.9
58.06590	0.8
60.55577	0.4
61.02919	0.5
64.18650	0.4
65.03943	0.8
67.05178	0.6
67.05511	7.1
69.03436	2.1
69.07073	3.4
70.06588	1.8
70.52062	0.4
71.04989	1.3
71.21481	0.4
71.53088	0.5
72.08162	13.3
74.06081	2.1
77.29333	0.5
79.05070	0.9
79.05504	12.2
81.03424	3.1
81.07068	8.9
83.04978	4.6
84.08149	1.5
85.02909	3.5
85.06541	1.1
86.09676	0.6
91.05490	13.7
93.07055	8.6
95.04990	4.4
95.08625	4.5
97.02879	1.7
97.06538	20.3
98.06091	1.1
99.04462	0.7
99.08087	1.7
105.07037	12.2
106.02925	0.5
107.04966	6.7
107.08609	10.7
109.02876	0.5
109.06531	2.2
109.10149	1.3
111.08052	0.5
116.07110	1.3
117.06210	0.6
117.07021	4.7
119.04977	1.1
119.08603	7.4
120.08115	0.4
121.06500	1.3
121.10156	1.9
123.04431	0.7
123.08075	0.9
123.11663	0.6
124.03964	1.3
126.09126	0.4
127.03936	0.6
128.07068	1.1
129.07018	3.3
131.08577	4.6
133.06514	6.9
133.10146	7.3
135.08040	2.9
137.05980	1.5
137.09621	4.1
139.09914	0.8
142.07834	1.1
144.06544	1.1
145.04951	0.6
145.10130	0.9
145.56374	0.4
147.04385	0.9
147.08040	1.3
147.11700	12.9
149.09637	0.9
151.03906	2.6
151.07561	0.7
151.11218	2.3
157.10139	2.3
160.07628	0.9
161.06110	0.5
162.07605	0.4
163.03963	0.8
165.12733	0.5
175.03893	1.2
175.11203	5.3
177.05498	1.2
179.07040	0.6
186.07680	0.5
190.80344	0.4
193.04961	0.8
193.12276	3.5
200.68929	0.5
202.54044	0.4
207.06540	1.6
220.16994	0.6
246.18564	4.4
252.30467	0.4
260.11276	0.5
264.19620	18.0
268.08179	1.3
278.12296	0.5
282.20657	54.1
283.20880	0.8
298.04553	0.6
300.21710	100.0
301.21997	0.8
313.07004	3.2
317.06537	1.6
343.08188	2.6
353.10068	0.8
367.08102	1.9
391.07590	0.5
397.09134	1.5
409.09167	0.6
427.10434	0.9
432.11789	0.6
444.25732	0.6
445.11459	1.4
462.26736	2.0
509.91870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.2
58.06590	0.3
60.72069	0.2
63.02372	0.7
67.05499	0.2
69.03419	0.6
69.07050	0.2
70.06576	0.5
70.54066	0.5
72.08152	0.4
74.79115	0.2
78.04697	0.3
79.05462	0.4
81.07089	0.4
84.08139	0.3
85.02888	0.5
89.03918	6.2
89.35735	0.1
91.05486	3.0
93.07031	0.6
95.04958	0.8
95.08604	0.2
97.02879	0.3
103.05460	0.2
105.03400	0.2
105.07028	0.5
106.04144	0.3
107.04961	4.1
107.08615	0.3
117.03385	19.9
119.04953	2.9
121.02888	0.4
121.06502	0.6
121.10092	0.2
127.03893	0.3
131.04924	0.4
131.08546	0.3
134.03625	1.4
135.04427	1.0
136.05179	0.5
137.05977	1.9
143.04926	0.5
145.02850	57.7
146.03305	0.4
147.04428	1.2
149.05981	6.6
149.09619	0.3
150.06744	0.3
150.57574	0.2
151.03906	0.8
151.07550	16.5
158.06023	0.3
161.05975	0.6
162.03151	0.3
163.03938	1.1
163.06245	0.2
163.07533	0.3
175.07593	0.9
177.05475	100.0
178.06323	1.1
178.08650	6.4
181.04968	0.3
186.05472	1.9
191.08643	0.2
207.06500	0.2
207.51440	0.2
209.09546	0.2
219.10234	0.4
223.07553	0.2
237.09155	0.6
269.11819	1.8
270.38361	0.2
271.04361	0.2
278.17676	0.3
284.12857	0.6
286.14386	26.3
287.14716	0.2
296.18552	0.6
321.09732	0.2
339.10992	0.4
355.13989	0.3
362.06436	0.2
377.08832	0.2
448.19800	0.9
462.19156	34.9
463.19604	0.4
499.59531	0.2
606.71014	0.2
624.24390	18.9
625.24921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01564	0.2
51.02390	0.2
53.03936	0.4
55.01871	0.4
57.03440	0.3
58.06593	0.2
61.02927	0.3
63.02377	0.9
64.17435	0.2
67.05481	0.3
68.42517	0.2
69.03437	1.7
69.51643	0.3
69.52045	1.2
70.06613	1.2
70.38502	0.2
71.04984	0.4
73.02927	0.2
78.04701	0.3
79.05475	0.6
81.03425	1.5
81.07056	0.3
84.04536	0.3
84.08140	0.3
85.02915	3.2
86.09712	0.2
87.00838	0.5
89.03922	9.8
91.05491	4.4
91.81804	0.2
93.03391	0.3
93.07053	0.7
95.04998	1.1
97.02892	1.7
98.21510	0.3
99.04460	0.3
103.05476	0.5
105.04473	0.3
105.07036	0.6
106.02914	0.3
106.04199	0.4
107.04967	6.2
107.08584	0.2
109.02879	0.7
109.10117	0.2
115.05461	0.6
116.07071	0.4
117.03388	27.5
117.06995	0.4
119.04950	3.7
119.08599	0.4
121.02885	0.3
121.06493	0.5
123.04447	2.0
123.08062	0.2
124.03905	0.4
127.03951	1.4
129.04439	0.3
129.07019	0.2
131.04936	0.5
131.08539	0.2
133.06512	0.3
134.03654	1.6
135.04430	2.2
136.05188	0.5
137.02411	0.2
137.05995	1.8
141.05511	0.4
143.04936	0.7
145.02856	73.2
145.06519	1.1
146.03271	0.4
147.04449	1.6
149.04774	0.5
149.05991	8.8
149.09668	0.4
150.06763	0.4
151.03966	1.5
151.07553	21.8
158.06003	0.4
159.87244	0.2
160.05217	0.3
160.07567	0.3
161.06013	1.5
162.03151	0.5
163.04002	1.6
163.06233	0.4
163.07553	0.6
173.06030	1.0
175.07574	1.7
176.07001	0.3
177.05481	100.0
178.06329	1.3
178.08646	8.0
181.04988	0.4
181.06538	0.3
186.05539	1.5
187.07605	0.3
189.70807	0.2
191.07010	0.7
203.07019	0.5
205.08681	0.2
209.09584	0.5
221.08099	0.7
237.09169	0.9
241.04797	0.2
251.10600	0.2
268.08267	0.3
269.11777	3.1
284.12857	1.0
286.14401	31.3
296.18619	0.3
341.10159	0.5
354.13348	0.3
355.13895	0.3
444.13770	0.2
448.19733	22.1
462.19159	28.0
463.19055	0.2
494.04294	0.3
561.49683	0.2
624.24432	25.6
625.24420	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
55.01885	0.2
58.06582	0.3
61.96238	0.2
62.01596	0.2
63.02372	0.5
67.05515	0.2
67.49966	0.2
69.03429	0.4
70.06584	0.7
70.53892	0.6
72.08156	0.3
78.04718	0.2
79.05492	0.5
81.03410	0.4
81.07047	0.5
84.08137	0.2
85.02891	0.6
86.09684	0.4
89.03923	6.3
91.04987	0.2
91.05493	2.8
93.07033	0.5
95.04964	0.6
103.05484	0.4
105.07016	0.4
106.04159	0.5
107.04298	0.3
107.04964	4.1
107.08623	0.2
109.06524	0.2
112.50573	0.2
115.05433	0.4
117.03387	19.1
119.04945	3.0
119.08559	0.2
121.02887	0.5
121.06499	0.4
121.10131	0.4
124.03981	0.3
127.03857	0.2
131.04967	0.4
131.08531	0.3
133.06517	0.3
134.03638	1.4
135.04439	1.3
136.05232	0.4
137.06027	1.3
143.04958	0.6
145.02856	58.2
146.03326	0.3
147.04457	1.0
149.04779	0.3
149.05984	6.0
149.09587	0.4
151.03902	0.7
151.07553	15.8
158.06010	0.3
160.42532	0.2
161.05966	0.6
162.03134	0.3
163.03967	1.1
163.06329	0.3
166.19614	0.2
175.07564	1.1
177.05479	100.0
178.06303	1.1
178.08641	5.3
181.04967	0.3
186.05521	1.5
196.48073	0.2
207.06528	0.2
209.09610	0.3
219.10204	0.3
223.07362	0.3
237.09145	0.5
269.11804	2.4
278.17581	0.3
284.12930	0.5
286.14395	27.8
287.14728	0.4
296.18698	0.3
339.10840	0.7
355.14307	0.2
377.08691	0.4
436.11832	0.2
444.13663	0.4
448.19595	0.7
462.19174	36.2
463.19547	0.5
583.02740	0.2
624.24402	18.0
625.24957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.3
55.01870	2.2
57.03420	1.8
61.02930	1.4
65.03942	0.7
69.03435	8.8
69.23441	6.1
70.06598	3.9
71.04994	2.1
73.02913	2.0
76.72768	0.7
79.05481	1.1
81.03426	8.0
81.07045	1.8
83.04980	0.9
84.08141	3.2
85.02913	19.8
86.09708	1.2
87.00849	5.5
91.05480	4.1
93.07038	1.3
94.04207	1.9
95.04982	1.2
95.06083	1.6
95.08651	0.8
97.02914	7.2
99.04468	3.1
103.05458	2.0
105.01855	4.7
105.07067	5.5
107.04961	1.0
108.85278	0.7
109.02904	7.0
109.06509	1.9
115.03929	0.9
115.05454	1.7
117.07028	1.6
119.04920	0.8
119.08576	2.1
120.08077	1.5
121.06490	1.7
122.03641	4.7
127.03934	15.2
128.06171	1.3
129.07062	1.7
131.04973	2.5
131.06046	0.7
132.05754	2.0
133.06526	4.2
135.04442	1.6
137.05986	100.0
137.60686	0.9
143.04881	0.9
145.04973	7.0
145.06433	1.9
147.02925	1.0
147.04401	1.3
147.08044	3.2
147.11754	0.8
149.05980	3.2
151.03940	2.2
151.07561	1.7
152.28943	0.8
155.04924	1.1
157.06505	1.3
157.78255	0.8
159.02907	4.1
159.08043	2.1
160.05167	1.1
161.06006	13.4
162.06805	0.8
163.07550	2.1
172.05165	1.4
173.05888	0.8
175.07567	22.7
177.04001	0.8
177.05458	1.0
179.07083	1.2
187.07555	8.4
189.09175	1.3
190.07889	2.0
191.08557	6.4
193.08597	2.0
199.07568	4.0
202.07849	1.4
203.06868	1.0
203.08614	1.9
205.08597	1.1
208.08948	1.3
217.08540	1.5
218.07294	1.9
219.08076	11.6
229.08505	1.3
231.05055	2.7
231.08087	3.2
232.08954	0.9
236.08365	2.5
241.08551	1.6
247.07593	5.8
248.08235	2.4
251.10693	18.4
259.07733	1.9
261.09174	1.2
263.07068	0.8
263.10599	1.7
264.07898	1.8
265.08691	1.2
277.08612	1.5
279.10181	14.3
280.10925	1.4
281.08047	1.2
289.08710	1.0
291.10181	5.6
293.11685	1.3
296.10699	1.7
302.04105	0.9
303.10251	1.5
308.10489	1.1
309.11368	1.5
311.12796	48.8
317.06589	10.8
321.11136	2.8
323.12802	18.5
325.14087	0.9
330.14578	1.1
333.11029	0.8
335.12735	3.8
341.13873	5.5
347.12769	1.7
353.13831	3.3
365.13913	1.4
377.13901	2.0
401.13925	2.4
419.15012	2.5
523.15851	1.9
541.17035	3.4
559.18115	2.0
570.36200	1.1
624.24701	0.9
624.38220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01891	3.5
55.02105	0.8
57.03425	2.1
58.06585	0.7
61.02914	1.8
67.05511	0.9
68.99817	0.8
69.03436	9.1
70.06583	1.5
71.04999	1.8
71.07883	0.9
72.88960	0.6
73.02913	2.1
79.05492	0.8
81.03430	10.8
81.07081	1.1
85.02915	23.3
87.00844	9.9
87.04470	0.8
90.27943	0.7
91.03980	0.9
91.05486	1.7
93.07063	1.5
94.04208	1.9
95.04971	0.8
97.02902	11.6
99.04479	4.8
100.46375	0.6
103.05463	1.8
105.01889	7.8
105.07030	3.5
105.44371	0.8
107.04984	1.0
109.02883	9.1
109.06537	1.9
110.98879	0.8
111.04424	0.8
115.05447	5.8
117.01860	1.3
117.07061	1.5
119.05009	1.1
119.08622	1.6
121.06483	0.9
122.03674	3.8
125.05997	1.6
127.03928	22.8
128.06230	1.2
129.01817	1.2
129.06972	3.8
131.04924	2.6
132.05692	0.9
133.02878	0.8
133.06519	2.7
137.05994	100.0
141.05470	1.0
143.04930	7.3
144.05638	1.1
145.02840	1.5
145.04980	11.5
145.06488	1.2
147.02928	0.8
147.04355	1.0
147.08081	0.9
149.06052	1.2
151.03929	5.8
151.07582	2.3
152.04242	2.0
153.05486	1.9
157.06546	4.1
159.02904	6.8
159.08044	1.9
160.03957	1.4
160.05203	10.6
161.06029	8.8
163.03894	1.0
163.07576	3.0
172.05199	3.1
173.06097	0.7
174.06845	1.4
175.07570	67.9
177.05475	3.6
177.09196	0.7
185.06062	0.8
187.07573	30.2
189.09142	7.2
190.07846	1.6
191.08624	5.0
199.07719	3.4
201.09171	1.0
203.08607	2.9
205.08633	13.8
205.10364	1.4
211.07588	1.4
213.03920	1.0
217.08589	4.2
218.07314	1.0
219.08098	8.5
219.10059	1.5
220.08829	1.6
227.07031	1.0
231.05006	5.2
231.08086	3.7
233.09808	0.9
235.09679	19.5
236.08397	0.9
237.09087	0.7
239.07069	1.1
240.07867	0.9
247.07558	3.4
248.08400	2.5
251.10710	11.2
255.06438	1.2
259.07614	1.7
261.09250	0.9
263.10712	2.5
264.07919	1.1
270.09012	2.1
271.09586	4.9
276.07858	1.8
277.08627	1.0
279.10233	9.8
281.08231	0.9
283.09741	1.6
286.14536	0.9
291.10217	6.5
296.10522	2.3
308.10672	1.2
309.11203	0.9
311.12808	31.6
313.14410	1.8
323.12827	12.5
325.14426	1.5
341.13879	20.6
357.13699	1.0
385.09140	2.8
386.09558	4.1
387.81326	0.7
599.08771	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
67.05497	0.6
69.72555	1.7
73.19639	0.3
79.05503	0.6
81.03401	0.4
81.07042	0.8
91.05505	0.8
95.08615	0.5
97.06539	0.4
97.36060	0.3
105.07027	0.7
115.10132	0.3
117.07027	0.4
131.08607	0.6
143.82245	0.3
157.10223	0.4
162.00946	0.3
255.07404	0.3
388.16629	0.4
389.17868	1.4
390.18530	0.7
391.19403	0.8
401.17606	1.2
402.18600	0.6
403.19507	1.7
404.20020	0.8
405.20862	1.3
414.18787	0.4
415.19403	1.0
416.20142	1.3
417.16992	1.9
417.20999	2.1
418.21954	0.9
419.22531	4.8
428.16373	0.6
429.17090	1.0
430.17230	0.6
430.22290	0.5
431.18716	3.5
431.22986	1.7
432.19043	1.5
433.20148	1.9
435.21860	0.5
442.18311	0.5
443.18481	3.9
444.19568	1.3
445.20148	9.1
446.20996	4.9
447.22299	4.8
448.23001	0.5
449.23505	1.9
450.24551	0.4
457.20267	1.1
458.21170	0.9
459.21988	3.1
460.22748	0.7
461.19128	1.6
462.20569	1.5
463.21307	2.0
473.23334	1.0
475.20932	1.8
476.22116	5.3
477.22919	6.5
481.12976	0.4
489.22961	2.3
490.23676	0.9
491.20551	0.7
503.24561	1.4
505.22668	1.5
517.22687	0.5
518.23456	0.7
521.21918	1.6
533.25562	16.4
535.27112	0.6
545.25604	1.2
561.24915	0.7
563.26581	18.5
564.26733	0.8
565.27997	0.4
593.27686	4.9
595.28345	0.5
605.27936	1.5
623.28711	100.0
624.28912	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.9
52.27761	2.2
53.03954	2.6
55.01880	4.1
55.05518	15.0
57.03424	6.1
59.30729	2.3
61.02924	20.9
64.44424	2.3
67.05508	33.1
69.03439	7.8
69.07066	11.8
71.53321	3.4
72.08158	3.4
73.02924	4.8
79.05501	25.2
81.03419	7.2
81.07064	37.8
83.04972	4.6
83.08633	8.0
85.02920	15.9
91.03960	11.7
91.05486	32.8
92.60912	2.5
93.07045	24.6
95.04954	3.6
95.08638	16.6
97.02887	10.4
97.06516	5.2
97.10145	4.0
103.05455	3.2
105.04536	2.8
105.07040	30.3
107.04981	5.4
107.08602	12.0
109.02887	2.4
109.06548	6.3
109.10201	6.3
111.08089	3.5
115.05490	3.8
117.07011	25.9
119.08602	17.4
121.06547	6.0
121.10146	6.2
123.08092	5.7
124.38971	2.4
128.06255	5.8
129.06981	27.0
131.08586	32.3
133.06516	7.6
133.10150	14.4
134.62001	2.4
135.04472	2.6
135.08044	3.4
135.11717	3.0
141.06969	11.0
143.08533	26.2
145.06522	6.8
145.10129	18.0
147.08070	6.4
147.11694	5.6
149.09605	7.5
151.11206	3.2
153.06979	2.9
155.08540	20.2
157.06494	2.5
157.10088	13.0
159.08069	3.1
159.11711	8.4
161.09647	2.7
167.08580	10.2
169.10068	14.4
171.08102	3.6
171.11766	9.6
173.09531	3.8
179.08511	4.0
181.10185	11.5
183.11710	9.5
185.09717	2.7
185.13217	7.9
193.10075	2.5
195.11696	9.0
197.13213	7.2
201.12825	3.4
209.13243	5.1
211.11339	3.0
211.13120	3.8
211.14906	5.4
213.12808	3.4
215.14374	6.0
217.04536	2.8
221.13261	6.5
223.14868	6.3
225.16397	3.2
239.14316	3.5
257.15436	4.0
259.16861	3.4
271.16815	3.7
285.18655	3.5
300.66663	2.9
315.20978	3.8
323.23862	4.1
333.22037	9.8
341.24838	7.2
351.23199	36.9
369.24304	32.2
387.25449	15.1
418.54468	3.7
425.26917	8.5
443.27994	100.0
461.29022	70.5
605.34570	3.0
605.76654	2.9
623.35236	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	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86485	0.2
55.01894	0.2
58.56165	0.2
65.35213	0.2
66.24020	0.2
67.05484	0.6
69.07085	0.3
69.74502	0.4
69.74911	0.7
79.05515	0.3
81.07073	0.4
84.89153	0.2
91.05482	0.5
93.07045	0.2
95.08654	0.2
95.25644	0.2
98.07441	0.2
104.97348	0.2
105.07069	0.4
106.06576	0.3
107.08564	0.3
111.21156	0.2
119.08594	0.4
120.08125	0.3
136.21384	0.2
145.10147	0.2
145.78264	0.2
184.09990	0.2
195.09082	0.3
204.06639	0.2
209.10786	0.4
211.12459	0.2
220.10042	0.2
223.12428	0.2
224.13046	0.2
225.10226	0.2
235.08736	0.3
237.10106	0.3
237.13986	0.2
239.11749	0.2
249.10277	0.3
250.11028	0.2
251.11804	0.3
298.13705	0.3
300.14926	0.3
314.12936	0.4
325.15747	0.2
338.12881	0.3
338.16776	0.3
342.16049	0.3
352.14822	0.2
375.16086	0.4
376.17303	0.2
377.17737	0.6
388.16870	0.4
389.17880	1.3
390.18402	1.0
391.19272	1.6
393.20871	0.5
401.17844	0.4
402.18887	0.6
403.15204	0.6
403.20026	1.0
404.15695	0.5
404.20062	0.9
405.16885	0.7
405.21320	2.2
406.22003	1.1
407.22321	0.8
415.19495	0.4
416.20551	0.3
417.16141	1.4
417.22083	1.0
418.17233	1.2
419.17648	2.2
419.22653	1.6
420.18765	0.4
420.23929	0.4
421.24359	1.5
429.16306	1.1
430.17627	0.6
431.17770	1.5
431.22827	1.0
432.19159	2.0
433.20056	3.5
434.20853	1.5
435.21725	1.4
443.18427	1.1
444.19525	0.6
445.20297	3.2
446.21231	1.8
447.22574	4.0
448.23434	1.3
449.23444	5.4
450.24094	0.3
457.20346	0.7
458.20953	1.3
459.22079	2.1
460.22699	0.6
461.18945	2.5
462.19833	1.3
463.21268	2.0
465.22937	0.3
475.20844	1.8
476.22052	5.9
477.22888	4.8
488.22537	0.3
489.23077	2.7
490.23520	0.6
491.20401	0.3
493.22467	0.3
503.25293	1.5
505.22424	0.9
507.24423	0.4
508.25180	0.4
517.22449	0.3
519.23950	1.8
520.24866	0.2
521.21259	1.2
531.23932	0.7
532.22485	0.3
533.25494	3.2
535.27435	3.8
545.25397	1.7
548.24097	0.3
563.26538	22.2
564.26935	0.6
579.26001	0.3
591.26233	1.1
593.27716	0.6
595.29071	0.8
605.27673	2.8
606.28094	0.6
623.28638	100.0
624.28857	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	623.2873
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
55.05501	0.4
67.05186	0.4
67.05516	0.8
74.13266	0.4
74.41019	0.3
79.05512	0.5
81.07053	0.7
91.05495	1.0
93.07077	0.8
95.08621	0.8
98.21562	0.5
105.07035	0.7
106.06586	0.4
107.08586	0.4
109.10155	0.5
119.08614	0.8
147.08070	0.3
157.10254	0.4
210.11632	0.5
223.12233	0.4
225.10187	0.4
251.12056	0.4
275.20035	0.5
278.10504	0.4
325.15903	0.4
332.67871	0.5
375.16553	0.6
377.18262	0.4
388.17316	0.4
389.17615	1.6
390.18451	1.0
391.19388	1.6
393.21011	0.4
403.19336	1.5
404.20313	0.8
405.16556	0.8
405.21448	3.0
406.21634	1.7
407.22394	0.9
415.19296	0.7
416.20392	0.4
417.16574	2.2
417.22012	0.5
418.17859	1.2
419.17648	2.7
419.22739	1.8
421.24017	1.5
429.16879	0.8
430.17706	0.5
431.18243	2.6
432.19257	2.1
433.20129	4.6
434.21066	1.5
435.21899	0.8
443.18607	0.7
444.19531	0.6
445.20200	3.8
446.21143	1.2
447.17584	1.2
447.23022	2.5
448.22449	1.5
449.19135	0.4
449.23663	4.4
458.21304	1.1
459.22424	2.1
460.22537	1.0
461.18903	2.3
462.20700	1.1
463.21402	1.3
465.23260	0.5
475.20697	1.7
476.21942	5.2
477.23065	6.1
489.23300	2.8
490.23422	0.8
493.22195	0.6
503.24228	1.2
505.22458	1.1
519.23889	3.2
521.21844	0.8
531.24249	0.5
533.25635	2.4
535.27557	3.5
545.25574	1.8
548.24030	0.4
563.26587	22.4
564.26923	1.0
579.25916	1.0
591.26129	1.1
593.27899	0.7
595.29333	0.9
605.28113	2.4
606.27826	0.5
623.28693	100.0
624.29047	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	623.287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80018	1.0
54.40411	1.3
67.05519	1.7
70.83674	3.0
79.07319	1.0
136.41467	1.1
160.96272	1.0
162.17184	1.0
387.16379	1.3
389.18118	1.3
400.02451	1.1
403.19601	1.6
405.20801	2.3
419.22580	2.9
431.18567	2.9
433.19815	5.5
435.21176	1.3
443.18631	2.2
444.19611	2.6
445.20319	3.2
446.20868	1.8
447.21811	3.7
448.22485	1.3
458.20981	5.3
459.21942	5.8
460.23001	3.7
463.21136	2.3
476.22415	2.1
517.22522	1.6
518.23285	3.4
521.21698	2.1
533.25427	8.2
540.05304	1.2
545.25220	2.2
546.26141	1.3
563.26520	4.7
578.60754	1.2
605.27686	11.3
623.28693	100.0
624.28851	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2868
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
50.37822	0.2
55.05510	0.3
62.28137	0.2
67.05506	0.4
68.99789	0.3
70.09709	1.0
79.05473	0.5
81.03420	0.4
81.07039	0.3
83.04980	1.4
85.88071	0.2
91.05473	0.4
93.07038	0.5
95.05007	0.4
95.08577	0.3
105.06995	0.3
107.04918	0.2
107.08607	0.3
111.04488	0.5
115.05467	0.5
117.07086	0.2
119.08619	0.3
121.06460	0.3
122.03624	0.3
133.06508	0.4
135.04510	0.3
137.05984	5.3
143.04980	0.3
145.06531	0.4
151.03935	2.5
157.06583	0.3
161.06023	1.0
175.07607	0.5
177.05466	0.4
187.07472	0.3
205.08702	0.4
233.08246	0.3
247.06168	0.4
265.07095	0.6
286.13354	0.2
298.13678	0.4
299.13168	0.3
309.11288	0.3
310.13531	0.3
325.10861	0.3
327.12387	0.4
357.13351	1.4
373.14426	0.3
375.16119	0.7
377.17810	0.3
387.16519	0.2
388.17117	0.7
389.17661	4.2
390.18457	1.2
391.19241	2.8
401.18201	0.6
402.18564	1.1
403.15659	0.2
403.19415	3.5
404.20221	1.6
405.20825	9.4
406.21497	1.4
415.19315	0.7
416.20181	0.9
417.16458	6.3
418.17386	2.5
419.18506	3.4
421.19788	0.4
431.18304	6.4
432.10651	0.3
432.19394	8.4
433.20200	9.1
434.21204	0.5
435.21973	0.3
443.18536	0.5
444.19583	0.4
445.20511	2.9
446.21075	1.0
447.22244	0.4
449.23978	1.2
457.20355	0.3
458.21231	0.4
459.22235	1.5
461.19260	2.5
462.20737	1.4
463.21240	2.1
464.21942	0.5
465.23184	0.3
471.22766	0.3
473.19409	0.3
475.21255	1.9
476.22134	4.2
477.23389	4.9
478.23669	0.5
487.21472	0.8
489.23221	1.4
490.23865	0.4
491.25186	1.7
503.24289	0.8
504.21448	0.4
505.22250	0.7
519.23950	25.3
520.24261	0.6
521.21326	1.1
531.23773	0.4
535.27087	0.5
536.23083	0.3
545.25775	0.5
547.23279	1.2
551.26508	0.5
563.26593	17.6
579.26019	6.0
581.26501	0.3
591.26355	0.4
595.28827	0.3
605.27740	0.6
623.28687	100.0
624.29059	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29466	0.6
57.07071	0.5
70.92623	0.9
75.53894	0.5
79.05433	0.5
89.06012	1.1
89.76180	0.5
116.26632	0.5
284.29504	7.2
377.17719	0.9
378.18829	0.8
388.62225	0.6
389.18588	0.9
390.18625	1.1
391.19287	2.2
392.19870	1.3
393.20963	1.1
399.16147	0.5
400.17041	0.9
401.17703	1.3
402.19095	0.7
403.19638	0.9
404.20831	1.0
405.20859	4.1
406.21460	3.4
407.22339	9.2
412.17493	1.0
413.17841	1.5
414.18484	2.0
415.19220	3.1
417.21274	0.8
419.22421	2.1
420.23151	1.7
421.23944	9.6
422.24612	2.6
427.19272	1.6
428.20059	2.3
429.20880	10.2
430.21774	2.6
431.23074	0.7
433.19855	1.4
433.24829	1.0
442.21729	1.1
443.22629	5.6
444.23517	3.7
445.20328	1.8
446.21100	0.8
447.17545	1.0
449.23016	0.9
452.21698	0.8
455.18597	1.3
456.19644	1.8
457.19092	0.9
457.23978	2.5
458.24725	5.4
459.21893	7.1
460.22546	1.9
461.19788	3.1
461.24942	0.7
462.20670	1.9
463.21042	1.2
470.21301	0.7
471.21994	2.1
472.22647	4.2
473.23380	2.3
474.20432	1.1
475.21216	4.9
476.21667	3.7
477.22736	2.6
483.17984	0.9
484.18933	0.9
485.23587	10.0
486.20395	2.5
486.24500	1.8
487.21152	1.2
488.22083	1.3
489.22861	2.6
490.23209	0.7
499.21301	3.4
500.22073	2.3
502.23984	1.2
503.24612	6.5
504.21768	0.7
508.28421	1.0
513.22882	3.4
514.23688	2.2
515.24384	0.7
517.26294	7.5
529.26025	1.8
531.23981	0.8
535.27264	5.1
536.27997	0.8
545.25537	72.3
546.25830	0.9
562.25708	0.9
564.27094	1.3
573.24963	17.0
577.28156	0.7
591.26080	1.1
595.50763	0.6
605.27625	82.0
606.27325	1.3
623.28662	100.0
624.28778	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2868
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
55.60450	1.2
62.04338	1.3
67.25777	1.3
70.00986	7.4
75.90964	1.3
88.68009	1.5
98.21532	1.6
266.33942	1.5
291.73654	1.4
372.94540	1.6
404.20789	1.5
416.20566	1.8
420.22769	1.8
429.20657	2.0
433.20184	3.0
447.18134	7.0
448.22659	1.8
449.23141	1.6
459.21756	3.8
461.19141	7.9
473.23398	2.5
476.22028	16.7
477.22769	3.0
479.20944	2.1
485.23700	3.4
487.25021	2.2
503.24710	2.3
519.24677	1.7
531.24066	5.5
545.25616	14.2
547.26819	1.7
549.24780	2.7
563.26062	6.7
591.25922	5.1
605.27802	2.3
623.28650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31015	1.1
70.64879	1.4
70.65201	2.1
74.99615	1.0
79.72194	0.9
91.03719	0.9
103.76849	1.1
110.61333	0.9
124.11707	1.1
163.71988	1.1
169.47792	1.0
209.10883	1.0
391.18970	2.2
392.19913	1.4
393.20721	1.6
405.20929	2.2
406.21353	1.8
407.22403	6.1
415.19122	1.8
420.23251	2.1
421.23807	7.6
422.24429	2.4
429.20917	1.5
433.24533	2.1
443.22723	1.4
445.20386	2.1
458.24658	2.7
459.22125	1.9
461.19922	3.9
462.20773	1.5
474.20380	1.4
475.21524	4.2
476.22070	3.3
485.23505	3.4
486.20685	1.4
489.23312	2.2
499.21414	5.0
503.24579	7.0
517.23462	1.1
535.27234	5.7
545.25500	21.7
563.26813	1.4
564.27655	1.8
573.24908	4.9
591.25854	2.2
605.27618	16.4
623.28699	100.0
624.29309	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24432	0.6
55.05511	2.9
56.09088	0.6
57.03463	0.5
62.34114	0.5
63.16650	0.5
63.36927	0.5
67.05505	5.1
69.07063	1.5
69.36199	4.2
79.05494	3.7
81.03413	1.9
81.07066	3.7
83.08599	1.1
91.05472	3.8
93.07043	2.9
95.04985	0.9
95.08614	2.7
97.06520	0.7
97.10185	0.9
105.07011	2.7
107.04975	0.6
107.08604	2.0
109.10178	1.9
117.07031	2.1
119.08586	2.6
121.10129	1.0
125.09623	1.1
129.07022	1.6
131.08594	1.9
132.08105	0.7
133.10141	1.9
135.11723	0.8
137.72968	0.6
141.07007	0.9
143.08569	1.6
145.10136	1.6
155.08553	1.7
157.10153	1.2
159.11664	0.6
161.13319	0.6
167.08527	0.8
169.10146	1.7
171.11699	1.2
173.13307	0.7
181.10101	1.3
183.11731	1.4
187.14835	0.6
195.11758	0.8
197.13249	1.1
198.70926	0.5
208.13435	0.6
209.10756	0.9
211.14925	1.2
221.10777	0.7
222.16504	0.6
223.12387	0.8
237.16539	0.7
257.18942	0.6
271.13211	0.6
275.20023	1.1
291.19537	1.1
356.13184	0.6
363.16443	0.7
375.16568	0.7
376.16934	1.1
377.17822	2.7
378.18420	1.6
386.15781	0.7
387.16330	1.2
389.18008	0.8
390.18536	1.5
391.19333	2.7
392.20129	1.1
393.20920	3.0
399.16281	1.2
400.17065	1.8
401.17676	3.9
403.19391	1.5
404.20407	0.9
405.16562	1.1
405.20880	2.3
406.21680	0.7
407.22589	3.8
411.16418	0.6
413.17554	2.1
414.18460	2.8
415.19452	5.5
416.20114	1.6
417.20917	2.1
418.21732	0.7
419.18369	3.9
420.19293	0.8
421.20306	2.9
427.19556	1.3
428.20056	2.4
429.21695	3.2
430.21729	1.1
431.18768	2.0
433.15741	0.8
433.20383	1.1
435.22223	2.7
442.17676	0.7
443.22424	3.4
444.19116	4.1
445.20316	2.2
446.20990	1.0
447.18274	3.1
448.18951	1.9
449.19522	1.5
456.19400	0.8
457.20242	2.2
458.21024	2.3
459.17621	0.8
461.19653	3.9
462.20468	2.7
463.21286	2.4
471.22485	6.7
472.18048	1.1
472.23700	0.8
473.19534	1.9
473.24225	0.9
474.20453	1.7
475.16077	0.7
475.21365	2.6
476.18738	1.6
477.19019	0.6
477.22910	1.1
480.25031	0.6
483.22104	0.7
484.18970	1.3
485.19632	2.4
486.20401	4.0
489.22653	5.5
490.19196	4.8
491.20270	3.2
493.22104	1.1
499.21399	18.4
500.18716	2.4
501.23550	5.3
502.19925	0.8
503.20667	4.4
507.24231	2.7
508.24512	0.8
511.21362	0.7
513.19257	2.1
514.20166	1.1
516.21399	1.6
517.22339	12.4
518.23132	1.4
527.20575	2.7
529.22522	10.4
531.20209	1.1
535.23535	5.4
536.23956	0.9
545.21844	41.3
546.22131	0.8
547.26831	1.6
549.24664	1.3
550.25983	2.0
555.20050	2.1
563.22552	4.8
564.23279	0.7
573.21442	11.1
579.29926	1.1
591.25275	1.0
595.25665	0.9
605.23938	76.6
605.40649	1.9
606.23505	1.2
623.25000	100.0
623.42694	10.8
624.25220	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
57.03447	0.9
59.19133	0.7
62.08987	0.7
67.05495	1.9
69.07067	1.4
70.06583	2.4
71.06128	1.3
79.05488	2.2
81.03412	0.7
81.07051	2.4
83.04957	1.1
91.05479	2.3
93.07032	2.4
94.20544	0.7
95.08624	1.6
97.06555	1.2
105.07021	1.5
107.08590	1.4
109.10172	1.4
109.17890	0.6
116.07104	3.5
118.36118	0.7
119.08569	1.4
123.08028	0.9
131.08548	1.7
133.10052	1.1
137.06007	0.9
145.10141	0.9
151.07564	1.7
159.08145	0.7
169.25798	0.6
189.09113	3.0
209.10674	0.8
221.10960	0.7
375.17203	0.8
376.17288	0.7
377.17548	1.5
386.15717	0.8
389.17502	1.0
390.18866	1.6
391.19360	1.7
392.20309	1.4
393.20844	1.7
399.16098	1.1
401.17523	2.0
403.16022	0.9
405.16589	1.0
405.21231	1.2
406.17651	1.0
407.22153	2.7
414.18369	1.6
415.19122	2.4
417.21100	1.5
419.18546	2.1
421.20090	2.2
429.20844	1.9
433.20764	1.1
435.21832	2.2
443.18353	1.6
444.19406	2.3
446.21271	1.3
447.17398	3.4
448.18805	1.3
449.23523	1.2
456.19830	1.3
457.20627	1.0
458.20877	2.0
459.17856	1.3
461.19760	3.6
462.20410	1.0
463.20996	1.1
471.21823	3.2
473.19611	1.7
474.20404	1.4
475.21298	2.6
476.22058	1.0
477.22662	1.0
485.19861	1.9
486.20410	1.6
489.17798	1.0
489.22678	4.7
490.20023	4.1
491.20432	2.6
493.22119	0.8
499.21289	9.6
500.18518	1.2
501.22601	3.0
503.20514	2.5
507.23431	2.5
511.21307	1.2
513.19043	2.7
516.21204	1.1
517.22382	13.2
518.22852	1.1
527.20630	1.2
529.22327	5.6
531.20197	2.4
535.23090	3.3
536.23804	1.1
545.21869	20.1
563.25659	3.1
564.23456	2.3
573.21442	6.7
577.24286	3.1
591.22412	3.0
605.23956	37.9
623.24982	100.0
623.42841	4.0
624.25476	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71053	0.4
51.80158	0.4
52.36509	0.4
53.03942	1.5
55.01876	1.9
55.05526	2.0
59.91911	0.4
63.01826	0.4
65.03943	1.3
67.05499	0.5
68.99783	1.7
69.03421	0.4
69.26445	0.7
69.26849	3.0
71.01344	0.6
77.03969	0.4
79.05501	2.1
81.03428	4.3
81.07041	0.5
83.04991	14.9
91.05487	3.2
93.03418	0.5
93.07043	0.6
94.04176	2.4
95.04979	3.5
97.02886	0.5
97.06567	0.6
100.00992	0.4
103.05491	3.2
105.03406	0.5
105.07040	4.2
107.04972	2.3
109.02904	0.9
109.06496	1.2
111.00824	0.8
111.04447	7.6
111.47693	0.5
113.06006	1.0
115.05447	4.2
117.07040	2.9
118.04211	0.4
119.04951	1.5
121.02887	1.3
121.06501	1.2
122.03668	5.3
123.04437	3.2
125.02412	0.6
125.06013	0.7
128.06252	0.6
129.07024	1.8
131.04939	4.3
131.08569	0.9
133.06506	4.6
135.04393	2.3
135.08090	0.4
137.05994	100.0
138.03133	0.7
138.06400	0.6
139.03929	1.3
140.01079	0.4
141.01785	0.6
141.05463	0.6
143.04944	4.3
144.05663	0.8
145.06493	2.8
147.04419	2.5
147.08083	1.8
149.02422	0.5
149.06007	1.7
150.06866	0.4
151.03923	29.9
151.04979	1.7
151.07553	0.6
153.05472	1.7
154.02563	0.4
155.06096	0.4
155.50166	0.4
157.06514	2.5
158.07346	0.4
159.04436	2.2
159.08086	0.7
160.05232	1.7
161.05994	13.2
162.06804	0.6
163.03958	1.8
163.07558	1.7
164.74869	0.4
165.01917	2.5
165.05510	1.3
167.03426	2.4
167.07086	0.7
171.04414	0.8
173.06013	2.6
174.06717	1.0
175.03912	1.0
175.07587	6.2
177.05475	2.7
177.09247	0.4
178.07713	0.6
179.07050	0.9
187.07564	2.7
189.05505	3.7
189.06955	0.6
189.09119	2.7
190.06255	0.9
191.03448	0.7
191.07082	1.5
191.08665	0.4
193.04967	1.2
201.05489	0.7
203.06996	2.2
205.04979	1.9
205.08646	4.7
207.06558	1.2
215.07056	1.3
217.04955	2.4
217.08640	1.2
219.06340	2.7
219.08327	1.0
219.10019	0.6
227.07094	0.7
233.08061	1.9
234.06834	1.1
235.05893	2.6
237.07307	0.7
237.09242	1.3
241.08768	0.7
247.05835	4.1
249.09106	1.2
251.05557	1.2
254.09428	0.9
263.07065	0.5
265.06717	3.4
266.07971	1.3
267.10083	0.5
269.08160	0.6
277.08798	2.0
278.09637	0.5
279.10266	1.1
281.11813	0.6
289.08633	0.6
293.11639	0.6
295.09711	0.6
297.11356	1.8
299.12778	5.7
307.09839	0.7
309.11380	2.9
311.12708	0.6
321.11240	1.5
325.10608	1.9
327.12335	9.0
329.13846	1.1
339.12219	2.8
356.12576	0.7
357.13388	18.9
359.11569	0.5
371.11188	0.5
371.15009	2.8
391.11911	0.5
421.12793	0.6
545.17767	0.5
565.20648	0.7
575.19440	2.2
593.19916	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01873	6.4
63.43734	1.8
69.17029	8.6
69.17461	9.8
71.90544	1.7
76.81331	1.9
79.05493	5.6
81.03430	13.4
83.04971	5.9
91.05489	4.8
95.04972	2.6
98.21533	3.6
101.81234	1.8
103.05429	2.7
105.07015	3.0
107.01310	2.3
107.04941	3.6
109.02895	6.3
113.05991	3.0
115.05463	7.4
117.06994	3.1
121.02872	1.9
122.03737	2.1
123.04421	2.6
128.06241	5.2
129.06964	3.8
131.04941	5.9
135.04431	5.1
137.02354	6.6
137.05975	2.9
139.03915	2.6
141.07005	2.3
143.04918	8.0
143.08641	2.0
145.06471	17.4
146.07234	3.2
151.03897	4.3
151.07550	27.0
157.06487	11.2
158.07283	7.5
159.04410	10.9
159.08099	5.6
160.05280	2.9
160.08830	4.0
161.06015	6.4
162.06781	5.1
163.03886	6.2
165.01819	4.5
165.05476	34.6
165.06731	2.1
169.06447	2.0
171.04434	5.0
171.08018	4.7
172.08852	15.4
173.06029	18.7
173.09512	2.4
174.06802	8.6
175.03932	3.4
175.07567	11.8
176.08328	6.7
177.09096	9.8
179.07054	3.2
181.06618	2.7
182.07272	3.2
185.06032	6.5
186.06772	2.6
187.07571	10.4
188.08363	15.8
189.05513	3.9
189.09114	100.0
191.10655	9.9
193.05003	8.1
195.08005	4.4
196.08817	3.2
197.06049	3.7
199.07520	2.6
200.08397	2.9
201.05539	5.0
201.09113	34.3
202.09869	9.1
203.10670	35.3
204.07820	2.0
208.08932	2.6
211.07510	4.4
212.08411	4.2
213.09131	7.1
215.06987	4.4
215.10738	4.9
216.07979	1.9
217.08574	9.6
219.10185	9.0
221.11684	2.2
223.07643	2.0
225.09082	5.6
226.09926	3.2
227.07088	3.1
227.10709	3.9
229.08588	4.0
231.08063	3.6
231.10164	34.2
235.07533	3.2
237.09203	2.5
239.07048	2.4
239.10709	7.5
241.08611	13.7
247.07509	4.1
247.09721	4.8
248.08345	2.6
249.11220	17.5
251.06956	2.1
251.10745	4.1
253.08676	2.8
254.09317	2.5
255.10202	6.8
257.11578	2.4
263.10657	4.1
265.08609	4.2
267.06598	4.1
267.10138	4.6
269.08093	4.2
271.09738	2.7
277.08557	6.1
278.09375	2.6
279.06705	3.4
279.10120	4.3
281.11700	3.4
283.09772	2.8
289.08533	3.3
291.10144	5.3
293.08008	5.8
293.11584	3.5
295.09576	3.5
297.11118	2.9
305.08160	2.2
307.09641	5.7
308.10544	3.3
309.11151	5.1
313.10660	2.8
319.09735	2.1
320.10672	3.7
321.07562	7.5
321.11234	8.2
323.09161	4.1
333.11270	2.3
337.10605	6.5
338.11371	4.6
339.12231	4.8
351.08618	4.1
351.12494	3.4
353.10168	2.2
355.11673	5.0
367.11905	3.9
369.09619	4.9
369.13507	5.0
381.09763	3.2
451.15225	5.4
467.14923	5.2
479.15109	8.0
481.16315	3.2
485.15799	4.6
497.15805	8.9
509.15872	6.6
515.17169	6.0
527.16968	14.7
539.17090	5.9
545.17938	7.7
557.18042	13.4
575.19202	4.7
587.19507	12.8
605.19745	4.6
623.11151	4.0
623.21210	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66089	1.0
52.28998	1.1
53.03949	1.1
55.01881	7.0
57.08615	1.0
63.62161	1.0
63.90310	0.9
67.05508	1.6
69.03410	1.1
69.17831	2.8
69.18235	7.9
70.06208	1.2
79.05492	1.3
81.03423	6.9
81.07051	3.2
83.04979	2.9
91.05468	4.0
93.03426	1.0
94.91529	1.0
95.04957	1.5
97.02867	3.0
98.21552	2.4
103.05442	1.3
105.07037	1.6
107.04955	1.7
109.02856	3.4
111.04440	1.4
115.05473	5.2
116.06335	1.0
117.07020	2.5
120.19116	1.2
121.02880	1.2
121.06502	2.4
125.02347	1.4
127.03866	3.0
128.06229	3.6
129.07004	3.0
131.04918	4.6
131.08572	1.8
134.04514	1.0
135.04404	2.9
137.02347	4.1
137.05981	2.7
139.03986	1.2
141.07022	3.0
143.04921	2.7
143.08548	1.7
144.05714	1.7
145.06485	16.6
146.07249	4.0
147.08058	1.6
149.02382	1.3
149.05997	1.2
151.03885	2.1
151.07553	18.4
153.01881	1.5
153.06978	1.6
155.03476	1.6
155.04921	2.1
156.05688	1.3
157.06505	8.3
158.07280	6.8
159.04437	4.2
159.08084	8.2
160.05214	3.2
160.08801	2.0
161.06004	9.7
162.06767	3.6
163.03923	5.0
165.01727	1.2
165.05466	4.6
168.07393	1.0
169.06462	2.5
171.04437	6.0
171.08083	4.2
172.08847	10.0
173.05989	23.7
174.06775	8.3
175.07576	10.7
176.08351	8.4
177.09111	11.5
179.07080	2.9
181.06470	2.2
182.07253	2.1
183.08096	3.0
184.08800	1.4
185.06004	5.9
186.06807	1.3
187.07538	11.3
188.08334	16.5
189.09120	100.0
190.09744	1.6
191.03439	1.4
191.10703	4.5
193.05061	2.4
195.08092	2.7
196.08859	3.3
197.05998	4.6
198.06758	1.4
199.07639	2.9
200.08313	2.7
201.05475	2.5
201.09126	35.0
202.09892	8.2
203.06992	2.2
203.10683	36.0
205.06451	1.2
205.08524	1.4
207.08028	1.6
211.07536	3.3
212.08334	2.8
213.05716	1.2
213.09099	10.3
214.09843	1.5
215.06963	2.5
215.10774	5.3
217.08543	2.9
219.08247	2.0
219.10167	7.6
220.08730	1.4
221.06096	1.4
221.09727	2.3
221.11667	2.1
223.07564	3.5
224.08311	2.4
225.05496	2.9
225.09068	5.4
226.09952	2.3
227.07054	3.1
227.10687	3.8
229.04936	2.5
229.08600	1.9
231.06581	1.3
231.10175	29.8
235.07520	4.6
236.08340	1.5
237.09128	2.7
238.09885	1.7
239.07071	3.5
239.10667	6.5
240.07840	1.3
241.08615	11.3
241.12236	1.3
242.09486	1.7
243.10381	1.8
247.07558	2.7
247.09755	1.5
248.08311	2.2
249.05501	2.2
249.09100	1.5
249.11275	22.2
251.07104	2.5
251.10680	3.2
252.07692	1.3
253.08636	2.9
253.12289	1.4
254.09378	2.9
255.06458	1.4
255.10182	3.0
257.11722	1.6
261.09000	2.3
263.07056	2.6
263.10580	4.3
264.07730	1.8
264.11597	1.1
265.08670	2.7
265.12201	2.1
266.09235	1.4
267.06592	6.7
267.10056	5.3
269.08163	2.6
271.09616	1.4
276.07983	1.6
277.08585	3.5
278.09296	1.9
279.06714	2.3
279.10123	4.2
281.08286	1.8
281.11700	2.7
283.09763	2.7
283.13266	1.5
291.07086	1.0
291.10110	6.4
292.10818	1.8
293.08066	6.6
293.11301	2.2
295.06253	1.6
295.09738	3.4
297.07574	4.0
297.10895	1.6
303.09949	2.4
305.08136	2.0
305.12103	1.3
306.09183	1.7
307.09601	5.8
308.10403	2.5
309.07721	2.3
309.11130	4.8
310.11911	1.7
313.10721	1.5
319.09619	3.0
320.10397	1.7
321.07468	8.9
321.11237	5.1
323.09125	3.3
323.12726	1.8
325.10678	1.9
328.59070	1.2
333.11356	2.0
335.09146	1.2
337.10721	7.7
338.11499	3.2
339.08490	2.4
339.12271	3.9
341.10892	1.5
349.10825	3.2
350.11292	1.7
351.08636	3.0
351.12228	3.9
355.11707	4.1
367.11710	3.6
368.12476	3.5
369.09433	5.9
369.13522	4.0
379.13513	1.2
381.09564	3.0
385.13342	1.4
433.14658	1.8
449.13943	2.4
451.15195	3.8
463.15759	1.4
467.14743	3.4
479.14966	11.0
481.16464	2.7
485.15826	2.1
491.14929	1.3
497.16025	10.3
509.16077	8.3
511.17453	2.5
515.17084	7.8
527.16962	15.1
529.19104	1.6
539.16852	6.7
541.18439	1.2
545.17908	8.4
557.18066	11.5
575.19336	5.5
587.19244	12.4
605.20215	7.1
623.20343	5.1
623.30048	1.4
623.40417	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37661	1.6
55.01859	7.1
59.93818	1.7
63.42925	1.6
69.75282	3.1
69.75694	7.7
79.05488	3.2
81.03423	23.0
83.04977	5.7
84.88919	1.6
85.79416	1.6
89.65762	1.6
91.05480	2.5
105.03416	3.1
105.07008	1.9
107.04982	3.5
108.05701	2.2
109.02860	1.7
115.05453	3.1
117.07027	3.1
121.06522	2.8
128.06230	2.0
129.07002	3.5
131.04948	3.6
133.06384	1.9
135.04395	3.1
137.02348	2.1
139.03952	2.6
143.08437	2.3
145.06497	18.3
146.07222	3.9
151.03911	3.9
151.07549	90.1
157.06474	6.2
158.07266	6.7
159.08072	16.3
160.05177	3.5
160.08810	3.7
161.06000	7.7
162.06726	3.5
163.03854	2.3
165.05472	5.8
167.03409	1.9
169.06383	2.4
171.08055	3.4
172.08873	13.4
173.06001	11.2
174.06807	8.5
175.03912	5.1
175.07547	8.1
176.08327	6.2
177.09108	11.5
179.07083	2.4
179.08746	1.9
182.07256	3.3
185.05882	1.9
186.06673	2.6
187.07573	4.6
188.08357	23.0
189.09113	100.0
191.03421	5.2
191.10670	7.4
193.04916	4.4
195.08070	2.5
196.08781	2.3
199.07535	3.2
200.08331	3.6
201.05441	6.8
201.09138	21.1
202.09914	11.5
203.08881	3.1
203.10680	39.9
208.08916	2.9
213.09073	11.5
215.07091	4.2
215.10715	4.7
217.08546	3.8
219.10211	20.0
221.11652	2.4
224.08281	2.5
225.09113	3.5
227.10641	3.6
231.08064	3.7
231.10173	39.2
239.07086	2.0
239.10651	5.8
241.08563	10.9
247.07361	2.3
247.09657	2.9
249.08803	2.7
249.11253	49.6
251.07072	2.2
253.08456	3.5
255.06563	2.0
255.10178	2.8
263.10645	3.9
265.08649	2.3
267.10056	4.5
277.08646	3.6
279.10168	3.8
280.10910	2.3
287.09192	4.7
291.10132	5.3
293.11389	2.7
307.09509	4.6
308.10498	2.0
309.11255	2.2
320.10287	2.3
321.11206	4.1
337.10870	4.6
338.11670	2.5
339.12543	3.3
351.12219	6.9
368.12524	3.8
369.13336	3.6
451.15155	3.0
479.14597	6.8
481.16354	6.3
497.15933	4.0
509.16177	8.6
527.17072	12.9
539.16632	2.7
545.17694	2.1
557.18042	9.4
587.18823	3.2
623.21149	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	623.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57168	1.7
55.01881	4.7
67.05495	3.1
69.16283	15.0
70.06596	3.4
71.06885	1.8
79.05482	1.8
81.03421	6.1
81.07053	2.0
83.04968	1.6
85.02920	2.0
89.05775	1.7
91.05478	3.5
95.04954	2.4
97.02918	2.0
103.05456	2.1
105.07072	1.8
107.08592	1.8
109.02876	5.1
115.05463	9.9
116.07099	7.6
117.07018	2.7
118.71900	1.5
119.29635	1.5
121.02901	2.3
125.02342	2.5
128.06190	4.0
129.07001	5.4
131.04929	7.2
133.06508	2.5
135.04442	3.5
137.02347	2.8
137.06003	1.8
139.03827	1.8
141.06984	2.1
143.04913	8.7
145.06509	18.6
146.07254	6.0
147.08031	2.2
151.03899	3.8
151.07559	11.7
157.06517	11.1
157.10236	1.6
158.07196	4.4
159.04404	13.3
159.08034	6.4
160.05196	2.7
161.05946	8.2
162.06784	1.9
163.03935	6.5
165.01903	3.3
165.05473	4.1
165.06943	2.4
169.06477	2.1
171.04462	6.2
171.08035	2.7
172.08823	11.7
173.05997	23.1
174.06787	8.3
175.07576	9.5
176.08342	5.7
177.09109	11.5
178.07706	1.9
179.03458	1.8
181.06551	2.7
182.07256	2.5
183.08089	2.1
185.06050	9.8
186.06787	2.2
187.07573	13.9
188.08298	11.2
189.09123	100.0
191.10542	2.2
193.04958	4.8
193.76237	1.7
195.08107	2.0
196.08823	2.5
197.05983	5.5
199.07573	2.5
200.08397	1.6
201.05466	2.9
201.09113	37.3
202.09886	6.9
203.10678	32.5
204.09386	1.6
208.08783	1.9
209.09602	2.2
211.07596	3.6
212.08090	1.9
213.09122	7.4
214.09851	1.9
215.07094	4.0
215.10718	5.1
217.08577	4.0
219.08253	3.1
219.10257	6.0
220.08920	1.7
221.11755	2.1
223.07538	3.8
224.08401	2.4
225.05560	4.3
225.09169	2.8
227.10687	3.6
229.08722	1.8
231.08081	3.5
231.10170	23.6
235.07501	4.4
236.08443	2.1
239.07137	3.8
239.10718	5.9
241.08682	13.9
243.10187	2.4
249.09012	3.1
249.11206	16.3
251.07097	3.5
251.10725	3.9
253.08463	3.6
253.12247	2.0
254.09482	1.9
255.10181	8.9
263.07147	2.6
263.10535	2.0
265.08572	4.1
266.09515	1.9
267.06473	3.3
267.10202	5.0
269.07895	3.0
269.11765	2.4
275.07086	2.0
277.08536	3.2
279.06879	2.1
279.10150	6.8
281.08167	1.9
281.11694	3.1
283.09750	3.7
289.08597	2.0
291.10248	5.1
293.08044	5.1
293.11511	4.0
295.05975	2.2
295.09619	3.0
297.07831	2.2
297.11328	2.2
303.10159	2.7
305.08072	2.2
307.09653	3.6
308.10580	2.0
309.11148	4.4
311.12613	1.9
319.09726	3.3
320.10452	3.7
321.07611	8.0
321.11252	9.9
323.09204	4.1
333.11264	2.2
337.10690	5.1
338.11682	3.3
339.08640	2.6
339.12317	5.0
349.10510	1.8
351.12360	2.9
355.11868	3.5
357.13412	2.2
367.11685	5.6
369.09546	7.2
369.13483	5.2
381.09534	3.1
451.15491	3.8
453.36752	1.8
461.13763	2.7
467.14877	6.4
479.14951	10.1
481.16165	3.0
485.15979	3.9
497.15970	10.5
509.16016	8.4
515.16956	10.8
527.17206	18.5
539.16876	5.8
545.18073	7.6
557.18372	11.4
575.19019	7.6
587.18982	15.4
605.19708	5.8
623.20874	6.0
623.42682	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	623.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01874	2.6
55.05503	2.5
65.03934	2.4
66.04716	0.8
67.05501	1.5
68.99790	2.6
69.03434	1.0
70.30845	2.0
79.05496	3.4
81.03441	3.4
81.07063	1.5
83.04986	17.8
91.05491	4.5
93.07024	0.8
94.04182	2.3
95.04976	3.4
97.06577	0.7
103.05482	3.4
105.07027	5.7
107.04952	3.2
108.02106	0.7
109.02880	1.1
109.06520	2.3
111.00787	1.7
111.04437	8.5
113.05996	1.9
115.05464	4.5
117.07032	4.9
119.04971	3.5
121.06509	2.7
122.03656	6.6
123.04428	4.6
125.02353	1.2
125.06006	0.7
128.06194	1.6
129.07043	4.0
131.04935	5.2
133.06496	5.7
135.04417	4.1
137.05988	100.0
139.03891	1.2
140.01070	0.7
143.04951	3.9
144.05701	1.5
145.06503	5.6
147.04416	2.3
147.08067	1.9
149.02441	1.0
149.05986	2.4
151.03922	43.2
151.05008	2.8
151.07574	2.7
153.05457	2.7
153.06963	0.7
155.06050	0.7
156.87793	0.7
157.06505	4.0
159.04448	2.8
159.08099	2.0
160.05247	2.5
161.06003	15.6
162.06883	1.1
162.74542	0.6
163.03922	2.1
163.07578	2.5
165.01863	2.9
165.05492	3.2
167.03419	3.8
167.07088	1.2
171.04382	1.1
171.08047	0.7
173.06003	4.7
174.06767	1.8
175.03949	1.3
175.07555	10.3
176.04790	0.9
177.05501	4.2
177.08990	1.4
179.08511	0.8
185.05989	0.9
187.07545	7.5
188.08324	0.8
189.05434	4.6
189.09149	6.3
190.06303	1.5
191.03342	1.0
191.07011	2.4
191.08502	1.1
192.04372	0.7
193.04910	1.5
197.06035	0.7
201.05467	2.1
202.06306	0.8
203.07063	3.4
203.10701	1.1
205.04936	1.9
205.06731	0.9
205.08588	7.9
207.06494	1.3
207.08212	0.8
211.07574	1.3
215.06999	1.5
217.04941	3.8
217.08635	1.4
218.07448	1.2
219.06339	4.1
219.08299	1.4
219.09995	0.8
221.09656	1.1
233.04507	2.1
233.08015	4.3
234.06816	1.5
235.05855	4.2
237.07306	1.3
237.09360	1.7
241.08688	2.0
247.05861	6.1
249.09094	2.6
249.11436	0.9
251.05528	1.1
251.10797	0.8
254.09503	0.9
261.09213	1.4
262.06287	0.8
263.07068	0.9
263.10782	1.2
265.06787	6.7
266.07816	1.1
269.08191	2.7
277.08685	2.8
278.09412	0.7
279.10156	1.6
280.06680	0.6
281.11664	1.3
283.09583	0.7
291.10239	1.0
293.08115	0.7
293.11838	1.3
295.09457	0.8
297.11203	3.6
299.12677	3.9
307.09900	1.3
307.13239	0.6
307.20856	0.6
309.11288	6.2
311.12787	1.0
321.11221	2.7
325.10727	2.0
325.14420	0.7
327.12311	8.2
329.13965	1.3
339.12228	5.9
341.10208	0.8
341.14111	0.8
353.10223	1.0
356.12573	2.0
357.08932	1.2
357.13342	19.3
371.14999	2.7
375.03329	0.6
391.11990	0.9
409.13013	1.2
421.12927	1.1
450.37021	0.7
479.15152	0.7
545.18048	0.9
565.20465	1.3
573.00092	0.7
575.19110	2.4
593.20056	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59604	0.7
59.24672	0.7
71.53056	0.9
74.02412	0.7
74.39545	0.6
79.21487	0.6
85.02910	1.0
92.51363	0.6
97.02876	0.7
98.06036	0.9
101.04145	0.7
115.05463	1.3
117.05777	0.7
117.07018	1.1
118.06550	16.2
130.06519	1.4
132.08093	5.6
141.05490	1.9
142.06514	1.6
143.07304	2.8
144.08102	10.3
146.06021	56.1
159.09196	6.9
162.05466	0.7
163.03952	1.0
170.06036	4.1
171.04506	0.6
172.04272	1.5
175.03960	0.9
188.07077	100.0
189.05582	0.7
189.07478	1.1
205.05031	2.0
205.09737	52.2
206.10109	1.4
215.03445	0.9
217.05016	1.0
221.04509	1.5
233.04431	3.0
235.05939	3.4
245.04500	1.6
247.05931	0.9
251.05536	2.2
257.10190	1.1
259.06024	1.2
263.05557	1.3
275.05542	2.2
277.06992	0.9
281.06622	1.3
287.05478	1.5
289.06860	0.9
301.07138	1.2
305.06552	2.5
317.06604	1.5
329.06299	0.9
335.07648	2.1
347.07251	0.8
353.08786	1.2
365.08698	1.7
383.09744	4.1
401.10876	3.5
418.25275	0.8
436.34314	0.7
480.16660	1.9
495.01041	0.7
604.19745	0.7
623.22552	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
53.50311	0.2
55.01878	1.1
55.05508	0.2
57.03427	0.5
58.06591	0.4
61.02914	0.6
67.05500	0.3
68.99779	0.3
69.03435	3.6
69.19887	1.4
69.20298	0.4
70.06572	0.6
71.04980	0.5
71.07365	0.2
72.08152	0.7
73.02917	0.8
79.05504	0.5
81.03427	3.7
81.07027	0.3
84.08134	0.4
85.02911	5.6
86.09705	0.2
87.00842	2.5
87.04459	0.2
91.03947	0.4
91.05465	0.8
93.07032	0.6
97.02900	2.0
97.06520	0.2
99.04455	1.4
101.63764	0.2
105.01902	1.4
105.07024	0.5
107.04943	0.4
107.08603	0.3
109.02881	3.3
117.01872	0.6
117.07018	0.4
118.01810	0.2
120.23882	0.2
121.10165	0.3
127.02985	0.3
127.03925	3.8
129.01817	0.5
131.08559	0.2
133.06461	0.2
135.04424	1.1
137.02382	0.5
137.05994	0.8
138.06718	0.3
145.04980	1.5
145.06253	0.2
145.10078	0.3
147.04405	0.4
147.08118	0.2
149.09613	0.3
151.03928	0.9
151.07549	2.1
153.01849	0.5
159.02928	2.0
159.04146	0.3
163.03951	1.0
165.05460	1.3
165.09102	0.3
171.08029	0.3
175.03918	0.3
177.05475	0.4
178.06299	1.1
181.01324	1.9
181.04887	0.3
183.02943	0.3
183.06575	1.2
197.04463	0.5
207.06560	0.3
209.04443	0.3
231.04997	0.5
271.05966	0.5
273.07559	0.3
285.04053	0.2
287.05515	0.6
298.04651	0.3
299.05493	1.8
300.06406	0.3
301.07004	1.4
302.04379	0.3
303.08469	0.3
314.07599	0.3
315.05017	1.6
315.08609	0.5
316.05746	0.7
317.06531	1.4
327.05164	1.3
329.06583	3.0
330.03726	0.4
331.08142	8.2
342.07281	0.8
343.04623	0.4
343.08188	1.7
344.05176	1.1
345.06000	2.2
346.06824	1.1
357.05682	0.3
359.07632	11.3
360.03802	0.3
360.08420	11.0
375.10757	100.0
376.11157	0.8
383.71518	0.2
429.12082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01873	0.6
57.03445	0.6
57.07080	20.6
59.04997	0.3
61.02917	0.4
62.64861	0.4
63.03156	0.4
65.03931	0.5
66.04714	0.4
67.05506	0.8
69.03433	4.7
69.40029	2.1
69.40439	0.6
70.06592	0.4
71.04962	1.0
79.05495	1.7
81.03419	9.3
81.07041	0.9
85.02911	4.1
85.06548	5.1
91.05488	4.8
93.07031	1.4
94.04201	2.4
95.04960	1.1
97.02899	7.1
99.04464	1.5
103.05467	2.2
103.07571	1.4
105.03354	0.4
105.07041	5.7
107.04953	1.2
107.08591	0.4
108.04469	0.6
109.02879	4.4
109.06508	1.3
115.05453	3.0
117.03370	0.5
117.07037	1.7
118.04160	0.4
119.04945	0.8
119.08584	2.4
121.06492	1.9
122.03654	5.6
123.04419	0.5
127.03918	6.2
128.06239	1.1
129.06999	1.6
131.04918	1.7
131.08543	0.5
132.05705	1.4
133.06502	5.6
137.05984	100.0
138.06343	0.5
143.04915	0.7
143.06006	0.5
144.05585	0.6
145.04973	3.4
145.06456	2.8
147.04398	1.5
147.08041	2.5
149.05997	4.2
151.03908	0.9
151.07578	1.4
153.10184	0.4
155.04929	1.0
157.06520	0.6
159.08101	2.5
160.05220	1.2
161.05994	16.1
162.06758	1.5
163.03888	0.5
163.07549	2.5
165.06975	0.7
169.06459	0.4
172.05219	1.1
173.06000	0.7
175.07561	29.8
177.09065	0.7
179.07074	1.4
185.05991	0.6
187.07541	8.5
187.09204	0.6
189.07066	0.8
189.09155	0.8
190.07799	1.4
191.08566	6.6
193.08623	3.7
193.10162	0.6
195.08092	0.5
199.07532	3.5
202.07817	1.2
203.08516	2.0
205.06703	0.8
205.08629	2.5
207.08144	1.1
208.08888	0.8
211.07695	0.4
217.08615	0.9
217.10509	0.7
218.07324	1.4
219.08061	9.5
220.08891	1.8
224.08452	0.4
229.10721	13.9
231.08099	2.9
233.09622	0.5
235.07582	0.7
236.08366	1.9
237.09113	0.6
246.13496	0.6
247.07603	4.8
247.11755	5.1
248.08226	1.8
251.10689	16.8
253.08682	0.8
259.07471	2.0
260.08331	1.1
261.09158	1.0
263.10764	1.6
264.07822	1.2
265.08685	0.7
269.11642	0.7
276.07877	1.1
277.08658	1.1
279.10181	13.6
280.10901	1.4
281.08090	0.9
283.09866	0.5
283.13263	0.4
291.10165	5.2
292.11041	0.9
296.10504	1.2
308.10400	0.4
309.11227	1.1
311.12790	37.8
321.11200	0.4
323.12790	14.0
325.14426	0.8
329.13943	2.4
335.12894	1.1
341.13892	7.5
353.13876	1.0
365.13882	0.6
377.13858	0.7
382.80148	0.4
401.13770	1.5
419.14957	0.9
437.15875	0.9
442.67078	0.4
521.22076	0.5
539.22784	1.1
557.24030	0.9
567.88660	0.4
622.32251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46316	2.8
55.01871	8.3
55.05524	14.0
55.63037	2.4
57.03451	22.1
57.07087	24.5
65.03942	3.7
65.57413	2.6
67.05185	5.0
67.05514	51.4
69.07060	10.5
71.04995	3.1
71.08639	18.2
71.52902	4.0
72.30529	2.8
78.15249	2.6
79.05513	25.5
81.07066	29.4
83.04987	3.6
83.08633	8.4
85.06548	11.5
85.10193	9.7
91.05493	25.7
93.07059	25.1
95.04982	52.8
95.08621	26.1
97.06548	6.4
97.10191	6.5
105.07053	18.9
107.04984	7.0
107.08609	16.2
109.06530	57.8
109.10184	9.6
111.08103	3.6
113.06017	27.8
117.07037	9.5
118.91302	2.8
119.08614	11.0
119.79321	2.6
121.06479	3.8
121.10150	6.8
123.11736	4.0
129.07045	6.9
131.08583	11.9
133.06427	4.0
133.10141	9.2
135.08072	45.2
135.11693	3.5
143.08604	6.8
145.10153	12.4
147.08064	8.9
147.11720	5.6
149.09648	6.4
157.10141	5.6
159.08000	2.8
161.09689	6.7
161.13223	3.6
171.11693	3.7
195.13853	4.1
217.15852	14.6
237.16367	4.0
255.17577	4.0
273.18558	37.5
291.19586	100.0
313.27414	40.6
347.22336	8.7
365.23206	13.4
413.53848	3.3
446.21527	3.1
447.21558	3.2
509.40762	3.7
533.26648	3.0
561.25134	10.2
579.70117	3.6
585.45013	14.0
603.46387	53.5
621.27045	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42855	1.0
53.03950	8.4
55.01891	6.2
55.05503	1.3
57.03428	3.5
61.02914	3.8
61.44482	1.1
66.70425	1.1
67.05499	2.6
68.99780	1.8
69.03436	17.3
69.07055	1.5
70.06599	1.6
71.04977	4.1
71.52653	2.2
73.02906	5.2
79.05486	3.2
81.03426	20.2
81.07043	3.6
85.02911	43.6
87.00829	21.8
91.03941	1.4
91.05492	4.3
93.07049	1.2
95.04960	2.4
97.02901	28.9
97.03516	2.0
99.04469	9.4
100.11236	1.2
103.05441	3.3
105.01868	12.6
105.07039	2.1
107.04956	1.3
109.02891	23.5
109.06507	1.6
111.04444	1.6
115.03911	1.9
115.05450	10.5
117.01837	2.8
117.07017	2.9
121.06345	1.3
122.03659	2.1
125.05971	1.2
127.03922	33.5
128.06226	1.8
129.01839	2.2
129.07016	9.5
131.04944	5.4
135.04424	74.7
137.05984	53.3
143.04933	27.4
145.04955	13.3
145.06483	14.6
145.52402	1.2
147.02896	1.4
147.04434	2.7
149.02289	1.4
149.06013	1.5
151.03894	4.4
151.07497	1.9
153.05405	3.5
157.05397	1.3
157.06473	6.6
159.02890	10.0
159.04231	2.0
160.05194	18.7
161.05988	4.6
163.07535	4.2
172.05240	1.5
173.06001	67.3
175.07558	100.0
177.05501	1.5
177.09053	1.5
177.51701	1.1
178.75906	1.1
185.05981	26.9
187.07559	42.8
189.09114	8.2
199.07513	2.6
203.07001	19.4
203.08543	2.4
205.08595	27.2
209.05994	2.0
213.03963	3.4
215.07034	3.1
217.08609	5.3
219.08034	4.1
219.09959	1.5
231.04965	7.6
231.08070	3.4
233.08069	28.7
235.09654	31.5
237.05482	2.5
247.07561	3.2
248.08362	1.7
249.08990	1.3
253.04860	1.4
259.07520	2.3
261.09131	4.6
263.10654	2.2
268.07272	3.8
269.08081	8.2
277.08606	4.0
279.10257	2.4
281.08047	2.2
289.08652	7.4
291.10120	6.8
309.11258	7.1
321.11243	13.1
323.12677	3.6
339.08307	2.3
339.12314	37.0
339.16364	2.2
355.11774	5.3
459.02225	1.3
460.27530	1.9
530.97778	1.3
621.47168	1.4
622.32361	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	621.2708
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.45314	0.3
57.63187	0.3
58.79873	0.2
69.77055	1.2
70.33369	0.2
78.49776	0.2
85.40056	0.3
98.21538	0.3
102.19711	0.2
141.79819	0.2
262.70526	0.2
366.01089	0.2
387.16138	0.6
388.16833	0.6
389.17749	1.6
390.18503	0.9
401.17816	0.7
402.18750	0.4
403.19440	2.8
404.20013	1.1
405.20819	1.4
415.19556	0.5
416.15897	0.4
416.20682	0.5
417.17084	1.7
417.21063	1.5
418.17282	0.6
418.22150	0.6
419.22433	4.2
420.23254	0.3
427.19775	0.3
430.17889	0.7
431.18146	4.1
431.23639	0.5
432.19159	1.4
433.20239	1.8
443.18591	0.4
445.20163	3.8
446.20932	4.6
447.21869	6.8
448.22531	0.6
459.21860	1.6
460.23151	0.5
461.19955	0.8
473.19537	0.8
473.24112	0.6
474.20374	3.9
475.21228	5.6
478.23843	0.3
487.21472	2.0
488.22137	0.4
491.20316	0.4
501.23209	1.4
505.21768	0.3
505.26791	0.6
517.22247	0.4
518.23279	0.6
519.20612	0.5
527.49628	0.3
533.25574	11.3
561.25031	19.0
562.25854	0.4
589.24597	0.7
593.27545	2.7
621.27124	100.0
622.27240	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	621.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15524	0.3
52.91272	0.3
58.84190	0.4
69.06986	0.4
69.72032	1.6
69.72440	0.7
71.03962	0.4
75.25263	0.4
79.89982	0.3
104.85376	0.4
119.02725	0.3
144.20416	0.4
167.71561	0.4
289.03268	0.4
322.12970	0.5
326.54034	0.5
373.14594	0.5
374.15408	0.4
375.16278	0.9
376.17319	0.4
387.16397	1.4
388.16858	1.0
389.17645	4.0
390.18506	1.2
391.19073	0.9
401.17676	1.1
402.14084	0.7
402.18463	1.5
403.19583	4.6
404.20148	2.6
405.21140	2.2
415.19278	1.3
416.16315	1.6
416.20786	0.8
417.16162	4.5
417.21057	3.0
418.21780	1.2
419.22446	9.2
429.17078	1.1
430.17255	2.0
431.17941	7.7
431.22800	1.6
432.19278	2.8
433.20389	2.5
443.18497	0.9
444.19592	0.8
445.15591	0.5
445.20166	7.2
446.21045	5.6
447.21808	11.2
457.20441	0.5
458.21176	0.5
459.17258	1.2
459.21951	2.6
460.18173	0.6
460.23477	0.6
461.19769	1.5
473.19571	1.9
473.24319	1.2
474.20465	11.7
475.14352	0.9
475.21307	18.0
487.21530	4.4
488.21906	1.5
491.20935	1.3
501.23056	2.4
502.23837	0.6
505.25723	1.4
517.21466	0.5
518.23401	0.8
529.22369	1.0
531.36603	6.3
533.25531	12.2
546.22583	1.1
558.22968	0.4
561.25006	70.2
562.25500	1.6
589.24536	2.3
593.27893	2.7
593.35773	0.5
621.27136	100.0
622.27405	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2711
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
56.30688	0.2
57.14725	0.2
64.34361	0.2
66.92794	0.2
70.57485	0.2
82.02509	0.2
98.20788	0.3
137.73860	0.2
223.12373	0.2
247.35434	0.2
304.58997	0.2
314.16199	0.2
328.73892	0.2
338.16296	0.2
345.03790	0.2
373.14539	0.3
374.15369	0.3
375.16306	0.7
376.17151	0.3
387.16312	0.7
388.16943	0.5
389.17639	2.0
390.18607	1.0
391.19113	0.4
400.17389	0.4
401.17725	0.7
402.18958	1.2
403.15546	0.3
403.19507	2.2
404.20114	1.4
405.20871	1.5
414.18576	0.4
415.19864	1.0
416.15546	0.4
416.20984	0.9
417.16879	1.2
417.21823	1.7
418.21710	0.9
419.22470	4.0
420.23248	0.6
427.19238	0.4
429.21368	0.4
430.16995	0.9
430.22568	0.3
431.17719	2.4
431.22983	1.2
432.19348	0.7
432.24008	0.3
433.19839	1.0
441.20590	0.4
443.18799	0.6
444.15353	0.3
445.20801	3.7
446.21109	3.1
447.21936	5.8
455.22455	0.2
459.18335	2.7
459.22992	0.7
460.18008	1.1
461.19571	1.8
473.18597	1.5
474.20486	7.7
475.21347	11.5
476.21484	0.5
478.23975	0.2
486.20709	0.3
487.21555	3.5
488.21921	0.9
491.24585	0.6
492.25235	0.4
501.22995	3.1
502.23978	0.3
503.20386	0.3
505.26346	1.4
515.24298	0.3
517.22211	0.3
518.23035	0.6
519.20441	0.9
529.22620	0.8
533.25592	7.5
546.23016	0.4
547.22919	0.3
561.25024	33.9
562.25568	0.8
565.27722	0.5
589.24377	1.7
593.27625	0.8
621.27124	100.0
622.27417	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	621.2712
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
56.03856	0.3
57.05275	0.3
59.47532	0.2
67.50864	0.2
70.02355	0.3
77.44408	0.3
81.07049	0.4
93.07077	0.3
105.07101	0.3
164.05620	0.2
196.59854	0.3
206.65472	0.3
228.57031	0.3
230.40872	0.2
232.84512	0.2
257.53757	0.3
312.15204	0.4
374.15353	0.3
375.16205	0.8
387.16479	0.8
388.17102	1.1
389.17581	2.6
390.18454	1.0
391.19260	0.7
401.17770	0.9
402.18896	1.5
403.15475	0.4
403.19510	4.0
404.20300	2.0
405.20810	2.2
414.18607	0.4
415.19540	0.6
416.16211	0.9
416.20978	0.5
417.17096	3.8
417.21124	2.5
418.17081	0.5
418.21826	1.0
419.22470	7.5
420.23230	0.6
429.16776	0.6
430.17670	0.8
430.22565	0.5
431.18164	6.8
431.23648	0.5
432.19153	2.7
433.19977	2.6
443.18918	0.9
445.20200	6.1
445.29587	0.3
446.21027	6.6
447.21823	8.8
448.23294	0.4
459.17255	0.7
459.21881	2.3
460.18912	0.9
461.19507	1.6
462.20651	0.3
463.21323	0.5
473.19739	1.0
473.23856	1.1
474.20453	5.8
475.21277	7.5
478.23679	0.3
487.21408	2.9
488.22165	0.5
491.20084	1.4
492.25256	0.3
501.22717	1.9
502.23425	0.3
505.25653	1.7
507.63751	0.3
517.22412	0.4
518.23279	0.4
519.23499	0.3
520.25012	0.3
529.22369	1.0
533.25507	15.5
561.24963	21.7
562.25372	0.4
565.27594	0.6
589.24365	0.8
593.27673	3.8
621.27106	100.0
622.27264	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	621.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	1.0
52.28587	0.6
53.03945	5.2
55.01874	6.9
55.52926	0.7
57.03448	2.9
59.62069	0.6
61.02920	2.3
65.03942	2.6
67.05514	1.7
68.99782	2.1
69.03433	17.1
69.62469	1.5
69.62893	2.2
71.04995	1.6
73.02912	2.9
77.03933	1.4
79.05495	3.5
79.05870	0.6
81.03425	24.6
81.07055	1.3
85.02911	25.7
87.00832	12.0
91.03945	1.5
91.05453	1.5
93.03403	1.2
93.07050	0.9
93.12342	0.6
94.04216	0.6
95.04977	1.6
95.08652	0.6
95.57198	0.7
97.02895	11.2
99.04458	5.6
103.05491	1.8
105.01881	6.2
105.03390	1.1
105.07035	0.8
107.04955	1.5
107.08553	0.7
108.02115	1.9
109.02885	15.8
109.06546	1.1
111.04441	1.3
115.05452	4.0
117.01860	2.2
117.07024	2.3
119.04965	3.0
119.08569	0.8
122.03625	1.8
123.04409	0.8
125.06010	1.4
127.02979	1.1
127.03922	20.3
128.06227	4.7
129.01822	1.9
129.07010	19.8
131.04945	3.4
131.08585	0.8
135.04425	100.0
137.05986	29.7
139.44330	0.6
141.05469	1.3
143.04918	6.6
145.04976	5.4
145.06461	2.6
147.02942	1.2
147.04428	3.1
147.08118	0.9
149.02362	12.8
149.03522	1.3
149.06062	1.3
151.03917	93.3
151.05017	7.6
153.05498	1.7
155.04932	1.0
157.06497	19.5
159.02914	6.7
159.04425	1.8
160.05240	1.7
161.05981	3.7
163.03986	1.6
163.07437	0.6
165.05496	3.0
171.04413	3.8
172.05255	0.8
173.05995	4.8
174.06793	1.4
175.07570	4.4
177.05415	1.2
177.09102	1.0
179.07080	3.0
181.05028	0.7
183.04427	1.1
185.05980	4.0
187.07552	19.8
189.04048	0.9
189.05492	5.4
189.09138	3.5
191.07045	3.2
191.08589	1.4
196.91743	0.7
200.04662	0.8
201.05492	12.9
203.07039	26.9
205.08545	5.0
207.07988	0.7
213.05508	2.6
215.07051	2.5
218.07211	0.8
219.08226	4.0
221.08093	2.7
231.06622	18.7
233.08078	8.6
234.06787	0.8
235.07588	2.1
241.04964	1.2
246.06725	0.8
247.07574	4.5
248.08392	0.7
249.07387	6.4
251.09097	1.4
259.07632	2.1
261.09167	1.5
263.07190	2.0
264.07785	2.1
265.08655	1.5
267.10043	1.1
269.04483	0.8
275.07111	2.6
276.07776	1.4
277.08624	4.7
279.10226	4.0
282.08893	1.2
283.06052	1.9
284.06805	8.1
287.07135	1.4
289.08551	0.9
291.06546	0.7
292.07391	1.5
293.08148	3.3
294.09006	1.0
295.09653	2.2
297.11218	0.8
304.07413	0.8
305.08038	4.0
306.08792	0.8
307.09604	7.0
309.11142	4.4
310.08395	2.1
319.09592	5.7
324.09674	0.7
325.10742	17.4
327.12381	0.9
337.10724	24.5
337.14096	0.9
339.12411	1.9
343.11679	5.5
355.11765	81.6
356.11942	1.1
357.13278	7.4
373.12842	45.5
456.15479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
51.27498	0.4
53.00313	0.8
53.03957	3.7
55.01875	5.7
55.05512	0.9
57.03435	2.7
61.02910	1.9
65.03941	4.1
65.87646	0.6
67.05505	1.3
68.99783	3.0
69.03088	0.9
69.03440	15.1
70.06584	2.1
71.04978	1.8
71.53013	0.9
73.02923	2.6
73.14871	0.5
79.05524	2.7
81.03426	25.3
81.07045	2.3
83.01346	0.9
83.04974	0.9
84.08158	1.2
85.02914	20.6
87.00842	10.7
87.04454	0.6
91.03955	1.1
91.05489	3.2
93.03406	1.0
93.07037	1.5
94.04191	1.9
95.01322	0.8
95.04977	2.3
95.08612	0.9
97.02906	9.2
99.04475	4.4
103.05471	1.8
105.01865	4.4
105.03403	1.0
105.07040	1.7
107.04964	1.9
107.08622	0.7
107.15525	0.6
109.02894	14.0
109.06516	2.1
109.10178	0.9
111.04453	1.1
115.05447	3.6
117.01853	2.4
117.07030	2.1
119.04959	3.6
119.08595	1.3
121.02846	1.0
121.10131	1.2
122.03675	4.7
123.04443	2.4
127.03927	16.4
127.04816	1.1
128.06226	3.3
129.01897	1.0
129.07019	16.0
129.10260	0.6
131.04948	5.3
131.08597	2.2
133.10081	1.0
135.04428	34.0
137.05989	88.7
139.03905	1.3
143.04950	5.7
144.05627	0.6
145.05020	4.2
145.06480	4.1
147.02925	0.9
147.04433	6.6
147.08112	0.6
147.11658	0.5
149.02359	100.0
151.03926	14.3
151.05066	0.9
151.07504	1.1
153.05525	0.6
155.04933	1.6
155.06053	0.8
157.06502	18.0
158.07173	0.6
159.02928	5.9
159.04437	2.4
159.08112	0.7
160.05215	1.3
161.05995	3.3
161.09666	1.1
163.03925	4.1
163.07539	1.6
165.05510	1.5
171.04411	3.5
173.02386	0.6
173.05995	5.0
174.06731	2.6
175.03937	1.1
175.07608	3.9
177.05493	10.4
177.09134	0.6
183.04462	1.2
185.06038	2.1
187.03973	1.0
187.07564	8.7
188.04691	0.9
188.08293	0.8
189.05496	6.1
189.07288	1.1
189.09108	11.1
191.07045	3.1
191.08595	1.7
199.03824	0.9
201.05492	40.4
203.07027	14.8
203.08716	1.2
205.08615	2.6
207.08177	1.2
213.03807	0.9
213.05545	2.5
215.07092	2.1
217.08537	0.8
218.07393	0.9
219.06235	4.0
219.08377	4.4
231.06612	13.5
231.08569	1.0
233.08093	14.7
234.06841	0.7
235.07634	1.2
235.09741	1.2
239.10713	0.7
241.05084	0.9
246.06715	1.0
247.07594	4.6
248.08386	0.7
249.07607	1.8
251.06920	0.8
251.09055	3.7
259.07578	2.1
261.09180	2.4
262.06314	0.9
263.06918	1.3
264.07883	1.0
265.08597	1.3
267.06750	0.6
267.13400	0.6
269.04251	0.7
275.07031	1.7
276.07993	0.9
277.08627	5.7
279.06491	0.7
279.10260	2.1
282.08932	1.1
283.06046	1.3
284.06808	4.0
289.08710	1.9
292.07419	1.0
293.08182	1.8
295.09781	1.0
297.07559	0.7
297.11362	0.9
304.07468	1.5
305.08142	8.5
306.08826	0.8
307.09622	3.7
309.11166	2.8
310.08435	1.3
319.09720	6.5
322.08463	1.1
325.10745	15.9
325.14404	1.1
337.10754	23.6
337.14182	1.2
339.12305	3.6
343.11737	2.9
355.11786	58.9
356.12485	0.8
357.13428	7.0
373.12836	30.7
429.19281	1.5
603.16821	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.3
53.03955	4.3
55.01877	7.4
57.03434	1.9
60.01606	0.7
61.02921	2.0
64.90044	0.6
65.03952	3.6
67.05498	0.9
68.99791	2.7
69.03085	1.1
69.03437	14.7
70.06602	16.5
71.04992	2.1
71.06929	1.4
71.11079	1.4
73.02919	2.6
73.97312	0.6
79.05499	2.4
81.03429	24.6
81.07050	1.0
83.61504	0.7
85.02915	20.7
87.00842	10.8
91.03987	0.8
91.05490	2.0
93.03427	0.9
93.07054	1.1
94.04225	1.5
95.01360	1.6
95.04973	0.9
97.02911	9.4
98.67298	0.6
99.04465	5.5
103.05489	1.5
105.01872	5.3
105.03387	1.1
105.07037	1.0
107.04938	0.8
109.02894	13.2
109.06519	3.0
109.07203	0.7
111.04434	0.9
115.05497	3.9
115.06174	0.6
116.07107	28.0
117.01871	1.5
117.07531	3.2
119.04944	2.3
119.08578	0.9
121.02858	1.4
121.53410	0.6
122.03661	5.2
123.04456	1.3
127.03934	16.7
128.06215	3.9
129.01843	1.2
129.07016	16.0
131.04970	4.8
135.04431	32.7
137.05994	81.9
139.03842	0.9
143.04915	5.8
145.04985	5.0
145.06512	3.8
146.07307	0.7
147.02902	0.8
147.03285	0.8
147.04424	6.0
147.08093	0.7
148.85098	0.6
149.02361	100.0
149.03351	3.7
151.03934	16.2
151.05089	0.9
155.04889	2.1
155.06039	1.2
157.06506	14.9
159.02925	6.3
159.04288	1.5
160.05348	0.9
161.05977	3.4
161.09613	1.4
163.03935	2.9
163.07581	0.9
165.05452	1.8
168.36122	0.7
171.04373	3.3
172.05228	0.8
173.05975	5.8
174.06801	2.8
175.03986	1.1
175.07619	4.9
177.04033	1.2
177.05486	8.8
183.04419	1.1
185.06012	2.1
187.03882	1.2
187.07567	10.9
188.04689	0.9
189.05508	7.2
189.09123	14.1
191.06984	2.6
191.08601	1.5
201.05493	43.6
203.07047	14.4
203.08791	1.2
205.08687	2.0
207.07983	0.8
213.05618	0.9
215.07048	1.6
218.07256	0.8
219.06297	5.0
219.08496	3.5
220.08762	0.8
221.08186	0.9
231.04808	1.1
231.06598	12.8
233.08113	14.2
234.06720	0.9
235.07559	1.6
236.08357	0.9
241.05008	1.0
247.07568	5.1
249.07655	2.4
251.09010	3.6
259.07584	1.9
261.09280	2.1
262.06326	1.1
263.11163	0.6
264.07883	0.7
265.08444	1.1
269.04382	0.8
275.07047	3.0
276.07883	1.0
277.08768	3.9
279.10330	2.3
282.08820	0.8
283.06168	2.0
284.06857	4.0
287.07162	1.2
289.08569	1.4
293.08179	2.5
295.09756	0.9
297.11026	0.9
304.07199	1.8
305.08130	8.2
307.09595	3.1
309.07990	0.8
309.11282	3.5
319.09689	7.3
321.44736	0.7
322.08377	1.0
325.10760	17.4
325.14435	1.4
337.10748	23.1
339.12372	3.7
343.11755	1.9
351.70862	0.7
355.11798	55.9
357.13330	8.2
373.12857	32.7
373.17676	0.7
441.53015	0.7
536.61511	0.7
621.24969	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	621.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.0
53.03952	6.3
55.01878	5.0
55.73586	0.9
57.03431	1.9
61.02935	1.3
65.03938	1.6
65.78901	0.7
67.05511	1.3
68.99812	2.2
69.03433	12.9
69.38130	6.9
71.01388	0.9
71.05005	1.8
73.02934	3.0
79.05495	1.8
81.03424	51.1
81.07053	1.6
84.08186	0.9
85.02431	1.7
85.02910	21.8
87.00838	12.0
91.03959	1.1
91.05503	2.2
93.03389	1.5
93.07086	1.2
94.04213	1.0
95.04979	0.9
97.02898	11.9
99.04459	3.5
103.05447	1.2
105.01888	5.2
105.07040	1.7
107.08612	0.8
108.02121	1.7
109.02884	10.3
109.06541	1.4
111.04449	1.3
115.03992	0.9
115.05453	2.3
117.01845	1.1
117.07040	1.2
119.04935	1.2
121.10109	0.9
122.03707	1.7
123.04418	2.0
125.06030	1.6
127.03927	16.3
128.06256	2.0
129.01868	1.1
129.07007	11.2
131.04970	3.5
131.30466	0.9
135.04424	27.9
137.05988	44.4
141.05449	1.8
143.04936	3.8
143.42091	0.9
145.02876	1.0
145.04985	4.6
145.06512	2.5
147.02859	1.1
147.04445	2.1
147.08087	1.3
149.02342	8.9
149.05923	1.2
151.03922	100.0
151.05023	8.2
153.05571	1.4
157.06500	18.0
159.02928	6.0
159.04390	1.9
159.07990	1.0
160.05272	0.9
161.05995	2.4
163.03893	1.5
165.05479	4.3
171.04460	3.7
173.05997	3.6
175.07561	4.3
177.05519	2.8
183.04456	1.3
185.05991	2.3
187.07553	15.2
189.05473	8.2
189.09221	1.9
191.07088	3.5
201.05467	6.7
201.92119	0.9
203.07042	13.7
203.08797	1.4
205.08614	29.5
213.05507	1.8
215.07001	1.4
219.06476	2.0
219.08269	2.0
221.08208	1.6
231.06642	11.2
233.08073	10.7
241.04958	1.4
247.07542	2.6
248.08403	1.0
249.07581	13.9
259.07584	2.7
263.06879	1.1
264.07794	1.1
267.10010	1.1
269.04471	1.1
277.08481	1.1
279.10162	1.4
282.09076	1.3
283.06104	2.7
284.06812	12.0
285.07635	1.1
287.07025	2.0
295.09695	2.4
305.08282	1.7
307.09583	3.9
309.11215	2.9
319.09695	6.1
325.10733	8.8
337.10754	17.7
339.12329	1.8
343.12033	5.5
355.11801	46.3
356.08887	2.7
357.13297	5.2
373.12842	21.2
373.17221	1.8
416.19565	0.9
427.10391	4.7
459.13409	1.1
496.08914	0.8
589.15094	3.0
621.35376	1.0
626.85864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30949	4.3
53.03940	10.3
55.01873	19.9
55.05507	13.8
57.03430	13.7
61.02917	5.0
67.05505	44.1
69.03439	65.5
69.07059	18.2
70.06591	4.2
71.04996	7.4
71.52519	5.4
76.33028	3.9
77.33994	3.5
79.05505	36.5
79.23168	4.5
81.03422	32.4
81.07063	45.6
83.04985	7.8
83.08613	6.0
85.02914	100.0
91.05501	31.4
93.07052	49.5
95.04961	11.3
95.08604	31.2
97.02902	36.4
97.06529	4.2
99.04449	13.7
101.02380	5.0
105.07060	27.6
107.08601	25.3
109.02875	12.7
109.10172	19.5
111.04494	4.8
117.07025	17.3
119.08614	24.3
121.10110	21.6
123.11755	6.2
127.03918	55.5
128.06180	6.0
129.07005	9.1
131.08571	25.2
133.10159	22.7
135.11697	13.0
143.08606	7.8
145.04948	24.3
145.10165	19.3
147.08028	9.2
147.11679	15.5
149.02315	4.6
149.09691	5.7
149.13278	10.2
157.10127	5.7
159.08078	6.1
159.11678	12.5
169.10120	7.2
171.11638	7.1
173.13295	9.8
180.08723	9.3
183.11722	6.8
185.13234	10.5
187.14758	5.4
210.81033	4.3
241.32487	3.8
243.21159	4.8
259.20303	5.6
259.52780	4.4
261.22198	12.0
273.22012	4.9
277.14026	4.4
277.21594	7.4
279.23053	7.8
303.23206	10.8
315.23300	4.5
327.23151	5.6
341.24719	8.4
345.24393	8.4
351.23096	10.0
369.24258	32.7
387.25363	39.1
405.26270	45.2
423.27350	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	620.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
51.17686	1.1
53.03955	9.7
55.01880	18.8
55.05520	8.0
57.03440	6.3
57.07084	1.9
61.02908	1.4
65.03962	1.9
67.01880	1.0
67.05512	46.8
69.03439	40.0
69.03820	1.8
69.07080	7.9
69.14836	11.4
69.15139	1.0
71.05000	13.6
73.02928	9.2
73.63700	1.0
74.29392	1.0
79.05502	28.7
81.02943	2.1
81.03426	40.7
81.07064	46.5
83.04990	3.1
83.08634	5.9
85.02915	18.2
87.04489	1.3
91.05487	16.0
93.07054	34.9
95.04969	3.4
95.08614	40.8
97.02902	38.1
97.06544	1.6
97.10181	3.0
99.04467	68.5
101.02377	3.7
105.07040	15.3
107.08612	19.1
109.02140	2.3
109.02889	42.5
109.06528	1.7
109.10167	19.0
111.04448	9.1
111.08115	1.2
117.07033	4.8
119.08588	12.2
121.10168	18.8
123.11723	11.5
127.03931	100.0
129.05489	1.1
129.07001	2.0
131.08578	10.9
133.10141	10.6
135.11700	13.8
137.13278	3.3
143.08568	2.3
145.04973	18.3
145.10124	9.3
146.48421	1.1
147.11688	6.2
149.13266	7.4
157.10161	1.3
159.11734	7.0
161.13237	6.0
162.07776	1.5
163.11252	1.4
163.14822	3.0
165.12747	1.7
171.11649	2.3
173.13239	5.9
175.14874	2.6
179.14369	1.4
180.08583	1.5
185.13239	1.2
187.14848	2.9
197.13216	1.5
199.14810	1.7
231.21043	1.5
241.19620	1.4
243.21083	5.2
259.20551	7.8
261.22192	20.5
277.21600	8.6
279.23254	4.7
293.41916	1.1
315.23322	1.5
341.25064	2.0
351.23303	1.7
357.24225	3.5
369.24054	7.4
377.95703	1.0
387.25067	5.9
405.26245	9.9
423.27457	62.1
620.39948	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.4
51.02376	0.7
52.57991	0.2
53.03711	0.3
53.03952	4.7
53.63270	0.2
55.01880	0.5
57.03435	0.2
67.98646	0.2
69.03436	1.8
77.03903	1.1
79.05497	0.6
81.03416	2.0
85.02898	2.5
87.00832	1.2
91.05490	0.3
95.04981	5.6
95.08569	0.4
97.02901	0.9
99.04458	0.7
105.03401	100.0
105.04543	3.0
109.02887	1.5
122.06049	2.1
127.03934	1.9
129.01793	0.3
145.04947	0.6
147.38635	0.2
148.07605	0.2
159.02901	0.6
165.07007	0.3
179.08574	0.2
189.07033	0.6
190.07854	0.8
191.08565	10.0
192.08986	0.2
207.08154	0.4
208.08821	0.4
210.99426	0.2
215.08574	0.2
217.08679	0.2
218.07735	0.2
218.09662	6.9
219.08081	14.1
219.10315	0.8
220.08746	0.9
231.04964	0.2
234.09106	0.5
235.09962	0.3
236.08348	1.1
251.10690	3.9
274.29996	0.2
282.24911	0.2
340.13358	44.0
341.13785	0.7
358.14423	4.4
372.15982	22.0
373.16199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36912	0.5
55.05514	3.9
57.03435	1.7
57.07071	2.0
63.05480	0.5
65.03909	0.8
65.12868	0.6
67.05511	6.3
69.07069	4.0
71.08636	1.0
71.09600	1.0
71.09927	0.7
75.14294	0.5
79.05491	2.1
81.07076	5.3
83.04974	1.2
83.08625	2.4
87.04469	2.5
89.95642	0.5
91.05482	2.3
93.07042	2.4
95.08616	4.2
97.06550	0.8
97.10152	1.2
98.98463	1.4
105.07021	1.2
107.08597	1.8
109.06503	1.3
109.10168	3.8
111.04462	0.5
111.08107	0.6
119.08601	1.3
121.10142	1.5
123.11753	0.8
125.09608	1.1
131.08551	0.5
133.10173	1.6
135.11728	0.7
145.10066	0.8
147.11758	0.7
155.01042	0.9
155.10718	0.6
157.43398	0.6
173.11789	0.6
180.23895	0.5
199.07045	0.6
211.13297	3.6
227.12881	0.7
273.18509	0.8
283.15173	13.3
283.18109	0.9
291.19452	1.0
311.25912	1.3
313.27628	0.6
331.26190	1.0
332.79007	0.6
337.27362	0.8
339.17697	3.5
340.29230	0.7
383.14496	1.0
433.20145	0.7
441.00330	0.6
521.38385	1.1
565.53888	0.6
601.45276	0.9
619.41846	100.0
620.42413	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01875	0.3
56.55849	0.3
57.03438	0.4
58.06609	0.5
63.02393	0.3
65.03954	0.4
68.05031	0.5
69.03426	0.7
70.06609	1.6
71.53144	0.3
72.08144	0.3
79.05498	0.6
79.71576	0.3
81.03428	2.1
81.07056	0.3
82.06592	1.1
84.08141	0.6
85.02913	0.9
88.03999	0.3
89.03930	1.9
91.05491	0.9
93.03416	1.0
95.04979	0.5
95.08575	0.3
97.02935	0.6
103.05509	0.3
105.07066	0.3
107.04971	0.8
109.02892	2.4
114.05550	1.9
116.07117	1.9
117.03394	3.3
117.07009	0.3
119.04981	2.0
121.02840	1.4
121.06562	0.4
122.06036	0.8
123.04504	0.3
127.03925	0.5
128.06290	0.4
128.07098	2.3
129.07040	0.7
131.08557	0.3
135.04431	5.7
136.06201	1.5
137.06000	0.4
145.02859	5.1
145.06470	0.9
147.04433	4.4
147.08078	0.6
151.03915	0.8
160.05133	0.4
161.06010	0.6
163.03923	41.4
165.05501	0.7
173.06010	6.9
175.03925	22.6
175.07500	2.9
177.05511	2.1
181.04916	1.5
185.05995	0.4
191.07045	1.6
193.05099	0.4
201.05505	11.6
203.07071	1.6
205.05113	0.4
205.08698	0.4
214.08667	2.1
216.10181	1.5
219.06584	1.5
220.09875	0.3
227.56178	0.3
229.04907	2.6
232.09711	40.4
234.11266	0.3
238.27548	0.3
247.06053	2.4
266.10394	0.5
278.10260	100.0
279.10626	0.5
284.11462	0.3
296.11331	19.1
302.22791	0.3
303.05038	1.0
307.08264	1.8
312.10806	1.3
318.11859	0.9
325.09445	1.3
602.18744	14.2
620.19611	4.6
620.28705	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
54.69036	1.4
55.01865	6.7
57.03423	1.7
61.02894	1.7
67.05515	1.7
68.99798	2.0
69.03423	12.2
70.06582	2.7
71.04974	2.3
71.53527	3.0
71.90548	1.6
72.08160	2.8
73.02920	2.8
74.03999	1.8
79.05491	3.9
81.03421	15.7
85.02908	22.2
87.00827	11.5
91.05485	1.8
93.07011	1.9
95.04960	3.6
95.08613	2.6
97.02894	13.9
99.04435	5.9
103.05437	2.0
103.64655	1.4
105.01906	7.6
105.07019	3.8
106.97771	1.6
107.04946	2.8
109.02897	8.6
115.05448	2.9
117.06980	3.0
119.04942	1.5
127.03928	18.9
129.06992	5.4
131.04955	5.2
132.05756	3.5
135.04422	100.0
136.04791	2.2
137.02359	5.8
137.05939	1.6
139.03899	2.6
143.04944	3.3
145.04939	9.2
145.06432	4.0
147.04411	5.0
149.02312	3.6
151.03912	36.1
157.06512	5.0
159.02873	6.7
159.04286	2.5
160.05168	2.7
161.05956	6.8
163.03850	1.8
173.05986	25.7
175.03940	3.6
177.05447	4.7
181.05013	1.7
185.05991	50.9
186.06749	5.9
187.03923	1.9
187.07521	6.0
189.05507	3.6
191.06996	3.8
192.07794	9.4
193.08678	2.4
201.05441	5.4
203.07027	28.2
207.08167	2.4
215.06990	10.1
217.05023	1.8
217.08531	3.8
219.08110	3.4
231.04959	2.3
233.08115	21.1
235.07442	3.2
247.07637	3.0
249.07437	1.8
263.06952	3.1
277.08588	4.9
293.08069	6.0
305.07980	7.1
321.07538	4.0
323.09067	6.8
335.09189	15.3
337.10840	2.7
353.10168	21.4
355.12360	1.8
371.10797	1.8
407.94122	1.7
475.07205	1.6
619.35193	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	619.2768
Annotation	azadirachtin I
Peak:m/z	Relative Intensity
53.03935	0.6
55.01888	1.9
65.03931	0.6
67.05492	1.3
69.03431	0.7
70.06597	1.5
79.05470	1.0
80.04993	0.4
81.03394	0.9
81.07056	1.0
82.06580	0.5
83.08592	0.3
85.02900	0.8
87.00848	0.3
91.05488	1.7
93.03389	0.3
93.05772	1.0
93.07038	1.3
94.06570	0.5
95.04967	1.1
95.08610	0.3
97.02892	0.4
97.06536	0.8
103.05447	0.7
103.22781	0.3
105.04541	0.5
105.07021	1.1
106.06570	0.4
107.04936	0.4
107.08559	0.5
108.04482	0.5
108.08131	4.0
109.02845	0.3
109.06507	0.3
109.59135	0.3
110.06039	0.4
110.09666	1.3
115.05432	0.5
116.07107	1.0
117.03378	0.8
118.06521	0.3
120.08081	1.4
121.06554	0.4
122.06051	0.3
122.09735	0.7
123.04399	0.4
124.07577	0.5
126.09213	0.3
127.03911	0.4
131.04970	0.5
131.08574	0.5
133.06467	0.4
134.06067	0.4
135.04427	5.4
135.11754	0.4
136.07587	28.2
137.05992	2.4
143.04921	0.8
143.08571	0.3
145.02831	1.2
145.06496	0.3
145.10123	0.8
147.04373	0.4
148.07625	0.5
149.02325	0.9
149.05927	0.5
150.09181	0.4
151.03925	5.4
151.05038	0.7
151.07550	0.7
152.07089	0.9
159.08055	0.4
159.11728	0.5
160.03952	1.0
161.04674	0.7
161.05960	0.6
162.05537	0.7
163.07672	0.3
164.07089	7.7
165.05605	0.4
166.08635	3.5
168.06544	0.5
168.08028	0.4
172.07602	0.3
173.06003	0.8
175.07523	0.4
177.05492	2.4
178.05019	2.4
181.04971	0.9
184.07654	0.4
184.09927	0.5
185.07156	0.7
185.10760	0.7
186.09148	0.4
187.05119	0.6
187.11145	0.6
189.05472	0.5
189.09146	0.3
191.07047	0.7
196.07765	0.4
196.09982	0.5
197.10776	0.6
198.07742	0.4
199.03799	0.4
199.08604	1.5
201.06776	3.2
201.10277	0.9
203.07045	0.7
205.12172	0.3
208.11154	0.3
208.90756	0.3
209.10768	0.6
210.09306	0.4
210.11337	0.6
211.08723	0.8
211.12325	0.6
212.13437	0.3
213.06604	5.5
213.10204	2.6
215.08310	0.3
223.08662	0.8
224.09366	1.4
225.10269	0.8
225.13870	0.9
226.08667	0.4
227.08206	2.1
227.11777	1.2
228.10486	0.3
229.09720	1.9
231.07605	1.2
233.11620	0.4
237.10269	0.9
238.08633	0.6
238.10841	0.5
239.08041	0.7
239.11812	1.3
241.09787	3.4
241.13391	0.5
242.14314	0.4
245.09290	0.4
253.13388	2.1
254.11801	0.8
255.07657	2.7
255.11292	3.4
255.13750	0.4
255.15154	0.4
257.09155	1.3
259.10748	0.5
265.09674	1.3
266.07983	0.4
267.07623	0.4
267.11224	0.3
269.09250	5.6
271.14426	1.0
273.08655	0.9
273.15915	2.5
275.07169	0.4
275.10159	0.5
281.08224	0.4
281.12866	4.7
282.38870	0.3
283.10767	6.2
285.07596	0.7
285.12268	0.4
287.10376	0.7
291.11432	0.4
293.09222	1.3
299.13876	6.2
301.11725	0.8
302.12790	0.3
303.13379	3.0
311.10275	33.7
313.07089	0.4
325.10843	0.4
325.47293	0.3
329.11334	100.0
330.11850	0.8
335.09290	0.7
341.09979	0.3
347.12384	1.0
353.10107	2.7
371.11255	3.5
394.20926	0.3
422.20709	1.3
432.18991	0.7
436.26102	0.4
438.14215	0.6
438.20248	10.9
450.20313	6.1
556.38684	0.3
565.24432	0.4
583.25433	1.3
601.26538	8.5
619.30951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
55.05501	0.8
56.98048	0.3
57.03438	0.7
57.07085	0.4
67.05505	2.7
69.07074	0.9
70.68332	1.0
79.05503	1.9
81.03443	0.4
81.07066	3.5
81.09621	0.3
83.05022	0.4
83.08653	0.4
84.38844	0.3
91.05488	1.5
93.07054	2.1
95.08635	2.6
97.10249	0.4
104.21421	0.3
105.07038	1.1
107.08593	1.0
109.10175	1.1
117.07070	0.4
119.08621	1.2
120.08958	0.3
121.10167	1.1
131.08568	0.6
133.10182	0.9
135.11723	0.5
145.10117	0.5
147.11783	0.4
149.09581	0.3
168.09366	0.3
175.11163	0.5
221.15450	0.7
222.15932	0.5
233.11528	0.6
283.15170	11.8
335.25735	0.7
339.17795	3.8
617.40265	100.0
618.40631	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	1.0
53.03955	3.6
55.01876	5.0
57.03426	2.2
61.02917	1.6
65.03944	2.0
67.05503	0.8
68.99779	2.3
69.03439	12.4
70.96868	0.8
70.97190	0.6
71.04994	1.4
73.02920	2.2
77.03943	0.8
79.05509	3.2
81.03424	16.0
85.02911	17.6
87.00843	8.0
87.04456	0.7
91.03963	0.8
91.05466	1.3
93.07051	0.6
95.01318	1.1
95.04965	1.1
97.02905	6.2
97.06520	0.7
99.04474	3.6
103.05467	1.3
105.01889	4.4
105.03390	1.8
106.71784	0.6
109.02889	10.0
111.04449	0.8
115.03925	0.6
115.05475	3.0
117.01843	2.6
117.07056	1.1
119.04955	1.6
121.02914	1.0
123.04448	1.6
127.03928	14.6
128.06253	2.2
129.01848	1.2
129.07019	12.4
131.04939	2.5
131.08554	0.7
135.04427	100.0
136.04752	0.8
139.03944	1.0
143.04935	3.6
145.04965	3.5
145.06476	1.6
147.04431	4.0
149.02354	75.1
151.03909	4.4
155.04909	1.4
157.06502	10.6
159.02895	5.7
159.04388	1.9
159.08099	0.6
160.05222	0.5
161.05995	1.7
163.03923	2.7
171.04440	2.6
173.05988	5.0
175.03986	1.3
175.07590	1.2
177.05475	5.4
183.04405	1.2
185.05983	5.5
186.06651	0.9
187.07567	11.0
189.05493	5.9
189.07005	1.2
191.08569	2.2
201.05489	21.4
203.06996	4.2
203.08430	0.5
207.08005	1.0
213.05553	1.2
217.06580	0.8
219.06465	2.0
219.08334	3.7
231.06587	17.9
233.08104	0.8
235.07559	1.8
242.11786	0.8
247.07668	4.0
249.07343	4.9
259.07587	3.8
262.06339	1.2
263.07010	0.7
265.08636	1.7
275.06903	3.0
277.08661	7.2
280.07358	0.7
281.04434	2.3
282.05206	4.0
287.07132	1.3
290.05756	0.7
293.08099	3.6
302.90063	0.5
305.08127	6.5
307.09695	4.7
309.21466	0.5
317.08145	5.2
320.06775	0.9
323.05469	0.9
323.09149	15.0
335.09131	18.0
337.10828	1.5
341.10297	3.3
353.10214	57.2
354.10376	0.9
355.11740	4.2
359.16238	0.5
371.11258	31.2
391.42468	0.6
618.35461	1.2
619.36200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01877	3.4
55.05275	2.5
55.05518	43.5
57.03441	18.1
57.07073	4.0
59.04994	4.5
65.03928	2.7
67.05511	100.0
69.06799	2.1
69.07080	23.5
70.10074	6.8
71.05003	3.8
71.08638	2.6
79.05499	26.6
81.03448	3.3
81.07063	63.6
83.04982	5.5
83.08624	20.8
85.02916	13.6
85.06544	4.5
87.04465	7.3
88.28198	2.0
91.05488	19.5
93.07051	24.5
95.04949	4.5
95.08617	44.5
97.06528	6.3
97.10178	26.3
98.20789	1.8
99.08099	2.1
104.93671	2.0
105.07053	12.7
107.08606	22.6
109.06505	3.8
109.10164	51.5
111.08109	2.9
111.11656	1.9
117.07035	3.7
119.08602	12.1
121.10152	12.4
123.08089	4.3
123.11723	5.8
125.09639	26.6
131.08585	4.9
133.10149	9.7
133.33609	1.9
135.11682	5.2
137.09637	4.9
143.08521	2.3
143.10718	4.8
145.10141	6.9
147.11717	5.4
149.13246	5.4
155.08659	2.0
155.10713	2.7
156.09314	2.1
157.10124	3.0
159.11705	3.0
161.13258	4.8
163.11220	5.1
165.09062	2.4
171.11676	2.8
173.11786	15.0
175.14841	3.7
181.12164	2.3
189.11261	2.0
197.13275	2.5
199.13327	13.5
201.16524	1.9
209.11679	2.8
221.15387	4.4
227.12776	4.5
229.14381	48.8
245.22545	3.3
259.14868	2.1
263.23669	4.2
301.16464	13.0
337.27405	89.3
365.26675	2.5
461.36111	2.7
479.37396	11.8
479.43243	1.9
482.14215	1.9
491.37531	15.9
556.25818	4.0
563.39325	4.6
616.17511	2.6
616.29321	2.1
616.43506	8.7
639.33521	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	616.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.05514	0.9
65.03928	0.6
66.09828	0.5
66.38089	0.5
67.05520	5.6
69.03403	0.6
69.07057	0.5
70.91748	1.1
70.92094	0.9
71.07381	2.5
72.08168	5.8
79.05501	12.1
81.03424	0.9
81.07073	3.8
87.01161	0.5
91.05493	8.0
93.07050	2.0
95.04978	2.9
96.05779	0.6
103.05482	1.5
105.07046	12.6
106.07828	1.1
107.04961	2.2
107.08616	4.8
115.05419	1.1
117.07047	3.5
119.08585	2.8
128.06299	0.6
129.07001	1.6
130.07803	0.6
131.04962	1.2
131.08577	4.3
133.02899	1.1
133.06493	2.0
133.10126	1.4
135.04430	1.5
135.08069	1.4
139.09929	2.0
142.30768	0.6
143.08627	1.2
145.02884	0.8
145.06496	1.0
145.10143	7.8
146.11018	0.6
146.88687	0.5
147.08032	1.5
147.11684	4.2
153.07002	0.6
155.08575	0.9
159.04430	1.3
161.02332	2.8
161.05995	9.7
163.03970	2.5
163.07518	0.6
173.02368	5.5
173.06058	2.3
173.09650	4.6
175.07588	0.9
175.11177	0.8
180.24609	0.5
187.03929	100.0
189.05614	0.6
199.03975	0.7
199.07671	0.6
201.05511	3.7
205.04993	2.5
211.07509	1.3
213.05510	1.0
213.09082	1.0
215.07109	1.0
221.09555	0.6
225.09102	0.9
239.07048	5.4
241.08667	0.6
241.12346	0.7
244.16980	1.2
246.18524	3.7
249.09084	1.0
251.07126	0.6
253.05515	0.7
253.08507	0.6
267.10144	2.1
309.14645	0.6
317.11728	0.6
335.12711	2.9
352.72430	0.7
380.22253	9.1
406.20172	40.8
407.20093	0.6
424.21249	34.2
552.54541	0.6
580.25342	1.2
598.26514	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.05515	1.9
56.05027	0.8
65.03933	1.5
67.05506	13.0
68.02644	0.4
69.03419	0.8
70.06564	0.8
70.91787	0.5
70.92092	0.5
71.07380	3.6
72.08161	11.7
78.04720	0.4
79.05498	20.4
80.06262	0.6
81.03416	1.9
81.07057	3.1
83.04987	0.5
89.03912	0.5
91.05482	8.1
93.07037	1.5
95.04974	2.0
95.08610	1.1
96.04491	0.9
103.05451	2.1
105.03399	0.5
105.04526	0.4
105.07040	15.8
107.04964	2.1
107.05598	0.4
107.08601	15.4
109.06498	1.0
115.05470	0.8
116.06362	0.5
117.07031	3.8
117.54824	0.4
119.04961	0.4
119.06025	0.4
119.08546	2.2
121.06532	0.6
122.31430	0.4
124.07562	1.1
128.06236	0.8
129.06993	1.2
130.07791	1.0
131.04945	1.0
131.08578	3.4
133.02855	1.3
133.06512	2.4
133.10120	2.0
135.04413	2.2
135.66342	0.4
137.06033	0.4
139.09920	5.0
143.08557	0.7
145.02820	0.8
145.06480	1.6
145.10118	4.8
146.10870	0.5
147.04416	1.1
147.08060	1.3
147.11740	2.3
150.12675	0.4
152.10664	0.5
153.06949	0.5
155.08565	1.0
157.06445	0.4
159.04428	1.9
161.02362	3.4
161.05988	11.7
163.03909	3.1
163.07607	2.5
165.07027	0.9
167.08566	0.6
173.02332	4.3
173.06020	1.6
173.09677	3.5
174.10381	0.7
175.03906	0.6
175.07613	0.8
175.11176	1.5
177.05484	0.7
179.03362	0.7
179.08601	0.6
181.06508	0.5
183.08049	0.7
185.06009	0.8
187.03914	100.0
188.04301	0.5
189.05449	1.9
189.09114	1.3
191.03435	1.0
195.08156	0.5
197.06053	1.3
197.09636	0.7
198.06703	1.0
199.03822	0.5
199.07510	1.1
200.04596	0.6
201.05476	4.6
205.04973	2.4
206.15469	1.7
207.08031	0.7
209.05896	0.6
211.07645	2.0
212.08273	0.4
213.05443	1.6
213.09097	1.3
215.07019	0.7
215.10732	0.7
218.05788	1.2
219.06474	1.0
221.09583	0.5
223.11235	0.7
225.09065	1.4
239.07024	5.0
239.10704	1.0
241.04971	1.1
241.08606	0.6
241.12193	2.4
244.17023	1.1
246.18553	11.7
249.09123	1.4
255.06580	0.5
258.11209	0.7
267.10172	4.8
285.11075	0.6
307.13269	0.5
309.14819	1.2
332.79324	0.5
335.12747	3.5
337.14398	0.5
380.22192	16.3
388.19476	0.5
406.20145	42.4
407.20416	0.9
424.21201	57.5
425.21399	0.8
580.25867	2.6
598.26489	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01862	1.5
55.05523	7.2
56.15583	1.2
64.61366	1.2
65.03932	4.9
66.59836	1.1
67.05511	18.2
69.03436	2.1
70.06606	2.0
71.07381	3.5
71.27628	1.1
72.08160	34.6
77.03922	1.3
79.05062	2.1
79.05495	25.1
81.03416	3.8
81.07059	3.7
83.04977	2.9
91.05485	16.6
93.07060	9.3
95.04976	5.5
95.08634	1.8
98.06039	1.8
103.05456	3.6
105.07015	7.0
107.04966	5.9
107.08591	6.0
111.04433	2.4
115.05460	5.4
117.06999	6.2
119.04977	1.2
119.08597	2.7
121.02902	1.6
121.06486	4.1
123.04444	2.2
128.06187	2.2
129.07028	14.2
131.04941	2.5
131.08534	2.3
133.06503	4.2
135.08032	2.8
139.09952	4.8
141.06970	3.0
143.04878	2.1
143.08585	1.9
145.06499	11.4
145.10101	2.5
147.04460	3.3
153.06970	5.6
155.08589	2.3
157.06503	20.6
159.04427	1.6
159.08049	2.8
161.05960	6.4
165.07060	7.6
166.07700	1.7
167.08533	3.9
168.84453	1.3
169.06561	6.0
171.04433	2.0
171.08043	1.7
173.05984	8.1
173.09712	1.3
174.06798	5.3
175.03969	6.0
175.07576	5.3
178.07747	3.6
179.08545	6.4
181.06500	5.4
181.10106	1.3
183.08104	3.4
185.06001	2.5
187.03955	7.1
187.07564	14.2
189.05489	9.1
191.08574	1.9
193.06488	5.1
193.10066	7.9
195.08072	6.9
197.05974	9.1
199.04036	1.5
199.07574	3.5
201.05479	30.7
203.08603	2.9
205.10043	1.9
206.07266	3.5
206.15424	8.7
207.08075	5.3
208.09009	1.6
209.09732	1.7
210.06871	1.5
211.07547	16.8
212.08258	1.7
213.05446	13.6
213.09091	3.8
214.06311	2.0
215.06995	9.6
219.08093	1.8
219.11641	2.0
221.06030	8.8
221.09532	8.4
223.07603	4.5
224.08313	2.8
225.09068	7.4
226.06294	2.7
227.07019	17.9
227.10683	3.0
228.09378	2.7
229.08588	2.2
231.08134	2.1
232.08928	2.2
233.09567	3.9
233.13327	3.0
234.06776	2.6
234.14920	3.4
235.07500	2.6
237.09048	2.8
238.10066	1.2
239.07008	19.2
239.10664	5.1
240.07779	2.4
241.08618	14.8
241.12207	2.8
243.11699	3.9
245.09608	1.5
246.10504	1.8
246.18420	3.4
247.11325	3.3
249.09084	8.5
250.09927	1.6
251.07039	6.7
251.10760	2.9
252.07784	1.9
253.08472	3.3
256.08820	3.2
261.09613	1.1
261.12762	6.6
263.06784	1.5
264.11459	2.8
265.08585	5.2
265.12228	3.2
267.06921	2.2
267.10144	15.9
271.11197	8.4
274.09802	2.1
275.10632	3.1
279.10526	1.4
279.13818	7.5
281.85535	1.7
289.12201	11.9
293.11713	5.0
298.61215	1.2
299.10770	7.8
302.09503	1.8
307.13278	13.6
309.15082	1.9
317.11755	19.9
334.14590	1.8
335.12787	23.6
380.22382	9.0
388.19089	6.2
406.20166	87.2
424.21216	100.0
580.25269	3.4
598.26501	61.6
599.27045	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45464	0.7
53.03944	2.5
53.15401	0.7
55.01870	2.8
55.05518	5.7
56.05036	1.7
56.67699	0.8
65.03963	4.9
65.75246	0.7
67.05512	42.8
68.02647	1.2
69.03428	2.9
70.06596	2.7
71.07384	5.5
71.38745	1.9
72.08164	30.2
79.05501	28.5
81.03440	3.8
81.07073	5.0
83.04995	4.6
85.02920	0.9
86.31586	0.7
91.05489	16.7
93.07051	7.5
95.04969	3.5
95.08624	1.6
96.04484	1.9
96.63791	0.8
98.06071	1.7
103.05465	2.8
105.04517	1.1
105.07045	7.7
107.04971	6.2
107.08579	6.3
109.10091	0.8
110.06015	1.2
111.04460	2.3
111.06767	0.8
115.05464	7.4
117.07035	8.9
119.04963	2.0
119.08588	5.0
121.06505	2.1
122.69194	0.7
123.04443	2.1
124.07561	1.3
128.06227	3.0
129.07018	20.6
131.04926	2.6
131.08566	1.7
133.06512	2.9
135.04465	1.0
135.08069	3.3
139.09921	8.5
140.10725	0.9
141.06926	1.0
143.04916	3.5
145.06496	12.8
146.07170	0.9
147.04414	3.5
147.08055	6.6
149.06001	2.1
152.10657	1.6
153.07010	2.0
155.04947	1.3
155.08533	1.6
157.06503	34.6
159.08049	2.1
161.05992	11.4
162.06760	1.4
163.07491	1.3
165.07005	5.1
166.07736	0.8
167.08603	5.1
169.06532	2.7
171.04404	1.4
171.08023	1.1
173.06013	11.0
174.06790	16.6
175.03909	4.9
175.07597	7.6
177.05475	1.1
177.07001	1.3
178.07790	6.6
179.08586	4.9
180.09375	1.8
181.06454	4.0
181.10184	0.9
182.07233	1.0
183.08069	3.4
185.05997	2.0
187.03941	3.1
187.07520	8.1
189.05489	14.8
189.07082	1.5
190.06287	5.5
190.07777	0.9
191.08643	1.4
193.06519	2.7
193.10159	10.7
194.07318	0.9
195.08109	9.9
195.11688	2.3
197.06052	4.4
197.09645	1.6
198.06779	1.9
199.07558	4.3
201.05489	42.1
202.07753	1.7
203.08565	2.6
204.09236	1.0
205.06516	1.2
205.10194	1.2
206.07381	4.6
206.15407	19.8
207.08031	6.5
208.08841	1.9
209.06015	1.5
209.09631	1.6
210.06793	3.0
211.07553	13.5
211.11130	0.9
212.08444	1.2
213.05540	8.4
213.09100	3.1
214.06232	2.9
215.07053	3.6
217.10152	1.4
218.15471	5.0
219.08182	1.7
219.11650	1.3
221.06018	3.1
221.09651	17.4
222.10306	1.3
223.07549	3.6
223.11185	4.2
224.08356	3.0
225.05522	1.7
225.09090	8.7
226.06287	3.2
227.07025	12.2
227.10626	1.5
228.09404	1.5
229.08415	2.0
231.08266	1.4
232.08826	1.2
233.05942	1.5
233.09680	1.7
233.13342	1.7
234.06793	2.9
235.07576	3.4
237.09105	3.3
239.07053	12.7
239.10686	15.3
240.07774	2.1
240.11539	1.1
241.05011	0.9
241.08626	5.1
241.12297	3.5
243.11810	4.3
244.17030	1.2
245.09616	1.4
247.07420	1.5
247.11171	1.6
249.09109	9.3
250.09869	1.5
251.07037	4.6
251.10747	1.7
252.07791	2.5
253.08635	3.6
254.11885	1.9
255.08211	1.0
256.08887	1.3
261.12814	3.5
263.06952	1.3
265.08661	3.5
265.12262	1.9
267.10199	16.3
271.11130	5.2
273.09000	1.5
274.09909	1.5
275.10699	2.3
279.13837	3.1
284.08228	1.0
289.12180	7.4
291.13715	1.2
293.11917	1.8
299.10684	7.1
302.09247	2.8
307.13306	6.8
317.11749	13.5
325.14410	1.3
334.14484	5.6
335.12793	16.2
378.20728	4.0
380.22208	11.5
388.19308	4.6
396.16931	0.9
406.20190	67.6
424.21222	100.0
425.21240	1.8
580.25806	5.4
598.26544	63.1
599.26715	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.3
53.03955	3.8
55.01870	1.7
55.05516	5.0
62.25893	0.6
65.03945	3.6
67.05508	19.6
68.71904	0.7
69.03432	1.4
69.07060	1.3
69.79025	3.8
70.06590	2.6
71.07375	2.4
72.08159	17.7
79.05497	21.5
80.06279	0.8
81.03426	6.3
81.07064	14.4
83.04971	1.7
91.05486	29.7
92.06269	2.1
93.03391	0.8
93.07052	10.7
95.04975	17.5
95.08618	2.5
96.04493	0.8
98.06069	2.2
103.05477	2.6
104.06263	1.3
105.03401	1.0
105.07038	34.3
107.04996	3.5
107.08601	11.8
111.04448	1.3
113.60490	0.7
115.05457	4.1
116.06266	1.6
117.07026	25.0
118.07810	2.3
119.04932	1.7
119.08591	7.1
121.06466	1.3
121.10139	1.0
128.06259	2.2
129.07005	4.4
130.07796	7.4
131.04916	2.4
131.08577	23.4
133.02843	5.0
133.06506	2.5
133.10130	2.1
135.04437	2.6
138.09258	0.8
139.09964	3.6
141.07054	0.8
143.08571	4.5
144.05684	1.2
145.02887	0.7
145.06538	4.6
145.10132	60.0
146.07318	0.7
146.10915	18.4
147.04449	2.7
147.08119	1.6
147.11691	17.8
149.13263	1.7
153.07001	1.3
155.08578	2.7
157.06490	1.4
159.04427	2.1
159.08064	2.4
161.02350	2.6
161.06114	0.6
161.09578	0.8
163.03905	10.3
165.07010	1.4
167.08649	0.8
169.06505	1.6
171.04454	0.9
171.08035	0.9
173.02359	43.5
173.05963	5.9
173.09615	13.0
174.10432	2.6
175.03958	1.0
175.11209	3.3
178.07742	0.8
179.08562	2.3
181.06502	1.9
183.04448	1.4
183.08246	0.9
185.05969	1.9
185.09601	0.7
187.03941	6.9
191.03401	4.0
195.08047	1.3
197.06071	2.1
199.03906	16.6
199.07573	1.2
201.05457	6.9
201.06870	0.6
201.08954	1.4
207.08046	1.9
211.07576	1.8
213.05498	1.5
216.13943	0.7
217.04980	4.5
225.05551	1.6
225.09200	1.3
227.07027	4.0
227.10652	1.4
235.07568	1.4
237.05458	0.9
239.07028	4.3
241.08580	1.9
241.12161	1.0
244.17064	2.2
245.17775	1.9
246.18547	23.4
251.07071	2.7
253.08618	20.2
255.06754	0.9
265.08658	1.1
269.08051	0.7
281.15579	1.4
283.16846	0.7
291.10318	0.9
298.14294	7.4
307.13309	5.3
309.14859	2.6
317.11765	1.4
324.12265	0.9
324.16000	1.0
325.14395	2.1
335.12793	5.3
353.13831	4.9
380.22229	20.1
406.20139	61.8
407.20395	0.9
408.72479	0.9
424.21207	100.0
425.21640	1.6
580.25586	2.3
598.26508	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	616.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14399	0.3
53.03939	1.0
55.01867	0.6
55.05520	1.6
56.05026	0.6
65.03951	0.6
67.05510	5.8
69.03415	0.7
69.86214	0.5
69.86604	0.5
70.06581	0.5
71.07377	2.5
72.08163	8.1
77.03928	0.5
77.18016	0.2
78.04701	0.5
79.05500	13.1
80.06284	0.4
81.03434	1.3
81.07069	4.0
83.04980	0.5
85.02879	0.3
89.03969	0.3
91.05486	9.9
93.07062	3.3
95.04968	3.3
95.08588	0.7
96.04520	0.5
96.05733	0.7
97.06535	0.4
98.06033	0.5
103.05467	1.9
104.06244	0.3
104.96506	0.2
105.03381	0.7
105.04530	0.4
105.07041	12.5
107.04971	2.4
107.08610	6.6
109.06527	0.4
110.06041	0.2
111.04444	0.4
111.06806	0.4
115.05437	1.3
116.06216	0.2
117.03387	0.3
117.07034	5.2
118.07820	0.4
119.04926	0.4
119.08587	3.2
121.06518	0.7
124.07571	0.5
128.06200	0.5
129.07025	1.3
130.07777	1.0
131.04938	1.3
131.08591	5.0
133.02808	1.3
133.06508	2.0
133.10147	1.7
135.04402	1.8
135.08047	0.9
137.06010	0.3
139.09935	2.5
141.06976	0.7
142.07771	0.4
143.08592	0.8
145.02878	0.9
145.06519	1.7
145.10136	8.4
146.10924	1.1
147.04388	1.0
147.08061	1.0
147.11691	6.2
149.13280	0.5
152.10611	0.3
153.06995	0.5
155.08569	1.4
157.06438	0.5
157.10109	0.4
159.04424	1.7
159.08093	0.4
161.02367	2.9
161.05994	9.8
163.03908	3.0
163.07570	0.8
165.07025	0.7
167.08560	0.5
169.06480	0.6
171.04472	0.3
171.08080	0.5
173.02350	5.8
173.05963	1.9
173.09633	4.1
173.24478	0.3
174.10428	1.2
175.03915	0.4
175.07629	0.7
175.11177	1.2
179.03452	0.3
179.08527	0.3
181.06541	0.4
183.08084	0.6
185.06013	0.8
187.03922	100.0
188.04311	0.5
189.01802	0.5
189.05450	0.9
189.09206	0.5
191.03419	0.7
193.06459	0.4
197.05963	1.2
198.06813	0.3
199.03947	1.0
199.07617	0.6
201.05486	4.0
205.04968	3.5
209.06006	0.4
211.07545	1.5
213.05521	1.9
213.09047	0.8
215.07056	1.0
215.10600	0.6
217.04944	0.3
219.06470	0.3
221.05890	0.3
223.07697	0.3
223.11234	0.3
225.09033	0.7
227.07004	0.7
239.07071	5.7
239.10773	0.3
241.08636	0.6
241.12271	0.9
244.14848	0.3
244.16968	1.9
246.18558	5.2
246.87225	0.3
249.09085	0.7
251.07135	0.3
251.10777	0.2
255.06516	0.7
258.11264	0.5
267.10190	1.4
307.13214	0.7
309.14868	0.5
317.11749	0.5
335.12762	3.7
337.14185	0.3
361.09201	0.7
379.90689	0.2
380.22235	10.0
385.25064	0.3
388.19162	0.6
406.20154	39.0
407.20590	0.4
424.21219	34.7
425.21359	0.4
580.25500	7.8
598.26483	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	616.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.05514	2.8
56.05024	1.2
62.30370	0.8
65.03951	1.8
67.05507	11.8
70.06609	1.0
71.07370	3.9
71.17818	1.2
71.18173	1.0
72.08160	14.4
79.05495	20.4
81.03423	2.3
81.07059	3.5
83.04971	0.8
88.75188	0.7
91.05480	9.4
93.07059	3.5
95.04984	2.7
95.08616	1.7
96.04494	1.1
98.06053	0.7
102.19521	0.7
103.05473	2.5
104.69942	0.8
105.03356	0.9
105.07037	17.5
106.07809	2.6
107.04958	2.2
107.08602	15.0
109.06512	1.1
113.73711	0.8
115.05437	1.5
117.07029	4.7
119.08607	3.5
119.74110	0.7
120.08204	0.9
121.06506	0.9
124.85281	0.7
129.06989	1.9
131.08580	3.5
133.02859	1.5
133.06509	2.6
133.10147	2.0
135.04433	2.7
137.05991	0.9
139.09917	6.0
145.06487	1.5
145.10115	4.8
147.04364	1.2
147.08076	1.4
147.11707	3.4
149.13165	0.8
152.10735	1.1
153.06960	1.0
155.08572	1.8
159.04430	1.4
161.02361	3.5
161.05981	11.2
163.03923	2.2
163.07559	1.9
165.07005	1.2
166.61333	1.0
173.02345	5.9
173.06021	1.8
173.09644	3.2
175.07771	0.8
175.11160	1.3
177.05548	1.1
179.03444	1.1
181.06577	1.1
187.03915	100.0
189.05499	2.5
189.09064	0.8
191.03447	1.1
195.08160	1.0
197.06033	1.7
198.06686	1.1
199.07683	0.8
201.05519	4.7
205.04985	2.5
206.15443	1.2
211.07552	2.0
213.05545	2.5
213.09192	1.4
215.07098	1.2
215.10622	1.2
215.12927	0.8
220.08923	0.8
223.11203	1.5
225.05496	1.0
225.09125	1.2
239.07079	5.5
239.10823	0.9
241.12373	2.3
244.17079	2.8
246.18553	12.8
249.09166	1.8
267.10175	4.6
335.12769	3.7
364.76010	0.9
380.22235	15.5
388.19376	1.1
406.20145	43.0
424.21198	54.1
452.71893	0.8
468.16797	0.7
478.96356	0.9
580.25421	9.6
598.17981	1.2
598.26520	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	616.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
53.03944	3.1
55.01863	3.0
55.05516	5.4
56.05031	1.4
56.42229	0.7
58.06606	1.0
65.03951	5.0
67.05512	39.7
68.02636	1.0
69.03433	2.1
69.07066	1.0
70.06593	2.3
70.82521	0.7
70.82854	1.4
71.07379	5.1
72.08160	32.7
76.28474	0.6
77.03960	0.7
79.05499	32.3
81.03428	4.3
81.07066	5.8
83.04997	3.3
85.02933	0.8
90.48445	0.6
91.05489	16.9
91.14177	0.6
93.03407	1.3
93.07051	8.9
95.04962	5.5
95.08647	1.4
96.04519	2.3
98.06088	0.7
103.05445	2.8
105.04511	0.9
105.07040	11.1
107.04955	7.1
107.08605	12.3
109.06562	0.9
110.06046	1.4
110.29678	0.6
111.04474	1.7
115.05456	7.0
117.07043	7.6
119.04964	2.3
119.08601	6.9
121.06532	1.8
121.10143	1.5
123.04444	1.5
124.07590	1.4
127.57717	0.6
128.06244	1.7
129.07024	18.4
131.04936	3.2
131.08582	2.8
133.02914	0.7
133.06480	5.4
133.10158	2.0
135.08084	4.3
137.06013	1.2
138.09177	0.7
139.09924	9.8
140.10689	1.2
141.06993	1.2
143.04947	4.2
143.08589	1.2
145.06494	11.0
145.10106	0.8
146.07253	0.7
147.04396	3.4
147.08057	5.1
147.11690	5.1
149.13315	0.9
152.06259	0.9
153.06984	2.8
155.06071	0.9
155.08583	2.4
157.06506	32.0
157.10144	1.2
159.04483	0.6
159.08102	4.1
160.07497	0.6
161.04808	0.9
161.06003	9.3
163.07625	1.1
165.06985	5.9
166.07823	1.2
167.08568	5.5
169.06532	1.8
169.10097	1.3
171.08041	2.6
173.06012	9.5
173.09641	1.3
174.06779	15.8
175.03926	3.5
175.07570	7.7
175.11130	1.0
177.05544	1.2
177.06955	1.0
178.07764	5.6
179.08577	5.2
180.09360	0.8
181.06482	3.7
181.10188	0.7
182.07323	1.4
183.08067	4.2
183.11674	0.7
185.06068	1.5
187.03966	1.4
187.07556	8.9
189.05492	12.7
190.06281	6.5
190.07831	1.0
191.07100	0.7
191.08499	1.1
193.06528	2.3
193.10155	10.9
194.07115	1.0
195.08076	9.3
195.11794	2.0
196.08966	1.1
197.06007	5.0
197.09660	1.3
198.06779	2.2
199.07550	3.1
201.05486	29.6
202.07837	0.9
203.08640	2.9
204.09413	0.8
205.04892	0.8
205.06580	1.1
205.10149	1.0
206.07237	3.5
206.15422	17.5
207.08093	5.6
208.08881	0.8
209.06020	1.4
209.09697	1.3
210.06700	1.8
211.07562	12.4
211.11249	1.1
212.08395	1.2
213.05508	8.2
213.08926	2.9
214.06291	1.8
215.06987	3.5
217.05037	0.8
217.10045	0.8
218.07466	1.0
218.10941	0.8
218.15381	4.7
219.08060	1.8
219.11703	1.0
221.06261	3.2
221.09630	17.9
223.07565	2.6
223.11139	3.5
224.08362	2.9
225.05515	1.3
225.09125	8.5
226.06223	2.9
227.07080	8.0
227.10707	1.8
228.09392	1.8
229.08476	1.3
229.10442	0.9
231.08116	1.3
232.09007	1.6
233.09628	1.3
233.13284	1.4
234.06818	2.3
234.14865	0.9
235.07576	2.4
236.08316	0.7
237.05467	0.7
237.09161	3.1
239.07056	9.6
239.10686	10.8
240.07848	1.7
241.08606	4.5
241.12352	1.8
243.11748	3.4
244.16962	0.9
245.09657	1.4
245.13451	0.7
246.10513	0.8
246.18544	19.7
247.07562	1.4
247.11214	2.1
248.11874	0.7
249.09148	8.5
250.09924	1.2
251.07031	4.0
251.10834	1.0
252.07906	2.2
253.08475	1.7
254.11745	1.7
256.08932	2.3
261.09326	1.4
261.12744	3.5
263.06897	0.9
263.10773	1.5
263.14362	0.9
264.11475	0.8
264.19559	1.5
265.08661	3.3
265.12213	1.9
267.10190	15.1
271.11176	5.5
274.09970	1.8
275.10660	1.4
279.10837	0.7
279.13785	3.4
281.09641	1.0
287.06860	0.7
289.08786	0.9
289.12241	6.3
291.10410	0.6
291.13681	1.4
293.11691	2.4
299.10800	6.0
302.09421	1.9
307.13232	7.0
309.14963	1.1
317.11755	13.6
334.14432	5.2
335.12805	14.9
338.17642	1.3
368.73413	0.7
378.20651	3.4
380.22253	11.7
388.19183	4.7
406.20169	55.7
407.20505	0.6
424.21219	100.0
425.21231	0.7
509.18085	0.7
529.58765	0.8
570.26947	1.0
580.25488	16.2
598.26489	38.4
616.27722	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	616.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01878	0.3
56.05030	0.3
61.02915	0.2
61.09829	0.2
61.32895	0.2
68.05030	1.0
69.03437	1.1
69.99561	0.9
70.06599	6.0
71.04991	0.2
72.08152	0.4
73.02902	0.2
79.05507	1.3
80.04626	0.3
80.05029	2.8
82.06581	1.6
85.02909	0.9
85.97439	0.2
86.06070	0.2
91.05499	1.0
94.04208	0.2
94.06560	0.4
95.04995	0.3
96.08173	0.2
97.02895	0.5
103.05482	0.3
105.07037	1.0
106.06568	4.3
107.04993	0.3
107.07381	0.3
108.08130	4.7
109.06538	0.7
114.05543	0.8
115.05451	0.7
116.07102	0.5
117.03393	0.3
117.07067	0.4
122.03662	0.8
123.04439	0.4
129.07013	0.5
130.04164	0.3
131.04936	1.0
133.06506	1.3
137.05991	11.8
143.05002	0.3
145.06512	0.8
146.03679	0.4
147.04434	1.3
147.08005	0.3
148.05246	0.4
149.05997	1.7
151.03918	0.5
151.07617	0.2
152.07080	1.6
156.05736	0.2
161.05995	5.3
162.06833	1.0
163.07591	0.4
165.07085	0.2
167.07132	0.6
171.08060	0.8
173.06015	0.5
174.06819	0.3
175.07542	1.0
177.05449	0.5
181.06516	0.4
182.07245	0.3
183.08000	0.3
184.05238	0.3
185.06018	0.6
185.09613	0.3
186.37523	0.2
187.07602	0.7
189.06987	0.4
190.07751	0.3
191.08551	0.9
193.06516	0.2
194.07329	0.4
195.08131	0.3
197.06010	0.3
198.09216	0.3
199.07552	3.1
201.09204	0.2
202.07858	0.6
203.08580	1.8
205.06505	0.4
205.10207	0.4
206.07272	0.4
207.08122	0.3
208.08861	0.2
209.09744	0.2
211.07550	0.2
214.12332	0.2
215.08685	0.8
217.06535	0.6
218.07394	0.8
219.08060	2.7
220.08902	0.7
221.06055	0.4
222.06810	0.5
223.07454	0.3
225.09195	0.5
227.06927	0.2
228.10291	0.3
229.06607	0.3
230.07358	0.5
230.11870	0.4
231.08090	3.4
232.08827	1.2
233.09718	0.7
234.06839	0.6
235.07529	1.3
235.11206	0.6
236.08424	0.5
237.09117	1.1
242.11818	0.2
243.08026	1.0
244.09016	0.4
244.13185	0.2
245.06049	0.5
245.09758	0.4
246.06886	1.0
247.07608	2.8
248.08432	2.4
249.09172	1.8
250.06435	0.2
251.07053	0.5
251.10709	1.6
253.08615	1.2
254.11711	0.4
257.06058	0.8
258.06818	0.6
259.07535	2.5
260.08438	1.1
261.09186	3.2
262.06345	0.4
262.09897	0.9
263.07178	1.1
263.10748	3.2
264.07831	0.4
265.08624	3.0
267.10306	0.4
268.13651	0.2
270.08984	0.3
271.07651	0.7
272.08270	0.4
273.09192	0.8
274.06335	0.8
274.09943	0.3
275.07104	2.2
275.10718	0.9
276.07822	2.3
277.08661	3.9
278.09436	0.9
279.07211	0.2
279.10141	1.1
280.11026	0.3
281.08273	0.4
281.11758	0.3
285.11554	0.4
289.08594	8.0
290.09366	2.1
291.06662	1.2
291.10114	7.4
292.07681	0.4
292.10995	1.7
293.08121	3.9
293.11499	0.5
294.08859	0.9
295.10010	0.3
295.13257	2.5
296.10489	1.4
297.11264	2.2
303.10172	0.8
305.08252	0.5
306.08868	1.9
307.09714	1.7
308.10440	7.1
309.11298	2.1
311.13229	0.6
316.13394	0.2
320.09897	0.2
321.11252	9.3
322.12018	0.7
323.12778	2.1
329.14600	0.4
332.13019	0.3
335.12769	0.5
336.12610	0.4
339.12512	0.7
344.12750	0.3
346.14499	0.3
348.12439	0.7
348.16168	0.3
349.13446	0.6
360.16135	0.3
362.13861	0.8
364.15390	0.4
365.16238	0.3
376.15436	1.0
377.16217	1.6
380.18549	0.4
390.16983	0.7
392.18607	1.7
418.16571	0.2
420.13791	0.2
421.15433	0.6
424.17615	9.4
428.21490	0.3
436.17612	22.8
437.17709	0.3
454.12302	0.4
454.18649	8.4
586.22888	1.8
598.22949	2.3
616.23932	100.0
617.24219	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	616.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83961	0.3
64.46399	0.3
65.03905	0.3
68.05026	1.0
69.03433	1.0
69.76474	1.5
70.06599	6.6
74.76186	0.4
79.05488	1.1
80.05022	2.8
81.03426	0.4
81.07011	0.3
82.06581	1.5
85.02921	0.7
91.05499	0.5
94.04153	0.3
96.08097	0.4
96.92059	0.3
97.02898	0.5
103.05477	0.4
105.07039	1.2
106.06566	4.7
107.04935	0.3
108.08135	4.7
109.06532	0.7
115.05425	0.4
116.07144	0.7
117.07034	0.4
122.03689	0.8
123.04469	0.4
127.27682	0.3
131.04980	1.0
133.06514	1.3
137.05981	12.4
143.04962	0.5
145.06491	0.5
146.03685	0.4
147.04446	1.0
148.05200	0.4
149.05984	1.3
152.07098	1.6
161.05986	5.2
162.06769	1.1
163.07562	0.5
165.07088	0.4
168.05690	0.4
171.08096	0.9
173.05983	0.6
175.07623	0.9
182.07413	0.4
187.07576	0.8
190.07776	0.4
190.47090	0.3
191.08575	0.8
199.07556	2.8
202.07864	0.5
203.08615	2.1
207.08040	0.5
210.06747	0.4
211.07724	0.5
215.08572	0.8
218.07330	0.8
219.08061	2.2
220.08887	0.8
221.06100	0.6
221.09628	0.3
222.06885	0.3
225.09113	0.7
229.06526	0.6
230.07344	0.5
231.08066	3.6
232.08916	0.6
233.09630	0.7
234.06737	0.4
235.07585	1.5
236.08224	0.3
237.09200	1.1
243.08145	0.9
245.05962	0.7
246.06856	1.0
247.07578	3.0
248.08382	2.2
249.09090	1.8
251.06839	0.4
251.10707	1.9
253.08682	1.0
256.13251	0.3
257.06171	0.7
258.06891	0.8
259.07599	3.0
260.08313	1.5
261.09155	3.5
262.09955	0.5
263.07156	1.1
263.10660	3.1
264.07846	0.6
265.08594	2.6
267.10162	0.5
271.07513	0.6
273.09229	1.0
274.06348	0.4
275.07126	1.8
275.10397	0.7
276.07904	1.8
277.08612	4.8
278.09439	0.9
279.07419	0.3
279.10248	1.2
280.10822	0.4
289.08624	8.4
290.09393	2.0
291.06729	0.9
291.10159	7.4
292.07678	0.3
292.11035	1.2
293.08127	3.5
293.11575	0.5
294.08765	1.0
295.10028	0.6
295.13260	3.1
296.10550	1.2
297.11182	2.5
303.10190	1.0
305.08118	0.5
305.11594	0.4
306.08868	2.5
307.09662	1.9
308.10449	7.1
309.11230	2.1
311.12967	0.6
321.11191	10.0
322.11749	0.5
323.12866	2.2
339.12341	0.4
346.14249	0.4
348.12308	0.7
360.16150	0.6
362.13980	1.0
364.15137	0.7
376.15564	1.0
377.16315	1.4
390.17041	0.7
392.18558	2.1
421.15286	0.6
424.17633	9.7
436.17587	24.6
454.18646	7.3
586.23218	1.2
598.23212	2.3
616.23932	100.0
617.24438	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	14.8
55.06917	7.5
57.07072	14.8
67.05505	25.2
69.07066	49.1
69.45644	60.5
79.05477	22.0
81.07066	95.0
83.03753	7.5
83.08617	21.4
91.05476	19.8
93.07050	28.9
95.08632	90.8
103.05489	10.7
105.07034	19.8
107.08613	19.3
109.10179	51.3
115.05453	9.6
119.08589	18.8
121.10139	22.2
122.46978	8.9
123.11717	50.8
129.06990	10.9
131.04962	18.5
131.08545	10.1
135.11676	17.1
137.06018	55.9
137.13289	48.4
141.07016	13.9
147.11711	9.7
149.13228	15.7
151.07574	19.4
154.13011	8.2
157.06537	10.1
159.07979	18.6
163.07533	20.2
163.14783	12.5
175.07555	32.0
176.51170	9.5
177.09135	12.2
189.09148	25.3
191.10677	27.4
192.44824	8.1
201.09111	33.9
211.07561	9.4
213.09070	10.1
217.12202	7.9
219.10197	28.4
239.06796	8.5
241.08754	9.8
249.25124	8.0
267.10052	10.2
269.15128	8.9
271.09460	12.9
273.25778	12.9
277.12222	9.0
280.11264	9.0
283.09879	13.2
284.10425	25.8
287.20071	8.9
297.11234	19.8
301.37137	7.7
309.11188	12.4
309.14529	9.9
319.12988	8.5
322.11816	8.8
337.14264	17.5
346.68097	8.8
355.15433	100.0
369.16705	9.6
473.26880	15.8
491.27817	18.7
533.32245	10.2
542.33826	22.9
569.35889	11.6
597.39380	95.9
600.96460	10.0
615.40820	54.4
638.20020	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	615.3871
Annotation	Synaptolepis factor K1
Peak:m/z	Relative Intensity
53.03954	0.7
55.05517	3.4
57.03440	1.3
57.07056	0.9
59.05016	0.6
67.05511	6.8
68.05827	0.6
68.06273	0.5
69.03427	0.7
69.07061	2.1
69.92538	2.4
71.08662	0.6
71.68674	0.7
79.05498	3.6
81.03430	0.8
81.07070	4.6
82.07394	0.9
83.08623	1.8
85.02872	0.9
87.03922	0.5
87.04478	1.0
89.06046	11.0
90.06385	1.2
91.05486	2.5
93.07056	3.1
93.39237	0.6
95.08620	3.6
97.06560	0.6
97.10178	1.5
105.07043	2.8
107.08597	2.5
109.10162	2.7
111.08103	0.7
111.80769	0.5
117.07008	0.7
119.08598	2.1
121.10155	2.3
123.08051	0.6
123.11697	0.9
125.05937	0.5
125.09682	1.6
129.07031	0.7
131.07135	0.6
131.08575	1.4
133.08627	6.1
133.10152	2.3
134.08981	1.2
135.08034	0.9
135.11710	1.2
137.09650	0.9
143.08586	0.8
145.10147	1.2
151.07578	0.8
157.10175	1.2
159.11757	0.9
163.11217	1.1
165.09160	1.0
167.10748	0.9
177.11249	2.2
178.11586	0.9
181.12251	0.9
197.13281	0.6
199.13376	0.7
221.15488	1.3
229.14384	1.6
230.14659	0.7
262.22504	0.6
335.25888	1.6
336.26154	3.7
415.25635	1.4
416.25812	1.7
463.26904	0.7
486.23508	0.6
490.36115	1.1
610.61731	0.6
615.38708	100.0
616.39166	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86872	1.3
52.86246	1.6
53.03952	4.9
55.01873	2.7
55.05310	1.5
55.05521	19.2
57.03440	14.8
57.07078	4.3
65.03930	2.0
67.05515	48.2
69.03435	2.7
69.07079	20.6
69.21473	13.3
71.04979	3.3
71.08637	1.5
79.05506	22.0
81.03428	74.1
81.07065	48.2
83.04998	4.9
83.08627	22.4
85.06553	3.1
87.58849	1.3
89.06028	4.5
91.05499	20.2
93.07054	22.8
95.04976	19.1
95.08620	37.3
97.02892	1.7
97.06549	5.5
97.10181	6.9
98.20704	2.7
105.07044	16.4
107.04969	2.5
107.08611	14.3
109.06555	4.0
109.10172	15.4
111.08088	6.8
113.09679	1.5
115.05455	2.7
117.07043	3.3
119.08599	17.9
121.06519	2.8
121.10168	11.8
123.08076	3.4
123.11749	6.7
125.09653	4.1
127.36658	1.4
129.07028	6.2
131.08565	10.4
133.08604	2.0
133.10152	11.9
135.11740	3.5
137.13290	2.4
142.07779	2.2
143.08569	2.1
145.10146	5.5
147.08017	1.8
147.11711	8.1
149.09651	4.6
151.14680	1.9
157.10135	9.0
160.42551	1.4
161.09615	1.6
161.13329	2.2
163.11252	2.9
163.14813	1.6
165.12766	1.8
173.13266	1.5
175.11172	6.8
175.14876	2.6
181.10205	2.0
181.12109	1.9
193.12233	18.8
227.12686	2.2
249.14908	3.1
263.23779	4.6
267.15945	100.0
337.27405	82.8
352.24118	2.8
421.25739	1.7
437.33997	2.7
455.35046	5.8
459.03387	1.5
473.36636	2.3
529.38940	68.0
547.40033	27.3
561.41449	2.6
565.69324	1.6
614.30334	3.6
614.39349	4.7
614.48523	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	614.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.8
55.01883	4.5
55.05521	33.0
57.03445	25.7
63.88039	3.4
65.03957	6.1
67.05513	100.0
69.03437	4.8
69.07056	12.0
71.04975	4.9
71.08631	6.0
71.52629	4.6
79.05496	48.9
81.03432	9.2
81.07064	58.9
83.04956	5.8
83.08630	14.7
85.02920	19.4
87.04475	13.5
88.56830	3.8
89.06038	43.0
91.05481	29.3
93.07050	42.1
95.04955	4.4
95.08615	42.5
97.10208	18.8
105.07061	23.6
107.05032	6.2
107.08604	35.0
109.06526	4.8
109.10175	50.6
116.27843	4.0
117.07018	6.4
119.08575	17.4
121.10150	24.1
123.11684	4.7
125.09636	19.8
129.07040	4.3
131.08580	9.5
133.08620	29.9
133.10173	11.8
135.11728	6.6
137.06049	3.8
137.09543	3.8
145.10124	13.9
147.11722	5.0
149.13295	8.4
159.11792	5.2
161.13306	5.4
163.11256	7.7
173.11771	10.6
173.13226	6.3
175.15007	4.4
177.11253	12.1
187.15092	4.0
193.12445	3.6
194.18324	4.9
199.13322	10.5
216.61012	3.9
227.12762	4.4
229.14441	29.1
261.22266	6.4
267.15961	6.3
285.21686	4.9
286.54236	4.1
287.08221	4.2
296.37405	3.8
301.16461	13.7
333.39984	4.0
335.25885	72.5
415.25308	16.1
420.31775	4.2
477.35706	11.8
489.35727	7.7
561.37939	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	614.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
57.07082	5.0
58.06614	2.0
64.17170	0.3
65.03934	0.8
70.06601	14.0
70.64168	0.8
71.08641	2.4
72.08140	0.6
74.19573	0.3
80.06136	0.3
88.07644	18.6
102.09190	13.1
106.40327	0.3
131.04921	0.4
149.02361	36.2
175.03888	0.6
190.91792	0.3
193.04987	44.4
212.23836	0.4
215.76700	0.3
219.06528	1.0
225.05542	1.1
256.26382	38.1
269.04373	1.4
297.03958	2.2
313.07132	2.2
341.06586	8.9
359.07657	5.4
385.09222	43.9
496.16077	0.5
614.33289	100.0
615.33405	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.3
53.87012	1.6
55.01883	2.6
55.05267	2.7
55.05516	33.0
57.03438	13.2
57.07078	7.0
59.05008	3.9
65.03955	1.7
67.05510	73.3
69.07064	17.6
69.47124	1.7
71.04995	2.9
71.08627	5.7
79.05497	33.7
81.03416	3.5
81.07063	47.7
83.04996	1.7
83.08620	12.3
85.02934	10.0
87.04482	13.1
89.06037	100.0
91.05483	17.9
93.07047	29.4
95.04978	4.7
95.08618	30.8
95.09197	3.3
97.06534	3.3
97.10177	18.9
98.21514	5.3
99.10178	1.7
100.62917	1.6
104.81801	1.5
105.04556	1.5
105.07028	14.4
107.08598	21.4
107.43656	1.7
109.06528	1.6
109.10168	37.5
111.08121	3.1
111.14808	1.9
117.07042	4.7
117.40266	1.7
119.08610	15.4
121.10149	15.4
125.09650	18.7
130.08667	3.4
131.08598	6.9
133.08617	67.8
133.10185	5.0
135.11725	6.0
137.09616	2.6
143.08633	1.7
143.10614	2.0
145.10130	5.6
147.11717	4.2
149.13272	3.4
155.10687	3.5
157.10242	2.0
159.11716	4.8
161.13232	3.1
163.11253	2.7
173.11763	8.6
173.13185	3.0
177.11215	25.7
199.13269	10.4
221.13814	3.8
227.12817	5.9
229.14368	30.2
239.14909	3.0
242.55421	1.9
243.21196	2.6
261.21988	8.2
283.17667	2.7
301.16519	10.4
309.19241	2.3
317.24637	2.8
327.20190	4.7
335.25815	57.5
371.22815	4.9
415.25403	40.5
445.51965	1.8
453.96146	2.3
456.26767	1.8
474.36957	2.0
477.35669	9.4
489.35791	7.5
561.37744	3.7
614.38770	2.6
614.48364	6.0
615.39050	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	613.4836
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02376	1.2
53.03949	1.9
55.01883	1.5
55.05518	12.0
57.03430	2.9
57.07066	3.3
60.99835	0.9
67.05184	1.8
67.05513	25.5
69.07072	10.9
69.35505	2.3
69.35902	6.4
71.04987	0.9
71.08626	3.0
76.98858	0.9
79.05502	13.9
81.03423	1.0
81.07066	25.6
83.08625	5.5
84.44092	1.0
91.05487	14.7
92.28581	0.9
93.07048	16.0
95.08612	16.7
97.06538	1.8
97.10159	4.3
99.08109	1.0
104.11290	0.9
105.04558	0.9
105.07044	15.4
107.08607	7.7
109.10178	7.9
111.08087	1.9
114.40343	1.0
117.07032	7.5
119.08584	18.5
121.10148	6.9
123.08047	1.6
123.11734	2.7
125.09672	1.7
129.07025	5.2
131.08575	14.9
133.10149	9.0
135.11713	4.2
137.13310	1.3
141.06998	1.4
143.08565	8.2
145.10149	16.2
147.11719	4.3
149.09648	1.0
149.13235	2.0
155.08603	2.7
157.10126	7.7
159.11685	5.3
161.13278	5.2
163.14877	1.8
167.08611	1.2
169.10182	3.8
171.11699	5.1
173.13304	4.1
175.14844	3.7
181.10175	1.8
183.11726	1.9
185.13298	4.3
187.14828	6.6
189.16455	1.7
192.59016	1.0
195.11824	1.2
197.13283	3.7
199.14888	4.6
201.16412	3.7
209.13174	1.6
211.14897	2.2
213.16440	3.4
215.17982	2.9
217.19569	1.4
223.14873	2.1
225.16486	2.1
227.18040	1.6
231.21179	1.6
241.19627	1.2
277.21756	1.0
296.67010	1.1
473.72864	1.1
515.37762	1.6
521.43719	9.7
523.33765	1.3
539.44788	4.6
577.46100	1.6
595.46887	9.0
613.48303	100.0
614.48840	2.1
630.49176	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80821	0.6
53.03952	2.3
55.01880	1.0
55.05277	0.8
55.05521	12.7
57.03442	3.6
57.07072	2.5
65.03944	2.1
66.62882	0.6
67.05513	34.3
69.06728	1.0
69.07077	11.6
71.05010	1.7
71.08646	1.8
71.44837	0.7
77.03899	0.6
79.05504	19.8
79.05962	1.0
81.07065	39.7
83.04992	1.3
83.08632	9.0
85.06542	0.9
91.05496	14.3
93.07053	24.6
95.04994	1.5
95.08617	30.9
97.06551	2.2
97.10177	2.7
99.08099	1.3
105.04510	1.0
105.07042	16.8
105.07695	1.2
105.11827	0.7
107.08610	15.1
109.06521	1.4
109.10168	15.7
111.08138	1.5
115.05515	0.7
116.59824	0.7
117.07046	6.0
119.08599	17.1
121.10161	12.2
123.08125	0.8
123.11706	6.8
125.09687	0.9
126.11305	0.6
129.07025	2.7
130.07790	0.7
131.08594	12.3
133.10152	14.9
133.11110	1.2
135.11702	8.7
137.05994	6.3
137.13287	2.3
141.07094	0.9
143.08614	2.8
145.10144	11.3
147.11696	10.9
149.09691	1.2
149.13277	6.1
151.14853	1.0
155.08592	1.5
157.10129	4.1
159.11702	7.8
161.09639	1.1
161.13306	5.6
163.14827	3.0
169.10141	0.9
171.11699	4.1
173.13275	7.8
175.14854	5.5
177.16451	1.7
179.14317	0.7
183.11801	0.8
185.13329	2.5
187.14812	4.2
189.16454	1.1
191.14436	0.8
197.13231	1.6
199.14937	2.0
201.16464	2.0
203.17986	1.7
209.13383	0.8
211.14951	0.8
213.16447	1.9
215.18021	1.5
217.19577	0.9
225.16516	0.9
227.18141	1.1
228.65536	0.7
231.17421	0.8
231.21216	0.8
241.19606	2.3
243.21222	1.3
247.20605	0.9
249.18465	0.8
259.20609	4.6
261.22189	6.7
263.23724	0.9
273.22186	1.2
275.20105	0.8
277.18088	4.7
277.21756	1.8
287.23822	1.0
300.97498	0.7
309.24384	0.8
313.25394	1.0
315.23318	1.0
315.26764	0.8
317.24991	1.0
331.26147	0.7
333.24243	5.2
335.25806	11.0
337.27499	4.8
349.27814	0.6
373.27548	0.6
383.33380	0.8
489.35696	1.1
503.37381	1.8
517.39227	1.2
521.43835	3.1
529.39343	1.2
531.40393	0.9
539.44611	1.9
543.40790	1.5
595.47394	9.8
613.48370	100.0
614.48645	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4831
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03944	2.9
55.05267	1.1
55.05517	13.0
57.03437	2.9
57.07067	2.6
58.42129	0.7
65.03926	1.1
67.05510	43.7
69.03423	0.7
69.07079	15.7
70.77620	2.0
71.04994	1.3
71.08624	1.0
79.05499	21.7
81.07063	43.0
83.04990	1.4
83.08626	7.4
85.06557	1.3
91.05491	17.3
93.07050	28.2
95.04993	1.6
95.08612	35.1
97.06537	2.4
97.10182	3.6
99.08083	1.3
105.04541	0.7
105.07035	19.2
107.08601	18.7
109.10169	17.3
111.08076	1.5
115.05481	1.0
117.07031	7.4
119.08597	17.7
121.10149	16.7
123.11720	7.1
125.09703	0.7
128.06285	1.0
129.06975	3.5
131.08585	13.5
133.10138	14.6
135.08038	0.9
135.11700	11.4
137.13275	3.2
143.08542	5.0
144.09402	0.7
144.20084	0.6
145.10135	14.4
147.11687	13.0
149.13263	6.3
151.14862	1.1
153.12741	0.9
155.08589	1.7
157.10141	5.8
159.11713	13.4
161.13261	8.4
163.11230	1.0
163.14859	3.6
169.10187	2.0
171.11681	4.8
173.13251	9.8
175.14818	6.1
177.16371	1.4
179.14404	0.9
183.11742	2.3
185.13300	3.9
187.14818	6.5
189.16418	2.4
191.17923	0.9
195.11772	1.0
197.13382	1.3
199.14894	1.7
201.16417	2.4
203.18050	1.7
205.15900	0.7
211.14912	0.9
213.16486	1.3
215.18004	1.7
215.61739	0.7
217.19504	1.6
225.16495	0.8
227.18140	1.5
229.19588	1.3
231.21190	1.4
232.53975	0.8
241.19576	2.4
243.21136	1.8
247.20660	0.8
259.20578	6.0
261.22202	7.7
263.23737	1.0
275.23746	1.0
282.04398	0.8
285.22250	1.0
291.23154	0.9
299.24084	0.9
301.25165	0.9
317.24979	1.6
333.24301	5.1
333.28015	1.1
335.25793	12.0
337.27402	6.3
341.28632	0.8
348.81247	0.8
355.30038	0.9
368.51016	0.8
369.31842	1.1
415.32205	0.8
489.36044	1.5
503.37256	2.1
521.43591	4.7
529.38776	1.8
539.44501	3.2
543.40417	1.9
557.44696	0.9
595.47125	11.0
613.48297	100.0
614.48706	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.483
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03948	2.4
55.01875	1.3
55.05267	1.1
55.05516	14.0
57.03440	4.1
57.07082	3.0
60.93006	0.6
62.58618	0.6
65.03941	1.7
67.05510	42.9
69.03419	0.6
69.07073	15.7
70.35939	1.1
71.04996	1.1
71.48334	0.5
78.04706	0.6
79.05501	25.5
81.07064	47.2
83.04997	1.4
83.08627	8.7
85.06548	2.0
89.58559	0.5
91.05489	20.3
93.07050	29.9
95.04980	1.9
95.08614	38.7
95.53062	0.6
97.06530	2.2
97.10172	4.3
98.51105	0.6
99.08065	1.5
105.04514	1.1
105.07041	22.8
107.07874	1.1
107.08600	18.9
109.06519	0.8
109.10165	19.4
111.08087	1.2
111.11696	0.8
115.05531	0.8
117.07032	7.4
119.08591	19.7
121.10150	16.4
121.11032	0.8
123.11701	8.5
125.09660	1.3
129.07051	3.3
131.08575	16.1
133.10138	16.0
133.11101	1.0
135.11697	10.8
137.09613	0.9
137.13251	3.2
139.11218	0.8
141.07010	0.8
142.07780	1.0
143.08557	4.9
145.10130	15.5
147.11702	12.6
149.09557	0.7
149.13266	5.9
151.11205	0.9
151.14821	1.1
155.08591	1.9
157.10143	5.5
158.10866	1.1
159.11714	11.1
161.13261	8.7
163.14813	3.5
169.10147	1.9
171.11697	4.6
173.13260	9.0
175.14845	4.2
177.12851	0.9
177.16449	1.1
181.10141	1.0
183.11737	1.9
184.69336	0.6
185.13272	4.4
187.14819	5.7
189.16435	2.7
191.18019	1.3
197.13333	1.1
199.14874	2.3
201.16364	3.1
203.18001	1.4
211.14876	1.3
213.16490	2.1
215.18010	1.7
217.19612	1.6
229.19600	1.5
231.21272	1.4
232.60202	0.6
233.18910	0.6
241.19762	2.9
243.21146	2.3
245.22734	0.7
247.20567	0.8
259.20572	7.1
261.22162	8.6
263.23645	0.7
273.22137	0.8
277.21555	1.3
281.21252	1.0
285.22351	1.3
299.23672	0.8
301.25241	0.8
303.22971	0.6
313.25418	0.7
317.24875	1.5
321.24222	1.2
323.25714	0.8
327.27008	0.9
333.24207	4.7
335.25809	14.0
337.27390	8.0
339.27042	0.7
347.25787	0.8
489.35870	1.6
503.37433	1.8
517.38873	1.0
521.43622	4.7
529.39105	0.8
531.40594	1.2
539.44409	3.2
543.40356	2.3
571.43311	1.1
595.47321	12.0
595.56738	0.5
613.48291	100.0
614.48645	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01981	0.7
53.03955	1.3
55.05516	1.3
65.03938	1.3
65.35704	0.7
67.05495	1.6
69.03425	1.9
69.20113	5.5
69.20516	1.7
69.62682	0.9
79.05486	1.3
81.03426	4.0
81.07049	3.5
83.04974	0.7
85.02895	1.7
91.05483	9.2
92.05820	0.7
93.07052	1.8
95.08620	1.2
97.02911	1.0
97.55132	0.7
99.04455	1.4
103.05484	1.1
105.07034	1.4
106.51427	0.7
107.04957	3.0
107.08588	2.2
109.02891	2.9
109.06523	1.1
109.10150	0.9
119.04949	20.6
121.06495	1.3
125.05992	3.0
127.03901	2.5
131.04889	0.9
133.06514	1.7
133.10165	1.0
135.04445	2.0
137.06006	8.2
145.06483	2.1
147.04424	100.0
151.02933	0.8
151.03957	6.7
151.07603	0.9
153.05461	1.6
159.04391	0.9
163.03922	68.8
165.05516	4.7
165.09111	0.8
167.07063	5.1
173.05984	1.6
174.14166	0.8
175.07570	1.0
177.05557	1.8
179.09294	0.8
181.04959	13.4
191.07108	1.8
195.06544	2.2
207.06541	1.2
233.08038	0.9
287.05981	1.0
287.09146	29.6
291.08725	5.2
305.10275	4.8
309.07233	1.6
309.10181	1.4
387.14731	1.2
423.91766	0.9
613.35010	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	613.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
58.06590	4.1
65.03947	4.3
67.05508	5.6
69.03411	3.5
69.07088	3.0
69.38640	20.6
69.86812	2.9
78.04694	2.8
79.05497	11.2
80.73537	2.4
81.03422	18.9
81.07032	4.1
84.08129	2.8
85.02927	5.5
91.05486	12.2
93.07011	3.7
95.04967	3.1
95.15997	2.9
96.49126	2.6
102.04728	3.0
103.05483	16.4
105.07056	14.1
107.04963	16.8
107.08610	3.6
109.06522	3.5
111.05331	2.7
115.05443	8.0
117.07034	8.2
119.04964	5.6
119.08617	2.8
121.06506	4.3
122.03594	4.6
123.04437	10.6
124.05279	3.7
125.06007	3.5
129.07048	4.0
130.04143	3.5
131.04919	27.2
132.05713	11.1
133.02863	4.7
133.06532	13.2
135.04459	6.0
137.05974	46.7
141.70972	2.7
144.05731	3.6
145.06461	13.7
146.03673	2.9
147.04424	6.5
148.05222	6.9
149.05971	9.3
149.09621	3.4
151.03897	39.7
151.04996	4.2
151.07559	6.3
152.04753	3.1
153.05414	7.6
154.06329	4.4
155.06030	4.3
156.05760	3.3
157.06546	3.6
159.04437	3.3
160.05208	7.8
161.05992	22.5
163.03954	5.0
163.07582	15.2
165.05470	12.2
167.07059	100.0
173.06024	17.9
175.07565	6.2
177.05515	14.0
179.07004	6.8
180.07816	11.1
181.04967	32.1
181.06389	4.4
181.08632	7.8
182.09373	15.1
187.07553	5.5
189.05476	4.4
190.06268	11.4
191.07050	65.9
192.07848	26.0
193.08580	14.5
195.06490	4.2
203.07014	8.7
205.08636	26.0
207.06555	8.2
208.05209	9.1
208.07146	2.9
209.08174	8.4
210.08881	27.2
217.08611	14.4
219.08110	5.7
219.10081	4.5
225.05484	4.3
225.07489	6.6
227.07118	3.9
235.07558	4.2
235.09679	7.3
238.06145	4.9
243.06693	3.1
247.07481	5.0
247.09775	5.4
254.05762	4.1
263.06793	4.1
263.09213	5.4
264.07809	4.5
265.08252	3.1
269.08115	8.3
271.06097	5.9
272.06635	3.6
274.14252	5.6
277.08719	2.9
281.08182	3.5
286.08301	10.6
287.09186	5.1
290.09372	2.9
297.07779	3.4
299.09125	5.2
307.09616	4.7
309.07721	4.0
314.07834	6.7
315.08661	47.7
325.10760	6.2
327.12274	6.3
331.11838	6.0
335.09091	3.6
337.10663	3.1
339.12253	9.2
343.11868	4.1
351.12183	4.7
355.11694	12.1
357.13480	7.0
367.11691	10.1
369.13272	3.0
385.13086	16.2
387.14481	16.2
419.70364	2.8
506.15518	12.7
507.16705	3.3
524.16644	28.5
537.17999	2.9
555.25208	2.9
563.18927	3.6
577.20367	7.9
595.21472	10.7
613.33356	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	613.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.6
55.01873	3.4
57.03431	1.1
61.02913	0.8
65.03941	2.8
67.05497	1.2
68.99797	6.5
69.03441	0.6
70.06591	1.6
71.52193	0.7
73.02924	0.6
79.05502	0.8
79.69035	0.5
81.03418	2.0
83.01322	0.6
84.08155	0.6
85.02117	0.5
85.02910	5.1
86.09726	0.6
91.05479	2.0
93.03380	2.5
95.01298	0.9
95.04977	1.9
97.02896	4.5
105.03383	0.8
105.07017	0.8
107.04967	2.6
109.02889	2.6
111.04448	2.3
111.92314	0.5
116.07078	0.8
119.04951	2.7
120.08099	1.0
121.02875	100.0
123.04459	2.9
131.04953	1.0
133.06461	1.2
135.00806	0.5
135.04393	2.9
137.05997	1.2
139.03929	2.0
145.02835	0.7
145.04976	1.0
145.06477	1.0
147.04431	4.0
149.02341	1.7
149.05997	1.5
151.03917	3.2
153.01862	1.8
157.06487	0.7
159.04453	1.4
161.02350	0.7
161.05977	2.3
163.03915	20.3
165.01852	4.1
165.05525	0.5
165.07076	0.6
171.04446	1.5
173.02383	1.2
173.05977	1.8
175.03908	5.2
177.01830	3.6
177.05444	3.1
177.42325	0.5
179.03426	1.4
181.04962	2.4
183.02927	1.2
185.06000	1.4
187.03897	3.8
189.01842	3.9
189.05458	2.9
191.03412	3.8
193.04997	1.7
195.02924	6.2
197.06096	0.7
199.03909	0.7
201.01860	1.7
201.05428	3.4
203.03394	4.2
203.07062	1.1
205.04994	6.8
207.02910	8.4
209.04434	0.6
213.05493	1.6
215.03465	3.8
217.04956	6.7
219.02902	9.3
221.04457	1.3
223.02316	0.5
223.06001	1.6
225.04012	2.2
227.03456	1.0
227.07056	0.7
229.04971	5.1
231.02922	7.7
231.06566	1.2
233.04567	2.1
235.06006	2.3
237.03923	2.6
239.03430	0.7
241.04982	2.6
243.02954	5.5
243.06618	1.7
245.04514	1.7
247.05992	4.6
249.03914	2.9
255.03024	2.3
255.06551	1.3
257.04489	3.2
259.02713	0.5
259.03207	0.6
259.06039	5.3
261.03946	13.3
265.07086	2.2
267.06378	0.7
269.04529	1.3
271.06046	5.1
273.03955	6.2
275.05441	1.3
277.07101	1.8
279.05096	1.6
281.04346	0.5
283.03079	0.7
283.05853	3.0
285.03970	7.3
285.07214	0.9
289.07141	1.3
291.04932	4.7
294.05246	1.6
295.05927	8.2
297.03860	1.7
299.05591	1.9
301.07108	2.3
303.05005	4.2
307.05948	5.0
308.06955	0.8
309.06516	0.6
311.05417	0.6
313.06958	3.1
315.05118	1.5
319.08240	1.2
321.06128	2.7
325.07068	8.4
327.04883	4.8
331.07974	1.7
335.08994	1.1
337.06894	5.8
339.07300	10.0
343.08109	1.2
345.06100	3.6
347.09259	0.9
349.06949	4.1
351.08774	0.7
355.08188	3.8
357.05692	1.0
361.07556	1.8
363.07092	4.9
365.10403	0.7
367.08279	1.9
369.05939	0.7
373.09247	0.9
375.07309	1.6
379.07968	7.0
381.29312	0.5
387.07559	1.5
391.08173	4.9
393.08185	5.4
397.09305	2.0
403.08173	1.8
405.08215	5.9
409.09198	7.4
415.10165	0.8
421.09387	4.3
423.09164	6.9
427.10205	4.1
428.26801	0.6
433.09149	3.4
439.10214	5.2
441.10294	9.2
445.11264	4.3
451.11392	0.9
457.11392	17.2
463.10464	2.8
475.12378	6.9
481.11456	6.2
487.10553	0.8
493.11282	3.5
499.12207	3.6
505.11270	2.1
511.12448	9.7
523.12158	4.7
541.13300	4.9
559.14465	4.6
577.15735	2.7
595.16443	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24921	1.1
53.44784	1.1
55.01859	3.0
55.12747	1.0
55.25165	1.3
65.03937	2.6
68.99796	7.0
69.03445	1.5
69.79240	2.0
69.79642	4.3
70.06600	3.9
81.03419	3.3
84.04493	1.4
85.02914	6.9
86.09679	1.5
86.85451	1.1
91.05476	1.2
93.07056	1.1
97.02885	5.4
98.21442	1.5
107.04958	4.1
109.02880	2.8
110.07188	1.5
116.07108	7.8
118.71928	1.3
119.04936	4.2
120.08109	6.4
121.02879	100.0
123.04415	3.7
127.03932	2.0
135.04398	3.0
137.05968	1.9
139.03877	1.7
145.05049	1.6
145.06374	1.4
147.04425	3.8
151.03896	5.3
153.01805	2.9
159.04407	1.7
161.06010	2.5
163.03931	24.0
165.01886	4.6
173.05954	2.8
175.03931	4.1
177.01833	4.6
177.05469	2.5
179.03342	1.2
181.04970	3.0
187.03889	3.7
189.01868	3.9
189.05475	2.1
191.03441	3.1
195.02919	8.3
201.01633	1.3
201.05460	3.8
203.03429	3.3
205.05014	7.1
207.02898	9.5
213.05493	2.1
215.03394	3.3
217.04999	6.6
219.02878	10.2
223.06059	2.4
225.03873	2.9
229.04996	5.8
231.02902	8.5
231.06598	2.0
233.04451	3.1
235.05997	2.5
237.03902	3.4
241.04942	2.5
243.02916	5.3
243.06596	1.5
247.06062	3.5
249.03955	3.8
257.04434	1.9
259.05893	6.1
261.03937	14.1
263.14001	6.5
265.06973	2.0
267.03043	1.2
269.04504	1.9
271.05978	3.9
273.03931	6.4
273.06857	1.7
277.07132	2.6
283.05966	4.9
285.04007	7.5
287.05374	1.3
291.04907	5.5
295.05939	7.2
297.03604	1.5
299.05496	4.4
300.05820	3.8
301.06458	4.5
303.05060	4.6
307.05942	3.6
313.07016	5.1
315.05136	2.7
319.08127	1.6
321.06204	2.9
325.07144	8.2
327.04974	5.2
329.06592	3.4
330.06992	2.4
331.07181	6.2
337.06946	6.8
339.07486	10.7
343.08112	2.4
345.06070	3.5
349.07144	4.3
353.06448	1.2
355.07919	5.1
361.07019	2.4
363.07181	5.5
367.07925	1.6
375.07043	2.7
379.07977	7.8
391.08237	3.8
393.08102	5.2
397.08804	3.8
405.08188	4.0
409.09360	5.7
415.09833	2.4
421.09085	4.3
423.09064	6.9
427.10104	5.3
433.09570	5.6
439.10181	4.6
441.10422	10.8
445.10770	3.6
451.11765	2.5
457.11429	17.1
463.10254	5.1
471.82648	1.3
475.12305	6.0
481.11111	5.6
493.11609	5.1
499.12076	2.9
511.12503	9.0
523.12244	4.7
541.13788	6.0
547.13281	1.4
559.14075	5.2
577.15747	2.8
595.16028	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	612.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30478	1.5
53.03936	6.2
55.01869	3.7
55.05515	24.4
57.03444	18.5
57.07074	2.9
65.03936	2.5
67.05511	64.8
69.03443	3.7
69.07072	18.4
69.56084	3.8
69.56489	9.9
71.04990	5.5
79.05497	43.3
81.03424	79.8
81.07063	58.0
83.04975	7.1
83.08633	17.3
85.06524	3.7
91.05485	35.7
93.07050	55.5
95.04979	26.5
95.08614	42.1
97.02898	2.5
97.06535	4.0
97.10197	8.3
99.08117	2.4
105.07050	28.5
107.04939	5.9
107.08608	27.8
109.06531	4.0
109.10174	18.6
111.08087	7.2
113.84376	1.8
117.07038	8.7
119.08595	24.0
121.06503	5.7
121.10148	24.6
123.08110	3.0
123.11731	4.0
125.09636	4.7
129.07030	9.2
131.08601	21.5
133.06523	5.2
133.10153	13.2
135.08125	2.0
135.11697	15.0
137.13286	3.0
142.07750	2.1
143.08559	3.7
145.10147	10.4
147.08083	4.3
147.11737	13.5
147.90759	1.9
149.09621	7.1
149.13251	7.7
155.08516	2.2
157.10089	8.7
159.11697	6.1
161.13234	5.8
163.14838	2.3
165.12862	3.2
169.10135	2.9
171.11592	2.2
173.13261	6.5
175.11208	5.1
179.14401	2.2
185.13216	2.5
187.14877	2.1
189.11226	3.4
193.12299	18.7
199.14813	2.5
201.16389	2.0
211.13400	2.8
227.12822	6.2
243.21129	7.3
245.95450	2.1
249.14738	2.5
261.22110	22.0
267.15933	100.0
301.25345	5.4
317.24942	3.5
335.25809	86.3
339.96472	2.0
370.43182	2.0
435.32599	5.1
436.21832	3.1
450.19250	1.9
453.33517	7.8
465.21445	2.5
471.34845	5.8
509.36011	2.5
522.32745	3.7
524.26123	2.6
527.37372	50.1
545.38507	26.3
552.25842	12.1
612.27905	47.9
612.47223	17.9
612.57184	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	611.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01875	0.9
55.05264	0.9
55.05515	12.0
57.03453	3.5
57.07084	4.3
59.43240	0.7
65.03954	1.3
67.05508	22.1
69.07072	11.3
69.27553	5.1
70.06578	0.5
71.04985	1.0
71.08628	2.0
79.05499	14.8
79.05968	0.7
81.07061	22.8
83.04968	1.4
83.08627	7.7
85.06547	1.1
91.05479	12.9
91.06017	0.8
93.07049	17.6
95.04981	0.9
95.08614	17.9
97.06541	1.8
97.10171	3.4
98.75836	0.5
99.08166	0.8
105.07043	14.4
107.04949	0.8
107.08600	10.7
109.06528	1.3
109.10169	7.7
111.08069	0.8
111.11787	0.5
115.05469	1.1
117.07034	9.6
119.08591	12.8
121.10159	6.9
123.08096	0.8
123.11757	1.3
125.09639	1.7
128.06233	1.7
129.07030	7.7
131.08578	16.6
131.09531	1.0
133.10139	9.3
135.11687	4.0
141.06999	3.4
142.07797	1.8
143.08571	11.7
144.09343	0.8
145.10129	12.2
147.11705	5.6
149.13226	2.5
155.08575	6.5
156.09372	1.0
157.10150	10.4
159.11710	8.5
161.13316	3.8
163.07658	0.5
163.14851	1.3
165.07001	0.7
167.08513	2.6
168.09399	0.6
169.10133	8.3
170.10934	0.6
171.11700	8.5
173.13264	6.2
175.14879	2.3
177.16461	0.8
179.08585	0.9
179.14343	0.7
181.10103	3.4
182.10965	1.0
183.11676	6.4
185.13278	6.2
187.14783	3.8
189.16385	1.3
191.17989	0.9
193.10080	0.9
195.11682	3.2
197.13278	5.3
199.11163	0.6
199.14853	3.9
201.16423	2.1
203.18004	1.1
205.19427	0.9
207.11720	1.4
209.13254	2.8
211.14833	3.2
213.16422	4.0
215.18004	2.4
217.19620	0.8
219.17604	0.6
221.13342	1.3
223.14841	2.4
225.16446	3.5
227.18155	3.0
229.19560	2.4
235.14900	0.8
237.16512	1.5
239.17969	2.3
241.19778	1.1
243.21121	1.5
247.16949	0.6
249.16377	0.9
251.18021	1.1
253.19589	1.3
255.21198	1.3
257.19196	0.9
257.49771	0.6
261.22208	0.9
265.19614	0.7
267.21234	1.1
269.22702	1.0
275.20148	0.7
281.22687	0.9
283.24188	0.7
285.22180	0.6
297.22226	1.1
309.22217	1.0
311.23529	0.9
313.25079	0.7
325.25333	0.7
327.23459	0.9
353.28607	0.6
367.30225	1.1
407.33093	0.6
409.30829	0.6
435.32187	0.9
437.34113	0.7
449.34070	1.0
475.34354	0.7
501.41388	1.1
513.35791	0.9
519.42084	7.3
523.37866	0.7
527.37408	0.7
537.43384	4.3
541.38776	1.4
575.44550	1.0
593.45673	10.0
611.46759	100.0
612.46844	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01871	1.1
55.05518	15.3
57.03443	5.4
57.07072	3.2
59.05008	0.8
59.23614	0.9
62.31285	0.9
64.70117	0.7
65.03938	2.8
67.05511	39.5
69.07075	14.7
71.04979	1.2
71.08636	0.9
77.03900	1.1
79.05499	30.8
81.03442	2.1
81.07064	42.5
83.04984	2.0
83.08619	8.5
85.06553	2.3
90.78716	0.9
91.04910	1.4
91.05484	33.8
93.07050	42.4
94.07389	2.1
95.04979	4.0
95.08617	34.8
95.39197	0.9
97.06528	3.6
97.10174	3.0
99.08098	1.5
105.04533	1.8
105.07039	29.9
107.07887	1.2
107.08607	22.0
108.08885	0.9
109.06567	1.0
109.10165	17.0
111.08098	1.5
111.11744	1.1
115.05453	1.6
117.07032	12.5
119.08598	25.1
120.08936	0.8
121.10160	17.7
123.08065	1.1
123.11719	5.4
125.09643	1.8
128.06190	1.8
129.07025	8.4
131.08572	18.8
133.10144	18.7
135.11696	14.0
136.12065	1.3
137.13271	2.1
141.07001	1.8
142.07802	2.1
143.08568	11.7
145.10141	19.4
147.08043	1.3
147.11699	15.1
149.09621	1.1
149.13287	7.3
153.06958	1.0
155.08559	4.8
156.09393	0.9
157.10152	11.6
159.11699	17.5
161.13263	10.8
163.14835	2.6
165.12735	0.8
167.08606	1.6
168.98309	0.7
169.10156	6.1
171.11719	10.0
173.13297	10.7
175.14827	6.7
181.10219	2.4
183.11710	6.5
185.13257	8.8
187.14853	6.0
189.16376	1.3
195.11714	2.7
197.13286	5.0
199.14886	5.8
201.16402	2.6
203.14362	1.1
209.13277	1.7
211.14870	3.5
213.16507	4.2
213.40678	0.8
215.18033	2.5
217.15898	0.8
217.19553	1.2
223.14803	1.1
225.16464	1.4
227.17992	2.4
229.19586	1.3
231.21152	1.7
237.16479	1.0
239.17934	1.7
241.19588	8.2
243.21243	2.0
248.94879	0.8
255.21022	1.3
257.19101	3.5
259.20590	15.5
261.22125	4.5
267.15872	0.9
275.19952	1.2
276.20169	0.8
277.21616	1.0
285.22302	1.3
297.21939	1.1
299.23703	1.2
311.23755	1.0
315.23080	1.4
333.24261	10.5
335.25824	23.5
353.28372	1.0
356.07355	1.3
379.26782	0.9
409.31265	1.1
487.24982	0.8
487.33176	1.0
501.41144	1.0
519.42017	6.5
521.32654	2.0
527.37079	1.0
533.24731	1.6
537.43658	4.5
541.39478	1.4
575.44342	1.0
593.26587	1.5
593.45862	8.7
611.29010	7.4
611.46729	100.0
612.46985	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45113	1.3
53.03959	3.9
54.58434	1.4
55.05517	13.8
56.73861	1.4
57.03435	5.1
57.07078	3.2
60.11819	1.5
64.28615	1.4
65.03934	1.8
66.24723	1.9
67.05510	40.6
69.07080	15.5
71.05000	2.8
72.11127	1.7
74.09723	13.6
75.10048	2.0
79.05500	29.7
81.07065	35.5
83.04977	2.0
83.08627	6.3
91.05489	25.1
93.07052	32.6
95.08618	24.5
97.06535	2.8
97.10175	3.6
105.04445	1.6
105.07038	27.0
107.08607	15.0
109.10155	13.6
117.07025	12.5
119.08582	25.1
121.10149	13.5
123.11694	4.7
125.09635	2.4
128.06218	2.1
129.07004	8.7
129.85791	1.5
131.08589	18.4
133.10147	19.9
135.11725	10.2
141.06996	2.7
142.07808	1.9
143.08594	10.7
145.10118	15.0
145.34586	1.5
147.11700	15.9
149.13280	7.5
151.14828	1.8
155.08549	2.2
157.10126	11.4
159.11708	16.6
161.13275	11.2
167.08597	2.9
169.10173	6.2
171.11646	8.9
173.13255	10.3
175.14850	7.5
181.10042	1.7
183.11719	4.9
185.13248	8.1
187.14874	3.6
195.11714	2.2
197.13354	2.0
199.14873	5.7
201.16364	3.2
211.14922	2.1
213.16490	2.8
215.18024	2.4
219.17308	1.4
225.37532	1.5
227.18019	2.3
229.19626	2.3
229.50537	2.3
231.21169	2.1
239.18027	2.6
241.19606	8.2
243.21033	2.1
257.18961	3.3
259.20639	19.6
261.22241	4.8
275.20135	2.0
315.23499	2.3
333.24228	10.6
335.25806	19.1
337.27359	3.2
339.26901	2.1
519.42169	5.2
537.43109	4.4
593.45966	7.3
611.46753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
54.80215	1.0
55.05520	5.0
57.07077	7.3
58.70020	1.1
58.93115	1.1
59.82693	0.8
65.03933	1.3
67.05221	1.1
67.05513	10.7
69.03431	3.4
69.07076	5.8
69.77552	5.2
70.82901	1.0
71.05000	1.5
71.08639	6.2
73.45274	1.0
79.05502	9.8
81.03421	6.6
81.07063	19.0
83.08620	3.9
84.83394	1.1
85.02898	4.7
85.10190	2.8
91.05476	8.7
93.07049	13.5
95.04920	1.2
95.08620	20.8
97.02895	3.4
97.10150	1.4
98.20862	2.1
99.08097	4.5
105.07034	16.1
107.08609	12.8
109.02888	3.5
109.10172	5.0
113.09665	1.4
117.07040	3.2
119.08594	43.4
121.10144	3.3
123.11719	4.4
127.03933	6.1
131.08588	3.3
133.10149	56.1
135.11703	12.2
137.09595	1.4
143.08499	1.6
145.04915	1.5
145.10115	3.4
147.11739	5.0
149.13213	1.4
151.14766	1.2
159.11711	2.2
161.13289	2.0
173.13269	1.6
174.33125	1.1
175.14844	100.0
179.14391	3.4
193.15892	7.3
194.79431	1.0
205.42480	0.9
211.16896	5.0
239.23798	5.9
247.24995	1.1
259.20459	1.3
277.21640	3.1
366.77753	1.1
383.27853	3.8
401.28918	4.6
447.80804	1.2
611.46869	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	611.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	0.6
63.29945	0.3
69.62650	1.2
69.63061	1.1
74.02471	0.6
77.03978	0.3
91.05504	0.4
105.07001	0.4
115.05472	0.4
117.07034	1.2
118.06555	14.4
130.06560	1.5
131.08540	0.5
132.08104	4.6
139.06009	0.3
141.05434	0.5
142.06546	1.3
143.07309	1.4
144.08096	11.0
145.02913	0.4
146.06023	56.8
147.06398	0.7
159.09201	5.5
160.07582	0.5
163.03905	0.9
170.06036	3.8
187.10455	0.4
188.07082	100.0
189.07445	1.3
200.73740	0.4
205.09744	54.5
206.10077	0.6
209.11729	0.8
236.70145	0.4
287.05527	2.5
303.05005	1.3
305.10736	0.4
410.74460	0.4
431.14273	0.4
464.49200	0.4
507.70682	0.4
634.88013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2866
Annotation	Humilinolide C
Peak:m/z	Relative Intensity
58.12891	0.5
62.67528	0.4
67.05500	1.1
68.27869	0.4
69.07065	0.6
70.06586	0.8
70.65131	0.5
71.04996	0.5
71.52162	0.8
71.52556	0.6
81.07063	1.3
83.05009	0.6
93.07072	0.9
95.08623	0.9
97.19238	0.5
105.07073	0.5
107.08616	0.7
109.10146	0.6
121.10159	0.6
133.10133	0.6
136.35715	0.5
197.10873	0.5
265.86255	0.5
303.05139	0.9
391.19467	1.0
392.20255	1.0
405.17111	1.7
407.22586	3.7
409.20001	0.5
418.17816	1.0
419.17902	2.4
419.23358	0.9
420.19229	1.1
421.20380	2.0
423.21893	0.7
431.18390	0.9
433.20154	8.4
434.21219	2.3
435.17676	1.8
435.22012	3.5
436.18863	1.1
437.23593	2.5
446.21060	1.3
447.21982	2.4
449.19312	4.8
450.20303	3.1
451.21521	2.2
463.20856	2.7
464.22015	6.9
465.22928	6.2
477.23279	2.3
478.23611	0.6
491.24246	1.5
493.21625	0.8
509.21982	1.6
521.25641	5.9
523.23889	1.0
551.26575	27.4
581.27765	0.9
583.29474	0.6
593.27618	0.7
611.28680	100.0
612.29224	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1612
Annotation	Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside
Peak:m/z	Relative Intensity
50.44364	0.8
54.95926	1.0
57.03428	1.7
61.02919	3.4
68.99797	1.2
69.03428	2.2
70.06587	2.7
70.37328	0.8
71.51571	1.5
73.02912	1.5
76.92010	0.9
79.05489	1.3
81.03408	5.8
83.08611	1.4
83.51078	0.9
84.04515	6.5
84.08125	3.0
85.02914	8.1
86.09680	3.2
89.50293	0.8
91.03944	1.0
91.05469	1.4
93.07026	0.8
95.04970	2.0
97.02885	3.7
101.07773	0.7
103.32755	0.9
105.07017	1.0
109.02895	1.2
116.07101	1.0
120.08139	1.0
121.02850	2.0
123.04424	1.4
127.03893	1.7
130.05019	9.3
135.04393	3.6
137.02361	6.9
137.05882	1.2
145.75684	0.8
147.04422	2.0
147.07652	12.8
149.02292	1.6
153.01848	1.9
157.10161	1.1
161.02339	1.8
161.05840	1.0
163.03896	2.5
165.01877	9.0
167.03395	3.1
177.01857	1.9
177.05518	1.0
183.02888	3.6
191.03329	1.0
193.12242	3.2
195.02890	2.1
203.03441	1.5
213.05450	0.9
229.05072	1.4
233.04536	1.1
243.02791	1.3
245.18636	1.8
255.06462	1.2
258.05191	0.9
267.15942	3.3
271.05923	1.9
272.06729	1.3
283.06033	8.3
285.16833	5.2
286.04700	4.6
287.05518	66.7
295.05923	1.4
297.07471	7.3
299.05515	100.0
300.06253	14.0
301.07227	0.9
303.05069	4.6
310.04626	1.0
311.05551	15.7
311.08951	1.9
313.07172	4.7
321.07547	2.3
323.05298	2.4
324.06281	2.9
325.03494	1.7
325.07062	21.8
327.05038	1.4
329.06570	87.6
337.07071	2.7
339.04913	1.4
339.08649	17.0
341.06650	2.6
349.07025	3.7
351.04834	1.3
353.06598	38.1
359.07623	1.1
365.06607	11.1
367.08151	3.8
371.07620	1.1
377.06534	9.1
383.07639	16.1
395.07629	17.3
413.08713	19.8
431.09772	27.4
449.10797	38.4
461.10541	5.4
473.10663	1.3
477.78339	1.0
491.11740	13.5
515.12085	7.9
520.24310	1.0
545.12994	11.5
546.13745	1.0
557.13104	4.3
575.13898	8.0
593.06213	1.4
593.15082	14.3
611.16077	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	611.1615
Annotation	Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside
Peak:m/z	Relative Intensity
50.10577	0.3
53.03962	0.4
55.01875	0.3
57.03448	3.0
61.02925	0.4
68.99797	0.7
69.03445	0.6
70.06577	0.5
70.48798	0.5
70.49120	0.2
71.01401	0.2
71.05003	19.0
73.02923	0.5
75.04465	0.7
81.03439	0.4
83.04991	0.5
85.02917	22.5
87.04488	0.6
93.03436	0.3
97.02896	0.4
109.02918	0.6
111.00798	1.0
111.04492	0.6
119.08595	0.3
121.02886	1.1
123.04463	0.5
127.03971	0.3
129.05492	5.2
137.02356	3.0
147.04402	0.3
147.06541	0.7
149.02362	0.5
151.53508	0.3
153.01848	3.1
163.03905	0.9
165.01842	2.3
167.07092	0.3
173.05928	0.4
183.02872	0.5
187.03969	0.3
195.03035	0.3
201.05548	1.2
213.05360	0.3
219.02936	0.7
229.05037	3.5
247.06017	0.5
253.55162	0.3
257.04456	2.8
258.05173	0.4
266.09949	0.3
274.04825	0.6
275.05551	0.2
285.04010	1.0
287.05511	10.5
299.05557	5.4
300.06409	0.5
301.07050	0.5
302.07593	0.4
303.05020	100.0
304.05353	0.6
311.05603	0.6
311.09088	0.3
313.07166	0.3
317.06549	0.8
325.07172	1.0
329.06580	4.3
339.08694	0.7
345.06180	0.5
353.06552	2.3
377.06534	0.6
383.07739	1.5
395.07632	1.0
413.08728	1.4
431.09982	1.8
448.68533	0.3
449.10611	2.4
465.10364	19.3
633.86505	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1611
Annotation	Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside
Peak:m/z	Relative Intensity
55.01874	1.7
57.03429	1.5
61.02931	1.4
66.92528	0.7
68.99795	1.1
69.03430	5.2
69.24812	2.4
69.25230	3.1
70.06592	1.9
71.05005	1.6
73.02934	1.3
80.91994	0.7
81.03446	3.3
85.02916	12.0
95.52476	0.6
97.02899	4.4
99.04445	1.0
99.91032	0.7
109.02868	1.8
121.02921	1.4
127.03948	1.6
135.04408	2.2
137.02368	5.1
145.05005	1.2
147.04433	0.8
149.02367	2.0
153.01765	0.7
161.02414	1.4
163.03931	1.8
165.01848	9.7
167.03419	3.8
177.01886	1.8
177.05464	1.0
179.03426	1.3
183.02873	2.1
187.03889	0.7
195.02887	2.3
203.03438	0.8
215.03311	0.9
217.05049	0.8
243.02950	0.9
245.04373	0.9
255.06506	1.3
271.06049	0.7
283.06082	8.6
286.04681	3.5
287.05524	14.5
295.06012	1.2
297.07578	7.4
299.05530	80.4
300.06345	11.8
303.05032	7.0
309.07632	0.7
311.05597	10.8
311.08978	1.5
313.03586	1.3
313.07111	2.8
321.07568	2.2
323.05579	2.6
324.06271	1.8
325.03616	1.5
325.07086	21.1
327.04813	0.8
329.06586	100.0
330.07370	0.9
337.07147	2.6
339.08640	12.5
341.06589	1.0
349.07224	3.5
353.06592	41.1
365.06628	9.6
367.08151	2.6
377.06561	8.3
383.07669	24.5
395.07651	16.5
395.12772	0.9
396.07822	0.7
413.08707	20.0
431.09802	35.5
449.10855	51.0
491.11249	0.8
504.77567	0.9
611.16162	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1611
Annotation	Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03921	0.5
55.01868	0.6
57.03416	1.2
58.81237	0.4
61.02914	0.9
68.99796	0.7
69.03403	1.7
69.56507	2.7
70.06584	0.5
71.04971	0.8
81.03401	2.1
85.02910	4.9
95.04955	0.7
97.02856	1.7
98.97554	0.4
107.04978	0.6
109.02856	2.0
119.04934	1.0
121.02882	0.8
127.03909	0.8
134.05032	0.5
135.04401	2.0
137.02342	6.7
141.01825	0.9
145.58505	0.5
146.97784	0.5
147.04344	0.7
149.02301	1.9
161.02361	2.3
161.99146	0.5
163.03873	1.9
165.01848	10.6
167.03401	2.9
177.01807	0.9
179.03418	0.8
183.02893	2.3
187.03920	1.7
189.01787	0.9
191.03378	1.2
195.02893	2.0
203.03345	1.3
205.04906	0.8
215.03328	1.4
217.04994	1.0
229.04956	0.9
231.02596	0.5
233.04527	0.6
243.02895	2.2
245.04395	0.8
255.06592	0.7
258.05161	0.8
259.06073	0.7
261.03949	1.2
271.06055	1.4
272.06830	1.3
273.34579	0.5
283.06064	8.3
286.04721	3.0
287.05499	7.7
295.05850	1.2
297.07544	7.7
299.05511	100.0
300.06287	12.0
301.07294	1.2
303.04977	3.1
307.06244	0.5
308.24167	0.6
309.07520	0.6
310.04742	0.7
311.05499	12.4
311.09146	2.8
313.07083	5.1
321.07462	2.4
323.05530	2.9
324.06265	2.1
325.03564	1.4
325.07050	21.3
327.05060	1.0
329.06564	88.2
330.06891	1.0
337.07059	3.0
339.05377	0.7
339.08652	17.5
341.06631	1.2
349.06973	4.3
351.04880	0.7
353.06567	41.1
359.07538	0.8
365.06570	11.0
367.08191	3.3
377.06561	9.9
383.07635	30.2
395.07648	19.6
395.12875	0.9
413.08673	24.2
431.09775	40.8
432.10010	0.7
449.10834	29.6
491.11856	2.3
515.11902	1.0
545.12933	1.8
575.14282	1.0
593.15161	3.1
611.16193	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	610.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.5
55.01870	1.6
55.05317	1.0
55.05517	12.0
57.03458	2.5
57.07075	2.5
65.03936	3.5
67.05186	1.6
67.05514	28.7
68.05811	1.6
69.03436	9.2
69.07063	8.7
69.26176	12.1
69.42003	1.3
71.04990	1.5
71.08641	1.3
79.05502	32.3
81.03419	13.7
81.07060	32.2
81.63356	1.1
82.07390	1.7
82.94863	1.1
83.04996	4.2
83.08617	3.5
84.70969	1.2
85.02887	7.1
91.05481	42.6
93.07053	100.0
95.04984	8.3
95.08614	24.3
96.08953	2.1
97.02895	5.9
97.06516	5.5
97.10161	1.8
98.21620	1.3
99.04459	2.9
105.04528	2.3
105.07041	25.1
107.04959	3.2
107.08606	97.2
109.02869	3.1
109.06528	3.5
109.10163	11.5
111.04449	2.1
111.08150	1.6
116.62261	1.2
117.07030	7.7
119.06096	2.2
119.08583	15.8
121.06499	1.9
121.10153	12.0
123.08072	1.9
123.11711	4.9
125.09636	1.5
126.76323	1.4
127.03901	5.2
129.07001	5.3
131.08578	10.2
133.10153	10.0
135.08069	2.6
135.11702	50.9
137.09596	2.4
137.13249	2.8
143.08566	5.0
145.10130	11.5
147.11697	8.2
149.09619	2.1
149.13269	3.5
151.11168	1.3
153.12714	2.2
155.08572	2.7
157.10161	4.8
159.11728	10.1
161.13266	3.8
163.11220	1.9
163.14841	1.7
169.10146	2.5
171.11711	5.9
173.13234	7.2
175.14777	1.5
177.12782	1.5
181.12312	1.3
183.11629	3.1
185.13258	2.9
187.14796	1.9
195.11700	2.1
197.13281	2.4
199.14851	2.8
215.14206	1.4
243.20955	1.3
259.20602	1.7
261.22165	4.2
275.20038	3.9
276.20361	2.9
285.22177	1.8
289.21698	2.1
303.23203	3.1
315.23367	1.6
355.06952	2.8
369.24191	4.5
387.25299	5.4
405.26270	4.7
448.17908	1.7
477.22800	2.6
508.29739	1.4
539.37433	1.6
550.25067	2.1
575.29608	1.3
575.39032	2.0
610.27496	19.8
610.45544	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1615
Annotation	Rutine
Peak:m/z	Relative Intensity
50.48516	0.1
53.03951	0.2
55.01872	0.3
55.05502	0.1
56.91410	0.1
57.03448	1.8
58.04623	0.1
61.02932	0.7
68.99811	0.3
69.03441	0.9
70.66393	0.2
70.66719	0.3
71.01346	0.2
71.05001	10.3
73.02921	0.3
73.63696	0.1
75.04456	0.3
78.96353	0.1
81.03419	0.4
83.04980	0.4
85.02916	13.9
87.04469	0.5
93.03397	0.2
95.04992	0.2
97.02898	1.2
99.04456	0.3
103.03927	0.1
109.02876	0.7
111.00806	0.8
111.04435	0.3
120.96758	0.1
121.02872	0.7
123.04436	0.2
127.03906	0.8
127.57381	0.1
129.05501	3.4
129.06963	0.1
137.02345	2.1
137.03305	0.2
145.04997	0.6
147.06554	1.2
149.02307	0.3
153.01843	2.7
155.04950	0.1
161.05986	0.2
163.03949	0.6
165.01852	1.7
166.02678	0.3
173.05991	0.3
179.03433	0.1
183.02960	0.7
183.04337	0.1
187.03983	0.2
191.03423	0.2
195.02960	0.3
201.05478	1.0
202.36874	0.1
205.05055	0.2
213.05524	0.1
219.06601	0.2
229.04996	3.5
239.03404	0.1
247.06021	0.7
257.04480	2.3
274.04770	0.5
275.05411	0.2
280.72638	0.1
285.03958	1.2
303.05017	100.0
304.05304	0.7
317.06671	0.1
344.40042	0.2
465.10141	1.1
624.95447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.05510	6.2
67.05509	3.8
69.03418	2.4
69.07053	6.5
70.06597	3.0
71.53913	3.6
72.07813	3.1
72.08167	44.0
77.44450	2.1
79.05500	12.3
81.03403	4.5
81.07061	29.2
91.05463	7.8
93.07044	7.7
95.04961	6.2
95.08599	7.9
105.07040	14.8
107.04945	6.4
107.08584	4.0
109.10133	3.5
115.05475	2.8
117.06982	3.0
119.08575	5.9
124.05238	2.7
125.14278	2.2
126.20943	2.2
129.07013	4.0
131.08568	3.7
133.06532	3.8
145.10121	7.2
159.08049	4.3
161.06006	4.5
163.69714	2.2
165.06999	3.6
167.07086	18.0
167.41080	2.1
169.10097	2.8
175.11188	5.0
179.08598	5.3
181.04967	3.4
182.07326	2.8
183.11711	2.8
185.09531	3.8
187.07597	3.5
191.07156	2.3
193.08401	2.2
195.08025	3.4
196.08817	4.9
197.09637	3.2
201.12692	2.8
205.08612	6.1
208.08812	4.7
209.09648	5.7
211.07481	4.2
211.11194	4.8
213.09048	4.3
217.08578	2.4
219.09961	3.0
223.11174	2.7
225.09053	3.9
227.10666	5.6
232.53609	2.2
237.09172	5.4
239.10809	4.7
243.10320	3.3
250.09541	2.1
251.10710	9.7
253.12402	2.6
255.10234	2.6
259.13641	6.3
263.10831	2.8
265.12115	4.1
271.13358	4.1
274.78357	2.4
279.14032	2.3
279.17181	2.4
280.67615	2.5
283.13321	4.5
289.14227	4.3
293.15250	3.6
295.13248	3.8
303.14063	2.4
307.17017	3.2
335.16568	6.5
339.19635	5.9
347.16406	2.6
367.19034	8.8
385.19925	3.1
438.26434	6.3
450.26270	3.7
456.27484	100.0
468.27396	17.7
474.28528	12.4
492.91061	2.5
592.39734	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	610.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.05510	6.2
67.05509	3.8
69.03418	2.4
69.07053	6.5
70.06597	3.0
71.53913	3.6
72.07813	3.1
72.08167	44.0
77.44450	2.1
79.05500	12.3
81.03403	4.5
81.07061	29.2
91.05463	7.8
93.07044	7.7
95.04961	6.2
95.08599	7.9
105.07040	14.8
107.04945	6.4
107.08584	4.0
109.10133	3.5
115.05475	2.8
117.06982	3.0
119.08575	5.9
124.05238	2.7
125.14278	2.2
126.20943	2.2
129.07013	4.0
131.08568	3.7
133.06532	3.8
145.10121	7.2
159.08049	4.3
161.06006	4.5
163.69714	2.2
165.06999	3.6
167.07086	18.0
167.41080	2.1
169.10097	2.8
175.11188	5.0
179.08598	5.3
181.04967	3.4
182.07326	2.8
183.11711	2.8
185.09531	3.8
187.07597	3.5
191.07156	2.3
193.08401	2.2
195.08025	3.4
196.08817	4.9
197.09637	3.2
201.12692	2.8
205.08612	6.1
208.08812	4.7
209.09648	5.7
211.07481	4.2
211.11194	4.8
213.09048	4.3
217.08578	2.4
219.09961	3.0
223.11174	2.7
225.09053	3.9
227.10666	5.6
232.53609	2.2
237.09172	5.4
239.10809	4.7
243.10320	3.3
250.09541	2.1
251.10710	9.7
253.12402	2.6
255.10234	2.6
259.13641	6.3
263.10831	2.8
265.12115	4.1
271.13358	4.1
274.78357	2.4
279.14032	2.3
279.17181	2.4
280.67615	2.5
283.13321	4.5
289.14227	4.3
293.15250	3.6
295.13248	3.8
303.14063	2.4
307.17017	3.2
335.16568	6.5
339.19635	5.9
347.16406	2.6
367.19034	8.8
385.19925	3.1
438.26434	6.3
450.26270	3.7
456.27484	100.0
468.27396	17.7
474.28528	12.4
492.91061	2.5
592.39734	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	610.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.27170	0.2
65.03962	0.8
69.03441	0.9
69.38007	1.5
70.06596	0.6
79.05515	0.7
81.03426	3.1
85.02889	1.0
91.05488	6.5
95.05008	0.3
97.02908	0.7
99.04462	0.3
107.04961	2.3
107.05634	0.2
109.02875	1.5
116.07072	0.4
119.04955	17.0
122.02740	0.7
123.04425	0.3
124.03944	0.5
127.03934	0.5
129.91051	0.2
135.04431	0.6
137.06000	0.3
145.02809	0.4
147.04420	100.0
148.04770	0.3
151.03918	5.3
152.41489	0.2
159.04433	1.5
163.03915	49.6
164.04219	0.3
165.05493	4.7
166.03098	0.2
181.04974	22.2
182.05185	0.2
203.03343	0.2
205.04947	0.2
212.03790	1.5
230.04857	0.2
239.06929	0.2
259.06088	0.3
268.06348	0.6
271.05927	0.6
273.07764	0.2
281.08032	0.5
284.05682	1.0
291.08667	3.3
302.06870	1.3
303.05038	0.3
309.07288	15.8
310.07819	0.2
316.21179	0.3
325.09134	0.3
327.08676	2.8
331.07880	0.2
430.11923	1.4
435.10922	0.4
453.11856	3.7
471.12915	6.9
536.89221	0.2
610.15619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.2
55.05509	6.1
67.05507	7.3
70.06596	4.9
71.52714	3.4
72.08162	31.7
79.05495	15.6
81.03436	7.8
81.07055	20.1
83.04992	23.8
91.05459	19.8
93.07057	12.6
95.04987	44.9
97.39103	3.7
103.05502	4.1
105.03428	9.0
105.07048	69.2
111.04453	8.1
117.06998	8.6
119.08620	6.0
121.06555	7.3
121.10143	7.6
129.07007	4.9
131.08568	19.9
133.06519	9.5
133.82143	3.7
135.04437	32.7
139.09906	6.2
145.10143	21.0
147.11694	4.7
149.09660	25.7
157.97203	3.8
167.05457	4.1
167.07024	4.2
173.09669	7.8
182.11786	12.8
244.16994	14.8
262.18063	100.0
267.03421	3.7
280.19034	5.1
285.03818	5.7
293.08282	4.7
299.05511	5.8
301.06876	4.1
315.04883	6.3
316.05710	20.3
328.05759	24.7
329.06546	33.9
331.08234	24.9
343.08231	40.0
355.07321	5.0
402.33109	3.6
403.11057	4.0
407.11465	8.9
420.11789	5.0
435.14517	9.8
458.90958	4.3
475.17401	8.4
485.15732	9.2
503.17038	19.0
574.24329	24.6
592.22070	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	609.452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
53.03948	1.1
55.01871	2.0
55.05513	12.9
57.03424	2.1
57.07077	2.0
63.58884	1.0
65.03947	2.1
67.05178	1.5
67.05512	20.1
69.03409	1.1
69.06777	0.9
69.07078	8.9
70.45985	2.5
79.05499	13.3
81.03429	1.3
81.07062	20.5
83.04987	8.6
83.08620	4.7
85.06582	1.0
91.05488	12.7
93.07047	14.2
95.04982	2.3
95.08612	16.1
97.06522	2.4
97.10179	2.4
99.08137	0.8
105.07042	13.7
107.04983	0.9
107.08608	9.1
109.06518	1.0
109.10160	6.7
111.04420	1.0
111.08097	1.3
113.06006	9.7
115.05448	1.9
117.07040	8.0
119.08601	11.9
121.06566	0.9
121.10162	6.4
123.08063	1.2
123.11741	2.3
125.09650	1.5
128.06239	2.0
129.07014	10.5
131.08560	12.0
133.10144	9.1
135.11688	4.5
137.05959	4.7
138.17210	0.8
141.07027	4.2
142.07869	2.1
143.08577	12.3
145.10118	10.7
147.11717	5.3
149.09590	0.9
149.13297	2.1
151.03925	9.8
151.05057	1.0
154.07718	1.5
155.08572	11.1
156.09288	2.0
157.06494	1.1
157.10124	11.2
159.11711	9.5
161.13297	2.8
165.06918	1.1
166.07814	0.9
167.08557	4.2
168.09386	1.7
169.10146	11.3
170.10869	0.9
171.11711	10.1
173.13249	5.9
175.07550	1.3
175.14870	1.8
179.08578	2.7
181.10130	6.5
183.11720	14.4
185.13269	8.3
187.14833	3.4
193.10184	1.7
195.11693	7.0
196.12283	0.9
197.09657	0.9
197.13300	9.4
199.04160	0.9
199.14854	5.0
201.16483	1.3
207.11761	3.1
209.13254	8.4
211.14812	8.4
213.16431	4.7
220.87144	0.9
221.13297	2.8
223.14923	6.3
225.16386	4.7
227.17996	1.7
233.13362	1.7
235.14906	2.3
237.16406	3.8
239.18063	3.5
241.19643	1.9
249.16394	2.6
251.18068	2.2
253.19568	2.3
255.21074	1.2
263.18085	0.9
265.19592	1.7
267.21170	1.0
273.94708	0.8
277.19797	1.2
279.21246	1.5
285.18628	1.0
297.22119	1.2
307.24115	1.1
323.23871	1.2
331.22842	0.9
351.27026	1.8
353.24680	1.0
363.27081	2.0
379.30179	1.2
389.28357	1.0
393.32114	1.1
407.29932	0.8
439.31586	0.9
447.32053	1.3
465.33530	1.2
499.39554	2.3
517.40491	11.8
535.41608	7.0
549.26392	1.6
573.42932	2.1
591.18433	1.2
591.44141	15.6
609.19287	3.9
609.28796	6.3
609.45184	100.0
610.45288	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	609.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.05521	12.4
57.03436	3.8
57.07073	1.6
65.03928	1.7
67.05508	16.7
69.07074	10.5
72.08194	1.5
73.27046	1.3
79.05500	11.3
81.07066	21.9
83.08646	6.0
91.05475	10.4
93.07044	12.2
95.08617	15.1
97.06526	1.8
97.10179	2.8
105.07047	12.1
107.08626	6.1
109.10165	6.5
111.08134	1.2
117.07024	6.6
119.08590	11.6
121.10149	3.3
123.11742	1.4
125.09687	1.9
128.06223	2.5
129.07024	7.5
131.08588	12.9
133.10106	7.7
135.11731	2.9
141.06982	4.9
142.07780	1.7
143.08542	10.3
145.10132	11.1
147.11708	4.7
149.13274	2.5
153.07005	1.3
155.08595	8.4
157.10158	10.1
159.11713	9.3
161.13301	1.7
167.08595	5.6
168.09375	1.9
169.10147	12.3
171.11694	10.3
173.13263	4.3
179.08624	1.3
181.10121	6.8
183.11743	11.0
185.13304	8.1
187.14851	2.2
193.10144	2.4
195.11734	7.5
197.13278	9.5
199.14870	5.2
207.11787	2.3
209.13319	6.8
211.14899	4.7
213.16461	3.0
215.17821	1.6
219.11748	1.2
221.13388	3.0
223.14905	3.8
225.16455	3.5
227.18005	2.5
235.14742	1.7
237.16402	4.0
239.18031	2.2
241.19603	1.4
251.18039	2.9
297.22134	1.4
323.23718	1.6
337.25504	1.4
384.08295	1.4
434.21619	1.3
451.51526	1.3
488.56934	1.3
499.39139	2.8
517.40570	9.9
535.41327	5.0
591.44061	13.9
609.45160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43022	1.0
53.03943	2.2
55.05517	10.1
57.03431	1.9
57.07084	2.1
65.03941	1.7
66.34779	1.0
67.05511	19.5
69.07084	8.6
69.26949	5.4
69.27377	2.8
70.38432	1.0
71.08620	1.0
79.05507	15.1
81.07066	22.9
83.08614	6.0
91.05491	14.1
93.07050	14.4
95.04974	2.5
95.08620	18.5
97.06547	1.7
97.10192	2.4
97.19157	1.0
98.21610	1.7
98.66107	1.0
105.07045	14.2
107.08630	8.9
109.06493	1.3
109.10168	7.0
115.05484	1.7
115.60378	1.2
117.07021	9.3
119.08587	12.8
121.10173	6.8
123.08041	1.2
123.11707	1.9
125.09638	1.2
128.06277	1.4
129.07024	10.3
131.08583	11.8
133.10130	8.9
135.11739	2.8
139.42625	1.0
141.07022	2.5
142.07881	2.7
143.08583	10.3
145.10143	11.5
147.11719	4.8
149.13237	2.0
155.08575	9.8
157.10149	9.0
159.11719	9.5
161.13281	3.4
167.08600	3.5
169.10173	9.2
171.11679	6.9
173.13307	4.7
179.08624	1.3
181.10127	5.9
183.11702	9.8
185.13295	7.0
187.14880	3.5
193.10222	1.4
195.11710	6.0
196.12569	1.0
197.13255	6.5
199.14862	3.9
207.11801	2.1
209.13252	5.6
211.14891	4.7
213.16452	2.7
221.13307	2.0
223.14792	5.3
225.16441	4.7
227.17984	2.0
235.14857	1.9
237.16383	3.2
239.18103	2.5
251.18088	2.8
253.19760	1.7
267.21323	1.2
275.20212	1.5
279.21136	1.2
306.74490	1.0
309.22168	1.4
321.22238	1.4
337.25427	2.5
339.26871	1.2
351.26886	1.9
363.26770	1.3
367.26358	1.1
393.04041	1.2
393.27261	1.4
429.31500	1.2
447.32584	1.4
499.39548	1.3
517.40448	7.3
535.41547	4.9
549.24707	1.7
591.44220	10.6
609.28485	5.5
609.45209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24959	0.6
55.05501	1.5
65.56049	0.6
67.05512	3.7
69.07071	1.2
69.90340	2.6
78.83491	0.6
79.05480	2.9
81.07061	3.0
91.05476	1.9
93.07034	3.8
95.04914	0.7
95.08604	1.8
105.07011	2.7
107.08587	1.0
109.10142	0.7
111.11701	0.6
119.08595	1.4
121.10180	1.5
129.07007	1.4
131.08565	1.5
133.10118	1.4
135.11670	1.0
142.07738	1.0
145.10062	1.3
155.08533	0.7
159.11638	0.8
160.41556	0.6
169.10062	0.9
171.11731	0.6
175.14914	0.9
175.39250	0.7
275.20050	2.0
328.14096	0.7
376.16916	1.0
377.17429	1.8
379.19467	1.0
390.18491	0.9
391.19348	3.6
392.19785	2.3
393.20602	2.2
404.15863	0.8
405.16489	3.7
405.21240	1.8
406.17596	1.8
407.22592	7.9
418.17645	1.2
419.18460	7.5
420.19290	3.1
421.20129	3.6
433.16028	3.5
433.21274	5.3
434.21353	4.7
435.21762	12.2
447.17386	5.0
448.18820	2.1
449.19638	2.2
461.19629	2.4
462.20483	8.7
463.21301	6.8
475.21414	4.3
476.21912	1.1
479.20663	1.7
488.06711	0.7
489.22934	2.9
492.42511	0.8
493.26193	0.8
507.19492	1.0
521.25818	9.9
542.05182	0.8
549.24988	37.1
577.24493	1.4
581.27521	1.5
609.26642	100.0
609.34161	57.6
609.45538	6.1
610.27039	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	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03947	0.5
54.48915	0.4
55.05514	1.1
56.84837	0.4
59.05017	0.4
60.05484	0.4
67.05516	2.2
69.07081	1.1
69.37033	3.1
72.78944	0.4
79.05513	2.7
81.07065	3.2
83.08637	0.7
91.05495	1.4
92.13951	0.4
93.07041	2.0
95.04977	0.4
95.08615	2.3
105.07040	1.8
107.08615	1.7
109.10171	1.1
117.07034	1.3
119.08605	1.1
121.10126	0.9
129.07063	0.8
131.08586	1.5
133.10133	1.3
135.11745	0.7
139.70145	0.4
145.10135	1.7
147.11765	0.7
159.11707	0.8
169.10175	0.9
171.11720	0.7
173.13312	0.6
235.12312	0.4
257.19046	0.9
275.20172	1.4
331.23096	0.5
335.25903	0.5
350.43066	0.4
377.17517	0.6
391.19199	0.5
402.18948	0.4
403.19446	0.5
405.20959	1.1
406.21759	0.6
414.18759	0.7
415.19400	1.2
416.20523	0.7
417.20822	0.8
418.22052	0.7
419.18253	0.5
419.22974	0.6
428.20200	0.5
429.20819	2.8
430.08414	0.5
430.21738	1.2
431.18253	1.0
432.19528	0.7
433.24136	1.6
434.20895	0.4
435.21680	0.5
441.18259	0.4
443.22888	0.8
444.23044	1.8
445.23840	1.1
447.21893	1.8
449.23383	1.1
459.21405	3.5
460.22818	2.6
461.19467	2.3
461.23938	1.8
462.20233	0.9
471.21591	0.6
472.22629	1.7
473.23499	1.1
474.24670	0.8
475.25690	0.6
476.22198	2.8
477.22791	1.6
485.23499	1.2
487.25125	3.2
489.22836	1.6
503.24796	2.2
507.23669	0.6
519.24146	2.2
521.21411	3.1
531.23981	21.1
532.24640	1.4
549.24988	12.6
563.27002	1.0
581.27283	0.6
591.26154	3.3
609.27124	100.0
609.44885	6.7
610.27393	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2715
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05507	0.7
67.05505	1.3
69.07066	0.7
69.47076	1.1
69.47495	0.7
70.60046	0.2
79.05490	1.4
79.08873	0.3
81.07069	1.5
83.04980	0.6
90.31924	0.2
91.05498	0.6
93.07047	1.3
95.08607	1.1
105.07040	1.2
107.08600	0.7
107.67332	0.3
109.10181	0.6
113.06029	0.4
113.70544	0.3
117.07023	0.6
119.08571	0.4
121.10153	0.5
128.58464	0.3
131.08575	0.8
135.11740	0.3
143.08562	0.3
145.10104	0.7
159.11717	0.4
170.13521	0.3
173.13286	0.3
179.14374	0.3
180.62280	0.3
183.09235	0.4
197.10829	0.3
198.15675	0.3
223.12106	0.3
237.13972	0.4
257.18997	0.3
257.69589	0.3
275.20102	0.8
300.22833	0.3
375.17166	0.3
387.16006	0.4
388.16904	0.3
389.18195	0.5
390.18506	0.4
391.19208	1.0
401.17734	0.4
402.18588	0.6
403.19217	1.3
404.20361	0.5
405.16519	0.3
405.20938	1.5
406.21909	0.7
407.22333	1.1
415.19327	0.8
416.20169	0.9
417.16815	1.0
417.21701	1.3
418.21939	0.5
419.22903	2.8
420.23270	1.0
421.24319	0.3
429.21399	0.6
430.18045	1.0
431.18021	2.5
432.19424	1.2
432.24258	0.4
433.14709	0.5
433.20206	5.8
434.20685	0.6
435.21786	0.7
443.18198	1.3
444.18970	1.8
445.19980	3.8
446.21317	2.9
447.22079	4.4
448.22845	1.5
449.24017	0.4
457.20258	0.4
458.21021	4.6
459.21814	3.9
460.23065	2.9
461.19476	0.7
462.20547	0.5
463.20898	2.5
465.22696	0.4
471.21918	0.3
473.23669	1.0
474.20764	0.5
475.21307	1.2
476.22110	1.0
477.22787	1.9
479.24570	0.4
487.25650	0.6
489.18970	0.6
490.23813	1.1
491.20218	0.4
503.24228	1.1
505.22659	0.6
516.22241	0.4
517.22375	1.2
518.23035	2.7
519.23975	9.1
521.22473	1.5
521.24963	1.5
531.24023	1.7
532.24652	1.0
535.23248	0.5
549.24957	5.7
563.26282	0.6
581.28204	0.3
591.26025	11.4
591.41345	0.4
592.26270	0.4
609.27087	100.0
609.44568	2.5
610.27490	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2711
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
51.46846	0.3
51.71230	0.3
69.16806	3.6
73.30986	0.4
81.07139	0.3
115.56896	0.3
125.13654	0.4
184.35164	0.3
195.09105	0.4
200.08334	0.3
211.12424	0.4
223.12390	0.7
225.13890	0.4
235.57561	0.4
237.13855	0.5
241.19589	0.3
300.14865	0.4
347.55771	0.4
375.16635	0.5
377.17807	1.0
389.18414	0.8
390.18625	1.6
391.19385	1.9
392.20062	1.2
400.17480	0.5
401.17975	0.8
402.18942	0.5
403.19461	1.1
404.20526	1.0
405.20807	3.0
406.21393	1.7
407.22415	3.0
413.17929	0.4
414.18503	0.4
415.19434	2.4
417.21115	0.7
419.22598	1.1
420.23303	0.8
421.23996	3.9
422.24881	0.9
427.19385	1.0
428.19919	0.6
429.20959	2.4
430.22021	1.7
431.18106	0.6
431.23022	0.6
433.20523	1.8
435.21591	0.5
442.21750	0.8
443.22766	0.9
444.22955	1.2
445.20316	1.2
446.21484	0.4
447.17593	2.3
448.18903	0.7
449.23697	1.1
452.22128	0.5
456.19107	0.5
457.24585	2.3
459.21582	2.1
460.23389	1.6
461.19312	5.9
462.20346	2.6
463.21198	1.7
469.24545	0.4
470.21405	0.5
471.17703	0.4
472.22665	1.4
473.18979	0.5
474.20813	1.2
475.21136	7.5
476.21860	6.5
477.22577	4.9
478.23880	0.7
479.24576	1.0
485.23599	9.2
486.20139	3.6
487.25027	1.3
488.22342	0.8
489.22906	4.7
493.22351	0.6
494.27075	0.8
499.21561	2.4
500.22278	1.7
502.23798	0.8
503.24448	5.9
504.21329	0.4
504.25314	0.5
507.23877	1.0
513.23022	1.6
515.24554	8.4
521.26044	3.1
531.23956	15.8
533.25067	0.5
535.23755	0.8
541.22369	0.9
548.24341	0.6
549.25189	2.3
550.25684	4.4
559.23541	7.0
577.24609	1.3
591.12146	0.5
591.26068	28.5
609.27100	100.0
610.27344	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
56.56104	0.3
57.07076	0.6
66.32227	0.4
67.05499	1.3
69.07075	0.6
70.25889	0.9
71.08656	0.4
79.05499	0.7
80.52020	0.3
81.07062	0.8
83.08582	0.3
91.05492	0.6
93.07059	0.7
95.08627	0.8
105.07024	0.7
107.08579	0.6
109.10208	0.6
111.07463	0.3
117.07068	0.3
119.08592	0.7
122.09759	0.3
131.08554	0.3
145.10104	0.6
149.13318	0.3
171.11789	0.5
181.10146	0.5
185.13306	0.3
195.11862	0.4
210.11639	0.3
211.12564	0.3
228.87350	0.4
239.15562	0.4
373.32312	0.4
375.17090	0.4
376.16864	0.5
377.17819	0.6
381.74115	0.4
388.17941	0.4
389.18698	0.8
390.18585	1.0
391.19260	1.6
392.19885	1.1
403.19513	0.6
404.20560	0.7
405.20947	3.2
406.21719	1.5
407.22263	2.8
414.18759	0.5
415.19473	1.6
417.20889	0.9
418.21997	0.7
419.18024	0.6
419.22598	1.2
420.23291	1.0
421.23840	3.8
422.24591	0.7
427.18976	0.4
428.19986	0.5
429.21030	1.8
430.21707	1.1
431.23145	0.5
432.19308	0.8
433.15268	0.5
433.20193	1.7
433.24930	0.7
434.20795	0.4
435.21606	0.6
440.34634	0.4
442.22281	0.4
443.22894	0.5
444.23627	0.8
445.20477	1.6
446.20932	0.5
447.18320	1.6
448.19037	0.7
448.26883	0.4
449.23840	0.6
452.22382	0.6
457.23801	1.1
459.22214	1.6
460.22675	1.3
461.19180	5.0
462.20233	1.6
463.21521	1.1
470.21457	0.6
471.18033	0.6
472.22687	1.0
473.19501	0.7
474.20773	1.3
475.21164	7.6
476.21878	5.1
477.22543	4.2
478.23538	0.5
479.25031	0.6
484.18939	0.6
485.23688	6.0
486.20554	2.4
487.20856	0.5
488.21967	0.8
489.23038	4.5
493.22351	0.5
494.26917	0.5
497.23618	0.9
499.21268	3.1
500.21964	1.2
502.24057	0.5
503.24600	6.8
504.25226	0.6
505.22482	0.7
507.24097	0.9
513.23016	1.4
515.24445	5.2
517.22314	1.9
518.23193	0.7
521.26318	2.7
531.15973	0.5
531.23962	8.4
535.23743	1.1
535.41400	0.4
541.22046	0.5
548.24396	0.6
549.24963	1.6
550.25806	4.4
559.23450	5.7
563.26740	1.2
577.24634	1.9
591.26117	10.3
609.27118	100.0
609.44586	3.8
610.27777	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27145	0.8
63.06520	0.7
69.48514	5.6
70.06593	7.0
84.00019	0.7
84.08147	36.7
101.00898	3.5
119.01913	1.9
130.08694	0.9
143.01895	7.0
145.03523	3.0
152.05569	1.4
155.01932	4.8
156.05080	0.9
157.03464	1.8
161.02977	3.2
167.01912	3.6
168.05136	1.1
169.03531	0.9
170.06644	4.0
172.59502	0.9
173.02972	3.0
179.01839	1.6
180.05077	1.1
185.02971	10.9
188.07709	1.7
197.03017	3.8
198.06126	38.6
199.06244	1.0
203.03975	1.9
210.06145	3.4
212.07690	100.0
213.07912	1.2
215.04051	2.5
216.07179	14.1
224.07697	8.1
227.04027	3.2
228.07224	3.8
230.08757	30.1
240.07178	1.3
242.08754	6.8
245.05093	31.4
248.09956	2.0
249.05600	0.8
254.08801	2.9
257.05185	0.9
258.08221	12.5
263.06158	4.1
266.08792	1.2
272.09802	36.5
275.06195	2.3
276.09290	0.9
288.09323	2.4
290.10983	2.6
292.05746	1.1
300.09232	1.1
302.10886	7.7
305.07141	4.3
314.10849	3.7
318.10416	3.9
332.11887	12.2
335.08017	0.8
348.02658	1.0
360.11432	0.9
365.09317	5.3
374.12967	2.6
411.00485	0.9
480.15598	19.1
494.17154	18.1
609.19427	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01878	5.9
55.05305	1.0
55.05518	11.1
55.09538	1.1
57.90215	1.0
64.81461	1.1
65.03946	2.8
67.05502	4.4
68.99782	2.1
69.03432	9.4
69.82179	5.0
69.82579	2.3
77.32252	1.0
79.05491	8.3
81.03428	13.2
81.07083	5.4
83.04989	89.0
91.05495	12.9
93.03408	1.1
93.07053	2.9
94.04192	2.5
95.04979	8.4
100.54143	1.4
103.05496	5.3
105.03439	1.2
105.07057	5.9
107.04963	7.0
109.02875	2.4
109.06514	3.8
111.04440	20.2
113.06014	65.5
115.05479	9.6
115.42482	1.1
117.07039	5.5
119.04919	5.9
121.02869	2.8
121.06539	5.4
122.03683	6.8
123.04449	8.5
125.02393	1.7
125.05970	1.6
128.06238	3.1
129.07021	6.3
131.04944	10.3
132.05753	1.5
133.06502	6.0
135.04431	7.6
137.02353	4.4
137.05991	100.0
143.04945	6.0
144.05690	1.5
145.02827	1.7
145.06532	6.3
147.04413	4.9
149.05994	5.4
151.03926	31.9
151.05037	3.0
153.05504	3.5
155.03448	1.5
157.06534	4.3
159.04387	7.9
160.05196	6.0
161.06017	9.4
163.03897	1.3
163.07599	4.4
165.05457	5.7
167.03252	1.3
167.07021	1.8
171.04402	2.0
172.05197	2.1
173.05997	8.4
174.06793	2.2
175.03943	3.2
175.07558	20.9
177.05460	3.0
179.07050	1.9
187.03891	3.2
187.07500	7.0
189.05482	7.9
189.09140	7.2
191.07062	3.8
193.04971	5.1
197.06125	1.2
201.05534	4.2
203.07018	1.7
205.08577	8.6
207.06476	2.4
211.07489	1.9
217.04927	3.0
217.08606	2.7
219.06541	4.1
225.05493	1.2
227.06908	2.9
229.04883	3.3
231.06528	4.0
235.05841	5.3
236.06825	3.5
237.07416	2.9
249.07654	3.7
251.07036	1.5
253.08476	2.0
255.06543	3.2
263.07025	2.1
265.08698	1.7
266.07745	6.3
267.06335	1.4
277.08621	2.7
279.10205	2.1
287.05420	2.4
289.08707	1.4
291.10385	2.0
292.06982	1.2
293.08060	3.4
295.09656	3.6
305.08176	1.6
307.09659	4.1
308.10666	1.3
309.07559	1.6
309.10944	1.4
311.09195	2.7
313.10934	1.2
315.05017	2.4
323.09113	2.0
347.08841	1.6
355.11871	6.0
357.09714	2.8
365.10284	1.3
377.10199	1.9
387.11011	2.0
389.12274	2.6
395.11035	2.3
397.12912	1.6
403.10449	1.7
413.12360	1.8
457.15622	1.8
461.12500	1.5
485.15454	1.9
501.15891	1.3
507.12418	1.3
513.15399	2.4
515.16742	3.4
517.18469	11.0
525.15198	1.5
531.16425	2.1
533.17792	3.8
543.16876	5.5
549.17480	1.2
561.17828	10.3
573.17480	5.8
579.18518	9.4
591.18597	8.9
609.10687	2.1
609.19751	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
53.03943	3.5
55.01867	3.2
55.05314	0.9
55.05519	10.2
60.88028	1.1
65.03950	2.8
67.05498	3.8
68.99792	2.4
69.03434	6.8
74.64434	1.1
79.05502	8.5
81.03421	15.5
81.07076	6.2
83.04987	65.5
91.05493	12.5
93.03399	2.6
93.07042	2.8
94.04207	3.0
95.04979	7.0
97.02895	1.3
97.70278	1.1
98.21517	3.4
99.04429	1.3
103.05470	7.9
105.07029	7.1
107.04975	6.3
108.02212	1.1
109.02858	1.2
109.06509	3.9
111.04452	24.1
113.06023	15.9
115.05438	9.2
117.07025	8.0
119.04920	5.4
121.02849	1.5
121.06508	3.3
122.03653	7.4
123.04441	8.4
125.02370	1.4
125.06007	1.4
128.06224	2.2
128.32765	1.1
129.07008	8.5
131.04936	12.9
132.05711	2.3
133.06488	6.9
135.04384	5.8
136.05103	1.3
137.02415	2.7
137.05989	100.0
138.03107	1.9
139.03935	1.5
141.07050	1.2
143.04977	6.7
144.05635	2.2
145.02875	1.7
145.06497	9.0
146.03641	1.8
147.04437	7.0
149.02342	1.8
149.05998	4.5
151.03920	20.4
151.05038	1.8
151.07547	2.4
153.05455	3.8
157.06494	7.1
158.07242	1.2
159.04422	5.5
160.05219	4.9
161.06006	8.7
162.06792	1.5
163.03925	2.5
163.07562	5.1
165.05470	3.5
167.03398	1.6
171.04419	2.7
172.05139	2.5
173.05991	7.9
174.06764	2.9
175.03951	3.6
175.07553	18.0
177.05544	3.7
179.07059	2.3
179.08546	1.2
185.06021	2.2
187.03949	2.8
187.07556	9.3
189.05464	7.8
189.07510	1.7
189.09122	14.7
191.07072	3.7
191.08598	1.6
193.05008	2.3
201.05499	4.2
203.07022	3.2
205.04922	1.9
205.08604	6.4
207.08200	1.3
207.10272	1.3
215.07101	1.2
217.04961	3.9
217.08607	2.9
219.06442	3.9
219.08279	2.6
227.07013	1.8
229.05003	3.9
231.06549	4.7
235.05800	1.6
235.07744	1.7
235.09669	1.7
236.06749	1.4
237.09288	1.5
239.07040	1.9
247.07578	3.2
248.06625	1.6
249.07445	2.4
255.06502	1.8
261.09308	1.5
263.07034	2.4
263.10892	1.4
265.08597	1.8
266.07782	6.0
267.06445	1.4
277.08603	2.6
281.08127	2.5
293.08087	2.2
295.09546	2.9
304.56573	1.2
307.09833	3.1
309.07938	2.2
309.11310	1.5
321.07681	1.4
323.09286	1.4
339.08453	1.8
347.08838	1.5
355.11829	5.7
357.09662	3.5
359.08948	1.5
369.13385	1.3
377.10205	2.7
395.11292	4.5
407.11127	2.4
413.12033	1.3
425.12476	2.5
429.72134	1.2
437.12454	1.9
463.13406	1.6
471.14563	1.4
482.37445	1.4
485.15723	2.4
495.14368	1.6
497.15121	2.1
503.16736	1.6
513.15112	1.9
515.16919	3.4
517.18604	4.0
531.16364	3.6
533.17731	3.5
543.16498	14.1
561.17584	12.0
573.17480	2.3
579.18689	8.8
591.18713	6.4
609.19678	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	609.1972
Annotation	chlorophyll c2
Peak:m/z	Relative Intensity
53.03933	2.5
55.01882	3.8
55.05521	11.0
55.14176	0.6
65.03928	2.6
66.04728	0.8
67.05495	2.2
68.99777	1.6
69.03439	5.5
69.15173	7.4
77.03918	0.7
79.05500	7.8
80.43807	0.6
81.02988	1.1
81.03430	15.0
81.07050	2.6
83.04991	66.6
91.05497	8.6
93.03397	2.0
93.07050	1.9
94.04204	4.3
95.04983	5.8
95.29691	0.8
96.93152	0.7
99.04488	1.6
103.05482	5.8
105.03395	1.9
105.07043	7.2
107.04964	7.0
109.02892	1.6
109.06522	3.2
111.03713	1.5
111.04455	25.7
113.06018	5.9
115.05462	9.5
117.07032	8.0
119.04960	5.2
121.02873	3.1
121.06516	2.8
122.03661	6.6
123.04432	8.3
125.02341	1.1
125.05981	2.3
128.06244	3.3
129.07013	9.7
130.04181	0.8
131.04941	14.8
132.05675	1.1
133.02829	1.7
133.06516	7.8
135.04414	4.8
136.05171	1.1
137.02412	3.5
137.05992	100.0
138.03151	1.0
143.04947	6.8
144.05734	4.0
145.02893	1.5
145.06499	7.8
147.04411	5.2
147.08047	1.2
149.02383	1.3
149.06015	3.3
151.03914	10.9
151.05052	0.6
151.07535	2.4
153.05504	3.8
153.06844	0.7
157.06506	9.7
159.04427	5.7
160.05212	5.5
161.06006	10.3
163.03929	1.2
163.07515	4.3
164.04576	0.8
165.05527	1.6
166.07788	0.7
167.03365	1.0
169.06483	0.8
171.04431	2.4
172.05247	3.3
173.05978	5.9
174.06792	2.8
175.03935	3.2
175.07568	20.7
177.05508	2.1
177.09035	1.3
179.07085	1.1
181.06511	1.1
185.06029	2.6
187.03917	2.2
187.07565	9.2
188.08325	0.7
189.05519	7.2
189.06961	0.9
189.07253	1.0
189.09120	10.3
190.06235	0.9
191.07082	2.2
193.04948	2.3
197.05888	0.8
199.03929	2.0
199.07614	1.3
201.05447	4.5
203.07059	1.9
205.04962	1.3
205.08578	6.2
207.06456	1.6
207.08136	2.1
213.05460	1.7
214.06253	0.8
215.03429	0.9
217.05000	2.8
217.08653	2.6
219.06335	3.8
219.08235	2.3
221.07941	0.9
225.05550	1.2
227.07167	2.3
229.04956	3.3
230.05978	1.0
231.06523	2.4
235.05794	1.8
235.07794	1.8
235.09665	1.2
236.06767	1.1
237.09322	0.9
239.07030	1.5
241.04965	1.0
247.07666	3.5
249.05449	1.0
249.07498	1.5
251.07085	1.3
253.04837	1.1
253.09015	1.2
255.06560	1.8
257.04532	1.0
259.07767	1.0
263.07004	2.0
264.07971	1.2
265.08701	3.0
266.07922	4.6
267.06464	1.6
267.10391	0.7
275.06863	0.7
277.08643	2.7
279.06671	1.9
279.10138	1.6
281.08142	2.5
283.09766	1.1
289.08685	1.1
291.06699	1.5
291.10214	1.9
293.08112	2.6
295.09698	3.2
297.07858	0.8
297.11380	1.0
307.09741	2.9
309.07916	1.3
309.11166	1.3
311.09354	1.6
315.10236	1.1
319.09497	1.0
321.07660	1.9
327.12228	0.9
331.09604	1.2
337.07077	0.9
339.08759	2.5
347.09256	1.6
349.10681	1.2
355.11880	3.9
357.09775	2.7
359.09241	1.9
361.10559	1.0
365.10367	1.3
373.09225	1.1
377.10220	2.4
387.11487	2.1
395.11221	4.5
403.10986	1.6
407.11200	2.1
409.13028	1.0
423.10358	0.9
425.12363	3.0
433.12668	1.0
437.12457	2.2
447.14218	1.0
451.13931	1.0
457.16602	1.5
463.14105	2.6
467.14658	1.1
479.14117	0.9
483.14603	1.1
485.16052	2.8
487.17526	1.6
495.14835	1.1
497.16226	1.1
501.15323	1.2
513.15448	3.3
515.17212	2.6
517.18884	2.1
519.16681	1.0
520.13837	1.2
525.15491	2.1
531.16656	5.6
533.18036	1.7
543.16626	21.9
551.19196	1.5
561.17633	13.4
573.17297	1.5
579.18622	9.7
591.18549	7.7
609.19763	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.01883	0.9
55.05497	0.2
57.03446	0.6
59.03087	0.1
61.02188	0.1
61.02921	0.5
65.03931	0.1
67.05504	0.4
68.99796	0.4
69.03088	0.2
69.03437	2.9
69.20833	1.2
70.06595	0.3
71.05015	0.6
71.07397	0.2
72.08173	0.7
73.02909	0.7
79.05490	0.5
81.03426	4.3
81.07059	0.4
83.01327	0.2
83.04982	0.3
85.02916	5.9
87.00840	2.5
91.03960	0.3
91.05476	0.5
93.03397	0.2
93.07060	0.3
95.04962	0.3
95.08615	0.3
97.02895	2.0
98.06083	0.2
99.04482	1.2
103.05479	0.2
105.01894	1.1
105.07029	0.5
107.04940	0.3
107.08656	0.2
109.02890	3.2
109.10155	0.2
111.04462	0.1
117.01868	0.7
117.07012	0.3
119.04992	0.2
119.08601	0.3
121.02857	0.6
121.06502	0.3
121.10135	0.2
123.04366	0.2
127.03931	4.0
129.01842	0.4
129.06999	0.2
131.04970	0.3
131.08583	0.2
133.02798	0.1
133.06508	0.2
135.04430	0.3
137.02371	0.3
137.06004	1.6
137.09679	0.2
145.04980	1.3
145.06100	0.2
145.06461	0.1
145.10130	0.3
147.02884	0.3
147.04468	0.2
147.07996	0.2
149.02354	0.8
151.03905	0.8
151.07556	0.2
153.01808	0.3
153.32903	0.1
159.02921	1.8
164.04674	1.0
165.05568	0.1
165.09148	0.3
166.06252	0.2
167.07016	0.2
167.10695	0.1
168.04153	0.1
170.20641	0.1
177.03841	0.1
177.05489	0.3
181.01353	1.4
182.02110	0.2
183.02904	0.5
197.04506	0.9
199.02449	0.1
200.24171	0.1
208.67799	0.1
209.04588	0.1
229.04944	0.5
231.05057	0.4
244.17043	0.2
247.06026	0.4
257.04535	0.8
258.05106	0.2
259.06039	0.7
260.03226	0.3
261.04184	0.2
261.07520	0.1
262.18112	0.3
271.06088	0.1
273.07474	0.2
274.04599	0.1
275.05469	1.6
276.80319	0.1
282.05151	0.1
285.03888	1.4
286.04901	0.2
287.05499	0.7
289.07205	0.3
299.05612	0.2
300.06329	0.4
301.07010	1.1
302.04282	1.5
303.05011	4.4
305.10501	0.1
313.03439	1.1
314.04166	0.3
315.05045	1.6
316.05823	0.1
317.06592	7.7
318.07419	0.4
327.05109	0.3
328.05801	1.1
329.06564	2.6
330.03809	0.6
331.04498	3.2
332.05292	1.1
345.01706	0.1
345.06094	8.4
346.06870	14.3
347.07233	0.3
359.07443	0.2
361.09201	100.0
362.09583	0.9
372.22092	0.1
429.11957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.01870	0.7
55.05500	0.3
57.03423	0.7
61.02918	0.8
62.69473	0.2
65.03926	0.2
67.05500	0.5
68.99795	0.4
69.03435	4.8
70.06564	0.3
70.88274	0.4
71.05003	0.3
72.08154	0.9
73.02908	0.6
76.59655	0.2
79.05497	0.6
80.06259	0.2
81.03427	4.6
81.07054	0.6
83.04990	0.3
85.02432	0.4
85.02912	4.6
87.00840	3.4
87.85557	0.2
91.03940	0.6
91.05492	0.7
93.07052	0.3
95.04958	0.6
95.08593	0.3
97.02902	3.2
99.04461	1.5
105.01898	1.4
105.07044	0.9
107.04966	0.3
109.02889	2.7
111.71116	0.2
117.01848	0.8
117.07066	0.4
119.08571	0.2
121.02850	0.5
121.06556	0.2
123.04463	0.2
127.03931	3.8
128.06233	0.2
129.01813	0.4
131.08557	0.2
133.06470	0.3
137.02367	0.3
137.05960	1.2
143.08583	0.2
145.04976	1.1
145.06494	0.3
145.10178	0.4
149.02356	0.5
149.81512	0.2
151.03934	1.1
151.04967	0.2
153.01843	0.4
158.07372	0.2
159.02910	2.3
164.04680	1.0
165.01814	0.2
168.04149	0.2
171.08115	0.2
173.09615	0.2
181.01329	1.8
183.02867	0.3
183.06508	0.2
197.04457	0.8
199.02487	0.2
213.03859	0.4
229.05060	0.3
231.05029	1.3
247.06050	0.2
257.04492	0.7
259.06122	0.4
260.03107	0.3
262.18152	0.5
273.07700	0.2
275.05496	1.5
278.17404	0.2
282.04910	0.2
285.03833	1.3
286.04715	0.4
287.05469	0.6
289.07336	0.3
300.06268	0.6
301.07129	0.5
302.04324	1.3
303.04999	4.9
313.03302	1.2
314.04285	0.5
315.05176	1.0
317.02921	0.5
317.06564	7.5
318.07153	0.4
327.04929	0.4
328.05814	1.2
329.06525	2.8
330.03763	0.7
331.04477	2.9
332.05344	0.7
345.06085	7.2
346.06854	13.9
361.09195	100.0
362.09528	0.9
374.59363	0.2
385.91116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41859	0.1
53.03948	0.7
55.01862	0.5
57.03431	0.5
57.67151	0.1
61.02919	0.5
68.99787	0.4
69.03090	0.2
69.03439	3.8
71.01332	0.2
71.04990	0.5
72.08148	0.3
73.02901	0.5
79.05488	0.3
81.03425	3.1
83.01337	0.2
83.04988	0.1
85.02914	5.8
87.00844	2.3
89.46419	0.1
91.05472	0.3
93.07050	0.2
95.04959	0.2
96.04498	0.1
97.02908	1.9
99.04459	1.3
103.03957	0.2
105.01878	1.1
105.07058	0.2
107.04961	0.3
109.02884	2.9
116.07030	0.1
117.01907	0.1
119.04971	0.1
120.08287	0.1
121.02898	0.1
121.06520	0.2
122.03638	0.2
122.21117	0.1
127.03932	5.0
129.01843	0.5
131.08669	0.1
133.02869	0.2
135.04424	0.3
137.02396	0.2
137.05980	0.2
139.03870	0.3
139.09917	0.1
145.04974	1.2
145.65883	0.1
147.02908	0.3
147.04390	0.3
148.05217	0.1
151.07573	0.4
153.01878	0.3
154.02635	0.1
159.02937	1.4
160.30016	0.1
161.05995	0.5
163.03955	0.2
165.05476	1.5
167.03371	0.2
168.00551	0.2
169.01334	0.5
169.04971	2.1
177.05400	0.2
178.06302	0.1
181.01408	0.3
182.02161	0.3
183.02904	2.7
183.04512	0.2
195.02936	0.4
205.05081	0.1
209.00844	0.1
213.03876	0.2
217.04965	0.3
219.06531	0.1
224.03131	0.2
229.04970	0.2
229.77718	0.1
231.04979	0.5
241.04893	0.2
243.06799	0.2
245.04434	0.2
257.04514	0.6
259.06000	0.2
271.06015	0.3
272.06818	0.1
275.05521	0.2
285.04056	0.5
286.04724	0.3
287.05557	3.3
287.08847	0.2
288.06229	0.2
299.05652	0.5
300.06314	0.5
301.06973	1.1
302.04291	1.1
303.05075	1.1
305.10165	0.2
313.03415	0.5
314.04150	0.2
315.05014	11.5
316.05695	0.2
317.06570	2.9
327.04895	0.2
328.05869	1.0
329.02936	0.2
329.06512	1.5
330.03702	1.0
330.07388	0.6
331.04550	1.2
331.08176	0.2
332.05270	0.4
332.08841	0.2
343.04605	0.2
343.08356	0.2
344.09122	0.2
345.06094	9.2
346.06860	9.1
359.07651	3.0
360.08344	0.3
361.09201	100.0
362.09561	0.8
403.10049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01861	5.8
55.05516	7.7
65.03927	1.8
67.05505	11.6
69.07066	3.2
69.30500	10.0
69.30913	2.9
70.06570	2.5
71.01362	2.8
71.07375	2.3
72.08164	51.0
79.05508	32.9
81.03420	3.5
81.06590	2.9
81.07066	55.9
81.93506	1.4
91.05492	22.3
93.03391	5.4
93.07060	13.9
95.04958	5.4
95.08607	8.7
105.07008	7.6
107.04957	6.8
107.08591	10.6
108.05732	3.4
109.06525	17.8
109.10119	3.7
117.07018	5.7
119.04920	5.1
119.08599	5.7
121.06541	3.7
129.07010	3.3
131.08556	6.2
133.10118	3.4
135.11708	1.5
137.05992	24.4
137.13260	2.5
139.09807	2.0
145.06445	4.4
145.10150	3.1
147.11678	4.5
147.72633	1.7
149.05968	3.3
150.09158	3.1
153.06982	1.5
155.07071	3.3
155.08574	4.5
157.06564	2.0
161.05946	3.9
163.09991	1.6
167.07082	16.9
167.08482	3.8
169.06461	2.1
173.06000	2.9
173.09525	2.0
175.11273	1.7
179.13033	7.3
181.08710	2.9
181.10133	1.9
183.08031	2.7
187.11206	1.7
190.12126	1.8
191.07039	7.0
191.08554	2.4
193.10138	1.6
194.07278	2.1
195.08041	2.1
197.09502	2.3
205.08600	3.5
207.08089	2.6
208.13350	100.0
209.09671	3.4
211.11041	1.7
215.10672	1.9
217.08562	4.2
218.02386	1.6
219.08095	1.9
221.09651	1.7
225.09030	3.1
226.14377	18.0
230.96005	1.8
231.10141	2.1
233.09570	1.8
234.14877	6.3
237.09093	2.3
244.16977	2.5
245.11742	2.2
245.17700	2.7
246.18704	9.0
246.47908	1.6
247.13274	8.3
249.09151	2.0
255.10110	2.4
257.11703	2.0
261.40176	1.6
265.12164	2.8
269.11719	3.5
281.11832	1.7
283.13202	3.2
297.11386	3.4
297.14792	4.1
305.18503	1.8
309.11200	1.6
309.14722	2.0
323.16272	3.9
332.18365	1.9
351.15866	3.8
365.17386	3.7
368.18860	2.3
368.46619	1.7
422.23282	2.8
436.24765	10.7
454.25891	22.4
466.25729	6.7
590.38367	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	608.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.0
55.01866	4.4
55.05522	17.6
57.66187	3.0
67.05507	25.1
69.07079	18.8
69.17894	29.5
70.06596	5.6
71.07383	6.5
72.08165	70.2
79.05502	51.2
81.03423	7.3
81.07062	41.4
81.54671	3.1
83.04994	5.7
83.34911	3.2
86.18809	4.0
91.05496	43.5
93.07050	27.1
95.04961	12.2
95.08606	11.3
102.65723	3.7
102.77272	3.2
103.05505	5.8
105.07046	28.9
107.04971	22.1
107.08599	13.9
109.06526	7.7
109.10145	14.7
115.05472	4.6
116.07104	3.9
117.07014	14.7
119.08567	14.8
121.06541	8.7
121.10157	6.6
123.11706	3.4
125.82977	3.2
128.06259	4.8
129.07025	14.0
131.04950	6.4
131.08583	29.2
133.06491	11.4
133.10094	5.3
137.05971	6.0
139.09953	9.1
141.06929	8.0
143.08592	5.0
145.06462	8.6
145.10121	9.3
147.08046	6.3
147.11674	9.8
149.05966	5.0
152.06181	5.2
153.07033	13.1
154.07802	6.8
155.06085	3.3
155.08478	8.3
156.05748	7.6
157.06459	15.6
157.10123	4.9
159.04492	4.6
159.08063	8.0
159.11559	3.1
161.05981	8.5
165.06972	23.5
167.07121	55.9
167.08589	12.3
169.10149	3.4
170.07277	6.7
171.08069	5.9
173.06030	9.5
175.07539	4.8
176.04460	4.1
179.08556	11.8
179.12939	3.1
181.04958	16.6
181.06512	11.9
181.10075	3.7
182.07297	11.0
183.08090	10.3
184.05206	3.6
185.09685	5.4
187.07492	7.7
189.05450	5.3
189.09094	4.2
190.06236	4.5
191.06984	12.8
191.08542	7.4
192.07849	7.8
193.06529	4.6
193.08569	12.6
194.07278	10.0
195.08089	14.6
196.08838	6.7
197.05989	5.5
197.09651	14.3
202.06210	7.5
203.08527	6.9
204.07736	5.0
205.08530	19.5
206.15485	4.5
207.08258	8.0
207.10184	16.0
207.11839	4.8
208.08905	4.3
208.13316	4.5
209.09604	7.2
210.06726	4.1
211.07594	6.5
211.11192	8.3
213.09082	12.6
217.08586	29.0
219.08391	3.6
219.10065	18.3
220.08766	4.7
221.09616	8.5
222.06784	4.2
224.08310	5.0
225.09116	8.6
227.10722	4.4
229.08614	6.8
230.09419	8.4
230.15395	8.0
231.06429	5.2
231.10150	13.9
233.09694	5.7
233.11737	7.7
235.11200	6.8
237.09116	6.7
237.12749	10.1
239.10783	7.1
241.08557	4.3
241.12228	4.0
243.10225	9.9
245.11797	20.4
246.18581	6.2
247.11214	7.8
249.02130	4.8
250.10007	4.8
251.10764	8.3
253.08459	6.8
253.12230	7.7
255.10110	5.9
256.11041	6.4
257.11688	20.3
258.12521	4.1
259.13342	4.4
263.10855	4.4
265.12314	16.4
267.13724	5.8
269.11777	11.4
271.13358	11.1
281.11948	6.0
283.13211	9.4
284.14224	3.5
285.14874	11.2
291.10434	3.6
291.13641	4.4
293.11703	4.3
295.13416	9.3
297.14731	28.0
299.16605	7.9
305.15439	4.5
307.13312	3.6
311.16522	5.3
313.14374	23.0
321.18594	4.3
325.14297	13.9
327.19592	6.2
353.21375	5.7
384.21790	65.9
396.21774	33.2
402.22903	7.0
436.24747	7.3
449.26788	10.1
454.25958	12.6
488.31937	5.2
520.34308	100.0
572.36841	11.1
590.38348	12.5
608.20905	8.6
608.44751	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	607.2915
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
50.86112	0.3
53.06453	0.3
71.13634	0.7
111.59959	0.3
116.32092	0.3
120.26803	0.3
149.40857	0.3
181.78705	0.3
237.13515	0.3
361.15356	0.3
387.16367	0.4
388.16714	0.6
389.17596	1.3
401.17899	0.5
402.18295	1.2
403.19254	2.9
404.20090	1.1
405.20786	1.3
406.21658	0.3
415.19516	0.9
416.19958	0.9
417.21320	4.2
418.21869	1.9
419.22333	3.5
430.17432	0.7
430.22379	0.5
431.18088	8.0
431.23553	0.8
432.19534	1.4
432.24094	0.5
433.24100	9.9
434.24585	1.1
444.19098	0.8
445.19748	10.0
446.20856	5.0
447.21649	3.9
459.21289	4.5
460.22552	12.7
461.23355	15.4
462.20358	0.4
473.23535	3.9
474.23944	1.1
477.22885	0.6
487.24829	1.7
488.25616	0.8
489.22952	0.5
492.25085	1.0
505.21957	2.5
506.26764	0.7
515.24292	0.9
519.27423	1.6
532.24512	1.4
547.27069	55.3
548.27576	0.8
575.26599	1.1
579.29694	1.5
607.29169	100.0
608.29602	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	608.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43386	1.5
53.03939	4.7
55.01865	7.3
55.05510	2.2
64.89845	1.5
67.05524	1.7
69.03394	2.1
70.04513	1.8
71.07386	2.9
71.53527	2.2
72.08155	17.9
78.61912	1.7
78.70248	1.7
79.05498	14.6
81.03431	3.5
81.07057	4.1
91.05487	21.6
93.07043	14.2
95.04969	9.3
95.08598	1.9
103.05496	2.6
105.04479	1.8
105.07037	8.6
107.04945	4.5
109.06506	2.0
117.06979	4.7
119.08597	7.5
121.06517	100.0
121.10139	2.8
128.06212	5.4
129.07004	4.6
130.02081	1.5
133.06503	3.0
135.04416	21.1
139.09947	3.5
140.10709	1.9
143.08577	5.1
145.10046	4.0
147.08064	12.9
153.01820	1.8
161.06053	1.8
161.09605	4.5
164.94893	1.5
189.09161	9.4
213.05348	2.1
218.15483	5.4
260.13702	2.6
260.16489	46.1
262.17935	2.4
278.17560	4.2
286.71365	1.8
287.05377	1.7
299.05624	2.1
301.07166	4.6
315.05051	5.6
316.05713	7.3
328.05777	6.0
329.06540	27.7
330.07385	11.6
331.08121	25.7
341.06512	2.8
342.07489	3.0
343.08191	7.6
345.05887	2.9
348.71320	1.8
355.95758	1.6
357.09540	3.7
417.09720	2.0
418.10269	1.9
419.11273	2.5
433.12720	9.0
462.23856	1.8
473.15359	2.4
501.15488	6.3
519.16364	6.4
548.27240	6.2
572.14313	3.2
572.22638	28.0
590.23975	42.8
608.29559	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	607.2915
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
57.12103	0.2
64.79506	0.2
69.29701	0.2
71.17169	0.4
71.39458	0.3
92.44994	0.2
107.55010	0.3
131.59531	0.2
132.23160	0.3
147.02988	0.3
172.09131	0.2
173.14674	0.3
209.10936	0.3
248.59778	0.3
387.15948	0.4
389.17795	1.0
401.17593	0.4
402.18188	0.5
403.19199	2.0
404.20056	0.9
405.20901	1.0
415.19714	0.3
416.20438	0.5
417.21390	2.7
418.21655	1.5
419.22485	3.1
429.21481	0.4
430.17465	0.7
430.22443	0.4
431.18170	6.0
431.23615	0.6
432.18826	1.2
433.19141	0.4
433.24127	6.2
434.24835	1.1
444.19196	0.7
445.19925	6.8
446.20810	3.8
447.21823	4.2
447.27011	0.4
457.19885	0.3
459.21539	3.8
460.22607	10.1
461.23334	10.1
462.24179	0.3
473.23608	3.2
474.24194	1.0
477.23148	0.6
487.25281	1.5
488.25562	0.6
489.22937	0.8
491.20322	0.6
492.25342	0.8
505.22125	2.5
506.26996	0.5
515.24213	0.6
519.24384	1.4
519.27118	1.4
532.24902	0.6
533.25287	0.4
547.27075	30.1
548.27423	0.9
575.26636	1.1
578.25403	0.4
579.29907	0.6
579.83618	0.3
592.26862	0.5
601.10260	0.3
607.29181	100.0
608.29340	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	607.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49604	0.3
53.69352	0.3
62.10851	0.3
69.31676	2.2
69.32098	0.5
69.61451	0.3
78.61308	0.3
122.61360	0.3
219.36649	0.3
277.41034	0.3
389.17776	0.9
401.18323	0.4
402.18692	0.6
403.19278	2.5
404.20340	0.7
405.20956	1.3
416.20547	0.5
417.16132	0.5
417.21243	2.7
418.21597	1.3
419.22531	2.5
430.17618	0.6
431.18170	5.4
432.19373	1.4
432.24176	0.5
433.24130	6.3
434.24783	0.8
444.19080	0.4
445.19843	6.4
446.20825	3.0
447.21683	3.8
459.21591	3.5
460.22656	8.0
461.23422	7.2
473.23480	2.1
474.24274	0.6
477.22891	0.7
487.25372	1.4
489.22729	0.4
491.24963	0.6
492.25732	0.7
505.21814	2.0
519.24335	1.4
547.27112	22.9
548.27490	0.5
575.26636	0.6
579.29883	0.6
607.29205	100.0
608.28601	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2553
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.81343	0.6
65.68600	0.6
67.05505	1.8
71.53011	0.8
79.05507	1.0
81.03412	1.0
81.07072	0.8
91.05489	1.0
93.07045	0.8
95.08607	0.9
100.42961	0.6
103.34274	0.6
107.08614	0.9
116.35061	0.6
119.08656	0.8
135.04250	0.6
189.09306	0.6
251.98621	0.6
256.74783	0.6
316.45111	0.7
389.17804	2.2
390.18216	0.8
391.19180	1.3
403.19443	4.0
404.19995	1.9
405.20889	2.5
417.16302	3.7
417.21878	1.3
418.22070	1.1
419.22632	5.2
430.18118	1.0
431.18375	6.7
432.19519	2.1
433.20236	2.8
443.18884	0.7
445.20212	4.7
446.21088	6.6
447.21774	7.0
459.22232	1.9
461.19659	1.4
474.20450	4.9
475.21237	4.2
477.23132	0.7
478.23544	0.8
487.21097	1.5
491.21057	2.3
501.22980	1.3
519.24091	15.4
547.23456	13.7
579.26099	6.1
607.25580	100.0
608.25903	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2552
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
57.75919	0.3
71.06674	0.7
79.05496	0.4
81.07040	0.5
105.16200	0.3
123.38078	0.3
143.39874	0.3
158.09619	0.4
160.59938	0.4
221.10683	0.4
322.13416	0.5
324.14594	0.3
374.15482	0.5
375.15967	0.8
377.17523	0.4
387.16153	0.6
388.16928	1.4
389.17700	3.0
390.18246	1.0
391.19089	0.9
400.17798	0.3
401.17621	0.9
402.14157	0.8
402.18600	1.2
403.19501	5.5
404.20200	2.8
404.89926	0.3
405.20840	2.7
407.22269	0.4
416.15735	1.6
417.16150	4.3
417.20993	2.8
418.16962	0.6
418.21503	1.3
419.22467	8.6
420.23001	0.6
430.17657	1.2
431.18344	10.2
432.19077	2.9
433.19394	3.1
433.24814	0.9
443.18399	0.4
444.20197	0.4
445.20126	9.1
446.21033	8.7
447.21844	12.8
457.20752	0.4
459.17688	2.1
459.22113	2.0
460.23260	4.4
461.23169	3.6
462.24319	0.5
463.25714	1.7
473.18982	1.0
473.23322	1.7
474.20404	11.6
475.21179	12.9
476.21744	0.5
477.22687	1.1
478.23373	0.7
487.20496	2.0
488.21985	0.9
490.24316	1.4
491.20587	1.9
501.23132	1.9
503.24496	0.6
504.21799	0.6
505.22144	2.2
506.22830	0.4
518.23474	0.8
518.89417	0.4
519.23956	15.4
529.22107	0.5
532.21313	0.7
547.23108	64.3
548.23718	1.2
561.24872	1.3
579.25983	4.5
589.24487	1.3
607.25482	100.0
608.25781	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2554
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
69.40356	0.8
69.40781	0.8
81.07075	0.2
91.05487	0.2
93.79285	0.2
125.65062	0.2
197.10756	0.3
209.10770	0.3
211.12163	0.2
221.10710	0.4
223.12393	0.2
249.10207	0.3
259.12421	0.3
303.76175	0.2
326.36227	0.3
335.14511	0.3
340.37646	0.2
357.82611	0.2
373.14456	0.3
374.15543	0.4
375.16098	0.7
387.16251	0.4
388.16782	1.0
389.17627	2.8
390.18341	1.0
391.19467	1.0
401.17838	0.7
402.14047	0.3
402.18488	0.7
403.15616	0.5
403.19498	3.7
404.20203	1.7
405.20776	3.3
415.19098	0.7
416.16199	0.8
416.20654	0.5
417.16290	3.8
417.21152	1.6
418.17651	0.8
418.21774	0.8
419.22510	6.4
420.22998	0.9
429.16888	0.3
430.17758	0.9
431.18387	8.8
432.19171	3.3
433.19797	3.4
433.25497	0.3
434.25339	0.3
435.21948	0.3
443.18616	0.3
445.20209	6.0
446.21017	7.4
447.21735	8.5
448.22485	0.7
459.21786	1.6
460.22482	1.2
461.18909	1.9
462.24500	0.4
463.20450	0.4
463.25708	0.4
473.18494	0.4
473.23502	0.7
474.20309	5.3
475.21167	4.4
476.21893	0.3
477.22751	0.7
478.23630	0.7
487.21222	1.8
488.21875	0.3
489.22763	0.3
490.23593	0.3
491.19989	2.9
501.23248	1.2
504.21323	0.4
505.22360	0.8
506.22958	0.5
518.23090	0.4
519.24091	16.0
520.24225	0.3
529.22144	0.3
536.23932	0.3
547.22986	13.1
548.23846	0.7
551.26575	0.4
561.24884	0.5
575.22162	0.3
579.26093	5.9
589.23883	0.4
607.25433	100.0
608.25342	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.2
55.01862	3.7
57.03421	2.8
58.06604	6.1
61.02926	2.7
65.03932	2.2
67.83855	1.1
69.03432	14.0
69.38110	3.9
69.38537	5.2
70.06578	1.3
71.01338	1.4
71.04981	2.9
72.08160	2.4
73.02904	3.9
79.05511	1.7
81.03415	12.0
83.50884	1.1
85.02905	25.0
86.03273	1.2
86.09743	1.4
87.00832	11.7
87.04434	1.9
91.05458	4.7
93.07047	1.8
94.04178	3.2
94.35753	1.1
95.04936	1.7
97.02896	20.5
99.04487	7.4
103.05447	2.0
105.01849	7.0
105.07014	1.9
107.04913	2.2
109.02881	8.9
109.06524	2.2
109.10165	1.4
115.03908	3.3
115.05450	5.6
116.07056	1.3
117.03360	3.4
117.06994	3.4
118.03700	1.6
119.04977	3.0
121.06487	2.1
122.03625	6.1
125.02372	1.1
125.05963	1.5
127.03915	18.5
128.06169	1.6
129.01837	1.6
129.07065	6.5
130.22153	1.1
131.04941	1.9
131.08609	2.5
135.04395	1.3
137.05983	100.0
141.05418	2.2
143.04926	6.3
144.05670	1.9
145.02853	10.2
145.04936	7.8
145.06378	1.3
145.10240	2.0
146.03194	5.3
147.04372	5.2
147.08002	1.8
149.05951	2.3
151.03894	5.2
151.07584	8.8
153.05498	2.3
157.06494	5.0
159.02878	5.8
159.08049	1.8
160.05180	9.2
160.07497	1.8
161.04512	2.3
161.05899	2.7
163.07568	6.0
165.05489	1.3
172.05202	3.0
174.06744	2.8
175.07559	66.1
177.05457	22.0
178.05811	8.3
182.11789	1.8
186.06812	1.8
187.07544	31.9
189.09096	8.0
199.07681	1.8
201.09122	3.2
205.08580	13.3
211.07524	3.1
217.08565	5.7
219.04939	1.6
219.08142	2.5
219.10139	4.2
227.06998	2.5
231.05013	1.5
231.08026	3.3
235.09587	10.1
237.09044	1.2
239.06963	1.7
240.07742	2.3
247.04529	1.5
247.07602	2.5
248.08328	3.4
255.06525	2.8
259.07385	1.4
263.10605	3.8
269.07941	1.6
270.08862	5.9
271.09680	7.3
276.07870	2.0
277.08667	1.3
279.10129	3.1
280.10776	1.2
283.09665	3.4
291.10196	10.1
292.10867	1.7
311.12689	5.4
313.14148	1.3
323.12820	14.2
325.14331	3.8
341.13779	18.3
358.16382	3.8
359.16867	9.8
430.17041	1.3
431.17200	2.9
607.26367	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	607.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
53.23304	1.3
55.01865	5.1
55.05520	10.8
65.03938	4.7
67.05509	9.9
68.99787	2.5
69.03430	6.6
71.52779	1.7
73.13325	1.2
79.05498	14.7
81.03423	12.6
81.07052	8.6
83.04990	82.5
91.05489	18.9
92.70996	1.4
93.03415	1.4
93.07058	6.7
95.04967	12.2
95.08638	2.1
96.38685	1.3
97.02905	2.1
97.06573	1.3
103.05467	7.6
105.03394	2.5
105.07043	11.5
107.04970	8.9
107.08552	1.4
109.02892	2.3
109.06508	3.6
111.04469	14.4
113.06016	47.4
115.05481	12.4
117.07030	8.4
119.04972	6.9
119.08521	2.1
121.02874	4.2
121.06504	4.0
122.03642	1.6
123.04477	6.5
128.06197	2.2
129.07019	8.3
131.04941	10.8
131.08603	2.7
133.06491	4.5
135.04434	100.0
137.02367	3.2
137.06013	4.4
139.03841	1.4
141.06993	1.7
143.04938	7.0
144.82890	1.4
145.06517	10.0
147.04425	8.1
149.02362	40.5
149.06000	4.6
151.03908	5.7
151.07565	6.4
153.05492	1.7
155.03371	1.5
157.06534	7.4
159.04445	5.9
160.05190	1.7
161.05997	13.3
163.03928	4.7
165.05515	2.8
171.04427	2.8
173.06003	28.2
175.03932	4.3
175.07533	3.6
177.05452	4.7
177.08995	1.4
179.07043	1.4
179.08664	1.9
185.06041	8.6
187.03923	2.8
187.07558	8.3
189.05557	6.7
189.09108	3.7
191.06970	2.9
191.08583	1.6
193.05049	3.2
199.03780	1.5
201.05486	5.3
203.07082	13.1
203.10667	1.3
205.04936	1.7
205.06654	2.0
207.08197	1.7
213.05522	2.4
215.06932	2.6
217.04953	3.3
219.06483	3.5
219.08281	3.1
221.08014	1.3
225.05411	2.2
228.18198	1.3
229.04953	2.4
230.05669	2.6
231.06526	3.2
235.05795	1.7
235.07735	2.1
236.06720	3.0
248.06807	1.7
249.07590	2.3
253.04857	2.2
261.08957	1.6
265.08643	1.8
266.07959	5.2
267.06360	1.7
275.07239	3.0
277.08569	2.8
279.09973	1.8
281.08160	1.9
289.08621	2.6
291.06445	2.3
293.08014	3.4
295.09744	3.1
305.07980	3.7
307.09604	1.7
311.09149	1.4
321.07578	3.2
323.08972	2.1
353.10168	5.6
357.09686	2.2
367.12125	1.9
377.09970	1.7
379.11819	1.5
389.12247	1.5
395.10828	1.8
403.10297	1.4
417.21078	1.6
431.18521	2.1
433.23962	2.4
445.20114	3.1
447.11057	1.4
461.23474	4.7
483.14395	1.7
485.16104	2.2
499.13150	1.9
515.17059	4.1
518.11884	1.7
529.15027	2.6
531.16669	2.1
541.15149	7.0
547.27167	9.9
559.15826	7.3
571.16016	2.7
577.17053	5.7
589.16858	8.4
607.18011	18.8
607.28967	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	607.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73777	1.0
53.03938	3.9
55.01866	4.8
55.05519	12.4
58.16356	1.2
63.88379	1.1
65.03937	5.3
67.05511	8.3
68.99782	2.0
69.03438	8.1
69.07069	1.6
71.04983	1.1
71.52175	1.5
77.03959	1.3
79.05502	14.4
81.03442	12.1
81.07058	7.0
83.04991	93.9
83.08618	1.9
91.05485	14.4
93.07047	5.1
95.01345	1.2
95.04989	10.2
95.08598	2.0
95.70952	1.2
97.02896	2.3
99.04427	1.4
103.05491	7.9
105.03396	2.5
105.04520	1.9
105.07028	10.1
105.72047	1.0
107.04955	7.6
107.08571	2.5
109.02883	3.1
109.06514	4.5
111.04451	19.7
113.06019	62.0
115.05466	11.2
117.07047	7.8
119.04948	7.0
119.08640	1.5
121.02859	3.2
121.06499	6.5
121.10202	1.1
123.04424	6.9
128.06245	1.9
129.07022	9.5
131.04939	10.8
133.02873	1.3
133.06487	5.3
133.10097	1.2
135.04433	100.0
137.02348	2.8
137.05975	6.8
138.03128	1.8
139.03929	2.4
143.04958	6.9
145.06499	10.6
145.12648	1.3
147.04425	8.3
147.08141	1.5
149.02362	43.5
149.05998	4.6
151.03963	3.7
151.07516	1.3
153.05455	2.8
155.04900	1.4
157.06551	6.2
159.04439	7.2
161.05969	10.2
163.03923	4.8
163.07587	1.4
165.05525	2.0
171.04436	3.1
172.05215	2.4
173.06003	34.4
175.03915	3.9
175.07520	3.1
177.05440	3.1
185.05969	12.0
187.03940	2.0
187.07503	6.3
189.05452	7.6
191.07005	2.0
191.08575	1.4
193.04936	2.6
197.06021	1.5
201.05467	5.1
202.06310	1.3
203.07033	12.4
207.08084	1.5
209.06184	1.3
213.05452	1.9
215.06990	2.7
217.05009	4.0
219.06334	2.1
219.08249	2.1
225.05531	1.9
229.04950	2.3
230.05779	2.2
231.06358	2.7
233.08092	2.3
235.05757	1.9
235.07800	1.8
236.06837	3.5
237.05408	2.5
237.07497	1.9
247.07785	1.2
248.06734	3.0
249.07465	1.6
251.07053	1.4
253.04964	3.0
259.07648	1.3
263.07040	2.1
266.08060	1.8
267.06467	2.2
275.07001	2.2
277.08636	2.8
279.06674	1.4
281.08231	1.3
289.08698	1.9
291.06497	1.6
293.08173	4.2
295.09857	1.6
305.08105	3.3
307.09866	1.8
309.07806	1.4
311.09033	3.0
319.09457	1.4
321.07593	3.5
323.09207	1.4
324.76407	1.3
325.10599	1.3
333.11072	1.3
339.08914	1.4
347.09085	1.6
351.08746	1.8
353.10349	5.7
357.09836	1.5
389.12030	1.9
393.09454	1.5
395.10953	2.9
415.44522	1.3
431.18222	1.5
437.12845	1.5
445.20065	2.0
447.10861	1.8
460.22363	2.2
461.23428	2.2
483.14185	2.0
495.13403	1.8
505.11618	1.7
511.13971	3.1
513.15479	2.5
515.16998	3.3
529.14832	2.6
531.16272	1.5
541.15009	9.0
547.26917	7.7
559.16125	12.1
571.15863	3.9
577.17041	8.3
589.17139	7.3
607.17944	23.9
607.28912	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	607.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.0
53.03947	2.2
55.01862	3.9
55.05516	12.3
55.30500	1.0
65.03942	3.0
67.05505	3.9
68.99786	1.9
69.03436	7.1
77.03942	1.8
79.05495	10.7
81.03423	15.1
81.07039	4.9
83.04989	75.3
84.86765	1.3
91.05493	13.6
93.03410	1.4
93.07030	2.9
95.04987	8.6
97.02876	1.3
101.58063	0.8
103.05472	8.3
105.03402	3.4
105.04504	1.5
105.07038	7.6
107.04964	6.2
109.02869	2.1
109.06510	3.9
111.03732	1.5
111.04458	23.0
113.06020	19.7
115.05457	10.8
117.07041	6.2
118.11718	1.1
119.04967	4.6
121.02863	3.0
121.06525	3.4
123.04432	9.4
128.06212	3.6
129.05516	1.4
129.07021	8.6
131.04947	9.6
133.02885	1.5
133.06525	6.0
135.04428	100.0
136.06216	1.0
137.02344	2.2
137.05962	3.4
138.03151	1.3
139.03894	1.1
143.04965	6.3
144.05635	1.3
145.06508	8.6
147.04437	6.1
149.02359	13.5
149.05956	4.8
151.03931	5.1
153.05469	3.3
157.06458	6.8
159.04411	7.3
160.05121	1.4
161.06010	12.0
163.03915	3.2
163.07516	1.5
165.05513	2.4
165.06990	1.3
171.04414	1.6
172.05310	1.2
173.05998	22.5
175.03935	3.9
175.07582	3.3
176.04794	1.0
177.05487	4.1
185.05977	10.3
186.06718	0.9
187.03934	1.5
187.07532	9.8
189.05499	6.5
191.07066	2.3
191.08600	1.1
193.04961	2.7
197.05919	2.1
199.03763	1.1
200.04576	1.2
201.05458	4.8
203.07036	9.3
203.08624	1.7
207.06546	2.7
209.05994	1.5
213.05493	2.1
215.07016	1.5
217.04941	3.6
219.06519	3.2
219.08253	2.3
225.05519	1.5
229.05006	2.7
231.06503	3.2
233.08067	2.6
235.06035	3.7
236.06721	1.9
237.07504	2.0
247.07683	2.1
248.06798	1.5
249.07628	4.0
253.04889	2.4
262.26398	1.1
263.06998	1.8
266.07828	5.3
267.06451	2.1
275.07016	2.4
277.08548	2.5
279.06525	1.7
281.08127	2.1
287.10831	1.2
289.08530	2.0
293.08096	3.9
295.09506	2.7
305.08197	2.3
307.09659	2.6
309.07584	1.2
311.09085	1.6
317.08179	1.4
319.09470	1.4
323.09085	2.2
327.08493	1.2
331.09528	1.3
339.08682	2.9
341.10477	1.2
353.10175	5.8
357.09558	3.1
367.11899	1.5
377.10245	1.5
387.10645	2.7
393.09372	2.3
395.11154	2.4
407.11600	2.4
411.10809	1.1
425.12064	1.0
431.11362	1.3
431.18314	1.6
433.12988	1.6
433.23807	1.9
437.12320	2.1
445.20303	2.8
447.10657	1.2
449.12457	2.0
455.14728	1.4
459.21753	1.8
460.22644	3.1
461.12354	2.6
461.23199	3.3
465.12836	1.1
473.23615	1.2
473.29868	1.1
483.14221	2.8
495.14365	1.4
499.14056	1.1
511.13770	3.2
513.15088	3.2
515.17102	4.0
523.13428	1.3
529.14777	4.8
531.15991	1.9
541.14832	12.6
543.16980	1.1
547.27209	11.5
559.16254	13.3
571.15546	2.1
577.17053	8.4
589.17163	5.3
607.17877	35.8
607.28912	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
54.79520	0.3
55.01844	0.4
55.05507	0.4
65.03934	0.6
66.04716	1.4
67.05515	0.3
68.99785	0.5
69.03445	0.4
69.99022	0.3
71.52605	0.4
72.08165	1.7
77.03944	0.5
79.01829	0.3
79.05499	4.7
81.03403	0.7
81.07045	1.4
91.05493	0.7
92.02634	0.3
94.04173	2.2
95.04987	1.7
97.02863	0.3
98.03635	0.3
105.04501	0.6
105.07034	0.5
107.04944	0.6
109.02885	0.5
109.06541	2.0
121.02850	0.8
122.03643	3.1
126.03127	0.9
135.04411	0.4
137.05989	0.7
138.25659	0.3
139.09935	0.4
154.02652	0.3
155.07047	3.7
159.04498	0.4
161.05920	0.3
165.05484	100.0
166.07841	0.5
173.80858	0.3
179.08665	0.4
181.10086	0.7
209.09682	0.7
227.03470	0.5
237.09116	0.4
279.10162	0.4
394.16638	1.7
396.18433	0.4
489.15518	0.6
532.23492	0.6
560.22809	10.8
588.22321	13.1
612.37823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98576	0.9
58.27241	1.0
67.05495	1.4
69.03432	2.0
69.07059	3.0
69.70194	2.4
69.70609	2.9
70.06589	2.2
71.05026	1.1
79.05486	1.8
81.03405	3.7
81.07066	0.9
85.02902	4.0
86.09703	1.2
91.05488	2.2
93.07035	1.0
94.04169	1.5
95.08603	1.3
97.02869	1.9
97.06548	1.0
109.06474	1.7
109.10121	1.4
115.05457	5.6
117.07069	2.5
122.03644	3.4
125.05950	1.7
129.07022	6.1
131.04927	3.7
137.05994	85.1
143.04959	9.8
144.05682	2.0
145.04996	1.2
145.06497	2.8
147.04420	1.1
151.03900	1.7
151.07526	1.9
153.05492	3.0
157.06496	5.4
160.05208	13.7
161.05966	2.0
163.07533	3.3
172.05170	1.6
174.06784	1.6
175.07564	100.0
185.05896	1.0
187.05881	2.0
187.07558	36.8
189.09138	8.5
205.08618	31.0
205.10593	1.3
211.07661	1.8
217.08640	7.2
219.08028	1.9
231.08043	1.5
235.09682	33.5
239.07133	1.8
247.07576	1.8
248.08304	2.6
255.06512	2.4
263.10672	3.4
270.08792	2.5
271.09589	5.6
279.10043	2.4
291.10135	8.5
293.08380	1.1
309.11154	1.7
311.12735	2.4
323.12830	10.7
341.13837	15.9
409.25729	1.5
453.59888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	0.4
57.07076	0.5
67.05495	0.8
67.53009	0.2
68.44121	0.3
69.07066	0.7
71.08768	0.5
71.09116	0.4
79.05510	0.5
81.07048	0.9
83.08646	0.4
91.05475	0.4
93.07046	0.4
95.08624	1.1
95.10783	0.3
100.54305	0.3
105.07071	0.3
114.62588	0.3
117.06936	0.4
119.08518	0.3
127.91709	0.3
173.92268	0.3
194.08235	0.3
214.85246	0.3
217.36649	0.3
226.74844	0.3
269.24716	0.3
275.20184	0.8
313.27408	0.6
400.17883	0.4
401.17880	0.9
413.17825	1.0
414.18585	1.1
415.19354	3.9
416.19971	2.2
417.20926	0.4
427.19296	0.4
428.20148	1.3
429.20779	7.2
430.21667	3.1
431.22263	1.0
442.21698	0.5
443.22833	4.0
444.23624	6.6
445.24197	3.8
448.26349	0.6
455.18707	0.4
456.19525	0.5
457.20087	1.4
457.24823	0.8
458.25668	2.4
459.21228	1.4
459.25616	2.9
460.22473	0.4
470.21228	0.4
471.22028	1.3
472.22736	3.3
473.23492	4.8
474.24768	1.7
476.22205	0.4
485.23550	3.4
486.24481	1.5
487.25027	20.2
488.25433	1.0
489.23138	0.8
501.23032	0.5
502.23093	0.4
503.24524	1.9
504.25092	0.7
513.22955	0.7
517.26532	2.2
518.23181	0.4
531.24115	0.8
532.24768	0.5
545.25531	17.9
546.26111	3.4
573.24774	2.1
577.28143	0.5
590.25073	0.4
605.27625	100.0
606.27930	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
53.43101	0.5
55.05502	0.9
57.07080	0.5
67.05504	3.2
68.61661	0.4
68.99790	1.6
69.03409	1.4
69.07066	0.9
69.74803	2.1
70.56770	0.6
79.05496	2.7
81.03428	3.0
81.07063	3.5
83.04962	0.5
87.08851	0.5
87.14018	0.4
89.61926	0.4
91.05482	2.0
93.07050	2.2
95.04965	1.8
95.08611	2.7
97.02894	1.2
99.04452	1.3
100.75866	0.4
105.07028	1.4
107.04955	0.9
107.08592	1.3
107.12356	0.5
109.02882	1.4
109.06536	2.4
109.10148	1.2
111.04407	0.6
117.80726	0.4
119.04929	1.7
119.08605	0.9
121.10162	0.7
123.04443	1.4
123.11649	0.6
127.03907	0.6
131.08505	0.6
133.10184	0.8
135.11737	1.1
137.05977	9.4
139.11288	0.6
141.04401	0.9
141.05479	14.6
145.10123	0.7
147.11737	0.8
149.13219	0.5
151.11160	0.4
159.11746	0.6
161.13310	0.5
165.05490	22.3
173.13254	0.7
183.06548	100.0
184.06714	0.5
195.06499	0.6
207.06580	0.6
225.07597	0.9
243.21222	0.5
261.22296	0.9
269.13550	0.5
273.07352	0.5
274.54559	0.5
275.20050	0.7
291.08704	0.6
336.45663	0.5
605.40344	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	605.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
56.05030	0.5
57.07070	1.0
58.06604	100.0
67.05509	0.7
69.03427	0.7
69.07101	0.3
70.00983	0.4
70.01316	1.6
71.08644	0.6
81.03442	1.1
81.07074	1.2
83.08630	0.4
85.02921	1.4
85.10188	0.4
87.36893	0.4
95.08625	1.1
98.20788	0.4
98.21352	0.8
105.07059	0.6
109.02914	0.7
109.10220	0.5
114.75602	0.3
115.05494	1.7
117.05795	0.7
132.08073	2.4
151.07526	0.5
160.07590	27.3
162.09196	0.4
165.05496	1.2
205.13411	1.6
250.32034	0.4
474.39444	0.5
560.35718	4.6
605.20477	1.7
605.41650	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01884	2.4
55.05510	2.2
57.07065	1.8
65.03922	2.3
67.05527	4.0
69.03446	11.4
70.11586	3.1
70.11990	6.2
71.04982	1.8
73.02926	2.0
74.70127	1.5
79.05070	1.8
79.05492	7.9
81.03423	8.3
81.07062	4.9
83.04991	19.7
85.02917	12.9
85.06550	2.5
87.00791	2.4
91.05479	14.3
93.07054	10.6
95.04974	2.7
95.08640	1.9
97.02895	14.1
97.06548	2.3
99.04456	2.5
102.66214	1.7
103.05494	14.3
105.07037	9.9
107.04948	2.5
107.08598	23.2
109.02899	11.1
109.06530	7.2
109.10161	2.3
109.95110	1.7
111.04482	2.3
115.05445	2.4
117.07033	5.9
119.04929	6.1
119.08593	12.5
121.02835	1.8
121.06519	25.4
121.10172	3.2
122.03696	2.3
125.06003	1.8
127.03918	7.9
127.07582	2.5
128.06187	3.0
129.07025	3.4
131.04948	24.4
131.08588	9.7
133.02841	3.2
133.06454	1.8
133.10139	5.8
135.04430	2.0
135.08073	54.1
137.05983	31.4
143.08569	4.3
144.09314	5.0
145.04942	1.9
145.06493	6.4
145.10143	7.3
146.07312	1.6
147.04413	11.5
147.08044	5.2
149.06029	2.4
149.09616	7.1
151.03929	19.5
151.07643	2.9
155.08542	2.1
157.10071	3.4
158.10934	3.8
159.08061	7.1
159.11731	15.0
161.05994	4.8
161.09583	5.2
161.13248	2.1
163.03967	1.9
163.07556	25.0
164.13171	2.1
168.09375	2.9
170.10870	3.0
171.08118	2.5
172.08813	6.3
173.06003	2.4
173.09642	11.7
173.13269	25.8
175.07564	4.5
177.05478	2.5
179.07027	5.5
181.06398	2.0
183.11816	2.3
186.10426	15.5
187.07530	4.2
187.11211	38.3
189.09143	2.6
189.12772	1.9
191.07047	31.1
201.12755	39.5
203.07014	4.0
203.14403	3.1
205.12299	15.3
211.11230	6.6
212.29218	1.8
219.13797	22.1
221.45522	1.8
229.08739	3.1
229.12257	55.2
233.08000	2.1
236.93098	1.8
247.13322	100.0
259.03806	1.8
277.08704	1.9
296.03766	2.2
321.11087	2.0
373.16425	11.1
391.17490	33.8
409.18839	3.8
419.14499	2.1
587.25055	13.4
605.25623	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	605.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01882	4.4
61.02941	0.9
65.03930	1.6
67.05495	2.4
69.03422	3.2
69.07072	6.0
71.52399	0.8
71.52808	0.8
79.05474	1.6
81.03426	12.2
81.07057	2.0
85.02909	8.0
91.05477	2.4
93.03392	0.9
93.07063	1.4
94.04189	1.6
95.04971	1.7
97.02890	1.9
103.05487	0.7
105.07033	1.3
106.95468	0.7
107.04956	1.3
107.08541	1.0
108.02068	1.9
109.02854	1.2
109.06525	2.8
111.04465	1.9
112.99982	0.7
115.05461	2.4
117.07014	2.1
119.04932	2.6
119.08581	1.1
121.06505	1.0
122.03658	3.2
123.04395	1.2
125.05974	1.0
127.03941	2.0
128.06227	3.5
129.07021	12.2
131.04935	3.6
131.08617	1.6
137.05989	65.3
138.06245	0.9
141.05479	2.3
143.04950	4.6
145.04987	0.8
145.06500	3.1
147.04420	2.2
147.08069	3.0
151.03917	100.0
151.05002	7.5
153.05461	3.0
157.06499	13.1
159.04398	1.4
159.08098	0.8
160.05188	1.9
161.05995	3.0
161.09639	2.5
163.07605	1.7
164.07065	0.9
164.99483	0.8
165.05499	2.7
165.08975	1.0
167.06987	0.9
171.04431	3.4
171.08200	0.8
173.05991	1.2
174.06766	4.5
175.07556	7.6
177.09123	2.1
179.07024	5.5
179.13567	0.9
187.07579	3.3
188.04663	1.7
189.09116	17.0
191.07048	8.6
191.08597	1.2
203.07036	46.5
205.08630	9.9
205.12192	1.2
215.07034	2.9
219.08131	2.0
221.08116	8.5
233.08101	18.8
234.06789	0.9
235.07532	1.3
235.09665	1.5
247.07394	1.3
251.08978	3.9
261.09119	2.1
263.07129	1.0
264.07843	1.0
277.08719	1.7
279.10254	2.8
285.07822	1.1
286.08374	3.4
293.08130	0.9
295.09802	2.2
306.08963	1.0
307.09628	5.6
309.11380	1.5
311.12772	2.2
312.10071	1.3
321.11191	6.1
327.12268	11.4
339.12283	14.3
341.13821	1.3
345.13409	3.7
357.13364	27.0
359.14990	2.4
375.14423	13.5
395.18707	1.0
425.19595	5.6
427.21429	1.1
443.20862	4.2
569.29266	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51924	7.0
66.62736	6.2
67.05505	15.7
69.07064	8.1
71.52602	7.8
79.05499	16.6
81.03404	10.9
81.07058	10.9
83.04988	10.0
86.31236	6.8
91.05516	13.5
97.09264	6.4
105.07014	7.6
107.08522	7.8
107.17941	7.5
109.02856	8.7
117.07048	8.2
119.08620	8.2
121.06532	10.0
127.02268	6.5
128.06238	11.8
131.04951	14.9
135.04396	11.7
137.05972	9.6
139.08661	7.8
145.06485	28.0
146.07277	11.5
147.04373	12.9
151.03906	27.6
151.07549	59.4
152.14430	7.1
157.06424	16.0
159.04373	8.0
159.08047	9.5
160.08817	42.0
161.05984	19.7
162.09131	9.7
165.01894	13.1
165.05496	76.7
167.03462	12.5
171.04436	10.8
173.05962	20.9
174.06772	9.8
175.03906	19.1
175.07562	23.9
176.08334	22.4
177.09093	18.5
185.06032	13.4
187.07513	13.9
188.08287	15.5
189.09129	61.2
189.76303	6.1
191.10655	51.5
199.07536	7.3
201.05545	7.4
201.09116	32.1
202.09784	11.7
203.10851	8.1
213.09119	16.3
217.08560	12.0
219.08109	10.4
219.10185	75.9
230.15318	7.6
239.10672	9.3
247.07512	8.9
251.06955	11.4
253.08606	7.6
253.12199	8.3
263.07138	8.3
263.10590	10.8
267.10144	11.1
277.08566	12.4
279.10178	26.6
290.09229	8.4
291.10196	19.4
292.19144	43.3
293.08139	9.8
293.11594	7.6
293.19434	14.0
306.09021	7.8
307.09717	19.2
308.10373	7.4
309.11328	16.5
321.11240	18.5
325.10754	8.8
337.10760	27.9
339.12372	7.3
348.22021	13.5
349.10669	8.9
351.12317	18.4
368.12500	10.2
431.12714	8.9
449.13806	13.1
461.13409	10.1
472.34637	7.6
479.14664	10.5
491.14951	12.1
497.15674	34.4
509.15894	45.6
527.17035	18.2
539.16583	9.3
557.18292	20.7
604.45465	39.1
605.20313	100.0
605.46606	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.01869	2.0
55.05489	1.7
57.26079	1.1
64.93382	1.1
66.04716	1.1
67.05521	2.3
69.03417	1.1
69.07071	1.3
71.88293	1.0
79.05505	5.6
79.31519	1.0
81.03432	5.6
81.07066	1.3
83.04990	3.8
90.44545	1.1
91.05503	3.6
94.04230	1.4
95.04993	2.5
98.21597	2.2
101.79645	1.2
103.05508	1.3
105.07041	2.5
107.01347	1.3
107.04942	2.1
109.06517	2.8
113.06012	2.2
115.05495	1.9
117.07025	1.4
121.02899	1.6
121.06511	1.8
121.82841	1.1
122.03669	2.4
123.04492	1.6
128.06363	1.2
129.07060	1.5
131.04956	2.3
131.08556	1.5
133.06509	1.1
135.04453	2.0
136.05214	1.7
137.05981	2.0
139.07623	1.2
145.06514	4.2
146.07327	2.5
149.05933	1.1
151.03940	4.6
151.07552	21.6
151.08675	1.7
155.07126	1.4
158.07291	3.5
159.04424	1.3
159.08072	3.9
160.08882	8.0
161.06036	3.1
165.01874	2.1
165.05487	73.5
167.03416	1.8
173.06003	3.5
174.06799	3.4
175.04002	4.9
175.07555	3.6
176.08363	3.2
177.09152	5.1
181.06413	1.2
186.06795	1.6
187.03873	1.3
187.07623	3.0
188.08356	2.0
189.05511	2.7
189.09149	12.2
191.03342	1.3
191.10658	9.9
192.04211	1.6
195.08350	1.2
198.06883	1.3
201.05542	2.8
201.09200	4.2
203.10727	1.5
204.07794	1.4
217.08582	7.8
218.09383	1.3
219.10156	20.5
229.08699	1.2
229.56781	1.3
235.07722	1.3
247.07591	1.6
263.07217	1.3
265.08682	2.2
267.10275	1.7
277.08835	1.7
279.10202	3.3
293.08084	2.2
295.09866	1.3
307.09689	3.5
309.11276	1.6
321.11206	2.6
336.09964	1.1
337.10864	2.5
351.12354	1.6
385.12531	1.4
479.14899	2.4
497.16074	2.5
509.16156	3.0
527.17291	2.7
575.19507	1.6
602.91113	1.6
605.20239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.3
55.01868	3.9
59.35072	1.1
65.03945	1.8
69.03468	1.0
71.52531	1.0
79.05483	1.2
79.55817	1.1
81.03429	1.9
91.05493	2.8
98.22844	0.9
103.05431	1.5
105.07043	2.5
107.04929	2.5
109.02885	3.3
111.54784	1.0
115.05455	5.5
116.06265	1.3
117.07016	2.5
118.63420	1.0
121.06580	1.6
128.06233	2.0
129.06998	3.9
131.04929	4.5
133.02795	2.0
133.06494	2.7
135.04417	5.0
137.02356	3.1
137.05975	3.4
141.06917	1.6
143.04922	4.7
144.05713	2.6
145.06488	19.6
146.07254	4.2
147.04385	2.0
149.02353	1.2
151.03961	5.2
151.07553	16.1
153.07051	1.3
157.06465	6.2
158.07323	5.8
159.04399	4.7
159.08057	14.0
159.10191	1.1
160.05186	2.9
160.08852	4.4
161.06000	13.6
162.06781	3.1
163.03894	6.9
165.01823	5.4
165.05504	3.8
165.07002	2.3
165.09193	1.4
167.03377	2.2
169.06519	1.8
171.04439	6.2
171.08147	1.7
172.08858	4.3
173.06012	19.3
173.09601	2.1
174.06842	5.7
175.03984	6.1
175.07562	7.9
176.08331	14.2
177.09122	10.0
179.07033	3.6
181.06505	2.4
182.07277	2.9
185.05980	6.6
186.06810	2.6
187.03868	1.5
187.07536	7.4
188.08330	8.9
189.09122	100.0
190.09830	2.9
191.03387	8.4
191.07053	1.5
191.10597	5.8
192.04169	4.5
193.04971	6.3
193.06425	1.8
195.08073	3.2
196.08823	2.2
197.05966	4.4
198.06789	1.2
199.07544	3.5
200.08331	1.2
201.05428	1.7
201.09106	24.7
202.09857	4.4
203.07053	1.6
203.08842	1.8
203.10684	14.7
205.06548	1.0
205.08557	2.2
208.08783	2.7
209.09634	1.9
211.07544	4.3
212.08316	1.9
213.05547	1.6
213.09109	7.6
214.09935	2.5
215.07004	1.6
215.10696	5.6
216.07765	1.6
217.08600	4.4
218.09245	1.8
219.08076	5.9
219.10184	8.8
219.89702	1.1
220.08830	2.9
221.05989	2.8
221.09616	1.0
222.06696	1.3
223.07573	3.8
224.08406	1.9
225.05400	2.2
225.09142	2.4
226.09923	1.7
227.07051	1.5
229.08554	2.0
231.06432	1.4
231.08200	1.1
231.10147	12.4
232.08893	1.9
235.07513	3.7
236.08351	1.7
237.09105	2.3
238.09886	1.9
239.07042	2.9
239.10670	7.9
240.07916	1.2
241.08588	5.5
243.10013	1.2
246.06671	1.3
247.07521	5.7
247.09671	1.2
248.08325	3.1
249.09116	4.6
250.09892	2.0
251.06955	1.8
251.10612	5.9
253.08600	3.7
253.12270	1.1
254.09296	1.5
255.10118	3.4
257.07999	1.8
259.07532	1.3
261.09061	1.3
262.09848	2.8
263.07047	4.1
263.10748	7.4
264.07822	3.2
264.11438	1.8
265.08456	5.0
265.12347	1.3
267.06598	3.0
267.10153	5.3
269.08020	1.1
275.07007	3.4
276.07739	2.1
277.04715	1.6
277.08618	4.5
278.09372	2.1
279.06827	1.9
279.10153	10.7
281.08054	1.3
281.11682	2.1
283.09808	1.4
287.06781	1.3
289.08853	1.2
290.09424	2.7
291.06949	2.0
291.10205	7.0
292.10956	1.7
293.08084	5.3
293.11652	3.4
294.08713	1.5
295.06152	1.5
295.09613	3.1
303.06741	1.4
303.10052	1.4
305.08023	3.6
306.08749	2.7
307.09619	12.8
308.10388	3.6
309.07773	1.4
309.11108	5.2
319.09732	4.7
320.10492	3.3
321.07571	5.4
321.11243	10.4
323.09079	4.0
323.12454	1.2
325.10654	1.9
335.09174	3.4
337.06827	2.0
337.10675	17.6
338.11227	2.6
339.08557	1.4
339.12219	5.9
346.31274	1.3
347.09512	1.2
349.10779	3.5
350.11340	2.2
351.08490	3.9
351.12265	10.3
355.11823	1.5
365.09860	1.2
367.11847	8.2
368.12570	9.2
369.09769	1.5
369.13483	12.2
381.09665	2.0
385.12784	2.6
386.13464	1.3
411.10455	1.6
417.11179	2.5
431.12585	2.9
433.14600	1.3
437.13510	1.2
449.13797	6.5
451.15271	3.5
461.13705	1.5
467.04501	1.1
467.14819	4.1
478.13962	1.7
479.14911	11.7
481.16553	5.1
491.14767	4.6
493.16260	2.5
497.15866	15.1
509.15991	19.5
511.17334	2.9
515.16980	1.9
521.16064	2.1
527.17053	10.4
529.18750	1.4
539.17120	7.4
541.18347	1.8
545.17834	1.8
557.18176	13.0
569.17944	2.9
575.19110	1.6
587.09900	1.2
587.19183	19.2
605.20892	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41956	1.6
55.01869	5.9
58.06609	7.1
58.06844	1.4
67.05486	1.9
71.52692	2.8
80.65633	1.3
88.10919	1.3
91.05510	3.2
97.02907	1.4
105.07105	2.0
105.60072	1.9
107.04935	2.4
109.02889	3.7
111.04450	1.6
115.05508	7.2
117.07030	2.3
121.06489	1.9
123.04459	1.5
128.06297	3.4
129.06992	4.5
131.04907	4.6
135.04387	2.5
137.02328	4.3
137.05981	2.7
141.07002	2.6
143.04941	5.9
143.08650	2.5
144.05725	2.7
145.06496	19.1
146.07263	4.2
147.04422	3.6
151.03918	2.8
151.07567	20.0
157.06522	9.6
158.07289	5.6
159.04462	7.7
159.08083	7.2
160.05264	3.0
160.07549	2.5
160.08920	2.1
161.06044	5.9
162.06738	3.2
163.03870	6.6
165.01852	8.5
165.05598	1.6
165.06992	1.6
167.03441	1.5
169.06487	2.0
171.04414	5.2
171.08046	2.2
172.08882	10.6
173.06006	22.1
173.09566	1.4
174.06773	4.7
175.03940	3.3
175.07544	10.4
176.04677	4.0
176.08383	4.5
177.09145	9.1
178.07826	1.7
179.07082	3.5
179.08565	1.6
182.07256	2.3
183.08086	2.4
185.06009	5.7
187.07524	9.9
188.08347	14.8
189.09135	100.0
191.03424	3.0
191.10770	2.9
193.04984	6.1
195.08002	2.1
196.08875	2.1
197.05954	4.7
199.07544	3.0
200.08376	3.1
201.05321	2.6
201.09132	38.8
202.09811	3.8
203.10674	31.6
209.04312	1.6
209.09653	1.7
211.07574	4.1
212.08302	3.3
213.05534	2.3
213.09106	6.0
215.07034	3.0
215.10701	8.3
216.07829	2.3
216.72592	1.7
217.08661	1.6
219.08101	4.4
219.10184	3.2
221.06026	3.0
221.11818	1.6
224.08275	2.3
225.05507	2.7
225.09190	3.2
226.10033	2.1
227.10718	4.3
229.08623	4.8
231.10184	24.8
235.07536	3.2
238.09886	2.0
239.07001	4.5
239.10724	5.5
241.08617	6.5
241.12158	1.8
247.07610	2.1
248.08252	2.0
249.05501	2.0
249.09047	3.0
250.09846	2.3
251.07066	3.1
251.10745	1.9
254.09377	2.3
255.10146	3.5
263.07095	1.7
263.10754	4.6
264.07858	1.5
264.11499	1.6
265.08591	3.5
265.11932	1.9
267.06555	3.8
267.10138	4.9
269.08087	1.5
271.09848	1.9
275.07156	3.3
275.10596	1.7
277.08719	3.9
279.06769	2.0
279.10065	3.6
281.11868	4.1
283.09653	2.0
291.06888	1.7
291.10110	4.9
292.07306	2.0
292.10855	2.8
293.08118	6.3
293.11572	2.6
295.06091	1.6
295.09915	2.1
303.10092	1.6
305.07858	2.0
307.09613	3.6
308.10373	2.0
309.07779	2.4
309.11264	3.6
311.12848	1.9
319.09671	3.5
321.07507	8.3
321.11258	6.0
322.08011	1.6
323.09207	2.7
325.10870	2.6
333.11215	1.7
335.09061	2.2
337.07016	3.3
337.10764	5.8
338.11438	3.2
339.12302	4.9
350.11569	2.6
351.08527	2.8
351.12476	2.3
353.10242	1.9
355.12244	2.6
367.11731	5.3
369.09683	5.3
369.13559	3.4
381.09689	4.6
385.12845	2.5
411.10385	2.0
429.12057	2.0
451.15460	4.7
461.14011	2.2
479.15039	12.6
481.16199	2.7
485.15768	1.8
497.15833	8.9
509.15897	6.0
511.17474	2.9
515.17084	1.8
527.17102	8.2
539.17139	11.0
545.17883	4.2
557.18048	10.6
575.19128	2.2
587.19324	14.4
605.20648	19.2
605.40912	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	604.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.0
55.01874	7.2
55.05518	75.6
57.03437	26.4
57.07082	20.5
59.05006	38.8
65.03940	3.0
66.18435	2.4
67.05511	59.5
69.03428	4.8
69.07075	52.2
70.25984	7.7
71.01362	2.3
71.04990	15.9
71.08640	11.1
79.05500	24.4
81.03421	7.3
81.07059	31.5
83.04986	8.5
83.08147	4.2
83.08626	56.3
85.02931	2.4
85.06561	2.4
85.10187	5.8
87.04477	46.2
91.05490	8.0
93.07054	13.5
94.40450	2.0
95.04979	4.4
95.08630	12.6
95.41015	2.2
97.06525	2.3
97.10179	67.4
99.04467	31.9
99.08060	2.0
105.03400	5.0
105.07062	3.6
107.04962	2.9
107.08592	19.8
109.10166	38.9
111.04477	3.2
111.08078	5.3
111.11736	11.3
115.77322	2.1
119.08590	6.8
121.06504	2.5
121.10152	8.2
123.08071	2.8
123.11602	3.1
125.09630	26.4
130.08688	2.7
134.42882	2.3
135.08040	3.0
135.11740	5.5
137.09682	3.0
143.10693	2.9
145.10222	2.3
153.12827	3.1
163.11177	4.4
173.09633	2.9
173.11763	14.8
181.12170	2.1
189.11244	3.4
191.10547	2.8
199.13290	33.5
209.11780	4.1
227.12781	6.7
229.14389	46.3
237.22113	4.1
241.14359	5.2
257.13843	5.2
291.19882	2.6
311.25836	100.0
314.06296	3.0
315.18158	13.2
333.19238	4.1
339.25299	4.3
435.34735	8.2
453.35831	40.4
465.35815	47.3
551.39136	6.8
569.40533	7.2
604.46051	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65062	5.5
53.03941	21.2
55.05503	29.4
57.03424	10.7
63.85925	6.6
66.10531	6.1
66.51256	5.8
67.05517	83.3
68.76297	5.9
69.03436	40.0
69.07063	24.0
70.64337	18.7
71.04983	13.2
74.01178	5.3
79.05487	68.7
79.67667	5.7
81.03426	80.6
81.07069	100.0
83.04987	11.5
83.08608	26.1
84.04506	7.8
85.02891	26.0
85.06577	8.6
91.05493	45.0
93.07056	95.6
95.04977	18.7
95.08623	69.6
95.26530	6.7
97.02897	41.4
97.06533	9.7
99.04420	10.4
99.08025	6.8
105.07048	40.2
107.04977	13.0
107.08592	37.8
108.04485	23.2
109.02856	19.3
109.06505	9.9
109.10174	33.0
111.04453	12.8
111.08054	6.7
117.07040	19.7
119.08578	40.1
121.06470	12.6
121.10161	42.9
122.95042	6.7
123.04469	9.0
123.11717	12.4
126.05533	10.9
127.03922	19.1
129.06956	16.8
131.08592	32.7
133.10153	30.9
135.11696	33.2
143.08528	16.1
144.06538	8.0
145.10133	28.9
147.11696	19.2
149.13261	10.3
157.10104	7.8
159.11711	27.7
161.13261	17.5
163.14816	7.4
169.10240	6.7
171.11737	6.8
173.13237	15.0
183.11676	7.8
185.13297	11.8
187.14859	9.0
199.14734	8.0
209.13191	8.5
241.19310	8.0
243.21080	8.6
254.07668	6.5
259.20651	9.3
261.22134	19.3
273.21820	6.6
275.23459	7.0
291.22980	8.8
303.23315	11.1
315.23007	11.3
327.23175	15.5
341.24670	10.1
351.23413	11.4
369.24207	22.6
387.25327	28.0
405.26379	30.0
422.29135	6.8
525.45886	7.8
604.38660	10.1
605.39740	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	604.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.4
55.05517	34.4
57.03453	6.7
67.05511	81.9
69.03443	32.4
69.07056	21.0
69.22328	13.4
69.22736	34.9
71.05005	9.7
79.05501	67.5
81.03429	60.4
81.07061	87.2
83.04977	8.6
83.08622	12.4
85.02926	25.4
91.05498	62.1
93.06478	9.1
93.07045	84.3
95.04967	15.5
95.08622	65.0
97.02895	28.8
97.06529	8.8
99.04462	10.3
105.07056	53.1
107.04975	11.3
107.08610	52.5
109.02897	17.5
109.06551	10.9
109.10178	33.1
111.04445	8.5
111.08115	5.1
115.03947	5.6
117.07040	25.8
119.04958	25.5
119.08612	44.1
121.10160	41.6
123.08086	6.0
123.11709	12.6
124.97623	5.3
125.09601	5.6
127.03889	6.1
128.06248	7.4
129.07014	13.9
131.08582	34.9
133.06456	7.3
133.10144	26.8
135.11702	26.9
143.08578	14.6
145.10164	28.7
147.04431	100.0
147.11699	16.0
149.13225	6.1
155.08562	6.5
157.10255	5.2
159.11729	19.7
161.13292	15.4
171.11719	16.1
173.13237	19.3
177.12695	5.3
181.10072	4.9
183.11623	8.7
185.09676	5.8
185.13203	7.1
187.11282	6.4
187.14906	11.1
197.13242	7.9
201.16408	7.2
225.16429	5.8
259.20621	11.4
261.22147	14.5
277.21716	11.1
279.71164	6.0
303.23175	10.3
327.23056	9.5
341.24576	13.0
351.23163	13.2
369.24390	32.3
387.25378	31.2
405.26398	34.6
423.27441	10.2
604.38733	5.9
633.55048	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	604.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02186	0.1
53.03946	0.3
53.16441	0.1
55.01871	0.2
58.06594	0.4
60.04525	0.2
65.03936	0.8
69.03436	0.5
69.48472	0.3
69.48866	0.9
70.06595	0.7
72.08128	0.2
74.77866	0.1
81.03419	2.2
82.06585	1.0
84.08149	0.8
85.02911	0.7
86.09739	0.2
88.04006	0.3
91.05486	4.3
92.05910	0.2
93.03403	0.7
95.04982	0.2
97.02898	0.3
99.04499	0.2
104.44144	0.1
105.07021	0.2
109.02876	2.1
116.07098	0.4
117.07040	0.2
119.04958	11.0
121.02873	1.5
124.07649	0.3
127.03933	0.4
128.06223	0.3
128.07098	2.0
129.07045	0.9
145.06473	0.9
147.04422	42.2
148.04778	0.3
151.03940	0.9
157.06490	0.4
161.05983	0.6
162.06799	0.4
163.03923	1.9
165.05495	1.6
173.06004	6.7
175.03925	21.0
175.07460	2.3
176.04309	0.2
177.05531	1.5
181.05016	0.4
185.05980	0.6
186.09166	0.2
187.07547	0.2
189.05466	0.4
189.09290	0.2
190.06210	0.3
191.07054	1.9
193.05003	0.3
199.06325	0.2
201.05492	10.5
203.07071	1.6
205.04967	0.5
205.08566	0.4
214.08649	1.9
216.10190	1.3
219.06551	1.5
229.04982	3.5
232.09709	40.3
233.10085	0.2
247.06061	3.1
276.08566	0.2
278.10254	100.0
279.10596	0.7
291.08652	2.0
296.11322	16.7
306.25119	0.2
309.09872	1.3
586.19232	14.8
603.88757	0.2
604.20349	3.7
604.29120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
53.03949	1.0
55.01884	0.7
57.03430	0.7
58.02962	0.4
58.22682	0.3
61.02917	0.9
66.23199	0.3
67.05511	0.6
68.99778	0.3
69.03433	1.9
69.07070	0.4
69.53481	1.9
70.06602	0.6
72.08171	0.4
73.02917	0.4
77.03941	0.5
79.05506	1.0
81.03431	1.4
81.07073	1.0
83.04975	0.4
84.08131	0.5
85.02911	7.4
86.09704	0.4
87.00811	0.3
91.05506	1.1
91.72572	0.3
92.18397	0.3
93.07045	1.1
95.04986	1.1
95.08618	0.4
97.02892	2.2
99.04436	0.4
103.04014	0.4
103.05460	0.4
105.03403	16.6
105.07048	0.8
107.08585	0.8
107.67280	0.3
109.02891	1.2
115.05447	0.9
117.07035	1.9
118.06513	0.4
119.08591	0.5
121.10155	0.5
123.04449	2.9
123.11732	0.6
127.03936	1.7
129.07079	0.5
130.06557	2.0
131.04930	0.7
131.08600	0.5
132.08031	0.4
133.10136	0.9
135.04414	0.7
135.11711	0.3
136.07596	5.5
137.06001	1.1
139.03932	2.9
139.31392	0.3
141.40343	0.3
143.04871	0.3
143.07339	6.7
143.08437	0.3
144.08099	100.0
145.02890	0.5
145.04980	1.0
145.06497	0.5
147.04446	0.8
148.07628	0.4
149.06039	0.4
151.03943	3.6
151.07532	0.4
155.06071	0.4
155.07285	0.4
156.08118	6.0
157.08893	6.8
157.10127	0.3
158.09680	15.5
161.06041	0.4
162.09125	1.6
163.03862	0.5
165.05489	0.9
165.09192	0.3
167.07310	0.8
168.08113	4.6
169.45467	0.3
175.07553	0.4
177.05536	1.2
181.05013	0.3
182.09706	0.4
184.07603	0.8
186.09164	53.8
187.07597	1.5
189.05450	0.4
198.09233	0.4
200.10689	0.5
201.09152	1.0
205.04912	0.4
207.06534	0.6
207.82483	0.3
210.09193	1.0
222.09180	0.4
228.10245	0.5
233.08322	0.8
234.09323	0.3
236.10800	1.5
248.10886	1.6
252.10226	0.8
260.10507	0.4
268.85529	0.3
270.11246	0.8
271.13400	0.7
279.14957	56.2
280.15027	0.4
282.43335	0.3
285.07614	0.4
288.12277	1.5
290.11932	0.4
291.08588	1.0
303.08719	1.2
306.13522	0.5
321.16013	34.1
337.10663	0.7
345.16043	0.8
355.11813	0.5
387.17093	0.7
405.18173	0.5
423.18729	1.4
441.20267	2.2
528.11658	0.3
578.88300	0.3
603.29102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01868	1.9
55.05512	8.2
57.07067	1.4
58.99595	9.9
61.46629	0.7
65.03919	1.1
67.05511	20.2
67.05873	1.0
69.07073	8.9
69.23632	2.9
69.24056	3.3
70.02960	0.8
71.04984	1.2
73.01128	1.2
74.00675	6.0
76.02236	18.1
76.03999	2.3
77.52152	0.6
79.05503	24.9
80.75507	0.7
81.07066	24.2
82.18507	0.7
83.04977	1.9
83.06101	2.3
83.08628	5.8
84.04509	10.8
85.02866	0.9
85.06539	1.2
86.99066	4.1
88.02200	2.2
91.05490	14.6
93.07052	40.5
95.04967	2.1
95.08615	16.6
97.01096	1.2
97.06519	1.0
97.10165	2.7
99.05589	1.6
102.05511	0.7
105.07040	13.9
107.04955	0.9
107.08606	25.8
109.06517	2.0
109.10164	6.3
111.02636	1.2
113.04247	0.8
116.01692	21.6
117.06996	3.2
119.08586	11.6
121.06505	1.7
121.10158	14.2
123.02628	1.3
123.08104	1.7
123.11736	1.5
125.04211	1.5
129.06729	3.1
130.05005	6.5
130.94791	0.7
131.08559	6.8
133.10149	8.8
135.08102	1.5
135.11702	21.4
137.04221	1.4
137.09599	0.7
139.11116	0.8
142.03259	5.1
143.08601	3.6
144.01146	11.2
145.06088	2.5
145.10132	6.4
147.11696	9.4
149.09674	1.0
149.13268	13.7
151.05759	0.8
153.06696	0.8
154.31531	0.8
155.08430	0.7
157.10101	2.3
159.11708	4.6
161.09592	1.2
161.13283	5.9
162.02220	40.6
163.11227	1.0
163.14848	3.0
165.07314	1.0
167.68427	0.7
169.10100	0.9
170.02727	1.7
171.11687	3.5
173.13208	4.0
175.14848	2.3
177.03329	0.8
177.12759	0.8
179.04875	13.8
181.06053	1.4
181.12352	0.9
185.13269	3.1
189.12833	1.1
195.13866	1.4
199.14864	1.7
207.13791	2.1
213.16472	1.5
215.05020	0.7
217.31712	0.7
221.15387	2.7
224.16357	1.8
231.04393	1.3
233.05980	1.3
235.16988	1.9
241.19557	3.3
245.05933	3.5
254.69098	0.7
259.20578	8.4
275.20081	3.5
277.21646	100.0
289.16260	1.6
291.17749	2.5
295.22577	1.9
301.21591	0.8
301.54514	0.8
307.17316	2.9
308.09146	4.8
309.18927	5.0
310.57150	0.7
318.24451	1.1
334.21930	2.3
335.20352	2.3
347.16321	0.6
350.39490	0.8
350.57465	0.7
352.22952	4.7
353.21475	0.7
362.21484	0.9
368.52805	0.7
370.24173	23.9
376.36554	0.8
380.22495	0.8
420.22266	1.1
438.23114	7.7
449.72183	0.7
455.25854	16.5
456.24310	5.3
473.26852	37.5
481.27646	0.9
509.26785	1.2
527.27899	11.5
581.29492	0.7
584.30524	3.3
602.17053	1.5
602.31079	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	602.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	4.9
58.06592	2.8
65.03938	0.7
70.06598	16.7
70.63371	1.3
71.08634	3.0
72.08160	1.2
74.77311	0.5
76.82024	0.4
78.39159	0.5
81.07039	0.5
85.67668	0.6
88.07638	21.3
93.07035	0.5
102.09191	13.9
119.67237	0.5
121.02844	0.6
124.63524	0.5
127.02926	0.5
149.02359	31.2
149.03316	1.3
177.05525	0.9
193.04980	40.7
200.20105	43.5
219.06535	1.3
237.07579	12.2
244.22815	1.8
269.04468	1.5
276.53256	0.5
297.04019	1.8
313.07248	1.8
341.06586	9.7
359.07587	5.8
385.09155	19.1
429.11877	23.6
530.79608	0.5
584.28320	1.2
602.29633	100.0
603.29578	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.7
55.01882	3.4
55.05508	6.2
58.99589	7.4
67.05522	17.7
69.07069	10.7
69.45532	2.8
70.06615	2.9
71.53165	3.6
74.00683	5.3
76.02235	14.7
79.05498	24.7
81.07065	29.9
83.06123	3.0
83.08610	6.1
84.04494	11.9
85.02912	3.6
86.99062	4.0
91.05486	19.1
93.07050	42.8
95.08614	23.7
105.07047	15.3
107.04962	3.8
107.08614	29.5
109.10168	9.9
110.14588	2.7
116.01703	15.4
116.07001	3.4
117.07043	6.1
119.08577	13.2
121.10169	15.0
127.05656	2.4
130.05016	7.6
131.08545	4.8
131.48238	2.5
133.10158	10.1
135.11720	25.1
135.37534	2.8
142.03247	3.6
143.08534	3.9
144.01155	8.0
145.06155	4.2
145.10136	7.9
147.11716	12.6
149.13274	13.1
151.03906	3.5
159.11742	3.7
161.13298	4.9
162.02209	37.2
163.14775	3.9
170.02525	2.5
173.13269	4.1
179.04886	8.2
185.13390	5.3
199.14827	3.2
221.15327	3.4
233.06035	4.0
259.20584	8.5
275.20102	3.6
277.21664	100.0
278.21777	2.9
291.17767	3.0
295.22736	3.6
308.09204	5.5
308.47260	3.1
309.18710	4.6
352.22961	3.6
370.24133	27.6
397.45572	2.7
438.23184	8.1
455.25848	15.4
456.24142	7.9
473.26898	45.7
527.27863	13.0
602.31085	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	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76277	2.5
53.03948	8.2
55.05521	19.8
56.05856	2.4
57.07082	8.2
59.05015	4.6
62.10221	2.4
65.03934	5.6
67.05510	34.1
69.03436	16.0
69.07071	26.0
70.10793	7.4
71.05019	3.3
79.05508	40.4
80.05843	4.0
81.07073	40.4
82.07404	4.8
83.04999	26.1
83.08633	16.1
85.06570	6.9
87.04501	3.0
89.41585	2.3
91.05499	69.4
93.07062	80.7
95.04983	22.0
95.08624	42.3
95.62710	2.3
97.06550	17.7
100.16881	2.3
103.05497	7.0
105.04563	2.7
105.07049	92.0
106.07393	9.3
107.04978	3.6
107.08616	81.2
108.08936	6.2
109.06517	12.6
109.10184	33.9
111.08109	7.5
111.11736	3.5
113.09655	7.4
115.05477	9.0
117.07046	25.3
117.69421	2.3
119.06078	2.5
119.08598	100.0
120.08894	3.9
121.06538	12.8
121.10167	79.5
122.10526	3.7
123.08089	20.7
123.11720	10.4
125.06005	2.9
125.09640	15.6
128.06223	15.3
129.07033	31.2
130.07796	11.1
131.08595	48.4
132.08958	4.9
133.06505	5.6
133.10158	69.3
134.10608	3.5
135.08054	18.2
135.11697	20.5
137.09631	8.7
139.11211	7.2
141.07010	10.8
142.07816	28.0
143.08582	52.2
144.09230	9.7
145.06482	3.1
145.10147	81.1
146.10522	5.8
147.08072	14.8
147.11702	28.4
148.12035	3.2
149.09648	17.6
149.13344	5.4
151.07611	4.6
153.07062	5.9
154.07677	3.6
155.08601	22.7
155.10703	10.3
156.09398	24.5
157.10161	70.3
158.10687	9.7
159.08081	13.6
159.11723	45.2
160.08942	3.1
160.12151	7.8
161.09698	17.4
161.13310	7.7
162.10063	2.9
163.11197	8.3
165.07016	5.8
165.09180	9.7
166.07784	4.0
167.08611	13.6
167.10701	59.0
167.12103	3.1
168.09364	7.7
169.10188	35.3
170.10925	12.2
171.08066	3.2
171.11725	45.7
172.12160	7.3
173.09669	9.1
173.13298	26.5
174.10378	2.8
174.13623	4.5
175.11238	14.8
175.14801	12.6
176.11569	3.6
177.12766	3.4
178.07845	2.6
179.08569	11.7
180.09262	4.8
180.38387	2.4
181.10173	20.6
182.10957	12.7
183.11743	26.3
184.12277	7.1
185.09729	6.6
185.13326	24.6
186.13795	3.1
187.11234	9.3
187.14816	11.7
189.12784	7.1
190.13155	5.3
191.08638	2.8
191.14252	6.3
193.10234	12.1
193.11993	2.5
194.10840	11.2
195.11734	25.7
196.12361	9.6
197.09659	3.6
197.13268	28.2
198.13751	5.9
199.11235	8.5
199.14845	17.2
200.15253	3.7
201.12810	10.0
201.16403	6.1
203.14384	10.8
205.10133	4.3
206.10896	5.6
207.11716	18.6
207.13431	3.0
208.12350	11.3
209.13306	28.7
209.15230	5.1
210.10684	3.5
210.13712	5.8
211.11302	4.9
211.14828	18.5
212.15205	5.0
213.12798	8.2
213.16443	4.7
215.14331	9.6
216.14655	2.7
217.15942	7.1
218.10724	3.2
218.16415	2.5
219.11737	6.0
219.13812	3.2
220.12442	4.4
221.13263	18.8
221.15439	25.8
222.13911	6.9
222.15878	3.4
223.11319	3.1
223.14888	24.6
224.15326	4.1
225.12769	4.1
225.16406	11.0
226.17041	2.9
227.14352	4.8
229.15738	3.7
231.11746	4.5
231.17422	3.1
232.12450	4.5
233.13283	6.0
233.15349	32.6
234.13831	5.4
234.15932	7.2
235.14740	8.9
235.16847	3.8
236.15410	3.5
237.16431	9.4
238.17012	3.9
239.14378	3.3
239.17981	6.1
245.13261	6.1
246.13950	4.6
247.14767	8.9
249.16406	8.4
249.57236	3.2
251.18011	10.2
253.19484	4.8
255.17484	10.8
256.17859	12.1
259.14755	5.8
260.15424	3.3
261.16373	8.1
262.16898	3.5
263.18011	5.5
265.19412	6.4
267.17468	3.9
269.18970	8.9
270.19928	2.8
271.20380	4.2
273.18784	3.4
275.17834	5.3
276.18259	3.1
277.19461	4.2
279.17648	3.5
279.20831	4.2
281.19070	5.4
283.20578	9.1
285.18576	3.9
295.20630	4.7
299.20087	7.5
301.21835	5.2
343.24069	3.4
357.25992	2.6
361.25256	3.6
365.24747	4.6
366.25275	3.6
383.26553	2.7
384.26086	3.8
556.92065	2.8
565.40149	5.0
583.41144	11.0
601.42462	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.2
55.05517	19.8
57.07080	18.9
59.04989	5.5
59.21922	3.5
61.18863	3.3
65.03939	3.7
67.05508	35.4
69.03426	13.6
69.07077	23.3
71.04985	6.2
71.23343	4.7
71.23687	6.0
79.05497	34.9
80.05830	3.9
81.03423	9.8
81.07060	56.5
83.04985	22.0
83.08631	20.0
85.06521	10.5
87.04460	5.6
89.06047	34.4
90.06359	5.5
91.05492	61.5
93.07056	83.1
94.07354	5.1
95.04974	28.0
95.08623	44.8
97.06550	10.6
103.05490	8.2
105.07043	89.1
106.07317	6.2
107.04964	7.2
107.08603	71.6
109.06516	14.0
109.10170	39.6
111.08054	6.2
115.05431	8.9
116.06285	4.6
117.07020	24.5
119.08590	100.0
120.08868	8.5
121.06515	11.8
121.08313	3.9
121.10156	75.6
122.10509	3.7
123.08057	19.0
123.11714	13.2
124.08485	4.1
125.09654	14.3
128.06238	16.2
129.07013	20.8
130.07837	9.6
131.08606	42.3
132.08904	4.7
133.06520	6.8
133.07626	3.7
133.08577	13.5
133.10143	55.3
135.08067	20.7
135.11703	26.1
137.09694	8.4
139.11230	5.8
141.06995	10.7
142.07797	28.6
143.08594	47.7
144.09274	8.4
145.06544	4.3
145.10146	74.1
146.10536	6.6
147.08049	13.9
147.11700	21.7
149.09650	19.0
151.07535	7.1
153.07062	4.6
155.08588	17.4
155.10706	5.9
156.09349	23.2
157.10162	63.4
158.10704	12.9
159.08064	17.8
159.11725	38.0
160.12154	4.3
161.09636	18.9
161.13301	9.0
162.09924	3.5
163.11201	10.9
165.06992	6.8
165.09109	12.2
167.08536	11.9
167.10690	54.1
168.09340	6.8
169.10149	26.5
170.10899	9.3
171.11720	30.7
172.11966	3.9
173.09602	8.4
173.13252	23.3
175.11230	12.1
175.14783	15.6
177.11256	7.4
177.12741	6.1
179.08568	6.7
180.09366	5.9
181.10124	15.6
181.12204	8.4
182.10913	8.4
183.11696	23.1
184.12236	3.8
185.13329	19.0
187.11250	7.4
187.14798	9.7
189.12660	8.3
191.14362	6.3
193.10121	11.5
194.10869	5.6
195.11687	22.6
196.12398	12.4
197.13292	31.9
199.11185	4.8
199.14838	12.7
200.15085	3.7
201.12805	5.1
201.16415	7.9
203.14334	8.1
206.10732	6.7
207.11688	19.5
208.12352	7.7
209.13365	26.2
210.13792	6.6
211.11220	5.8
211.14777	13.9
215.14397	7.1
219.11708	6.3
220.12451	7.0
221.13281	11.7
221.15384	33.3
222.15839	4.7
223.14824	14.1
224.15437	6.9
225.12779	4.1
225.16356	9.9
227.14330	4.1
229.15941	6.2
233.13374	5.8
233.15369	26.4
234.15916	4.7
235.14981	9.0
237.16389	10.1
239.17975	5.9
245.12975	6.6
247.14919	4.9
247.17288	4.1
248.15302	5.6
249.16354	5.7
251.17952	6.1
255.17470	10.1
256.17847	5.6
256.49722	4.1
261.16425	6.0
263.17828	5.1
265.19543	7.3
269.18951	14.1
270.19638	5.1
271.20392	5.0
277.19492	5.7
281.18909	5.6
283.20526	4.2
287.20007	4.9
295.20499	8.1
297.22223	4.8
299.20279	4.7
365.24988	6.1
448.94736	4.2
503.37338	9.1
563.14886	4.2
565.40271	4.6
583.41406	15.3
601.27258	6.6
601.43060	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.9
53.03938	6.9
55.01850	2.8
55.05515	22.2
55.54285	1.9
57.03454	2.4
57.07078	9.6
59.05008	3.7
65.03937	5.8
66.30909	2.3
67.05512	34.7
68.05825	3.1
69.03432	14.2
69.07072	27.3
70.06593	3.6
71.04997	5.9
71.08610	2.3
74.27345	1.9
79.05499	33.8
80.05832	2.1
80.06259	3.0
80.27973	1.8
81.03432	5.8
81.07067	46.6
83.04985	18.1
83.08646	12.0
83.57892	1.9
85.02919	2.2
85.06541	5.6
85.10174	1.9
87.04482	4.7
89.06036	7.9
91.04903	3.1
91.05486	60.0
92.05816	3.6
93.07053	76.7
93.07645	4.5
94.04250	1.9
94.07390	6.1
95.04990	19.8
95.08055	3.9
95.08614	43.8
96.08938	2.6
97.06539	13.2
103.05476	4.9
105.04519	4.0
105.07042	100.0
106.07325	3.9
107.04967	3.0
107.08607	71.3
108.08948	5.9
109.06549	15.4
109.10164	40.3
110.10465	2.4
111.08102	6.2
111.11736	3.6
113.09685	5.5
115.05493	9.4
116.06284	3.8
116.07091	7.2
117.07024	22.2
119.04996	3.0
119.08593	98.9
120.08962	7.4
121.06477	11.1
121.10158	78.9
122.10466	5.9
123.08073	17.5
123.11711	9.9
125.06004	5.0
125.09609	13.6
128.06242	9.6
129.07060	20.0
130.07858	9.5
131.08583	43.3
132.08838	2.7
133.06520	5.8
133.08606	5.0
133.10150	55.4
134.10532	2.8
135.08080	17.7
135.11725	17.6
137.09625	11.6
139.11223	5.5
141.06996	9.3
142.07814	26.5
143.08580	45.8
144.09273	8.6
145.06502	5.0
145.10130	76.4
146.10457	5.9
147.08069	10.9
147.11693	21.6
149.09631	21.7
149.13252	3.3
151.07573	5.6
151.11163	4.7
153.06999	5.0
153.09216	2.6
154.07765	3.7
155.08572	19.6
155.10703	5.7
156.09384	23.0
157.10144	56.4
158.10747	9.9
159.08090	19.9
159.11719	44.9
160.12083	6.3
161.09624	15.9
161.13251	10.8
163.11198	12.3
165.07050	6.7
165.09131	15.0
166.07709	4.6
167.08652	11.0
167.10689	56.7
167.12096	2.8
168.09351	8.5
169.10120	33.7
170.10826	9.7
170.28654	2.1
171.08067	3.5
171.11722	37.6
172.12218	6.6
172.82405	2.1
173.09644	8.2
173.13293	23.3
175.11171	12.5
175.14861	12.6
177.09093	2.1
177.11240	2.2
178.07816	2.5
179.08574	11.7
180.09326	5.7
181.10088	16.4
181.12268	4.7
182.10832	9.0
183.08124	2.2
183.11722	31.0
184.12312	4.3
185.09590	4.8
185.13310	21.1
186.10098	2.3
187.11139	5.9
187.14821	12.8
189.12747	7.6
191.10794	2.4
191.14229	4.2
192.09395	4.2
193.10190	12.3
193.11850	2.4
194.10843	8.5
195.11694	22.0
196.08997	2.3
196.12465	9.5
197.13251	23.8
198.13663	4.5
199.11169	9.1
199.14828	12.4
201.12761	5.3
201.16452	7.2
203.10687	2.2
203.14342	9.1
205.10136	2.2
206.10922	6.1
207.11674	20.1
207.13626	3.2
208.12366	8.4
209.13318	25.6
209.15202	2.9
210.10477	2.3
210.13870	5.1
211.11229	3.0
211.14861	14.5
212.15286	2.9
213.12761	5.6
213.16389	7.2
215.14325	5.7
217.10043	2.5
217.15869	6.5
219.11755	4.8
219.17183	2.8
220.12434	6.2
221.13226	12.0
221.15411	32.9
222.13826	5.7
223.14810	13.7
224.15431	5.2
225.12856	4.4
225.16313	11.0
227.14368	4.4
229.15930	3.1
231.11678	4.0
232.12401	3.0
233.13225	6.5
233.15353	29.2
234.13675	3.7
234.15913	4.8
235.14801	10.9
236.15454	4.8
237.16403	5.1
238.16959	2.3
239.14227	2.6
239.18010	5.2
241.15886	5.6
245.13277	5.4
246.13965	4.3
247.14749	7.0
247.17072	3.6
248.15541	3.2
249.16412	7.4
251.17842	4.5
253.19440	3.4
255.17470	7.4
256.17761	5.0
259.14752	4.5
260.15515	2.6
261.16211	4.7
263.17932	5.4
265.19470	4.7
267.17511	3.3
267.21286	2.4
269.19049	7.0
271.20172	2.7
272.15439	2.1
273.16266	2.7
275.17847	4.3
276.18512	2.5
277.19595	3.6
281.18985	5.5
282.19382	3.1
283.20563	5.6
285.18710	3.3
287.20178	3.3
289.19534	2.4
291.20880	2.8
295.20630	7.1
299.20169	3.7
301.21872	2.7
311.20233	3.0
335.23795	3.1
349.25208	4.0
361.25201	5.4
365.24594	2.8
367.26132	2.3
368.35962	2.2
384.26349	2.5
417.27719	2.6
491.35178	3.4
503.37067	3.2
532.79523	2.3
565.40369	6.4
583.41156	9.2
601.27478	3.8
601.36768	8.0
601.41882	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	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.05506	4.6
56.04354	1.2
57.07085	7.6
59.05002	2.6
59.93797	1.3
62.49313	1.0
65.03944	1.6
67.05503	9.5
69.03431	7.7
69.07055	5.1
70.58470	3.3
79.05497	10.6
81.07056	14.8
83.04977	3.2
83.08633	1.8
85.06551	2.5
86.79848	1.1
87.54028	1.2
91.05492	21.3
93.06483	2.1
93.07052	29.4
95.04967	4.9
95.08623	17.8
97.06537	3.0
103.05447	3.1
105.07038	31.5
106.07338	2.5
107.08618	18.9
108.08887	1.2
109.06542	7.3
109.10165	8.3
111.08096	2.8
117.07024	9.7
119.08595	35.4
120.08915	3.8
121.06508	3.9
121.10149	19.4
122.10497	1.4
123.08087	14.2
123.11687	3.2
125.05991	4.6
127.67109	1.2
128.06213	3.2
129.07056	6.2
131.08597	13.6
132.09369	1.6
133.06511	2.4
133.08490	1.4
133.10141	18.3
134.10568	1.9
135.08049	11.9
135.11720	5.7
137.09648	11.6
141.06981	2.5
142.07780	7.3
143.08546	11.5
144.09322	3.0
145.06482	1.9
145.10139	28.8
146.10519	2.1
147.08052	22.1
147.11681	5.4
148.08366	1.6
149.09639	5.3
151.07555	13.8
151.11110	1.5
155.08528	3.4
156.09326	4.0
157.10144	16.4
158.10460	2.9
159.08034	2.5
159.11716	14.3
160.08650	1.5
161.09657	5.0
161.13261	6.2
163.11229	8.6
164.11545	1.5
165.09135	44.0
166.09456	4.1
167.08632	2.0
168.09410	1.7
169.10117	9.4
170.10881	3.9
171.11717	12.0
172.12279	1.5
173.09584	2.9
173.13284	7.6
174.10181	1.8
175.11270	6.5
175.14812	3.6
177.09195	2.8
179.08658	2.0
179.10567	2.0
181.10074	2.0
181.12239	10.3
182.10889	1.7
182.12515	1.8
183.11734	10.5
184.12317	1.5
185.09718	2.0
185.13251	7.6
186.13736	1.7
187.11229	2.9
187.14815	4.4
188.11896	1.5
189.12714	5.1
190.13458	2.6
191.10678	1.5
191.14131	3.6
193.10135	2.2
193.12294	3.6
194.10941	1.7
195.11664	4.1
197.13297	6.8
199.11179	3.4
199.14836	1.9
201.12801	2.2
203.14369	18.1
206.10832	1.9
207.11794	2.5
207.13766	5.0
208.14368	2.0
209.13254	5.8
209.15154	2.6
210.13841	2.0
211.14783	3.1
213.12845	1.6
213.16409	2.4
219.13878	2.2
221.13512	4.3
221.15375	100.0
222.15726	9.3
223.14832	4.3
225.12784	1.5
225.16460	2.5
227.14378	1.5
233.15344	3.4
234.16130	5.2
235.14668	2.5
235.16782	2.1
237.16356	1.9
239.17787	2.4
241.15894	1.9
247.16911	9.7
248.17331	3.6
249.16484	1.7
261.16452	1.5
265.19641	1.9
274.19290	2.7
283.20456	2.2
286.19162	2.1
287.19992	4.1
288.20490	1.5
295.20645	1.5
299.20126	4.0
300.20523	4.6
301.21487	4.9
312.20557	1.6
313.21240	3.8
325.21671	3.6
326.21973	3.4
337.21274	1.4
340.23810	3.7
341.24448	2.7
352.23819	4.2
353.24341	6.5
365.24643	1.7
367.26224	8.3
375.27032	2.0
393.27451	2.3
421.30573	3.0
426.27274	1.9
427.28348	2.7
428.28693	4.2
440.29355	4.1
441.29636	12.3
491.35315	8.3
509.35800	4.8
520.35553	2.1
521.35840	17.0
583.41284	11.6
601.42407	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	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.05512	5.4
57.07085	5.9
59.04999	2.3
65.03957	1.4
67.05507	8.2
69.03421	6.0
69.07081	5.9
69.66248	6.4
77.03941	1.4
79.05491	12.3
81.03461	0.9
81.07067	17.3
83.04976	3.6
83.08646	1.3
85.06540	3.2
91.05487	18.7
93.07052	29.3
95.04428	1.0
95.04982	5.5
95.08608	16.6
97.06534	3.9
103.05486	2.4
105.04510	1.8
105.07035	36.5
106.07344	2.4
107.08596	17.5
109.06522	7.0
109.10156	6.4
111.08097	1.8
115.05421	1.4
117.07023	8.0
119.08591	36.4
120.08866	2.6
121.06499	5.3
121.10152	17.2
122.10497	1.9
123.08098	11.7
123.11709	1.4
124.08453	1.3
125.05978	5.9
128.06239	2.6
129.07025	7.9
130.07808	3.6
131.08572	15.0
133.10143	20.3
135.08087	11.6
135.11722	6.8
135.89828	1.1
137.09622	12.9
141.07022	2.9
142.07813	7.4
143.08566	13.5
144.09311	3.8
145.10144	27.1
146.10536	2.1
147.08049	21.3
147.11703	5.7
149.09628	5.0
150.10435	1.3
151.07553	12.6
155.08543	6.0
156.09349	6.3
157.10141	18.9
158.10654	3.9
159.08075	2.9
159.11707	16.1
160.12125	1.5
161.09631	5.4
161.13292	4.7
163.11205	9.2
165.07030	2.4
165.09128	43.8
166.09456	3.9
167.08589	1.8
168.09380	1.4
169.10133	8.7
170.10741	2.7
171.11697	9.9
172.12236	2.1
173.09647	3.1
173.13271	5.2
175.11209	4.6
175.14850	3.3
176.11526	1.5
177.09157	1.4
177.12801	2.1
179.08658	2.9
179.10655	1.8
181.10075	4.2
181.12224	9.5
182.10895	3.2
183.11682	8.0
184.12218	1.6
185.13303	7.4
187.11211	2.4
187.14799	4.2
188.11691	1.4
189.12796	5.1
190.13303	1.5
191.10608	1.8
191.14197	2.4
193.10199	2.1
193.12315	3.6
194.10878	2.5
195.11731	4.5
195.13947	1.1
196.12462	2.5
197.13264	6.1
199.11230	1.9
199.14842	2.0
200.11636	1.1
201.12688	1.6
202.13298	1.7
203.14386	14.7
204.09415	1.1
204.14714	2.2
206.10991	1.5
207.11746	3.4
207.13841	6.2
208.12288	1.6
208.14383	3.0
209.13283	6.5
209.15186	2.2
210.13840	2.2
211.14874	5.1
212.11774	1.2
213.12755	1.8
213.16380	2.5
220.14236	1.1
221.13451	3.6
221.15376	100.0
222.15720	10.9
223.14738	2.3
224.15375	1.4
225.16458	1.7
227.14157	1.8
233.13248	1.6
233.15451	2.0
234.16180	4.3
235.14796	2.7
237.12814	1.2
237.16376	2.8
247.16983	6.4
248.17307	3.5
251.17805	1.6
263.18066	1.3
269.18994	1.6
271.17249	1.5
274.19379	2.7
275.19785	1.5
279.17273	1.1
281.19162	1.5
283.20578	1.7
287.20032	5.9
297.21878	1.4
299.20105	5.5
300.20697	4.6
301.21689	3.6
311.20129	2.0
312.20825	3.0
313.21469	3.2
314.22174	1.4
325.21561	2.9
326.21875	2.2
339.23068	1.5
340.23865	4.0
341.24347	3.4
352.24063	4.7
353.24289	6.8
360.35931	1.2
367.26303	8.3
375.27066	3.3
377.24579	1.9
388.25244	1.5
393.27832	1.9
413.26556	1.2
414.27335	1.9
420.30179	2.0
421.30774	2.3
426.27612	2.5
427.28305	2.1
428.28979	3.5
440.29044	6.3
441.29520	13.8
491.35199	6.7
509.36285	4.0
520.35504	3.1
521.35968	13.0
583.41595	11.1
586.39441	1.7
601.42389	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.2
55.05503	23.7
57.07072	20.4
65.03978	11.2
67.05508	49.1
69.03409	14.1
69.07056	26.4
71.26400	12.0
71.26751	9.7
79.05517	46.1
81.03403	27.9
81.07066	65.8
81.77428	9.0
83.04985	23.3
83.08649	11.9
85.06553	12.3
89.06027	42.1
91.05486	51.4
93.07049	82.5
95.04980	24.0
95.08620	58.3
97.06554	10.5
105.07041	100.0
107.08595	66.3
109.06510	22.0
109.10151	25.4
113.86936	8.3
115.50830	8.9
117.06977	14.4
119.08599	90.3
121.06547	15.7
121.10158	48.7
123.08047	20.1
128.06189	18.6
129.06995	26.3
130.07681	10.1
131.08591	43.1
133.08604	23.4
133.10124	57.3
135.08031	25.9
137.09612	19.0
142.07802	29.6
143.08527	41.9
145.10158	59.3
147.08037	33.3
147.11703	19.4
149.09650	30.3
151.07564	27.5
155.08560	17.8
156.09357	26.1
157.10127	71.9
158.10834	10.2
159.08109	25.3
159.11710	31.6
161.09669	15.1
163.11115	12.0
165.09140	46.6
167.10664	13.7
169.10138	19.7
171.11693	37.9
173.13298	18.9
175.11189	29.9
179.08644	12.4
181.10097	16.0
181.12219	12.2
182.10890	11.0
183.11748	32.9
185.13290	36.0
187.11299	13.5
189.12704	15.6
190.13524	12.5
193.10222	18.3
193.12218	13.8
195.11745	24.1
197.11618	11.1
197.13274	27.4
203.14383	32.4
207.11702	17.1
207.13766	17.3
208.14484	10.6
209.13245	23.4
213.12762	13.7
221.13391	17.0
221.15381	93.1
233.13278	14.7
233.15379	17.8
234.16183	11.9
235.14812	16.8
237.14900	35.2
253.15909	15.0
255.17499	27.1
267.15878	19.3
279.17340	16.7
281.19037	13.1
286.19305	16.9
287.20126	14.6
297.18729	10.0
299.20071	22.3
303.19543	43.4
313.21539	20.7
325.21442	11.5
337.27466	24.6
352.23959	99.5
365.24695	20.1
400.37225	9.1
415.25345	13.8
520.35443	62.4
529.38702	15.7
544.18933	12.2
600.42358	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	600.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63039	2.5
50.97317	2.9
52.60424	2.5
53.03953	5.4
53.44005	2.6
53.89177	2.6
55.05521	12.7
57.07076	12.8
59.05003	5.1
65.03930	4.4
67.05512	25.8
69.03430	11.8
69.07062	10.5
69.82040	13.6
71.04991	2.9
79.05505	26.2
81.03416	3.2
81.07061	37.0
83.04992	17.2
83.08611	5.6
85.06523	3.6
89.06023	9.9
91.05486	50.2
93.07054	60.4
95.04988	17.7
95.08617	29.7
97.06522	5.9
101.44576	3.1
103.05428	6.8
105.07040	73.4
107.04906	4.0
107.08594	43.2
109.06535	15.0
109.10154	17.2
111.08125	2.5
115.05460	6.3
116.06297	3.0
116.07089	3.7
117.07040	19.3
119.04895	3.7
119.08590	70.1
121.06528	14.4
121.10159	37.4
123.08073	26.6
123.11774	3.5
125.05997	5.6
125.09599	9.0
125.59932	2.5
128.06200	12.1
129.07002	20.3
130.07779	7.1
131.07721	3.5
131.08594	40.1
132.09383	4.3
133.06511	7.3
133.08591	7.7
133.10135	36.3
135.08064	27.1
135.11685	13.6
137.05957	3.0
137.09625	18.0
139.07571	2.9
139.11276	2.7
141.07005	7.5
142.07785	26.4
143.08577	45.1
144.09366	15.2
145.10138	58.0
147.08044	36.8
147.11703	15.0
148.08826	3.5
149.09634	16.7
151.07535	15.6
155.08563	15.9
156.09323	16.2
157.08955	5.2
157.10149	64.8
158.10854	10.4
159.08104	18.8
159.11696	36.3
160.08833	4.8
161.09601	23.7
161.13170	8.5
163.11215	20.4
165.06960	6.4
165.09126	44.2
167.08556	7.5
167.10657	9.8
169.10156	26.5
170.07339	2.6
170.10858	7.4
171.11728	34.4
172.08818	3.6
172.12506	5.3
173.09612	13.3
173.13280	12.3
175.11192	25.6
175.14903	3.4
176.11934	3.3
177.09142	3.0
177.12793	5.0
179.08553	9.0
180.09355	8.4
180.11526	2.9
181.10103	12.2
181.12213	8.4
182.10869	5.5
183.11693	21.7
184.12564	3.4
185.09590	5.9
185.13332	18.1
186.14050	5.0
186.39072	2.7
187.11203	9.4
187.14786	5.6
189.12776	13.1
190.13557	14.1
191.10664	4.0
191.14357	6.5
192.09375	3.4
193.10126	8.0
193.12212	15.3
194.10876	7.7
195.11781	17.3
195.13437	3.6
196.12444	7.3
197.09718	3.8
197.11731	5.5
197.13269	19.3
198.14102	3.8
199.11166	6.3
199.14842	6.9
201.12762	7.9
203.14307	24.0
206.10948	8.4
207.11703	15.2
207.13809	15.6
208.12619	4.5
208.14545	9.5
209.13248	13.0
209.15263	5.3
210.14011	3.5
211.11189	8.9
211.14792	10.4
213.12730	11.0
213.55428	2.8
215.10617	3.4
215.14314	6.9
218.10858	3.5
219.11745	6.6
219.13863	7.5
220.12534	6.4
221.13261	12.4
221.15341	82.9
222.14055	4.0
223.11359	3.6
223.14825	6.3
225.12756	6.0
225.16388	3.3
227.14233	3.8
230.12967	2.6
233.13275	6.8
233.15359	16.0
234.14008	3.5
234.16081	9.0
235.14783	10.1
236.15428	2.8
237.12706	7.5
237.14745	37.3
239.14281	4.6
239.18082	5.7
241.15924	5.7
245.13286	3.8
247.14767	6.2
247.16969	7.4
248.14122	15.3
249.16502	5.0
251.14195	2.9
253.15836	7.9
255.17406	19.4
259.14722	5.7
261.16351	6.1
265.16046	3.6
270.19754	9.6
271.16885	7.3
273.18622	3.4
274.19189	11.8
277.19531	3.8
279.17395	6.9
280.18475	3.2
281.18906	6.7
285.18488	4.8
286.19498	18.1
287.20032	12.1
294.19952	7.0
297.18637	4.1
299.20105	13.3
303.19592	55.8
309.18610	3.3
312.20703	7.5
313.21738	13.8
319.20538	3.4
322.23071	3.7
325.21640	18.1
337.21649	14.1
352.23993	100.0
364.23798	2.9
365.24655	24.5
377.24887	6.5
383.25980	6.1
415.25015	3.8
420.29901	4.0
487.32098	3.9
502.34567	14.2
503.35638	4.3
505.33322	4.9
507.35016	13.7
508.35635	4.3
520.27698	3.5
520.35468	67.0
567.37860	3.5
582.40479	3.6
585.39337	6.2
600.42090	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	3.1
53.03948	8.4
54.19365	2.4
55.05509	18.5
57.07073	9.9
59.04992	3.3
61.80954	2.1
65.03943	5.0
67.05509	31.9
69.03428	12.7
69.07071	20.5
71.04994	7.3
71.38937	5.5
79.05074	2.8
79.05495	33.7
81.07061	44.3
83.04974	19.9
83.08611	12.4
85.06552	6.8
87.04485	2.8
89.06052	4.6
89.25269	2.8
91.05484	66.6
92.06255	2.7
93.06478	4.4
93.07051	67.4
95.04973	28.1
95.08611	37.7
97.06533	16.6
103.05487	4.2
105.07037	100.0
107.04964	3.9
107.08601	72.5
109.06533	23.2
109.10159	37.5
111.08092	7.2
113.09684	3.4
115.05488	8.3
117.07021	27.1
118.07793	2.7
119.04919	2.5
119.08591	91.1
120.09399	4.4
121.06490	14.4
121.10140	50.1
122.07307	2.3
123.08074	33.4
123.11702	4.1
125.09644	14.0
128.06223	20.4
129.07004	30.1
129.09106	2.7
130.07788	10.8
131.08572	54.5
132.09416	5.1
133.06514	7.6
133.10136	51.7
135.08070	20.2
135.11684	13.5
137.09660	12.8
139.07547	4.6
139.11201	5.3
141.06999	15.8
142.07788	44.5
143.08563	60.3
144.09326	16.4
145.06523	2.9
145.10132	85.5
146.07286	3.8
146.10899	5.2
147.08032	19.3
147.11673	27.1
148.08812	2.7
149.09608	21.9
149.13257	3.0
150.10367	2.5
151.07558	9.9
151.11159	4.4
153.07002	7.6
154.07736	4.8
155.08562	26.9
155.10620	15.6
156.09351	29.5
157.10139	81.5
157.16418	2.9
158.10925	12.2
159.08064	26.4
159.11699	52.9
160.08803	7.2
161.09618	19.0
161.13275	10.4
163.11197	10.6
165.06995	11.9
165.09135	10.5
166.07713	4.1
167.08542	14.7
167.10667	23.0
168.09392	11.3
169.10147	35.3
170.10913	13.5
171.08018	4.2
171.11678	52.3
172.08830	3.4
172.12450	5.7
173.09621	11.9
173.13261	29.3
174.13968	3.0
175.11198	18.7
175.14818	7.5
177.09088	2.7
177.12781	4.1
178.07814	4.0
179.08568	19.4
179.10794	3.2
180.09383	7.8
181.10132	27.5
181.12265	4.7
182.10933	15.5
183.11705	33.3
184.12485	7.1
185.09659	7.0
185.13272	29.4
186.14037	6.3
187.11183	11.7
187.14856	9.3
189.12793	9.4
190.13516	6.7
191.08566	3.4
191.10674	2.3
191.14314	6.4
192.09377	5.2
193.10162	18.8
193.11995	3.7
194.10938	14.5
195.11708	32.3
196.12451	14.6
197.09726	3.5
197.13271	37.7
198.10419	3.3
199.11234	9.6
199.14847	15.0
200.15607	2.7
201.12798	9.2
201.16476	2.7
203.08690	4.6
203.14301	17.4
205.10211	5.0
205.12094	3.1
206.10930	8.8
207.11687	22.3
207.13765	6.6
208.12454	8.8
209.13268	32.1
209.15175	3.8
210.10591	3.5
210.14066	10.9
211.11220	5.8
211.14841	26.3
213.12724	12.3
213.16423	5.6
215.14265	12.3
217.10187	2.6
217.12277	2.5
217.15804	4.3
218.10881	4.5
218.16670	4.1
219.11781	8.5
219.13777	3.3
220.12544	6.7
221.13268	20.0
221.15411	31.3
222.14072	8.4
223.11211	4.4
223.14775	17.3
224.15723	3.0
225.12712	9.9
225.16447	8.1
227.14330	10.9
229.15952	4.2
231.11673	5.6
231.17542	3.2
232.12465	4.2
233.13249	8.4
233.15404	27.2
234.14085	4.8
234.16179	8.0
235.14861	18.2
236.15508	4.0
237.12733	4.2
237.16568	17.0
239.14388	5.4
239.17941	3.6
241.15947	5.8
245.13228	3.8
246.13934	6.2
246.16193	5.5
247.14799	10.0
247.17039	4.4
249.13042	2.8
249.16399	15.0
251.14357	3.5
251.18025	9.5
253.16025	5.5
255.17444	44.5
257.19016	3.1
259.14908	6.2
260.15634	2.6
261.16428	9.7
262.17227	3.3
263.17966	8.7
265.16156	2.7
265.19424	5.3
267.17371	2.9
268.18430	5.1
269.19064	8.3
270.19785	11.4
271.17194	4.0
273.18588	9.6
275.17941	7.0
277.15875	2.9
277.19717	3.9
279.17502	7.9
279.21014	3.2
281.19034	10.8
282.19901	5.0
283.20590	5.8
285.18521	8.4
286.19305	7.2
287.20306	4.8
289.19406	4.3
295.20700	4.6
297.18817	3.9
297.21994	2.9
299.20096	7.1
311.20190	4.8
312.20837	5.2
313.21692	3.1
315.20880	2.7
317.22351	2.4
325.21716	2.7
329.22610	3.1
333.22232	2.7
345.22192	5.4
347.23746	6.3
352.23758	4.3
360.24561	2.9
361.25565	2.7
365.24780	11.8
367.25784	3.0
383.25992	14.1
439.29721	3.0
567.38202	3.0
582.40906	3.4
600.41840	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.05514	2.1
57.07086	2.8
65.03958	0.6
67.05502	4.3
69.03436	2.7
69.07066	2.8
70.06596	65.6
71.53295	0.6
78.04055	0.5
79.05490	5.7
81.07057	6.2
81.13977	0.4
83.04973	2.5
83.08635	1.4
85.02902	0.6
85.06554	2.6
89.06045	1.9
91.05489	11.9
93.07048	11.1
95.04973	3.6
95.08614	5.1
97.06551	1.5
105.04562	0.6
105.07040	16.0
107.04960	0.6
107.08599	9.4
109.06540	3.5
109.10157	3.4
111.08099	1.7
115.05462	1.1
116.07098	100.0
117.06996	4.0
119.04971	0.7
119.08586	11.4
120.09334	0.5
121.06495	3.0
121.10152	6.9
123.08079	4.4
123.11726	0.9
125.06014	0.7
125.09634	1.3
127.07549	0.7
128.06226	2.6
129.07001	4.6
130.07794	1.6
131.08591	7.6
132.09433	0.8
133.06491	1.4
133.08574	1.2
133.10136	22.8
135.08084	3.9
135.11731	2.3
137.05933	0.6
137.09637	1.8
139.07568	0.5
141.06987	1.9
142.07828	4.6
143.08568	8.5
144.09349	2.3
145.06479	0.7
145.10129	10.1
147.08063	5.5
147.11684	2.4
149.09604	5.5
149.13264	0.7
151.07538	2.4
153.09108	1.1
154.07794	0.7
155.08601	2.5
156.09392	3.1
157.10147	11.4
158.10910	1.5
159.08061	3.2
159.11702	6.0
160.08847	0.7
161.09630	3.8
161.13327	1.1
163.11194	3.4
165.07007	1.1
165.09134	7.5
167.08600	1.8
167.10701	2.1
168.09348	1.3
169.10155	5.2
170.10878	1.4
171.07999	0.7
171.10139	1.4
171.11705	6.3
172.12460	1.0
173.09616	2.3
173.13292	3.0
174.10466	0.7
175.11154	5.9
175.14864	1.0
177.09099	0.6
177.11319	0.8
177.12660	1.2
179.08618	1.7
179.10605	0.6
180.09421	0.7
180.11441	0.6
181.10187	2.5
181.12196	1.4
182.10912	1.2
183.11711	4.0
184.12439	0.7
185.09579	0.8
185.13234	3.0
187.11208	1.7
187.14821	1.2
189.11249	2.9
189.12808	1.5
190.13564	1.5
191.10672	1.0
191.14311	1.1
192.09346	1.2
193.10161	2.6
193.12231	1.4
194.10922	1.1
195.11716	3.4
196.12401	0.9
197.09688	0.8
197.11887	0.5
197.13313	4.4
198.14084	0.6
199.11234	2.0
199.14737	1.3
201.12743	1.6
203.14325	4.1
205.10165	0.6
206.10950	0.8
207.11668	3.0
207.13779	2.1
208.12474	1.7
208.14577	1.5
209.13239	3.8
209.15187	1.0
210.14024	0.8
211.11188	1.4
211.14803	2.2
213.12775	1.3
215.14279	0.8
217.10216	0.7
219.11656	1.2
219.13824	1.0
220.12552	1.3
221.13284	1.8
221.15367	12.2
223.11143	0.6
223.14658	2.3
225.12746	1.6
225.16388	1.5
227.14351	1.1
229.15843	0.7
231.11716	0.6
233.13222	1.9
233.15414	3.8
234.16101	1.6
235.14868	1.7
237.12680	0.8
237.14677	5.4
237.16927	0.6
239.14374	0.8
241.15869	0.7
245.13287	1.1
246.13988	0.7
247.14870	1.2
247.17072	1.1
248.13977	2.3
249.16438	0.9
251.14404	0.7
251.18147	1.0
253.15865	1.4
255.17450	3.9
257.18884	0.6
259.17020	0.7
261.16422	1.4
263.17828	0.8
265.15729	0.6
265.19412	0.6
267.17471	0.5
269.18887	1.0
270.19601	0.7
271.16888	1.6
274.19250	1.6
275.17624	0.5
281.18967	1.4
285.18597	1.0
286.19284	2.2
287.20007	1.8
294.19690	1.0
297.18466	1.3
299.20023	1.9
301.19104	0.6
303.19556	7.8
312.20816	1.4
313.21600	2.1
325.21664	2.8
330.14511	0.5
337.21103	1.5
347.23505	0.8
352.20010	0.9
352.23990	15.2
365.24719	3.3
377.24789	1.4
379.54016	0.6
383.25613	1.2
391.26239	0.6
415.25357	0.6
439.28165	0.6
475.00113	0.6
485.28406	0.8
502.33981	1.8
503.35046	1.1
505.33139	0.5
507.34546	1.3
508.34814	1.3
520.35468	7.6
556.19684	0.6
582.39996	0.6
585.39563	0.7
600.41742	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	600.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.6
57.07082	24.3
59.05016	3.8
65.03951	3.3
67.05512	26.9
69.03424	8.2
69.07069	9.2
70.06596	5.8
70.64275	3.2
71.05002	3.6
71.08656	3.5
71.53897	4.4
79.05495	23.0
81.07064	27.7
83.04973	5.7
83.08611	12.6
85.06557	9.6
87.04430	3.4
89.06038	24.5
91.05495	39.1
93.07056	46.6
95.04968	13.5
95.08619	29.5
97.06549	10.3
104.47379	3.2
105.07039	60.0
106.07818	4.8
107.08611	40.0
109.06521	13.4
109.10167	15.4
111.08043	4.9
115.05513	3.7
117.07029	18.8
119.08597	60.1
121.06544	8.1
121.10146	33.5
123.08073	20.6
123.11758	3.8
125.05984	5.3
125.09650	3.8
128.06233	10.5
129.07005	13.5
130.07848	6.2
131.08574	32.1
132.09364	4.4
133.08591	12.8
133.10159	31.3
135.08076	14.1
135.11725	10.0
136.08882	3.8
137.09619	12.7
139.07588	3.1
141.07016	8.1
142.07832	18.1
143.08589	34.3
144.09351	14.0
145.10146	58.0
147.08044	20.9
147.11690	12.4
149.09682	11.6
151.07567	9.5
155.08553	13.9
155.10724	3.6
156.09363	15.1
157.10129	44.3
158.10910	7.5
159.08055	8.3
159.11717	35.5
160.08847	9.3
161.09647	13.8
161.13332	8.2
161.97466	3.2
163.11209	13.6
165.07008	6.1
165.09140	32.2
167.08690	5.3
168.09396	4.8
169.10107	22.0
170.10948	7.7
171.11690	26.1
173.09642	11.3
173.13234	16.7
175.11214	21.3
175.14842	3.5
177.11295	6.8
177.12708	4.5
179.08519	7.4
179.10637	3.0
181.10175	9.4
181.12257	14.0
182.10875	7.3
183.11707	17.9
184.12471	3.6
185.09654	5.3
185.13277	14.5
187.11224	6.2
187.14850	4.3
189.12730	6.1
190.13498	10.6
193.10278	7.4
193.12270	11.4
194.10916	6.2
195.11758	14.6
196.12445	5.2
197.13167	16.1
199.14902	4.6
201.12682	7.8
203.14340	15.0
206.10948	5.2
207.11697	9.8
207.13652	6.2
208.12558	4.2
208.14571	7.4
209.13345	15.1
210.10286	5.1
210.14075	4.7
211.11172	7.3
211.14850	8.7
213.12767	5.7
215.14459	4.6
219.13832	8.2
221.13374	6.5
221.15344	60.5
223.14784	8.1
225.12817	4.0
225.16434	5.0
229.15945	3.6
234.16194	33.1
235.14774	6.2
237.12761	9.4
237.16397	6.8
247.16991	17.2
263.18091	3.7
271.16946	4.6
274.19205	4.8
281.15671	3.6
281.19162	6.1
283.26395	13.3
286.19397	6.8
287.20078	9.2
299.20117	16.4
300.20715	4.4
300.28934	8.9
300.58395	3.2
301.16522	5.8
312.21033	4.4
325.21716	17.3
326.22589	7.7
337.21710	7.5
339.29010	10.6
340.24207	6.2
352.23990	81.8
365.24808	13.8
391.26462	5.5
420.29956	4.3
440.29333	7.8
505.32611	4.9
507.34583	12.2
520.35553	100.0
565.41052	7.9
600.41241	19.6
600.56030	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
55.05509	5.0
57.07089	12.4
59.05002	3.6
67.05499	9.5
69.03415	7.9
69.07063	5.4
71.01374	2.0
71.13575	3.5
73.98262	1.8
77.22108	2.0
79.05502	15.2
80.54431	1.9
81.07067	19.9
83.04987	6.1
83.08593	2.7
85.06548	5.3
89.06045	7.0
90.25892	1.6
91.05486	23.2
92.06228	1.9
93.07048	28.4
94.99670	2.0
95.04964	10.5
95.08610	20.8
97.06512	5.5
104.06233	2.1
105.07040	46.8
106.07849	2.8
107.04910	1.9
107.08598	18.0
109.06540	9.8
109.10159	7.9
111.08099	2.3
115.05437	2.3
117.07004	13.2
119.04951	1.9
119.08593	56.3
120.09379	2.6
121.06514	6.4
121.10161	20.5
122.07359	2.2
123.08071	14.2
125.06006	14.5
128.06248	3.4
129.07016	11.0
130.07758	4.7
131.08607	20.8
132.09381	3.0
133.06490	4.0
133.08589	3.8
133.10136	20.3
135.08049	15.1
135.11694	8.0
137.09610	12.6
139.07520	2.5
141.07002	4.5
142.07794	9.4
143.08583	19.3
144.09315	6.6
145.10144	37.7
147.08052	24.0
147.11664	5.0
148.08810	3.8
149.09656	12.2
151.07549	7.9
153.07045	2.1
155.08546	10.1
156.09360	8.2
157.10138	32.6
158.10916	3.5
159.08078	6.9
159.11697	20.8
160.08846	3.2
160.12500	3.1
161.09616	13.5
161.13248	6.8
163.11205	20.0
165.09134	45.3
167.08607	3.2
168.09387	3.7
169.10089	11.1
170.10892	4.3
171.11722	15.3
172.12520	3.2
173.09599	9.7
173.13200	9.1
175.11215	23.6
175.14857	3.8
176.11789	2.4
177.09132	4.3
177.11342	2.2
178.09842	3.2
179.08524	3.0
179.10619	2.3
180.11407	2.7
181.10275	9.3
181.12250	19.4
182.10893	3.5
183.11702	13.7
184.12570	2.7
185.09654	4.8
185.13264	8.8
187.11217	5.4
187.14859	2.5
189.12726	8.0
190.13582	9.1
191.10657	4.1
193.10258	4.3
193.12251	16.2
194.10907	2.9
195.11717	8.1
195.13705	3.4
196.12468	3.1
197.09642	2.5
197.13272	12.1
199.11183	7.4
199.14928	3.7
201.12746	8.3
203.14330	21.5
207.11722	5.6
207.13800	9.5
208.14557	10.5
209.13243	7.6
211.11047	2.8
211.14833	6.3
213.12770	5.2
214.13461	1.9
215.14342	4.2
219.13782	11.4
221.13379	5.8
221.15372	100.0
222.15709	5.8
223.14877	4.6
225.12726	3.4
225.16335	2.2
227.14279	3.6
227.17918	2.3
229.12277	2.3
231.13773	3.3
233.13283	2.2
233.15398	5.3
234.16165	24.3
235.14966	2.3
237.12756	3.8
239.14349	3.1
243.13832	3.3
245.15527	2.7
247.14610	4.3
247.16965	35.2
251.14372	2.9
251.17981	2.4
255.17580	2.4
259.16998	5.8
261.18546	2.4
265.15970	2.3
269.15457	3.0
271.16891	4.7
273.18637	2.2
274.19336	16.8
281.19067	4.3
285.18521	3.6
286.19406	3.1
287.20132	14.4
297.18564	4.8
299.20056	21.3
300.20853	2.9
307.20923	2.1
310.19403	3.1
311.20111	4.8
312.20840	10.3
313.21597	6.6
319.20517	2.3
321.34042	2.1
325.21594	21.4
327.23285	3.1
337.21536	5.5
339.23346	11.1
340.23975	20.2
352.23984	32.1
365.24756	5.7
366.25378	3.9
379.26221	4.9
387.25098	7.1
391.26141	4.3
392.26730	3.2
413.26828	6.2
415.25308	3.3
419.29407	11.1
420.30157	5.6
425.26965	9.2
426.27643	5.8
427.28497	20.5
440.29285	63.8
442.30841	3.9
454.30600	3.1
505.33029	2.6
507.34738	3.5
508.35349	3.1
520.35535	53.7
585.39209	3.5
600.41492	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.0
53.03937	2.7
55.05515	11.7
57.07077	15.8
59.04983	6.3
64.12563	1.7
65.03928	2.4
67.05508	17.8
69.03416	8.6
69.07057	6.4
69.41393	13.9
70.06590	2.8
79.05492	18.0
81.07065	23.6
81.30701	2.1
83.04976	7.6
83.08616	5.0
84.26499	1.7
85.06521	8.4
89.06040	9.3
91.04983	2.5
91.05488	37.6
91.25931	2.0
92.06293	2.0
93.06487	2.6
93.07047	40.8
95.04967	9.6
95.08599	25.9
97.06541	6.6
98.21541	3.5
105.07038	55.9
107.04987	2.4
107.08604	24.5
109.06526	13.7
109.10154	10.2
115.05445	2.0
116.59610	2.0
117.07030	16.3
119.08589	64.0
120.09353	2.5
121.06514	10.4
121.10151	21.0
123.08064	19.7
125.05983	13.7
128.06213	6.9
129.07034	12.3
130.07776	4.3
131.08580	29.2
132.09372	3.9
133.06487	6.1
133.08548	4.8
133.10127	22.7
135.08080	24.3
135.11685	8.6
137.09601	14.1
141.07011	7.0
142.07793	14.4
143.07681	2.2
143.08585	28.6
144.09311	7.1
145.06464	4.2
145.10127	49.5
147.08046	29.1
147.11684	7.7
149.09637	10.7
151.07561	13.4
151.11137	2.4
154.07820	2.6
155.08556	14.9
156.09366	12.3
157.10139	34.9
158.10876	5.9
159.08046	6.5
159.11708	28.7
160.12456	2.8
161.09619	9.8
161.13242	8.2
163.11208	23.4
165.06995	2.3
165.09117	42.7
166.07722	3.8
166.09367	2.8
167.08542	7.3
168.09367	5.1
169.10118	14.5
169.22058	2.0
170.10921	4.7
171.11703	22.0
172.12401	5.3
173.09648	10.8
173.13307	12.5
175.11192	24.7
175.14864	3.2
177.09103	4.2
177.11232	2.3
178.09889	2.7
179.08546	4.0
179.10667	2.3
180.09203	2.2
180.11391	3.4
181.10057	9.7
181.12257	18.1
182.10974	4.4
183.08032	2.9
183.11693	16.5
184.12326	3.3
185.09579	5.1
185.13269	8.7
187.11288	9.9
187.14839	4.5
189.09157	3.1
189.12691	9.6
190.13562	7.6
191.10666	5.5
191.14313	2.6
193.10126	6.0
193.12239	14.6
194.10918	2.9
195.11711	13.3
196.12436	5.2
197.13177	14.1
199.11148	8.7
199.14825	2.6
201.12720	12.0
203.14328	20.3
204.14615	1.9
207.11662	6.4
207.13803	13.1
208.12663	3.1
208.14522	12.2
209.13249	8.8
210.10406	1.9
211.11220	4.3
211.14751	8.3
213.12750	6.4
213.16389	2.7
215.10785	2.5
215.14247	3.5
219.11902	3.2
219.13721	10.2
220.14485	2.2
221.13457	5.4
221.15363	100.0
222.15762	4.6
223.14819	7.5
225.12778	4.8
225.16409	2.7
227.14343	4.4
229.15900	4.2
231.13849	5.5
233.13293	2.9
233.15398	4.5
234.16138	19.6
237.12674	4.1
237.16435	4.3
239.14330	4.3
239.18135	2.6
241.15991	2.7
245.15503	2.5
247.14912	3.7
247.17056	26.1
248.17503	3.2
253.15846	4.4
255.17448	2.0
259.16879	5.1
263.18094	2.2
267.17593	2.8
271.16791	3.4
274.19278	16.1
281.19067	4.2
283.26312	6.8
285.18344	3.2
286.19366	3.9
287.20135	13.3
292.17886	2.2
297.18576	4.5
299.20047	19.1
300.20663	5.4
301.21600	2.1
311.20096	4.7
312.20840	10.4
313.21616	8.5
325.21628	14.6
326.22256	2.9
327.23257	3.0
337.21625	4.8
339.23068	6.5
340.23978	17.1
344.31842	2.6
352.24036	38.5
365.24707	8.8
366.25516	3.9
374.26248	2.0
377.24689	2.1
379.26321	8.2
387.25296	6.2
391.26392	3.2
392.26999	3.4
400.25986	2.9
405.28253	2.4
413.26920	3.5
415.25015	4.0
419.29428	7.0
420.30307	4.4
425.26758	9.6
426.27502	4.3
427.28299	14.6
440.29248	59.8
442.30814	3.0
493.32895	2.6
505.32828	2.6
507.34857	5.2
508.35013	6.1
520.35486	49.8
521.35980	3.0
567.37866	2.8
582.40100	3.8
585.39282	3.9
600.41565	34.6
600.55151	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.6
57.07097	11.3
65.68128	5.1
67.05496	19.0
69.03433	12.0
69.07060	11.9
69.31981	5.5
79.05478	19.2
81.07054	24.6
89.06043	32.6
91.05471	32.7
93.07045	31.4
93.72629	6.2
95.08604	22.5
97.06563	9.8
98.21484	10.4
105.07043	52.1
107.08598	24.4
109.06496	9.7
117.07021	16.1
119.08588	62.8
121.06503	6.7
121.10162	27.8
123.08052	20.5
125.06010	11.2
131.08542	19.5
133.08620	13.3
133.10133	17.9
135.08063	16.4
135.11725	7.2
137.09595	19.8
142.07822	8.9
143.08562	17.2
144.09337	7.0
145.10118	35.9
147.08041	27.0
147.11627	9.2
149.09641	13.8
151.07573	8.9
155.08595	7.3
157.10158	34.4
158.10779	7.9
159.08029	8.0
159.11697	22.5
161.09647	11.2
161.13264	10.0
163.11177	22.9
165.09138	55.6
169.10150	19.4
171.11726	23.9
173.09581	6.5
173.13336	10.4
175.11214	20.6
177.11168	6.9
181.12248	21.2
183.11726	16.3
185.13264	8.0
189.12698	7.4
190.13579	12.2
193.12262	15.0
194.11034	5.7
197.13315	7.2
201.12759	9.1
203.14322	22.3
207.13779	12.8
208.14537	10.8
211.14835	10.2
213.12714	6.7
219.13780	11.0
221.13394	8.1
221.15376	100.0
222.15758	6.8
225.12720	8.8
226.67706	5.6
227.14223	9.6
234.16109	20.5
247.16824	27.9
253.15816	5.3
274.19412	20.0
281.18991	6.2
287.19965	13.5
299.20102	21.5
312.20944	10.5
313.21625	9.4
325.21518	19.2
337.21594	7.0
339.22977	6.3
340.23975	23.8
352.24094	38.2
365.25388	6.5
399.13153	6.0
415.25098	7.2
419.29413	6.8
420.30594	5.8
425.26974	13.3
427.28302	22.6
440.29251	68.4
520.35455	58.1
600.41656	48.1
600.55756	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	600.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.6
57.07088	1.3
67.05520	0.7
68.05074	0.3
69.03458	0.6
69.07069	0.6
70.06602	60.7
70.87648	0.5
70.87988	0.5
71.08630	0.3
79.05515	1.2
81.07095	1.4
85.02910	0.3
85.06561	0.8
89.06038	1.4
91.05487	2.9
93.07057	1.2
95.04993	0.5
95.08611	1.1
105.07045	2.2
107.08608	1.3
109.06548	0.6
109.10150	0.4
111.08101	0.6
116.07107	100.0
119.08588	1.4
121.06499	0.5
121.10150	0.4
123.08120	0.8
127.07560	0.4
129.07004	0.6
129.48941	0.3
131.08594	0.6
133.08562	1.3
133.10150	16.0
135.08093	0.5
137.09596	0.3
143.08568	0.7
145.10127	1.2
147.08067	0.8
147.11670	0.4
149.09625	2.3
151.07591	0.5
153.09108	0.7
156.09409	0.4
157.10153	1.3
159.11739	0.7
161.09685	0.3
165.09099	0.6
167.61670	0.3
169.10187	0.5
171.10191	2.0
171.11665	0.8
173.13239	0.3
175.11227	0.5
177.11243	0.4
181.10136	0.3
181.12228	0.3
185.13205	0.4
189.11227	2.1
189.12726	0.7
193.10178	0.3
195.11864	0.3
197.13228	0.6
221.15404	1.5
225.27290	0.3
237.14850	0.5
255.17419	0.3
303.19623	0.8
334.62781	0.3
337.11884	0.3
337.20029	0.6
352.24002	1.2
485.28949	0.9
507.34421	0.4
520.35358	0.8
565.00830	0.3
600.42438	0.4
600.50323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01865	1.4
55.05521	3.2
58.99578	1.1
65.03960	0.5
65.31099	0.4
66.04321	0.4
67.05507	7.7
68.57616	0.4
69.03448	0.5
69.07078	3.3
69.92683	1.5
70.06602	1.0
71.05000	0.9
72.08145	0.5
74.00670	1.7
76.02225	1.6
79.05497	6.3
80.05016	1.4
81.03413	1.0
81.06588	1.0
81.07061	18.0
82.06629	0.4
83.04984	1.3
83.06107	1.4
83.08611	2.2
84.04514	5.4
85.01105	0.7
85.02909	0.6
85.06541	0.6
86.00671	0.9
91.05486	5.3
93.07050	5.6
93.38472	0.4
94.06591	1.0
95.04987	1.9
95.08617	10.2
96.08102	0.4
97.01137	1.7
97.06530	1.3
97.10146	0.4
97.46305	0.5
99.01412	3.5
99.02733	0.6
99.05579	0.7
100.02222	5.4
105.07039	5.6
106.06538	0.7
107.04976	1.6
107.08602	4.1
108.08147	0.7
109.06530	3.2
109.10172	2.9
111.02707	0.7
111.08083	0.8
112.02197	7.2
113.02973	1.1
114.03756	6.7
116.01685	1.9
117.07036	1.8
119.08593	4.0
120.08141	1.1
121.06512	1.0
121.10143	2.9
123.08064	1.0
123.11710	0.9
124.02117	0.5
125.04250	1.1
126.03739	2.7
129.06694	1.4
130.05035	1.6
131.08569	2.5
133.10146	3.2
134.09634	0.7
135.08063	0.9
135.11697	1.8
137.04166	0.6
137.09645	0.8
138.03752	3.0
139.03265	0.6
139.05759	0.9
140.05298	6.1
143.08559	0.9
144.01164	0.9
145.05994	0.5
145.10156	2.2
147.11693	3.7
149.04297	0.5
149.09621	1.3
149.13284	1.1
152.05331	1.4
152.14346	0.5
153.06607	0.6
154.06874	1.2
157.10147	0.5
159.11771	0.8
161.13210	0.5
162.02231	0.5
163.11194	1.4
163.40887	0.5
166.06932	1.2
168.08441	14.7
169.06143	0.5
171.11807	0.6
173.13300	1.8
175.11234	0.7
179.04973	0.7
180.08405	0.6
181.06198	0.5
185.03838	2.5
187.05379	0.7
191.14352	1.0
193.06232	0.5
195.06531	1.0
202.04112	1.4
207.13922	0.7
209.15408	2.0
216.05623	2.2
222.14955	0.9
231.04337	3.5
233.05939	1.4
236.14687	1.5
236.16708	1.0
241.06517	1.0
247.20760	0.7
250.12656	0.5
251.58444	0.4
255.07965	2.8
264.14172	6.6
265.15213	1.0
269.09631	1.5
270.10437	4.6
271.11115	1.5
275.20038	5.0
281.14569	1.9
282.15228	28.8
293.21222	1.4
308.09161	1.1
323.15958	1.0
323.20554	0.7
325.15875	0.5
332.20316	0.8
333.18951	1.7
339.17331	0.8
350.21481	8.6
351.19901	2.1
368.22568	11.3
378.20938	0.9
384.17151	11.4
385.17896	2.1
435.23001	0.4
453.24225	100.0
454.24265	1.5
479.26236	0.4
507.25009	0.6
525.26471	4.5
528.89746	0.4
582.28546	1.5
586.95996	0.4
600.20490	0.4
600.29553	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	600.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64539	0.5
53.03937	0.9
55.01875	1.2
55.05514	4.4
56.05030	0.8
57.07057	0.7
57.98786	1.1
58.99293	1.0
58.99588	17.2
61.01163	0.6
65.03955	0.6
67.05510	9.2
68.43473	0.5
69.03442	1.1
69.07063	5.0
70.06588	1.5
70.87488	0.7
70.87819	1.1
71.04978	1.0
74.50459	0.5
76.02232	69.0
76.03989	2.8
77.03914	0.7
78.03800	0.7
79.05152	0.6
79.05503	6.4
80.05013	0.9
81.03435	1.6
81.07063	9.0
83.04985	2.1
83.06094	1.7
83.08618	2.4
84.04047	1.0
84.04509	13.1
84.17098	0.6
85.02885	1.1
85.06523	0.5
86.99043	4.0
88.02201	1.8
88.67352	0.5
91.05485	8.1
93.07052	9.3
95.04984	1.6
95.08614	6.8
97.06545	2.7
97.10175	0.9
99.05591	0.8
105.01832	0.6
105.07038	9.2
107.04964	2.1
107.08602	5.2
109.06552	3.7
109.10171	3.9
111.08116	0.8
114.03741	1.0
116.01690	21.7
116.07104	1.4
117.07018	2.8
119.08590	6.2
121.06506	4.5
121.10130	3.8
123.08060	1.8
123.11687	1.0
124.02207	0.7
125.09624	0.9
127.03888	1.2
127.07601	0.7
129.06665	2.5
130.05002	5.6
131.08575	6.2
133.06505	1.4
133.10136	6.5
135.08073	2.5
135.11703	2.1
137.05930	1.1
137.09663	1.0
141.07037	0.6
142.03221	6.5
143.08549	1.4
144.01152	12.3
145.06149	1.0
145.10129	5.9
147.08081	2.0
147.11710	4.1
149.09616	2.0
149.13284	0.8
151.03914	1.8
151.11162	1.6
152.14322	2.2
155.08589	0.6
157.10130	1.6
159.08052	1.0
159.11711	4.2
161.09641	2.1
161.13255	1.0
162.02214	40.5
163.11194	2.3
169.10107	0.7
170.02747	2.9
171.11734	1.3
173.09621	2.1
173.13269	2.5
175.11215	1.3
175.14793	0.6
179.04866	100.0
183.11722	0.8
184.07330	1.1
185.06064	0.7
187.05405	2.2
187.11230	1.5
191.14441	0.9
195.06567	1.6
196.17027	1.1
197.13361	1.0
199.07462	0.7
201.12735	1.7
207.13782	2.0
212.32503	0.5
215.04886	1.6
219.13881	1.4
227.18098	0.7
233.05920	10.6
239.17921	1.2
245.02635	1.9
245.05861	4.1
247.20679	1.0
257.18988	3.6
273.02151	0.7
273.18472	4.3
275.20062	28.5
290.08105	0.7
291.06491	2.5
291.19650	3.3
293.21124	21.7
308.09128	34.8
351.20239	0.6
368.22491	10.4
378.20953	1.5
453.24231	6.2
471.25247	2.5
525.26202	2.7
556.20056	1.4
582.28229	1.4
600.22375	1.8
600.30017	11.6
608.21973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28180	0.4
65.95776	0.3
69.03440	0.4
70.06598	1.1
70.81522	0.3
71.07032	0.4
71.07360	0.4
85.02901	0.9
91.05482	1.1
93.07046	0.4
97.02908	0.6
98.06046	0.9
105.07027	0.7
107.04929	0.8
115.05481	0.9
117.07043	0.7
120.59906	0.3
126.05514	0.4
127.03852	0.4
128.06270	1.5
129.07022	4.9
131.08585	6.0
133.06503	0.7
133.10260	0.4
141.06972	1.9
143.08563	1.3
144.05701	1.9
145.06485	1.7
146.07332	0.8
147.04456	0.6
151.03951	0.6
153.07101	0.6
154.05026	0.4
156.05685	0.5
157.06505	3.2
158.07263	1.0
159.08066	10.2
160.07597	0.5
160.08916	0.3
161.06027	0.8
161.09612	2.5
167.07050	0.6
169.06412	0.4
169.07635	1.1
170.07266	2.0
171.08067	1.9
172.05249	1.0
173.06012	1.2
173.09502	0.4
174.06793	0.7
175.07515	0.9
187.07547	7.4
189.09122	4.1
190.06306	0.6
191.07083	0.5
193.08675	0.5
198.06805	0.7
199.07571	1.3
201.05510	0.5
201.09128	0.6
203.07060	1.4
203.08865	0.3
204.06108	0.6
204.07843	4.7
205.08611	0.7
206.09296	0.5
207.10301	0.6
207.25746	0.4
216.07851	1.5
217.08548	0.6
218.09528	0.7
219.10229	1.9
221.11757	1.9
231.10110	2.6
233.11705	1.4
234.08882	0.5
237.11223	0.6
249.11246	100.0
250.11531	0.6
251.12807	2.4
267.12326	4.3
306.05978	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.3
56.36544	0.2
57.03439	0.3
69.03447	0.5
69.67841	1.6
79.05473	0.3
81.03409	0.3
81.07034	0.3
85.02901	0.9
91.05470	1.4
93.07093	0.3
97.02890	0.4
103.05466	0.5
105.07043	0.8
107.04950	0.7
111.04444	0.3
115.05466	1.4
116.06269	0.3
117.07021	1.1
121.06512	0.4
128.06256	1.5
129.07007	5.0
131.08586	5.5
133.04991	0.4
133.06496	1.2
133.10136	0.4
137.05965	0.5
141.06993	1.6
142.07762	0.5
143.08571	1.3
144.05708	2.4
145.06505	2.3
146.06134	0.3
146.07297	0.8
147.04407	0.3
147.08041	0.6
149.05968	0.3
153.07024	0.7
155.06091	0.4
157.06496	2.8
158.07381	0.3
159.08064	9.8
161.05965	0.9
161.09641	2.5
167.07040	1.0
169.07611	1.1
170.07307	1.9
171.08052	2.1
172.05177	0.8
173.06013	1.1
173.09686	0.7
174.06775	0.8
175.07565	0.8
178.23692	0.3
181.08664	0.3
185.09602	0.3
187.07559	7.2
188.08344	0.6
189.05505	0.5
189.09137	3.6
190.06227	0.3
191.07108	0.6
192.07918	0.3
193.08627	0.4
198.06757	0.6
199.07549	1.1
201.09251	0.4
203.07079	1.0
204.07823	5.0
205.08603	1.0
206.09386	0.4
216.02669	0.4
216.07835	1.1
217.08598	0.6
218.09276	0.4
219.10181	1.8
221.08191	0.5
221.11690	1.3
231.10170	2.7
233.11757	1.1
237.11205	0.7
249.11244	100.0
250.11534	0.6
251.12781	2.0
264.90723	0.3
267.12317	3.0
353.46683	0.3
420.25467	2.2
454.09210	0.3
534.01178	0.3
600.31958	2.0
604.72156	0.3
626.47235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	0.5
69.26348	1.0
69.26775	1.6
70.06590	0.4
73.02956	0.3
81.03413	0.3
81.07047	0.4
85.02908	1.1
86.09747	0.3
87.04477	0.4
91.05475	1.7
93.07040	0.5
97.02913	0.7
98.20766	0.4
103.05448	0.4
105.07026	0.5
107.04953	0.7
110.64825	0.3
115.05424	1.3
117.07030	0.9
119.04910	0.6
119.08585	0.4
126.18533	0.3
128.06235	1.7
129.07021	4.8
130.07776	0.4
131.04968	0.4
131.08585	6.2
133.06477	1.0
133.10130	0.5
137.05951	0.6
141.06984	1.9
142.07768	0.6
143.08588	1.0
144.05733	2.7
145.06499	3.3
146.07280	0.8
147.04420	0.4
147.08101	1.3
153.07022	0.3
155.06049	0.3
156.05719	0.6
157.06514	2.2
158.07310	0.8
159.08066	10.7
160.05235	0.3
161.05998	0.8
161.09631	3.0
167.07072	1.0
169.06453	0.6
169.07642	1.5
170.07239	2.1
171.08067	1.8
172.05273	0.8
173.06010	1.3
173.09676	0.4
174.06770	0.9
175.07561	1.3
177.05382	0.4
178.06247	0.5
182.15372	0.3
187.07559	7.7
188.08212	0.3
189.05510	0.6
189.09120	4.2
190.06332	0.4
191.07048	0.4
198.06848	0.5
199.07558	1.2
201.09189	0.5
203.07021	1.2
204.07843	4.9
205.08566	0.9
206.09380	0.8
207.10167	0.4
210.14961	0.5
211.15164	0.4
216.07855	1.5
217.08696	0.5
218.09453	0.8
219.10146	2.5
221.11740	1.1
231.10152	2.6
233.11763	0.8
234.08902	0.6
237.11217	1.0
249.11244	100.0
250.11588	0.5
251.12738	1.8
267.12396	2.7
420.25244	2.6
600.32159	3.1
600.41907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82516	0.8
53.03945	2.1
55.01864	1.0
55.05515	3.4
57.06846	1.1
57.07085	7.7
59.05001	2.5
60.45630	0.8
67.05511	9.8
69.03427	7.1
69.06736	0.9
69.07082	4.2
71.52870	1.0
74.09765	0.8
79.05499	8.3
81.03426	2.1
81.07068	14.6
83.04991	3.9
83.08643	1.8
85.06551	4.3
91.05485	15.2
91.06008	1.0
91.87311	0.9
93.07057	24.6
95.04993	6.0
95.08627	12.9
97.06557	2.9
103.05544	1.3
104.90052	0.8
105.04548	0.8
105.07044	21.8
107.08604	14.4
109.06522	6.5
109.10162	5.8
111.04514	1.2
111.08090	2.6
115.05494	2.2
117.07031	6.0
119.08599	27.0
119.09482	1.3
121.06528	3.4
121.10153	16.4
122.07296	1.4
123.08098	12.2
123.11727	1.0
125.06037	2.7
128.06242	3.2
129.07054	4.5
130.07861	1.3
131.08583	10.0
133.06522	2.4
133.10150	12.9
135.08070	10.1
135.11682	4.5
137.09633	13.4
139.07579	1.5
141.07033	2.1
142.07793	5.0
143.08592	11.7
144.09404	2.4
145.10162	17.7
146.07352	1.2
146.10846	1.1
147.08064	23.0
147.11725	3.7
149.09653	5.2
151.07565	9.5
155.08559	5.3
156.09375	4.6
157.10135	15.8
158.11020	1.1
159.08075	3.3
159.11726	10.1
161.09706	5.1
161.13257	6.5
163.11243	7.0
165.09132	46.4
167.08635	1.5
167.10713	6.3
168.09395	3.7
169.10147	8.6
170.10982	3.4
171.08089	1.5
171.11722	10.0
173.09708	3.4
173.13300	3.4
175.11256	3.2
175.14818	1.7
177.09174	2.4
177.12900	1.0
179.07063	1.1
179.08624	2.0
179.10614	1.4
180.09398	1.8
181.10197	5.4
181.12254	7.7
182.10977	1.9
183.11729	11.6
185.09639	2.0
185.13257	6.6
187.11276	2.4
187.14897	2.9
189.09187	1.1
189.12794	2.9
191.10739	2.3
191.14307	1.8
193.10214	3.5
193.11960	1.0
194.10974	1.8
195.11748	4.9
195.13495	1.1
196.12515	1.9
197.09566	1.6
197.13272	6.4
199.11246	3.3
199.14845	2.4
200.12094	1.1
201.12804	1.5
201.16229	1.1
203.14328	15.7
205.10284	1.2
206.10934	1.4
207.11757	2.4
207.13860	6.4
209.13268	5.0
211.14845	4.0
213.12784	2.7
215.14378	1.8
219.11894	1.5
219.13889	1.7
221.13397	3.5
221.15388	100.0
223.14919	1.9
225.12758	2.4
225.16418	1.3
227.14394	1.5
229.15982	2.0
231.13908	2.5
233.13298	2.0
233.15497	3.5
235.14810	1.7
235.16953	1.2
237.16577	1.1
239.14424	1.5
247.14586	1.5
247.16956	14.8
251.14445	1.8
265.15781	1.1
269.18954	1.5
277.15836	1.2
281.19183	1.7
285.18570	1.9
286.19427	1.4
287.20105	7.8
293.19092	1.1
299.20187	5.3
301.21735	1.5
311.20151	1.3
313.21774	2.5
325.21701	1.6
327.23273	2.3
337.28094	1.1
365.24844	4.0
373.25323	1.6
377.24741	1.1
391.26318	9.1
419.29538	3.7
427.28534	6.0
453.29926	1.4
502.08395	1.0
507.34912	7.8
519.34924	2.4
525.33441	1.2
563.39691	1.0
581.39984	4.6
599.41016	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2508
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
57.07079	2.3
67.05513	5.4
69.07079	1.8
69.26268	2.6
69.26661	9.0
79.05492	2.2
81.07079	5.1
83.05005	1.6
85.06563	1.7
89.06048	3.9
91.05508	3.8
93.07051	4.3
95.08633	2.5
105.07041	3.6
107.08611	3.5
109.10168	2.2
114.70155	1.0
119.08620	4.2
121.06573	1.3
121.10175	2.3
133.08614	1.1
133.10233	2.5
135.08110	1.9
135.11787	1.5
143.08604	2.5
145.10173	3.4
147.08089	2.0
157.10185	2.6
159.11678	1.4
161.13350	1.3
163.11276	1.4
165.09209	4.0
173.13246	1.3
179.08539	1.5
181.12337	1.6
203.14342	1.1
221.15390	8.4
223.12462	1.2
238.14738	1.2
247.16978	1.4
251.15633	1.1
330.19705	1.4
334.16022	1.2
339.16266	2.0
340.17200	1.0
353.17938	4.2
354.18585	4.3
358.19565	1.4
366.19052	1.4
369.20837	12.6
375.16281	1.2
379.19495	5.0
381.17035	2.0
382.17935	2.1
387.62253	1.2
393.21072	1.4
397.20398	6.1
407.18646	1.8
409.20026	3.0
410.18100	1.8
423.21930	1.3
424.19675	1.8
425.19785	19.0
435.21750	2.2
437.19659	3.0
439.21027	1.3
451.21536	10.7
452.21970	2.4
453.19492	3.5
455.24664	3.1
456.25418	3.8
461.19839	2.6
462.20441	2.5
467.25034	2.6
468.21255	1.2
483.24121	2.1
484.24817	7.0
489.19467	1.5
495.23917	2.9
497.22055	1.8
507.35193	1.4
511.23849	5.7
512.24207	32.8
521.22150	2.1
539.22949	36.6
539.31201	1.9
582.22375	1.6
599.25073	100.0
599.41058	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	598.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.3
55.01881	6.4
55.05503	18.8
57.03425	24.1
57.07063	7.1
67.05510	76.1
67.39088	5.1
69.07066	13.8
70.51231	4.7
71.52663	6.6
79.05503	55.3
81.03427	100.0
81.07061	75.4
83.04977	7.5
83.08620	25.2
84.04513	6.3
91.05484	44.9
93.07060	67.1
95.04963	24.5
95.08618	54.0
97.06532	5.6
97.10150	8.7
105.07059	35.7
107.08590	32.7
109.06516	7.4
109.10136	24.5
111.08069	8.0
117.07016	12.5
119.08584	36.6
121.10128	18.7
123.08070	5.3
123.11733	10.1
129.07011	9.9
131.08617	27.4
133.10152	13.9
135.11699	15.3
143.08572	5.8
145.10124	12.7
147.11684	20.1
149.09630	9.7
149.13298	8.9
157.10165	13.2
159.11670	7.8
161.09564	6.7
163.14842	6.1
173.13231	8.1
175.11238	8.3
193.12239	22.3
196.51167	5.3
233.55426	5.2
243.20914	11.4
261.22144	22.7
267.15942	99.2
297.13483	5.3
335.25851	90.2
502.41223	5.7
527.37469	52.9
533.14703	6.2
545.38568	37.0
598.38275	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	599.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01871	1.3
58.06580	0.4
58.26152	0.4
68.99802	0.5
69.03431	0.8
70.06583	0.7
71.53365	0.5
79.05504	1.4
81.03414	1.6
85.02909	4.0
85.66205	0.4
91.05469	0.6
95.04985	1.2
97.02896	1.2
103.03912	0.7
107.04957	100.0
109.02883	1.3
119.04942	0.6
119.08557	0.5
121.02867	1.8
121.06525	0.6
123.04427	0.7
127.03930	0.8
131.04938	1.4
133.06436	0.5
135.04437	0.7
137.02422	0.3
137.05986	0.8
139.03897	0.8
147.04395	2.3
149.05989	1.5
151.03929	1.7
157.06404	0.5
159.04385	0.8
161.06024	0.7
163.03929	1.6
165.05405	0.4
171.04350	0.8
173.02318	0.5
173.06017	1.5
175.03964	2.5
177.05449	2.1
179.03453	0.5
179.07083	0.5
181.04939	2.2
185.06009	0.6
187.03955	1.5
189.05457	1.3
191.03384	1.1
193.04915	2.7
197.05960	0.5
199.03802	0.6
201.05496	1.8
203.07054	0.5
205.04962	4.6
207.06564	1.2
211.06117	0.5
213.05498	1.2
215.03334	0.6
217.04951	5.4
219.02905	0.7
219.06523	1.5
221.04451	1.4
223.05904	1.9
225.05516	0.9
227.07268	0.7
229.04930	2.3
231.06514	2.0
233.04465	0.6
235.06004	3.5
237.05472	0.9
241.04979	1.5
243.06604	1.3
245.07953	0.5
247.05995	4.5
249.11327	0.9
253.04880	1.0
255.06552	1.3
257.04425	0.9
259.06021	6.9
267.06519	0.6
271.06079	3.7
273.07504	1.4
277.06934	2.3
279.06335	0.6
283.03406	0.5
283.05832	2.1
285.03906	0.4
285.07745	1.1
287.05585	0.7
287.09091	1.0
289.06961	2.4
295.05902	0.7
297.07535	0.7
299.09195	1.6
301.07040	3.2
303.05090	1.3
304.05331	0.9
305.05371	0.6
311.09125	1.3
313.07010	3.4
317.10233	1.4
323.09149	1.1
325.07034	2.5
327.08676	0.8
329.10214	3.4
335.09183	0.5
341.10132	3.2
343.08054	0.8
353.10260	5.6
355.08148	0.7
359.11615	0.4
361.09357	0.6
365.10135	3.3
367.08337	0.5
377.10162	1.9
383.11234	6.3
389.10294	1.2
395.11261	8.0
407.11221	6.2
413.12424	3.1
419.11215	6.1
425.12280	3.9
429.11792	0.6
431.13504	11.2
437.12543	0.6
443.13385	2.7
449.12308	6.7
461.13675	4.7
467.13620	3.8
473.12265	1.2
479.13547	3.0
485.14578	2.9
491.13571	2.0
497.14441	7.2
509.14432	3.3
527.15222	2.9
545.16644	3.0
563.17657	0.9
599.26978	0.6
612.95605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.8
54.21664	3.7
55.01856	4.3
55.05509	26.4
57.03438	18.2
57.07064	5.7
67.05511	66.4
69.03436	4.8
69.07081	24.2
69.68394	8.2
69.68698	26.4
71.04969	5.1
77.09722	4.6
79.05505	38.1
81.02986	7.4
81.03424	83.5
81.07069	56.8
83.04996	8.8
83.08628	20.3
84.04475	4.1
91.05479	40.3
93.07062	48.4
95.04979	24.9
95.08618	43.1
97.06496	5.7
102.80807	4.0
105.07043	23.0
107.04936	9.5
107.08616	28.5
109.06569	5.8
109.10169	26.0
111.08072	9.1
117.07071	11.4
119.08579	29.5
121.06527	6.5
121.10161	25.2
123.11749	6.3
129.07024	9.1
131.08586	17.6
133.10139	13.2
135.11713	13.6
136.12222	4.9
145.10135	8.7
147.11714	11.1
149.09622	5.9
149.13228	6.0
153.85956	4.0
157.10184	14.0
159.11693	5.6
161.13196	5.6
163.14828	4.9
173.13281	6.0
185.13229	4.5
193.12279	16.8
261.22113	9.4
267.15945	100.0
317.24881	7.7
335.25839	72.5
365.33853	5.4
435.32596	5.2
453.33768	8.2
471.34967	6.0
527.37451	49.3
545.38458	26.3
598.38525	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	598.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86863	1.0
55.05505	1.4
57.07084	1.4
59.83736	1.1
67.05520	2.0
69.03465	1.1
69.07069	2.2
70.06595	3.6
71.52467	1.1
79.05509	1.7
81.07065	11.5
83.04971	1.7
83.30435	1.2
84.04539	2.4
87.04474	3.0
89.06044	1.0
91.05492	2.7
93.07086	1.6
94.04196	1.8
95.04982	1.1
95.08622	3.6
97.33992	1.0
103.05488	5.2
104.07091	4.7
105.07043	1.4
107.08590	1.1
109.06483	1.8
109.10146	1.3
111.04448	4.3
115.05497	2.5
116.07101	4.0
117.07036	1.9
119.08586	1.7
121.10129	1.3
122.03655	4.3
125.05999	3.7
128.06255	3.2
129.07022	16.3
131.04933	12.5
131.08595	1.6
137.05994	100.0
137.13239	1.6
143.04903	2.4
145.06505	2.3
149.05963	1.1
151.07573	1.2
153.05489	8.9
157.06499	20.4
160.05225	4.0
161.06041	2.5
163.07587	7.8
172.05202	3.4
174.06801	6.6
175.07574	31.6
177.09187	1.7
185.06010	1.6
187.05878	2.2
187.07565	41.6
189.07420	1.9
189.09128	39.1
191.08611	1.2
199.07634	1.3
203.08623	1.9
205.08679	4.2
207.10201	3.7
217.08603	13.5
219.08063	3.6
231.08095	3.6
235.09731	3.0
239.06917	1.2
247.07591	2.7
248.08311	3.2
251.10661	2.3
255.06732	1.4
259.07648	2.5
260.76324	1.3
263.10736	2.8
270.08899	3.7
271.09613	2.8
276.07898	1.9
279.10217	7.0
283.09708	3.3
291.10153	9.3
293.07993	1.9
296.10492	2.8
311.12836	17.6
323.12799	19.6
324.92603	1.2
329.14050	2.5
341.13879	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	27.5
57.03428	17.9
60.57150	4.8
60.78341	4.6
67.05511	70.9
68.64147	4.5
69.07069	21.5
69.48808	35.1
79.05499	46.9
80.91798	5.0
81.03432	77.5
81.07071	67.1
83.04972	9.7
83.08643	23.0
84.04514	5.4
91.05495	34.1
93.07058	54.5
95.04984	22.7
95.08607	45.5
97.02813	4.4
97.06535	4.5
97.10160	9.7
105.07031	30.7
107.04945	9.7
107.08600	18.6
109.10184	25.7
111.08073	7.1
113.42337	4.5
117.07027	10.5
119.08584	25.1
120.99599	4.8
121.10162	24.2
123.11753	7.3
125.09673	6.3
129.07002	12.2
131.08583	19.7
133.08611	5.8
133.10149	17.3
135.11697	13.5
142.07724	5.3
143.08521	5.8
145.10150	12.7
147.08023	5.5
147.11713	14.5
149.13307	10.1
157.10107	14.6
159.11739	11.2
161.13316	9.6
173.13266	10.6
175.11221	5.7
193.12206	26.3
220.85701	5.4
222.14119	5.5
227.12755	5.1
239.16518	5.6
243.21121	7.1
261.22205	12.2
267.15952	100.0
274.74896	5.4
335.25845	70.9
436.52740	5.7
448.68533	5.3
453.33981	9.4
527.37201	56.0
545.38452	33.3
563.38928	11.6
598.40192	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01855	0.9
55.05518	2.3
56.05023	0.8
58.06586	0.2
65.03940	1.8
67.05514	6.1
68.02637	0.3
69.03419	0.8
69.07056	0.5
70.06566	0.8
70.06912	0.2
71.07388	2.0
71.53112	0.3
72.08163	8.5
77.03938	0.7
78.04703	0.3
79.05501	12.6
80.06273	0.4
81.03416	1.4
81.07068	3.6
83.05002	1.8
85.02895	0.4
87.00749	0.2
89.03915	0.3
91.05489	10.4
92.06204	0.3
93.03393	0.7
93.07053	2.9
95.04979	7.7
95.08606	0.7
96.04478	0.7
96.05753	0.3
97.02921	0.2
97.06503	0.3
98.06056	0.4
103.05489	2.3
103.06960	0.2
105.03413	1.0
105.04488	0.8
105.07041	14.3
106.07839	1.8
107.04414	0.2
107.04976	2.1
107.08609	6.2
109.06499	0.4
110.06043	0.4
111.04447	1.6
111.06812	0.3
115.05457	1.5
117.03372	0.7
117.07031	5.3
119.04927	0.6
119.08593	3.4
121.02884	0.4
121.06511	0.6
121.10123	0.3
123.04424	0.3
124.07600	0.5
128.06261	1.0
129.07021	1.4
130.07747	1.1
131.04951	1.1
131.08580	4.5
133.02869	3.4
133.06499	2.5
133.10146	1.5
135.04399	0.9
135.08043	0.7
137.05948	0.2
139.03896	0.5
139.09938	2.0
141.06950	0.7
142.07779	0.4
143.08543	0.7
145.02818	1.3
145.06491	2.2
145.10138	7.8
146.10910	1.3
147.04416	0.8
147.08060	1.0
147.11700	5.1
149.06053	0.3
149.09677	0.3
149.13231	0.3
151.03900	0.6
152.06232	0.3
153.07016	0.6
155.08578	1.0
157.06461	0.5
157.10109	0.8
158.07277	0.3
159.04442	2.4
159.08064	0.6
161.02351	3.4
161.05992	3.6
161.09702	0.3
162.03145	0.2
163.03900	4.6
165.07019	0.9
166.07782	0.2
167.07024	0.3
169.06439	0.4
171.04395	0.3
171.08073	0.4
173.02365	5.5
173.05997	2.2
173.09659	4.1
174.10449	1.0
174.12793	0.2
175.03938	0.5
175.11208	1.6
177.05510	0.4
179.03474	1.0
179.08560	0.4
181.04968	0.2
181.06474	0.5
183.04443	0.5
183.08072	0.4
184.05302	0.2
185.06020	0.9
187.03920	100.0
188.04340	0.6
189.01804	0.3
189.05450	1.2
191.03404	0.7
193.06496	0.3
193.10118	0.4
195.08054	0.5
197.06007	1.5
198.06769	0.6
199.03896	0.9
199.07526	0.6
201.05489	5.2
203.06996	0.4
203.08650	0.3
205.04985	6.4
207.08119	0.4
209.06004	0.5
211.07576	2.0
213.05527	1.6
213.09027	0.2
215.03580	0.2
215.07037	1.1
217.05025	0.5
219.06520	0.4
221.05968	0.4
221.09576	0.3
223.07593	0.6
225.09117	0.9
227.07106	0.6
231.06343	0.3
231.08345	0.3
237.09154	0.3
239.07053	6.0
239.10764	0.3
241.08650	0.6
241.12175	0.3
243.06580	0.2
244.17000	1.9
246.18576	4.9
249.09062	1.1
251.06996	0.4
253.08556	0.3
255.06619	0.6
257.08054	0.5
258.11322	0.8
260.12485	0.2
265.12436	0.3
267.10269	1.6
289.12378	0.3
293.11832	0.5
296.95410	0.2
307.08383	0.3
307.13245	0.9
317.11835	0.8
334.14536	0.4
335.12778	5.1
347.07834	0.4
353.14001	0.2
361.09229	3.6
380.22195	2.9
388.19125	0.9
406.20163	39.2
407.20688	0.2
424.21216	9.8
436.07477	0.8
509.17856	1.4
580.25470	29.1
581.25812	0.4
598.26520	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	598.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.6
53.03941	4.8
55.01857	2.8
55.05520	7.3
56.05030	2.2
58.06589	1.2
63.57540	1.0
65.03929	6.5
67.05178	2.0
67.05511	25.4
69.03434	3.2
69.07051	1.1
69.58051	6.1
70.06588	3.0
71.07372	6.5
72.08160	25.0
77.03935	1.9
79.05498	37.7
81.03432	5.7
81.07056	13.3
83.04973	4.7
86.09724	1.1
91.05483	31.2
92.06268	2.4
93.07058	9.4
95.04971	27.4
95.08616	2.3
96.04486	1.6
98.06023	1.3
98.20827	1.4
103.05463	4.5
105.03390	2.6
105.04485	1.2
105.07036	44.9
106.07806	2.6
107.04982	5.6
107.08604	26.0
109.06498	2.3
111.04447	3.2
111.06784	1.2
115.05474	3.8
116.06227	2.8
117.07021	20.0
118.07817	3.4
119.04983	1.8
119.08580	7.7
120.08169	1.4
120.17299	1.0
121.02789	1.2
121.06470	1.8
121.10145	1.7
124.07565	2.0
128.06168	2.1
129.07004	3.1
130.07816	6.8
131.04927	3.1
131.08574	21.8
133.02834	8.0
133.06485	5.2
133.10133	4.2
134.03525	1.3
135.04425	2.9
138.09073	1.3
139.03923	1.3
139.09933	8.4
142.07767	1.3
143.08591	3.5
144.05620	1.7
145.02861	2.5
145.06520	7.8
145.10132	48.0
146.10931	12.7
147.04413	3.2
147.08076	3.4
147.11681	12.4
149.13284	1.7
153.06946	1.0
155.08589	3.5
159.04465	4.2
159.08078	1.4
161.02338	7.2
161.05980	3.5
163.03920	14.7
165.09132	1.5
167.07079	1.4
167.08487	1.5
169.06450	1.8
173.02351	28.3
173.06018	4.2
173.09639	12.6
174.10403	3.8
175.03876	1.5
175.11220	4.8
179.08621	1.6
187.03914	100.0
189.05478	4.9
190.12529	1.1
191.03429	3.9
196.88507	1.1
197.05984	2.5
199.03923	11.1
201.05476	8.7
205.04945	3.9
207.08035	1.3
211.07523	3.1
213.05486	3.5
217.04984	2.9
221.09663	1.9
225.05495	1.8
225.09113	4.2
227.07068	3.0
239.07036	7.5
239.10759	2.2
241.04866	1.2
241.08685	1.4
244.17021	3.5
245.17677	1.3
246.18579	26.6
249.09009	2.4
251.07129	2.0
253.08661	12.5
267.10184	4.6
291.09943	1.5
293.11612	1.2
307.13303	5.0
335.12869	10.9
347.07709	1.2
351.18237	1.2
353.13885	7.0
361.09134	2.0
380.22119	3.6
388.18985	1.3
406.20142	93.0
407.20682	1.5
424.21213	15.3
509.17926	7.6
562.24158	1.4
580.25452	99.8
598.26343	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01862	0.8
55.05513	3.1
56.05014	0.7
57.03445	0.3
58.06573	0.5
63.02386	0.5
65.03943	2.0
67.05510	10.0
68.02630	0.5
69.03427	1.3
69.80099	1.2
70.06583	1.0
71.07380	2.7
72.08163	13.0
77.03922	0.8
78.04709	0.6
79.05499	19.4
80.06261	0.5
81.03437	1.8
81.07064	2.6
83.04982	1.9
85.02905	0.3
89.03905	0.7
91.05489	9.2
93.03393	0.6
93.07051	2.3
95.04375	0.5
95.04974	8.5
95.08602	0.9
96.04472	0.7
96.05737	0.6
98.06043	0.6
98.20756	0.5
103.05482	2.6
105.03395	1.4
105.04524	0.9
105.07041	17.0
106.07202	0.2
106.07832	3.0
107.04964	2.1
107.08604	12.9
109.06543	0.6
109.10164	0.3
111.04454	2.8
111.06831	0.3
115.05471	0.7
117.03364	1.1
117.07021	2.8
119.04939	0.5
119.06079	0.3
119.08575	2.5
121.02882	0.6
121.06511	0.6
123.04414	0.4
124.07580	0.8
128.06227	0.5
129.07008	1.2
130.07762	0.4
131.04945	1.9
131.08582	4.0
133.02863	4.2
133.06528	2.1
133.10114	1.5
134.03650	0.5
135.04417	1.6
135.08043	0.5
135.11736	0.4
137.06056	0.3
139.03902	0.7
139.09944	3.3
141.06972	0.6
143.08559	0.8
144.05667	0.2
145.02866	1.4
145.10130	3.9
146.10902	0.3
147.04431	1.3
147.08035	1.1
147.11661	2.2
149.13249	0.4
151.03802	0.5
152.10727	0.3
153.06958	0.5
155.04967	0.3
155.06090	0.3
155.08545	0.9
157.06517	0.7
159.04456	1.6
159.08058	0.5
161.02354	3.3
161.05972	3.2
163.01526	0.3
163.03912	4.4
163.07520	0.9
165.07039	0.6
167.07076	0.4
167.08505	0.3
169.06549	0.4
169.10094	0.4
171.04367	0.4
171.08049	0.5
173.02342	4.8
173.05974	2.1
173.09644	3.1
174.06833	0.3
174.10466	0.7
175.03911	0.6
175.11191	1.6
177.05508	0.4
179.03410	1.4
179.08586	0.8
181.06526	0.8
182.07231	0.3
183.04451	0.6
183.08066	0.8
185.05975	1.0
187.03918	100.0
188.04449	0.5
189.05496	2.7
189.09163	0.3
191.03358	0.8
193.06456	0.5
195.08066	0.5
197.06038	1.7
197.07607	0.3
197.09717	0.7
198.06816	0.5
199.03880	0.3
199.07524	0.6
200.04680	0.4
201.03743	0.5
201.05493	4.5
203.08664	0.4
205.04979	8.1
206.07370	0.3
206.15428	0.7
207.08009	0.7
209.05981	0.4
210.06789	0.5
211.07565	2.1
213.05498	1.6
215.07057	0.7
218.15404	0.3
219.06421	0.3
221.05954	0.4
221.09596	0.8
223.07570	0.5
224.08249	0.4
225.09067	1.8
227.06981	0.4
231.06450	0.6
235.07806	0.3
239.07050	5.1
239.10695	1.3
241.04993	0.8
241.08597	0.7
241.12358	0.3
244.16951	1.4
246.18546	9.8
249.09088	1.5
251.06969	0.3
253.08546	0.3
255.06575	0.7
257.08136	0.3
258.11288	1.3
265.08572	0.3
267.10211	4.8
285.10983	1.2
289.12250	0.2
307.08121	0.5
307.13333	0.7
317.11832	0.6
334.14450	0.3
335.08563	0.4
335.12756	4.8
337.14432	0.4
347.07681	0.3
352.43756	0.3
361.09259	3.7
375.10776	0.5
380.22192	1.8
388.19110	0.9
406.20151	35.4
424.21204	6.8
441.15591	0.4
509.18280	3.4
580.25452	44.3
581.25555	0.8
598.26526	24.0
599.27460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01889	0.8
55.05515	1.6
60.88791	0.7
65.03954	1.6
65.59909	0.7
67.05515	14.2
69.03454	1.0
69.07077	0.8
69.67989	2.0
69.68406	3.8
70.06590	2.6
71.07368	3.8
72.08165	10.3
79.05499	19.4
81.03432	1.7
81.07058	2.2
88.34401	0.8
91.05482	9.4
93.07050	2.7
95.04979	3.2
95.08616	1.1
96.04446	0.9
103.05465	2.7
105.07042	15.1
106.07823	2.3
107.04971	1.3
107.08612	12.5
109.06496	1.0
109.10170	1.4
111.06824	1.0
116.07101	1.3
117.07054	4.8
119.05005	1.0
119.08602	2.5
121.06519	1.0
124.07642	1.0
129.07013	1.2
130.07837	0.9
131.08597	6.8
133.02850	1.9
133.06506	2.7
133.10138	2.1
135.04434	1.8
135.08029	1.0
136.12048	0.8
137.06030	0.9
139.09956	5.1
143.08568	1.0
145.06569	4.2
145.10155	5.3
147.11716	3.3
155.08560	1.1
159.04520	2.2
159.08113	1.0
161.02370	3.6
161.06000	9.2
163.03947	3.8
163.07573	1.8
167.07181	1.1
173.02376	6.2
173.06018	1.8
173.09653	4.3
175.07423	1.0
175.11261	1.7
185.06094	0.9
187.03922	100.0
189.05498	3.1
197.06012	1.6
198.06796	1.0
201.05492	5.1
205.04958	4.3
206.15437	1.2
211.07542	1.9
213.05475	1.8
215.06815	1.0
225.09196	1.6
239.07030	5.2
239.10771	1.0
241.05035	1.0
241.08717	1.1
241.12320	2.6
244.17126	1.1
246.18486	10.4
247.11305	1.0
249.09134	1.0
267.10266	3.1
335.12741	4.7
380.22198	10.4
406.20163	42.7
424.21198	37.9
471.69339	0.9
580.25543	18.3
598.26404	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	598.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.7
57.03421	2.4
58.06598	2.6
69.03425	4.1
69.58009	6.7
70.06593	2.9
71.04986	1.6
72.08155	1.2
79.05487	4.6
81.03424	13.8
81.07072	2.0
84.08174	1.5
85.02912	11.9
86.68582	1.3
91.05485	3.9
93.07033	2.7
95.04948	2.4
97.02895	3.8
103.05442	3.8
105.07040	3.3
107.04969	9.9
107.08569	1.9
109.02878	2.2
115.05436	6.2
116.07049	1.7
117.07019	15.8
123.04421	4.0
124.05195	2.2
127.03874	3.4
129.07024	3.1
130.04153	2.2
131.04932	2.6
131.08553	3.5
133.06485	2.6
135.04370	1.4
141.06982	2.5
144.05684	2.7
145.04935	2.4
145.06496	36.3
147.04420	3.6
149.28770	1.3
151.03917	2.2
153.05553	2.0
155.06049	5.1
156.05701	6.8
157.06465	2.3
159.08073	7.6
161.05954	3.1
162.07626	2.0
167.07059	55.2
169.07590	1.5
173.06004	62.1
177.05478	1.8
180.08720	4.2
181.04999	1.7
184.05185	3.7
187.07530	5.3
190.06270	35.1
191.06990	2.7
193.08626	2.6
202.06352	5.7
203.07108	7.6
205.08623	100.0
207.06548	2.8
217.08620	42.0
219.08176	1.6
219.10229	3.5
223.09608	2.2
231.08107	1.7
232.08641	1.5
234.08612	1.7
235.09666	26.0
247.09766	8.0
248.08316	1.6
265.10745	32.2
271.09543	2.9
276.07852	1.7
279.10165	2.1
291.10278	2.3
293.08176	1.7
307.09869	1.9
315.08627	3.5
323.12723	1.7
330.11081	6.5
331.11722	3.6
348.08264	1.9
351.12213	2.5
371.14783	2.8
379.69724	1.2
383.14890	10.9
401.16122	14.1
407.50284	1.2
418.15842	1.6
540.92322	1.3
598.27002	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	597.3041
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03946	0.9
55.05270	1.1
55.05516	11.7
57.03448	7.1
57.07069	1.4
59.27263	0.6
61.90778	0.7
65.03919	1.0
67.05513	23.6
69.06734	0.9
69.07079	13.5
69.32168	1.6
69.32581	3.0
71.04977	0.9
79.05507	8.6
81.03445	3.2
81.06586	1.2
81.07064	22.8
83.04974	0.8
83.08228	0.6
83.08636	6.8
85.68678	0.5
91.05495	4.5
93.07052	7.7
95.08615	18.3
97.06530	1.7
97.10173	2.3
98.98484	10.0
105.07056	4.1
107.08621	4.8
109.02913	1.6
109.10171	7.6
119.08607	3.0
121.10155	4.2
123.11704	2.7
127.03951	0.7
133.10149	2.5
135.11688	1.4
137.13283	1.1
147.11713	1.8
155.01048	2.2
161.13235	1.5
175.14967	0.6
233.08083	0.6
261.03738	1.5
263.23779	1.3
317.06476	0.8
335.07330	1.7
337.27396	100.0
338.27438	0.7
380.42017	0.7
433.60934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01879	1.5
57.03429	0.9
58.06586	1.0
58.79910	0.6
61.02923	1.7
65.03940	2.0
67.05509	1.0
69.03447	6.3
69.25041	0.6
70.06583	1.7
71.05003	3.8
71.52815	1.1
72.05309	0.6
73.02924	1.2
78.04729	0.7
79.05493	5.0
79.63892	0.6
81.03416	3.2
81.07053	0.9
82.04209	1.0
83.04977	0.9
85.02440	0.9
85.02917	11.6
86.03231	1.2
86.09713	1.0
88.45983	0.7
91.05482	3.1
91.24276	0.7
95.04968	1.7
95.08598	0.7
97.02895	2.7
97.06535	0.9
103.05463	1.1
105.04570	0.8
105.07027	2.2
107.04971	9.5
109.02888	1.4
111.04419	0.9
115.05460	2.5
116.06226	0.8
117.07033	2.1
119.08576	1.1
121.06484	0.8
123.04423	2.3
124.05198	2.0
125.06009	1.8
127.03944	5.6
129.05537	1.0
129.07040	2.1
131.04932	2.0
131.08522	1.7
133.06508	2.7
133.10086	1.0
137.05948	1.3
139.03893	0.7
141.06972	2.0
142.02679	1.3
143.04881	0.8
144.05704	2.6
145.06485	6.0
147.04417	1.5
147.08115	1.1
151.03922	1.8
151.07526	1.1
153.05467	1.4
155.06018	1.5
155.07127	1.1
157.06497	2.2
159.08040	3.2
160.05235	0.8
161.06004	2.9
167.07059	35.0
170.03656	0.8
171.06476	1.4
172.05209	11.9
173.05986	5.4
175.07539	1.9
177.05479	1.6
177.09299	0.7
181.04977	41.0
185.06093	1.6
187.07530	4.9
189.05455	2.7
190.06230	1.3
191.07010	1.2
191.10684	1.7
193.08591	0.7
195.06548	2.0
200.04694	8.4
201.05547	3.9
203.07063	1.6
205.08615	3.4
206.05748	1.3
207.10184	1.3
209.08153	0.9
213.05316	0.9
217.08624	1.9
218.05757	11.4
219.06493	1.6
219.10208	3.0
221.08176	3.5
231.06439	1.0
233.08110	100.0
235.09711	2.1
245.08167	1.6
247.07491	0.9
251.06940	1.0
251.09273	2.1
263.09192	35.5
273.83484	0.8
277.08728	0.7
279.10056	1.7
281.10269	1.7
287.05417	0.8
289.05887	0.8
303.05023	2.7
304.05356	2.1
305.05429	1.7
307.09598	2.3
323.09192	0.9
331.08344	1.0
339.12259	1.3
346.10654	1.1
353.10092	0.8
355.11957	1.1
367.11743	2.8
371.14938	1.1
381.13135	1.1
384.12302	1.4
387.14426	4.5
399.14526	5.3
417.15491	54.1
419.16861	0.9
435.16379	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	597.1824
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
53.11326	2.7
55.01888	7.1
57.03433	7.1
58.06610	4.4
65.03963	4.5
69.03448	7.1
69.67912	4.7
69.68322	14.9
70.06590	8.6
72.08173	3.5
79.05499	5.5
81.03413	11.8
81.07076	3.5
83.04971	3.6
84.31486	2.7
85.02920	26.5
87.05560	3.1
91.05501	8.5
93.03403	14.4
95.01331	3.7
95.04980	7.3
97.02890	9.2
103.03948	3.5
103.05476	3.1
105.03398	5.9
107.04969	34.6
108.05328	4.3
109.02882	13.7
111.04498	4.6
115.05469	5.4
116.19627	2.7
119.04977	12.6
121.02887	32.3
121.06519	8.3
123.04453	14.7
127.03944	4.5
131.04990	6.8
133.02859	3.1
133.06465	4.1
135.04424	21.0
137.02327	3.7
137.06006	5.6
139.03900	9.0
143.04950	5.7
145.06493	4.7
147.04430	50.2
149.02361	6.2
150.05484	2.8
151.03923	10.1
153.01846	5.6
155.05768	3.3
159.04434	10.2
160.10030	4.2
161.06018	8.3
162.06242	2.9
163.03899	16.2
164.06978	3.1
165.01862	11.2
167.07079	8.4
173.02359	7.5
173.06000	8.5
175.00287	4.5
175.03905	9.1
175.07619	6.1
177.01859	23.8
177.05495	9.8
181.05006	14.0
187.03937	9.9
187.07498	4.0
189.01820	28.1
189.05493	4.6
191.03409	15.8
195.02896	30.3
201.01860	5.6
201.05473	13.9
203.03436	13.2
205.01332	11.3
207.02928	41.7
213.05492	6.1
215.03477	9.7
217.01416	5.1
217.04997	4.0
219.02936	83.6
221.04425	6.9
223.02443	9.2
225.03951	12.5
227.03464	5.1
229.04985	20.5
231.02904	51.3
233.04459	25.1
233.08151	3.2
237.03981	21.8
241.04948	4.3
243.02864	29.9
243.06554	6.7
245.04520	8.6
247.06021	4.9
249.03880	17.1
253.05038	3.8
255.02940	8.7
257.04510	12.2
259.02277	4.0
261.03964	100.0
269.04483	9.7
271.06110	7.5
272.12936	4.2
273.03946	45.6
273.13071	5.7
281.04492	5.0
285.04028	45.6
285.07156	5.7
287.05521	38.1
288.05869	26.2
289.03378	4.1
289.06131	31.1
291.05087	20.0
297.03979	15.2
297.07590	16.8
299.05457	12.9
303.04996	33.7
309.03894	5.7
309.07620	7.4
315.04956	10.1
321.06030	14.8
327.05005	39.4
327.08728	21.1
339.08148	25.2
345.06122	14.4
351.08698	17.4
357.06082	10.4
357.09921	4.9
363.07248	31.7
369.06000	4.0
373.13062	3.9
375.07144	6.0
381.09683	28.8
387.06982	8.1
393.09793	27.7
405.08554	32.4
411.10532	14.8
417.10010	3.4
417.15463	9.3
423.10281	22.0
429.11887	26.3
435.12708	13.4
441.11209	35.6
447.10696	28.0
459.12927	35.1
465.11838	6.4
477.11829	9.5
483.12793	13.1
486.33344	3.8
495.12796	13.7
507.13226	9.5
525.13934	15.1
543.15143	16.3
597.24182	35.0
612.55310	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	597.1456
Annotation	Quercetin 3-glucosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
53.03946	0.4
55.01882	0.8
55.91796	0.3
56.73247	0.4
57.03437	4.0
58.06609	0.3
61.02914	1.3
68.99789	0.7
69.03438	5.1
70.06572	0.4
71.52864	0.6
73.02512	0.5
73.02922	8.4
76.74844	0.4
81.03404	1.4
85.02908	7.2
86.09658	0.3
87.04492	0.4
91.05479	0.5
97.02898	6.5
99.04454	0.4
106.02899	0.6
107.04934	0.7
109.02869	1.2
111.00806	0.5
113.27614	0.4
115.03940	3.4
119.04945	0.8
121.02892	0.9
121.98882	0.4
123.04430	0.7
124.03961	1.3
127.03926	1.7
133.04994	0.8
137.02377	3.0
145.04933	1.4
147.04388	0.7
149.02312	0.4
153.01839	3.9
160.07527	0.4
163.03928	0.8
165.01845	2.3
181.04961	0.5
183.02885	0.6
201.05478	1.5
210.14937	0.5
210.64827	0.4
219.06613	0.4
229.04982	4.0
236.29257	0.4
241.06902	0.4
247.06042	0.7
257.04495	2.5
268.08157	0.7
269.08508	0.7
274.04794	0.6
285.03897	1.7
287.05505	0.5
288.06146	0.5
289.05939	0.6
303.05011	100.0
304.05399	0.5
315.04825	2.1
329.06757	0.4
341.06592	0.7
345.06052	2.6
353.06387	0.4
369.06192	1.2
381.06018	0.5
399.07373	2.4
417.08167	0.8
435.09271	4.0
449.11557	0.4
579.17096	0.5
597.17834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49074	2.6
55.05492	4.4
56.66204	2.9
57.07080	29.8
67.05497	4.3
69.07057	5.5
70.29263	2.6
71.08638	33.0
73.06548	6.8
75.86272	2.5
79.05502	5.3
81.07059	4.1
83.08617	6.0
85.10191	18.3
87.04461	5.9
89.05489	5.1
89.06041	100.0
93.07024	4.2
93.12965	2.7
97.10176	5.4
107.07070	3.7
111.11711	4.7
117.09119	5.0
130.08611	4.6
132.53938	2.6
133.08611	61.8
136.42717	2.8
139.14828	3.0
145.10185	3.8
177.11253	21.1
189.40340	3.1
198.76038	3.1
221.13916	6.4
222.30710	2.6
278.76117	2.7
283.17511	3.2
327.20322	13.1
327.31531	3.1
341.34155	7.8
433.24057	3.0
543.07434	2.6
579.48407	20.2
582.58807	3.2
596.47461	13.4
596.59644	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94184	0.5
53.03945	1.2
55.05505	1.8
57.06325	0.5
65.03929	0.7
67.05513	3.8
68.99818	0.8
69.03414	1.0
70.10599	2.1
71.07384	1.4
72.08167	8.0
79.05502	20.1
81.03404	1.8
81.07066	5.0
91.05494	10.7
93.07048	4.2
95.04984	2.7
95.08599	1.3
96.04478	0.7
98.20753	0.7
105.07042	10.0
107.04945	2.4
107.08606	15.0
116.63428	0.5
117.07019	1.2
119.08581	4.1
121.06511	2.4
124.07588	0.8
127.76060	0.6
129.07031	0.9
131.08563	1.9
133.06514	2.8
133.10146	4.3
135.04428	15.8
139.00255	2.7
139.09943	3.8
145.10106	1.4
147.08022	1.5
147.11705	11.0
149.05992	1.5
149.13271	2.3
151.07430	0.6
152.10646	0.8
157.10201	0.6
161.06000	12.7
164.10826	0.8
175.07622	0.9
175.11214	1.2
185.05995	2.5
187.07600	2.0
189.05475	2.6
198.34770	0.6
203.07086	1.4
212.48396	0.6
213.05449	3.0
217.04985	4.2
231.06541	4.7
241.05003	0.9
245.04462	2.0
246.18573	39.3
259.05908	0.9
264.19608	25.3
287.05533	24.0
288.05923	3.9
299.05588	0.8
313.07199	1.0
315.05014	100.0
317.06680	0.7
327.05023	1.4
327.08435	0.7
341.06610	6.2
367.08197	0.8
369.09869	2.8
393.09851	1.5
489.15475	4.5
560.22839	18.7
578.23810	1.6
610.15375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54480	3.3
53.03951	9.7
55.05503	13.6
57.03444	4.3
57.07073	7.2
67.05508	27.3
69.03433	24.0
69.07072	39.5
70.13003	13.6
71.05003	6.3
71.08607	3.6
79.05470	8.1
81.03420	23.4
81.07066	55.1
83.04977	7.9
83.08624	20.9
85.02428	6.3
85.02908	52.0
85.06548	4.7
87.00854	3.9
91.05466	5.4
91.27745	3.5
93.07044	10.0
95.08616	68.0
97.02901	19.2
97.06535	4.5
97.10178	15.8
99.04466	28.9
99.08089	6.5
103.03944	25.0
105.01884	18.2
107.08559	8.5
109.02880	43.0
109.10172	40.1
111.11736	15.0
121.06574	3.6
121.10149	8.9
123.11707	23.2
125.13280	17.3
126.41653	3.6
127.03928	100.0
127.04832	7.6
135.11678	4.9
137.13266	22.3
139.14780	6.0
145.04967	34.3
145.10156	3.8
149.13242	7.7
151.14799	11.2
160.19444	4.1
161.06004	4.3
163.06059	8.1
163.14880	4.4
165.16425	9.8
167.07040	5.5
169.04892	4.1
187.06079	12.0
249.06114	6.1
253.07133	8.2
271.08185	10.1
275.27267	6.1
289.09216	4.0
293.28421	29.5
311.29926	3.9
397.11002	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	595.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.0
55.05513	22.6
57.07072	11.3
65.74214	4.3
67.05521	24.9
69.03434	12.3
69.07076	62.0
71.08631	8.4
71.52880	6.6
79.05500	15.4
79.51656	4.4
81.03425	10.8
81.07060	100.0
83.08629	34.0
85.02927	26.4
85.06534	10.5
87.00826	10.2
91.05470	10.3
92.58716	3.8
93.07059	23.9
95.04958	7.4
95.08619	80.3
97.02927	9.7
97.06534	19.3
97.10188	22.5
99.04480	8.8
99.08138	10.8
105.01865	7.6
105.07056	10.1
107.04971	5.4
107.08607	28.9
109.02877	10.7
109.10170	62.4
111.08060	7.0
111.11734	19.9
119.08603	8.5
121.02840	8.2
121.06512	6.5
121.10155	10.6
123.11716	46.2
125.13312	9.6
127.03886	16.8
135.04401	5.6
135.11746	8.2
135.83868	5.1
137.05966	7.4
137.13261	27.7
145.05029	5.6
145.10184	4.5
149.13245	17.4
151.00227	4.3
151.14825	15.0
159.02888	7.1
165.16377	6.8
167.07024	8.1
179.17972	6.6
191.17935	4.8
191.66536	4.8
193.19585	8.4
207.21242	4.7
219.21150	8.0
231.05042	4.4
263.27304	5.9
275.27332	8.3
281.28467	34.4
283.05872	6.7
287.05530	17.0
293.28436	41.7
311.29379	33.8
313.07074	10.8
336.54495	4.2
337.06967	6.2
433.10632	5.1
505.31558	6.0
543.94214	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	595.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.05515	2.5
57.07076	2.1
57.72500	0.9
59.13090	0.9
61.02911	0.8
67.05511	5.2
69.03432	4.7
69.07071	7.2
70.06583	0.9
70.07793	1.0
71.04990	0.9
71.53297	1.4
72.08144	2.5
79.05487	4.7
81.03439	4.7
81.07057	11.6
83.08628	4.5
85.02916	9.1
85.06545	1.2
87.00838	3.4
91.05447	4.7
93.07042	5.0
95.04957	2.1
95.08617	10.5
97.02903	3.2
97.06561	1.6
97.10172	3.7
99.04430	1.2
105.01870	6.7
105.07043	3.4
107.04922	2.1
107.08611	4.9
109.02884	2.4
109.06509	1.2
109.10146	7.4
111.11749	1.9
115.05473	1.3
117.07028	1.1
119.04902	1.1
119.08585	1.2
121.02932	1.2
121.10162	4.1
123.04379	1.2
123.11703	5.7
125.13274	2.3
127.03928	7.0
131.04910	1.4
131.08653	1.2
133.06502	1.0
133.10152	1.4
135.11720	2.8
137.02347	2.1
137.05997	1.3
137.13287	4.1
139.03874	1.2
145.05008	1.4
145.06525	2.1
145.10147	1.8
147.04399	2.2
149.13280	4.5
151.03917	2.4
151.14827	2.1
153.47272	1.0
163.03885	1.6
163.14912	1.3
165.09113	1.0
165.16411	1.2
167.07089	6.9
167.14366	1.9
173.13382	1.3
175.04022	1.5
175.07599	1.1
177.05536	1.4
181.05025	2.7
183.02925	1.3
197.27742	1.0
207.06535	1.9
213.05547	1.7
231.04875	1.9
239.15668	1.0
240.97821	1.2
249.06049	1.4
262.18069	1.1
275.27396	2.0
281.08780	0.9
287.05527	100.0
288.05786	2.0
293.28448	4.7
315.08795	0.9
332.05325	3.3
347.07687	20.8
361.64914	1.1
398.75827	1.2
429.66879	1.1
570.44812	1.1
590.54565	1.1
595.15497	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.0
55.01871	5.2
55.05520	20.0
57.03441	5.1
57.07064	9.1
58.80978	3.0
61.02915	5.2
63.66167	3.1
65.03951	4.2
67.05499	26.6
67.91853	3.4
69.03438	30.7
69.07079	61.9
70.02857	16.5
70.06569	4.0
71.08649	4.4
79.05499	11.0
81.03423	17.3
81.07066	100.0
83.04995	3.5
83.08624	32.8
84.10030	3.6
85.02909	66.1
85.06547	6.4
87.00848	27.5
91.05490	8.6
93.07050	19.2
94.67551	3.2
95.04996	4.1
95.08612	93.1
97.02892	21.1
97.06535	10.9
97.10162	21.9
99.04465	9.5
99.08095	6.8
103.05483	6.0
105.01875	49.8
105.06994	8.3
107.08613	18.3
109.02907	18.0
109.06561	4.8
109.10169	47.7
111.08101	8.6
111.11729	20.3
115.03931	5.2
119.08604	5.9
121.06529	3.4
121.10168	14.5
123.11713	37.9
125.13248	21.2
127.03913	30.8
131.04948	21.4
131.08566	4.1
133.10162	6.0
135.11708	14.1
137.06004	4.3
137.13275	31.3
139.14810	4.6
145.04988	13.6
145.10135	7.6
147.02859	4.0
147.08063	4.4
149.13234	16.5
151.14835	13.5
159.02879	5.9
163.14888	10.0
165.16397	8.4
167.07037	9.7
176.90378	3.6
177.16489	6.0
179.17909	4.6
188.13759	3.6
191.17953	4.1
193.19595	5.7
219.05040	4.0
231.04984	15.4
249.06136	14.4
275.27338	12.0
287.05670	4.5
293.28427	41.0
295.05701	4.8
303.05045	13.8
305.28403	4.9
311.29529	5.0
383.29358	6.2
401.30676	4.5
487.30682	8.0
505.31546	11.2
564.09467	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	595.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.05521	7.7
57.03444	7.6
57.07061	0.5
65.03927	1.4
67.05514	28.0
67.05880	1.3
69.03410	0.9
69.07078	5.6
70.03505	2.4
71.04971	1.1
79.05505	16.1
81.03413	3.0
81.07065	24.4
83.08660	2.6
85.06542	0.7
91.05492	7.5
93.06485	1.2
93.07052	18.2
95.04968	1.3
95.08616	22.3
97.06524	0.9
97.10184	0.9
98.97867	0.8
98.98479	10.6
105.04543	0.7
105.07030	4.0
107.08604	8.3
109.02880	3.3
109.10173	7.2
111.08081	0.8
117.07035	1.5
119.08589	3.3
121.10162	6.9
122.18740	0.5
123.08092	0.7
123.11713	2.3
127.03984	0.7
131.08578	2.1
133.10155	2.9
135.11691	3.4
137.13261	0.6
145.10139	1.7
147.11703	1.3
149.13252	1.7
155.01100	2.2
159.11705	0.9
161.13249	1.1
163.06085	0.8
163.14816	0.6
173.02145	0.9
173.09250	0.6
173.13254	0.8
187.14828	1.0
243.21129	1.5
261.03586	3.1
261.22177	2.9
287.05511	4.6
317.24814	1.4
335.07339	1.0
335.25833	100.0
369.56296	0.6
430.01764	0.6
584.52325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.1
57.03433	5.8
58.15785	1.6
67.05511	28.0
69.07053	6.6
69.07386	1.5
70.25858	3.3
70.26254	2.5
71.04980	1.5
72.08141	1.6
72.21745	1.4
79.05502	16.8
81.03421	5.0
81.07068	24.4
83.08615	2.5
91.05474	8.3
93.07045	19.4
95.08620	20.7
95.85800	1.4
97.10167	1.5
98.20887	2.2
98.98479	13.8
100.39332	1.4
105.07032	5.0
107.08600	9.3
109.02884	4.1
109.10160	7.1
119.08573	3.2
121.10136	8.0
123.11684	2.1
131.08563	3.4
133.10143	3.0
135.11700	4.4
149.13246	2.5
151.07544	3.0
159.41283	1.5
200.48845	1.7
225.19507	1.5
261.03793	2.9
261.22168	3.7
287.05518	38.9
317.24600	2.8
335.25827	100.0
347.07547	4.2
363.36746	1.5
436.00797	1.6
507.82578	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	595.1653
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
56.00256	0.1
56.42278	0.1
62.09026	0.1
64.12603	0.1
68.99775	0.2
69.28383	1.1
70.06555	0.3
71.04976	0.1
84.08134	0.2
107.04873	0.1
115.05415	0.2
121.02885	0.2
129.07086	0.1
137.02342	1.7
141.06987	0.2
143.04887	0.2
146.85440	0.1
147.04504	0.1
149.02299	0.5
157.06491	0.3
160.07576	0.3
161.05960	0.3
163.03970	0.2
165.01816	0.1
171.04373	0.2
175.03902	0.3
175.11942	0.2
185.05956	0.4
189.05455	0.3
197.06044	0.1
213.05463	1.9
216.04221	0.2
231.06506	0.5
241.04889	0.8
242.05667	0.2
259.06116	0.2
269.04495	0.4
287.05499	100.0
288.05737	0.6
449.10791	1.8
452.43869	0.1
595.16632	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	595.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10773	0.9
55.07358	0.8
56.05661	0.8
61.36472	0.9
64.36920	0.9
69.74010	4.3
70.06594	15.6
70.66069	0.9
78.40095	1.1
82.99855	1.5
96.87539	0.9
96.92783	1.1
97.02921	1.0
101.00887	4.0
113.00878	1.1
119.01934	3.5
127.02469	2.2
129.01329	1.3
131.01898	2.3
138.01805	1.8
143.01886	12.2
144.01772	2.0
145.03502	3.3
152.05624	2.9
153.02371	1.5
153.03979	1.5
155.01900	7.5
157.03477	2.6
161.02998	4.8
167.01903	7.2
170.06645	7.8
173.02979	7.7
174.02968	2.0
174.06171	1.3
179.01933	4.3
180.05052	2.1
182.06618	2.2
185.02960	19.4
186.52856	1.0
187.04529	2.9
197.02951	7.1
198.06131	100.0
203.04022	4.3
204.03996	2.8
210.06154	7.9
215.03973	5.6
216.07181	40.8
221.05127	1.4
227.04066	4.4
228.07114	7.4
234.08261	3.5
239.08813	1.2
240.07245	3.6
245.05093	63.2
246.08380	1.5
252.07329	1.3
253.60153	1.0
257.05106	3.1
258.08258	36.7
263.06104	8.3
270.08145	1.5
275.06247	5.6
276.09195	2.0
284.56644	1.1
285.06561	1.3
288.09375	6.6
300.09256	4.1
305.07208	8.8
312.98367	2.0
313.01807	3.2
318.10327	10.5
331.02747	3.5
335.08319	1.9
336.11618	1.5
360.11255	3.5
365.09344	10.9
366.09283	2.5
432.23474	1.1
480.15665	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
57.03436	2.7
65.03928	1.9
65.44328	1.5
69.03413	1.5
70.06592	1.7
70.10031	5.2
81.03416	1.8
85.02907	7.2
93.03416	2.3
103.03937	2.4
109.02916	1.7
119.04947	8.2
121.02878	30.0
128.64789	1.5
145.02829	5.2
147.04335	3.0
159.04451	1.6
163.03879	4.3
165.01886	3.0
173.02327	2.4
177.01865	4.6
179.03401	3.8
187.03816	1.6
189.01822	9.7
191.03438	4.9
195.02885	4.5
203.03430	11.2
207.02936	6.9
213.05537	2.1
215.03409	3.2
217.05096	3.4
219.02910	4.6
221.04491	2.3
227.03430	1.8
229.04941	4.5
233.04424	3.4
243.02831	2.2
255.03053	1.8
257.04553	1.6
267.06573	3.5
268.07266	3.1
270.05127	1.5
271.05972	2.1
279.06482	4.8
280.07214	2.4
281.08011	5.5
283.06039	14.3
284.06735	2.6
285.04028	3.3
287.05527	26.8
291.06448	2.1
293.08115	4.3
294.05270	20.4
295.06039	82.8
296.06845	7.2
297.07553	9.3
305.08060	2.1
307.06042	49.2
308.06805	13.8
309.04111	2.8
309.07623	12.9
313.07138	12.0
319.06061	8.3
320.06662	4.2
321.03983	1.3
321.07562	22.5
322.08276	10.2
323.05515	4.3
323.09201	6.3
325.07077	86.0
333.07632	9.4
335.05484	1.6
335.09161	17.0
336.06299	2.4
337.07080	63.6
337.11115	3.5
339.08710	2.1
345.07468	4.5
346.08499	1.7
347.09259	10.1
349.07132	29.1
351.08670	22.5
355.08139	19.6
357.07663	2.4
360.06210	1.6
361.07053	16.5
361.10999	1.5
363.08661	6.8
365.06265	1.9
365.10266	11.9
367.08105	5.0
373.07172	6.9
374.07907	1.8
375.08545	10.9
379.08173	47.0
385.06915	2.8
387.08490	3.3
389.10214	3.7
391.08163	28.2
393.09402	2.7
397.09225	2.9
399.08328	2.1
401.10297	2.3
403.08109	24.4
409.03748	2.1
409.09183	38.5
415.09204	4.8
417.09711	2.7
421.09207	22.9
427.10297	36.7
429.09573	1.8
433.11398	8.8
439.10300	32.1
445.09619	7.2
457.11337	100.0
463.10318	4.3
475.12341	22.3
481.11374	25.4
487.10083	3.4
493.11554	3.3
499.12308	24.7
505.11197	6.2
511.12451	23.3
523.12463	19.6
529.13446	13.3
541.13403	28.6
559.14398	29.2
577.15417	17.9
595.16718	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	595.1663
Annotation	Datiscin
Peak:m/z	Relative Intensity
52.88173	0.2
53.03957	0.2
55.01875	0.2
57.03444	1.6
61.02933	0.4
63.91078	0.2
69.03428	1.0
69.32984	0.5
69.33398	1.2
71.05000	8.7
71.38480	0.2
73.02930	0.3
74.55109	0.2
75.04459	0.4
81.03415	0.6
83.04967	0.6
85.02915	13.0
87.04472	0.4
91.03991	0.3
97.02908	1.0
98.20749	0.4
99.04440	0.3
105.03397	0.3
107.04998	0.2
109.02877	0.5
111.00797	0.5
115.19875	0.2
121.02880	1.6
127.03928	0.7
129.05499	2.6
133.02798	0.3
137.02393	0.5
145.04950	0.6
147.04407	0.3
147.06543	0.6
153.01869	2.4
157.06522	0.3
165.01884	1.2
183.02951	0.6
185.05952	0.2
213.05492	0.6
231.06566	0.5
241.05017	0.6
258.05325	0.7
259.06253	0.3
287.05524	100.0
288.05838	0.7
434.49423	0.2
449.10950	0.3
595.16388	0.3
604.62024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.166
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
53.03924	1.2
55.01871	1.9
55.05502	3.4
57.03440	11.8
58.06575	1.7
59.04997	1.0
65.04491	1.0
67.05492	2.8
69.03432	12.7
69.07059	1.0
69.51169	1.0
69.77958	6.4
70.06598	2.2
71.01336	2.5
71.04996	63.7
72.08154	2.5
73.02921	11.9
73.08483	0.9
75.04466	4.3
81.03424	2.8
81.07036	2.0
83.04991	11.3
84.08125	1.2
85.02911	79.7
86.07171	0.9
91.05492	2.1
93.07059	2.3
95.04959	2.9
97.02869	2.5
97.06503	1.7
99.04460	4.3
105.07040	3.0
109.02887	2.3
111.04448	9.2
113.06014	2.6
117.05497	9.4
117.06958	1.1
120.29489	1.3
121.02866	2.1
123.04417	2.5
124.03925	1.2
125.05984	1.2
127.03931	3.3
128.59702	0.9
129.05486	21.2
129.06956	1.1
130.08627	1.1
131.08553	1.2
137.02335	6.7
145.06551	1.1
147.04433	2.4
147.06535	6.3
147.07866	1.1
149.06085	1.3
151.03900	2.4
153.01817	3.0
153.05487	3.8
157.04964	1.1
161.05968	1.2
163.06027	12.1
165.01836	3.2
177.05421	1.2
182.05150	1.1
183.02904	1.9
207.06570	1.3
213.05479	1.1
229.05035	3.5
239.09163	3.4
247.06047	1.4
257.04520	2.3
257.10349	1.3
282.20496	3.3
283.20935	1.9
287.05508	23.1
300.21741	4.0
301.03470	1.2
301.22000	3.2
302.04126	1.2
303.05014	100.0
304.05539	1.5
315.04971	9.0
316.05832	1.9
327.04941	3.4
332.05222	3.1
341.06329	2.5
345.06110	19.5
347.07578	23.7
363.58768	1.2
369.06113	6.9
395.07510	3.4
413.08658	12.2
431.09570	6.1
445.77072	1.5
449.10834	19.5
595.15771	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1662
Annotation	2'-Hydroxydaidzein 7,4'-di-O-glucoside
Peak:m/z	Relative Intensity
50.00708	0.4
53.03955	0.4
55.01871	0.7
57.03429	0.5
65.03934	0.5
67.99148	0.4
68.99786	0.6
69.03413	1.6
69.83900	1.9
74.10100	0.4
81.03412	1.0
85.02916	3.5
91.05450	0.4
96.54073	0.4
97.02889	1.7
98.20840	0.6
109.02878	1.4
119.04981	2.1
121.02882	6.1
121.67530	0.4
123.00760	0.7
123.04440	0.4
127.03928	0.5
131.04918	0.6
132.11221	0.4
138.40355	0.4
141.01891	0.7
145.02872	2.0
145.82959	0.5
149.02339	1.9
163.03943	2.9
165.00528	0.8
165.01852	9.1
167.03401	2.2
170.76945	0.4
177.01854	1.7
181.05034	0.6
183.02859	1.9
187.03922	1.7
191.03415	0.8
195.02831	1.2
205.05003	0.6
215.03374	0.5
217.34721	0.4
229.04915	0.8
231.02997	0.6
233.04404	0.6
239.07005	0.6
243.02887	1.3
255.06502	0.5
261.03790	0.5
263.06906	0.5
267.06531	8.5
270.05179	2.2
271.06027	6.8
279.06586	1.0
281.08130	7.6
283.06030	100.0
283.84192	0.5
284.06741	7.6
285.07651	0.6
293.08292	0.5
294.05081	0.5
295.06049	10.6
295.09637	2.3
297.04199	0.9
297.07568	2.0
305.08157	2.4
307.06027	2.7
308.06863	2.0
309.03952	1.7
309.07547	21.3
311.05533	0.6
313.07077	75.3
321.07513	3.3
323.05811	0.6
323.09146	15.4
325.07083	1.0
333.07697	3.4
335.05399	0.8
337.07074	40.8
349.07089	11.6
351.08618	3.1
361.07071	11.5
365.20282	0.5
367.08145	31.0
379.08167	20.3
397.03931	0.8
397.09201	23.0
415.10257	43.6
416.10632	0.7
433.05408	0.8
433.11343	13.5
433.17044	0.9
475.12253	2.7
499.12589	1.1
529.13342	1.1
547.32458	0.5
559.14655	0.8
577.15186	2.6
595.16254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1662
Annotation	2'-Hydroxydaidzein 7,4'-di-O-glucoside
Peak:m/z	Relative Intensity
53.03957	0.5
55.01881	1.1
57.03432	1.5
61.02941	1.1
68.99809	0.8
69.03435	3.7
70.19178	0.5
70.96139	1.4
73.02900	0.9
81.03423	2.5
85.02911	12.1
87.04441	0.9
95.04992	0.9
97.02888	3.1
109.02903	1.8
119.04943	2.2
121.02880	9.1
127.03936	1.7
135.04460	0.6
140.00104	0.6
145.02870	1.0
145.04961	1.4
149.02361	1.8
163.03943	2.5
165.01837	5.5
167.03419	1.6
177.01872	1.8
183.02921	2.2
187.03958	1.3
189.01871	0.7
191.03497	1.2
195.02904	3.3
205.05072	1.0
217.04959	1.4
243.02963	0.9
243.06754	0.8
243.98428	0.6
255.06631	1.7
256.07324	2.9
259.06119	1.3
261.04092	1.0
267.06586	8.0
270.05344	1.9
271.06046	24.7
281.08179	5.0
283.06046	67.7
284.06815	20.3
284.10034	0.9
285.07581	2.3
295.06042	18.6
295.09421	1.2
297.07584	5.9
305.08228	1.2
307.06030	2.3
308.06799	1.7
309.04160	0.8
309.07571	15.3
311.05530	1.6
313.07092	100.0
314.07361	1.0
321.07510	1.6
323.05591	1.2
323.09100	12.7
323.68283	0.6
325.07150	1.4
327.08765	0.9
333.07483	2.3
337.07089	31.5
343.08060	1.8
349.07077	5.3
351.08740	2.9
355.07928	1.0
361.07095	4.0
367.03702	1.3
367.08203	16.6
379.08124	12.3
397.09241	18.1
415.10324	26.8
433.11368	67.5
457.11313	0.8
475.12402	4.1
595.16663	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	595.1662
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
55.01880	0.2
58.06638	0.2
59.07941	0.2
68.99796	0.3
71.49339	0.2
71.51378	0.3
80.69042	0.2
81.03443	0.2
85.02868	0.2
109.02881	0.2
111.00838	0.2
118.06550	1.1
118.77307	0.2
121.02827	0.2
123.04429	0.3
126.31282	0.2
127.03902	0.4
128.07146	0.2
132.08055	0.4
137.02336	1.6
139.03862	0.4
141.05441	0.2
144.08076	0.8
146.06018	4.3
149.02313	0.4
157.06529	0.3
159.09195	0.5
161.06013	0.4
163.03928	0.6
165.01852	0.2
170.06009	0.2
173.05934	0.2
175.03960	0.4
185.06012	0.7
188.07089	7.1
189.05617	0.4
189.07411	0.6
199.03937	0.2
205.09732	3.3
207.10246	0.2
213.05482	2.2
216.04282	0.2
231.06540	0.8
241.05069	0.8
259.06073	0.2
269.04501	0.2
287.05521	100.0
288.05838	0.7
449.10919	2.2
510.58820	0.2
517.61456	0.2
595.16559	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	595.1659
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
53.58142	1.6
54.51693	1.7
55.01860	2.9
56.68494	1.7
57.03421	3.3
69.53504	12.6
81.03399	1.8
85.02890	5.8
103.03955	3.0
109.02921	2.2
119.04942	5.4
121.02865	35.2
133.23907	1.7
145.02870	5.2
156.00246	1.7
163.03889	3.2
175.03893	2.1
177.01845	6.3
178.39711	1.8
179.03503	2.5
187.03680	1.7
189.01932	9.0
190.02570	1.8
191.03378	4.6
195.02911	4.3
199.03903	1.8
201.01862	2.0
203.03386	11.3
207.02864	6.6
215.03406	3.4
217.04953	4.4
219.02919	5.5
227.03409	2.9
229.04977	4.3
231.02887	2.5
241.04826	2.5
255.02870	3.5
257.04489	2.4
268.07272	3.9
270.77484	2.0
279.06534	3.3
281.08038	6.2
283.06134	8.1
285.03815	3.2
287.05511	20.2
291.06754	2.8
293.08087	3.4
294.05212	20.9
295.06003	87.0
296.06723	8.6
297.07574	6.2
305.08002	1.8
307.02664	3.1
307.06042	52.3
307.09494	4.3
308.06766	15.9
309.04367	3.0
309.07547	14.8
313.07062	6.2
317.08188	3.1
318.09055	2.1
319.05945	7.2
320.06848	6.2
321.07574	32.0
322.08313	11.6
323.05560	3.6
323.09128	5.1
325.07059	100.0
333.07520	9.5
335.05463	2.2
335.09061	17.5
336.06293	3.6
337.07056	55.3
337.10944	2.3
339.08691	2.0
345.07382	3.8
346.08078	1.9
347.09186	11.6
349.07111	32.5
349.11072	1.1
351.08569	20.9
355.08191	19.7
357.07507	2.3
361.07013	16.6
361.10861	2.9
363.08664	8.4
365.10306	13.0
367.08115	3.8
373.06964	6.4
374.07730	2.3
375.08578	10.8
377.06686	2.2
379.08136	45.0
385.06839	2.8
387.08926	2.7
389.10373	4.0
391.08096	36.5
401.10211	2.9
403.08194	22.5
409.09201	42.3
415.08307	6.1
417.09683	2.3
421.03912	2.5
421.09225	25.2
427.10306	44.9
433.09177	3.6
439.10190	32.0
445.10120	5.3
457.11304	99.7
463.10065	7.0
475.12338	21.4
481.11380	27.1
487.10458	3.3
493.11169	4.9
499.12436	25.0
505.11243	4.8
511.12418	24.7
523.12360	27.5
529.13342	9.5
541.13373	25.3
559.14484	24.8
577.15588	13.8
595.16022	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	595.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96674	0.2
53.03951	0.6
55.05505	0.6
57.03426	0.5
59.06459	0.3
59.99477	0.3
61.02935	1.7
61.57265	0.3
67.05505	0.7
67.20151	0.2
68.99821	0.3
69.03433	3.5
70.06583	1.1
70.63088	0.3
70.63448	0.8
71.04984	0.5
72.08160	0.3
73.02912	1.0
79.05527	0.3
81.03432	3.0
81.07069	1.2
83.04980	0.3
84.08136	0.6
85.02913	7.1
86.09698	0.5
87.00832	1.8
90.45956	0.3
91.03956	0.9
91.05453	0.6
93.07055	0.6
95.08610	1.1
97.02909	2.1
97.06525	0.5
99.04472	1.3
103.03958	0.4
103.27056	0.3
105.01862	1.1
105.07029	0.6
106.99120	0.2
107.04957	0.4
107.08557	0.4
109.02885	2.8
109.10144	0.3
110.07218	0.3
116.07129	0.3
117.01856	0.3
119.04924	0.3
119.08583	0.4
121.02862	0.8
123.04434	0.4
125.06062	0.3
127.03926	4.7
129.01897	0.4
134.04718	0.3
137.06000	0.6
139.03880	0.3
143.67227	0.2
145.02876	0.3
145.04941	1.2
147.04451	0.5
149.02362	0.3
151.03909	1.4
153.01868	0.4
153.05382	0.3
159.02888	1.2
161.13261	0.5
163.03889	0.5
167.03429	0.5
167.07027	0.5
169.01320	0.5
177.05508	0.4
179.14339	0.6
181.04965	0.4
182.02055	0.4
183.02908	6.8
195.02960	0.6
200.03075	0.3
216.04182	0.3
231.04919	0.4
233.04433	0.3
244.03658	0.5
247.05919	0.3
251.10503	0.3
258.05377	0.6
259.06012	0.8
261.04019	1.0
269.04495	0.4
271.19058	1.1
272.03146	0.7
273.03934	0.9
275.05603	0.6
276.05902	0.5
283.06003	1.1
286.04831	0.5
287.05432	1.8
289.03488	1.1
294.05148	0.3
295.06088	0.6
300.02686	1.0
301.03503	3.8
303.05014	0.9
304.05884	1.6
307.09564	0.4
313.07098	0.9
314.04242	0.9
315.05075	2.6
317.03043	0.5
317.06549	0.4
331.04562	0.8
332.05280	14.3
333.05414	0.3
337.07025	0.9
337.10989	0.4
339.12189	0.7
345.06006	2.6
347.07642	100.0
348.07993	0.7
389.08560	0.8
415.10501	0.3
433.11420	0.6
509.13608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99904	0.1
53.03910	0.4
55.01836	0.4
56.00006	0.1
57.03394	0.3
57.34513	0.1
61.02906	0.2
66.22298	0.2
67.78735	0.1
68.99767	0.4
69.03435	2.8
70.68011	0.4
71.04963	0.3
73.02873	0.4
79.05457	0.2
81.03418	2.1
85.02914	3.9
87.00832	1.2
91.03811	0.1
91.05467	0.3
93.03375	0.1
95.04871	0.1
97.02901	1.2
99.04462	0.9
103.03888	0.2
105.01890	0.9
107.04929	0.3
109.02892	2.5
117.01834	0.2
119.04881	0.5
121.02815	0.3
121.06484	0.2
123.04433	0.2
125.02287	0.2
127.03925	4.5
129.01830	0.3
135.04396	0.2
136.05156	0.4
137.05983	1.4
138.06747	0.4
139.07515	0.2
141.01794	0.2
142.02618	0.2
145.04976	1.4
146.03577	0.5
147.02873	0.3
147.04443	0.6
148.05101	0.2
149.05942	0.2
151.07587	0.7
153.01823	1.0
154.02600	0.2
155.03412	2.0
155.06960	0.2
159.02925	1.2
159.04185	0.2
161.05960	0.2
163.03903	0.3
164.04756	0.2
165.04218	0.2
165.05479	3.3
166.06203	0.3
167.07048	0.2
168.00584	0.6
169.01340	4.3
171.02957	0.2
173.02330	0.2
174.06723	0.1
177.04021	0.1
177.05505	0.2
177.09102	0.1
181.01312	0.9
181.08568	0.7
187.03949	0.2
187.05983	0.2
189.09035	0.2
191.07024	0.2
201.05521	0.2
203.06987	0.2
205.04903	0.2
209.00865	0.1
210.01653	0.7
212.04649	0.2
213.05504	0.2
215.03419	0.2
217.08673	0.8
219.10330	0.2
229.04915	0.4
231.04778	0.7
242.05806	0.2
245.04431	0.2
246.05276	0.2
247.09703	0.2
257.04523	0.9
258.05280	0.6
259.06067	0.2
275.05405	0.2
283.05893	0.3
285.03952	0.7
286.04764	1.0
287.05530	3.6
288.06018	0.3
289.03391	0.2
291.08621	0.3
300.02722	0.2
301.03394	0.2
301.07227	0.2
302.04120	0.4
303.04990	6.4
313.03528	0.4
314.04242	2.0
315.04987	3.1
316.05774	1.0
317.02890	0.9
317.06378	0.3
318.03683	0.9
318.07266	0.3
329.02994	0.2
329.06659	0.4
331.04492	17.2
332.05289	3.0
345.06024	0.9
346.06833	0.5
347.07626	100.0
348.07922	0.8
385.16660	0.2
389.08701	0.5
397.16687	0.2
405.37207	0.2
415.17593	0.5
509.12869	0.4
595.13013	2.5
605.62109	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	595.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31068	0.1
52.13119	0.1
53.03954	1.0
53.30323	0.1
55.01879	0.6
55.05535	0.1
55.34274	0.1
57.03449	0.5
58.06609	0.2
61.02926	0.7
67.05472	0.1
68.99794	0.6
69.03434	5.8
69.69379	0.8
70.06597	0.3
71.05013	0.6
72.08180	0.2
73.02931	0.7
81.03425	5.5
85.02912	4.9
87.00842	3.0
87.01343	0.2
87.04475	0.2
91.03993	0.3
93.03437	0.1
93.07053	0.3
95.04963	0.2
97.02902	5.5
98.21467	0.3
99.04462	1.5
105.01863	1.2
107.04979	0.1
109.02883	3.0
109.03571	0.2
110.07210	0.1
112.44500	0.1
117.01884	0.5
119.03844	0.1
119.04965	0.2
121.02886	0.3
127.03933	4.3
129.01904	0.2
130.08655	0.3
134.03667	0.2
135.04485	0.2
137.06036	0.4
145.04974	1.0
146.03680	0.2
147.03020	0.2
147.04416	0.4
147.11751	0.2
151.03886	1.1
156.04161	0.1
156.29317	0.1
159.02904	1.9
160.07634	0.2
163.03992	0.2
164.04715	0.3
168.00612	0.4
169.01407	0.6
169.05019	0.2
177.05490	0.2
183.02907	4.0
186.01546	0.2
195.02975	0.3
198.36890	0.1
203.03644	0.2
213.03920	0.2
215.03496	0.2
216.04103	0.2
217.04974	0.1
231.04950	1.9
232.87190	0.1
233.04517	0.5
241.04866	0.2
243.02969	0.2
244.03688	0.7
245.04529	0.6
258.05267	0.6
259.06131	0.6
261.03922	1.4
272.03149	1.5
273.03934	1.5
275.05630	0.3
276.06332	0.4
286.04794	0.3
287.05536	4.6
289.03473	2.4
300.02695	1.8
301.00021	0.3
301.03461	6.9
303.05069	0.9
304.05737	0.8
314.04346	0.5
315.04996	2.8
317.02893	1.0
331.04617	0.9
332.05286	22.0
345.06030	0.1
346.06540	0.2
347.07626	100.0
348.08020	1.0
433.14520	0.1
541.36456	0.2
595.15991	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03978	0.3
55.01897	0.2
56.08754	0.1
57.03477	0.3
61.02956	0.1
65.04008	0.1
67.05530	0.2
68.99815	0.3
69.03434	1.6
69.24876	0.3
69.25272	1.0
70.06649	0.4
71.05017	0.2
72.08183	0.2
73.02934	0.2
79.05547	0.2
81.03429	1.8
81.07102	0.2
82.30109	0.1
83.16267	0.1
85.02917	2.7
85.06590	0.1
87.00834	1.1
91.05513	0.3
93.03431	0.3
93.07071	0.2
95.05036	0.2
95.08643	0.2
97.02905	1.3
99.04495	0.5
105.01925	0.6
105.07075	0.3
107.05009	0.2
109.02885	1.3
111.04533	0.2
115.05515	0.1
117.01897	0.2
117.07109	0.2
119.04977	0.3
121.02889	0.6
121.05645	0.1
121.06546	0.1
123.04476	0.2
127.03922	2.4
129.01949	0.2
133.06586	0.1
133.10136	0.1
135.04468	0.2
136.01556	0.1
137.02370	0.2
137.06049	0.4
145.04991	0.6
145.06546	0.1
146.03679	0.3
147.03050	0.2
147.04477	0.6
149.02449	0.2
149.09616	0.2
151.03949	1.6
151.05052	0.2
153.05547	0.4
156.04279	0.2
157.06544	0.2
159.02925	0.6
159.08102	0.1
160.07697	0.2
163.04004	0.3
163.61958	0.2
164.04765	0.2
167.03514	0.2
167.07071	0.4
168.00620	0.5
169.01347	0.7
171.04454	0.2
173.02396	0.2
175.03946	0.3
175.07562	0.2
177.05580	0.2
181.05022	0.3
182.02187	0.2
183.02910	5.2
183.04507	0.3
185.06030	0.3
186.01630	0.2
187.07587	0.1
188.40930	0.1
191.03505	0.3
195.02965	0.2
203.03375	0.2
207.06544	0.2
213.05562	0.3
216.04312	0.2
229.08830	0.2
231.04836	0.2
231.06763	0.2
233.04517	0.4
244.03662	1.0
245.04532	0.6
248.06712	0.2
258.05264	0.6
259.06122	0.6
261.03946	1.6
264.84311	0.1
272.03204	1.9
273.03958	2.0
275.05640	0.3
276.06375	0.4
285.04059	0.2
286.04761	0.4
287.05530	10.7
289.03464	2.8
300.02704	1.5
301.03470	7.0
303.05029	1.0
304.05811	1.1
307.09628	0.2
314.04190	0.6
315.05014	3.2
316.05722	0.2
317.02982	1.3
317.06564	0.2
331.04465	1.0
332.05298	23.9
339.12442	0.6
345.06012	0.9
347.07635	100.0
348.07962	1.1
351.12546	0.2
389.08432	0.3
440.44440	0.1
541.36267	0.1
595.12885	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	594.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01869	4.7
55.05521	15.5
56.41414	1.2
57.03455	10.2
65.03939	1.4
65.67888	1.2
67.05510	21.1
69.03445	2.8
69.07065	5.5
69.24251	11.3
69.24657	3.5
71.05000	4.7
79.05510	23.2
81.03429	56.4
81.07063	20.3
83.04981	4.4
83.08631	17.4
85.06544	2.2
91.05486	19.1
93.07050	18.5
95.04984	20.6
95.08618	8.4
97.02905	1.9
97.06533	3.8
97.10180	15.3
101.09726	1.5
105.07043	12.5
107.04961	12.9
107.08603	10.5
109.06519	10.9
109.10200	7.2
111.04476	3.4
111.08086	6.7
115.05463	1.7
117.07036	7.7
119.08584	13.0
121.06527	9.4
121.10179	7.3
123.08093	4.8
125.09647	13.6
129.07011	7.9
131.08585	10.7
133.06506	4.4
133.10138	4.5
135.08086	5.2
135.11697	3.4
137.06042	1.4
139.11169	1.5
141.06999	2.0
142.07732	2.1
143.08582	2.6
145.06511	5.1
145.10136	5.7
147.08038	4.9
147.11725	7.8
149.09627	5.4
149.13193	1.4
153.09117	2.3
157.06467	1.4
157.10153	7.7
161.09581	1.9
163.11186	5.6
171.11728	1.5
173.13246	2.0
175.11160	7.7
177.12743	2.0
187.11201	1.9
189.11246	5.8
189.12837	2.3
191.14252	1.9
193.10530	2.4
193.12231	16.5
195.11700	2.1
197.13293	1.4
209.13388	1.5
215.14383	3.1
219.13792	3.7
223.13272	2.7
227.12759	3.7
233.15402	3.5
244.50166	1.4
255.13800	2.5
267.15918	44.2
273.14880	5.4
275.16278	1.6
301.16367	1.4
339.23199	2.2
349.21671	4.0
357.24164	1.5
367.22812	20.6
385.23776	24.6
403.24783	10.6
408.83301	1.5
441.26498	9.1
459.27469	100.0
460.28000	2.0
477.28543	83.8
491.30099	11.5
509.31125	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	594.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03160	0.5
53.03940	1.3
55.01860	1.2
57.03427	0.4
65.03942	1.8
67.05496	2.5
70.94258	0.4
70.94598	1.1
72.08166	5.2
79.05495	1.0
81.03429	1.0
81.07047	1.4
81.64893	0.4
91.05468	0.9
95.04980	2.5
95.58887	0.4
105.04482	0.6
105.06995	0.5
107.04992	0.5
108.02103	3.6
119.04961	0.9
135.04471	1.2
135.05777	0.5
137.05980	0.5
141.05493	2.3
143.08524	0.6
145.06506	0.6
151.03923	100.0
151.05032	10.4
152.04214	0.7
173.05948	0.5
180.31526	0.5
181.10167	0.9
195.07982	0.5
205.04892	0.5
209.09608	1.3
211.03903	0.9
213.05486	1.5
217.10324	0.6
229.04932	0.8
231.08356	0.5
235.11220	0.6
239.03351	0.6
241.05006	1.0
247.07756	0.4
251.06973	0.6
259.06033	0.5
263.10745	1.2
267.02921	0.8
281.11780	0.7
285.04105	0.6
287.05573	1.4
291.10211	1.2
308.21783	0.5
309.11151	1.3
319.09811	0.5
335.09079	2.4
348.06454	0.7
363.08676	1.5
376.05667	0.8
380.18695	2.3
391.08170	6.7
394.16638	0.9
408.18109	3.0
426.19077	2.9
459.14569	0.9
469.12988	0.5
487.14069	2.6
514.74689	0.5
554.41229	0.5
558.21246	17.0
576.22302	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	594.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.8
55.05514	4.2
64.53410	3.1
67.05496	10.2
69.03436	8.7
69.07071	4.7
70.06586	11.7
70.11807	9.2
70.12218	6.7
72.08154	9.2
79.05484	12.5
81.03436	17.6
81.07056	12.6
85.02909	10.8
91.05472	12.7
93.07040	9.9
95.04939	6.2
95.08617	7.8
97.02905	5.8
98.20811	5.7
100.11282	5.4
105.07030	11.5
107.08582	9.2
109.02886	8.6
115.05486	4.8
119.08566	5.9
121.10149	4.5
123.11722	5.8
127.03917	6.9
129.07010	7.9
131.08572	8.2
133.10071	4.1
135.04416	26.7
136.43553	4.1
145.06461	6.9
147.04413	7.5
147.11752	4.3
151.03922	49.4
151.07553	82.7
157.06471	6.9
158.07199	6.0
159.04369	4.2
161.06018	5.3
161.09619	7.4
165.05504	31.9
167.07053	5.0
173.06035	4.0
174.06808	5.9
188.08276	5.4
189.05516	7.4
189.09126	51.5
201.05534	7.5
201.09142	97.1
202.09877	17.6
203.10661	10.8
207.10214	4.6
217.08603	10.3
219.06682	5.8
219.10220	33.6
231.06493	8.4
231.10239	22.4
231.12180	4.4
249.07678	9.0
249.11224	22.7
277.08517	4.2
278.09409	5.3
282.19424	3.7
287.05499	13.1
290.09375	4.4
298.08359	5.5
301.42111	3.9
304.07684	4.1
305.08163	4.5
309.10880	4.1
309.69077	3.8
315.04977	4.5
316.05746	5.3
317.06293	8.8
320.10489	9.1
321.11160	6.9
324.09879	4.9
330.07175	4.5
331.08057	14.6
332.08429	22.1
339.12311	22.9
345.09650	5.1
346.10196	6.0
347.07635	8.2
351.12320	30.4
369.13367	100.0
371.09500	4.0
387.14432	32.9
594.20990	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	5.2
57.03440	1.5
57.07070	3.7
67.05512	5.5
69.07068	3.9
69.20338	7.3
69.20747	2.0
71.08646	3.0
73.10965	0.9
74.60696	1.1
79.05501	2.1
81.07055	5.0
83.08608	2.6
87.86150	1.1
93.07073	1.5
95.08599	3.5
96.08950	1.1
97.10143	1.9
97.65617	1.2
107.08621	1.6
109.10130	2.1
115.34764	1.2
121.10168	1.1
125.09640	1.1
145.10193	1.3
229.14413	2.0
233.11420	1.3
283.15170	14.0
313.27121	2.3
314.27652	4.7
339.17603	5.5
356.00043	1.2
376.64743	1.1
431.18628	3.5
433.24146	2.8
434.25156	1.1
445.20200	4.1
446.20996	1.7
447.21683	3.1
460.22281	5.5
461.23242	2.4
475.16208	1.2
505.22223	1.5
533.25482	13.7
592.59436	1.3
593.27411	46.6
593.40076	100.0
594.27698	2.2
594.41290	1.5
604.66156	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	593.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.5
55.97242	0.5
57.03430	1.2
57.07063	2.2
60.14320	0.4
66.37067	0.5
67.05502	1.7
69.07069	3.1
70.76656	1.0
70.76971	0.6
71.08617	1.5
79.05502	0.6
81.03410	0.5
81.07047	1.8
83.08620	2.8
91.05485	0.7
93.07030	0.8
95.08601	1.4
97.10147	1.5
107.08561	0.7
109.10165	1.1
121.10156	0.6
125.09602	0.7
135.11641	0.8
163.14771	0.5
230.14655	0.5
233.11476	0.8
258.10214	0.6
283.15146	10.4
301.06845	0.5
311.25781	0.7
313.27341	1.2
314.27725	2.4
339.17725	3.4
373.89371	0.6
389.17581	1.2
402.18628	0.9
403.19128	2.5
404.19891	1.2
405.20758	1.5
417.16898	1.9
417.20950	1.9
418.21710	0.9
419.22427	4.3
431.18417	7.7
432.19308	2.2
433.24509	4.7
434.24673	1.2
445.19931	7.5
446.20865	4.8
447.21634	4.7
459.21652	3.0
460.22525	8.1
461.23422	5.4
463.21649	0.6
473.23334	1.7
477.21786	0.8
487.25345	0.8
489.26828	0.6
490.19696	0.7
491.20499	0.6
492.25363	0.8
505.21994	4.4
516.23895	0.5
519.23700	1.0
533.25519	30.3
534.25769	0.7
561.24860	0.9
565.28503	0.6
593.27362	95.8
593.40002	100.0
594.27856	2.8
594.40247	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2758
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
58.48149	0.3
69.71220	1.4
95.39019	0.3
106.86483	0.4
107.70760	0.3
127.69707	0.3
132.20285	0.3
152.08138	0.3
194.88908	0.4
256.46674	0.3
377.16757	0.3
387.16284	0.4
388.16830	0.5
389.17786	0.8
390.18951	0.3
391.19235	0.4
398.16971	0.4
402.18182	0.5
403.19220	2.0
403.65308	0.3
404.20065	1.2
405.20776	1.9
415.19308	0.5
416.20306	0.7
417.16354	1.0
417.21457	3.0
418.22107	1.6
419.22427	3.4
430.17334	0.6
431.18289	8.0
432.18488	1.6
432.24261	0.6
433.24164	6.3
434.24826	0.8
445.19968	9.9
446.20602	4.1
447.21707	4.4
459.21591	3.8
460.22586	11.1
461.23297	8.8
462.24380	0.5
473.23837	1.9
474.23737	0.6
476.26123	0.8
477.22610	0.8
487.25119	0.5
489.26913	0.5
491.24612	1.1
492.25311	1.1
505.21896	5.9
515.24323	0.4
518.23236	0.8
519.24213	0.5
533.25549	29.5
534.26147	1.0
547.27649	0.4
564.23602	0.8
565.28027	0.5
593.27625	100.0
594.28204	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43451	3.3
51.02369	3.4
51.98556	3.0
53.03952	17.6
55.01879	11.9
55.05519	19.9
56.05033	7.1
57.03418	4.3
58.06606	4.6
60.65388	2.8
61.88340	2.6
67.05511	28.6
69.03428	8.7
70.06599	9.6
71.04997	3.5
71.07387	24.4
71.53091	3.4
72.08163	93.6
79.05505	54.8
81.03433	20.3
81.07071	39.0
82.04194	4.2
83.04990	36.2
85.02925	7.7
85.19476	3.2
87.00833	3.5
87.12592	3.3
91.05490	72.2
93.07050	25.8
95.04981	44.8
95.07333	3.4
95.08623	12.5
96.04527	5.6
97.02899	3.9
97.06536	7.6
98.06064	12.7
103.05489	8.6
105.07040	100.0
106.72515	3.1
107.04947	18.2
107.08611	13.2
109.02936	4.0
109.06528	7.4
110.06104	3.5
111.04453	6.5
113.08401	4.6
115.05459	15.4
117.07038	53.1
119.04971	7.2
119.08607	26.4
121.06506	34.5
121.10129	11.6
123.04438	8.1
124.07584	7.1
127.03947	5.6
128.06218	16.5
129.07047	17.0
130.07831	6.2
131.04962	4.4
131.08580	38.2
133.06512	33.4
133.10146	7.7
135.04358	6.3
135.08113	8.9
135.11656	6.0
137.05965	6.5
138.09174	3.5
139.07516	5.9
139.09952	31.1
143.08626	15.2
145.06561	18.4
145.10150	41.8
147.04420	9.3
147.08064	12.9
147.11682	15.4
149.06070	3.9
149.09631	13.3
150.09138	3.5
151.03911	8.4
151.07574	5.0
152.10727	9.4
153.07016	3.8
155.06071	4.8
155.08597	5.9
157.10988	12.1
158.07376	3.8
159.08040	4.7
161.09622	13.0
163.07623	5.7
164.10664	4.2
167.07066	99.3
171.08061	6.3
173.05966	7.4
173.09657	22.2
175.03967	8.6
177.05489	10.8
178.12357	3.4
180.10196	3.8
181.08577	8.5
182.11787	10.3
188.08350	13.4
189.09103	11.3
191.10622	6.8
195.06555	13.6
199.12082	4.8
204.07922	3.8
204.13934	4.5
205.08810	4.3
207.06540	17.4
218.15538	5.8
219.10155	9.9
234.14848	25.6
244.16988	40.3
260.16473	11.9
262.18051	75.5
278.17590	9.1
280.19080	10.0
332.04758	7.9
333.05353	6.6
345.05969	3.9
345.09653	17.9
401.16095	17.3
431.12283	6.3
431.17365	7.3
539.35345	7.3
557.35608	7.9
593.22290	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75379	0.3
67.33891	0.3
69.44265	0.2
70.77314	0.8
81.01431	0.3
86.64406	0.3
108.58275	0.3
111.54700	0.3
138.39693	0.2
149.01482	0.3
235.44383	0.3
312.15063	0.3
387.16028	0.5
388.16846	0.3
389.17651	0.7
390.18591	0.4
401.18301	0.5
402.18790	0.9
403.19324	2.7
404.19998	1.2
405.20654	1.5
415.19327	0.4
416.15536	0.4
416.20474	0.7
417.21429	3.9
418.21741	2.2
419.22357	3.3
421.23990	0.3
429.20905	0.4
430.17938	1.0
431.18222	8.6
432.18652	1.6
433.24130	7.9
434.24658	0.9
444.19150	0.4
445.19952	10.7
446.20770	3.7
447.21667	3.9
459.21609	3.9
460.22601	11.8
461.23373	11.1
462.24814	0.4
463.21460	0.3
473.23709	2.5
474.24188	0.9
475.21408	0.4
476.26205	1.4
477.22137	0.5
477.27252	0.5
487.25024	1.1
491.24658	0.8
492.25336	1.5
505.21991	4.2
515.24866	0.5
518.23230	0.4
519.24329	0.8
533.25543	44.9
534.26233	0.7
547.27191	0.4
561.24841	0.4
564.23492	0.6
565.28180	1.0
575.26605	0.5
593.27631	100.0
594.28003	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79052	0.4
55.87927	0.4
58.45930	0.4
71.52238	0.7
77.63695	0.4
85.02930	0.4
88.57142	0.4
91.05447	1.1
106.49654	0.4
115.05457	0.8
117.07030	0.8
118.06554	19.5
123.04430	0.5
127.03905	1.1
130.06535	1.7
132.08102	5.2
135.04391	0.4
137.06041	0.4
139.03946	0.6
141.05472	9.9
142.06541	2.3
143.07294	3.0
144.08098	13.0
146.06021	60.7
147.06319	0.8
159.09175	6.2
160.07544	1.2
163.03911	1.8
170.06001	4.7
180.14664	0.4
188.07082	100.0
189.07372	1.5
191.08162	0.4
205.09744	43.8
313.94733	0.4
404.20798	0.4
593.24847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.4
55.05518	28.8
55.35221	2.4
56.44944	2.1
57.03442	13.7
57.06831	2.8
57.07082	34.8
57.48142	2.8
59.05009	4.4
63.40995	2.1
67.05179	4.0
67.05510	54.7
69.03442	3.4
69.07071	10.6
69.64462	7.8
69.64861	4.2
71.08636	26.2
79.05507	14.0
81.07069	32.0
83.08635	15.7
85.02918	12.5
85.10174	14.4
87.04460	7.7
89.06008	3.5
91.05490	5.8
93.07046	9.3
93.58875	2.3
95.08608	25.3
97.10178	18.5
98.21585	3.8
105.07040	3.7
107.08605	10.7
109.10175	38.7
111.08105	4.5
119.08612	3.5
121.10098	3.3
122.26284	2.2
123.11666	2.9
125.09628	19.5
135.11682	2.9
137.09592	2.8
143.10588	5.8
155.10770	3.7
167.90706	2.3
173.11729	10.7
199.13277	11.0
227.12854	5.6
229.14397	38.6
239.23740	4.8
257.24716	3.5
301.16586	13.0
311.17938	2.4
313.27377	100.0
314.27451	2.7
412.36581	8.9
431.18393	3.5
437.36270	4.7
455.37186	7.6
460.22543	3.1
461.23175	6.8
467.37433	20.1
510.07330	2.4
533.25702	14.0
539.39227	6.5
592.26984	3.5
593.27612	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	593.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
51.76624	0.2
53.03960	1.1
55.01878	1.0
55.05503	0.5
57.03435	0.7
61.02932	0.3
67.05492	0.7
68.99783	0.5
69.03089	0.3
69.03436	4.7
69.07068	0.3
69.75135	1.0
70.06597	0.3
71.04987	0.6
71.07372	0.3
72.08163	1.3
73.02904	0.8
79.05508	1.3
81.03429	5.5
81.07050	0.7
83.04964	0.4
84.08140	0.2
85.02911	6.2
87.00839	3.1
91.03997	0.2
91.05447	1.3
93.07031	0.6
95.04985	1.0
95.08605	0.4
97.02906	2.3
97.06551	0.2
99.04478	1.6
105.01886	1.7
105.07044	1.7
107.04953	0.6
107.08602	0.3
109.02894	4.1
117.01855	0.5
117.06993	0.7
119.04913	0.2
119.08553	0.5
120.05672	0.3
121.06510	2.6
121.10207	0.2
123.04426	0.3
127.03926	5.4
128.06178	0.2
129.01842	0.5
129.07057	0.3
131.08569	0.6
133.06493	0.7
133.10117	0.3
135.04420	0.8
135.08063	0.2
139.03822	0.2
139.09933	0.6
143.08549	0.4
145.04973	1.9
145.06503	0.6
145.10051	0.5
147.02885	0.5
147.04367	0.4
147.07988	0.3
148.05222	2.0
149.09607	0.3
150.06757	0.3
152.04695	0.5
153.01805	0.2
159.02904	2.7
161.09641	0.3
173.09692	0.3
181.01324	1.8
189.09000	0.3
203.07010	0.2
207.06500	0.7
231.04973	0.9
234.14914	0.2
244.17017	0.5
262.17990	1.4
269.04407	0.5
272.06650	0.2
273.07504	0.2
278.17722	0.3
284.06848	0.7
286.04810	0.4
287.05447	1.1
297.03891	0.3
299.05688	0.6
301.03525	0.3
301.07092	10.9
311.05453	0.9
312.06351	1.2
313.07080	2.6
315.04904	1.1
316.05838	1.6
329.06570	11.3
330.07358	12.0
345.09714	100.0
346.09995	1.0
497.61517	0.2
507.22348	0.2
521.62616	0.2
549.23389	0.4
593.22333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	43.0
56.82522	3.7
57.03433	10.0
57.07078	37.6
58.94811	3.5
60.02064	3.8
61.98804	3.7
67.05510	56.6
69.07071	16.3
71.04986	4.4
71.08636	23.9
79.05481	18.2
81.07055	31.9
83.04958	5.5
83.08634	18.6
85.02899	14.5
85.10201	13.0
87.04478	4.6
93.07039	8.4
95.08624	27.7
97.10172	30.0
107.08595	13.0
109.10167	33.2
112.63055	3.8
116.49628	3.7
119.08586	5.5
123.11676	4.4
125.09647	26.2
143.10667	5.5
144.38138	4.2
155.10634	5.5
173.11751	8.5
199.13341	12.2
227.12860	6.6
229.14339	32.2
239.23727	5.5
266.49521	3.8
301.16415	17.3
313.23770	3.4
313.27368	100.0
336.74576	3.9
410.80435	3.8
415.37686	4.1
437.36252	9.0
441.76398	3.8
455.37250	13.2
459.67770	3.5
467.37225	15.2
539.39056	10.1
593.27252	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	592.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25663	2.0
54.15076	2.0
55.01859	1.9
55.05514	28.5
57.03448	12.1
57.07084	43.8
58.81750	1.9
59.05020	2.5
67.05177	3.7
67.05515	53.0
69.07077	14.7
69.37090	4.6
69.37498	13.2
71.08640	26.5
76.14923	2.7
79.05498	16.9
81.03448	2.8
81.07067	27.9
83.05009	3.9
83.08643	15.9
85.02930	11.8
85.06541	3.4
85.10194	14.2
87.04462	7.9
89.06064	2.7
91.05472	4.3
93.07059	5.8
95.08610	25.9
97.06507	2.4
97.10184	23.4
99.08141	2.4
103.03954	2.2
105.07030	3.6
107.08590	12.7
109.10170	46.4
114.20803	2.3
121.10166	4.1
123.11677	3.2
125.09639	22.0
131.41731	2.5
135.11737	3.4
143.10677	5.9
155.10683	3.4
163.11188	2.5
173.11787	9.4
199.13318	16.0
227.12762	3.3
229.14359	41.3
239.23647	5.5
257.13992	2.8
301.16458	11.8
313.27399	100.0
314.27829	3.0
431.18536	4.6
433.24036	2.9
437.36505	4.7
445.20175	5.6
455.37411	13.7
459.22061	3.7
460.22565	4.7
461.23334	5.1
467.37491	18.4
533.25470	13.9
539.39435	3.8
592.26978	4.6
593.27850	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.05519	15.9
57.03445	8.3
57.07084	37.5
58.53721	1.3
62.20463	1.3
62.85872	1.3
65.03951	3.1
65.27930	1.3
67.05510	60.4
67.11481	1.2
69.07071	14.4
71.02027	2.3
71.04985	1.5
71.08637	24.5
76.91155	1.1
79.05503	33.5
81.07065	62.9
83.04983	1.5
83.08617	12.6
84.36430	1.2
85.06509	2.3
85.10194	13.4
91.05484	17.9
93.07052	42.5
95.04973	1.3
95.08615	59.3
97.06537	3.1
97.10180	5.5
99.08075	1.5
105.07045	12.9
107.08607	23.9
109.06502	1.5
109.10166	26.1
117.06999	5.3
119.08612	12.0
121.10159	19.3
123.11727	10.9
131.08572	15.3
133.10165	11.7
135.11702	14.8
137.13264	5.0
145.10173	8.3
147.11693	7.3
149.13312	10.8
151.14801	1.8
159.11696	8.6
161.13309	6.3
163.14801	6.4
173.13275	11.4
175.14891	1.6
177.16367	2.7
177.53940	1.2
187.14871	5.0
201.16324	1.5
223.16800	1.2
233.22737	2.6
239.23665	3.5
243.21176	14.9
257.24786	2.0
261.22156	56.7
277.21777	1.4
279.23126	2.3
303.49924	1.4
313.27386	100.0
317.24777	13.2
335.25824	69.3
573.48895	23.8
591.49677	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	592.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60098	0.2
53.03946	1.1
54.22350	0.2
55.01872	0.5
61.30661	0.3
65.03936	2.2
67.00426	0.2
67.05511	2.2
70.71896	0.2
71.01342	0.3
71.26170	0.4
72.08170	2.4
77.03933	0.4
79.05500	1.0
81.03428	0.6
81.07043	0.4
85.02882	0.3
91.05491	0.3
93.03420	0.3
95.04980	1.1
105.04524	0.5
105.05655	0.2
105.07030	0.4
107.04887	0.3
108.02119	2.4
111.04423	0.6
119.04952	0.8
121.04008	0.3
136.01521	0.4
141.05490	1.7
143.08565	0.7
151.03923	100.0
151.05031	9.9
155.08595	0.5
157.06537	0.3
159.04485	0.4
159.08089	0.3
165.07034	0.4
166.07813	0.6
179.08568	0.4
180.73134	0.2
181.10092	1.3
183.11681	0.3
190.07887	0.3
199.11171	0.6
209.09669	1.2
227.03491	0.4
227.10757	0.4
237.09142	0.6
277.08698	0.3
307.09396	0.3
363.08804	0.2
392.35272	0.3
394.16675	1.7
395.17343	0.4
475.13788	0.6
518.21716	1.1
546.21320	13.0
574.20770	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2607
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
51.24551	0.4
53.73912	0.4
55.05511	0.9
57.07078	0.7
57.31390	0.4
62.71344	0.4
67.05507	1.0
69.07071	0.7
71.08654	0.7
79.05494	0.9
81.07079	1.2
83.08643	0.6
91.05450	0.5
93.07085	0.6
93.96754	0.5
95.08630	1.0
107.08620	0.6
126.33463	0.5
165.57568	0.5
189.04881	0.5
210.89862	0.5
261.22211	0.6
313.27472	1.7
335.25909	1.2
401.17874	0.7
415.19128	3.3
416.20041	1.7
417.87091	0.6
428.20062	0.8
429.20889	6.4
430.21536	4.0
431.22339	1.9
443.22507	2.1
444.23712	7.3
445.24423	4.2
448.26425	1.0
457.19901	0.7
458.20862	1.1
459.20993	1.9
459.25705	3.6
471.22110	0.7
472.22339	3.2
473.23459	4.9
474.24329	2.3
476.22534	0.6
485.23163	1.6
486.23959	0.7
487.25037	20.2
489.22928	1.3
490.23511	0.6
501.22534	0.7
503.24179	2.1
515.24219	0.9
517.22247	0.8
518.23315	0.7
531.23999	15.1
532.24664	5.0
533.01227	0.6
576.23981	0.7
591.26068	100.0
592.26501	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
54.70339	0.4
55.01867	2.1
55.05518	3.5
57.07077	0.6
64.87872	0.4
65.03938	2.4
67.05520	3.9
68.99786	0.6
69.03448	0.6
69.07097	0.6
69.16830	5.4
71.01361	0.5
71.08640	1.0
79.05495	2.0
81.03429	5.3
81.07061	2.2
83.04490	1.1
83.04992	21.8
85.10194	0.7
86.22626	0.5
87.00219	0.5
89.06023	0.7
91.05495	2.4
91.92670	0.5
93.07049	2.3
95.01350	0.7
95.04983	4.5
95.08603	1.1
103.05502	1.0
105.03397	0.7
105.07052	2.0
107.04960	1.4
107.08600	0.6
108.02101	2.9
109.02893	8.6
109.10150	1.4
111.04457	0.9
113.06036	3.3
115.05472	3.2
117.07038	4.0
119.04981	1.5
119.08630	0.6
121.06528	0.8
121.10146	0.7
122.03658	0.7
123.04434	7.9
129.07014	2.3
131.04938	2.3
133.02861	0.6
133.06497	2.5
135.04442	2.1
136.01636	0.6
137.02359	2.1
137.05995	11.3
139.03897	3.2
141.05505	1.7
143.04959	3.9
145.06514	3.8
145.10139	0.7
147.04454	3.0
147.08081	0.8
149.05966	0.6
151.03926	100.0
151.05019	7.2
155.06064	1.0
157.06526	1.5
159.04449	2.0
161.05991	3.9
162.03142	0.7
163.03912	1.1
163.07574	0.8
165.01871	1.9
165.05511	1.9
167.03442	5.1
171.04431	1.2
173.05983	4.3
175.03961	2.2
175.07539	4.7
177.05522	1.4
185.05997	1.0
187.03918	1.1
187.07594	1.7
189.05502	4.9
189.09158	0.6
190.06274	2.5
190.07762	0.7
191.07074	2.2
195.06519	0.6
199.03838	0.6
201.05539	4.6
203.07022	3.0
205.08594	3.5
209.09694	0.6
213.05536	0.9
217.04951	0.6
219.06451	4.1
219.08307	0.7
231.06512	2.9
233.08195	1.5
241.05141	0.7
247.07680	1.7
249.07477	4.6
250.08452	0.6
250.57373	0.6
261.22162	1.2
263.07098	0.7
265.08679	0.7
269.08203	1.2
275.07028	0.7
277.08722	1.5
278.06116	0.5
283.09659	0.7
283.89212	0.5
295.09622	1.4
305.08209	0.7
307.09576	2.5
309.07880	1.0
311.09201	1.1
313.27466	2.2
323.09039	3.0
325.10754	1.5
335.26004	1.1
341.10382	2.1
342.11182	1.0
365.13959	1.1
415.11765	0.7
433.12839	0.7
461.12469	1.7
485.16235	0.7
513.15515	1.1
525.15509	0.9
543.16553	2.6
547.73871	0.5
554.69440	0.7
561.17542	2.5
573.17731	2.3
591.18689	46.3
592.19324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75980	1.2
53.03951	2.1
55.01856	2.0
55.05524	8.7
57.03445	16.2
57.07084	33.6
66.49437	1.3
67.05515	18.8
68.05836	1.2
69.07087	8.8
69.80070	7.0
70.06587	5.3
71.05012	1.6
71.08298	2.0
71.08646	27.6
79.05502	13.6
81.03432	53.4
81.07067	26.1
83.04995	5.1
83.08639	18.0
85.06504	1.5
85.10201	15.8
89.05990	2.0
91.05495	13.9
93.07071	10.6
95.04974	14.7
95.08624	22.1
96.08920	1.6
97.06551	2.2
97.10178	5.6
99.08091	2.5
105.07024	9.3
107.04988	3.7
107.08602	5.2
108.08956	1.4
109.06544	3.1
109.10180	10.0
111.04419	2.0
111.08074	4.6
116.07115	8.0
117.07071	1.6
118.54022	1.2
119.08577	8.3
121.06545	1.4
121.10152	4.9
122.10454	1.8
123.11687	2.9
129.07025	4.4
131.08588	4.2
133.06494	2.6
133.10121	2.7
135.08133	1.7
135.11719	3.1
137.13237	1.6
142.07780	2.5
145.10143	1.6
147.11717	4.9
149.09599	3.0
151.11241	1.5
157.10219	7.1
157.11319	1.2
159.11755	1.3
175.11218	5.0
178.22984	1.1
179.14371	7.8
180.14676	2.3
183.48361	1.2
193.12262	19.7
199.02356	1.5
201.55750	1.2
236.75912	1.4
239.23709	2.3
246.87885	1.3
249.14861	1.6
257.24713	2.9
267.15964	81.2
277.21631	4.6
278.21994	3.7
305.26093	1.3
313.27402	100.0
505.38971	71.9
590.40918	4.2
590.49036	11.9
605.84967	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48853	1.0
53.03945	4.5
55.01877	5.9
55.05507	5.3
57.07074	1.4
65.03940	5.1
67.05511	6.6
68.99795	3.3
69.03429	5.8
70.30122	3.3
71.04997	2.2
74.12141	0.9
79.05495	9.4
81.03422	23.3
81.07049	4.9
82.65206	1.0
83.04985	59.4
88.46393	1.0
91.05496	11.2
93.03401	1.2
93.07054	4.0
94.04202	2.4
95.04973	12.4
95.08584	1.1
97.02928	1.3
103.05473	6.8
105.03384	1.5
105.07037	9.9
107.04961	6.4
107.08625	1.1
108.02094	2.5
108.67404	1.0
109.02882	9.3
109.06518	4.0
111.00819	1.4
111.04459	14.8
113.06017	13.5
115.05466	9.6
117.07057	9.1
119.04946	6.4
119.08614	1.9
121.02886	1.7
121.06509	4.6
122.03685	6.2
123.04433	18.0
125.02334	1.3
125.06023	1.8
127.04002	1.5
128.06232	4.0
129.07018	10.9
131.04936	11.9
133.02866	1.7
133.06505	8.0
133.10114	1.1
135.04411	7.8
137.02367	6.1
137.05989	67.4
139.03908	5.1
141.05492	2.5
143.04895	6.0
144.05736	2.0
145.06487	13.6
147.04407	12.4
147.07932	1.2
149.05966	5.7
151.03918	100.0
151.04985	6.6
153.05508	6.0
155.03387	1.2
155.06046	1.6
157.06517	10.8
159.04457	6.6
160.05209	3.3
161.06018	12.0
163.03954	4.8
163.07556	3.5
165.01851	4.1
165.05511	7.3
165.06842	2.1
167.03413	13.7
169.06451	1.0
171.04475	2.8
172.05226	1.9
173.05991	16.8
174.06747	3.6
175.03987	5.2
175.07565	13.1
177.05484	5.3
179.07129	2.3
179.08537	1.3
181.08150	1.1
185.06009	3.7
187.03899	3.3
187.07535	14.8
188.04797	1.5
189.05498	13.6
189.07199	1.3
189.07504	1.6
189.09123	14.4
190.06258	3.0
191.03423	2.0
191.07066	4.2
191.08595	2.0
193.05013	4.7
197.05966	1.2
199.03960	1.7
201.05475	15.9
201.09221	2.1
202.07826	1.4
203.06949	5.3
203.08675	1.4
205.05019	2.6
205.08583	8.8
207.06525	2.2
211.07600	2.8
212.04703	1.3
213.05540	2.8
215.07034	1.6
217.04977	9.3
217.08647	4.5
218.05643	1.3
219.06412	11.3
219.08224	2.7
220.08894	1.5
225.05592	1.4
225.09140	2.0
226.06319	1.1
227.07115	4.5
229.04984	3.7
230.05737	2.2
231.06384	15.2
231.08534	1.8
232.08820	1.4
233.06099	1.3
233.08138	3.4
235.05731	1.6
235.07715	2.2
236.08578	1.2
237.09290	1.5
239.07082	2.8
240.07912	2.0
241.05020	2.0
241.08585	2.1
247.05995	5.6
247.07855	3.7
248.08583	2.2
249.07620	4.7
249.09576	1.8
251.07004	1.8
251.10867	1.5
253.08662	2.0
255.06541	10.3
256.07288	2.4
257.08157	2.5
259.07767	1.2
261.09100	2.9
262.06418	1.2
263.07144	5.1
263.10574	2.3
264.07971	2.6
265.06714	7.3
267.06476	1.6
268.07462	1.1
269.08142	3.6
275.07007	3.3
276.07794	2.1
277.08685	7.0
278.09415	1.2
279.07104	1.2
279.10010	5.2
281.08502	1.3
283.09650	1.7
289.08533	1.9
291.06897	1.8
291.10217	5.6
292.07529	1.3
292.10947	1.1
293.08145	4.1
295.09534	6.6
297.11313	2.3
305.08026	1.7
305.11627	1.1
307.09683	11.4
309.07950	2.0
309.11087	6.3
311.09140	1.4
313.27502	1.3
319.09735	2.7
321.11234	1.3
323.09152	3.1
325.10733	4.8
327.12418	3.6
331.09814	1.7
333.11337	1.4
337.10788	2.0
341.10242	2.9
343.11984	1.8
357.09918	4.2
377.10327	1.7
387.10727	5.1
407.11221	1.0
415.11758	1.6
419.11700	1.2
427.11594	1.5
437.12357	2.0
461.12177	2.0
467.14093	1.4
469.16696	1.2
471.14044	1.2
479.14526	1.6
483.14148	1.6
485.15994	2.3
495.14581	2.2
497.16153	3.5
507.14169	1.4
513.15515	4.7
515.16846	1.9
521.14441	3.2
525.15485	4.3
531.16553	2.4
543.16589	10.7
561.17499	8.9
573.17676	9.1
591.18622	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.2
55.05519	74.1
57.03440	18.9
57.07081	18.3
59.05006	4.0
67.05180	3.5
67.05515	52.3
69.03428	2.4
69.07074	44.5
69.21349	19.3
71.01363	2.0
71.08646	10.4
79.05500	20.1
80.05839	3.0
81.03414	3.3
81.07063	23.9
83.04998	5.0
83.08147	3.6
83.08627	50.5
85.02922	17.5
85.06535	2.5
85.10185	4.7
87.04497	10.9
90.11301	2.2
91.05482	7.2
93.07082	9.4
95.08633	12.8
97.06531	6.9
97.10181	49.5
103.03974	2.8
104.80608	2.0
107.08610	13.1
109.10165	43.7
111.08080	4.0
111.11718	6.5
119.08608	3.6
121.10122	4.1
125.09641	27.5
125.93152	1.9
135.11647	3.4
143.10675	7.6
153.12776	2.4
155.10614	2.6
163.11261	4.7
173.09512	2.0
173.11765	10.6
193.12311	2.1
199.13330	22.1
202.62268	1.8
227.12816	8.7
229.14383	53.1
237.22104	3.2
257.13846	2.0
267.15988	3.9
299.15012	5.0
301.16501	31.0
311.25848	100.0
313.27560	9.1
319.17569	2.4
339.25308	2.9
435.35110	2.3
453.35721	18.3
465.35858	20.3
486.99496	2.2
505.38916	2.8
537.37933	14.6
554.97711	2.1
555.38647	7.6
586.59399	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
55.01863	2.9
55.05517	55.2
57.03442	16.5
57.07084	13.4
58.67855	0.9
59.05003	3.8
65.03941	1.6
67.05512	58.3
69.03450	1.1
69.07076	39.9
69.20899	9.3
70.06599	1.5
71.01421	1.0
71.04999	3.7
71.08639	10.1
79.05501	18.1
81.03427	2.7
81.07068	22.3
83.04983	3.6
83.08630	39.9
83.09130	2.0
85.02921	11.3
85.06532	1.2
85.10191	4.6
87.04487	6.5
91.05476	4.7
93.07053	8.3
95.04986	1.5
95.08618	10.9
97.02879	1.9
97.06552	3.5
97.10184	40.1
103.03950	2.3
105.07062	1.1
107.08611	12.0
109.10170	45.0
111.08091	2.9
111.11753	6.7
116.07114	1.5
119.08587	3.8
121.10173	4.3
122.62785	0.9
125.09644	22.9
125.13293	1.0
132.86275	0.9
135.11710	3.4
137.09654	2.2
139.11195	1.1
143.10667	5.9
145.10139	1.6
149.13249	1.1
153.12764	1.4
155.10687	4.8
163.11191	2.8
173.11755	12.9
191.10736	1.1
199.13309	22.7
199.15010	1.6
209.11813	1.8
213.62550	1.0
217.14389	0.8
219.21062	1.3
227.12788	4.9
229.14383	56.0
237.22215	1.7
257.13779	1.4
265.14148	1.3
283.15302	2.5
301.16510	18.7
301.19672	1.6
311.25830	100.0
319.17621	1.3
339.25391	2.2
435.34818	4.2
453.35806	14.9
465.35825	26.8
537.37787	8.1
590.23694	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51061	0.4
59.58230	0.4
60.05655	16.6
60.08132	0.6
70.06599	42.7
71.04979	0.5
71.51244	0.6
72.08158	1.9
85.02905	0.5
97.07671	0.5
98.06033	0.6
99.06800	0.4
112.08073	0.3
112.08755	2.4
114.05505	0.4
115.08702	0.6
116.07105	16.5
119.04969	0.4
123.04437	0.8
123.45441	0.3
127.03914	0.4
127.15863	0.4
130.09773	6.0
146.06761	0.5
157.10878	1.6
158.09267	6.2
163.03900	0.9
174.08714	0.5
175.11919	100.0
224.12857	1.6
290.76242	0.4
404.64203	0.4
553.02887	0.4
613.84723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01861	3.4
55.05515	70.0
57.03441	17.2
57.07077	15.8
58.58004	0.9
59.04996	4.1
67.05508	64.6
69.03441	1.5
69.07072	47.0
69.35035	3.1
69.35461	4.3
70.06609	6.8
71.01350	1.2
71.04979	3.0
71.08638	8.3
73.02908	0.9
79.05500	20.4
81.03413	2.9
81.06593	1.7
81.07064	25.0
83.04998	5.2
83.08626	42.0
85.02911	12.7
85.06538	3.1
85.10183	2.6
87.04451	7.7
91.05486	5.8
93.07054	9.0
95.04909	1.0
95.08618	12.9
97.06543	4.1
97.10178	48.9
101.06025	1.1
103.03935	1.9
105.07048	2.0
107.04922	1.3
107.08603	13.4
109.10165	47.6
111.08078	2.7
111.11731	6.7
112.45720	0.9
114.09111	1.0
116.07092	12.9
117.07011	1.6
119.08570	4.3
121.06533	1.0
121.10121	3.8
123.11697	1.1
125.09633	25.9
125.13235	1.1
131.08536	1.0
133.10130	1.5
133.44922	1.1
134.50708	0.8
135.11699	4.1
137.09607	2.7
143.10643	6.2
145.10121	1.1
149.13248	1.8
153.12799	1.9
155.10709	6.1
161.59048	0.9
163.11177	3.7
164.92079	0.9
173.09743	0.8
173.10164	1.2
173.11743	16.0
181.12247	1.4
188.72404	1.0
199.13318	23.1
209.11676	2.3
219.21065	1.4
227.12857	4.2
229.14363	57.4
237.22144	2.6
257.13901	2.2
283.15329	1.6
301.16504	18.6
311.25821	100.0
312.26010	1.9
319.17343	1.1
352.40567	0.9
427.30389	1.6
435.34818	4.6
453.35828	15.4
465.35806	23.3
481.35229	1.2
537.38062	6.0
590.43561	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.0
55.05510	13.9
57.03426	9.6
57.06827	4.1
57.07081	41.4
67.05178	4.1
67.05508	42.7
69.07060	18.2
70.59719	2.1
71.08643	31.3
71.30624	6.5
79.05495	37.8
81.07056	40.8
83.08633	12.4
85.10200	16.0
91.05488	48.6
92.81219	2.3
93.06495	3.0
93.07054	43.6
95.04957	5.4
95.08614	40.6
97.10184	5.9
99.08086	4.4
103.05428	3.0
105.07042	48.5
107.08601	19.9
109.10165	19.7
117.07017	14.9
119.08584	40.9
121.10107	13.7
123.11739	4.1
128.06227	3.2
129.06973	7.7
131.08577	20.6
133.10143	35.3
133.57857	2.4
135.11720	14.5
143.08549	8.3
145.10114	19.4
145.52184	2.3
147.11710	43.1
149.13258	10.2
150.83043	2.4
157.10098	7.2
159.11722	12.8
161.13278	38.2
163.14799	2.9
171.11697	13.4
173.13231	10.9
175.14844	16.1
185.13243	13.1
195.06541	2.8
197.99944	2.4
198.70639	2.5
199.14847	2.7
231.21095	10.7
239.23654	4.3
241.19576	30.8
259.20584	93.5
270.78741	2.4
277.21518	2.8
313.27380	100.0
315.23148	6.2
333.24249	55.9
372.50375	2.5
470.77460	2.5
510.95670	2.4
547.28717	2.4
571.47144	11.5
589.48425	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	589.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.6
55.05510	19.5
57.03449	13.5
57.07081	45.3
67.05510	46.5
69.07076	21.0
71.08636	36.0
71.26210	2.7
75.25360	2.0
79.05502	32.8
79.71519	1.8
81.07062	52.7
83.05013	2.8
83.08627	17.1
85.06551	2.7
85.10204	16.9
86.08832	1.9
89.06018	2.4
91.05489	51.2
93.07052	47.5
94.36375	2.1
95.04983	4.7
95.08615	51.1
97.06531	3.4
97.10184	8.5
99.08099	3.7
101.06039	3.0
105.07040	61.4
107.08601	27.0
109.10163	16.9
111.08058	3.1
117.07029	16.1
119.08595	43.9
121.10143	20.7
123.11725	5.9
128.73273	2.1
129.07027	12.1
131.08594	16.3
133.10143	42.7
135.11690	19.3
143.08592	9.7
145.10158	15.1
147.11694	41.7
149.09717	2.9
149.13341	11.3
151.11208	3.6
157.10153	8.6
159.11732	19.0
161.13275	32.1
163.11227	2.8
163.14876	3.6
171.11688	9.5
173.13278	9.8
175.14880	10.8
179.14339	3.7
185.13306	7.0
187.14876	3.5
189.12694	2.7
199.14862	5.4
213.16360	4.4
217.19583	2.3
231.21152	11.0
239.23784	5.3
241.19536	39.3
243.21085	3.7
257.24759	2.5
259.20590	100.0
261.02194	2.1
277.21625	7.4
293.99823	2.1
311.25662	3.7
313.27383	98.3
314.12640	2.6
315.23178	5.1
333.24249	53.1
335.26010	2.7
351.25375	2.8
497.43698	2.4
571.47070	11.8
589.48560	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	589.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79353	0.3
56.05039	0.6
57.07074	0.4
58.06605	100.0
59.05011	0.5
59.06917	0.4
65.03947	0.4
69.03438	0.7
70.06600	1.2
71.48219	0.5
72.08165	0.6
81.03414	1.8
84.04480	0.4
84.08159	1.0
85.02901	0.9
86.09710	0.6
91.05506	1.2
95.04963	0.6
97.02907	0.8
99.04517	0.4
105.07062	0.5
106.02961	0.4
107.04946	0.4
109.02879	1.1
115.05499	0.8
119.04963	0.7
121.02879	13.5
123.04472	0.3
123.35591	0.3
124.03993	0.5
125.04262	0.4
127.03957	0.4
128.07123	1.2
130.06580	0.4
132.08134	1.0
133.06429	0.4
137.05992	1.9
139.03946	0.7
146.06013	1.5
147.04424	4.9
147.05522	0.4
151.03952	0.7
151.07530	0.4
160.07591	14.2
163.03996	0.9
164.81114	0.4
169.80321	0.3
172.07631	0.3
175.03914	0.6
184.07603	0.4
205.08733	0.6
205.13383	4.0
207.06613	0.5
223.09666	5.5
234.09218	0.5
249.08116	0.4
262.08591	2.5
262.18082	0.5
273.11334	0.8
274.11572	0.5
279.41034	0.3
280.09705	4.0
292.09586	0.4
346.14478	0.5
364.15405	4.1
367.13809	0.6
382.16492	4.4
385.15213	0.5
385.81113	0.3
403.96341	0.4
427.19162	0.3
526.20734	0.5
541.19617	0.4
544.22253	0.8
589.27643	65.8
590.27838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40713	0.5
53.03934	1.6
55.01862	0.9
57.03433	1.6
57.66112	0.6
59.05010	9.8
61.02917	1.1
62.23984	0.5
62.65508	0.5
65.32751	0.5
65.52618	0.5
69.03433	8.5
69.66811	0.6
70.06612	0.7
70.63044	0.8
70.63383	1.2
71.04978	1.1
73.02919	1.1
79.05502	1.3
81.03424	6.4
81.07069	1.5
82.06570	1.0
85.02912	14.1
87.04484	8.6
91.05497	3.5
94.04186	2.9
97.02908	13.4
97.06559	1.3
99.04464	1.9
100.35975	0.5
103.05454	1.5
103.26485	0.6
105.05517	4.2
105.07043	5.7
107.04957	1.2
109.02884	4.1
109.06531	1.2
115.05471	3.8
117.06980	0.9
119.04945	1.3
119.08589	2.4
121.06519	0.8
122.03661	6.9
127.03932	14.8
128.06201	1.6
128.07085	5.8
129.07062	1.9
131.04953	1.6
132.05719	1.8
133.06503	4.0
137.05989	100.0
143.04939	1.2
145.04980	10.4
145.06476	1.6
146.03671	0.7
147.04439	2.7
147.08063	2.2
149.06018	1.3
151.07570	1.3
152.20819	0.6
159.08090	2.4
160.05193	1.7
161.06006	14.5
163.06242	0.7
163.07565	1.8
167.07129	0.8
171.08090	1.4
172.05222	1.8
175.07558	28.5
179.07069	1.7
184.05164	0.7
185.05957	0.7
187.07578	8.7
189.07193	0.9
189.09059	0.9
190.07823	1.9
191.08614	6.2
199.07600	4.8
202.07722	3.0
203.08589	5.1
205.06511	0.8
208.08896	0.8
217.08623	1.4
218.07335	2.0
219.08055	10.0
220.08771	2.3
231.08340	10.3
232.08778	1.6
235.07613	0.9
235.11328	1.0
236.08417	2.0
242.96513	0.6
247.07628	4.6
248.08208	3.3
249.09140	1.3
251.10703	15.5
259.07727	4.2
260.08325	1.9
261.09210	1.3
263.10779	3.1
264.07977	1.4
265.08618	1.6
273.08868	0.6
275.07013	0.9
276.07864	1.8
277.08594	1.7
279.10187	10.7
280.10880	1.6
281.08105	0.7
291.10159	9.7
292.10898	2.4
293.08392	0.7
295.13278	0.9
296.10440	1.6
303.10248	0.7
308.10333	0.8
309.11188	0.6
311.12799	32.1
321.11029	0.8
323.12823	16.4
325.14658	0.6
333.11197	0.8
335.12842	1.5
341.13916	1.7
350.14490	2.0
351.14859	2.1
353.13794	1.3
355.11871	1.6
365.13870	0.7
397.12674	1.3
401.13904	1.1
419.15057	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
54.25801	0.8
55.01872	3.7
56.13106	0.8
57.03429	3.3
58.28931	0.8
61.02931	1.6
66.04678	0.9
68.99789	1.4
69.03432	14.9
69.07085	1.2
69.35161	5.4
70.06602	1.6
71.04983	1.4
73.02915	2.2
79.05509	1.9
81.03429	12.2
81.07037	1.8
84.08152	1.3
85.02917	20.0
85.33662	0.8
85.52209	1.0
87.00831	8.5
87.02367	0.9
87.04471	2.8
91.03970	1.0
91.05498	5.2
93.07070	1.0
94.04166	4.3
95.04996	1.3
97.02914	10.6
97.06525	1.2
98.20825	1.9
99.04467	4.4
103.05489	5.2
105.01861	4.2
105.03364	1.3
105.07055	4.5
107.04951	2.1
107.08568	1.4
109.02892	10.2
109.06528	2.5
115.03925	6.9
115.05486	4.3
116.07068	1.1
117.01857	1.4
119.08604	5.7
122.03693	7.5
127.03919	15.3
128.06252	2.9
129.07059	1.9
131.04965	9.2
132.05719	3.3
133.04990	3.8
133.06500	3.1
133.10130	0.9
137.05989	100.0
141.06949	1.4
143.04951	1.2
145.04945	5.3
145.86058	0.8
147.02878	1.0
147.08073	4.1
149.06104	1.2
151.03989	1.2
151.07590	1.6
157.06467	1.0
159.02908	5.2
159.08147	1.3
160.05244	3.3
161.05986	12.5
163.07571	15.6
169.06541	1.5
171.07999	1.2
175.07567	54.7
179.06953	1.0
184.05232	2.5
187.07495	4.8
189.09090	2.0
191.08597	2.5
199.07561	14.1
201.09189	1.8
202.07808	5.1
203.08572	9.0
204.33325	1.0
219.08112	3.7
220.08871	3.4
221.09743	1.2
229.06982	1.5
231.05144	1.2
231.05487	1.3
231.08078	12.1
232.08853	2.1
236.08443	1.3
247.07568	4.1
248.08315	5.4
249.08922	1.4
251.10643	5.7
253.08656	1.3
259.07596	7.3
260.08212	2.3
261.09207	1.5
263.10721	5.7
265.08969	3.8
265.12173	1.0
266.51819	0.9
273.09183	1.2
276.07852	3.9
277.08563	4.8
279.10181	3.7
291.10150	16.6
292.10928	4.1
293.08041	1.9
295.10223	1.1
295.13284	2.2
308.10376	2.4
311.12827	8.3
323.12799	33.9
325.14410	6.1
341.13870	1.9
355.11713	1.6
388.64383	1.1
432.30002	1.2
476.68182	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.5
53.03939	1.4
55.01866	1.4
57.03432	1.3
59.05612	0.4
61.02921	0.9
65.03927	0.7
66.04713	0.9
66.74396	0.4
68.99789	0.9
69.03082	0.6
69.03434	7.6
70.06566	0.8
71.01334	0.4
71.04986	0.9
71.52707	0.6
73.02909	1.2
74.12267	0.4
79.05492	1.8
81.02982	0.6
81.03421	7.1
81.07050	0.8
84.08120	0.5
85.02911	14.5
87.00835	5.3
91.05497	3.8
92.05311	0.4
94.04189	2.9
97.02901	5.2
99.04459	3.3
103.03945	0.4
103.05464	1.5
104.06272	0.5
105.01876	3.7
105.07040	5.1
105.76603	0.4
107.04982	1.1
109.02890	7.1
109.06528	1.7
112.83561	0.4
115.05452	3.7
116.07056	0.4
117.01875	0.7
117.07012	1.1
119.04918	0.7
119.08595	2.0
121.06496	0.6
122.03661	7.3
123.30792	0.4
127.03938	12.6
128.06226	1.9
129.01843	1.3
129.07021	1.9
131.04918	1.9
132.05679	2.2
133.06516	3.7
137.05986	100.0
141.07036	0.9
143.04926	0.5
144.05679	0.6
145.04984	4.3
145.06471	1.0
146.03642	0.9
147.02855	1.0
147.04424	1.3
147.08070	2.6
149.05968	1.8
151.03960	0.9
151.07573	0.6
155.04926	0.9
156.05659	0.6
157.06483	0.8
159.02902	3.7
159.08076	2.6
160.05254	1.8
161.05989	15.8
163.07573	1.0
167.07088	0.5
169.06444	0.5
171.08090	0.6
172.05191	0.9
175.07556	29.6
179.07047	2.0
184.05211	1.2
187.07559	10.3
189.03975	0.6
189.05469	0.9
189.07010	0.6
189.09116	0.6
190.07826	2.5
191.06985	0.8
191.08574	7.9
199.07538	6.6
201.09036	0.5
202.07776	3.1
203.06952	0.7
203.08589	5.3
205.06561	0.7
206.07382	0.5
207.08096	0.8
208.08830	1.1
213.76761	0.4
215.08572	1.1
217.06653	0.7
217.08588	1.7
218.07314	1.9
219.08075	11.8
220.08806	2.8
221.09622	0.6
229.08731	1.1
230.07278	0.6
231.05025	1.9
231.08066	7.5
232.08908	1.7
233.09779	0.4
235.07605	0.8
236.08340	2.8
237.09131	0.7
241.08620	0.5
243.08096	0.5
246.06824	0.5
247.07590	5.0
248.08376	3.8
249.09088	1.1
251.10683	15.0
253.08626	0.5
259.07556	4.6
260.08408	2.4
261.09143	1.4
263.07153	0.4
263.07935	0.4
263.10696	3.6
264.07846	0.6
265.08716	2.1
275.07147	0.5
276.07800	2.7
277.08682	2.9
279.10202	11.4
280.10968	1.5
281.08142	1.4
291.10190	11.6
291.13474	0.7
292.10892	1.5
293.08054	1.4
293.11349	0.6
295.09811	0.6
295.13080	0.7
296.10492	1.0
297.11160	0.5
303.10159	1.1
308.10458	1.7
309.11252	0.9
311.12790	37.0
321.11362	1.9
323.12790	22.8
333.11319	0.6
335.12637	2.0
337.14267	0.4
341.14236	1.8
347.12848	0.5
353.13855	1.8
355.12085	0.5
365.13837	0.8
377.13858	0.7
401.13971	1.4
419.14349	0.7
523.15900	0.9
541.16827	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.05276	1.3
55.05519	16.6
57.03446	11.2
57.07083	6.8
62.25226	0.9
67.05520	7.9
69.03424	1.4
69.06733	1.3
69.07076	19.3
69.19836	1.3
69.20238	6.1
71.04995	0.9
71.08659	4.8
75.17255	0.6
79.05508	8.2
81.03426	55.2
81.07061	10.7
83.04985	2.5
83.08156	1.4
83.08628	22.0
85.10179	2.3
89.57236	0.8
91.05485	9.8
93.07034	6.9
95.04973	15.2
95.08599	4.7
96.20132	0.7
97.02900	1.7
97.06542	1.8
97.10194	10.2
100.49217	0.7
102.52491	0.7
105.07049	8.8
107.04965	2.9
107.08607	3.5
108.34655	0.7
109.06550	1.8
109.10128	0.9
111.04453	1.7
111.08073	5.2
111.11719	2.6
115.05462	1.2
117.06997	0.9
119.08584	6.3
121.06504	0.8
121.10151	5.2
125.09641	0.9
129.07031	5.9
131.08575	4.3
131.12114	0.7
133.06506	1.2
133.10139	3.6
135.11668	1.5
136.74905	0.8
139.11223	0.9
142.07764	1.8
145.10118	2.1
147.08133	1.1
147.11650	4.8
149.09627	3.3
157.10149	6.0
165.12778	1.0
175.11209	5.3
178.24986	0.7
181.03868	0.8
185.13077	0.8
193.12257	18.3
211.13347	1.5
223.13199	1.0
249.15005	1.8
267.15942	100.0
311.25839	59.5
312.26279	0.8
313.27466	1.7
414.18030	0.8
455.08624	0.8
503.37366	41.9
579.04517	0.8
588.39368	2.8
588.47510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01884	1.1
55.05276	1.2
55.05519	18.9
55.13880	0.8
56.85825	0.7
57.03448	9.2
57.07089	6.8
63.27151	0.8
67.05520	10.5
67.15968	0.7
69.03431	1.7
69.07077	18.3
69.35443	5.6
71.05003	2.0
71.08633	4.2
77.38540	0.8
79.05495	8.0
79.32767	0.7
81.03428	53.2
81.07071	8.1
83.04992	4.3
83.08150	1.7
83.08630	25.0
85.02917	1.0
85.06599	0.9
85.10188	1.8
91.05490	10.9
93.07043	5.6
95.04979	11.8
95.08646	4.7
97.06560	2.3
97.10181	12.8
98.21539	1.6
105.07036	7.8
107.04989	3.0
107.08618	3.5
109.06525	2.0
109.10171	2.6
111.04485	1.5
111.08115	4.9
111.11738	3.4
117.07069	1.0
119.08615	8.2
121.06499	1.6
121.10203	4.9
123.11723	0.8
125.09612	1.0
129.07021	5.9
131.08588	4.9
133.06487	1.8
133.10149	2.8
135.11670	1.4
137.09615	1.0
142.07816	1.4
145.10135	1.2
147.08086	2.4
147.11693	3.8
149.09657	2.5
157.10161	6.2
163.11168	0.9
165.12819	0.8
175.11212	5.3
193.12289	14.6
209.79138	0.9
211.13365	1.9
245.31966	0.8
249.14975	2.1
267.15958	100.0
308.43771	0.9
311.25839	58.1
313.27319	1.6
429.33441	0.8
503.37375	47.2
521.38202	1.5
553.39557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.05511	2.8
58.06610	1.4
66.67567	1.2
67.05499	4.2
71.07372	5.1
72.08164	15.9
79.05500	72.9
80.28178	1.0
81.03410	1.5
81.07066	6.2
91.05480	16.8
93.07039	5.5
95.04968	6.1
95.08602	1.9
98.06069	1.3
105.07027	13.1
107.04972	2.0
107.08603	58.7
109.06564	1.9
110.35432	1.1
117.07060	1.2
119.06125	2.0
119.08588	4.7
124.07590	1.2
129.07021	1.5
131.08560	1.9
133.06552	2.4
133.10126	8.8
134.06036	4.8
139.09927	14.8
147.11711	10.1
149.13281	4.2
150.12805	1.2
152.10748	1.8
175.11194	5.6
179.45673	1.3
210.10670	1.2
218.07352	6.7
221.09653	1.8
233.09665	17.6
234.10371	3.1
235.07610	2.8
246.18558	100.0
250.09967	2.6
250.12364	5.2
264.19604	33.7
264.22443	1.5
265.12213	4.0
292.13480	1.9
324.10992	2.6
324.15891	7.6
551.34888	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	588.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76748	0.3
56.05037	1.4
57.05828	0.4
69.07075	6.0
69.26666	0.9
69.27089	1.5
70.06593	1.1
73.31147	0.3
74.06087	3.1
84.04511	0.8
84.08150	1.1
86.09715	100.0
91.05529	0.3
97.06541	0.3
98.06081	0.5
102.05553	0.4
104.03372	0.3
114.09219	0.3
116.07114	1.5
126.05528	7.2
128.07097	0.3
130.04994	0.5
137.06033	0.4
144.06541	0.5
145.22957	0.3
148.06064	3.0
153.06584	1.4
157.13362	4.5
158.08908	0.2
169.09782	0.7
174.40985	0.2
185.12860	0.7
197.09227	16.0
199.18109	1.1
215.10309	6.2
215.13745	0.3
227.17540	2.2
238.15482	0.6
243.13530	0.4
261.14511	8.1
282.18106	0.6
298.21384	0.6
300.19211	16.1
310.17682	0.7
328.18701	35.5
369.32056	0.3
374.22528	1.2
410.41092	0.3
441.27209	3.7
443.46664	0.3
588.24622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	1.0
58.06601	0.4
58.23246	0.3
60.07884	0.4
60.08167	5.7
67.05523	0.4
71.02942	0.6
71.03293	0.4
71.07380	3.0
74.06259	0.3
81.07014	0.3
86.09714	29.2
98.98466	2.9
102.69072	0.3
104.10750	3.2
107.08604	0.5
109.10093	0.3
125.00020	19.1
184.07355	100.0
283.46237	0.3
514.17737	0.3
525.64960	0.3
570.35211	1.1
588.36700	5.3
604.78131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
53.04177	0.3
55.01852	0.4
57.03431	0.4
57.07082	22.2
60.20454	0.4
65.03944	0.5
66.04716	0.7
69.03429	4.5
69.15488	4.1
71.04983	0.5
79.05505	2.1
81.03429	7.5
81.07037	0.8
85.02912	4.2
85.06550	3.7
91.05482	3.0
94.04186	3.4
95.04973	0.5
97.02905	6.4
99.04465	1.5
103.03962	0.7
103.05474	1.6
103.07586	1.5
104.54879	0.4
105.07044	5.3
107.04961	1.5
109.02881	5.1
109.06537	2.1
112.72002	0.3
115.05449	3.6
116.06257	0.5
117.07026	0.9
118.04147	0.4
119.04954	0.4
119.08604	2.4
121.06499	0.5
122.03665	7.0
127.03935	5.6
128.06236	1.6
129.07008	2.0
131.04956	1.6
132.05716	1.7
133.06511	3.8
137.05991	100.0
141.07004	0.9
143.04976	0.7
143.06029	0.4
144.05727	0.7
145.04980	2.8
145.06480	1.0
146.03688	0.8
147.04413	1.5
147.08083	3.1
149.06009	1.4
151.07619	0.9
152.04655	0.4
155.04935	1.1
156.05727	0.7
157.06541	0.7
159.08055	2.8
160.05237	1.6
161.05997	13.3
163.07544	1.8
165.05557	0.4
165.07048	0.5
167.07092	0.8
171.08090	0.8
172.05215	0.9
175.07564	30.0
177.09154	0.7
179.07076	1.3
184.05240	1.3
185.05998	0.6
186.43649	0.4
187.07565	7.5
189.07050	0.7
189.09131	0.9
190.07733	2.2
191.08578	7.6
199.07553	7.5
202.07806	2.8
203.08583	5.5
205.06674	0.5
208.08894	1.1
217.08621	0.8
218.07310	2.4
219.08080	10.6
220.08853	2.1
229.08383	0.7
229.10712	8.6
231.08044	5.9
232.08891	1.4
233.09656	0.9
235.07581	1.1
235.11308	0.5
236.08344	2.4
237.09009	0.7
247.07594	5.1
247.11816	0.7
248.08327	3.4
249.09143	1.1
251.10689	14.6
253.08690	0.9
258.06857	0.5
259.07544	4.2
260.06003	0.4
260.08209	1.9
261.09171	1.3
263.10733	4.1
264.07846	1.1
265.08640	1.2
275.07376	0.4
276.07779	2.4
277.08630	2.1
278.76181	0.4
279.10202	9.2
280.10910	1.2
281.08301	0.8
283.06268	0.5
291.10165	11.5
292.10995	2.5
293.08005	0.9
295.13284	1.4
296.10416	0.9
303.10394	0.4
308.10541	1.4
311.12793	27.6
321.11288	0.6
323.12805	16.7
327.22336	0.4
335.12836	0.9
341.13919	1.4
401.14075	0.7
419.15088	0.4
424.50803	0.4
587.30756	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.0
55.01891	8.1
55.05508	8.5
57.68610	9.4
65.80357	9.0
67.05497	15.4
68.94434	8.3
69.79733	29.6
74.09715	8.6
79.05509	9.8
81.03445	14.2
81.07067	16.6
91.05483	31.9
91.11731	8.1
93.06546	11.8
93.07059	100.0
95.04959	16.8
95.08618	41.9
99.38741	8.7
102.45412	8.7
105.07047	12.8
107.04894	12.2
107.08608	33.2
129.06996	9.6
135.11714	90.1
137.05974	75.5
137.78748	8.9
151.07581	73.9
174.06793	24.7
175.07564	79.7
187.07498	20.3
188.08339	10.8
189.09151	91.5
199.16898	9.2
201.09149	32.8
203.10591	20.6
205.08688	10.3
219.10179	23.6
231.10269	9.6
235.09802	13.9
249.11290	24.0
291.09903	12.2
328.14676	9.1
337.14392	21.9
355.15338	24.2
426.09735	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	587.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	16.9
58.10559	1.7
61.35552	1.4
69.03392	1.7
70.98133	3.5
81.38017	1.4
81.43224	1.6
84.96040	7.6
86.05874	1.4
98.21532	4.3
98.97588	91.0
101.00916	2.5
108.56171	1.5
110.97576	30.9
112.99156	3.9
116.98640	28.1
119.01912	2.3
124.99140	2.8
127.00678	2.1
128.98618	28.8
134.99638	4.1
140.98601	11.5
143.00180	20.3
143.01909	2.9
144.98114	4.2
145.01863	1.7
146.99696	10.2
152.98631	6.4
155.00029	1.9
155.01897	4.7
156.98082	1.7
158.99680	32.4
161.01244	15.4
161.02821	2.2
163.03893	2.3
165.00748	2.9
170.99664	35.8
171.59563	1.5
172.97604	4.5
173.01245	4.7
173.02977	5.7
174.99174	4.4
177.00739	20.2
182.99669	27.3
185.03032	5.3
186.99121	6.4
189.00743	29.1
190.02820	1.9
190.98605	3.7
191.02275	2.5
193.00209	2.5
201.00723	75.7
201.02592	3.8
202.98668	2.0
203.02304	2.6
203.04062	2.4
205.00137	3.7
207.01794	3.0
213.00755	8.0
213.02483	1.8
214.98575	3.6
217.00323	2.6
219.01782	52.5
229.47162	2.0
230.98241	3.7
231.01770	8.3
232.99704	6.9
235.01332	2.7
237.02849	24.1
243.01785	31.4
244.99644	2.6
245.05058	9.8
247.01273	5.1
248.99242	10.5
249.02844	2.4
255.03891	4.9
261.02832	100.0
263.00766	7.7
265.02335	3.5
272.99457	1.7
273.02917	9.0
275.00656	2.6
275.05966	1.6
279.03903	40.5
281.01907	8.1
289.02295	4.3
291.00211	7.3
291.03839	17.0
305.01837	5.7
305.06989	3.2
307.03302	2.9
309.61789	1.6
317.02121	2.0
319.03256	3.7
321.01584	1.7
321.04980	40.3
323.02841	2.1
331.03320	2.8
333.01538	3.8
333.05020	5.4
335.02899	4.5
349.04340	4.8
351.02234	1.8
351.06064	12.3
365.04175	2.4
365.09348	2.6
375.02304	4.5
381.07178	19.4
393.03351	13.4
399.08273	16.5
407.05298	2.6
409.06387	2.7
427.07574	19.9
469.08862	8.5
493.08597	2.5
495.06717	2.4
497.08047	4.4
511.09650	2.9
527.09100	5.2
555.08704	48.2
587.11719	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44621	3.8
50.58980	4.5
53.03938	6.7
55.05503	15.4
57.07061	9.1
60.55321	4.1
67.05509	31.3
69.03430	7.6
69.07059	20.0
71.04979	4.8
71.52516	6.2
79.05495	30.3
81.07051	45.0
83.04961	7.1
83.08627	12.4
85.06548	8.0
91.05489	55.2
91.16031	4.4
93.07053	80.7
95.04971	19.1
95.08604	61.4
103.05470	4.1
105.07038	75.7
107.08608	62.5
109.06522	15.2
109.10162	51.0
115.05441	5.7
117.07024	20.0
119.08591	100.0
121.06496	9.0
121.10146	89.8
123.08099	9.2
123.11701	18.9
128.06213	8.0
129.06985	13.6
130.07776	5.6
131.08592	39.7
133.10141	80.9
135.08061	22.3
135.11700	42.6
137.09610	16.1
139.11205	6.6
141.07005	5.8
142.07777	16.6
143.08559	28.8
145.10133	80.6
147.08038	6.4
147.11722	39.3
149.09633	9.2
149.13184	5.8
151.11174	5.4
155.08537	11.4
156.09399	11.9
157.10146	54.1
158.10802	8.0
159.08044	14.3
159.11694	33.4
161.09601	10.7
161.13225	14.4
163.11118	6.6
165.06973	4.8
167.08456	4.7
169.10165	18.1
171.11710	32.9
172.12469	7.4
173.09663	9.1
173.13272	39.6
175.11270	6.7
175.14815	51.7
179.08580	8.6
181.10106	13.8
182.10907	6.4
183.11690	24.0
185.13239	16.0
185.57689	4.5
187.11066	6.4
187.14818	26.0
189.12817	5.9
191.14380	8.9
192.09380	4.5
193.10106	5.9
195.11691	15.2
197.13315	22.1
199.14795	16.6
201.16396	12.0
207.11711	10.1
209.13181	17.0
210.14085	4.5
211.14874	12.3
213.12749	8.0
213.16365	14.4
215.14293	6.1
217.15981	4.8
219.17468	5.7
221.13242	8.9
223.14848	10.3
224.15576	4.9
225.16391	6.8
227.14383	7.6
231.17633	4.3
235.14839	11.9
237.16496	9.5
239.17909	8.5
241.19460	6.3
251.18001	6.2
257.15756	4.8
257.19077	13.9
259.20419	5.0
265.19727	8.6
267.21048	8.8
275.17847	5.6
283.20544	10.4
285.22168	11.4
287.20306	5.7
291.21072	6.9
361.25290	8.9
429.31570	7.2
443.19431	6.2
483.14893	5.2
484.68112	4.6
549.41089	8.2
567.42334	24.1
585.22009	53.8
585.43146	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.39
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93356	4.0
67.05495	7.0
70.06608	23.6
71.07387	5.0
72.08145	13.2
79.05503	83.3
81.07061	12.7
85.02918	4.5
91.05492	27.3
93.07047	9.5
95.04980	10.3
105.07059	31.6
105.16737	4.7
107.08614	58.7
119.08574	9.9
121.06544	4.7
131.08632	7.1
133.10132	10.8
137.38826	4.5
139.09886	11.8
143.29381	4.4
147.11690	27.5
175.11145	8.4
244.17030	8.9
246.18538	42.8
260.39944	4.5
262.18137	7.0
264.19623	8.9
265.47150	5.0
304.19092	100.0
322.11142	8.6
549.35608	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	585.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12836	4.1
53.03952	5.3
55.05505	17.6
57.07078	8.6
67.05524	29.2
69.07059	17.1
71.52258	7.0
71.52650	4.7
74.30242	5.5
76.49463	4.9
79.05499	27.9
81.07070	54.5
83.08627	7.6
89.06023	7.2
91.05485	36.1
93.07054	52.0
93.75200	5.0
95.04961	8.5
95.08602	35.5
95.28880	5.1
105.07050	73.7
107.04978	6.0
107.08612	56.3
109.06532	100.0
109.10170	45.0
117.07027	19.5
119.08600	81.3
121.06532	7.5
121.10146	43.3
123.08100	11.2
123.11751	12.6
128.06181	5.6
129.07019	10.8
130.07744	6.0
131.08591	51.2
133.10150	52.0
135.08072	38.4
135.11719	31.5
137.09648	7.6
141.07085	4.8
142.07802	15.5
143.08594	27.8
144.09344	9.9
144.98199	5.4
145.10143	70.1
147.08035	5.8
147.11700	32.6
149.09633	7.6
149.13290	11.1
155.08533	12.3
156.09436	7.2
157.10150	52.6
158.10921	9.9
159.08058	5.5
159.11696	31.1
161.13237	16.0
166.18547	4.4
167.10776	5.2
169.10135	20.1
170.10918	6.6
171.11740	21.7
173.13292	31.0
175.11211	6.8
175.14874	25.2
179.08559	4.8
181.10052	6.2
183.11732	16.5
185.13263	16.9
187.14874	7.7
191.14308	34.4
193.10028	8.1
195.11749	18.5
196.12573	5.8
197.13248	14.2
201.16350	8.8
203.14299	10.7
209.13235	14.6
209.15392	15.9
211.14764	11.2
221.13257	8.9
223.14926	7.5
225.16371	12.9
226.17090	8.1
227.14255	6.5
235.42426	5.3
250.42291	4.8
263.17966	6.4
363.26703	9.4
364.27515	12.9
366.63193	5.0
447.32245	7.8
549.40778	5.0
567.41748	17.6
585.22186	6.3
585.43622	10.0
585.55829	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.4
57.03428	1.1
57.07090	0.8
58.24135	0.4
58.38158	0.4
59.26067	0.4
67.05515	7.1
68.05793	0.5
69.07082	4.7
69.35444	3.6
70.06590	0.4
71.04991	0.5
71.08628	0.6
79.05503	3.2
81.03436	0.7
81.07067	6.5
82.07381	0.5
83.08643	3.0
84.04492	0.5
89.06030	1.3
91.05502	2.3
93.07045	3.0
95.04980	0.6
95.08613	6.5
97.06551	0.5
97.10184	1.4
105.07043	2.7
107.04968	0.6
107.08630	2.5
109.06587	0.6
109.10164	4.7
110.10513	0.4
117.07063	0.6
119.08591	1.6
121.10159	1.7
123.08070	0.6
123.11725	0.9
127.11201	0.7
131.08549	0.7
133.10155	1.8
135.11713	1.5
137.09601	0.8
137.13243	0.5
143.08653	0.9
145.10126	1.6
147.11676	1.0
157.10147	0.9
159.11710	0.6
161.13342	0.4
163.11200	0.8
171.11812	0.6
173.13171	0.5
175.14861	0.6
190.40170	0.5
206.70744	0.5
222.15753	0.6
227.13054	0.4
244.16507	0.4
249.11015	33.3
256.26389	0.6
262.20566	0.4
275.20160	0.5
283.26828	0.5
305.13547	3.6
337.27545	1.9
372.23355	0.5
429.19934	0.4
506.39124	1.0
550.42004	0.7
584.56360	0.6
585.37634	100.0
586.37915	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.05520	4.9
57.07067	10.0
67.05504	12.1
67.19823	2.6
69.07073	8.5
69.72558	16.0
79.05486	12.6
79.60083	2.7
81.07063	22.5
85.06533	3.8
89.06043	17.9
91.05485	25.2
93.07058	41.4
95.04975	5.4
95.08624	25.8
97.06535	5.0
104.95145	2.6
105.07047	44.3
107.08616	25.0
107.92727	2.6
109.06522	5.5
109.10162	9.5
114.35518	3.3
115.05430	5.2
117.07014	13.7
119.08591	52.5
120.09364	6.0
121.06554	4.2
121.10155	22.1
123.08070	8.7
123.11711	3.0
125.05954	2.9
128.06253	4.6
129.07036	8.1
130.07845	5.0
131.08578	31.4
132.09283	3.6
133.08630	9.3
133.10147	22.7
135.08061	10.3
135.11726	8.0
137.09613	6.9
142.07774	12.8
143.08577	23.6
144.09322	10.7
145.10138	43.4
147.08040	14.8
147.11688	11.4
149.09647	5.1
151.07556	4.4
155.08586	11.7
156.09341	10.9
157.10124	37.5
158.10968	6.5
159.11720	25.4
160.08911	3.4
161.09615	5.9
163.11247	6.9
165.09116	22.2
167.08554	8.0
168.09334	4.7
169.10130	10.3
170.10907	8.1
171.11748	26.1
172.12471	6.2
173.09633	5.7
173.13284	13.3
173.27718	2.7
175.11171	7.9
175.14812	9.7
179.08582	3.9
180.09506	2.7
181.10130	9.5
181.12283	5.9
182.10918	5.1
183.11745	16.1
185.13319	15.2
187.11288	5.0
187.14792	3.2
190.13606	3.2
191.14357	3.1
193.10139	6.1
193.12227	6.6
194.10974	2.9
195.11729	9.4
197.13264	13.1
197.97716	3.1
199.14844	4.2
201.16367	3.3
203.14354	13.2
206.11053	3.3
207.13852	7.0
208.12624	2.9
208.14647	5.3
209.13295	14.5
211.11209	3.3
211.14822	5.4
219.11697	3.4
219.13855	4.4
221.13292	7.6
221.15401	44.3
223.14815	11.4
225.16577	4.0
234.16168	5.7
235.14969	6.2
237.12862	3.2
237.16432	7.6
247.17001	7.1
251.18037	4.3
263.18137	5.9
271.20593	4.4
275.18036	3.4
281.19037	2.8
286.19186	3.2
299.19980	7.2
300.28912	4.0
311.29370	5.6
312.24594	3.9
325.21622	12.7
337.21539	7.9
352.23975	55.6
365.24887	5.9
371.22656	8.0
398.28189	6.1
404.30786	5.7
412.29913	17.9
438.31305	15.4
489.33661	4.8
491.35260	10.2
504.36023	100.0
566.40424	3.8
569.39093	3.3
584.42108	17.0
584.56262	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75015	1.6
55.05522	3.2
56.56624	1.6
57.07070	5.1
59.04989	1.5
67.05502	5.8
69.07061	6.2
69.81281	7.9
79.05511	7.0
81.07074	10.2
83.05021	1.5
83.08623	2.4
85.06528	2.0
85.10208	1.5
89.06052	10.1
91.05486	11.0
92.72090	1.4
93.07059	13.4
95.04964	4.6
95.08617	11.4
97.06515	1.8
105.07041	18.6
107.08588	9.3
109.06525	2.5
109.10174	5.6
117.07021	6.7
119.08591	22.6
119.09388	2.4
121.10165	7.9
123.08129	2.9
128.06255	2.1
129.07021	4.2
130.07802	2.0
131.08572	10.7
133.06569	1.5
133.08595	8.0
133.10120	11.6
135.08073	5.1
135.11682	3.4
137.09610	2.2
142.07803	4.9
143.08569	9.1
144.09370	4.8
145.10141	17.6
147.08067	3.9
147.11687	3.5
149.09689	2.0
151.07542	2.3
152.45769	1.4
153.07092	1.6
155.08594	4.6
156.09364	2.9
157.10136	14.0
158.10893	3.3
159.11708	8.8
161.09610	4.2
163.11215	2.4
165.09157	6.4
167.08588	2.2
169.10124	3.9
170.10851	1.7
171.11693	9.4
172.12444	2.1
173.09706	1.7
173.13223	7.5
174.74623	1.6
175.11223	3.8
175.14848	3.5
177.11264	3.8
179.09195	2.9
181.10127	2.2
181.12331	2.7
183.11710	5.5
185.13258	6.2
186.15672	1.5
187.14943	2.3
193.08609	2.8
193.10228	3.4
195.11771	3.0
197.13324	6.5
199.15042	1.4
202.56223	1.4
203.14511	3.0
207.11858	2.8
207.13760	2.3
207.95392	1.6
209.13315	5.7
211.15013	3.1
217.16013	1.7
221.13489	3.3
221.15419	16.8
223.14828	4.8
234.16162	2.9
247.16928	3.3
299.20096	3.4
302.17294	100.0
311.29318	3.6
325.21683	3.7
337.21811	2.6
352.23941	22.4
365.25098	2.6
371.22815	6.0
404.30685	2.1
412.29913	7.5
438.31616	3.6
489.33902	3.4
491.35428	3.0
504.36002	35.9
569.39532	2.1
584.42841	64.3
584.56659	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	10.3
57.07077	10.0
67.05513	23.5
67.76536	4.9
69.03413	9.1
69.07057	20.0
70.06621	5.4
70.91085	5.3
71.08640	5.5
79.05500	27.1
81.07071	38.7
83.04964	4.8
83.08625	4.8
83.87839	4.3
89.06048	10.0
91.05489	43.8
93.07045	52.3
95.04962	21.5
95.08639	29.7
97.06507	6.0
98.21546	9.0
105.07040	74.4
107.08611	38.3
109.06507	5.9
109.10152	21.2
115.05465	8.9
117.07021	30.4
119.08588	100.0
120.09407	7.5
121.10182	31.3
123.08080	16.4
128.06201	14.7
129.07036	27.4
130.07794	5.6
131.08585	57.3
133.08609	5.6
133.10161	40.9
135.08060	15.0
135.11699	16.1
137.09612	10.5
138.10359	7.0
139.11154	5.1
139.29845	4.5
141.07004	15.1
142.07788	18.3
143.08568	43.5
144.09315	15.0
145.10146	64.6
147.08032	8.3
147.11691	21.6
149.09586	9.4
153.07120	6.2
155.08560	21.9
156.09366	13.5
157.10136	49.5
158.10753	8.1
159.08090	6.7
159.11711	41.7
161.09689	6.6
161.13254	13.2
163.11176	12.4
165.06987	5.9
165.09138	5.8
167.08542	11.3
169.10109	20.8
170.10854	8.3
171.11703	39.9
173.09608	11.6
173.13263	28.8
175.14861	15.0
179.08624	11.3
180.09323	7.0
181.10141	21.0
182.10947	10.4
183.11716	24.1
185.09612	5.9
185.13268	18.2
187.11121	6.8
187.14839	11.0
192.09392	5.6
193.10129	8.7
194.10950	10.7
195.11694	22.8
196.12512	8.8
197.13274	22.1
199.14818	15.9
201.12836	5.3
205.10306	5.7
207.11682	13.7
208.12448	5.7
209.13290	29.6
211.14853	7.8
213.16342	6.2
221.13312	15.8
221.15390	7.5
223.14804	11.3
225.16447	8.1
233.13136	8.8
235.14928	7.5
237.16420	10.0
248.15616	5.3
253.19647	5.3
255.17525	14.0
261.16278	6.0
270.19772	6.2
285.22281	7.1
300.29153	5.7
311.29575	13.2
354.25488	19.9
464.37762	5.5
464.85300	5.2
474.33978	6.2
488.76547	6.2
492.36041	11.8
566.40509	8.2
584.42004	63.1
584.55975	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.6
55.01870	1.4
55.05518	0.6
57.03437	1.0
57.07072	0.6
61.02938	0.6
62.63402	0.5
66.48068	0.4
66.85938	0.5
67.05515	3.4
68.05030	0.8
69.03437	5.7
69.07072	3.2
70.06597	4.9
70.23566	1.2
71.04993	1.8
73.02917	1.3
79.05492	1.9
81.03418	5.9
81.07061	2.4
82.06118	1.0
82.06580	10.6
83.04978	0.8
84.08133	2.4
85.02908	6.8
85.98681	0.5
86.09711	0.6
87.00841	4.1
88.03993	4.8
91.05494	2.9
93.07052	2.1
95.04984	4.6
95.08604	1.6
96.08124	1.8
97.02891	3.8
97.06560	1.2
98.09675	2.5
98.20824	0.5
99.04451	2.8
100.07615	3.3
105.01850	1.1
105.07018	3.9
107.04974	0.7
107.08603	2.4
108.08083	0.7
109.02892	4.7
109.06538	2.4
109.10167	2.8
110.09670	0.7
111.04453	1.2
116.07096	0.6
117.01905	1.0
117.07036	1.6
119.08604	1.7
120.08096	1.1
121.06494	1.5
121.10146	1.6
122.09703	0.7
123.11716	0.7
127.03920	5.1
128.07083	89.2
129.01849	0.8
131.08562	2.1
133.06502	1.3
133.10167	2.6
134.09641	1.1
135.08060	6.0
135.11720	1.2
136.11214	2.1
137.06055	0.5
142.08641	1.3
143.08598	1.0
145.04944	0.6
145.06512	0.6
145.10136	1.2
147.08015	0.9
147.11679	1.7
149.09639	2.0
154.32726	0.5
157.10139	1.1
159.02875	1.7
159.08078	3.3
159.11691	1.4
161.09613	9.1
163.11244	1.0
164.14355	2.0
169.10172	1.2
173.09535	0.6
173.13197	0.5
174.12714	1.1
175.11243	2.2
176.10699	0.8
177.09120	1.0
177.11473	0.9
183.11716	0.6
185.09583	0.6
187.07574	0.6
187.11139	2.2
189.12674	0.6
190.08629	1.4
190.12234	1.0
192.13864	2.7
192.40820	0.5
201.12859	1.0
202.13547	1.1
203.10663	0.6
205.08611	6.1
205.12242	1.6
206.15311	0.5
215.17921	0.5
217.15828	1.5
218.15407	1.3
219.10193	1.1
231.10231	1.6
234.14926	1.4
236.12814	1.9
236.16560	1.3
243.17436	5.0
249.11223	1.8
261.18530	5.7
262.14456	0.8
274.21719	2.5
280.15466	3.0
286.18130	0.7
287.16412	1.5
290.21045	0.9
292.22711	2.7
305.17407	1.5
318.20612	2.9
336.21707	100.0
337.22040	0.7
348.21616	2.1
378.22787	0.6
422.25262	0.6
490.84213	0.5
498.26947	3.8
520.22986	0.5
538.24738	0.7
540.27966	1.7
566.25232	0.9
584.26807	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4152
Annotation	Pectenol A/ (Pectenol)
Peak:m/z	Relative Intensity
53.03943	3.0
55.05513	6.3
57.07080	4.6
59.05011	3.7
65.20652	1.3
67.05504	11.2
69.03435	2.8
69.07063	4.9
79.05497	11.6
79.90961	1.5
81.03413	2.8
81.06739	1.2
81.07082	13.9
81.56847	1.5
83.04974	2.6
83.08618	2.7
85.06538	2.6
91.05482	15.8
93.07063	22.5
95.04975	3.1
95.08617	21.5
97.06564	2.0
99.21132	1.5
105.07048	23.1
107.08604	15.3
109.06529	4.5
109.10170	10.0
111.08100	1.6
115.05447	1.6
117.07042	5.1
119.08598	23.8
119.09377	2.1
121.06563	2.7
121.10153	15.9
123.08062	10.3
128.06277	3.1
128.99725	1.5
129.07011	5.2
130.07796	1.6
131.08597	8.0
133.06448	2.2
133.10150	12.9
135.08093	5.0
135.11714	4.2
137.09653	7.6
141.07040	2.8
142.07788	7.4
143.08594	12.6
145.10130	16.8
145.11148	1.6
147.08067	10.5
147.11690	4.1
149.09546	1.6
151.07571	12.6
153.07123	1.8
155.08609	4.7
156.09372	7.0
157.10138	20.9
158.10950	2.0
159.11710	8.3
161.09659	3.4
161.13344	3.9
163.11203	3.8
165.07051	2.0
165.09122	25.6
167.08594	2.7
169.10153	7.9
170.10983	2.7
171.11714	10.0
173.09642	1.5
173.13252	6.6
175.14899	3.7
179.08603	3.2
180.09349	2.0
181.10251	3.9
181.12344	2.2
182.10980	3.9
183.11714	7.1
185.13246	9.0
187.14874	2.2
189.12776	4.6
191.14294	2.7
193.10162	4.6
194.10988	3.2
195.11732	6.2
196.12460	3.1
197.13261	8.3
199.14900	3.3
201.12744	1.7
203.14389	11.6
206.10959	2.2
207.11758	4.8
207.13823	5.2
208.12451	2.0
209.13309	8.3
211.14864	3.7
213.16432	1.8
219.11777	1.5
220.12531	2.3
221.13290	5.6
221.15352	41.3
223.14908	6.0
225.16418	2.3
227.18167	1.5
231.11665	1.8
233.13258	4.0
235.14856	4.2
237.16479	1.7
245.13232	1.8
247.14766	2.2
247.17044	2.4
249.16443	1.7
259.14795	2.0
261.16418	1.9
265.19550	3.5
272.79453	1.4
275.17944	2.0
277.19708	2.5
279.21088	2.2
283.20541	2.3
289.19641	2.3
295.20557	2.7
297.22208	3.1
347.23907	1.6
352.23608	1.4
357.25720	2.9
365.24707	1.9
375.26932	3.7
397.13837	1.7
403.29959	8.3
503.35495	3.3
509.34195	1.7
547.39587	3.3
565.40387	23.6
583.41547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.05507	6.7
57.07076	5.8
59.05019	2.1
67.05511	14.7
69.03428	3.6
69.07077	9.3
69.76746	8.0
69.77155	2.8
71.04997	2.2
71.08633	1.9
72.25543	1.4
79.05496	14.5
81.07066	18.0
83.04984	4.6
83.08625	6.6
85.06556	4.3
91.05485	24.1
93.07053	27.7
93.83339	1.8
95.04982	6.2
95.08611	20.0
97.06533	3.6
98.98470	2.3
101.68097	1.5
103.05453	2.2
105.07040	36.9
107.08601	25.0
109.06539	4.3
109.10165	15.2
111.08085	2.5
111.11729	2.1
115.05502	2.2
117.07040	9.7
117.89169	1.4
119.07952	0.8
119.08595	37.5
121.06520	3.2
121.10157	38.0
123.08074	11.4
123.11726	3.3
125.05973	3.0
125.09556	2.4
128.06262	6.2
129.07039	8.5
130.07782	2.4
131.08585	19.0
133.06506	1.8
133.10144	29.8
135.08073	5.0
135.11755	10.4
137.09644	6.4
141.07021	4.0
142.07790	13.3
143.08574	23.5
144.09343	5.0
145.10141	25.3
147.08076	7.1
147.11691	8.7
149.09637	5.3
149.13327	3.8
151.07521	10.2
151.11157	1.5
153.06998	2.0
155.01079	3.6
155.08522	9.4
155.10680	2.4
156.09380	11.4
157.10136	30.0
158.10986	3.1
159.08060	2.9
159.11700	16.2
161.09680	4.4
161.13287	3.3
163.11230	5.0
165.06966	3.7
165.09122	10.4
167.08563	4.9
167.10703	18.0
168.09384	3.7
169.10173	14.4
170.10918	5.6
171.11707	17.3
173.09686	3.5
173.13290	14.9
175.11253	3.9
175.14897	6.2
177.12753	1.7
179.08664	7.0
180.09389	4.0
181.10193	7.5
181.12294	3.8
182.10965	7.2
183.11736	18.6
184.12531	2.6
185.09619	1.8
185.13264	10.8
187.14903	4.3
189.12805	3.7
191.14317	2.5
192.09399	2.7
193.10161	6.6
194.10941	5.7
195.11711	12.9
196.12463	3.1
197.13300	10.2
199.14882	7.2
203.14343	5.5
205.15924	1.6
206.10896	4.8
207.11743	11.5
207.13791	5.4
208.12544	4.3
209.13246	17.0
211.14870	10.0
211.36516	1.6
213.16460	2.9
215.14397	2.7
217.10088	2.2
217.15945	5.4
218.10934	1.6
219.11754	4.6
220.12439	3.3
221.13297	10.3
221.15448	15.8
222.14163	3.0
223.14859	8.0
225.12767	2.3
225.16425	6.1
230.10933	2.1
232.12363	2.0
233.13271	6.5
233.15434	6.7
234.14001	3.3
235.14868	7.2
237.16394	5.2
239.18034	3.9
245.13248	3.7
246.14108	3.1
247.14839	6.7
248.15631	1.8
249.16414	4.9
251.18108	2.2
253.19440	2.5
255.17572	1.9
257.19098	3.6
259.15048	3.3
260.15677	3.1
261.16476	5.0
262.17334	1.9
263.17969	3.2
265.19489	5.4
269.19110	3.5
271.20627	2.8
273.16354	3.7
274.17105	2.1
275.18002	4.5
277.19498	2.9
281.18890	2.6
283.20645	6.0
289.19534	3.0
293.18951	2.3
295.20544	3.8
297.22119	1.8
307.20682	2.7
323.79913	1.7
329.22760	2.0
335.23734	1.8
341.30676	1.7
347.23529	2.1
349.25284	3.7
357.26233	1.9
365.24756	1.9
375.27039	3.1
401.18106	1.7
403.30042	4.3
409.35788	1.5
441.77182	1.9
503.35522	1.7
547.39288	2.1
565.40424	19.0
583.41467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72011	2.8
55.05506	10.6
57.07084	5.4
59.05006	5.1
65.03940	3.7
67.05517	16.8
69.03432	3.6
69.07063	13.0
69.40238	21.6
74.91294	2.8
79.05489	15.8
80.26208	2.8
81.07063	23.4
83.04995	3.2
83.08614	6.1
84.97161	2.8
85.06584	3.3
88.74866	3.0
91.05495	25.6
92.58051	3.0
93.07049	34.3
95.04962	4.6
95.08621	27.1
97.06556	5.3
98.97693	4.0
99.09225	5.3
100.11228	3.0
103.05437	4.4
105.07040	41.8
107.08591	28.3
109.06500	8.2
109.10171	10.2
117.07025	8.2
119.08588	43.2
121.06512	3.9
121.10142	30.8
123.08083	13.4
123.11704	3.4
128.06282	6.6
129.07034	6.7
130.07767	5.4
131.08580	24.0
133.10144	19.2
135.08084	4.9
135.11731	4.7
137.09625	9.4
137.29970	3.3
140.62718	2.8
141.07031	6.3
142.07788	17.1
143.08569	25.1
144.09352	3.7
145.10138	27.8
147.08078	12.1
147.11671	7.0
149.09566	4.7
151.07579	9.5
154.07663	3.3
155.08623	10.4
156.09340	10.0
157.10155	32.1
158.10837	4.9
159.11690	19.1
161.09608	6.0
161.13304	3.5
163.11275	5.1
165.07043	5.4
165.09125	22.7
167.08641	5.8
167.10704	3.7
168.09386	6.2
169.10097	15.1
171.11736	21.0
173.13249	10.4
175.14865	6.9
179.08646	7.8
181.10172	11.9
181.12410	3.1
182.10855	4.7
183.11656	15.1
184.12434	3.6
185.13313	13.1
187.14816	4.7
189.12721	4.2
191.14365	4.8
193.10178	6.5
194.10930	6.4
195.11716	16.3
197.13206	17.9
199.14848	8.8
203.14343	9.8
205.10130	3.5
207.11768	14.2
207.13710	5.2
208.12399	3.7
209.13264	18.1
211.14845	6.0
217.10184	3.2
217.15823	7.6
219.11794	4.5
220.12483	3.8
221.13301	7.4
221.15366	51.1
223.14880	10.5
231.11615	4.1
233.13274	5.4
235.14832	9.0
245.13467	4.9
246.14133	6.7
247.14853	5.5
249.16446	8.1
257.13385	3.0
259.14838	4.4
261.16382	6.8
265.19513	4.2
271.20789	3.3
275.18091	4.9
279.17465	3.0
283.20587	8.2
287.20154	4.9
295.20673	2.9
297.22159	6.7
333.21915	3.3
349.25110	3.8
375.26862	6.4
403.30035	9.5
503.35208	4.3
547.39563	3.8
565.40668	20.9
583.41437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28806	5.0
55.05513	6.9
57.07073	8.1
69.07070	11.5
69.41263	40.3
70.06589	15.6
81.07029	5.8
83.43707	6.0
88.07620	8.7
91.83729	4.7
102.09179	9.0
107.08620	7.4
200.91594	5.6
256.26321	17.0
283.26358	5.7
300.04742	6.0
300.28931	22.9
309.27869	25.1
311.25830	7.7
413.98340	5.7
519.36438	6.9
582.41327	5.5
582.45593	7.3
582.54669	100.0
583.41473	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	583.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	6.7
55.05514	13.5
57.07083	7.8
59.05003	4.1
65.03944	4.0
67.05513	22.0
69.03434	7.1
69.06793	1.2
69.07087	14.9
69.16600	4.2
69.17023	9.3
75.26240	1.3
79.05509	23.5
81.07063	26.0
83.04996	7.3
83.08630	7.6
85.06543	5.0
91.05491	43.0
91.42447	1.4
93.07057	43.6
95.04981	7.5
95.08619	29.8
97.06535	5.4
103.05490	3.7
105.04542	1.5
105.07042	62.1
107.08606	37.9
108.23619	1.4
109.06538	7.9
109.10172	19.2
111.08076	2.9
111.11765	1.4
115.05457	6.2
116.06250	2.2
117.07030	15.7
119.08591	68.7
121.06506	6.1
121.10160	42.3
122.07266	1.7
123.08088	15.2
123.11717	5.7
125.06039	2.7
128.06235	11.7
129.07036	17.3
130.07794	6.0
131.08583	29.6
133.06499	1.3
133.10147	32.0
135.08076	10.5
135.11708	9.7
137.09644	8.4
139.07552	1.5
139.11243	2.4
141.07011	10.0
142.07800	20.9
143.08574	34.9
144.09364	5.6
145.10146	42.6
147.08064	17.7
147.11703	12.7
149.09651	7.3
149.13406	1.9
151.07552	14.5
153.07028	4.7
154.07794	3.8
155.08580	14.3
156.09383	19.2
157.10150	47.6
158.10992	6.3
159.08095	4.6
159.11717	22.4
161.09685	5.8
161.13255	6.2
163.11177	7.7
165.07072	7.6
165.09145	28.8
166.07816	4.1
167.08612	10.6
167.10674	8.5
168.09396	7.7
169.10146	23.4
169.62898	1.4
170.10962	7.9
171.11720	29.7
172.12521	2.2
173.09729	2.2
173.13292	20.1
175.11278	3.0
175.14789	8.9
178.07825	2.9
179.08580	13.2
180.09369	4.7
181.10191	14.8
181.12245	5.2
182.10936	8.1
183.11720	26.5
184.12474	6.1
185.09642	2.0
185.13275	19.4
187.11241	1.7
187.14828	7.3
189.12816	5.4
189.16548	2.2
191.08542	1.8
191.10803	1.7
191.14323	7.5
192.09332	3.5
193.10159	15.8
194.10976	10.2
195.11731	21.7
196.12488	5.7
197.13263	18.4
199.14847	15.0
201.12843	1.9
201.16412	2.4
203.08652	2.7
203.14389	12.6
204.09395	1.6
205.10219	4.3
206.10999	5.9
207.11757	19.5
207.13814	6.9
208.12537	6.6
209.13304	27.1
209.15233	2.3
210.14055	3.7
211.14835	10.9
212.15707	1.7
213.12885	2.2
213.16400	5.6
216.09390	1.9
217.10193	3.8
217.15889	7.7
218.10916	2.9
219.11781	7.8
220.12567	6.1
221.13301	14.5
221.15439	55.3
222.14136	4.4
223.14828	14.2
224.15628	2.3
225.12749	1.6
225.16487	5.1
227.14426	3.6
227.18124	1.7
230.08780	1.5
230.10956	2.7
231.11755	5.4
231.17532	3.0
232.12521	3.7
233.13312	10.6
233.15430	3.4
234.14058	3.6
235.14908	8.7
236.15556	3.7
237.16502	6.7
239.17999	3.4
243.11588	1.4
243.17386	1.5
244.12457	1.6
245.13219	6.8
246.14101	4.1
247.14888	9.7
247.17123	3.1
248.15610	1.8
249.16447	8.0
250.17368	3.2
251.18103	5.9
253.19513	1.9
255.17473	1.8
257.13339	4.1
257.18961	6.8
258.14166	2.8
259.14874	4.4
260.15707	3.9
261.16412	8.2
263.18024	6.0
265.19504	7.9
269.19067	2.9
271.14783	2.4
271.20679	3.8
273.16449	3.8
274.16959	1.7
275.17944	11.7
277.19583	4.3
279.21274	2.2
281.19019	2.6
283.20563	14.8
285.16214	2.6
286.19431	2.7
287.17566	2.1
287.20270	4.2
289.19519	3.5
291.21100	2.4
295.20624	4.0
297.22150	5.2
298.17081	1.6
299.20337	2.6
301.19458	3.2
307.20566	2.5
313.19214	2.1
317.22656	2.1
331.24298	5.3
333.22342	1.9
335.23828	2.7
341.22629	1.6
349.25073	6.3
352.23889	2.3
359.24139	1.3
361.25262	2.8
365.24789	2.6
375.26953	5.8
394.26688	1.4
403.30179	6.1
431.27966	1.6
473.34082	2.0
491.35236	8.0
503.35388	4.7
547.39630	3.6
565.40503	22.5
583.41547	100.0
584.41980	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60685	0.5
64.65265	0.5
66.06570	0.5
71.53305	0.7
81.07039	1.2
91.05466	1.0
92.80711	0.5
93.07004	0.7
95.08604	0.7
105.06996	1.0
125.73496	0.5
149.09738	0.5
157.30193	0.5
179.09183	3.5
202.01648	0.5
229.33096	0.5
237.05667	0.7
237.08138	0.6
302.17285	100.0
358.14667	0.6
582.41321	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	14.1
56.22247	3.6
57.03437	9.1
57.07076	4.7
60.51917	3.6
67.05517	81.0
68.31992	3.7
69.07072	20.8
71.04995	18.5
71.08714	5.6
71.09090	6.5
75.83362	4.4
79.05495	38.0
81.03427	12.7
81.07072	41.1
83.04962	4.8
83.08624	9.4
91.05505	26.0
93.07051	46.6
95.04994	8.3
95.08622	34.9
105.07029	17.1
107.08593	19.0
109.10176	41.5
117.07009	5.1
118.18856	4.1
119.08599	21.2
121.10178	17.3
123.08099	4.6
131.08583	12.7
133.10127	11.8
135.11703	10.6
137.09656	8.0
145.10133	12.2
147.11693	8.4
150.50745	4.3
157.10228	5.2
173.11708	5.3
183.11658	6.7
193.12172	4.9
211.13313	6.6
221.15392	7.3
252.12912	4.1
258.03531	4.6
259.18335	4.1
267.15915	5.3
285.16907	5.1
287.18570	25.1
333.47031	5.3
335.25974	22.0
337.27335	14.9
352.23999	13.0
489.35849	100.0
547.40137	51.9
582.40570	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46771	2.8
55.05504	12.0
57.07071	7.9
67.05514	13.3
69.07085	14.9
69.56749	7.0
69.57139	17.7
79.05493	13.1
81.07072	26.2
82.38368	3.0
83.05010	3.7
83.08616	7.5
91.05484	28.0
93.07064	31.1
95.04971	42.2
95.08612	20.5
96.66998	3.2
97.06542	3.0
97.10184	3.1
103.05467	3.0
105.07043	47.9
107.08617	28.5
109.06533	12.1
109.10150	10.7
110.06004	5.3
115.05450	5.6
117.07019	16.0
119.08607	46.9
121.06507	5.9
121.10147	25.8
123.08089	17.1
123.11745	7.1
125.71435	3.3
128.06203	9.5
129.07027	14.6
130.07822	5.3
131.08583	29.2
132.09361	3.7
133.06534	4.6
133.10136	23.8
135.08046	14.9
135.11758	6.8
137.09605	5.5
138.10379	3.2
141.07021	6.6
142.07817	13.9
143.08560	47.3
144.09337	7.4
145.10136	47.7
147.08067	8.1
147.11690	10.2
149.09636	7.0
153.07010	4.6
155.08545	17.8
156.09338	14.5
157.10123	39.1
158.10899	6.9
159.08066	13.0
159.11716	18.5
160.08868	3.3
160.12396	2.9
161.09642	14.0
165.07066	5.7
166.07719	3.0
167.08594	9.1
167.10695	5.9
168.09352	9.4
169.10109	23.3
170.10907	5.7
171.08034	4.1
171.11655	21.2
173.09662	13.7
173.13295	11.3
175.11136	5.3
175.14789	3.1
177.09196	5.0
179.08556	7.1
181.10141	18.2
182.10953	8.6
183.11699	23.2
185.09590	5.6
185.13289	12.7
187.11215	9.4
187.14848	3.1
188.12093	3.5
189.12762	5.9
191.14279	8.5
192.09329	7.1
193.10167	12.2
194.10930	9.6
195.11702	23.1
196.12469	6.2
197.09660	4.0
197.13336	17.4
199.11194	8.0
199.14871	7.0
201.12791	4.0
203.14354	4.0
206.10707	3.5
207.11761	14.2
208.12439	8.2
209.13293	17.2
210.10410	2.9
210.14063	6.5
211.11194	11.2
211.14847	8.8
213.12769	5.5
215.14316	6.3
217.15936	3.5
219.11714	9.2
220.13087	10.6
221.13286	10.8
222.14124	7.1
223.11179	6.4
223.14847	13.6
225.12804	10.5
225.43376	3.4
226.13512	3.8
227.14313	13.7
227.74826	3.2
233.13240	10.6
233.15443	4.9
235.14900	6.7
237.12900	5.0
239.17992	4.3
243.11739	4.5
245.13281	8.6
246.13863	4.0
247.14877	5.8
253.16000	7.9
255.17328	4.6
259.14749	3.4
261.16464	6.4
263.14426	4.5
265.15866	8.1
269.18954	3.6
273.15964	5.2
273.18576	56.9
277.16150	3.6
284.15616	3.2
286.19409	8.3
289.15878	9.4
291.17459	4.5
291.20996	5.1
299.20126	19.3
300.29034	7.2
307.20789	3.9
311.20087	3.6
319.20557	7.5
325.21848	4.8
337.21667	20.1
351.23181	5.3
352.23984	100.0
365.24759	10.9
368.23666	4.0
376.24026	5.5
429.27695	5.0
434.28271	6.7
444.30353	42.3
445.31006	5.7
490.34509	18.2
490.40659	3.6
553.28717	3.3
582.40771	91.1
582.54138	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	581.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
57.03444	1.4
57.07070	2.9
63.44672	0.7
67.05501	1.8
67.23376	0.6
69.07065	1.0
71.08630	1.7
73.39877	0.7
79.05502	1.5
81.07059	3.5
83.08643	1.3
91.05486	0.8
93.07035	1.8
95.08633	3.6
97.10168	0.9
98.20705	1.2
99.95393	0.6
107.08611	0.8
109.10188	1.0
121.10128	1.3
135.11682	1.3
146.10503	1.0
147.11678	0.8
163.11171	1.3
225.11035	0.8
227.12735	1.3
251.12567	5.0
263.99796	0.8
269.13651	7.4
281.13635	0.8
283.15543	1.2
284.15967	0.9
307.15265	1.9
313.27390	2.4
320.39423	0.6
325.16370	3.1
337.27502	1.1
338.27872	1.6
407.27930	0.8
514.47260	0.7
546.38879	2.7
563.39252	8.1
581.40289	100.0
582.40442	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.9
57.07058	3.1
58.50716	0.9
67.05505	2.0
70.69390	1.4
70.69713	1.3
71.08637	1.1
81.07042	1.7
95.08616	1.5
105.07059	1.1
121.10187	1.1
157.78822	0.8
187.66356	0.9
251.12482	1.8
262.18149	2.7
269.13632	7.7
307.15277	1.3
313.27213	1.1
325.16296	3.3
342.13257	1.0
563.39264	3.4
581.40283	100.0
582.40161	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	582.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
56.19728	0.7
58.06604	0.9
70.06591	1.3
71.51737	1.1
71.52412	0.9
84.08134	1.3
89.01495	0.8
91.05489	1.3
92.41959	0.9
103.05499	0.9
105.06975	1.1
107.04913	1.3
107.86584	0.8
121.06489	1.0
123.04453	4.9
124.04765	0.8
127.03951	5.1
128.04269	1.3
131.04965	1.6
132.19591	0.8
134.06107	1.0
135.04402	1.6
136.04749	0.9
136.48990	0.8
137.06010	2.1
138.05103	1.1
139.03978	1.3
140.04243	1.0
146.06006	0.8
147.04398	4.2
149.05945	1.2
152.04762	1.3
161.05997	1.0
162.05592	0.9
163.03923	3.6
163.06259	0.8
164.07085	1.7
165.06993	0.9
167.07068	21.1
175.03880	2.1
177.05536	1.0
178.07808	1.8
179.08568	3.6
181.04944	2.7
181.06407	1.3
189.06990	4.4
195.08157	1.2
205.06490	3.8
206.07310	2.4
207.06325	1.4
207.08096	12.5
209.05891	1.1
210.06757	3.0
217.06480	3.6
219.08032	0.8
220.05211	2.8
221.06020	5.8
223.07597	3.0
224.08359	1.6
225.09195	1.2
230.59453	0.8
233.06010	1.4
233.08246	1.0
234.06741	9.5
234.09039	1.7
235.07574	24.0
235.09818	1.8
237.05499	2.8
238.06285	4.1
239.07150	1.9
245.05975	2.3
249.05466	3.9
250.06345	2.1
251.07043	4.8
251.09363	1.8
252.07825	6.2
253.08574	5.6
255.06631	1.9
261.05389	0.9
262.06274	32.2
262.08636	2.0
263.07053	25.5
264.07468	1.3
265.04935	7.3
265.07425	3.0
266.05780	6.3
267.06601	3.0
267.10144	2.1
269.07983	1.1
277.05051	2.3
278.05688	1.1
278.08340	1.2
279.06488	6.3
279.08936	1.3
280.07272	7.9
280.09793	3.5
281.08099	15.1
282.08752	2.2
283.05978	3.6
287.05499	2.7
288.05905	4.1
289.07028	0.9
290.05692	7.8
291.06607	4.8
293.04288	1.0
294.05124	2.5
294.08038	4.2
295.06000	3.2
295.09650	4.1
297.07608	2.0
298.08368	3.2
307.08432	3.6
308.06552	13.4
308.09781	1.8
309.07449	10.1
310.07489	2.7
311.05365	1.9
313.10715	17.1
323.09140	30.5
324.08792	2.4
325.09653	3.9
326.07819	7.0
329.10257	1.5
330.13379	4.2
340.11847	26.5
341.10229	64.5
342.10284	1.0
358.12888	100.0
381.08118	1.8
538.18341	1.0
563.16724	0.9
564.17279	5.4
582.18262	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47941	0.6
53.03933	2.7
53.98762	0.6
54.98906	0.6
55.01863	1.8
55.05494	2.4
57.03416	1.0
60.04510	0.9
61.02907	2.1
64.52428	0.6
65.03928	1.5
66.06976	0.6
67.05487	1.2
68.99772	0.9
69.03141	0.7
69.03432	7.3
69.07030	0.8
70.06144	2.8
70.06551	0.7
70.86501	0.6
71.04990	1.1
72.08150	1.6
79.05466	2.9
81.03435	7.4
81.07034	2.2
83.04987	1.4
83.08624	1.2
85.02431	0.9
85.02913	13.0
87.00851	0.8
88.83356	0.6
91.05460	2.4
92.02641	0.7
93.03374	1.3
93.07009	2.0
93.10291	0.6
95.04945	2.8
95.08597	1.2
96.02131	0.8
97.02898	6.6
97.06516	1.1
99.04450	1.4
100.07623	1.5
100.11229	2.8
103.05461	2.1
105.07013	2.2
107.04927	2.1
107.08575	1.7
109.02899	3.2
109.06518	1.1
109.10162	1.6
111.04443	5.8
112.07558	0.7
115.05444	2.7
117.07024	1.7
119.04910	1.6
119.08533	0.6
121.02842	2.2
121.06579	1.2
122.03648	1.7
123.04430	3.5
126.37783	0.7
127.03942	6.2
127.58319	0.7
128.06190	2.1
128.07066	2.1
129.07022	18.6
131.04948	5.3
131.08562	1.1
133.06429	1.8
133.10121	0.7
135.03429	1.3
135.04430	25.6
137.05986	4.5
139.03920	16.5
139.11119	1.0
140.04674	1.5
140.07019	0.9
143.04877	2.9
145.02841	1.2
145.04962	3.3
145.06508	3.4
147.04381	1.7
147.08052	0.8
149.02356	12.9
149.05948	1.1
151.03899	6.3
151.07460	0.6
153.01805	1.8
153.05408	1.1
155.04834	1.2
155.05971	1.6
155.07112	1.1
157.06512	11.7
159.04416	3.5
159.06557	0.7
160.07529	1.8
161.05991	5.1
163.03900	2.6
165.05463	1.8
167.07047	9.8
168.00513	1.3
169.01344	14.6
169.04897	1.2
171.04379	2.9
171.06544	23.7
173.04860	0.6
173.06013	6.7
175.03885	1.9
175.07585	1.3
177.05496	7.1
178.05609	0.8
181.04988	1.2
181.06467	1.3
182.02150	7.3
182.15408	4.4
183.06546	22.9
185.06021	3.3
187.07573	13.2
188.04662	1.4
189.05490	10.8
191.03354	1.5
191.07076	1.3
193.04959	1.0
193.08603	1.0
195.06476	1.0
197.04482	36.4
199.03844	1.1
199.05927	0.8
199.07639	4.4
200.03127	2.7
201.05482	20.6
203.07065	6.3
205.04851	1.0
206.05730	2.4
207.06485	1.6
210.14867	5.0
213.05408	1.3
216.04100	1.2
217.04910	2.9
217.08487	2.9
217.37627	0.8
219.02809	1.0
219.06491	5.4
221.08049	3.2
223.05920	1.0
231.06554	13.3
233.08037	2.0
234.05237	8.1
235.05841	0.9
237.07500	0.9
244.03674	1.2
245.04456	1.9
249.07605	32.9
262.04681	1.8
263.06982	0.9
267.08716	0.9
273.03845	2.1
278.05725	0.7
279.05859	0.9
279.08673	13.0
279.13562	1.2
287.05493	1.2
289.03299	1.5
289.06122	0.8
290.04120	2.3
291.06436	2.4
297.09802	1.6
297.14883	5.2
301.03311	2.9
306.05072	0.9
307.05807	0.8
315.04977	2.4
315.15805	3.0
316.05597	2.2
317.05643	1.9
318.03775	12.5
323.09131	1.2
325.10529	0.8
331.08182	8.2
332.08521	8.7
333.05927	100.0
337.21075	2.3
339.08493	1.4
341.10226	1.3
350.07480	0.9
351.08713	1.0
353.10114	1.0
355.11758	1.3
371.11057	3.6
383.11285	3.2
401.12354	52.5
403.13660	1.2
419.13589	3.4
545.38361	0.8
563.37732	1.9
581.11414	11.1
581.39508	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	581.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.2
55.01881	0.3
55.05511	0.6
57.03451	0.3
58.06598	0.3
65.03938	0.5
67.05486	0.3
68.99804	0.4
69.03433	1.3
69.07081	0.2
69.25500	1.2
69.25910	0.3
70.06593	0.6
71.04988	0.2
72.08156	0.6
79.05492	0.6
81.03419	1.0
81.07063	0.6
83.04985	0.1
83.08589	0.2
84.04485	0.2
84.08156	0.3
85.02898	1.6
85.08503	0.2
86.09698	0.5
87.00830	0.4
89.03925	0.2
91.05476	0.5
92.02605	0.2
93.03423	1.1
93.07056	0.4
95.04967	0.3
95.08629	0.2
97.02884	0.8
98.20795	0.3
99.04449	0.3
100.11271	1.3
103.05473	0.1
105.01912	0.2
105.07034	0.4
107.04979	1.1
107.08566	0.2
109.02920	1.1
109.10149	0.3
110.07187	0.5
111.04504	0.3
115.05405	0.2
117.07095	0.2
119.04968	0.3
119.08553	0.3
121.02875	1.6
121.06505	0.2
121.10184	0.2
122.03621	0.2
123.04422	0.5
124.03957	0.2
125.02396	0.2
125.06017	0.3
127.03940	2.1
128.07057	0.2
129.07013	0.2
131.04951	0.2
133.02826	0.1
133.06454	0.1
133.10126	0.4
135.04469	0.3
137.02306	0.2
137.05963	0.4
139.07553	0.2
139.08620	0.2
142.02606	0.6
145.02884	0.4
145.04939	0.6
145.06467	0.2
147.04431	0.4
147.11697	0.2
149.02319	0.2
149.05959	0.4
149.09625	0.2
150.03177	0.2
151.03917	1.8
151.07545	0.5
153.01852	0.6
153.12773	0.2
155.03416	0.3
159.02927	0.3
160.07584	0.2
161.05997	0.5
163.03935	0.5
165.05482	1.2
167.03401	0.2
167.07057	2.5
168.00555	0.9
169.01343	10.4
171.04466	0.3
173.05954	0.3
175.03894	0.4
175.07542	0.2
177.05466	1.0
179.03387	0.2
181.01350	0.3
181.04991	1.0
182.15424	0.7
186.01619	0.7
187.07535	0.3
193.08586	0.2
199.03943	0.4
203.17987	0.3
205.08661	0.3
207.06529	0.3
209.08072	0.2
209.16515	0.4
210.14954	0.5
216.04271	0.4
217.05034	0.4
217.08658	0.9
219.10104	0.2
226.19249	0.2
227.03688	0.2
231.04895	0.2
233.04454	0.3
233.08047	0.3
234.05208	0.2
235.02470	0.2
235.09634	0.2
244.03758	1.1
245.04436	1.7
247.02428	0.5
247.09718	0.3
259.05978	0.3
261.03970	0.9
262.04645	1.4
268.08084	0.2
272.03189	0.4
273.04001	1.9
276.02640	0.4
277.07004	0.3
287.05536	0.6
289.03439	1.2
290.04251	2.9
292.07474	0.2
300.02667	0.5
301.03421	2.8
303.01202	0.2
314.13965	0.3
315.05032	0.4
317.06531	0.2
318.03726	10.9
319.07202	0.3
333.06070	100.0
334.06470	0.8
336.22794	0.3
351.12396	0.2
355.22171	0.2
371.15054	0.2
383.14865	0.2
401.16129	1.5
419.16791	0.2
495.11176	0.5
562.39697	0.5
580.40570	0.6
581.11420	2.4
581.20282	0.3
581.25226	0.3
581.40765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.3
54.32697	0.1
55.01873	0.5
57.03451	0.3
61.02945	0.3
65.03957	0.2
68.99821	0.4
69.03435	2.6
70.06641	0.1
71.04146	0.2
71.05011	0.3
73.02935	0.4
77.61992	0.1
78.39620	0.1
81.03423	2.1
81.03856	0.1
85.02910	3.6
87.00842	1.1
87.04524	0.1
91.03952	0.1
92.02658	0.3
93.03409	0.8
94.92384	0.1
97.02905	1.2
99.04477	0.9
103.03974	0.1
105.01895	1.0
107.05024	0.2
109.02882	2.3
115.59780	0.1
117.01915	0.2
121.02879	1.3
121.03591	0.1
122.03758	0.1
123.00816	0.1
123.04475	0.3
124.03956	0.1
127.00311	0.2
127.03925	4.4
129.01889	0.4
131.04999	0.1
135.04477	0.1
137.02345	0.1
137.06000	0.2
138.70636	0.1
142.02640	0.6
145.04988	1.3
147.02924	0.3
147.04416	0.2
149.02402	0.4
150.03130	0.2
151.03918	2.1
151.05116	0.1
153.01875	0.6
155.03435	0.3
159.02916	1.4
163.03929	0.3
167.07062	0.2
168.00575	1.4
169.01337	11.5
171.02979	0.1
171.04425	0.2
175.03908	0.2
177.04031	0.2
177.05511	0.2
181.01404	0.5
181.08691	0.1
185.00858	0.2
186.01631	0.4
188.04893	0.1
191.03529	0.2
192.04213	0.1
199.03911	0.5
203.03481	0.1
213.03967	0.2
216.04187	0.3
217.04968	0.6
219.02924	0.3
227.03517	0.2
231.04913	0.7
233.04497	0.5
234.05280	0.4
234.94890	0.1
235.02455	0.2
241.05095	0.1
244.03668	1.3
245.04460	2.1
247.02345	0.6
259.05984	0.2
260.03229	0.1
261.03961	1.0
262.04718	1.5
271.02545	0.1
272.03275	0.5
273.01248	0.1
273.03952	2.0
276.02719	0.3
277.07141	0.3
287.05606	0.6
289.03464	1.5
290.04257	3.1
300.02722	0.7
301.03458	2.8
302.04312	0.2
303.01410	0.1
303.04892	0.3
304.05835	0.1
314.14020	0.1
315.04953	0.5
316.05722	0.1
317.03043	0.3
318.03729	12.6
331.04483	0.8
332.05222	0.6
333.06058	100.0
334.06360	0.8
375.07169	0.6
495.11328	0.4
581.11469	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	581.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92833	0.1
55.01809	0.2
60.04486	0.6
65.03916	0.3
67.05482	0.3
68.99767	0.3
69.03394	0.5
69.42467	0.3
69.42875	0.7
70.06580	0.1
71.04949	0.2
72.08117	0.3
72.12485	0.1
79.05466	0.3
81.03371	0.6
81.03793	0.2
81.06979	0.1
82.18667	0.1
83.04969	0.2
85.02910	1.0
87.00780	0.5
87.04433	0.1
91.05457	0.3
92.02626	0.3
93.03397	0.9
93.07011	0.3
95.04958	0.2
95.08616	0.2
97.02898	1.2
99.04410	0.3
103.05503	0.2
105.01849	0.2
105.03310	0.2
105.07012	0.1
107.04920	0.3
109.02825	0.4
109.06508	0.2
119.04898	0.3
121.02869	1.5
121.10087	0.2
123.04388	0.5
127.03903	1.0
133.02791	0.2
134.06041	0.8
135.04376	0.4
135.79036	0.2
137.02380	0.2
137.05927	0.5
142.02556	0.6
145.04892	0.2
147.04358	0.5
149.02324	0.4
149.05907	0.2
150.03082	0.2
151.03922	2.1
151.05042	0.2
152.04308	0.2
153.01797	0.4
155.03360	0.3
161.05959	0.1
163.03893	0.3
167.03418	0.1
167.07042	3.9
168.00508	1.3
169.01328	12.2
171.04453	0.2
175.03871	0.2
175.07518	0.2
177.05463	0.2
181.01268	0.6
185.00848	0.1
186.01527	0.4
191.03394	0.1
193.08607	0.2
199.03877	0.4
207.06546	0.2
213.05544	0.1
216.04214	0.2
217.04929	0.6
219.02911	0.3
233.04425	0.6
234.05168	0.4
244.03690	1.7
245.04478	1.9
247.02347	0.5
259.05984	0.3
261.03928	0.6
262.04709	1.8
272.03326	0.4
273.03949	1.6
273.11252	0.3
276.02539	0.4
277.07028	0.3
287.05490	0.5
289.03427	1.3
290.04221	3.3
300.02731	0.4
301.03445	3.2
302.04318	0.3
303.01495	0.2
315.05032	0.3
315.27115	0.2
316.05469	0.2
317.02646	0.2
317.06009	0.2
318.03711	12.5
331.04544	0.2
331.08127	0.4
332.08530	0.3
332.27872	0.2
333.06046	100.0
334.06195	0.7
341.13742	0.2
419.19586	0.2
435.17245	0.1
537.12604	0.3
580.32996	0.2
581.11395	10.7
581.25549	0.3
581.33667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92833	0.1
55.01809	0.2
60.04486	0.6
65.03916	0.3
67.05482	0.3
68.99767	0.3
69.03394	0.5
69.42467	0.3
69.42875	0.7
70.06580	0.1
71.04949	0.2
72.08117	0.3
72.12485	0.1
79.05466	0.3
81.03371	0.6
81.03793	0.2
81.06979	0.1
82.18667	0.1
83.04969	0.2
85.02910	1.0
87.00780	0.5
87.04433	0.1
91.05457	0.3
92.02626	0.3
93.03397	0.9
93.07011	0.3
95.04958	0.2
95.08616	0.2
97.02898	1.2
99.04410	0.3
103.05503	0.2
105.01849	0.2
105.03310	0.2
105.07012	0.1
107.04920	0.3
109.02825	0.4
109.06508	0.2
119.04898	0.3
121.02869	1.5
121.10087	0.2
123.04388	0.5
127.03903	1.0
133.02791	0.2
134.06041	0.8
135.04376	0.4
135.79036	0.2
137.02380	0.2
137.05927	0.5
142.02556	0.6
145.04892	0.2
147.04358	0.5
149.02324	0.4
149.05907	0.2
150.03082	0.2
151.03922	2.1
151.05042	0.2
152.04308	0.2
153.01797	0.4
155.03360	0.3
161.05959	0.1
163.03893	0.3
167.03418	0.1
167.07042	3.9
168.00508	1.3
169.01328	12.2
171.04453	0.2
175.03871	0.2
175.07518	0.2
177.05463	0.2
181.01268	0.6
185.00848	0.1
186.01527	0.4
191.03394	0.1
193.08607	0.2
199.03877	0.4
207.06546	0.2
213.05544	0.1
216.04214	0.2
217.04929	0.6
219.02911	0.3
233.04425	0.6
234.05168	0.4
244.03690	1.7
245.04478	1.9
247.02347	0.5
259.05984	0.3
261.03928	0.6
262.04709	1.8
272.03326	0.4
273.03949	1.6
273.11252	0.3
276.02539	0.4
277.07028	0.3
287.05490	0.5
289.03427	1.3
290.04221	3.3
300.02731	0.4
301.03445	3.2
302.04318	0.3
303.01495	0.2
315.05032	0.3
315.27115	0.2
316.05469	0.2
317.02646	0.2
317.06009	0.2
318.03711	12.5
331.04544	0.2
331.08127	0.4
332.08530	0.3
332.27872	0.2
333.06046	100.0
334.06195	0.7
341.13742	0.2
419.19586	0.2
435.17245	0.1
537.12604	0.3
580.32996	0.2
581.11395	10.7
581.25549	0.3
581.33667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
54.68507	1.3
55.01868	4.3
55.05518	21.7
57.03445	11.9
57.07080	3.6
59.04950	1.3
59.12029	1.3
65.03932	3.1
67.05511	46.9
69.07071	22.0
70.58717	3.1
71.04990	3.4
71.08636	1.5
73.02921	1.9
79.05501	30.7
81.03416	2.6
81.07065	47.8
83.05000	3.7
83.08628	17.7
85.06554	2.4
91.05482	14.4
93.07053	43.5
95.04985	7.0
95.08615	55.1
97.02901	2.2
97.06542	6.0
97.10163	6.0
99.04472	4.8
105.07043	11.7
107.04971	7.7
107.08602	28.6
109.06523	2.7
109.10162	11.9
111.08072	1.9
113.05998	1.3
117.07005	10.7
119.08587	12.8
121.06513	5.4
121.10149	15.0
123.08035	1.8
123.11697	3.3
125.06013	2.0
125.09644	1.3
130.07826	2.1
131.08517	1.6
133.10120	4.5
135.08156	2.8
135.11702	44.6
135.40611	1.4
137.09508	1.6
137.13205	2.1
145.10133	25.5
147.11705	2.5
149.13350	1.4
163.11192	58.9
172.08571	1.4
181.12254	9.6
227.12799	80.3
252.55498	1.4
262.34525	1.4
263.23511	1.6
283.15417	81.1
289.93118	1.5
337.27399	100.0
530.39014	3.6
545.38434	78.7
551.50916	1.6
580.39813	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	580.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01875	2.3
55.05515	19.1
57.03440	14.8
61.95501	1.7
65.03943	4.6
67.05135	2.7
67.05504	45.8
69.03439	2.6
69.07076	14.4
69.20815	2.6
70.00527	4.3
70.00919	4.6
71.04990	4.1
76.65330	1.7
79.05493	42.9
80.05859	2.7
81.03423	40.7
81.07059	47.0
83.04992	7.5
83.08632	20.9
85.02921	16.6
85.06556	2.5
91.05492	28.8
93.07045	40.8
95.04982	17.8
95.08614	37.2
96.08982	2.1
97.06541	3.5
97.10190	3.3
105.07041	19.8
107.04967	4.1
107.08601	15.8
109.06424	2.0
109.10143	11.4
109.69017	2.3
111.08097	7.4
117.07025	7.4
119.08588	20.7
121.06569	2.3
121.10141	15.7
123.08061	2.1
123.11707	4.3
129.07033	6.5
131.08591	9.8
133.06552	2.2
133.10107	9.8
133.30206	1.8
135.11676	6.4
136.12077	3.3
142.07683	1.9
145.10118	4.7
147.08080	3.7
147.11679	10.1
149.09644	5.1
149.13171	2.7
157.10139	6.9
160.51071	2.0
163.11197	2.1
175.11247	10.3
193.12250	27.9
211.13289	42.9
227.12694	4.0
228.13179	3.0
261.22180	6.8
267.15903	7.3
284.15805	5.8
285.16986	37.1
287.46414	2.2
335.25839	86.4
336.26111	5.3
337.26538	5.4
354.40808	2.3
381.08994	2.3
382.55994	2.1
527.37445	7.4
545.38324	100.0
546.37482	2.6
580.39075	19.2
608.26093	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	580.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.0
55.01872	3.7
55.05511	15.7
57.03445	10.3
67.05186	1.8
67.05516	24.1
67.79360	1.6
69.03429	4.3
69.07059	5.6
71.03412	2.2
71.04981	4.9
78.56077	1.8
79.05505	24.1
81.03426	51.1
81.07067	22.8
83.04995	4.7
83.08628	16.9
84.08147	1.8
85.02926	2.0
85.06535	3.1
86.07779	1.6
91.05490	17.2
93.07050	15.6
95.04974	22.2
95.08600	10.0
97.02924	2.4
97.06519	12.3
97.10185	14.9
99.08140	2.2
103.05446	1.8
105.07037	12.9
107.04975	16.9
107.08599	11.9
109.02915	2.2
109.06541	17.4
109.10168	11.3
111.08115	5.0
115.05403	2.5
117.07030	5.9
119.08600	12.4
121.06506	10.6
121.10185	12.8
123.04417	3.5
123.08110	3.4
125.09627	10.8
127.03947	4.1
129.07024	6.5
131.08594	12.3
133.06522	3.6
133.10156	5.3
135.08076	5.8
135.11644	2.1
137.05966	1.9
139.11195	2.0
143.08545	3.6
145.06511	6.1
145.10141	5.5
147.08064	4.8
147.11650	8.1
149.09608	7.3
151.03918	5.2
153.09094	2.2
153.12697	1.8
155.08449	1.7
157.10112	5.3
159.08029	2.1
163.11244	4.8
173.09724	2.2
173.13219	2.3
175.11191	5.7
189.11246	4.1
191.14330	2.7
193.12256	14.4
211.13330	1.9
219.13795	9.1
227.12819	4.1
229.14388	7.0
233.15431	2.8
250.25647	1.7
255.13760	2.1
259.15390	5.5
267.15924	43.2
273.14893	5.2
293.17581	8.5
301.16437	2.1
311.12714	1.9
349.21591	6.1
357.24084	1.9
367.22714	13.3
383.24026	3.9
385.23770	26.7
403.24796	11.0
441.26334	8.6
459.27478	100.0
477.28528	83.3
491.29800	7.6
495.29382	5.1
509.31079	4.6
528.72119	2.0
580.35010	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	580.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.3
57.03440	6.0
57.07083	4.9
67.05507	39.0
69.07078	19.0
71.05013	2.7
71.08640	3.1
71.53539	3.0
79.05500	19.4
80.91254	2.2
81.07066	37.8
83.05018	3.3
83.08622	10.6
83.23669	2.1
91.05490	11.1
93.07055	22.5
95.04983	4.6
95.08614	46.6
97.06520	4.6
97.10176	2.4
105.07017	10.5
107.04991	4.6
107.08588	20.2
109.10177	13.6
117.07029	5.0
119.08608	11.0
121.06463	3.4
121.10157	7.9
123.11723	5.1
133.10138	7.1
135.08150	2.5
135.11685	25.9
137.13182	2.5
143.35287	2.1
145.10127	14.0
147.11700	4.2
163.11198	26.9
181.12245	6.1
194.76256	2.6
227.12781	42.0
283.15439	38.8
337.27405	100.0
378.89822	2.3
402.41794	2.3
545.30518	4.5
545.38428	64.9
562.38019	6.5
580.39069	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01872	10.6
55.05515	20.9
57.03442	16.2
61.02918	6.0
67.05509	74.4
69.03429	7.5
69.07079	50.9
70.06599	3.1
71.04990	4.2
71.52602	2.7
73.02898	4.8
79.05498	36.0
81.03410	16.8
81.07066	58.5
83.04977	6.1
83.08621	15.0
85.02901	10.3
85.06534	5.1
91.03967	4.3
91.05489	36.6
93.07047	40.2
95.04977	9.7
95.08615	39.2
97.02906	8.6
97.06531	22.1
97.10185	5.4
103.03947	3.7
103.05521	3.6
105.07049	35.7
107.04949	10.6
107.08606	20.9
109.02837	5.1
109.06483	5.5
109.10168	32.6
111.04491	2.7
111.08102	5.1
112.02435	2.6
114.30868	2.3
117.07027	10.7
119.08578	23.6
121.06496	7.9
121.10147	15.5
123.04447	6.9
123.08071	4.4
123.11754	4.5
125.09628	10.7
127.03918	10.6
129.07030	4.9
131.08604	18.2
133.06485	2.4
133.10170	20.6
135.04501	3.0
135.08098	5.5
135.11687	9.0
137.09616	10.3
139.03888	5.0
145.10139	20.9
147.08089	3.7
147.11699	11.3
149.09619	20.1
149.13239	5.0
151.11177	3.0
157.10109	4.7
159.11740	16.5
161.13231	7.1
163.03897	2.7
163.11206	8.3
171.10211	11.8
171.11543	2.8
173.11758	12.7
173.13293	9.7
177.12782	4.3
179.14290	6.5
187.11230	4.3
193.12262	2.7
197.13258	2.6
229.14394	34.8
239.18024	4.3
243.16127	4.8
247.20541	4.7
253.17972	4.7
257.19070	8.0
275.20044	37.0
291.19629	4.9
293.21283	3.9
349.23767	100.0
367.24823	9.2
373.67065	2.7
383.24121	3.9
476.18207	2.7
477.27899	3.7
520.08081	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	580.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.8
55.01872	10.7
55.05510	21.5
57.03438	23.6
61.02924	8.6
65.03945	6.6
67.05509	57.7
69.03442	17.3
69.07079	65.2
71.04995	34.0
71.52493	3.8
73.02903	8.6
74.83314	2.9
74.96146	3.0
79.05497	52.6
81.03427	29.3
81.07063	60.5
83.04989	12.2
83.08617	12.7
85.02927	17.7
85.06561	7.5
91.03962	5.8
91.05494	39.6
92.05046	3.1
93.07059	54.6
95.04971	13.7
95.08624	31.4
97.02905	11.5
97.06540	100.0
97.10152	3.0
99.04452	6.3
99.08105	8.8
103.03980	3.1
105.07039	27.8
106.69047	3.2
107.04967	15.4
107.08614	27.9
109.02896	7.5
109.06528	25.5
109.10184	10.9
111.04433	3.8
111.08073	10.6
113.06020	3.8
115.05455	3.3
115.07584	52.6
117.07037	14.2
119.08559	17.4
121.06518	15.2
121.10118	15.8
123.04469	6.1
123.08067	8.7
125.09629	4.2
127.03915	12.6
127.07591	5.4
128.06262	3.2
129.07036	10.8
131.07077	4.7
131.08566	26.1
132.00533	3.1
133.06459	5.7
133.10147	26.8
135.04433	5.0
135.08057	13.9
135.11694	8.8
137.06027	3.2
137.09674	3.5
143.08606	7.6
145.05081	3.1
145.06419	4.7
145.10101	15.5
147.08035	10.4
147.11722	8.2
149.09616	9.8
149.13255	17.1
151.03992	15.3
151.07564	26.6
151.11166	5.4
157.10124	9.1
159.11694	20.7
161.05983	4.8
161.09706	5.9
163.11249	7.9
170.59402	3.0
171.11705	5.0
173.04434	5.7
173.09613	5.0
173.13235	3.4
175.07516	3.7
175.11208	5.5
177.12755	17.7
185.13266	6.3
188.08363	4.0
189.09148	16.7
195.13808	7.5
199.11171	3.6
199.14859	3.9
201.09117	29.5
202.09862	4.4
207.70448	2.9
217.15884	9.0
219.10233	11.3
219.13953	2.9
221.15392	4.5
231.10181	6.9
233.15404	20.8
237.16447	4.2
241.49590	2.9
249.11301	5.2
251.16359	3.2
255.15645	3.9
255.17714	5.4
269.17480	64.2
273.18530	43.2
291.19528	18.2
297.16995	13.6
307.18967	4.9
323.18457	3.6
324.09671	3.2
325.20300	4.8
339.12299	3.8
347.22134	20.0
351.12338	10.0
365.23282	61.1
369.13391	28.6
383.24261	30.9
389.18668	3.4
446.78717	3.1
527.29028	5.1
562.22144	4.0
580.23041	4.0
580.34253	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	580.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01873	0.4
55.05529	0.5
57.03504	0.2
61.45587	0.3
65.03944	0.4
67.05521	0.9
68.05048	0.3
68.99797	0.7
69.03418	0.5
70.06598	59.4
71.51870	0.5
79.05500	0.6
81.03426	1.1
82.06600	0.3
83.04987	1.5
84.04492	0.4
84.08145	0.5
85.02920	0.6
86.06052	0.3
86.09705	0.3
91.05490	0.4
95.04994	1.4
97.06560	0.5
107.04971	0.6
109.02904	0.3
111.00814	0.3
111.04436	1.4
113.60278	0.3
116.07101	100.0
116.18057	0.3
119.04981	0.3
121.02901	0.7
123.04441	5.1
124.04763	1.9
127.03929	12.3
128.04256	2.8
129.07091	0.6
131.04892	0.3
135.04428	3.8
136.04756	0.9
137.06044	0.3
139.03918	5.6
140.04257	2.1
141.06998	0.7
142.07788	0.3
147.04417	0.6
148.04755	0.5
149.02347	0.3
150.02742	0.3
151.03865	0.8
152.04239	0.4
152.06226	0.6
153.07007	0.5
153.96472	0.3
154.07759	0.4
157.06444	0.5
157.10022	0.4
158.07201	0.3
159.04427	0.3
161.05984	0.6
163.03944	3.5
164.04240	1.4
165.05458	0.5
167.03447	0.7
167.08612	1.7
169.06500	0.8
169.10153	1.2
173.05995	1.2
174.06552	0.4
175.03975	0.4
177.05466	0.5
177.89615	0.3
179.03407	0.6
181.06557	0.7
185.05966	0.9
185.09654	0.7
186.06766	1.7
187.03926	1.8
187.07558	1.8
188.04338	0.3
191.03416	0.9
192.03648	0.6
193.04950	0.3
193.12273	0.6
195.08052	1.9
197.06097	0.6
197.09618	2.0
198.06543	0.3
199.07483	0.7
200.08133	0.4
201.05502	1.2
201.09074	0.7
203.03444	0.6
205.04929	0.7
212.04649	0.3
213.05486	0.8
213.09128	2.9
215.07169	0.5
215.10704	7.7
217.12231	0.9
223.07564	0.5
229.05075	0.4
230.05397	0.3
234.04752	0.4
236.16380	0.4
241.08606	9.3
243.10197	12.6
245.04422	0.9
247.06017	1.1
248.06366	0.9
254.17479	0.8
257.04410	0.6
258.04782	0.7
259.05988	0.7
261.11221	1.9
267.15924	0.4
271.06012	1.3
272.06351	1.1
273.11115	0.7
275.05420	1.0
276.05759	0.9
281.12393	0.3
284.06308	0.6
285.16803	0.5
287.05640	1.6
287.08533	0.3
288.05789	1.5
289.07031	1.1
290.07437	1.0
291.08655	1.6
292.08966	1.2
300.06058	0.3
301.06827	0.5
302.07367	0.9
310.16739	0.3
328.21219	1.1
338.62177	0.3
356.20715	0.6
378.30255	0.3
382.21970	0.6
400.23178	0.9
409.09024	0.9
410.09531	2.1
412.10944	0.5
427.10440	0.3
428.10638	0.7
435.16299	1.0
436.11230	0.4
562.28290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86271	1.0
53.03963	1.2
55.01863	1.8
57.03452	1.4
57.03750	0.9
60.46552	0.9
61.02919	1.6
67.70307	0.9
69.03416	3.9
70.06607	2.0
70.96193	0.8
71.53063	1.3
72.08196	1.1
79.05495	3.6
81.03417	3.0
81.07056	2.5
84.08130	2.7
84.65166	0.9
84.69781	0.9
85.02911	10.2
86.09719	1.0
91.05480	3.1
91.28166	0.9
93.07062	2.6
94.04204	2.5
95.04980	1.4
95.08604	1.3
96.73687	0.9
97.02898	3.3
97.06537	4.0
103.05468	4.1
105.07043	17.8
107.04971	3.4
107.08569	1.5
108.58782	1.1
109.02861	1.3
109.06518	1.9
109.10152	1.3
114.86118	1.0
115.05467	5.3
116.07171	1.1
119.08590	2.4
121.02827	1.0
121.06513	1.6
122.03644	3.2
123.04401	1.7
125.06003	1.7
126.76362	1.0
127.03909	4.3
128.06194	2.7
129.07076	1.2
130.04131	1.6
131.04935	3.7
132.05634	1.0
133.06508	13.3
135.04439	1.7
137.05991	56.5
141.90047	0.9
143.06068	1.2
145.02855	1.2
145.04965	2.1
145.10168	1.3
146.03601	5.9
147.04405	1.7
147.11716	1.1
149.05978	1.6
151.03987	1.2
156.05653	1.1
157.06497	1.3
160.05171	1.3
161.05995	95.2
162.06805	1.6
168.05673	1.3
175.07608	2.0
177.05470	3.2
178.07822	1.9
179.08598	1.2
184.05229	2.3
187.07596	1.8
191.08539	4.1
192.09419	1.3
194.07257	1.5
199.07591	16.0
202.07782	9.5
203.08591	23.8
203.17863	1.4
205.06525	1.7
207.08057	2.4
209.09645	2.0
215.08633	1.5
218.07349	1.3
219.08104	10.5
220.08862	10.5
221.09633	1.3
222.06696	2.2
223.07588	1.7
230.07310	3.3
231.08080	39.9
232.08728	7.2
233.05989	2.3
233.09639	2.3
234.06763	4.0
235.07567	3.4
235.11278	1.9
236.08293	1.9
237.09181	4.9
239.28709	1.0
243.07950	1.2
245.09692	1.1
247.07605	10.7
248.08363	22.6
249.09109	4.6
250.06290	2.1
251.10655	2.1
258.06894	2.9
259.07550	33.1
260.08334	25.2
261.09164	2.7
262.09857	2.0
263.07556	2.0
263.10684	18.8
264.07837	2.6
265.08603	7.7
267.10120	1.2
275.07050	2.6
276.07779	17.4
277.08578	6.4
278.09399	1.7
279.10172	4.6
281.11777	2.8
289.43427	1.1
291.10178	98.3
292.10941	4.5
293.08112	2.7
295.09521	1.2
295.13205	1.2
307.09567	1.6
308.10382	2.7
309.11234	59.2
311.12845	3.1
323.12802	100.0
332.08685	1.1
341.13870	75.5
343.20462	1.0
353.13873	1.5
383.14725	1.3
435.14587	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.6
51.08122	1.4
53.03936	7.2
55.01862	6.2
55.05275	2.5
55.05518	37.7
57.03439	11.5
57.07063	3.7
65.03956	7.7
67.05511	100.0
69.03422	5.6
69.07077	25.6
71.04979	5.8
72.91739	1.5
73.02892	3.1
79.05501	56.1
80.27905	1.5
81.03426	24.6
81.07066	95.3
83.04987	50.6
83.08624	15.9
85.02901	3.5
85.06525	4.9
87.23111	1.9
91.05483	42.1
93.07052	65.3
95.04980	12.6
95.08614	75.8
97.02895	2.1
97.06540	8.2
97.10177	10.2
98.98474	20.3
99.04431	3.4
99.08090	3.2
103.05461	3.0
105.04497	2.7
105.07041	30.2
107.04967	8.3
107.08599	41.9
109.02867	6.6
109.06498	5.2
109.10160	45.3
110.03619	3.1
111.04453	24.7
111.08076	5.4
111.11713	2.0
113.06023	2.6
115.05458	8.2
116.06247	1.8
117.07018	15.1
119.04955	3.0
119.08589	23.7
121.06493	3.5
121.10153	42.4
122.03622	1.9
123.04430	4.6
123.08084	4.2
123.11714	17.8
125.09651	8.6
127.03900	5.4
128.06233	2.1
129.07030	8.3
131.04898	5.0
131.08582	27.9
133.06480	3.0
133.10155	24.2
135.04391	3.7
135.08124	3.1
135.11694	30.2
137.05980	43.3
137.09624	2.8
137.13237	7.1
139.03908	2.1
139.11174	7.4
141.06972	2.4
142.83344	1.7
143.04935	2.3
143.08569	3.6
145.06451	5.7
145.10141	21.0
147.04419	4.4
147.08051	2.4
147.11722	17.5
149.02327	3.7
149.09628	4.6
149.13266	16.3
151.03911	5.6
151.11139	1.9
151.14793	2.6
153.05489	3.9
153.12775	3.1
155.00107	1.6
155.01093	17.6
155.08490	3.3
157.06461	3.3
157.10127	6.0
159.04428	2.9
159.11723	18.5
160.05098	1.9
161.06000	5.5
161.13295	10.0
163.03854	2.3
163.07567	2.2
163.11220	8.2
163.14847	11.8
165.07001	2.2
165.12729	2.7
167.14447	1.8
169.10106	2.8
171.11673	6.1
173.05966	2.9
173.09550	1.9
173.11800	4.4
173.13272	16.1
175.07542	4.9
175.11185	3.5
175.14816	6.2
177.12682	2.2
177.16382	4.5
181.12233	2.3
183.11653	2.6
185.11734	2.1
185.13306	2.6
187.07524	2.4
187.14874	8.1
189.05449	3.1
189.11191	2.8
191.00171	2.1
191.10704	3.0
191.14272	2.3
193.12369	4.0
195.11734	3.0
201.05486	2.3
201.16373	2.1
205.08632	2.0
211.13326	4.8
217.14362	1.9
227.12769	4.7
229.04874	2.1
229.14374	9.7
233.22630	1.8
241.14282	1.9
243.21165	20.1
245.13782	8.3
245.22647	2.3
261.22162	79.3
263.23764	5.6
265.14551	2.5
267.15930	4.1
277.21716	4.1
279.23203	5.2
283.15390	4.3
285.17023	3.3
289.21579	3.1
293.08121	2.5
299.23575	2.4
301.16412	8.1
303.22855	2.6
317.06345	3.0
317.24796	3.2
321.07352	2.4
335.25827	27.8
337.27426	14.7
339.08511	2.5
353.26898	56.2
355.11813	2.3
433.31140	2.7
451.32120	3.0
469.33170	3.6
487.34296	3.0
489.35675	5.5
515.17035	4.4
525.35754	3.0
531.16260	2.3
543.16571	20.3
543.36890	19.8
561.17645	4.5
561.27350	4.9
561.37659	28.6
579.19189	17.7
579.27319	2.9
579.38995	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3876
Annotation	FD 891
Peak:m/z	Relative Intensity
55.05511	2.1
57.07063	1.6
66.12140	0.9
67.05509	2.5
69.07067	3.4
71.52612	0.9
74.84982	0.9
79.05499	1.9
81.07055	2.8
83.08623	1.7
91.05483	1.1
93.06997	2.0
95.08566	1.1
109.10173	1.0
119.08617	1.1
131.08617	1.1
151.77025	1.0
223.12367	0.9
246.77948	0.9
251.12538	2.4
258.42307	1.0
269.13641	9.9
293.13376	1.1
311.25531	1.1
325.16388	2.5
410.30981	1.1
439.23352	1.2
454.42551	0.9
561.37982	3.2
579.38708	100.0
580.38892	2.2
603.39923	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01869	0.4
55.05520	3.9
57.03437	1.2
57.07063	1.0
66.10937	0.3
67.05510	6.2
68.05840	1.0
69.07076	4.2
69.26429	3.5
70.06602	0.5
71.04979	0.7
71.08647	0.5
71.73750	0.4
79.05502	4.9
80.05838	0.7
81.03431	0.5
81.07066	5.6
82.07378	0.7
83.04997	1.0
83.08631	3.6
85.10210	0.5
91.05484	1.7
93.07059	5.4
94.07387	1.4
95.04996	1.0
95.08619	5.6
96.08944	1.1
97.02906	0.4
97.06556	0.9
97.10204	1.8
98.21555	0.8
105.07056	1.4
107.08605	3.7
108.08951	1.1
109.10177	1.5
110.10529	0.4
111.04456	0.4
111.11746	0.5
117.07002	0.9
119.08620	1.3
121.10163	2.8
122.10477	0.4
123.11706	0.4
125.72956	0.3
131.08591	0.7
133.10178	1.2
134.10577	0.4
135.11687	3.5
136.12064	1.3
145.10120	1.6
146.10451	0.4
155.15265	0.3
163.11194	3.3
164.11557	1.9
181.12369	0.5
203.96078	0.4
227.12842	4.5
228.13104	2.0
243.71704	0.4
251.12560	3.1
261.22211	0.5
269.13629	9.4
283.15457	3.2
284.15826	2.1
307.15265	1.0
311.25949	1.6
325.16299	2.7
335.25781	4.4
336.26190	8.8
440.11227	0.5
529.38538	0.6
535.35706	0.6
544.37201	7.4
561.37701	4.0
579.38721	100.0
580.39075	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.01860	9.3
55.05268	3.3
55.05514	35.9
55.38522	2.1
56.82201	2.1
57.03432	10.6
57.07078	5.5
65.03927	5.6
67.05506	81.3
69.03430	4.5
69.07072	18.1
70.83831	5.7
71.04989	5.4
71.08329	2.3
73.02892	2.7
79.05494	50.3
81.03420	36.3
81.07059	87.2
83.04494	5.2
83.04985	100.0
83.08617	11.6
85.02901	3.3
85.06592	2.3
91.05490	37.7
93.07046	63.4
95.04980	11.9
95.08614	61.9
97.06509	4.4
97.10157	8.8
98.98471	17.4
99.08115	3.0
105.07024	29.6
107.04962	5.1
107.08601	35.4
109.02892	10.2
109.06520	3.8
109.10162	37.2
110.03605	3.6
111.04451	45.3
111.08076	3.5
115.05438	7.5
116.06207	2.2
117.07024	13.3
119.04932	5.3
119.08583	22.6
121.02921	2.6
121.06509	2.8
121.10139	33.3
122.03641	6.1
123.04440	6.7
123.08076	2.7
123.11708	15.8
125.09625	5.2
127.03887	10.6
128.06221	3.3
129.06981	7.7
131.04922	8.8
131.08566	25.4
133.06497	5.6
133.10143	21.5
135.04410	2.6
135.11681	25.0
137.05989	86.3
137.09564	3.2
137.13283	4.3
139.03886	3.1
139.11174	3.2
142.40053	2.1
143.04933	5.9
143.08548	4.1
145.06476	7.5
145.10135	16.9
147.04413	3.6
147.08058	2.3
147.11703	12.9
149.02296	4.2
149.09645	4.3
149.13271	16.6
151.03899	5.1
151.11241	2.9
151.14798	2.9
153.05458	5.8
155.01057	20.6
157.06432	4.1
157.10129	4.2
159.04427	3.2
159.11705	14.8
161.05966	7.0
161.13260	10.0
163.03880	2.4
163.11130	4.2
163.14821	9.5
165.12720	3.8
171.04462	2.5
171.11716	3.5
173.06010	8.5
173.13264	13.1
175.03967	2.9
175.07570	6.3
175.11223	2.4
177.12744	2.2
177.16379	6.0
181.09854	2.1
185.13211	3.0
187.07536	4.1
187.14842	7.6
189.05458	4.8
189.09071	2.8
191.00179	2.9
201.05402	3.5
205.08478	2.4
211.13426	3.1
217.04951	3.1
227.12755	3.0
229.04938	4.1
229.14413	4.4
243.21133	22.4
245.13957	3.3
245.22621	3.4
261.19412	4.7
261.22153	77.3
277.08496	4.2
277.21695	3.4
279.23224	5.8
293.08194	2.1
301.16574	3.5
303.23105	3.5
315.23230	3.0
317.06158	3.2
317.24582	2.5
335.25891	21.9
337.27542	17.3
339.08658	5.5
353.26886	65.9
355.11743	5.3
389.27725	2.3
399.65216	2.8
451.21255	3.9
469.33133	2.8
487.34207	3.1
489.35471	2.8
515.16974	9.8
531.16449	4.4
543.16571	53.4
543.36621	10.1
561.17310	12.4
561.27191	8.7
561.37506	16.1
579.18896	29.6
579.38531	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	579.1716
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
52.51926	0.2
57.03436	0.3
57.21536	0.2
58.06590	0.6
68.40319	0.2
68.99821	0.3
69.03399	0.3
70.06588	0.4
71.05003	3.4
71.52524	0.3
71.88221	0.2
75.04471	0.2
79.05463	0.3
81.03407	0.3
81.07058	0.2
85.02437	0.3
85.02915	4.2
91.05459	0.4
93.07050	0.2
97.37820	0.2
100.41817	0.2
117.87460	0.2
119.04200	0.2
119.04939	1.1
121.02873	0.5
123.04422	0.5
127.03927	0.9
129.05487	1.0
135.04379	0.3
135.07968	0.2
139.03886	0.4
145.02844	0.5
147.04401	0.4
151.03906	0.5
153.01845	2.5
160.07614	0.5
163.03925	0.7
167.07057	0.5
171.02876	0.3
178.85138	0.2
181.04938	0.3
187.03964	0.2
197.83789	0.2
203.03290	0.2
207.06456	0.2
225.05574	0.2
229.04945	0.4
236.67816	0.2
247.06131	0.3
269.11078	0.2
271.06033	100.0
272.06564	0.3
273.07489	0.2
287.05505	0.4
289.07062	0.2
314.50775	0.3
321.32614	0.2
327.45840	0.2
331.08115	0.5
433.11356	18.6
579.20862	0.3
579.29675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72997	0.5
53.03947	0.8
53.80449	0.5
55.01860	1.3
65.03939	1.1
67.05515	1.2
68.99788	4.6
69.03430	1.2
70.96899	1.0
79.05493	0.7
81.03437	3.3
83.04993	0.7
84.08215	0.6
85.02898	0.7
95.04955	1.6
99.04462	1.3
105.03454	1.0
105.04541	0.5
107.04962	3.1
109.02874	4.1
111.00817	2.5
111.04443	2.5
119.04929	1.6
121.02863	2.7
123.04440	46.6
127.03928	100.0
129.06987	0.6
131.04907	1.5
135.04425	30.2
137.02330	3.1
137.06003	0.7
139.03914	53.2
141.06984	0.8
145.06531	0.5
147.04425	6.0
149.02348	4.7
149.06003	2.0
151.03925	9.2
157.06541	0.7
159.04436	3.3
160.07581	1.0
161.06030	3.3
163.03923	33.4
165.05467	6.4
167.03429	7.6
169.06485	1.2
173.05969	2.6
175.03896	4.4
176.83258	0.6
177.05507	4.2
179.03381	3.2
179.07008	0.6
181.04993	0.9
181.06438	0.9
183.04474	1.0
185.05963	1.2
187.03922	5.4
189.05470	3.0
191.03394	10.9
193.04977	2.5
197.06036	2.7
201.05478	6.4
203.03412	7.3
203.07092	1.6
205.04939	2.8
207.06554	2.0
213.05438	1.1
215.03558	1.2
215.07091	2.5
217.05005	2.0
223.07173	0.7
225.05400	0.8
229.04948	6.4
231.06595	1.3
233.04527	5.2
241.05023	0.7
243.06596	5.3
245.04483	6.1
247.06039	16.3
251.05632	1.2
253.05005	1.1
255.06590	1.8
257.04492	9.6
259.06036	8.8
260.06894	0.6
261.07623	0.7
269.04498	2.5
271.06033	19.0
273.07562	1.2
275.05496	14.4
275.08447	1.0
283.05997	5.4
285.07416	1.0
287.05508	18.2
289.07101	17.9
289.09750	0.5
291.08640	18.5
295.06247	0.6
299.05637	3.0
301.07092	13.8
303.08661	2.2
311.05511	0.6
391.08228	0.8
409.09222	21.5
411.10791	2.3
417.11816	1.2
421.09189	1.1
427.10306	6.9
435.11218	0.9
439.10477	1.2
446.79391	0.7
450.90161	0.7
453.12076	0.6
561.48248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
53.03930	0.9
55.01863	1.2
58.06597	1.5
65.03938	1.3
67.05495	1.9
68.99789	5.2
69.03418	1.4
69.64735	4.2
70.06590	2.1
71.04985	0.6
77.03923	1.3
79.05502	1.6
81.03422	3.4
82.06526	0.7
84.04477	0.7
84.08147	1.7
85.02911	2.0
86.09740	0.8
88.03960	0.7
89.03913	2.0
91.05489	2.1
93.03419	1.2
93.07022	0.9
95.04982	3.2
97.02882	1.3
99.04440	1.3
103.05457	1.2
105.03391	1.4
105.07035	1.0
107.04965	4.1
109.02888	3.9
111.00797	2.2
111.04450	2.1
115.05441	1.2
117.03387	1.5
119.04948	3.8
121.02869	8.3
123.04435	92.9
125.05972	0.6
127.03923	100.0
131.04944	3.4
133.06519	1.3
135.04420	35.0
136.04652	0.7
137.02345	3.6
137.05960	2.3
139.03909	38.1
141.07004	1.4
143.04930	1.8
145.02759	1.2
146.03278	1.0
146.05992	0.9
147.04414	14.2
149.02365	4.3
149.05997	2.9
151.03934	9.6
153.01895	1.1
153.05472	1.2
157.06538	0.9
159.04437	3.4
160.07552	3.5
161.05981	5.9
163.03911	47.8
164.04282	4.5
165.05476	7.6
167.03404	6.0
169.06512	2.0
173.06039	3.4
175.03917	3.2
175.07625	0.7
177.05504	3.9
177.10150	0.8
179.03387	4.5
179.07037	1.3
181.04964	3.1
181.06432	1.0
183.04466	1.0
185.06023	1.9
187.03871	6.4
187.07553	1.2
189.05402	3.3
191.03398	9.7
193.04984	6.3
197.05995	3.5
201.05453	5.7
202.08757	1.0
203.03391	9.6
203.07104	3.0
205.04965	3.5
207.06543	2.3
209.04434	1.2
213.05472	3.2
215.03413	2.7
215.07068	2.9
217.05028	3.0
219.06520	1.7
223.06081	1.2
225.05525	2.0
229.04968	7.3
229.42352	0.6
231.06566	2.0
233.04520	2.7
241.04997	1.6
243.06551	4.7
245.04483	13.2
247.06041	17.7
249.07794	0.9
253.05070	1.6
254.10243	6.7
255.06522	3.3
255.10541	6.4
257.04480	16.4
258.05270	2.2
259.06055	5.4
267.06601	0.9
269.04532	2.8
271.06027	23.8
273.07660	1.9
275.05484	13.6
283.06036	7.5
285.07629	2.4
287.05502	38.2
289.07083	15.5
291.08658	15.3
299.05548	8.0
299.08615	0.9
301.07080	11.9
301.10284	1.2
303.08597	4.7
313.07217	1.9
315.08771	0.8
331.08380	1.4
333.09659	1.4
367.13525	0.7
373.13055	1.3
392.11588	1.1
399.10672	0.9
409.09210	35.8
411.10825	5.2
417.11829	6.6
421.04453	0.8
421.09415	2.9
427.10284	8.2
433.09814	0.8
435.10767	6.3
439.10294	6.1
453.11942	4.0
544.14594	0.8
561.13647	1.0
562.16437	0.9
579.19098	1.3
579.27972	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1502
Annotation	ent-Epicatechin-(4alpha->8)-ent-epicatechin
Peak:m/z	Relative Intensity
52.88830	0.5
55.01883	1.1
65.03947	0.6
67.01844	0.6
68.62079	0.5
68.99796	3.8
69.18438	5.7
69.18771	0.7
73.29850	0.6
77.03947	0.9
81.03428	3.6
83.04954	0.6
85.02942	0.6
89.03922	1.1
93.03460	0.7
94.42444	0.6
95.04969	1.5
97.02870	0.7
99.04466	0.9
103.05470	0.8
105.03365	0.9
107.04961	2.9
109.02913	2.6
111.00832	2.0
111.04470	1.5
115.05466	0.7
117.03412	0.9
119.04951	1.0
121.02868	1.7
123.03737	0.7
123.04439	33.2
127.03928	100.0
129.07103	0.5
131.04944	1.5
135.04427	26.9
137.02394	2.6
139.03914	37.8
141.07037	1.0
145.06577	0.7
147.04417	4.0
149.02382	4.1
149.06020	1.2
151.03909	8.0
155.04955	0.9
157.06482	0.9
159.04491	2.8
161.05991	2.0
163.03923	30.9
165.05519	4.9
167.03438	6.9
169.06520	1.7
173.06009	2.2
175.03918	3.3
177.05496	3.4
179.03455	3.0
181.04990	0.7
181.06464	1.1
183.04440	0.8
185.05991	1.5
187.03889	4.1
189.05493	1.9
191.03415	8.8
193.04996	2.9
197.05991	3.4
201.05478	5.9
203.03400	6.8
203.07025	1.6
205.05000	2.5
207.06575	0.8
213.05522	1.5
215.03448	1.8
215.07108	1.8
217.05038	1.6
225.05499	0.9
229.04935	5.9
231.06441	1.0
233.04469	4.8
241.04996	1.4
243.06552	5.1
245.04443	5.2
247.06052	11.9
247.08493	0.9
251.05412	1.1
253.04965	0.9
255.06474	1.1
257.04462	7.3
258.05206	0.7
259.06012	8.4
261.07611	0.7
269.04547	2.0
271.06055	17.5
273.07520	1.2
275.05542	13.4
283.06021	5.4
287.05527	16.8
289.07089	13.3
291.08661	12.1
295.62054	0.5
297.07779	0.8
299.05545	2.3
301.07092	11.1
303.08832	2.1
318.64053	0.6
409.09207	20.9
411.10855	2.3
421.09103	1.5
427.10220	5.8
439.10156	0.8
519.62244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1504
Annotation	ent-Epicatechin-(4alpha->8)-ent-epicatechin
Peak:m/z	Relative Intensity
50.07037	0.6
55.01864	1.6
63.66947	0.5
65.03972	0.7
67.01862	0.6
68.99796	5.4
69.54942	1.4
69.55347	2.7
79.05516	0.9
81.03413	3.1
83.04996	0.6
89.03886	0.5
93.03426	1.2
95.04970	1.3
97.02893	0.6
99.04472	1.1
103.05463	0.8
105.03359	0.8
107.04987	3.1
109.02880	3.1
111.00805	1.9
111.04451	1.9
115.05437	0.8
119.04923	1.1
121.02892	1.7
123.04440	41.0
127.03928	100.0
131.04990	1.3
135.04430	31.4
137.02339	2.6
137.05952	0.7
139.03917	48.7
141.06987	0.8
143.04947	1.5
145.06476	1.1
147.04414	7.4
149.02382	5.0
149.05998	1.7
151.03922	6.6
153.01833	0.6
153.06935	1.3
155.04930	0.8
157.06544	0.7
159.04416	2.7
160.98965	0.6
161.02310	0.6
161.06003	3.1
163.03912	34.3
165.05470	5.9
167.03421	8.2
169.06508	1.9
173.06012	3.1
175.03958	4.0
177.04254	0.5
177.05518	3.2
179.03432	2.4
181.05023	1.2
181.06433	0.7
183.04411	0.8
185.06009	1.5
187.03882	5.5
189.01840	0.7
189.05498	2.0
191.03387	9.5
193.05013	2.4
197.06023	3.5
201.05482	5.4
203.03407	7.3
203.07091	1.9
205.04987	3.1
207.06573	1.5
209.06007	0.6
213.05516	1.6
215.03439	1.6
215.07048	3.4
217.05013	1.3
219.02919	0.8
225.05489	1.6
229.04991	6.9
231.03043	0.9
231.06572	1.4
233.04482	6.0
241.04973	2.1
243.06485	4.3
245.04453	5.5
247.06046	15.4
251.05556	1.1
253.04918	1.1
255.06560	2.1
257.04489	8.8
258.05353	0.8
259.06003	7.4
261.04114	1.4
261.07425	0.6
269.04495	2.0
271.06042	19.1
273.07608	1.2
275.05521	15.4
283.06030	5.9
285.04053	0.7
285.07233	0.8
287.05511	20.4
289.07062	14.9
291.08664	17.5
299.05511	4.4
301.07095	13.3
303.08667	1.9
311.05521	0.7
315.08746	0.9
327.04883	0.7
374.38483	0.6
381.09723	0.6
393.09381	0.9
405.08453	1.0
409.03741	1.3
409.09210	24.5
411.10806	4.5
421.09296	1.8
427.10324	8.9
435.10907	0.7
439.10117	1.5
453.11160	1.0
468.29041	0.6
483.13400	0.9
561.17761	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1504
Annotation	ent-Epicatechin-(4alpha->8)-ent-epicatechin
Peak:m/z	Relative Intensity
51.02384	0.8
55.01868	1.9
58.06610	1.3
65.03942	1.6
67.05511	0.9
68.99792	4.6
69.03419	1.6
69.71054	1.6
69.71471	2.9
70.06589	1.6
72.08149	0.7
77.03944	1.0
81.03423	3.9
84.08157	1.7
85.02912	1.2
86.09727	0.8
89.03909	1.6
91.05489	2.8
93.03418	1.2
95.04961	2.9
97.02823	0.7
99.04474	1.2
103.05465	1.0
103.37971	0.7
105.03397	2.1
107.04949	3.7
109.02881	3.2
111.00845	2.1
111.04429	2.1
115.05466	1.1
115.71782	0.8
117.03419	1.4
119.04949	4.8
121.02888	7.4
121.06461	0.8
122.15797	0.7
123.04442	93.7
127.03933	100.0
131.04968	2.6
133.06537	0.9
135.04430	34.7
137.02364	3.1
137.05986	2.9
139.03918	37.8
141.07054	1.5
143.04887	1.3
145.02817	1.4
146.06026	0.9
147.04445	13.5
149.02377	4.6
149.05986	1.7
151.03934	7.0
153.05489	0.9
157.06497	1.0
159.04463	4.0
160.07616	3.1
161.05965	5.2
163.03922	44.7
164.04253	2.5
165.05481	9.6
167.03427	6.2
167.07080	1.1
169.05052	1.3
169.06526	2.8
173.06032	3.3
175.03925	4.3
175.07501	1.3
177.05498	5.2
179.03380	5.3
179.07118	1.1
181.04987	2.7
181.06540	1.7
183.04457	2.1
185.05925	2.3
187.03868	7.0
187.07477	0.9
189.05490	4.6
191.03398	10.6
191.07121	1.1
193.05014	6.5
197.06026	3.5
201.05486	6.6
203.03384	9.7
203.07045	3.5
205.04971	3.7
207.06613	2.7
213.05537	3.3
214.54266	0.7
215.03424	2.2
215.07045	3.4
217.04999	3.5
219.06682	0.8
225.05463	1.9
227.07092	1.2
229.04982	8.1
231.06680	1.3
233.04478	3.1
240.76718	0.8
241.04990	2.3
243.06563	5.9
245.04488	14.0
247.06044	19.1
253.05048	2.1
254.10207	5.1
255.06604	3.2
255.10623	4.6
257.04498	17.1
258.05240	1.7
259.06076	6.7
269.04419	3.5
271.06052	23.2
273.07541	1.3
275.05505	11.8
275.27548	0.8
283.06033	5.2
285.07559	1.9
287.05524	34.1
289.07077	15.0
291.08636	13.5
299.05515	7.4
301.07123	9.1
303.08649	4.8
313.07016	2.1
315.08752	0.7
333.09698	1.6
337.92999	0.8
357.10150	0.9
373.12857	1.6
409.09219	36.7
411.10733	4.9
417.12003	7.0
421.09164	1.8
427.10315	9.5
435.10861	6.1
439.10287	5.4
453.11826	3.0
561.13953	1.2
562.15887	1.1
579.17377	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1496
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
50.11781	0.9
51.02372	1.6
53.03945	1.1
55.01869	2.1
58.06596	3.1
59.15727	0.9
61.98555	0.9
65.03930	1.1
67.05493	1.3
68.99789	4.2
70.06593	1.5
71.53197	1.4
72.08153	1.2
79.05480	1.4
81.03439	1.9
84.18297	0.9
85.02906	2.4
86.09717	1.1
91.05471	2.1
93.03383	1.7
95.04953	2.9
97.02877	1.4
99.04467	1.0
105.03406	1.9
105.04491	1.0
107.04955	4.1
109.02886	3.2
111.00835	2.1
111.04453	2.7
111.09706	1.1
111.16476	1.0
115.05438	1.8
119.04940	5.0
121.02898	2.0
121.06516	1.0
123.04436	100.0
127.03925	74.1
127.04667	0.7
131.04883	1.6
135.03400	1.8
135.04416	27.4
137.02333	3.3
137.06039	1.1
139.03914	34.1
143.04890	1.2
144.54152	0.9
145.02908	1.1
145.06464	1.4
147.04424	15.5
149.02319	2.7
149.06030	1.5
151.03931	6.6
159.04381	3.0
161.06001	4.6
163.03912	35.2
165.05490	8.0
167.03392	3.8
167.07011	4.2
169.06470	1.8
173.05939	4.1
175.03932	5.0
175.11179	1.8
177.05470	5.0
179.03410	5.2
179.07074	1.4
181.04964	4.3
181.06476	1.2
185.06000	1.3
187.03818	5.2
189.05516	3.0
191.03381	8.5
193.04987	6.9
197.05946	3.0
201.05434	5.9
203.03345	11.2
203.07085	1.8
205.04990	2.8
207.06592	3.1
210.11273	1.4
213.05437	3.1
215.03426	1.6
215.07072	1.8
217.04962	3.4
219.13814	1.6
220.14111	1.8
229.04980	5.9
231.06512	2.5
233.04510	2.2
241.04984	3.4
243.06531	4.6
245.04428	14.1
247.06038	18.3
253.04893	1.2
255.06520	2.3
257.04462	17.7
258.05255	3.7
259.05994	3.9
264.45502	1.1
269.04416	3.4
271.06027	20.4
273.07611	2.5
275.05521	13.5
283.06058	7.4
285.07520	3.2
287.05499	36.4
289.07108	9.3
291.08630	15.6
299.05533	10.3
301.07071	8.8
303.05084	1.6
303.08618	3.2
313.06726	2.1
333.09671	1.1
338.00159	1.0
391.08252	1.3
409.03702	1.8
409.09207	37.9
411.10690	1.8
421.09317	2.3
427.10428	5.9
433.09158	1.4
435.10748	6.1
436.80359	1.0
439.10236	6.6
453.11752	1.9
579.21082	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01877	1.4
57.03437	0.9
57.74605	0.2
61.02923	0.9
61.39374	0.1
64.79363	0.2
67.05524	1.0
68.83405	0.2
68.99791	0.7
69.03434	5.7
69.07051	0.2
69.17125	0.2
69.17529	1.4
70.06600	1.3
71.01328	0.2
71.05006	0.9
71.05345	0.2
72.08131	0.3
73.02924	1.4
73.42647	0.1
81.03423	7.3
81.07053	0.2
83.01312	0.2
84.07705	0.2
84.08145	2.1
85.02909	9.7
85.03979	0.5
85.08910	0.4
86.09710	5.0
87.00838	4.4
89.77274	0.2
91.03938	0.4
91.05448	0.4
91.99692	0.2
93.07033	0.2
95.04965	1.4
97.02901	3.2
98.20667	0.3
99.04462	2.5
105.01870	2.3
105.07000	0.2
107.04944	0.2
108.05720	0.2
109.02885	5.4
112.07581	0.3
113.10778	0.8
115.03951	0.1
117.01880	1.1
118.04116	0.2
119.04917	0.4
121.06524	1.1
122.02718	0.3
123.04441	0.3
127.03925	7.9
128.10730	1.9
129.01830	0.7
131.04898	0.2
132.08025	0.2
132.10193	0.3
134.05945	0.3
135.04402	0.8
136.07565	0.2
139.00275	0.2
141.10239	2.0
145.02855	0.2
145.04971	2.3
145.06334	0.3
146.03577	0.5
147.02867	0.4
147.04358	0.6
148.05156	0.6
148.94600	0.2
156.04803	0.2
156.10168	0.3
159.02898	3.4
160.07585	0.8
168.00517	0.5
169.01277	0.7
169.09769	0.2
171.02939	0.3
171.04361	0.3
172.05096	0.2
177.03963	0.2
177.05577	0.2
180.13817	0.4
181.04961	0.3
183.02901	0.2
186.01579	0.3
187.10762	0.6
189.05428	0.5
189.09166	1.0
197.16443	0.2
202.05212	0.3
202.12299	1.0
206.07993	0.2
213.03868	0.2
218.05682	0.2
219.14903	0.3
220.13277	0.2
226.14407	1.0
227.03365	0.2
229.04924	0.3
231.04959	1.0
231.10158	0.6
242.05754	1.0
243.17029	1.6
245.04456	0.4
248.12891	1.0
256.03561	0.3
257.04449	2.2
265.15503	2.6
267.03113	0.2
267.16956	0.9
269.04431	0.2
270.05231	0.4
273.03955	0.7
285.03952	6.3
287.05490	0.8
288.06277	0.6
293.14963	0.6
301.03339	0.6
315.04993	3.5
316.05789	39.2
317.06384	0.5
331.08127	100.0
332.08377	0.7
373.09192	0.3
378.23907	0.3
380.25607	0.2
398.26550	0.3
424.24472	4.8
426.68091	0.2
448.24399	0.8
579.22791	0.2
579.33667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1352
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
53.03717	0.2
53.03946	1.2
55.01870	1.0
56.97031	0.2
57.03419	0.7
58.25322	0.2
61.02907	0.5
68.99773	0.6
69.03097	0.3
69.03436	4.4
69.15845	1.4
69.16256	0.4
71.04989	0.3
73.02898	0.8
77.83128	0.2
81.03429	5.5
85.02912	7.0
87.00839	3.1
91.03957	0.3
91.05460	0.2
97.02909	2.4
98.20793	0.4
99.04462	1.9
99.23943	0.2
100.86736	0.2
105.01884	2.1
109.02898	4.2
117.01838	0.7
121.06512	0.6
127.03930	5.3
129.01866	0.4
135.04401	0.8
139.03857	0.2
145.04994	1.7
145.06473	0.3
146.03641	0.3
147.02896	0.4
148.05180	0.5
155.01312	0.2
159.02910	2.5
167.06886	0.2
168.00525	0.2
169.01308	0.5
169.04892	0.3
177.05464	0.4
181.04935	0.2
182.47357	0.2
183.02936	1.1
231.04887	0.8
242.05711	1.1
245.04500	0.8
257.04523	1.4
259.05988	0.3
262.18167	0.2
273.03967	0.5
285.03967	4.5
287.05563	0.8
288.06281	0.8
301.03549	0.3
301.06976	0.2
315.04956	2.2
316.05811	23.6
331.08148	100.0
332.08572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.135
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
50.39862	0.1
51.16825	0.1
53.03948	0.6
55.01875	0.4
57.03428	0.6
60.19599	0.1
61.02937	0.5
67.05475	0.1
68.52066	0.1
68.99796	0.4
69.03435	3.4
69.36588	0.8
71.05000	0.3
73.02928	0.6
81.03423	2.9
83.01344	0.2
83.47440	0.1
85.02909	5.2
87.00845	1.5
87.04478	0.1
91.05460	0.2
97.02892	1.4
99.04469	1.2
101.02329	0.1
103.03944	0.3
105.01868	1.0
105.07012	0.1
107.04967	0.2
109.02889	2.6
115.03944	0.1
117.01859	0.1
118.04161	0.2
119.04981	0.2
121.06522	1.1
127.03926	4.2
129.01846	0.4
131.04987	0.1
133.02887	0.1
135.04430	1.8
137.02330	0.1
137.05896	0.1
139.00308	0.2
139.03917	0.4
145.04974	1.0
145.06451	0.2
146.03629	0.4
147.02916	0.2
147.04320	0.2
148.05193	0.5
149.02351	0.2
151.03925	0.1
153.01814	0.5
159.02873	1.1
161.06004	0.2
161.18712	0.1
167.03351	0.2
168.00575	0.4
169.01334	0.7
169.04971	0.4
171.02928	0.2
177.05380	0.2
181.01332	0.1
183.02901	1.3
185.05922	0.1
189.03952	0.1
195.02925	0.2
201.05392	0.1
213.03870	0.2
214.06149	0.2
217.04916	0.2
227.03397	0.2
228.04253	0.1
229.04967	0.3
231.04826	0.6
239.03377	0.1
242.05708	1.0
243.06471	0.3
245.04480	0.8
245.08255	0.2
256.03693	0.3
257.04492	1.8
258.69653	0.1
259.05933	0.2
260.06927	0.2
269.04474	0.3
270.05194	0.4
271.06061	0.2
273.03967	0.5
275.09058	0.2
285.03979	5.3
286.04837	0.2
287.05487	1.0
288.06400	1.0
299.05515	0.6
301.03381	0.4
301.07104	0.3
302.04520	0.1
313.07071	0.3
314.07806	0.1
315.05008	2.6
316.05792	25.9
317.06055	0.2
317.96533	0.1
329.06586	2.9
330.07239	0.2
331.08130	100.0
332.08542	0.7
345.19608	0.1
373.09186	1.2
491.16959	0.1
493.13483	0.3
508.17929	0.1
579.13281	0.4
579.21667	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	578.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
54.19018	0.7
55.01866	1.9
55.05264	1.2
55.05514	12.9
57.03436	8.9
57.07077	0.8
65.03931	1.1
67.05508	38.1
69.03424	1.5
69.07068	9.5
69.29937	7.7
70.06584	1.2
71.04987	2.0
73.02931	1.2
78.93260	0.8
79.05499	29.3
80.59962	0.9
81.03411	2.4
81.06596	1.8
81.07062	34.3
83.04967	2.5
83.08627	8.1
91.05479	13.0
93.07051	42.0
95.04960	5.1
95.08612	42.9
97.02895	1.9
97.06525	2.7
97.10188	1.9
99.04460	2.6
105.04548	0.8
105.07034	9.7
107.04991	4.3
107.08604	22.5
109.06493	1.7
109.10159	10.3
111.08086	1.7
117.07027	7.4
119.08591	11.3
121.06512	5.3
121.10150	16.6
123.11732	2.2
125.06007	1.9
131.08569	3.8
133.10126	4.0
135.11700	31.2
137.13306	1.2
139.07608	1.0
143.08646	1.0
145.10129	17.9
147.11707	3.2
149.13214	2.1
159.11690	1.9
161.13252	1.7
163.11194	34.7
163.14787	1.6
173.13303	1.3
181.12253	5.1
193.71761	1.0
209.47069	0.8
227.12799	50.2
243.21100	2.1
261.22263	4.4
283.15405	40.6
283.18576	2.1
317.24628	1.4
325.70755	1.0
335.25821	100.0
336.25903	1.7
365.36774	0.9
367.35663	1.8
474.94440	0.9
528.37103	2.2
543.36853	52.0
546.38428	1.4
579.38751	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	579.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84774	0.1
53.03929	0.1
55.05489	0.2
67.05482	0.1
68.99756	0.3
69.03429	0.5
70.43778	0.3
71.04956	0.1
72.08125	0.2
79.05470	0.2
81.03415	0.5
81.06992	0.1
82.68842	0.1
85.02909	0.8
85.06499	0.1
87.00819	0.2
91.05441	0.2
93.07027	0.1
95.04962	0.2
97.02853	0.4
99.04417	0.2
100.11236	0.2
105.01833	0.1
105.07004	0.2
107.04925	0.2
107.08586	0.1
109.02896	0.7
111.00757	0.1
111.04449	0.2
119.08543	0.1
121.02823	0.2
123.04366	0.3
127.03925	1.2
134.03580	0.1
134.06007	0.1
135.04398	0.2
136.66220	0.1
137.02359	0.6
137.05995	0.7
138.06715	0.4
139.03908	3.6
145.04932	0.3
145.10040	0.1
146.03627	0.7
147.04326	0.3
149.05898	0.2
151.03871	0.3
151.07513	0.3
153.01837	2.1
159.02867	0.3
162.03117	0.2
163.03888	0.3
163.07507	0.1
165.01862	1.1
165.05481	1.8
166.02602	0.1
167.06996	0.2
171.04433	0.1
177.05391	0.2
182.15382	0.2
183.02835	0.4
187.05933	0.1
191.07045	0.6
194.02112	0.6
201.05408	0.1
209.00865	0.2
210.14868	0.3
213.05516	0.2
215.07028	0.2
216.97144	0.1
219.06654	0.1
228.04179	0.1
229.04904	0.2
230.05711	0.2
241.05066	0.4
242.05823	0.5
243.06549	0.3
245.04301	0.2
247.06000	0.2
258.05206	0.2
259.06027	0.3
269.04480	1.1
270.05283	1.0
271.06027	1.5
272.06766	0.2
273.03925	0.2
275.09140	0.4
284.03308	0.2
285.04059	0.2
285.07520	0.1
286.04568	0.5
287.05508	5.9
288.06134	0.2
297.03961	1.2
298.01309	0.1
298.04712	2.3
299.05502	2.8
300.06238	0.9
301.03357	0.8
302.04221	0.8
302.07718	0.2
313.03357	0.1
315.04990	17.7
316.05759	2.6
331.08127	100.0
332.08484	0.7
373.09146	0.2
399.09717	0.1
493.13327	2.1
535.13965	0.2
535.38599	0.3
536.38812	0.2
543.37671	0.3
561.38678	0.1
579.13464	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	578.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.3
53.03940	2.8
55.01868	3.3
55.05276	1.3
55.05518	16.7
55.19154	1.3
57.03447	10.0
62.90493	1.2
65.03935	2.2
65.75672	1.2
67.05511	41.2
67.69580	1.1
69.03441	1.6
69.07077	10.7
70.98475	2.1
71.04988	3.0
79.05500	39.6
81.03410	1.9
81.07068	39.4
83.04972	4.2
83.08633	10.8
87.04300	1.0
91.05492	16.0
93.07053	51.4
93.07639	2.6
95.04969	6.2
95.08618	52.4
97.02905	2.8
97.06525	5.0
97.10195	2.0
99.04452	3.8
99.08064	1.3
105.07036	12.2
107.04964	7.7
107.08607	35.8
109.06542	1.6
109.10162	12.2
111.04497	1.5
117.07021	8.7
119.08595	11.5
121.06513	5.8
121.10143	19.0
121.91232	1.2
123.11716	1.7
125.06004	2.7
130.07797	2.3
131.08553	4.1
133.10173	5.8
135.11714	50.3
139.07532	1.9
143.08598	1.8
145.09065	2.1
145.10150	26.8
147.11682	2.1
149.13263	3.2
159.11760	1.9
161.13358	1.3
163.11198	56.7
173.13284	1.7
181.12250	9.7
227.12808	80.9
243.21017	1.2
261.22186	6.6
283.15430	78.0
317.24783	2.1
335.25824	100.0
543.36865	61.8
543.44098	1.0
543.45392	1.6
578.39355	1.9
609.87384	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.0
55.05505	22.7
67.05499	34.6
69.07067	30.4
70.06595	6.7
70.87849	6.5
72.08161	100.0
79.05497	41.4
79.40082	5.9
81.07059	71.0
82.01951	6.9
91.05491	37.8
93.07037	17.5
95.04889	7.0
95.08609	25.1
103.05453	6.8
105.07047	23.2
107.08607	7.7
109.06522	12.8
109.10154	18.3
116.07110	9.8
117.07013	13.5
119.08593	8.1
129.07022	10.8
131.08597	65.5
135.11700	8.7
137.05994	49.1
143.08566	12.1
145.10185	9.0
151.07523	18.5
155.08527	14.1
162.22403	7.9
163.07605	6.9
165.07001	7.9
167.08627	14.0
175.07579	12.9
183.08041	17.3
185.09689	7.5
187.07553	33.0
189.09146	9.5
191.10699	7.7
191.68150	6.5
195.08073	15.3
201.09190	21.2
203.10733	8.0
207.08176	9.0
207.11830	7.6
208.13310	33.6
209.09468	15.3
213.09201	14.9
215.10707	22.1
221.09618	13.6
225.09137	13.9
227.10634	31.1
235.11320	13.8
239.10736	15.6
241.12202	19.2
253.12257	11.7
255.13739	16.0
265.12286	13.9
267.13733	14.5
279.13681	8.2
283.13187	10.0
295.13327	13.0
307.16946	7.5
309.14926	7.6
327.55344	6.9
335.16388	9.4
347.16263	10.1
351.23102	8.1
354.20609	24.2
366.20535	9.5
389.22232	7.5
406.24149	13.4
418.23935	8.1
419.25525	8.7
424.24698	17.9
436.24637	12.1
490.33133	51.5
493.23138	9.8
516.80902	8.5
528.37292	8.6
542.36420	20.2
560.37299	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01878	5.0
55.05517	4.8
55.94686	0.5
57.07061	1.1
65.03938	1.9
67.05508	9.5
69.03423	1.5
69.07079	4.1
69.36594	0.6
70.06595	1.7
70.32676	2.3
71.01374	3.1
71.07366	1.7
71.75425	0.6
72.08163	40.0
74.15408	0.6
79.05505	27.1
81.03427	1.7
81.07068	58.0
84.08146	1.6
91.05495	19.9
93.03414	4.4
93.07063	8.4
95.04984	2.9
95.08611	5.5
103.05520	1.2
105.07040	3.9
107.04996	0.9
107.08585	4.2
109.05804	1.0
109.06530	20.8
109.10142	1.6
111.04430	0.8
115.05445	1.2
117.07021	2.0
119.04942	6.1
119.08591	2.1
122.03647	1.7
128.06209	1.4
129.06999	2.1
130.08629	1.6
131.04953	3.4
131.08562	1.8
133.06458	0.7
133.10138	1.4
137.05995	44.3
137.13257	2.8
138.04584	0.6
139.09911	2.0
139.44661	0.6
142.07730	1.0
143.08525	1.2
145.06494	1.4
145.10133	2.3
146.03659	1.1
147.08026	0.7
147.11694	2.6
150.09108	0.9
151.07527	2.3
155.07066	3.1
155.08543	0.6
157.06514	1.4
157.10143	1.5
160.05208	0.8
161.06018	1.5
163.07582	1.6
170.07381	0.7
173.09747	0.7
175.07541	3.5
175.11203	0.8
177.09097	1.1
179.13075	2.5
181.06450	0.9
183.08054	1.3
185.09656	2.2
187.07581	2.0
188.08380	0.9
189.09114	2.3
191.10709	0.8
195.08023	1.6
199.07529	0.9
200.08344	0.7
201.09198	2.2
203.10690	1.4
208.13350	100.0
209.09607	1.2
211.07562	1.0
213.09218	1.5
215.10654	1.2
217.12303	5.8
223.11118	0.9
225.09125	1.5
226.14406	21.3
227.10730	1.6
229.12270	1.3
233.09608	0.9
234.14954	1.7
239.10583	1.0
241.12286	1.6
242.13194	0.9
244.16969	1.1
245.17673	0.8
246.18579	7.6
251.10649	1.4
253.12309	0.9
264.19641	1.0
265.12274	0.8
267.13898	1.8
279.13757	1.3
281.15390	1.5
291.13947	0.6
297.18552	0.7
300.19617	1.0
307.16772	1.2
309.14691	0.9
335.16455	1.8
380.22498	0.9
406.23923	1.2
424.25015	8.1
542.36658	1.4
560.37097	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	578.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	3.3
52.26892	2.1
53.03959	15.5
55.01867	6.1
55.05516	31.7
57.03445	10.8
57.07075	5.0
59.05002	2.6
65.03931	5.7
67.05509	96.3
68.05844	3.0
69.03436	37.2
69.07069	30.0
70.06580	3.2
71.05009	11.3
71.05327	2.0
71.52171	4.5
72.08157	13.6
73.02944	2.8
79.05501	73.0
80.05840	2.5
81.03418	51.6
81.07062	100.0
82.07379	2.0
83.04993	14.0
83.08614	17.2
84.16615	1.9
85.02909	26.9
85.06541	5.3
86.91303	2.1
91.05487	59.6
93.07046	84.8
94.07381	4.0
95.04974	13.0
95.08616	73.1
97.02898	23.7
97.06545	9.4
97.10167	11.7
99.04463	8.6
99.08118	2.7
103.04019	3.4
103.05457	4.5
105.07038	47.7
106.07396	2.6
107.04957	5.7
107.08604	43.5
108.04508	4.3
108.08929	3.4
109.02870	13.8
109.06524	5.8
109.10167	34.1
111.04453	10.2
111.08054	5.3
115.05460	4.1
117.07026	27.0
119.08591	40.0
121.06508	44.3
121.10159	38.5
123.04414	4.0
123.08121	4.1
123.11726	12.1
125.09647	11.4
127.03915	14.9
128.06239	4.9
129.05505	4.9
129.07021	14.7
131.08582	35.1
132.08958	2.8
133.06526	3.4
133.10136	29.8
133.72496	2.2
135.08072	7.3
135.11697	26.5
137.05988	6.0
137.09628	4.6
137.13274	3.6
139.11201	3.3
141.07018	5.6
142.07828	3.4
143.08601	14.7
145.05043	2.5
145.06448	3.0
145.10143	26.4
146.10562	2.4
147.08049	4.3
147.11702	25.6
149.09651	8.3
149.13310	12.8
151.07614	4.1
151.11147	4.1
153.09129	2.3
155.08559	5.0
157.10172	10.6
159.08105	2.8
159.11703	24.2
161.09653	6.1
161.13284	15.2
163.11142	5.1
163.14893	4.7
165.12781	3.1
169.10172	7.5
171.08051	3.3
171.11676	11.7
173.09729	4.3
173.13290	21.3
175.11229	3.9
175.14879	5.5
177.12770	4.2
179.10651	2.5
179.14229	3.5
181.10139	3.4
183.08145	2.9
183.11755	8.8
185.13219	13.6
187.11269	4.4
187.14854	10.8
189.11151	4.2
189.12749	4.0
191.14357	2.7
193.12177	3.3
195.11726	4.8
197.13341	7.4
198.13705	2.7
199.11157	5.1
199.14813	6.6
201.12752	4.9
203.10744	2.8
203.14386	3.6
207.13847	3.3
209.13353	3.6
213.12733	3.7
213.16261	3.2
215.14449	3.2
219.13821	3.1
219.17474	5.1
225.12769	2.9
225.16534	3.8
227.12807	7.4
228.13139	3.8
231.13896	2.5
239.14394	2.7
241.19655	2.9
243.21118	4.1
247.09589	2.5
254.16241	2.4
259.20584	8.6
261.18600	2.5
261.22037	13.8
271.20529	4.0
273.22122	5.5
275.19861	3.9
275.23907	3.1
277.21677	9.4
279.23257	5.3
283.20410	2.7
285.22128	4.3
287.23480	2.7
289.18262	2.8
289.21692	6.6
291.23233	7.0
300.28723	2.4
301.21579	4.3
302.25504	2.9
303.23239	16.2
309.22287	2.8
315.23080	7.5
319.22778	4.4
327.23260	5.5
341.24854	10.9
345.24167	5.8
351.23059	14.9
359.25775	3.7
369.24188	31.1
387.25336	38.5
405.26416	27.4
423.27551	8.1
432.77762	2.4
454.34219	3.4
502.35962	2.8
510.36813	2.6
520.36975	8.4
528.37622	17.8
546.38837	18.4
560.39685	4.9
578.41083	13.3
603.25409	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	578.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	3.8
53.03950	13.7
55.01871	5.4
55.05522	22.4
57.03434	11.2
57.07063	2.7
59.81693	2.6
65.03957	3.6
67.05511	85.2
69.03439	41.9
69.07074	23.6
71.04981	10.1
73.02908	3.1
79.05505	64.0
81.03427	67.6
81.07069	100.0
83.04969	8.7
83.08641	12.7
85.02905	20.9
85.06580	3.6
91.05490	57.2
93.06481	5.6
93.07056	85.7
94.81800	2.8
95.04964	11.9
95.08616	68.6
97.02897	35.4
97.06549	6.1
97.10169	6.6
98.20684	3.8
99.04458	10.4
99.08108	3.1
103.03960	6.3
103.05486	3.0
105.04530	4.2
105.06406	3.9
105.07054	53.9
107.04987	5.4
107.08598	45.8
108.04485	5.4
109.02882	18.1
109.06513	9.1
109.10175	28.6
111.04436	11.8
111.08088	3.9
115.05432	4.6
115.48086	2.4
117.07021	24.6
119.08603	40.8
121.06528	28.8
121.09333	3.3
121.10163	40.4
123.04417	4.5
123.08089	6.8
123.11710	10.2
125.09669	3.8
125.34682	2.7
127.03913	16.6
128.06262	4.9
129.05511	3.7
129.07008	15.8
131.04895	3.3
131.08588	38.8
133.06526	4.6
133.10130	30.4
135.08064	5.8
135.11711	26.6
137.09637	6.0
137.13281	4.7
141.06979	5.3
142.07751	6.0
143.08560	12.1
145.04970	4.1
145.10150	27.3
146.98608	2.6
147.04427	3.1
147.08057	5.2
147.11700	20.2
149.09628	6.1
149.13277	17.5
149.78867	2.6
151.07584	2.9
153.07016	2.9
155.08557	7.1
157.10141	11.2
159.08043	4.4
159.11678	24.4
161.09598	9.4
161.13261	15.3
163.07637	2.7
163.11162	5.4
163.14798	6.2
165.09097	3.4
165.12828	4.9
167.08536	3.0
169.10126	7.4
171.08009	3.2
171.11731	11.2
173.09651	6.2
173.13306	16.0
175.11176	5.4
175.14801	4.6
177.12708	2.9
181.10091	3.9
183.08063	4.3
183.11694	4.9
185.09636	4.5
185.13284	13.2
187.11295	3.3
187.14822	6.2
195.11803	2.9
195.13745	2.7
197.13365	5.4
199.14877	5.2
201.12848	3.8
201.16537	3.8
203.14259	4.6
205.12392	2.9
211.15010	4.4
213.16437	2.8
217.15903	2.6
219.13771	4.5
219.17509	4.2
225.12740	2.9
225.16278	3.4
243.21095	6.2
253.19643	2.6
259.13489	3.2
259.20572	8.3
261.22223	21.4
273.22177	5.4
275.19965	2.8
275.23602	4.4
277.14282	4.6
277.21579	10.1
283.20483	2.8
289.21576	6.2
291.23108	8.1
301.21649	8.1
303.23203	19.7
315.23172	7.5
319.22635	6.6
323.23709	3.6
325.21924	3.0
327.23331	6.3
331.22247	2.6
341.24661	6.6
345.24222	5.7
351.23102	14.4
369.24319	37.0
387.20837	5.1
387.25348	40.9
405.26352	35.3
423.27426	9.2
518.47742	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	578.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.05513	1.7
65.03942	1.9
67.05505	4.0
68.99804	1.1
71.07375	1.1
71.53094	1.2
72.08159	6.7
77.88654	0.8
79.05497	18.1
81.03420	0.9
81.07065	5.8
83.04982	0.8
91.05486	10.0
93.07044	2.9
95.04973	3.1
95.08652	0.7
98.98522	0.9
104.10762	1.1
105.04484	0.9
105.07040	9.2
107.04958	2.1
107.08602	13.5
117.07018	2.3
119.04894	1.3
119.08569	2.4
121.02782	1.2
121.06495	0.9
129.07050	0.9
131.08580	2.6
133.06485	2.4
133.10143	2.2
135.04424	15.4
139.00270	1.7
139.09917	2.5
145.06502	1.0
145.10097	1.2
147.08038	1.7
147.11681	5.8
149.02347	15.5
149.03474	1.5
149.05991	1.9
149.13263	1.3
150.02684	5.4
157.06538	0.9
161.05997	10.3
175.11165	1.7
181.15866	0.7
185.06021	1.6
187.07481	2.3
189.05489	3.2
193.04971	9.1
194.05322	5.6
203.07072	1.1
213.05473	1.6
217.05011	2.9
231.06573	2.6
241.04924	1.2
246.18558	27.8
259.06055	1.1
264.19644	4.9
287.05499	22.7
298.66751	1.0
299.05618	2.2
313.06982	2.0
315.04996	100.0
316.05530	1.0
327.05264	1.5
327.08600	1.3
341.06604	6.0
351.08441	0.9
354.07245	1.9
355.08130	1.1
366.85565	0.9
367.07730	1.0
369.09802	7.7
393.09763	2.7
489.15323	7.0
560.22839	40.0
578.13977	10.7
578.22516	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.7
65.03951	2.9
68.99789	10.3
69.03393	0.8
69.56728	2.7
69.57156	2.8
70.06595	10.1
80.55800	0.8
81.03438	1.0
82.06586	1.9
84.08152	5.3
85.02901	3.3
86.09711	3.1
86.48571	0.8
91.05483	1.5
93.03416	2.6
93.06983	0.9
95.04984	2.5
97.02892	5.4
98.21452	1.6
103.05456	1.0
107.04985	7.2
107.05647	1.2
109.02874	1.9
109.06461	0.9
109.76862	0.8
111.04423	4.0
116.07100	16.6
117.07131	1.0
119.04978	1.3
120.08125	10.0
121.02879	100.0
121.06516	2.3
123.04479	5.7
124.04706	0.9
125.33187	0.8
127.03890	2.5
128.07129	4.5
129.10258	3.3
130.08694	1.4
131.04919	2.4
135.04433	11.9
137.05992	2.3
139.03912	25.2
143.11824	2.0
145.06485	1.2
147.04427	1.4
149.05984	5.1
151.03917	22.3
159.04434	3.2
161.02223	1.1
161.06114	0.8
163.03915	33.1
165.01862	4.7
165.05565	0.9
173.06020	1.0
175.03935	1.7
177.01846	3.9
177.05508	12.6
179.03352	2.2
181.04979	20.3
183.02962	1.0
186.18619	0.8
187.03967	1.4
189.01807	1.7
189.05524	1.7
191.03366	1.6
191.07039	2.2
193.04964	2.4
195.02956	3.7
201.01854	1.0
201.05511	4.7
203.03427	3.3
205.04987	27.5
207.02913	6.6
215.03407	1.7
217.04929	6.0
219.02928	5.8
219.06496	2.0
221.04602	0.9
223.06085	1.4
225.03906	2.1
227.03479	1.4
229.05008	3.0
231.02921	6.9
235.06009	7.1
243.03001	1.7
243.06572	0.9
245.04428	1.5
246.07892	1.0
247.06044	18.4
249.03931	1.6
255.02924	1.4
259.06088	1.1
261.03964	2.8
261.15796	1.0
265.07083	9.4
271.06180	1.5
273.03949	9.2
283.08215	3.4
289.07111	1.1
291.04965	3.9
292.08020	0.9
295.06039	17.9
301.07050	3.4
309.06158	1.0
313.07037	10.2
325.07047	3.1
335.09027	1.0
343.08231	11.2
367.08148	17.6
379.08215	7.8
391.08142	1.4
397.09225	14.6
406.11154	1.5
409.09192	11.9
424.12311	1.3
425.13818	1.0
427.10345	12.0
445.11319	54.3
446.11572	1.0
463.12378	49.3
542.16565	2.1
560.17712	8.9
578.33362	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	578.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14136	0.3
50.26331	0.5
53.03941	0.7
55.01866	1.1
58.06585	1.0
59.06924	0.3
65.03931	0.4
68.99784	0.8
69.03435	1.6
69.75597	0.7
69.76009	1.3
70.06596	0.9
71.04973	0.4
73.11144	0.3
79.05476	1.2
81.03430	3.9
82.06564	0.8
84.08144	3.7
85.02921	1.5
88.04001	4.1
89.03925	5.1
89.12149	0.4
91.05463	0.8
93.03394	0.7
93.07031	0.4
95.04987	0.6
97.02917	0.8
98.06053	0.3
98.20822	0.6
99.04427	0.6
100.07609	0.5
105.07020	0.6
107.04974	2.1
109.02873	1.3
111.00800	1.1
111.04453	0.5
117.03389	6.1
121.02876	6.5
123.04434	4.4
124.07596	2.2
127.03923	1.9
128.06221	0.6
128.07094	7.0
133.06546	0.6
135.03398	0.7
135.04434	13.6
139.03914	10.2
139.04846	0.2
145.01758	0.7
145.02861	9.1
145.03918	0.4
147.04433	0.5
149.05986	1.4
151.03912	4.2
151.07545	2.0
152.04308	0.7
153.05486	4.1
155.03413	1.3
160.07602	0.9
161.05992	2.7
163.03918	85.3
164.04289	0.6
166.08646	1.0
167.07086	0.7
177.05478	5.2
179.03320	0.5
179.07048	5.2
181.04991	1.0
192.10252	2.1
201.05560	0.4
205.04968	5.0
208.09717	8.6
210.11349	0.4
223.06038	6.5
223.15665	0.4
247.06110	0.8
254.10257	100.0
278.10229	0.4
283.06073	1.5
284.06454	1.6
287.05606	0.8
288.05753	0.4
296.11292	0.6
307.08167	3.2
310.08005	0.6
324.09561	0.4
325.09250	2.3
337.07053	0.5
338.07309	0.7
350.07007	0.4
362.12436	0.4
367.08124	0.5
368.08344	0.7
380.08524	0.6
382.38327	0.4
398.09589	0.6
398.14310	0.7
416.14246	1.2
478.83276	0.4
560.17590	1.5
578.18713	13.1
578.26141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.1
55.05523	23.1
57.07075	11.5
64.07513	2.8
65.03966	3.3
67.05141	2.6
67.05512	52.9
69.03444	3.4
69.07080	49.9
69.68661	14.0
71.05000	5.0
71.08657	5.5
79.05504	31.9
81.06593	5.1
81.07070	100.0
83.08636	16.0
85.06533	4.8
91.05477	27.6
93.07056	69.1
95.04969	3.8
95.08620	87.7
97.06550	4.8
97.10187	10.7
97.71351	2.5
102.10043	2.8
105.07047	46.7
107.08614	77.8
109.06535	3.3
109.10172	86.1
111.08100	4.4
111.11722	15.9
114.24176	2.9
117.06999	5.7
119.08604	49.6
121.10168	56.2
123.11722	34.0
125.09678	8.4
127.11239	11.6
129.07072	3.8
131.08595	14.0
133.10135	38.7
135.11705	41.2
137.09682	3.2
137.13260	9.3
139.11182	5.3
142.07831	3.7
143.08534	9.5
145.10129	26.3
147.11705	32.1
148.49834	2.9
149.13287	35.9
153.12798	3.2
157.10172	12.4
159.11729	27.1
161.13283	27.3
163.14796	15.7
169.10193	3.5
171.11746	7.3
173.13298	16.1
175.14867	21.8
177.16373	17.6
183.11751	5.2
185.13304	6.4
187.14853	13.4
189.12749	2.5
189.16415	11.0
191.18054	4.2
199.14929	9.1
201.16393	13.5
203.17979	10.6
213.16402	9.9
215.18024	11.9
217.19499	7.3
225.16362	3.3
227.17989	7.8
229.19597	7.7
234.24319	2.7
239.17761	2.7
239.97173	2.7
241.19540	5.3
243.21127	3.4
255.21225	5.0
257.22705	8.1
269.22607	4.7
271.24115	3.9
283.24252	3.8
297.25699	3.7
301.25513	4.5
311.27344	4.4
411.36496	3.2
541.47607	5.0
559.48767	32.7
577.50482	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.9
55.01868	7.0
55.05513	42.8
57.03439	11.7
61.23175	3.0
65.03950	5.2
67.05513	100.0
69.03429	3.9
69.07077	35.4
69.45518	19.5
71.05001	14.0
75.94176	3.3
79.05502	66.5
81.03435	24.9
81.07068	97.7
83.04980	9.5
83.08623	26.1
85.06548	8.2
91.05492	56.2
93.07050	74.9
93.07633	3.8
95.04964	16.6
95.08616	67.4
97.06540	13.5
97.10185	22.3
98.20762	6.0
99.08093	5.7
105.07043	56.4
107.04974	6.2
107.08610	41.9
109.06533	5.5
109.10173	32.0
111.08078	9.4
115.05499	3.6
117.07019	23.3
119.08591	47.8
120.82575	2.9
121.06516	5.2
121.10151	35.1
123.08094	9.1
123.11703	10.1
125.09645	13.7
129.06998	16.0
131.08578	44.0
133.10150	34.9
135.08070	7.9
135.11668	21.8
137.09674	4.7
141.06934	4.2
143.08565	15.2
145.10150	31.2
147.08060	4.6
147.11711	23.3
148.15932	2.8
149.09602	5.9
149.13269	13.4
155.08568	8.8
157.10135	20.4
159.11711	22.8
161.09587	3.4
161.13252	16.4
163.11249	6.7
163.14911	3.1
167.08644	3.4
169.10095	8.0
171.11722	12.0
173.11893	3.8
173.13284	12.0
175.11249	3.0
175.14836	8.9
179.14282	4.1
181.10115	3.5
183.11728	4.0
185.13324	9.1
187.14885	7.2
189.11299	9.1
189.16403	3.9
193.12238	10.8
195.11658	4.0
197.13243	8.6
199.14861	7.4
201.12617	3.3
201.16397	4.4
211.14832	4.9
213.16508	5.5
217.16145	3.0
221.15445	3.1
227.12769	23.2
259.20648	4.5
261.22116	10.6
267.15933	26.6
277.21765	5.3
285.21991	3.6
287.23752	3.4
289.21597	4.1
301.25241	12.1
327.23306	3.5
333.24426	4.3
335.25851	20.0
361.27454	3.7
363.25290	5.5
389.74118	3.2
417.31610	7.8
435.32648	19.2
453.33636	16.8
471.34750	8.0
488.29391	2.9
501.35703	3.3
509.36185	8.1
527.37360	91.3
545.30414	5.4
545.38403	76.7
545.46771	4.7
559.39209	11.3
577.41418	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	577.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74883	3.2
53.03950	10.9
55.01884	6.5
55.05520	39.6
57.03436	12.0
57.07077	8.4
59.05005	5.5
67.05515	83.4
69.03426	6.8
69.07074	31.1
69.37877	4.4
69.86645	15.0
71.05003	13.0
79.05070	5.2
79.05508	69.2
81.03422	28.8
81.07069	100.0
83.04983	9.5
83.08649	26.7
85.06535	9.2
87.04475	4.3
91.05486	64.5
93.07047	74.9
95.04977	15.1
95.08620	66.3
95.09187	7.5
97.06527	9.7
97.10195	19.3
97.31477	4.1
99.08090	6.1
105.07047	60.9
106.89693	3.8
107.04987	5.0
107.08624	43.3
109.06519	8.7
109.10178	39.4
111.08112	5.6
117.07040	20.8
119.08610	39.8
121.06487	6.1
121.10174	33.9
123.08088	8.3
123.11740	8.3
125.09634	11.6
129.07002	12.6
131.08606	36.5
133.10182	27.7
135.11760	20.6
137.09579	4.6
139.11133	5.0
143.08571	9.9
145.10136	36.4
147.11705	29.0
149.09686	5.7
149.13283	11.1
151.11209	5.2
154.08662	9.6
155.08730	6.2
157.10153	17.2
159.11691	24.0
161.09726	4.4
161.13318	13.9
169.10158	9.8
171.11719	11.8
173.13263	14.3
175.11256	5.6
175.14851	5.7
183.11719	5.3
185.13298	8.9
187.14822	7.2
189.11226	8.9
193.12201	7.4
195.11780	6.9
197.13213	6.4
199.14825	6.8
211.15099	4.4
227.12828	16.5
229.02812	4.0
239.16481	5.2
259.23926	3.9
261.22055	8.6
267.15967	29.1
289.21921	6.3
299.23932	5.1
301.25302	11.8
329.87619	4.3
335.25809	17.1
359.25922	5.3
363.25323	5.6
417.31454	8.7
435.32587	15.6
435.98175	4.4
436.37717	4.1
439.40741	4.8
453.33578	11.0
456.50940	5.1
462.89990	4.3
471.34656	11.6
509.36121	8.1
527.37451	86.6
545.38422	75.9
559.39618	16.4
577.41724	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	577.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82471	2.6
53.03940	8.0
55.01861	4.1
55.05513	18.6
57.03436	7.4
57.07066	13.4
61.02912	6.0
65.14703	2.9
67.05508	29.3
69.03432	30.7
69.06741	4.1
69.07075	55.8
69.26126	4.3
69.26530	22.1
70.06609	3.7
71.04993	4.5
73.02905	5.0
78.68389	2.6
79.05492	14.5
81.03410	14.8
81.06590	5.0
81.07064	100.0
83.08625	28.9
85.02437	5.1
85.02911	66.2
85.06532	7.3
87.00840	34.1
88.87463	3.0
91.05458	9.1
93.07047	25.1
95.08615	85.0
97.02901	22.8
97.06520	8.0
97.10188	18.1
98.21491	4.2
99.04437	9.6
99.08083	5.7
105.01884	43.8
105.07054	6.4
107.08628	28.1
109.02899	13.7
109.10174	50.1
111.04461	3.0
111.08102	5.4
111.11697	14.0
115.03937	5.3
119.08566	8.2
121.10141	18.2
123.04389	3.5
123.11714	32.3
123.54854	3.1
125.09577	4.7
125.13251	11.9
127.03071	5.3
127.03931	40.7
131.08647	3.4
133.10178	4.1
135.11710	11.3
137.13251	27.2
137.73543	3.2
143.08569	4.4
145.04971	14.8
147.11720	5.6
149.13271	33.5
151.14815	8.9
153.12804	3.4
157.06490	2.8
159.03029	3.7
159.11653	2.9
161.13295	3.2
163.14838	8.7
165.16383	6.7
167.14325	18.0
177.16386	4.2
179.17967	6.3
191.07059	5.5
219.04993	3.8
229.08762	3.9
231.05043	15.3
233.85558	2.8
249.06046	7.2
249.25734	3.0
275.27304	11.2
293.28381	24.4
379.50153	3.4
383.29422	3.2
401.30374	4.8
461.32779	3.7
487.29935	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	577.1346
Annotation	Dehydrodicatechin A
Peak:m/z	Relative Intensity
55.01864	1.2
61.91240	0.6
65.03921	0.9
67.05508	3.0
68.99796	2.9
69.03429	4.6
69.07032	0.7
70.06567	0.8
71.12459	1.1
77.03931	1.0
79.05506	1.0
81.03423	1.5
81.07045	0.7
84.08154	1.6
85.02924	1.0
86.09692	1.0
89.14558	0.6
91.05494	1.8
95.04965	4.2
97.02886	2.5
105.03376	1.0
105.07014	1.2
107.04976	4.3
109.02880	0.7
111.04478	3.3
115.05431	1.4
116.55093	0.6
118.40343	0.7
119.04960	3.5
119.37029	0.7
121.02883	1.2
123.04440	90.8
125.06003	2.5
127.03925	0.9
133.06532	0.9
135.04442	3.9
136.07518	0.7
139.03917	17.9
145.02817	0.9
147.04422	13.4
151.03917	80.5
152.66457	0.6
153.05476	10.5
161.03484	1.4
161.06000	1.8
163.03917	17.9
165.05502	12.5
165.06931	1.1
171.04417	2.6
173.06032	0.8
175.03900	0.7
177.05544	1.8
179.03424	1.7
181.04973	45.8
181.29219	0.7
189.05496	19.1
191.03441	0.8
199.03967	6.9
201.05521	1.2
213.05495	2.5
215.03407	8.1
217.04985	28.6
227.03424	9.1
229.04987	3.9
231.02914	0.7
239.03394	2.0
241.04968	3.5
243.02979	1.6
243.06581	1.3
245.04475	100.0
246.04951	0.8
247.06099	1.2
255.06593	0.8
257.04437	4.9
265.08911	0.7
269.04504	1.9
270.05325	1.8
283.06207	4.3
287.05414	3.3
293.08261	0.9
295.05869	1.2
313.07132	1.3
325.10645	0.7
335.66296	0.7
337.07330	1.0
350.02612	0.7
351.08667	1.8
361.07104	2.7
363.08676	0.9
367.08136	0.8
379.08203	6.7
397.09204	15.9
407.07785	2.8
409.08850	0.9
425.08707	64.5
439.10025	0.9
559.11407	1.1
577.13373	60.6
578.13086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
54.68037	0.3
55.01857	0.6
57.03411	0.7
58.06591	0.5
61.02919	1.3
69.03433	3.1
70.06551	0.2
71.04964	0.4
71.21051	0.4
73.02903	0.5
81.03439	1.5
81.77204	0.2
82.06569	0.7
84.08142	1.2
85.02912	4.8
86.75039	0.2
87.04445	0.4
88.03497	0.4
88.03994	6.0
91.03917	0.3
93.03403	0.3
95.04916	0.3
97.02908	3.3
109.02837	0.9
119.08538	0.3
121.02119	0.4
121.02876	4.0
121.06514	1.5
121.97344	0.2
123.08057	0.3
124.07625	1.9
125.41034	0.2
127.03921	1.2
128.06256	0.3
128.07094	2.9
130.48741	0.3
131.08556	0.5
135.04457	0.3
137.05981	8.8
145.04944	0.5
147.08069	1.5
149.05992	1.8
149.09622	0.4
151.07542	2.9
153.05472	1.7
159.08063	1.6
161.05992	5.9
161.63797	0.2
163.03909	0.3
165.09053	0.3
175.07553	5.7
177.09102	4.5
188.10715	0.4
188.85626	0.2
190.12245	0.8
202.67772	0.2
203.07053	3.7
206.11784	15.3
208.13315	0.6
221.08118	3.2
252.12321	100.0
253.12784	0.6
414.17618	34.2
415.18002	0.3
505.25589	0.3
576.22913	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	576.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17427	0.9
52.04106	0.9
53.03934	2.8
53.34027	1.0
55.01884	1.2
55.05518	6.6
57.03444	14.0
57.07083	30.2
59.70973	1.0
67.05516	13.3
69.03427	1.3
69.07071	8.5
69.15706	3.4
69.16131	7.6
71.04996	1.6
71.08636	23.6
79.05489	8.6
81.03424	56.0
81.07064	15.6
83.04969	3.3
83.08620	18.4
85.06519	1.3
85.10204	11.6
89.06024	3.0
91.05492	11.8
93.07052	7.5
94.84003	1.1
95.04971	15.5
95.08612	17.4
97.02901	1.5
97.06562	1.0
97.10159	4.1
105.07051	8.2
107.04993	5.1
107.08589	3.6
109.06556	1.3
109.10168	6.7
111.08100	3.7
111.40437	1.2
119.08595	7.9
121.06484	1.5
121.10162	4.7
123.08054	1.2
123.11688	3.0
126.87284	1.1
129.07004	6.4
131.08595	6.4
133.06541	2.2
133.10123	3.0
137.09653	1.4
137.13234	1.2
142.07736	2.5
145.10139	1.6
147.08043	1.3
147.11713	3.7
149.09607	3.0
157.10149	6.2
163.11156	1.5
165.12737	1.5
175.11189	7.6
193.12267	21.5
211.13310	2.0
239.23672	3.5
249.14951	1.2
257.24838	1.1
267.15939	100.0
313.27390	91.6
314.27606	1.3
362.34824	1.1
375.70779	1.1
425.55011	1.3
491.02814	1.1
505.38940	75.2
541.40057	1.2
545.59509	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90133	0.7
53.03949	1.4
55.05526	1.3
57.07074	1.4
57.36568	0.8
67.05508	1.6
69.07072	1.1
69.96951	3.9
72.08157	3.0
73.60189	0.9
79.05491	2.7
81.07056	1.9
83.04981	3.2
87.89133	1.1
89.97174	0.9
91.05493	1.8
92.02637	1.7
95.04985	2.8
95.08630	1.5
99.88843	0.8
105.04514	0.9
105.07050	0.9
107.04964	1.1
107.08609	0.9
111.04453	1.4
115.85128	0.9
119.04919	2.2
125.06072	2.0
125.99043	0.8
126.32929	1.0
135.04431	100.0
135.05469	3.3
136.42683	0.8
151.03876	2.0
159.08119	0.8
161.03195	0.9
181.10138	1.3
182.11824	2.4
200.13539	0.8
205.04785	1.0
245.60486	0.9
312.16898	1.0
313.15759	1.0
394.16452	1.1
396.17728	1.1
502.22565	1.0
530.21863	12.1
558.21503	14.4
558.30048	1.7
575.50085	2.7
576.50500	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3948
Annotation	Irumanolide I
Peak:m/z	Relative Intensity
53.03955	4.0
55.01880	3.7
55.05526	23.8
57.03432	7.1
57.07086	10.5
57.80387	3.9
67.05185	4.5
67.05519	56.2
69.03426	19.1
69.07079	19.6
69.49606	13.4
69.50018	11.0
70.06607	4.5
79.05515	34.6
81.03420	17.0
81.06593	6.7
81.07066	96.1
83.04971	5.5
83.08624	9.9
85.02910	21.1
87.04481	17.4
91.05492	34.5
93.07055	65.4
95.04987	6.2
95.08622	76.3
97.02910	11.8
97.06559	6.9
97.10165	4.3
99.04424	5.5
105.07043	63.0
107.08608	69.4
109.02919	10.3
109.10161	50.1
111.04485	10.2
117.07030	16.6
119.08601	39.1
121.10165	29.1
123.11736	17.1
127.03944	10.7
129.05563	5.5
129.07018	8.9
131.08582	37.7
133.10146	38.8
134.64584	3.8
135.11720	32.3
137.13275	11.6
141.07025	6.8
143.08575	26.7
145.04955	4.5
145.10153	48.3
147.11726	27.3
149.13281	14.4
155.08614	8.6
157.10149	25.8
159.11700	41.0
161.09605	3.9
161.13269	18.5
163.11163	8.2
163.14882	6.1
165.12801	4.4
169.10210	8.9
171.11734	16.6
173.13303	25.4
175.14865	9.1
183.11761	11.9
185.13330	8.1
187.14848	16.9
189.16364	8.4
197.13332	5.3
199.14867	14.4
201.16417	10.3
203.17998	6.3
209.13322	5.1
211.14917	6.7
213.16338	8.3
215.14549	4.8
215.17996	9.7
227.17979	5.3
229.19623	13.1
243.21091	7.4
261.14920	13.0
261.22336	4.6
285.22147	4.9
299.23804	5.7
325.25342	8.2
339.27054	4.3
346.28339	3.9
353.28549	5.7
393.31583	12.3
395.32898	22.0
413.34219	12.7
521.36237	11.4
539.37500	33.3
557.38519	71.2
575.39777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.6136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.05523	35.2
55.52872	2.4
57.07085	72.5
59.05001	2.2
62.80704	2.5
67.05517	62.6
68.05847	4.5
69.07080	64.5
70.51659	9.1
71.05019	11.7
71.08643	48.1
79.05506	11.8
81.07072	100.0
82.07383	5.9
83.08630	47.0
85.06536	3.4
85.10188	34.2
87.04463	9.7
91.05488	6.1
93.07060	10.8
95.08622	83.4
97.10182	33.0
99.11738	5.4
105.07022	3.2
107.03989	2.5
107.08590	4.5
109.09473	4.6
109.10171	56.9
111.11736	22.2
113.13324	3.6
119.08620	3.2
121.10160	3.3
123.11722	21.5
125.13264	10.2
131.08577	3.1
135.11729	4.1
137.13283	7.2
139.14789	5.1
151.14812	8.0
153.08965	2.5
165.16467	5.5
181.66864	2.2
283.26294	3.5
301.20135	4.8
302.20435	5.3
313.27469	6.4
314.27667	9.9
335.54562	2.4
481.39081	5.8
482.39343	49.2
508.40833	2.9
540.43518	25.6
557.60052	13.3
575.41992	3.9
575.49890	18.9
575.60944	7.2
583.89258	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	575.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.0
55.05516	0.8
57.03448	0.7
58.06606	0.7
67.05508	2.3
69.07080	4.3
70.06599	1.9
70.65341	0.8
70.65681	0.5
71.04991	0.3
72.08161	2.6
79.05504	1.6
81.03431	1.2
81.07064	1.0
83.04993	0.8
84.08152	8.6
85.08945	0.8
86.09712	100.0
91.05482	2.6
93.07059	0.6
95.04980	3.2
95.08654	0.5
97.06518	0.6
105.07058	1.5
107.05032	0.6
107.08630	0.4
108.02148	0.4
109.06577	0.5
109.10173	0.4
110.09666	0.5
112.07594	3.2
112.76787	0.3
113.10750	0.6
117.07059	0.8
119.04941	2.4
121.06554	0.5
123.04424	0.8
124.07587	0.8
129.07079	0.6
131.08615	0.8
134.49356	0.4
136.07574	2.5
137.05957	0.4
138.09180	0.4
141.10255	1.5
142.12285	18.2
145.06458	0.4
145.10121	0.9
146.06026	0.6
147.04439	1.1
151.03925	12.0
151.05074	1.2
152.04236	3.9
152.05275	0.4
152.10718	0.5
152.14441	0.8
159.08006	0.4
160.07608	1.7
161.09641	0.6
165.05528	1.4
169.06427	0.4
170.11769	5.0
174.12823	0.5
177.09108	0.5
180.13843	1.7
182.08162	2.8
182.11813	0.5
185.09644	0.7
189.05566	0.6
189.09125	8.4
189.10757	0.6
197.16516	3.5
199.11359	0.4
202.12280	13.9
203.29366	0.4
206.08170	0.6
208.13374	1.6
213.09030	0.9
219.14929	0.8
225.15981	5.8
230.11887	0.7
231.10172	9.8
244.17200	0.5
247.14299	0.4
248.12848	14.5
254.74643	0.4
258.11484	0.4
262.18091	0.5
265.15515	8.0
267.20798	0.4
275.13992	1.4
281.18631	11.0
281.21643	0.6
293.14984	1.7
295.16580	6.1
295.19766	0.3
315.05106	0.9
316.05826	0.5
333.14609	1.6
361.21283	8.1
366.27704	1.2
378.23819	3.3
388.22412	1.6
389.20694	2.6
394.27390	2.0
402.92426	0.4
406.23398	37.6
423.94308	0.4
434.23154	0.9
462.26114	1.5
470.28757	0.4
502.29037	0.4
547.21497	2.1
547.34937	0.4
557.35107	1.4
575.21082	1.9
575.34448	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
55.05503	3.0
57.07058	1.6
58.60647	1.1
63.48949	0.8
67.05511	8.7
67.09557	0.9
69.07072	9.5
70.69344	2.1
79.05486	2.8
81.03414	3.1
81.07067	10.9
83.04968	2.0
83.08626	2.3
90.04735	1.0
91.05483	6.4
93.07056	3.8
94.04188	1.2
95.08607	5.3
103.05475	2.2
105.07024	3.4
107.04955	6.1
107.08601	4.2
108.05740	2.8
109.06525	1.0
109.10165	15.8
115.05461	2.4
117.06989	2.2
119.08548	2.1
121.02882	1.2
121.06521	3.1
121.10174	2.0
122.03651	1.4
123.11707	3.0
123.71613	0.9
125.09650	3.0
128.06239	1.5
129.07004	1.9
131.04959	3.2
131.08548	2.3
135.04393	2.2
135.11719	2.1
136.05229	6.1
137.05971	21.6
137.13266	1.3
143.08542	1.4
145.06499	5.9
145.10095	1.9
146.07304	2.3
147.04398	1.0
147.08080	1.7
147.11671	1.3
149.05971	1.8
150.06738	1.1
151.03914	2.9
151.07555	100.0
155.08580	1.2
157.06497	3.0
157.10127	1.1
158.07300	3.4
159.08037	4.0
160.05194	2.3
160.08875	3.1
161.05934	2.3
161.09729	1.1
161.13213	1.1
162.06778	1.4
162.34445	0.8
163.07561	5.1
165.05476	17.7
165.06863	1.3
165.09140	3.4
171.08064	1.7
172.08839	3.1
173.06082	1.1
173.09642	2.5
174.06773	5.6
175.07590	8.1
177.09116	9.4
179.07016	2.4
179.08493	1.2
183.08047	1.2
186.06711	1.7
187.07573	4.0
188.08340	4.6
189.07431	1.4
189.09132	26.0
191.07062	2.1
191.10648	7.3
195.08105	1.9
197.06111	1.2
197.09625	1.2
200.08279	1.4
201.09171	10.2
203.06981	2.1
203.10669	9.5
205.08620	4.9
205.12236	6.1
209.09691	1.3
213.09096	2.4
215.10687	4.3
217.08656	2.4
217.12253	4.1
219.10181	19.1
219.13821	4.0
225.09151	2.0
225.12872	1.0
227.10674	2.6
229.12227	2.4
231.10147	6.0
231.13722	1.6
233.11749	2.1
237.12663	1.2
239.10658	2.4
241.12312	2.2
243.13832	2.7
245.11678	1.2
245.15382	1.3
249.11224	2.4
253.12091	1.6
255.13887	1.5
257.15445	1.3
269.11713	1.1
269.15405	1.6
271.13495	1.0
271.17014	2.0
287.16437	2.7
297.18762	1.0
307.16684	1.1
313.21683	1.3
329.16379	1.1
335.12650	1.4
336.84467	1.0
337.21573	1.4
341.63712	0.9
353.13959	1.6
353.73483	1.0
365.13831	1.8
367.15472	2.8
383.15192	1.2
385.16492	4.1
419.25848	1.1
489.26294	1.1
507.27414	12.5
557.32953	1.5
575.19073	1.2
575.33771	19.7
575.49023	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.3
55.05508	9.0
57.07072	3.1
59.00792	2.2
61.33252	2.8
65.03940	3.7
67.05515	20.6
69.03436	4.5
69.04546	6.1
69.07069	6.8
71.04996	4.1
71.52792	3.7
79.05511	17.7
81.03416	12.4
81.07069	21.0
83.04964	3.6
83.08620	4.7
85.02920	5.0
91.05501	17.8
93.07045	17.4
95.04977	4.3
95.08617	14.8
97.02895	5.9
97.06534	3.2
97.10184	2.6
99.08090	2.9
103.05450	3.6
105.07026	11.8
107.04960	7.5
107.08582	7.3
109.02898	4.0
109.10165	7.4
115.05476	25.8
116.06234	2.9
117.07021	15.2
119.08569	9.3
120.16821	2.9
121.06516	3.4
121.10160	9.3
125.02354	14.8
127.05434	3.2
128.06223	8.7
129.07016	16.5
131.04919	12.3
131.08586	10.5
133.06526	4.3
133.10117	3.8
135.04427	10.3
135.08034	3.7
135.11746	6.0
136.05188	3.6
137.06013	9.3
141.06996	9.3
143.04927	15.7
143.08557	7.3
143.85683	2.5
144.05699	9.0
145.06482	28.7
145.10136	5.7
146.07271	5.8
151.03928	9.0
151.07550	25.3
152.06256	3.2
155.03331	5.8
155.04941	3.3
155.08565	5.1
157.06520	28.7
157.10071	5.9
158.07303	10.5
159.04433	9.8
159.08070	11.1
159.11710	5.1
160.05251	7.3
160.08748	3.0
161.05995	9.7
162.06798	3.1
163.03943	2.7
165.05605	3.1
169.06461	5.6
169.10130	2.9
170.07385	4.1
171.04376	18.0
171.08072	10.7
171.11708	2.8
172.05191	3.9
172.08870	11.7
173.06003	84.4
173.13277	4.8
174.06767	12.9
175.03911	3.4
175.07535	25.8
176.08276	7.2
177.09151	9.7
178.07988	2.8
179.08524	4.2
181.06487	7.5
182.07298	4.8
183.08136	5.6
185.05991	26.6
185.09581	3.2
185.13200	2.9
186.06778	9.5
187.03932	3.5
187.07556	57.1
188.08357	16.6
189.05505	4.8
189.09125	70.0
191.08601	2.7
191.10670	7.6
194.07257	3.3
195.08078	7.5
196.08867	4.4
197.06012	17.5
198.06836	6.8
199.07558	13.5
200.08290	3.7
201.05484	6.9
201.09111	23.3
202.09915	11.3
203.07036	7.8
203.10683	25.2
205.06654	3.2
205.08582	7.4
207.08109	8.0
208.08745	5.0
209.06050	4.0
209.09518	4.2
210.06824	4.1
211.07550	11.5
212.08336	7.8
213.05533	5.3
213.09114	37.1
215.07019	12.2
215.10738	6.7
217.08585	18.4
218.07304	4.1
219.08075	8.4
219.10066	4.0
220.08833	4.0
221.06055	4.3
221.09660	3.7
223.07556	9.6
224.08369	11.1
225.05537	8.5
225.09103	10.7
226.09811	4.3
227.07088	7.4
227.10732	7.6
227.12764	3.5
228.07881	3.3
229.08659	6.3
231.06511	5.0
231.10193	11.2
233.08066	6.3
234.06754	4.3
235.07590	11.9
236.08253	5.4
237.05432	3.7
237.09109	8.0
238.09961	7.4
239.07022	3.7
239.10681	12.4
240.07834	4.0
241.08623	100.0
241.12334	4.7
242.09399	8.0
243.10210	11.6
247.07590	8.0
248.08264	13.3
249.05476	4.9
249.09122	7.4
250.09866	6.1
251.07089	8.2
251.10684	12.0
253.08664	6.5
253.12334	3.1
254.09534	6.2
255.10164	27.1
257.08035	3.6
257.11752	3.5
263.07047	11.0
263.10654	11.9
264.07776	9.0
265.08679	16.0
266.09430	6.7
267.10281	9.6
269.08078	10.6
269.11746	5.7
271.09686	4.4
275.07166	4.0
277.08624	9.7
278.09439	6.3
279.06897	5.4
279.10156	29.6
280.07272	3.7
280.10846	7.8
281.08298	2.9
281.11691	12.1
283.09747	7.3
289.08551	4.9
290.09451	3.0
291.06876	3.6
291.10062	17.0
293.08072	19.6
294.08795	6.7
295.09741	9.0
297.11282	10.2
299.23834	3.4
305.08044	5.1
306.08914	5.4
307.09705	27.9
308.10413	9.4
309.07813	4.0
309.11078	15.1
311.09222	4.8
313.10770	4.6
319.09772	6.1
320.10403	4.6
321.11261	7.1
323.09055	16.0
325.10806	10.5
327.12332	6.9
337.10605	11.3
339.08817	6.7
339.12238	6.4
341.10202	11.8
351.08572	3.9
353.10062	4.9
355.08057	4.0
355.11859	18.8
369.09726	9.1
421.14413	4.6
433.30780	3.6
439.15558	7.8
449.14069	15.4
451.15332	7.8
451.31656	3.3
461.13519	3.9
467.14923	33.8
469.16870	3.3
479.14978	11.1
481.16592	8.0
485.15967	31.3
491.14737	3.2
497.16031	16.3
499.17349	4.2
509.16159	18.2
515.17017	24.9
517.35272	5.6
525.35730	10.1
527.17114	30.3
543.36804	11.4
545.18176	7.6
557.17847	10.0
557.37915	3.2
575.19366	23.6
575.39325	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	574.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	11.0
57.03439	4.0
57.07082	32.0
65.03954	1.6
67.05511	38.8
69.07069	12.6
69.86341	6.5
71.05007	12.7
71.08638	22.1
75.26718	1.3
79.05501	11.0
81.06588	3.3
81.07068	61.7
83.04980	2.5
83.08630	12.5
85.06535	5.5
85.10182	12.8
87.04486	14.6
91.05496	12.5
93.07047	13.2
95.05017	1.8
95.08616	23.8
96.08922	2.1
97.06537	3.5
97.10174	4.3
98.29091	1.6
99.08053	1.6
105.07029	6.3
107.08601	8.4
109.06498	1.8
109.10162	13.9
117.07037	2.1
121.10135	3.3
123.11715	11.2
127.89906	1.7
131.08540	1.6
133.10114	10.8
135.11720	2.8
151.11214	5.2
159.11673	2.4
169.12206	1.5
183.13824	2.6
187.13316	2.5
195.13846	2.5
255.23267	1.5
269.17471	4.5
283.26413	2.8
284.96243	1.6
301.20117	22.3
313.27444	27.0
391.52850	1.5
481.38950	100.0
495.40408	4.0
507.40369	5.4
539.43188	56.7
574.40509	2.4
574.49066	18.7
593.84735	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59727	1.7
52.70243	1.7
53.03937	2.9
55.01875	3.8
55.05515	11.9
56.00805	1.6
57.03440	10.4
57.07081	21.7
65.30990	1.6
67.05509	23.6
69.07084	13.1
69.24170	16.3
70.06615	11.1
71.05000	1.8
71.08643	14.6
71.49884	1.8
76.78511	1.8
79.05505	20.0
81.03439	3.3
81.07059	23.3
83.04983	7.3
83.08624	8.3
85.06536	3.0
85.10188	7.8
87.04481	26.6
90.89910	1.7
91.05501	12.5
93.07057	19.0
95.04988	5.6
95.08615	18.1
97.02901	6.8
97.06532	7.6
97.10196	5.6
99.04441	2.3
100.06119	1.8
105.07056	7.2
107.04949	7.1
107.08624	10.6
108.07014	1.8
109.06554	1.9
109.10183	10.6
111.04468	9.9
111.08106	3.3
113.06016	2.5
116.07095	15.4
117.07028	6.3
119.08601	6.7
121.06533	3.4
121.10138	7.2
123.04475	2.1
123.11675	2.6
125.06002	3.4
129.06969	2.1
131.08588	6.0
133.10121	2.0
135.08162	2.0
135.11708	15.4
145.10153	11.3
149.09645	5.1
155.08591	2.4
163.11194	10.2
165.09184	2.6
173.09691	5.3
181.12254	4.0
191.10768	8.8
200.64822	1.9
209.11732	16.2
212.69876	1.7
227.12785	5.4
239.23883	2.4
255.15849	10.9
283.15421	100.0
301.16501	19.6
311.25851	2.8
313.27408	37.8
319.11450	2.0
341.26642	2.0
351.87311	1.9
487.52606	2.3
521.38507	9.3
539.39459	19.3
574.39294	4.5
574.48956	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	574.432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.5
53.55236	0.7
55.01879	1.1
55.05270	1.2
55.05517	17.3
56.02229	0.8
57.03447	12.3
57.06884	0.7
57.07082	7.8
65.03944	0.8
67.05510	9.1
69.03439	1.3
69.06736	1.4
69.07075	17.7
69.36479	0.8
70.06601	2.0
70.91609	1.4
71.04990	1.4
71.08645	5.0
79.05504	7.9
81.03427	48.5
81.07058	9.9
83.04975	3.4
83.08146	1.5
83.08630	24.2
85.10194	2.1
87.04473	7.5
91.05502	8.8
93.07059	6.2
93.20781	1.0
95.04977	14.0
95.08604	5.0
97.02900	1.3
97.06545	2.5
97.10188	11.2
101.07970	0.7
105.07039	8.3
107.04964	3.4
107.08590	3.8
109.06522	1.9
111.04443	0.9
111.08090	3.4
111.11710	1.7
115.05445	1.1
116.07092	3.2
116.16833	0.9
117.07056	0.8
117.62344	0.9
119.08613	7.8
121.06487	2.5
121.10168	5.9
125.09681	1.1
129.07001	4.9
131.08609	3.9
133.06483	1.8
133.10135	2.5
135.11679	1.7
136.58214	0.9
142.07771	1.1
145.10213	1.0
147.08098	1.4
147.11664	4.6
149.09639	1.8
149.13281	1.0
157.10165	5.4
160.72105	0.8
165.12766	1.1
175.11217	6.1
193.10674	0.7
193.12270	17.4
211.13347	1.9
249.14877	1.6
267.15945	100.0
268.16306	1.1
301.16400	1.6
311.25836	59.4
313.27396	2.0
367.84470	0.9
503.37381	44.1
521.38251	1.0
539.39465	1.1
574.39185	1.5
574.49133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.4
53.03944	4.2
55.01866	2.6
55.05508	5.5
56.05040	1.5
56.22241	1.0
65.03944	2.1
67.05512	16.7
69.03430	2.1
70.06587	3.1
71.04993	1.8
71.07372	4.1
72.08160	30.7
79.05068	1.8
79.05502	24.0
81.03422	3.1
81.07051	4.6
83.04995	1.5
85.02910	1.5
91.05491	14.7
93.07048	10.4
93.22401	1.0
95.04974	3.8
95.08607	1.5
96.04493	1.4
103.05479	2.3
105.03403	3.7
105.04459	1.2
105.07037	7.3
107.04964	7.1
107.08605	4.1
107.73703	1.0
115.05473	6.2
117.07032	7.9
119.04946	1.3
119.08573	1.5
121.06530	5.1
123.04448	3.1
128.06224	2.5
129.07019	12.1
131.04944	3.3
131.08577	1.8
133.06520	4.6
135.04372	1.4
135.08064	3.0
139.09933	4.4
140.10732	1.3
141.06998	3.4
143.04901	2.4
143.08614	1.9
145.02783	1.0
145.06488	12.6
147.04453	2.7
147.08043	2.3
148.19243	1.1
149.06027	1.3
151.03911	1.2
152.06245	2.1
153.07028	5.8
155.04903	1.9
155.06105	1.2
155.08556	1.9
157.06514	19.2
159.08078	4.4
161.05994	8.7
163.07565	1.3
165.07028	8.1
166.07776	1.5
167.08560	4.8
169.06483	4.9
171.04449	1.9
171.08051	1.7
173.06033	7.9
174.06802	5.2
175.03893	6.1
175.07550	4.9
177.05547	1.1
178.07799	4.2
179.08562	4.9
180.09383	1.5
181.06512	4.1
182.15430	0.9
183.04562	1.0
183.08057	3.0
185.05995	2.5
187.03886	2.8
187.07585	14.3
188.04842	1.3
189.05530	8.4
189.07112	1.6
189.09102	1.6
190.06204	1.3
190.07742	1.4
191.06984	1.2
193.06506	4.1
193.10123	7.0
194.07248	1.7
195.08081	6.3
197.06035	9.1
198.06837	1.2
199.07539	3.9
201.05489	28.2
201.09038	0.9
202.07890	1.4
203.08595	3.1
204.09453	1.5
205.06477	1.7
205.10080	1.2
206.07306	2.4
206.15448	8.2
207.08087	4.3
210.06723	1.9
210.15065	1.0
211.07538	17.5
212.08383	2.0
213.05464	12.5
213.09142	3.7
214.06264	3.1
215.07024	8.0
217.10056	1.4
218.10831	1.3
219.11725	1.2
221.06065	7.0
221.09613	8.9
223.07564	4.5
223.11113	2.1
223.57149	1.2
224.04749	1.3
224.08374	2.4
225.05524	1.8
225.09148	8.4
226.06268	3.3
227.07034	18.9
227.10670	3.3
228.09344	2.9
229.05125	1.1
229.08633	3.2
230.88263	1.0
231.08124	1.4
232.08810	1.7
233.09668	2.2
233.13269	2.1
234.06613	1.2
234.14961	3.3
235.07634	3.2
237.09148	3.1
239.07031	18.1
239.10648	5.9
240.07809	2.9
241.04976	1.8
241.08600	14.6
241.12270	2.0
242.11638	2.3
243.11716	4.3
247.07556	2.1
247.11238	3.4
248.08408	1.3
249.09128	8.8
250.09871	1.9
251.07088	7.3
251.10785	1.7
252.07872	2.1
253.08414	1.5
256.09018	2.1
261.09442	1.1
261.12735	6.0
263.06879	2.1
264.11377	2.2
265.08682	4.5
265.12317	2.3
267.06992	1.9
267.10144	12.8
267.13043	1.5
271.11179	6.1
274.09976	2.7
275.10776	1.8
279.13818	6.5
281.15439	1.4
284.08380	2.0
289.12277	10.0
291.10367	1.0
292.10733	1.8
293.11792	1.7
299.10626	7.1
302.09583	2.3
307.13297	12.7
309.14941	1.5
317.11685	17.2
334.14151	1.9
335.12787	17.1
364.19290	1.7
380.22400	8.7
388.18811	6.1
406.20139	90.2
424.21210	100.0
538.24573	6.7
556.25513	37.7
574.23474	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	574.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
55.01861	3.2
55.05518	12.2
57.06369	1.5
65.03939	3.2
67.05503	12.8
69.03426	2.8
69.07063	2.4
70.06603	8.1
71.07381	2.7
71.37609	2.7
72.08161	57.5
79.05501	16.4
81.03429	15.3
81.07056	9.9
83.05001	2.3
84.08147	2.9
85.02898	2.6
91.05485	9.9
93.07045	7.3
95.04965	15.9
95.08579	3.6
97.02898	1.9
98.06068	2.2
105.07034	11.2
107.04948	7.4
107.08600	5.3
109.02828	2.0
115.05444	3.0
117.07010	4.6
119.04978	3.3
119.08569	6.3
121.06520	1.9
123.04417	2.9
126.09151	3.3
128.06238	2.3
129.06964	1.7
131.04907	2.4
131.08568	6.1
133.06487	3.0
137.06041	3.4
138.09029	1.8
139.09886	1.6
140.07036	2.4
141.07033	1.5
143.08575	2.5
144.05669	2.0
145.02879	1.6
145.06467	2.8
145.10114	2.1
147.04375	8.7
149.06024	1.8
149.09636	2.1
151.03920	6.5
152.10732	5.3
153.07016	6.2
154.12248	6.9
155.08595	2.5
157.06523	3.4
159.08046	1.9
161.06035	3.3
163.03955	2.2
165.07027	9.1
167.08560	6.3
169.06483	3.9
173.05998	10.2
173.09595	1.9
175.03905	10.0
177.05472	6.3
177.06984	1.9
178.07800	1.8
179.08548	6.7
181.06511	10.3
181.10158	2.5
183.08011	3.4
184.05209	1.7
185.06021	2.4
187.03931	2.3
187.07632	1.9
189.05476	7.2
191.08589	3.2
193.06528	5.2
193.10298	3.2
195.08070	6.2
197.06020	7.7
198.06746	1.7
199.03920	10.1
199.07614	5.0
201.05513	7.4
203.08546	2.0
205.06531	2.5
205.10239	1.9
206.07265	3.4
207.08017	7.2
209.05943	4.6
209.09683	2.8
209.11700	1.8
210.06851	2.3
211.07558	10.5
213.05464	15.1
213.09152	4.2
215.06903	2.8
215.08707	2.8
217.10054	2.1
218.07355	1.7
219.08011	3.3
219.11754	2.5
221.06024	3.6
221.09641	7.1
223.07629	8.7
223.11143	1.6
224.08369	2.4
225.05424	3.6
225.09085	5.8
226.06235	2.4
227.06990	10.4
231.08034	3.5
232.08885	3.6
233.05969	2.7
233.09773	3.3
234.06737	3.6
235.07588	9.4
237.05554	3.5
237.09203	6.9
238.06134	3.3
239.07025	13.8
239.10791	3.1
241.08612	4.7
243.11699	2.5
245.09723	3.5
246.18584	2.4
247.07593	4.2
247.11214	5.1
248.08310	1.8
249.09093	4.0
250.10027	2.6
251.07053	7.7
251.10631	2.4
252.07903	7.0
253.08571	13.6
255.06529	3.2
261.09167	2.3
261.12756	4.3
262.10382	1.6
263.07068	3.0
263.10791	3.7
265.08694	8.0
265.12222	5.1
267.06708	3.7
267.10150	17.7
267.13055	2.6
271.11194	3.1
273.09171	3.0
274.09885	1.7
275.10703	4.9
279.10211	2.0
279.13800	4.1
281.08112	2.2
281.11627	5.1
281.14700	1.7
289.12228	6.3
291.10349	3.4
291.13641	1.9
293.08633	1.6
293.11710	6.5
307.13297	23.8
309.14868	5.1
312.15735	2.4
317.11679	6.7
326.13895	2.3
335.12793	32.0
338.14136	3.3
378.20676	2.6
380.22202	4.1
406.20145	100.0
424.21243	41.1
538.24420	8.2
556.25494	54.7
556.34186	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.01876	2.4
55.05513	3.7
57.07072	0.9
65.03944	3.0
67.05180	1.5
67.05511	20.0
67.76571	0.9
69.03432	1.6
69.07070	1.8
69.81055	2.8
70.06587	3.9
71.07363	1.8
72.08156	18.7
73.67123	0.8
79.05501	25.5
81.03420	7.6
81.07063	15.3
83.04974	1.1
91.05486	31.0
92.06277	2.4
93.07059	13.4
95.04977	19.7
95.08618	3.2
98.06068	1.9
98.20844	1.8
98.21384	1.3
103.05483	2.3
104.06221	1.3
105.03384	1.1
105.07037	40.2
107.04951	3.1
107.08601	14.9
109.06535	1.2
109.10160	1.2
110.09628	1.0
111.06875	1.0
115.05469	3.7
116.06293	1.1
116.07104	3.6
117.07026	26.7
118.07794	2.5
119.04970	1.4
119.08591	7.8
121.06535	1.2
121.10145	1.7
123.04454	0.8
128.06226	2.4
129.07025	6.0
130.07816	8.0
131.04927	2.2
131.08578	23.8
133.02859	6.4
133.06487	3.4
133.10133	4.0
135.04420	1.9
135.11661	1.2
137.05988	1.1
139.09926	4.9
141.07008	1.6
143.04926	1.4
143.08583	4.1
145.02885	1.4
145.06483	5.4
145.10135	63.3
146.10930	20.2
147.04439	2.5
147.08095	1.3
147.11699	18.2
148.12384	1.0
149.06003	1.1
149.09540	1.0
149.13237	1.7
153.07031	1.7
155.08557	2.8
157.06516	1.0
158.07246	1.5
159.04558	1.3
159.08061	3.5
160.05171	1.2
161.02345	3.1
161.06006	1.2
163.03920	12.5
165.07005	0.9
167.08427	0.9
171.08159	0.9
173.02361	41.2
173.05943	5.8
173.09633	11.6
174.10463	4.2
175.03906	1.9
175.11208	3.1
179.08537	1.6
181.06482	1.5
183.04436	1.0
185.06024	1.4
185.09685	1.3
187.03931	6.6
187.07555	1.0
191.03424	5.3
195.08018	1.7
197.06015	1.8
199.03925	17.2
199.07629	1.6
201.05482	5.0
201.09061	1.3
205.06389	1.1
207.08038	1.8
211.07596	1.9
213.05563	1.3
216.13959	0.9
217.05023	4.0
223.07579	1.1
225.09160	2.3
227.07098	5.2
235.07550	1.9
237.05634	1.4
239.07108	5.2
241.08559	2.0
241.12244	1.2
244.17001	3.5
245.17744	2.3
246.18568	23.6
251.07129	2.3
253.08626	22.0
265.08542	1.7
281.15369	1.7
291.10172	1.0
294.30487	1.0
298.14468	8.0
307.13229	5.7
309.14951	2.9
317.11581	2.0
324.12213	1.4
325.14374	3.5
335.12811	6.3
353.13889	7.3
380.22226	20.5
406.20154	69.3
424.21216	100.0
491.72852	0.9
538.24420	4.1
556.17639	1.2
556.25513	16.8
573.48846	1.7
574.49127	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70240	0.5
51.98086	0.6
53.03942	1.3
55.01866	1.4
55.05521	3.0
56.05030	1.2
58.06590	1.0
62.70287	0.5
65.03925	1.8
67.05508	14.0
68.02650	0.5
69.03422	1.5
70.06593	1.5
70.21452	1.2
70.21853	1.0
71.07373	6.1
72.08161	13.3
77.07812	0.6
79.05500	26.1
80.06272	0.5
81.03416	2.5
81.07062	4.4
83.04998	0.7
89.30862	0.6
91.05490	11.1
93.07056	4.6
95.04961	2.6
95.08598	1.8
96.04507	1.4
96.05762	0.9
97.06535	0.7
98.06067	0.7
103.05460	1.6
105.04572	0.6
105.07041	15.7
106.07819	2.3
107.04926	2.3
107.08604	23.0
109.06522	0.9
110.06075	1.0
115.05475	1.7
117.03384	0.9
117.07018	4.4
119.04936	1.0
119.06062	0.7
119.08577	3.7
121.06499	1.1
124.07594	0.9
128.06227	1.0
129.06993	1.3
130.07808	0.8
131.04956	1.3
131.08594	3.6
133.02859	1.8
133.06482	3.0
133.10147	3.9
135.04419	3.2
139.09926	6.7
143.08560	0.8
145.02850	0.8
145.06479	1.4
145.10144	5.3
146.10890	1.0
147.04510	1.2
147.08046	1.7
147.11676	3.7
149.13223	1.2
151.03917	1.8
152.10678	0.9
155.06027	0.7
157.10098	0.7
159.04459	2.0
161.02277	3.3
161.05984	8.5
163.03976	3.1
163.07574	1.1
173.02293	4.1
173.05989	1.7
173.09622	4.7
174.10466	0.9
175.03844	0.7
175.07510	1.0
175.11160	3.3
177.05405	0.9
183.08049	0.8
185.06006	0.9
187.03920	100.0
189.05493	2.9
189.09126	1.7
191.03447	0.8
197.06075	0.9
198.06668	1.2
200.04698	0.8
201.05475	6.0
205.05013	2.0
206.15451	0.9
211.07535	1.1
213.05562	1.1
213.08997	0.6
215.06969	0.8
215.10777	0.6
218.05769	0.8
219.06467	1.2
221.09686	0.8
225.09146	2.0
239.07039	5.1
239.10693	1.3
241.05133	0.7
241.12294	1.3
244.17065	1.6
246.18553	23.0
249.09154	2.0
258.11273	0.7
267.10214	4.9
286.17740	1.6
309.14957	0.6
335.12732	3.9
335.19263	0.7
380.22208	18.2
388.19046	1.0
406.20154	45.6
407.20554	0.6
424.21222	57.4
538.24298	5.0
556.25586	13.8
556.34204	1.6
573.48590	0.8
574.24310	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	574.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.01871	3.3
55.05523	5.1
56.05027	1.5
58.06599	1.2
65.03949	4.1
67.05512	35.8
69.03429	2.2
69.40742	4.9
70.06590	2.1
71.05000	0.9
71.07386	5.8
72.08163	26.1
72.33456	0.8
78.64625	0.7
79.05501	23.1
81.03423	3.9
81.07063	5.8
83.05000	0.9
84.08128	0.9
90.87997	0.8
91.05492	14.4
93.07052	8.5
93.75538	0.8
95.04965	2.8
95.08604	2.0
96.04498	2.6
98.06092	1.9
100.11225	0.8
103.05477	3.1
105.07048	5.6
107.04961	10.3
107.08605	5.5
109.10190	1.3
110.06023	0.9
111.06815	0.8
115.05479	7.2
117.07047	7.0
119.04956	2.0
119.08586	4.2
120.08137	1.2
121.06476	2.2
121.10114	1.2
123.04349	1.9
124.07594	1.6
128.06232	1.9
129.07021	17.1
131.04887	1.8
131.08583	2.0
133.06502	4.0
133.10234	0.8
135.08038	4.0
137.05966	1.8
139.09929	6.1
140.10703	1.6
141.06995	1.1
143.04936	2.9
145.06494	11.8
146.07204	1.0
147.04420	5.0
147.08051	5.7
149.06046	1.2
149.09691	1.0
151.03947	1.9
152.06200	1.0
152.10715	1.5
153.07039	1.6
155.04930	1.0
155.06065	1.2
155.08595	1.2
157.06494	26.0
159.04436	1.4
159.08070	4.0
161.06000	9.5
163.03842	1.1
165.07022	7.9
165.17398	0.7
166.07814	1.0
166.49617	0.8
167.08604	4.2
169.06548	2.2
169.10197	0.9
170.43767	0.8
171.08043	1.8
173.06017	8.8
174.06769	13.7
175.03951	3.2
175.07567	6.3
177.05568	0.8
178.07768	5.2
179.08556	5.9
180.09354	1.1
181.06490	4.4
181.10098	1.4
183.08018	2.6
185.05948	2.1
187.04053	1.6
187.07570	9.2
188.04732	1.6
188.14307	0.9
189.05467	13.0
189.07039	1.3
190.06271	5.8
190.07742	1.2
191.08560	1.5
193.06496	3.6
193.10175	11.5
195.08093	9.5
197.05975	4.4
197.09590	1.0
198.06741	3.2
199.07553	3.0
201.05489	37.1
202.07820	1.1
203.08591	2.9
205.06552	1.2
205.10139	1.1
206.07317	4.2
206.15417	16.6
207.08109	4.7
208.08946	1.4
209.05991	1.4
209.09619	1.8
210.06821	1.3
211.07562	12.4
213.05515	6.2
213.09079	3.7
214.06271	1.1
215.07019	2.9
215.08829	1.0
217.10152	1.3
218.05617	0.9
218.15416	3.1
219.08061	1.8
219.11635	1.5
221.05975	3.4
221.09622	17.2
223.07591	3.0
223.11099	4.0
224.08313	4.0
224.16541	1.3
225.05557	1.1
225.09105	8.4
226.06253	1.8
226.09782	0.9
227.06999	9.0
227.10561	1.4
228.09334	2.5
229.08554	1.2
231.08099	1.5
233.09593	2.1
233.13327	1.2
234.06729	2.4
235.07570	4.1
237.05417	1.2
237.09065	3.1
239.07027	11.4
239.10663	10.9
240.07834	3.0
240.11464	1.5
241.08633	3.5
241.12259	1.9
243.11757	4.2
245.09818	1.1
246.10432	1.6
246.18617	0.9
247.07593	1.2
247.11171	1.7
249.09103	9.6
250.09991	1.2
251.06995	3.3
251.10716	1.4
252.07800	2.8
253.08612	3.3
254.11794	2.4
256.08765	1.1
261.09091	1.5
261.12799	3.5
263.10641	1.6
265.08606	2.5
265.12207	2.4
267.10181	14.8
271.11099	5.1
274.09860	1.1
275.10733	1.7
278.09442	0.9
279.13788	2.5
284.08347	1.0
289.12250	6.2
291.13721	1.2
293.11694	2.2
299.10645	5.8
302.09326	2.3
307.13312	7.1
317.11743	11.4
334.14371	5.3
335.12750	16.8
338.17673	0.9
352.15564	0.9
378.20749	2.0
380.22238	11.4
388.19058	4.2
406.20157	61.9
424.21216	100.0
511.87012	0.8
538.24481	7.3
556.25470	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.5
53.03941	1.9
55.01873	0.9
55.05517	1.8
56.05021	0.9
57.03424	0.4
58.06610	0.5
65.03934	1.6
67.05509	11.9
69.03426	0.8
69.07040	0.5
69.47228	2.5
70.06589	1.0
70.40646	0.3
71.04980	0.5
71.07378	3.9
72.08160	10.9
77.03940	0.5
78.04685	0.7
79.05499	19.8
80.06282	0.4
81.03426	2.6
81.07065	3.4
86.70431	0.3
89.03921	0.6
91.05488	8.6
93.07031	2.3
95.04975	2.7
95.08624	0.8
96.04500	1.0
98.06037	0.5
103.05481	2.0
105.03395	0.4
105.04501	0.5
105.07043	17.0
106.07841	2.2
107.04945	2.1
107.08601	12.0
108.02105	0.8
109.06507	0.8
110.05997	0.5
111.06837	0.5
115.05477	1.1
117.03351	0.4
117.07033	3.8
119.04939	1.2
119.08607	2.6
121.06458	0.6
123.04426	0.6
124.07574	0.7
128.06216	0.6
129.07018	1.2
130.07788	0.6
131.04913	1.1
131.08563	4.4
133.02863	1.0
133.06480	2.3
133.10127	1.6
135.04437	2.2
135.08087	0.5
139.09940	4.5
141.05446	1.0
141.06990	0.9
141.26178	0.4
143.08595	0.9
145.02815	0.8
145.06471	1.6
145.10130	5.4
146.10904	0.8
147.04422	1.2
147.08049	1.1
147.11678	3.4
149.13248	0.8
151.03920	29.6
151.05040	3.2
152.06227	0.5
152.10661	0.4
153.06967	0.7
154.07748	0.4
155.08557	1.6
157.06493	0.9
157.10202	0.4
159.04468	1.7
159.08026	1.1
161.02356	3.5
161.05981	11.2
161.07271	0.7
163.03926	2.9
163.07611	1.9
165.06984	0.9
167.08621	0.6
169.06458	0.9
171.08029	0.7
173.02356	4.8
173.06035	2.2
173.09631	3.2
174.10454	0.4
175.03958	0.6
175.07530	0.9
175.11195	1.1
177.05432	0.4
178.07806	0.5
179.03464	0.6
179.08519	0.5
181.06465	0.5
183.04288	0.4
183.08064	0.6
185.05997	0.9
187.03920	100.0
188.04413	0.5
189.05432	1.8
189.09160	1.0
191.03436	0.9
193.10231	1.0
195.08093	0.9
197.05981	1.6
197.09575	0.7
198.06712	0.6
199.07533	0.8
199.11143	0.5
200.04716	0.7
201.05476	5.2
205.04988	3.2
206.15396	1.1
209.06134	0.5
209.09619	0.4
211.07539	2.3
213.05528	1.1
213.09079	0.9
215.07050	0.9
218.05811	0.7
219.06407	0.5
221.09683	0.6
225.09155	1.6
227.07013	0.7
239.07068	4.2
239.10765	1.2
241.04953	1.1
241.08612	0.9
241.12149	2.5
244.16969	1.5
245.17731	0.3
246.18561	8.1
247.11118	0.4
249.09079	1.4
255.06442	0.8
257.07990	0.4
258.11359	0.4
267.10199	4.5
285.11136	0.5
291.13977	0.4
307.13303	0.6
309.14969	0.5
333.04010	0.4
335.12854	3.7
337.14499	0.5
380.22238	12.6
388.19089	0.8
394.15955	0.6
406.20148	40.9
424.21210	43.5
431.14459	0.4
475.14142	0.6
520.23370	0.5
538.24371	6.6
546.21344	4.7
556.25446	15.2
556.34229	0.9
574.20624	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	574.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01859	1.2
55.05521	1.7
56.05018	0.6
64.22547	0.3
65.03954	3.1
67.05193	0.5
67.05514	7.2
68.02643	0.3
68.99788	0.4
69.03410	0.4
69.07066	0.6
70.06596	0.4
70.69467	0.8
71.07379	2.2
72.08163	8.9
72.71228	0.3
73.57227	0.3
79.05502	11.8
79.05969	0.6
80.02611	0.4
80.06259	0.5
81.03414	1.3
81.07066	3.9
83.04989	0.8
86.26112	0.3
89.03916	0.6
91.05494	9.7
92.55157	0.3
93.07038	2.5
95.04979	3.1
95.08580	0.8
96.04502	0.7
96.05733	0.4
97.06573	0.4
98.06039	0.3
103.05468	1.5
105.03378	0.5
105.04505	0.9
105.07046	12.8
105.07761	0.7
106.07813	1.5
107.04974	2.6
107.08604	6.9
108.02098	3.1
109.02857	0.4
109.06520	0.8
110.06057	0.3
111.04454	0.7
112.01630	0.3
115.05453	0.8
117.03397	0.5
117.07026	4.8
119.04957	1.4
119.08587	3.2
121.03967	0.4
121.06555	0.6
123.04428	0.5
124.07602	0.6
124.17942	0.4
126.09222	0.4
128.06154	0.5
129.07013	1.4
130.07799	1.2
131.04942	1.1
131.08598	5.1
133.02849	1.2
133.06531	2.0
133.10129	1.2
135.04410	1.5
135.08060	0.6
136.01563	0.6
139.09938	2.3
141.05473	2.1
141.07021	0.6
142.07828	0.6
143.04945	0.5
143.08585	1.5
145.02885	1.2
145.06505	2.1
145.10141	8.2
146.10915	1.2
147.04393	0.9
147.08098	0.9
147.11688	4.6
149.13197	0.7
151.03926	100.0
151.05032	10.2
153.07016	1.0
155.08571	1.1
157.06461	0.8
157.54999	0.4
159.04475	2.5
159.08076	0.9
161.02362	3.2
161.06000	10.1
163.03943	3.4
163.07542	0.5
165.07062	0.8
166.07758	0.6
167.08606	0.4
169.06418	0.7
171.04436	0.4
171.08078	0.4
173.02356	6.0
173.05965	1.7
173.09636	3.4
174.10423	1.1
175.07515	0.6
175.11209	1.4
178.07887	0.4
179.03479	0.4
179.08644	0.4
181.06453	0.8
181.10132	1.8
183.04558	0.4
183.08055	0.4
185.05971	0.8
187.03926	98.7
188.04276	0.5
189.01823	0.7
189.05525	0.6
189.09264	0.4
191.03487	0.6
193.10062	0.4
195.08095	0.5
197.05997	1.1
199.03934	1.4
199.07651	0.4
199.11250	0.8
201.05496	3.6
205.04988	2.9
207.08133	0.5
209.09744	0.8
211.07556	1.3
213.05505	2.0
213.09050	1.0
215.07097	0.6
217.04900	0.6
225.09105	0.7
227.03514	0.6
227.07010	0.6
227.10632	0.5
231.08308	0.4
237.09192	0.5
239.07027	4.7
239.10637	0.4
241.08585	0.9
241.12276	0.4
244.16936	2.0
245.17918	0.5
246.18539	5.2
249.09102	1.1
251.06947	0.5
257.08041	0.4
258.11334	0.4
266.53009	0.3
267.10214	1.1
275.10318	0.3
277.08560	0.5
279.10175	0.7
307.09955	0.6
307.13147	0.6
317.11505	0.6
323.09244	0.3
324.12631	0.4
335.12738	4.3
346.94254	0.3
380.22229	9.2
381.94476	0.3
388.19119	0.6
389.09958	0.4
394.16556	1.6
395.17438	0.3
406.20175	40.5
424.21240	34.2
475.14218	0.6
518.21716	0.7
520.23608	0.4
538.24469	3.8
546.21295	10.9
556.25562	11.9
574.20801	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	573.3038
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.03944	0.6
55.05514	3.1
57.03432	5.7
57.07077	27.1
67.05510	6.3
69.07068	4.0
70.06544	0.6
70.47307	1.1
71.08635	17.7
79.05490	1.3
81.03432	3.3
81.06659	0.7
81.07066	8.4
82.72913	0.4
83.08616	5.6
85.10181	9.8
89.06023	0.6
91.05492	0.8
93.07032	1.8
95.08607	11.0
97.10203	2.3
98.70614	0.5
98.98471	26.1
99.04462	0.5
107.08614	0.5
109.02911	3.2
109.10167	5.2
111.11711	0.5
116.99511	0.4
121.10125	0.7
123.11694	1.6
127.03913	0.6
135.11708	0.5
137.13278	0.9
145.10078	0.7
147.11736	0.6
155.01047	23.9
173.02022	1.2
187.14851	0.5
192.03380	0.5
221.22693	0.5
239.23688	3.8
243.02692	0.7
256.26358	3.5
257.24802	0.7
261.03683	1.4
313.27371	100.0
314.27676	1.2
317.06140	3.3
335.07391	2.1
393.24072	6.1
401.29013	2.7
503.71082	0.5
537.28430	2.9
573.48456	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.0
55.01871	1.4
55.05517	0.7
57.03434	0.8
58.06601	0.5
61.02924	0.4
67.05523	0.9
69.03433	2.6
71.04979	0.5
72.08156	1.4
73.02901	0.6
77.03931	0.9
79.05506	1.3
81.03423	3.7
81.07074	0.4
84.08137	0.7
85.02902	5.6
85.49072	0.4
87.00837	3.1
87.56798	0.4
91.05489	3.3
93.07050	5.2
95.04976	4.3
97.02916	3.5
99.04465	1.5
103.05470	2.6
105.01955	2.6
105.03395	100.0
105.07013	0.8
107.08603	0.6
109.02882	2.5
111.04476	0.5
117.01762	0.4
117.07035	0.8
119.08562	0.6
121.06507	54.4
122.06026	1.1
127.03932	4.6
131.04942	0.5
131.08589	1.0
145.04971	2.3
145.06482	1.0
147.11655	0.5
148.07581	0.4
157.06459	0.5
158.07283	0.8
159.02904	1.4
159.07996	0.8
172.08870	0.8
173.05904	0.5
178.78165	0.5
187.11197	8.5
201.05499	0.9
206.95502	0.5
225.75583	0.5
231.04935	0.5
242.11768	92.2
243.11972	0.7
289.12714	0.4
307.13446	0.6
308.16461	8.8
326.17487	1.6
335.12701	0.7
406.20178	1.8
424.21179	1.1
538.24701	0.6
546.27917	0.4
556.25293	1.6
582.13391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.3
55.01870	0.7
55.05492	0.5
56.15423	0.2
65.03935	0.3
67.05478	0.7
68.99789	0.4
69.03415	0.6
69.07042	0.7
69.79575	0.4
69.79989	0.7
70.06583	0.5
77.12696	0.2
79.01421	0.3
79.01859	6.1
79.05489	0.4
81.03389	0.4
81.07072	1.2
83.08585	0.2
84.08115	0.3
85.02914	1.0
91.05486	1.1
93.07040	0.5
95.04962	0.5
95.08591	0.9
97.02861	0.6
97.06513	0.4
98.21455	0.3
99.90882	0.2
105.01878	0.2
105.06979	0.4
107.08578	0.6
109.02845	0.4
109.06531	0.3
109.10139	0.6
111.08099	0.3
119.04958	1.9
119.08551	0.5
121.02865	4.9
123.04437	1.8
123.11710	0.5
127.03916	0.5
131.08578	0.3
133.06526	0.4
133.10103	0.3
135.11745	0.3
137.02318	0.3
137.05951	0.6
137.13301	0.4
139.03912	2.7
141.01785	0.4
141.06949	0.2
145.02878	1.6
145.06445	0.6
145.10132	0.5
147.04405	0.7
151.03925	3.4
151.07518	0.3
153.01826	1.9
157.06464	1.0
159.11708	0.3
161.05875	0.3
163.03894	1.3
165.01854	2.8
165.05533	0.2
167.91667	0.2
173.05893	0.3
183.02933	1.6
185.05989	0.9
187.03889	0.2
187.07462	0.3
189.09052	0.4
201.09126	0.2
203.10712	0.4
211.03922	0.4
213.05498	5.9
241.04941	0.4
255.06538	1.1
259.06000	1.1
271.06030	72.5
272.06363	0.4
283.06027	100.0
284.06454	0.7
303.08624	3.5
307.26312	0.4
421.09204	14.1
433.09338	0.6
573.14032	29.6
583.06909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36034	0.2
56.05047	0.6
58.06606	100.0
68.92690	0.2
69.03442	0.4
70.06593	0.5
70.90643	0.5
74.93686	0.2
78.84200	0.2
79.05531	0.2
81.03431	1.0
83.00980	0.2
84.08134	0.3
85.02912	0.6
91.05491	3.2
93.07059	0.2
97.02939	0.3
101.27679	0.2
103.05487	0.6
105.07044	0.3
107.04974	0.6
112.08768	0.3
115.05484	1.0
117.05785	0.3
117.07037	0.6
119.04957	4.2
130.06537	0.2
131.04939	0.5
132.08139	0.7
134.06071	0.6
145.06499	1.7
146.06032	3.4
147.04425	4.5
147.05536	0.3
155.06056	0.3
157.03981	0.6
159.06776	0.3
160.03993	0.7
160.07597	10.9
167.07053	1.8
167.56517	0.2
170.06064	1.0
173.06018	2.1
175.03926	7.7
179.07127	0.3
181.05006	0.5
184.07628	0.8
186.05521	1.0
186.09055	0.2
191.07060	0.7
205.08757	1.1
205.13382	4.8
207.06544	14.1
212.07224	0.4
219.06650	0.8
221.08159	0.3
233.08170	0.3
246.09131	0.2
324.12466	1.6
334.11020	0.3
335.11380	0.2
338.13989	0.5
348.12561	0.3
351.10928	0.8
351.31711	0.2
366.13391	5.4
367.18826	0.8
369.11810	0.7
408.14514	0.2
510.18033	0.3
528.18768	0.7
538.46814	0.3
573.24475	39.7
574.24799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.3
53.03933	0.8
54.18489	0.2
55.01865	1.4
55.05504	0.6
55.68389	0.3
55.80102	0.3
65.03912	0.3
67.05492	0.8
68.99802	0.4
69.03429	2.7
69.07062	0.9
70.06586	0.7
71.04987	1.1
71.52473	0.2
71.52892	0.3
73.02911	0.5
79.01412	0.3
79.01862	6.1
79.05486	0.9
80.17942	0.3
81.03426	2.9
81.07063	2.4
83.04927	0.3
83.08632	0.4
85.02908	3.6
86.09689	0.4
87.00815	1.2
88.61020	0.3
90.56726	0.3
91.05483	1.9
93.07034	1.2
94.04198	0.3
95.04943	0.8
95.08605	2.1
97.02901	1.9
97.06520	1.0
97.10158	0.3
99.04448	0.9
103.05475	2.0
105.01866	1.2
105.07038	3.6
107.04942	0.4
107.08579	1.1
109.02876	2.5
109.06514	0.8
109.10165	1.9
111.04432	0.5
111.08157	0.3
115.05477	1.2
119.04943	2.1
119.08575	0.7
121.02872	5.9
121.06499	0.8
121.10128	0.8
122.03639	0.6
123.04446	1.6
123.11695	0.9
127.03940	3.3
128.06206	0.3
129.06990	0.7
131.04936	1.7
131.08539	0.7
133.06496	2.4
133.10144	0.8
135.04419	0.3
135.08046	0.4
135.11719	0.8
137.02316	0.3
137.05989	12.7
139.03914	2.5
141.01732	0.3
141.07011	1.7
143.04918	0.4
145.02852	2.0
145.04993	0.9
145.06482	1.1
146.03458	0.3
147.04408	1.0
148.05209	0.5
149.06024	0.4
149.13235	0.3
151.03918	3.4
151.07559	1.3
151.11157	0.6
153.01808	1.9
155.03409	0.5
157.06494	1.2
158.07289	0.8
159.02895	0.8
159.08015	0.8
161.06020	5.5
163.03889	1.3
163.07568	1.6
165.01840	2.4
165.05518	0.4
167.07140	0.4
169.06528	1.8
171.86508	0.3
173.06049	0.3
173.09602	0.7
175.07556	3.6
177.05441	0.4
183.02989	1.4
185.05974	1.3
186.06781	5.2
187.07579	1.1
189.07043	0.3
189.09128	0.6
190.07901	0.5
191.08589	0.9
199.07552	1.1
201.09106	4.1
202.07834	0.4
203.08600	0.7
205.10074	0.6
207.08269	0.3
213.03796	0.3
213.05511	6.0
215.09010	1.3
217.08762	0.5
218.07426	0.4
219.08046	1.5
229.08435	0.3
231.05005	0.5
231.08015	0.7
232.08881	0.4
233.09630	0.9
241.05013	0.4
247.07686	0.9
248.08438	0.4
249.09398	0.4
250.09918	0.3
251.10654	1.5
255.06541	0.9
259.05997	1.0
261.09259	0.6
263.10751	0.5
265.12265	0.5
271.06039	70.2
272.06345	0.4
272.17316	0.6
276.07858	0.3
279.10126	1.3
281.08005	0.3
283.06036	100.0
284.06345	0.8
289.25415	0.5
291.10281	1.4
293.11722	1.0
295.05618	0.3
295.09589	0.5
296.10443	0.7
303.08643	2.7
307.26315	1.7
311.12805	3.0
323.12775	1.3
325.14359	9.8
325.27423	0.6
368.81497	0.3
421.09201	12.4
433.09286	0.4
555.21796	0.3
573.13879	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45694	1.0
51.76536	1.3
53.03944	3.5
55.01859	1.8
55.05505	3.9
57.03448	1.5
65.03938	3.2
67.05499	3.8
69.03432	6.4
69.07075	11.5
70.06596	4.9
71.04985	1.0
71.52630	1.4
79.05499	5.4
81.03419	3.5
81.07065	14.3
83.05010	1.8
83.58503	1.1
84.08133	1.2
85.02919	18.9
85.06554	19.3
87.00829	7.8
91.05489	69.6
93.07055	31.6
95.04990	6.5
95.08620	3.8
97.02907	11.3
97.06564	1.8
99.04496	2.9
105.01877	16.9
105.03439	1.3
105.07065	6.2
107.04968	5.6
107.08607	20.2
109.02890	7.4
109.06526	4.6
109.10164	3.0
111.11722	4.5
116.07114	3.5
117.01891	1.2
119.04957	62.5
119.08578	2.3
121.06534	3.5
121.10192	1.5
123.11720	11.3
127.03940	17.4
131.04976	1.2
133.06522	3.2
133.10124	2.0
135.04486	1.3
135.11708	35.7
137.05991	100.0
137.13242	2.1
145.04977	7.9
145.06439	1.6
145.10216	1.2
145.36406	1.1
147.04395	1.6
147.08041	1.4
149.05977	2.0
151.07582	1.6
151.11195	5.5
159.02881	2.2
159.08038	1.7
161.06030	4.4
173.09593	2.3
175.07515	1.1
177.09149	1.9
189.09183	1.6
197.09645	4.3
203.10695	2.5
215.10745	1.6
231.05063	10.4
249.06050	4.6
253.15926	3.2
271.16943	5.6
394.82455	1.4
418.07358	1.3
572.38452	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	572.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36650	1.3
67.05495	1.5
69.07059	3.1
69.57653	8.3
70.06033	1.5
71.04996	8.3
78.85175	1.3
79.05484	3.4
79.99249	1.5
81.07064	10.1
83.08644	1.5
84.91961	1.3
93.07063	9.0
95.08617	1.6
98.20850	2.8
107.08611	6.6
115.05441	3.1
117.07026	1.6
118.31527	1.3
125.74413	1.2
135.04427	22.0
135.11699	18.5
137.06004	15.6
143.04921	7.5
145.06499	3.5
153.12755	100.0
157.06468	1.8
158.16335	1.4
160.05104	2.9
173.06012	30.4
175.07559	14.6
185.06030	10.3
187.07573	7.1
189.09103	2.0
203.07065	13.7
205.08586	3.7
233.08112	23.0
235.09694	6.0
269.08066	3.4
281.08163	1.7
289.08646	2.1
321.11227	2.1
339.12097	8.3
368.32578	1.5
521.20105	1.5
563.06543	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01867	7.4
55.05274	2.3
55.05517	31.9
57.03445	12.0
57.06838	1.5
57.07082	12.0
59.05010	3.2
67.05515	22.1
69.07075	40.6
70.06610	2.6
71.01362	2.1
71.04989	3.2
71.08636	9.1
76.25020	1.4
79.00246	1.4
79.05498	23.7
81.03420	18.3
81.07066	24.1
83.01335	2.6
83.04996	12.1
83.08163	2.1
83.08627	38.8
83.09122	2.3
85.02903	6.2
85.06538	1.5
85.10194	3.2
91.05056	1.3
91.05495	13.6
93.06491	2.1
93.07053	27.5
95.04977	7.2
95.08624	14.3
97.02894	8.7
97.06541	8.3
97.10188	21.6
99.04455	2.0
105.07067	7.4
107.04943	10.9
107.08604	16.4
109.06509	3.9
109.10153	7.5
111.04471	6.6
111.08055	4.1
111.11717	6.4
116.07071	4.8
117.07016	7.0
119.08606	12.3
121.06475	3.7
121.10161	16.0
123.08065	4.4
123.11726	2.1
125.05995	1.6
125.09634	2.3
129.07010	2.7
131.08577	6.6
133.10139	1.7
135.08060	2.6
135.11702	15.9
137.09610	2.5
139.05829	1.5
141.16176	1.5
143.08594	1.7
145.10139	16.5
147.08060	4.2
149.09634	1.6
149.33774	1.3
153.12769	12.3
155.08365	1.5
163.09901	1.6
163.11198	27.6
173.08244	1.4
173.09607	7.2
181.12204	4.6
191.10710	9.6
209.11763	22.7
225.63885	1.3
227.12819	12.6
265.14279	9.1
267.16284	1.5
283.15414	25.0
301.16498	72.4
311.25833	100.0
313.27219	2.8
408.69058	1.4
427.32562	1.5
501.35629	5.6
519.36896	30.7
537.37927	95.2
538.38031	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
55.01865	4.5
55.05512	5.4
57.03426	5.4
60.96363	1.7
61.02921	3.6
62.20871	1.5
65.03943	3.2
67.05512	6.1
67.64014	1.5
69.03438	14.6
69.07074	14.0
70.06601	9.1
71.04999	2.5
73.02917	1.7
79.05508	7.8
81.03418	13.3
81.07067	19.8
83.04977	2.7
84.08142	6.4
85.02436	2.7
85.02916	37.9
85.06551	22.3
86.09705	2.5
87.00836	16.1
87.04465	1.6
91.05491	76.8
93.07053	44.0
94.70347	1.7
95.04982	6.9
95.08626	4.9
97.02905	16.7
97.06526	5.3
97.10187	1.7
99.04456	6.0
105.01871	27.1
105.03395	3.0
105.07069	8.5
107.04969	21.9
107.08604	27.5
108.05306	6.9
109.02892	12.6
109.05476	2.1
109.06521	5.3
109.10149	6.3
111.11733	4.2
116.07124	8.1
119.04955	60.9
119.08559	4.8
121.02882	5.7
121.06524	5.4
121.10159	4.1
123.11729	13.2
127.03931	24.1
130.08667	6.4
131.08572	2.6
133.10176	4.3
135.11714	49.9
137.05995	100.0
137.13266	3.1
145.04958	13.0
145.06525	1.8
149.06000	3.3
151.07591	4.0
151.11223	7.1
159.02933	5.5
159.07993	3.5
161.06044	2.5
161.09685	2.5
173.05841	2.1
173.09668	3.4
175.07584	3.9
177.05472	2.1
177.09154	1.8
183.07895	1.7
184.00668	6.7
187.07597	3.3
189.03957	4.8
189.09074	3.1
197.09700	5.2
201.09082	2.0
203.10710	2.8
215.10739	2.6
231.05057	13.3
249.06155	7.9
259.09946	1.9
271.13278	2.2
271.17017	6.1
276.97379	1.7
289.14569	2.0
306.11383	1.8
323.26297	1.7
324.12717	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	571.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
54.63703	3.6
62.68907	4.3
67.05503	13.7
69.28214	3.3
71.52688	4.0
72.08162	10.6
74.06097	5.2
75.33098	3.2
79.05496	100.0
81.07066	16.1
91.05489	44.1
93.07031	9.9
95.04990	11.8
105.07031	37.2
107.04922	5.3
107.08608	71.5
116.07100	7.0
119.08585	14.2
131.08586	9.0
133.06500	5.5
133.10153	14.9
134.08095	24.2
139.09978	10.0
147.08134	5.3
147.11673	36.1
175.11189	10.5
246.18553	75.1
248.16475	8.9
264.19617	23.7
276.86478	4.2
308.18564	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.2
53.03945	0.7
58.06614	0.3
63.49805	0.2
65.03934	0.6
67.05516	0.3
68.61396	0.2
69.03430	0.4
69.94674	0.8
70.06580	0.6
73.02968	0.2
75.43438	0.2
77.03911	0.4
79.05505	3.0
81.07069	0.4
85.02914	0.9
87.00783	0.2
89.03925	0.3
91.05490	6.1
93.07023	0.5
95.04958	0.7
97.02884	0.6
99.04430	0.3
105.03411	0.6
105.04548	0.5
105.07032	0.3
106.06564	9.6
107.04958	0.4
109.02886	0.6
109.06515	0.7
115.05463	0.4
116.04981	7.0
117.05685	0.3
119.04993	0.3
119.06066	0.5
121.94032	0.2
127.03928	0.7
131.08514	0.3
132.04448	0.5
132.08115	0.6
134.06021	100.0
137.05971	0.4
146.05869	0.3
147.04414	0.6
148.07565	2.6
149.05963	0.2
149.09639	0.4
151.03960	0.3
157.25685	0.2
159.02846	0.2
160.07585	20.3
161.05981	0.2
161.07983	0.3
161.09518	0.3
165.10208	1.2
176.07053	0.3
186.09152	0.3
191.11797	2.9
202.05020	0.3
202.08672	0.5
217.09682	1.2
220.05931	0.3
306.15979	1.7
324.17081	46.8
325.17444	0.4
348.17062	0.4
352.95642	0.3
353.17267	0.6
364.09927	0.2
366.18207	0.5
408.19098	0.3
429.47006	0.2
439.17133	1.0
536.20056	0.7
549.25525	0.3
554.21301	1.1
572.22394	2.8
572.37469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53815	0.4
55.05518	0.6
61.45878	0.4
70.97561	0.5
70.97881	0.6
81.07070	1.4
81.27238	0.3
83.04948	0.5
91.05494	0.7
115.05450	0.7
117.07062	0.9
118.06554	15.8
130.06526	1.0
132.08099	4.3
142.06528	1.8
143.07303	2.3
144.04468	0.8
144.08096	11.4
146.06018	59.0
151.11205	1.2
159.09189	5.7
160.07570	2.0
169.12257	4.4
170.05992	3.7
187.08679	0.7
187.13319	0.5
188.07082	100.0
189.07411	1.1
205.09740	54.5
259.50745	0.4
292.09668	1.0
402.87042	0.4
471.09174	0.4
473.70679	0.5
493.61426	0.4
535.99048	0.4
541.35126	0.4
571.22601	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.01865	1.5
55.05267	1.5
55.05515	18.5
57.03448	12.6
57.07084	7.6
63.13999	1.1
67.05516	9.1
69.06728	1.9
69.07076	20.6
70.06620	1.2
71.08636	4.9
71.53264	1.5
79.05505	6.9
81.03426	45.1
81.07059	11.0
83.04969	2.5
83.08161	2.0
83.08628	21.7
85.06577	1.3
85.10179	2.6
87.04453	1.9
89.06049	12.5
91.05484	9.4
93.07060	7.6
95.04983	15.4
95.08604	6.1
97.02931	1.3
97.06520	2.6
97.10167	12.3
97.27987	1.0
102.10309	0.9
105.07050	6.8
107.04980	2.9
107.08599	4.3
109.06511	1.7
109.10133	2.7
111.04442	1.2
111.08087	5.2
111.11724	2.3
116.07108	1.5
119.08597	7.7
121.10160	5.1
123.08107	1.8
129.07014	5.2
131.08594	5.0
133.06499	1.2
133.08609	9.3
133.10146	3.6
135.11710	1.2
137.09656	1.5
142.07762	2.2
147.02847	1.1
147.08073	2.0
147.11700	4.1
149.09628	2.2
157.10139	6.3
175.11211	4.6
177.11232	3.0
193.12282	17.4
261.98389	1.2
267.15942	100.0
299.14905	1.4
311.25836	60.4
371.22852	7.2
503.37350	38.6
565.91071	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	2.4
70.65412	3.2
82.99885	2.0
85.02901	1.8
94.22592	1.5
97.02890	3.2
98.97598	3.6
101.00880	14.3
110.97575	2.5
113.00878	2.7
115.02475	1.7
119.01928	23.4
126.74648	1.2
127.02468	2.7
127.03944	1.9
131.00208	2.2
131.01894	8.9
133.03531	2.8
137.02930	1.6
139.02405	2.2
143.01913	28.4
143.03026	1.5
145.03481	11.1
147.01436	2.5
147.03101	4.0
149.01234	2.9
155.01901	16.1
156.03604	3.2
157.03444	9.9
161.02977	23.8
161.19383	1.3
163.03963	1.6
167.01912	10.9
168.99872	4.5
169.03474	5.3
171.01462	2.7
171.05003	2.9
173.02983	24.3
175.04524	1.7
179.01938	5.4
185.02966	40.8
187.00871	3.3
187.04539	4.8
189.00769	2.9
191.03993	1.5
196.99268	1.6
197.02959	16.5
199.00854	2.5
201.02496	3.3
203.02283	2.5
203.04007	12.5
213.02470	2.6
215.00514	7.4
215.03998	10.6
216.73532	1.4
217.01993	3.7
219.03516	3.0
221.05070	4.5
227.04027	13.2
228.05746	11.3
228.55927	6.9
228.97043	4.1
229.01976	4.5
231.03581	3.8
237.02789	1.4
237.56494	2.0
239.03929	1.7
239.06250	1.7
241.01961	2.1
245.05104	100.0
247.03029	6.0
257.05176	7.0
259.02975	3.0
263.06155	12.5
271.02997	4.4
275.02496	4.1
275.06143	16.8
289.04102	10.9
293.07092	4.1
301.03949	2.2
305.07309	8.6
307.05121	6.9
317.03638	1.7
318.58987	1.9
319.05191	3.7
331.05075	11.5
333.06573	1.6
335.08282	6.0
347.08298	1.4
349.06229	15.9
352.11520	1.5
359.04510	4.1
361.06091	1.8
365.04788	1.4
365.09244	21.8
377.05762	4.1
383.10388	1.7
391.07385	5.1
399.61807	2.8
400.11929	2.7
409.08179	3.5
469.10510	2.4
481.10144	1.7
483.11581	1.8
511.11261	10.0
539.10516	4.1
561.68420	1.7
571.13519	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25774	5.6
62.06090	10.0
62.36205	5.6
69.07070	11.9
69.26139	5.4
70.06589	14.1
71.05000	17.0
81.07066	36.9
84.08201	5.9
88.07630	12.1
91.05458	5.9
91.47706	5.3
91.88345	6.2
93.07046	21.4
93.46116	5.5
102.09178	9.0
104.74487	5.9
105.03400	8.4
107.08603	29.2
109.10175	8.3
130.08572	7.9
131.09760	6.0
132.35904	6.6
135.04465	6.1
135.11694	37.5
137.05963	28.9
140.17424	5.7
149.05998	27.0
151.07559	19.3
153.12744	100.0
159.10069	5.6
174.06775	6.1
175.07574	29.1
189.09138	26.6
193.04951	8.3
201.09061	10.6
216.71414	6.0
219.10149	6.7
249.11316	9.2
256.26364	25.4
341.10202	21.9
414.75009	6.1
465.44904	6.2
565.13660	6.2
570.34216	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31659	0.6
55.05519	0.7
57.07085	6.1
58.06606	1.6
65.03952	0.5
66.79718	0.5
70.06602	15.0
71.08647	2.7
71.52463	0.7
72.08154	0.7
72.63592	0.5
83.04999	0.6
85.10203	0.6
88.07639	18.3
88.58656	0.6
102.09194	13.6
102.09808	1.0
105.03408	13.8
105.07023	0.8
109.51804	0.6
131.04955	0.6
149.02382	8.9
149.06001	57.2
171.35869	0.6
181.06528	1.6
193.05005	8.3
219.06546	0.6
256.26376	41.7
280.93268	0.8
297.07635	10.8
334.15228	1.3
341.10245	49.3
341.96173	0.6
535.67462	0.7
570.34320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.01866	1.6
55.05507	4.3
55.23626	1.1
57.03430	2.5
58.06609	1.2
60.04544	1.2
61.02927	4.8
67.05519	5.7
67.05856	0.9
69.03439	8.7
69.07079	9.4
70.06597	6.5
71.04996	5.2
72.08125	1.2
73.02905	2.8
79.05489	4.5
81.03422	4.5
81.07061	18.0
83.04995	2.0
83.08623	4.5
84.04512	2.1
84.08134	3.5
85.02913	54.7
86.09697	1.6
87.04455	4.7
91.03959	2.2
91.05493	7.2
93.07050	11.8
95.08613	25.9
97.02905	13.1
97.06524	2.9
99.04448	2.5
101.06007	1.2
102.01785	1.2
105.07044	23.0
106.05038	1.6
107.08601	12.6
109.02890	4.2
109.10167	15.0
110.07181	1.2
111.08093	2.9
115.07568	4.0
116.07083	2.3
119.08589	48.2
121.10144	8.1
123.04410	1.5
123.08109	1.8
123.11732	3.6
127.03929	11.9
129.10225	1.2
131.08556	1.2
133.10144	30.3
135.11720	10.9
137.09624	3.5
137.13260	4.4
145.04970	22.9
147.04416	1.7
147.11702	11.5
149.13231	5.1
163.06013	9.0
163.14816	3.3
165.16411	4.0
175.14841	100.0
177.05615	1.2
193.15898	98.1
211.16957	35.1
222.11842	1.2
228.10204	2.3
229.17990	8.3
230.08301	1.6
231.36711	1.1
241.08739	3.3
243.10246	4.0
246.11156	1.3
255.49608	1.0
270.07397	1.3
291.06644	1.1
292.06592	2.3
310.49368	1.0
316.11792	2.1
325.11258	2.1
336.09085	2.1
378.09946	1.5
408.16931	1.3
483.11475	1.1
490.17557	1.3
520.62988	1.2
534.19812	7.3
570.15887	2.0
570.24078	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52714	18.8
77.47310	13.4
86.50631	13.2
93.07038	35.3
107.08604	41.7
122.16595	15.2
125.97679	13.6
129.65457	13.3
135.11722	31.0
135.28073	14.2
137.05981	73.7
141.10220	13.5
151.07568	50.1
171.48344	13.9
174.06860	29.2
175.07561	93.3
177.94165	12.9
179.42545	13.2
187.07631	24.3
189.09134	100.0
201.09059	27.0
205.08621	20.3
219.10201	35.7
249.11333	28.7
298.76437	15.7
337.14401	26.8
355.15463	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	570.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.7
55.05510	4.0
58.11261	2.2
67.05488	2.7
71.53011	3.2
78.71497	2.4
79.05494	5.6
81.03416	2.9
82.28273	3.0
85.06523	2.4
91.05477	8.0
93.07050	79.6
93.07640	3.9
95.05000	3.0
98.77055	2.5
105.07051	3.6
107.08598	30.4
115.05465	3.8
119.08583	2.9
124.19533	2.5
129.07025	4.5
130.04181	2.1
131.22263	2.6
135.04451	5.0
135.11702	100.0
135.20950	2.6
136.05199	3.4
137.05977	31.2
145.06497	4.0
151.07539	34.8
157.06490	4.7
160.05188	8.2
173.06044	5.4
174.06795	10.2
175.07584	39.8
187.07578	12.1
189.09120	40.6
201.09140	15.2
203.07100	2.9
203.10555	2.9
205.08595	9.0
219.10158	15.5
231.10164	9.0
235.09651	10.3
248.88501	2.4
249.11266	17.5
284.10498	4.8
285.11203	3.7
325.14212	3.8
337.14453	14.8
355.15417	21.1
387.37231	3.0
441.75751	3.0
466.15720	2.5
471.98526	2.6
526.29248	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	570.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	20.9
67.05510	14.4
71.52972	17.0
79.05494	14.6
81.07074	57.5
91.05470	19.6
93.07066	66.0
105.07031	27.7
107.08573	20.4
109.10159	18.5
111.08096	17.5
121.10153	26.8
123.11733	30.1
131.05006	12.1
133.10129	20.8
135.04462	55.3
137.05991	36.1
145.06432	14.5
151.11194	37.6
169.12230	100.0
173.06027	72.8
175.07536	35.1
185.06006	27.7
187.07590	24.9
194.71342	13.6
203.07124	21.2
213.37943	12.1
233.08110	33.3
273.89673	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	570.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07080	27.4
71.05001	25.5
74.32399	11.2
81.07047	19.6
89.55478	10.4
91.05538	11.6
97.06532	40.4
118.38543	11.8
123.11724	17.3
135.04404	78.1
137.05991	70.9
143.04985	33.5
145.06500	14.6
151.11179	23.4
157.06520	11.2
169.12230	17.7
173.06020	100.0
175.07603	58.1
185.06018	44.2
187.07571	30.8
189.09138	14.5
203.07056	43.3
203.49828	11.5
217.08705	14.9
233.08144	75.5
235.09700	12.0
269.65323	12.6
280.24649	10.3
309.11179	19.1
339.12427	32.3
340.40012	11.4
380.02881	10.3
468.07440	12.5
570.30884	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.0
58.95549	4.8
59.88871	5.5
63.84354	5.1
67.05497	13.8
69.34560	18.3
69.34991	20.7
70.80962	4.3
70.96851	5.7
78.34338	4.9
79.05503	8.2
80.70449	5.3
81.03414	8.5
81.07047	15.3
91.05470	18.7
93.07051	80.9
95.04993	8.4
95.08620	28.8
97.79938	4.8
98.20762	10.1
102.09147	5.6
105.07038	11.6
107.08598	35.1
109.06530	8.5
109.10166	7.6
115.05460	9.5
115.90262	5.4
116.87951	4.8
117.07064	6.1
123.11694	5.7
129.06984	9.2
132.89009	4.7
133.10138	10.3
135.04437	100.0
135.11714	73.0
137.05995	48.2
139.56679	4.7
141.85712	4.3
143.04912	18.7
145.06499	18.3
149.02345	4.7
149.05989	19.5
151.03903	8.1
151.11180	10.6
157.06537	9.4
160.05243	9.0
161.06027	6.5
173.05997	75.3
175.07513	43.9
185.06003	27.6
187.07545	24.3
189.09119	10.2
203.07043	32.2
205.08591	7.9
215.07076	10.1
233.08047	17.9
235.09760	7.8
256.26328	20.0
269.07837	5.9
289.08713	7.7
321.11258	9.1
339.12265	10.2
341.10052	21.8
355.11908	7.7
570.33997	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21634	4.2
67.05495	19.0
71.09088	10.5
75.98243	4.5
79.05493	16.7
81.07073	43.0
82.29652	4.4
89.91193	4.1
91.05488	18.6
93.07049	24.2
101.47709	4.1
105.07018	20.0
107.08614	10.9
109.10149	8.8
115.05461	8.1
123.11713	23.0
131.04951	6.7
133.10135	18.9
135.04440	79.6
137.05968	39.1
143.04932	10.9
145.06471	12.8
151.11201	34.3
157.06500	8.9
160.05193	4.8
161.05974	5.3
173.06004	100.0
175.07578	31.2
185.06030	38.4
187.07614	24.2
189.09114	5.0
203.07050	44.8
205.08624	17.9
215.07040	11.9
233.08095	72.8
235.09624	19.0
274.16769	4.4
306.08972	4.5
321.11264	8.8
339.12311	22.8
352.07117	6.0
570.30676	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	570.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76078	15.5
64.48022	15.3
66.74516	14.0
67.05495	23.5
69.07076	27.7
70.68445	14.7
71.52670	18.7
79.05496	23.9
81.07049	46.1
85.77476	14.7
91.05478	17.7
92.43721	14.1
93.07028	51.2
95.04939	19.1
97.06540	21.9
102.66206	14.1
105.07114	17.9
107.08582	38.1
109.10124	26.7
111.08121	15.0
115.05483	20.9
123.11690	38.6
128.75195	14.4
133.10150	18.6
135.04420	100.0
135.11766	21.3
137.06041	82.8
143.04915	17.0
149.02316	64.1
151.03906	18.3
151.07538	31.3
151.11237	48.6
157.06470	21.5
169.12250	23.1
170.03975	14.3
173.06032	65.2
175.07535	29.0
185.06033	21.7
187.07539	27.0
201.05457	17.7
203.07068	35.5
233.08101	30.8
339.12143	28.9
355.11465	28.6
390.99933	16.3
507.23703	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01862	1.3
55.05511	0.7
57.03428	0.6
57.07076	0.6
58.06618	0.4
60.78968	0.3
61.02916	1.0
65.03947	0.5
67.05491	1.1
68.99780	0.7
69.03097	0.4
69.03433	6.7
69.07063	1.1
71.04984	0.9
73.02912	1.1
79.05499	0.8
81.03424	5.9
81.07059	5.9
85.02908	12.5
85.06535	1.2
87.00832	4.9
90.53976	0.3
91.03951	0.4
91.05495	2.1
91.23681	0.3
93.07041	0.5
95.04918	0.4
95.08615	3.7
97.02894	4.3
99.04453	2.2
99.08098	0.7
103.03941	0.5
105.01860	3.0
105.03393	0.6
109.02890	5.9
109.10142	0.4
111.04456	0.3
115.05461	4.8
117.01852	0.9
117.07025	12.6
119.08586	0.5
127.03923	10.4
129.01819	1.0
129.07008	0.9
131.08569	0.6
133.06479	0.9
135.11673	0.4
137.06067	0.3
137.13278	1.1
143.08539	0.6
144.05734	0.4
145.06490	100.0
147.02921	0.7
147.04472	0.5
147.08055	11.5
155.06142	0.4
156.82306	0.3
157.06511	1.4
159.02878	3.5
159.08075	2.2
161.09647	0.6
169.06502	2.6
171.08073	2.3
173.09647	0.9
182.07350	0.5
183.08185	0.5
185.09593	2.6
187.07555	5.0
187.11224	1.6
189.03911	0.6
197.09676	0.4
199.07594	0.7
199.11197	1.4
205.08572	0.4
206.19115	0.4
211.07491	2.4
213.03958	0.6
213.09230	0.4
213.12729	0.5
227.10570	0.5
229.46603	0.4
231.05009	2.0
235.07394	0.5
237.09038	0.5
253.08563	1.8
269.19040	0.9
287.20059	26.5
293.19403	0.4
311.19958	1.1
329.21094	1.2
353.21301	1.1
357.09613	1.2
375.10657	2.0
377.21210	1.3
393.11859	1.6
395.22092	1.1
428.98926	0.4
499.23172	0.7
517.23975	0.4
535.25372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.05520	25.1
57.07080	2.6
61.02922	1.8
67.05499	7.3
69.03441	7.0
69.07076	100.0
70.06597	6.4
71.05007	2.3
71.52370	2.4
73.02922	2.4
79.05492	11.4
81.03415	5.9
81.07072	12.9
83.04965	1.8
83.08627	3.4
85.02905	18.6
85.06552	17.9
87.00838	8.4
91.05486	25.1
93.07054	80.8
93.07642	4.4
95.04989	4.6
95.08614	9.8
97.02891	8.3
97.06550	5.7
97.10202	10.4
98.97579	1.8
99.04469	5.3
105.01883	18.0
105.04563	3.2
105.07043	14.7
107.04967	8.0
107.08608	59.1
107.09316	4.1
109.02891	6.3
109.06558	3.6
109.10162	8.9
111.11730	54.2
111.12448	3.7
113.30350	1.7
116.07113	3.7
119.08607	5.1
121.06509	3.3
121.10156	2.8
123.04471	4.0
123.11705	3.5
127.03934	17.5
128.07147	2.2
129.06966	2.0
131.04944	98.9
131.08569	4.5
133.06503	8.6
135.11700	77.9
137.06013	3.5
142.07820	2.8
144.05756	2.4
145.04993	7.2
145.06499	12.9
145.10164	4.0
147.04414	3.1
147.08098	6.7
151.07613	2.9
155.08571	5.8
157.06520	3.5
157.10147	9.3
158.07332	5.4
159.02855	3.3
159.08035	15.6
159.11783	2.1
161.06007	11.1
161.09656	2.4
163.07507	2.1
165.05499	19.1
169.10057	2.4
171.08078	6.3
173.09637	35.6
173.11021	2.5
177.05478	28.3
179.07004	9.4
185.09634	37.9
189.03952	3.2
189.05472	16.7
191.07019	3.3
193.08626	6.0
199.11229	3.6
203.07057	14.8
203.10698	4.9
205.08664	3.3
215.07112	1.8
217.08673	10.2
219.10210	21.7
231.05090	10.9
231.10173	34.9
241.15871	4.6
249.06036	5.4
284.09961	2.6
287.16437	6.6
548.85303	2.3
570.29602	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	570.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82436	1.1
55.01883	3.2
57.03440	1.5
58.06609	1.9
60.70665	1.4
65.03943	2.2
67.05499	1.5
67.39445	1.4
68.25911	1.3
69.03427	3.9
70.06606	6.3
72.08146	1.4
79.05493	4.1
81.03452	3.1
83.01323	1.2
84.08153	2.6
85.02913	9.8
86.09713	3.1
89.97530	1.5
91.05490	34.2
95.04964	1.7
97.02901	3.4
103.05463	11.8
105.03423	5.0
105.07046	15.1
107.04957	6.7
108.05784	1.9
109.06547	6.6
115.05474	4.6
117.07023	3.3
118.04171	1.5
119.04962	36.9
119.08615	2.8
121.06531	5.5
123.08103	3.8
127.03962	4.9
128.06201	2.6
128.07057	1.7
129.07024	3.5
129.10272	1.4
131.04944	16.0
131.08533	1.6
133.06511	16.3
135.04416	1.9
136.05159	3.9
137.06003	11.0
145.05042	1.7
145.06502	6.4
146.07295	8.5
147.04453	7.6
147.08095	3.8
149.05945	1.7
150.06766	1.3
151.07564	100.0
157.06482	2.1
159.08099	4.7
160.05115	2.4
161.04655	1.7
161.06000	33.8
161.09758	1.4
162.06769	8.3
163.07582	8.7
165.05478	1.6
165.09142	4.9
172.05244	3.0
174.06766	1.5
175.07567	23.3
176.08363	16.9
177.05528	1.7
177.09117	40.7
178.09869	2.7
179.07065	15.4
187.07568	19.5
188.08307	2.5
189.09123	5.6
189.58072	1.4
191.07095	3.5
193.08644	22.8
201.09219	3.4
203.10692	3.0
205.08609	7.1
217.08633	11.9
219.08377	1.4
219.10110	8.2
225.49693	1.3
231.10310	1.9
233.09706	1.7
233.11758	5.3
235.09737	1.9
247.07422	1.4
265.12265	3.9
274.10727	5.4
279.10083	2.4
291.06696	1.9
293.11755	4.0
294.12448	2.4
305.11899	2.5
310.12234	3.0
323.12708	1.8
324.13593	3.9
325.14404	22.2
336.09006	1.9
337.14490	8.8
339.15784	1.7
343.15482	3.7
355.15463	26.7
378.10239	6.5
402.03424	1.3
410.23032	1.3
554.09143	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
51.25751	1.5
53.03947	4.1
55.05515	10.9
57.07072	6.6
59.05011	3.1
65.03951	3.0
67.05513	14.7
69.03434	3.7
69.07076	12.7
71.38564	2.3
79.05501	21.3
80.06288	2.4
81.07064	34.5
83.05005	3.3
83.08622	4.8
85.06548	3.9
91.05489	46.0
92.06288	2.5
93.07053	52.8
95.04978	39.0
95.08619	27.0
97.06566	1.6
97.10188	1.7
103.05508	2.1
104.06247	1.6
105.04525	1.5
105.07042	82.0
106.07821	5.1
107.08607	47.6
109.06523	4.7
109.10167	16.2
111.08114	2.5
115.05503	2.9
116.06284	2.1
117.07024	29.3
118.07811	3.4
119.08594	93.3
120.09406	8.8
121.06534	3.0
121.10161	33.3
122.92767	1.5
123.08089	14.1
123.11730	6.9
125.09657	3.9
128.06210	10.9
129.07013	19.3
129.07909	1.6
130.07809	9.5
131.08583	50.5
132.09344	11.2
133.07791	1.4
133.10143	52.8
134.10934	7.4
135.08075	6.7
135.11736	18.2
137.09618	4.4
138.10394	12.1
139.11220	2.1
141.07047	6.3
142.07816	14.3
143.08582	44.7
144.09346	15.0
144.10220	1.3
145.10141	100.0
146.10881	5.0
147.08102	3.2
147.11700	26.7
149.09671	4.4
149.13321	5.2
151.11246	5.2
153.07034	3.5
155.08588	16.3
156.09369	17.1
157.10150	50.9
158.10890	12.9
158.11873	1.2
159.11703	36.9
160.12558	4.6
161.09602	3.4
161.13295	6.9
163.11261	2.6
165.06944	3.3
166.07736	2.6
167.08562	10.2
168.09377	6.6
169.10133	27.3
170.10915	8.3
171.11702	38.9
172.12552	7.2
173.13287	29.8
173.14706	2.3
174.14043	2.2
175.11211	2.5
175.14839	18.6
175.16254	1.4
177.12759	6.6
178.07909	1.5
179.08586	9.6
180.09422	4.9
181.10135	15.1
182.10927	9.6
183.11710	27.5
183.13249	2.3
184.12511	4.9
185.13266	29.5
185.14861	1.9
186.14035	6.9
187.11253	1.7
187.14859	12.7
188.15332	1.8
189.12868	3.4
191.14357	10.3
192.09360	3.0
192.15131	3.9
193.10062	8.0
194.10968	8.6
195.11702	18.5
196.12450	9.4
197.13283	25.9
198.14008	6.5
199.14822	14.1
200.15565	2.1
201.12840	4.6
201.16440	8.7
203.14392	3.7
205.10011	2.1
205.16074	1.6
206.10963	3.2
207.11722	10.6
208.12538	4.3
209.13283	26.0
210.14108	4.1
211.14880	17.8
212.15662	1.9
213.16435	7.2
215.14442	1.9
217.15900	6.6
219.11758	3.3
219.17494	3.1
220.12535	2.4
221.13295	10.5
222.14114	3.0
223.14812	12.2
224.15685	6.0
225.16400	8.6
226.17247	2.1
227.18054	2.4
229.15933	2.0
231.11847	1.8
231.17409	1.9
232.12469	2.2
233.13272	4.3
235.14882	5.8
236.15671	2.3
237.16402	10.5
239.18022	6.1
241.19562	2.8
243.17570	1.8
246.19942	1.6
247.14822	3.3
249.16516	4.4
251.18047	5.3
253.19551	2.7
255.17496	3.5
257.19110	4.2
259.20798	2.0
261.16425	2.8
263.18036	6.8
265.19662	5.9
267.21170	1.9
272.21497	2.3
273.16290	1.5
275.17981	3.8
277.19586	4.1
279.20996	1.7
283.20743	4.6
284.21613	1.7
285.22083	2.4
287.18219	1.5
289.19427	1.8
297.22079	4.0
300.92154	1.5
305.22623	2.7
323.23605	7.3
331.24231	2.1
333.25940	1.8
337.25339	3.5
338.26077	60.2
349.25446	2.5
351.26743	2.6
375.26691	2.1
409.17010	1.5
415.30554	1.6
420.30435	3.1
430.32413	15.9
458.35056	2.0
476.36520	28.1
568.42865	45.5
568.56854	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	568.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90863	2.5
55.05506	3.5
67.05504	3.4
69.03439	20.0
71.52316	3.1
79.05485	5.9
79.26005	2.5
81.07072	21.2
91.05460	4.0
93.07047	18.6
95.04941	7.0
95.08543	4.3
97.06512	3.5
101.50007	2.7
105.07024	7.4
107.08612	16.7
109.06518	23.2
109.10153	4.9
119.04041	2.7
123.08055	3.7
123.11710	8.5
133.10138	7.3
135.11720	4.2
137.05922	2.8
151.11206	100.0
168.33475	2.6
171.82222	2.5
259.25775	2.9
421.43988	3.0
568.32275	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	568.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.05515	9.0
57.03444	7.4
57.07058	4.6
67.05496	10.2
69.03444	31.9
69.07056	10.7
70.06587	5.2
70.49760	12.3
71.05013	23.2
79.05512	21.1
81.07067	100.0
83.08603	4.9
84.08150	4.1
85.02915	36.2
87.04465	17.7
91.05472	12.6
93.07054	39.8
95.04942	4.8
95.08621	28.5
97.02898	25.9
97.06503	4.3
97.10178	3.4
99.08051	3.4
105.07041	47.4
107.04954	5.3
107.08613	51.0
109.10161	41.2
115.03948	45.9
115.05409	4.3
117.07005	8.0
119.07813	6.0
119.08595	84.2
121.10149	15.1
123.11712	21.8
125.09632	7.2
127.03947	8.7
127.11209	31.0
127.92332	3.3
128.07088	5.1
131.08636	5.8
133.04974	50.6
133.10143	37.3
135.11707	86.4
137.06013	34.4
137.13274	7.2
143.10692	39.7
145.04970	8.1
145.06531	9.5
145.10127	4.9
147.11708	31.0
149.13275	9.4
153.12732	6.7
159.11745	5.7
160.05217	4.8
161.13239	18.0
163.14737	4.7
167.07085	17.6
173.05984	19.8
175.07545	43.5
177.05608	3.4
187.07565	17.5
190.06232	8.0
203.17982	81.4
205.08635	39.1
217.08661	11.9
221.19026	91.6
227.08199	4.5
235.09720	26.7
239.20055	5.9
240.09015	5.9
241.09799	7.9
253.09720	4.1
259.08234	8.3
265.10684	20.5
277.08926	5.7
281.09079	4.1
295.10376	15.3
299.10251	16.7
301.11203	4.0
313.11871	8.1
315.84222	3.8
341.13809	4.2
353.13672	5.9
353.23001	3.8
371.14948	13.5
373.13986	30.0
522.18915	4.5
550.18005	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	568.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34766	1.1
53.03939	1.8
55.05494	1.4
57.03436	2.6
57.08500	1.0
58.06612	2.6
61.02917	3.9
62.39680	1.1
65.21178	1.1
67.05507	2.8
69.03437	10.5
69.07079	3.9
69.18977	1.0
70.06603	2.6
71.04986	5.2
71.53625	1.5
72.08144	1.2
73.02921	2.0
79.05490	5.0
81.03400	4.0
81.07056	11.2
83.04966	1.3
83.08621	1.7
85.02439	2.2
85.02915	30.3
85.06528	4.4
86.09721	1.6
87.04480	2.5
88.80173	1.1
91.03992	1.7
91.05487	7.1
92.11777	1.1
93.07055	13.3
93.10311	1.1
95.04981	1.5
95.08612	14.8
97.02902	14.4
97.06541	1.4
99.04459	2.0
103.05449	1.2
105.07043	17.5
107.04971	2.3
107.08591	16.7
109.02901	2.9
109.06515	2.8
109.10149	4.1
111.04454	1.5
111.08089	3.9
115.07563	2.9
117.07038	4.0
119.08601	13.1
121.06527	3.7
121.10163	10.7
123.11713	8.1
127.03931	8.5
128.07092	1.6
131.08589	22.5
133.10123	12.0
135.08044	3.6
135.11717	9.8
137.05984	1.5
143.08556	1.4
145.04945	8.2
145.10117	13.2
147.04494	1.5
147.11662	6.3
149.05988	4.3
149.09612	3.2
149.13255	2.7
151.03926	3.2
158.10902	4.4
161.13245	8.8
163.06062	3.2
163.14830	21.3
167.07086	2.0
171.11707	1.3
173.13280	80.2
175.14827	8.1
177.05472	2.1
181.05002	3.1
188.97450	1.2
191.07030	1.2
191.14322	100.0
192.07368	1.4
209.08104	4.0
209.15387	35.0
210.08498	2.7
227.16434	45.7
240.08591	1.5
287.05286	1.2
293.17673	1.2
302.17468	1.8
305.17487	5.0
335.18466	5.3
353.19641	7.8
371.20676	78.0
372.20694	1.3
388.14835	2.9
389.21725	60.1
487.25082	1.3
524.24689	1.8
568.23737	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01857	0.6
55.05503	2.0
57.03436	0.6
63.02428	0.5
64.47771	0.5
65.03935	0.8
66.90970	0.6
67.05511	2.7
69.03420	1.8
69.07058	2.0
73.02934	0.6
79.05502	4.5
81.03410	1.3
81.07048	5.6
85.02914	3.1
87.00831	1.2
91.05484	8.3
93.07049	21.3
95.04965	1.5
95.08600	3.0
97.02907	1.2
99.04458	1.0
103.05499	0.7
105.01854	0.5
105.03389	0.8
105.07040	4.3
107.04939	1.1
107.08603	30.5
109.02895	1.5
109.06507	1.1
109.10160	6.2
110.50822	0.5
111.11731	0.6
115.05468	6.5
116.06228	0.5
117.06230	0.9
117.07024	13.5
119.06136	0.8
119.08601	2.0
121.10136	6.1
123.11719	11.2
123.17539	0.5
127.03893	2.2
128.06227	1.0
129.01883	0.6
129.07011	3.8
131.04916	0.6
133.06500	0.9
135.11699	41.6
141.06978	1.2
142.52930	0.5
144.05714	0.9
145.06494	100.0
147.08057	5.3
155.08575	1.0
157.06487	3.5
157.10077	0.8
159.02870	0.5
159.08049	4.6
161.09654	0.8
163.07538	2.1
167.08521	0.6
169.06480	3.2
169.10080	1.0
171.08096	3.9
173.09633	1.7
177.05525	0.9
179.08568	1.0
183.08037	7.1
184.01057	0.5
184.08795	0.8
185.09631	12.9
187.07677	0.9
193.10127	0.8
197.09589	2.7
199.11241	2.7
201.09157	0.5
207.11949	0.6
211.11182	5.2
213.12672	0.8
219.11746	0.5
225.12752	1.7
227.14407	1.0
249.16431	1.7
267.14627	1.1
267.17459	17.9
269.19080	0.5
285.18533	3.9
481.98450	0.6
550.25116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
54.13308	3.4
55.05518	5.7
56.38467	4.4
69.03424	5.6
70.06605	4.0
70.34499	7.0
70.34830	6.7
71.39187	3.2
79.05497	4.9
80.09375	3.2
81.03425	8.8
81.07050	5.1
85.02915	7.9
91.05508	4.7
97.02893	6.8
100.11268	22.1
101.11615	3.7
103.93123	3.6
109.02888	3.9
111.04423	6.1
115.05367	3.9
117.07081	4.0
129.07024	4.8
131.04910	4.3
135.04430	100.0
143.04945	12.2
145.06487	6.4
147.04434	8.9
149.06000	8.0
151.04012	4.4
151.07552	39.1
158.07445	3.9
161.09695	4.7
163.03886	5.7
167.07069	5.2
173.06018	43.8
174.06709	11.1
177.05511	9.0
177.09117	5.5
182.15431	8.2
185.05980	25.0
188.08376	4.9
189.09120	29.0
201.09096	26.3
203.07089	14.4
203.10727	6.7
210.14967	10.0
219.10297	5.5
231.10205	13.6
233.08051	17.7
235.47966	3.9
249.11249	7.0
272.48950	4.1
277.11801	3.9
282.08835	5.7
283.09641	4.5
289.08569	4.8
304.11017	6.1
305.11795	7.2
308.10245	7.0
323.12662	8.7
335.12939	20.3
337.14456	9.0
353.13782	38.5
361.86969	4.0
397.52267	4.0
558.92865	5.6
567.92883	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	566.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.7
55.01863	6.8
55.05499	15.1
57.03448	31.0
60.04521	7.1
67.05501	17.6
69.03431	42.6
69.07055	30.0
70.06598	62.9
71.04988	23.0
71.52439	10.2
79.05486	26.5
81.03416	29.1
81.07060	87.2
83.04989	12.9
83.08614	20.7
84.08147	15.1
85.02912	67.8
85.06527	14.5
86.09721	14.3
87.00817	31.9
87.04482	7.1
91.05478	21.1
91.99608	5.8
93.07043	75.2
95.05006	9.9
95.08614	100.0
97.02885	25.9
97.06506	32.1
99.04452	12.2
99.08093	18.9
100.32252	7.0
104.07088	16.5
105.01865	22.1
105.07036	50.7
107.04952	9.1
107.08588	75.4
109.02892	28.9
109.06543	5.9
109.10151	63.5
111.08070	24.3
113.09644	48.4
116.07095	63.6
117.07022	7.1
119.08575	39.3
120.08070	8.3
121.06527	16.1
121.10157	53.8
123.08051	10.5
123.11717	22.6
125.05972	11.6
125.09662	13.9
127.03939	33.8
127.07535	13.2
129.09157	30.3
129.10088	6.8
131.08591	19.1
133.10118	47.1
135.04402	10.4
135.11726	9.2
137.06009	14.9
137.13200	6.4
139.07565	54.5
143.07068	11.3
145.04970	12.0
145.10124	25.1
147.11722	42.7
149.09579	12.5
149.13274	84.0
153.09181	9.4
157.08655	28.8
157.09926	7.4
159.02785	7.5
159.11702	17.6
161.13222	14.0
163.14830	10.1
167.06976	9.1
172.51675	6.4
173.13281	7.8
175.11179	14.8
175.14864	6.7
177.16396	36.5
181.04933	14.5
183.11801	7.6
187.14799	33.1
189.12712	10.5
191.14349	9.0
195.17526	16.9
201.16402	14.1
203.17914	58.9
205.15936	24.4
219.17389	8.1
221.18980	41.1
223.16876	29.1
229.15852	18.3
231.04950	7.9
233.08217	6.6
239.20084	84.0
247.16946	58.6
265.17990	99.1
273.07675	6.5
283.19055	95.0
301.20081	65.4
317.07147	6.9
318.06833	9.0
326.11398	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	568.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01845	2.0
61.02931	1.6
64.02425	1.7
69.03430	5.1
69.56731	9.6
70.06595	7.3
71.28206	1.6
71.48895	1.5
72.08147	4.4
79.05482	6.8
81.03432	8.7
81.07041	1.7
82.06596	3.0
84.08104	1.5
85.02916	8.8
86.09728	2.0
87.04469	3.0
91.05474	5.0
94.04161	1.6
95.05000	2.5
95.08628	2.4
97.02893	3.7
100.07652	1.5
100.11255	3.2
103.05458	5.8
104.07134	2.2
105.07044	3.6
107.04974	14.7
109.06519	2.2
110.30941	1.4
115.05453	9.3
116.07090	3.4
117.07036	12.5
119.04961	1.4
119.97221	1.4
120.08110	1.4
121.06560	2.1
122.03652	2.7
123.04414	4.9
124.05213	2.9
125.06036	2.0
127.03940	1.9
128.06247	2.4
128.07060	9.2
129.07022	12.3
131.04932	5.4
131.08580	3.4
133.06514	2.4
137.05991	74.7
141.06998	2.1
143.04955	8.4
144.05696	4.4
145.06496	33.7
146.03575	1.8
147.08054	2.0
151.03909	11.3
151.07487	1.6
152.04219	4.1
153.05446	3.6
155.06046	4.8
156.05698	3.5
157.06528	6.6
159.08084	8.3
160.05206	14.6
161.06006	8.1
163.07574	2.3
167.07054	54.5
172.05177	4.3
173.05997	43.4
174.06689	3.4
175.07565	100.0
177.09116	1.8
180.08737	2.2
185.05945	2.3
187.07558	44.3
189.09123	6.2
190.06293	19.6
191.07022	4.1
193.08597	2.3
199.07515	3.1
202.06206	3.4
202.07957	2.3
203.07005	8.0
203.08687	1.9
204.07593	1.8
205.08621	85.2
206.07239	1.9
214.01251	1.7
215.06850	1.6
217.08629	35.0
219.08124	2.3
219.10217	2.6
221.09741	2.7
231.08049	1.6
234.06636	2.4
235.07912	1.6
235.09668	41.0
239.07161	2.7
241.08649	4.2
247.09689	8.0
249.09082	5.1
261.09204	4.8
263.06952	1.8
265.10745	30.8
277.08597	4.5
278.09329	3.3
281.11725	5.5
285.07532	6.0
289.08542	3.5
293.11725	5.1
294.08789	2.1
300.09872	7.8
301.10703	4.1
306.08746	1.8
307.09692	1.4
309.11154	6.7
313.10895	1.5
321.11169	8.3
323.08871	2.0
332.13339	2.4
339.12457	2.2
341.13885	22.5
350.14423	2.8
353.13843	19.0
370.13559	1.7
371.14886	27.6
387.14410	1.9
388.14542	3.2
448.66470	1.7
567.43170	4.4
568.27136	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	566.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
53.13941	0.4
55.01860	0.8
55.05506	1.5
57.03437	1.0
59.05010	2.6
59.66543	0.4
61.02914	1.1
67.05499	1.0
68.96176	0.3
69.03429	5.2
69.07076	2.5
70.06601	3.2
71.04985	1.1
71.52491	0.6
72.08154	0.6
73.02925	0.4
79.05511	2.1
81.03415	2.1
81.07071	3.1
82.16035	0.4
83.04981	1.8
83.08607	1.0
84.08143	0.8
85.02914	16.1
86.09692	0.7
87.04467	3.4
91.03983	0.4
91.05479	2.3
93.07050	7.4
95.04962	1.5
95.08626	4.2
97.02367	0.6
97.02905	5.5
97.06523	1.5
97.10158	0.4
98.05977	0.4
99.04469	1.3
101.06023	1.4
105.03397	0.7
105.07048	5.4
107.08605	9.9
109.02869	2.3
109.06525	2.3
109.10166	1.5
111.08059	2.1
113.05989	0.9
116.07084	2.0
119.08591	6.4
121.06497	0.8
121.10155	4.9
123.08071	4.0
123.11749	0.5
127.03929	3.4
131.08588	0.9
133.10133	2.9
134.87047	0.4
135.08063	0.6
135.11696	0.5
137.05980	2.4
137.09596	2.1
139.11182	6.4
141.09111	0.8
143.08560	0.6
145.04991	3.2
145.10161	1.3
147.08054	1.5
147.11708	4.9
149.09625	1.8
151.07597	2.9
151.11197	11.0
156.09296	1.1
159.11729	1.9
161.09689	0.7
161.13272	8.4
163.11197	0.4
165.09213	0.5
165.12784	1.8
171.11708	3.1
174.10410	1.1
177.12769	2.4
179.14297	1.3
189.12755	11.9
201.09200	0.5
207.13821	36.3
223.13341	0.4
225.14871	100.0
233.11839	0.6
243.15913	1.6
248.98132	0.5
309.16986	0.5
310.07767	0.5
333.17114	0.8
338.07062	0.6
344.68738	0.4
351.18115	1.3
368.08368	1.0
369.19153	5.7
387.20166	21.7
392.17050	1.0
396.62546	0.5
404.46039	0.5
486.80545	0.5
566.20984	0.8
566.29437	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	565.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	6.6
55.01866	5.6
55.05516	20.5
55.71361	3.0
57.03445	9.5
57.07086	32.7
65.32626	3.2
67.05515	44.0
69.07091	7.8
71.01361	3.2
71.08644	23.3
71.52038	2.7
71.52536	5.5
79.05511	20.7
81.03416	24.5
81.07066	32.8
81.37454	2.8
83.05010	5.9
83.08616	16.3
85.10195	12.1
91.05493	22.1
93.07054	22.9
95.04980	50.3
95.08636	28.6
97.06514	5.1
97.10163	5.8
105.07035	24.8
107.04971	11.9
107.08604	23.7
109.02892	10.0
109.06529	7.4
109.10172	13.5
116.07062	3.4
117.07023	9.0
119.08611	21.0
121.06528	5.2
121.10159	20.1
123.04446	65.6
123.08075	4.8
123.11726	6.6
125.09665	3.8
129.07024	10.9
131.05055	4.7
131.08591	12.7
133.10124	13.0
135.08087	7.4
135.11700	9.3
143.08592	10.1
145.10141	21.7
147.08052	8.9
147.11694	6.3
149.09555	3.3
153.09113	6.3
155.08565	5.3
157.10139	12.7
159.11688	7.0
163.11217	22.5
167.10693	4.9
169.10129	3.7
171.11710	16.9
173.09651	7.4
173.13287	4.1
177.92323	3.1
183.11780	4.1
189.12788	13.1
195.11589	3.8
197.13191	4.5
207.11935	4.7
207.13844	14.1
217.12213	9.2
221.13315	3.4
223.14922	4.0
235.13322	86.9
235.15633	6.2
239.23830	6.8
253.14284	4.2
309.17001	65.5
313.27414	100.0
547.39966	78.2
565.40491	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26384	0.4
62.33738	0.5
66.45621	0.4
71.52802	0.5
74.02455	0.5
85.02879	0.5
91.05492	1.0
115.05470	1.2
116.36707	0.4
117.05787	0.8
117.07021	1.1
118.05707	1.0
118.06549	19.1
130.06522	1.2
132.08105	5.3
142.06528	2.0
143.07274	2.4
144.04433	0.7
144.07185	0.3
144.08089	12.2
146.06018	61.8
159.09177	6.4
160.07585	1.4
163.03922	0.7
170.06036	4.0
184.63324	0.4
188.07076	100.0
189.07364	0.8
193.25885	0.4
201.10236	0.5
201.73376	0.4
205.09737	46.7
318.87238	0.4
335.57043	0.5
501.84735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
53.03944	3.7
55.01864	3.6
57.03424	1.2
57.12017	0.7
58.06610	1.0
61.02924	1.6
63.38083	0.8
65.03951	1.9
67.05503	2.4
68.99793	1.3
69.03432	8.4
69.76736	0.9
70.06591	0.8
71.04974	1.1
71.52647	1.9
72.08141	1.9
77.03952	1.0
79.05495	9.7
81.03424	27.2
81.07053	2.7
85.02914	15.2
91.05503	4.8
93.03372	0.9
93.07051	1.3
94.04183	2.3
95.04980	2.7
95.08607	1.1
97.02907	5.8
99.04401	0.8
103.05450	2.1
105.03388	1.9
105.07044	2.9
107.04975	5.3
107.08589	2.7
108.05734	1.7
108.08907	1.2
109.02876	3.1
109.06507	2.9
110.03647	1.9
115.05461	3.0
117.07034	3.1
119.04949	1.8
119.08582	1.7
121.06490	2.6
122.03638	2.6
123.04462	2.4
124.05199	2.0
125.05994	3.7
126.03092	0.8
127.03929	4.4
128.06248	2.2
129.07008	5.4
131.04929	2.4
131.08586	1.6
132.05811	0.9
133.06525	2.0
133.10101	1.4
135.04417	12.4
136.05197	7.4
136.07501	0.8
137.05981	3.8
139.07553	6.7
141.05496	1.3
143.04935	2.1
144.05652	1.3
145.02853	1.9
145.04929	1.6
145.06490	6.3
146.07233	2.0
147.04416	1.9
147.08046	1.1
149.02350	2.9
149.06006	1.2
149.09648	1.8
151.03937	13.2
151.07556	83.4
152.04732	1.5
153.01813	3.1
153.05476	1.6
155.07097	5.3
157.06471	4.7
158.07303	3.5
159.04463	1.2
159.08093	2.8
161.05943	4.1
161.09662	4.1
163.03932	1.1
163.07509	1.5
165.01884	1.8
165.05487	83.1
167.03378	0.9
167.07059	27.3
171.04485	2.1
172.08821	6.4
173.05969	14.6
174.06746	7.1
175.03926	3.5
175.07555	3.9
177.05490	4.1
177.09135	2.5
179.07074	4.9
181.04976	33.2
185.06075	1.8
186.06758	2.6
187.07552	4.2
188.08356	7.9
189.05495	6.7
189.09142	13.2
190.06235	4.3
191.07036	2.1
191.10652	3.3
193.08591	1.9
195.06561	1.7
201.05450	8.2
201.09152	3.3
202.06160	1.5
203.07094	5.5
203.10689	16.5
204.07808	1.3
205.08611	13.3
213.05452	1.4
217.08620	100.0
218.05719	1.7
219.06557	3.1
219.10184	16.0
229.05055	1.5
229.08640	3.6
231.06419	4.5
231.10139	1.4
233.08017	5.7
235.07520	1.4
235.09642	11.9
246.18578	2.8
247.07153	1.5
247.09686	29.3
247.18939	1.7
249.07535	4.7
263.09109	6.7
265.10654	4.0
271.09686	2.0
277.08572	1.0
278.09280	1.2
281.10294	1.0
286.74017	0.8
289.08597	1.1
291.10138	1.4
293.08133	1.0
293.11584	1.1
302.04294	1.7
303.10150	1.1
304.10938	1.2
305.11725	1.0
307.09601	1.5
309.11334	1.8
310.25385	0.8
313.10861	1.5
314.08035	1.6
314.11456	4.7
317.06580	11.9
321.11209	2.3
323.09073	1.1
324.13620	2.3
325.10693	1.9
327.05167	1.4
328.05334	2.8
335.09094	1.3
335.12796	3.7
336.13550	4.9
337.10669	1.6
337.14310	1.4
339.12106	2.1
339.15979	2.8
340.13004	1.6
349.10541	1.0
349.14328	1.7
355.11682	2.7
355.15442	9.1
367.11584	6.7
367.15536	8.4
373.16583	2.3
385.12592	12.5
385.16507	28.8
387.18295	1.2
403.13620	4.0
403.18091	13.9
547.22046	5.4
565.21930	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	565.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01869	3.2
57.03436	3.0
61.02928	2.8
63.84801	0.9
69.03445	9.4
69.07859	0.9
69.79021	1.7
69.79430	3.7
70.06593	5.3
72.08162	2.0
73.15579	0.9
73.21836	0.8
79.05497	2.2
81.03426	12.1
81.07081	1.4
84.08147	2.3
85.02909	19.8
86.09699	1.2
89.74513	1.2
91.03918	1.2
91.05479	1.6
95.01346	1.6
95.04967	3.3
97.02905	6.8
98.20821	1.0
103.05474	3.8
109.02912	2.4
110.03667	6.1
110.65430	0.9
112.55797	0.8
115.05464	5.6
116.07140	1.6
117.07040	3.0
120.08101	1.2
123.04417	7.1
124.05225	1.7
125.02374	2.3
125.06001	13.4
125.52401	1.1
127.03951	5.4
128.06223	3.0
129.07013	20.1
129.10271	1.3
131.04965	7.5
133.06517	1.1
135.04425	45.4
137.02362	1.3
137.05983	1.4
137.79147	1.0
139.07518	6.8
140.04697	1.7
143.04968	5.2
143.73036	1.0
145.04985	2.7
145.06453	4.7
145.19623	0.9
147.04449	2.1
149.02370	15.1
151.03897	5.2
151.07570	2.1
152.04668	4.3
153.05458	4.4
155.05074	1.3
155.07045	24.0
155.08273	1.9
157.06508	15.0
158.37276	0.9
159.04402	2.6
161.06012	4.1
163.03934	1.2
167.07056	48.1
172.05167	1.0
173.06020	18.6
173.07448	0.9
174.06845	1.1
175.07582	2.8
177.05504	2.3
177.09079	1.1
179.07068	3.0
181.04970	100.0
183.06573	1.2
185.06075	4.5
186.06747	1.2
187.07565	17.5
188.08322	1.1
189.05475	10.0
190.06259	2.6
191.07063	3.9
195.06619	1.3
201.05495	34.1
202.06245	1.6
203.05272	1.6
203.07043	13.5
205.08623	2.7
206.05766	1.4
207.06487	1.9
209.08076	1.9
213.05533	2.1
215.07149	1.7
218.05797	10.7
219.06546	13.1
221.08121	2.8
225.07396	1.1
231.06508	13.6
233.08112	37.5
235.09663	3.8
249.07692	3.5
251.06865	1.3
251.09146	6.0
263.06561	1.6
263.09158	20.6
275.07132	1.2
277.08636	1.4
291.06506	1.4
293.07919	1.3
295.09842	1.3
307.09836	1.7
309.10916	1.3
313.07117	0.9
321.07632	1.1
321.11166	1.4
323.09122	2.8
324.09888	3.0
325.10712	3.4
335.09216	1.9
336.09875	1.5
337.10785	1.8
339.12268	3.8
340.09018	1.1
349.10587	2.2
352.09665	1.4
355.11731	10.4
367.11807	10.4
373.12903	3.7
385.12833	41.5
387.14328	3.2
403.13864	19.2
511.23679	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89858	0.9
53.03936	3.5
55.01865	1.6
55.05508	0.9
61.02924	1.6
65.03928	1.9
67.05488	2.6
69.03436	6.1
69.58983	5.6
71.04983	1.1
72.08150	2.1
79.05506	6.0
81.03423	56.3
81.07059	1.5
83.04966	1.0
85.02911	10.5
91.05482	4.1
93.03426	1.0
93.07020	1.9
94.04205	1.2
95.04956	1.4
95.40643	0.8
95.45441	0.8
97.02905	4.1
99.04469	1.3
103.05447	1.3
105.03429	1.0
105.07021	3.4
106.50217	0.8
107.04967	4.0
107.08617	1.7
108.05740	1.2
109.02880	1.9
109.06506	1.3
115.05452	1.2
117.03389	4.2
117.06945	1.0
119.04933	1.6
119.08545	1.1
121.02825	1.8
121.06507	2.0
122.03671	1.5
123.04450	1.1
125.06017	1.0
127.03905	3.6
128.06264	1.6
129.06999	1.4
131.04907	1.9
131.08516	1.4
133.02895	1.9
134.05942	1.0
135.04408	2.3
136.05165	3.2
137.05969	1.9
139.07561	2.4
145.02863	8.6
145.06461	5.7
146.07202	1.6
147.04419	3.1
147.08066	1.5
149.02390	1.3
149.06027	1.9
151.03926	24.1
151.05037	1.0
151.07545	46.2
153.01822	2.7
153.05415	1.0
155.07076	1.9
157.06485	1.9
158.07291	2.4
159.04356	2.2
159.08081	2.3
159.33588	1.0
160.05237	0.9
161.05945	2.1
161.09615	3.1
163.03911	2.0
165.01886	4.5
165.05492	50.2
167.07066	8.0
171.04436	1.1
172.08791	3.6
173.05981	8.3
174.06743	5.9
175.03920	8.3
175.07468	2.1
177.05493	23.8
177.09062	2.4
179.07065	2.5
181.04985	5.0
185.05977	1.5
186.06761	0.9
187.07524	1.9
188.08299	4.4
189.05460	3.0
189.09148	8.3
190.06242	3.4
191.03305	1.0
191.07086	1.4
191.10645	2.2
195.06488	1.3
201.05476	2.6
201.09167	2.3
202.06201	2.3
203.07079	1.1
203.10654	8.5
205.06831	1.1
205.08632	15.1
217.08615	100.0
218.09206	1.5
219.08084	1.9
219.10161	31.2
229.05055	1.5
229.08606	1.9
233.07925	1.3
235.09660	13.3
246.18446	1.3
247.05945	1.9
247.06973	1.5
247.09694	30.6
247.18823	1.9
265.10742	5.3
277.08652	1.3
279.10126	1.0
291.06345	1.5
302.04001	1.6
306.08762	1.2
307.09662	1.6
309.10986	1.7
314.07831	2.2
314.11459	1.7
317.06586	13.6
323.09155	1.6
324.13577	1.0
327.05139	1.3
336.13663	1.2
337.10608	2.5
339.12521	4.2
340.13159	1.1
351.12100	1.2
355.11728	4.5
355.15445	2.3
367.11682	8.6
367.15579	1.8
385.12466	18.5
385.16629	6.7
403.13419	5.7
403.18253	2.1
547.20129	2.9
565.22498	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.6
54.32289	0.7
55.01878	1.5
57.03452	1.3
61.02938	2.7
61.73918	0.6
64.14401	0.6
65.24652	0.7
67.67240	0.6
69.03446	6.7
70.06200	0.7
71.05025	1.4
72.08159	0.9
73.02925	0.9
79.05512	3.0
81.03426	10.4
81.07078	1.9
85.02920	17.4
85.03439	1.1
86.09731	2.8
87.10037	1.0
91.05515	2.3
93.07049	0.9
94.85947	0.7
95.01334	1.1
95.04991	1.4
95.69463	0.7
97.02906	5.8
99.04479	1.0
103.05481	1.7
105.03407	1.0
105.07009	1.2
107.04967	1.1
107.08609	0.8
109.02909	3.8
109.06518	1.1
110.03668	4.7
111.08085	1.8
115.05474	3.7
117.07036	2.6
119.04933	1.3
119.08569	0.9
123.04465	0.9
124.05234	2.5
125.02380	2.7
125.06012	12.6
127.03938	7.3
127.58936	0.7
128.06213	2.3
129.07008	6.8
131.04930	4.0
135.04436	16.1
137.02376	2.0
137.05969	1.5
139.07541	7.6
143.04958	4.5
145.04987	2.1
145.06512	5.3
147.04445	2.1
147.08052	1.5
149.02376	6.2
149.05989	0.8
150.19777	0.7
151.03958	1.7
151.07545	2.4
152.04700	8.2
153.05486	3.2
155.04921	1.0
157.06506	11.9
159.04446	2.7
161.05988	3.5
167.07063	98.0
171.04451	4.6
173.06006	17.1
175.03912	3.9
175.07535	1.9
176.04274	1.1
177.05577	1.7
179.07008	1.9
181.04980	100.0
183.04462	1.0
185.06027	5.6
186.06808	2.1
187.07599	6.2
189.05498	20.8
190.06236	0.9
191.07030	2.3
195.06644	0.9
198.70645	0.8
201.05486	13.9
202.06200	1.1
203.07033	12.3
205.08598	1.7
206.05779	1.0
207.06500	2.7
207.10217	0.8
213.05452	2.3
218.05688	1.1
219.06546	9.3
221.08092	2.9
225.07559	1.1
231.06554	19.3
233.08061	2.8
235.09674	23.6
245.08125	1.3
249.07620	25.5
251.09128	2.1
263.06607	1.3
263.09195	17.3
265.08618	1.0
277.08499	1.2
281.10245	5.4
293.08023	2.1
294.08945	0.9
297.14954	0.9
299.05307	0.9
299.15475	0.9
302.04282	1.0
305.08063	1.0
306.08844	1.0
309.10959	1.2
311.09100	0.9
317.06613	20.9
321.11057	1.3
323.09299	3.5
325.10989	3.4
335.09018	1.2
337.10852	1.8
339.12250	3.1
349.10629	2.1
355.11795	4.5
367.11792	10.8
373.12766	1.9
385.12891	20.5
387.14395	1.7
403.13928	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	565.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
53.70503	1.7
55.01860	3.2
55.05502	2.0
57.03420	1.4
58.06591	1.5
61.02917	3.4
63.39811	1.6
65.03926	1.8
65.44375	1.3
67.05491	4.6
69.03429	6.3
69.07068	1.9
70.06592	2.4
70.71476	1.4
71.04968	2.3
71.54240	1.5
72.08141	4.2
79.05499	10.0
81.03435	17.5
81.07053	5.1
85.02921	15.0
85.06545	2.9
86.09723	2.3
89.03890	1.6
91.05484	6.0
92.05842	1.7
93.07018	5.6
95.04965	4.5
95.08609	2.7
97.02896	6.7
99.04484	3.7
103.05495	2.4
105.03390	9.4
105.07035	3.7
106.02938	2.1
106.03695	1.8
107.04967	2.6
107.08604	6.5
109.02867	3.6
109.06535	1.7
109.10135	2.5
110.03658	4.1
111.08104	2.0
115.05444	6.2
117.07026	3.4
119.04943	3.5
119.08611	3.1
120.08125	2.3
121.06539	4.8
121.10104	1.6
123.04398	3.6
124.03932	1.4
124.05215	1.8
125.02405	1.7
125.06006	12.7
127.03938	8.5
128.06177	2.0
129.07010	6.1
131.04933	4.8
131.08540	2.2
133.02847	1.9
133.06493	3.6
133.10139	2.2
134.05992	4.0
135.04428	21.3
135.06384	1.7
136.04842	1.9
137.05952	5.2
139.07542	11.4
143.04916	4.0
145.02849	3.0
145.06454	6.0
145.10036	1.9
147.04404	6.7
147.08047	1.9
149.02338	8.4
149.06001	1.6
151.03923	12.3
151.07481	7.1
152.04672	4.7
153.01813	5.8
153.05525	3.3
155.04840	1.7
157.06500	12.0
159.04395	3.9
161.05992	4.3
163.04016	2.7
163.07593	1.6
165.05487	5.9
167.07060	89.1
171.04486	5.2
173.06017	19.1
174.06735	1.5
175.03912	3.1
175.07547	2.6
177.05486	8.4
179.07066	3.4
179.08463	1.9
181.04974	100.0
182.15489	1.9
185.05936	4.5
186.06790	2.8
187.07544	7.4
189.05498	19.6
191.06999	1.9
193.08641	1.7
195.06456	1.5
201.05486	15.2
203.07047	14.4
205.08565	4.2
206.08443	1.7
207.06546	5.6
213.05510	3.2
215.06911	1.8
217.08575	12.2
219.06520	9.1
221.08090	2.4
231.06598	15.6
233.08089	4.3
235.09700	16.9
246.18642	3.8
247.09703	3.5
247.18842	2.1
249.07552	18.1
251.09091	4.0
263.09238	15.6
273.04092	1.9
274.04474	1.8
277.08600	1.9
281.10300	2.8
289.50272	1.4
294.08789	1.7
302.04196	6.4
307.09552	2.7
314.08038	2.1
317.02872	2.7
317.06598	51.6
321.11218	2.2
323.09106	2.5
325.10687	3.5
327.04898	2.0
328.05280	2.4
335.09146	1.6
339.12204	6.1
341.15787	2.8
349.10577	2.8
355.11743	5.2
367.11801	11.0
373.12680	3.9
385.12851	20.7
403.13797	5.8
408.11307	1.6
547.21246	6.4
565.13733	1.5
565.22101	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	565.1919
Annotation	Cascaroside C
Peak:m/z	Relative Intensity
53.03937	2.4
55.01869	2.5
57.03441	1.6
60.37638	0.9
61.02912	2.7
65.03933	1.1
68.99780	0.8
69.03439	10.1
69.58045	3.9
73.02923	1.0
79.05502	1.7
81.03428	11.4
85.02913	18.5
91.05516	0.8
95.01335	1.4
95.04961	1.9
97.02910	6.6
98.21563	0.9
103.05486	2.0
107.04966	0.8
109.02888	3.1
110.03667	3.9
115.05458	3.2
117.07016	2.3
123.04462	6.5
124.05193	2.4
125.02353	2.1
125.05180	1.0
125.06017	10.5
127.03926	5.8
128.06241	1.5
129.07013	17.0
131.04944	4.9
135.04430	41.1
138.03180	1.1
139.07562	4.7
140.04683	1.0
143.04919	4.2
145.04985	1.8
145.06491	2.6
147.08124	0.9
149.02354	12.6
151.03917	5.3
151.07559	2.8
152.04669	3.3
153.05479	4.4
153.06589	0.9
155.03421	0.8
155.07039	21.0
157.06509	13.8
159.04417	3.2
160.05121	0.8
161.06013	2.4
163.03854	0.9
167.07056	42.0
169.01318	2.8
171.04393	2.0
173.05994	17.3
174.06656	0.9
175.07579	2.0
179.07030	3.1
181.04973	100.0
183.06551	0.7
185.06010	3.0
187.07545	17.1
189.05473	8.8
191.07077	2.5
201.05478	29.8
202.06264	1.3
203.07074	13.1
205.08633	1.9
206.05670	1.3
207.06564	2.8
209.08099	1.6
213.05421	1.9
215.07034	1.4
217.08594	0.7
217.71190	0.8
218.05763	8.3
219.06557	12.0
219.08525	1.1
221.08107	3.0
231.06557	13.8
233.08116	34.9
235.09650	2.2
245.08124	1.6
246.05347	0.7
249.07664	3.3
251.09161	4.9
251.85155	0.8
263.06583	1.7
263.09183	17.7
265.08667	1.0
274.04657	1.0
277.08722	1.5
281.10284	1.6
291.06549	0.7
293.07962	0.9
294.08878	1.1
294.16187	0.8
299.05481	1.0
317.06598	36.1
321.07968	0.9
321.11423	1.3
323.09116	3.2
324.09833	1.9
325.10654	2.9
335.08899	1.4
336.09891	1.4
337.10779	2.1
339.12259	2.8
349.10651	1.7
352.09409	1.2
355.11707	6.9
367.11722	9.7
373.12726	4.9
385.12875	39.9
387.14545	2.7
403.13959	18.7
441.37970	0.9
565.11829	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1194
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03939	0.7
55.01875	0.3
57.03431	0.5
61.02908	0.7
65.03940	0.3
68.99789	0.5
69.03437	6.8
69.78160	0.2
70.06576	0.5
70.54946	0.4
71.01343	0.2
71.04980	0.6
72.08145	0.2
73.02905	0.7
81.03422	4.7
84.08154	0.2
85.02908	3.7
85.03692	0.2
87.00838	3.8
91.03951	0.6
92.02622	0.9
93.02905	0.1
93.03404	0.9
97.02900	4.0
99.04460	1.0
105.01871	1.3
109.02887	2.1
111.00803	0.2
117.01865	1.1
121.02877	1.0
122.50032	0.1
126.03160	0.3
127.03937	3.7
137.02362	0.2
137.06010	0.2
139.03879	0.7
145.04964	1.0
145.06012	0.1
145.06360	0.1
151.03906	0.8
153.01840	6.4
157.76991	0.2
159.02908	3.4
163.03891	0.2
165.01836	0.5
177.05402	0.3
187.60818	0.1
190.06288	0.2
192.34807	0.2
200.04695	0.2
201.05492	0.6
203.03362	0.2
213.03917	0.4
217.04942	0.8
218.05789	0.5
228.04172	1.2
229.04999	2.6
231.02820	0.4
231.04980	2.8
243.06520	0.2
245.04469	0.9
246.05260	1.5
257.04474	2.3
260.03223	0.3
261.07590	0.3
271.05978	0.2
273.04007	1.5
274.04745	3.6
284.03125	0.5
285.03964	4.7
286.04642	0.2
288.06192	0.2
301.03491	0.3
302.04239	11.1
316.05887	0.2
317.06580	100.0
318.06927	0.7
373.16675	0.2
388.01923	0.2
543.17963	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86490	0.3
53.03939	0.8
55.01873	0.6
55.05519	0.3
56.23374	0.3
60.04548	0.3
61.02921	0.8
67.05485	0.4
69.03432	11.4
69.25865	0.3
69.95638	0.3
70.06609	0.4
71.04968	0.6
72.08131	0.4
73.02905	0.5
81.03415	4.9
81.06982	0.3
82.03225	0.3
85.02909	6.1
87.00829	2.9
91.05464	0.5
92.02626	0.4
93.03416	0.7
93.07053	0.5
95.04991	0.5
95.08573	0.3
97.02298	0.5
97.02898	8.3
99.04458	1.1
103.46156	0.3
105.01874	1.1
105.07014	0.4
107.60034	0.4
109.02880	3.2
116.07095	0.4
117.07005	0.4
119.04914	0.4
121.02851	1.2
127.03923	5.8
131.04890	0.5
132.05746	0.5
133.02805	0.4
137.05963	0.5
139.03920	0.5
145.04984	0.9
147.04390	0.8
151.03911	1.1
153.01826	6.4
159.02887	0.9
165.01814	0.5
167.07089	0.4
175.04007	0.4
177.05504	0.5
181.04906	0.3
187.31667	0.3
191.06992	0.5
192.07741	1.2
193.08296	0.8
201.05444	0.5
207.06497	0.6
217.04851	0.4
218.05664	0.5
228.04153	1.3
229.04987	2.9
229.47110	0.4
231.04964	3.8
245.04498	1.1
246.05266	1.3
257.04477	2.1
261.07724	0.4
273.04044	1.7
274.04773	3.5
285.03949	3.6
302.04227	10.7
317.06564	100.0
318.07022	0.7
329.06488	0.4
355.11212	0.3
488.27289	0.3
565.19897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1195
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03937	0.1
55.01858	0.2
55.05500	0.1
57.03405	0.1
57.08690	0.1
57.96915	0.1
60.22913	0.1
62.36064	0.1
65.03931	0.3
67.05486	0.1
68.99789	0.3
69.03435	0.5
70.06577	0.2
71.05025	0.1
72.08150	0.2
73.02885	0.2
79.05490	0.2
79.29956	0.1
81.03423	0.6
81.07056	0.2
84.08146	0.1
85.02478	0.1
85.02911	0.8
86.09644	0.1
87.00817	0.4
91.05482	0.2
92.02622	0.7
93.03424	0.9
93.07024	0.2
95.04947	0.2
97.02911	0.5
98.21513	0.3
99.04442	0.2
105.01869	0.3
105.07043	0.1
109.02864	0.6
109.23973	0.1
111.00784	0.3
115.03857	0.1
119.04890	0.1
119.08552	0.1
120.02039	0.1
121.02877	1.1
123.04442	0.1
126.03142	0.5
127.03946	0.8
135.04399	0.3
137.02364	0.5
137.05972	0.1
139.03900	0.5
145.04922	0.2
145.06519	0.1
147.04413	0.2
149.02383	0.1
151.03917	1.2
151.04993	0.2
151.07513	0.1
153.01840	7.0
154.02275	0.1
155.04773	0.1
159.02890	0.2
161.05891	0.1
163.03928	0.5
165.01846	0.8
166.02589	0.1
173.06003	0.2
175.07439	0.1
177.05515	0.5
181.04898	0.1
183.02867	0.2
183.04312	0.1
187.06001	0.1
188.78790	0.1
191.06859	0.1
200.04668	0.3
201.05495	0.9
203.03407	0.4
215.07420	0.1
217.05006	0.6
218.05751	0.4
219.02937	0.2
228.04160	1.2
229.04993	2.9
229.29645	0.1
231.02876	0.5
231.04871	0.2
233.04515	0.2
243.06528	0.2
245.04515	1.1
246.05251	1.7
246.18704	0.1
256.03708	0.3
257.04459	2.0
260.03201	0.4
261.07593	0.3
267.24344	0.1
271.06091	0.4
273.03912	1.6
274.04755	4.4
284.03088	0.5
285.03970	3.2
286.04733	0.1
287.01840	0.2
288.06091	0.2
299.05591	0.2
301.03497	0.2
302.04230	15.0
316.06024	0.1
317.06567	100.0
318.06860	0.4
327.05066	0.1
328.05283	0.1
332.05411	0.1
339.12256	0.1
347.07651	0.4
359.07703	0.1
380.08734	0.1
479.11893	1.8
547.10870	0.1
547.21387	0.3
565.11871	3.7
565.20679	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
57.03440	0.6
61.02907	0.8
68.99789	0.6
69.03439	6.5
70.50845	1.3
73.02924	1.1
81.03421	4.9
85.02904	4.5
87.00832	5.2
97.02895	4.0
97.35806	0.3
99.04458	1.1
105.01877	1.6
105.10901	0.4
107.04967	0.7
109.02885	2.3
117.01865	1.1
121.02892	0.4
127.03929	4.3
133.06613	0.3
145.04955	0.9
159.02924	3.7
168.00580	0.6
183.02904	0.4
184.04611	0.3
200.04749	0.4
213.03937	0.4
228.04233	1.2
229.18227	0.5
231.05074	2.8
257.04361	0.6
267.02957	0.3
274.04791	1.0
285.04022	3.0
301.03473	2.7
302.04230	44.0
303.04956	2.5
317.06580	100.0
318.07059	0.7
448.63690	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1193
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03911	0.4
55.01839	0.5
55.02071	0.1
57.03400	0.3
68.99766	0.3
69.03437	1.7
70.58366	0.3
71.01350	0.1
71.04962	0.2
73.02878	0.3
79.05464	0.2
81.03426	1.7
81.82690	0.1
85.02912	3.1
87.00847	1.0
87.01320	0.2
91.05489	0.1
91.95625	0.1
97.02895	0.9
99.04461	0.6
103.03924	0.2
105.01866	0.7
105.03384	0.1
107.04990	0.5
109.02886	2.0
109.06491	0.2
112.82926	0.1
119.04914	0.2
121.06538	0.7
123.00774	0.2
125.02309	0.4
125.06002	0.1
127.03936	3.6
129.01790	0.3
134.03584	0.1
135.04431	3.2
144.05576	0.1
145.04929	1.0
145.06380	0.2
147.02863	0.2
147.04353	0.2
149.05983	0.2
153.01866	0.8
155.03394	1.9
159.02910	0.9
161.05943	0.3
166.99771	0.1
167.07059	0.2
168.00618	0.5
169.01337	5.6
171.02878	0.2
173.05959	0.1
176.54257	0.1
181.01340	0.9
185.00897	0.1
185.05995	0.1
186.01573	0.3
187.06075	0.2
187.07581	0.2
189.03821	0.1
197.05901	0.1
200.04684	0.3
202.02678	0.1
203.03423	0.3
215.07082	0.2
218.05638	0.2
225.05426	0.1
228.04164	0.5
229.04987	0.3
231.04979	0.5
243.06474	0.3
245.04466	0.5
246.05235	2.7
256.03839	0.2
257.04486	0.4
258.05209	0.2
259.02377	0.1
261.07568	0.4
271.06100	0.6
273.03912	0.5
274.04752	3.7
285.04004	0.9
287.05652	0.2
288.06332	0.7
299.05557	0.5
300.06653	0.1
301.03583	0.2
302.04230	4.5
315.05014	0.8
316.05887	0.7
317.06577	100.0
318.07013	0.8
359.07632	0.5
467.87805	0.1
479.11838	0.4
521.13342	0.2
565.11957	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	564.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.4
55.05516	22.0
57.03428	15.1
66.21965	3.7
67.05188	4.7
67.05518	62.0
69.03416	6.8
69.07078	27.2
69.75822	10.7
69.76212	8.8
71.04987	5.7
73.74564	3.6
79.05515	41.1
80.19189	3.7
81.03443	25.5
81.06652	6.2
81.07072	65.9
83.05002	11.5
83.08626	16.3
83.69508	3.4
85.02901	8.2
91.05482	38.0
93.07060	47.6
95.04974	20.5
95.08632	23.1
97.02876	7.4
97.06546	45.9
97.10158	7.5
98.20824	4.6
105.07040	27.1
107.05000	6.5
107.08611	37.2
109.06526	8.2
109.10153	13.7
111.04412	8.8
111.08102	12.8
117.07019	14.4
119.08578	18.3
121.10126	14.1
123.08067	4.2
127.03887	4.1
129.07008	5.3
131.08583	21.5
133.10110	19.0
135.11690	19.9
135.54738	3.9
143.08607	5.4
145.10126	16.2
147.08044	4.6
147.11682	10.8
149.09608	9.0
149.13271	16.4
151.11192	5.1
153.12823	5.0
157.10139	10.9
159.11726	19.9
161.06000	8.5
163.11185	13.6
171.11728	3.9
173.13268	6.7
177.12775	27.2
193.12311	9.5
195.06474	4.7
195.13916	6.2
211.13234	6.8
227.12732	4.4
229.14365	7.7
239.18089	4.7
249.67653	3.7
251.16379	4.8
255.15999	35.4
257.19009	4.5
259.09695	7.7
267.15991	7.9
269.17514	100.0
275.20145	21.2
311.12863	7.0
327.15842	4.9
337.14392	9.0
349.23685	34.3
355.15436	25.2
367.24908	18.6
511.28928	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	564.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	2.2
60.08167	28.5
68.05037	4.2
70.06590	1.0
71.52405	0.6
73.48276	0.6
73.71380	0.6
77.95592	0.6
95.06094	100.0
98.97652	0.6
124.03945	2.0
126.09929	0.7
154.13394	50.7
155.18356	0.7
160.07533	1.0
165.08940	0.6
198.12387	99.7
207.09546	0.6
222.98978	0.7
318.28580	0.7
325.25616	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43462	0.3
52.89108	0.3
56.96587	0.3
58.06593	2.6
60.08169	26.7
68.04686	0.4
68.05034	5.1
68.67081	0.3
69.03432	0.8
70.06596	1.1
71.51392	0.3
81.03410	0.3
84.08126	0.5
85.02893	1.8
86.09731	0.3
95.06096	97.9
97.02898	1.1
98.20915	0.3
98.97583	1.1
109.02892	0.7
110.97581	0.5
111.05595	0.8
116.98600	0.8
127.03933	1.2
128.98630	0.5
136.06325	0.4
139.05006	0.6
145.04933	0.3
154.13400	48.7
156.33414	0.3
160.07629	0.8
163.03894	1.3
175.11919	1.5
198.12393	100.0
205.13371	0.6
215.09918	0.4
219.01782	1.2
228.42871	0.3
237.02869	1.7
237.05130	0.6
265.98288	0.3
292.07016	6.1
292.57236	0.5
329.05435	0.5
367.18594	0.4
415.30304	0.3
464.44492	0.3
564.21808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.01869	7.3
55.05511	19.6
56.64454	2.1
57.03445	13.9
61.02915	3.8
65.03936	3.0
65.26375	2.1
66.33612	2.2
67.05181	3.8
67.05512	53.1
69.03427	8.4
69.07069	25.3
69.86341	3.8
69.86744	8.8
70.06573	2.9
71.04997	5.6
71.53963	1.8
73.02931	3.1
79.05499	40.7
81.03424	18.2
81.07069	58.9
83.04974	13.2
83.08631	12.7
85.02903	7.5
85.06536	4.1
91.05486	32.8
92.96510	2.0
93.07052	44.8
95.04967	9.4
95.08618	24.7
96.31884	1.8
97.02909	6.4
97.06543	31.5
97.10165	7.7
97.42079	2.1
99.04430	2.5
99.08089	5.8
105.04491	2.5
105.07032	23.3
107.04945	9.0
107.08604	28.0
109.06515	5.0
109.10163	12.1
111.08076	6.2
115.05432	2.5
117.07015	16.4
119.08601	19.3
121.06493	6.1
121.10146	16.5
123.08037	3.6
123.11708	4.1
125.05954	2.1
125.09618	4.8
127.03933	5.1
129.07022	6.7
131.04857	1.9
131.08595	17.3
133.10144	19.1
135.08105	3.1
135.11688	23.3
137.05984	4.3
143.08624	5.3
144.06490	2.2
145.10135	12.8
147.08002	3.7
147.11713	10.4
149.09662	13.9
149.13306	13.5
151.11018	2.5
153.12706	3.3
155.08565	2.8
157.10172	6.2
157.52020	2.5
159.11726	22.8
161.06026	3.0
161.13266	6.2
163.03847	3.1
163.11250	11.8
171.11716	2.9
173.13229	4.7
175.11258	2.2
177.12753	27.1
179.14301	10.1
181.12111	3.4
183.11673	2.3
189.09229	2.7
191.14328	2.4
195.06415	3.9
195.13844	5.2
200.26016	2.3
201.09160	3.2
211.13310	2.6
227.12715	6.3
229.14418	4.5
231.10088	2.6
239.17902	4.4
245.13890	2.6
247.20543	2.9
251.16409	6.2
255.15945	56.2
257.18942	7.6
267.15845	5.0
269.17502	100.0
275.20065	30.2
293.21103	2.6
311.12686	4.6
313.14392	4.1
327.15952	5.6
337.14334	7.4
349.23749	69.1
355.15366	20.9
367.24854	26.5
384.63727	2.4
395.20673	2.5
413.21887	4.9
443.92426	2.5
461.29248	3.1
483.27533	2.2
493.27536	2.7
511.28653	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	564.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14532	0.6
51.02358	0.7
53.03952	3.2
55.01844	1.8
55.05516	5.2
56.05013	1.7
57.03418	0.9
57.07056	1.3
58.06577	1.3
65.03908	2.7
67.01841	0.8
67.05511	15.6
68.02637	0.7
68.99790	3.8
69.03436	3.0
69.03730	0.6
69.07051	1.5
70.06586	1.7
70.32349	1.0
70.32691	1.5
71.07374	4.5
72.08160	25.2
74.00654	0.7
77.03893	1.3
79.05499	45.8
81.03429	4.1
81.07061	11.5
83.04961	1.2
85.02837	1.0
85.06085	0.6
85.06548	8.1
88.02202	0.7
91.05486	27.3
93.07049	9.6
93.96861	0.7
95.04969	7.0
95.08578	2.0
96.04459	1.1
97.02872	1.9
97.06487	0.8
98.05997	1.0
103.05441	2.3
105.03407	1.0
105.04510	0.9
105.07039	27.4
106.06538	1.1
107.04967	7.7
107.07900	1.3
107.08604	26.1
109.02904	0.7
109.06476	2.5
110.05995	0.9
111.00793	1.8
115.05435	2.7
116.04958	1.0
117.07018	6.7
119.04921	1.8
119.08609	6.0
120.01157	1.2
121.02837	1.0
121.06477	1.8
121.10123	1.5
123.04433	1.1
123.08078	0.7
124.07597	1.3
127.03925	1.0
128.06187	1.5
129.07040	3.7
130.07755	0.7
131.04912	2.2
131.08585	5.6
133.06499	19.5
133.10150	4.3
134.06015	11.3
135.04388	1.1
135.06358	5.7
135.08029	1.2
137.02362	1.4
137.05942	2.3
138.09084	0.7
139.03889	1.3
139.09933	7.7
141.06967	1.6
142.07805	1.0
143.08557	2.1
145.06429	3.2
145.10135	4.2
147.04378	2.9
147.08043	2.8
147.11697	13.6
149.05927	1.0
149.09593	0.7
149.13197	2.0
151.03876	0.9
151.07536	1.7
152.06177	0.6
152.10677	0.9
153.01840	64.1
153.06963	1.8
155.08537	1.7
157.06488	1.2
157.10077	2.3
160.07860	1.5
161.05952	2.6
163.04024	1.2
165.01805	2.6
165.05548	0.8
165.07007	1.3
166.07761	1.3
167.07022	0.7
169.06456	2.7
171.02908	0.9
171.04430	2.1
171.08116	1.5
173.06006	2.2
173.09653	3.6
174.06720	0.6
175.03909	0.9
175.07495	1.7
175.11229	3.2
177.05493	1.0
179.03386	4.0
179.08502	1.2
181.01280	1.1
181.06491	2.3
181.10092	1.3
182.11823	1.2
183.02878	0.9
183.04382	1.1
183.08060	1.2
185.05934	1.1
185.09601	0.8
187.03854	1.2
187.07486	1.2
189.05788	13.1
193.04822	0.8
194.07231	1.2
195.02872	1.8
195.08041	0.9
197.05972	4.1
199.07585	5.5
201.03725	1.2
201.05457	10.0
201.08810	0.6
203.03366	1.1
203.07011	1.2
203.18021	1.3
203.74626	0.7
206.08539	6.1
206.15411	1.1
207.02866	4.9
207.08075	2.1
209.05942	1.2
209.09618	1.8
211.07587	3.1
213.05548	0.9
214.06061	0.7
215.03403	0.9
215.07018	1.1
217.05038	5.7
219.02881	1.0
221.04367	1.0
223.07579	1.3
223.11192	0.8
225.05481	3.8
225.09045	2.0
227.03415	0.8
227.07034	9.7
229.04948	2.0
233.09492	0.8
235.07611	1.4
237.09074	2.0
239.06999	2.0
241.04985	1.3
243.06563	2.1
245.04471	4.1
246.18550	42.1
247.11308	1.1
249.08983	1.2
249.12688	0.7
251.07030	1.1
251.10927	0.9
253.04926	4.8
255.06441	1.9
255.10062	1.2
257.04480	0.8
259.05939	1.0
259.11172	1.0
261.09235	0.8
263.06946	1.2
263.10660	1.0
264.19586	7.3
265.12317	1.2
267.06567	2.1
269.04459	1.5
269.07886	0.8
271.06015	2.0
273.03961	5.1
273.07547	2.1
275.10620	1.0
277.12082	1.4
279.06509	2.0
280.07614	0.7
281.04428	1.9
281.08057	2.3
281.11758	0.9
282.05228	1.1
283.05923	1.4
285.03992	2.0
285.07562	3.1
291.06567	0.8
293.11761	1.6
295.06024	2.1
295.09717	0.6
295.13327	2.2
297.04065	1.0
297.07562	2.0
299.05582	12.5
299.08994	1.4
301.03391	3.6
301.07086	3.2
303.04861	1.1
303.10162	1.1
305.08316	1.2
305.11713	2.2
306.08740	0.8
307.06052	1.2
309.07571	2.3
311.05545	2.6
313.03375	3.8
313.07095	2.3
315.05701	0.8
315.17084	2.2
316.17502	3.5
319.05975	1.0
321.07489	1.7
321.11163	1.1
322.04828	0.9
323.05502	2.4
323.09189	5.4
323.12839	2.3
325.03671	1.1
325.06882	4.2
327.05020	85.1
328.05359	1.2
329.06528	3.9
331.09845	1.2
333.07587	1.4
335.05545	0.9
335.09219	1.5
337.07077	3.2
337.10641	1.5
339.05020	1.3
339.08725	1.4
340.05826	1.4
341.06589	5.2
345.07697	1.0
347.09067	1.2
349.06998	1.3
349.10788	2.3
351.04840	1.2
351.08670	8.7
351.12521	0.6
353.06546	4.6
355.08224	0.8
361.07053	4.7
361.10889	1.6
365.10315	0.7
366.21011	0.8
376.19342	1.7
379.08023	14.7
389.10110	2.6
394.20297	4.7
401.13950	1.2
405.12711	0.7
407.11194	2.9
411.12415	1.0
419.15216	1.2
420.18005	0.9
429.13412	2.8
439.11786	1.0
447.14441	8.3
457.12827	5.6
475.13913	20.6
500.20413	1.0
518.21796	30.0
528.20203	4.3
536.23364	0.9
546.21283	100.0
547.22247	0.9
564.22253	7.6
565.05542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27424	0.7
50.39863	0.6
51.02386	0.9
53.03949	2.8
55.01875	1.7
55.05519	5.9
56.05031	2.0
57.07057	1.2
58.06591	1.3
58.68963	0.7
65.03938	2.4
67.01863	1.1
67.05175	1.2
67.05511	12.3
68.99800	3.0
69.03432	3.3
69.07066	1.4
70.06593	2.2
71.07392	4.7
71.52669	0.7
72.08162	26.1
76.44807	0.7
78.61183	0.7
79.05502	46.0
81.03419	4.7
81.07071	9.8
83.04990	1.2
84.08165	1.1
85.02899	1.4
85.06546	2.9
86.09689	1.0
91.05489	25.6
93.07049	7.7
95.04979	6.9
95.08606	2.6
96.04533	1.0
97.02895	1.2
103.05495	2.4
105.03428	0.7
105.04537	1.8
105.07045	26.7
106.06551	0.9
107.04968	6.6
107.08601	25.9
109.06523	2.3
109.10175	0.8
111.00838	1.0
115.05456	2.4
117.07026	4.6
118.98691	0.7
119.04956	2.4
119.08591	5.6
120.08110	2.5
121.02903	1.1
121.06507	2.4
121.10177	1.3
123.04436	2.0
124.07600	0.9
127.03955	1.2
128.06244	1.2
129.07016	4.5
129.10176	0.7
131.04955	1.7
131.08580	5.7
132.09198	0.7
133.06505	19.4
133.10120	5.3
134.06023	9.0
135.04416	1.1
135.06416	3.4
135.08060	2.4
137.02332	1.3
137.05969	1.1
139.03915	1.2
139.09940	7.2
141.07013	1.8
142.07747	0.8
143.08560	1.8
145.06534	4.1
145.10158	3.6
147.04422	2.4
147.08064	3.2
147.11710	14.1
149.06013	1.1
149.09563	1.0
149.13289	1.8
151.03896	1.3
151.78011	0.8
152.10765	1.1
153.01846	68.2
153.06995	2.4
155.08580	2.1
157.06477	1.7
157.10094	1.6
158.07344	0.8
159.08066	1.6
161.06026	2.0
163.03946	1.4
165.01871	2.4
165.06931	0.7
166.07713	0.7
167.08551	0.8
169.06555	1.8
171.03029	1.0
171.04391	1.7
171.08109	1.5
173.05989	1.5
173.09657	2.7
174.33267	0.7
175.03970	1.9
175.07584	1.4
175.11234	2.9
177.05522	2.5
179.03400	5.0
179.08609	1.9
180.04439	0.7
181.01332	1.6
181.06525	2.4
181.10199	0.9
183.02870	1.1
185.06015	1.4
185.09634	1.1
187.07585	1.3
189.05702	6.2
193.06499	0.9
193.10123	0.8
195.02979	0.9
195.08112	1.5
197.05972	4.1
197.09567	0.9
199.07590	4.1
201.05499	8.7
201.09148	1.2
203.03462	2.3
203.17923	1.9
206.08521	2.9
207.02910	4.2
207.06572	2.1
207.08232	1.6
208.06892	1.6
209.06075	1.4
209.09656	1.7
211.07588	1.6
213.05522	0.9
217.04930	5.1
221.04512	1.5
225.05505	2.7
225.09157	2.6
225.18581	0.7
227.03406	1.2
227.07068	9.9
227.10590	1.3
229.05016	2.6
229.08578	0.9
235.07613	1.7
237.05653	1.0
237.09024	1.1
243.06616	1.1
245.04581	3.6
246.18565	41.5
247.11273	0.9
251.07146	1.2
253.05002	4.3
253.08775	0.9
255.06471	1.1
255.10277	1.6
257.04440	1.6
259.11249	1.4
262.09955	0.9
263.07208	0.7
263.10602	0.7
264.19562	7.8
265.12302	0.9
267.06784	0.9
267.13916	1.4
269.04565	0.9
271.06097	3.0
273.04016	5.2
273.07541	1.8
275.10727	1.0
277.08643	1.1
277.12247	1.6
279.06628	2.1
281.04599	1.1
281.08258	2.0
282.05298	1.8
283.05963	1.3
285.04489	1.2
285.07681	4.1
291.06378	0.8
291.10233	0.9
293.08148	0.9
293.11523	1.1
295.06119	2.3
295.13538	1.7
297.04211	1.0
297.07648	2.6
298.04648	1.2
299.05551	12.6
299.08789	0.7
301.03418	3.6
301.07178	2.4
303.04922	1.7
303.10104	1.4
305.08423	1.3
305.11758	3.0
307.06046	1.4
307.09631	0.9
309.04327	0.9
309.07587	2.7
311.05576	2.2
311.09012	1.1
313.03479	3.9
313.07196	2.1
315.16974	1.5
316.17407	2.2
318.05167	0.9
321.07614	1.6
321.11093	1.1
323.05533	2.5
323.09216	5.4
323.12808	2.4
325.06982	4.8
327.05035	81.7
327.08295	3.7
329.06613	3.2
331.09732	1.1
333.07651	1.7
335.09247	1.6
337.07111	3.5
337.10519	1.6
339.05167	0.8
340.06219	0.8
341.06601	4.0
349.10858	1.3
351.08627	8.9
351.12274	1.3
353.06650	4.9
361.03265	1.0
361.07153	3.4
361.10522	1.6
367.08774	0.8
376.19360	1.3
379.08127	14.2
389.10150	2.2
394.20035	6.2
401.14114	1.2
407.11337	2.3
411.12378	0.8
419.15033	1.6
420.18384	1.0
429.13287	3.5
433.12820	0.8
439.12082	1.0
447.14413	9.1
457.12830	5.7
475.13910	21.5
492.18451	0.9
518.21796	28.6
528.20111	4.2
536.22791	1.1
546.21295	100.0
547.21240	0.8
564.22351	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	564.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01860	0.7
55.05521	2.8
56.05014	0.9
58.06585	0.4
65.03960	1.7
67.05511	11.3
68.02628	0.5
68.99774	0.8
69.03410	0.9
69.07063	0.4
70.06569	0.9
70.10326	0.6
70.10707	0.5
71.07385	3.2
72.08163	13.0
79.05501	34.0
79.90386	0.3
81.03394	1.3
81.07073	3.4
83.04971	0.3
91.05489	12.3
93.07059	2.4
95.04979	3.9
95.08579	1.0
96.04455	1.1
98.06033	0.4
103.05505	1.5
105.03380	0.7
105.04513	0.6
105.07044	13.3
106.07842	0.7
107.04988	2.9
107.08607	17.4
109.06509	1.3
110.06062	0.3
111.00828	0.6
111.06796	0.3
115.05440	1.5
115.50344	0.3
117.07032	4.2
119.04935	0.7
119.08559	2.6
121.02863	0.5
121.06482	0.8
124.07569	1.0
126.09192	0.4
128.06239	0.5
129.06976	1.2
130.07751	0.6
131.04984	0.7
131.08582	4.0
133.06543	1.7
133.10118	1.7
135.08084	2.3
137.02365	0.9
138.09074	0.3
139.09937	4.2
141.06949	0.4
143.08594	0.4
145.06483	1.3
145.10144	2.9
147.04329	0.6
147.08043	0.8
147.11705	3.3
149.02350	0.4
149.13206	0.4
153.01836	11.7
155.08536	0.7
157.06477	0.5
157.10109	0.8
158.07289	0.5
159.08084	0.3
161.05972	1.2
163.07407	0.3
165.01877	2.2
166.49652	0.3
169.06448	0.4
173.09651	3.1
175.03915	0.7
175.11165	1.3
179.03412	0.8
181.01192	0.3
182.25427	0.3
183.02925	0.4
183.04417	0.5
183.08133	0.4
185.05998	1.1
187.03923	1.4
189.05513	1.0
197.05977	1.2
198.06714	0.3
199.03860	0.3
199.07571	0.5
201.05490	2.0
203.03421	0.7
206.15405	0.6
211.07562	0.6
213.05562	1.6
215.07042	0.6
217.04971	5.2
218.15465	0.3
225.05540	1.5
225.09082	0.6
227.03397	0.8
227.07043	0.9
229.04977	4.4
239.06999	0.5
241.05051	1.5
243.06561	1.2
244.16978	2.7
245.04472	7.4
246.18559	9.8
253.04993	1.1
253.08630	0.4
255.06572	0.7
257.04495	3.4
264.19644	0.5
266.05777	0.5
267.06555	0.8
269.04498	3.8
271.05914	1.8
273.03952	8.4
274.04565	0.5
277.08902	0.4
277.12296	0.3
281.04633	0.4
281.07974	0.5
283.06070	0.7
284.06769	0.4
285.03964	4.1
285.07465	0.7
286.04761	0.6
287.05481	0.6
293.11697	0.4
295.06067	1.6
297.03937	1.0
297.07419	0.5
298.04767	0.4
299.05545	5.9
301.03445	11.1
302.04236	2.2
303.05005	5.5
305.08234	0.3
305.11545	0.5
309.07538	0.6
311.05502	1.2
312.06235	1.4
313.03445	9.1
313.07111	3.9
315.05054	0.7
321.11386	0.5
323.05515	0.7
323.09189	0.7
325.03485	0.5
325.07053	2.5
327.05023	76.4
329.06552	1.5
333.07462	0.4
335.05551	0.3
337.07083	1.3
339.04901	1.1
340.05786	8.7
341.06577	16.0
349.07010	0.7
349.10806	0.4
351.08603	1.5
353.06635	5.0
355.08157	0.8
361.07068	0.8
363.08780	0.4
365.10156	0.8
367.08212	1.1
379.08118	10.8
379.12701	0.6
381.09784	1.0
407.11237	4.0
419.14890	0.4
447.14926	0.6
457.13245	1.6
475.13931	41.4
528.20367	1.8
529.18744	2.6
546.21295	100.0
547.21954	1.0
561.39905	0.4
564.22546	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.4
53.03922	1.5
54.78862	0.3
55.01860	0.7
55.05520	2.4
56.05007	0.8
65.03912	1.5
67.05513	7.8
68.99761	1.0
69.03397	1.2
70.06576	0.8
70.80695	0.7
71.07384	3.0
72.08164	10.8
77.03920	0.3
79.05502	25.6
81.03374	1.1
81.07070	5.0
83.04959	0.6
91.05489	14.2
93.07054	3.6
95.04984	4.5
95.08565	0.8
96.04469	0.8
96.05741	0.5
97.02823	0.3
97.06481	0.6
98.06014	0.5
98.21456	0.3
103.05431	1.3
105.04504	0.8
105.07040	13.0
106.07754	0.4
107.04964	3.5
107.08601	9.6
109.06480	1.1
110.06023	0.5
111.00787	0.6
111.70891	0.3
115.05463	1.9
117.06265	0.3
117.07029	5.5
119.08592	2.5
121.02825	0.6
121.06529	0.5
121.10039	0.4
124.07576	0.9
128.06204	0.8
129.07024	1.7
130.07761	0.6
131.04901	0.8
131.07755	0.4
131.08580	4.0
133.06523	2.1
133.10139	2.4
135.04405	0.3
135.08017	1.5
137.02284	0.9
139.09941	2.5
141.07036	0.5
143.08527	0.8
145.06483	1.8
145.09071	0.4
145.10143	5.9
147.04433	0.7
147.08009	1.2
147.11687	3.7
149.13243	0.5
153.01843	9.4
155.08566	0.7
157.10202	0.8
158.07191	0.4
159.08020	0.6
161.05949	1.2
163.03975	0.4
165.01852	2.2
169.06415	0.4
171.04350	0.6
171.08003	0.4
173.06046	0.5
173.09659	2.8
175.03912	0.5
175.11139	1.8
177.05505	0.6
178.91537	0.3
179.03391	0.8
181.01216	0.4
183.04436	0.6
185.05952	0.9
187.03937	0.9
187.07523	0.4
189.05429	1.4
193.54308	0.3
194.53448	0.4
197.05951	1.3
198.06715	0.5
199.07510	1.1
201.05457	2.5
203.03352	0.3
206.15430	0.6
211.07619	0.5
213.05441	1.1
215.07013	0.4
217.04965	5.0
225.05429	1.2
225.61203	0.3
227.03372	1.4
229.04964	5.2
230.05650	0.5
239.07050	0.7
241.04933	1.6
243.06505	1.3
244.17017	2.1
245.04477	7.9
246.18576	9.6
253.04927	1.2
255.06621	0.6
257.04535	3.6
258.05246	0.4
263.06833	0.5
264.19513	0.6
267.06464	1.0
269.04446	3.1
271.06036	1.2
273.03970	7.9
274.04712	0.7
281.07843	0.5
283.05975	0.7
284.06653	0.6
285.03983	4.9
285.07114	0.6
286.04926	0.7
295.06009	1.3
297.03885	1.3
297.07526	0.5
299.05548	5.5
301.03436	13.6
302.04276	1.8
303.04987	7.6
307.06143	0.4
308.06973	0.5
309.07526	0.7
311.05545	0.8
312.06137	0.6
313.03421	10.3
313.07089	3.5
321.11279	0.3
323.05524	0.8
323.09116	0.7
325.07068	2.4
327.05017	85.0
329.06583	0.8
333.07361	0.7
337.07138	1.2
339.04895	0.8
339.08609	0.4
340.05783	3.7
341.06598	10.3
349.06934	0.7
351.08698	1.1
352.06082	0.4
353.06625	5.1
355.08121	1.9
361.07175	0.7
363.08893	0.6
365.10147	1.2
367.08145	0.9
379.08130	13.1
381.09763	1.7
389.09872	0.6
391.08249	0.4
407.11200	3.7
433.12970	0.4
447.14536	1.0
457.12921	1.2
475.13922	43.2
528.20135	1.2
529.18628	3.7
546.21283	100.0
547.21704	0.9
564.22388	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.3
61.50468	1.5
67.05499	4.0
69.07072	27.5
70.56133	4.9
79.05491	4.2
81.03403	1.9
81.07052	6.5
83.04982	3.0
90.21286	1.5
91.05466	5.3
93.07016	1.7
94.04180	2.4
95.08601	5.2
98.21506	2.0
99.36784	1.6
103.05466	6.7
105.07043	3.0
107.04974	1.6
107.08614	2.0
108.97139	1.4
109.06550	2.4
111.08044	1.7
115.05460	5.3
117.07031	7.1
119.08586	2.1
121.06490	4.4
122.03654	5.7
128.06230	3.6
129.06985	5.8
130.07750	1.8
131.04926	12.5
131.08585	3.3
132.05722	1.9
137.05989	100.0
137.13278	2.3
141.06981	2.9
143.04953	2.7
143.08551	4.8
145.06493	11.8
145.10124	5.6
147.04483	1.8
147.08034	3.4
149.06001	4.3
151.03900	9.4
151.07568	13.1
155.08551	2.3
157.06494	6.0
157.10144	3.5
158.07281	4.1
159.08047	4.8
160.05222	5.0
161.05984	3.1
163.07597	16.2
165.05479	5.3
165.09187	1.9
167.08585	2.8
169.10107	2.2
171.08057	4.5
171.11856	2.9
172.08870	3.9
173.06078	2.1
173.09744	9.1
174.06732	4.0
175.07558	32.8
176.08269	2.0
177.09157	7.3
177.12770	1.7
183.07977	2.8
185.09633	5.3
187.07552	12.9
187.11195	5.4
188.08340	3.9
189.09122	21.3
191.07001	2.0
191.10643	6.6
193.08630	2.1
195.08061	3.0
196.08815	1.8
197.09604	2.9
199.07561	2.7
199.11203	2.1
201.09117	12.8
202.09985	2.0
203.06975	1.7
203.10646	12.2
205.08626	13.6
205.12253	29.6
205.13972	1.1
207.10179	3.1
209.09590	1.9
213.09135	2.2
215.10651	8.2
217.08780	8.2
217.12238	16.6
219.10127	5.5
219.13802	4.8
221.11745	4.4
223.11157	2.5
227.10732	3.5
229.08597	3.3
229.12286	8.0
231.13805	18.6
233.11758	6.9
235.09583	2.3
239.10669	2.9
241.12300	3.6
243.13834	4.5
245.15443	6.7
255.09950	1.9
255.13889	5.8
257.15384	5.8
259.16913	2.6
267.13828	3.6
269.15387	3.3
271.16974	8.3
273.14972	4.4
273.18497	20.6
275.16483	2.2
275.19681	1.6
277.08527	2.1
282.08890	1.9
283.09592	5.4
285.14917	4.0
285.18173	1.9
287.16443	3.6
289.18030	7.9
291.10059	3.2
299.20172	4.3
307.09659	1.8
307.67749	1.7
313.21426	2.5
315.15991	2.1
319.13171	2.3
321.11142	3.1
323.13129	1.9
323.20132	3.1
330.42438	1.7
333.11234	2.0
335.12595	2.1
341.24588	3.4
351.15851	2.5
353.13739	4.3
353.21103	3.8
355.22729	4.7
363.15872	2.1
371.15253	3.8
371.22058	3.0
381.16907	6.0
382.11389	2.0
391.18774	3.8
403.18851	3.1
407.22290	3.2
409.20053	2.5
419.22333	3.2
421.20111	7.0
421.26434	1.5
439.21484	3.6
459.25128	3.1
471.24878	2.0
476.25812	2.4
477.26440	9.2
489.26508	3.6
494.27008	1.9
495.27234	4.8
505.29309	9.6
507.27579	5.0
527.31317	2.7
539.15662	2.0
545.32733	20.6
563.33655	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	563.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.6
55.05505	8.8
57.07072	5.1
60.87626	2.4
61.82262	2.5
67.05502	23.2
69.07071	35.4
69.81081	14.4
71.08627	3.8
74.16106	2.6
79.05502	15.8
81.03429	5.1
81.07068	23.5
83.04977	5.9
83.08604	8.7
91.05479	10.3
93.07030	12.5
95.08615	17.0
97.06563	2.7
98.20830	3.2
103.05474	3.5
105.07026	11.0
107.08591	9.8
109.06507	4.0
109.10164	6.6
115.05525	3.9
117.07014	8.6
119.08596	9.7
121.06509	3.1
121.10181	5.3
122.03667	5.8
122.97660	2.9
128.06242	4.5
129.07030	13.5
131.04941	13.4
131.08618	6.8
133.10173	5.4
135.04445	3.9
135.08093	2.7
135.11665	7.7
137.05995	100.0
141.07016	4.0
143.08600	8.3
145.06459	12.4
145.10124	7.8
147.08124	5.8
149.06039	3.4
151.03905	11.4
151.07541	15.1
155.08577	4.8
157.06531	10.3
158.07288	3.7
159.08104	6.4
160.05142	3.5
163.07562	22.1
165.05536	6.4
169.10187	3.1
171.08022	7.2
171.11690	6.2
172.05135	2.9
173.05984	3.1
173.09654	14.9
173.13353	3.4
174.06778	7.3
175.07558	39.7
177.09131	10.4
181.10141	4.0
185.13232	2.8
187.07574	22.4
187.11237	7.1
189.09143	27.5
191.10619	5.8
193.08615	3.0
195.08107	3.5
199.07674	3.6
201.09183	12.5
203.10687	15.7
205.08641	9.0
205.12274	34.7
211.07748	3.4
211.11256	2.6
213.09152	5.5
215.10667	8.7
217.08542	6.2
217.12271	12.2
219.10226	7.7
219.13937	3.7
225.09056	4.2
227.10745	4.3
227.12793	3.9
229.12268	8.6
231.13840	21.1
233.11752	3.3
245.15521	6.0
255.13841	6.4
257.15369	4.1
271.17041	8.1
273.18478	16.1
283.09714	8.9
287.16479	2.6
289.17966	8.9
291.10181	3.2
305.11780	3.2
323.12924	5.0
335.12930	4.5
335.25946	3.5
353.20956	4.7
403.18982	3.6
406.21259	8.2
421.19913	6.8
439.21109	3.1
459.25253	6.0
475.28210	4.0
477.26599	13.0
495.27750	4.1
505.29535	8.0
545.31689	19.3
545.39551	4.8
563.26019	5.7
563.33624	24.3
563.41290	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	563.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.3
55.05506	3.8
57.07063	2.0
59.04998	1.8
67.05511	3.7
69.07077	23.8
70.14072	6.5
75.34019	1.5
75.93143	1.8
79.05495	2.6
81.03433	2.9
81.07058	7.2
83.04996	2.7
83.08624	1.8
91.05479	5.5
93.07056	2.9
94.04185	2.2
95.08612	6.2
103.05461	4.2
105.07071	3.5
107.08600	2.2
109.10149	1.7
115.05464	3.1
117.07037	7.9
119.08585	3.3
121.06525	3.4
122.03667	8.4
123.11747	1.7
128.06229	4.4
129.07040	10.8
131.04944	16.0
131.08594	4.0
135.11755	2.0
137.05997	100.0
137.13268	3.9
141.07007	3.0
142.07825	2.1
143.04961	2.7
143.08589	5.3
144.05724	3.5
145.06476	15.5
145.10147	6.4
147.08035	4.7
148.05211	2.0
149.05995	4.9
151.04012	7.6
151.05013	2.1
151.07591	15.0
153.06975	1.7
155.08569	3.4
157.06497	10.0
157.10098	3.0
158.07310	4.0
159.08076	3.9
160.05209	2.8
161.06001	2.8
163.07576	13.2
165.05513	4.8
165.06883	1.6
165.09186	1.7
167.08578	2.4
169.10152	1.8
170.07269	1.9
171.08073	6.9
171.11754	1.9
173.05992	4.5
173.09686	7.4
174.06731	4.1
175.07579	30.9
177.09155	8.7
179.08406	1.6
181.06473	2.1
181.10129	2.8
185.05957	2.0
185.09601	5.8
186.06699	1.9
187.07565	12.1
187.11174	4.9
188.08325	3.0
189.09160	20.7
191.10657	4.6
195.08090	2.8
197.09608	4.5
197.13266	2.4
199.07571	3.3
199.11223	3.7
201.09131	8.4
202.09825	2.0
203.10736	12.4
205.08591	9.9
205.12267	22.4
209.09727	2.0
211.07620	3.1
213.09227	3.1
215.10602	7.3
217.08606	6.4
217.12277	12.5
219.10194	3.4
219.13844	4.1
221.44281	1.8
223.11250	2.1
225.09146	2.8
227.10747	2.6
229.12256	6.8
231.10103	1.8
231.13811	8.7
233.11778	2.1
235.09720	3.3
237.09230	1.8
239.14458	2.0
241.12274	2.5
243.13898	5.4
245.15392	4.1
253.12193	2.0
255.13876	3.6
257.15466	4.7
259.16815	2.2
267.13809	3.9
269.15311	2.3
271.16989	5.0
273.09140	2.2
273.15836	1.7
273.18503	11.2
275.16870	1.9
283.09531	2.4
285.18439	1.8
287.16315	2.1
289.18106	4.2
297.14920	2.4
299.20099	4.2
313.21664	3.2
341.24658	4.5
353.13998	2.1
355.22656	3.2
359.16254	2.7
371.22437	2.7
381.16980	3.5
391.19128	2.7
391.26230	2.2
394.71439	1.6
406.20862	2.0
421.20102	5.5
421.27277	3.2
439.21332	4.2
475.28290	2.1
477.26263	2.8
489.26578	2.7
495.27200	3.3
505.29596	8.8
507.27261	2.4
527.31805	1.8
545.32623	20.3
563.33569	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
53.42368	0.4
55.01881	0.9
55.05519	4.1
57.03436	1.5
57.07080	1.0
60.59422	0.4
64.61834	0.3
65.03954	1.0
67.01870	0.7
67.05512	17.0
67.24007	0.4
68.99779	1.0
69.03435	6.2
69.07071	4.1
71.04981	1.5
71.08636	0.5
71.52238	0.6
71.52605	0.4
72.08212	0.3
73.02919	0.6
73.06559	0.6
73.16354	0.4
73.97555	0.4
77.03929	0.5
79.05499	12.0
79.64097	0.4
80.35402	0.4
80.76643	0.4
81.03427	14.6
81.07068	15.6
83.04980	2.4
83.08623	2.6
85.02909	4.7
85.06539	1.1
88.58233	0.5
91.05487	8.3
93.07053	15.2
93.07643	0.8
95.04980	3.0
95.08616	12.0
97.02901	6.2
97.06528	1.3
97.10170	1.0
98.03683	1.4
99.04471	1.7
99.08154	0.5
103.03961	1.6
103.05489	0.4
105.07039	7.6
107.04961	1.9
107.08601	8.0
109.02882	5.3
109.06528	1.7
109.10157	6.3
111.04440	1.0
111.08081	0.7
113.05988	0.8
113.09640	0.4
115.05481	0.8
117.07018	4.8
119.08601	6.3
121.06523	1.0
121.10157	6.3
123.04462	2.6
123.08094	1.0
123.11720	2.0
125.05937	0.5
125.09617	0.5
126.03142	2.5
127.03955	3.2
129.07008	1.6
131.05011	0.4
131.08580	6.3
133.06543	0.9
133.10143	4.1
135.08101	1.1
135.11711	4.9
137.05997	7.5
137.09613	0.8
137.13293	0.6
139.11267	0.7
141.05478	100.0
143.08583	1.3
145.06490	0.8
145.10130	4.3
147.08067	0.8
147.11722	3.8
149.06061	0.5
149.13301	2.7
151.04010	0.6
151.07571	1.3
153.05487	6.0
153.06651	0.7
154.94214	0.4
155.08540	0.7
157.10130	1.8
159.11722	3.6
161.05927	0.7
161.09709	0.5
161.13315	2.4
163.11238	0.9
163.14868	0.9
165.05490	10.8
165.06911	0.6
165.12833	0.6
167.08530	0.6
169.10146	0.8
171.04381	0.6
171.08144	0.5
171.11681	1.2
173.09781	0.4
173.11975	0.5
173.13248	2.5
175.07570	1.4
175.11229	0.4
175.14864	1.3
177.05458	2.7
179.07057	1.8
181.08609	0.5
181.10147	0.8
183.06551	14.2
183.11742	0.7
185.13290	1.2
187.14857	1.2
191.07053	1.0
191.14223	0.5
195.10114	0.5
197.13312	0.7
199.14891	0.9
203.07036	2.7
205.08649	0.6
207.06540	6.1
219.06544	0.7
219.17450	0.6
225.16331	0.4
231.06554	9.3
233.08156	0.7
241.19241	0.5
243.21187	1.8
249.07613	5.4
259.20618	1.2
261.22205	5.0
267.08508	0.9
277.21402	0.9
289.21680	0.7
301.21606	0.7
303.23148	1.7
315.23019	0.5
321.24191	0.5
327.23315	0.9
351.23407	0.7
365.14722	0.5
369.24316	1.3
387.25345	1.3
405.26413	2.0
545.37317	1.8
563.39575	2.5
575.20483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94288	1.8
55.05512	6.1
57.07061	2.3
61.19256	2.5
67.05518	10.0
68.16486	1.8
69.07072	11.5
69.81319	11.6
72.04510	11.6
72.08160	8.5
72.99872	3.4
79.05495	14.5
81.03416	3.2
81.07064	34.6
82.07401	3.7
83.04968	2.9
83.08605	4.9
83.69033	2.3
86.08783	2.4
88.02220	48.3
91.05483	22.7
93.07053	20.8
95.04976	32.5
95.08610	21.9
96.08949	3.4
97.10197	3.5
105.07038	53.7
107.08611	10.6
108.08922	2.1
109.10178	13.8
110.10485	3.8
111.11746	4.5
117.07037	3.5
119.08588	7.5
121.10144	15.4
122.10458	2.3
123.08082	2.0
123.11731	6.2
126.39651	1.9
129.07043	2.6
131.08588	17.1
133.06493	9.2
133.10129	6.7
135.11734	5.6
137.13249	2.7
140.64243	2.2
145.10103	13.7
146.10406	2.6
147.08069	2.7
147.11652	6.7
149.09631	22.0
149.13272	5.4
150.13655	3.2
159.11661	2.8
161.13295	3.4
163.11197	5.0
163.14841	2.7
172.12230	2.5
173.13280	2.4
175.14827	2.4
177.16267	2.2
183.39055	2.3
191.10648	2.4
192.18303	2.3
198.54562	2.3
217.19478	2.4
232.23947	2.2
250.12556	2.2
262.18048	100.0
280.19135	8.8
325.91861	2.1
400.23145	4.9
412.22980	5.5
513.55499	2.1
544.49866	4.9
562.42609	3.6
562.50708	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	563.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	12.8
56.05038	1.5
57.05809	1.4
58.06604	13.6
60.04541	1.6
67.05509	5.7
69.03452	1.4
69.07080	1.8
69.41625	5.4
69.42046	2.0
70.06605	5.9
72.08164	99.4
73.04049	1.5
74.02450	37.1
74.82695	0.8
74.83745	0.9
75.04279	0.9
79.05538	0.8
81.03437	1.1
81.07043	1.0
82.06590	2.9
84.08153	69.1
85.04061	1.4
85.08916	1.8
86.09723	4.8
88.27504	0.8
90.48441	0.9
90.59164	0.8
91.05490	2.0
93.70048	0.8
95.04986	8.4
97.02926	0.9
98.20782	1.5
99.09224	2.6
100.07648	8.5
102.09213	1.5
107.04993	1.8
107.08608	1.4
110.16545	0.8
111.09212	1.0
112.07616	8.9
113.05997	4.2
114.09192	2.1
115.05460	1.2
119.04964	3.9
121.06564	1.1
123.04464	3.9
126.09176	24.8
127.08683	4.4
129.10254	1.1
130.08655	54.5
131.04950	1.3
131.08600	1.0
132.08113	1.1
135.59006	1.0
136.07590	11.2
137.06067	1.5
138.12798	2.1
139.08717	1.8
146.06053	1.5
147.04510	4.3
151.03922	2.1
154.08655	6.2
156.10222	1.3
160.07645	3.8
161.09590	1.4
165.05502	9.3
166.12329	4.0
167.06990	1.1
168.06593	0.8
171.11296	4.6
172.09711	23.6
177.05515	1.9
177.09143	1.6
180.13889	1.4
182.08128	11.4
183.14970	7.2
185.09605	1.4
189.05556	1.4
189.09109	14.3
189.10709	0.9
190.12340	1.2
194.11842	2.6
195.14928	1.8
202.12274	20.8
206.08054	1.4
211.14493	11.3
213.09094	1.1
219.15022	1.5
220.06171	1.1
225.16046	1.1
230.11714	1.1
231.10181	15.9
237.15997	1.9
239.17633	2.9
247.14600	1.4
248.12865	19.5
256.10577	1.0
265.15503	22.0
273.12619	1.0
275.13837	1.3
281.15042	4.2
281.98431	0.9
283.16522	9.5
294.13681	0.9
311.16040	5.4
314.14087	1.5
315.14435	2.9
319.13013	2.8
334.89252	1.0
347.19739	7.3
357.09921	0.9
364.22391	5.7
374.20834	1.3
375.19241	2.7
375.61145	0.9
382.22690	1.0
392.21844	55.5
401.12308	1.7
402.24762	1.0
410.23059	8.4
448.20892	1.2
464.24173	4.7
497.19275	0.9
498.62445	1.1
519.31573	1.6
545.29755	10.5
563.30841	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	15.0
55.01885	5.7
55.05510	27.9
57.03444	7.8
57.07059	8.6
60.52085	5.4
61.37414	5.0
67.05514	95.4
69.03429	36.5
69.07076	29.0
69.42714	29.3
69.43117	9.7
70.06602	6.0
71.04989	13.8
72.08168	11.4
72.60668	5.2
79.05074	7.2
79.05502	72.9
80.05821	6.0
81.03436	56.1
81.07065	100.0
82.07380	7.7
83.05005	11.8
83.08615	12.5
85.02917	34.7
91.05489	49.6
93.07051	96.6
95.04947	10.9
95.08608	63.4
97.02894	30.8
97.06531	6.7
97.10149	6.1
99.04446	10.3
105.07051	67.5
107.04962	9.4
107.08598	45.1
109.02886	17.5
109.10170	31.0
111.04450	11.0
113.37890	4.9
117.07017	21.7
119.08566	33.1
121.06512	7.7
121.10152	33.1
123.04325	5.2
123.11738	13.0
127.03939	20.0
129.06964	14.4
131.08597	33.8
133.10133	27.7
135.11694	28.8
137.09685	6.0
137.13271	6.2
143.08607	9.7
145.10127	23.9
147.11694	23.0
149.13234	17.0
155.08562	7.5
157.10115	11.3
159.11713	24.2
159.61052	5.6
161.09639	6.1
161.13280	13.6
163.14845	7.0
169.10081	11.5
171.11728	6.6
173.13269	19.6
183.11650	7.2
185.09616	5.8
185.13254	6.2
187.14793	9.1
197.13329	6.5
208.13435	6.4
234.73080	5.5
259.20554	10.3
261.22107	13.8
273.21933	7.9
277.21579	7.6
285.22058	8.4
295.15433	6.4
303.23184	13.2
351.23257	12.8
369.24316	27.6
387.25272	33.3
405.26297	33.7
410.34164	6.4
544.37012	11.0
562.25122	10.2
562.39075	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01884	0.9
57.03426	0.3
58.06591	0.7
60.04528	0.3
65.03937	1.0
68.99793	0.5
69.03439	1.6
70.06599	0.4
71.52617	0.2
73.02908	0.6
75.02379	0.2
80.11346	0.2
81.03429	4.4
81.07041	0.2
82.06582	1.3
84.07706	0.3
84.08158	2.9
85.02908	1.5
88.04003	4.0
91.05491	8.9
93.03426	0.4
93.07028	0.2
95.04979	0.6
97.02882	0.9
99.04465	0.3
100.00254	0.2
101.50291	0.2
103.05440	0.2
105.07037	0.4
107.04973	0.6
109.02882	1.7
111.00795	0.6
115.05454	0.4
119.04955	22.5
121.02881	5.6
121.06506	0.4
123.04453	2.3
124.07611	2.2
127.03896	0.4
128.07095	6.6
133.06493	0.7
134.05977	0.2
135.04436	0.5
135.17519	0.2
137.06068	0.2
139.03922	8.5
144.06563	0.3
147.04424	87.8
148.04686	0.4
149.06000	2.1
150.09267	0.2
151.03926	2.5
151.07556	2.2
153.05495	4.3
155.03416	1.2
160.07669	0.2
161.05997	2.7
161.08009	0.3
163.03914	8.2
165.05516	1.5
166.08627	0.7
167.07098	0.3
170.62352	0.2
172.07625	0.2
177.01836	0.7
177.05492	5.5
179.03412	0.4
179.07051	4.9
181.04918	0.2
190.08548	0.2
192.10193	2.0
203.03487	0.3
205.04984	5.5
208.09705	8.9
210.11250	0.5
218.08145	0.5
219.11192	0.3
220.11598	0.3
223.06046	6.7
231.02939	0.3
234.07628	0.9
236.09229	0.6
247.05983	0.2
249.03888	0.3
254.10255	100.0
255.10582	0.4
280.08273	1.1
291.08646	3.4
296.11380	0.8
296.18738	0.3
309.09732	2.2
312.65164	0.2
344.10999	0.3
354.13422	0.7
380.13193	0.3
398.14374	0.6
400.13962	6.4
416.15732	0.9
526.17688	0.3
544.18341	1.5
562.19208	11.7
588.50940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.4
55.05518	16.3
57.03440	3.9
61.02930	2.3
65.03959	1.2
67.05187	1.4
67.05511	19.2
69.03435	4.3
69.07079	17.3
69.70010	3.8
69.70438	4.8
71.04976	2.2
79.05495	16.2
81.03428	11.6
81.07053	13.9
83.04992	3.3
83.08644	8.4
85.02907	2.9
91.05485	11.8
93.07043	11.6
95.04984	7.9
95.08623	8.5
96.24992	1.2
97.02889	6.0
97.06539	2.4
97.10177	9.3
105.07055	9.3
105.61192	1.3
107.04951	4.5
107.08610	11.3
109.06543	3.1
109.10157	4.8
111.04437	1.7
111.08087	1.8
115.06161	1.3
117.07014	6.2
119.08597	7.9
121.06504	3.0
121.10152	5.2
123.08084	3.6
125.09631	9.0
129.06976	2.5
131.08562	5.9
133.06470	2.8
133.10117	3.8
135.08073	3.2
143.08588	2.2
145.10124	6.0
147.08044	4.6
147.11713	2.9
149.09612	1.3
151.07579	1.9
153.12781	1.3
157.10112	3.6
159.11716	1.7
161.09619	2.7
163.11229	2.0
171.11729	1.4
175.11201	3.3
189.11259	4.4
193.12280	6.4
199.72696	1.2
205.12300	1.4
211.13373	3.2
223.13307	15.6
226.01512	1.2
227.12781	4.1
249.15030	2.5
267.15900	8.4
273.18506	5.3
285.17075	10.2
291.19571	69.9
365.23273	100.0
367.22479	2.5
385.23691	2.3
459.27509	6.1
477.28314	6.5
527.28589	2.2
527.75586	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.4
56.05038	1.6
57.03444	1.4
58.06606	2.2
65.03957	2.4
67.05515	2.1
68.05039	3.7
69.03426	2.6
70.06599	10.7
71.03374	2.4
72.08179	1.8
73.02909	1.7
79.05544	1.8
81.03424	2.1
82.06596	12.4
83.07364	3.3
84.04517	1.7
84.08160	12.5
85.02899	4.1
86.09711	3.3
88.03996	6.2
91.05490	4.8
93.03416	7.2
94.06564	1.9
95.04989	2.4
97.02915	2.6
100.07632	1.8
107.04957	3.7
109.02880	1.4
116.07115	3.0
119.04949	6.6
121.02890	10.8
121.06513	2.3
122.06017	1.8
124.07684	2.0
128.07095	64.8
129.10287	1.9
133.06447	1.5
135.04384	1.7
136.07535	1.4
137.02341	2.1
137.06013	8.6
147.04443	20.1
147.72908	1.3
148.07631	1.5
149.02382	1.6
151.03876	1.7
161.06009	1.5
165.01849	1.7
173.06027	3.0
175.04039	2.3
177.01842	3.4
177.05489	2.5
187.03972	3.6
187.07503	1.4
189.01871	3.9
191.03453	3.2
195.02980	1.7
199.03957	2.0
201.01813	2.1
201.05505	2.8
203.03418	8.8
205.05011	3.0
207.02898	5.9
213.05598	1.8
214.08788	1.6
215.03406	5.4
215.07069	1.6
217.05017	3.2
219.02957	3.8
221.04454	3.1
225.05603	1.8
228.06613	3.5
229.05054	4.5
229.08804	2.3
230.08212	3.3
231.02950	2.6
233.04434	2.9
234.07669	1.8
239.07077	1.7
239.86978	1.3
241.04884	3.1
242.08237	2.2
243.02969	3.0
243.06599	3.0
244.06169	4.6
245.04391	2.3
246.07640	14.4
247.06244	2.1
253.04971	2.7
255.02896	3.0
255.06451	2.2
256.09866	2.2
257.04413	2.4
259.06003	1.6
261.04056	2.9
269.04459	2.3
271.06076	3.6
273.03970	3.5
276.08707	7.8
280.08264	2.5
281.04379	1.8
283.06064	2.4
284.09201	1.7
285.03989	3.8
286.10922	1.6
287.05545	2.6
292.08154	19.1
292.11282	1.6
295.06104	3.6
296.06351	1.8
297.06839	2.5
299.05603	1.7
300.08655	8.1
303.04922	2.2
304.08258	2.7
311.05423	1.9
312.08728	7.4
314.10312	3.9
315.05148	2.1
322.09357	5.7
324.08380	1.7
330.09949	1.9
335.09344	1.5
342.09750	6.8
346.09280	16.6
358.09293	10.4
360.10745	8.0
369.14221	1.5
370.09351	1.8
381.09268	2.2
388.10339	6.2
406.11444	17.2
412.14075	17.7
424.12405	14.3
429.11066	1.9
442.15009	12.1
466.15054	36.3
478.15121	3.6
490.14807	2.0
496.16083	18.7
508.16324	9.9
526.17181	56.8
544.18231	100.0
562.19720	4.0
562.29205	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.2
55.01869	6.8
55.05517	24.5
57.03425	6.3
57.07079	2.5
57.32544	1.8
65.03935	3.3
67.05511	67.2
69.03419	2.0
69.07072	16.3
69.92313	8.2
70.67319	1.7
71.04988	3.8
71.08628	4.5
79.05501	52.2
81.03419	6.3
81.07063	65.2
82.09151	1.7
83.04990	5.7
83.08630	12.1
85.06554	2.5
87.19037	1.9
91.05493	32.2
93.07054	69.4
95.04978	10.4
95.08620	69.2
97.02883	4.3
97.06523	7.9
97.10175	5.3
98.21476	2.4
99.04464	4.7
99.08099	4.2
105.04531	2.1
105.07043	26.4
107.04975	9.0
107.08592	39.9
109.06512	5.6
109.10176	19.8
111.08073	3.9
115.05482	2.3
117.07021	13.3
119.08595	23.4
121.06515	7.9
121.10152	30.3
123.11694	6.0
125.05997	2.6
129.06990	4.1
131.08572	9.5
133.06497	2.5
133.10132	13.2
135.08072	3.5
135.11707	53.0
139.07550	2.0
143.08575	3.9
145.10135	32.3
147.11716	4.6
149.09627	2.1
149.13286	7.0
151.11230	2.2
155.08588	2.7
157.10165	2.9
158.99142	2.1
159.11703	8.8
161.13293	4.3
163.11198	48.8
163.14841	5.3
169.10190	2.8
171.11661	2.3
173.13254	3.0
175.14833	3.2
181.12257	12.8
209.11780	2.6
227.12814	100.0
238.81190	2.3
243.21126	4.7
261.22189	18.5
275.74466	1.8
277.21600	3.7
279.23181	2.8
280.87985	2.2
283.15445	52.6
283.18555	2.8
293.21136	3.4
312.41077	2.1
317.24713	7.7
333.24213	2.5
335.25824	73.8
406.36307	2.0
469.33362	4.1
525.36029	3.2
543.36865	53.1
561.38806	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	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.0
54.08838	3.5
55.01876	5.5
55.05514	30.0
57.03442	14.9
57.07065	7.0
65.03958	4.5
67.05509	81.1
67.25684	2.7
69.03428	5.2
69.07075	24.1
71.04998	9.4
71.08612	7.0
71.52547	4.9
77.80061	2.8
79.05501	68.4
81.03426	15.0
81.07063	90.2
83.04980	8.8
83.08612	22.7
91.05495	38.5
93.07050	87.1
93.07638	5.6
95.04977	15.0
95.08617	83.7
97.02886	3.7
97.06535	11.3
97.10175	9.7
99.04457	4.6
99.08087	7.7
105.07048	27.3
107.04984	14.8
107.08607	54.3
109.06521	5.1
109.10146	25.5
111.04463	3.1
111.08105	4.0
113.50079	3.7
117.07037	15.1
119.08594	31.0
121.06522	9.6
121.10149	34.4
123.11731	7.0
125.05977	3.3
125.09697	4.1
131.08597	14.3
133.10136	19.9
135.04434	3.0
135.08069	5.6
135.11703	63.6
143.08537	4.4
145.10107	34.8
147.11696	10.3
149.09616	4.2
149.13258	11.5
151.11209	5.5
152.79005	2.9
157.10106	6.3
159.11703	8.6
161.13292	6.4
163.11191	62.9
163.14917	3.7
173.13213	5.3
179.14304	12.7
181.12289	13.4
187.14841	5.8
193.12285	3.7
227.12810	100.0
229.14059	3.0
243.21048	5.3
261.22137	26.5
267.15961	8.7
269.16977	2.9
277.21606	12.8
283.15384	47.0
293.21103	4.5
317.24686	5.9
335.25812	99.2
351.24997	3.7
469.33496	4.8
543.36841	78.2
561.24677	4.4
561.37952	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.01863	9.5
55.05515	29.3
57.03427	11.3
57.07080	2.7
65.03931	5.8
67.05507	89.8
69.03420	4.2
69.07069	23.1
70.96437	6.7
71.04993	5.3
79.05497	73.0
79.31125	2.2
81.03418	8.5
81.06587	5.1
81.07058	83.6
83.04981	7.5
83.08631	17.4
84.04501	8.7
85.06518	3.5
91.05489	39.6
93.07050	83.8
95.04967	17.0
95.08611	86.0
97.02939	3.0
97.06516	5.5
97.10188	12.4
99.04469	4.0
101.95595	2.8
105.04519	4.7
105.07039	34.8
107.04981	13.1
107.08603	56.5
109.06525	6.8
109.10148	26.7
111.08085	4.1
113.05990	3.3
116.07089	4.0
117.07014	24.3
119.08592	28.6
121.06512	11.9
121.10152	38.1
123.08031	3.6
123.11702	9.3
125.09634	6.9
129.06981	6.1
130.07796	3.3
131.08553	25.0
133.10144	18.9
135.08052	4.8
135.11696	58.2
143.08600	8.0
144.06566	10.8
145.06787	3.7
145.10130	39.7
147.08020	3.5
147.11685	12.3
149.09650	4.6
149.13293	11.7
153.12776	2.8
157.10143	3.7
159.11717	11.3
161.13237	5.8
163.11179	59.5
163.14835	3.8
171.11641	3.0
173.09694	2.8
173.13263	9.5
175.14752	2.9
181.12276	12.1
185.13145	3.0
187.14827	5.0
193.12328	2.7
193.19276	2.5
199.14853	3.2
209.11653	5.7
227.10529	4.8
227.12793	100.0
243.21074	8.3
261.22171	24.1
267.15887	2.8
277.21744	4.9
283.15384	61.5
290.72781	2.6
293.21051	3.2
299.23752	3.3
315.23218	4.3
317.24707	9.8
335.25800	85.6
339.23428	2.7
349.23932	3.1
433.30948	3.0
451.31876	5.8
469.33075	6.5
487.33792	4.9
525.35730	5.1
543.36829	74.0
561.25146	4.2
561.37836	43.5
574.09265	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	561.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05759	1.7
51.46656	1.9
53.03933	8.2
55.01878	13.3
55.05516	36.2
57.03440	12.4
57.07078	2.4
59.04979	3.5
65.03953	4.8
67.05509	93.5
69.03432	5.9
69.07071	27.7
69.17731	5.2
69.18136	14.4
71.01353	1.9
71.04994	8.6
73.01112	2.1
73.02894	3.1
79.05499	69.3
81.03423	17.6
81.06589	4.0
81.07062	75.0
83.04981	19.0
83.08622	20.9
85.02899	5.5
85.06548	4.8
91.04901	2.7
91.05489	55.8
93.07050	75.6
93.07645	3.8
95.04986	14.6
95.08611	53.8
97.06510	10.6
97.10181	16.1
99.04482	3.6
99.08134	2.9
105.04533	2.2
105.07033	47.5
107.04971	8.7
107.08595	41.8
109.02864	4.8
109.06534	6.6
109.10168	36.8
110.40070	1.7
111.04451	16.4
111.08110	6.8
115.05486	3.2
117.07025	23.3
119.08595	33.2
121.06504	6.5
121.10143	38.8
123.08100	5.7
123.11726	7.9
125.06053	2.5
125.09652	11.1
127.03936	2.9
128.06233	3.9
129.07016	12.5
131.08583	32.0
133.06578	4.2
133.10138	24.8
135.08060	6.1
135.11688	23.5
137.05983	2.9
137.09685	4.5
139.11192	5.5
141.07019	2.2
143.08591	12.4
145.06477	4.4
145.10149	29.8
147.08102	6.3
147.11684	16.3
149.09656	7.9
149.13263	8.1
151.11163	3.5
153.12770	7.0
155.08565	6.9
157.10124	9.8
159.11713	14.6
161.09613	2.3
161.13284	8.8
163.11232	18.9
163.14850	4.0
169.10220	4.4
171.11655	9.2
173.09653	6.5
173.11946	2.9
173.13268	11.3
175.11147	4.9
177.12758	1.8
181.10123	3.2
181.12216	9.7
183.11676	3.6
185.11784	2.1
185.13322	5.8
187.14854	4.8
189.11266	3.6
191.10742	8.4
193.12209	4.6
197.13330	2.4
199.14903	5.0
201.16374	4.1
209.11777	5.9
219.17615	2.4
227.12794	12.8
229.14369	5.9
235.17081	2.7
241.19394	2.3
243.21040	3.6
245.13901	4.2
257.59930	2.1
259.20593	3.0
261.22235	14.8
267.15833	4.4
271.20480	3.0
275.19852	2.5
277.21680	5.6
283.15466	16.2
285.22058	3.9
289.21707	4.9
297.22089	4.1
299.23810	4.0
301.21841	2.2
315.23209	5.3
317.24768	5.2
327.23270	4.2
333.24164	3.3
335.25714	12.7
337.78934	1.9
345.24203	2.9
361.23907	2.9
389.26654	2.3
394.85403	2.3
406.81033	2.6
433.31076	5.2
451.32150	11.2
469.33188	12.1
487.33975	4.8
515.37360	3.3
525.35840	14.2
543.36835	60.2
561.27283	10.2
561.37817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	0.3
58.06609	0.3
60.04519	0.7
67.05512	1.0
69.03438	0.2
69.07072	4.4
70.06593	2.2
70.43012	0.7
71.05004	0.4
72.04528	0.4
72.08167	0.2
74.02436	0.4
75.70898	0.3
78.05443	0.2
81.07044	0.3
84.08149	11.1
85.08927	0.8
86.09712	100.0
91.05489	0.9
95.04978	2.1
96.08140	0.5
97.06535	0.5
98.09721	0.3
102.09206	0.3
107.04969	0.3
110.09667	0.4
112.07611	2.4
113.10773	0.9
117.07006	0.3
119.04964	2.0
119.07312	0.3
121.06483	0.3
123.04427	0.7
124.07602	0.9
128.10728	21.4
131.04927	0.4
131.07283	0.3
132.08084	0.7
133.06482	0.3
134.06044	0.3
135.04372	0.3
136.07579	3.1
141.10216	1.7
146.06015	0.8
147.04398	1.4
152.14377	0.7
154.08592	0.3
154.15959	0.4
154.58182	0.2
155.11871	0.3
156.10213	3.7
156.11343	0.3
157.13301	0.3
159.06763	0.5
160.07616	1.8
161.05936	0.3
161.09642	1.0
163.03934	0.2
165.05469	1.3
169.16960	0.3
171.04472	0.3
173.09662	0.4
174.05548	0.3
174.12828	0.7
177.09108	0.3
180.13835	1.7
182.08109	2.9
185.09636	1.2
187.11256	0.4
189.05537	1.0
189.09113	12.6
190.12267	0.5
197.16522	3.0
202.12280	17.7
206.08121	0.6
206.11723	0.3
208.13306	1.8
212.10759	0.4
213.09116	1.4
219.10248	0.2
219.14859	1.0
220.06129	0.5
220.13368	0.5
225.16000	6.2
225.19540	0.5
229.13428	0.6
230.11827	0.9
231.10172	11.9
234.07414	0.3
247.14487	0.6
248.12843	18.0
249.15968	0.2
253.19170	0.3
258.11258	0.6
264.57245	0.2
265.15494	7.7
267.17044	13.7
275.13962	2.1
276.12317	1.3
293.15009	1.8
295.16547	7.9
295.65393	0.2
302.04233	0.6
315.20755	0.6
333.14386	1.1
352.26123	1.7
361.16714	0.5
361.21234	10.2
371.19458	0.4
378.23853	3.6
380.25513	2.5
388.22440	1.6
389.20764	2.7
399.10715	2.2
406.23401	32.0
407.23502	0.3
434.22711	1.0
448.24518	2.8
467.91354	0.3
482.30402	0.6
517.34106	0.3
533.33350	0.5
543.31671	0.9
552.90314	0.2
561.32867	20.1
562.33398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.05513	12.8
57.03429	1.2
57.05816	2.2
61.37186	1.1
67.05493	3.8
68.99772	1.2
69.07065	8.4
69.48202	7.5
70.06590	5.1
72.08160	93.8
79.05496	2.3
81.07053	3.8
84.08150	14.6
85.02901	3.3
85.08923	1.5
86.09710	100.0
86.70505	1.1
91.05490	1.8
93.07047	2.8
95.04958	3.4
95.08574	1.8
98.20787	2.6
105.07020	2.3
107.08575	2.3
112.07603	4.8
117.07070	1.5
119.04971	4.5
121.10160	2.7
123.11678	2.2
124.07584	1.4
127.08692	2.7
128.10768	1.7
130.64659	1.2
131.08614	1.4
132.08142	1.6
136.07591	6.6
137.05994	2.0
142.12286	36.3
145.06435	1.1
145.10155	1.4
147.04430	3.7
148.29764	1.1
156.89171	1.2
160.07623	2.7
161.06100	1.3
161.09596	1.9
161.86127	1.2
165.05487	4.5
166.12267	4.8
170.11728	8.4
177.05466	1.5
182.08159	7.2
183.14911	4.8
185.09634	1.5
189.09084	18.1
194.11824	1.8
202.12296	23.4
209.16386	1.3
211.14417	10.1
213.09151	2.7
219.17662	1.4
225.15938	3.4
231.10173	17.6
248.12830	26.6
265.15506	15.1
267.16940	1.5
275.13867	3.4
276.12134	1.9
281.14996	9.1
281.18600	23.8
293.14856	4.2
319.12845	2.0
347.19617	13.8
352.26230	3.3
364.22424	6.2
374.20609	2.2
375.19171	4.0
380.25354	4.1
392.21808	63.0
406.23264	1.8
462.26282	3.5
525.36652	1.8
533.33282	1.5
561.32861	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	561.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.8
53.03930	1.1
55.01871	1.6
55.05513	4.5
57.07071	3.5
65.03953	1.0
67.05514	5.6
68.73161	0.7
69.06734	1.2
69.07075	16.6
71.08614	1.8
71.52262	0.8
71.52661	1.0
77.03891	0.8
79.05490	7.8
80.36120	0.9
81.03432	4.1
81.07051	9.4
83.04965	1.8
83.08640	4.3
84.32928	0.8
84.77735	0.7
91.05486	5.3
93.07067	4.2
95.04986	2.0
95.08611	8.3
97.10149	2.2
103.05473	3.2
105.03349	0.8
105.07044	3.5
107.04915	1.1
107.08601	3.2
109.10159	2.4
115.05447	5.5
117.07021	5.6
119.08611	2.8
121.06484	2.3
121.10118	1.7
122.03629	0.8
123.11690	1.8
128.06206	3.9
129.07007	10.2
131.04926	8.8
131.08574	3.0
133.10155	1.7
135.04428	100.0
135.11678	2.2
137.05997	5.3
137.13261	2.5
141.06989	2.4
142.07762	1.4
142.82983	1.0
143.04906	4.0
143.08560	4.5
145.06493	9.3
145.10149	4.4
147.04370	1.6
147.08052	2.1
149.02367	5.5
149.05952	4.6
149.09544	1.2
151.07591	5.7
155.06038	1.1
155.08559	2.4
156.09325	1.5
157.06494	11.4
157.10161	3.2
158.07248	1.5
159.04506	2.0
159.08060	3.7
160.05220	1.3
161.06013	5.3
163.07549	4.7
165.05513	2.2
167.08551	1.2
169.06535	2.4
169.10106	1.5
171.08020	4.0
171.11749	1.5
172.08827	2.3
173.05989	24.1
173.09589	4.6
174.06836	0.9
175.07556	11.3
177.09077	2.5
181.06595	2.1
181.10065	1.1
183.08092	1.9
184.08888	1.5
185.05969	5.1
185.09621	4.0
185.13268	1.0
186.06728	2.7
187.07559	13.0
187.11230	2.1
188.08319	1.4
189.09164	5.9
191.07022	1.7
191.10684	2.9
195.08014	1.7
197.05925	1.2
197.09677	3.4
199.07547	1.6
199.11208	2.4
200.08389	1.0
201.05582	1.0
201.09114	7.8
202.09767	2.3
203.07053	12.3
203.10648	8.2
205.08562	1.3
205.12238	6.5
209.09561	1.5
211.07515	1.3
211.11119	2.1
213.09137	2.5
214.09627	1.1
215.07027	8.7
215.10628	6.9
216.11543	0.9
217.08624	1.2
217.12224	13.7
219.10207	2.4
219.13791	4.7
221.09679	1.0
223.11092	1.5
225.09128	1.9
225.12703	1.4
227.10689	3.3
229.12231	4.1
231.13788	4.4
233.08104	3.5
239.10608	1.3
239.14319	1.8
241.12227	2.5
241.15990	1.0
243.13753	2.1
244.14505	1.2
245.15413	1.6
253.12279	1.5
255.13873	2.1
257.15421	1.6
259.16821	2.0
267.13684	2.1
269.15326	1.2
271.16980	7.3
273.18500	11.0
277.21585	1.5
285.14908	1.6
287.16425	1.7
289.17859	1.4
299.20038	2.6
313.21606	3.8
315.23163	1.5
321.10931	1.5
323.20142	1.2
325.21533	1.3
331.09634	1.0
339.23224	2.1
341.24878	5.8
351.12372	1.1
353.20981	1.0
355.22501	1.5
357.24255	1.4
369.13657	1.2
379.15628	2.1
401.17282	1.7
407.18826	1.6
419.18402	3.5
421.27332	1.8
425.19730	1.3
437.19553	3.9
475.24603	1.8
493.26089	4.9
503.27878	5.8
505.25482	1.7
525.29865	1.6
543.30493	12.5
543.37091	2.0
561.31775	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	561.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45224	0.5
53.03949	0.9
55.01887	0.6
55.05514	0.9
60.91979	0.5
61.02934	1.6
67.05506	1.6
68.39127	0.5
69.03424	1.0
69.07059	2.0
69.07409	0.6
69.63487	0.8
69.63882	3.4
70.06643	0.7
71.05023	0.6
79.05466	1.4
81.03410	0.8
81.07085	1.5
82.00317	1.1
85.02929	2.8
85.60627	0.5
91.05485	0.9
93.07044	1.4
95.04943	0.8
95.08601	1.2
97.02908	1.0
97.06530	4.1
97.96934	0.6
99.32178	0.6
105.07031	1.5
107.08611	1.9
109.06581	0.7
109.10139	0.7
116.65962	0.6
119.08563	1.6
121.06509	0.6
121.10098	0.7
127.00025	3.0
127.03899	0.9
133.10146	0.6
133.23602	0.6
135.04497	1.0
137.02335	0.6
137.06035	1.0
140.00797	0.7
141.05255	2.1
145.04837	0.6
145.06581	1.2
145.10159	1.2
147.04398	0.7
153.01727	0.7
160.05031	1.0
161.05858	1.1
161.09561	0.8
163.03880	0.6
165.01974	0.7
165.05559	0.9
169.01135	2.2
169.04771	3.1
169.06241	0.5
183.02676	1.2
185.09500	0.6
187.11212	0.6
203.05328	2.5
215.06728	0.7
225.09290	0.7
227.05336	2.5
243.04723	3.0
245.04305	1.1
245.06416	6.4
254.03607	0.6
255.04863	0.8
257.04501	0.7
271.04300	1.2
273.04095	1.6
287.03732	17.7
289.05325	68.8
295.16733	1.4
299.05518	1.5
301.03400	3.0
303.05011	1.3
311.12787	0.7
313.03400	6.6
313.17703	0.8
355.08002	5.0
369.13379	0.8
394.65494	0.6
399.10779	29.7
415.10168	0.7
423.16119	1.8
463.98187	0.8
475.23660	1.0
517.24255	10.0
561.23132	100.0
562.23676	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	561.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
54.30503	0.8
55.01861	1.1
58.06591	2.9
67.01878	1.0
69.03428	2.0
70.06595	1.8
70.22180	3.6
72.04514	3.7
72.08144	1.0
79.05485	1.7
81.03419	1.2
82.06580	1.1
84.08111	0.9
85.02907	5.8
86.09711	2.4
91.05488	1.4
93.03413	1.5
93.53307	1.0
95.04996	1.1
97.02879	4.8
98.21512	0.9
103.03907	1.7
105.07060	1.4
107.04946	3.1
109.02879	1.4
115.05482	2.4
117.05717	1.7
117.07030	2.2
119.04940	1.5
121.02880	3.9
121.06516	1.0
123.04430	2.0
124.00136	0.9
127.03949	1.5
128.07091	6.4
129.07443	1.2
131.04930	3.0
132.08076	2.3
133.05290	1.0
133.06488	2.0
135.04459	4.2
135.05333	1.0
139.03917	3.9
141.62654	0.8
143.07343	1.1
144.08102	1.3
145.06487	4.5
146.06047	6.6
147.04408	1.9
148.07597	4.2
149.02383	1.6
149.06021	1.5
151.03870	5.8
155.06104	1.5
159.04440	4.6
159.06723	1.6
160.07587	80.9
161.06053	2.5
163.03911	9.5
165.05513	1.2
167.03400	1.9
170.06036	2.2
172.07578	56.9
173.05988	1.5
173.08345	4.8
174.09195	7.2
175.03909	10.0
177.05453	11.0
179.54166	0.9
181.04968	30.7
184.07599	3.6
186.09245	1.8
187.03915	7.2
189.05447	1.8
190.08655	15.7
191.07056	2.9
193.04955	31.4
196.07690	1.2
197.05998	1.8
199.03943	2.3
200.09454	5.5
201.05493	5.8
201.10291	8.6
202.08626	23.7
205.04965	18.5
207.06541	2.4
211.36707	1.2
213.05399	2.3
213.10323	1.7
214.08589	1.2
215.06972	1.3
215.31668	0.8
217.04909	4.5
219.06665	12.1
219.11292	100.0
221.04500	2.7
223.06009	23.7
223.08174	1.2
225.05539	1.7
229.04997	2.9
231.06570	3.9
231.11304	24.3
233.08153	2.7
235.05980	5.5
241.04922	1.8
243.06480	3.3
247.06029	22.0
253.04956	2.2
259.05984	9.9
261.07605	1.9
266.08014	0.9
271.06003	7.9
277.07059	12.5
289.07083	19.3
307.08157	6.9
325.09167	22.4
338.10120	0.9
340.11841	1.3
343.10266	29.5
349.09094	1.2
350.10211	2.4
352.11938	2.2
364.11981	1.6
376.11514	1.2
382.12909	5.9
388.11868	1.2
391.31213	1.0
399.16220	1.1
406.12979	1.6
416.13565	1.6
419.05014	1.0
430.12827	0.9
436.14017	1.1
441.16599	5.4
446.12619	0.9
466.14972	3.5
484.16135	14.5
502.17114	15.0
508.16415	1.4
525.18622	1.4
543.19720	15.6
544.18622	1.2
561.20496	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1947
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
61.34821	0.2
70.06579	1.0
71.52067	0.4
72.08153	0.4
74.06012	0.3
81.03154	0.3
83.01107	1.0
84.01901	0.4
84.08150	1.5
85.08472	0.4
86.09722	0.5
87.61114	0.3
91.05492	0.7
95.01108	2.2
96.01869	0.9
97.02669	0.4
103.05463	0.4
112.01353	1.2
113.02134	3.2
116.07113	0.5
119.04963	0.6
126.02882	0.4
131.04933	1.7
137.05971	0.4
141.05229	0.4
147.04428	0.4
147.13298	0.2
157.04733	0.7
167.03218	0.6
185.04251	5.4
185.05772	0.9
201.03749	1.7
202.06012	5.5
203.05258	2.4
203.06763	0.3
332.07370	0.5
347.09662	0.4
351.12238	0.4
365.11963	1.2
400.13870	0.3
441.11917	0.3
525.13971	0.3
544.17938	0.3
561.19482	100.0
562.19849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
57.03435	0.7
64.92933	0.7
67.01853	1.4
69.31346	1.4
69.31760	5.2
70.06591	1.1
72.04528	3.6
72.08127	0.9
81.03374	1.1
85.02897	3.7
86.09686	1.0
91.05469	1.9
93.03413	1.9
95.04946	1.3
97.02898	3.5
103.05417	1.1
105.03429	0.9
107.04942	1.7
109.02895	1.5
111.04442	1.1
115.05453	2.6
117.05737	1.0
117.07037	2.1
119.04929	0.8
121.02918	3.6
123.04414	1.7
127.03960	1.0
128.07109	0.9
131.04933	2.5
132.08080	2.8
133.06462	0.6
135.04439	3.5
137.02415	0.9
139.03911	3.1
144.08089	1.5
145.02863	0.8
145.06503	3.7
146.06047	4.6
146.09628	0.7
147.04413	3.8
148.07619	4.1
149.02350	1.4
149.05945	1.3
149.09558	0.8
151.03920	7.1
153.05426	0.8
154.06572	1.3
155.06058	1.0
157.06288	0.7
159.04443	4.5
159.06845	1.9
160.07597	69.6
161.05952	1.4
163.03928	6.3
165.05423	0.9
167.03355	1.4
167.07083	1.3
169.06541	0.8
170.05980	1.0
171.06656	0.9
172.07588	46.0
173.06003	1.1
173.08353	3.2
174.09148	7.1
175.03917	9.4
177.05490	10.8
181.04987	24.4
184.07541	4.8
186.09148	1.5
187.03957	7.1
189.05484	2.8
190.08643	13.7
191.07034	3.7
193.04990	28.9
196.07594	1.7
197.05945	0.9
197.08342	0.9
199.03929	1.9
200.09482	4.7
201.05434	6.3
201.10258	8.6
202.06873	1.5
202.08646	19.0
205.04984	19.0
207.06584	1.4
208.09692	0.9
212.07100	1.0
213.05510	2.2
213.10115	0.9
214.08646	0.9
215.07190	1.3
217.04935	3.6
219.06715	9.7
219.11301	100.0
221.04401	1.3
223.06026	21.6
225.05482	1.6
229.04866	3.8
231.06525	3.1
231.11304	24.9
233.08095	1.8
235.06015	3.9
241.04922	2.3
243.06680	3.5
247.06064	19.0
253.04944	2.3
254.10281	3.0
259.06042	8.0
261.07486	1.6
271.05991	6.3
277.07095	11.3
289.07101	15.8
307.08206	6.3
322.10724	1.0
325.09186	21.3
332.09354	0.8
338.10147	0.9
340.11771	1.3
343.10269	27.9
350.10272	3.1
352.11746	1.3
376.11768	0.9
382.12900	4.2
404.12222	0.7
406.12924	1.7
416.13748	1.1
418.12936	1.7
430.13452	0.9
441.16580	7.3
466.15118	2.1
484.16095	16.3
502.17191	16.7
508.15829	0.8
525.18481	2.3
526.17218	0.9
543.19879	12.9
561.12115	1.9
561.20795	34.3
562.19873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.38
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46289	8.8
55.05511	15.5
55.63359	9.4
67.05512	63.6
70.56988	30.2
72.08167	11.1
79.05511	30.2
81.07061	65.8
84.79716	9.8
91.05511	25.0
93.07050	32.4
95.08606	36.1
105.07039	16.9
107.08587	27.2
107.74146	10.2
109.10145	18.6
118.87693	12.7
119.08595	19.9
121.10171	20.6
131.08594	21.1
133.10168	21.4
135.11746	24.1
149.13362	9.1
157.02959	9.6
163.14835	10.8
173.13297	19.3
207.91682	11.3
243.21176	27.3
261.22174	100.0
335.25842	24.7
353.26785	36.6
545.18268	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	560.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18670	0.2
55.01870	0.6
57.03449	0.3
58.06591	1.0
65.03938	0.8
69.03426	0.9
70.06579	0.8
70.45467	0.3
70.45826	0.6
72.00021	0.2
72.08138	0.3
73.02902	0.2
74.55632	0.2
79.05499	0.3
81.03424	3.0
81.07056	0.6
82.06593	0.5
82.42013	0.2
83.05006	0.2
84.08151	1.9
85.02895	1.1
86.09680	0.4
88.03997	6.6
91.05491	6.7
93.03390	0.4
93.07053	0.5
95.05005	0.4
95.08620	0.5
97.02879	0.6
99.04445	0.3
99.88203	0.2
105.07009	0.5
109.02883	1.4
109.10162	0.5
113.65417	0.2
116.07104	0.8
119.04958	14.7
119.08585	0.4
121.02884	5.0
121.06532	1.9
121.10136	0.4
124.07596	2.4
125.06000	0.4
127.03943	0.4
128.07094	3.7
129.07007	0.3
131.08582	0.8
136.07603	0.4
137.05989	12.7
137.09561	0.2
141.00053	0.2
142.99649	0.3
147.04424	60.8
147.08060	1.9
149.05986	2.4
149.09608	0.7
151.03917	0.8
151.07556	2.7
153.05476	1.9
159.08090	1.9
161.05995	6.7
161.09863	0.2
164.07101	0.4
165.05472	1.5
165.09135	0.8
175.07568	5.2
175.09938	0.2
177.05533	0.3
177.09113	4.6
190.12302	0.9
203.07065	4.4
206.11781	13.4
208.13297	0.4
221.08089	3.1
237.02853	0.2
244.31279	0.2
252.12331	100.0
253.12685	0.5
259.63873	0.2
291.08615	2.4
309.09702	1.9
414.17621	0.9
542.19843	0.3
560.21271	10.7
560.37671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
59.40615	0.3
60.04517	0.5
65.03956	0.4
68.74074	0.3
69.76279	1.7
70.06585	1.4
72.08156	0.3
81.03431	0.5
82.06580	2.4
83.34717	0.3
84.08159	1.1
85.02908	1.0
86.09721	0.4
86.14449	0.3
88.04007	1.8
97.02878	0.4
98.20829	0.5
103.03964	0.6
109.02912	0.4
121.02882	9.3
121.03881	0.6
123.04522	0.3
128.07074	2.9
131.04955	0.8
137.02371	0.3
141.07028	0.4
147.04405	0.3
152.30730	0.3
153.01863	0.9
159.08049	1.5
165.01855	3.1
177.01875	0.5
177.68771	0.3
179.03462	0.6
183.02892	0.8
191.03474	0.7
195.02902	1.9
197.06023	0.7
200.10724	4.7
200.77806	0.3
207.02925	0.6
207.07970	0.4
217.04909	0.3
219.02887	1.0
223.07582	0.4
226.08881	0.4
231.03012	0.5
233.09502	0.3
243.02831	0.4
249.03957	0.7
251.07108	0.4
261.04010	1.0
263.06949	0.3
267.06531	0.6
277.08691	0.4
281.08093	0.8
282.05170	0.6
283.05930	2.6
284.06815	0.5
289.08694	1.3
291.06467	0.5
292.07388	1.0
293.08191	1.0
294.05362	0.8
295.06058	4.0
296.06757	0.6
297.07788	0.5
303.10114	0.3
305.08087	11.8
305.11545	0.7
306.08759	3.0
307.06094	2.6
307.09665	1.3
308.06796	0.7
309.07574	2.1
313.07156	1.2
317.08182	2.4
317.11462	0.4
319.06033	0.9
319.09729	4.5
321.07642	1.0
321.11188	0.8
323.09085	4.1
325.07086	5.2
329.08023	0.4
330.08685	0.3
331.09564	0.8
333.07608	2.3
334.08450	0.6
335.09155	19.3
337.07071	1.5
337.10876	1.9
345.07538	0.6
345.11343	2.8
346.10782	0.9
347.09113	3.3
348.12210	0.3
349.07065	1.0
349.10876	0.8
351.08560	0.7
353.10263	1.7
359.09082	3.5
361.07101	1.2
363.08569	1.8
364.11929	0.5
365.10144	4.3
367.08307	0.5
371.09140	1.8
373.10828	1.6
375.08896	0.5
376.11920	3.3
377.10406	1.0
378.13443	0.7
379.08231	1.0
380.08594	0.4
380.99637	0.4
381.09772	0.4
389.10068	1.8
391.08005	1.1
393.09628	0.6
394.12915	9.1
398.17041	0.4
401.10199	3.7
403.12033	0.6
406.12903	1.7
409.09171	1.0
410.12305	0.4
414.12875	0.5
418.13052	1.1
419.11313	5.8
421.08597	0.3
424.13919	4.0
427.10190	0.4
430.12885	0.4
437.12347	2.6
440.13376	5.8
442.13031	0.6
445.11349	3.9
448.14133	0.3
455.12958	0.5
460.13794	2.2
464.13232	0.5
470.14554	1.7
478.14905	3.8
493.11285	0.5
496.15976	3.5
506.14572	0.5
514.17145	4.9
520.27423	0.3
524.15381	1.6
542.16577	6.9
560.17676	100.0
561.18323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
57.41778	0.7
70.06591	1.6
71.51968	1.2
82.06593	3.9
84.08154	9.7
85.02924	0.9
88.03992	2.7
100.07620	0.7
103.85904	0.7
117.41478	0.7
119.04933	1.5
121.02887	14.2
128.07095	10.9
136.58527	0.9
142.90918	0.7
145.02911	2.9
165.92325	0.7
171.04419	0.9
187.03949	1.6
189.01888	0.7
189.05478	1.6
191.03438	0.8
203.03476	1.3
205.04994	1.3
211.07466	0.7
213.05421	0.8
215.03560	1.2
217.05043	2.7
227.03551	0.9
229.05005	1.2
231.02951	1.5
241.04985	1.0
243.02869	1.0
244.57291	0.8
245.04599	1.2
253.05067	1.0
255.02789	0.9
265.04868	0.9
267.06555	1.5
269.04507	1.1
270.45929	0.8
283.06161	1.8
292.07507	1.1
293.08170	1.2
294.05203	2.2
295.06049	11.3
305.08124	4.0
306.08759	1.0
307.06104	9.9
307.09787	3.0
308.06772	1.6
309.07693	8.2
317.08148	4.0
319.06186	1.8
319.09683	0.9
320.06961	1.8
321.07635	6.6
322.08359	1.0
323.09164	8.4
325.07162	3.9
329.07901	3.7
331.09521	1.7
333.07550	6.0
334.08383	1.6
335.09116	10.9
337.07056	3.4
337.10675	1.6
339.08774	1.5
342.09399	0.9
345.07727	2.3
346.10889	2.7
347.09177	7.4
348.12320	3.9
349.06995	3.9
349.10828	2.8
353.10333	2.2
357.11484	1.6
359.09308	1.7
360.12469	1.4
361.07178	4.2
361.10913	1.5
362.10236	2.6
363.08612	5.3
364.11838	3.2
365.10229	5.0
367.08133	1.1
371.09271	1.4
373.10831	2.8
375.08688	2.2
375.12717	1.3
376.11667	1.2
377.10132	2.0
378.13409	1.7
379.08151	4.0
383.09079	1.6
385.10767	1.2
387.08780	2.4
389.10187	3.6
391.08334	2.8
392.11337	1.2
394.12961	5.2
401.10352	3.2
402.13391	1.3
403.12372	0.9
404.15536	0.9
405.09692	1.4
407.11267	1.1
409.09326	1.7
410.12469	8.6
413.10187	1.1
414.13626	1.4
415.08182	2.3
418.13019	4.1
419.11243	1.7
421.09598	1.4
424.14078	1.5
430.13025	2.6
431.11435	1.8
432.14392	1.7
433.08926	1.6
437.12183	1.2
440.13510	13.4
442.12866	1.3
445.09167	0.9
447.10541	1.2
449.12570	1.1
457.09232	1.2
460.13791	2.4
464.13635	7.5
465.11972	1.0
469.29114	0.9
470.14709	3.0
475.10681	1.6
478.14883	5.2
480.17123	1.0
488.13718	1.6
494.14655	6.5
496.16119	4.8
498.17789	1.7
506.14444	3.8
524.15656	31.4
542.16669	100.0
543.16553	1.1
560.17712	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	560.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45440	0.9
56.05034	3.9
60.42794	0.9
61.02927	1.2
65.38734	1.0
67.05516	2.4
68.05033	1.5
69.41473	2.0
69.41885	4.3
70.06601	2.4
73.02927	1.1
74.02438	1.4
81.03439	1.9
82.06567	3.0
84.08151	20.3
85.02908	2.6
86.09694	1.8
91.05476	1.0
95.04935	1.0
103.03958	1.4
107.04984	2.5
109.02860	1.3
119.04948	5.9
121.02878	21.6
128.07083	3.2
130.08672	3.3
145.02859	4.3
161.02411	1.5
163.03926	1.5
165.01886	1.4
177.01826	2.2
179.03386	2.3
187.03841	1.7
189.01833	11.7
191.03477	3.5
195.02980	3.4
201.05531	1.2
203.03368	8.1
203.06914	0.9
205.05008	1.6
207.02887	5.8
215.03404	1.8
217.05031	2.4
219.02965	2.0
221.04463	2.6
227.03380	1.0
229.05054	2.7
230.08206	3.7
231.06650	2.0
243.03018	1.2
243.06528	1.0
255.02893	1.4
255.06769	1.4
257.46286	0.9
258.13354	1.9
267.06546	2.4
268.07333	2.8
277.77032	1.3
279.06601	3.2
281.08231	3.5
282.05405	1.3
283.06070	13.4
284.06891	1.7
289.08737	1.1
291.06604	1.6
292.07144	1.0
293.08234	2.9
293.11765	2.0
295.06042	60.7
296.06790	4.5
297.07523	7.8
303.09988	1.0
305.08255	2.6
306.07794	2.1
307.06042	54.2
307.09161	2.6
308.06802	3.2
309.07562	19.6
313.07104	2.3
317.08130	3.7
318.08145	2.4
319.06052	4.7
319.09583	3.4
320.06555	5.4
321.07623	31.7
321.11108	3.3
322.08264	3.1
323.09241	4.0
325.07086	29.6
330.11267	10.0
331.09082	2.2
331.12128	6.1
332.13135	1.3
333.07559	14.3
333.11282	2.0
335.05560	1.6
335.09113	13.7
336.12408	3.9
337.07086	6.6
337.10794	4.2
339.08582	4.9
342.11432	3.3
343.09741	3.3
345.11310	1.5
346.11148	2.4
347.08969	5.9
348.12344	32.4
349.07095	16.7
349.10883	12.4
351.08521	9.8
353.10324	1.2
354.13501	5.4
355.12128	8.6
359.08963	1.5
360.12338	17.3
361.06964	4.1
361.10764	45.2
362.07559	1.5
363.08597	5.9
363.12540	1.3
365.10468	1.2
366.13501	8.9
368.13116	1.3
372.12439	1.4
373.06967	3.5
375.08597	5.5
375.12405	1.7
376.11880	3.3
377.10297	2.5
378.13367	17.6
379.07959	3.6
379.11911	12.1
381.13928	1.7
384.12430	1.8
385.10861	1.7
387.08850	1.6
389.09799	2.0
389.13983	2.6
390.13437	1.5
391.07758	9.8
391.12103	2.3
393.09827	1.2
394.13232	1.5
396.14633	6.9
399.12662	2.2
402.13483	6.5
403.11823	22.8
405.09698	2.7
408.14023	1.9
409.09210	3.9
409.13696	1.6
414.13373	4.2
415.11459	1.7
417.09128	2.1
417.13876	2.2
420.14447	19.0
426.13770	3.3
427.11362	4.9
432.14441	1.9
433.12579	5.0
435.10959	2.8
440.13538	23.0
444.14383	9.2
445.12915	8.9
450.15399	3.9
453.11392	1.4
460.13547	1.0
462.15610	22.5
463.13889	12.7
464.13446	5.2
470.14670	1.9
480.16605	28.8
481.15088	9.9
494.14517	1.6
498.17651	93.0
499.16669	1.5
516.18494	4.0
524.15723	8.0
542.16632	100.0
560.17664	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.2
55.01877	2.3
55.05518	21.5
57.07084	10.1
65.03948	3.6
67.05180	2.7
67.05512	38.0
67.19303	1.7
69.07076	48.1
69.31680	16.2
70.45235	1.8
71.08652	2.4
79.05500	27.7
81.07067	100.0
83.04985	15.0
83.08626	21.4
85.06557	3.6
85.13836	2.1
91.05482	25.3
93.07055	59.5
93.07639	3.0
95.04976	4.5
95.08614	97.3
97.10191	8.5
105.07049	51.8
107.08606	75.8
109.06524	2.4
109.10169	68.2
111.11742	8.1
117.07069	6.7
119.08590	43.8
121.10160	48.5
123.07316	1.8
123.11717	33.3
129.06998	4.2
131.08574	17.0
133.10147	37.9
135.11702	40.5
137.13266	12.0
142.07855	2.2
143.08601	13.2
144.09364	2.7
145.10120	28.2
147.11681	30.7
149.09660	2.8
149.13268	30.7
151.11285	3.8
151.14882	2.7
156.09392	2.8
157.10214	10.5
159.11713	29.7
161.13278	23.9
163.14836	17.8
168.09573	2.4
169.10077	3.2
170.55406	2.0
171.11703	12.6
173.13269	20.0
175.14841	17.4
177.16434	12.7
183.11658	4.7
185.13292	13.7
187.14798	11.5
189.16429	12.4
191.18039	6.4
195.11729	2.1
197.13361	6.5
199.14792	13.1
201.16437	11.9
203.17950	10.9
205.19531	2.6
211.14914	7.1
213.16472	11.6
215.17912	9.6
217.19603	5.9
225.16380	4.4
227.18028	7.8
229.19534	4.8
239.18013	7.6
241.19604	5.0
243.21135	5.6
245.22649	4.1
253.19562	4.7
255.21085	6.1
257.22833	6.2
267.21198	2.5
269.22705	8.9
271.05945	2.0
271.24313	3.6
281.22763	2.8
283.24435	5.3
285.25845	2.2
295.24185	2.8
323.27341	3.0
337.29034	2.2
409.34747	2.4
435.36188	2.2
459.40063	2.6
468.86093	2.0
470.91714	1.9
477.41489	3.8
503.42145	2.2
541.47760	19.2
559.48865	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.05518	19.3
55.52240	1.3
57.07077	5.7
59.04997	1.9
59.71733	1.3
60.43805	1.3
65.03941	4.2
67.05509	35.5
69.07076	45.1
71.08618	2.3
71.09499	1.9
71.09847	2.7
79.05500	27.4
81.07066	93.1
83.04980	2.5
83.08629	13.9
85.06544	3.1
91.05489	24.4
93.07054	65.7
95.04978	3.9
95.08617	81.0
97.06543	3.3
97.10207	9.3
102.85900	1.5
105.07046	52.4
107.08607	72.7
109.06554	4.1
109.10165	71.0
109.11293	1.7
111.11719	9.8
117.07044	4.5
119.08598	51.9
121.10155	46.2
123.08102	2.1
123.11718	29.5
125.09663	4.9
127.11184	1.8
128.06264	2.2
129.06999	4.4
131.08583	17.0
133.10143	36.9
135.11707	41.1
137.09625	3.5
137.13268	10.5
141.06981	1.8
142.07814	2.0
143.08606	8.4
144.09395	1.8
145.10144	26.1
147.11705	30.5
149.13272	26.1
151.14810	2.3
155.08571	3.2
157.10135	13.8
159.11708	30.9
161.13269	25.3
163.14854	16.6
169.10187	5.3
170.10918	2.0
171.11711	10.9
172.12338	2.0
173.13289	22.5
175.14859	16.0
177.16402	12.4
183.11765	5.9
185.13277	11.3
187.14822	17.2
189.16426	16.2
191.17975	5.1
193.15907	1.9
197.13239	7.1
199.14841	9.6
201.16400	16.7
203.17990	17.4
205.19492	2.7
211.14890	4.9
213.16451	11.5
215.17957	12.1
217.19543	7.6
223.14978	2.2
225.16451	4.8
227.18033	7.8
229.19563	8.8
231.21155	3.8
239.18005	3.0
240.56303	1.4
241.19618	7.1
243.21115	4.6
245.22813	2.6
253.19684	2.7
255.21069	6.7
257.22656	8.5
259.24280	3.5
261.22137	1.7
267.21112	5.0
269.22623	8.2
271.24280	5.1
279.20981	2.0
281.22662	2.3
283.24149	14.0
285.25809	1.8
287.23746	1.5
293.22775	2.0
295.24274	4.2
297.25858	4.6
309.25879	3.0
311.27280	1.6
321.25717	1.8
323.27469	3.1
325.28857	3.9
335.27615	1.6
337.28970	7.9
339.30688	1.9
349.28720	2.1
351.30582	3.7
391.33554	1.7
393.35260	3.0
405.35370	2.2
435.36786	2.5
459.39951	2.2
503.42627	2.6
541.47900	23.2
559.48792	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
53.87598	1.4
55.05518	18.0
57.07072	6.8
57.86307	1.5
58.23502	1.3
59.04995	1.6
60.01125	1.4
65.03955	2.2
67.05508	36.1
69.07075	49.2
71.08624	2.3
71.13010	3.4
79.05496	25.2
81.07062	100.0
83.04989	19.5
83.08618	19.0
85.06541	3.4
91.05483	20.3
91.13619	1.5
93.07051	49.2
95.04991	4.2
95.08614	88.8
96.26003	2.1
97.06562	1.7
97.10175	9.3
99.08112	1.5
105.06322	2.2
105.07036	40.8
107.08605	65.3
109.06506	3.6
109.10165	70.4
111.11726	6.8
115.05472	2.6
117.07037	6.5
119.08589	40.0
121.06441	2.0
121.10148	46.8
123.08060	3.9
123.11716	32.6
125.09536	1.8
127.11179	1.6
129.07034	2.4
131.08568	16.9
133.10143	28.4
135.11690	34.1
137.13251	13.3
143.08600	8.6
145.10132	24.9
147.11700	31.8
149.09634	6.7
149.13263	31.2
151.11183	6.4
151.14865	4.2
153.99023	1.5
155.08566	2.7
157.10100	13.1
159.11697	31.8
161.13257	26.5
163.14836	18.1
165.12744	4.3
169.10168	4.9
171.11714	11.3
173.13268	19.1
175.14853	16.5
177.16405	13.9
183.11705	6.5
185.13281	10.5
187.14827	16.3
189.16393	12.5
191.17963	5.6
197.13286	3.1
199.14845	9.4
201.16414	13.4
203.17992	9.7
205.19505	2.6
209.13297	2.4
211.14865	5.5
213.16368	10.6
215.17943	11.8
217.15866	1.7
217.19534	6.8
219.17517	1.8
225.16481	3.8
227.18016	6.4
229.19472	8.6
231.21156	3.6
237.16423	2.4
239.17928	3.4
241.19565	6.3
243.21126	5.1
245.22768	2.2
251.18105	1.8
253.19681	3.8
255.21100	7.3
257.22760	6.6
258.46970	1.5
259.24271	2.5
260.28180	1.8
267.21176	4.2
269.22702	4.0
271.24249	4.9
273.61169	1.5
281.22626	4.1
283.24219	5.4
285.25824	4.4
293.22745	2.5
295.24231	2.9
297.25858	3.8
299.24020	1.9
311.27240	2.9
323.27319	3.3
325.28897	2.2
335.27228	1.8
337.29016	1.8
341.28613	2.4
351.30463	1.6
353.32272	1.9
367.29660	1.7
391.34048	2.1
405.35352	2.4
423.36212	1.8
435.36343	3.8
459.39728	3.5
461.41565	4.5
477.40643	2.9
503.42410	2.2
514.97064	1.8
541.47723	22.1
559.48792	100.0
566.64001	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.05510	19.0
57.07067	6.6
65.03934	2.0
67.05511	38.6
69.07072	49.2
71.02298	3.2
71.05005	2.2
77.03901	1.6
79.05496	27.3
81.07059	100.0
83.04965	3.1
83.08622	15.5
85.06542	3.2
91.05476	28.8
93.07048	60.4
95.04989	3.0
95.08614	85.4
97.06542	3.0
97.10175	8.3
105.07036	49.2
107.07877	3.4
107.08603	70.2
109.06549	2.5
109.10158	73.6
111.11739	9.7
115.62573	1.5
117.07029	6.3
119.08585	52.0
120.54993	1.8
121.10152	48.6
123.08061	1.9
123.11712	25.5
125.09647	3.8
129.07054	2.3
130.75142	1.6
131.08551	17.6
133.10132	38.3
133.11102	2.6
135.11697	40.0
137.13240	11.7
139.11281	1.7
142.07816	3.5
143.08562	9.9
145.10126	28.0
147.11700	34.8
149.13264	29.8
151.11168	1.5
151.14842	3.8
155.08548	2.6
156.09285	2.0
157.10135	13.0
158.11031	1.8
159.11708	28.3
161.13266	30.8
161.14600	2.1
163.14839	14.1
169.10176	4.6
170.10867	1.8
171.11711	13.1
172.12540	1.6
173.13271	26.2
175.14839	20.6
177.16399	12.7
183.11722	6.6
185.13280	12.4
187.14801	15.7
189.16391	14.1
191.18011	6.4
193.15938	1.9
197.13281	3.9
199.14847	12.7
201.16389	15.3
201.17728	1.5
203.17941	11.5
205.19632	2.6
209.13290	2.2
211.14908	6.1
213.16402	13.5
215.17923	12.2
217.19446	8.3
223.14983	2.1
225.16449	5.7
227.18018	9.6
229.19551	6.9
231.21085	3.2
239.18025	3.5
241.19583	7.8
243.21201	6.8
245.22691	3.2
253.19621	3.6
255.21149	7.8
257.22632	10.9
259.24173	2.9
261.22186	2.0
265.19458	1.9
269.22729	7.3
271.24261	4.4
281.22696	5.6
283.24313	8.9
285.25909	4.6
295.24289	4.4
297.25854	5.7
311.27203	2.0
321.25815	2.4
323.27487	3.7
325.29184	3.2
337.28864	3.7
351.30624	4.2
363.30347	1.7
365.32513	2.3
391.33459	2.3
435.36353	2.4
459.39615	2.0
477.40933	2.1
541.47705	24.4
559.48792	85.7
560.49170	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	559.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.3
55.05510	25.0
57.03435	14.7
57.38055	4.6
65.03946	6.8
66.17187	4.9
67.05176	8.8
67.05506	100.0
69.07069	20.9
69.92017	5.3
71.85402	4.8
79.05499	77.2
81.03419	6.4
81.07066	76.2
83.04958	9.3
83.08619	13.8
90.27848	4.7
91.05485	59.1
93.07053	88.3
93.20160	5.1
93.81826	4.9
95.04976	24.4
95.08607	60.2
96.72878	4.7
97.06515	6.2
97.10184	7.2
105.07037	58.2
107.04962	7.8
107.08588	31.6
109.10166	18.0
115.73225	5.5
117.07037	9.9
119.08568	30.5
121.10144	18.1
123.08060	8.9
123.11729	5.8
129.07036	14.5
131.08577	18.7
133.10147	14.4
135.11597	11.1
143.08568	7.8
145.10115	15.5
147.11731	33.6
149.13272	10.0
159.11679	8.5
161.09589	5.5
161.13312	13.7
163.14842	5.4
171.11708	36.6
173.13228	8.2
187.14839	5.7
189.12743	10.6
207.13860	23.0
229.50992	5.7
243.20988	5.5
261.22229	17.0
279.16000	6.0
281.17505	81.7
335.25772	31.0
354.33136	7.3
541.38989	66.6
559.24048	8.3
559.39697	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	559.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27753	2.1
53.03929	5.1
54.41553	2.0
55.01870	7.9
55.05518	18.9
57.03444	5.7
57.07084	13.7
61.02929	6.4
67.05510	34.3
69.03433	39.2
69.07078	60.2
69.81119	11.1
71.04971	3.6
71.08633	6.0
73.02921	4.9
79.05498	18.5
81.03423	24.3
81.06586	5.1
81.07064	100.0
83.04972	2.3
83.08625	27.6
85.02915	75.6
85.06561	14.5
87.00834	42.5
91.05505	8.2
93.07054	33.9
95.04976	6.9
95.08615	90.4
97.02905	26.4
97.06557	14.5
97.10182	19.7
99.04470	8.1
99.08086	7.9
103.03935	4.7
105.01876	42.7
105.07039	11.8
107.08606	33.2
108.47613	2.2
109.02888	16.3
109.06570	3.8
109.10174	58.2
111.04441	5.4
111.08106	12.5
111.11708	14.6
113.09682	2.7
115.03936	6.6
119.08605	10.3
121.10152	15.1
123.04395	3.8
123.08051	3.1
123.11718	35.7
125.09626	2.7
125.13284	6.8
127.03940	47.4
129.01891	4.8
131.08580	4.7
133.10147	7.0
135.08078	3.5
135.11700	12.1
137.05942	3.2
137.09686	2.2
137.13252	31.9
139.11182	3.2
139.14874	2.2
143.08653	2.6
145.04982	13.9
145.10114	4.5
147.08073	2.3
147.11678	6.8
149.13255	34.0
151.14850	8.2
157.10059	2.2
159.02933	7.4
159.11697	4.5
161.09692	3.7
161.13254	4.5
163.11237	3.0
163.14868	11.3
165.09125	5.0
165.16458	6.7
165.86145	2.4
167.14355	10.8
173.13327	3.0
177.16380	5.5
177.81944	2.5
179.17880	3.4
187.11246	2.4
189.03905	3.2
191.18002	3.4
205.19484	2.9
219.04929	3.0
219.21170	4.7
231.04955	15.3
249.06029	5.2
273.25598	2.6
275.27490	7.3
293.28470	21.1
304.16211	5.2
312.16818	2.4
330.17737	3.8
359.29391	2.3
362.20380	2.3
383.29144	3.6
401.30508	3.8
487.30505	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01862	3.6
55.05502	5.7
57.07061	2.1
60.81597	1.2
65.03940	3.1
67.05507	12.5
67.53078	1.2
69.03419	2.0
69.07063	13.7
69.43970	9.2
79.05500	10.5
81.03410	4.0
81.07063	16.2
83.08606	3.3
91.05478	9.6
91.57755	1.0
93.07053	11.5
95.04961	4.1
95.08614	7.7
97.06480	1.4
97.10150	2.2
103.05455	1.8
105.03365	2.6
105.07053	8.7
107.04941	2.0
107.08606	7.6
109.06492	2.2
109.10167	11.1
115.05461	5.3
117.07022	5.1
118.02609	1.3
119.08574	5.5
121.06495	1.9
121.10126	4.5
123.08025	1.7
123.11732	3.2
125.09630	2.3
128.06201	3.0
129.07001	9.7
131.04916	7.5
131.08553	4.4
133.06482	1.5
133.10144	4.1
135.04425	100.0
135.11671	4.8
137.05991	10.3
137.13222	2.2
142.07674	1.3
143.04913	4.1
143.08519	3.3
145.06503	8.9
145.10132	4.0
147.04433	1.3
147.08011	2.3
147.11690	3.0
149.02351	19.1
149.05968	1.5
149.13277	2.5
151.03973	3.1
151.07541	10.8
157.06470	10.4
157.10114	1.7
159.08052	1.8
159.11737	2.0
159.59634	1.2
161.06010	6.1
163.03835	1.6
163.07536	3.9
163.11090	1.4
165.05501	3.4
171.08049	1.6
171.11687	1.3
173.05992	23.7
173.09607	3.1
175.07523	5.6
177.05458	1.6
177.09140	4.3
177.16264	1.9
183.08086	1.5
185.05981	5.6
186.06844	1.6
187.07556	11.2
189.09088	5.5
189.16382	1.7
191.10669	2.6
195.08075	2.2
197.06033	2.1
200.33649	1.3
201.09109	4.9
203.07033	14.7
203.10692	4.7
203.17953	2.2
205.12288	8.9
211.11037	1.5
213.09097	1.7
215.07106	10.3
215.10605	3.3
217.08592	2.0
217.12206	3.5
219.10028	1.7
219.13818	2.4
225.09204	1.4
227.10609	2.5
229.12308	2.0
233.08008	4.1
239.10666	1.9
241.12309	1.6
245.15402	2.8
255.13809	1.8
257.15375	2.6
265.12253	1.6
269.15558	1.9
273.18253	2.0
275.20050	1.5
289.08548	1.6
291.19479	4.6
311.19913	1.5
313.21530	1.7
321.11237	2.3
331.45581	1.4
337.10590	2.6
339.23291	2.1
339.27609	1.3
369.13364	8.6
377.13809	1.6
393.75763	1.3
419.18539	1.9
422.05112	1.5
437.19101	1.3
491.96234	1.6
541.29285	5.1
556.04785	1.4
559.29639	24.0
559.36542	5.2
586.69244	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48801	0.5
61.59007	0.6
61.68132	0.4
70.06605	0.6
70.83173	1.1
74.02448	0.8
86.32889	0.4
102.62531	0.5
105.49401	0.4
109.12959	0.5
115.05406	1.0
117.07006	0.7
118.06553	16.8
130.06572	1.1
132.08099	5.2
135.98843	0.4
142.06589	2.2
143.07346	2.4
144.04388	0.6
144.08093	11.0
146.06024	58.0
159.09190	5.5
163.03917	2.5
170.06021	4.6
188.07083	100.0
190.87263	0.5
193.54504	0.4
205.09740	44.2
284.86996	0.5
439.89932	0.5
465.90674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01869	2.9
55.05516	13.5
56.82293	1.1
57.03442	10.9
57.07080	27.9
67.05174	1.7
67.05510	18.7
69.03418	3.3
69.07074	8.6
71.04984	3.4
71.08630	20.7
77.18135	1.2
79.05496	11.8
81.03427	46.4
81.07060	22.4
83.04990	13.3
83.08626	22.0
85.02919	16.3
85.10181	10.3
89.06025	2.5
91.05492	15.5
93.07047	11.2
95.04975	16.1
95.08609	17.7
97.02869	1.3
97.06527	2.0
97.10178	6.2
97.43839	1.1
105.07037	13.0
107.04947	3.4
107.08607	4.6
109.06534	3.1
109.10159	9.5
111.04468	1.2
111.08086	7.0
113.05988	2.4
117.07007	1.5
119.08601	9.5
121.10151	6.2
123.08105	1.6
123.11687	2.2
125.09603	1.5
129.07014	6.8
131.08585	5.8
133.06493	1.5
133.10133	4.9
135.11653	1.5
142.07755	2.1
145.10121	1.3
147.08107	1.5
147.11696	9.0
149.09575	3.3
151.14726	1.2
157.10162	11.1
163.11264	1.3
164.59464	1.5
165.12810	1.3
167.93982	1.2
175.11206	9.5
193.12251	33.1
211.13310	55.4
267.15976	7.5
285.16995	39.5
313.27377	68.0
393.24719	1.4
465.35867	1.6
505.39087	9.3
523.39978	100.0
558.53662	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	558.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39536	1.0
54.29506	1.1
58.06598	1.4
67.05521	1.4
69.07056	3.4
69.78194	5.1
79.05502	2.7
81.07056	2.9
83.04970	2.1
93.06055	1.2
94.04203	1.3
98.20837	1.3
103.05470	5.1
106.70757	1.3
107.04953	1.4
109.06477	1.7
111.04430	3.0
115.05450	2.5
117.07037	1.6
122.03628	4.5
125.05941	2.1
128.06256	2.9
129.07034	12.8
131.04959	12.1
137.05992	100.0
143.04900	2.5
144.05797	1.8
144.45461	1.2
145.06471	2.5
149.05974	1.6
151.07542	1.6
153.05473	9.9
157.06503	17.8
160.05206	3.9
161.06023	2.0
163.07578	9.9
172.05244	2.3
174.06754	5.5
175.07556	29.0
187.07573	35.0
189.09123	37.5
199.07578	2.5
203.08546	2.0
205.08609	5.5
207.10204	5.7
217.08621	12.4
219.08121	3.1
231.08020	4.4
231.91194	1.3
235.09676	2.6
239.07118	1.7
239.67274	1.2
247.07637	1.7
248.08325	3.3
251.10725	2.2
259.07629	1.4
263.10660	4.5
270.08954	4.4
271.09723	2.8
276.07727	2.0
279.10208	4.3
283.09637	2.3
291.10223	8.9
311.12833	18.9
323.12729	16.9
329.13855	2.3
341.09909	2.4
341.13864	34.0
359.15137	1.4
409.19620	1.6
461.55014	1.1
540.37787	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
56.05027	0.4
57.07074	1.3
58.25811	0.3
61.95657	0.4
67.05517	0.6
69.07072	0.5
70.30809	0.7
70.31187	1.3
72.08161	5.1
73.08498	1.1
74.06089	3.0
74.09724	100.0
81.07066	0.4
85.06562	1.0
87.00459	0.4
89.06011	0.5
91.05494	2.2
93.07049	0.4
102.77038	0.5
105.07034	0.6
107.08601	0.3
111.08059	0.6
133.10139	9.8
133.11082	0.7
147.08099	0.5
149.09663	1.8
153.09180	0.7
171.10260	0.8
189.11320	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94973	0.9
53.03947	1.1
55.01878	1.2
55.05516	7.2
57.03424	0.9
57.07074	1.9
59.04997	1.5
60.94326	0.8
62.24229	0.9
63.99951	0.9
64.26141	1.0
65.03925	1.4
67.05511	17.6
69.03086	1.9
69.03439	29.3
69.07077	9.7
69.56557	3.0
69.56991	3.3
71.04990	2.5
73.06551	1.2
74.57394	0.9
79.05488	9.1
80.49448	0.9
81.03409	1.7
81.07065	22.8
83.04990	2.7
83.08636	7.0
85.06547	2.1
91.05499	9.6
93.07050	18.5
95.04979	23.2
95.08061	1.7
95.08618	23.0
97.06536	4.6
97.10175	4.0
98.21471	2.3
99.08108	3.3
105.07037	16.4
106.07393	0.9
107.04953	3.4
107.08611	21.6
109.06522	3.5
109.10164	18.0
110.85958	0.9
111.08090	3.3
117.07013	2.6
119.08596	21.0
121.06528	1.7
121.10155	20.6
123.08081	7.5
123.11726	13.1
125.09635	3.7
128.06276	1.3
129.07021	2.6
130.07806	1.5
131.08586	11.7
133.10139	17.2
135.08057	4.4
135.11728	8.8
137.09633	3.9
137.13324	1.6
139.11179	2.1
141.07025	1.7
141.09023	1.4
142.07768	1.9
143.08606	8.5
144.09247	1.3
145.10146	15.5
147.08044	1.1
147.11711	10.2
149.09642	4.2
149.13281	6.1
151.11172	3.2
155.08582	3.3
157.10136	12.0
159.11707	16.2
161.09602	3.3
161.13271	25.0
163.11200	1.5
163.14827	3.6
165.12698	1.3
167.10657	1.2
169.10120	6.9
171.11705	10.6
173.13274	10.8
175.11206	2.2
175.14793	6.1
177.12775	3.7
181.10133	2.8
182.10910	1.6
183.11688	8.2
184.12529	1.2
185.13283	10.0
187.11206	2.0
187.14827	10.2
189.12773	3.2
189.16325	4.6
191.14395	3.0
195.11697	3.0
197.13271	6.8
199.14819	8.1
201.16380	5.1
203.14294	2.9
203.17998	1.4
207.11740	1.1
209.13301	4.3
210.13945	1.1
211.14845	6.8
213.16437	5.0
215.14316	1.6
215.18007	2.8
217.16022	1.8
221.13284	1.5
223.14816	3.0
225.16370	7.6
227.18007	11.0
229.15892	4.6
231.17403	3.7
237.16498	2.8
239.14403	1.5
239.17923	3.6
241.15837	1.6
241.19531	2.2
243.17438	1.9
245.19061	11.9
249.16504	1.6
251.17975	3.4
253.15877	1.7
253.19464	2.6
255.21065	1.9
257.19003	4.6
259.20587	6.0
263.18021	1.9
265.19568	1.7
267.17581	1.1
267.21277	1.2
269.19031	2.7
271.20624	2.8
277.19550	2.4
281.18896	1.8
283.20547	4.9
285.22128	2.9
295.20547	3.2
295.24225	7.3
297.22046	2.6
309.22064	2.4
311.23727	11.5
313.04538	1.2
313.25287	52.4
323.23743	1.9
337.25226	11.1
339.23230	1.4
339.26794	6.4
345.25656	1.3
351.26819	3.2
353.28555	1.6
363.22604	1.6
363.26825	18.2
381.27908	100.0
382.28192	1.7
383.29480	2.8
407.32892	1.7
417.31815	4.6
425.33942	4.0
426.33795	6.3
435.32611	10.2
453.33682	18.7
498.39343	13.3
552.74066	1.2
558.40735	5.1
558.48297	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	558.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01850	2.8
55.05504	6.5
63.01979	1.9
65.03916	4.2
66.70720	1.8
67.05511	13.5
67.80305	1.8
69.01382	1.9
69.07030	3.3
69.81532	10.7
78.44742	2.0
79.05505	15.7
79.46822	2.6
81.03439	11.7
81.07066	15.9
89.26461	2.0
91.05492	33.9
93.07048	97.6
93.07642	4.9
95.04962	8.3
95.08622	30.0
97.06525	2.4
105.07031	19.0
107.04958	3.5
107.08604	50.4
109.06509	5.3
109.10140	5.1
115.05453	6.7
117.07004	3.8
119.08595	3.6
122.03668	5.1
125.05999	2.6
129.07005	8.5
131.04939	5.1
131.08543	3.1
133.10120	5.7
135.11702	89.5
136.05179	5.7
137.05991	100.0
143.04898	11.4
144.05745	2.5
145.06532	4.7
151.03914	8.4
151.07555	84.5
151.11066	2.7
157.06461	9.7
157.10069	2.2
158.07245	8.1
159.04416	5.4
160.05222	14.5
163.07443	2.9
165.05449	5.2
169.25806	2.2
172.05127	4.1
172.08897	4.9
173.05980	3.6
174.06783	33.8
175.06041	4.7
175.07556	73.6
177.09119	6.7
178.64641	2.0
179.06969	3.5
187.07533	32.0
188.08325	4.4
189.09128	75.6
201.09105	39.8
203.10716	12.4
205.08632	11.2
217.08733	3.3
219.10129	13.4
227.06981	2.5
227.12775	2.2
231.10216	7.6
235.09697	8.0
239.07008	2.5
249.11203	11.3
254.09352	3.6
261.09094	3.4
269.07938	3.0
277.12204	3.5
284.10400	6.9
285.11282	6.1
291.10159	7.3
297.11099	3.0
305.11612	6.2
306.12497	8.4
307.09689	2.7
311.12549	2.7
323.12735	4.2
325.14334	3.1
337.14459	19.8
341.14005	4.7
355.15454	12.6
371.14938	5.4
380.92795	2.2
424.43835	2.5
425.39059	2.7
499.55484	2.2
540.37756	3.5
558.37122	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	558.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	1.1
55.49717	0.7
57.07080	4.3
58.06590	2.0
60.04535	0.8
62.74591	0.7
67.05510	2.4
67.95991	0.8
69.07066	0.8
70.06602	18.2
70.10971	0.8
70.16509	2.6
71.08617	2.1
77.72244	0.7
79.05512	1.4
81.03432	1.0
81.07059	1.9
83.67826	0.8
88.07644	18.9
91.05506	1.1
93.07049	1.2
97.06561	0.8
98.21447	0.9
102.09199	12.2
105.07068	1.1
107.08572	1.4
117.24474	0.7
123.11626	0.9
131.08557	0.8
133.10144	1.2
137.06007	1.6
149.02359	36.9
149.03294	1.4
156.11874	1.2
165.96985	0.8
180.17531	0.7
193.04990	46.4
200.20117	42.4
200.22012	1.2
215.10741	0.8
225.05347	1.1
269.04520	1.8
297.03989	2.2
313.07104	2.5
341.06573	8.7
359.07620	6.7
385.09213	41.5
543.36560	0.8
558.27051	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.01847	0.7
57.03423	0.5
60.04525	3.2
61.02903	0.5
61.40479	0.3
69.03432	3.5
70.06577	0.4
70.77226	1.1
73.02886	0.6
79.05470	0.4
81.03416	2.7
85.02909	4.8
86.03370	0.4
86.06057	0.6
87.00809	1.5
91.05463	0.5
97.02885	2.0
99.04401	1.2
105.01839	0.9
105.88874	0.4
109.02850	2.1
117.01805	0.4
127.03921	4.0
145.04924	0.8
150.70590	0.4
151.03897	0.6
159.02893	1.0
165.06981	2.2
179.08521	2.2
180.07982	0.7
189.07036	1.2
190.07759	2.3
191.08563	35.2
193.06512	1.4
193.08609	0.4
198.37984	0.4
201.07059	0.5
204.42639	0.4
205.10075	0.5
206.09608	0.5
207.06552	0.4
207.08101	6.2
208.08821	1.7
208.11208	2.2
215.08513	0.7
217.06613	0.4
217.08853	1.5
218.07333	1.1
218.09651	16.4
219.08090	48.6
219.10393	5.9
220.08862	2.3
229.07637	0.7
231.05098	0.5
231.07910	0.4
233.09747	0.6
234.09151	4.6
235.09846	1.2
236.10701	100.0
243.08018	0.5
250.12260	0.4
251.10689	13.9
260.10800	0.7
261.09125	0.5
268.13391	0.7
278.11777	70.4
296.12845	12.2
310.14386	38.4
317.93942	0.4
356.41797	0.5
402.82455	0.4
432.60617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07051	0.3
66.71909	0.3
69.45482	2.1
70.06577	0.4
81.07041	0.3
83.65807	0.3
88.48846	0.4
90.28974	0.3
98.20770	0.7
102.48207	0.3
112.11912	0.3
124.47052	0.3
194.93544	0.3
207.08630	0.4
326.95016	0.3
557.43945	100.0
558.44525	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	3.6
66.84350	1.3
69.03447	2.1
74.85761	1.3
82.99869	3.0
84.96042	2.0
97.02900	1.4
98.97581	12.2
101.00903	20.0
103.02437	1.6
110.97578	3.6
113.00882	5.3
116.98640	2.0
119.01173	1.1
119.01936	29.3
127.02446	10.4
128.98648	3.0
129.03973	1.7
131.01048	1.7
131.01930	14.4
137.02980	4.7
139.02411	3.7
141.03954	2.3
143.00182	3.3
143.01927	26.5
145.03503	39.6
146.08510	1.4
147.01361	2.0
149.02971	2.2
151.00809	1.4
155.01900	17.7
157.03493	10.2
157.31122	1.4
158.99695	2.0
159.05045	11.6
161.01550	2.3
161.02980	29.0
163.03905	2.9
167.01923	12.9
169.03477	47.0
170.99806	3.0
171.01447	4.8
171.05034	10.9
173.02992	24.3
177.00731	2.0
179.01897	4.8
181.03488	6.3
183.05011	2.6
185.02982	46.4
186.03174	2.0
187.04547	50.3
189.00842	2.9
189.02478	8.8
193.03548	1.9
194.73195	1.2
195.05211	1.5
197.03000	24.1
199.04539	9.7
201.00787	6.9
201.02370	1.8
203.04021	14.5
207.01532	1.9
207.03502	2.0
210.06122	1.9
211.04550	9.8
213.02487	13.1
213.06120	1.6
215.00533	2.1
215.04018	12.5
219.01788	5.6
221.03117	2.3
221.05118	7.8
223.04579	2.6
225.02437	2.7
227.02138	1.6
227.04094	9.1
229.05614	2.5
231.01648	1.9
231.03563	15.2
237.02823	4.0
239.04059	2.1
239.06218	1.5
245.05112	100.0
255.79810	1.4
257.01486	6.0
257.05118	6.5
261.02856	6.2
263.03500	2.1
263.06082	12.0
271.06732	7.8
273.04727	2.3
275.02551	36.3
275.06134	72.7
279.03848	3.4
287.02533	12.0
287.06189	5.7
289.07761	3.0
293.03537	6.9
293.07242	6.3
305.03592	12.8
305.07196	15.5
315.05716	3.5
317.07333	3.3
321.05231	3.0
333.06696	3.5
335.04578	13.4
335.08328	8.8
341.03513	3.5
351.05978	2.1
359.04642	10.1
365.09314	14.1
377.05600	32.3
377.09818	3.1
381.07043	2.9
395.06772	46.1
399.08380	2.5
437.09207	3.2
510.21585	1.5
539.10760	8.7
557.11755	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	556.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07821	3.9
61.93536	4.4
67.05494	5.7
67.16282	4.2
70.06596	12.3
70.23266	17.5
79.05508	7.1
81.03427	8.2
81.07077	4.9
85.06530	4.7
91.05465	12.7
93.07048	85.1
107.08614	35.2
116.07077	5.4
117.07049	6.1
119.08580	4.5
128.06219	3.9
129.07037	9.8
131.04947	6.5
135.11705	96.8
137.05983	99.6
138.88808	4.5
143.04916	8.8
146.39999	4.9
160.05226	8.2
165.19621	3.9
175.07558	100.0
187.07533	37.4
189.09102	10.6
205.08658	26.5
217.08609	11.5
235.09679	34.9
291.10101	8.8
323.12646	5.3
323.70990	4.1
341.13858	8.8
357.13229	6.6
498.15146	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03899	12.8
67.05502	25.2
69.07079	27.2
70.06589	23.7
71.04974	30.1
71.51899	14.4
77.17696	10.9
79.05489	18.1
81.07066	71.6
91.05488	29.9
93.07031	41.7
95.08625	15.5
97.06528	26.0
104.10750	22.2
107.08586	52.2
109.10175	21.0
123.11663	12.7
135.04407	34.4
135.11708	60.4
137.06012	67.1
153.12735	100.0
161.80440	10.2
173.06020	18.4
175.07584	39.3
182.74963	14.9
187.07469	16.7
205.08621	15.8
212.35922	12.5
220.17665	11.5
223.17429	10.5
225.99857	9.6
238.77826	10.1
259.90109	10.1
271.85736	10.3
275.48114	12.6
283.43961	10.3
391.41751	10.9
420.02100	12.0
443.20850	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	556.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.3
55.01883	2.2
55.05517	8.5
57.03443	9.4
57.07083	33.0
60.71303	0.9
67.05512	16.4
69.07076	9.4
69.77283	4.1
70.06593	3.9
71.05000	1.6
71.08639	22.0
79.05501	16.2
81.03426	2.0
81.07067	22.5
83.04978	2.5
83.08630	12.8
85.10194	12.6
88.07636	2.7
89.06030	8.1
91.05497	5.6
93.07051	23.7
95.04980	4.9
95.08614	40.9
97.02897	2.9
97.06548	2.9
97.10176	3.2
97.24808	0.8
98.20844	1.7
99.04467	3.3
103.07599	1.3
104.21409	0.8
105.07033	3.3
107.04982	5.2
107.08604	18.6
109.10154	7.1
111.08059	1.1
113.70028	0.8
117.07038	3.8
119.08579	8.3
121.06511	5.3
121.10159	8.7
123.11709	2.6
125.06012	2.2
130.07788	1.2
132.10237	1.9
133.08609	3.4
133.10165	1.6
135.08131	1.4
135.11703	37.2
139.07573	1.6
145.10139	22.0
146.11765	1.8
153.12750	0.9
163.11195	47.9
168.56062	0.8
177.11221	1.9
181.12227	7.2
209.11836	1.0
221.13852	1.6
227.12802	60.4
239.23830	1.2
256.26364	3.1
257.24774	2.1
266.70670	0.8
283.15433	63.1
283.26346	11.7
290.61417	0.9
300.28998	6.1
313.27399	100.0
371.22699	2.7
376.77432	0.9
521.38434	66.9
522.38147	1.2
556.53088	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.0
55.01873	8.2
55.05513	11.5
57.03439	4.5
67.05514	16.8
69.03439	16.0
69.07076	10.8
70.06606	26.9
70.79169	8.5
72.08158	14.6
73.50012	3.5
79.05500	12.3
81.03422	15.2
81.07067	17.4
84.08096	4.5
85.02901	21.1
86.09736	4.4
87.00829	5.7
91.05494	15.2
93.07053	16.3
95.04987	7.7
95.08606	17.2
97.02914	8.8
97.06545	4.2
99.04476	5.0
105.01904	10.6
105.07046	21.7
107.04942	9.8
107.08574	7.4
108.95940	3.7
109.02876	8.2
109.10175	16.4
110.07207	4.2
117.07005	7.6
119.04962	7.8
121.06521	21.3
121.10167	16.4
123.11723	15.7
127.03931	12.5
129.07039	6.4
131.08568	5.3
133.06480	19.8
135.04469	9.8
135.11752	6.9
143.08560	5.8
144.08075	4.4
145.04956	7.7
145.06497	14.6
145.10114	5.2
147.08047	9.2
149.05927	5.6
151.03897	7.7
151.07564	100.0
157.06555	8.1
158.07304	5.3
159.04391	4.7
159.08096	16.9
160.04716	4.1
161.06036	6.2
161.09631	3.9
163.07413	4.0
165.09171	7.2
167.10710	3.8
171.08076	6.8
173.09639	15.1
174.44597	5.2
175.07574	14.2
177.09111	5.1
181.10129	5.5
182.10558	4.0
185.09633	15.2
187.11185	7.4
189.09102	17.4
191.08403	3.9
191.10730	12.9
193.08578	7.9
197.09569	4.0
199.11162	19.1
203.10738	5.3
209.09636	6.5
210.09822	3.6
211.07602	4.9
213.12750	6.6
217.12256	10.1
227.03357	8.8
231.04947	6.7
237.09149	7.7
255.17493	81.2
259.65933	3.6
266.11823	9.2
273.15268	5.3
273.18506	62.0
297.18488	7.3
308.12827	9.9
311.14352	3.4
394.16599	24.9
395.16861	74.9
406.20233	11.8
413.17764	4.0
420.76031	4.1
538.24249	4.7
556.15155	5.6
556.25598	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.1
53.03950	5.8
55.01874	3.7
55.05516	23.9
56.96534	1.0
57.03442	2.0
57.07073	2.5
61.02909	1.1
65.03947	2.6
67.05505	6.0
69.03427	10.9
69.07074	95.3
69.86031	1.0
70.06624	5.2
70.83462	2.8
71.04995	2.3
73.02919	2.0
79.05484	10.6
81.03430	8.6
81.07057	15.5
83.08628	2.6
85.02913	26.8
85.06026	1.2
85.06551	28.2
87.00838	15.2
91.05492	23.0
93.07052	100.0
95.04964	4.3
95.08611	7.9
97.02902	14.6
97.10182	5.7
99.04456	4.3
103.05470	3.9
105.01880	31.9
105.04506	2.4
105.07040	15.5
107.04964	3.7
107.08604	67.2
109.02884	11.7
109.06532	2.0
109.10172	5.6
111.11727	58.3
115.05495	5.3
117.07022	20.9
119.04939	1.3
119.08581	8.2
120.09383	1.3
121.06525	19.6
121.10182	3.3
123.11720	6.3
127.03940	25.2
128.06245	4.7
129.01833	1.0
129.07022	9.8
131.04968	4.3
131.08582	4.8
132.05760	1.6
133.06500	11.4
133.10173	1.3
134.91060	1.2
135.08080	4.3
135.11703	98.3
137.05989	1.9
137.13246	4.9
141.06976	1.3
142.07800	3.0
143.08575	8.4
144.05711	2.6
145.04974	12.0
145.06502	35.5
145.10143	1.8
147.08080	8.9
149.09705	1.4
151.07559	24.3
151.08676	2.0
153.07033	1.7
154.07774	2.2
155.06049	1.4
155.08557	2.1
156.09364	7.1
157.06509	20.4
157.10153	2.2
158.07280	8.9
159.02898	4.4
159.08072	11.7
161.05956	1.2
161.09608	6.9
163.07555	16.6
165.09111	6.3
166.07748	1.7
169.06509	3.0
169.10094	5.8
170.07298	4.9
171.08043	9.2
171.11719	5.0
172.08864	4.8
173.09647	10.1
175.07539	8.9
175.11092	1.6
177.09158	2.3
179.10699	3.8
181.10136	1.8
184.08846	9.6
185.09622	9.0
187.11162	23.5
189.09111	7.9
191.10663	4.9
197.09659	1.8
199.11205	87.8
203.10706	12.1
205.08672	1.8
205.12268	3.6
213.03964	2.6
213.12746	2.9
217.12260	18.5
229.08633	1.6
231.04982	16.3
249.06084	12.4
255.17451	46.4
255.20146	2.5
273.18518	8.0
354.37866	1.1
395.77808	1.2
426.48962	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.1
53.47923	0.8
54.65881	0.8
55.01875	4.7
55.68576	1.0
57.03420	1.2
61.02928	1.0
61.39924	0.9
65.03922	1.6
69.03429	5.1
70.66545	2.6
79.05535	4.3
81.03426	1.7
81.07057	0.9
85.02908	9.9
91.03953	1.0
91.05489	37.5
94.04196	1.5
95.04952	2.0
97.02869	2.3
103.05470	24.4
105.03392	7.7
105.07040	13.4
107.04971	4.4
109.02874	1.1
109.06518	9.5
115.05445	3.6
117.06990	1.8
118.04172	1.8
118.82823	0.8
119.04947	51.0
119.08588	2.1
121.06479	3.5
122.03636	4.5
123.08081	4.3
127.03908	3.1
128.06181	1.1
129.06993	2.0
130.04099	1.1
131.04935	39.9
131.08571	0.8
132.05682	1.5
133.02863	2.3
133.06496	12.8
135.08031	1.9
137.05983	100.0
143.04950	1.2
145.04932	2.8
145.06493	2.3
146.07253	1.2
147.03233	1.3
147.04416	23.6
147.08025	3.3
149.05983	5.7
151.07553	26.8
157.06441	1.5
159.08035	3.4
160.05164	2.4
161.04639	1.6
161.05986	30.8
162.06764	5.0
162.65883	0.8
163.07549	49.7
165.05527	2.1
172.05258	1.8
173.05931	1.6
175.07549	30.3
177.05508	2.1
177.09117	3.4
179.07036	31.8
185.60745	1.1
187.07561	15.6
189.09143	2.0
191.07066	1.3
191.08604	2.1
193.08603	10.9
199.07498	1.2
203.08682	1.3
205.08566	9.1
217.08595	5.9
219.08014	5.0
219.09991	1.5
231.08032	2.7
235.09602	3.4
239.07317	0.9
247.07671	1.6
251.10628	4.4
265.08554	1.4
276.67224	0.9
279.10196	5.1
291.10162	3.2
296.10608	1.1
309.11209	23.6
311.12778	17.2
316.97018	0.9
323.12659	3.9
329.13736	2.6
341.13849	13.3
395.75656	0.8
398.18124	0.9
441.46396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
53.04505	0.7
58.06601	1.0
59.48090	0.6
61.02903	0.8
65.03945	1.3
69.03439	1.2
69.37780	3.8
69.38194	1.1
70.06606	4.4
71.04972	1.1
72.08138	1.2
74.06061	0.8
79.05499	1.5
80.17194	0.7
80.98260	0.7
81.03386	0.9
81.07061	1.6
83.04971	1.6
84.08138	2.4
85.02903	5.6
86.09710	0.9
91.05477	3.6
93.03416	1.1
94.04189	2.0
95.04954	0.9
97.02882	1.3
103.05489	5.9
105.07019	1.1
108.54362	0.8
109.02830	1.0
109.06520	2.3
111.04462	1.7
112.08647	0.7
115.05472	1.6
116.07081	2.5
117.07018	1.2
119.04932	3.3
121.06506	0.8
122.03677	4.4
125.06007	2.6
127.03926	1.5
128.06221	2.8
128.07071	1.6
129.07013	14.7
130.08623	0.8
131.04941	18.6
131.08600	1.7
133.02878	1.1
133.06462	1.1
137.05986	100.0
143.04939	1.9
144.05783	0.8
145.05026	1.2
145.06453	1.5
146.07275	0.7
147.04428	1.8
149.06039	1.3
151.03983	1.7
151.07542	4.6
153.05470	6.9
157.06502	18.6
158.07335	1.0
159.08063	0.9
160.05214	6.0
161.05977	6.6
163.07556	11.6
172.05255	2.7
174.06801	5.9
175.07559	34.8
179.07089	2.5
187.07561	33.7
189.09117	34.6
191.08598	1.0
199.07478	1.7
203.08577	2.2
205.08592	5.0
207.10069	3.4
211.07494	0.9
217.08601	10.5
219.08090	3.0
219.10197	3.0
231.08092	3.0
233.09525	0.9
235.09651	1.6
239.06961	1.7
247.07564	2.5
248.08394	2.8
251.10744	1.8
255.06648	1.6
259.07391	1.4
259.09805	1.2
260.08469	1.0
261.09207	0.9
263.10709	3.7
264.07813	1.2
265.08609	1.5
270.08884	4.8
271.09671	4.0
276.07892	2.4
277.08594	1.1
279.10193	7.8
283.09689	1.5
291.10083	7.7
293.08105	1.4
295.06091	0.9
296.10562	1.4
297.11093	1.1
308.10263	1.0
308.15414	1.1
309.11456	1.3
311.09186	1.2
311.12778	20.9
311.16254	1.4
313.14520	0.7
323.12827	17.9
329.13980	3.1
341.13852	30.2
359.14828	1.3
445.11124	0.8
447.40479	0.7
556.20941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01894	1.2
55.05519	8.0
57.03445	4.8
57.07084	7.1
61.02935	6.8
66.69373	0.7
67.05509	9.4
69.03441	16.8
69.07069	5.8
69.23528	0.6
69.23817	6.9
70.06602	7.3
71.05003	2.0
71.08630	1.5
72.08151	1.6
72.30834	0.7
73.02921	2.8
79.05484	1.3
81.03423	5.7
81.07066	29.8
83.04980	0.6
83.08627	11.2
84.08154	2.2
85.02915	100.0
86.09709	1.6
87.04476	2.4
91.03967	4.6
91.05494	3.1
93.07019	1.5
93.85540	0.7
95.08616	41.0
97.02905	20.8
97.10181	12.9
98.21481	1.3
99.04482	3.0
99.08086	0.9
100.91802	0.7
100.92448	0.8
101.09615	0.8
103.05484	1.7
105.07043	1.3
107.08630	1.0
109.02901	8.3
109.06506	0.9
109.10167	53.1
112.07596	0.7
115.03986	1.1
115.11226	2.0
119.04967	3.2
120.23954	0.7
121.10136	1.4
123.11725	58.1
127.03937	26.0
128.07095	1.4
131.04947	4.3
137.05989	8.6
137.13272	19.5
139.14844	1.8
145.04977	55.5
147.04446	1.8
151.07552	1.3
154.73672	0.8
161.06026	1.9
163.06059	34.0
163.07582	5.5
165.05565	0.7
165.97185	0.8
175.07571	2.9
179.07095	2.0
179.17969	57.1
187.07524	1.5
187.12334	0.9
197.19026	60.5
205.08670	0.9
215.11861	1.3
267.75482	0.7
309.11200	1.5
323.21851	0.7
325.11389	2.4
341.13797	1.2
357.46054	0.7
358.89380	0.7
359.20181	1.4
359.24316	11.9
377.25323	3.4
394.23273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01867	2.0
65.03926	1.3
67.05493	1.1
69.03442	1.1
70.06593	4.6
70.84275	2.8
72.08158	2.1
75.77239	1.2
77.99397	1.2
79.05493	2.9
81.03434	1.3
84.08147	2.1
85.02896	4.5
86.09709	1.6
87.04439	1.5
91.05492	17.4
94.04196	1.2
97.02900	2.8
103.05481	20.7
105.03400	4.2
105.07041	10.3
107.04981	3.3
109.06519	5.0
115.05461	3.9
115.60712	1.1
117.07050	1.8
119.04955	25.2
121.06541	2.1
122.03663	5.5
123.08112	1.6
125.05932	1.4
128.06258	1.4
129.07018	3.7
131.04944	48.9
131.08566	2.0
133.02888	3.6
133.06493	9.3
137.05997	100.0
141.07036	1.2
143.04930	1.5
143.06026	1.7
145.04948	1.5
145.06464	2.1
147.04436	12.3
149.06055	3.5
151.07567	13.1
153.05466	1.5
157.06525	5.7
159.08101	3.0
160.05171	2.2
161.06001	42.4
162.06766	3.1
163.07570	32.6
165.05521	2.1
172.05223	1.8
174.06792	4.0
175.02017	1.2
175.07574	18.0
179.07033	13.7
187.07578	18.2
189.09145	12.1
191.08725	1.3
193.08539	2.2
194.97993	1.1
199.07614	2.1
201.09137	2.4
203.08667	1.8
205.08612	5.8
211.07530	1.6
217.08542	5.5
219.08128	2.8
219.10121	12.1
230.11310	3.1
235.09805	2.2
247.07524	2.2
248.08340	2.2
248.16534	1.4
251.10727	1.4
259.07486	1.7
263.10651	2.4
271.09744	1.8
278.26797	1.3
279.10187	4.3
291.10254	6.0
296.10657	1.3
297.11353	1.3
308.10394	1.5
308.22183	1.4
309.11276	4.1
311.12872	15.1
323.12863	8.8
325.14398	1.6
329.13919	2.7
341.13831	18.9
556.27020	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	556.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.2
53.03942	0.6
55.01869	0.2
65.03934	0.5
69.03428	0.4
70.06606	0.2
70.11240	0.6
78.04700	0.2
79.05071	0.2
79.05500	2.8
81.03403	0.4
85.02907	0.7
87.00857	0.2
89.03908	0.4
91.05490	6.6
95.04977	0.7
97.02885	0.2
99.04420	0.2
104.04968	0.2
104.47910	0.1
105.03403	0.4
105.04521	0.4
106.04183	0.3
106.06566	10.2
107.04932	0.3
109.02875	0.2
109.06512	0.6
115.05447	0.2
116.04986	8.0
117.06989	0.4
119.06078	0.7
120.04449	0.2
121.06480	0.2
125.57576	0.1
127.03935	0.4
130.06543	0.8
131.08604	0.2
132.04477	0.7
132.08109	1.2
134.06027	100.0
135.06357	0.4
143.06314	0.1
143.07254	0.8
144.08095	20.7
148.07558	0.3
156.08131	0.8
157.07603	0.2
157.08809	0.2
158.09666	1.5
165.10248	0.8
168.08153	0.7
173.10815	0.4
174.09175	0.4
175.12349	0.9
176.07178	0.2
180.08133	0.1
184.07584	0.2
185.10814	0.2
186.09160	5.4
188.10703	1.1
198.09189	0.2
201.10258	0.9
202.04919	0.2
215.11861	0.2
216.10196	0.3
217.13406	0.5
290.16553	0.6
308.17606	21.9
309.17831	0.2
322.09274	0.2
332.17868	0.7
337.17630	0.4
348.14365	0.2
350.18692	13.8
351.19012	0.2
358.12946	0.8
374.12241	0.3
376.13913	0.3
380.13474	0.2
386.15506	0.2
392.13489	2.2
392.18759	0.2
394.15018	3.2
416.19614	0.6
423.17725	1.5
470.22794	1.7
494.22311	0.2
520.20703	0.5
538.21790	1.2
556.22925	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	554.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88012	8.5
69.04597	8.2
70.06595	100.0
70.07629	22.4
75.08431	8.5
75.57157	8.7
81.07057	33.0
90.93177	8.5
95.08614	9.9
129.18695	9.8
133.10243	9.2
137.05981	31.6
151.07562	24.2
160.05266	9.2
174.06726	22.5
175.07503	53.7
189.09085	59.3
201.09152	13.0
205.08603	12.0
219.10146	11.9
231.10205	10.9
242.43869	9.6
251.12245	9.2
284.10361	12.0
337.14038	12.9
344.08063	9.2
441.04678	10.7
481.53891	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	554.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01862	2.8
55.05276	1.6
55.05518	21.1
57.03443	6.0
57.07080	9.2
60.04539	1.2
67.05507	9.9
69.06731	1.8
69.07074	25.2
70.10812	0.9
71.05010	1.6
71.08639	5.9
79.05071	1.5
79.05498	15.2
81.03420	1.6
81.07072	13.8
83.04975	1.8
83.08163	1.3
83.08630	23.3
83.15303	1.3
85.10183	3.0
91.05473	3.5
93.06487	1.7
93.07050	25.8
95.04949	4.2
95.08616	24.1
97.02894	1.3
97.06518	3.4
97.10172	13.9
99.04446	1.6
105.07025	3.7
107.04940	4.7
107.08604	18.7
109.06509	1.4
109.10159	2.6
111.08073	2.0
111.11725	5.2
117.07027	3.9
119.08605	5.6
121.06499	3.8
121.10145	8.2
125.06033	1.2
125.13268	1.1
133.10115	2.1
135.08119	1.4
135.10689	2.1
135.11697	30.2
141.30957	1.2
145.09081	1.8
145.10141	18.6
163.09868	2.0
163.11195	33.2
178.06956	1.1
181.12209	4.3
207.77942	1.0
227.12805	54.0
237.22226	1.9
238.62439	1.1
283.15427	35.0
311.25830	92.0
312.26230	1.4
519.36890	100.0
520.37708	1.2
564.57416	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.8
60.21819	1.2
65.67342	1.2
67.05513	10.3
69.03418	1.3
69.07079	7.9
71.11114	1.4
71.11452	1.1
79.05082	2.2
79.05506	34.9
81.03397	1.3
81.07072	19.7
83.04984	1.2
90.91470	1.0
91.04977	1.6
91.05496	22.4
93.07063	10.4
95.04984	9.0
97.06497	1.4
105.07045	28.8
107.04947	6.4
107.08608	27.2
109.06536	0.9
115.89411	1.0
117.07018	3.2
119.08601	14.5
129.06996	3.9
131.08580	7.4
133.06502	2.2
133.10162	12.0
136.07599	1.5
142.07736	1.3
145.10149	4.9
145.58363	1.1
147.08064	3.7
147.10535	1.9
147.11708	38.2
157.10159	3.8
159.11676	4.3
159.17879	1.4
161.13356	1.2
171.41885	1.0
175.11201	12.5
176.14328	1.7
192.13852	1.6
204.13853	15.7
260.20132	100.0
278.21198	23.6
449.84967	1.1
455.01282	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	4.6
55.05512	8.0
58.06588	7.0
67.05520	11.0
71.52654	5.5
72.08155	27.4
79.05499	40.0
81.07068	15.3
91.05486	20.7
93.07046	49.2
95.04987	6.5
95.08611	7.0
97.32130	4.9
100.54996	4.3
105.07034	14.3
107.08582	11.1
109.38437	6.1
117.07056	5.5
119.08601	18.0
119.84840	5.0
121.06500	5.9
121.10143	19.1
121.54240	5.5
125.52196	5.5
131.08545	5.9
133.06490	4.8
133.10129	6.9
139.09921	7.8
147.08142	6.2
161.13281	21.7
185.20207	4.7
224.17868	5.7
260.20099	100.0
278.21121	37.6
569.15808	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	554.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51968	13.1
61.16228	14.2
64.00790	14.5
70.83025	38.5
76.23602	14.6
91.05489	17.5
92.35770	17.6
95.08603	16.2
98.21020	21.1
107.08566	27.0
117.07027	14.6
135.04399	66.9
137.05995	32.3
143.04877	21.0
173.05972	100.0
175.07556	51.2
187.07581	31.0
203.07130	37.0
204.20532	15.2
233.08142	34.3
274.66263	14.5
304.33331	15.1
382.51764	17.6
448.05426	15.8
572.71564	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	554.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.1
54.93845	2.5
55.05511	4.2
55.93525	2.9
56.05043	2.0
56.94306	3.3
67.05512	13.1
68.05042	1.8
70.06599	4.5
70.95879	3.1
71.07372	6.3
71.52734	3.4
72.08161	26.8
72.93782	10.3
79.05501	63.8
80.05847	1.8
81.03405	1.9
81.07063	13.5
90.94859	4.6
91.05483	33.1
93.07062	8.1
95.05002	3.7
95.08582	2.5
96.04514	5.4
96.26215	2.0
98.06071	2.5
99.94857	2.2
101.96411	6.0
103.98017	2.4
105.07046	32.1
107.04961	2.9
107.08611	38.1
109.06572	2.8
113.96466	2.8
118.87831	2.0
119.08599	8.5
128.96373	7.1
131.08580	4.2
131.97449	2.8
133.10156	12.7
139.09935	10.2
146.97437	3.1
147.11693	37.1
149.13246	8.0
152.10677	3.3
152.99980	1.8
157.99013	5.0
165.00056	4.5
175.11259	5.6
178.97939	5.8
192.99487	4.9
199.02100	14.7
201.03630	3.6
203.05196	4.4
219.01195	2.1
243.05031	1.8
246.18555	77.7
247.18903	3.8
260.07358	5.0
264.19580	29.8
265.19931	2.9
279.06760	2.2
290.65735	3.2
291.16290	3.5
316.12048	3.3
317.11890	14.4
318.11545	100.0
319.11942	7.0
359.14139	6.9
580.30432	5.6
581.30145	9.4
582.30560	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	554.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.4
55.74068	2.8
57.07080	3.8
58.73972	2.6
59.65913	2.9
64.99844	2.9
67.05507	16.3
69.07069	8.6
69.80169	14.2
70.07409	3.0
79.05492	15.1
81.07073	21.4
83.08620	8.4
85.06538	5.6
91.05483	15.3
93.07048	41.1
95.08613	16.8
96.08924	4.0
97.10209	3.5
105.05965	2.6
105.07038	11.7
107.05017	4.7
107.08614	22.6
108.08930	4.6
109.10183	8.7
115.05483	6.3
117.07038	4.1
118.07363	2.9
119.08616	9.0
121.10130	4.6
129.07018	10.7
131.08604	8.4
132.08943	3.5
133.10150	5.1
135.04442	54.3
135.11687	41.5
137.06020	20.3
143.05020	8.8
143.08597	9.1
144.08928	5.1
145.06493	5.5
145.10103	9.4
146.10483	3.1
147.11690	4.3
155.08623	3.8
157.06502	3.7
157.10065	3.8
158.10480	5.1
159.11691	5.3
160.05286	3.6
160.12074	4.1
161.06055	3.7
161.13310	3.6
169.10136	7.2
171.11780	7.3
172.11986	3.9
173.06000	35.8
173.13304	5.3
175.07556	21.8
185.05946	18.5
185.13281	8.2
187.07565	9.5
189.09125	3.2
199.14864	5.3
203.07071	21.0
205.08617	5.8
233.08130	15.2
317.25226	3.1
339.12299	6.3
448.32828	4.9
482.35153	3.1
518.40698	10.1
536.41791	12.8
554.42914	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79244	8.0
55.05526	10.7
67.05512	14.8
69.07087	12.7
70.78095	9.2
71.05004	20.3
71.52979	16.1
72.08157	16.5
79.05488	27.6
81.07068	45.6
81.30114	9.3
83.08638	8.8
91.05488	15.2
93.03354	8.2
93.07049	52.4
95.08624	13.2
103.75809	9.3
105.07059	22.6
105.22433	8.2
107.08620	37.6
117.06985	10.8
119.08556	13.7
129.07002	9.3
131.08569	22.8
135.04428	40.0
135.11710	55.9
137.05975	25.9
143.04961	13.4
145.10144	9.3
153.12764	100.0
173.06026	26.0
175.07599	21.2
185.06013	19.0
187.07596	11.6
232.46143	9.6
269.52692	9.1
455.42453	10.2
536.39117	38.2
554.30078	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	554.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24063	7.1
67.05485	8.8
67.69822	7.2
69.03434	22.8
69.50482	8.1
71.52838	10.0
81.07051	22.3
91.05492	9.0
93.07067	39.1
97.06569	9.6
105.06985	13.3
107.08573	54.9
109.06519	27.1
115.05479	15.9
116.26162	7.7
120.74904	6.9
123.11713	11.0
129.06944	8.3
135.04427	67.4
135.11676	24.3
137.06006	49.5
143.04927	18.3
145.06471	19.5
151.11208	83.6
153.12730	18.7
154.29428	7.4
160.05130	8.9
173.06006	100.0
175.07603	45.2
185.05930	37.4
187.07515	25.0
189.09048	9.7
203.07005	41.1
205.08627	11.1
231.07964	7.9
233.08223	47.2
235.09665	15.1
247.07849	7.2
269.08154	7.5
285.78876	7.1
308.06702	8.6
321.11285	11.2
339.12128	11.7
349.05389	8.0
362.73364	7.7
377.25504	9.0
506.36575	9.5
549.72803	10.7
554.27795	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	554.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46026	6.4
59.39713	6.9
59.50839	6.5
69.87254	7.9
71.04985	26.5
71.27044	18.0
73.06581	7.9
79.07245	7.1
81.07048	26.5
93.07040	30.6
102.07471	7.3
107.08620	19.2
108.97644	7.9
135.04454	19.6
135.11731	51.7
137.05930	16.6
143.04901	11.4
145.55891	8.5
153.12764	100.0
159.56934	7.3
173.05966	21.0
175.07539	27.5
185.05933	16.3
192.39388	7.2
199.25905	9.2
273.77118	7.2
291.86697	7.3
324.45670	7.8
401.28024	8.0
455.96066	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	554.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55690	10.8
81.07043	4.8
87.49355	3.8
91.05486	12.9
93.07047	75.5
107.08607	34.6
115.05477	5.4
117.07022	4.6
129.07031	7.7
135.04420	64.2
135.11699	100.0
137.06006	28.6
143.04930	16.0
145.06506	7.9
151.03926	5.0
155.01036	6.3
157.06589	7.0
160.05132	5.6
173.05992	64.3
175.07559	28.0
184.30441	4.3
185.05974	20.0
187.07539	21.9
189.09123	6.1
203.06985	23.3
205.08588	7.2
215.07068	6.7
226.24280	4.8
233.08125	40.7
235.09756	7.8
261.08994	4.9
269.08154	5.7
321.11508	8.2
339.12231	11.9
355.11642	6.9
548.34277	4.5
554.27875	5.7
554.36102	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31502	5.6
55.05515	6.9
67.05495	9.2
69.03424	16.7
77.04855	5.2
81.07044	17.7
91.05492	9.2
93.07037	13.6
95.04960	8.0
96.95633	6.1
107.08582	17.8
109.06517	21.9
109.10184	7.4
116.84020	5.1
133.10107	12.7
151.11197	100.0
201.84767	5.5
281.18259	5.8
314.55255	5.6
387.16486	5.9
437.99783	6.3
526.44904	6.1
571.56146	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	554.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.03952	1.8
55.01872	0.6
68.99807	0.3
70.00066	0.3
70.84369	0.6
70.84704	0.3
77.07115	0.3
79.05503	2.6
81.03418	1.3
83.04982	0.4
83.57378	0.3
91.05492	0.6
93.30756	0.4
95.04980	2.0
97.02927	0.4
105.04503	0.9
105.07039	0.4
106.91587	0.3
107.04966	100.0
109.02872	0.3
111.04493	0.3
121.06507	0.3
125.02373	0.9
128.06270	0.4
129.07057	0.6
131.08562	0.3
133.06517	0.4
135.04466	0.4
135.06825	0.5
136.05296	0.3
137.02274	0.3
137.05983	0.7
141.07050	0.3
143.08565	0.4
145.06497	2.0
146.07262	0.6
149.02318	0.7
151.03929	0.7
151.07556	8.5
152.07098	0.8
153.01910	0.5
155.03430	1.0
157.06477	0.9
158.07291	0.6
159.08076	2.3
160.08945	0.5
161.05986	0.8
163.03929	0.4
165.01935	0.5
167.03439	2.0
171.08101	0.6
172.08878	2.3
173.06035	1.3
174.06766	1.1
175.07581	1.4
176.08337	2.2
177.09113	1.5
179.03404	1.4
181.06535	0.4
184.38416	0.3
187.07619	1.8
188.08347	3.4
189.09123	13.8
190.09886	0.7
191.03467	0.4
191.06970	0.5
191.10715	1.2
195.08145	0.5
196.08871	1.0
199.07629	0.4
200.08412	0.6
201.09164	2.6
202.09918	1.8
203.10675	6.7
209.04478	1.6
211.07622	0.4
212.08485	0.4
213.09151	1.5
215.10648	0.6
216.07932	0.3
217.08595	0.4
219.10120	2.0
222.10390	0.4
224.08414	0.6
226.09824	0.5
227.10696	0.9
231.10162	7.5
239.10669	0.6
249.11255	6.5
254.09264	0.4
255.10272	0.7
263.10770	0.8
265.08698	0.5
278.09387	0.4
279.10333	0.4
281.11539	0.7
291.10345	0.5
295.09787	0.4
297.10983	0.4
306.09006	0.4
307.09720	0.8
309.11288	1.5
311.36038	0.3
325.10767	1.1
327.12128	0.5
337.10672	2.7
339.12271	1.7
349.10907	0.4
350.11798	0.6
355.11832	5.1
357.13385	1.2
367.11679	1.8
368.12411	0.6
373.12952	1.2
385.12918	2.1
403.13208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88731	0.3
51.02382	0.4
53.03954	1.8
55.01870	0.8
57.07070	0.4
58.69246	0.3
65.03928	0.3
65.40853	0.3
67.05531	0.5
68.99791	0.4
70.02638	0.9
70.06590	0.4
71.08624	0.3
71.31126	0.3
79.05503	2.3
81.03429	1.0
81.07050	0.3
85.02927	0.3
89.06046	0.6
91.05486	0.5
95.04984	1.7
97.02944	0.3
98.09727	0.3
105.04522	0.7
105.07076	0.3
107.04967	100.0
109.02979	0.3
111.04496	0.3
113.37872	0.3
119.04934	0.4
119.70526	0.3
123.04481	0.5
125.02341	1.3
128.06245	0.6
131.04947	0.4
135.04419	0.3
135.06827	0.4
144.05740	0.6
145.06519	1.9
146.07317	0.7
147.16411	0.3
149.02353	1.0
151.03986	0.8
151.07558	7.9
152.07065	1.0
153.01865	0.4
155.03410	1.2
155.04565	0.3
157.06497	1.0
158.07304	0.9
159.08076	1.9
160.05238	0.4
160.08865	0.8
161.06003	0.9
163.03957	0.4
163.07454	0.3
165.01830	0.4
167.03415	1.8
171.08060	0.6
172.08835	2.8
173.06021	1.1
174.06810	1.2
175.07588	1.2
176.08356	2.0
177.09114	1.1
179.03426	1.4
179.07059	0.3
183.08086	0.4
187.07555	1.3
188.08336	3.3
189.07407	0.7
189.09122	13.9
190.09940	0.6
191.03416	0.3
191.10660	1.5
196.08870	0.9
200.08330	0.5
201.09119	3.1
202.09906	2.3
203.07059	0.3
203.10681	6.0
209.04485	1.3
209.09692	0.3
212.08333	0.3
213.09106	1.3
216.07896	0.3
218.09215	0.3
219.10150	2.1
224.08411	0.4
225.09093	0.4
226.09689	0.4
227.10690	1.1
231.10196	7.1
232.10716	0.3
235.07573	0.4
239.10789	0.6
241.12294	0.3
243.10220	0.3
247.06233	0.3
249.11252	7.6
250.09869	0.4
255.10414	0.5
258.01151	0.3
267.10083	0.6
278.09415	0.6
279.10199	0.8
281.11771	0.5
291.10239	0.5
306.08731	0.3
307.09763	0.8
309.11237	1.6
319.09238	0.3
325.10785	1.1
327.12390	0.5
337.10770	3.0
339.12314	1.8
355.11777	5.0
357.13358	0.9
367.07803	0.3
367.11743	1.8
368.12546	0.5
373.12656	0.6
385.12766	1.8
403.14050	0.5
554.44684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.0
56.05036	6.9
57.07072	4.4
60.04512	2.8
67.05501	14.0
69.07069	9.2
71.53502	3.1
79.05504	11.3
80.05035	4.0
81.05809	2.9
81.07069	11.9
82.06574	5.6
83.08622	5.7
91.05499	7.1
93.07047	13.3
94.06569	20.4
95.04961	3.2
95.07363	8.0
95.08618	9.4
96.08134	4.2
97.10223	3.9
105.07047	7.6
107.08599	7.0
108.08128	3.8
109.10188	4.4
119.08582	4.1
121.10135	4.8
122.09658	2.8
133.10175	2.6
135.11682	4.1
233.22739	4.6
245.22650	5.8
250.25275	12.3
262.25323	100.0
272.25873	6.1
280.26303	11.3
436.26563	2.4
481.82339	2.6
504.48090	5.1
516.48022	14.6
534.49335	11.0
552.27954	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	553.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46003	0.1
65.61845	0.1
67.04250	0.2
69.03432	0.2
69.65392	0.4
69.65813	0.4
85.02928	0.2
89.54959	0.1
98.20789	0.3
98.97611	0.2
105.07025	0.4
113.02706	0.1
115.05467	2.1
117.03490	0.1
117.05783	0.9
129.01357	0.1
130.06516	0.2
132.08093	3.7
132.87810	0.1
133.06477	0.5
142.06499	0.6
143.07315	0.4
148.07613	0.1
159.06799	0.3
160.07582	100.0
161.07890	0.4
163.03943	0.7
177.10239	17.0
187.04550	0.2
203.03951	0.2
206.13850	0.1
221.05101	0.3
224.44972	0.1
235.66055	0.1
295.21487	0.1
305.05493	0.2
307.08740	0.4
553.18854	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.05526	2.9
56.05018	1.6
56.53880	1.4
57.07071	2.5
60.55690	1.7
65.03921	1.9
67.05499	5.3
69.03419	2.5
70.06583	2.4
71.07359	5.8
71.53246	2.8
71.53643	1.9
72.08158	13.9
74.09724	2.6
79.05499	72.8
81.03413	2.9
81.07074	8.8
91.05479	16.6
93.07044	6.7
95.04977	7.9
95.08588	3.7
98.06042	1.6
105.07028	14.4
107.04929	3.2
107.08605	64.7
109.85192	1.7
113.87278	1.5
114.30990	1.7
119.06081	2.2
119.08589	4.5
131.08578	3.7
133.06482	2.3
133.10120	11.6
133.69452	1.7
139.09952	11.3
147.08072	2.2
147.11719	9.8
149.13257	5.8
152.10716	1.7
153.66609	1.6
154.12303	2.1
175.11150	8.0
181.73747	1.5
246.18556	100.0
248.20161	13.4
343.25797	1.6
345.42853	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	5.1
59.70433	4.6
65.66071	4.3
67.05511	5.4
70.06593	13.2
70.18056	12.1
81.07061	7.9
83.04979	8.6
86.06724	4.7
93.07073	5.8
95.08649	6.7
100.19127	5.7
107.08587	7.2
109.06555	9.0
109.10213	6.0
115.66976	5.7
133.10106	7.4
135.04471	5.8
151.11201	100.0
159.90834	4.6
160.22137	4.5
173.06053	5.0
255.31810	4.8
291.48810	6.1
390.86145	4.9
392.13126	5.0
397.33765	4.5
508.69095	5.1
547.18665	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	552.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.4
55.05506	13.9
56.42976	3.9
60.74410	4.4
67.05511	20.2
69.07072	29.2
70.18980	5.0
71.06799	4.5
73.23124	4.6
79.05502	10.6
81.07064	27.7
84.30692	4.6
91.05470	18.1
93.07066	99.0
95.08612	27.1
105.07042	5.8
107.04957	21.2
107.08605	58.1
109.10176	11.8
111.11741	6.4
117.07042	7.3
119.06025	5.3
121.06487	5.8
121.10143	6.8
131.04948	23.9
133.06506	10.4
135.11713	100.0
145.06523	8.8
147.08099	4.6
157.06471	16.2
159.08005	4.9
159.63075	4.4
162.75751	4.5
171.08035	8.0
173.09695	6.0
185.09598	6.9
207.08069	5.5
241.15654	6.3
306.32690	4.7
328.07855	7.1
496.27090	5.5
499.39313	5.3
517.40222	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.484
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52892	1.8
55.05506	4.6
57.07078	38.6
60.04536	2.2
64.71191	2.2
69.07066	5.8
69.40989	6.9
69.41397	8.3
71.08632	30.8
73.06554	4.5
83.08615	5.7
85.10188	18.5
87.04469	3.0
89.06040	100.0
97.10181	6.0
99.11719	3.9
101.58447	2.2
111.11728	5.0
114.52103	2.0
117.06168	2.3
117.09082	3.1
126.79333	1.9
130.08621	4.5
133.08618	54.0
172.40895	2.0
177.11252	21.8
183.21220	2.3
195.12425	2.7
221.13797	4.0
225.04298	3.0
239.15015	2.4
276.07062	2.1
283.17599	22.7
297.31412	2.1
341.34219	6.4
385.36832	3.5
452.64938	2.3
535.45673	28.2
552.50183	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	552.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60687	3.4
67.05515	5.9
69.03448	17.4
76.76977	3.0
77.87602	3.1
79.37872	3.2
81.07063	17.8
91.05481	7.6
93.07044	5.8
95.04957	5.8
105.07072	4.4
107.08588	13.2
109.06516	16.2
109.10146	6.7
120.31102	3.1
123.08064	3.9
123.11716	5.8
123.66322	3.6
133.10182	8.2
135.49782	3.2
151.11208	100.0
166.12431	3.5
229.19978	4.4
246.61426	3.2
427.71725	3.3
471.23843	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	552.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	12.4
57.38799	3.7
71.53815	4.7
79.05494	4.3
81.07036	5.1
83.04496	5.1
83.04987	100.0
93.07031	4.3
98.84363	4.2
107.08597	4.1
109.06555	4.2
109.10089	4.1
119.08580	4.1
135.04427	42.2
137.05966	32.1
151.11168	5.3
173.05940	11.5
185.05963	4.3
213.54268	3.9
233.08247	5.4
297.79984	4.1
321.11389	7.3
331.02560	3.5
339.12366	6.9
364.71231	3.7
366.30984	3.0
372.10068	4.7
492.31613	8.3
552.33929	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	6.8
62.68599	2.7
63.35682	2.5
67.05502	9.3
69.03429	24.2
72.75486	2.8
76.76808	3.2
79.05518	4.5
81.07073	16.2
91.05446	3.2
93.07059	14.2
95.04993	4.9
105.07021	7.6
107.08629	15.7
107.33427	2.6
109.06533	26.4
109.10189	4.3
123.08065	4.9
123.11730	9.6
133.10175	10.1
151.09969	5.4
151.11203	100.0
276.23282	21.3
277.23526	6.3
433.84766	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	551.3139
Annotation	Rescinnaminol
Peak:m/z	Relative Intensity
52.58128	1.1
57.07091	1.4
69.07079	1.1
69.51221	3.0
69.51642	4.2
81.07053	1.1
93.07068	1.1
95.08596	1.7
98.21486	2.0
160.07587	1.3
303.05200	1.4
551.31409	100.0
551.49188	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	551.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05537	7.2
57.07086	16.3
62.85591	7.9
63.16547	6.9
67.05516	34.2
69.07088	22.4
70.09540	19.2
70.09953	16.1
79.05515	24.6
81.07050	47.9
83.08651	8.4
91.05486	37.3
93.07059	61.2
95.08602	57.8
98.20789	7.2
105.07045	68.8
107.08601	58.3
109.10161	49.2
117.07055	16.2
119.08589	100.0
121.10135	52.0
123.11707	14.1
128.06174	8.8
131.08560	39.5
133.10136	65.0
133.75911	9.2
135.11743	45.9
142.07788	15.3
143.08621	27.8
144.09315	10.8
145.10129	72.0
147.11740	31.1
149.09663	9.2
155.08548	11.5
156.09460	8.6
157.10127	41.7
159.11731	40.3
168.09430	8.6
169.10193	19.1
171.10437	7.9
171.11763	21.5
173.13326	26.9
175.14825	38.9
181.10114	15.8
183.11749	20.5
185.13329	19.7
187.14870	13.7
189.85474	7.2
192.23386	6.7
195.11617	12.4
197.13324	24.4
199.14886	9.9
209.13223	14.2
211.14824	13.5
213.16449	10.2
223.14870	17.7
249.16357	9.0
303.04999	9.2
345.25519	9.2
367.51819	8.1
453.77182	9.0
533.41022	11.1
551.42804	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	551.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59524	0.8
53.03938	3.8
55.01865	1.6
55.05516	12.1
57.07076	2.4
65.03935	2.9
67.05516	6.4
67.48432	0.7
68.99799	1.1
69.03416	3.9
69.07074	86.7
70.06586	1.6
71.32111	1.4
77.03899	1.0
79.05499	12.1
81.03436	4.2
81.07060	10.7
83.08600	3.1
85.02911	12.2
85.06553	8.6
87.00834	5.0
89.22862	0.8
89.96291	0.8
91.05487	22.8
93.07052	97.1
95.04961	3.7
95.08068	1.6
95.08617	17.9
97.02895	6.6
97.10176	10.0
99.04441	2.4
99.91888	0.8
105.01878	12.2
105.04530	1.5
105.07037	11.6
106.04131	1.3
107.04967	8.3
107.08604	79.2
109.02877	3.8
109.06525	2.1
109.10165	11.0
111.11732	35.8
115.05488	1.3
116.04976	1.7
117.07010	2.4
118.06553	0.9
119.06053	1.7
119.08582	4.6
120.05713	1.9
120.09341	1.4
121.06528	1.0
121.10155	4.2
123.11720	4.4
127.03941	9.1
129.06985	1.1
130.06543	12.0
131.04941	13.8
131.08556	1.8
132.05627	1.9
133.06516	1.4
133.10118	1.1
134.06018	2.2
135.11707	100.0
143.08571	2.1
143.49799	1.0
144.05627	2.4
145.04996	5.4
145.06502	6.0
146.06033	17.0
146.07169	1.4
155.08540	2.0
155.42444	0.9
157.06438	1.1
157.10017	1.2
158.05997	7.4
158.07240	1.8
159.02939	1.9
159.08043	1.3
160.07579	12.4
160.08850	3.5
170.06003	9.7
171.08070	1.6
172.07648	5.7
172.08887	2.0
173.09663	5.6
174.09143	11.9
184.07605	17.2
186.09151	4.5
188.10710	2.1
198.09158	8.7
199.11217	1.8
200.10707	12.9
212.10696	8.8
226.12186	1.1
231.05025	5.8
249.06020	2.0
268.16998	15.0
268.19614	1.6
284.09775	2.3
382.10983	1.0
448.77597	1.0
477.32474	1.1
551.27649	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
65.39223	0.5
66.26313	0.4
69.17924	2.4
69.18358	2.3
70.06559	0.6
86.09705	0.8
97.06625	0.5
98.21605	0.6
103.58694	0.5
111.63528	0.4
121.87184	0.5
126.06567	0.7
141.01808	0.5
158.87444	0.6
184.07384	1.4
185.07809	0.7
193.12030	9.7
194.12740	0.5
303.05185	0.8
317.17276	30.8
337.10211	0.5
365.09991	2.3
371.85205	0.5
379.11493	1.3
380.12317	6.9
381.13010	3.5
551.26263	100.0
552.26099	0.9
576.19977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69611	1.5
53.03936	5.1
55.01860	2.6
55.05503	6.4
57.03454	8.5
57.07076	1.8
61.02938	9.3
67.05507	5.1
69.03431	26.3
69.07062	6.7
70.06601	35.8
70.84226	1.9
71.04993	10.8
71.52388	2.9
72.08141	3.2
73.02934	2.9
79.05495	7.4
81.03421	9.5
81.07063	20.5
83.08607	4.1
84.04486	2.2
84.08158	13.0
85.02913	96.8
85.06534	5.3
86.09693	3.6
87.04470	11.5
91.03962	4.0
91.05490	14.9
93.07059	18.3
95.04967	2.8
95.08622	20.0
97.02895	34.3
97.06522	6.5
99.04465	26.4
102.05535	3.9
103.04802	3.2
103.05476	55.9
104.07092	3.3
105.07030	29.0
107.04967	3.6
107.08607	26.2
109.02861	7.0
109.06535	4.0
109.10144	4.8
110.07190	3.1
111.08109	3.2
115.05421	2.4
115.07560	2.2
115.08716	2.2
115.55292	1.9
116.07117	5.5
117.07028	7.8
119.04974	2.0
119.08591	12.8
120.08096	3.5
121.06490	5.5
121.10165	13.2
123.08059	3.4
123.11718	48.1
125.09698	1.7
127.03928	20.8
129.06973	3.1
129.10271	7.3
131.04941	100.0
131.08580	29.4
133.06500	5.9
133.10147	19.9
135.08075	6.2
135.11676	11.0
137.05989	30.4
138.05476	6.3
138.06404	10.0
139.06512	3.2
139.07556	4.0
143.08490	2.4
144.09346	2.5
144.13910	2.8
145.04973	28.9
145.10149	13.4
147.11691	8.9
149.06058	3.5
149.09631	5.4
149.13297	7.5
151.03979	2.5
158.10915	5.9
159.11702	2.2
161.05983	7.1
161.13251	13.0
163.06038	9.2
163.07552	35.7
163.11284	2.2
163.14845	27.9
167.07057	16.6
169.12183	2.2
171.11583	2.3
172.22652	1.9
173.09380	2.0
173.13278	77.7
175.07607	3.9
175.14752	2.4
181.04950	2.1
183.13824	5.8
191.07042	2.9
191.14330	98.3
193.08669	14.5
209.08035	2.6
209.15378	53.1
225.10301	3.0
225.73758	1.9
227.16435	61.3
255.11185	3.0
257.12817	3.6
268.12195	2.3
303.05115	3.2
313.11801	3.8
314.12436	2.4
317.17484	2.6
371.20767	3.7
408.27020	2.1
445.16037	2.1
491.16608	10.3
493.99084	2.0
519.16119	7.9
544.16998	1.9
551.19611	33.2
551.29138	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	551.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26210	0.3
54.82218	0.4
69.29788	3.2
74.02464	0.6
89.03938	1.0
91.05486	1.0
91.89054	0.4
115.05470	1.0
117.03432	0.7
117.05801	0.6
117.07057	1.1
118.06554	17.5
130.06577	1.1
132.08116	5.2
135.04443	0.8
142.06506	1.9
143.07283	2.1
144.04514	0.4
144.08102	13.1
145.02872	0.6
146.06024	60.3
147.06381	0.6
159.09187	5.5
160.07565	0.9
163.03906	4.8
170.06033	4.0
188.07085	100.0
189.07419	1.5
205.09746	45.9
206.10107	0.5
237.12798	0.4
255.01721	0.4
269.30652	0.4
292.59219	0.4
305.09753	0.4
532.37170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01867	2.9
66.04702	0.9
67.05518	1.0
68.05042	0.7
69.03427	1.3
70.06603	19.4
71.04995	1.4
72.08164	1.0
74.06070	0.8
79.05508	9.2
79.50553	0.8
81.07046	1.5
84.04500	2.9
84.08167	6.2
85.02924	5.4
86.09724	1.2
90.04683	1.4
91.05483	6.1
95.04964	1.8
95.08611	1.5
96.10242	0.6
97.02894	2.2
97.32412	0.8
99.04462	2.8
103.05482	21.5
105.07047	68.8
106.18712	0.9
107.04975	1.3
107.08614	1.8
109.02878	1.0
110.07169	2.5
115.05468	17.4
115.08711	1.0
115.37869	0.7
116.07111	4.0
117.07036	0.8
118.04156	8.0
119.04951	2.3
119.08575	0.9
119.69881	0.7
121.06544	0.7
121.10111	1.1
123.08076	1.0
123.11702	2.1
127.03863	1.1
129.10278	2.2
130.04158	1.0
130.05020	0.7
131.04942	11.1
131.08537	1.2
132.05763	1.9
133.06508	61.6
137.05998	2.9
143.05019	1.1
143.06046	6.5
143.08182	0.8
145.04947	1.4
147.04430	2.5
148.05186	7.7
156.78871	0.8
161.06004	100.0
163.06223	1.0
163.07550	15.1
173.05936	1.2
173.13316	2.8
173.77615	0.7
176.04709	1.5
179.07085	1.2
191.07056	65.2
191.14383	4.1
193.08636	44.0
209.15407	3.3
227.16454	4.6
242.10318	1.4
257.12921	1.0
283.06131	1.8
310.08878	0.8
311.05807	0.7
313.07193	1.5
313.11960	0.9
323.09238	0.9
337.07257	1.1
379.08145	1.2
396.18854	1.1
484.29517	0.8
519.15424	2.3
551.17535	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	551.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64130	1.8
53.03934	5.1
55.01866	6.5
55.05509	2.1
57.03439	5.2
60.80553	1.9
61.02907	5.1
65.03936	2.3
68.99791	2.1
69.03436	17.6
70.06584	7.4
71.04995	3.5
71.52264	1.8
71.52713	2.3
73.02925	2.0
79.05485	7.7
81.03419	32.5
81.07078	3.2
82.56457	1.8
84.08121	1.9
85.02915	38.1
87.04453	1.8
88.79047	2.0
91.05482	4.6
93.03390	1.9
93.07070	1.9
94.04194	3.9
95.04996	5.0
95.08635	2.0
97.02900	11.3
97.06516	2.8
99.04486	3.5
103.05505	2.4
105.07050	4.4
107.04926	4.6
109.02889	10.5
109.06514	5.8
109.10158	2.3
111.04431	8.0
115.05464	7.1
115.31138	1.9
117.07036	4.4
119.04909	2.9
119.08521	2.3
120.08163	2.2
121.06493	3.2
122.03661	7.2
125.05979	4.4
126.10165	1.8
127.03931	12.1
128.06210	6.4
129.07011	28.5
131.04938	8.7
131.08516	2.4
133.02843	2.4
133.44415	2.1
135.04434	36.2
136.05205	4.3
137.05991	86.5
139.03914	3.4
139.07542	2.4
141.05481	11.5
143.04944	8.3
145.05038	4.7
145.06493	10.5
147.04369	4.1
147.59599	2.1
149.02362	15.8
149.06036	2.4
151.03952	20.8
151.07552	28.2
152.01050	4.9
153.05489	60.6
155.07050	4.8
157.06494	26.2
158.07219	1.8
159.04497	4.4
160.05261	2.2
161.05998	8.1
161.09612	2.7
163.07684	2.0
165.05493	100.0
167.03429	99.6
171.04396	8.7
172.05225	2.5
173.06000	22.5
174.06818	9.9
175.07599	9.6
177.05577	5.0
177.09169	1.8
179.07071	4.7
183.36833	1.9
185.06021	4.0
187.07571	18.6
188.08397	3.2
189.05501	13.5
189.09128	25.1
190.06255	3.1
191.07030	5.0
193.04968	4.3
195.06502	3.5
201.05487	34.6
203.07045	28.4
203.10657	5.1
205.08598	16.8
207.06560	3.2
215.06905	2.9
217.06546	4.3
217.08615	62.7
219.06557	26.1
219.10156	5.7
221.08109	6.9
231.06511	18.4
233.08150	11.5
235.07565	2.5
235.09694	6.9
235.13263	2.4
237.07603	6.0
247.09724	17.4
249.07607	6.3
257.08011	2.7
262.09546	2.4
263.07205	2.4
275.07129	2.4
285.16049	2.9
291.09769	3.1
293.11752	3.6
299.09232	2.2
300.09927	10.3
303.04996	7.1
307.09467	3.1
311.09164	4.6
321.07687	2.9
321.11191	6.8
325.10812	4.3
325.14349	4.0
335.12833	3.1
341.10141	7.8
341.13922	13.4
353.10098	6.8
353.13834	14.0
359.11087	3.8
359.14896	3.0
371.11108	20.6
371.14951	52.3
373.16461	2.7
382.72589	2.1
389.12189	26.2
389.16083	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.7
55.01879	5.7
57.03439	4.7
59.36499	1.5
61.02935	4.7
68.99773	2.2
69.03438	17.7
69.29401	8.6
69.29830	5.7
70.06599	8.2
71.04978	3.0
73.02937	2.4
78.38371	1.5
79.05507	6.5
81.02985	2.6
81.03426	32.6
81.07070	3.9
84.08136	1.8
85.02914	34.9
86.27335	1.5
91.05499	5.0
93.07038	2.9
94.04206	3.9
95.04996	2.1
95.08592	2.2
96.02092	2.8
97.02922	13.4
97.06562	3.0
98.20784	3.9
98.52451	1.5
99.04465	2.9
103.05468	4.2
105.07021	2.4
107.04935	4.4
107.08568	2.5
108.05750	1.8
108.10928	1.6
109.02887	9.0
109.06512	5.5
109.10153	2.2
109.12888	1.6
111.04445	6.8
115.05474	6.6
117.07037	5.5
119.08570	1.8
120.08072	2.1
121.06542	2.1
122.03681	7.6
123.04426	2.6
124.05280	1.8
125.05967	4.8
127.03913	9.0
128.06245	6.7
129.07022	27.0
131.04971	10.2
131.08588	1.7
133.02859	2.2
135.04436	35.1
135.05449	3.6
136.05244	3.3
137.05997	83.1
139.03914	1.8
139.07553	4.3
141.05484	15.3
143.04936	6.4
145.04958	4.5
145.06523	9.9
145.10016	1.9
146.07205	1.8
147.04427	2.1
147.08037	2.8
149.02354	14.6
151.03906	18.5
151.04967	3.2
151.07558	30.5
152.01074	7.1
153.05486	58.7
153.35982	1.6
155.07106	2.6
157.06514	30.9
158.07344	2.1
159.04448	4.8
160.05231	2.5
160.08800	2.1
161.05981	4.3
161.09708	2.2
163.07541	1.9
165.05493	100.0
167.03429	98.1
167.07068	3.5
169.04980	1.9
171.04469	5.1
172.08855	1.9
173.06012	21.1
174.06714	8.4
175.04013	1.9
175.07579	7.0
177.05530	3.9
179.07201	2.5
185.05974	3.3
187.03923	2.1
187.07597	21.8
188.04768	2.0
188.08325	2.8
189.05533	13.0
189.09114	23.9
190.06317	3.9
191.07100	5.1
193.04977	4.4
193.08652	4.3
195.06589	3.2
201.05501	34.6
201.09215	3.0
202.06212	3.0
203.07042	27.3
203.10699	6.1
204.04366	1.9
205.08617	13.3
207.06509	2.7
213.05524	3.1
215.07108	2.1
217.08615	65.6
219.06543	19.1
219.10158	6.4
221.08070	7.7
229.08664	3.5
231.06590	16.6
233.08110	10.6
235.07513	2.7
235.09648	8.0
237.07484	3.3
247.07416	2.9
247.09669	22.3
249.05191	2.0
249.07649	7.6
257.08200	2.8
257.16391	2.6
261.09195	2.3
277.08856	3.4
285.07635	2.3
285.16000	4.4
291.10101	3.0
293.11774	2.2
295.09906	2.5
299.09164	4.1
300.09903	8.0
303.05133	5.3
307.09579	1.9
309.11066	1.8
311.09064	4.2
321.07739	2.3
321.11279	6.9
322.11847	3.3
325.10892	3.4
325.14478	3.1
326.11407	2.6
335.12750	2.5
338.11450	1.9
341.10156	7.5
341.13919	13.4
353.10245	11.2
353.13907	14.1
359.11255	4.3
371.11121	21.4
371.14978	52.8
373.12549	2.0
373.16745	3.1
389.12186	24.3
389.16025	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	551.1766
Annotation	Styraxjaponoside A
Peak:m/z	Relative Intensity
53.03954	1.3
55.01873	2.2
55.73481	0.5
57.03429	1.4
61.02923	3.1
61.48835	0.5
68.99776	2.2
69.03086	0.6
69.03436	9.7
69.79801	1.5
69.80189	1.3
71.04994	0.9
73.01833	0.5
73.02916	1.2
79.05487	1.2
81.03426	14.7
85.02911	22.5
87.04457	0.6
91.03968	1.0
91.05482	1.2
93.03395	0.8
95.04946	0.8
96.02106	2.3
97.02905	8.1
97.06540	1.6
98.20844	0.8
99.04469	1.0
103.05486	2.2
105.06985	0.6
107.04937	0.7
109.02894	5.7
111.04444	5.8
115.05469	4.8
117.07022	2.0
119.04959	1.2
121.02872	0.8
123.04442	0.9
125.05991	2.4
126.03181	0.8
127.03923	5.2
128.06233	3.0
129.07016	19.9
131.04933	7.3
131.08569	0.6
133.02844	3.0
133.06531	0.7
135.04428	30.4
137.06004	0.9
138.03137	2.1
139.03917	1.8
141.05475	13.6
142.37837	0.6
143.04945	4.9
145.04980	2.0
145.06500	4.0
147.04416	1.7
147.08072	1.3
149.02348	14.4
149.05894	0.7
151.03941	4.4
152.01050	7.5
153.05481	56.5
155.04950	0.6
155.06087	0.6
157.06503	16.3
159.04428	5.6
161.05971	3.4
163.03963	0.7
165.05499	2.2
167.03418	100.0
169.04976	1.7
171.04375	1.6
172.05223	1.0
173.05998	18.8
175.03969	0.9
175.07571	1.8
176.04594	0.6
177.05504	3.4
177.44507	0.5
178.02715	0.5
179.03334	0.5
185.05989	5.4
186.06729	0.8
187.03989	1.4
187.07564	19.7
188.04646	0.6
189.05478	10.3
189.07068	0.8
191.07059	1.4
193.04945	4.1
195.06509	1.3
201.05486	37.3
202.06111	1.0
203.07054	15.2
204.04175	0.9
205.04962	1.1
207.06485	0.7
207.08220	1.0
211.06058	0.9
213.05510	1.2
215.07033	0.6
219.04414	1.1
219.06544	21.9
221.08136	3.3
223.07584	0.7
231.06540	18.4
233.06030	0.7
233.08107	2.4
235.07663	1.2
237.07578	4.4
249.05371	0.8
249.07634	9.2
251.07123	1.2
263.07053	1.8
267.08725	1.0
275.06897	1.2
279.06412	1.1
283.09625	0.8
291.06473	1.0
292.07495	0.6
293.08090	1.6
295.09601	1.4
303.06512	1.0
307.09714	1.4
309.07593	0.9
311.09167	3.6
321.07684	1.7
323.09052	1.1
325.10754	3.7
335.09076	1.6
341.10205	7.2
353.10193	12.8
359.11252	3.4
371.11298	22.8
373.12918	2.1
389.12378	30.2
496.12976	0.5
575.69495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1401
Annotation	Syringetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03942	0.7
55.01858	0.3
55.05501	0.5
57.03426	0.7
58.06597	0.8
58.25095	0.3
59.04753	0.4
59.05008	4.2
61.02934	2.7
65.03957	0.3
67.05492	0.4
68.99799	0.5
69.03434	5.6
69.68288	1.5
70.06598	1.4
71.04987	0.4
72.08151	0.8
73.02911	1.1
79.05502	0.4
79.56496	0.2
81.03426	3.1
81.07051	0.6
85.02913	11.5
87.00864	0.3
87.04482	2.8
91.03965	2.4
91.05465	0.3
93.07037	0.7
95.04983	0.6
95.08609	0.6
97.02297	0.4
97.02901	7.6
98.20769	0.3
99.04459	1.0
101.02391	0.3
103.03915	0.4
105.05512	0.5
107.04968	0.4
107.08572	0.4
109.02895	2.3
111.00808	1.1
115.03960	0.3
116.07117	0.7
121.02873	0.9
121.10209	0.3
123.04454	0.4
127.03928	6.1
131.04980	0.3
135.04448	0.3
135.11668	0.3
137.02351	3.0
145.04968	6.1
147.04396	0.8
149.02347	0.4
151.03882	0.4
151.11267	0.3
153.01848	3.6
159.02907	0.3
161.06015	0.4
163.03926	0.9
163.06055	1.1
165.01865	2.1
166.02715	0.3
166.07698	0.3
173.05927	0.6
176.33623	0.2
177.05501	0.6
181.04927	0.4
183.02863	1.0
183.04370	0.6
201.05447	1.4
214.54039	0.3
219.03123	0.3
219.06372	0.3
229.05006	4.0
231.05083	0.3
231.08669	2.4
247.06001	0.7
249.09663	0.8
257.04486	2.7
266.21094	0.3
274.04764	0.7
284.22220	0.5
285.03995	1.6
285.22543	0.5
302.23242	0.9
303.05017	100.0
303.23657	0.7
304.05374	1.0
315.04996	0.5
330.25729	0.3
345.06018	1.2
369.06064	0.5
393.06042	0.3
409.74033	0.3
411.06992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1038
Annotation	Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
Peak:m/z	Relative Intensity
53.03939	0.6
55.01879	0.5
57.03433	0.5
59.04922	0.2
61.02919	0.7
68.99798	1.0
69.03437	6.2
69.41212	1.7
70.06606	0.2
71.04999	0.3
73.02920	0.7
73.44052	0.2
81.02990	0.4
81.03427	4.6
84.08120	0.2
85.02912	5.0
87.00840	4.7
90.95839	0.2
91.03955	0.8
93.03403	0.3
97.02900	2.9
99.04458	1.0
105.01883	2.1
107.11316	0.2
109.02892	2.4
111.00825	0.9
113.53678	0.2
113.54430	0.2
117.01865	1.4
121.02894	0.7
127.03933	4.5
137.02357	2.6
145.04980	1.4
149.02333	0.4
153.01836	3.2
159.01585	0.2
159.02902	4.6
161.05920	0.4
163.03906	0.6
165.01862	1.8
173.06013	0.3
179.03381	0.2
183.02890	0.8
183.04430	0.4
187.03836	0.3
201.05511	1.6
205.05011	0.3
213.03871	0.4
229.04984	4.5
231.05075	2.7
238.94682	0.2
239.83209	0.2
247.06020	0.8
257.04517	2.7
274.04840	1.0
275.05634	0.2
285.04031	1.5
303.05017	100.0
304.05368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05492	0.3
57.03422	0.2
61.02917	1.0
65.03951	0.3
68.99794	0.6
69.03433	12.5
69.30720	2.0
70.06585	2.0
71.04995	0.6
72.08156	0.2
73.02901	0.5
81.03423	5.5
84.08147	0.6
85.02440	0.4
85.02917	5.5
86.09697	0.3
87.00838	3.2
87.04507	0.4
90.80434	0.2
91.03938	0.5
91.05479	0.3
93.03435	0.4
95.04951	0.4
97.02898	7.7
97.03529	0.4
97.06532	0.3
98.21524	0.4
99.04464	1.5
99.05009	0.2
105.01871	1.2
105.07027	0.3
109.02892	3.3
111.00806	1.1
115.30450	0.2
116.07087	1.0
117.01826	0.3
121.02856	0.9
123.04450	0.5
127.03928	6.3
137.02351	2.9
137.05927	0.5
145.04964	0.8
149.02362	0.6
151.03935	0.3
153.01830	3.9
157.06441	0.2
159.02901	1.0
163.03917	0.8
165.01860	2.1
171.02791	0.2
173.05934	0.5
183.02861	0.6
195.02925	0.4
201.05482	1.3
210.38074	0.2
229.04980	4.4
231.05020	4.2
239.03380	0.2
247.05959	0.6
257.04474	2.9
274.04733	0.6
285.04013	1.3
303.05002	100.0
304.05325	0.7
315.05069	0.9
338.10712	0.2
381.05969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01873	3.2
55.05507	12.8
58.06596	4.8
61.02932	2.0
64.53952	1.4
65.03919	1.5
65.37165	1.4
67.05182	2.1
67.05512	24.7
69.03421	7.0
69.07067	8.3
70.06217	1.9
70.06595	38.2
70.43760	1.4
70.85922	1.8
70.86253	3.4
71.04996	3.8
72.08157	46.4
74.06087	1.4
79.05499	16.7
81.03436	7.0
81.07063	25.1
83.04991	5.3
83.08620	5.9
84.08141	3.1
85.02911	8.0
86.09702	3.4
87.00844	3.0
90.09226	1.5
91.05489	8.3
93.07052	29.2
95.04971	2.3
95.08608	22.9
97.02903	3.2
97.06521	4.6
98.06067	1.7
99.04473	2.9
105.01885	2.4
105.07030	4.9
107.04961	5.0
107.08603	22.7
109.02881	3.4
109.06551	4.7
109.10154	16.0
110.07175	4.7
111.04464	2.6
111.08086	2.7
116.07085	4.7
117.07033	4.4
120.08073	1.6
121.02882	3.8
121.06533	3.5
121.10124	8.8
123.08008	1.7
125.05991	2.0
127.03915	4.6
131.04909	2.5
131.08592	4.1
133.10141	2.9
135.08064	2.9
135.11710	6.7
137.05972	2.2
141.10243	3.1
145.04955	1.8
147.11690	3.1
149.09669	2.2
149.13261	33.0
149.14392	2.8
151.03932	1.6
153.01720	2.0
153.05467	2.6
155.08170	2.1
159.11754	5.0
160.07687	1.6
160.11234	1.7
169.09698	2.1
173.07436	1.6
177.05489	2.4
177.12709	9.9
181.09842	2.2
187.12276	3.7
191.07005	2.0
192.06606	3.0
195.13820	3.1
201.07010	2.2
215.11818	5.1
220.06013	2.8
248.20105	25.2
260.13953	1.7
261.12402	3.7
266.21161	59.2
282.20572	2.9
283.20868	2.5
284.22211	65.1
300.21704	4.2
301.22058	1.9
302.23273	100.0
303.04999	31.0
311.14737	1.8
383.72684	1.4
414.25092	2.8
421.25067	1.7
522.31738	1.5
532.27155	3.5
537.96472	1.6
550.29022	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	550.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10131	4.1
53.03954	4.7
55.05510	10.6
57.07081	7.9
59.81636	4.5
67.05512	27.5
69.07059	15.7
69.30225	26.5
69.30654	14.3
79.05492	12.3
81.07075	30.1
85.01680	4.6
91.05467	18.9
93.07043	74.2
95.04977	6.3
95.08607	23.4
97.10189	4.7
105.07042	19.5
107.04945	19.6
107.08115	3.6
107.08615	40.6
109.10143	13.5
111.11766	5.4
116.07073	4.7
119.08587	8.7
129.07071	4.8
131.04982	9.5
131.08562	5.0
133.06476	10.4
135.11707	61.2
137.13167	4.7
140.44038	4.0
145.06493	11.5
145.10103	7.4
157.06483	7.0
171.08110	4.4
183.08031	8.1
315.82657	4.4
349.01175	4.7
401.68307	4.2
403.51538	4.8
406.20795	8.6
419.22534	5.6
420.22620	12.9
435.25473	7.7
436.25638	9.7
448.21970	10.2
462.24060	4.8
515.39124	7.4
522.29608	11.3
550.29053	100.0
550.62518	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	550.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98997	2.6
55.01875	3.2
55.05525	2.9
60.97354	2.3
67.05503	4.0
69.03433	4.2
69.07070	5.0
70.06592	23.2
71.52716	5.3
74.27470	2.5
79.05509	2.7
81.03416	11.6
81.07050	10.2
83.04975	4.8
84.08111	3.6
85.02907	9.1
85.83660	2.3
86.09701	4.3
91.05483	4.5
93.07048	6.6
95.08605	4.4
97.02901	6.1
97.06545	6.4
99.04461	3.5
102.77233	2.7
103.05476	3.2
104.12043	2.5
105.07039	8.3
107.08593	8.1
109.10165	4.1
115.03994	2.8
115.05445	3.2
116.07142	5.8
119.08566	5.7
123.04456	3.2
127.03941	5.0
129.06995	4.3
131.04910	7.7
133.10144	6.5
135.03406	5.9
135.04430	100.0
135.11703	3.0
137.02351	5.1
139.03876	3.3
143.04903	5.3
145.06502	5.9
147.04387	7.8
151.03899	33.7
151.11151	4.4
157.06505	4.9
159.04465	4.5
161.09656	8.1
163.11156	3.2
173.06001	26.0
179.10684	2.9
184.07394	22.6
185.05981	44.6
186.06705	5.3
187.07559	5.8
189.05534	4.2
201.05548	3.7
203.07056	40.8
207.10240	3.3
215.06955	6.1
219.08339	3.5
222.20279	2.9
233.08122	34.5
235.07538	4.3
259.99173	2.5
260.13705	2.9
265.08710	4.2
277.08636	3.7
305.08212	4.0
323.09064	5.3
335.09085	8.0
335.25638	6.5
353.10251	18.8
550.22864	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	549.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	0.3
68.81044	0.3
69.19077	3.6
70.06597	0.6
81.07042	0.3
83.08627	0.3
89.41502	0.3
96.94047	0.3
110.95728	0.3
179.09164	3.0
185.99034	0.3
286.17795	35.9
374.58456	0.4
410.17538	0.3
415.25851	0.4
433.18195	0.4
530.52869	0.3
531.35828	0.9
548.12891	0.3
549.36676	100.0
550.37122	1.0
562.77466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15393	0.2
57.21276	0.2
60.75327	0.2
66.59747	0.2
70.06578	0.5
70.70918	0.3
70.71255	0.4
81.07076	0.2
93.49800	0.2
93.93075	0.2
98.45578	0.2
107.50217	0.2
129.79745	0.2
179.09195	4.0
191.07050	2.3
251.20059	0.3
286.17792	41.1
287.18124	0.4
500.07050	0.3
531.35437	0.5
549.36670	100.0
550.36859	1.0
563.36774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2866
Annotation	Eupenifeldin
Peak:m/z	Relative Intensity
55.05515	1.3
56.65010	0.7
63.64920	0.6
67.05502	1.8
68.40519	0.6
69.07072	1.8
71.26000	1.2
73.18904	0.6
79.05502	0.9
81.07053	2.0
91.05477	0.9
93.07049	1.2
94.06575	1.0
95.08604	2.3
97.10185	0.8
99.97948	0.6
105.07030	0.8
107.08596	1.1
109.10191	0.8
114.98853	0.6
119.08627	0.9
121.10192	1.1
169.75044	0.8
177.93272	0.6
276.26837	3.5
277.27240	1.9
311.29547	1.4
389.17590	0.8
390.18588	1.6
391.19318	1.3
403.19107	0.9
404.19946	2.7
405.20807	12.6
406.21512	1.6
419.22409	11.7
420.23254	2.4
432.19342	1.0
433.20099	3.8
433.24277	3.3
434.24612	5.1
435.25528	14.0
447.21494	13.4
448.26404	0.9
461.23651	3.7
489.26401	0.9
506.26541	1.2
517.25677	1.3
520.24707	2.4
521.29181	11.2
549.28650	100.0
550.28632	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72894	0.3
53.03943	1.0
55.01865	0.8
55.05515	0.8
55.34575	0.3
56.05011	0.3
57.03431	0.7
57.07085	0.5
61.02936	0.5
64.02717	0.3
67.05511	2.1
68.99767	0.3
69.03436	3.6
69.07062	0.8
69.16360	0.5
69.16763	3.1
70.06602	3.3
71.04978	0.6
71.33102	0.3
72.08153	0.3
73.02903	0.8
79.05489	0.8
81.03416	3.1
81.07059	5.4
85.02914	4.5
86.09682	0.3
87.00833	1.9
91.05481	2.6
93.07043	2.4
94.75710	0.3
95.04932	0.4
95.08611	5.0
97.02913	1.5
99.04449	1.3
103.05498	0.5
105.01882	1.5
105.03433	0.5
105.07025	1.3
106.02087	0.3
107.08611	1.2
109.02885	2.3
109.06499	0.5
109.10134	2.2
113.05987	0.5
115.05460	5.4
117.01865	0.4
117.07029	12.9
121.10179	0.5
123.11710	3.7
125.09631	0.6
127.03940	4.2
128.06209	0.3
129.07042	1.9
133.06500	1.9
133.10159	1.3
135.04427	0.5
137.05995	0.5
141.10181	0.4
143.08546	0.5
145.06494	100.0
146.06851	0.6
147.08095	1.5
151.03922	0.6
151.11197	3.2
155.06058	0.5
157.06529	3.2
157.10141	0.6
159.02917	1.4
159.08092	1.1
160.11192	0.4
161.05978	0.6
169.06511	1.5
169.12256	1.1
171.08070	1.3
173.09680	0.4
177.05453	0.8
183.08075	0.6
185.06142	0.6
185.09625	8.1
187.07553	2.3
187.12425	0.4
197.09566	0.3
199.11180	0.5
211.07588	0.6
215.11873	0.9
253.08611	0.5
255.17535	0.3
265.15924	1.0
283.16940	5.1
301.07111	0.8
301.17990	8.3
375.10629	0.6
393.11914	0.4
413.75314	0.8
464.84079	0.3
549.22723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88713	0.6
57.02372	0.5
64.64367	0.6
69.86429	2.6
70.06598	1.3
70.24740	0.5
93.11014	0.6
105.49828	0.5
135.04413	0.7
135.07864	0.5
135.98244	0.6
193.12016	17.8
194.12764	1.3
286.17902	2.5
312.89252	0.6
317.17270	36.2
353.48676	0.5
363.08310	2.5
377.10205	1.2
378.10730	8.8
379.11331	3.0
419.13202	0.7
499.79776	0.6
549.24615	100.0
549.36591	6.8
550.25214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2466
Annotation	CHEBI:69788
Peak:m/z	Relative Intensity
67.05486	0.4
69.62177	2.5
76.19836	0.4
93.07069	0.4
125.05763	0.8
126.06573	0.5
126.75699	0.4
141.17723	0.4
182.95070	0.4
193.12015	11.8
194.12726	0.9
218.58008	0.4
317.17255	37.3
363.08456	2.6
377.10068	1.6
378.10773	8.4
379.11642	3.9
419.13693	0.7
549.24622	100.0
550.25269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51054	0.4
53.00294	0.7
53.03948	0.9
55.01863	1.8
57.03437	0.9
61.02925	1.1
63.02399	0.4
65.03941	3.3
67.05508	0.9
68.99796	1.3
69.03439	5.2
69.07069	0.6
69.72729	2.1
70.06606	4.8
73.02923	0.7
77.03941	0.7
79.05500	2.7
81.03424	16.3
81.07038	1.0
85.02919	9.4
87.00819	0.5
87.04461	0.4
91.05501	3.1
93.03413	1.9
93.07063	1.4
95.01339	1.5
95.04961	1.1
97.02901	3.9
99.04440	0.7
103.05458	0.8
105.03434	0.5
105.07021	1.8
107.04968	3.1
107.08649	0.5
108.05756	1.1
109.02916	2.1
109.06548	0.5
109.10181	0.6
111.04452	1.6
115.05446	2.8
117.07013	1.6
119.04939	2.8
121.02892	1.9
121.06519	1.1
123.04451	1.7
123.08096	0.5
124.05257	0.5
127.03925	3.2
128.06226	1.5
129.07018	5.1
131.04903	2.5
131.08572	0.6
133.06496	0.8
134.06018	2.6
135.04433	35.2
136.05267	5.3
137.05026	0.8
137.05991	2.0
138.06682	0.7
139.03902	1.8
139.07512	2.1
143.04936	4.7
143.08600	0.6
144.05713	0.6
145.04953	0.7
145.06511	3.5
146.07277	1.2
147.04413	3.3
147.08060	0.8
149.02362	100.0
149.09619	0.6
151.03947	6.9
151.07559	57.4
155.04935	0.6
157.06528	5.5
158.07249	1.4
159.04446	1.4
159.08029	2.6
160.08778	0.5
161.06004	3.2
161.09648	4.5
163.03937	2.4
165.05499	9.1
165.06717	0.6
167.07048	1.0
171.04442	1.3
171.08087	0.7
172.08846	6.5
173.06009	7.6
174.06799	1.4
175.03940	2.2
175.07544	2.4
177.04030	0.8
177.05482	5.1
177.09174	1.3
179.07030	0.9
181.05040	1.1
182.05237	0.5
185.06049	1.8
186.06766	0.8
187.07576	4.1
187.12358	0.9
188.08347	4.5
189.05496	7.3
189.07130	0.8
189.09142	4.4
191.07021	1.1
191.10663	0.9
193.04903	0.5
197.98283	0.5
198.06802	0.5
201.05489	35.2
201.09006	2.1
202.06317	0.5
202.09917	0.6
203.07057	12.1
203.10677	15.6
205.08676	2.5
207.06537	1.0
213.05473	1.6
215.11816	1.0
217.08640	7.7
219.06505	9.4
219.08243	0.8
219.10159	1.4
229.08574	1.2
231.06519	12.3
231.08540	0.9
232.08884	1.0
235.07614	0.8
247.07466	0.9
247.09653	5.5
249.07388	2.2
251.06943	0.5
255.06554	1.0
259.07620	0.7
260.08499	0.5
261.09271	0.9
262.09866	1.2
263.07056	0.8
265.10815	0.9
271.09763	0.5
275.07144	0.9
275.10461	0.5
277.08713	0.6
278.09521	0.8
279.10205	0.6
283.06128	0.5
287.06967	0.6
288.07895	0.5
289.08618	1.5
290.09470	1.5
291.10098	1.1
292.07547	0.5
292.10977	1.5
293.08380	0.7
293.11725	1.5
296.10486	1.3
297.07712	1.1
298.08386	3.6
301.07092	12.0
301.15710	0.5
303.06754	0.8
303.10278	1.2
305.08163	1.4
306.08972	1.0
307.09656	1.0
308.10498	3.8
309.11111	1.8
318.08774	1.0
319.09619	3.2
320.10428	4.9
321.07825	0.7
321.11282	2.8
323.12790	3.5
324.10071	1.3
333.11307	4.9
339.12323	13.6
351.08160	1.1
351.12305	15.9
353.13571	0.5
357.13327	3.2
357.28009	0.5
369.13391	32.6
371.14902	1.6
385.12805	0.9
386.13235	1.0
387.14325	11.7
387.22324	0.5
413.74957	1.0
414.25488	0.5
503.06781	0.5
513.33215	0.7
513.77789	0.6
549.22156	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
53.03939	3.7
55.01880	2.7
56.93238	0.7
57.03442	1.8
60.87618	0.7
61.02926	2.2
65.03954	1.3
66.22329	0.8
68.99762	0.8
69.03434	5.9
70.73380	1.7
70.73701	0.9
77.03927	1.3
77.91207	0.7
79.05496	7.3
81.03423	8.4
81.07043	1.6
85.02909	16.3
91.03982	1.0
91.05481	1.3
94.04204	3.5
95.04936	1.2
97.02908	5.6
99.04500	0.8
103.05502	1.7
105.03393	1.6
107.04972	2.3
108.05687	0.7
109.02882	2.1
109.06531	2.1
115.05450	3.3
117.07011	1.2
121.02851	1.4
121.06506	1.8
122.03644	3.2
123.04450	0.8
126.03126	1.1
127.03934	3.7
128.06224	2.7
129.07014	15.8
129.07928	1.4
131.04910	2.3
131.08511	0.9
135.04424	100.0
136.05266	3.6
137.05977	2.8
139.07559	4.8
143.04967	3.9
145.04964	1.6
145.06509	1.5
146.07237	0.9
149.02365	13.2
149.05965	1.7
149.71008	0.8
151.03888	2.7
151.07547	30.2
155.07086	4.0
157.06503	15.9
158.07297	1.2
159.04433	3.2
160.08844	1.1
161.05966	1.8
161.09662	0.8
163.03850	1.9
163.07454	0.7
165.05481	98.7
166.05968	0.9
167.07036	2.5
171.04372	2.2
172.05118	0.8
172.08876	1.4
173.05995	4.9
174.06728	3.8
175.07516	0.9
177.05417	1.1
179.07010	4.4
182.05232	0.9
185.06004	3.6
186.06787	1.3
187.07550	12.5
188.08310	1.8
189.05521	4.5
189.09102	6.6
190.06270	1.3
191.07024	1.0
191.10641	2.2
193.08510	2.2
201.05472	15.0
201.09099	2.6
203.07025	2.1
203.10686	3.2
205.08624	6.8
213.05421	2.0
217.08612	32.2
219.06567	2.0
219.10170	3.4
229.08479	2.4
231.06448	10.5
232.14230	0.8
233.09766	1.3
235.07513	1.2
235.09627	2.3
247.07472	1.7
247.09683	8.8
249.07480	1.7
250.09883	0.9
255.06473	1.6
259.07300	0.8
260.08292	1.2
261.09036	2.0
262.09857	1.7
263.07019	1.1
265.10785	0.9
271.09518	1.1
275.06921	1.2
277.08502	1.3
278.09335	1.7
279.06424	1.0
279.10147	0.8
281.11563	1.2
289.08481	2.5
290.09296	2.0
291.10080	2.0
292.10815	1.7
293.11646	3.3
296.10306	1.9
297.07495	3.7
298.08362	12.6
302.09390	1.6
305.08029	2.2
308.10278	4.9
309.10925	1.9
319.09552	2.7
320.10382	5.5
321.11295	5.3
323.12686	5.2
324.09793	2.7
333.11182	4.7
339.12277	15.2
351.08054	1.4
351.12241	20.2
357.13464	5.2
369.13345	67.8
371.14941	2.3
386.13129	1.1
387.14368	41.1
499.72635	0.8
513.17810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03947	1.7
55.01866	3.6
56.40087	0.8
57.23235	0.8
59.17847	0.7
61.02914	2.0
65.03947	4.3
67.05515	1.3
68.99783	2.2
69.03442	5.8
70.06599	2.4
70.69086	1.4
70.69420	1.8
79.05494	1.1
81.03427	51.6
85.02914	12.7
91.05506	1.3
93.03407	3.0
93.07041	0.9
95.01283	1.1
97.02898	4.0
102.25166	0.9
103.05474	1.1
106.79980	0.9
107.04976	2.3
109.02870	3.0
111.04400	0.9
115.05447	4.9
117.07018	2.4
119.04951	1.6
121.02880	2.7
123.04443	2.9
127.03922	2.2
128.06265	1.1
129.07040	5.6
131.04913	4.6
135.04428	51.2
136.04845	3.1
137.05983	1.3
139.03912	3.3
143.04939	6.2
145.04993	2.0
145.06493	2.8
147.04425	4.0
149.02362	100.0
151.03922	47.7
151.06454	1.5
151.07552	20.6
157.06512	5.5
159.04428	3.5
161.05995	3.4
163.03920	2.0
165.01833	4.6
165.05495	3.9
171.04446	2.2
172.08868	3.0
173.06023	14.1
174.06689	0.8
175.03929	12.7
175.07571	2.9
177.05495	3.4
181.05028	1.4
185.06010	3.2
186.06798	0.9
187.03961	1.3
187.06046	1.3
187.07555	4.8
188.08289	1.7
189.05487	20.3
189.07066	1.7
189.09106	2.4
191.03354	1.1
201.05492	83.4
202.06190	2.3
203.07051	30.3
203.10655	5.3
213.05405	1.3
217.04948	1.4
217.08646	2.0
219.04402	1.9
219.06529	34.8
221.46999	0.9
229.04985	1.8
231.06551	22.2
235.07588	2.1
241.04739	1.0
247.09711	2.0
249.07602	11.3
251.06958	1.1
263.07047	2.5
275.06998	1.4
281.08139	1.0
291.06589	2.0
291.09769	0.9
293.08252	2.2
298.04800	1.1
305.08142	1.1
308.10367	0.9
319.09882	0.9
320.10089	1.2
321.07611	3.6
323.09146	3.8
333.07553	1.3
333.11246	1.8
339.08609	7.2
339.12451	4.7
351.08688	18.2
351.12454	4.9
369.09641	23.2
369.13535	9.1
386.12894	1.6
387.14560	7.4
530.51569	1.0
531.15051	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	549.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33876	0.8
53.03953	2.1
55.01877	2.0
57.03427	2.0
60.80855	0.9
61.02916	1.5
65.03939	3.5
67.05498	1.4
68.99794	2.4
69.03427	5.3
69.58270	5.9
70.06608	6.6
73.02917	0.9
79.05505	1.5
81.03428	67.4
84.70984	0.9
85.02918	12.2
86.09651	1.3
90.70676	0.9
91.05496	3.5
93.03411	4.3
93.07114	0.9
97.02905	4.5
97.06528	1.6
99.04461	1.0
103.05480	1.5
104.11729	0.9
105.07038	1.7
107.08621	1.2
109.02883	2.7
111.04446	2.3
115.05451	5.8
117.07027	2.5
119.04987	1.8
121.02869	2.1
121.10117	1.4
123.04450	4.2
127.03944	2.7
127.08725	1.2
128.06242	1.4
129.07039	7.4
131.04918	4.8
133.02858	1.9
133.06500	1.4
135.04434	48.1
136.04802	3.2
137.02351	1.2
137.05035	1.4
137.06006	4.0
139.03874	5.0
141.59015	1.0
143.04941	7.8
145.05037	1.8
145.06502	4.2
147.04430	3.7
149.02361	82.3
151.03922	64.1
151.07523	4.1
153.05472	2.0
154.05046	1.8
157.06474	4.4
159.04440	4.1
159.08026	1.0
161.05983	3.1
163.03963	2.1
165.01863	6.8
165.05515	2.5
167.07031	2.3
171.04427	2.5
173.06032	10.9
175.03934	18.2
175.07579	2.3
175.83638	1.0
177.05519	1.6
181.05003	2.5
185.06030	2.1
187.03986	2.0
187.07568	6.0
189.05504	22.5
189.09140	2.2
191.03389	1.2
191.07104	1.3
201.05492	100.0
201.09204	2.8
202.06235	3.1
202.09798	1.0
203.07054	32.0
213.05562	1.5
215.11971	1.4
217.04990	2.0
219.06540	40.1
219.09982	1.8
229.04993	1.7
231.06534	22.8
231.10016	1.1
233.08218	1.1
235.07585	2.6
236.62164	1.0
241.08685	0.9
249.07585	11.9
263.07040	3.5
265.08685	1.6
275.06906	1.2
279.06497	1.2
281.08337	1.3
291.06345	2.0
293.08023	2.5
295.09836	1.2
296.39389	0.9
298.04837	1.6
304.63031	1.0
307.09534	1.3
309.07590	1.0
311.09161	1.1
321.07565	3.3
323.09152	4.4
333.07489	1.1
339.08688	9.2
339.12247	2.0
351.08624	20.5
351.12616	2.1
353.10135	1.8
369.09656	29.6
369.13071	2.0
379.84418	1.1
385.12753	3.4
386.13321	2.4
387.10275	3.4
387.13809	4.4
528.10687	1.2
531.15002	4.8
538.98743	1.1
549.21539	1.7
574.84961	1.2
579.11011	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1245
Annotation	Pratensein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.10555	0.2
53.03948	1.7
55.01886	1.3
55.02091	0.3
55.05520	0.3
56.20307	0.3
57.03421	0.8
58.06590	0.7
58.59450	0.2
61.02918	0.9
65.03912	0.3
66.65793	0.3
67.05499	0.5
68.99780	1.1
69.03435	5.9
69.72496	0.2
70.06240	0.4
70.06593	3.7
71.04453	0.5
71.04987	0.9
71.81535	0.3
72.08157	0.8
73.02910	1.2
79.05476	0.9
81.03425	7.9
81.07055	0.8
85.02911	9.5
86.09718	0.4
87.00837	4.4
87.04439	0.4
89.03877	0.3
91.03955	0.3
91.05457	1.1
93.03400	0.3
93.07040	1.0
95.04965	0.5
95.08598	0.9
97.02900	3.8
99.04443	1.9
102.97746	0.3
103.05480	0.3
105.01880	2.4
105.07006	1.0
107.04968	0.6
107.08585	0.7
109.02891	5.0
109.06458	0.3
109.10139	0.6
110.07204	0.3
111.04452	0.5
115.05444	0.7
117.01824	0.8
117.07010	0.8
119.04942	0.6
121.06516	0.7
121.10149	0.7
123.04482	0.4
123.11722	0.4
127.03930	7.6
128.05264	0.3
129.01830	0.7
129.07013	0.6
131.04904	0.4
133.06502	0.4
133.10161	0.5
134.06006	0.8
135.04417	4.8
136.04779	0.9
137.02330	0.8
137.05957	0.9
139.03905	2.3
145.02820	0.4
145.04982	2.3
145.06482	3.6
145.10115	0.4
145.43262	0.3
147.02934	0.3
147.04414	1.0
147.08029	0.4
147.09125	0.3
149.02376	1.8
149.05943	0.5
149.09633	0.8
151.03947	1.9
151.07526	0.6
153.01802	2.6
159.02934	3.3
161.05975	0.9
163.03911	0.8
165.01823	1.4
165.05505	0.5
167.07072	1.1
173.06075	0.5
175.03893	1.1
177.05486	1.3
181.04924	0.9
183.02917	0.6
185.09546	0.4
187.12434	0.5
189.05499	0.5
201.05458	2.5
203.07014	0.8
207.06528	1.4
213.05498	0.4
215.11826	0.7
219.06508	0.9
229.04993	0.9
230.05750	2.5
231.04822	0.6
231.06772	0.5
241.04951	0.4
245.08224	0.6
249.07706	0.5
255.06627	0.4
257.04544	0.4
258.05283	4.8
260.13940	0.6
269.04391	0.7
272.06754	0.6
286.04712	3.4
301.07077	100.0
302.07306	0.6
317.06610	0.5
351.08551	0.5
369.09671	0.6
382.21371	0.3
385.12570	0.5
386.13440	0.5
387.13611	1.6
399.07031	0.5
411.07089	0.3
413.75299	0.3
429.08209	0.7
453.08087	0.5
549.22595	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70591	0.3
55.01865	0.4
55.05504	0.4
57.03433	0.7
57.07084	27.9
65.03947	0.4
67.05512	0.9
68.99798	0.7
69.03447	1.8
70.06606	2.1
70.86329	0.7
70.86687	0.4
71.05009	0.4
72.75130	0.3
79.05496	0.7
81.03419	1.7
81.07053	0.9
84.08165	0.4
85.02923	4.2
85.06561	4.9
91.05469	0.7
93.07027	0.7
95.04990	0.8
95.08637	0.5
97.02891	1.9
97.06516	1.2
99.04491	0.6
103.07588	0.6
105.07015	0.5
107.04958	0.7
107.08607	0.6
109.02859	1.7
109.10148	0.6
111.00820	0.8
114.30238	0.4
115.03928	0.4
117.07068	0.3
119.08549	0.4
121.02887	4.5
123.04469	0.5
127.03948	2.9
130.51596	0.4
131.04929	0.6
133.02855	0.3
135.04445	2.9
136.04735	0.6
137.02383	3.4
137.05948	1.9
139.03969	0.5
145.04958	1.9
145.06450	0.5
149.02367	0.8
149.13280	0.4
151.03935	2.1
151.07561	1.3
153.01842	4.1
161.06036	0.7
163.03900	2.1
165.01897	2.7
165.05499	1.0
167.07034	0.3
173.06062	0.5
173.07414	0.5
181.05005	0.5
183.02930	0.5
187.07538	0.5
189.05473	1.0
189.09068	0.7
191.03442	0.5
195.02910	0.4
201.05489	3.2
201.09187	0.9
203.10728	0.4
205.08664	0.7
207.02881	0.4
207.06514	0.4
219.06578	1.4
219.10283	0.6
229.05000	5.1
229.10748	4.5
231.10220	0.5
245.08115	0.5
247.06079	0.8
247.11792	4.2
257.04489	2.7
259.09769	0.4
274.04675	0.5
275.09222	0.9
285.04022	1.4
288.23355	0.3
295.05908	0.5
299.09283	0.6
303.05026	100.0
321.11295	0.3
339.12244	0.6
345.06256	0.4
349.06711	0.3
350.66681	0.4
351.12363	0.5
369.09766	0.7
369.13586	0.9
377.12244	1.0
386.13089	0.5
387.13785	1.2
411.14197	0.5
420.75549	0.5
487.16275	0.6
495.16608	0.5
513.17297	0.6
549.21149	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69286	0.6
53.03947	2.9
53.51458	0.5
55.01858	1.4
55.05520	4.4
57.03179	0.9
57.03433	6.6
58.06588	0.7
64.53052	0.6
65.03938	0.6
67.05190	0.9
67.05512	12.1
69.03436	7.2
69.07080	4.5
70.06572	1.7
70.19425	1.6
70.19832	1.1
71.04989	3.1
72.08163	20.5
73.02905	0.7
73.31349	0.6
74.34751	0.6
79.05499	20.3
81.03421	7.2
81.07065	14.5
83.04987	8.1
83.08598	0.7
85.02924	7.0
85.06557	1.3
87.00808	2.2
91.05489	20.9
93.06491	0.8
93.07054	14.0
95.04980	6.2
95.08617	6.7
97.02879	2.1
97.05939	1.4
97.06544	26.0
99.04469	1.4
99.08096	2.2
105.01856	1.4
105.04501	0.7
105.07041	17.3
107.04964	9.9
107.08601	17.2
109.02848	2.5
109.06504	2.5
109.10133	1.9
111.08052	1.4
115.05447	0.6
117.05749	0.6
117.07038	7.1
119.04942	1.3
119.08587	9.7
121.06473	2.1
121.10151	2.0
123.08051	0.8
124.26647	0.6
127.03946	3.8
129.07011	5.1
131.08585	7.4
133.06509	9.1
133.10144	9.3
135.08080	3.6
137.09639	7.5
139.09933	1.3
142.07774	1.7
145.10107	1.2
147.08044	2.5
147.11685	17.5
149.09628	0.7
149.13219	1.2
151.11208	3.1
152.10693	1.0
157.10155	3.8
159.82794	0.6
173.09735	0.7
175.11201	6.6
193.12244	4.4
244.08147	0.6
246.18546	6.4
264.19617	27.4
282.20663	83.4
293.13422	0.6
300.21719	100.0
468.25928	1.4
511.40619	0.7
530.25964	5.0
535.08643	0.6
552.50079	0.7
557.63763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	4.9
57.03435	3.9
57.07069	2.3
63.20262	0.9
67.05517	4.7
68.71688	1.0
69.07082	7.6
71.08637	2.0
71.53627	0.9
72.08161	1.9
74.09733	1.5
79.05499	3.1
81.07072	10.4
83.08611	3.3
86.09724	4.4
91.05479	2.5
93.07049	6.3
95.08624	7.3
97.06546	2.1
97.10161	1.1
98.98440	2.2
99.08086	1.1
104.10759	1.3
105.07027	3.0
107.08600	10.0
109.06508	3.2
109.10192	5.2
111.08060	2.2
119.08562	3.3
121.10172	6.7
123.08079	11.0
123.11749	2.0
125.00052	2.5
133.10152	2.0
135.11713	3.2
138.04445	1.1
138.14116	0.8
144.21045	1.0
145.10081	2.0
149.13280	1.7
163.14825	1.5
167.14336	1.9
177.16394	3.7
179.14326	13.5
184.07356	11.4
197.02727	0.9
206.24223	0.9
277.21683	4.1
277.25159	1.1
291.23300	1.1
333.27875	15.4
351.29092	6.2
389.30432	1.4
407.31601	100.0
453.74164	1.0
505.29050	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84689	3.0
53.03937	8.0
53.69806	2.5
55.01864	4.2
55.05497	12.9
57.03427	5.8
57.07064	4.6
65.03940	6.0
67.05511	48.0
69.03440	25.2
69.07068	15.7
71.04978	4.8
71.52667	3.5
74.09726	7.4
79.05501	37.5
81.03417	35.8
81.07065	59.4
83.04978	7.9
83.08611	8.4
85.02911	18.9
91.05491	100.0
93.07045	49.2
93.54774	3.1
95.04987	5.5
95.08626	41.9
97.02895	13.9
97.06556	7.3
97.10186	4.6
99.04423	6.8
105.07030	26.5
107.04954	4.7
107.08601	24.1
108.04489	3.6
109.02876	9.8
109.06512	5.8
109.10164	17.9
109.51357	3.2
111.04422	5.0
117.07019	20.5
119.08572	25.9
121.06536	5.2
121.10139	19.5
123.11711	6.8
127.03896	7.4
128.06203	3.6
129.06985	10.8
131.08553	21.1
133.10117	19.9
135.08058	6.9
135.11699	12.2
136.41367	3.1
137.09590	4.6
141.06978	6.4
143.08507	14.4
145.10155	18.3
147.08125	4.8
147.11682	12.7
149.13303	5.8
155.08551	7.2
157.10098	11.7
159.11710	14.7
161.13275	8.7
163.14873	3.8
165.07011	3.9
167.08569	6.2
169.10115	5.1
171.08080	2.9
171.11688	10.0
173.13255	11.8
175.11183	3.9
175.14815	3.8
177.09132	3.1
183.11710	4.9
185.13260	8.2
187.14639	3.8
192.09395	3.2
195.11674	4.6
197.13188	6.0
199.14836	3.6
211.14978	4.1
259.20718	3.2
261.22089	10.1
291.23303	3.9
295.15283	4.2
303.23135	9.2
327.23035	3.1
341.24847	4.4
351.23172	6.8
369.24191	19.1
387.25311	20.1
405.26434	19.7
423.27490	5.5
438.32224	3.6
530.38751	3.7
548.39600	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	548.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.2
55.01887	1.4
55.05519	4.9
57.03438	7.3
58.06615	1.3
61.02943	0.7
61.50530	0.7
63.19701	0.7
63.79230	0.7
65.03971	0.9
66.27428	0.7
67.05171	1.4
67.05508	10.8
69.03431	7.0
69.07071	4.1
69.77886	4.0
70.06615	1.9
71.05005	2.8
72.08162	20.5
72.08540	1.5
73.06586	0.7
79.05502	21.0
81.03432	6.3
81.07064	14.1
83.04989	7.1
85.02911	7.4
85.06564	1.8
87.00860	2.6
91.05490	21.6
93.07043	13.0
93.07557	1.0
95.04972	6.8
95.08625	5.1
97.02921	2.9
97.06541	24.2
97.07151	1.3
98.21412	1.3
99.04488	1.5
99.08118	2.1
103.47248	0.7
105.01896	1.3
105.07038	17.9
105.07685	1.1
106.10645	0.7
107.04967	10.3
107.08605	15.2
109.02913	1.8
109.06546	3.0
109.10192	2.7
111.08112	1.0
115.05445	1.3
117.07032	6.9
119.04975	2.5
119.08592	9.8
121.06536	2.3
121.10167	1.9
123.08109	1.3
127.03914	3.4
129.07034	5.2
130.08705	0.8
131.08580	6.8
133.06494	10.8
133.10156	9.3
135.08061	4.0
137.06010	1.2
137.09627	8.0
139.10005	0.8
139.91193	0.7
142.07881	0.8
145.05067	0.8
145.10193	1.0
147.04410	4.4
147.08121	2.9
147.11699	15.5
149.09657	1.2
149.13220	1.2
151.03973	1.4
151.11179	3.8
157.10129	3.4
159.02913	1.3
165.12793	0.7
167.07037	0.7
175.11153	6.1
193.12247	4.9
235.85887	0.7
246.18544	4.9
264.19601	22.2
282.20663	93.4
300.21707	100.0
301.22021	0.8
301.42599	0.7
387.26135	0.8
468.26221	1.8
486.27164	1.1
530.25928	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	547.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71827	0.5
53.03950	1.2
53.23359	0.5
55.05519	13.9
56.05034	0.9
57.05825	2.1
57.07092	0.6
58.06583	0.8
60.04515	0.6
67.05502	3.0
69.03450	0.7
69.07079	4.9
69.18339	0.9
69.18736	4.5
70.06593	3.0
72.04526	0.8
72.08163	100.0
77.03939	0.5
79.05518	1.4
81.07098	0.6
82.06610	0.8
83.05011	0.8
84.08151	16.7
85.02883	0.5
85.04060	0.6
85.08939	1.3
86.09715	53.2
91.05495	1.5
95.04976	3.4
97.06545	3.6
99.09247	1.5
105.07038	0.7
107.04996	0.8
112.07603	3.4
115.05484	0.8
117.07037	0.9
119.04963	2.5
121.02757	0.5
123.04501	0.7
124.07561	0.9
125.06029	0.6
127.08713	2.9
127.53454	0.4
128.10730	32.0
129.07030	0.9
131.04973	0.8
131.08556	0.5
132.05583	0.4
132.08112	1.2
133.10152	0.7
135.04431	45.1
136.07582	3.8
138.12819	1.9
141.10327	0.6
143.04993	0.8
145.06497	0.8
146.06059	1.1
146.91357	0.5
147.04436	2.2
149.02379	2.7
151.07481	0.9
156.10255	5.9
157.06558	0.7
157.10114	0.6
159.06779	0.6
160.07524	2.3
161.06056	1.1
161.09685	1.5
165.05495	3.0
166.12282	3.6
167.07057	3.1
171.04442	1.2
171.08170	0.5
173.06009	1.2
173.09702	0.7
174.12852	1.2
175.07610	0.6
177.09119	0.8
180.13885	0.7
181.04973	10.3
182.08121	5.9
183.14964	4.7
185.09665	2.0
187.11147	0.7
189.05588	1.0
189.09123	18.8
190.12230	0.7
194.11826	0.9
197.09586	0.5
201.05560	0.7
202.12296	26.2
205.08664	1.1
207.10132	0.7
208.13322	0.9
211.14462	9.1
213.09142	2.2
217.08673	0.6
219.14996	1.1
220.13440	0.8
225.16086	1.7
230.11842	1.9
231.10199	19.3
235.09583	1.1
239.17531	0.9
248.12852	29.2
258.11481	1.0
265.15503	11.6
267.17059	25.7
275.13934	2.3
276.12372	1.4
281.14981	12.7
293.12039	0.8
293.15009	3.4
301.19089	0.6
303.13776	0.6
311.12851	1.1
327.15759	0.8
329.18649	0.7
338.24408	3.4
347.19684	13.5
355.11740	2.3
355.15561	3.4
364.22354	5.3
366.23877	5.8
374.20782	2.0
375.19177	3.2
385.12848	39.6
386.13193	0.6
392.21826	44.9
393.22452	0.7
420.21298	1.8
448.24350	3.5
448.93018	0.6
468.28824	0.7
488.28030	0.6
519.31659	1.5
529.30237	0.8
547.31323	30.7
562.63153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
53.03940	5.2
55.01880	6.9
55.05519	38.6
57.03445	16.1
57.07084	7.8
59.05008	1.6
62.71705	0.9
65.03935	2.4
67.05511	78.4
68.05850	2.0
69.03437	3.2
69.07077	33.8
69.19120	11.0
71.05002	4.1
71.08631	3.8
72.04520	9.3
73.21163	1.0
76.20910	0.9
77.03936	1.2
79.05501	38.3
81.03426	59.3
81.07064	80.7
81.46037	0.9
83.05002	7.5
83.08627	35.0
85.02925	2.3
85.06539	2.8
85.10184	1.5
90.18620	1.0
91.04920	1.6
91.05489	37.5
93.07054	42.0
94.07410	1.0
95.04978	35.6
95.08615	61.8
96.08946	1.6
97.02911	3.2
97.06533	8.9
97.10181	23.3
98.21514	2.5
99.08108	3.1
105.04527	1.7
105.07042	30.8
107.04983	11.0
107.08607	26.6
109.06527	6.3
109.10162	27.5
111.04445	1.4
111.08081	7.7
111.11737	2.1
113.09641	1.4
114.91592	1.0
115.05463	2.1
117.07020	8.2
119.04948	1.8
119.08591	24.6
121.06520	9.3
121.10157	20.0
123.04451	1.1
123.08075	4.2
123.11726	10.6
125.09634	12.0
128.06242	1.6
129.07028	9.2
131.08600	15.3
133.06517	3.4
133.10138	17.4
135.08058	4.8
135.11699	10.0
136.99522	1.0
137.09663	2.7
137.13266	3.7
139.11258	1.1
141.06978	1.5
141.12779	0.9
142.07825	2.8
143.08592	4.5
145.10156	11.0
147.08037	5.3
147.11699	13.0
149.09654	5.6
149.13284	5.3
151.11122	1.5
151.14839	2.0
155.08580	1.8
157.10143	11.0
159.11684	7.2
161.09695	1.3
161.13313	7.4
163.11201	6.9
163.14865	4.0
164.11554	1.6
165.12790	2.4
169.10110	1.9
169.34431	1.1
171.10326	1.3
171.11732	3.8
173.13295	3.2
175.11180	8.0
175.14839	4.8
177.12796	3.7
177.16373	1.2
183.11742	1.3
185.09726	1.0
185.13283	2.6
187.11266	1.4
187.13277	1.3
187.14920	2.6
189.11266	6.2
189.12709	1.2
189.16409	2.4
191.17903	1.2
193.12277	23.8
201.16383	1.9
203.17990	2.4
205.12251	2.9
211.13210	6.0
213.16611	1.2
219.13940	1.8
219.17590	1.1
223.13297	1.3
227.12804	13.5
228.13211	2.1
233.15410	1.5
234.14963	1.2
235.15240	1.3
241.17979	2.8
243.21103	1.3
245.22630	5.5
247.17041	1.7
249.14912	3.4
261.22379	1.7
263.23718	10.6
267.15936	62.1
269.22934	1.4
275.20282	2.7
285.25824	1.8
287.23730	2.0
289.21634	3.3
301.25266	1.2
303.23187	2.4
303.26901	10.7
317.24683	1.6
329.21289	1.1
329.24902	1.6
337.27414	55.6
340.18729	1.2
361.27438	1.9
363.25458	2.7
397.25778	2.3
403.24966	1.3
417.26022	1.1
419.33173	1.8
421.26016	4.2
427.35809	1.4
435.27609	2.7
437.34296	7.8
455.35229	21.0
473.36438	13.3
503.37234	1.6
511.37589	2.3
529.38940	85.2
530.38971	1.4
547.39948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2097
Annotation	Sinensol H
Peak:m/z	Relative Intensity
50.44308	3.9
57.38760	3.8
67.05518	8.5
68.15124	4.7
68.28906	4.3
69.07076	5.6
71.52756	6.1
81.07053	4.5
93.07067	4.5
105.07027	4.4
107.08620	4.4
118.61552	4.4
121.10232	5.5
123.08147	5.6
135.77773	5.1
138.93781	4.5
179.14334	7.8
246.66934	4.5
350.27567	4.4
394.08231	8.4
405.30145	15.2
406.30283	55.1
433.93518	4.3
504.28311	4.7
515.20758	6.2
547.21045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2306
Annotation	Vittarin E
Peak:m/z	Relative Intensity
58.23284	0.7
60.82938	0.8
63.83274	0.9
69.69392	1.6
69.69808	3.0
73.23566	0.8
74.18225	0.7
77.38921	0.8
79.05481	1.1
81.03339	0.8
81.07068	1.1
88.13898	0.8
105.92081	0.7
107.01110	0.9
109.02656	1.9
119.08658	1.1
123.04206	2.5
149.09747	0.8
151.07545	1.0
191.10451	12.2
192.11160	1.4
215.10344	0.9
243.10027	3.4
306.65689	0.9
315.15674	39.3
363.08337	3.1
377.10040	1.6
378.10773	13.2
379.11688	3.1
394.04642	0.8
406.30536	1.7
419.14041	0.8
447.18027	3.4
475.17316	2.5
547.23059	100.0
548.23181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.4
53.03945	0.8
55.01874	0.6
58.06601	1.2
59.05003	0.3
61.38545	0.3
65.03932	0.5
67.05499	0.5
69.03439	1.0
70.06586	0.9
72.08135	0.3
77.03942	0.7
79.05505	2.7
81.03420	1.9
81.07047	1.0
84.08173	0.4
84.74647	0.3
85.02908	1.3
85.81005	0.3
86.09694	0.4
88.03928	0.3
91.05492	4.3
93.07055	0.7
95.04971	1.0
95.08611	0.4
97.02886	0.8
99.04444	0.7
103.05475	1.0
105.03394	1.0
105.04510	0.5
105.07049	0.5
106.43409	0.3
107.04960	0.5
107.08610	0.5
109.02883	0.9
109.10196	0.4
110.03651	0.8
115.05469	0.9
116.07056	0.3
117.07022	1.1
119.04946	5.9
119.08592	0.6
121.02888	0.4
121.06528	0.5
121.10162	0.3
122.11147	0.3
123.04449	1.0
123.08040	0.3
125.02399	0.3
125.05988	2.5
127.03926	0.6
129.07022	1.3
131.04971	2.4
131.08588	0.3
132.05309	0.6
133.02908	0.6
133.06519	0.4
133.10178	0.3
135.04430	100.0
137.05994	0.6
139.07578	0.7
143.04982	0.7
145.02885	0.4
145.06509	1.6
145.82605	0.3
147.04427	5.6
147.05537	0.5
147.08067	0.6
149.02359	4.9
149.05984	0.4
149.09633	0.4
151.03926	2.4
151.07564	0.9
152.04626	0.3
153.05501	1.2
157.04037	0.4
157.06514	1.3
159.04373	0.3
159.08075	0.6
160.07620	0.7
161.06012	1.1
163.03963	0.5
165.05524	0.5
167.07068	6.5
167.08444	0.6
173.06033	1.8
174.06822	0.7
175.03931	8.9
175.07603	0.8
177.05486	0.9
177.09155	0.5
179.03413	2.5
179.07088	0.6
181.04974	23.0
183.06638	0.4
187.07570	1.0
189.05434	0.5
190.06282	0.6
191.07077	0.6
193.05074	0.8
194.98215	0.3
201.05493	1.4
203.07057	1.1
205.04935	0.3
205.08620	1.9
207.06554	22.0
207.09926	0.7
233.08195	0.5
235.09668	2.7
254.10269	1.7
255.10535	1.5
287.05579	0.4
293.08121	0.4
306.08966	0.4
327.03195	0.3
337.10632	0.5
351.10904	1.5
355.11816	5.7
367.11749	0.5
369.11920	0.8
385.12854	87.3
386.13223	1.0
547.19855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1815
Annotation	Pedunculosumoside D
Peak:m/z	Relative Intensity
51.02374	0.3
53.03940	0.5
55.01863	0.3
63.30230	0.2
65.03913	0.2
69.03429	0.2
69.69170	1.1
71.11858	0.2
74.20486	0.2
77.03946	0.7
79.05496	1.9
81.03413	0.3
85.02932	0.3
91.05487	0.3
95.01360	0.2
95.04965	0.6
97.02821	0.2
105.03431	0.9
105.04535	0.2
105.16985	0.2
107.05008	0.2
110.03677	0.5
115.05489	0.6
117.07021	0.7
123.04399	0.2
123.77383	0.2
125.02362	0.3
125.06006	2.1
128.06328	0.3
129.07025	0.7
131.04922	0.3
135.04422	100.0
135.88020	0.2
136.04791	0.2
137.02359	0.2
139.07565	0.8
143.04893	0.3
145.06505	0.8
146.07265	0.2
147.08070	0.6
149.02341	5.0
149.03511	0.3
151.03923	0.3
151.07530	0.7
152.04677	0.2
153.05487	1.0
155.07037	0.3
157.06477	0.9
159.04362	0.2
160.05219	0.2
161.05948	0.6
165.05519	0.2
167.07045	5.4
173.06010	1.7
174.06799	1.0
175.07578	0.7
176.08304	0.5
177.09172	0.3
179.06987	0.3
179.10640	0.4
181.04964	23.9
187.07581	0.6
189.09132	0.2
190.06282	0.6
191.07054	0.5
193.04936	0.5
201.05476	1.1
202.06229	0.2
203.06993	0.9
205.08600	1.7
207.06532	0.6
207.10211	0.6
220.07254	0.3
233.08136	0.6
235.09683	2.7
306.08826	0.2
323.09341	0.3
327.12076	0.2
355.11749	5.1
364.52225	0.2
367.11899	0.3
385.12823	83.3
386.13071	0.7
401.57541	0.2
511.17502	0.2
547.17542	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35686	0.8
52.12340	0.8
53.03956	1.7
55.05519	1.9
57.03440	0.9
66.66347	0.8
67.05515	7.3
69.03455	0.8
69.07062	2.3
70.42850	2.2
79.05502	11.0
81.03436	0.9
81.07067	43.4
82.07371	1.1
83.08624	1.8
85.06551	1.2
91.05504	5.7
93.07055	6.0
95.08621	6.3
97.06560	1.2
97.10202	1.1
99.08118	1.2
104.10709	1.0
105.07043	8.0
107.08619	8.1
109.06537	21.9
109.10158	6.1
111.08105	1.4
117.07027	2.4
119.08601	10.7
121.06473	1.4
121.10128	5.8
122.10532	0.8
123.08087	3.1
123.11717	3.6
125.09689	1.6
129.07010	1.0
131.08575	5.3
133.10156	7.9
135.08086	6.6
135.11719	3.3
137.09618	2.0
142.07819	1.4
143.08568	2.8
145.10150	5.9
147.07993	1.0
147.11699	6.8
149.09634	2.9
149.13307	2.3
155.08553	1.2
157.10158	6.1
159.11678	6.8
161.09628	1.3
161.13286	3.8
163.11237	3.1
169.10120	1.2
171.11728	4.2
171.56766	0.9
173.13266	5.2
175.11229	2.4
175.14778	1.9
177.12715	1.3
179.10689	1.9
183.11702	2.4
185.13312	3.1
187.14816	3.1
189.12756	2.2
197.13301	2.7
199.14871	3.6
201.12752	1.8
201.16426	1.7
203.14294	2.4
209.13182	2.0
211.14845	1.3
213.16446	2.8
215.14316	2.0
217.15851	1.2
221.13379	1.4
223.14745	1.3
224.93040	0.8
225.16446	1.9
227.14339	2.4
227.17998	1.8
229.19637	1.7
231.17470	1.1
232.10933	0.8
237.16275	0.9
243.17395	1.7
245.19101	3.2
249.16148	1.0
253.19621	0.8
259.20676	1.1
259.26239	0.8
261.22223	0.8
268.16254	1.0
271.20605	3.0
271.77225	0.7
289.21683	5.0
309.22067	2.1
311.23795	2.0
327.23273	2.5
329.24597	1.8
335.23187	0.9
337.25366	1.1
351.26959	4.5
353.24548	1.2
361.25241	1.6
369.27924	3.6
379.26349	12.0
397.27426	100.0
414.30194	0.9
440.01550	0.8
451.31808	2.4
469.33228	3.4
528.37634	2.3
546.38556	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	547.182
Annotation	Pedunculosumoside D
Peak:m/z	Relative Intensity
53.03944	2.3
55.01862	2.7
57.03432	2.1
58.06589	1.4
61.02924	3.9
65.03935	2.1
65.24419	0.7
67.05495	2.5
68.99787	1.1
69.03083	1.1
69.03438	12.8
69.66994	1.4
69.67406	3.0
70.06581	1.9
71.04978	1.9
72.08170	0.8
73.02907	2.6
77.03915	0.7
79.05511	3.5
81.03428	9.5
81.07071	1.8
84.08141	0.9
85.02915	21.8
87.04479	3.3
91.03944	2.0
91.05498	2.4
93.03407	2.4
93.07030	2.2
94.04192	0.7
95.04947	1.5
97.02910	9.4
97.06540	0.7
99.04450	2.7
103.04008	1.0
103.05496	0.8
105.03372	1.6
105.04569	1.1
105.07050	1.9
107.04922	1.7
107.08599	1.1
109.02892	4.8
109.06545	1.5
111.04409	0.9
115.05457	0.8
115.46695	0.6
116.07114	1.1
117.06983	1.1
119.04926	2.2
119.08611	1.2
121.02877	2.0
121.06539	0.9
121.10224	1.2
122.03697	1.9
123.04427	1.8
123.08067	0.7
125.06028	1.1
127.03973	5.5
127.85061	0.7
131.04932	1.8
131.08551	1.5
133.02843	0.8
133.06494	1.1
134.04562	0.9
135.04433	49.5
136.05258	1.0
137.02435	0.7
137.05971	2.6
141.05473	0.7
143.04846	1.0
145.02855	0.9
145.04997	1.5
145.06480	1.9
147.04471	3.9
149.02370	2.7
149.09618	0.8
151.03922	100.0
151.07532	11.8
153.05513	0.9
155.07051	1.9
157.06554	1.0
158.07329	2.2
159.04446	2.5
159.07983	1.7
160.08875	1.2
161.05984	1.6
163.03947	1.9
163.07623	1.1
165.01907	4.8
165.05495	59.6
167.07071	4.5
173.05968	3.0
174.06790	2.4
175.03931	17.6
175.07494	1.9
177.05507	1.1
177.09209	2.0
179.06935	0.8
181.03407	1.2
181.04985	14.9
183.04465	1.3
187.07469	0.8
189.05522	4.0
189.09142	10.4
190.06285	1.3
191.10728	1.9
195.06387	0.9
201.05521	5.0
201.09094	1.0
203.07004	1.3
205.08626	2.0
207.06555	2.3
217.05237	1.5
217.08609	21.4
218.09436	1.4
219.10182	14.9
229.08679	1.8
235.07567	0.8
235.09694	1.8
247.09673	5.7
283.09570	0.7
306.08960	1.0
307.09610	1.0
309.11584	0.9
322.08514	0.8
324.09811	0.9
327.12335	1.1
337.10678	1.7
339.12250	1.5
340.09448	2.1
351.12408	1.0
355.07498	1.6
355.11810	27.0
356.72089	0.9
367.11829	12.0
367.28391	1.1
385.12857	53.7
475.15988	0.7
517.17242	1.2
547.18134	68.1
547.34656	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	546.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01873	1.1
55.05515	5.2
57.03445	3.3
57.07074	1.8
62.06080	0.7
65.03934	0.5
67.05515	6.5
69.03445	0.6
69.07077	5.8
70.02621	1.5
71.04996	1.6
71.08640	4.5
73.29316	0.4
79.05132	0.5
79.05502	5.1
80.05836	0.5
81.03432	0.5
81.07063	11.1
83.04975	1.1
83.08621	3.5
85.06503	1.1
85.07079	0.3
91.05498	4.1
93.07050	6.6
94.07400	0.4
95.04961	1.4
95.08616	9.0
97.06545	2.5
97.10158	1.4
98.06048	0.4
98.20836	0.5
98.98475	3.9
99.08101	2.3
105.07034	7.6
107.08607	7.5
109.06522	6.7
109.10161	3.9
111.08085	1.3
117.00439	0.4
117.07031	1.0
119.08588	7.8
121.06518	0.7
121.10159	5.1
123.08079	13.7
123.08962	0.8
123.11744	1.1
125.09650	1.7
129.06998	0.4
131.08560	3.2
133.10147	7.8
135.08063	7.5
135.11711	2.0
137.09630	1.8
137.13284	0.6
139.11316	0.4
143.08600	0.8
145.10136	2.7
147.11703	5.1
149.09656	2.0
149.13257	2.6
151.11241	0.6
151.14795	0.5
155.01003	0.5
157.10071	0.6
159.11685	2.7
161.09656	1.1
161.13292	1.6
163.11201	0.8
163.14819	0.5
165.12778	1.0
167.14308	1.1
169.10207	0.5
171.11742	0.5
173.09666	0.6
173.13271	1.2
175.11235	0.4
175.14809	5.9
177.12746	3.2
177.16307	0.9
179.14326	21.3
183.11707	0.4
185.13278	0.6
187.14854	0.8
189.16521	0.5
190.09410	0.4
191.14342	0.4
193.12199	0.6
193.15932	1.1
203.14415	0.6
205.15886	3.3
216.06404	1.6
219.17354	0.4
221.15370	0.5
226.15738	0.4
227.17932	0.4
231.15755	0.8
233.19052	0.6
247.20567	0.5
259.41772	0.4
261.22263	0.5
263.20178	1.5
271.20541	0.6
275.20117	0.8
281.21375	0.4
289.21640	5.2
289.25098	1.1
293.21262	2.3
303.26901	1.6
319.22668	1.5
331.26303	11.4
337.23761	1.1
347.25894	0.9
349.27377	5.5
357.27695	0.5
361.27328	1.3
369.27869	1.1
374.30447	1.8
375.28976	1.9
387.28976	5.9
392.51038	0.4
395.55557	0.3
405.30017	100.0
406.30252	0.8
485.26611	1.3
503.27756	5.9
528.30566	0.7
528.37781	1.3
546.31464	2.2
546.39160	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	546.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.0
57.03445	3.3
57.07071	1.7
62.06070	0.6
65.03922	0.7
65.41266	0.6
65.41618	0.5
67.05508	6.1
69.07072	6.4
70.06564	0.8
71.03044	1.4
71.04984	1.2
71.08636	3.0
79.05495	5.4
81.03414	0.9
81.07060	10.0
83.04994	1.1
83.08631	3.0
84.08146	0.7
91.04984	0.6
91.05480	3.5
93.07041	5.5
95.04974	0.9
95.08616	9.0
97.06530	1.9
97.10161	0.8
98.98480	2.8
99.08086	1.8
99.19164	0.6
105.07029	6.2
107.08602	6.5
109.06528	6.8
109.10170	4.2
111.08080	1.3
117.07001	1.2
119.08591	9.0
121.06484	0.7
121.10143	5.4
123.08076	13.2
123.11726	1.5
125.09666	1.5
131.08585	2.4
131.39265	0.6
133.10146	6.9
135.08052	6.4
135.11700	1.7
137.05981	0.7
137.09573	1.3
142.81361	0.6
143.08492	0.8
145.10136	3.7
147.11702	4.4
149.09601	2.0
149.13290	2.7
151.11201	0.9
157.10132	1.5
159.11728	2.5
161.09616	1.3
161.13255	1.7
165.12804	1.4
167.14313	1.3
168.78123	0.6
173.13280	1.4
175.07695	0.6
175.11180	1.1
175.14868	5.0
177.12700	2.8
177.16269	1.0
179.12747	1.3
179.14319	20.3
185.13242	0.6
191.14276	1.1
193.12251	0.9
193.15878	1.2
205.15916	3.2
216.06548	0.8
263.20023	1.0
271.20639	0.7
285.17300	0.8
289.21719	6.1
289.24826	1.1
289.64020	0.6
293.21185	2.0
297.03860	0.6
303.26871	2.2
319.22681	1.3
331.26355	11.5
337.23834	0.7
347.25858	1.2
349.23743	0.8
349.27490	5.5
374.30664	1.7
375.28946	1.6
387.28778	4.5
405.30023	100.0
485.26862	0.9
503.27579	4.8
528.30774	1.4
539.56372	0.6
546.31854	2.8
554.22699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
55.05520	3.3
57.03445	3.2
57.07066	1.8
62.06092	1.1
67.05186	0.7
67.05515	8.6
69.03407	0.6
69.07072	6.1
69.99551	0.8
69.99897	1.8
71.04990	1.5
71.08636	3.3
79.05497	5.8
81.03407	1.5
81.07063	11.6
83.04971	1.0
83.08625	3.9
85.06551	1.2
91.05483	5.3
93.07056	5.9
95.04960	0.8
95.08611	8.9
97.06540	2.3
97.10177	1.0
98.98475	3.3
99.08112	2.5
105.07048	5.6
107.04942	0.6
107.08602	6.4
109.06525	7.1
109.10175	4.2
111.08096	1.7
115.05461	0.6
117.07013	1.2
119.08593	8.8
121.10159	5.6
123.07198	1.0
123.08075	13.6
123.11705	1.8
124.01600	0.6
125.09626	1.5
129.06984	1.1
131.08577	2.6
131.09410	0.4
133.10138	7.9
135.08067	6.9
135.11679	1.6
136.01518	0.4
136.08777	0.5
137.05980	1.3
137.09619	1.0
142.07736	0.5
143.08560	1.1
145.10114	2.6
147.11708	6.0
149.09619	1.1
149.13297	2.4
157.10182	1.4
159.11708	2.9
161.09642	1.5
161.13286	1.6
163.11194	1.4
165.12749	1.1
167.14331	1.7
171.11714	0.7
173.02054	0.5
173.11781	0.5
173.13274	1.1
175.07504	0.6
175.11218	1.0
175.14842	6.2
177.12776	2.9
177.16370	0.5
179.14314	19.9
187.07549	0.5
187.14909	0.6
191.14322	1.1
193.12286	1.3
193.15929	1.7
205.15956	3.6
208.56152	0.4
216.06358	1.4
219.17542	0.5
229.14377	0.5
231.16008	0.7
233.19038	0.6
263.20099	1.6
267.15955	1.6
271.20615	0.5
275.20093	1.0
285.41849	0.4
289.21686	5.3
293.21161	2.0
301.21658	0.6
303.26846	1.7
319.22668	1.4
331.26328	11.3
337.23785	1.2
347.25745	0.7
349.23575	0.7
349.27432	5.6
356.45694	0.5
357.28235	0.6
361.27429	0.8
369.27576	0.9
374.30533	1.7
375.28931	1.8
387.29065	4.5
405.30029	100.0
406.30203	0.9
485.26611	1.1
503.27838	6.2
529.30121	0.4
546.31885	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78442	0.6
53.03934	1.2
53.44596	0.6
55.01867	1.2
55.05510	2.0
57.03434	0.8
61.13965	0.6
67.05500	3.0
69.03426	1.8
70.06583	2.4
70.66022	1.5
71.04986	1.0
72.07820	0.7
72.08163	10.0
79.05498	6.9
81.03422	3.0
81.07061	10.1
82.06556	0.7
83.04977	4.0
83.75546	0.6
84.08137	1.7
85.02905	0.9
86.09713	1.4
91.05482	15.9
93.07043	7.9
95.04978	31.2
95.08596	1.2
97.02893	0.6
97.06552	0.9
103.05449	1.7
105.07040	38.8
107.04939	2.2
107.08585	2.6
109.02879	1.0
109.06548	1.1
111.04443	1.1
117.07009	2.7
119.08566	3.7
121.06535	0.7
121.10157	10.0
122.17932	0.7
123.08156	1.2
127.03970	1.0
128.07094	1.6
129.07004	2.0
130.08635	1.2
131.08583	13.8
133.06503	8.7
135.08035	1.3
139.09926	1.3
143.08588	0.9
145.10136	12.4
147.04356	0.8
147.08089	3.0
147.11671	0.6
149.09631	22.3
151.03882	1.0
163.07614	0.9
163.11151	3.1
173.09650	1.8
178.30859	0.7
191.10693	2.8
206.15587	0.8
209.11800	1.5
244.17113	0.8
262.18042	100.0
280.19089	47.8
298.20056	2.7
354.93796	0.9
384.11636	0.9
495.35919	0.8
508.26691	0.7
538.18567	0.7
546.24091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.9
55.05520	2.6
67.05510	3.3
69.03438	1.3
69.07016	1.1
70.06595	3.4
71.04430	1.3
71.04988	1.5
71.07371	1.2
72.08153	10.5
79.05512	7.2
81.03423	3.6
81.07065	8.1
83.04974	2.1
84.08122	1.2
85.02908	2.7
91.05489	15.4
93.07053	8.8
95.04974	34.2
95.08632	1.8
103.05434	1.7
105.07039	39.5
107.04961	2.6
107.08614	3.2
109.02892	1.5
112.36547	1.1
117.07027	4.3
119.08609	3.7
121.06493	1.2
121.10138	10.3
123.08059	1.9
128.07072	1.6
129.07011	2.8
129.10202	0.9
129.11699	1.0
130.07741	1.3
130.08690	1.0
131.08571	12.9
133.06509	9.1
135.08107	1.5
139.09924	1.7
145.06648	1.2
145.10138	11.0
147.08063	3.0
149.08435	1.2
149.09625	21.4
163.11194	3.5
173.09636	2.9
179.54712	0.9
191.10750	2.8
209.11781	1.5
262.18042	100.0
280.19101	49.3
298.20135	2.1
337.53149	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.8
55.01875	4.2
55.05516	28.4
57.03446	8.1
57.07076	3.1
63.58280	1.1
65.03954	2.0
67.05510	50.5
69.03425	3.8
69.07077	14.3
69.86261	5.6
71.04980	2.4
79.05499	37.1
81.03425	24.3
81.07064	49.4
83.04993	5.9
83.08617	18.6
85.06557	2.4
91.05487	27.2
93.07056	31.4
95.04984	17.2
95.08611	33.1
97.06554	3.5
97.10181	15.4
105.04519	1.9
105.07045	27.3
107.04971	7.8
107.08601	23.9
109.06542	4.6
109.10172	25.0
111.08100	5.0
115.05479	1.8
117.07030	11.7
119.04932	1.1
119.08597	24.8
121.06524	6.1
121.10156	16.2
123.08101	3.2
123.11729	7.0
124.42199	1.2
125.09639	14.3
128.06270	1.5
129.07013	9.7
131.08591	20.6
133.06567	2.5
133.10155	15.4
135.08093	5.8
135.11690	11.0
135.38232	1.1
137.05997	3.6
137.09625	3.3
137.13278	1.3
141.07063	1.3
143.08546	7.5
145.06567	1.3
145.10136	12.8
147.08076	2.6
147.11705	12.8
149.09665	3.2
149.13307	4.7
153.09117	1.7
155.08578	3.7
157.10135	8.6
159.08118	1.9
159.11693	9.1
161.09689	2.2
161.13255	5.7
163.11259	2.7
163.14861	2.3
165.12781	1.3
169.10156	4.7
171.08327	1.0
171.10339	1.5
171.11667	5.8
173.09735	1.1
173.11971	1.3
173.13297	7.1
175.07448	1.3
175.11223	3.7
175.14900	2.6
177.12817	1.7
181.10144	2.1
183.11761	3.4
185.13274	4.1
187.11218	2.1
187.14877	6.0
189.09450	2.2
189.11270	8.6
189.12834	1.9
189.16364	1.6
191.14276	1.6
193.12239	7.0
197.13258	2.3
199.14903	3.1
201.16371	1.6
205.12460	1.3
211.14966	1.5
213.16280	1.3
213.73721	1.1
223.15016	1.8
227.12798	10.7
233.15369	1.8
241.17973	1.2
243.21132	3.1
247.16972	2.4
261.19000	1.5
261.22192	10.4
265.17776	1.3
267.15967	24.3
272.09814	1.3
275.20282	1.7
279.23230	1.2
285.22147	2.7
287.20294	1.9
295.22461	1.6
299.23755	2.8
301.21771	2.4
301.25232	15.7
303.23181	2.8
317.24789	3.1
327.23355	1.4
335.25891	16.1
357.27780	1.7
359.25958	2.7
417.26419	1.6
417.31448	2.2
421.25995	5.0
435.27496	3.4
435.32834	5.2
440.25693	1.5
453.33652	10.9
471.34732	9.2
489.35788	1.6
509.36279	1.9
527.37384	53.3
545.38422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01867	4.4
55.05517	21.6
55.75661	1.1
57.03440	5.5
57.07069	1.7
59.04992	1.3
61.03226	1.1
65.03933	1.4
67.05509	46.8
69.03416	2.8
69.06786	1.0
69.07079	11.9
70.06785	4.9
71.04987	3.4
78.62790	1.1
79.05498	27.6
81.03423	19.4
81.07062	39.9
83.04983	3.6
83.08619	13.6
85.06535	2.1
91.05483	25.2
93.07055	30.0
95.04975	14.5
95.08614	30.5
97.06542	4.0
97.10173	16.8
99.08114	2.2
105.07040	21.8
107.04950	4.8
107.08607	20.6
109.06532	3.9
109.10168	19.6
111.08101	3.3
117.07021	8.8
119.08585	17.5
121.06528	4.9
121.10149	15.0
123.08049	3.3
123.11730	6.8
125.09641	11.3
128.06235	1.5
129.07047	6.8
131.08580	18.0
133.06497	1.6
133.10127	12.0
135.08073	4.5
135.11697	9.5
137.06050	2.5
137.09644	3.2
137.13187	1.6
141.07011	2.3
142.07782	1.6
143.08510	5.3
145.10127	11.5
147.08067	3.9
147.11700	10.4
149.09631	3.2
149.13268	3.7
151.11252	1.3
155.08603	2.1
157.10165	6.6
159.11734	10.2
161.13184	5.2
163.11224	3.7
163.14844	2.4
165.12796	1.5
169.10159	2.7
171.10388	1.6
171.11792	4.3
173.09676	1.4
173.13231	8.2
175.11116	2.1
175.14867	2.8
177.12827	1.8
181.10239	1.1
183.11745	3.3
185.13235	3.3
187.13400	1.4
187.14873	3.7
189.11240	5.3
191.14459	1.1
193.12239	7.7
195.11754	1.9
197.13327	2.1
199.14821	1.9
201.12894	1.1
201.16502	2.2
205.12334	1.5
211.13138	1.6
215.14449	1.7
227.12796	11.4
233.15375	1.5
243.21118	3.2
247.17067	1.5
261.22171	10.2
267.15939	18.8
273.14807	1.2
277.21631	3.1
285.22263	2.6
287.20193	1.9
299.23709	2.0
301.25290	15.3
303.23389	1.5
317.24774	2.6
335.25845	15.2
341.24924	2.0
343.22470	1.3
359.25827	3.6
369.07837	1.1
403.24768	1.8
417.31442	2.1
421.25906	2.0
435.27505	2.6
435.32724	8.3
453.33716	14.3
461.28864	1.1
471.34894	7.0
491.35678	1.3
509.36102	3.1
527.37366	58.6
545.38458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38894	1.2
53.03941	2.6
53.93718	1.1
55.01873	3.8
55.05266	2.0
55.05517	26.7
55.98650	1.6
57.03437	7.0
57.07076	1.3
59.05011	1.4
65.03941	3.1
67.05514	50.6
69.03443	2.2
69.07082	12.5
70.01510	5.1
71.05005	2.4
77.03944	1.2
79.05499	35.5
80.68507	1.1
81.03430	25.7
81.07061	49.0
81.07535	2.7
83.04987	4.8
83.08630	16.8
85.06567	2.7
91.05492	26.2
93.07048	33.8
94.94414	1.2
95.04966	15.9
95.08614	29.2
97.06550	3.8
97.10176	17.1
98.21442	1.8
99.08097	2.0
105.07044	24.9
107.04984	5.9
107.08607	25.4
107.92786	1.3
109.06531	5.2
109.10173	20.7
111.08105	5.2
111.11741	1.3
115.05454	2.6
117.07020	11.3
119.04935	1.3
119.08591	21.3
119.87331	1.4
121.06506	7.5
121.10150	13.0
123.08089	5.4
123.11705	6.6
125.09650	12.4
127.10567	1.2
128.06239	1.7
129.07016	9.8
131.08583	19.3
131.09535	1.9
131.20235	1.2
133.06503	2.2
133.10164	15.1
135.08081	6.4
135.11678	8.4
137.09627	2.7
137.13298	1.7
142.07756	1.7
143.08566	8.3
145.06526	1.2
145.10121	13.4
146.98230	1.6
147.08051	2.3
147.11700	11.6
149.09676	3.5
149.13324	4.7
155.08583	2.2
157.10136	7.2
159.08102	1.9
159.11710	11.4
161.09576	1.3
161.13243	6.7
163.11256	2.5
163.14890	2.2
165.12753	1.3
169.10161	2.8
171.10353	1.8
171.11650	6.2
173.09752	1.7
173.13264	6.7
175.11237	3.4
175.14938	2.0
177.12852	1.8
183.11787	3.4
185.13298	3.2
187.11243	1.4
187.14893	4.5
189.11215	8.4
189.12741	1.3
191.14333	1.6
193.12274	8.2
195.11700	1.7
197.13313	2.8
199.14873	1.7
203.18025	1.4
207.13884	1.4
213.16484	2.6
217.15903	1.4
227.12756	11.0
233.15388	1.8
243.21156	4.1
247.17061	1.9
249.14919	2.0
259.16904	1.6
261.22141	10.5
267.15933	22.4
279.23135	1.8
283.24442	1.3
285.21915	2.3
287.20169	1.7
293.21426	1.2
299.23743	1.5
301.21790	2.1
301.25226	14.0
303.23160	1.5
308.37061	1.2
317.24771	2.8
335.25839	13.7
359.25833	2.1
364.55020	1.3
407.24130	1.5
417.31683	2.3
421.25940	2.9
435.27383	2.6
435.32755	7.6
453.33603	10.8
471.34857	11.2
509.36691	2.4
527.37341	54.2
545.38507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.5
55.01872	3.3
55.05269	1.6
55.05516	16.6
57.03446	5.7
57.07071	3.1
61.96147	1.0
65.03933	3.0
67.05509	61.8
67.42548	1.1
69.07072	20.3
69.82236	5.5
71.04984	3.3
71.08635	27.8
72.08146	2.0
77.03922	2.1
79.05497	53.7
81.03445	7.8
81.07063	72.9
83.04996	9.6
83.08624	12.0
85.06555	3.0
91.05489	39.7
93.07051	68.5
95.04971	9.4
95.08616	32.8
97.06541	9.6
97.10184	5.0
99.08096	19.4
105.04523	1.9
105.07043	24.3
107.04955	6.9
107.08600	37.9
109.06524	3.2
109.10166	12.5
111.08123	4.1
113.09673	2.6
117.07036	7.2
119.08592	15.1
121.06541	1.3
121.10152	25.4
123.08094	2.0
123.11729	3.4
125.09566	1.5
129.07019	3.6
131.08592	10.7
133.06505	1.1
133.10135	12.8
135.08058	1.6
135.11696	28.8
137.09669	2.0
139.11177	1.1
141.09099	3.0
143.08565	2.5
145.10147	4.9
147.08022	1.3
147.11664	6.3
149.09692	1.9
149.13261	16.5
151.11183	10.3
157.10121	2.7
159.11696	6.2
161.13277	9.2
163.11200	4.6
163.14821	1.8
167.10699	2.2
171.11732	2.3
174.97459	1.1
175.14813	1.5
177.12775	5.9
179.14323	85.7
185.13356	2.2
189.12828	1.8
193.12213	1.8
195.13849	4.5
199.14899	1.9
218.61159	1.2
221.15457	2.2
235.16992	4.1
241.19376	1.1
251.16466	4.2
259.20645	3.6
270.91302	1.3
277.21643	69.2
295.22791	5.9
313.54654	1.1
351.25302	2.1
518.73944	1.2
527.37512	3.9
545.38458	100.0
546.39362	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01615	0.9
55.01879	3.2
55.05269	1.6
55.05518	24.8
57.03444	5.9
57.07082	2.6
59.05016	1.0
59.97496	1.0
65.03940	1.7
67.05513	53.4
69.03428	3.9
69.07075	12.6
71.04989	3.7
79.05503	31.9
81.03430	26.0
81.03798	0.6
81.03915	1.0
81.07066	47.3
83.05007	5.3
83.08633	15.6
85.02916	1.3
85.06546	1.8
91.05495	25.5
93.07054	31.2
95.04977	14.2
95.08618	31.3
96.26867	0.9
97.06554	3.9
97.10178	15.5
98.21523	2.9
99.08115	1.6
103.05483	1.2
105.04526	1.7
105.07034	23.0
105.07685	1.4
107.04971	5.4
107.08601	21.8
109.06548	4.9
109.10169	20.8
109.10906	0.7
111.08115	5.0
117.07030	12.0
119.08590	19.5
121.06510	6.9
121.10151	14.4
123.08083	4.0
123.11720	8.3
125.09645	13.8
128.06306	1.4
129.07001	8.2
131.08583	19.2
133.06476	2.0
133.10130	14.8
135.08093	6.2
135.11684	9.4
137.09630	2.4
137.13272	2.0
141.06992	2.3
143.08536	6.2
143.10878	0.9
145.06506	1.6
145.10136	11.8
147.08066	2.9
147.11702	10.4
149.09625	2.7
149.13292	5.8
151.11191	1.0
153.09174	2.1
155.08568	2.7
157.10147	6.0
159.08130	1.8
159.11693	11.1
161.09674	2.1
161.13271	5.5
163.11238	4.3
163.14896	2.6
165.12712	1.6
167.08647	1.1
169.06171	1.0
169.10216	3.8
171.08150	0.9
171.10345	1.2
171.11751	4.2
173.09627	1.8
173.13257	9.3
175.11197	3.0
175.14868	4.3
177.12830	1.6
181.10239	1.7
183.11752	3.7
185.13263	6.6
185.32848	1.0
187.13397	1.2
187.14815	5.9
189.11238	6.9
189.12778	1.8
189.16431	1.4
191.14328	1.3
193.12267	7.9
195.11731	1.4
197.13298	2.5
199.14857	2.5
201.16469	3.3
203.14430	1.6
205.12369	1.4
209.13315	1.9
211.13243	1.5
211.15034	1.1
213.16479	2.4
227.12808	12.8
227.18027	1.4
235.17015	1.1
237.16325	1.2
243.21109	2.1
247.16895	2.8
249.14764	2.2
259.20816	1.0
261.22180	11.1
267.15967	21.5
269.18927	1.8
279.23428	1.4
281.21155	1.2
283.24280	1.8
285.22180	4.0
287.20142	2.5
295.22449	1.1
299.23618	2.2
301.25302	16.1
303.23160	2.4
317.24902	2.1
335.25870	17.4
341.24857	1.5
343.23029	1.1
357.27979	2.0
359.25739	1.9
421.25977	3.1
435.27286	2.5
435.32712	7.1
453.33521	10.1
471.34741	8.0
475.30991	1.1
489.35974	1.1
527.37378	57.3
545.38440	100.0
546.38684	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	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.01877	6.9
55.05268	2.0
55.05515	28.2
55.93687	1.8
57.03434	6.4
57.07061	2.0
64.62722	1.3
65.03937	2.0
67.05510	58.0
69.03426	3.4
69.07073	14.8
69.90344	2.5
69.90705	6.2
71.04992	2.6
71.24924	1.4
79.05071	2.4
79.05501	36.1
81.02987	2.7
81.03428	24.9
81.07062	58.0
82.72745	1.5
83.04977	6.3
83.08621	18.5
85.06542	3.2
85.32214	1.4
91.05488	28.6
93.07053	37.7
95.04977	19.7
95.08615	34.1
97.06544	5.3
97.10185	19.8
99.08096	1.6
101.09134	1.3
105.07034	27.8
107.04945	6.9
107.08601	30.7
109.06520	4.7
109.10171	20.3
111.08090	5.1
111.94547	1.5
115.05468	3.1
117.07033	14.7
119.08585	24.3
121.06517	5.3
121.10154	15.1
123.08062	4.0
123.11729	6.4
125.09636	15.3
129.07016	11.2
131.08582	22.1
133.06517	3.1
133.10144	18.7
135.08051	4.8
135.11697	13.2
137.06007	2.0
137.09645	2.6
142.07813	1.6
143.08582	5.7
145.10141	15.4
145.61195	1.5
146.33730	1.5
147.08049	2.6
147.11716	14.3
149.09616	2.3
149.13303	5.2
153.09128	1.8
155.08568	4.0
157.10159	9.7
159.04422	2.0
159.08116	3.9
159.11716	12.7
161.13266	6.1
163.11157	3.2
163.14828	3.0
165.12825	2.0
169.10120	2.4
171.11749	5.9
173.09702	1.9
173.13246	9.4
175.11232	2.1
175.14864	4.2
177.12817	2.5
183.11810	3.2
185.13293	4.5
187.14839	4.7
189.09178	4.8
189.11229	6.9
193.12245	9.3
197.13385	3.8
199.14810	3.4
201.09109	2.0
201.16347	2.6
203.10619	2.6
211.14874	2.2
214.59409	1.6
221.13269	1.6
227.12752	12.5
228.66820	1.3
236.61693	1.4
243.21205	2.6
247.16960	3.4
261.22144	11.0
267.15961	26.4
275.20160	1.9
279.23218	2.2
281.12115	1.6
285.22049	2.3
295.22623	1.5
299.23624	2.7
301.21994	1.8
301.25293	16.7
317.24881	2.3
328.00934	1.6
335.25842	23.0
357.28012	2.0
359.25693	2.2
368.99091	1.4
417.31482	2.2
421.25888	4.2
435.27493	2.4
435.32779	6.3
453.33725	10.7
461.29245	1.7
471.34985	9.2
509.36298	2.3
527.37317	59.2
545.38452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.01873	1.3
57.03421	0.7
60.61271	0.4
61.02921	1.0
65.76477	0.4
66.04710	0.6
69.03439	2.7
69.54362	1.6
69.54793	1.4
70.06596	0.7
73.50912	0.4
79.05489	1.7
81.03433	1.5
81.07069	1.2
84.08141	1.1
85.02906	8.9
91.05482	1.5
94.04196	2.9
95.04959	0.7
97.02884	2.2
97.06530	1.2
103.05453	2.3
105.07044	9.3
107.04964	0.8
109.02903	1.1
109.06544	2.3
115.05473	2.9
117.07037	0.4
118.04169	0.9
121.06505	0.5
122.03660	5.9
123.04395	0.7
127.03899	1.5
128.06235	2.3
129.07008	0.9
131.04964	1.8
133.06499	6.9
137.05989	70.8
139.05524	0.5
141.07011	1.3
143.06049	0.9
145.04898	0.6
146.03642	3.6
147.04398	0.6
149.05989	1.3
151.03893	0.6
156.05746	1.4
157.06438	0.7
159.08069	1.2
161.05994	58.5
163.07579	0.9
165.07069	0.8
167.05035	0.7
167.07043	0.7
168.05695	0.8
169.06483	0.6
171.08054	2.2
175.07545	1.0
177.05495	0.7
181.06564	0.8
184.05173	3.6
185.06013	0.8
187.07581	1.8
189.06984	0.9
190.07800	0.5
191.08583	1.7
192.09390	1.8
199.07561	18.6
202.07806	9.3
203.08582	20.0
204.09288	1.6
205.06485	1.5
205.10217	0.7
215.08539	1.1
217.10187	0.6
218.07259	0.9
219.08047	6.4
220.08879	6.2
221.09656	1.0
230.07306	2.2
231.08064	33.7
232.08839	7.6
233.05988	0.8
233.09587	1.1
235.11214	1.9
237.09088	0.6
242.07318	0.5
245.09673	1.4
247.07591	5.0
248.08368	16.4
249.08998	2.1
258.06802	3.2
259.07559	26.3
260.08344	15.6
260.11099	0.8
261.09079	2.0
262.09933	2.0
263.07803	0.7
263.10687	15.0
265.08627	0.8
273.08932	1.1
275.07135	2.9
275.09818	0.5
276.07813	13.0
277.08606	4.3
280.10989	0.9
290.09454	0.7
291.10168	100.0
292.10898	5.6
293.08118	3.3
295.09845	0.6
295.13300	1.4
307.09732	0.5
308.10461	3.7
323.12796	64.0
353.14145	0.6
383.10907	0.7
395.11243	1.2
399.10782	0.6
401.68591	0.5
425.12292	1.6
449.12302	1.0
527.15741	0.5
545.16528	1.2
545.32849	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86166	3.6
53.03930	4.8
55.05499	12.8
57.07070	7.7
59.65265	3.3
66.04726	3.5
67.05506	22.7
69.07072	33.3
69.40086	21.6
69.40491	7.0
70.07397	4.0
71.05005	6.2
79.05501	24.4
81.07064	100.0
82.07394	4.2
83.08611	5.6
91.05467	18.4
91.71970	3.4
93.07049	44.4
95.08618	54.9
97.10136	5.1
98.21467	7.6
103.05466	8.5
105.07036	72.3
107.08601	49.1
109.10150	36.3
110.10444	4.2
115.05470	10.0
117.07037	6.9
119.08600	22.5
121.10159	30.3
123.11732	18.1
127.11189	6.9
131.08493	4.3
133.06494	46.7
133.10165	20.4
135.11688	29.7
139.32341	3.5
143.05969	4.8
145.10110	11.1
147.11693	17.0
149.13290	21.7
159.11760	9.2
160.12097	4.4
161.05984	92.0
161.13249	14.7
163.14760	10.2
167.07036	24.1
175.14767	3.9
176.26474	4.1
177.16367	8.0
182.09454	4.8
187.14859	5.0
189.16423	8.4
191.06998	11.4
193.08611	86.0
201.16502	6.0
203.17944	11.4
210.08900	9.3
211.09564	8.5
215.17989	4.1
238.25848	3.6
271.24185	5.1
285.45944	4.2
334.31052	12.5
544.49878	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.6
55.05504	13.2
67.05508	41.6
69.07079	27.5
70.51693	5.3
71.04947	4.5
72.62929	4.6
79.05490	20.9
81.06592	6.4
81.07066	84.3
83.04988	4.9
83.08598	5.1
87.04452	4.2
91.05499	27.8
93.07062	59.3
93.07653	7.2
93.75101	4.9
95.08615	55.6
97.10167	4.2
102.96536	4.7
103.05460	7.0
105.07043	86.8
107.08614	55.6
109.10180	44.9
112.22083	5.1
115.05455	8.5
117.07020	6.6
119.04949	4.3
119.08609	51.3
121.10165	36.8
123.11720	17.1
131.08609	11.2
133.06505	39.2
133.10149	15.7
135.11694	23.3
145.10136	9.6
147.11679	21.6
149.05925	5.0
149.13277	22.7
149.30620	4.9
159.11723	15.3
161.05995	100.0
161.13278	21.5
163.14847	11.1
167.07054	15.3
173.13263	9.7
175.14841	12.3
181.08630	5.0
182.09407	6.9
187.14799	7.8
189.16464	6.2
193.08640	97.4
201.16406	11.1
203.61362	4.8
210.08862	12.4
211.09711	10.7
215.17949	12.1
271.24268	15.1
276.20523	4.8
295.06729	4.6
334.31018	15.1
473.37247	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	544.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40040	0.7
53.31911	0.7
55.05518	4.8
58.06603	26.6
58.47672	0.7
60.04512	1.9
64.49775	0.7
64.59749	0.8
67.05496	3.4
69.07063	1.1
71.04984	1.1
71.37964	0.9
72.08154	2.1
73.52093	0.7
79.05499	4.1
81.07062	5.1
83.04981	28.9
83.08606	0.9
88.55642	0.8
91.05486	4.6
93.07052	6.6
95.04976	0.9
95.08595	5.2
97.06492	0.9
98.21278	0.7
99.04462	2.8
100.07599	5.8
105.07022	5.2
107.08602	9.4
109.06546	1.5
109.10169	2.0
111.08046	1.0
117.07055	1.5
119.08575	9.2
121.06484	1.1
121.10143	4.9
123.08102	2.5
125.88169	0.7
129.07007	2.1
131.08574	4.0
133.10126	6.5
135.08127	0.9
135.11690	2.4
137.09619	1.1
141.09093	0.8
143.08569	2.8
145.10143	4.7
147.11691	2.7
149.09656	0.9
149.13228	0.8
155.08554	1.0
157.10167	3.9
159.07918	0.8
159.11685	5.2
161.09665	2.0
161.13251	1.9
163.11197	1.8
167.08525	0.9
168.09465	0.9
169.10168	1.6
171.11726	3.3
173.09666	1.4
173.13297	2.9
175.11145	1.1
183.11754	2.5
185.13277	2.4
187.11108	0.9
187.14821	2.2
189.09196	1.1
195.11781	1.7
197.13351	2.5
199.14879	1.2
209.13249	1.4
211.11366	0.9
211.14915	1.9
213.16374	1.6
215.14365	1.1
217.15866	0.9
219.13916	1.2
223.14909	1.3
225.16406	1.3
227.14117	1.2
229.16118	1.1
233.15451	2.2
271.17047	1.0
325.21811	0.9
327.23349	2.7
395.25580	1.4
397.29947	0.8
413.26981	2.1
449.30496	2.9
467.31519	5.5
508.34015	0.8
544.36365	100.0
545.36218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01858	1.9
55.05504	5.5
65.03959	2.5
67.05513	10.5
69.07059	2.5
79.05483	7.3
81.03420	7.4
81.07061	15.2
84.08130	2.3
91.05500	20.0
93.07054	50.8
95.04964	5.1
95.08618	15.0
105.07046	9.0
107.08615	31.5
109.06547	4.5
109.10145	6.8
115.05482	4.2
117.07011	4.2
119.08586	2.7
121.10202	2.6
122.03703	3.8
129.07048	8.7
131.04871	4.0
133.10153	4.6
135.11710	51.3
137.05994	100.0
143.04951	9.4
151.03865	5.1
153.05472	3.9
157.06514	5.2
160.05225	16.4
161.06006	2.3
172.05214	3.7
174.06766	2.0
175.07567	74.7
187.07556	32.5
189.09167	9.5
191.08592	2.2
199.07442	2.5
205.08624	16.8
217.08607	3.7
219.07880	2.7
231.07910	2.4
235.09657	11.6
248.08487	2.2
271.09717	3.7
279.09921	2.7
291.10162	6.7
311.12973	2.1
323.12711	4.7
341.13837	5.4
452.31766	2.1
544.37122	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	544.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01876	6.8
55.05519	8.3
58.06593	4.3
59.88797	1.4
67.05499	3.9
69.03435	4.7
69.07077	2.8
70.06594	7.9
71.04992	1.8
71.53072	2.0
72.08166	38.5
79.05502	26.9
81.03445	8.5
81.07053	5.9
82.06558	1.8
83.04999	3.2
83.90237	1.3
84.08155	3.8
85.02920	5.1
91.05490	28.1
93.07059	14.5
95.04986	11.7
95.08598	3.8
97.02921	7.7
97.06574	2.1
97.10167	3.1
98.06055	5.4
103.05464	3.1
105.03384	1.9
105.07037	14.4
105.17589	1.5
107.04964	7.3
107.08607	2.3
108.08134	1.8
109.02876	4.9
111.04439	2.0
111.11736	2.1
116.07108	2.2
117.07034	11.7
119.08589	24.6
121.06519	100.0
121.10149	6.1
127.03930	5.8
128.06247	4.4
128.07155	1.8
129.06995	6.2
129.29683	1.3
131.04930	2.6
131.08553	2.0
133.06439	3.3
133.10147	4.1
135.08022	1.4
138.09157	3.7
139.10001	2.5
139.11160	5.2
142.36449	1.6
143.08572	11.0
145.04913	2.2
145.06505	1.7
145.10139	16.9
147.06952	2.6
147.08066	41.7
147.09235	2.3
149.64180	1.6
151.03915	5.9
152.10675	1.7
157.12230	4.0
160.07593	2.8
161.09653	15.9
163.11188	6.6
171.08011	2.6
174.08885	1.4
176.10666	1.8
177.05495	2.0
189.09135	17.6
203.12787	4.8
207.10197	12.7
218.15439	20.9
236.16493	5.8
260.16495	86.6
264.19986	1.6
278.17545	79.7
296.18604	50.1
317.27826	1.7
329.15961	5.1
330.19083	1.3
347.16751	2.9
382.22348	1.9
509.90509	1.7
509.98395	1.9
526.15240	3.8
526.22736	2.1
544.27655	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	544.182
Annotation	10-Carboxy-13-deoxycarminomycin
Peak:m/z	Relative Intensity
57.03429	0.2
69.69799	0.9
69.70212	0.6
70.06593	1.5
79.97012	0.2
81.03416	0.5
82.06589	2.5
84.08150	100.0
85.02920	0.3
86.09748	0.4
91.05481	0.3
97.45351	0.3
109.02882	0.4
116.07153	0.3
117.29046	0.3
119.04941	0.7
121.02863	1.6
127.03984	0.3
128.07101	2.5
130.08649	29.6
136.06204	0.9
145.02895	0.4
147.04398	0.4
149.02374	0.7
151.03896	0.3
163.03899	0.6
165.01836	3.2
167.03468	0.8
172.09737	1.2
177.01898	0.3
177.05473	0.3
183.02965	0.5
187.03981	0.5
195.02870	0.5
202.10728	1.8
232.11810	16.3
239.07045	0.3
267.06482	2.1
270.05383	0.6
271.06088	1.4
274.12823	0.3
281.08072	1.2
283.06030	15.9
284.06754	2.3
295.06091	4.0
295.09436	0.6
297.04166	0.4
297.07623	0.9
305.07986	0.8
307.06052	0.6
308.06757	0.4
309.04080	0.5
309.07480	3.2
311.05643	0.5
313.07065	15.6
314.71841	0.3
321.07394	0.3
323.09134	2.6
325.07001	0.5
333.07654	1.3
337.07074	2.8
349.06931	1.1
351.08884	0.4
361.07101	3.2
363.08640	1.4
379.08145	7.3
384.82620	0.3
397.09195	1.7
415.10181	1.4
445.05194	0.3
490.14734	0.3
508.16089	2.6
526.17096	15.6
544.18176	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.70834	0.3
56.84846	0.3
58.06586	0.9
69.03435	2.1
70.06607	2.3
71.51905	0.5
72.08155	0.4
81.03425	2.0
82.06582	0.9
84.08129	0.9
85.02910	1.4
87.00829	1.0
88.04008	0.7
89.03909	1.1
93.03411	1.1
95.04915	0.6
97.02908	0.8
105.01855	0.5
109.02900	2.0
110.07200	0.5
117.03388	1.2
117.07027	0.5
119.04926	0.9
121.02883	2.0
123.04430	0.4
127.03925	1.2
128.07069	2.5
129.07027	1.2
130.08650	0.5
135.04469	2.3
135.08058	0.6
145.02844	1.3
145.05008	0.4
145.06505	0.9
147.04428	2.4
147.08070	0.6
151.03876	0.9
157.06516	0.5
160.66074	0.4
163.03920	13.8
164.04256	1.5
165.05472	1.2
173.06013	7.0
175.03926	23.6
175.07524	2.7
177.05530	0.9
189.05478	0.6
190.06294	0.5
191.07016	2.2
193.04936	0.5
201.05482	11.0
203.07076	1.7
214.08698	1.5
216.10240	1.9
219.06557	1.4
221.02905	0.8
229.04932	3.5
232.09705	45.9
247.06053	3.5
278.10254	100.0
279.10516	0.4
296.07977	0.6
296.11313	12.7
363.96756	0.4
526.15625	32.3
544.16504	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	543.4933
Annotation	UNII-3V8034L59C
Peak:m/z	Relative Intensity
53.03942	4.1
55.05308	1.1
55.05516	12.9
57.07086	5.2
61.95414	1.0
65.03935	1.6
67.05173	1.9
67.05511	21.8
69.07077	46.7
70.21972	4.7
71.08629	3.2
79.05073	1.3
79.05503	17.2
81.07067	100.0
83.08627	11.0
91.05482	11.4
91.42812	1.1
93.07059	31.7
95.04989	1.6
95.08619	67.8
97.10191	6.3
105.07045	22.5
106.93870	1.1
107.08604	36.4
109.10166	42.5
111.11779	2.5
117.07043	2.7
119.08590	26.6
119.09376	2.2
121.09328	2.3
121.10158	35.4
121.58367	1.1
123.11714	22.4
129.06975	1.8
131.08577	9.1
133.10144	21.5
135.11708	19.8
137.13290	13.9
142.07860	1.4
143.08624	5.4
144.09352	2.0
145.10139	21.1
147.11702	19.7
149.13274	21.1
151.14873	2.2
157.10152	5.9
159.11714	19.2
161.13271	16.9
161.67517	1.1
163.14845	10.2
165.16422	1.4
169.10130	3.2
171.11749	6.8
173.13293	14.4
175.09332	1.2
175.14851	13.4
177.16365	7.3
183.11652	2.9
184.99892	1.0
185.13240	7.4
187.14844	11.0
189.16391	9.8
191.17957	4.8
197.13264	3.4
199.14935	7.5
199.16608	1.3
201.16405	16.1
203.17976	9.3
205.19431	1.9
211.14868	3.0
213.16415	6.4
215.18025	9.7
217.19574	4.6
225.16389	2.0
227.17928	6.2
229.19603	6.2
231.21094	2.6
237.16260	1.2
239.17813	2.7
241.19543	4.4
243.21184	3.7
245.22681	2.3
253.19528	3.1
255.21077	5.0
257.22668	5.1
259.24213	2.1
264.14377	1.1
266.70779	1.0
267.21121	1.8
269.22733	4.6
271.24213	3.2
281.22565	2.7
283.24249	4.1
285.25809	2.7
295.24326	1.6
297.25821	3.8
299.27350	2.8
323.27328	3.2
325.29034	6.5
337.28946	2.6
339.30466	2.7
351.30621	3.4
365.31995	1.7
369.14627	1.2
391.33868	2.5
393.35196	4.0
419.36752	2.6
433.38168	1.4
461.41428	3.9
543.49237	87.1
544.48688	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.05513	2.2
57.33170	1.1
63.19368	1.2
65.22485	1.3
67.05504	7.2
69.03439	1.6
69.07064	2.3
70.06580	3.1
71.04989	1.8
71.07376	2.9
71.52921	2.2
72.08163	17.4
79.05500	25.1
81.03410	4.5
81.07072	17.4
83.04976	3.0
91.05489	24.3
93.07052	14.2
95.04972	32.9
95.08607	3.6
96.04451	1.5
97.06530	3.7
98.06055	1.6
103.05443	2.0
105.07041	45.0
107.04978	2.9
107.08591	16.3
109.06494	2.0
109.10181	1.7
110.07176	1.4
117.07027	4.0
119.08601	5.9
121.10147	7.8
123.08054	3.7
128.06244	1.5
129.07031	5.3
131.08566	16.3
132.95412	1.2
133.06529	9.7
133.10132	5.3
135.04428	7.5
136.04709	1.5
137.05997	2.5
139.09926	4.9
142.07767	1.4
143.08598	2.8
145.06512	1.3
145.10144	11.9
147.08064	3.0
147.11700	8.9
149.09650	16.3
149.13264	2.3
155.08455	1.5
157.10112	3.1
159.11694	2.0
163.11160	2.7
163.39969	1.4
169.10100	2.6
173.06010	3.5
173.09717	1.4
174.06310	1.7
175.07626	2.3
175.11208	2.4
176.07986	1.9
185.05902	2.1
186.06409	1.7
187.07661	1.8
191.10686	2.7
207.11691	1.4
233.08157	2.0
244.17082	1.9
246.18567	18.0
261.04031	1.2
262.18048	100.0
264.19598	8.5
280.19128	19.2
357.84290	1.4
465.30603	1.5
507.35782	4.8
525.36816	15.6
543.37323	5.4
561.57611	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.9
53.03936	3.7
55.01854	3.4
55.05271	1.4
55.05515	17.3
57.03426	2.6
57.07072	2.0
59.05014	1.1
65.03941	2.0
67.05508	35.5
68.94871	0.8
69.03428	2.2
69.07074	9.7
70.69194	3.1
71.04984	2.7
71.08632	0.9
78.16364	0.8
79.05500	44.0
81.03432	4.5
81.07061	35.4
83.04977	3.8
83.08620	10.8
85.02922	1.0
85.06513	1.0
91.05490	21.7
92.67872	0.9
93.07047	53.5
95.04976	8.3
95.08611	39.5
95.09242	0.9
97.02895	2.8
97.06554	4.5
97.10164	3.0
99.04465	2.7
99.08106	1.1
105.04549	1.1
105.07032	17.0
107.04964	8.1
107.08602	34.4
109.06527	2.4
109.10161	6.8
111.08098	1.4
115.05428	1.1
117.07020	13.2
119.08593	13.7
121.06525	5.0
121.10154	17.3
123.08120	1.8
123.11741	1.9
125.05970	1.6
125.09646	1.4
128.06276	1.2
129.07019	3.3
130.07813	2.5
131.08569	8.1
133.10153	9.7
135.08122	2.1
135.11703	43.5
135.63565	0.8
139.07515	1.6
143.08607	3.2
145.10133	28.6
147.11717	3.8
149.09598	1.3
149.13297	4.0
155.08545	1.0
157.10141	1.8
159.08018	1.2
159.11667	4.9
161.13287	2.4
163.11188	43.6
163.14816	2.5
169.10196	1.5
171.11739	1.7
173.13313	2.9
181.12256	11.4
185.13309	1.3
187.14856	1.5
209.11691	2.2
222.05940	0.9
227.12790	97.0
243.21156	1.3
261.22083	5.6
267.15738	1.4
277.21564	1.5
279.41095	0.8
283.15253	1.2
299.23691	1.1
317.24695	3.0
410.02585	1.0
433.31119	1.7
451.32101	1.9
469.33292	1.5
480.07562	1.0
525.35803	4.2
543.36835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.9
51.02373	1.4
53.03946	3.6
53.04132	0.7
55.01850	2.4
55.05516	14.6
57.03419	3.3
57.07053	1.3
63.88405	0.7
65.03918	2.5
67.05511	34.1
67.54323	0.6
68.70084	0.8
69.03410	0.9
69.07076	9.2
70.83394	2.0
71.04970	3.1
71.08616	0.7
72.63431	0.7
73.02906	0.7
77.03899	0.9
79.05501	43.4
81.03441	4.3
81.07066	31.1
83.04987	4.7
83.08626	8.9
85.06528	1.2
91.05486	22.9
93.07055	51.9
95.04475	0.8
95.04977	8.1
95.08616	40.0
97.02880	3.0
97.06543	5.2
97.10155	2.2
99.04430	3.1
103.05496	0.9
105.04501	1.6
105.07042	17.9
107.04971	6.8
107.08607	36.6
109.06512	2.7
109.10165	9.8
111.04428	1.5
111.08061	1.1
113.05931	0.9
113.09635	1.1
115.05426	1.8
117.07024	12.7
119.07808	1.1
119.08595	15.6
121.06506	4.6
121.09338	1.3
121.10153	19.0
123.11723	1.4
125.06001	2.1
125.09628	1.9
128.06229	1.0
129.06978	2.1
130.07805	1.8
131.08582	7.2
133.10149	7.5
135.08055	2.0
135.11707	39.8
137.05965	1.6
137.09601	0.8
139.07529	1.5
143.08540	3.2
145.06485	1.1
145.10133	26.8
147.11665	2.5
149.09618	0.8
149.13261	2.7
151.11134	0.8
153.12723	1.2
155.08546	1.1
157.10080	1.4
159.11671	4.2
161.13211	1.5
163.11200	45.2
169.10098	1.0
171.11659	0.8
173.09654	1.1
173.13290	2.6
179.14365	1.1
181.12263	11.3
183.11639	1.1
185.13298	0.8
187.14760	1.6
209.11781	2.7
227.12799	100.0
243.21150	1.6
261.22159	5.4
277.21698	1.2
299.23752	1.7
317.24841	2.2
433.31003	1.2
451.32095	2.1
469.33228	1.7
525.35797	4.9
543.16815	3.7
543.36871	93.3
544.37433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88673	0.5
65.44328	0.4
68.98125	0.4
70.06595	0.6
70.47023	1.2
74.02453	0.4
77.96180	0.4
84.08147	0.7
91.05488	1.0
115.05447	0.7
117.05752	0.6
117.07029	1.5
118.06553	16.3
127.05476	0.5
130.06544	1.6
132.08092	4.9
141.05476	1.1
142.06512	1.5
143.07320	2.0
144.08087	12.1
146.06013	59.1
147.04427	0.6
159.09180	5.5
160.07596	1.9
162.05602	0.5
163.03896	1.6
167.07091	0.9
170.05995	3.5
188.07069	100.0
202.51515	0.5
205.09729	46.8
224.43898	0.5
278.10284	0.6
280.09857	0.4
295.12772	0.5
299.18686	0.6
320.09079	1.3
389.40656	0.4
543.19562	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.5
58.06606	100.0
60.58568	0.3
69.03455	0.5
70.06597	0.6
70.49640	0.6
70.50040	0.7
72.08141	0.3
75.37063	0.3
81.03439	1.4
84.08141	0.3
85.02924	1.0
89.03931	1.0
90.82764	0.3
91.54430	0.3
97.02953	0.4
109.02941	0.4
115.05441	1.4
117.03398	2.5
117.05775	0.5
127.03980	0.4
128.17854	0.3
132.08142	1.3
133.06490	0.4
134.06033	1.0
137.05995	1.9
138.63046	0.3
142.06555	0.4
143.04964	0.6
145.02858	8.4
146.06042	3.3
149.06055	1.0
151.03925	1.2
156.08218	0.3
160.04077	0.4
160.05296	1.1
160.07590	12.9
161.06001	0.6
162.05556	0.4
167.07321	0.4
170.06073	0.8
172.07593	0.5
174.05550	0.5
175.07564	5.7
175.09019	0.5
177.05492	16.0
184.07642	0.9
185.07178	1.3
186.05597	0.8
187.08669	1.7
189.05505	1.3
203.07123	0.5
205.13383	5.4
212.07233	0.5
255.07596	0.5
294.11328	1.0
308.12811	0.9
315.37427	0.3
318.11514	0.4
321.09781	0.7
336.12256	3.9
339.10742	0.6
364.08115	0.7
378.13565	0.4
393.10938	1.8
394.09344	0.6
404.11218	0.5
418.09259	0.7
423.12100	0.5
430.09598	0.5
431.12347	0.5
447.11853	1.5
459.11935	0.6
460.10617	0.5
471.12534	0.4
489.12796	0.4
498.17892	0.6
507.13986	2.5
525.15045	5.0
543.23450	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35452	0.6
55.01876	1.2
56.36592	0.6
57.03439	0.7
58.06601	1.4
65.71236	0.7
67.05499	1.3
69.03425	1.9
70.06583	2.0
71.04976	1.2
72.08140	2.0
74.06087	1.2
79.05498	0.9
79.12260	0.7
84.04515	1.0
85.02908	2.7
86.09704	1.7
88.62025	0.7
93.07071	1.0
95.04966	0.9
95.08607	0.8
97.02930	1.8
103.05499	0.8
106.06541	1.5
109.02904	1.3
109.10162	2.9
110.10503	1.0
117.07042	0.7
120.08103	1.0
121.02900	1.4
123.04443	0.7
130.06555	1.4
131.04938	1.2
134.06033	2.9
136.48727	0.8
137.05965	0.8
137.09659	1.4
144.04478	1.9
144.05566	0.7
146.06021	3.3
147.04448	1.6
148.07593	2.8
151.03914	5.8
158.06017	1.6
159.04405	1.2
160.07596	7.8
161.06026	1.4
162.05521	77.9
163.03906	1.7
163.06087	0.7
165.05554	0.7
165.09155	3.7
166.09465	2.0
170.06068	0.9
171.04454	0.8
172.07581	2.2
174.05534	3.0
175.03935	3.8
176.07068	10.0
181.05070	1.1
183.10179	3.5
184.07697	1.0
184.10509	2.6
185.05963	1.4
186.03157	0.9
186.05544	1.9
187.03926	1.7
188.07066	1.3
189.05455	1.5
190.05060	1.3
193.05054	2.9
198.05547	1.3
199.03804	0.9
202.04951	3.5
203.03473	2.0
203.06987	0.8
204.06615	0.8
205.04984	1.5
212.07033	1.6
213.05434	1.2
213.10333	1.3
214.05029	11.9
215.03650	1.0
216.04346	1.6
216.06570	3.2
217.05016	2.3
220.06139	2.9
226.04976	1.7
228.06590	2.1
229.04984	3.0
230.05965	1.4
230.08038	1.7
232.06070	33.2
236.07057	0.9
238.04982	1.1
239.05869	0.7
240.06638	2.9
241.04939	1.1
244.06075	9.0
246.07690	1.8
247.06093	1.0
252.06592	1.6
254.08147	3.4
256.06091	2.8
258.07645	8.3
260.05750	0.8
262.07135	11.4
264.06760	1.3
266.04349	1.1
268.06128	2.6
270.07562	1.5
271.06061	1.1
272.06033	1.2
272.09213	11.3
277.07428	0.7
280.06094	4.7
282.07648	2.5
284.05682	1.2
286.07095	19.3
289.07156	1.2
292.06119	1.1
292.09616	1.6
298.07092	12.3
300.08719	5.1
310.07123	6.6
316.08255	2.1
328.08200	10.6
346.09174	5.6
351.09769	0.7
357.09570	0.8
364.10690	1.1
365.11401	1.7
375.09940	1.0
377.11322	1.0
380.10413	1.1
381.10858	1.1
387.10049	0.9
391.09152	1.1
393.10825	31.2
405.10760	1.7
417.10641	1.3
419.08408	1.2
423.11935	10.6
433.13971	3.0
443.12686	1.6
447.11893	33.2
459.11801	6.1
461.13541	1.6
471.11917	8.2
477.13019	12.4
487.18985	0.7
489.12982	11.2
507.14078	46.0
525.15094	100.0
526.15973	1.9
543.19696	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	543.133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12753	0.4
53.82505	0.4
70.46862	0.6
70.47183	1.4
78.78872	0.4
120.99344	0.7
187.89099	0.6
201.14624	0.6
212.08240	0.5
312.98917	0.6
363.06973	2.4
381.07910	10.1
478.35120	0.6
543.13269	100.0
544.13428	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	7.4
66.17370	0.8
69.03438	1.9
70.06598	3.1
71.52041	1.4
81.03426	1.0
84.08160	1.3
85.02909	2.2
91.05488	1.0
97.02924	1.3
103.05505	0.9
106.06536	1.1
107.05007	1.0
116.05030	0.9
116.11562	0.8
118.06580	1.2
121.02889	1.1
128.07062	1.6
130.06572	0.8
131.04909	1.6
132.04488	0.9
133.05272	0.8
133.06558	1.6
134.06029	4.8
144.04498	1.1
145.02899	1.1
146.05998	5.2
147.04453	1.4
148.03925	1.1
148.07594	2.8
151.03941	1.5
154.05022	5.7
155.05313	1.3
158.06032	1.9
159.04437	1.4
160.07631	5.0
161.06024	1.9
162.05525	77.1
163.03952	1.8
171.04333	1.0
172.07576	1.8
173.06012	1.1
174.03191	0.8
174.05550	3.0
175.03940	1.8
176.07080	10.0
177.05508	2.2
182.06155	0.9
182.18126	0.8
184.07568	1.1
185.07310	0.9
186.05507	2.2
187.03935	2.1
188.07095	1.2
189.05440	1.2
190.05072	1.3
193.04941	1.2
196.07831	0.9
198.05550	1.4
199.03928	2.1
200.04800	0.9
201.05495	1.1
202.05063	3.7
203.03418	2.1
204.04300	1.1
205.05116	1.5
211.04022	0.9
212.07112	1.4
213.05560	1.8
214.05031	14.1
215.03583	1.1
216.04378	1.7
216.06598	3.3
217.05037	2.9
220.05917	1.8
225.05484	1.0
226.04985	1.4
228.06654	1.9
229.04991	3.8
230.05948	1.4
230.08130	2.2
231.06622	0.9
232.06081	41.4
240.06532	4.1
241.04976	1.1
243.06590	2.4
244.06055	10.8
246.07683	2.0
247.06004	1.9
252.06567	1.0
254.08192	2.1
256.06088	3.3
258.05151	1.3
258.07660	7.3
262.07138	14.6
268.06073	2.3
271.06064	2.5
272.09216	12.4
280.06006	2.4
282.07700	2.7
284.05725	1.9
286.07138	23.0
289.07089	1.7
292.06314	1.3
292.09412	1.0
298.07071	15.4
299.09659	0.9
300.08768	5.9
310.07199	7.2
316.08237	1.7
320.09103	0.9
328.08185	13.2
346.09341	5.3
351.09784	1.4
363.09891	1.3
364.10458	1.2
365.11432	1.5
375.09909	1.7
376.11026	1.0
380.10114	1.3
381.10983	1.5
393.10858	37.6
405.11066	1.4
408.76782	0.8
419.13007	1.4
423.11893	10.0
433.13995	2.7
443.12469	2.3
447.11926	37.8
459.11893	5.1
461.13086	3.0
471.11990	9.1
477.12988	12.2
479.14554	1.0
489.13049	13.5
507.06439	1.8
507.14069	50.1
525.15131	100.0
526.16504	3.1
543.15930	2.0
543.22650	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	543.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50336	1.0
56.05028	1.1
56.96570	21.5
57.03440	1.6
68.92978	1.2
69.03438	2.4
70.06584	3.3
70.98126	4.2
71.95279	1.2
73.02911	2.1
81.03402	1.2
84.08169	9.1
84.96050	7.4
85.02912	5.9
86.09702	1.8
97.02898	4.0
97.99243	0.9
98.97594	58.3
100.99162	2.1
110.97578	20.5
112.99152	18.1
115.00716	1.1
116.07123	3.2
116.98634	20.4
123.05581	1.5
124.95434	1.7
124.99160	1.7
127.00679	1.2
127.03896	1.7
128.98616	19.2
130.08661	5.1
130.93352	2.0
131.00182	17.7
131.01820	1.5
132.10231	1.0
134.99614	5.5
136.06229	1.5
140.98624	3.5
142.96524	1.3
143.00165	8.2
144.98071	1.5
145.01805	3.5
145.04996	1.5
146.99635	11.5
149.01248	8.4
152.94965	1.2
152.98665	2.2
153.00735	1.0
155.02112	1.5
156.98038	1.3
157.01828	1.5
158.99672	15.3
161.01266	6.2
161.02817	1.5
162.99179	1.1
163.02779	3.5
163.03993	1.8
165.00793	2.4
170.96089	1.6
170.99675	12.3
172.94356	1.9
172.97655	2.7
173.01263	16.8
173.02869	1.5
174.99152	2.9
175.02809	3.7
177.00696	7.6
177.04254	1.5
177.85626	1.0
179.02335	1.5
181.56657	1.0
182.99712	7.5
184.01434	1.2
184.97603	3.3
185.01332	2.2
185.02933	1.2
186.04494	1.2
186.99174	2.0
187.02766	2.0
188.97113	5.3
189.00777	11.7
189.02411	1.7
190.95425	1.5
190.98718	2.2
191.02290	9.2
193.03932	3.9
201.00714	19.9
202.98770	4.9
203.00499	1.1
203.02310	5.8
205.00275	3.0
205.03976	1.4
206.03024	1.7
206.98070	2.2
207.01814	2.5
211.04852	3.1
213.00703	2.0
214.95517	1.9
214.98805	1.3
215.02423	1.3
217.00333	1.7
218.94888	1.3
219.01784	30.3
220.99738	2.2
223.01270	1.5
226.95494	1.5
230.98242	4.2
231.01854	2.9
232.96490	3.5
232.99782	2.7
233.03381	3.1
235.01324	1.6
236.95898	1.4
237.02873	24.2
238.03186	1.1
243.01778	2.3
244.96938	1.0
244.99605	4.7
245.05171	3.1
247.04956	1.4
248.99174	1.6
249.02930	2.4
251.04712	1.1
256.96747	1.8
261.02856	20.2
262.98212	1.5
263.00818	7.6
263.04092	1.1
264.92282	1.3
265.05420	1.1
267.03452	1.1
268.99341	1.4
273.02844	1.5
274.97845	1.3
275.04428	1.4
277.02322	2.4
277.06104	1.6
279.03909	13.3
281.01953	3.3
281.05518	3.2
290.97638	1.1
291.01010	1.2
291.03818	5.9
293.05518	2.8
303.03842	2.2
305.01913	4.1
305.05585	11.3
307.06989	2.7
308.97858	1.0
312.04440	1.2
317.13943	1.7
321.04996	16.7
321.09042	3.9
323.03082	1.8
323.06494	10.2
325.08170	2.5
330.99908	1.3
333.01508	1.7
333.05005	1.5
335.02740	1.3
335.06497	1.5
337.04431	4.6
337.08047	31.6
345.05240	1.7
349.00784	1.7
355.09174	15.8
358.99033	2.4
363.02313	1.9
363.06335	7.8
365.07742	1.7
377.00436	3.6
381.07697	19.4
383.08643	3.2
391.01791	5.8
399.08228	2.3
409.02921	4.5
423.08264	9.8
449.10730	1.3
451.07797	2.0
453.09436	3.3
483.10080	3.7
501.11087	1.7
511.09744	7.5
543.13318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	7.3
69.07072	5.2
71.52885	6.6
72.08162	5.3
79.05480	13.8
81.03401	7.7
81.07027	8.8
85.06538	11.4
91.05465	19.1
93.07042	92.7
94.07323	4.0
95.05002	4.4
95.08607	10.7
95.14287	3.9
105.07023	9.4
105.20915	4.0
107.08599	46.5
108.05811	3.6
110.07150	4.9
129.06979	3.8
135.11702	100.0
136.05138	4.2
137.05994	53.1
149.05928	5.3
151.07547	46.3
151.11183	4.3
160.05208	5.9
161.06091	5.4
172.08720	3.8
174.06770	17.2
175.07579	44.3
179.04311	3.8
180.83354	4.3
187.07570	13.1
188.08313	4.4
189.09152	53.5
196.69038	4.1
201.09100	18.1
205.08745	8.7
219.10152	9.0
228.23152	6.3
235.09639	9.6
249.11322	11.1
276.23364	6.9
277.23459	7.2
284.10361	4.9
294.23932	5.6
337.14337	16.9
355.15234	13.1
365.87659	4.7
369.03760	4.1
407.78799	4.4
524.39185	7.1
542.30554	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	542.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78445	6.4
69.22240	28.9
69.22661	26.2
79.05487	18.7
81.07048	10.9
90.84939	6.7
91.05473	20.2
93.07054	42.5
97.06530	6.0
103.05477	5.9
107.04946	7.6
107.08614	44.6
131.04919	7.0
135.04381	8.4
135.11705	23.8
137.05988	89.5
143.04878	6.9
151.07544	49.9
153.12753	20.1
157.06444	7.6
159.04379	7.9
160.05093	13.5
174.06741	32.8
175.07582	89.9
187.07585	23.4
188.08470	9.2
189.09128	100.0
201.09122	31.9
203.10689	11.2
205.08611	15.2
219.10202	20.6
231.10121	14.9
235.09584	9.3
249.11180	22.7
279.11090	6.4
284.10480	14.1
285.11169	11.4
305.11615	6.5
319.62988	6.1
337.14178	25.3
355.15436	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	542.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.6
55.93893	6.7
68.82851	7.0
69.17293	68.7
70.06551	8.1
72.08127	8.9
79.05509	19.5
81.07054	10.5
87.90871	6.7
88.82606	8.9
91.05508	9.0
91.86333	6.8
93.07059	37.5
95.08600	10.6
96.40518	7.4
107.08610	42.6
117.07011	10.7
117.34847	6.7
129.06964	9.3
133.10217	7.7
135.11710	22.8
137.05992	82.5
151.07552	71.1
153.12701	11.2
157.06564	8.2
160.05226	6.9
165.67441	7.3
173.99057	7.3
174.06781	23.6
175.07564	85.1
177.09178	6.8
187.07594	24.8
189.09094	100.0
201.09113	37.1
203.10620	13.4
205.08635	14.7
214.68867	8.5
219.10263	16.9
231.10117	11.4
249.11389	17.5
284.10471	12.2
285.11200	9.8
295.12991	7.6
306.12494	11.3
337.14261	30.9
355.15369	22.7
524.39136	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	542.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.4
56.88252	1.3
57.07079	3.4
59.04993	3.7
67.05502	5.9
69.07076	16.2
70.70000	2.6
70.70379	3.1
71.05002	25.2
73.06563	6.2
79.05502	13.8
81.03429	2.3
81.06590	2.3
81.07066	46.5
83.04993	5.3
83.08630	3.9
86.09687	2.1
91.05477	8.6
93.07054	41.6
95.04946	1.8
95.08614	9.4
97.06545	4.6
104.10754	10.3
105.07029	3.9
107.05006	1.4
107.08605	38.3
109.10184	5.6
115.05485	3.4
119.08608	1.5
120.22981	1.4
123.11730	1.8
125.13231	2.4
129.06996	3.3
135.04448	3.2
135.11707	56.5
136.05183	1.9
137.05986	33.9
143.04968	3.0
144.05685	2.4
146.98169	2.8
151.07559	28.4
153.12759	100.0
157.06474	2.1
158.07228	1.9
159.04324	2.4
160.05243	8.0
161.06151	1.7
172.05212	1.9
172.08914	2.5
173.05983	3.1
174.06741	14.1
175.07559	30.1
177.09123	2.3
187.07576	13.2
188.08389	2.8
189.09132	41.1
201.09146	12.5
203.10709	3.7
205.08604	5.0
219.10114	7.5
231.10205	6.0
235.09668	2.7
249.11270	5.2
254.09515	1.8
269.08142	1.6
271.28360	1.4
277.12320	1.9
284.10461	4.1
285.11185	2.5
291.10141	1.9
305.11780	3.7
306.12601	2.8
337.14337	9.5
354.57349	1.4
355.15353	6.9
383.56772	1.7
483.24609	6.5
542.31726	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	542.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.4
55.05515	9.1
59.05009	25.7
65.95300	3.7
67.05502	13.4
70.06604	3.8
71.05009	6.8
71.15858	6.1
72.08166	6.3
77.03920	3.4
79.05512	19.8
81.07066	69.9
83.91829	3.6
86.09707	7.3
87.04472	20.1
89.06057	4.8
91.05492	35.4
93.07056	100.0
95.04981	14.9
95.08604	11.7
95.77971	3.2
105.07042	50.8
107.08642	16.8
109.06512	8.7
109.10157	8.3
111.08109	31.6
115.05492	8.6
117.07031	6.8
121.10148	20.6
123.04450	3.7
123.11727	25.6
129.07018	11.2
131.04913	4.1
133.10158	35.7
135.04436	68.1
137.06003	45.4
143.04927	21.4
145.06465	11.1
149.05983	6.1
151.11205	38.2
157.06490	10.0
160.05191	8.8
169.12263	73.9
173.06015	67.3
175.07568	42.4
175.92856	3.3
185.05984	35.0
187.07545	18.9
189.09146	4.9
203.07065	21.2
205.08580	4.4
207.99890	7.8
215.06946	5.9
233.08031	17.7
243.92360	3.0
271.37167	3.6
309.11200	4.8
333.24713	3.7
339.12073	5.4
341.10162	4.7
542.31250	16.4
561.83942	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	542.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80826	1.1
52.60273	1.0
53.03959	2.2
55.05523	6.1
55.85661	1.0
57.07086	1.6
59.04994	3.1
62.18725	1.1
67.05498	4.6
69.06716	1.6
69.07070	11.6
70.20878	2.2
70.21270	3.1
71.05003	26.3
71.07377	1.2
73.06566	5.4
79.05499	11.5
81.03425	2.5
81.07068	44.9
83.04995	6.9
83.08645	2.8
84.05306	1.8
86.09694	3.3
90.88907	1.1
91.05488	9.2
93.07052	31.2
95.04991	1.9
95.08612	9.3
97.06548	4.5
97.17807	1.0
98.21397	1.4
104.10757	19.0
105.07029	2.1
107.04944	1.3
107.08606	34.3
109.06513	2.4
109.10144	6.2
111.08092	2.4
115.05485	2.7
119.08595	1.7
122.03678	1.3
123.11739	2.1
125.13282	2.2
129.07037	2.5
131.04973	1.6
131.08531	1.1
135.04404	2.8
135.11707	57.1
136.05212	1.6
137.05997	30.3
139.07568	1.2
143.04948	2.7
145.06516	1.7
146.98186	1.4
151.07567	24.3
151.08688	2.0
153.12762	100.0
157.06508	3.4
158.07294	3.1
159.04414	2.0
160.05228	6.6
162.78419	1.1
165.05540	1.3
172.08855	3.1
173.06032	2.9
174.06787	11.3
175.07574	29.4
177.09021	2.2
186.06677	1.3
187.07545	9.8
188.08263	3.2
189.09126	35.4
201.09131	13.9
203.10721	4.1
205.08612	5.9
217.08618	1.6
219.10201	9.0
231.10138	5.8
235.09714	4.3
241.08609	1.6
249.11253	5.4
254.09518	1.9
269.08154	1.1
284.10455	3.4
285.11267	4.6
291.10147	1.8
305.11719	4.2
306.12497	2.2
307.09659	1.3
325.14319	1.6
337.14456	8.6
355.15573	7.1
431.67142	1.2
448.42126	1.2
483.25092	7.1
495.83511	1.3
542.31677	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	542.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.8
52.96261	1.5
53.03955	6.7
55.05508	4.8
65.03934	3.7
67.05519	9.0
69.07065	2.8
70.06623	1.5
70.76651	3.7
71.04993	1.5
74.14278	1.7
77.03935	1.5
79.05505	10.9
81.03412	6.4
81.07078	11.0
81.57551	1.2
90.96687	1.4
91.05483	27.2
93.03423	1.6
93.07053	77.4
94.04235	1.7
95.04961	7.9
95.08615	18.6
97.06483	2.1
103.05466	3.5
105.04514	1.5
105.07037	9.0
107.08606	42.2
109.06520	3.8
109.10150	6.1
111.08099	1.9
115.05465	11.2
117.07021	4.0
119.08608	2.6
122.03638	2.7
123.11706	3.5
128.06261	2.2
129.07005	11.0
131.04910	6.4
133.10143	4.2
135.04430	100.0
135.11703	71.6
137.05991	49.9
143.04929	23.7
145.06490	13.8
147.04391	1.5
149.02367	1.8
151.03903	9.5
151.11191	2.7
153.05464	2.6
153.12773	3.1
157.06526	11.2
159.04395	2.0
160.05234	7.7
161.05983	6.3
163.07596	2.0
172.05147	2.5
173.06003	72.5
175.07571	39.7
185.05988	34.3
187.07556	21.0
189.09142	6.0
203.07019	24.1
203.08543	1.7
205.08551	6.7
211.07520	1.5
215.07024	6.1
219.08081	2.2
231.08028	2.7
233.08086	22.0
235.09715	3.7
247.07576	2.2
253.04922	2.7
259.07419	1.9
261.09088	1.9
263.10760	1.8
268.07336	3.2
269.08170	3.8
277.08554	1.8
289.08612	3.8
291.10104	4.1
309.11276	2.7
321.11194	5.8
337.10797	1.7
339.12234	7.8
355.11874	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	542.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93933	7.4
53.19172	8.7
54.53922	8.2
55.05503	18.4
57.07066	20.3
67.05507	31.3
69.07086	16.7
70.06602	13.1
71.04995	15.9
71.08636	9.9
71.52367	9.0
73.35339	7.2
79.05488	17.5
81.03433	10.4
81.07053	46.3
83.08648	11.1
85.06541	23.9
91.05474	17.0
93.07041	19.2
95.04943	11.3
95.08601	22.1
102.09168	8.7
105.07037	13.7
107.08577	44.8
109.06519	16.6
109.10184	53.2
123.11715	38.3
128.06204	9.3
129.07024	14.4
133.10098	15.7
135.04424	100.0
135.11710	31.0
137.05960	19.9
143.04938	8.7
143.66284	9.0
151.11188	94.7
153.12732	35.2
157.06512	19.0
169.12268	26.8
171.72260	9.0
173.06030	39.9
175.07550	12.3
185.06085	10.2
187.07671	18.9
203.07028	21.3
208.45413	8.3
215.07002	14.7
257.26620	16.7
298.23465	8.5
312.29581	13.0
517.94214	8.4
541.53741	64.9
542.35400	18.1
542.54144	20.0
543.37054	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	4.9
53.03951	4.3
55.04309	2.6
55.05504	4.0
57.78761	2.5
57.87594	2.5
59.05000	7.2
64.45365	2.3
65.03940	2.7
67.05505	15.2
69.07059	5.2
69.80706	12.9
77.65711	2.3
79.05492	13.8
79.81609	2.4
81.03436	5.6
81.07066	46.4
83.05004	3.0
91.05501	18.7
93.07048	29.6
95.04980	7.4
95.08631	9.4
98.21478	3.4
103.05445	3.0
105.07050	19.1
107.08628	12.3
109.06499	5.9
109.10149	9.1
115.05466	11.4
117.07008	2.7
121.10224	3.1
123.11709	20.3
125.92867	2.3
128.06224	2.5
129.07030	16.2
131.04929	4.3
131.08540	3.2
133.10181	14.9
134.82866	2.8
135.04425	100.0
137.05998	37.9
143.04884	20.1
145.06480	11.5
151.03935	3.6
151.11201	21.0
157.06506	14.1
159.08124	3.3
160.05234	2.6
161.06071	4.7
173.05997	80.6
175.07582	32.9
185.06003	32.0
186.06746	5.0
187.07526	28.2
189.09177	4.1
191.10612	2.7
197.06044	2.8
203.07048	31.1
205.08742	7.1
215.07039	16.7
231.08102	3.0
233.08078	37.9
235.09705	6.0
241.19308	2.5
248.08279	3.3
259.08081	2.5
292.17480	3.0
309.11401	3.9
310.12897	2.6
339.12158	7.5
542.35889	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	542.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76347	1.7
52.20426	1.8
53.03942	3.1
55.01869	4.0
55.05499	6.5
59.04990	6.2
65.03920	2.2
67.05510	16.5
69.03473	1.8
69.07064	3.7
69.81136	9.9
70.06588	3.2
71.05013	2.8
74.92261	2.2
77.03950	1.8
79.05505	14.1
81.03413	4.3
81.06590	3.0
81.07059	46.1
83.04976	3.2
83.08591	1.9
84.58640	1.9
87.17021	1.7
87.90192	1.8
91.05479	18.6
93.07048	30.2
95.04967	6.7
95.08566	3.8
98.20786	2.0
103.05473	1.9
105.07040	16.7
107.08604	11.9
109.06577	3.0
109.10164	8.9
111.04474	1.8
111.53432	1.7
111.76237	1.9
114.31379	2.0
115.05446	6.8
117.07005	3.9
119.08547	2.1
123.08113	2.5
123.11729	18.8
128.06236	3.4
129.07014	15.0
131.04892	5.7
133.10141	15.5
135.04420	100.0
137.05978	42.7
143.04932	20.3
145.06487	13.3
149.02309	2.4
151.03909	4.0
151.11174	16.1
157.06488	12.4
159.04437	2.9
159.08020	3.2
160.05235	2.8
161.05978	5.4
161.25160	1.9
167.69875	1.8
173.05994	84.3
175.07579	27.0
185.05975	31.3
186.06728	3.1
187.07590	23.1
187.68549	1.7
189.09085	5.6
191.10674	1.9
197.05962	2.0
203.07030	33.3
203.08755	4.1
205.08624	7.0
215.07024	15.5
233.08096	30.1
234.03896	1.8
235.09702	5.1
269.08060	2.4
289.08667	2.3
309.11142	3.4
321.11227	6.4
339.12225	9.9
355.11765	3.1
371.42233	2.1
421.16043	2.3
437.19870	2.0
489.22830	2.6
542.35352	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	542.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.05505	5.2
56.15793	1.4
66.08265	1.5
67.05499	6.2
68.95798	1.8
69.07072	33.2
69.21177	11.0
69.21585	3.1
71.04999	20.8
72.47830	1.2
73.06551	2.7
79.05489	4.0
81.03419	3.4
81.07074	9.1
90.71539	1.3
91.05476	4.8
93.07044	4.0
94.04181	1.5
95.08603	2.1
97.06536	42.8
101.05981	2.0
103.05482	4.6
105.07026	2.7
107.08607	9.5
109.06532	3.8
109.10163	11.5
111.04426	1.8
114.93361	1.4
115.05465	12.9
117.07009	4.1
121.10142	2.9
122.03675	2.5
123.04394	1.7
123.11723	12.3
127.54137	1.3
128.06255	1.6
129.07033	13.5
131.04935	5.1
133.10141	4.7
135.04422	92.8
137.05989	57.0
143.04922	30.0
145.06499	16.1
149.02361	1.4
151.03961	4.4
151.11226	13.3
153.05472	2.0
157.06520	12.7
159.04443	2.6
160.05200	7.9
161.05992	5.6
169.12250	12.1
172.05197	1.8
173.05997	100.0
175.07559	56.0
185.06001	36.4
187.07549	28.2
189.09142	6.4
203.07014	35.2
203.08618	3.6
205.08594	12.3
215.07066	9.6
217.08604	4.2
219.08034	3.2
231.08084	5.0
233.08102	37.9
235.09532	8.4
237.05434	1.8
249.08994	1.7
253.04886	1.8
261.09143	3.2
263.10486	1.8
268.07364	3.1
269.08148	7.2
277.08621	1.7
281.07990	4.0
289.08716	7.1
291.10074	4.6
309.11154	4.6
321.11331	10.8
339.12256	15.9
438.40082	1.5
444.69238	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82500	1.6
53.03944	3.4
55.01865	3.0
55.05494	8.3
57.07071	1.7
59.04996	2.8
65.03934	2.8
67.05503	14.2
69.07079	24.2
69.94627	9.7
71.04995	19.6
73.06545	2.0
76.00522	1.8
79.05503	13.4
80.92267	1.8
81.03416	7.5
81.07062	33.2
83.04964	2.3
84.08113	1.8
85.30381	1.9
88.10445	1.8
91.05483	13.2
93.07043	13.7
95.04969	6.1
95.08598	7.4
97.05938	1.8
97.06539	27.4
103.05468	3.8
105.07049	12.7
107.08602	30.4
109.06508	6.0
109.10165	22.7
111.08075	9.6
115.05466	12.2
117.06998	5.6
119.08543	2.2
121.10149	3.2
122.03630	3.7
123.08021	2.2
123.11715	30.4
129.07043	11.8
129.07878	2.5
131.04973	9.4
131.08598	2.9
133.10136	16.9
135.04422	100.0
135.11656	2.4
137.05989	50.6
143.04915	24.0
145.06476	13.3
148.46939	2.0
149.02315	8.0
151.03886	5.2
151.07596	3.3
151.11197	26.5
157.06520	10.0
159.04385	1.8
160.05212	7.0
161.05980	6.1
163.07469	2.3
169.12254	15.2
173.06004	74.3
174.06740	2.5
175.07567	45.0
185.06000	33.7
187.07550	27.2
189.09137	5.5
201.05595	2.0
203.07030	29.7
203.08733	3.5
205.08611	9.2
209.05876	2.2
215.06979	4.8
217.08614	3.4
219.08141	2.8
231.07945	3.1
233.08098	25.6
235.09662	8.3
249.09059	2.7
251.10748	2.1
261.09088	2.7
268.07321	3.9
269.08032	7.3
277.08499	2.5
281.08411	2.0
289.08615	5.2
307.09827	2.6
309.11154	3.4
321.11142	6.6
339.12192	11.4
352.86389	1.7
355.11691	2.2
490.44955	1.9
542.35431	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	542.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98359	0.3
65.46634	0.3
69.89570	0.8
69.89988	0.6
70.06593	0.4
79.05495	0.9
84.08147	0.3
85.02916	0.6
87.98596	0.3
90.90066	0.3
91.05470	0.9
93.07047	1.4
94.61526	0.3
95.04964	0.3
98.20793	0.4
103.05470	6.1
107.04953	2.1
119.04946	1.2
120.08113	100.0
121.06523	0.3
131.04924	2.3
135.04446	0.6
136.06210	0.6
137.06013	0.8
147.04445	2.1
149.06001	2.2
162.21126	0.3
162.67976	0.3
163.03874	0.6
163.70828	0.3
166.08650	50.5
167.07065	1.3
179.07010	2.5
220.17081	0.3
288.83215	0.3
296.17001	0.3
311.11182	0.5
340.77045	0.3
363.10120	0.3
405.17999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14819	0.5
53.46546	0.5
55.01872	0.7
55.06450	0.5
57.03435	0.5
61.02915	1.2
69.03429	3.6
70.06600	17.1
71.52174	0.8
72.08164	1.0
73.02911	0.5
81.03405	2.0
82.06583	1.2
84.04475	0.6
84.07700	0.4
84.08124	3.1
85.02913	10.4
86.09743	0.8
87.04488	0.7
88.07590	0.7
91.03943	0.8
95.30755	0.4
97.02892	3.9
99.04446	1.0
102.05517	0.4
105.07090	0.6
109.02880	1.7
115.05429	0.6
116.07101	21.4
127.03920	2.3
128.06255	1.0
128.07091	7.7
129.07036	1.6
129.10321	0.5
130.08531	0.5
131.08560	1.1
133.06474	0.5
137.05966	0.8
141.06985	5.2
143.08577	1.0
145.04979	1.7
145.10184	0.5
149.05910	0.5
154.07776	5.3
155.08427	0.6
157.06458	1.0
157.10074	0.9
159.08102	0.8
159.11661	0.8
161.05974	1.5
163.03915	0.5
163.07552	0.6
165.05508	0.6
167.08435	0.6
168.05727	3.3
169.06496	6.8
169.10136	19.8
171.08041	0.9
171.11606	0.8
175.07558	1.2
179.08589	1.8
182.07364	0.6
185.09624	7.2
186.06770	5.5
187.07570	1.7
187.11177	2.0
193.08537	0.9
197.09648	19.9
199.11131	1.5
210.06654	0.6
215.10689	100.0
217.12234	10.3
219.97108	0.6
227.10565	0.7
233.11739	56.3
235.13324	3.8
239.10686	1.3
248.95576	0.5
253.12314	1.0
257.11740	3.1
260.10776	0.5
265.14252	1.1
275.12927	0.6
299.13000	1.2
311.12851	0.6
314.12405	0.5
332.13507	2.2
343.15085	0.5
378.02371	1.4
395.17035	1.3
442.71896	0.6
524.12811	0.8
542.20770	1.4
542.29419	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4773
Annotation	Tetrahydro-beta-carotene/ eta-Carotene
Peak:m/z	Relative Intensity
53.03941	4.0
55.05518	14.0
57.07084	8.8
58.05387	1.3
66.36606	1.1
67.05187	1.7
67.05511	22.1
69.06734	2.0
69.07073	27.4
69.81657	6.1
70.06570	1.7
79.05501	17.3
81.07063	72.9
83.08236	1.1
83.08627	12.8
89.06030	1.4
91.05489	15.8
93.07050	38.4
95.04955	1.6
95.08615	55.3
97.10152	5.7
98.20808	1.4
102.09171	1.7
102.66685	1.1
105.07043	31.6
107.08605	42.1
109.10167	42.9
111.11723	3.7
117.07000	4.1
119.08595	35.9
121.09349	2.1
121.10155	34.6
123.11710	21.0
131.08578	13.9
133.10139	21.8
135.11703	27.1
137.13286	10.2
141.06998	1.8
142.07735	1.2
143.08539	9.0
144.09409	1.6
145.10147	20.0
147.11699	23.1
149.13274	16.0
151.14848	2.5
155.08557	3.4
156.09329	1.6
157.10149	15.6
158.10881	1.6
159.11716	20.5
161.13258	18.8
163.14844	9.2
169.10123	5.1
171.11696	10.9
172.12448	2.1
173.13249	15.3
175.14812	19.4
177.16365	8.4
181.10152	1.4
183.11755	6.7
184.12540	1.5
185.13300	10.0
187.14813	11.1
189.16347	8.8
191.17870	1.8
195.11650	3.2
197.13248	7.4
199.14821	9.8
201.16437	12.4
203.17941	5.7
208.60413	1.3
209.13258	3.0
211.14850	7.4
213.16412	7.3
215.18060	7.1
217.19511	3.5
219.21027	1.5
223.14798	2.5
225.16415	5.3
227.17999	8.3
229.19543	4.6
231.21147	2.8
237.16280	3.1
239.17970	5.5
241.19507	6.2
243.21086	5.0
249.16467	2.5
251.17950	3.5
253.19534	5.8
255.21098	4.2
256.26355	2.4
257.22659	4.0
257.26593	2.6
265.19513	2.3
267.21069	4.2
269.22690	5.4
271.24057	2.4
279.21078	2.1
281.22653	4.9
283.24188	4.7
293.22598	2.7
295.24182	2.5
297.25638	2.8
305.22488	1.5
307.24081	1.5
312.29810	3.9
321.25705	1.7
323.27271	2.9
325.28748	2.6
335.27658	1.6
337.28760	2.7
340.92102	1.4
349.28876	1.8
351.30527	1.3
361.28918	1.3
363.30551	2.7
377.32144	1.5
389.31812	1.5
391.33395	2.1
393.35306	1.8
402.14969	1.2
403.33572	2.5
405.35526	2.4
417.34915	2.6
431.36633	1.6
459.39627	1.9
471.39551	1.6
472.40625	2.6
473.41693	1.7
541.47491	100.0
541.54034	10.6
542.47333	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4773
Annotation	Tetrahydro-beta-carotene/ eta-Carotene
Peak:m/z	Relative Intensity
53.03939	3.0
55.05518	15.6
57.03428	1.0
57.07081	10.0
65.03937	2.6
67.05184	1.9
67.05513	28.0
69.07076	36.1
69.52386	1.2
70.06593	1.8
70.11520	3.3
71.08614	2.8
77.03957	1.1
79.05498	16.8
81.07063	64.7
83.08625	15.2
85.10193	1.3
86.92982	0.9
88.07645	2.7
89.06046	2.8
91.05489	19.0
91.85156	1.1
93.07052	40.2
95.04977	2.6
95.08618	62.8
97.10178	6.1
98.21439	1.4
102.09163	2.1
103.05438	1.2
105.06322	1.3
105.07040	36.4
107.08607	48.3
109.06549	1.1
109.10163	48.2
111.11717	3.7
117.07003	4.7
119.08596	34.8
121.10154	36.0
123.11717	22.0
128.06175	1.6
129.06969	3.4
130.07744	1.9
131.08583	12.2
133.08603	1.5
133.10144	22.5
135.11708	27.1
137.13278	9.5
141.07077	1.2
142.07794	4.2
143.08585	8.7
144.09341	1.5
145.09077	1.5
145.10146	18.2
147.11697	25.0
149.13271	17.4
151.14839	1.9
155.08559	5.6
156.09364	2.5
157.10147	15.0
158.10927	2.3
159.11708	26.0
161.13266	20.0
163.14815	8.6
165.16472	1.4
169.10191	6.0
170.10977	1.6
171.11702	15.0
172.12485	1.4
173.13283	16.9
175.14848	14.2
177.16394	6.2
181.10132	3.1
183.11702	8.8
185.13293	11.7
187.14822	13.9
189.16394	9.2
191.17953	4.4
193.10066	1.4
194.10866	1.3
195.11703	3.4
196.12378	1.2
197.13330	7.5
199.14838	11.6
201.16406	9.4
203.18034	6.5
205.19534	1.7
207.11804	1.4
209.13263	4.5
211.14812	8.6
213.16417	10.2
215.17953	9.3
217.19556	3.3
221.13428	1.2
223.14845	4.5
225.16440	6.7
227.17934	8.2
229.19566	5.7
231.21147	1.9
235.14864	1.9
237.16418	3.8
239.18004	6.2
241.19528	8.0
243.21083	4.7
245.22598	2.0
249.16463	1.3
251.17975	3.5
253.19492	3.7
255.21149	5.7
256.26376	3.2
257.22665	3.5
257.26819	3.0
263.18054	1.7
265.19476	1.6
267.21082	4.6
268.21835	1.2
269.22662	4.8
271.24133	2.7
279.21213	2.6
281.22696	3.5
283.24200	3.6
285.25635	1.4
291.21045	1.2
293.22491	2.6
295.24081	3.9
297.25769	2.9
307.24307	2.2
309.25534	1.9
312.29724	3.8
321.25803	2.3
323.27380	3.0
325.28854	1.5
335.27353	1.9
337.28961	3.7
347.27139	1.5
349.28821	2.7
351.30707	1.9
361.28784	1.4
363.30389	2.9
365.32147	1.3
377.31796	2.9
379.33514	1.4
391.33765	1.8
403.33560	2.7
405.35049	2.5
417.35193	2.8
431.36700	2.9
445.38388	2.0
459.39777	2.9
472.40457	2.4
485.41379	4.3
496.31924	1.2
499.42734	1.1
541.47473	100.0
541.54089	12.4
542.48407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.05495	2.4
58.06601	4.0
65.24886	1.6
67.05522	10.3
69.07059	7.5
70.65370	3.6
72.04559	1.9
72.08176	9.2
79.05074	3.5
79.05500	49.1
81.03414	2.3
81.07071	20.4
83.04993	2.7
90.09188	3.8
91.05486	28.6
93.07065	14.8
95.04962	9.8
95.08581	2.4
97.06528	3.5
98.86681	2.0
105.07040	34.7
107.04952	8.4
107.07873	3.1
107.08597	38.1
109.06498	5.2
115.05473	2.0
117.07002	3.4
119.08583	15.4
121.06514	2.1
123.77906	1.8
129.06993	3.7
131.08607	9.5
133.06502	2.2
133.10178	12.0
137.05974	2.2
143.01675	2.0
145.10120	7.0
147.08049	4.5
147.11694	35.5
149.13272	2.5
157.10124	3.4
159.11676	3.1
175.11166	10.5
176.14406	2.1
182.11951	1.8
192.13823	2.4
193.92157	1.9
204.13857	17.8
208.13371	4.3
246.18509	6.1
260.20135	100.0
264.19617	12.0
278.21146	23.5
365.45163	2.2
523.35187	3.1
541.27484	3.0
541.35962	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	541.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.8
53.47514	1.4
55.01874	9.6
55.05516	24.5
55.22186	1.7
57.03428	5.3
57.07081	10.0
61.02916	5.5
65.03961	2.3
67.05508	31.5
68.99788	2.8
69.03432	39.0
69.07070	47.7
70.06593	2.7
71.01352	1.9
71.04985	7.4
71.08628	3.3
71.31136	1.4
71.53146	2.0
73.02896	2.8
79.05141	1.5
79.05501	18.6
81.03424	34.8
81.07063	100.0
83.04992	7.7
83.08626	20.9
85.02911	48.2
85.06553	11.3
87.00842	18.9
87.04450	1.9
91.05482	15.5
93.07047	28.6
95.04970	7.3
95.08617	86.5
97.02885	17.5
97.06536	13.0
97.09631	1.5
97.10153	9.5
99.04465	11.1
99.08082	4.5
105.01878	10.6
105.07030	20.1
107.04955	5.8
107.08599	32.9
109.02886	22.0
109.06506	7.2
109.10160	50.1
111.04436	5.2
111.08104	8.8
111.11710	10.3
113.06021	1.6
115.03944	9.0
117.01824	1.9
117.07008	5.7
117.90462	1.7
119.04879	1.7
119.08587	14.6
121.06512	4.3
121.10145	21.4
122.03610	1.8
123.04436	4.2
123.08059	5.9
123.11718	32.1
125.02358	1.7
125.09615	3.8
125.13284	6.8
127.03932	47.4
128.06174	1.7
129.01837	4.1
129.07008	5.1
131.08574	7.2
133.10147	14.7
135.04414	4.5
135.08020	5.6
135.11707	21.0
137.05989	23.2
137.09625	5.4
137.13271	29.0
139.07455	2.1
139.11127	7.8
141.09094	2.2
143.08580	3.1
145.04947	7.3
145.06502	2.8
145.10118	10.2
147.02879	2.9
147.08041	3.6
147.11697	10.2
149.02347	5.8
149.09612	4.9
149.13263	15.9
151.07587	8.2
151.11203	4.1
151.14832	5.8
152.07898	2.1
155.08586	2.8
155.10713	2.2
157.10143	4.2
159.02884	5.7
159.08080	2.8
159.11667	8.0
161.04465	2.3
161.09595	3.2
161.13251	7.1
163.03812	2.8
163.11180	5.4
163.14790	9.5
165.09122	6.7
165.16484	3.2
167.07014	1.5
171.11609	3.3
173.09627	4.7
173.13243	5.4
175.07455	2.0
175.11180	3.1
175.14857	5.3
177.05406	1.6
177.12791	2.7
177.16370	5.3
179.14308	1.5
183.11710	3.2
185.13214	2.5
187.11108	2.1
187.14862	3.5
189.03900	2.2
189.09132	1.7
189.16345	2.1
191.14325	1.8
191.17874	3.7
195.06479	2.1
199.14810	3.9
201.03894	2.8
201.16312	2.6
203.17931	3.3
205.19470	2.8
213.03961	2.7
217.19350	1.8
219.04982	3.2
219.13823	1.8
231.04979	15.5
249.06133	3.3
275.20016	4.6
275.27301	4.1
285.25577	2.0
291.26950	2.7
293.21140	5.7
293.28290	8.4
295.35391	1.7
303.26773	2.8
305.28391	2.1
315.26917	2.8
317.28345	2.4
325.10690	4.1
337.10565	1.9
359.29483	4.0
365.28415	2.8
371.29401	1.6
383.29562	12.1
401.30588	8.2
409.02637	1.7
419.31534	2.3
469.29370	2.5
487.30670	9.4
505.31726	10.2
523.32239	5.5
541.24249	5.2
568.88708	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56030	0.8
58.06607	14.7
59.06949	1.6
60.05365	1.2
60.05654	20.5
70.06599	48.3
70.55252	2.1
71.04993	2.3
71.06905	2.2
72.08147	1.7
73.38651	0.7
88.07594	0.8
91.01439	0.7
98.21506	0.8
99.27058	0.7
112.08739	2.3
114.05547	25.3
115.05870	7.2
116.07107	15.4
130.09767	7.6
143.56392	0.8
157.10953	1.5
158.09285	6.7
160.07605	3.4
161.07941	2.1
174.07233	1.1
174.08762	28.6
175.09058	9.5
175.11919	100.0
226.05551	0.8
242.92024	0.9
322.12927	0.9
367.18604	4.6
368.18973	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.3
55.01879	9.5
55.05514	25.2
55.59455	1.8
57.03422	8.1
57.07083	8.8
60.05939	1.6
61.02925	4.0
67.05506	32.0
68.99799	5.5
69.03090	3.4
69.03438	55.3
69.07078	47.1
69.07456	2.3
69.80792	6.0
69.81200	3.1
71.05010	10.2
71.08607	5.4
73.02914	3.9
79.05502	18.9
80.74698	1.7
81.02989	2.7
81.03428	37.9
81.07065	100.0
83.04975	7.2
83.08154	2.2
83.08624	24.8
85.02913	53.8
85.06555	11.6
85.10200	1.9
87.00835	23.0
87.04472	2.4
91.05479	13.2
93.06487	2.6
93.07057	37.0
95.04987	10.0
95.08617	89.2
97.02911	18.5
97.06532	13.8
97.10165	13.4
98.20883	2.8
98.63383	2.1
99.04472	15.1
99.08085	5.1
103.03957	2.7
105.01889	15.9
105.07036	21.4
107.04944	3.0
107.08614	36.9
109.02888	27.3
109.06553	3.9
109.09487	3.0
109.10173	45.8
111.04444	8.0
111.08102	10.7
111.11706	11.7
113.09669	1.8
115.03928	7.5
117.07009	5.0
119.04926	2.1
119.08581	15.9
121.06495	4.5
121.10139	17.9
123.04414	3.8
123.08060	4.0
123.11723	33.0
125.09621	4.1
125.13303	4.9
127.03928	62.5
129.01878	3.4
129.07021	4.0
131.08618	9.5
133.06497	2.1
133.10129	13.7
135.08049	5.1
135.11710	15.5
137.06006	3.8
137.09608	7.5
137.13264	26.0
139.11198	2.1
143.08556	4.1
145.04945	10.4
145.06465	2.4
145.10179	12.7
147.02937	3.5
147.08041	5.0
147.11688	12.5
149.09624	3.3
149.13272	27.5
151.07521	2.5
151.14812	7.7
157.10207	4.1
159.02919	7.7
159.08109	2.3
159.11647	9.4
161.09654	4.3
161.13286	8.2
163.07492	1.8
163.11194	3.0
163.14821	13.6
165.09129	8.0
165.16362	2.0
167.14343	4.5
169.10132	3.3
171.11703	4.1
173.09714	2.3
173.13246	8.2
175.11156	3.8
175.14838	4.1
177.09152	2.4
177.12700	2.0
177.16399	5.7
179.17981	3.0
181.10219	2.3
183.11774	2.5
185.13277	3.6
187.14801	3.4
189.09029	2.2
189.12714	3.9
189.16354	4.3
191.14314	3.2
191.18060	2.6
199.14764	4.9
201.03996	1.9
201.12749	2.5
201.16435	3.4
203.18039	3.6
205.19492	3.8
213.03944	3.5
215.07193	2.7
215.14432	2.6
217.15939	2.8
219.04834	2.5
219.21135	2.8
231.05042	21.7
233.15263	2.6
249.06076	2.8
257.19052	4.8
259.09549	3.3
273.25760	2.7
275.20111	16.2
275.27332	3.9
285.25809	2.1
291.26981	2.9
293.21164	8.3
293.28375	11.0
299.26871	1.9
303.26767	2.4
305.28381	2.4
317.28394	2.8
333.28064	2.2
341.28699	2.2
359.29474	5.2
365.28229	4.5
383.29520	13.8
401.30490	5.8
419.31244	3.2
487.30621	11.4
505.31412	7.5
523.32404	6.1
541.16626	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01863	6.4
55.05513	11.2
57.03429	7.0
57.03684	1.4
57.07075	4.2
59.04978	2.2
61.02932	2.0
65.03943	1.9
67.05511	14.3
69.03142	1.5
69.03436	18.2
69.07072	11.5
69.10455	1.7
70.51543	1.8
70.51892	4.1
71.04993	7.8
73.02899	2.6
79.05504	15.6
80.92825	1.4
81.03053	1.7
81.03428	17.7
81.07067	24.4
83.04993	14.2
83.08607	5.7
85.02911	23.0
85.06561	16.0
87.00822	8.8
91.05490	19.2
93.07056	29.0
95.04971	7.3
95.08057	2.7
95.08621	35.0
97.02910	8.0
97.06515	3.4
97.10184	3.3
98.21358	1.8
99.04464	5.6
99.08082	4.2
105.01869	5.0
105.07047	28.6
107.04968	10.0
107.08613	32.3
109.02902	13.0
109.06505	5.8
109.10168	15.3
111.04439	1.8
111.08057	7.0
113.09647	23.1
117.07033	4.2
119.08592	30.1
121.06479	3.9
121.09448	2.0
121.10170	22.2
123.08089	13.2
123.11712	7.8
123.12471	1.6
125.09626	6.7
127.03899	13.8
128.06201	1.8
129.01865	1.7
129.07022	3.4
130.07799	2.9
131.08611	17.0
133.06548	3.1
133.10158	29.6
135.08073	13.4
135.11694	18.1
135.19728	1.7
137.08667	2.5
137.09647	31.7
139.11200	2.8
142.07791	2.8
143.08569	6.4
144.09351	1.8
145.05013	3.6
145.06367	2.0
145.10136	15.1
147.08064	7.1
147.11676	13.5
149.09604	8.5
149.13297	3.4
151.07539	6.0
151.11154	4.3
153.09169	2.5
157.10135	9.6
159.02974	3.9
159.08113	3.6
159.11720	22.3
160.12410	1.9
161.09584	6.9
161.13268	5.4
163.11203	20.3
163.14824	2.5
165.09129	35.5
167.10666	3.9
169.10095	2.1
171.11700	4.9
173.09616	2.8
173.13263	25.0
175.11176	5.7
175.14828	9.9
177.12761	5.8
179.10689	2.4
179.14447	2.3
183.11754	3.6
187.11218	3.6
187.14853	4.7
189.12802	5.8
191.14352	8.2
193.15909	5.5
197.13298	3.1
199.14844	11.2
201.12776	10.5
205.12335	2.2
205.15843	3.1
207.13785	4.4
213.16304	2.5
215.14334	5.0
215.17946	5.6
217.15881	12.8
219.13803	2.8
229.19479	3.2
233.15421	2.1
237.14960	2.1
239.18060	4.5
245.19067	3.0
247.20491	2.7
257.19049	29.1
263.20184	7.9
265.21713	2.2
275.20090	100.0
281.15320	2.1
293.21124	40.3
305.21133	1.7
383.22275	2.0
487.23206	2.6
505.24997	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	541.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.0
55.01871	4.7
55.05518	16.0
57.03427	4.7
57.07072	2.1
58.43695	1.9
59.04995	3.9
65.03953	2.4
67.05511	21.0
68.99776	2.5
69.03432	21.1
69.07069	12.9
70.06602	3.4
71.04990	6.3
71.52640	3.7
72.19684	2.4
79.05508	25.1
81.03415	14.1
81.07064	72.1
83.04986	13.2
83.08620	8.5
85.02916	28.9
85.06564	8.0
87.00833	10.4
91.05470	12.8
93.07053	26.8
93.27537	2.2
95.04982	6.2
95.08627	28.5
97.02906	9.7
97.06528	6.0
97.10177	8.7
99.04448	5.4
105.01884	3.9
105.04470	2.4
105.07044	21.4
107.04981	5.3
107.08608	28.4
108.02585	2.3
109.02908	13.1
109.06536	8.1
109.10154	13.8
111.04488	2.8
111.08105	2.4
113.09647	6.7
115.05451	3.8
117.07043	7.5
119.08620	17.8
120.19573	2.3
121.06526	8.3
121.10155	27.9
122.03640	5.0
123.08082	5.0
123.11725	24.6
125.09631	17.9
127.03930	16.3
128.06229	2.5
129.07007	2.6
131.08580	9.6
133.10152	19.1
135.04463	13.3
135.08067	82.4
135.11699	5.5
137.05998	100.0
137.09616	19.6
137.13187	2.4
139.11186	8.8
143.04936	6.1
143.08580	4.2
145.04990	7.4
145.10133	14.7
147.08084	4.1
147.11697	7.5
149.02385	16.5
149.09618	39.9
149.13281	3.6
151.03917	3.3
151.07532	6.8
151.11189	6.4
153.09108	17.0
155.08594	3.6
157.10179	8.7
159.02910	5.8
159.11699	7.5
160.08492	2.2
161.09622	5.5
161.13313	5.6
163.11176	9.2
169.12334	3.3
171.11673	5.0
173.06003	3.4
173.09581	4.2
173.13268	8.7
175.11240	3.4
175.14844	3.5
187.11191	4.4
187.14853	5.4
189.09114	3.5
189.12764	4.4
197.13286	5.4
199.14877	9.8
201.12761	4.1
205.15898	7.3
207.13875	4.2
215.14349	5.4
215.17928	2.2
217.15807	3.0
229.19513	4.1
239.18002	4.5
239.48354	2.1
247.20395	4.8
257.19012	20.6
275.20102	66.0
293.21149	67.6
297.79675	2.4
325.10678	12.8
355.11829	11.6
453.74399	2.3
541.24280	22.7
541.31854	3.1
541.35406	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	541.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.2
57.03453	1.0
58.06586	2.9
67.05509	1.4
69.03429	2.8
69.07066	1.1
70.06586	2.6
71.05017	1.1
71.53020	1.3
79.05506	2.6
79.06873	0.9
81.03430	2.5
81.07041	2.0
85.02914	2.8
91.05480	2.6
93.07044	3.0
93.14369	0.9
95.08606	1.5
96.37460	0.9
99.25576	0.9
105.07043	2.8
107.08575	1.0
109.06519	1.3
109.10168	1.0
115.05471	2.6
117.05700	1.1
119.04980	2.3
119.08630	1.4
121.02892	2.4
121.10166	1.1
123.04491	1.7
127.03942	1.0
131.08589	1.0
132.08083	2.7
133.06551	1.1
133.10129	1.6
137.05965	1.3
139.03958	0.9
142.24135	1.0
145.02916	1.2
145.06528	1.3
145.10191	1.1
146.06024	12.2
147.04422	3.3
149.09654	1.9
151.03938	4.1
160.07590	47.1
163.03941	1.8
163.07541	1.2
172.07524	1.2
173.07137	1.3
173.09628	1.0
175.03973	1.5
177.05501	2.4
181.05009	2.3
183.06754	1.2
184.07590	1.4
186.09254	1.1
193.05075	2.3
196.07607	1.4
197.08501	2.2
198.07780	1.1
199.08760	1.6
203.22272	0.9
207.06621	1.4
211.08722	5.9
212.09473	2.3
213.10291	2.4
214.11014	3.3
217.05040	1.4
225.10252	1.4
236.07109	1.1
237.10196	1.0
252.09166	1.7
253.09756	14.4
265.09677	1.1
277.09747	2.2
279.07675	6.0
279.11304	3.4
281.09302	1.6
282.58694	0.9
293.09268	2.4
297.08569	2.1
303.11426	1.1
307.10818	4.2
309.11987	1.2
313.10034	1.1
318.17136	0.9
325.10483	1.0
328.09497	1.6
333.08423	1.2
333.12216	1.2
334.09488	1.4
335.10452	1.8
341.09341	1.2
343.07452	2.1
345.08768	3.3
345.12558	1.2
346.10587	1.5
355.10803	3.0
357.08658	2.8
357.12494	1.1
358.09528	5.2
359.10281	4.0
361.08136	1.2
361.11981	2.0
362.10059	3.6
363.09845	7.4
363.13943	1.3
364.10876	2.5
367.18625	1.8
373.11884	9.9
375.09735	3.4
375.13831	1.9
376.10553	19.0
377.11508	5.4
379.12894	1.0
383.10199	1.9
384.11069	1.1
385.11987	1.8
387.09824	3.0
388.10950	2.7
389.11371	7.8
391.12924	60.9
393.14322	1.3
397.11853	1.2
399.13431	2.7
401.11304	3.2
402.12070	3.1
403.12839	3.6
404.11273	1.2
406.11609	12.7
412.10846	2.0
412.80411	1.1
413.10925	1.6
415.13104	2.2
416.13510	2.9
417.14487	4.0
421.13980	29.1
424.10645	1.5
427.13306	1.5
428.11249	1.9
429.14908	1.7
430.11581	15.9
431.16074	2.8
439.12854	4.6
441.10764	1.9
442.11700	14.9
444.12952	2.4
445.13986	55.2
451.13153	1.3
457.14117	11.7
459.15521	3.4
463.14706	1.2
469.13977	3.9
472.12921	8.2
475.15146	19.6
476.13089	1.8
487.14975	21.0
490.13675	4.5
505.16135	61.5
506.15848	1.4
508.14719	7.5
523.17188	100.0
541.19135	5.8
541.29053	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.9891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59613	0.3
53.79866	0.3
56.96571	5.2
57.97328	0.3
66.87243	0.2
69.89185	1.2
71.95263	1.6
76.40931	0.3
84.48798	0.3
98.97590	79.3
99.97850	0.3
116.98631	35.0
134.99677	7.8
140.00255	0.7
153.00777	0.7
172.94371	3.0
190.95410	2.5
197.95322	0.5
208.96564	0.8
214.95421	3.9
216.98700	0.4
230.98624	0.3
232.96494	6.0
234.99832	0.4
239.41951	0.3
240.98903	0.9
241.94214	0.5
250.97600	2.8
256.96463	21.0
257.96957	0.3
258.99789	7.5
272.94571	0.7
274.97528	100.0
275.97998	0.6
276.97885	0.7
277.00854	8.7
282.01447	0.4
283.00027	0.9
285.00186	0.4
290.95547	0.7
292.98578	47.9
297.99152	2.5
298.97714	1.9
299.98193	0.4
300.02747	0.3
301.01089	0.8
303.00998	0.6
314.95486	0.3
316.00259	1.3
316.98727	1.9
332.96667	0.9
334.36469	0.3
374.98068	1.3
382.99707	0.7
398.97644	26.4
401.01068	2.7
414.95480	0.5
416.00125	0.3
416.98730	44.8
417.99109	0.5
419.01880	0.3
432.96494	0.9
434.99863	5.6
440.00473	1.6
456.96899	1.9
457.96115	0.4
459.00183	0.5
460.00543	0.3
474.97925	0.6
498.98160	0.5
540.98871	19.3
556.96533	0.5
558.96735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01836	0.7
55.05496	0.4
58.06601	1.7
61.07930	0.3
65.03920	0.5
67.05501	0.4
68.99805	2.2
69.74812	1.3
69.75227	0.7
79.05488	1.7
81.03416	0.4
81.07037	0.5
89.03888	0.8
91.05497	3.2
92.99762	0.4
93.03391	0.8
93.07022	1.1
94.04177	0.7
95.04929	1.3
102.04652	0.5
103.05477	3.9
104.06225	0.4
105.03394	1.7
105.04484	0.5
105.07032	1.9
107.04971	3.5
107.08599	0.4
109.02870	0.4
109.06478	1.5
111.00801	0.9
115.05438	0.8
117.03365	1.7
117.07065	0.5
118.04179	1.9
119.04926	1.1
121.02885	3.1
121.06516	2.9
122.03651	2.0
123.00764	1.0
123.04397	1.2
124.01551	0.7
124.05226	0.4
125.02345	0.4
130.04176	1.6
131.04933	3.9
131.08560	0.4
132.05696	1.4
133.02875	4.4
133.06493	1.7
134.03612	1.2
135.04431	2.3
136.05093	0.3
137.02414	0.3
137.05995	5.7
139.00279	5.1
140.04720	2.7
143.04997	0.4
143.08548	0.5
143.22018	0.4
145.02870	2.6
145.06476	0.6
146.03627	1.0
147.04391	2.1
148.05148	0.9
149.02309	1.0
149.05975	3.0
150.03137	2.7
151.03915	9.9
151.05029	0.7
151.07446	0.6
153.01849	0.5
153.05453	0.5
159.04387	1.6
160.05269	0.6
160.07541	0.4
161.02367	2.9
161.05981	3.3
162.03098	1.2
163.03938	4.2
165.05481	4.0
167.07045	4.1
169.01361	2.8
169.02698	0.5
173.02365	2.0
173.06001	2.9
175.03802	0.6
176.04688	2.7
177.01857	0.8
177.05481	14.2
178.02635	0.4
178.06242	1.1
179.07028	0.8
180.07855	0.4
186.03131	0.6
187.03900	2.8
190.02576	0.6
191.03391	1.2
191.07045	5.0
192.04195	0.4
192.07869	1.1
193.04985	3.1
193.08623	1.3
194.02150	0.5
195.06453	0.4
196.51204	0.4
197.08150	0.6
199.03943	0.5
201.01785	1.3
201.05542	2.8
203.07086	0.6
204.04181	0.7
205.01355	0.4
205.05020	2.8
207.06473	1.5
208.03619	0.4
215.03409	2.2
217.04912	0.7
218.02119	1.3
219.02895	0.8
219.06543	0.6
225.07590	1.3
229.05008	3.5
233.04414	1.9
243.02910	4.0
244.03680	0.8
245.04546	2.1
247.02347	1.4
247.06009	1.0
257.04489	0.9
260.03204	2.5
261.03970	2.1
271.02368	5.3
272.03027	0.8
273.03949	3.0
274.04877	0.7
275.05350	0.7
285.04019	1.9
287.05579	1.5
288.02661	10.4
288.05920	0.8
289.03436	1.2
290.04251	0.5
299.05414	0.5
300.02771	0.8
301.03415	6.0
302.04349	1.2
303.05014	86.5
314.04266	0.7
315.04962	2.4
316.02386	0.7
316.05789	2.8
317.03098	0.7
317.06586	11.6
318.03784	2.8
329.06647	1.9
331.04504	100.0
332.05276	8.1
333.06076	7.8
341.06772	0.4
345.06262	0.5
354.03668	0.4
367.18445	0.5
369.06177	2.6
387.07135	2.3
443.28006	0.7
491.09595	0.7
508.10056	0.4
511.12292	3.5
523.04474	0.9
523.12433	24.6
541.13458	84.7
542.13666	0.8
544.08612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
55.05514	3.3
57.03426	0.6
57.07074	1.1
65.03940	0.5
67.05520	4.7
69.03438	28.9
69.07071	0.9
71.04994	4.0
71.08582	0.5
72.51339	0.5
79.05502	3.2
81.07065	20.5
82.08697	0.5
91.05486	3.7
93.07049	11.7
95.04984	7.8
95.08648	2.6
96.05743	0.8
97.06537	3.8
105.07044	7.2
105.07703	0.9
107.04926	0.7
107.08604	12.8
109.06527	26.2
109.10169	5.7
115.05444	0.5
121.10113	0.8
123.08103	6.7
123.11710	12.3
130.13876	0.4
132.43393	0.4
133.10146	9.3
135.04434	0.8
137.05992	1.3
141.53369	0.5
151.11197	100.0
152.11568	0.5
173.06000	0.8
175.07530	2.1
187.07541	0.9
189.09070	1.2
198.92876	0.5
201.09128	0.5
256.26590	0.6
311.29993	0.6
391.92590	0.5
492.54568	0.5
511.97705	0.6
540.17566	0.7
540.53400	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11811	1.8
55.05503	4.7
57.03461	1.8
57.07081	13.3
63.96664	1.6
67.05483	3.9
69.07059	5.7
70.06600	11.3
70.80544	4.2
71.08628	8.1
72.08189	2.2
75.31565	2.0
79.05491	2.3
81.07058	6.0
83.08634	3.5
85.10181	3.3
88.07638	12.2
91.05473	2.2
95.08614	4.1
100.30002	1.7
102.09203	10.7
109.10136	2.5
111.04411	3.0
115.05450	3.0
122.03667	2.7
125.05960	1.8
125.42966	2.2
129.07002	2.8
131.04901	2.5
135.42873	1.9
137.05006	3.7
137.05989	38.1
143.04930	7.2
149.22989	1.9
157.06474	2.7
160.05179	8.0
171.11081	2.0
172.05254	2.7
175.07559	55.0
187.07590	16.5
189.09100	2.8
205.08604	11.0
209.11807	7.4
210.12099	3.1
217.08670	3.7
233.31505	2.0
235.09651	9.8
256.26389	38.2
271.09723	1.8
274.27734	2.7
283.26379	8.2
284.15747	2.1
284.29510	8.6
291.10226	5.2
291.70184	1.9
311.12543	2.4
311.29456	32.7
323.12885	5.5
341.13831	7.4
357.83054	2.4
359.30664	2.0
522.39014	2.9
540.40625	3.5
540.53516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.05516	12.1
57.07094	0.6
67.05521	0.6
68.04201	0.5
70.06611	0.6
70.54360	0.5
71.04992	0.7
71.52742	0.7
79.05515	0.8
81.07037	0.6
83.04988	100.0
83.08605	0.6
85.06557	0.9
91.05495	1.5
93.07064	3.1
95.04978	1.2
104.10736	0.7
107.04990	0.8
107.08622	1.4
109.06546	1.8
115.05431	0.7
122.03675	1.6
123.11604	0.6
129.07008	1.7
131.05063	0.6
135.04451	3.8
135.11690	3.3
136.05226	1.3
137.05988	31.4
142.59895	0.6
143.04942	1.5
145.06497	0.9
151.07561	27.0
151.11147	3.8
157.06493	1.4
173.05998	5.1
174.06796	1.3
175.07555	4.4
175.69933	0.6
185.05978	1.9
187.07541	2.9
188.08354	0.6
189.09129	4.8
201.09206	2.3
203.07092	1.6
203.10730	1.6
215.07040	0.7
217.08574	1.0
219.10207	0.9
231.10240	1.5
233.08174	1.8
249.11462	0.9
254.09549	0.6
285.11215	1.3
291.09967	1.2
305.11798	2.8
306.12585	1.8
322.12128	0.7
337.14365	9.0
339.12268	1.1
355.15485	2.4
540.53839	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03947	2.3
55.01871	2.0
55.05506	0.8
57.03439	1.6
58.02959	0.6
58.06610	0.7
61.02935	1.3
65.06589	0.5
67.05502	3.8
69.03436	11.3
69.07076	5.3
69.53425	3.3
70.06598	14.9
71.04996	1.4
71.46265	0.5
72.08186	0.9
73.02921	2.1
79.05505	3.3
81.03423	11.2
81.07056	4.0
82.06591	1.6
83.04994	0.9
83.71173	0.4
84.08150	83.9
85.02911	13.0
87.00838	6.5
89.65852	0.5
91.03990	0.6
91.05492	4.1
93.07061	3.9
94.06571	0.8
95.04987	3.6
95.07322	0.6
95.08601	3.3
96.08157	1.4
97.02906	5.8
97.06547	1.2
98.09715	1.8
99.04463	4.0
100.11255	0.5
102.07409	0.5
105.01901	2.7
105.07040	7.0
107.04961	1.5
107.08586	3.0
108.08085	0.6
109.02898	8.6
109.06524	3.2
109.10146	4.5
110.09712	1.6
117.01881	0.5
117.07027	1.4
119.04980	0.5
119.08599	3.5
120.08129	1.1
121.06532	2.0
121.10182	1.5
122.09702	1.7
123.04472	0.7
123.08098	0.6
123.11684	0.5
127.03929	12.2
128.06282	0.7
128.07095	2.2
129.01845	0.9
129.07057	0.7
129.10251	0.7
131.04944	0.8
131.08615	2.5
133.10129	3.8
134.09653	1.0
135.08054	4.6
135.11722	1.2
136.11206	0.6
137.05968	2.3
137.09676	0.6
143.08609	0.9
145.04942	2.6
145.10184	2.1
147.08003	0.7
147.11691	1.8
149.09651	1.2
151.03923	0.7
151.07547	1.4
151.11243	0.7
157.10191	0.8
159.02919	3.9
159.08041	1.1
159.11720	3.5
161.09633	29.4
162.12743	0.5
163.11174	1.5
164.10707	0.6
169.10226	1.7
171.11734	1.1
173.09628	0.8
173.13319	1.3
175.07555	0.6
175.11208	2.7
177.12854	0.6
183.11794	0.6
185.09724	0.5
187.06145	0.6
187.11191	6.5
192.13853	4.4
201.12802	2.8
201.16414	0.6
202.13541	3.2
203.10765	0.8
205.12357	1.8
206.15396	0.8
213.12749	0.7
213.76994	0.5
217.15932	1.7
218.15405	2.6
225.16467	0.8
231.05057	1.0
231.17212	0.5
236.16467	8.0
243.17455	15.8
245.19127	0.8
247.13445	0.6
250.46010	0.5
256.20767	0.7
261.18558	11.9
274.21677	11.5
292.22729	14.2
334.24139	0.8
496.29080	14.2
509.24051	4.8
540.28101	100.0
541.28284	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	540.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93877	0.5
58.06604	37.6
60.05642	3.1
68.05020	1.6
69.03440	0.9
70.06597	29.3
70.80724	1.2
71.04999	5.5
86.06072	0.8
88.07640	1.4
94.48447	0.6
94.90684	0.6
112.08739	1.3
114.05536	79.6
115.03911	1.0
128.08165	0.7
130.09746	0.9
134.06013	0.6
146.09259	0.8
160.07600	15.0
164.33997	0.5
174.08754	100.0
175.11960	0.6
199.27898	0.6
322.12735	3.1
367.18652	38.7
496.63657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54985	0.6
58.06607	32.9
60.05646	2.5
66.80724	0.7
68.05029	1.3
70.06599	25.4
70.69392	1.8
71.04992	5.8
73.85745	0.6
77.86134	0.7
78.99866	0.6
86.06087	1.0
88.07622	1.4
88.44196	0.6
97.92738	0.6
112.08694	1.2
114.05537	72.4
115.03924	1.2
119.70718	0.7
130.09752	1.2
146.09291	0.7
160.07596	10.6
174.08757	100.0
235.53918	0.7
322.13007	3.3
353.92245	0.6
367.18661	37.8
374.71390	0.8
401.96350	0.7
462.27637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
62.94439	1.2
69.03429	1.5
70.06609	5.5
71.52393	2.1
79.05492	1.3
81.36984	1.0
84.08147	6.5
85.02916	2.4
86.09696	1.8
91.05488	6.5
93.07047	1.2
94.04227	1.5
95.08611	1.5
103.05479	7.5
105.07027	3.2
107.04934	3.2
115.05443	2.5
117.07046	4.0
119.08594	8.5
121.06572	1.9
122.03645	3.6
128.06201	1.6
129.07001	3.4
131.04929	16.1
132.05734	8.3
137.05998	61.1
141.06995	1.5
145.06462	1.6
147.08057	8.7
152.66772	1.3
160.05199	4.5
163.07559	30.9
169.06522	1.3
175.07568	100.0
193.08641	5.2
201.09056	2.2
325.14410	10.9
343.15219	2.8
462.90204	1.3
540.27783	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	540.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.4
53.03949	1.1
54.20269	0.3
55.01887	0.7
55.05517	0.3
57.03429	1.3
59.04974	0.4
60.03120	0.3
61.02937	0.5
64.32281	0.3
67.05520	0.6
69.03440	6.6
69.07072	0.9
69.18558	0.9
69.18976	1.9
70.06576	0.4
73.02892	0.4
76.92822	0.2
77.03918	0.5
79.05502	4.9
81.03429	0.6
81.07065	0.8
85.02910	4.5
87.00822	0.4
87.04469	3.4
87.81185	0.3
91.03975	0.7
91.05476	2.2
93.07055	1.0
95.04983	2.0
95.08591	0.6
97.02908	3.6
97.06551	1.6
101.54908	0.3
102.90338	0.3
103.03955	0.9
105.04469	0.6
105.07075	0.6
107.04967	100.0
115.03944	4.5
117.07071	0.5
119.04940	1.2
119.08601	0.3
121.06537	2.0
121.10136	0.4
123.04454	0.8
123.11697	0.6
127.03960	0.6
128.06242	0.3
128.10732	0.4
131.04939	5.8
133.04974	4.5
137.06004	0.4
145.05008	0.8
145.06474	1.4
147.08119	0.4
149.05959	1.5
161.05917	0.7
167.07166	0.5
173.06010	3.2
185.05991	0.4
191.07062	3.9
191.10660	0.3
195.15067	0.3
203.07059	0.5
229.08676	0.4
239.09190	0.4
329.13501	0.3
337.14224	0.3
355.14948	0.3
423.89951	0.3
449.32950	0.3
466.84381	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
62.94439	1.2
69.03429	1.5
70.06609	5.5
71.52393	2.1
79.05492	1.3
81.36984	1.0
84.08147	6.5
85.02916	2.4
86.09696	1.8
91.05488	6.5
93.07047	1.2
94.04227	1.5
95.08611	1.5
103.05479	7.5
105.07027	3.2
107.04934	3.2
115.05443	2.5
117.07046	4.0
119.08594	8.5
121.06572	1.9
122.03645	3.6
128.06201	1.6
129.07001	3.4
131.04929	16.1
132.05734	8.3
137.05998	61.1
141.06995	1.5
145.06462	1.6
147.08057	8.7
152.66772	1.3
160.05199	4.5
163.07559	30.9
169.06522	1.3
175.07568	100.0
193.08641	5.2
201.09056	2.2
325.14410	10.9
343.15219	2.8
462.90204	1.3
540.27783	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	539.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
57.07049	0.3
66.80105	0.3
67.04233	0.5
67.05497	0.6
69.07056	1.1
71.13293	0.6
76.24009	0.3
81.07050	0.6
81.41473	0.3
83.08614	0.9
95.08602	0.6
97.10179	0.5
103.23743	0.3
105.07041	0.6
115.05469	3.7
117.05766	2.7
117.06998	0.4
118.06560	0.3
120.08080	0.4
130.06496	0.6
132.08101	6.3
133.05289	0.5
133.06445	0.7
134.06006	0.7
142.06535	0.7
143.07301	0.5
146.06032	1.3
148.06392	0.5
148.07582	10.9
159.06808	1.0
160.07593	100.0
161.07953	0.3
170.78690	0.3
174.05557	0.4
188.07126	0.4
191.11818	12.0
375.06827	0.3
380.39026	1.0
406.40506	1.0
496.41675	2.8
508.41751	1.8
539.45776	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	540.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.5
55.01866	1.7
58.06593	0.4
65.03946	2.7
67.05510	0.6
70.06588	1.9
75.04490	3.8
77.03917	0.7
78.04733	2.9
79.05505	2.3
81.03407	1.1
81.07047	0.7
84.04529	0.7
84.08154	2.4
85.02917	3.3
86.09701	0.8
89.03912	1.0
89.06043	0.9
91.05489	11.2
93.03414	10.3
93.07051	5.5
95.04984	3.4
95.08594	0.5
97.02862	0.6
97.06530	2.0
98.20701	0.7
103.05478	6.0
105.03397	0.7
105.04517	1.3
105.07027	1.5
106.04188	24.3
107.04948	2.1
107.16388	0.5
108.05698	0.5
109.06539	0.7
117.03368	1.5
118.04163	0.5
119.04930	1.6
121.06516	27.8
122.07301	0.5
123.04396	1.2
123.08035	0.5
124.05228	0.7
125.06012	7.0
131.04953	1.6
133.06517	1.0
134.03656	3.9
135.04362	1.1
136.05104	0.5
137.05983	5.1
138.06766	1.7
139.07564	2.8
145.02879	1.5
148.05229	1.8
149.05997	40.1
151.07542	1.8
153.05473	1.5
153.09116	11.2
161.09679	0.6
163.03877	0.8
163.07539	2.0
166.06270	1.4
167.07034	2.9
177.05489	21.6
180.07880	0.7
181.08607	19.1
190.00862	0.5
191.07074	1.7
193.08652	0.8
209.08110	100.0
223.04263	5.1
369.13409	0.8
387.14435	0.8
517.33142	0.5
540.27283	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05111	2.2
53.03934	3.1
55.01862	2.8
55.05515	19.1
57.03438	11.4
57.07084	40.1
58.74621	2.3
60.66690	2.3
67.05507	33.2
69.07076	14.2
69.48832	16.4
71.04984	3.1
71.08636	34.0
73.02923	3.5
77.20901	2.3
79.05072	2.8
79.05500	27.6
81.03395	5.7
81.07066	38.6
83.04981	8.6
83.08623	18.5
85.10193	18.1
91.05464	11.0
93.07048	39.6
95.04971	10.9
95.08616	56.1
97.02901	5.4
97.10165	7.5
99.04465	5.8
105.07011	7.6
107.04966	11.5
107.08603	24.0
109.06519	4.3
109.10154	14.5
111.04455	6.9
113.89452	2.7
117.07020	11.9
119.08566	8.5
121.06475	5.2
121.10166	12.8
123.11713	5.1
130.07674	2.5
133.10176	4.4
135.04364	3.3
135.08038	3.4
135.11719	43.2
145.10141	25.0
162.66507	2.4
163.11201	44.9
181.12274	8.8
191.10660	3.9
209.11688	17.1
215.72656	2.8
217.98575	2.6
227.12802	100.0
239.23674	7.0
283.15408	58.1
313.27383	94.7
339.92343	2.7
437.48627	2.5
521.38489	63.6
539.39630	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.6
55.01878	5.2
55.05521	24.1
57.03446	12.9
57.07085	49.9
63.67894	2.1
65.03953	2.2
67.05510	37.5
69.03452	2.7
69.07081	20.7
69.67143	4.2
69.67553	8.6
69.93803	1.9
71.04999	3.6
71.08643	31.7
79.05499	31.7
81.03446	3.7
81.07067	43.1
83.04990	4.3
83.08631	24.0
85.02919	2.2
85.06564	2.7
85.10196	19.2
89.06022	2.4
91.05487	10.9
93.07053	41.4
93.26544	2.5
95.04988	7.4
95.08620	60.0
97.02886	3.4
97.06544	5.7
97.10179	12.8
99.04455	4.9
103.07594	2.7
105.07030	11.3
107.04983	9.8
107.08611	31.3
109.06547	2.6
109.10183	17.3
111.04466	7.4
117.07009	13.4
119.08585	12.6
119.32323	2.2
121.06536	5.2
121.10186	14.3
123.11743	3.5
125.05996	4.2
125.09650	3.7
129.07053	3.2
131.08592	6.5
133.10126	5.3
134.98196	2.2
135.08002	2.5
135.11708	41.9
143.08621	2.6
145.10152	32.0
147.11722	3.3
155.08583	3.7
157.10139	2.9
159.11815	2.6
163.11203	52.9
169.10199	3.9
171.11697	2.3
173.09711	3.4
173.13303	2.6
178.07199	2.0
181.12289	8.1
191.10623	2.8
195.11780	2.6
199.13271	4.8
209.11699	3.1
219.02443	2.1
223.14896	2.0
227.12808	100.0
239.23822	5.0
253.70171	2.1
283.15433	61.4
313.27399	96.1
414.34225	2.2
427.28378	3.1
447.32782	4.6
467.37701	10.3
521.38489	68.6
539.38300	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59663	2.2
55.01872	6.0
55.05518	36.0
57.03442	11.6
57.06836	3.8
57.07085	45.3
67.05508	30.4
68.38889	2.5
69.07072	18.2
71.01350	4.3
71.08640	32.7
71.53043	2.2
79.05508	22.8
80.26695	2.1
81.03419	4.7
81.07061	36.9
82.11922	2.2
83.04993	8.7
83.08624	19.6
85.02920	17.5
85.10191	19.5
87.04462	3.8
89.06020	3.0
91.05479	8.5
93.07047	11.6
95.05005	3.3
95.08623	31.2
97.02958	3.6
97.06543	2.7
97.10188	30.1
103.03923	3.1
105.07036	6.3
107.04961	4.6
107.08609	18.5
109.10178	18.4
111.04456	7.8
117.07027	2.5
119.08553	4.0
121.10149	6.6
123.11758	5.2
125.09659	25.8
133.08676	2.7
135.11696	7.9
137.13293	3.0
143.10678	6.4
145.10107	6.8
153.12793	3.9
163.11238	13.1
181.12314	6.2
186.19519	2.1
189.32791	2.5
191.10703	4.3
199.13312	25.6
209.11697	14.3
227.12820	17.5
239.23671	11.8
265.14343	2.7
283.15436	10.2
301.16486	6.5
313.27402	58.9
437.36182	10.8
455.37650	4.3
457.39063	2.5
521.38574	14.1
539.39508	100.0
539.52423	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	538.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
58.06604	100.0
60.04558	0.7
60.99935	0.7
69.03452	1.1
70.06595	16.9
71.25197	0.7
71.51741	1.6
72.08160	2.3
81.07047	0.7
81.99062	0.7
83.04980	0.7
84.04520	1.5
84.08136	3.6
85.02922	2.9
86.09727	2.4
91.05509	1.9
97.02936	0.9
98.93731	0.7
100.39748	0.8
116.07101	16.4
119.04959	1.5
127.03898	0.9
128.07159	1.3
136.07620	1.9
137.05988	8.5
140.03485	1.0
145.02913	0.7
147.04468	2.3
151.03963	2.5
165.07143	0.7
166.07817	1.3
175.07544	0.8
177.05586	1.5
177.07047	1.0
179.07211	0.9
179.08638	2.9
181.10077	0.8
187.07599	0.9
189.07013	0.9
190.07817	1.4
191.08556	6.9
194.07277	1.8
195.08076	1.1
197.09659	1.0
202.07841	0.9
205.06570	2.7
207.08057	4.6
208.08827	1.3
209.09689	3.2
215.10838	0.9
219.08031	4.4
221.06082	1.3
222.06749	7.2
223.07648	1.5
233.06073	1.6
235.07600	2.9
236.08351	1.2
237.09116	8.5
239.07146	1.7
241.08694	1.9
243.10298	2.1
247.07573	1.2
248.08139	0.9
250.06354	0.9
251.10551	0.9
263.07141	1.5
263.10745	1.2
265.08609	24.8
266.09161	2.1
267.06699	2.3
267.10132	1.3
269.11838	1.5
271.32639	0.7
277.08795	0.9
279.10287	1.4
282.08865	10.3
282.11697	0.8
284.10477	1.9
289.08502	1.4
290.09436	0.9
291.10144	0.9
296.10635	0.8
297.11212	21.0
299.12878	2.3
308.10474	0.8
309.11414	0.9
323.12857	1.4
329.15329	0.9
340.15686	0.8
341.16327	1.9
342.17023	9.1
369.11072	0.8
383.13162	0.9
394.12427	0.9
397.10947	1.1
412.13242	2.7
413.13907	1.3
422.59692	0.8
427.33356	0.8
443.15063	1.7
493.18756	2.1
520.23737	1.6
538.24438	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14566	0.4
53.03956	0.4
55.05267	0.6
55.05516	8.0
56.05035	1.3
57.05814	1.5
58.06610	5.8
66.12921	0.4
69.03416	0.5
69.07076	2.6
70.06604	7.5
71.52076	0.6
72.08163	100.0
79.44052	0.4
82.05303	0.6
82.06582	0.7
83.06114	3.7
84.08172	1.9
85.02902	0.6
86.06079	5.6
86.09715	17.5
91.05494	0.6
93.04536	3.3
93.38136	0.4
95.06097	3.5
102.05531	0.5
105.07122	0.5
107.04935	0.5
107.08575	0.4
110.07178	77.8
112.08744	0.6
114.05545	15.5
116.07101	8.7
120.08124	0.6
125.10796	0.5
128.07080	4.1
129.10251	18.4
131.04942	0.6
133.10275	0.4
134.03456	0.4
137.05968	2.3
138.06479	0.7
147.04388	0.4
156.07706	88.6
163.07611	0.8
166.06154	1.7
171.07675	7.0
174.13042	0.4
177.05530	0.8
178.13422	1.0
186.97058	0.4
208.06168	0.4
223.15688	0.9
224.14018	1.2
234.12450	0.6
241.08601	1.1
242.15016	10.0
243.10252	0.8
251.15070	3.2
265.08627	1.0
269.16113	23.9
270.14508	28.0
297.11203	0.9
298.49252	0.4
300.58200	0.5
374.00101	0.4
383.22937	5.7
425.25183	1.5
520.28906	2.6
538.30084	54.2
539.29993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
55.01852	0.8
57.03431	1.1
57.07079	1.0
58.25400	0.6
58.47888	0.7
61.02911	1.6
63.17599	0.6
69.03426	2.8
69.76105	0.7
70.06581	2.3
71.04991	1.0
81.03400	2.4
81.07044	1.5
84.04502	0.8
84.08121	1.0
85.02913	13.4
91.03959	1.0
91.05527	0.8
93.07036	0.7
94.04195	1.3
97.02895	4.2
97.06506	1.0
103.05444	1.5
105.07003	1.6
107.04924	1.1
107.08583	0.8
109.02865	1.1
109.06532	0.7
111.04454	1.0
115.05444	4.9
115.38683	0.6
116.07050	0.7
117.07065	0.9
119.04982	0.9
122.03657	3.1
123.03575	1.2
123.04439	18.7
124.04779	6.5
125.05994	0.9
127.03914	2.3
128.06189	0.8
129.07033	4.8
131.04916	2.8
133.10129	0.7
137.05989	78.9
139.03902	8.8
140.04240	3.1
142.53439	0.7
143.04932	8.9
144.05716	1.9
145.04976	2.8
145.06496	1.3
147.04430	1.4
149.05948	0.8
151.03931	3.1
151.70679	0.8
153.05484	3.0
157.06453	4.2
160.05209	12.3
161.06004	1.9
163.03970	1.1
163.07562	2.1
165.05457	1.2
172.05162	2.0
174.06821	2.0
175.07561	100.0
180.08736	2.3
187.07559	33.5
189.09123	8.5
191.08765	0.9
203.08633	2.0
205.08614	26.4
211.07587	1.6
217.08624	4.6
219.08109	1.5
219.17534	0.9
229.46350	0.7
231.08058	1.4
235.09666	34.1
237.18512	2.4
239.07115	1.5
240.07726	0.8
241.08475	0.9
247.07484	1.2
248.08403	1.6
251.10680	0.8
255.06267	0.7
260.10718	0.9
263.10684	2.6
270.08987	2.1
271.09601	3.3
273.07495	1.1
279.10126	2.1
283.09665	0.7
291.10211	6.3
311.12750	3.9
323.12860	7.5
341.13870	11.5
358.13983	0.7
538.24176	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14904	0.9
51.97473	0.9
52.33713	0.7
54.37682	0.8
55.01867	1.2
57.03456	1.0
61.02914	1.0
65.03941	1.3
66.92390	0.8
68.60053	0.9
69.03437	3.7
70.49593	2.6
71.04993	2.1
74.09714	2.2
79.05480	1.5
81.03420	2.4
81.07056	1.7
85.02906	8.8
91.05477	1.3
93.03416	1.2
97.02901	3.1
100.11217	1.0
103.05456	1.8
105.07040	2.2
107.08652	1.0
109.06490	1.0
115.05440	4.9
117.07078	1.0
119.04902	1.4
122.03671	3.7
125.05979	1.0
127.03929	1.4
127.91784	0.9
128.06230	1.8
129.06999	4.9
131.04907	2.9
133.10115	2.1
137.05984	89.6
143.04939	9.0
144.05673	1.0
145.04968	2.1
145.06445	1.7
151.03917	5.1
151.11154	1.2
152.04248	1.6
153.05437	3.3
157.06491	4.6
160.05206	11.8
161.05940	4.3
163.07581	2.6
172.05243	2.5
174.06795	1.7
175.07553	100.0
178.08594	1.8
179.06987	1.0
180.08661	2.5
187.07550	35.3
189.09116	7.5
191.08499	2.6
193.70778	0.9
203.08568	1.8
205.08598	27.1
211.07674	1.1
217.08607	3.0
219.08110	2.8
219.17400	1.9
231.08136	1.6
235.09657	26.6
237.18474	2.5
239.06953	0.9
247.07564	1.6
248.08249	0.9
251.10677	3.4
259.07385	1.3
263.10678	2.1
270.08768	1.3
271.09647	3.1
276.07990	1.1
279.10196	4.0
291.10193	6.9
296.10495	1.2
311.12704	10.1
323.12793	8.5
341.13794	10.7
358.13855	1.1
380.65207	0.9
410.39655	1.0
538.23492	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
69.03465	0.8
69.09135	0.7
69.93554	2.8
69.93897	0.8
70.06597	1.4
74.87602	0.5
75.54958	0.6
79.05507	1.1
81.03434	0.7
81.07036	0.8
84.08139	1.0
85.02893	2.8
86.09687	1.1
91.05493	2.9
93.07038	1.5
94.04173	1.2
95.04962	1.0
97.02883	1.2
98.21492	0.9
103.05480	2.3
105.07043	5.6
107.04945	1.0
109.06525	1.3
111.65105	0.7
112.88288	0.7
114.43925	0.6
115.05468	2.3
117.07017	1.9
119.04938	0.9
119.08596	1.5
121.06514	1.9
122.03667	4.4
128.06224	0.9
129.07011	1.7
131.04985	0.9
132.05681	0.7
133.06500	4.9
133.10150	0.8
137.05986	100.0
143.04953	0.7
143.06047	0.8
145.06483	2.6
147.04439	1.7
147.08070	2.5
149.05965	4.6
151.03922	0.6
151.07523	0.8
155.04977	0.9
159.08058	1.8
160.05244	1.5
161.05994	15.0
162.06766	2.5
163.07526	1.5
171.08063	0.8
172.05328	0.7
173.05942	1.0
175.07552	23.7
175.09048	1.3
177.09097	0.9
179.07104	1.5
187.07547	7.1
189.09145	1.0
190.07838	0.9
191.08597	5.3
193.08627	5.0
199.07498	3.2
202.07774	0.9
203.08577	1.7
205.06847	0.7
205.08519	3.6
207.08107	1.0
217.08514	1.7
218.07289	1.4
219.08073	6.9
220.08943	0.7
229.80322	0.7
231.08049	1.9
235.09634	0.8
236.08311	1.4
237.09006	0.6
247.07642	2.4
248.08379	1.4
251.10678	11.0
253.08553	0.8
259.07590	1.1
263.10617	0.9
264.07883	1.1
265.08548	1.0
269.11713	0.8
279.10181	7.8
280.10828	0.8
280.88370	0.7
291.10181	4.1
296.10623	0.9
297.10873	0.7
309.11172	1.4
311.12784	28.6
323.12766	10.8
329.13782	4.4
341.13876	9.3
359.14914	1.2
503.19763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41703	0.2
53.03931	0.5
58.06606	7.1
69.57092	1.7
70.06597	56.3
71.04995	0.7
84.08157	0.7
86.09690	0.4
91.05466	0.3
98.20714	0.3
105.07034	0.3
115.86101	0.3
116.07100	100.0
124.07592	0.2
128.07124	0.4
129.06992	0.4
133.04921	0.3
133.10107	0.5
137.05981	0.7
141.07034	0.4
142.07735	0.3
143.08495	0.3
147.04378	0.7
152.06261	0.6
153.07051	0.3
155.08461	0.2
157.06511	0.3
159.04414	0.3
162.32118	0.3
165.06924	0.4
167.08484	1.5
169.06480	0.6
169.10112	1.1
170.07184	0.3
173.05992	0.9
177.05437	0.4
177.06876	0.3
179.08582	0.7
181.06491	0.9
184.05234	0.5
185.05984	0.6
185.09627	0.4
186.06787	2.0
187.03905	1.3
187.07463	1.5
191.08557	0.5
195.08061	2.8
197.05952	0.9
197.08041	0.3
197.09558	1.6
198.06784	0.6
199.07498	0.8
201.05470	1.4
201.09081	0.4
210.06819	0.4
212.04611	0.4
213.05452	1.0
213.09091	2.8
214.06252	0.7
215.06844	0.3
215.10651	3.3
222.06703	0.5
223.07495	0.6
225.09094	2.8
226.06233	0.5
231.10120	0.3
237.09201	0.4
241.08614	11.0
243.10188	17.7
259.70221	0.3
261.11160	1.0
265.08563	1.3
273.11179	0.4
282.08878	0.7
297.11139	1.0
342.16910	0.5
393.15164	0.3
399.84976	0.3
538.24597	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	538.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06817	0.7
58.02245	0.6
69.03428	1.2
70.06593	1.4
70.56784	1.9
79.05473	1.0
80.16388	0.6
81.07073	0.7
84.08150	0.8
85.02910	3.7
91.05500	3.7
93.07070	1.6
94.04181	1.2
95.04959	0.8
97.02910	0.8
103.05467	1.7
105.07027	4.1
107.04964	1.0
107.12079	0.6
109.06522	1.6
115.05474	1.9
117.07029	1.9
119.04970	0.6
119.08595	2.0
121.06509	2.2
122.03632	3.9
127.03915	0.8
128.06252	1.2
129.07045	1.7
130.34187	0.6
131.04953	1.8
132.05679	1.6
133.06509	3.7
136.56737	0.7
137.05994	100.0
144.05684	0.8
145.06461	2.0
147.08080	2.0
149.05975	5.2
155.04948	0.7
158.40208	0.8
159.08115	1.9
160.05125	0.7
161.05991	15.1
162.06754	1.6
163.07545	1.8
173.06009	1.1
175.07564	24.9
177.09122	1.2
179.06984	1.3
185.05899	0.8
187.07576	6.6
190.07776	1.4
191.08591	4.7
193.08604	4.0
199.07578	2.7
203.08624	1.3
205.08551	4.0
207.08011	0.8
217.08589	1.1
218.07359	1.8
219.08122	5.7
220.08769	0.9
231.08084	2.4
236.08400	1.0
247.07648	2.4
248.08366	1.3
251.10716	11.3
253.08699	1.1
259.07413	1.3
263.10742	1.5
264.07782	1.3
265.08551	0.9
279.10208	8.5
291.10220	2.7
292.10870	0.9
296.10373	0.8
309.11099	1.1
311.12820	27.7
323.12817	10.3
329.13953	4.2
341.13885	10.7
344.57907	0.7
359.14899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.05492	0.2
58.06591	0.5
65.03924	1.0
65.28726	0.2
68.64953	0.2
69.03413	0.9
69.21754	1.5
69.22162	0.5
70.06574	0.3
71.04993	0.2
74.09706	0.5
77.71793	0.2
78.68302	0.2
81.02986	0.3
81.03428	3.6
81.07044	0.5
84.08159	0.3
85.01130	0.4
85.02438	0.2
85.02895	1.4
86.09706	0.4
91.05486	9.1
93.07034	0.4
95.04962	0.2
95.08610	0.2
97.02907	1.7
105.07034	0.3
109.02882	1.2
109.10119	0.2
110.06033	0.3
113.00596	1.7
119.04950	20.0
121.06531	0.2
121.10168	0.4
123.04436	0.4
124.03950	0.3
127.03929	0.4
131.08566	0.2
133.05276	0.3
133.10100	0.5
137.05948	0.2
141.00056	31.7
147.04417	100.0
151.03925	0.6
155.01640	0.6
165.05498	3.3
167.01561	0.3
169.63962	0.3
177.05481	0.6
179.05779	1.0
179.07117	0.7
192.10239	0.2
210.07658	0.3
210.11238	1.2
213.02162	5.1
220.06119	0.3
230.04845	10.2
234.11421	0.3
272.05939	0.5
291.05637	0.4
291.08649	3.9
303.05301	0.3
308.05960	0.2
309.09720	3.6
320.05890	2.6
338.07007	0.3
358.20163	0.3
374.09299	0.2
392.10028	0.2
455.72018	0.2
484.10416	0.2
505.97028	0.2
520.12982	0.6
538.26965	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83255	2.3
50.91447	2.2
53.03938	7.2
55.05517	24.0
57.03428	8.8
57.07085	27.9
59.74903	2.4
65.03954	3.0
67.05180	3.7
67.05512	48.9
69.07063	20.0
70.07517	11.6
71.05015	3.3
71.08637	28.1
79.05080	3.3
79.05505	53.6
81.03419	8.6
81.07066	43.3
83.04979	10.5
83.08625	14.4
85.10176	9.9
91.05492	38.9
93.07053	51.0
95.04982	12.9
95.08618	34.2
97.10165	10.3
105.07048	32.5
107.04948	5.7
107.08616	11.8
109.06508	3.3
109.10134	9.9
111.08124	2.6
111.11698	2.5
117.07003	5.4
119.08592	15.5
121.06544	3.5
121.10143	6.3
123.08072	5.3
123.11716	5.2
125.09651	3.1
129.06998	10.1
131.08611	3.8
133.10101	9.1
135.11688	3.8
143.08511	4.8
145.10117	10.5
147.11711	26.4
161.09647	3.5
161.13277	9.4
163.11165	3.8
171.11723	19.6
182.71976	2.4
189.12729	8.1
207.13802	27.8
208.27628	2.3
225.15027	3.5
227.12868	3.3
250.38779	2.6
255.04716	2.8
281.14291	5.0
281.17490	100.0
283.15451	3.3
308.86038	2.7
311.25803	3.4
313.27377	44.2
325.70807	2.9
459.12900	3.0
519.40607	83.8
537.24927	7.5
537.37762	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	537.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	10.0
55.05519	22.5
57.03432	10.5
57.07081	40.4
62.17212	4.2
67.05510	52.9
69.07070	22.0
71.08616	24.2
71.52438	4.1
71.73284	4.0
79.05499	58.9
81.03429	12.1
81.07067	42.3
83.04977	12.9
83.08633	18.6
85.10183	13.4
91.05490	46.9
93.07038	59.1
95.04970	17.3
95.08622	37.9
97.10174	11.1
105.04517	5.2
105.07025	26.4
107.04987	7.6
107.08620	13.8
109.06567	6.7
109.10181	14.1
117.06996	10.0
119.08596	23.5
121.10157	4.6
129.07056	13.2
133.10159	7.4
143.08548	7.7
145.10120	9.7
147.11671	26.2
161.13269	9.3
163.11127	5.2
171.11714	28.7
189.12732	8.7
207.13812	34.6
218.39606	4.4
227.12854	7.1
244.84219	4.7
263.00940	4.0
281.17450	47.2
283.15503	4.1
313.27362	67.5
381.19046	5.6
394.62476	4.9
421.66901	4.2
514.74939	4.4
519.40594	100.0
537.37769	20.7
556.28625	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	537.3039
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
53.66637	0.3
56.36962	0.3
58.00853	0.2
71.52731	0.3
71.53088	0.5
74.09761	0.3
79.05516	0.4
81.07051	0.3
86.09780	0.3
91.05540	0.3
104.10752	0.5
133.64758	0.3
158.99783	0.3
184.07359	0.4
185.04309	0.4
210.05626	0.3
276.56137	0.3
319.83475	0.3
413.09125	0.3
424.00818	0.3
499.96756	0.3
537.30414	100.0
538.30988	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1972
Annotation	Bidenlignaside A
Peak:m/z	Relative Intensity
52.11601	0.7
53.03940	2.8
55.01868	1.8
55.05534	0.8
57.03449	1.0
58.06600	1.9
61.02935	1.6
65.03931	2.7
67.05534	0.8
69.03441	3.7
69.17912	5.4
69.18321	2.3
70.06576	1.2
71.05003	1.6
81.03427	72.8
81.07063	1.6
81.74562	0.7
85.02911	11.4
90.80638	0.8
91.03944	0.9
91.05488	3.2
94.04201	0.8
95.04962	1.3
95.08582	0.9
97.02901	4.5
99.04496	1.2
103.05475	1.3
103.80688	0.6
105.58941	0.9
107.04952	1.5
108.02068	1.7
109.02885	2.1
109.06490	1.1
111.04417	1.4
115.05474	1.9
117.07045	1.5
119.04984	1.4
121.10163	1.2
122.03667	3.1
123.04401	0.9
127.03938	3.1
128.06241	2.7
129.07025	11.0
131.04951	2.6
137.05995	75.0
138.64153	0.7
139.94171	0.7
141.05531	1.9
143.04935	5.0
145.02831	1.4
145.04987	1.8
145.06535	1.5
147.04459	2.0
147.08087	3.2
149.05969	1.4
151.03928	100.0
151.05028	8.4
153.05467	1.9
155.04959	0.8
155.06056	1.7
157.06488	14.7
159.04518	0.8
160.05243	1.6
161.05997	3.1
161.09595	1.3
163.03949	2.3
163.07552	1.1
165.05493	3.0
171.04439	4.0
174.06706	0.7
175.07574	3.8
176.04790	1.0
177.05542	1.8
179.07063	0.8
187.07591	2.2
189.05505	4.3
189.09145	9.9
191.06967	4.1
203.07048	14.3
205.08623	60.7
215.07086	2.8
219.08260	1.1
221.08151	2.8
233.08110	16.6
235.07724	1.1
243.06343	1.2
247.07733	1.3
251.09210	3.5
253.08528	0.7
261.09067	1.5
267.10245	1.0
277.08575	1.1
279.10092	1.9
283.88483	0.8
285.07480	1.3
286.08441	7.0
289.08752	1.6
291.10294	1.1
303.05008	1.4
306.08878	0.7
307.09589	2.5
309.11374	1.4
311.12866	1.4
321.11276	6.3
326.12082	0.8
327.12268	8.0
339.12241	11.0
345.13287	1.6
357.08917	1.2
357.13348	22.5
359.14948	1.8
375.14307	6.0
411.48557	0.8
537.19745	0.8
551.43866	0.8
552.20288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1975
Annotation	Bidenlignaside A
Peak:m/z	Relative Intensity
53.03937	1.5
55.01870	2.7
57.03438	1.3
57.64646	0.5
61.02925	1.7
65.03944	1.6
67.05515	1.3
67.51973	0.5
69.03441	4.9
69.35208	4.0
71.04989	0.7
74.83303	0.5
79.05510	1.1
81.02991	0.8
81.03429	12.2
81.07051	1.5
85.02913	11.5
89.03958	0.6
91.05488	1.9
93.03408	1.3
94.04190	1.7
95.04997	1.3
97.02903	4.5
98.21534	1.0
99.04498	0.6
103.05494	1.3
107.04971	1.1
108.02124	1.5
109.02902	2.0
109.06538	1.5
111.04421	1.3
115.05447	1.9
117.07023	1.7
119.04971	2.0
122.03658	3.9
123.04450	1.3
125.06009	1.6
127.03931	2.4
128.06258	2.6
129.07016	10.3
131.04938	1.8
131.08514	0.7
133.02853	0.7
133.06548	0.7
135.04474	0.8
137.05994	68.8
141.05476	2.3
143.04929	4.3
145.02888	1.5
145.05006	1.4
145.06506	2.3
147.04477	2.6
147.08078	1.8
149.06030	0.6
150.04315	0.6
151.03925	100.0
151.05013	6.9
152.04288	0.6
153.05508	3.1
155.04958	0.6
157.06511	12.5
158.07205	0.7
159.04494	0.8
159.08064	0.7
160.05226	1.6
160.07600	0.8
161.06018	1.8
161.09668	1.8
163.07599	0.7
165.05519	3.4
171.04410	4.4
172.05179	0.9
173.05991	1.0
174.06757	3.7
175.03937	0.7
175.07579	6.6
176.04663	0.9
177.05496	2.8
177.09119	1.1
179.07091	2.4
179.08521	0.7
181.05107	1.1
183.04382	0.6
187.07553	2.3
189.05493	1.3
189.09135	18.2
191.07062	8.5
191.08633	0.8
203.07056	32.8
205.08606	10.4
215.07085	2.4
218.07315	0.7
219.08130	1.5
221.06152	0.9
221.08113	7.5
233.08104	16.3
234.06812	0.9
235.07774	1.2
235.09851	0.7
243.06607	0.8
246.06754	0.6
247.07646	1.6
249.09167	0.8
251.09227	2.1
261.09244	1.7
263.07040	1.1
264.07956	0.9
267.10226	0.7
271.05862	0.8
277.08667	1.6
279.10199	3.4
284.10287	1.0
285.07544	0.8
286.08423	2.9
289.08582	0.8
292.07413	0.8
295.09641	2.5
296.10590	0.6
297.11270	0.8
307.09613	4.3
308.10489	0.8
309.11249	1.4
311.12848	1.6
312.09897	0.7
321.11243	5.7
327.12317	11.0
339.12296	13.5
341.14130	0.6
345.13327	2.8
357.13358	33.6
359.14944	4.5
375.14447	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	536.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81170	1.9
67.05486	4.2
69.07063	2.0
69.35761	15.8
71.04993	1.7
72.08159	8.9
79.05502	12.3
81.03403	3.0
81.07064	16.9
82.26801	1.7
83.05001	3.9
83.08775	1.7
90.01882	1.8
91.05453	16.2
92.93461	1.7
93.07037	12.8
95.04974	37.3
95.08616	3.5
97.06530	2.2
103.05514	2.0
105.07037	52.2
107.04966	2.4
107.08624	2.7
112.62111	1.8
117.07017	3.2
119.08633	2.6
121.10129	8.9
123.08065	2.8
129.07030	3.3
131.08603	13.3
133.06503	7.1
145.10121	8.6
147.07996	2.4
147.11546	2.0
149.09615	23.1
154.76282	1.9
158.00093	2.1
161.85309	1.7
173.09535	2.0
184.90337	2.1
262.18036	100.0
280.19144	8.1
299.06189	4.4
325.73972	1.8
405.20462	1.7
406.21005	5.6
420.22852	6.2
435.25372	3.3
436.25888	6.4
447.21851	2.0
448.22299	6.0
508.27921	7.0
536.27368	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84275	1.0
53.03919	1.1
54.65994	1.2
55.05518	7.3
57.07081	6.9
58.06606	2.0
60.35749	1.0
66.40776	1.1
67.05508	16.6
69.07075	7.4
70.06595	13.1
70.64935	2.0
71.08625	2.6
73.04744	1.2
79.05500	5.2
81.07059	18.2
83.08629	2.7
85.10204	1.5
88.07641	16.9
91.05435	1.6
93.07059	5.1
95.08626	12.8
102.09193	11.7
105.07010	1.9
107.08566	3.1
109.10177	3.8
118.49649	1.1
119.08636	1.4
121.10145	1.3
123.11671	1.9
135.11705	3.9
167.05576	1.1
244.47211	1.2
256.26373	45.2
274.27481	4.7
285.01031	1.6
299.06281	3.8
307.26291	10.1
343.30341	1.3
348.31107	1.6
355.07224	1.5
358.32635	1.3
536.50452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.5
58.06589	2.0
60.08169	17.2
67.05494	1.6
69.07050	1.6
69.30573	0.8
71.07385	6.7
71.53537	1.4
79.05470	0.9
81.07038	2.6
83.08607	1.6
86.09711	48.5
92.21904	0.7
93.07009	1.3
95.08588	1.8
98.98454	4.3
104.10748	94.5
107.08588	1.7
124.99097	1.7
125.00008	27.4
135.11662	0.9
136.99817	0.7
184.07349	100.0
258.10971	1.5
265.25403	0.8
299.06152	1.9
353.30673	1.0
433.87674	0.9
518.36218	9.1
536.37146	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	35.3
57.03436	4.5
57.07084	13.2
61.02919	4.7
65.03948	2.2
67.05515	34.6
69.06727	3.9
69.07076	50.5
69.36451	18.8
71.04997	2.4
71.08636	13.8
73.02952	4.0
79.05511	16.4
81.07069	36.2
83.04995	3.1
83.08631	36.5
83.09078	1.4
85.02916	6.4
85.06545	4.4
85.10192	6.5
86.09704	4.9
93.07048	17.7
95.08620	48.1
97.06537	8.5
97.10174	23.2
100.85836	2.1
103.89631	2.3
104.10759	5.9
107.08614	18.3
109.10167	28.9
111.08075	3.8
111.11715	9.7
121.10158	31.3
123.11706	7.9
125.09631	3.8
135.11714	29.1
137.13289	4.8
139.11214	3.2
148.54675	2.3
149.13268	11.7
151.14844	4.4
163.14893	6.8
165.16443	2.8
167.05624	4.5
177.16393	4.0
184.07372	7.0
247.24211	30.8
265.25293	100.0
283.26367	13.1
288.68195	2.7
299.06247	6.3
339.28973	90.7
348.54718	2.4
357.30042	35.2
467.00842	2.3
536.32477	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01873	1.6
55.05517	6.3
56.05043	1.4
56.63051	0.8
57.03430	1.5
58.99593	14.6
67.05513	7.0
69.03433	4.1
69.07059	2.8
70.06595	6.8
71.04995	1.9
71.51862	1.0
72.08164	2.0
74.00682	1.7
76.02235	82.6
76.03997	4.5
79.05505	6.4
80.05015	1.8
81.02989	1.6
81.03427	19.8
81.07063	7.7
83.04987	7.1
83.08627	7.5
84.04044	1.8
84.04513	21.2
84.08150	3.8
85.02902	4.0
85.04026	1.9
86.09712	3.5
86.99068	3.2
88.02239	1.4
91.05503	7.4
92.01677	1.1
93.07061	5.2
95.04980	8.2
95.08597	3.9
97.01134	1.3
97.02895	1.7
97.06546	2.8
97.10174	2.1
98.03192	1.0
100.56596	1.0
105.07048	6.3
107.08593	4.2
109.10152	1.2
111.04411	1.2
111.08084	4.3
114.53217	1.0
116.01689	18.6
116.07080	1.1
119.08588	7.1
120.08136	1.4
121.06435	1.1
121.10150	1.8
123.08051	1.4
127.03957	1.4
129.07011	3.1
130.05009	14.4
130.16019	1.1
131.08560	4.3
133.10136	4.7
137.05988	3.6
137.09627	1.2
142.03238	8.0
144.01161	10.8
145.04932	1.1
145.06125	1.1
147.11690	4.1
148.03975	1.8
149.02382	2.4
149.09641	2.4
151.03923	2.2
157.10144	4.1
162.02222	42.0
163.03841	1.2
165.12804	0.9
166.08624	1.2
170.02707	3.8
172.03978	1.3
175.11145	6.1
175.14845	1.9
176.15172	2.6
177.03221	6.9
179.04871	79.1
185.03853	1.2
187.05363	2.1
193.12282	16.4
204.06535	1.3
211.11333	1.8
211.13329	27.4
215.04916	2.2
227.05086	1.3
231.04446	1.3
233.05937	19.6
245.05898	3.5
265.56149	1.1
286.14661	1.9
290.08084	1.6
291.06406	3.5
296.91403	1.3
298.14392	1.1
299.06024	1.6
301.11655	1.3
308.09146	100.0
343.12772	1.0
351.24817	1.2
362.16147	1.3
371.16278	1.2
448.69913	1.0
518.21753	2.0
536.20935	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	536.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62078	1.3
53.03941	1.8
55.01860	1.7
61.02917	3.5
64.38696	1.3
67.05490	1.5
69.03436	8.4
69.58427	9.5
70.06579	2.8
72.08154	5.4
73.02930	2.0
79.05485	6.1
79.55708	1.5
81.03406	4.9
81.07054	3.6
84.08142	1.7
85.02914	23.8
86.09693	1.9
91.05455	2.6
93.07048	3.5
95.08590	2.2
97.02901	8.5
98.21594	1.8
103.05452	3.5
105.07032	3.0
107.08561	2.7
109.02876	2.5
115.05454	14.7
117.03363	1.5
117.07037	4.4
119.04956	2.2
121.06538	1.7
122.03598	3.1
123.04461	3.4
125.06009	2.3
127.03922	6.1
128.06227	3.2
129.07056	9.8
131.04979	7.5
131.08545	1.7
135.04431	75.9
137.05992	63.3
137.06836	1.1
137.07072	2.1
143.04939	29.1
144.05638	2.4
145.02803	3.1
145.04938	5.7
145.06523	18.5
145.10017	1.8
147.04454	4.1
149.05980	2.2
151.03905	5.9
153.05531	3.4
157.06528	7.7
160.05223	9.4
161.06032	7.8
165.05565	1.7
167.05504	2.5
173.06009	100.0
175.03906	3.3
175.06044	3.4
175.07571	64.1
177.05492	6.2
180.08672	4.0
185.05998	39.7
187.07567	29.0
189.09082	7.0
191.08566	1.8
203.07024	35.7
203.08496	2.7
205.08583	11.3
209.05937	1.7
215.07172	2.5
217.08630	2.5
219.08136	2.2
231.07913	2.4
233.08099	53.4
233.20256	1.4
235.09692	15.6
237.05493	2.8
244.90529	1.5
247.07687	1.7
261.09103	3.6
263.10660	3.1
269.08054	3.8
277.08719	3.3
281.08157	2.3
283.13150	3.3
287.05377	2.0
289.08691	5.7
291.10104	3.3
295.10425	1.5
299.06198	4.7
309.11160	5.9
311.12613	3.0
313.29318	1.5
321.11191	9.0
339.12344	21.3
434.21674	1.6
436.84274	1.6
499.55038	1.6
536.27551	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.7
53.68526	2.6
55.05520	9.0
57.07080	52.0
64.55329	2.6
65.03956	4.2
67.05511	33.7
68.06277	4.9
69.03442	3.5
69.07059	8.4
71.52288	3.5
71.52695	5.2
72.04520	5.6
72.08151	6.5
74.09740	13.6
79.05501	93.6
79.05975	4.9
81.03436	4.0
81.07063	48.6
83.04984	2.4
84.04526	6.4
88.11245	6.9
91.05490	75.5
93.07056	47.6
95.04950	4.7
95.08611	28.3
97.38902	3.0
98.06061	5.4
105.07047	62.5
107.04970	9.2
107.08601	56.7
109.06513	3.2
109.10178	8.9
111.41374	2.7
117.07029	30.9
119.08591	44.5
120.15496	2.5
121.06496	2.8
121.10144	6.1
128.10748	8.8
129.07008	4.6
131.08563	27.8
133.06526	6.5
133.10139	54.3
140.10794	2.5
145.06531	2.8
145.10135	4.8
147.08084	4.4
147.11678	21.5
149.13266	20.3
154.12199	4.3
157.10176	5.4
159.08020	3.8
159.11719	15.8
167.13033	2.9
168.13887	6.3
173.13257	22.4
175.11243	10.3
175.14848	50.6
180.13864	16.0
183.11705	3.6
184.07365	6.0
192.13927	3.3
194.15439	4.1
201.12729	14.7
217.88307	2.4
262.21701	91.2
274.21689	100.0
275.22485	2.6
281.17542	3.2
333.86105	3.0
337.93109	3.0
517.35010	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3401
Annotation	Taumycin B
Peak:m/z	Relative Intensity
53.84831	0.3
55.01852	0.3
55.05511	1.3
57.03437	1.4
57.07084	0.4
59.05015	0.2
61.05440	0.2
64.01637	0.4
65.03932	0.3
67.05518	2.3
69.03440	1.2
69.07078	1.5
69.44325	1.5
71.01052	0.3
78.22807	0.2
79.05486	2.2
81.07064	3.9
83.01107	1.0
83.04985	0.6
83.08624	0.9
85.06537	0.3
91.05499	1.8
93.07055	3.6
95.04988	1.5
95.08615	4.0
97.06554	1.4
97.10168	0.5
99.08117	0.6
103.05515	0.3
105.07032	3.0
107.05016	0.4
107.08601	3.5
109.06562	0.8
109.10150	2.7
109.57520	0.3
117.07042	0.9
119.08591	3.7
121.06348	1.6
121.10130	2.7
123.08067	0.8
123.11718	1.9
125.09631	0.5
129.07008	0.6
131.08617	2.4
133.10139	2.6
135.11716	0.9
137.09624	0.6
139.11211	0.3
142.07755	0.3
143.06027	0.2
143.08586	1.1
145.10136	2.7
147.11751	2.1
149.09662	0.5
149.13278	0.6
151.11220	0.5
155.08565	0.7
156.09428	0.3
157.10130	1.7
159.11725	3.2
161.09715	0.4
161.13280	2.0
163.14856	0.5
165.12767	0.3
169.10165	1.2
171.11707	1.7
173.13297	1.5
175.11311	0.3
175.14891	0.7
177.12810	0.5
183.11696	1.2
184.12425	0.3
185.13295	1.3
187.14857	1.1
189.12807	0.4
189.16415	0.6
191.14172	0.2
195.11731	0.6
197.13312	1.1
199.14850	0.8
201.12976	0.3
201.16400	0.7
209.13306	0.4
211.14801	1.2
213.16402	0.8
215.17972	0.6
223.14915	0.4
225.16435	0.8
227.14331	0.4
227.17900	1.2
229.15901	0.4
231.17593	0.3
239.17973	0.7
241.19554	0.3
245.18951	0.5
251.17897	0.5
253.19586	0.4
257.19040	0.5
263.18155	0.4
265.19690	0.4
267.20883	0.3
269.19122	0.3
271.20630	0.4
281.18967	0.3
295.24173	0.4
297.22134	0.5
311.23642	0.4
313.25281	0.5
337.25406	0.3
475.31879	10.9
516.34802	1.3
535.33990	100.0
536.34558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3019
Annotation	19-Demethylreblastatin
Peak:m/z	Relative Intensity
53.03959	0.5
55.01881	0.4
55.05522	0.3
56.05044	0.6
58.06603	100.0
62.07049	0.3
63.28529	0.3
67.05512	1.5
69.03436	1.1
70.06599	2.3
71.05000	0.3
71.53713	0.4
72.08160	0.8
79.05508	1.5
81.03422	1.7
81.07056	4.4
83.05021	0.3
85.02914	2.2
86.09715	0.6
91.05469	1.4
93.07043	2.6
95.04990	0.6
95.08613	1.4
97.02918	0.9
97.06557	0.7
103.05471	0.7
105.03435	0.4
105.07005	1.8
107.04951	0.7
107.08599	2.1
109.02892	0.9
109.06520	0.7
109.10141	1.4
115.05466	1.1
116.07108	0.8
117.05799	0.4
118.06686	0.3
119.04912	0.3
119.08613	0.7
121.02849	0.3
121.06569	0.4
121.10165	0.8
123.04448	0.5
123.11681	1.4
125.06047	0.3
127.03971	0.7
129.07072	0.4
129.10272	0.4
131.04953	0.9
132.08130	1.1
133.06543	0.4
133.10162	0.8
135.04436	1.0
137.05966	2.1
137.09644	1.2
138.57420	0.3
145.02805	0.4
145.05052	0.3
145.06483	0.4
146.06004	2.3
147.04456	0.9
148.07603	1.2
151.03941	1.7
151.07584	0.4
151.11243	1.1
160.07590	21.2
161.06027	0.8
163.03865	2.2
163.07564	0.7
163.11308	0.4
165.09189	0.9
167.07053	7.1
167.08412	0.5
172.07642	0.8
175.07681	0.3
177.05544	1.2
178.08701	1.1
181.05020	0.9
184.07608	0.5
186.09216	0.5
187.07559	0.3
191.10297	0.6
191.11829	0.3
193.08665	0.9
195.10141	0.4
201.05602	0.6
202.08752	0.6
205.13391	2.7
207.06410	0.3
211.09779	0.5
212.10745	0.6
220.09737	0.6
222.11285	0.3
233.10329	0.3
235.09862	0.3
239.09288	0.4
257.56409	0.3
287.05508	2.5
317.06647	0.3
355.11819	0.5
373.12888	0.8
391.03552	0.3
394.14368	0.3
454.22519	0.4
469.61096	0.3
472.23370	3.8
517.29114	8.1
535.30310	47.5
536.30676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2712
Annotation	GV 150013X
Peak:m/z	Relative Intensity
55.05514	1.9
56.05038	1.1
56.09599	0.3
57.07084	0.7
58.48832	0.3
60.04520	0.5
67.05510	3.0
67.80577	0.3
68.05030	0.4
69.07075	1.8
70.06615	0.4
70.18457	0.3
70.18790	1.0
71.08646	0.5
72.21416	0.3
77.03925	0.3
79.05502	2.7
80.05024	0.7
81.05380	0.3
81.05828	0.4
81.07050	2.1
82.06592	1.6
83.08633	1.1
88.02233	0.6
91.05502	2.0
91.65398	0.3
93.07043	2.0
94.06577	3.7
94.07420	0.6
95.07372	1.7
95.08604	1.7
96.08148	1.3
97.10166	0.5
105.07040	1.3
107.08615	1.2
108.08222	0.4
109.10165	0.8
117.07108	0.4
119.08598	1.3
121.10167	1.3
122.09687	0.7
122.10512	0.3
133.10165	0.9
135.11720	0.5
161.13295	0.4
233.22699	0.5
237.13884	0.4
245.22701	0.9
250.25351	1.3
262.25323	15.6
263.25681	6.6
263.28308	0.6
272.25833	0.8
280.26410	1.3
281.26761	0.4
288.28793	0.3
345.73972	0.3
389.17880	1.0
390.18546	0.8
391.19055	1.7
403.19382	0.7
404.20065	1.7
405.20798	11.5
406.21542	1.8
407.22864	0.5
417.16214	0.4
418.21741	1.0
419.22543	13.0
420.23145	3.1
431.18655	0.4
432.19193	0.5
433.20123	4.3
433.24390	2.9
434.24930	4.5
435.25500	14.6
447.21594	12.8
448.26266	0.9
461.23395	2.9
462.24207	0.5
463.22052	0.6
463.28806	2.8
477.22656	0.7
492.25330	0.6
505.48019	0.5
506.23126	3.1
507.27609	11.7
516.48181	0.7
517.25903	0.9
517.48108	1.5
520.24872	0.9
534.49103	0.5
535.27118	100.0
536.27338	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	535.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86976	1.1
71.28046	1.3
71.53542	1.8
71.53934	1.7
72.08154	1.4
103.10854	1.3
110.90864	1.3
146.03421	5.4
172.05098	1.3
174.02885	7.0
175.03676	100.0
183.77802	1.3
215.10471	10.1
217.08315	2.1
245.07846	8.6
252.91029	1.3
255.06268	2.4
257.07706	1.7
274.08038	2.5
275.08945	3.6
287.05472	3.9
313.14297	1.7
343.15149	15.4
397.12506	11.4
398.13330	14.1
399.14371	2.6
466.19702	73.4
467.20355	19.9
535.26740	28.5
562.31396	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.7
53.03949	3.4
55.01877	3.6
55.05514	1.2
57.03432	2.2
58.06603	1.5
61.02914	2.4
65.03938	2.1
67.05505	3.4
68.99791	1.6
69.03436	13.0
69.07065	2.0
70.06587	2.3
71.04986	2.1
71.52797	0.8
72.08158	1.6
73.02917	2.2
79.05476	2.6
81.03423	13.6
81.07063	9.6
83.04958	0.9
85.02911	23.0
85.06532	1.0
87.00835	7.2
91.03922	0.7
91.05496	6.4
93.03392	1.3
93.07040	4.0
93.82863	0.6
95.04976	1.3
95.08598	5.7
97.02897	10.3
99.04491	3.3
101.05980	0.9
103.05490	1.7
105.01880	3.7
105.03383	1.0
105.07027	3.3
105.36150	0.7
107.04952	1.7
107.08582	2.3
109.02891	8.1
109.06559	1.3
109.10166	1.9
115.05457	7.7
116.06277	1.1
116.07108	1.9
117.01864	0.9
117.03368	1.3
117.07021	16.8
119.04961	3.3
119.08600	2.1
121.02889	1.6
121.06502	1.6
121.10155	2.2
122.03663	1.4
123.04444	0.9
123.08086	0.7
123.11764	0.8
125.06019	1.0
127.03925	13.9
128.06232	1.4
129.01863	1.1
129.07027	5.7
129.10291	0.7
131.04942	2.3
131.08562	2.5
133.06509	1.9
133.10162	1.4
135.04434	16.4
135.08060	1.2
136.04762	1.7
137.02376	0.7
137.05042	1.0
137.05994	21.0
139.03943	1.1
141.05493	0.7
143.05000	1.4
143.08447	0.9
145.02876	2.6
145.05106	3.5
145.06497	100.0
147.02771	1.0
147.03151	1.1
147.04424	16.9
147.08061	12.3
147.11739	0.9
149.02354	32.1
149.06033	1.4
149.09729	1.6
151.03935	10.5
151.05098	0.9
153.01810	0.8
153.05444	1.0
155.08673	0.8
157.06483	5.7
159.02888	4.9
159.04434	1.9
159.08055	3.6
161.05972	2.3
161.09550	1.4
163.03903	3.1
163.07579	0.9
165.05522	1.4
165.06973	0.7
165.09195	0.7
167.03484	0.9
167.07062	1.6
169.06519	2.5
171.08066	3.0
173.05981	2.0
173.09641	2.4
175.03966	0.8
175.07487	1.7
177.05486	6.9
181.04991	2.4
185.06067	1.6
185.09639	3.5
187.03845	1.3
187.07576	9.1
187.11256	0.9
189.05493	3.0
189.09137	4.1
191.07021	1.4
191.08575	1.4
193.04959	2.0
197.09628	0.9
199.11198	1.4
201.05498	9.5
201.09077	0.8
203.07043	6.6
205.04980	1.0
205.08646	1.2
207.06479	0.8
209.11700	0.8
211.07593	2.5
215.07074	0.8
219.06517	2.7
223.05948	4.6
229.08644	1.0
231.04700	1.1
231.06766	3.3
233.08051	2.5
234.07019	0.7
241.08684	0.8
247.05815	1.0
253.08603	2.0
265.08560	1.0
269.18912	0.7
277.08521	1.0
283.05933	0.9
284.06738	1.5
287.05469	14.1
287.20038	11.3
305.07990	0.9
307.09558	2.0
309.11197	1.4
317.06567	1.5
319.09738	2.0
325.10809	5.3
337.10892	6.2
343.11752	2.8
355.11749	13.4
371.11191	1.2
372.11636	0.9
373.12766	7.5
375.10721	1.6
393.12198	1.2
535.18835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01854	1.8
55.02096	0.5
55.05506	1.0
57.03428	0.6
57.07070	1.1
58.06613	0.6
61.02918	1.8
67.05502	1.5
68.99810	0.7
69.03430	8.1
69.07051	1.7
71.04989	1.5
71.53523	0.8
72.08149	0.8
73.02895	1.2
73.85150	0.5
79.05479	1.8
81.03419	7.1
81.07056	8.7
85.02438	1.0
85.02914	11.9
85.06530	1.8
87.00829	4.3
88.05236	0.5
91.05478	4.3
93.07036	1.5
95.08605	4.6
97.02914	4.4
99.04443	3.0
105.01868	3.0
105.03381	0.8
105.07027	1.8
107.08604	1.1
109.02881	6.0
109.10166	1.7
111.08063	0.6
115.05456	7.0
117.07022	14.5
119.04924	0.7
119.08586	1.3
120.29871	0.6
121.10155	1.0
127.03927	11.0
129.01863	1.3
129.07005	1.6
129.10306	0.5
131.08545	0.9
133.06471	1.2
133.10156	0.6
135.04468	1.2
135.11655	0.7
137.05998	3.4
137.09662	0.6
137.13263	1.0
143.08546	0.6
145.06493	100.0
147.02890	1.1
147.04384	0.7
147.08049	9.7
149.02391	0.5
151.03918	1.5
155.08553	0.6
157.06485	2.6
157.10219	0.5
159.02930	2.9
159.08067	2.9
161.05923	0.9
163.07343	0.6
167.06981	1.3
169.06512	2.0
171.08052	3.4
173.09631	1.5
175.07516	0.8
176.22528	0.5
177.05495	1.3
181.10022	0.7
183.08076	0.7
185.06064	0.8
185.09631	3.4
187.07562	5.8
187.11174	1.2
189.03885	0.5
191.05974	0.6
199.11174	1.6
201.08972	0.7
203.07089	0.6
207.06567	0.8
209.09726	0.5
211.07573	2.5
221.23932	0.5
223.45610	0.5
231.04935	1.0
235.07608	0.6
253.08664	2.4
271.09799	0.7
287.05463	3.6
287.20044	12.5
297.11459	0.5
329.21387	0.5
337.10809	0.6
355.11844	0.6
375.10858	1.0
393.11807	1.1
535.19482	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
53.03950	1.4
55.01875	1.6
55.05517	0.8
55.56919	0.1
55.85080	0.2
57.03441	1.1
57.07072	0.5
61.02929	1.2
65.03954	0.3
67.05506	1.2
68.99798	0.8
69.03436	8.9
69.07076	1.3
70.23397	0.1
70.33066	0.4
71.01357	0.2
71.04986	0.8
71.08615	0.1
73.02931	1.4
79.05502	1.0
81.03424	7.3
81.07066	6.7
82.29961	0.1
83.01344	0.3
83.08616	0.2
84.05361	0.1
85.02911	13.9
85.06551	0.9
87.00838	5.6
87.04465	0.2
91.03940	0.4
91.05488	2.8
93.07063	0.3
95.04962	0.3
95.08617	3.9
97.02903	4.3
97.10160	0.2
99.04466	2.8
99.08105	0.2
101.02414	0.2
103.03941	0.4
103.05470	0.3
105.01880	3.7
105.03378	1.4
105.07042	0.3
106.03759	0.2
107.04938	0.2
107.08595	0.2
109.02888	7.1
109.10170	0.5
111.11747	0.4
115.03947	0.4
115.05465	7.3
116.06277	0.3
117.01875	1.0
117.07029	15.2
119.08582	0.7
123.11688	0.2
127.03930	11.6
128.06250	0.5
129.01857	1.1
129.07007	1.1
131.04912	0.2
131.08606	0.9
133.06509	0.8
133.10133	0.2
135.11658	0.3
137.13257	0.7
141.07019	0.5
143.08597	0.3
144.05716	0.4
145.06496	100.0
146.06889	0.4
147.02910	0.8
147.08055	10.4
153.12770	0.2
155.06078	0.3
155.08595	0.2
157.06490	1.8
157.10091	0.3
158.07303	0.3
159.02905	3.8
159.08081	2.3
161.09625	0.5
163.07581	0.2
167.07103	0.1
167.08545	0.2
169.06525	2.4
169.10161	0.2
170.07285	0.3
171.02954	0.2
171.08061	3.2
173.09677	1.1
175.07529	0.2
178.07704	0.2
182.07329	0.2
183.08011	0.8
184.08810	0.3
184.25240	0.1
185.06009	0.7
185.09634	3.5
187.05888	0.3
187.07565	5.9
187.11145	1.2
189.04030	0.5
189.09190	0.2
195.08052	0.2
197.05936	0.1
197.09657	0.6
199.07562	0.4
199.11172	1.1
201.12804	0.6
205.08643	0.4
207.08020	0.2
211.07562	2.0
211.11192	0.3
213.03983	0.4
213.09131	0.4
213.12758	0.5
225.09129	0.4
225.12683	0.2
227.10724	0.4
227.14284	0.2
231.05006	1.6
235.07549	0.5
237.09035	0.4
241.08640	0.2
253.08627	2.0
255.10229	0.2
261.07599	0.2
269.18973	0.9
271.09616	0.5
287.05704	0.3
287.20071	12.2
289.10776	0.4
293.18939	0.2
299.20099	0.3
311.20135	0.4
313.10541	0.2
329.21204	0.7
339.08765	0.2
341.13733	0.4
353.21066	0.3
357.09714	0.9
365.58746	0.1
373.15924	0.1
375.10818	1.7
377.21094	0.7
393.11951	1.0
395.22134	0.7
499.23175	0.6
517.24463	0.3
535.20251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03320	0.9
53.03931	1.2
53.98941	1.3
55.01873	1.5
58.64118	0.9
61.02955	0.9
67.05512	2.3
70.06586	3.9
70.16151	4.1
79.05488	2.0
79.32633	1.0
81.03429	1.8
81.07063	1.8
84.08131	1.2
85.02905	2.3
91.05475	3.0
93.07021	1.3
95.04986	1.4
97.06522	1.4
105.07024	1.8
107.04965	100.0
107.08560	1.0
116.07091	1.4
120.42236	1.0
131.04936	2.3
133.06502	1.0
135.04410	3.7
137.05965	3.2
143.08502	1.0
149.05928	1.4
150.19456	0.9
151.03917	1.9
151.06430	1.7
151.07556	16.5
161.05936	1.2
163.03964	1.3
177.05533	1.6
178.22234	1.0
181.05016	1.6
185.14908	1.1
187.03935	1.6
189.05470	1.8
189.09023	1.6
190.95125	1.0
193.04984	3.1
193.08614	1.5
201.05463	2.1
205.04996	4.0
205.08710	1.5
207.06525	2.7
217.04979	1.4
219.06538	5.8
219.10118	1.3
229.05075	1.4
231.06477	3.8
231.10201	2.0
233.07985	2.0
235.06190	1.3
235.09651	3.2
247.06062	3.4
247.09656	1.8
249.07520	5.2
249.11198	2.0
259.06076	1.8
259.09619	1.5
261.11243	4.1
271.06036	1.0
271.09857	1.1
273.07623	1.9
273.11224	5.2
287.12711	1.7
289.10846	1.9
291.12170	3.1
311.09344	1.3
313.10556	1.3
315.12189	2.7
325.10794	1.6
339.12146	2.6
341.13702	3.6
353.10144	1.4
353.13974	1.1
355.11584	4.8
355.15570	4.2
367.15436	9.7
373.16406	1.5
379.11386	2.2
379.15463	3.4
395.14822	3.2
397.16592	12.4
402.10306	1.2
407.14871	2.7
419.15195	1.8
421.16605	9.3
433.16553	4.7
437.15759	1.9
439.13876	1.8
445.16431	4.5
446.13077	1.8
451.17859	1.6
455.16788	3.0
457.14725	2.3
463.17560	5.0
473.18292	6.8
481.18689	6.0
499.19727	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	535.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
56.61840	1.2
57.86953	1.1
67.05501	2.5
69.03407	1.0
69.17240	1.1
69.72376	7.0
70.06601	1.9
79.05492	3.1
81.07051	1.9
84.08138	1.5
85.02906	1.9
86.09682	1.7
97.06505	1.6
98.12521	1.0
98.21402	1.5
105.07008	2.0
107.04964	100.0
107.08614	1.5
109.16282	1.0
127.51375	1.2
131.04893	1.2
135.04384	2.1
137.05956	2.4
151.03888	1.7
152.14876	1.3
163.03912	1.9
175.04059	1.5
184.07338	3.0
189.05455	2.3
193.04953	1.8
201.05484	2.0
203.07001	2.7
205.05028	2.8
207.06477	3.5
217.05096	1.5
219.06548	3.7
231.06573	4.3
231.10115	2.5
233.08009	1.7
235.09686	4.1
245.08250	2.1
247.06009	3.3
249.07602	5.5
259.09537	1.8
261.11258	5.6
271.05792	1.4
273.07681	2.5
273.11224	6.1
287.12631	1.3
291.12344	2.8
315.12128	4.0
337.10849	1.4
341.13794	4.2
355.11597	6.6
355.15497	4.3
367.15475	8.9
371.14667	1.4
379.11414	2.1
379.15445	3.8
380.82681	1.2
395.14743	3.9
397.16510	14.7
403.12112	1.5
407.14926	4.0
421.16742	9.4
433.16455	4.7
439.14050	1.7
445.16440	3.1
450.60123	1.2
451.17456	1.6
457.14713	3.2
463.17502	5.0
473.18106	7.1
481.18481	8.0
499.19769	5.7
535.28503	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.05514	0.7
57.03443	0.8
58.06593	0.7
59.05000	0.7
65.03944	0.6
67.05495	1.1
69.03432	2.3
69.07030	0.4
70.06583	1.3
71.04996	0.9
72.08156	0.6
72.61037	0.3
79.05495	1.6
81.03416	3.4
81.07081	2.2
83.05001	0.5
84.08134	0.4
85.02919	3.1
85.06538	0.7
86.09698	0.4
87.04450	0.5
91.05488	9.0
93.07053	2.6
94.07412	0.3
95.04985	0.6
95.08591	1.0
97.02911	1.8
99.04441	0.6
105.03398	0.4
105.07030	1.7
106.06530	0.5
107.04971	1.0
107.08603	1.0
108.49547	0.3
109.02874	1.4
109.06525	0.3
109.10182	0.6
116.07091	0.9
117.03440	0.8
119.04957	17.7
119.08596	1.2
121.06515	1.0
121.10133	2.1
127.03911	1.2
128.07111	0.4
129.05476	0.4
129.07074	0.4
131.04958	1.4
131.08542	1.2
133.06525	0.7
133.10120	0.8
134.06010	0.4
135.04440	3.7
135.08075	0.6
135.11728	0.6
136.04776	1.1
137.04985	0.5
137.05968	2.7
141.05502	0.4
145.02850	1.9
145.06497	1.2
145.10164	0.5
147.04425	100.0
147.11710	0.5
148.04872	0.6
149.02377	0.7
149.05998	0.6
149.09628	2.6
151.03947	1.7
151.11215	0.5
153.01901	0.4
153.05490	0.7
159.08044	0.8
161.05991	1.2
161.09653	0.4
162.06750	0.6
163.03917	1.1
163.07544	0.8
163.11180	0.5
165.05507	4.8
167.03485	0.4
167.07048	0.7
175.03931	2.2
175.07626	0.8
177.05489	3.8
181.04950	0.6
181.08647	0.4
181.10175	0.4
187.07538	0.7
189.05524	0.4
190.08713	0.4
191.10692	0.5
201.05493	1.3
203.07092	0.6
207.06532	3.8
207.08212	0.5
209.11674	0.8
215.07182	0.5
219.06548	1.0
234.06737	0.4
265.08618	0.4
277.08566	0.4
287.05536	7.3
291.08646	3.1
305.08179	0.5
309.09674	6.8
325.10724	1.1
337.10748	1.4
355.11746	0.8
372.11609	0.7
373.12207	1.9
439.18335	0.3
535.19312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
53.03949	0.8
53.22319	0.4
55.01862	1.0
61.02932	0.6
61.63313	0.4
62.06467	0.5
65.03935	0.8
67.05509	0.6
69.03427	1.5
70.06604	3.3
71.05000	1.0
71.06902	0.4
71.52171	0.6
72.08163	1.0
73.02922	0.4
73.69397	0.4
79.05495	1.5
81.03408	1.8
81.07054	1.3
84.04515	0.7
84.08134	1.5
85.02907	4.2
86.09709	1.5
91.05481	1.3
93.07036	1.1
93.22422	0.4
94.04194	1.4
95.05001	0.6
95.08633	1.2
97.02890	1.6
97.06557	0.6
103.04803	0.8
103.05478	15.5
105.07034	2.3
107.04964	1.0
107.08603	1.3
109.02860	1.1
109.10185	0.7
111.04427	1.5
111.08093	0.5
115.05493	1.0
116.07092	2.9
117.07066	0.4
119.08572	1.9
121.06570	0.5
121.18420	0.4
122.03664	4.4
123.04471	1.0
123.08043	0.5
125.06009	0.6
127.03925	1.5
129.07040	1.4
131.04936	30.8
133.06517	2.0
133.10138	2.7
135.04424	2.1
135.08104	0.4
137.05986	100.0
139.03911	0.7
141.81097	0.4
145.04944	0.8
145.06503	0.6
147.04385	0.8
149.02357	6.6
151.03911	6.0
151.04999	0.8
151.07545	8.6
152.01050	0.8
153.05489	4.6
157.06483	1.7
159.04419	5.2
159.08136	0.4
160.05191	0.7
161.05977	3.2
162.06773	1.4
163.07562	12.1
165.09120	0.7
167.03419	19.9
167.07056	1.4
171.04355	0.5
175.07558	1.8
175.14844	5.1
177.05489	1.3
177.09087	1.1
179.03458	0.5
187.07480	0.7
189.05473	0.6
189.09148	1.5
191.07056	1.5
193.05026	0.7
193.08578	2.0
193.15953	1.0
201.05510	1.8
203.07050	2.1
205.08588	0.9
209.08157	1.4
211.16899	0.7
219.06575	1.3
221.08054	2.1
227.09073	0.6
231.06522	0.6
233.08043	0.5
242.14780	0.4
283.06128	0.4
287.04907	0.4
305.08072	0.6
325.10638	1.8
337.10794	1.2
343.11713	6.2
355.11896	2.6
373.12839	79.5
374.13315	0.6
402.91678	0.4
439.13446	0.5
497.71832	0.4
517.18689	1.3
535.18573	0.5
547.28406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1817
Annotation	3,5,7,3',4'-Pentahydroxy-6-prenylflavanone 7-glucoside
Peak:m/z	Relative Intensity
51.02374	0.6
53.03949	0.8
53.22319	0.4
55.01862	1.0
61.02932	0.6
61.63313	0.4
62.06467	0.5
65.03935	0.8
67.05509	0.6
69.03427	1.5
70.06604	3.3
71.05000	1.0
71.06902	0.4
71.52171	0.6
72.08163	1.0
73.02922	0.4
73.69397	0.4
79.05495	1.5
81.03408	1.8
81.07054	1.3
84.04515	0.7
84.08134	1.5
85.02907	4.2
86.09709	1.5
91.05481	1.3
93.07036	1.1
93.22422	0.4
94.04194	1.4
95.05001	0.6
95.08633	1.2
97.02890	1.6
97.06557	0.6
103.04803	0.8
103.05478	15.5
105.07034	2.3
107.04964	1.0
107.08603	1.3
109.02860	1.1
109.10185	0.7
111.04427	1.5
111.08093	0.5
115.05493	1.0
116.07092	2.9
117.07066	0.4
119.08572	1.9
121.06570	0.5
121.18420	0.4
122.03664	4.4
123.04471	1.0
123.08043	0.5
125.06009	0.6
127.03925	1.5
129.07040	1.4
131.04936	30.8
133.06517	2.0
133.10138	2.7
135.04424	2.1
135.08104	0.4
137.05986	100.0
139.03911	0.7
141.81097	0.4
145.04944	0.8
145.06503	0.6
147.04385	0.8
149.02357	6.6
151.03911	6.0
151.04999	0.8
151.07545	8.6
152.01050	0.8
153.05489	4.6
157.06483	1.7
159.04419	5.2
159.08136	0.4
160.05191	0.7
161.05977	3.2
162.06773	1.4
163.07562	12.1
165.09120	0.7
167.03419	19.9
167.07056	1.4
171.04355	0.5
175.07558	1.8
175.14844	5.1
177.05489	1.3
177.09087	1.1
179.03458	0.5
187.07480	0.7
189.05473	0.6
189.09148	1.5
191.07056	1.5
193.05026	0.7
193.08578	2.0
193.15953	1.0
201.05510	1.8
203.07050	2.1
205.08588	0.9
209.08157	1.4
211.16899	0.7
219.06575	1.3
221.08054	2.1
227.09073	0.6
231.06522	0.6
233.08043	0.5
242.14780	0.4
283.06128	0.4
287.04907	0.4
305.08072	0.6
325.10638	1.8
337.10794	1.2
343.11713	6.2
355.11896	2.6
373.12839	79.5
374.13315	0.6
402.91678	0.4
439.13446	0.5
497.71832	0.4
517.18689	1.3
535.18573	0.5
547.28406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1818
Annotation	Phellatin
Peak:m/z	Relative Intensity
51.02376	0.7
53.03949	1.9
53.64022	0.3
55.01873	2.1
57.03441	1.7
61.02929	2.1
65.03941	2.1
67.05503	1.2
68.99799	0.4
69.03083	0.6
69.03435	5.9
71.01341	0.4
71.04980	0.6
73.02914	0.7
77.03953	0.5
79.05511	2.0
81.03426	9.6
85.02912	14.1
87.04485	0.7
91.03989	0.5
91.05482	0.6
93.03400	1.6
94.04174	0.7
95.04966	2.0
97.02897	5.0
99.04472	1.0
103.05451	0.9
105.03382	0.8
105.04499	0.6
107.04949	0.9
108.02112	1.7
109.02897	1.9
109.06541	1.0
111.04465	0.9
115.05463	2.5
117.07034	1.3
119.04987	0.7
122.03657	1.4
123.04395	0.7
125.06022	1.2
127.03917	2.2
128.06216	3.5
129.07016	15.3
131.04930	2.2
133.02870	0.5
135.04427	61.6
136.01549	0.4
136.04749	0.9
137.05989	25.5
141.05499	1.7
143.04919	4.8
145.04993	1.4
145.06451	1.7
147.04453	0.9
147.08054	0.7
149.01158	0.6
149.02359	13.0
149.05995	1.1
151.03920	100.0
151.05025	8.3
153.05437	2.5
155.04907	0.7
155.06047	0.7
157.06499	17.3
159.04390	1.8
160.05196	1.2
161.06006	1.8
163.03902	1.2
165.05511	2.7
167.06990	0.4
171.04420	3.4
172.05161	0.5
172.88120	0.4
173.06000	3.5
174.06830	0.5
175.03979	0.5
175.07588	3.6
176.04791	0.6
177.05618	0.6
179.07053	1.5
179.08418	0.3
181.05013	0.5
183.04468	1.1
185.05992	2.4
186.06763	0.6
187.03934	0.4
187.07556	14.4
188.04778	0.8
189.05473	4.0
189.07011	0.7
189.09120	1.8
191.07034	4.0
191.08592	1.0
195.06540	0.4
201.05475	12.0
203.07045	20.7
205.06732	0.4
205.08594	6.0
207.08141	0.7
213.05472	1.0
215.07111	1.7
217.06699	0.4
218.07213	0.7
219.06169	2.1
219.08330	2.9
221.08136	4.1
231.06531	8.8
233.08055	6.2
234.06728	0.4
235.07555	1.6
241.04994	1.1
247.07498	3.5
248.08342	0.6
249.07474	1.0
249.09625	0.4
259.07547	1.9
261.09183	1.1
263.07037	1.6
264.07880	1.5
265.08481	0.7
267.06516	0.4
267.10178	1.4
274.06259	0.5
275.07092	1.6
276.07803	0.7
277.08578	3.7
279.10135	2.6
282.08859	1.5
283.06100	1.8
284.06808	5.8
285.07520	0.5
287.06992	1.3
289.08444	0.8
291.10193	0.6
292.07339	0.8
293.08099	1.5
294.08731	0.5
295.06464	0.4
295.09497	1.9
297.11215	0.9
303.05042	0.7
304.07364	0.6
305.08105	2.4
306.08786	0.9
307.09631	4.4
309.11172	3.9
310.08398	0.9
319.09726	5.7
322.08344	1.0
323.65875	0.4
325.06851	0.8
325.10709	15.8
327.12045	0.4
337.10736	19.0
339.12509	0.5
343.11804	6.1
355.11780	46.5
357.13278	1.8
373.12833	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	535.1817
Annotation	3,5,7,3',4'-Pentahydroxy-6-prenylflavanone 7-glucoside
Peak:m/z	Relative Intensity
51.02389	0.7
53.00305	0.5
53.03949	1.3
55.01879	3.6
57.03437	1.2
58.64589	0.6
61.02921	1.6
65.03950	3.6
68.99795	0.8
69.03436	5.0
70.06585	1.1
71.04992	0.9
71.07782	0.7
73.02898	0.6
79.05495	1.4
79.93236	0.4
81.03428	13.7
81.07056	1.0
85.02915	11.7
91.05477	1.4
93.03403	1.5
94.04184	0.6
95.01339	1.7
97.02897	4.5
99.04506	0.8
103.05496	0.9
105.03423	0.9
107.04929	1.2
109.02875	1.4
109.06506	1.2
111.04446	1.1
115.05465	3.3
116.07098	1.9
117.07044	1.8
119.04955	1.2
121.02861	2.1
122.03680	2.5
123.04438	1.5
127.03938	2.2
128.06265	3.0
129.07025	13.8
131.04935	3.3
133.02888	0.6
135.04437	27.4
137.05995	52.0
139.03894	1.0
143.04944	3.9
145.04973	2.0
145.06520	1.9
147.04453	3.4
147.08127	0.6
149.02362	100.0
149.03337	3.5
151.03925	16.9
151.04999	1.0
155.04932	1.0
155.06084	0.6
157.06503	12.8
159.04422	1.9
160.05284	0.8
161.06000	2.8
163.03894	2.0
163.07599	0.8
165.05505	1.4
171.04407	4.0
172.05229	0.6
173.05984	4.1
174.06837	2.2
175.04054	0.6
175.07533	2.8
177.05495	5.1
179.03337	0.6
183.04625	0.5
185.05998	2.0
187.07541	4.7
189.05544	7.8
189.09126	8.8
191.07068	1.3
191.08589	1.2
201.05495	28.7
202.05919	0.6
203.07053	14.7
205.08611	1.6
207.08090	0.6
213.05527	1.3
215.07040	0.8
217.06592	0.7
218.07251	0.5
219.06403	7.7
219.08202	2.1
221.08041	0.7
231.06490	9.7
233.08112	5.8
235.07642	1.0
236.08253	0.8
238.51924	0.6
246.06755	1.1
247.07629	2.9
249.07529	0.8
251.09070	0.8
259.07715	1.3
261.09088	1.5
262.06351	0.9
263.07169	0.9
265.08682	0.9
275.07034	1.4
277.08582	3.1
279.10104	1.6
282.08856	1.0
283.06070	0.9
284.06876	3.3
287.05344	3.2
289.08737	1.2
293.08096	2.0
294.08835	1.0
295.09708	1.4
304.07370	1.6
305.08170	4.9
306.08813	0.7
307.09537	2.7
309.08218	0.6
309.11142	2.9
310.08490	0.9
319.09695	6.4
322.08359	1.0
325.10745	13.6
337.10736	16.2
339.12335	1.4
343.11911	3.0
355.11792	31.6
356.12219	0.6
357.13382	2.6
373.12848	14.2
435.72989	0.5
521.81964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1091
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03942	0.6
55.01871	0.4
55.05511	0.4
57.03439	0.6
61.02928	0.8
65.03968	0.2
67.05473	0.4
68.99805	0.7
69.03439	10.9
70.06606	1.7
71.04986	1.0
71.41454	0.3
71.41824	0.3
72.08167	0.2
73.02937	0.3
81.03428	4.8
81.07060	0.2
84.08150	0.6
85.02915	6.2
86.09702	0.5
87.00842	2.9
89.53983	0.2
91.05473	0.4
93.07049	0.4
95.05022	0.2
97.02900	6.9
99.04462	1.2
103.05508	0.3
105.01884	1.1
105.03379	0.3
105.06996	0.3
107.04976	0.4
109.02891	3.2
109.10207	0.3
111.00800	0.7
116.07079	0.5
118.06879	0.4
119.08588	0.4
121.02882	3.0
121.03754	0.4
126.86812	0.2
127.03940	6.3
133.02809	0.2
135.04413	1.3
135.11674	0.2
136.00810	0.2
136.04768	0.3
137.02377	0.8
137.05997	0.5
145.04994	0.6
145.06488	0.4
147.04417	0.7
151.03928	0.9
151.07515	0.3
153.01833	3.2
157.06543	0.5
159.02904	0.9
163.03952	0.3
165.01857	1.9
171.04410	0.4
177.05434	0.4
183.02901	1.1
185.05986	0.4
189.05492	0.3
203.07037	0.3
213.05518	1.1
213.07356	0.3
231.04881	2.7
231.06949	0.2
241.04985	0.6
258.05295	0.9
259.06070	0.7
269.21121	0.3
287.05530	100.0
299.05432	0.7
353.06400	0.3
365.06290	0.3
371.11176	0.3
372.11594	0.3
373.12195	0.7
389.12305	0.3
431.18869	0.4
517.19159	0.5
535.20361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1085
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03925	0.3
54.08217	0.1
55.01874	0.3
57.03426	0.4
61.02921	0.5
68.99797	1.0
69.03436	6.4
69.40935	0.1
69.48067	0.8
70.06586	0.6
71.01344	0.1
71.04988	0.4
73.02940	0.8
73.03252	0.2
79.05495	0.2
81.03423	4.2
82.13944	0.1
84.08157	0.2
85.02912	3.9
87.00837	4.4
91.03946	0.6
97.02293	0.2
97.02896	2.9
97.75017	0.1
98.21542	0.2
99.04481	1.0
105.01880	1.6
105.03378	0.3
107.04980	0.4
109.02900	2.1
111.00819	0.5
115.03944	0.2
116.07104	0.2
117.01871	1.3
121.02868	2.3
126.86794	0.2
127.03921	3.7
129.01880	0.2
131.04994	0.2
133.02858	0.5
135.04437	0.5
137.02325	0.8
137.05995	0.3
145.04971	1.0
145.05957	0.1
145.06471	0.1
147.02908	0.2
147.04419	0.5
149.02345	0.2
151.03925	0.4
153.01843	3.7
157.06511	0.4
159.02908	3.6
161.05957	0.2
165.01866	1.9
167.07071	0.2
171.04453	0.2
183.02919	0.7
185.06020	0.5
189.05475	0.3
197.05937	0.2
203.07065	0.3
213.03938	0.2
213.05525	1.4
231.04846	2.5
241.04944	0.8
243.06532	0.2
258.05240	1.3
259.06042	0.4
269.04440	0.2
287.05511	100.0
288.05795	0.6
299.05688	0.1
300.45627	0.1
327.88202	0.1
329.06543	0.4
353.06525	0.2
355.11462	0.2
373.12744	0.3
395.07623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76999	1.8
53.91562	2.1
55.05515	20.4
57.03442	4.7
57.07071	8.6
60.07738	1.8
61.02926	6.0
64.06789	2.0
67.05510	74.9
69.07072	30.3
69.73907	5.2
69.74319	4.0
71.08623	5.2
77.03928	2.0
79.05496	21.4
81.07062	100.0
83.04949	2.3
83.08625	20.5
85.02904	3.6
85.06500	1.8
85.10191	2.6
86.09681	3.8
88.30338	1.8
91.03963	3.0
91.05482	14.3
93.06488	2.3
93.07050	27.8
95.04964	2.0
95.08611	82.6
97.02896	2.1
97.06546	9.2
97.10173	15.4
99.08073	5.3
104.10745	7.2
105.07034	14.8
107.08611	16.6
109.06537	2.1
109.10162	40.8
111.08074	3.9
111.11723	4.9
113.09656	2.0
119.08591	10.7
121.10146	25.1
123.11717	21.5
125.00041	2.2
125.09640	2.2
125.13371	2.3
127.03939	2.5
127.11185	3.0
133.10146	17.4
135.11702	14.1
137.09665	4.0
137.13269	11.4
141.12752	3.9
147.11688	10.8
149.13245	10.2
151.11249	2.3
151.14825	6.0
155.14317	4.0
161.13232	11.8
163.14848	9.5
165.16388	11.3
175.14854	14.1
179.17940	10.9
181.15936	2.6
184.07327	7.6
189.16360	4.6
217.19583	2.3
221.79283	1.9
224.33548	2.0
229.22542	1.9
240.21584	1.9
245.22672	74.6
263.23718	99.4
276.98544	2.0
337.27377	67.0
355.28531	9.0
448.03424	2.1
464.02448	1.9
499.32602	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	534.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.4
59.23975	1.8
67.05498	6.5
67.20492	2.0
71.53110	2.7
72.08139	11.8
79.05499	10.5
81.07066	14.4
83.04980	4.5
84.26355	2.4
86.27872	2.0
89.94653	2.3
91.05499	17.3
93.07049	11.5
94.06551	2.4
95.04978	42.0
95.08603	3.3
105.07035	51.6
107.04959	2.4
107.08601	3.2
117.07008	4.8
119.08595	4.0
121.10159	10.0
129.06996	3.8
131.08585	16.7
132.89149	2.5
133.06505	12.4
133.21971	2.5
145.10121	13.6
149.09636	21.0
149.84653	2.3
162.06285	2.3
163.11226	2.8
230.49825	2.3
262.18033	100.0
262.25369	2.6
280.19177	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	534.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03425	0.9
58.06570	0.8
60.49099	0.6
65.03941	1.3
67.05511	1.0
68.99793	4.3
69.03427	1.1
70.06594	7.5
71.03068	1.5
71.04987	3.1
72.08160	1.6
79.05482	0.8
81.03426	0.8
84.04500	1.2
84.08151	50.3
85.02922	3.9
86.09720	0.9
91.05482	1.7
95.04974	2.6
97.02899	1.3
99.04484	0.7
102.67190	0.7
103.05451	0.7
105.07031	2.4
107.04999	0.8
109.02882	1.2
111.04479	0.9
117.07040	0.7
119.08581	0.9
121.02881	30.9
121.06510	2.4
123.04514	0.9
124.07576	0.9
133.06497	2.9
135.04382	1.1
135.08086	1.4
139.03879	0.7
145.06432	1.2
147.04466	1.4
147.08043	0.8
148.06087	1.3
151.03893	0.8
152.07140	1.4
154.33290	0.7
157.06456	0.9
161.06041	4.7
161.09576	1.0
163.03944	6.7
163.07526	1.6
165.05505	0.7
167.10957	0.7
171.08043	1.4
173.06032	2.0
175.07571	1.6
177.05505	2.6
178.08743	1.1
179.06958	0.9
185.06030	1.8
187.07617	1.7
189.05511	2.8
189.09109	0.9
191.03421	1.6
191.07027	5.4
193.08594	3.2
199.04167	0.8
201.05484	2.3
202.08568	0.9
203.07101	3.7
204.10272	1.0
205.05002	3.6
213.05360	0.8
213.09341	0.7
214.08789	1.0
215.07104	2.4
217.05022	8.6
217.08734	0.8
218.08173	2.4
219.06520	0.9
222.11288	2.6
225.05338	0.9
227.07193	1.5
228.06592	2.6
228.10396	0.8
229.05063	2.1
229.08627	0.9
230.08243	3.5
231.06665	1.2
232.09535	0.7
233.08160	0.9
234.11319	2.4
236.09254	2.6
241.05048	0.9
242.08176	1.9
242.11656	0.8
243.06552	1.3
245.08144	1.7
246.07716	1.6
246.11259	0.7
247.06071	3.5
248.09192	10.9
252.12292	1.7
255.06607	1.9
256.09732	1.1
257.04587	0.7
257.08203	4.0
259.06116	1.0
260.09323	2.1
264.12479	0.8
267.06604	0.8
270.11322	2.3
271.06088	2.8
272.12509	0.7
274.92581	0.7
276.12344	2.6
278.10239	4.2
283.06070	2.3
285.07541	1.3
287.09073	1.6
288.12405	3.9
295.06030	1.5
296.09372	1.0
300.12341	1.1
301.07126	1.4
302.10327	6.4
305.10489	0.8
307.09702	1.3
309.07663	1.0
313.07007	3.4
314.10269	8.2
316.11856	2.9
317.08157	1.0
318.13419	2.5
326.10220	1.6
331.08206	1.5
332.11212	2.0
335.08994	3.5
336.14481	2.8
342.13315	2.4
344.11240	5.0
346.10736	1.4
347.09213	1.9
348.12250	2.1
354.15558	6.2
362.08026	1.5
362.12335	15.0
366.13416	2.4
372.10788	1.3
372.15744	0.7
375.12662	1.2
380.13440	18.2
384.14420	1.1
389.10431	1.2
396.14346	1.6
398.14664	1.4
414.15607	5.5
420.14413	1.7
438.15427	6.1
444.15048	2.2
450.15277	1.8
462.15506	2.3
468.16574	2.0
480.16708	4.5
490.17310	2.6
498.17630	18.7
516.18695	100.0
534.19727	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	534.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
55.48354	0.5
56.05031	0.6
57.03420	0.9
60.04528	0.9
61.02907	0.7
65.03938	1.2
67.05502	1.3
68.05023	0.7
68.99797	4.9
69.03439	0.9
69.80381	2.8
69.99971	0.5
70.06599	8.5
71.04989	1.6
72.06989	0.5
72.08147	1.5
80.56495	0.6
82.06580	1.1
84.08150	51.6
85.02908	3.7
93.03380	0.9
95.04977	2.8
97.02883	1.1
101.08382	0.6
105.07030	0.7
107.04942	1.1
116.07102	1.2
119.08547	0.6
121.02876	30.9
121.06487	3.9
123.04416	1.6
123.94943	0.6
124.07642	1.0
128.06259	0.7
131.04875	0.7
133.06477	1.3
135.04465	0.7
137.05983	1.0
137.27496	0.6
139.03909	0.7
145.06477	1.0
147.04446	1.3
147.08047	1.5
149.05974	0.7
151.03938	0.7
152.07042	1.6
157.06462	1.4
159.08090	0.7
160.26157	0.6
161.06027	1.5
161.09613	0.8
163.03928	7.6
163.07591	1.7
165.05486	0.8
167.41913	0.5
171.08109	0.8
173.06000	2.1
175.03981	0.9
175.07593	2.0
177.01967	0.6
177.05511	2.0
178.08681	1.0
179.07037	0.7
185.06032	1.6
186.09145	0.6
187.07573	1.6
189.05481	2.4
189.09097	0.9
191.03369	1.0
191.07030	5.9
199.07530	1.5
201.05490	1.6
203.03430	1.6
203.07089	3.0
204.10248	1.1
205.04991	3.9
207.06644	0.9
211.07561	0.6
213.05351	0.9
214.08656	1.4
215.03441	0.7
215.07047	1.6
216.10367	0.7
217.04999	7.5
217.08701	0.8
218.08107	1.1
219.06572	1.1
221.08076	1.0
222.11263	3.5
225.05504	0.8
227.07115	1.3
228.06560	2.6
228.10249	1.0
229.05083	1.9
229.08733	0.6
230.08162	3.7
231.06508	1.1
233.08247	0.7
234.11307	2.1
235.06140	1.6
236.09174	3.2
239.07092	1.3
241.08701	1.4
242.08237	1.7
242.11774	0.8
243.06657	2.1
245.04410	1.0
245.08159	2.4
246.07677	1.8
247.05981	4.2
248.09209	10.5
252.12437	1.3
255.06523	1.8
257.08118	2.4
259.06104	1.3
260.09146	3.2
267.06491	1.0
270.11276	1.7
271.06046	2.4
276.12326	2.3
278.10254	5.6
280.09698	0.7
283.05991	3.7
284.09296	0.8
285.07465	1.3
287.09033	1.4
288.12305	2.7
290.10303	0.7
295.06046	1.8
296.09329	1.2
298.10925	1.6
300.12289	1.8
301.07120	1.3
302.10287	6.2
307.09561	0.9
309.07706	0.9
313.07114	3.2
314.10266	9.4
316.11853	1.6
318.13428	2.1
321.07547	0.8
326.10431	1.2
331.08139	0.9
332.11490	1.3
334.27948	0.6
335.09003	2.8
336.14508	3.4
342.13425	1.4
344.11316	5.8
346.10889	0.9
347.09137	2.1
348.12225	2.3
349.09833	0.8
354.15555	7.8
362.12366	14.9
366.13492	2.7
372.14780	1.0
375.12366	1.0
378.13315	1.2
380.13391	19.6
384.14420	1.6
396.14645	1.7
398.14508	1.9
414.15610	6.3
420.14502	1.8
438.15552	5.8
444.15103	1.9
450.15439	3.2
462.15445	2.5
468.16846	1.5
480.16611	5.8
490.17068	0.9
498.17648	18.9
516.18695	100.0
517.18982	1.6
534.19775	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.436
Annotation	2-Hexaprenyl-6-methoxyphenol
Peak:m/z	Relative Intensity
53.03943	2.4
55.05516	10.1
57.07083	6.7
67.05512	12.0
69.07074	48.8
71.08620	2.1
72.48315	0.9
79.05492	9.4
81.07063	100.0
83.08624	10.0
91.05492	5.0
93.07050	8.5
95.08617	32.0
95.09064	0.7
95.09241	1.2
97.10181	5.9
98.20757	2.9
103.05457	1.4
105.04554	0.9
105.07027	3.4
107.08624	6.5
107.45093	0.9
109.10174	15.0
111.11721	5.1
115.05485	2.7
117.07044	3.1
119.08607	2.3
121.06607	1.9
121.10131	4.7
123.08083	1.3
123.11715	13.1
128.06181	2.5
129.07036	7.7
131.04944	4.1
131.08609	5.7
133.10106	1.2
135.04462	1.8
135.11717	5.6
137.05980	14.2
137.13269	18.5
141.07005	1.2
142.07794	2.1
143.08598	5.0
144.05701	1.2
145.06496	5.9
145.10123	2.3
149.13287	2.8
151.07553	16.5
151.14815	1.6
155.08559	1.8
157.06485	8.4
157.10150	3.4
158.07343	2.2
159.08035	8.9
160.05232	2.6
161.06012	2.5
161.09656	1.4
162.06802	1.9
163.07556	8.6
165.09146	4.0
169.10141	1.2
170.07344	1.5
171.08047	6.8
171.11771	1.8
173.05933	2.1
173.09669	2.3
174.06749	5.9
175.07559	17.0
176.08348	2.4
177.09105	17.9
179.10658	1.2
185.09622	5.2
187.07553	3.9
187.11269	1.3
188.08363	3.6
189.07408	1.9
189.09126	37.2
191.10684	34.9
191.18062	1.7
195.00267	1.0
197.09674	1.7
199.11281	3.4
201.09114	9.1
202.09944	2.2
203.10686	19.6
205.12270	5.0
209.09560	2.0
213.09093	2.0
213.12631	1.3
215.10709	5.5
216.11539	2.0
217.12254	23.1
219.21167	1.5
225.12883	1.6
227.10814	3.5
229.12233	5.9
229.39409	1.1
231.13779	5.4
233.15413	1.2
241.12289	1.5
241.15810	3.1
243.13846	4.8
245.15375	2.7
257.15384	3.5
259.16977	2.2
269.15347	1.2
271.16937	6.3
273.18527	49.0
283.16971	1.9
285.18442	4.6
287.20071	3.4
297.18442	1.4
299.20151	2.5
313.21741	3.7
325.21597	3.1
327.23190	4.5
339.23190	3.1
341.25003	1.3
353.24658	2.1
367.26624	1.5
383.29434	1.1
395.29315	2.8
409.31049	11.3
423.32288	1.7
449.34268	2.7
451.35745	16.5
533.43762	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	533.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.6
57.07068	7.6
61.26683	2.0
65.03931	3.0
67.05508	21.1
67.18118	1.8
69.07070	48.4
71.08625	2.3
71.52905	1.9
71.53353	2.2
73.59472	1.6
76.34097	2.1
79.05496	14.3
81.07060	100.0
83.08618	10.9
91.05486	9.3
93.07050	16.0
95.08610	52.1
97.10163	5.1
98.93487	1.8
105.07024	8.0
107.04963	5.0
107.08590	17.7
109.10169	28.4
111.11722	2.7
115.05407	2.6
117.06985	3.9
119.08585	7.5
121.10144	15.7
123.11707	19.3
131.08565	3.5
133.06488	4.4
133.10123	6.7
135.11670	12.2
137.13243	19.7
141.06885	2.2
145.06488	3.0
145.10114	2.3
147.11667	4.9
149.13278	8.8
151.14807	6.0
155.08594	2.5
157.06487	4.7
159.08075	3.7
159.11659	3.0
161.06000	4.7
161.13298	4.4
163.14836	4.9
167.07063	15.6
167.08449	2.9
170.07280	3.8
171.08090	3.2
175.07590	5.9
175.14818	4.0
177.05562	4.3
177.16382	7.8
179.17917	2.1
181.06476	3.2
181.08650	4.3
181.10152	3.1
183.08049	3.8
185.09586	4.0
187.07628	6.1
189.16438	2.2
191.17972	6.2
193.08627	5.6
195.08086	4.0
196.09004	2.9
197.09520	2.8
201.09138	2.2
203.17871	3.4
205.08611	4.0
205.19536	1.9
207.10222	7.9
209.09625	3.5
211.11292	1.6
213.09116	5.5
215.10637	2.0
215.18106	2.0
217.08545	6.2
219.10127	14.5
221.11784	3.7
227.10789	4.4
231.10216	7.8
233.11739	5.8
238.93336	1.9
239.10661	2.4
243.10196	5.0
245.11742	24.5
245.35013	2.0
247.13269	5.7
253.12236	2.8
257.11703	8.7
259.13297	9.9
259.24249	2.4
261.25803	2.0
269.11774	2.3
271.13251	10.5
273.14810	9.5
284.95587	2.0
285.14948	5.1
287.16370	2.9
301.18130	2.7
309.18536	2.5
315.19611	2.9
339.19553	2.5
383.25757	2.1
395.25711	2.3
409.27502	3.9
422.14670	2.0
423.28690	2.3
451.32138	3.0
484.33804	2.0
501.37619	4.3
533.27661	3.6
533.39954	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.6
55.05529	0.5
56.05049	0.7
57.03456	0.5
58.06606	100.0
67.05509	0.6
69.03442	1.5
69.70693	1.9
69.96569	0.3
70.06601	1.0
72.08194	0.4
75.04483	0.3
79.05511	2.0
81.03442	1.3
81.07079	1.4
85.02934	1.6
86.09727	0.8
91.05492	2.0
93.07049	7.6
95.04978	0.8
95.21508	0.3
97.02927	0.9
103.05515	0.4
105.07063	1.2
107.04975	0.4
107.08624	1.2
109.02878	0.8
109.10165	0.4
115.05502	1.0
119.05017	0.5
119.06779	0.3
119.08638	0.9
121.06542	0.6
121.10154	6.3
127.03916	0.7
130.06470	0.4
131.04950	1.3
131.08611	0.7
132.05740	0.8
132.08154	1.4
133.10150	0.4
135.04448	1.4
137.05986	2.4
146.06024	3.6
147.04419	0.7
147.11734	0.5
149.02313	0.6
149.09651	2.0
151.03902	3.6
151.05013	0.5
153.05432	0.3
159.06813	0.8
160.07593	17.4
161.06107	0.5
161.07918	0.4
162.06769	0.4
163.03897	0.6
163.07622	0.4
167.07121	0.8
167.10645	0.4
171.06883	0.6
172.07631	1.3
174.09171	3.2
177.05530	1.5
178.05016	0.8
178.08649	0.5
179.07007	0.3
180.07991	0.4
184.07680	0.8
186.09174	7.5
187.03859	0.9
188.06941	0.3
190.08704	0.5
191.07059	1.3
192.07843	4.0
195.06572	0.6
201.05521	0.4
202.08669	0.6
203.07141	0.3
203.11873	4.0
205.13354	4.5
206.04515	2.4
207.06522	0.7
209.08302	0.3
210.08966	0.4
212.10876	0.4
219.06607	0.5
237.07613	0.8
248.70695	0.3
261.07608	0.5
273.07388	0.4
280.17075	0.4
308.16544	0.7
311.15045	0.5
325.10751	1.7
326.17538	0.8
341.10287	1.4
353.10309	2.3
355.12027	0.5
357.11850	1.1
371.11414	0.8
401.12384	0.6
470.22034	1.5
473.20276	0.3
488.22714	0.5
493.39810	0.3
515.27411	0.7
516.18896	1.4
533.28662	49.1
534.28967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
53.03949	2.3
55.01869	1.2
55.03559	0.3
55.05505	2.0
57.07056	0.6
58.23707	0.3
62.96975	0.4
65.03926	0.7
67.05514	2.9
68.99796	0.7
69.03436	2.7
69.07081	2.8
69.21661	1.0
69.22073	2.0
71.04999	0.4
73.02895	0.3
77.03925	0.5
79.05080	0.5
79.05505	5.0
81.03432	2.9
81.07064	5.6
85.02914	3.4
87.00825	1.6
89.63068	0.3
91.05486	13.8
93.07053	26.2
95.04964	1.7
95.08614	2.9
97.02888	1.1
99.04478	0.8
103.05476	0.8
105.01881	0.6
105.03414	1.2
105.04513	1.0
105.07046	4.5
107.04960	1.1
107.08601	30.0
109.02899	1.9
109.06512	1.2
109.10168	5.3
111.11722	0.5
115.05457	9.3
117.07027	19.3
119.06030	0.9
119.08598	2.5
120.09380	0.7
121.06492	0.5
121.10148	4.8
123.11723	8.4
127.03941	2.1
128.06242	1.2
129.07025	4.5
131.04933	0.8
131.08562	1.1
132.05743	0.4
133.06502	1.6
133.10196	0.5
135.11703	33.6
137.05968	0.5
141.06999	1.1
142.07809	0.6
143.08562	1.1
144.05731	0.5
145.06496	100.0
146.07001	0.4
147.08075	5.1
153.06953	0.7
154.07777	0.5
155.06046	0.6
155.08562	1.4
157.06500	3.8
157.10138	1.3
159.02936	0.9
159.08101	3.8
161.09653	0.7
165.07042	0.8
167.08607	1.0
169.06480	3.0
169.10136	1.0
170.07335	0.8
171.08083	3.5
171.11714	0.7
173.09680	1.4
177.05609	0.4
179.08568	0.7
181.06546	0.5
181.10135	0.7
182.07347	1.1
183.08078	6.0
183.11667	0.4
185.09633	11.7
187.07600	0.5
187.11205	0.5
193.10187	0.8
196.08853	0.5
197.09634	2.2
199.11200	2.1
202.31859	0.4
207.11787	0.7
209.09596	0.5
211.11191	5.1
213.12744	0.5
219.11700	0.5
225.06061	0.3
225.12726	1.8
227.14290	1.4
229.34993	0.4
229.71295	0.4
231.04919	0.4
234.14000	0.7
249.16483	1.2
267.17496	7.2
269.18863	0.5
270.23572	0.3
285.18442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
54.18372	0.3
56.05040	0.4
58.06607	100.0
58.45886	0.3
59.05017	0.5
59.06945	0.4
65.03968	0.3
69.03451	0.5
70.06606	0.5
70.95268	0.5
71.30257	0.2
72.08175	0.8
73.73502	0.2
74.09742	0.5
79.05515	1.8
81.03429	1.4
81.07065	2.4
81.31904	0.2
81.71037	0.2
85.02931	0.8
91.05518	0.6
93.03438	0.5
93.07055	3.1
95.04976	0.4
97.02912	0.4
101.84044	0.3
105.07072	1.0
107.04945	0.6
107.08640	0.4
109.02915	1.0
115.05499	0.6
117.05761	0.3
117.07064	0.2
121.10161	2.9
121.10938	0.4
127.03970	0.6
131.08553	0.3
132.08148	1.0
133.06497	0.3
133.10147	0.5
146.06033	4.2
147.08081	0.4
149.02335	0.3
149.09637	8.7
151.03909	0.6
151.94489	0.2
160.07599	16.7
161.09628	0.3
167.10712	1.2
178.08658	0.4
188.07048	0.4
205.13394	4.1
280.17014	1.1
293.13843	0.9
308.16534	0.7
311.14957	0.7
341.10229	0.3
470.21884	0.7
488.22946	0.3
533.28674	65.4
534.28735	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78877	0.6
53.03940	1.3
55.01860	1.2
61.02932	0.8
63.34949	0.8
64.16003	0.7
67.05499	1.2
69.03429	1.6
70.06595	4.0
71.52529	0.7
72.08142	1.6
72.12215	0.6
78.04706	2.4
79.05500	6.9
81.03434	1.4
81.07064	2.2
83.04977	0.7
84.04492	0.7
84.08134	1.7
85.02917	5.3
85.06557	0.9
86.09702	2.0
91.05491	3.9
93.03452	0.8
93.07051	1.2
95.04974	2.6
97.02905	1.9
99.04459	1.1
103.05468	2.8
105.03403	0.8
105.07031	9.3
106.04174	2.4
107.04976	12.5
107.08619	0.9
109.02901	1.3
109.06512	1.6
111.08121	0.6
115.05499	3.3
116.06307	0.8
117.07044	1.7
118.04163	1.4
119.04921	1.4
119.08599	2.9
121.06548	1.6
122.03585	0.7
122.55457	0.7
123.04451	6.1
124.05235	3.7
125.06022	1.1
127.03918	0.9
128.06274	3.2
129.07024	7.5
130.04137	0.8
130.08679	0.7
130.46309	0.6
131.04961	4.1
131.08589	2.8
132.05695	2.6
133.06514	4.3
133.10155	9.5
134.03642	0.7
135.04434	2.0
135.08084	1.1
136.07591	0.8
137.05974	2.8
143.06001	0.8
144.05664	1.3
145.04958	1.0
145.06519	2.5
145.10179	0.8
147.04459	1.4
147.08087	2.1
147.11751	0.8
149.02322	1.0
149.05972	1.2
151.03983	3.2
151.04994	0.7
152.04660	1.8
153.05489	2.6
156.05679	1.1
157.06552	1.1
159.08057	5.9
160.05244	1.2
161.05997	8.8
161.09576	0.7
162.06750	0.8
163.07561	1.0
167.07057	100.0
171.08026	1.4
172.05176	2.4
173.13275	4.6
175.07565	21.0
176.04756	1.1
177.05463	2.4
177.09097	1.0
178.07735	1.2
179.07095	1.6
181.08482	0.8
184.05273	1.7
185.05942	1.1
187.07564	23.9
188.37061	0.7
189.07091	1.6
189.09135	2.1
190.07779	1.0
191.07054	8.5
191.08597	1.2
191.14409	3.5
193.10214	0.9
197.27187	0.7
199.07544	8.0
201.97571	0.7
202.07817	1.9
203.04427	0.7
203.08658	3.2
203.10246	0.7
205.06689	0.7
205.08543	1.0
206.07310	1.9
207.07985	1.2
209.08107	2.6
209.15384	1.2
215.08603	1.8
217.06456	0.9
217.08580	2.5
218.07191	3.5
219.08063	2.0
221.09674	4.3
231.08072	2.2
232.08803	0.9
233.06068	0.7
233.09656	2.3
234.06795	2.1
235.07567	2.3
243.08162	0.9
245.05959	1.0
246.06767	2.4
247.07607	1.8
248.08327	0.8
249.09149	5.6
250.09860	1.3
251.06993	1.5
257.60059	0.7
259.07489	1.4
260.08319	1.0
261.09207	4.0
263.07068	1.5
265.08582	1.2
266.09412	1.0
274.06259	1.1
275.07050	1.0
277.08640	2.3
278.09335	1.7
279.84094	0.7
281.11765	7.5
289.08572	3.7
290.09241	0.9
291.10123	1.6
293.08569	1.0
293.11740	2.8
294.08954	1.7
295.09943	1.4
297.93311	0.7
306.09091	1.0
307.09778	0.8
309.11227	9.5
310.11896	0.8
321.11209	8.2
322.11893	2.1
325.14383	1.3
326.11530	1.7
341.10229	1.4
341.13870	27.2
341.18045	1.3
353.09799	1.2
353.13913	10.3
371.11084	1.2
533.19318	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1659
Annotation	Styraxlignolide B
Peak:m/z	Relative Intensity
51.02396	0.4
52.53866	0.4
53.03949	0.5
55.01870	0.6
60.39852	0.3
67.05537	0.3
68.17075	0.3
69.03425	0.4
70.06591	0.4
70.56908	0.6
70.57282	0.5
77.03952	0.6
79.05495	2.2
81.03418	0.6
84.08150	0.8
85.02905	0.8
87.27312	0.3
91.05510	0.4
95.04971	0.9
97.02903	0.7
103.05466	0.3
105.03391	0.7
105.07054	0.4
109.02911	0.3
111.04457	1.1
115.05441	0.4
117.07085	0.5
121.02889	0.3
122.03677	0.4
125.06082	0.3
129.06961	0.4
131.04961	0.9
133.06509	0.6
135.04424	100.0
136.04793	0.4
137.05986	7.8
139.03935	0.4
143.04971	0.6
149.01202	0.4
149.02354	4.5
151.03935	1.4
151.07565	1.2
152.01089	0.6
153.05476	6.3
157.06534	0.9
159.04434	3.8
161.06009	0.8
165.05449	1.3
167.03416	20.4
167.07056	0.8
169.04987	0.4
173.06017	0.8
175.07591	0.6
177.05482	0.5
179.03529	0.5
187.07585	0.9
189.05516	0.3
189.09209	0.4
191.07083	1.1
193.04984	0.5
201.05467	0.8
203.06985	0.7
221.08099	2.4
258.53448	0.4
285.27390	0.3
316.72391	0.3
323.09091	0.4
341.10226	5.7
341.13934	1.0
353.10324	0.4
371.11273	75.6
372.11624	0.5
533.20599	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	533.1659
Annotation	Luteolin 7-[6''-(2-methylbutyryl)glucoside]
Peak:m/z	Relative Intensity
53.03954	0.1
57.07087	0.6
67.01873	0.3
67.05497	0.1
68.99489	0.1
68.99808	0.3
69.03419	0.2
69.07042	0.1
70.96834	0.2
70.97206	0.1
79.05473	0.1
81.03429	0.2
81.07061	0.1
85.02893	0.2
89.03915	0.2
95.04961	0.1
97.02908	0.2
97.06513	0.1
107.05000	0.1
107.15506	0.1
109.02876	0.3
111.00779	0.1
117.03387	0.2
117.75222	0.1
127.03922	0.1
129.01826	0.1
135.04437	1.8
137.02344	0.4
139.03886	0.1
147.04517	0.1
149.41768	0.1
151.03824	0.1
153.01839	4.6
161.02353	0.6
163.03859	0.1
171.02933	0.4
171.35098	0.1
179.03423	0.3
185.05940	0.1
201.05566	0.1
203.03362	0.1
219.06541	0.2
229.10756	0.2
241.05002	0.5
242.41367	0.1
245.04503	0.2
269.04404	0.4
280.84406	0.1
287.05511	100.0
288.05792	0.4
371.11053	0.1
533.16650	1.5
533.24664	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1662
Annotation	Styraxlignolide B
Peak:m/z	Relative Intensity
51.02367	0.3
52.53844	0.3
53.03952	0.4
53.84753	0.3
63.42761	0.2
68.99775	0.3
69.40797	1.2
69.41228	0.8
77.03945	0.5
79.05508	1.9
85.02920	0.6
95.04955	0.5
103.05512	0.4
105.03383	0.5
109.02906	0.4
111.04473	0.8
115.05431	0.5
115.14048	0.3
117.07005	0.3
129.07001	0.6
131.04951	0.8
133.06499	0.8
135.04433	100.0
136.04808	0.4
139.04012	0.4
145.06535	0.5
149.02350	4.4
151.03821	0.5
152.01086	0.7
153.05484	5.0
157.06514	0.7
159.04440	3.1
161.05977	0.8
167.03423	19.7
173.06018	0.6
179.03442	0.6
187.07585	0.7
191.07065	0.9
201.05539	0.8
203.07071	0.8
219.06540	0.6
221.08086	2.0
279.06360	0.5
312.39481	0.3
327.65097	0.2
328.58618	0.3
341.10266	5.3
353.10049	0.3
371.11301	75.0
372.11362	0.5
406.47211	0.3
407.80765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1661
Annotation	Styraxlignolide B
Peak:m/z	Relative Intensity
53.00298	1.1
53.03940	1.9
54.09342	0.5
55.01881	2.8
57.03429	1.1
61.02917	2.0
65.03950	3.0
67.05497	0.9
68.99784	1.7
69.03436	5.4
69.07063	0.7
69.53214	2.8
70.06600	0.9
70.97359	0.6
71.04977	0.9
72.08141	0.9
73.02914	0.9
77.33772	0.5
78.23331	0.5
78.33489	0.5
79.03100	0.6
79.05496	3.0
81.03421	8.0
81.07069	1.3
83.01321	0.6
83.04987	0.5
85.02908	12.2
86.09713	1.1
86.28185	0.5
87.04441	0.7
90.66122	0.5
91.05484	1.6
93.03378	1.0
93.07069	1.1
95.01335	1.3
95.04944	0.9
95.08589	0.9
97.02917	4.4
99.04478	1.3
103.05473	1.0
105.03412	0.8
105.07027	1.1
107.04887	1.1
107.08578	0.9
109.02880	2.1
111.04459	1.2
115.05427	3.0
117.07029	2.3
119.04951	2.6
119.08585	1.0
120.08118	0.7
121.02905	1.0
121.10173	1.3
123.04446	2.1
127.03925	2.6
128.06229	2.5
129.07022	11.0
131.04951	3.1
131.08505	1.1
133.02892	0.7
133.06508	1.0
135.04425	84.1
137.05980	0.9
139.03920	1.5
143.04913	4.5
145.04971	1.9
145.06490	2.5
145.26897	0.6
147.04414	7.4
149.02356	100.0
151.03902	6.2
157.06511	11.8
159.04442	2.7
161.05992	1.4
163.03932	4.0
165.05489	1.4
171.04381	2.7
173.06009	5.4
175.03929	1.1
175.07564	1.0
177.05524	3.0
177.06914	0.6
181.04944	0.7
183.04381	0.6
185.05984	3.1
187.07571	11.7
189.05510	6.6
189.06989	1.5
191.08586	2.2
201.05479	23.4
203.07036	4.7
203.08626	0.8
205.06583	1.1
207.06398	0.7
213.05435	1.9
219.06245	4.1
219.08485	3.0
231.06508	12.7
231.08559	1.0
235.07579	1.7
247.07620	4.4
249.07292	1.0
249.09499	0.9
259.07550	4.9
262.06241	1.1
263.07092	1.8
265.08633	2.0
267.21066	0.6
275.07022	2.1
277.08572	5.6
280.07294	1.6
281.04443	2.5
282.05215	4.8
287.07050	2.0
290.06134	0.6
293.08191	4.1
295.09518	0.7
305.08118	8.0
307.09668	4.5
317.08127	5.5
320.06430	0.9
323.09134	15.6
335.09152	17.1
337.10663	0.7
341.10245	6.0
353.10223	37.1
355.11798	1.8
371.11267	20.2
515.34772	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.3
53.03944	2.4
55.05518	13.8
57.03437	3.2
57.07082	3.8
61.02930	4.7
65.03936	2.2
67.05509	61.4
69.03428	2.0
69.07081	13.4
70.09037	5.5
71.05009	1.5
71.08611	1.9
73.02940	1.5
79.05499	42.8
81.07063	69.3
83.04972	1.8
83.08621	8.4
85.02917	5.8
85.06553	1.9
91.03986	1.8
91.05488	21.2
93.07050	58.5
95.04997	3.4
95.08614	56.5
97.02877	1.8
97.06523	3.7
97.10152	3.1
99.08080	2.7
104.77320	1.1
105.07046	17.8
107.08604	39.5
109.06528	2.2
109.10164	30.5
111.08098	2.9
113.09712	2.3
117.07039	8.9
119.08594	15.6
121.09327	2.2
121.10156	31.3
123.08096	1.4
123.11723	14.0
125.09641	2.0
131.08580	20.3
133.10153	14.6
135.11703	25.9
137.09630	2.3
137.13248	6.0
139.11182	2.2
140.08138	1.1
145.10152	13.6
147.11705	12.7
149.09648	1.6
149.13258	22.3
151.11195	3.2
151.14825	1.9
153.12755	2.4
159.11700	15.1
161.13242	11.4
163.14830	13.2
165.12726	2.3
173.13292	15.0
175.14865	4.0
177.16432	7.0
177.79070	1.2
179.14360	2.8
187.14847	8.2
189.16438	1.9
190.47148	1.1
191.14265	2.3
201.16396	2.8
205.15872	2.2
215.18054	1.7
219.17397	1.7
233.22649	2.5
243.21094	37.1
244.65862	1.4
261.22165	100.0
279.23282	4.1
285.64877	1.3
293.86282	1.1
335.25821	16.5
353.26889	35.5
474.10730	1.4
498.51752	1.3
532.23694	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	532.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
53.97222	0.5
55.01868	1.0
55.05518	7.2
56.05024	0.5
57.03429	1.1
57.05804	0.6
57.07067	0.5
65.03919	0.7
67.05508	35.4
69.03433	3.3
69.07079	6.0
69.53333	3.3
70.06566	1.8
71.07349	1.0
72.08160	28.7
73.02876	0.6
79.05499	24.4
81.03430	4.7
81.07061	41.9
83.04992	1.3
83.08640	3.2
83.50298	0.5
83.60042	0.6
85.02902	3.2
85.06520	0.6
87.00814	1.0
91.05489	9.3
93.07049	28.5
95.04984	3.2
95.08617	9.7
97.02876	1.5
97.06520	1.7
97.10168	0.7
98.06034	1.2
99.04414	0.8
99.08077	0.8
105.01853	0.7
105.03375	2.2
105.04496	0.7
105.07031	4.5
107.04937	1.9
107.08599	24.0
109.02845	1.6
109.06501	2.3
109.10165	11.5
111.08064	0.7
116.07076	1.9
117.07047	3.9
118.08709	1.2
119.08603	3.4
121.06470	1.2
121.10149	7.7
123.08036	1.7
125.31035	0.6
126.09036	0.6
127.03915	2.3
131.08569	3.5
133.10114	4.0
135.04411	2.0
135.08041	1.5
135.11690	6.3
139.09935	1.7
139.11130	0.7
147.04413	0.7
149.09654	2.5
149.12056	0.7
149.13268	15.3
153.12804	1.3
158.11737	1.6
159.02899	0.8
159.04320	0.5
159.11702	3.7
167.10692	1.0
177.12766	4.1
204.12294	4.2
208.17795	0.6
248.20111	82.3
266.21167	76.5
284.12912	1.6
284.22214	100.0
285.22488	0.7
299.43408	0.6
311.14862	0.8
345.03864	0.7
371.11322	2.0
393.80698	0.8
409.88516	0.5
514.26575	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53123	0.7
75.70068	0.5
83.03172	0.5
91.02845	0.5
144.37494	0.6
163.09937	0.6
175.10944	1.7
187.03720	0.8
194.84499	0.5
299.16193	63.0
363.08340	5.0
377.09943	1.6
378.10754	22.6
379.11563	10.7
379.16211	0.9
419.13458	1.0
447.17902	1.2
531.23572	100.0
532.23834	0.8
533.39117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10618	1.9
71.44412	2.8
71.44733	1.6
75.08418	1.5
86.09672	3.7
104.10747	5.4
135.04433	2.2
175.11053	3.9
184.88943	1.8
199.73643	2.0
274.75119	2.0
299.16217	63.5
346.64352	1.9
363.08521	6.0
378.10791	40.8
379.11670	15.5
419.13358	3.6
531.23615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27129	0.6
59.43264	0.5
71.52658	1.0
83.39040	0.6
160.85785	0.6
175.11014	3.4
224.60692	0.7
264.09525	0.7
299.16214	51.2
330.35953	0.6
342.21835	0.7
363.08408	3.5
377.09891	1.7
378.10770	17.3
379.11542	19.1
419.13351	1.0
420.14590	0.9
428.19565	0.7
531.23596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
53.03952	3.4
55.01846	1.7
55.05273	0.7
55.05516	8.5
56.15263	0.4
57.03419	1.6
58.06613	0.6
59.04991	2.1
61.02903	0.6
65.03947	1.1
67.05511	39.9
68.99795	0.6
69.03438	5.6
69.06744	0.4
69.07077	6.6
69.27695	4.4
70.06605	5.0
71.07377	1.0
71.08623	0.7
72.08161	37.7
77.03928	0.5
79.05501	24.2
81.03420	5.6
81.07065	49.7
81.73071	0.5
83.04967	1.6
83.08631	3.7
85.02913	5.3
86.09718	0.7
87.00810	1.7
91.05485	9.2
93.07054	33.5
95.04961	3.3
95.08619	12.7
97.02917	3.0
97.06529	1.9
98.06059	0.7
98.21674	0.9
99.04445	1.9
99.08080	1.0
105.01874	1.2
105.03409	12.6
105.04515	0.9
105.07035	5.3
107.04961	2.8
107.08604	27.8
109.02889	2.5
109.06523	3.2
109.10166	13.1
111.04441	1.0
111.08096	1.1
116.07110	3.6
117.07020	4.8
117.91535	0.5
118.08678	4.0
119.04916	1.1
119.05981	0.5
119.08602	3.6
121.06496	1.4
121.10163	11.9
123.08057	2.1
127.03937	4.3
131.08594	3.6
133.10117	4.3
135.04431	6.3
135.08058	1.3
135.11708	6.8
137.05963	1.2
137.09662	0.5
139.09897	2.1
139.10971	0.5
145.04973	1.2
147.04399	2.3
147.11714	1.1
149.02357	0.7
149.08565	0.8
149.09645	9.2
149.13275	16.2
151.03896	1.2
151.11220	0.7
153.12741	1.4
158.11786	4.0
159.11737	4.0
161.37019	0.5
167.03389	0.8
167.06979	0.8
167.10718	2.5
177.05623	0.6
177.12766	4.2
186.11305	1.1
204.12337	10.6
207.06601	0.9
231.05031	0.5
231.13937	0.5
239.20168	0.5
248.20119	89.3
249.14954	0.6
249.20442	1.0
266.21176	78.5
267.21524	0.7
283.29276	0.6
284.12921	11.3
284.22223	100.0
293.13834	1.1
311.14990	2.3
326.88129	0.5
329.16003	1.3
371.11301	4.5
514.26630	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	531.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01900	0.4
70.06595	0.6
70.45106	1.0
71.42894	0.4
72.83179	0.4
74.02426	0.9
88.54751	0.4
91.05480	0.6
98.27570	0.5
115.05467	1.2
117.05759	0.7
117.07043	0.8
118.06551	17.4
130.06534	1.4
132.08125	5.4
142.06544	1.6
143.07286	2.7
144.08109	10.6
146.06023	57.6
147.06308	1.0
159.09189	5.8
160.07608	0.8
163.03935	1.8
170.06032	3.6
177.05513	0.5
188.07083	100.0
189.07425	1.4
205.09741	46.5
206.10010	0.6
210.05222	0.4
248.71350	0.5
257.57745	0.5
279.77802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78244	0.2
58.06607	1.4
58.55696	0.2
59.06936	0.2
69.03415	0.2
70.06595	0.2
71.52634	0.3
83.54594	0.2
85.02890	0.3
86.09691	0.3
90.16399	0.2
97.02914	0.2
98.97592	0.5
105.07023	0.7
111.54680	0.2
115.05460	2.4
117.05798	1.2
118.06583	0.2
124.47928	0.2
132.08104	3.7
133.06471	0.7
142.06512	0.6
143.07314	0.4
158.99773	0.2
159.06793	0.4
160.07584	100.0
161.07922	0.6
163.03888	0.7
177.10245	15.0
219.01952	0.3
369.85974	0.2
454.77444	0.2
531.24371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1866
Annotation	Icariside I
Peak:m/z	Relative Intensity
57.03442	4.8
61.02929	7.7
69.03432	11.3
71.48154	2.9
71.93507	2.4
72.77671	3.1
73.02917	3.9
78.55315	2.4
79.03123	2.3
79.05497	4.1
81.03414	12.3
81.07059	6.3
81.48189	2.8
85.02911	32.7
87.04403	3.3
91.05499	3.2
93.07041	3.7
95.08585	3.2
97.02903	15.7
98.20736	6.7
99.04443	3.1
107.04906	4.8
108.42356	2.4
109.02871	3.8
118.56900	2.5
119.04968	6.8
121.02857	32.3
127.03902	4.1
131.04958	4.6
133.02881	2.9
135.04414	23.1
145.04901	4.8
145.06519	3.4
149.02379	31.1
151.03920	92.3
151.07556	27.1
157.06483	2.8
158.07312	4.2
159.04480	3.0
159.08061	3.4
161.05902	2.9
163.03873	4.2
165.01808	5.2
165.05486	6.0
172.08919	2.9
173.05995	10.0
175.03952	19.4
175.07599	3.6
177.01822	5.8
179.03429	4.6
182.96359	2.7
185.05916	5.0
188.08409	3.1
189.01852	4.6
189.05455	7.9
189.09079	7.9
195.02850	5.4
201.05502	13.9
201.09131	45.7
202.09862	11.0
203.03423	10.6
203.07076	7.4
203.10780	4.2
205.04933	3.2
207.02905	3.2
207.06483	2.6
215.03310	2.8
215.07085	4.6
215.10730	8.3
217.05070	4.3
217.08711	3.6
221.04333	3.3
231.06523	11.1
231.10217	8.3
233.04460	5.3
235.07635	4.1
243.06523	3.7
249.09088	3.4
254.05792	2.6
255.02910	2.8
262.09927	2.8
263.07001	4.4
267.06564	4.4
269.08514	3.0
277.08646	7.3
278.09457	4.5
279.06595	5.7
281.08170	3.7
283.06061	13.8
284.06723	4.6
290.09338	2.7
291.06610	3.3
292.07364	6.3
293.08002	6.0
293.11685	4.3
295.06033	100.0
295.09381	4.9
296.06763	8.7
297.07593	12.5
299.09204	2.9
305.08136	4.4
307.06091	35.3
307.09512	6.1
308.06677	5.8
309.07553	18.1
309.10886	4.0
313.07150	9.1
319.06061	5.8
319.09686	6.9
320.06741	11.7
320.10455	6.9
321.07605	45.1
321.11206	7.5
322.08594	3.3
323.09171	9.8
324.10028	5.9
325.07104	74.4
333.07687	3.6
335.05777	3.5
335.09180	16.8
335.12753	4.1
336.09875	3.5
337.07047	9.5
337.10690	50.0
339.08612	9.2
339.12305	10.3
349.07013	20.4
349.10751	13.8
351.08615	69.8
351.12424	27.5
353.13879	8.2
361.07034	7.8
361.10931	4.6
363.08508	6.6
363.12311	72.5
367.11798	37.0
369.09674	5.6
369.13507	41.8
375.12378	4.6
377.13446	5.1
381.13406	11.9
391.07870	6.7
391.12140	26.5
393.13318	39.0
397.12665	2.9
397.62469	3.2
403.11438	14.5
405.08902	3.5
409.09042	8.5
411.14380	50.8
415.11893	5.9
417.09521	5.7
421.13016	5.5
423.14313	4.4
433.12845	10.4
435.14896	33.3
441.12628	3.4
447.14432	25.3
451.14017	14.6
459.14609	14.5
465.15390	11.1
469.15027	32.8
477.15530	26.0
487.16089	13.9
495.09753	3.9
495.16599	44.7
513.17657	62.9
531.19202	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1505
Annotation	matsudone A
Peak:m/z	Relative Intensity
50.01600	0.3
52.56302	0.3
53.00299	0.8
53.03948	1.2
54.45056	0.3
55.01877	2.6
57.03456	2.7
58.60707	0.3
61.02937	5.4
65.03941	3.3
67.05492	1.2
68.99805	1.8
69.03440	16.3
69.31278	0.3
70.73393	0.7
70.73743	0.5
71.01354	0.6
71.04997	1.5
73.02934	3.0
79.05494	0.6
81.03429	13.2
83.01341	0.8
85.02917	24.6
87.04481	3.3
91.03959	2.1
91.05495	0.7
93.03404	2.2
93.07055	0.4
95.01337	0.4
97.02902	10.5
99.04449	1.7
103.03960	0.5
103.05495	0.4
105.07017	0.4
109.02895	3.7
109.36106	0.5
115.05457	4.0
117.07002	3.5
119.04954	0.9
121.02886	3.1
123.04448	1.7
127.03930	6.0
131.04945	1.4
133.02875	1.2
135.04440	12.5
137.02344	0.9
139.03973	0.8
143.04930	4.2
145.04987	4.0
145.06503	1.3
147.04422	1.3
149.02364	64.8
151.03920	100.0
152.04279	0.4
157.06552	0.6
159.04468	1.3
161.06015	0.8
163.03905	1.4
165.01860	5.2
165.03134	0.6
171.04482	0.5
173.06013	9.2
175.03928	27.2
175.07520	0.8
185.06003	1.0
189.05530	2.3
191.03384	1.0
201.05498	20.3
202.06274	1.6
203.03378	0.7
203.07057	18.9
205.06526	0.6
210.06613	0.4
213.05521	1.1
215.07166	0.9
217.05042	1.3
219.06433	0.4
223.07576	0.8
229.05025	0.6
231.06532	6.8
235.07571	0.8
243.06639	0.5
251.07083	0.6
253.08633	0.4
263.07141	1.8
265.08777	0.6
275.07315	0.5
281.08093	0.6
291.06607	1.4
293.08032	0.9
296.06818	0.6
297.07559	0.5
309.07501	0.7
311.09320	0.7
321.07571	2.9
323.09109	2.0
328.90842	0.3
337.07214	0.4
339.08673	22.0
345.09952	0.4
351.08688	20.2
367.08246	0.8
369.09741	21.1
381.09534	0.6
501.13895	0.9
510.45383	0.4
531.15033	38.6
532.15491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
55.05518	3.4
57.03441	3.6
57.06829	0.7
57.07086	9.1
60.50222	0.5
61.58960	0.6
65.03928	0.7
67.05521	3.0
69.03439	3.4
69.07075	4.4
69.31513	4.6
71.01376	0.8
71.04995	1.6
73.02928	1.6
79.05509	5.0
80.34440	0.5
81.03355	1.0
81.07066	6.1
83.04997	1.9
83.08613	1.9
85.02919	3.8
85.06555	9.6
87.04472	6.0
87.08109	1.3
91.05489	20.0
93.07033	2.7
95.04989	0.5
95.08619	1.7
97.02882	0.9
97.06548	1.2
99.04446	0.8
99.08093	1.6
103.03960	0.8
103.07626	0.7
104.06266	1.7
105.07042	5.1
107.08611	2.0
109.06532	2.9
111.08091	7.4
115.03905	0.9
117.06968	0.6
120.14735	0.5
123.08066	1.8
125.09631	2.1
127.07578	6.8
129.05522	0.7
129.09167	1.2
133.10146	100.0
135.08090	0.6
137.09695	0.7
141.09070	0.8
143.08705	0.6
147.08066	3.5
149.09634	25.8
153.09128	6.0
169.08656	2.0
171.10182	19.5
171.11652	1.2
189.11241	20.9
333.16626	0.7
337.20221	4.5
351.18411	0.7
422.52466	0.6
485.29099	5.5
530.39862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.2
55.05515	9.1
57.03429	1.0
57.07068	3.3
59.05011	1.1
65.03946	1.2
67.05187	1.5
67.05511	18.0
69.03439	36.1
69.07071	7.1
69.27906	4.1
69.28333	4.4
70.06577	1.6
71.04984	1.7
73.06552	1.9
74.09730	1.3
79.05508	7.2
81.03410	2.7
81.07066	17.9
83.04987	3.1
83.08619	3.9
85.06525	1.6
87.04485	8.8
91.05496	7.0
93.07053	19.0
95.04371	1.7
95.04978	30.3
95.08617	24.1
97.06541	4.7
97.10172	2.9
99.08088	4.1
105.07040	17.8
107.04943	3.7
107.08607	17.9
109.06514	4.3
109.10175	17.0
111.08086	3.1
117.06995	3.3
119.08599	18.4
121.06521	2.4
121.09324	1.6
121.10153	20.1
123.08073	6.5
123.11710	11.0
125.09612	3.4
129.07034	3.0
131.08580	8.6
133.10146	15.0
133.67480	1.1
135.08104	5.6
135.11722	7.2
137.09647	4.8
137.13272	1.4
139.11188	1.9
141.09126	2.3
142.07813	1.1
143.08591	5.8
144.09383	1.2
145.10144	14.5
147.08028	1.5
147.11713	8.4
149.09624	2.8
149.13222	4.7
151.11198	2.4
155.08580	1.9
157.10158	9.9
158.10738	1.0
159.11705	13.4
161.09612	2.6
161.13263	20.4
163.11209	2.9
163.14847	1.9
165.12761	4.3
167.10686	2.2
168.09302	1.0
169.10143	4.9
171.11711	9.0
173.09659	1.0
173.13277	10.1
175.11214	3.1
175.14856	5.3
177.12749	3.2
179.10727	1.4
181.10089	2.4
183.11758	5.7
185.13292	9.0
187.11221	1.8
187.14897	11.1
189.12724	2.9
189.16434	5.3
191.14326	2.3
195.11713	3.0
197.13264	4.9
199.14867	7.5
201.12793	2.6
201.16364	5.8
203.14317	4.6
203.18005	1.6
209.13290	3.6
211.14830	7.6
213.12880	1.2
213.16431	5.5
215.17918	2.7
217.15953	2.0
219.11841	1.0
221.13306	1.7
223.14824	2.4
225.16391	6.1
227.18021	9.1
229.16003	2.7
229.19516	1.5
231.17429	4.8
235.14893	1.7
237.16331	1.5
239.17943	4.5
241.15945	1.9
241.19556	1.9
243.17459	1.8
245.19038	14.9
249.16350	1.6
251.18066	2.0
253.19435	1.1
255.17529	2.3
255.20879	1.5
257.19101	5.4
259.20627	8.9
263.17957	2.3
265.19498	4.4
267.21274	1.1
269.19104	1.2
271.20694	1.7
277.19431	2.2
281.19083	1.9
283.20547	5.5
285.22147	1.7
295.20721	3.0
295.24219	10.1
297.22153	4.4
309.22192	2.9
311.23721	13.1
313.25287	51.6
321.22092	2.0
321.25742	1.2
323.23602	1.3
335.23666	1.3
337.25366	7.5
339.26733	5.7
345.25766	1.4
349.25140	1.5
351.26797	3.4
353.28464	1.2
363.26846	16.6
381.27911	100.0
383.29398	3.5
407.33258	1.5
417.31439	2.6
425.34201	3.9
435.32761	8.9
453.33728	18.6
530.38257	2.3
530.50336	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
54.28461	1.7
55.05510	5.3
57.03437	4.6
57.07074	11.1
58.06586	2.2
62.40835	1.5
64.74223	1.6
67.05499	5.9
69.03419	5.3
69.07061	5.1
69.17221	14.5
69.17632	3.4
71.04992	2.9
79.05486	7.4
81.03420	2.1
81.07059	9.8
83.04984	1.8
83.08620	2.7
85.02904	3.7
85.06554	10.7
87.04477	35.0
91.05488	19.3
93.07050	6.4
95.04953	3.1
95.08582	1.6
97.02872	2.5
97.06525	1.7
102.29256	1.9
105.07037	13.4
107.08586	3.2
109.06530	2.3
109.10183	2.3
109.71962	1.6
111.04433	2.0
111.08076	8.2
119.08586	2.1
121.06512	1.7
125.09634	2.2
127.07536	7.9
133.10138	100.0
147.08060	8.2
149.09608	16.9
153.09140	8.8
171.10193	18.8
175.72627	1.8
189.11223	26.5
189.50365	1.6
257.54559	1.6
313.27475	2.1
337.20276	4.6
416.11484	1.7
420.47589	2.1
485.29028	5.5
530.38397	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	530.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.9
65.03934	0.9
66.04726	0.6
69.07085	4.7
69.07397	1.0
79.05492	1.3
81.07056	1.0
83.05003	1.3
87.86695	0.8
90.12498	0.6
90.21011	0.7
91.05496	2.6
93.03432	1.3
94.04201	1.6
95.04980	0.6
103.05470	5.4
105.91679	0.8
107.04985	0.9
109.06517	1.5
111.04451	2.1
115.05518	1.2
115.33637	0.6
117.07011	1.6
119.08584	1.2
119.50181	0.7
122.03653	4.3
125.05994	1.7
128.06242	3.4
129.07021	16.7
129.07936	1.4
131.04948	17.0
131.08568	0.8
133.02708	0.7
134.02116	0.7
137.05994	100.0
143.04932	2.7
144.05745	1.5
145.06509	2.5
146.03618	1.7
147.04485	0.8
147.08141	1.1
151.03889	1.2
151.07562	1.3
153.05481	8.1
155.06094	0.6
155.42587	0.6
157.06503	23.9
157.26828	0.6
160.05186	5.3
161.06027	3.3
163.07550	9.7
172.05115	3.4
173.06084	1.1
174.06792	7.3
175.07574	32.3
177.09126	1.2
179.07031	0.9
185.05984	1.6
187.07562	37.6
189.09123	40.6
191.08598	1.5
199.07632	0.8
203.08604	2.6
205.08612	4.2
206.61456	0.7
207.10139	5.5
211.07585	1.5
217.08614	11.0
219.08154	3.2
227.07106	1.0
229.38014	0.7
231.08083	4.5
235.09634	3.2
239.07071	1.3
247.07635	2.7
248.08350	3.3
251.10863	1.9
255.06615	1.3
255.13893	1.1
259.07565	2.7
261.09387	0.8
263.10785	4.6
264.07941	1.2
265.08630	1.5
269.08142	0.7
270.08896	4.0
271.09686	3.8
276.07831	2.7
279.10236	4.5
283.09714	2.6
291.10153	10.6
292.10992	0.8
293.08197	0.8
296.10428	1.8
297.11414	0.7
308.10400	0.9
309.11377	1.0
311.12845	17.2
323.12811	16.2
329.13785	1.5
341.13876	27.7
409.20142	2.0
512.38690	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84925	1.1
53.03953	2.6
55.05519	7.0
57.03446	3.1
57.07082	5.6
58.06613	13.9
59.05009	2.6
61.02945	2.5
67.05524	3.0
69.03453	8.1
69.07079	56.1
69.26783	12.3
70.06609	14.0
70.67311	1.1
71.05009	2.7
72.08161	3.6
79.05502	5.0
81.03432	5.2
81.07073	15.5
83.04994	2.1
83.08634	15.1
84.08157	15.3
85.02919	23.5
86.09711	7.5
87.04485	2.2
87.10010	1.3
91.05492	4.6
91.83639	1.6
93.07055	17.4
95.04994	1.9
95.08618	12.2
97.02907	11.8
97.06526	6.2
99.04463	2.1
105.05551	1.6
105.07014	2.1
107.08608	15.4
109.02896	4.7
109.10191	6.2
111.08125	3.6
111.11739	23.5
113.09675	1.7
115.07584	1.5
116.07110	3.0
117.03401	2.2
125.13297	3.6
127.03977	6.6
128.07120	3.0
130.08662	33.0
133.06577	1.6
133.10193	1.5
135.08214	1.5
135.11720	18.7
137.05981	11.3
138.06332	3.2
143.14423	2.3
145.02902	5.2
145.04999	8.1
146.03270	2.1
146.06078	1.7
147.04466	1.8
148.07594	2.7
153.12773	57.3
160.07620	7.3
161.06073	1.9
161.07959	4.6
163.03922	1.9
163.05949	2.1
163.80600	1.2
165.09190	1.7
171.13821	100.0
175.11961	4.8
175.25996	1.3
176.12312	1.4
177.05478	9.3
178.05872	4.4
181.05005	1.8
187.26698	1.3
189.14890	43.0
201.05559	4.2
201.09798	2.8
202.05927	3.8
202.10185	2.0
235.07323	2.7
246.06532	1.3
262.06381	1.4
262.18246	1.6
263.06754	2.9
264.19562	1.8
277.08624	2.3
278.09061	3.9
290.05768	3.1
291.06174	4.0
294.08542	1.7
305.08218	4.3
306.08435	8.1
327.63416	1.4
333.19373	2.1
337.10727	2.3
338.11191	5.1
350.12561	2.7
362.12225	1.9
380.13461	2.2
384.11771	1.7
464.15082	1.7
486.30048	2.1
512.17719	4.3
530.23163	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	3.1
55.01843	1.5
55.05468	6.1
56.96294	0.6
57.03385	0.8
58.06552	2.7
65.03904	1.7
67.05514	10.6
69.03436	4.7
69.07013	1.8
70.06540	2.0
70.83346	1.5
71.04955	1.2
71.07320	2.8
72.08160	28.4
79.05500	42.4
79.05950	1.7
81.03429	8.3
81.07064	38.3
83.04940	1.8
84.08112	0.9
85.02915	5.0
85.06508	1.3
86.09680	0.7
87.00782	1.9
91.05492	24.2
91.06023	1.0
93.07054	19.0
95.04987	6.8
95.08613	12.5
96.04452	0.7
97.02922	3.4
97.06508	1.4
98.05995	2.0
99.04394	2.0
101.25751	0.7
103.05415	0.7
105.07042	25.8
107.04962	4.0
107.08605	37.5
109.02892	5.6
109.06530	4.5
109.10159	4.5
110.14789	0.6
110.73575	0.6
113.05979	0.9
113.41697	0.6
117.06969	1.8
118.08608	0.6
119.04900	1.0
119.05998	1.2
119.08599	12.2
121.06487	1.1
121.10140	3.2
123.08036	0.8
124.07555	1.0
126.09142	1.3
127.03915	4.9
129.06953	2.8
130.04974	0.7
131.08575	7.1
133.06493	7.6
133.10144	11.5
135.07979	0.6
137.05911	1.4
137.09628	6.9
139.07553	4.8
139.09018	0.6
139.09943	8.3
142.07794	0.9
143.02689	1.9
145.04909	0.8
145.10097	2.0
147.04341	0.7
147.08095	3.1
147.11711	22.7
149.09636	1.1
149.13255	4.2
150.09149	0.7
152.10645	1.7
155.10727	3.5
157.10069	2.3
165.09142	8.9
165.12744	2.6
175.11230	6.3
183.10207	3.7
201.11241	13.2
220.16972	1.3
246.18561	46.1
263.10324	0.8
264.19604	100.0
282.20667	90.1
309.13303	3.0
323.15869	0.7
323.77576	0.7
327.14328	3.3
468.26492	0.7
486.29984	2.0
512.24756	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	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	12.7
57.07081	4.4
62.61767	2.5
66.95448	2.4
67.05514	27.6
69.07064	12.0
70.01377	9.9
70.06612	3.7
79.05492	20.5
81.03428	6.7
81.07063	29.0
83.08626	5.2
91.05495	13.7
93.02905	2.4
93.07054	20.2
95.04990	5.1
95.08620	17.6
96.56786	2.1
97.06571	3.2
97.10231	2.7
101.27653	2.6
102.35812	2.5
103.45273	2.3
104.70189	2.6
105.07034	20.3
107.08591	12.8
109.10175	8.1
117.07036	6.9
119.07897	2.3
119.08630	14.3
119.09372	2.7
121.10184	6.9
129.07028	5.6
131.08597	13.9
133.10149	7.4
135.11719	3.4
143.08609	8.3
144.92018	2.6
145.10152	12.3
147.11720	5.9
149.13312	3.6
155.08609	4.5
157.10220	7.8
159.11720	6.6
169.10100	3.2
171.11732	4.5
173.13316	2.9
183.11810	3.2
187.14893	4.8
191.10364	2.6
193.12321	3.0
234.64070	3.3
243.01587	2.2
243.21323	2.7
375.23444	3.9
419.33459	3.8
437.34402	9.8
455.35519	3.5
457.84946	2.5
528.49805	2.9
529.39032	100.0
529.50299	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	529.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07957	0.5
57.62501	0.5
58.06592	2.0
69.03449	0.5
70.06595	0.9
77.31483	0.5
84.08133	0.6
84.96012	0.5
85.02917	0.6
86.06026	0.5
91.05500	0.7
115.05441	0.9
117.05753	0.8
117.07016	1.4
118.05714	0.9
118.06554	17.3
119.65166	0.5
130.06526	2.4
132.08101	5.2
137.02365	0.9
141.05513	1.2
142.06549	2.0
143.07312	2.2
144.04427	0.8
144.08104	13.5
146.06026	62.2
147.04463	0.7
156.08014	0.5
158.06001	1.1
159.09180	5.3
160.07578	1.8
162.05476	0.8
163.03896	2.7
170.06006	4.5
182.05908	0.6
184.07642	0.5
188.07085	100.0
189.07465	1.3
205.09743	49.4
246.09167	1.2
264.10223	1.5
274.08725	2.1
278.08182	1.0
292.09732	6.9
296.58569	0.6
302.08145	1.4
320.09171	6.3
336.53918	0.5
337.11816	1.3
338.10291	1.5
338.81549	0.5
512.15710	1.5
529.18469	2.0
540.88623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.01883	1.3
55.05518	10.4
57.03432	3.4
57.07074	3.0
58.31712	1.0
62.98039	0.9
65.03949	1.4
67.05513	32.3
69.07078	11.2
70.46357	3.6
71.05013	1.5
79.05507	24.5
81.07068	32.3
83.04995	2.6
83.08617	5.6
91.05497	18.2
93.07056	28.9
95.04993	4.1
95.08620	19.8
97.06538	2.7
97.10155	1.4
105.07043	15.1
107.00395	0.9
107.08614	14.9
108.17670	0.9
109.06527	1.9
109.10180	6.8
111.08094	1.5
115.05477	1.4
117.07014	8.2
119.08585	14.8
120.81135	1.0
121.06534	1.2
121.10152	12.0
123.11723	2.2
124.11842	1.0
129.07033	4.3
131.08606	13.8
133.10150	8.8
135.08075	1.1
135.11725	8.6
143.08557	5.0
145.10132	9.5
147.11693	5.1
149.13298	8.9
155.08643	2.0
157.10126	4.6
159.11685	7.7
161.13313	2.9
169.10181	3.6
171.11719	4.2
173.13295	4.3
175.14835	1.3
177.12796	1.9
181.10205	1.3
183.11691	1.6
185.13286	2.6
186.02596	1.1
187.14859	2.7
195.11754	1.7
195.13889	3.6
197.13300	1.6
199.14902	2.7
201.16429	2.1
209.13293	1.3
211.14893	1.6
223.14818	1.2
225.16362	1.0
227.18106	1.2
237.16476	2.0
256.26474	1.1
261.22260	2.0
419.33072	2.3
437.34256	8.5
455.35333	3.4
473.36441	1.6
511.37762	5.4
529.38916	100.0
530.39288	2.4
555.67157	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2203
Annotation	Bistratamide G
Peak:m/z	Relative Intensity
55.01847	0.6
55.05490	0.8
67.05510	3.9
67.99783	0.5
69.07043	1.1
79.05519	2.7
81.03402	0.7
81.07063	3.6
83.08608	1.0
91.05441	2.1
93.07040	3.5
95.08565	2.2
95.09106	0.5
97.10027	0.6
105.06985	1.3
106.42840	0.5
107.08531	1.1
109.10117	0.6
117.07008	0.8
119.08568	1.2
121.10185	0.6
131.08580	0.6
132.08823	0.9
133.10150	0.7
136.06195	4.6
137.06590	0.9
143.08565	0.6
145.10121	0.6
149.13254	0.7
159.11659	0.8
173.09389	10.3
270.87289	0.6
297.14639	81.2
363.08401	3.6
377.09970	2.1
378.10751	17.4
379.11551	16.6
419.13437	2.4
420.14203	1.3
528.37476	1.1
529.22058	100.0
529.38818	7.1
530.22632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.22
Annotation	Bistratamide G
Peak:m/z	Relative Intensity
62.60749	0.5
66.69334	0.4
69.68736	0.9
69.69152	1.6
72.89511	0.4
79.05442	0.7
81.06980	0.7
97.10004	0.5
97.10617	0.4
98.20852	1.0
109.99565	0.4
127.47697	0.5
135.04425	0.8
157.10239	0.5
173.09386	7.8
174.10123	0.7
189.76016	0.5
213.08885	0.7
214.12000	0.5
240.28166	0.5
297.14633	90.1
298.14932	0.6
319.99106	0.5
363.08362	3.2
377.09952	1.3
378.10773	11.3
378.15570	0.6
379.11551	4.6
399.00183	0.5
419.13361	0.6
448.67227	0.5
460.15231	0.5
529.22015	100.0
530.22284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62926	0.5
52.78093	0.5
53.03952	0.6
55.01868	0.7
58.06354	0.8
58.06606	9.5
69.03428	1.5
70.06581	1.4
70.23499	0.5
71.38617	1.0
72.08155	1.2
78.00089	0.5
79.05489	0.7
81.03423	4.7
81.07064	1.4
82.50081	0.6
84.08129	1.1
85.02898	2.8
86.09697	0.6
89.03913	5.5
91.05464	1.4
93.07026	0.6
95.04974	2.5
97.02901	1.4
97.50944	0.5
99.04459	0.7
104.68608	0.6
105.07043	2.8
106.07343	1.4
109.02881	1.9
111.08069	1.0
115.05457	3.5
117.03392	16.5
117.05754	1.0
117.06989	0.9
120.08088	1.2
121.10112	0.8
123.11664	0.6
127.03914	1.0
129.68102	0.4
131.08556	0.6
132.08090	3.1
132.08955	1.0
133.05211	0.6
133.06535	1.1
134.03575	0.9
134.06035	2.5
135.04410	0.8
137.05978	3.1
142.06551	0.8
143.04922	1.3
143.07281	0.7
144.96271	0.5
145.02861	49.3
145.10005	0.6
146.06003	4.7
146.10654	0.5
148.07584	21.6
149.06000	4.8
149.09605	1.2
150.09949	1.2
151.03905	1.5
152.11497	0.6
160.07596	79.1
161.06055	0.7
162.05539	0.7
163.03882	1.9
169.12250	1.7
170.06056	1.0
170.12657	1.1
172.07591	1.1
175.07574	8.8
177.05487	100.0
181.04965	0.6
184.07607	2.1
186.05588	2.7
189.05475	1.8
190.08542	0.6
191.11812	23.7
195.06573	1.0
202.08740	0.8
262.08374	0.6
262.18109	3.4
263.18378	6.9
280.19135	2.2
281.19385	2.9
294.11285	2.0
308.12894	1.0
321.09830	3.9
336.12372	5.8
339.10938	4.3
353.17151	2.9
367.16522	1.4
383.11295	1.9
486.17590	1.0
487.19623	0.7
498.17804	1.0
511.20950	0.7
529.21844	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2187
Annotation	Antibiotic UK 2D
Peak:m/z	Relative Intensity
56.05043	0.5
58.06606	100.0
69.03444	0.7
69.56227	1.5
70.06647	0.2
79.38825	0.2
81.03419	1.1
85.02921	0.6
86.09727	0.2
89.03940	0.8
91.05529	0.2
105.07034	0.3
109.02914	0.4
115.05463	1.3
117.03374	1.2
117.05785	0.3
123.04474	0.7
127.03979	0.3
132.08134	0.8
133.06560	0.6
134.06064	1.0
135.04417	2.2
137.02382	0.6
142.06561	0.3
143.04918	1.0
145.02827	2.0
146.06010	3.5
146.07086	0.3
147.04469	0.6
147.06874	0.5
148.07596	0.4
151.05205	0.2
156.08089	0.4
160.07596	13.9
161.06000	4.2
163.03920	14.5
170.06117	0.6
172.07637	0.3
175.03973	0.6
176.07094	0.2
184.07603	1.0
186.05569	0.3
188.07092	0.3
190.15862	0.2
193.50049	0.2
199.06364	0.3
200.07127	0.7
205.13391	4.8
212.07068	0.3
223.45277	0.2
262.08911	0.2
276.10272	0.3
280.09720	1.2
286.08484	0.4
292.09769	0.9
294.11209	1.3
304.09717	0.8
307.08286	0.6
322.10742	4.5
325.09177	0.3
363.85526	0.2
364.11905	0.2
367.18463	0.4
484.16312	0.7
529.21875	44.7
530.22150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.7
55.05512	8.7
67.05504	8.6
69.07083	6.5
69.23563	4.4
71.53176	5.5
79.05505	8.8
81.03419	8.7
81.07062	10.4
85.06550	16.1
85.45518	4.5
91.05477	16.7
93.07059	70.0
95.04957	4.4
95.08617	5.6
98.55949	4.2
105.07039	6.3
107.08617	37.1
115.05457	7.9
129.06985	7.6
135.04442	6.2
135.11716	77.6
137.05992	100.0
143.04942	9.0
151.04054	5.0
153.12759	15.0
154.13048	7.2
157.06534	5.0
160.05229	13.1
173.06009	5.7
174.06496	7.5
175.07574	94.0
187.07547	27.9
189.09117	9.4
205.08667	16.1
235.09712	18.1
291.10260	7.5
323.12607	5.2
341.14084	5.5
346.14871	4.9
493.27881	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	528.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
54.49063	1.2
55.05521	6.5
57.07060	2.8
58.53696	1.3
59.04995	4.8
65.03914	1.4
67.05500	4.9
69.07074	15.7
71.05002	28.5
71.42193	1.4
71.52886	1.4
73.06559	7.7
76.06496	1.5
79.05506	19.1
81.03416	2.1
81.06589	2.6
81.07066	50.9
83.04975	3.3
83.08632	2.0
83.95450	1.6
84.05277	1.6
91.05509	10.4
93.06482	2.4
93.07053	37.8
95.08631	8.3
97.06538	5.5
103.05492	1.9
105.07027	2.6
107.08608	39.9
108.20850	1.3
109.10148	5.7
115.05465	5.1
117.07060	2.5
122.03662	2.4
125.13303	2.3
128.06186	1.4
129.07022	5.5
131.05000	2.0
135.11717	62.5
137.06000	70.2
138.06306	1.8
143.04951	6.2
144.01569	1.4
145.06499	1.7
153.12761	100.0
157.06477	4.7
159.08171	1.3
160.05200	12.8
161.05968	1.8
172.05124	1.8
173.05898	1.6
174.06789	2.0
175.07571	70.9
187.07576	25.5
189.09203	6.9
205.08672	13.3
205.34177	1.6
211.07439	1.5
217.08661	4.6
231.08031	2.1
235.09689	7.8
248.08582	1.4
263.10681	2.6
270.08646	2.3
271.09671	2.5
291.10144	4.9
311.12714	1.4
317.19522	1.4
323.12720	6.6
341.13837	5.0
382.20700	1.5
446.24030	1.7
454.05637	1.4
458.85931	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.01856	1.1
55.05505	3.2
57.03424	2.3
57.07077	4.4
58.06596	4.4
59.04997	1.5
60.09029	0.8
61.02930	1.7
65.03941	1.7
67.05177	1.2
67.05508	14.1
68.05042	1.1
69.03431	7.3
69.07070	10.0
70.06593	10.1
71.04996	4.8
71.53368	0.8
72.08157	5.2
79.05500	4.0
81.03429	5.1
81.06586	1.9
81.07059	35.5
82.06586	1.3
83.04993	1.3
83.08613	2.1
84.08134	1.5
85.02911	14.3
85.06542	20.7
86.09695	3.1
91.05482	3.7
93.03425	0.9
93.07058	6.5
95.04969	11.8
95.08626	4.1
97.02884	7.4
98.06044	2.2
99.04449	1.6
105.07023	7.8
107.08596	5.5
109.02881	3.5
109.06512	1.7
109.10158	38.3
109.27543	0.9
111.04456	1.2
111.08099	1.9
113.05965	1.1
114.05543	1.0
117.07036	1.7
119.08602	2.0
121.06539	1.1
121.10143	2.1
123.04481	0.9
123.08085	1.2
123.11711	32.1
124.03922	2.0
125.05968	1.2
125.09636	4.7
127.03984	5.2
127.11197	51.9
128.07063	5.4
131.08569	2.4
133.06502	2.1
133.10158	4.0
137.05983	2.5
138.59297	0.9
139.07471	1.0
139.11186	1.2
141.05423	1.0
145.05003	4.7
145.06038	0.8
145.10139	3.5
147.04462	1.5
149.09636	2.3
151.03912	40.0
151.04979	2.2
151.11163	10.1
152.04308	1.1
152.17534	0.9
154.05006	1.4
155.08133	1.3
163.03989	1.7
163.06006	1.6
163.11090	1.0
165.09157	1.0
169.04941	4.4
169.12242	100.0
173.07112	1.4
173.09575	1.4
174.05618	0.8
174.07739	2.4
175.08212	1.3
177.05521	1.7
181.04987	1.6
187.13303	20.0
192.06615	2.7
211.14404	0.9
220.06076	3.1
232.09666	1.0
244.16937	1.0
254.61896	0.8
262.18042	13.2
268.08163	1.1
280.19125	9.5
282.20380	0.9
295.08173	1.9
295.15604	1.4
313.09204	3.3
313.16461	2.7
324.14423	1.8
331.17532	12.7
336.10550	1.0
484.28482	3.8
528.16321	1.5
528.29254	3.1
529.21991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65634	1.8
55.05511	4.3
64.95555	1.8
67.05515	6.3
69.07064	7.9
70.64136	5.7
79.05517	4.5
80.05830	1.9
81.03399	6.8
81.07053	6.2
82.03759	2.1
83.08630	2.9
91.05495	5.5
93.07043	5.6
95.04957	2.1
95.08634	4.1
96.68427	2.1
98.97591	2.3
105.07023	4.2
107.08607	3.5
109.06560	2.8
109.10163	4.0
115.05467	5.7
117.07016	2.9
119.08614	2.8
121.10146	2.8
122.03664	5.5
128.06227	3.6
129.07024	8.0
131.04956	3.0
131.08566	2.8
133.10146	2.6
137.04913	4.8
137.05992	100.0
143.04942	10.7
145.06435	2.4
151.03976	2.0
151.07555	2.4
153.12721	4.3
157.06497	7.4
159.08119	2.2
160.05219	16.4
161.05931	1.9
163.07556	4.5
172.05228	4.7
173.06131	2.0
175.07571	97.1
187.07565	42.3
189.09145	11.6
193.12125	3.5
205.08615	24.8
211.07599	2.7
217.08614	10.5
219.08060	2.4
231.07961	2.4
235.09663	18.7
239.07074	4.4
248.08470	4.1
255.06516	5.2
263.10590	2.1
270.08829	4.0
271.09659	5.6
276.07947	2.5
279.10150	3.0
291.10260	10.4
311.12753	4.2
323.12936	12.8
341.13788	13.4
436.32867	2.2
528.37457	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	528.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01862	1.2
55.05500	2.1
57.03422	0.7
58.06597	1.2
64.60909	0.5
67.05187	0.6
67.05504	3.1
69.03432	2.6
69.07063	1.9
69.44938	4.0
70.06605	2.7
71.04992	1.9
71.07381	1.2
72.08163	10.5
78.43982	0.5
79.05498	6.4
81.03440	3.5
81.06593	0.8
81.07067	14.4
83.05003	3.0
84.08144	0.8
85.02922	3.2
91.05499	12.4
93.06564	0.7
93.07066	7.6
95.04982	33.1
95.08613	2.6
96.04443	0.5
97.02888	2.5
97.06532	1.3
99.04465	1.0
103.05444	0.9
105.07044	35.2
106.02969	0.8
107.04939	1.7
107.08603	2.6
109.02901	1.5
109.06496	2.0
109.10156	1.3
110.07178	0.6
111.04424	1.3
111.08095	1.3
115.05350	0.5
117.07033	2.9
119.08601	2.8
121.06495	0.8
121.10155	8.8
123.08099	3.8
123.11720	1.0
124.03976	1.4
125.09660	0.6
127.03888	1.8
128.07089	0.7
129.07014	2.2
130.07846	0.8
131.08583	11.7
133.06514	9.1
135.08047	1.2
139.09947	2.5
143.08589	0.7
145.02873	1.3
145.10147	11.4
147.08080	2.5
149.09633	19.2
151.03905	0.7
151.11166	1.3
155.08586	0.8
160.07591	2.0
163.11168	2.8
167.07051	0.6
169.12242	4.0
173.09628	1.9
177.05489	1.9
181.04922	2.9
189.35448	0.5
191.10608	2.5
209.11768	2.0
220.17023	1.3
236.16544	0.6
244.17043	1.0
260.11676	0.5
262.18054	100.0
263.18491	0.7
264.06689	0.5
268.08298	0.7
280.19101	49.5
318.56335	0.5
323.12384	0.8
331.06750	0.5
336.39725	0.5
402.34796	0.6
484.28076	0.7
529.22351	1.4
535.12775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01862	1.2
55.05500	2.1
57.03422	0.7
58.06597	1.2
64.60909	0.5
67.05187	0.6
67.05504	3.1
69.03432	2.6
69.07063	1.9
69.44938	4.0
70.06605	2.7
71.04992	1.9
71.07381	1.2
72.08163	10.5
78.43982	0.5
79.05498	6.4
81.03440	3.5
81.06593	0.8
81.07067	14.4
83.05003	3.0
84.08144	0.8
85.02922	3.2
91.05499	12.4
93.06564	0.7
93.07066	7.6
95.04982	33.1
95.08613	2.6
96.04443	0.5
97.02888	2.5
97.06532	1.3
99.04465	1.0
103.05444	0.9
105.07044	35.2
106.02969	0.8
107.04939	1.7
107.08603	2.6
109.02901	1.5
109.06496	2.0
109.10156	1.3
110.07178	0.6
111.04424	1.3
111.08095	1.3
115.05350	0.5
117.07033	2.9
119.08601	2.8
121.06495	0.8
121.10155	8.8
123.08099	3.8
123.11720	1.0
124.03976	1.4
125.09660	0.6
127.03888	1.8
128.07089	0.7
129.07014	2.2
130.07846	0.8
131.08583	11.7
133.06514	9.1
135.08047	1.2
139.09947	2.5
143.08589	0.7
145.02873	1.3
145.10147	11.4
147.08080	2.5
149.09633	19.2
151.03905	0.7
151.11166	1.3
155.08586	0.8
160.07591	2.0
163.11168	2.8
167.07051	0.6
169.12242	4.0
173.09628	1.9
177.05489	1.9
181.04922	2.9
189.35448	0.5
191.10608	2.5
209.11768	2.0
220.17023	1.3
236.16544	0.6
244.17043	1.0
260.11676	0.5
262.18054	100.0
263.18491	0.7
264.06689	0.5
268.08298	0.7
280.19101	49.5
318.56335	0.5
323.12384	0.8
331.06750	0.5
336.39725	0.5
402.34796	0.6
484.28076	0.7
529.22351	1.4
535.12775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35287	0.9
53.03943	4.1
55.01864	2.0
55.05517	6.3
57.03441	1.9
58.06596	3.9
62.28101	1.1
65.03931	1.5
67.05513	10.0
69.03429	5.1
70.06602	6.2
71.03115	1.9
71.04996	1.9
71.19144	1.1
72.08167	29.6
79.05078	1.5
79.05503	20.1
80.73746	1.0
81.03416	6.2
81.07066	62.2
82.06594	1.5
83.04993	10.4
84.08147	1.7
85.02924	5.3
86.09753	1.0
91.05487	15.1
93.07063	12.8
95.04982	7.6
95.08620	4.5
97.02899	3.5
97.06539	2.0
98.06059	3.5
99.04465	1.3
103.05492	2.1
105.07047	35.0
106.02953	1.1
107.05011	2.6
107.08596	5.6
109.02893	2.4
109.06518	3.1
109.10152	3.8
111.04465	1.3
116.07086	1.1
117.07033	14.3
119.08599	9.9
121.10143	5.2
123.04451	1.6
123.08065	2.4
123.11716	4.6
124.03978	3.5
127.03957	3.1
128.07109	2.1
129.06999	2.6
130.07793	2.0
131.08585	10.2
133.06458	3.4
133.10080	1.8
135.04428	1.7
135.08075	1.9
135.11684	2.7
137.05957	1.5
143.02745	1.5
143.08650	1.1
145.04997	2.0
145.06461	4.6
145.10139	37.1
147.04402	3.5
147.08105	3.5
147.11746	6.4
149.09634	3.6
151.11195	3.2
152.10687	2.8
154.76163	0.9
155.08594	2.3
161.05978	1.6
163.03967	1.3
163.07507	1.5
163.11194	6.1
169.12221	3.1
173.09686	7.4
177.05611	1.1
180.10229	3.9
182.11685	1.4
187.13306	1.5
191.10664	10.8
218.21208	1.1
244.17012	15.7
252.12386	1.6
262.18057	100.0
268.08276	1.9
280.19110	65.6
295.15591	1.4
313.16461	2.3
484.28339	3.8
510.23462	2.2
528.10516	1.8
528.23706	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	528.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25551	1.4
53.03946	3.8
55.01888	1.6
55.05506	7.0
57.03463	1.8
65.03932	2.2
67.05517	19.4
69.03435	4.1
70.06586	6.8
70.83977	2.2
70.84305	1.4
71.07385	4.0
72.08165	79.4
77.89695	1.8
79.05503	29.6
81.03430	5.0
81.07053	6.6
84.08167	2.6
85.02908	4.3
87.00780	1.6
90.09193	3.8
91.05491	33.4
93.03429	2.6
93.07034	4.6
95.04981	5.2
95.08611	2.6
97.02865	1.9
98.06093	2.1
103.05480	8.0
105.03397	1.7
105.04557	2.0
105.07041	100.0
107.04984	7.3
107.08638	2.9
109.02902	1.8
114.09175	4.5
115.05450	3.6
115.51261	1.5
116.06259	2.1
117.07027	50.1
119.08583	7.5
124.07633	2.7
127.03992	2.7
128.06247	3.4
129.07013	25.6
130.07790	4.6
131.04958	2.9
131.08586	88.2
133.10110	1.9
139.09959	5.5
143.08539	4.0
143.48766	1.7
144.05745	2.2
145.06471	11.3
145.10138	79.6
147.04431	3.4
147.08109	1.6
147.11693	10.1
151.03906	2.6
153.07021	3.3
155.06084	1.9
155.08566	9.7
162.12784	3.7
164.10754	2.9
173.09654	41.0
226.15979	1.6
244.17003	85.2
262.18024	14.4
280.19113	3.4
504.78195	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25551	1.4
53.03946	3.8
55.01888	1.6
55.05506	7.0
57.03463	1.8
65.03932	2.2
67.05517	19.4
69.03435	4.1
70.06586	6.8
70.83977	2.2
70.84305	1.4
71.07385	4.0
72.08165	79.4
77.89695	1.8
79.05503	29.6
81.03430	5.0
81.07053	6.6
84.08167	2.6
85.02908	4.3
87.00780	1.6
90.09193	3.8
91.05491	33.4
93.03429	2.6
93.07034	4.6
95.04981	5.2
95.08611	2.6
97.02865	1.9
98.06093	2.1
103.05480	8.0
105.03397	1.7
105.04557	2.0
105.07041	100.0
107.04984	7.3
107.08638	2.9
109.02902	1.8
114.09175	4.5
115.05450	3.6
115.51261	1.5
116.06259	2.1
117.07027	50.1
119.08583	7.5
124.07633	2.7
127.03992	2.7
128.06247	3.4
129.07013	25.6
130.07790	4.6
131.04958	2.9
131.08586	88.2
133.10110	1.9
139.09959	5.5
143.08539	4.0
143.48766	1.7
144.05745	2.2
145.06471	11.3
145.10138	79.6
147.04431	3.4
147.08109	1.6
147.11693	10.1
151.03906	2.6
153.07021	3.3
155.06084	1.9
155.08566	9.7
162.12784	3.7
164.10754	2.9
173.09654	41.0
226.15979	1.6
244.17003	85.2
262.18024	14.4
280.19113	3.4
504.78195	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01876	1.1
55.05509	2.4
57.03424	0.9
58.06597	1.1
65.03963	0.7
67.05511	3.3
69.03416	2.0
69.56581	2.3
70.06593	2.3
71.04993	1.0
71.07366	0.4
72.07806	0.7
72.08162	8.6
79.05498	7.1
81.03424	3.6
81.07063	10.6
83.04972	2.5
84.08143	0.5
85.02913	2.8
85.06535	0.6
91.05486	14.2
93.07046	9.2
93.12666	0.4
95.04979	35.4
95.08622	1.0
97.02897	1.5
97.06536	0.9
99.04433	1.4
103.05443	1.1
105.07039	39.1
107.04938	2.0
107.08616	2.1
109.02889	1.3
109.06502	1.1
109.10220	0.8
111.04456	1.0
112.07594	0.6
116.06238	0.6
116.07092	0.7
117.07033	4.0
119.08591	3.9
121.06509	0.6
121.10152	9.7
123.04371	0.7
123.08067	1.9
124.03915	0.7
127.03928	0.9
129.06999	1.2
131.08585	16.2
133.06499	9.9
135.08063	1.3
139.09955	1.6
140.10780	0.6
143.08514	0.6
145.10144	12.1
147.04489	0.6
147.08070	2.6
147.11676	1.0
149.09639	22.3
151.03922	0.6
152.04204	0.5
163.04063	0.7
163.11188	2.6
169.12251	1.0
173.09612	1.2
177.05467	0.8
181.04982	11.3
184.09721	0.5
191.10611	2.9
192.07878	0.6
199.05975	0.9
209.11798	1.2
244.17033	0.7
262.18045	100.0
263.18555	1.1
280.19098	54.1
313.16342	0.5
325.09232	0.8
328.14249	0.7
338.22906	0.6
343.10147	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
53.04169	0.8
55.05523	10.0
65.03934	1.8
67.05510	11.9
69.03451	0.8
69.07061	2.2
70.05650	3.5
70.06586	2.4
72.08164	32.9
79.05501	21.6
81.03413	2.0
81.07070	17.3
83.04970	1.7
83.08613	1.1
85.06539	1.0
91.05489	16.0
93.07059	18.0
95.04987	4.9
95.08619	9.5
97.06551	0.8
98.06059	1.2
103.05462	1.0
105.07042	22.9
107.04958	3.2
107.08595	13.0
109.06529	1.6
109.10143	2.1
110.25027	0.7
115.05467	0.9
116.83286	0.7
117.07039	4.8
119.04916	1.5
119.08594	10.3
121.06496	2.2
121.10173	4.0
123.08055	1.0
128.06248	2.7
129.07001	4.4
131.08577	18.0
133.06506	3.3
133.10156	5.7
135.08061	1.4
135.11620	0.9
139.09927	2.8
140.10703	0.8
141.07016	3.1
142.07791	2.9
143.08575	20.2
145.06491	1.8
145.10133	8.0
147.08022	2.0
147.11708	5.8
149.09581	0.8
149.13216	1.1
152.10741	0.9
153.06880	1.0
154.07799	1.2
155.08559	10.4
155.09721	0.9
156.09373	1.2
157.06525	1.0
157.10156	10.4
159.08075	2.5
159.11702	3.8
161.09604	1.1
165.07014	2.4
166.07777	1.1
167.08566	2.3
168.09386	1.5
169.10123	10.5
170.10910	0.7
171.08090	2.2
171.11722	5.2
173.09663	2.0
173.13280	2.3
175.11218	3.6
179.08560	2.5
180.09392	1.8
181.10109	7.2
182.10864	1.5
183.08093	1.1
183.11711	7.9
185.13315	4.0
187.14844	0.8
189.09056	0.7
192.09418	1.0
193.10143	4.5
195.11703	8.1
197.09648	1.6
197.13257	4.4
199.11246	2.0
199.14830	2.2
201.12764	1.6
205.10165	2.4
206.11006	1.2
207.11716	2.4
209.09651	1.3
209.13297	2.9
211.11133	1.6
211.14844	2.4
213.12759	1.8
213.16423	1.3
215.14317	0.8
218.10875	1.1
219.11734	1.6
221.13310	2.7
223.11224	1.2
223.14859	2.8
225.12735	1.7
225.16447	4.2
227.14418	1.3
227.17940	1.0
233.13336	1.4
235.11230	1.0
235.14867	2.3
236.15604	1.0
237.12799	1.5
239.14320	1.2
246.18564	7.9
247.14926	1.6
249.16507	1.0
251.14453	1.3
253.15948	2.8
253.19556	2.3
261.16504	1.2
263.17978	1.4
270.18643	2.1
279.17676	1.0
279.21054	0.9
281.19003	1.6
287.05438	0.9
293.22714	2.0
303.21198	1.5
307.20578	1.2
316.05389	0.9
317.05426	1.4
321.22238	3.2
331.20523	1.7
349.21570	3.0
392.29385	4.1
394.31189	1.6
402.28052	1.2
420.29004	15.5
438.30072	3.3
473.35190	1.1
491.36371	47.4
505.13257	0.9
509.37433	100.0
510.37796	1.1
527.14447	3.4
527.38611	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	527.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.8
55.01870	19.1
55.05295	5.1
55.05515	47.1
57.03444	31.5
59.04989	5.3
61.02929	15.1
67.05514	94.4
69.03433	28.4
69.07073	34.9
70.91358	11.1
71.04996	8.1
73.02934	9.2
79.05508	48.2
80.17805	4.9
81.03422	40.2
81.07066	46.0
82.54746	4.6
83.01358	6.9
83.04963	21.7
83.08624	28.8
85.02917	38.6
85.06535	6.7
87.50399	4.8
91.03947	14.2
91.05495	36.6
93.07066	36.1
95.04987	22.7
95.08606	20.7
95.94090	4.9
97.02902	26.6
97.06539	9.9
97.10166	30.6
99.04462	8.6
105.07047	27.9
107.04959	8.8
107.08603	37.1
109.02888	16.0
109.06496	8.2
109.10171	67.8
111.04467	8.1
111.08068	8.0
112.07713	4.2
117.07021	15.0
119.08598	22.3
121.06489	8.4
121.10165	12.4
123.04340	4.7
123.08051	12.8
124.46233	4.2
125.05983	5.0
125.09656	29.5
127.03937	18.9
129.05537	6.4
129.07001	10.3
131.08545	14.5
133.10101	6.7
135.08084	8.9
135.11731	9.6
137.06003	14.0
137.09616	6.0
143.08556	5.1
145.10133	17.7
147.08076	10.5
151.11143	6.4
155.10649	6.4
157.10173	5.4
161.06052	6.9
161.09610	6.2
163.11195	19.1
169.10422	4.4
173.11760	15.6
175.07564	8.6
175.11243	9.2
181.12343	5.2
187.11165	4.4
189.11226	18.1
189.12758	5.2
193.12251	7.7
199.11372	4.6
209.11713	9.5
211.13310	9.5
223.13277	15.8
227.12811	14.3
229.14372	19.0
249.14905	6.8
273.18491	12.6
283.15329	13.5
291.16544	7.5
291.19562	100.0
325.14526	5.0
347.22092	11.2
365.23343	30.3
478.06628	4.8
509.26926	7.1
527.28448	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
57.03442	0.5
59.13997	0.3
67.05518	0.7
69.03426	0.4
69.07082	0.4
70.06590	0.4
70.83628	0.7
70.83968	0.3
71.04997	0.4
72.97532	0.3
79.05513	0.6
81.03430	0.8
81.07066	0.8
85.02905	0.3
89.74011	0.3
91.05487	0.6
93.07059	0.7
95.05000	0.5
95.08618	0.6
97.06551	0.9
105.07079	0.5
107.08623	0.5
109.10168	0.6
111.08119	0.3
119.08633	0.7
133.10095	0.3
135.11710	0.4
145.10196	0.5
227.05336	0.5
227.14917	0.4
233.11739	0.6
234.12076	0.5
245.06432	0.6
251.15036	0.5
261.18231	0.8
279.19522	3.0
321.19104	1.5
363.20139	0.4
423.23471	1.4
441.24588	5.9
441.30191	0.6
447.23163	0.4
465.24701	5.3
483.25717	16.1
509.23651	16.3
527.24695	100.0
528.25116	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.05502	5.5
67.05495	5.5
69.07067	3.8
70.78014	2.9
70.78344	4.1
71.04996	15.2
73.06554	4.6
79.05468	6.5
81.07064	24.2
91.05485	4.6
92.87337	2.7
93.07047	17.8
95.08619	3.5
105.07081	2.7
107.08603	14.2
109.10142	3.9
115.05451	6.0
116.83893	2.3
129.07068	3.3
131.04924	2.8
135.04413	31.5
135.11691	29.5
137.05977	27.4
143.04918	7.7
145.06500	6.0
146.27301	2.5
153.12755	100.0
157.06537	2.8
173.05994	38.2
175.07626	16.0
185.05960	15.0
187.07527	9.0
203.06993	9.3
203.08705	3.5
215.06992	3.0
233.08089	9.1
335.33643	2.7
339.12497	4.4
397.67282	2.4
401.46240	2.5
429.91830	2.8
527.37036	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.6
53.22029	1.2
55.05515	14.5
57.03440	10.6
57.07076	2.5
59.04993	3.6
65.03901	1.9
67.05513	91.4
69.07076	15.2
69.15722	13.7
71.04999	1.4
71.08641	3.2
79.05515	6.8
81.07067	35.9
83.08615	12.3
85.06535	2.7
89.06036	11.8
91.05502	10.0
93.07063	8.4
95.04995	1.6
95.08068	2.4
95.08619	25.5
97.10168	2.7
105.07034	3.3
107.08585	6.4
109.10168	71.0
111.08103	3.4
119.08630	7.2
121.10149	1.9
123.11719	4.0
125.09613	1.5
133.08617	8.1
133.10114	3.0
135.11714	1.6
137.09615	3.2
147.11765	1.6
151.14890	1.3
155.10687	6.5
173.11769	14.7
177.11214	2.5
227.12924	1.5
229.14372	100.0
245.22697	3.1
263.23706	4.3
324.75772	1.3
327.20181	10.6
337.27405	73.5
491.37375	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	527.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
53.40255	0.4
55.05515	0.7
58.02977	0.7
67.05486	1.1
69.03422	0.8
70.06586	1.1
71.52506	0.7
78.39035	0.5
79.05468	0.7
81.03413	1.2
81.07056	1.0
85.02911	1.3
90.45856	0.5
91.05494	1.1
93.07013	1.2
95.04959	1.1
95.08611	0.8
97.02930	0.9
103.05461	0.7
105.03407	16.5
105.07051	0.7
107.04993	0.6
107.08625	1.0
109.02867	0.6
109.10184	0.8
115.05440	0.9
117.05885	0.5
117.07025	2.3
121.10146	0.7
129.06996	0.6
130.06541	1.9
131.04842	0.7
131.08588	0.8
136.07597	5.3
137.05984	1.4
139.03912	4.8
143.07341	6.3
144.08099	100.0
145.06497	0.7
145.08372	0.5
151.03937	0.9
155.06084	0.7
156.08125	5.8
157.08891	5.9
157.10059	0.8
158.09676	12.6
161.05782	0.5
162.09143	1.2
163.03915	1.0
167.07256	1.3
168.08054	3.7
173.09676	0.7
186.09164	50.3
193.05003	0.5
207.06558	0.6
233.08430	0.6
236.10725	1.6
248.10745	1.4
253.07112	0.7
279.14954	48.8
290.11737	0.8
318.13232	0.5
321.16000	25.3
359.11349	0.8
361.20502	0.5
483.25107	0.7
527.25134	3.6
527.31543	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.9
53.59000	2.3
55.05504	5.9
57.07068	3.1
59.04999	4.3
67.05494	8.1
69.07075	18.4
69.25473	18.1
71.04999	20.8
73.06543	5.3
76.60142	2.9
79.05499	16.1
81.03404	2.7
81.07059	49.2
83.04970	2.9
83.08607	6.3
87.58235	2.4
89.05998	5.0
91.05484	10.1
93.07050	40.6
94.73248	2.8
95.04961	2.3
95.08598	10.0
97.06525	6.6
105.07040	4.5
107.08604	32.3
109.10131	11.8
115.05502	3.1
119.08501	3.8
127.77883	2.8
128.55978	2.4
129.07019	4.6
131.04951	4.6
133.08609	5.4
135.04411	29.3
135.10698	4.7
135.11705	64.8
137.05989	16.3
143.04951	4.7
145.06493	5.1
149.02303	3.6
150.13319	2.4
151.03880	4.1
151.11176	4.0
153.12755	100.0
157.06473	3.5
169.08574	2.7
173.06009	20.9
175.07547	16.2
185.05959	8.4
187.07556	11.3
203.07057	6.5
215.07071	2.6
233.08092	4.5
289.08411	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	526.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38902	0.6
57.07081	40.8
67.05514	1.0
69.07090	1.4
70.06592	2.4
73.06573	0.7
77.03917	1.1
79.05490	3.3
81.03403	1.7
81.07040	1.9
85.06552	55.8
91.05479	1.8
93.03437	0.8
93.07065	1.3
94.04206	1.3
95.04966	1.1
95.08602	1.0
97.06541	15.0
103.05489	1.8
105.03392	1.0
107.08607	1.2
109.06538	1.5
115.05463	5.6
116.07093	4.6
117.07038	1.7
122.03645	3.1
123.04421	1.2
125.85234	0.7
128.06190	1.8
129.07019	8.8
131.04956	3.4
131.08543	1.1
135.04427	100.0
135.11685	1.5
137.05989	71.3
142.41206	0.7
142.50337	0.8
143.04936	8.7
145.06487	5.6
147.04462	1.1
149.02383	1.5
149.06021	1.2
151.03909	3.0
151.07520	0.9
153.05457	1.5
153.12769	18.2
155.06081	0.9
157.06496	8.1
159.04474	1.4
160.05205	3.9
161.06012	3.4
163.07578	2.2
165.05406	0.9
169.59470	0.7
172.05211	1.0
173.05998	37.6
174.06808	1.7
175.07556	20.4
185.05991	16.8
186.06831	0.9
187.07558	16.8
189.09100	6.1
191.08574	0.9
197.06071	0.8
203.06981	12.6
203.08600	2.2
205.08533	3.4
209.06076	1.3
215.07065	5.7
217.08665	2.9
219.08171	2.2
231.08063	3.2
233.08093	15.9
235.09671	3.9
247.07652	1.1
248.08308	1.2
257.11874	1.3
259.07452	1.5
261.09195	2.1
263.07733	0.8
263.10669	1.7
268.07382	1.2
269.08215	2.2
276.07797	1.0
277.08673	2.2
281.08331	1.2
289.08588	3.9
291.10214	3.6
294.08926	0.8
299.96509	0.8
309.11261	5.1
321.11203	7.9
326.96887	0.8
339.12271	8.2
366.93213	0.8
423.18240	1.7
526.36176	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.0
57.07087	3.7
58.57718	2.9
61.77108	2.9
62.62500	2.5
63.49435	2.7
67.05492	3.1
69.98622	12.1
70.06606	3.0
73.44035	2.3
78.72191	3.0
79.05479	7.5
81.03410	4.5
81.07056	4.3
85.06554	15.8
91.05498	15.6
93.06490	5.3
93.07055	77.8
95.08588	3.1
97.06544	2.8
105.07054	3.7
107.08598	37.1
107.63535	2.8
108.76869	2.7
114.74213	2.6
115.05468	8.7
119.08616	4.4
128.06183	3.4
129.06992	9.5
131.04918	6.8
135.04427	100.0
135.11699	69.9
137.05997	51.1
137.84888	2.7
143.04939	19.7
145.06499	10.2
151.07588	3.5
157.06522	5.1
160.05209	4.3
161.05983	5.9
165.05530	3.5
166.81671	2.9
173.05994	69.4
173.07368	5.8
175.07584	47.0
182.10564	3.1
185.05997	32.2
185.68343	2.9
187.07590	21.6
189.09135	5.7
203.07037	23.5
205.08665	5.2
215.07135	2.7
219.08032	4.2
233.08121	26.4
235.09673	6.3
289.08621	5.6
321.11133	6.5
339.12189	6.3
367.75748	2.8
381.54224	2.6
475.14490	3.4
507.01947	3.3
526.36499	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	526.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43375	1.5
58.90751	1.5
66.80433	1.6
67.05508	3.0
69.03413	1.3
69.07077	24.8
70.52699	3.6
78.56269	1.5
79.05479	1.7
81.03421	1.6
81.07036	2.4
83.05021	1.4
86.09697	2.1
91.05477	5.6
93.07008	1.6
94.04229	2.2
103.05449	4.3
105.07031	2.9
107.04939	1.8
107.08580	1.6
109.10108	1.7
115.05466	3.9
117.00365	1.5
117.07019	2.7
120.73740	1.3
122.03676	6.5
123.04480	6.8
128.06262	3.0
128.22708	1.2
129.05492	2.3
129.07045	6.8
130.35591	1.3
131.04948	12.1
131.08597	3.3
131.30249	1.3
133.06441	3.7
137.05994	100.0
141.06990	2.5
143.04941	2.6
143.08568	4.4
144.05711	2.3
145.06487	4.8
147.04385	3.3
149.05991	5.2
151.03914	9.8
151.07553	7.0
153.05505	2.1
153.07014	3.9
155.08577	2.8
157.06485	9.8
159.08192	1.8
160.05180	11.9
161.06007	22.0
163.07552	5.3
165.07022	2.0
165.09154	1.4
166.07799	2.7
167.08560	3.1
169.06506	2.7
169.10135	1.9
171.08047	3.0
173.05992	8.6
173.09714	2.3
174.06737	4.1
175.07579	23.3
177.09094	5.0
178.07820	3.1
179.07120	1.8
179.08553	3.8
181.06564	7.0
183.08049	4.6
185.06013	1.5
185.09607	1.4
186.06784	2.1
187.07597	11.4
189.09122	42.5
189.10776	3.1
191.10693	3.3
194.07330	4.2
195.08015	4.6
195.11781	2.5
197.06026	2.5
199.07561	5.3
201.09120	12.0
203.06947	1.8
203.10692	4.0
205.06827	1.4
205.08588	6.9
206.07405	2.0
207.08104	2.6
207.11743	1.9
208.08839	1.9
209.09584	3.2
210.06693	2.2
211.07578	4.4
212.08325	7.4
213.09120	6.1
215.10706	5.3
217.08562	6.5
219.10097	2.8
221.09706	1.9
223.11217	6.7
224.08356	9.1
225.09125	5.0
225.12694	2.7
227.10690	6.3
229.08647	3.7
235.09508	1.9
238.09995	1.8
239.10646	6.3
241.12285	30.6
242.79970	1.3
243.10144	2.3
243.13855	4.0
253.12260	39.2
255.13939	2.4
257.11798	2.1
261.09012	2.2
269.11728	4.9
271.13330	23.8
281.11826	1.6
285.08948	1.9
287.13327	1.8
288.50812	1.6
289.08740	2.3
298.09818	1.6
299.12808	6.3
300.07776	2.2
301.08667	1.8
303.10144	4.4
314.09265	2.0
315.10019	3.0
317.14078	1.6
319.09564	2.2
331.09753	1.5
334.11826	2.4
343.09555	3.2
343.13324	4.9
345.11075	3.1
345.14951	4.4
348.13589	1.7
355.13409	2.3
358.12003	3.9
361.14395	2.6
363.16003	2.5
365.17670	2.8
375.15765	2.5
376.13058	1.5
377.17496	17.8
387.15903	4.8
393.16867	3.2
395.18353	7.8
405.16980	16.8
423.18045	9.9
441.18713	2.4
526.35901	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12095	1.1
53.03946	1.5
55.05505	6.8
57.07076	2.4
59.05004	3.2
65.03931	1.5
67.05515	4.0
69.07079	13.8
69.23828	8.2
69.24257	4.0
71.04995	29.7
73.06565	6.4
73.69627	1.4
76.93042	1.4
79.05497	16.2
81.07064	49.4
83.04974	7.1
83.08613	2.7
84.05292	1.7
91.05466	9.2
93.07049	41.6
95.04974	2.3
95.08625	8.7
97.06528	4.2
98.21544	2.2
105.07041	3.3
107.08604	39.9
109.10155	5.4
111.08094	1.7
115.05482	5.8
123.11727	1.9
129.07001	5.4
131.04956	2.7
135.04416	35.0
135.11705	61.1
137.05980	23.6
143.04948	10.8
145.06496	4.8
153.12758	100.0
157.06477	3.9
157.84303	1.7
160.05211	3.6
161.05954	2.6
173.05984	35.8
175.07544	20.9
185.05977	15.6
187.07584	10.2
189.09053	2.0
191.08420	1.5
203.07037	10.7
205.08693	2.4
215.07048	2.9
219.08051	1.5
233.08087	7.5
248.58832	1.5
269.08212	1.4
289.08426	1.4
309.11148	1.6
339.12268	2.5
342.45383	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98961	3.8
54.69481	3.7
57.07067	3.5
59.88751	3.6
69.16882	17.6
69.17309	20.5
71.97068	3.5
72.08147	10.1
78.79731	3.8
79.05507	13.3
81.07063	8.0
91.05479	13.8
93.07056	33.4
95.08621	6.8
97.06514	8.2
98.21549	6.4
103.05473	6.4
104.10754	7.6
105.07066	7.3
107.04969	4.9
107.08611	48.5
109.10143	7.2
114.88173	4.3
115.05462	14.6
120.54785	5.4
122.03643	4.7
129.07010	9.9
131.04910	5.6
135.04427	89.7
135.11713	26.7
137.05977	56.4
139.92850	3.8
143.05005	24.2
143.05936	5.8
145.06483	14.5
153.12735	9.8
153.64616	3.4
157.06541	11.2
160.05193	8.3
161.06052	6.2
173.05995	100.0
173.09541	3.9
175.07574	47.5
185.05960	38.6
187.07582	27.1
189.09166	6.9
203.06975	24.5
205.08676	6.2
233.08121	25.3
234.41261	3.6
235.09665	6.9
246.18605	3.8
261.20749	4.4
289.08682	9.3
339.12286	12.3
471.35913	4.9
495.47256	3.4
508.36029	7.8
509.16147	3.9
515.11255	3.9
526.35480	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	526.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
55.05510	1.8
57.03439	2.7
62.50825	1.0
67.05492	2.8
69.03446	1.7
69.07079	10.4
70.91359	2.6
78.97453	1.0
79.05506	8.2
81.03417	2.6
81.07050	4.4
83.05009	1.8
84.08137	1.5
85.02901	2.9
91.05490	9.6
93.07049	2.2
95.04996	1.6
97.02872	1.2
97.06542	59.2
103.18694	0.9
105.06982	1.8
107.04985	1.4
109.06520	1.0
109.10207	1.1
116.14885	0.9
119.04966	4.2
119.08473	1.1
127.03845	1.1
129.06963	1.2
133.10130	0.9
137.05991	47.9
137.39949	0.9
138.26303	0.9
142.40378	0.9
143.53580	1.2
145.06476	1.5
145.10132	1.0
149.05994	1.5
157.06430	1.9
159.08171	1.4
161.06029	1.7
163.11127	1.2
169.10219	1.3
173.05975	1.2
185.09627	1.9
187.07559	1.4
189.09151	4.2
191.06956	1.1
197.09637	1.4
201.09135	2.1
205.12271	1.9
213.09187	1.6
215.10713	14.6
227.10718	1.3
228.90648	1.0
229.12234	1.2
231.10144	1.7
233.11751	100.0
243.10213	1.7
257.20859	1.0
267.13873	1.5
273.42838	1.2
285.14902	3.1
287.12830	3.5
301.17599	1.1
311.16473	6.2
322.34308	1.0
329.13559	2.2
329.17493	41.3
347.18491	4.3
508.29980	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80196	4.4
59.42746	4.2
62.20755	6.2
69.84917	19.0
69.85332	8.8
70.58020	4.8
79.05480	8.1
81.03402	5.3
81.07054	6.0
85.06541	16.1
88.58554	4.8
91.05484	16.9
93.07051	90.7
98.20779	10.2
101.94830	4.9
103.05519	8.5
105.07029	12.2
106.43743	4.4
107.08600	50.5
109.64033	5.3
115.05462	15.6
129.06998	17.0
135.04427	96.7
135.11699	100.0
137.05992	48.1
143.04915	20.3
145.06482	20.1
157.06535	9.5
161.06007	5.8
173.05983	77.6
175.07510	34.1
185.05936	34.3
187.07570	18.6
203.06992	23.9
233.08171	25.5
277.38910	4.9
355.11462	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	526.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62465	1.4
51.97863	1.4
53.03952	4.5
55.05527	9.6
55.05756	1.8
57.07083	3.3
59.04996	4.5
63.75738	1.8
66.46558	1.5
67.05515	4.7
67.53398	1.6
67.88609	1.6
69.07076	16.4
70.77936	4.6
71.05001	22.8
73.06577	7.7
79.05499	20.0
81.03439	3.7
81.07064	38.0
83.04987	8.1
84.05325	2.0
91.05489	15.7
93.07054	76.3
95.04976	3.9
95.08617	7.9
96.57574	1.6
97.06534	7.6
103.05460	2.1
105.07043	7.1
107.08607	54.9
109.06540	4.1
109.10166	8.9
111.04454	2.5
115.05457	12.9
117.07055	5.3
119.08609	2.8
122.03690	2.6
123.11710	2.9
128.06215	3.1
129.07018	14.9
131.04950	7.0
133.10193	2.0
135.04431	100.0
135.11702	83.8
136.04784	2.6
137.05997	42.6
143.04933	18.0
145.06509	11.3
147.08087	1.6
149.02356	1.6
151.03952	2.4
151.07704	1.7
151.11217	2.9
152.11578	2.9
153.12766	78.4
157.06494	13.9
157.57626	1.6
159.04399	2.1
160.05237	5.6
161.05994	3.2
163.07481	2.3
172.05199	3.2
173.06006	74.7
174.06749	1.6
175.07570	34.9
183.63187	1.5
185.06003	28.5
186.06842	2.1
187.07523	21.2
188.08195	1.5
189.09175	3.8
197.06038	2.2
203.07030	25.6
203.08559	1.9
203.76816	1.7
205.08577	7.5
215.07104	13.0
219.08069	2.5
229.05762	2.0
233.08122	21.9
235.09726	4.6
261.08984	2.2
268.07343	2.7
269.08044	2.6
272.58435	1.6
277.08810	2.2
289.08765	2.4
321.11227	4.5
339.12259	4.7
526.36151	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	525.364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62428	1.4
53.03949	3.1
53.84939	1.5
55.01880	2.5
55.05517	22.8
57.03440	2.6
57.07084	10.5
58.34276	1.8
59.04998	1.8
67.05515	25.3
69.03427	5.0
69.07076	52.8
69.69405	10.3
70.06583	2.4
71.04984	6.5
71.08628	4.4
78.02367	1.6
79.05501	13.6
81.03427	3.1
81.07066	100.0
83.04981	2.0
83.08627	21.6
85.02909	8.4
85.06548	11.5
89.60993	1.7
91.05488	8.7
93.07054	33.6
95.04952	3.0
95.08617	71.4
95.44191	1.6
97.02889	4.0
97.06529	8.5
97.10171	14.4
99.08092	4.5
105.07045	11.3
107.08609	28.9
109.09466	3.0
109.10172	38.9
111.08079	11.0
111.11742	14.2
113.48078	1.5
115.07478	1.5
116.07052	2.9
119.08578	10.8
121.10159	23.2
123.11720	40.5
125.09637	3.4
125.13299	4.3
127.11194	4.3
131.08603	1.9
133.10123	7.0
135.11700	19.2
137.05969	1.9
137.13271	31.5
139.11195	6.4
141.12773	4.7
145.10130	1.9
147.11711	9.9
149.13255	18.6
151.14832	7.2
153.12764	13.4
155.14328	14.9
161.13275	6.8
163.14841	7.3
165.12775	6.8
165.16415	1.9
167.14310	3.1
171.13797	5.9
173.15372	2.0
175.14839	3.4
177.16399	4.7
183.13776	2.8
189.16411	2.0
191.17960	3.6
203.18028	2.4
205.19479	4.4
217.19420	7.7
223.20512	2.2
235.20567	4.3
241.21736	2.7
253.21585	4.6
261.25696	2.8
266.63718	1.7
273.25754	16.1
279.26822	11.1
289.05286	2.4
291.26840	38.7
297.27960	8.0
309.24289	2.2
309.27884	27.3
315.28912	4.6
327.25351	35.2
327.28928	6.0
345.26266	5.1
345.30075	11.3
481.24234	2.7
525.22949	22.0
525.30341	5.3
539.98352	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.9
55.01862	10.9
55.05298	2.9
55.05516	27.6
57.03426	10.4
59.04995	12.0
67.03093	2.8
67.05185	4.2
67.05514	57.5
68.00141	2.7
69.03417	9.5
69.07082	21.7
70.06603	5.4
70.60404	2.9
71.04997	23.6
77.03916	3.1
79.05505	64.3
81.03432	50.8
81.07061	51.0
81.49237	3.1
82.95523	3.2
83.04972	22.3
83.08627	26.2
83.55369	2.9
85.02892	5.9
85.06547	9.0
87.04495	5.2
91.05484	59.6
93.07054	47.9
95.04982	31.9
95.08610	23.5
97.02896	5.9
97.06542	22.6
97.10165	20.1
99.04459	4.4
99.08106	6.4
104.10515	3.0
105.07036	47.4
107.04957	16.3
107.08611	38.5
109.06533	11.4
109.10162	17.8
111.04456	12.9
111.08096	14.9
117.07046	11.3
119.08589	31.5
121.06499	8.2
121.10139	30.1
123.04465	6.3
123.08090	4.7
123.11717	4.1
125.06015	4.9
125.09659	15.4
129.07010	15.9
131.08589	35.3
133.06496	7.1
133.10126	27.7
135.04388	11.2
135.08080	7.1
135.11685	10.2
137.05989	17.9
137.09637	4.3
139.11185	5.1
141.06998	5.4
143.08536	6.3
145.06488	4.6
145.10159	16.7
147.04430	4.0
147.08035	6.2
147.11713	21.9
149.05994	4.5
149.09645	41.7
151.11198	4.2
153.09100	9.3
153.12793	6.9
157.10161	22.7
159.08105	4.6
159.11676	6.0
161.06111	3.6
161.09622	5.2
163.07608	3.6
163.11169	15.0
165.12743	6.8
167.06941	5.4
167.10759	3.7
169.10023	3.9
171.08109	3.9
171.11671	5.5
173.05957	4.1
173.09659	5.0
175.11215	24.5
177.12807	3.4
181.12234	8.5
182.07468	3.1
185.13248	4.8
187.11234	5.6
189.09399	3.8
189.11189	11.8
191.10703	5.4
193.12234	58.0
197.15356	7.6
199.07674	3.5
199.13271	5.0
203.14211	4.4
209.11708	14.1
210.06708	3.1
211.13312	74.7
213.12764	3.9
215.10789	4.8
216.15680	3.6
225.12924	4.6
225.14793	15.1
227.12746	10.4
231.13834	4.6
233.11734	11.4
235.13271	7.3
249.14954	11.9
267.16003	9.9
283.15402	8.9
329.17499	8.8
355.22583	7.7
365.21194	10.1
373.70090	3.0
383.22083	24.6
401.23285	27.2
415.24734	7.1
419.24338	3.9
433.25897	19.2
451.26935	8.0
457.25766	11.7
475.26950	26.3
489.28348	5.5
493.28000	30.0
507.29581	91.8
525.23480	5.6
525.30688	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3066
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
53.03950	9.0
55.01874	9.5
55.05522	36.8
57.03442	7.2
57.07078	3.6
58.06601	8.7
59.05009	10.9
61.02931	3.8
65.03939	4.6
67.05511	60.7
69.03439	7.3
69.07069	17.4
70.07201	9.9
71.01401	2.8
71.04996	25.6
76.04650	2.5
79.05064	5.8
79.05504	59.9
81.03427	64.0
81.07062	55.7
82.91712	2.3
83.04998	20.3
83.08626	27.9
84.08110	2.6
85.02924	10.7
85.06567	9.8
87.04491	7.4
90.94341	2.5
91.05496	60.6
93.07050	50.4
94.52647	2.6
95.04987	28.5
95.08631	23.4
97.02929	8.8
97.06551	17.4
97.10177	18.9
98.21454	3.4
99.08083	4.6
105.07047	39.8
105.93100	2.6
107.04994	17.0
107.08610	39.4
107.79974	2.6
109.02910	2.9
109.06549	7.7
109.10159	16.1
111.04456	13.0
111.08113	10.0
113.41677	2.8
115.03946	2.9
117.06974	14.0
119.08600	32.0
121.06538	8.5
121.10160	39.1
121.58460	3.0
123.04479	7.5
123.08112	10.3
125.06027	5.2
125.09686	12.2
128.06187	2.9
129.06998	20.5
131.04956	3.4
131.08585	30.8
133.06534	6.6
133.10126	31.9
135.04424	17.1
135.08073	9.0
135.11720	10.8
137.06015	11.4
137.09605	4.6
143.08588	6.3
145.10168	9.8
147.04453	3.6
147.08070	6.9
147.11722	25.9
149.06041	3.4
149.09651	38.2
153.09203	6.5
153.12801	12.2
155.08615	3.9
157.06453	3.0
157.10155	19.4
159.08090	4.0
159.11777	4.1
161.06017	7.2
161.13338	2.9
163.11188	16.6
165.12827	5.8
167.10753	7.5
169.10225	7.9
175.07648	5.9
175.11238	24.1
181.12251	14.4
187.11281	3.8
189.11290	9.5
189.12810	3.8
191.10664	6.4
193.12276	57.6
195.11935	2.6
197.15442	3.9
199.13368	7.0
203.14426	3.3
205.12329	3.2
209.11729	12.6
211.11374	3.9
211.13304	81.0
211.15282	4.3
223.13426	4.2
225.12976	4.3
225.14839	17.9
227.12775	15.9
231.13840	5.9
235.13383	3.9
249.14868	19.7
263.16458	4.3
267.16010	13.6
277.14401	4.2
283.15561	8.8
299.91739	2.7
337.21786	3.7
355.22919	7.9
365.21140	8.9
373.24036	4.9
383.22250	30.6
386.50742	2.7
401.23309	28.5
415.24945	8.6
419.24539	4.8
421.26053	3.8
433.25885	19.2
447.27286	3.0
451.27109	4.7
457.25806	8.6
475.27023	39.7
489.28577	6.9
493.27911	34.4
507.29602	93.3
525.30780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96077	2.5
53.03943	8.4
54.09831	2.6
55.01867	8.3
55.05516	32.5
57.03437	7.0
59.05008	14.4
59.23550	2.4
61.02911	4.2
65.03942	3.0
67.05183	4.2
67.05515	60.6
69.03432	9.1
69.07073	16.2
70.06615	4.1
70.20848	2.6
70.92850	6.0
71.01368	3.8
71.05007	25.4
73.02940	2.8
79.05067	5.0
79.05502	60.0
79.99865	2.3
81.03429	66.2
81.06593	3.6
81.07066	63.2
83.04993	23.1
83.08631	31.9
85.02905	9.9
85.06568	7.1
86.36804	2.8
87.04482	5.5
91.03954	3.0
91.05493	57.0
93.07061	48.6
95.04977	29.7
95.08612	26.2
97.02900	10.6
97.06526	19.9
97.10186	18.2
105.07039	40.0
107.04963	14.5
107.08608	38.2
109.02910	4.7
109.06530	8.5
109.10181	15.9
111.04475	12.3
111.08089	11.6
115.05468	4.2
117.07050	16.0
119.08586	28.5
120.09031	3.4
121.06540	7.4
121.10158	37.9
123.04450	7.4
123.08098	5.5
123.11713	3.3
125.05987	4.6
125.09631	14.4
129.07014	21.7
131.08586	29.3
133.06485	8.2
133.10150	31.1
135.04433	9.5
135.08078	6.3
135.11707	8.5
137.05989	10.6
137.09653	4.7
139.11189	4.4
141.06993	4.5
143.08569	5.9
145.06517	5.5
145.10167	11.0
147.08038	7.1
147.11714	28.1
149.05972	4.1
149.09642	38.6
151.07576	3.2
153.09135	8.9
153.12766	11.7
155.08632	3.5
157.10153	25.4
159.11742	5.5
161.06046	4.4
161.09700	5.7
161.13330	3.7
163.07706	2.9
163.11189	12.8
165.09219	6.3
167.10730	5.8
169.10231	4.0
171.08080	2.6
171.11736	3.5
173.09676	3.8
175.07692	3.4
175.11223	21.8
179.14301	3.6
181.12303	7.2
183.11714	3.6
185.13269	5.9
187.11307	3.7
189.11267	11.3
189.12779	4.1
191.10686	4.1
193.12250	54.3
195.11708	3.0
197.15398	4.3
199.13312	6.9
201.12836	4.1
205.10349	3.3
205.12166	3.6
209.11745	10.5
211.13300	87.8
211.15286	4.7
215.10851	3.1
225.14859	16.4
227.12849	15.1
229.12300	2.9
231.13864	5.3
235.13396	7.4
249.14896	24.2
253.14510	4.3
263.16458	3.5
267.15887	12.7
283.15448	11.7
337.21707	8.0
355.22678	8.0
365.21140	8.7
373.23788	6.3
383.22211	29.0
401.23294	29.8
415.24915	9.5
419.24765	6.4
419.50955	3.0
421.25861	5.4
433.25974	18.3
451.26944	4.5
457.25842	12.8
475.27057	35.4
489.28513	7.2
493.27957	29.3
507.29645	92.6
507.37149	5.8
525.30670	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01846	0.8
60.90459	0.3
65.03925	0.3
67.05469	0.3
68.99792	2.2
69.99424	1.3
74.26732	0.3
79.05461	1.2
80.34861	0.3
81.07050	0.3
91.04974	0.4
91.05482	3.8
93.07018	0.8
95.01288	0.4
95.04939	0.8
102.04675	0.5
103.05473	2.8
105.03307	0.3
105.06990	1.2
106.04154	0.5
107.04956	2.0
109.06512	0.7
111.00794	1.1
115.05395	0.5
117.03320	0.8
118.04168	2.3
119.04945	0.8
119.55527	0.3
120.05712	0.5
121.05685	0.6
121.06506	9.5
123.00826	0.8
123.04381	1.0
124.01536	0.4
125.05955	0.4
130.04126	1.4
131.04932	3.1
132.05670	0.7
133.02875	0.5
133.06508	4.5
134.03548	1.6
135.04425	14.9
135.08032	0.9
137.02338	0.4
137.05946	1.0
139.00276	3.0
140.04694	2.3
145.06453	1.6
146.03638	1.4
147.04388	0.8
147.08000	1.2
148.05138	1.4
149.05984	9.3
151.03908	0.6
153.01793	0.4
153.05460	0.7
155.03394	0.4
155.07126	0.4
157.06487	3.5
158.49214	0.4
159.04486	0.5
160.05167	0.9
161.05992	26.8
163.03899	1.6
163.07516	0.4
165.05472	0.9
166.06253	0.7
167.07022	3.0
168.00449	0.4
169.01308	1.9
173.05923	0.5
175.07565	4.6
176.04639	1.9
177.05473	2.7
178.06232	1.2
179.06972	0.6
185.05997	3.0
187.03937	0.4
187.07568	1.7
189.05479	4.6
191.07031	3.0
192.07796	0.7
193.04993	0.8
193.08580	1.2
199.03908	0.5
201.05440	1.0
203.07140	1.6
207.06522	1.1
213.05486	2.4
215.06944	0.4
217.04936	1.8
225.07539	0.6
229.04881	0.6
231.06493	2.8
233.84566	0.3
241.04823	0.4
242.05693	0.8
244.03560	0.5
245.04521	1.7
246.05234	0.8
257.04480	1.9
259.05975	0.6
269.04495	1.4
271.05969	0.8
272.03131	1.0
272.06699	1.4
274.04788	1.0
285.03922	2.8
287.05511	95.4
288.06070	1.3
299.05408	1.7
300.06284	3.5
301.07095	4.8
302.04276	1.1
303.05038	0.6
313.07056	3.0
315.04990	100.0
316.05774	12.6
317.06552	11.5
327.04907	0.4
329.06888	0.5
331.04572	1.1
341.06448	0.6
353.06668	1.9
357.06219	0.5
359.07477	0.5
371.07712	2.3
381.38086	0.4
456.54321	0.3
475.10544	0.4
495.12805	3.7
507.05203	0.7
507.12903	23.6
525.13965	83.8
526.14441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	4.9
66.47435	0.6
71.50946	1.1
71.95255	2.1
71.95979	0.6
79.69027	0.6
98.97591	100.0
116.98630	45.6
121.03643	0.6
134.89812	0.6
134.99658	12.6
140.00195	1.4
174.97633	0.6
198.97809	1.0
201.79141	0.6
216.98904	1.8
219.01965	0.7
232.96732	1.8
234.99944	4.6
240.98700	9.8
256.96780	2.6
258.99817	94.2
260.00128	2.7
261.00317	1.1
261.03076	2.8
274.97693	7.2
275.97986	2.3
277.00861	78.6
278.01123	2.1
279.01068	0.7
282.01407	1.9
283.00012	22.8
284.00159	1.8
292.98929	1.9
295.01810	0.9
298.97852	8.5
299.97910	3.3
300.02563	1.6
300.97806	1.1
301.01077	16.4
302.01251	1.8
303.01160	1.1
314.95749	0.7
316.98975	9.9
317.98996	2.9
340.99191	1.5
359.00101	8.6
364.99301	2.6
374.98218	0.9
382.99942	32.0
383.99994	1.0
398.98300	1.3
399.97964	1.1
401.01050	88.1
402.01199	3.5
403.01270	0.8
416.98785	1.2
417.98892	0.6
419.02325	8.6
423.88513	0.6
424.02811	3.6
425.01096	1.9
440.99133	4.0
441.99084	3.8
443.02194	2.7
458.99756	2.5
460.00079	3.3
483.00082	0.9
484.00046	1.1
484.14490	0.8
500.97815	0.8
507.00125	5.3
509.48581	0.8
525.01282	55.3
526.01611	2.1
542.99280	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	524.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	1.3
53.03931	2.1
55.05514	12.4
57.03442	16.0
57.07080	12.0
59.05000	3.8
65.03934	3.3
67.05510	100.0
69.07076	10.2
71.04990	3.5
71.08630	5.5
71.23658	3.4
79.05504	21.9
81.03426	18.0
81.07068	48.7
81.28913	1.3
82.03747	3.2
83.04963	2.6
83.08619	13.8
85.06557	2.4
85.10186	3.3
91.05489	16.3
93.07050	26.6
95.04998	6.7
95.08607	32.1
97.06551	1.4
97.10147	3.3
105.07037	9.3
107.08605	11.9
109.06521	2.2
109.10165	73.8
111.08087	2.2
117.07016	3.3
119.08576	12.5
120.34814	1.5
121.10136	10.5
123.11703	4.8
125.09551	2.3
131.08586	7.9
131.09421	1.4
133.07562	1.7
133.10126	4.8
135.11713	7.1
137.09607	3.6
144.61882	1.5
144.78641	1.4
145.10129	4.8
147.11691	6.0
149.13286	5.1
155.10698	6.6
159.11743	3.1
161.13266	2.2
163.14821	2.7
173.11772	19.0
173.13190	3.2
193.12312	6.8
194.12593	4.1
227.12753	1.4
229.14369	85.8
243.21019	3.6
261.22208	14.7
267.15945	13.0
268.16251	10.0
313.27411	10.6
314.27658	14.1
317.24777	2.6
335.25824	86.5
489.28964	2.4
489.35788	44.1
506.39233	16.7
536.00684	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3719
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.39100	0.3
53.49702	0.2
55.05514	0.3
56.05030	1.2
57.03431	0.4
57.07081	3.6
58.06587	1.6
60.08170	16.9
67.05503	0.7
68.29436	0.3
69.07069	1.0
69.80337	0.4
69.80752	0.9
71.07380	6.7
71.08627	1.5
77.86604	0.3
81.07058	1.3
83.08641	0.7
85.10208	0.7
86.09712	51.4
88.47250	0.3
93.07063	0.6
95.08610	1.3
97.10191	0.4
98.98478	3.0
104.10752	100.0
107.08622	0.3
109.10173	1.2
121.10203	0.3
123.11730	0.4
125.00014	29.5
125.29330	0.3
131.19159	0.3
163.01637	0.4
173.56311	0.3
184.07355	94.2
195.36588	0.3
258.11029	0.9
309.88135	0.3
341.30484	1.3
506.36053	9.3
524.37152	44.2
525.37390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.1
56.05031	1.6
57.03438	1.1
57.07079	4.8
58.06593	1.1
60.08172	16.4
67.05505	3.4
69.07065	3.5
69.59894	1.8
69.60327	1.9
70.06586	0.9
71.04970	0.6
71.07380	6.3
71.08633	2.5
72.08961	0.6
76.07653	0.6
79.05492	2.0
80.05844	0.7
81.03427	4.2
81.07063	7.2
82.03768	0.6
82.07408	1.2
83.05009	0.8
83.08626	2.2
85.10198	1.5
86.09715	49.2
88.07645	0.9
89.06065	0.6
91.05499	1.6
93.07047	1.7
95.04994	1.1
95.08612	6.7
96.08934	1.3
97.10154	0.8
98.20686	1.1
98.98473	3.9
104.10756	100.0
105.07050	1.2
107.04997	0.6
107.08616	1.4
109.06544	0.7
109.10171	1.8
116.96300	0.6
119.08595	1.0
121.06510	1.1
121.10139	1.1
125.00018	26.8
133.10132	0.6
137.13269	2.6
138.13602	1.3
139.07535	1.1
151.03958	1.9
151.07576	6.7
152.07909	2.7
165.05531	1.9
177.05577	0.5
179.03419	0.6
184.07361	95.0
189.09132	0.8
190.09451	1.0
193.12317	1.5
201.09247	0.8
202.09477	1.1
244.22774	2.2
258.11105	1.3
267.16022	2.2
268.16397	2.2
298.08255	1.6
299.08813	1.8
311.09186	1.8
312.09433	2.4
313.27457	1.9
314.27786	3.1
341.30597	1.7
352.12753	1.0
368.19504	0.7
382.13846	0.6
399.14471	0.6
435.21359	2.5
461.36264	3.4
506.26187	2.2
506.36456	8.4
524.37158	44.3
524.46429	3.6
542.92200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76473	2.2
52.19333	2.1
53.03940	4.6
55.01862	3.1
55.05502	8.7
57.03430	4.8
57.07068	9.0
58.07409	2.5
67.05516	16.6
69.07069	4.5
69.43330	14.1
71.05007	2.5
71.08636	4.9
79.05507	12.5
81.03418	19.6
81.07059	22.4
82.03720	4.3
83.08615	8.4
85.10201	3.6
91.05487	19.6
93.07065	16.3
95.04967	11.2
95.08597	10.7
97.06502	2.3
97.10150	3.5
98.10574	2.3
103.05479	4.7
104.23155	2.2
105.07031	17.0
107.04962	2.6
107.08607	10.3
109.06511	4.9
109.10178	13.0
111.35699	2.0
115.05446	8.0
117.07024	6.9
119.08595	3.2
121.10175	3.7
123.08073	8.6
123.11694	5.4
128.06258	5.0
129.07001	17.2
131.04898	4.3
131.08569	4.9
133.10150	31.4
135.04430	100.0
135.11697	2.3
137.05975	15.5
137.09653	4.5
143.04900	10.3
144.05760	2.6
145.06490	7.0
148.55020	2.0
149.02409	3.2
151.03864	3.2
151.11208	33.9
155.06058	2.7
157.06467	15.8
159.04393	3.3
160.05203	2.5
161.06032	2.8
173.05992	59.1
175.07584	12.6
175.11067	2.3
185.06015	19.4
186.06790	6.6
187.07515	15.9
193.12248	5.0
194.12503	2.8
202.24002	2.0
203.06987	12.4
205.08594	2.7
215.07036	21.8
233.08018	12.3
235.07472	2.7
239.07158	2.5
246.14107	2.8
247.07336	3.4
249.09084	3.2
267.06589	4.2
267.16098	10.9
268.16385	10.4
275.07129	2.9
277.08569	3.6
287.30756	2.3
289.08578	2.6
295.09482	2.5
307.09650	5.9
313.27322	7.7
314.27628	13.7
319.09525	3.6
321.11493	3.1
337.10687	2.7
339.12552	3.3
339.19543	2.3
339.28955	3.5
459.21759	2.9
471.21973	2.7
489.22632	4.9
506.39584	12.3
533.38489	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	524.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01872	0.8
55.05516	3.1
57.03452	0.5
57.07087	0.8
65.03914	0.5
67.05514	5.2
68.31618	0.5
69.03436	30.4
69.24449	1.1
69.24855	3.4
71.05006	3.5
79.05497	2.6
81.07066	22.2
82.70837	0.4
86.09705	1.3
87.10058	0.6
91.05499	4.9
93.07058	11.2
95.04982	7.1
95.08624	3.2
96.05761	0.8
97.06536	3.6
104.05217	0.4
104.10749	0.9
105.07046	8.3
105.11086	0.6
107.04991	0.5
107.07878	0.9
107.08604	14.4
109.06527	30.6
109.10165	6.6
109.10860	0.8
123.08089	5.5
123.11713	12.4
125.00007	1.2
131.08534	0.5
133.10141	8.5
135.04378	0.9
137.05966	0.7
151.11194	100.0
173.06049	0.7
175.07524	0.5
184.07358	2.9
185.06064	0.5
185.07664	1.1
186.07838	0.9
339.29056	0.8
376.75980	0.5
524.36133	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
55.05506	3.1
55.85007	0.8
57.55206	0.7
62.18921	0.6
67.05505	6.4
69.03435	28.2
69.07065	1.5
69.85269	0.7
71.04998	3.4
75.12625	0.7
77.69479	0.7
79.05505	3.5
81.07061	20.3
91.05489	4.6
93.07049	11.2
95.04971	9.1
95.08607	3.4
96.05781	1.3
97.06554	3.7
105.07021	6.3
106.09752	0.6
107.08609	13.0
109.06533	24.7
109.10172	5.6
119.64415	0.7
119.91016	0.7
123.08104	4.0
123.11719	11.9
129.80280	0.7
131.08543	1.0
133.10158	8.8
133.89056	0.7
135.04407	1.1
135.13199	0.7
137.05949	1.8
151.11198	100.0
165.08998	0.7
173.05913	1.1
175.07620	1.1
181.94234	0.7
185.06050	0.9
204.31297	0.7
511.51871	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.6
55.05522	10.8
67.05494	0.6
69.03452	3.1
71.05004	0.7
71.52876	1.1
73.94958	0.6
79.05515	1.1
81.07079	3.6
82.34306	0.6
83.04990	100.0
91.05488	0.7
93.07040	0.9
95.04964	0.8
95.08616	0.9
105.07051	1.2
107.08597	1.7
109.06508	3.3
109.10175	1.5
122.03674	1.2
123.11739	1.1
129.07002	1.0
133.10179	1.2
135.04430	25.8
137.05994	23.3
145.06543	1.3
147.58659	0.6
150.16312	0.6
151.11209	9.5
155.04817	0.7
157.06465	1.1
173.06047	2.3
181.27675	0.6
185.06033	1.6
187.07622	1.6
189.09155	1.0
203.07002	0.9
215.07043	0.8
233.08296	0.8
289.08560	1.2
307.28488	1.1
321.11237	4.2
339.12485	1.4
494.48245	0.7
503.09088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.8
55.01863	1.8
55.05523	14.3
57.03450	16.4
57.07086	46.5
65.03941	2.1
67.05512	30.1
69.03436	1.5
69.07085	13.6
69.32435	1.2
69.32727	11.1
70.97505	1.3
71.05001	3.0
71.08643	29.1
72.61607	1.2
79.05505	16.7
81.03432	70.4
81.07074	29.0
82.07378	1.6
83.04989	7.9
83.08636	24.1
85.02915	2.8
85.10194	17.0
86.17850	1.3
89.06024	3.5
91.05498	23.2
93.07053	14.6
94.07365	2.6
95.04989	19.5
95.08627	26.1
96.08951	2.2
97.02867	1.5
97.06538	4.1
97.10182	5.1
105.07054	14.5
107.04987	4.2
107.08654	8.4
108.08955	2.0
109.06519	6.0
109.10180	13.7
111.08118	3.7
111.11731	1.6
116.69521	1.4
119.08611	11.9
121.06499	2.3
121.10179	8.3
123.04476	1.5
123.08119	1.8
123.11762	7.5
129.07051	9.0
131.08586	8.8
133.06535	2.3
133.10152	6.8
135.11710	5.7
137.09641	1.7
137.13237	2.1
139.11230	3.0
142.07857	1.7
144.12268	1.3
145.10107	1.7
147.08072	2.4
147.11739	9.4
149.09647	4.4
151.11147	3.3
152.11488	1.5
157.10114	6.1
165.12851	2.3
175.11223	8.6
193.12273	52.5
208.40259	1.3
211.13382	7.0
239.23813	5.0
249.14920	4.2
267.15961	82.9
313.27414	100.0
505.38974	50.5
506.38638	1.5
523.39990	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	523.4
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91952	1.7
51.98283	1.8
53.03943	5.0
55.01873	2.7
55.05521	11.3
57.03450	18.6
57.07083	34.0
60.08168	4.8
62.34204	1.6
65.20840	1.6
67.05514	21.4
67.74530	1.7
69.07077	9.9
70.96125	4.1
71.07368	1.9
71.08641	27.9
79.05495	13.4
81.03426	87.7
81.07063	23.4
83.04973	4.7
83.08632	26.2
85.06537	2.2
85.10188	15.7
86.09711	8.2
91.05473	16.7
91.11230	1.8
93.07051	9.8
95.04982	19.9
95.08617	22.1
97.02905	1.7
97.10151	4.1
104.10751	17.8
105.07029	11.1
105.11075	4.1
107.04980	5.3
107.08616	5.4
107.37759	1.7
108.72295	1.8
109.06520	4.0
109.10177	11.3
111.04490	2.4
111.08071	4.5
115.05414	2.4
117.07000	2.8
119.08578	11.4
121.06486	4.1
121.10133	4.8
123.08067	1.9
123.11742	4.0
125.00021	5.5
128.06215	2.7
129.07019	7.7
131.08571	7.1
133.06525	2.3
133.10181	3.9
135.04428	4.0
143.21970	1.7
145.10037	2.2
147.08081	2.4
147.11697	4.8
149.02409	2.7
149.09647	3.7
157.10139	11.3
173.05978	4.7
175.07693	3.0
175.11212	6.9
184.07384	19.5
185.07736	5.1
193.12265	38.8
211.13321	2.5
229.90184	1.8
239.23709	5.0
249.14879	4.4
267.15936	95.9
313.27383	100.0
332.96207	2.1
349.42868	2.0
448.67291	1.8
505.38943	63.9
522.73431	1.8
523.14355	2.0
523.23236	2.6
523.36041	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	524.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.7
55.05516	11.7
69.28143	2.3
75.29440	0.3
79.05517	0.4
83.04988	100.0
91.05559	0.3
94.04198	0.5
95.05013	0.4
100.07639	0.4
109.05888	0.3
109.06503	1.6
122.03687	1.0
123.11720	0.4
128.06259	0.3
129.07018	1.1
135.04425	29.2
137.05989	25.6
138.11308	0.3
143.04930	0.6
145.06567	0.7
149.05971	0.3
151.11192	3.0
152.10818	0.3
157.06496	1.4
173.05989	2.2
175.07603	0.8
185.05978	1.7
187.07521	1.6
189.09195	0.8
202.07944	0.3
203.06946	0.5
203.08614	0.7
215.07066	1.2
217.08728	0.5
231.08191	0.7
233.08145	0.6
248.08328	0.4
261.09195	0.5
263.10858	0.5
289.08627	1.3
291.10211	0.5
321.11304	3.7
339.12360	1.8
340.87787	0.3
396.10907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.6
55.05503	14.1
57.03448	20.4
57.07083	49.0
62.48894	4.7
67.05516	24.7
69.07066	11.3
69.50473	23.4
69.50904	6.6
69.74442	4.0
71.08632	30.2
79.05503	19.5
81.03422	92.6
81.07061	28.0
83.04987	5.7
83.08619	23.8
85.02940	6.7
85.10181	17.0
91.05481	14.6
93.07050	14.9
95.04964	30.2
95.08613	32.0
105.07047	19.8
107.04968	5.4
107.08622	8.1
108.69298	4.2
109.10159	13.1
110.11339	4.1
111.08067	7.3
118.43768	3.8
119.08569	12.7
121.10121	6.4
123.11755	5.8
129.07024	7.6
131.08556	6.2
132.82947	4.1
133.06540	4.8
135.11684	5.7
137.13220	4.9
145.10130	7.3
147.11696	10.8
149.09529	5.5
157.10129	16.9
163.11212	11.6
175.11212	9.1
193.12280	48.2
211.13364	6.9
221.23000	4.1
225.02214	4.1
227.12862	8.5
228.13110	7.1
239.23659	4.9
239.58496	4.3
240.15355	5.2
267.15958	95.6
313.27411	100.0
505.38940	61.1
523.39594	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.0
55.01863	3.3
55.05518	11.2
56.54245	1.5
57.03447	18.1
57.07082	39.2
67.05511	28.4
69.03429	2.8
69.07070	12.0
71.08642	28.6
79.05518	11.2
81.03426	81.9
81.07066	26.4
83.04991	5.8
83.08628	21.6
85.02916	1.9
85.10188	14.2
91.05486	16.0
93.07045	7.1
95.04974	19.4
95.08622	21.1
97.10173	7.6
105.07063	11.1
107.04955	5.2
107.08618	3.4
109.06498	2.2
109.10173	12.3
111.08076	7.6
115.05454	2.9
117.73142	1.8
119.08612	12.2
121.06559	2.4
121.10146	3.7
123.11675	3.8
129.07018	6.8
131.08578	7.5
133.06439	3.7
133.10199	2.8
142.07782	2.9
147.11688	7.5
149.09624	3.7
150.15436	1.8
157.10152	6.8
165.12859	2.9
175.11191	5.8
193.12253	44.2
211.13293	3.9
229.38115	2.1
239.23792	3.4
249.14854	3.0
257.24756	3.8
267.15942	98.6
269.60062	1.8
313.27393	100.0
411.09979	2.1
478.08786	2.3
505.38974	70.1
523.22687	2.7
523.39575	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	523.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.1
55.01874	2.7
55.05516	12.4
57.02803	2.0
57.03442	25.2
57.07082	46.2
65.03935	3.5
65.76959	1.8
67.05509	35.1
69.03436	1.9
69.07076	15.7
69.81786	6.4
71.04984	3.2
71.08636	29.9
76.54185	1.7
79.05061	2.5
79.05496	21.3
81.03424	94.6
81.07066	56.6
83.04975	3.3
83.08158	2.1
83.08628	28.4
85.06545	2.6
85.10191	17.0
89.06048	2.1
91.05482	16.9
93.07050	15.4
95.04987	25.7
95.08616	46.3
97.06551	1.7
97.10182	7.9
99.08102	2.9
105.07027	11.1
107.04971	6.1
107.08601	6.3
107.25394	1.9
109.06510	2.8
109.10161	19.4
111.08053	6.1
117.07030	2.2
119.08585	15.1
121.06538	4.4
121.10131	8.1
123.08053	3.4
123.11725	4.6
128.06224	1.8
129.07004	7.7
131.08583	10.0
133.06480	4.5
133.10152	5.0
135.04425	3.3
135.11707	3.1
137.09650	3.0
137.13271	19.3
139.07542	2.1
147.08057	5.0
147.11685	7.5
149.09648	5.6
151.03888	11.2
151.07555	39.0
157.10106	6.1
163.11171	2.9
165.05498	7.4
173.05920	2.1
173.11761	2.1
174.06789	2.1
175.11145	9.9
177.05441	2.0
179.03412	1.8
179.14323	6.2
186.32082	1.7
189.05458	3.3
189.09126	7.7
191.07062	2.7
193.12263	41.2
201.05566	3.8
201.09077	5.1
203.10564	2.4
203.17603	1.6
205.08693	2.2
211.13231	2.5
215.07056	3.0
219.10103	2.0
227.26978	2.0
229.14410	4.4
231.10205	3.3
231.13765	2.6
233.08105	2.5
239.23680	7.4
241.08568	3.6
255.10101	2.0
257.24634	2.6
267.15952	100.0
277.21661	4.9
298.08392	16.3
299.09177	3.9
311.09161	17.2
313.27408	96.1
320.10474	2.8
337.18161	2.6
351.12320	11.8
351.25122	2.8
353.29150	1.9
369.13336	9.0
381.13116	6.1
399.14276	4.7
434.20853	7.3
487.24789	4.1
505.25748	11.9
505.39105	66.9
523.26727	5.6
523.39667	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	523.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.1
53.38760	1.5
53.53128	1.3
55.01871	8.5
55.05515	19.6
55.69606	1.4
57.03431	4.6
57.07077	11.1
59.28220	1.3
61.02926	3.1
61.36225	1.3
62.04422	1.5
65.03938	3.1
67.05176	2.5
67.05510	32.0
68.99789	4.5
69.03436	40.3
69.07079	43.2
69.25827	13.1
71.01340	1.9
71.04985	3.3
71.08642	3.3
72.08126	2.1
73.02930	1.9
76.54706	1.3
79.05499	21.6
81.03432	18.4
81.07065	84.5
83.04991	7.4
83.08632	17.3
85.02916	25.8
85.06525	9.7
87.00851	11.0
87.04455	2.6
91.05502	15.2
91.06039	2.4
93.07054	40.0
93.36436	1.4
95.05003	10.2
95.08617	100.0
97.02901	14.0
97.06539	15.0
97.10192	9.9
99.04462	7.4
99.08092	4.6
103.03983	1.7
103.05457	2.1
105.01862	4.9
105.07048	27.0
105.07703	3.1
107.04954	4.9
107.08603	40.8
109.02892	7.9
109.06551	10.0
109.10165	54.5
111.04427	5.7
111.08092	15.6
111.11707	7.6
115.03928	6.4
116.07051	1.8
117.07021	4.3
119.08593	24.2
120.08155	7.1
121.06500	5.3
121.10157	29.7
123.04417	4.3
123.08055	6.8
123.11722	34.7
125.09624	7.0
125.13277	3.3
127.03934	15.5
128.06224	1.9
129.01814	3.7
129.06987	4.0
131.08578	10.3
133.06500	3.7
133.10141	18.1
135.08058	6.8
135.11716	22.9
137.05963	4.7
137.09669	7.4
137.12321	2.5
137.13278	31.4
139.07526	2.1
139.11197	1.9
143.08559	6.0
145.04929	1.7
145.10126	12.9
147.08067	6.3
147.11676	12.6
149.09601	6.3
149.13271	19.8
151.03915	2.4
151.11227	4.1
151.14821	5.5
153.09099	5.9
155.08556	3.0
157.10143	6.0
159.02895	5.0
159.08067	3.2
159.11725	10.8
161.09642	4.4
161.13261	9.7
163.07564	2.0
163.11154	2.9
163.14830	10.6
165.09100	9.7
165.12753	3.4
165.16364	1.7
167.14369	1.8
169.10088	2.3
171.11659	3.5
173.09599	2.0
173.13297	7.8
175.11198	3.3
175.14812	7.2
177.09088	2.8
177.12793	1.6
177.16360	6.1
178.03616	1.4
178.93172	1.4
179.10764	2.2
179.14243	2.1
181.10094	1.7
183.11757	2.5
185.09653	1.9
185.13257	3.9
187.11227	1.8
187.14844	5.0
189.03952	4.7
189.09171	3.8
189.16399	3.3
191.10696	3.5
191.17975	4.7
193.12222	2.0
199.14995	3.2
201.03935	3.5
201.12708	2.3
201.16420	2.6
203.17952	4.3
205.19496	2.5
207.10172	3.2
207.13791	2.1
207.17241	1.8
213.16487	3.0
215.17929	3.1
217.19553	3.3
219.17484	1.9
219.21080	2.8
223.20639	1.6
231.05008	5.8
233.15137	1.6
239.18076	1.5
247.16980	2.2
273.25803	2.2
285.25793	2.2
291.26538	2.4
299.27142	1.8
303.26840	3.1
305.28183	2.1
315.26920	2.8
317.28433	3.5
329.28339	2.1
333.27853	2.6
347.29590	3.4
359.29504	4.7
365.28281	4.0
371.29614	1.7
383.29443	13.0
401.30533	13.4
419.31525	6.4
469.29245	2.9
487.25299	1.6
487.30704	16.0
505.31567	13.5
523.21216	3.1
523.33203	11.9
529.31085	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55877	0.3
52.31526	0.3
56.96562	0.7
57.09447	0.3
58.06590	0.5
60.99422	0.3
63.34021	0.3
69.03424	0.4
70.06560	0.7
71.53014	0.4
75.76804	0.3
84.54609	0.3
85.02888	0.4
90.05111	0.3
97.02905	0.4
98.97595	0.7
115.05486	2.0
116.07041	0.4
117.03427	0.3
117.05755	0.9
118.88949	0.3
132.08099	3.5
133.06392	0.5
134.05960	0.5
135.04436	0.5
142.06496	0.7
143.40158	0.4
145.02844	0.5
151.03920	0.6
156.03319	0.5
159.06821	0.6
160.07588	100.0
161.07880	0.9
163.03917	3.3
164.04257	0.6
177.10240	16.7
186.04471	0.4
204.05417	0.4
219.01991	0.4
237.02798	0.5
264.58469	0.5
349.08081	0.4
455.42792	0.3
502.25983	0.4
523.22894	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	523.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01867	2.8
55.05523	6.0
57.03428	4.1
57.07079	10.0
59.88980	1.1
63.20521	1.2
65.03943	1.7
67.05514	14.8
69.07080	11.2
69.62557	7.2
71.08653	5.9
71.08971	1.1
73.52028	1.0
74.09727	2.5
77.16373	1.2
79.05498	9.7
81.03424	25.3
81.06588	2.7
81.07064	50.1
83.04980	2.3
83.08625	7.2
85.10196	3.1
91.05479	11.0
93.07058	6.5
95.05005	7.1
95.08615	39.1
97.10165	2.9
103.05459	2.0
105.07029	6.5
107.04947	7.4
107.08604	4.6
108.05739	3.2
109.06511	2.5
109.10165	10.7
111.08068	1.5
111.11705	2.2
117.07024	2.6
119.05009	1.7
119.08586	4.1
121.06510	2.4
121.10108	1.6
123.04417	2.1
123.11681	2.2
128.06187	1.2
129.07028	3.7
131.04929	2.5
131.08562	4.0
133.06520	2.0
133.10193	1.4
135.04427	2.6
135.11725	1.8
136.05229	4.5
137.13268	35.7
139.07593	1.2
145.06496	5.5
147.04407	2.7
147.11717	3.2
151.03917	27.0
151.07555	100.0
157.06483	4.8
157.10184	1.4
157.43222	1.2
158.07266	1.5
159.04437	2.7
159.08057	2.9
160.08919	1.6
161.06049	2.0
164.37814	1.1
165.01846	2.1
165.05486	26.3
165.09119	3.7
169.06448	1.5
172.08899	1.6
173.05989	4.2
174.06796	5.4
175.07520	4.0
175.11090	2.3
176.08315	1.2
177.05489	3.1
177.09123	2.5
179.03416	6.5
179.07069	3.1
181.72919	1.4
185.06024	1.9
187.07629	2.2
188.08363	3.6
189.05498	8.1
189.09122	17.4
191.07057	3.6
191.10748	2.9
193.12286	9.3
195.08044	1.5
197.05989	3.5
199.07513	2.1
201.05458	11.0
201.09125	10.9
203.07068	5.7
203.10710	5.5
205.12393	1.6
211.07460	1.5
211.13345	1.6
213.05501	5.0
213.09140	1.5
215.07086	10.1
215.10678	2.2
217.08560	1.8
219.06479	1.4
219.10152	4.7
223.93802	1.1
224.08296	2.4
225.05534	1.7
225.09132	2.4
227.07022	2.2
227.10634	2.3
229.08636	1.9
231.06528	4.8
231.10216	5.0
233.08031	2.5
233.11700	1.4
239.07076	3.6
239.10875	1.8
239.23758	1.4
240.07777	2.5
241.08601	4.7
243.06509	2.6
243.10220	1.9
245.08099	3.7
249.09114	1.8
253.08598	2.2
255.06607	3.7
255.10110	7.1
259.17270	1.2
262.09933	1.5
263.07153	1.3
263.10666	1.3
267.06577	2.7
267.10132	1.5
267.13345	1.9
267.15939	20.3
269.08148	2.1
271.09683	1.2
275.06894	1.6
277.08630	2.2
279.06143	1.0
280.07312	1.6
281.08228	2.0
281.11716	2.7
281.15372	1.2
283.06082	1.7
283.09528	2.5
284.07053	1.3
285.14731	1.4
285.18423	1.2
287.16519	3.3
289.08551	2.3
290.09439	2.1
293.11682	3.5
293.33511	1.2
296.06870	1.8
297.07526	1.5
298.08380	25.1
299.09290	5.5
302.09576	1.5
305.08115	2.9
309.07135	1.1
309.11292	1.4
310.08438	2.2
311.09122	39.8
313.10791	2.2
313.27383	25.2
319.09653	3.7
320.10468	3.5
321.07721	1.4
321.11200	4.6
322.08380	1.7
323.09186	3.2
324.09872	3.0
325.10992	1.9
325.17871	1.3
328.72845	1.4
332.10361	1.3
333.11447	1.8
335.09015	2.2
336.09958	2.2
337.10684	2.6
337.17975	5.7
339.12454	2.0
349.10712	2.9
351.12292	24.1
353.13815	3.9
363.12122	6.1
365.13968	2.0
367.11826	1.7
367.19131	7.9
369.13440	10.8
377.13580	1.5
381.13367	18.4
383.14960	3.3
399.14304	13.9
434.20963	22.8
435.21951	2.1
447.21603	3.1
475.24762	4.1
487.24811	9.1
505.18246	2.0
505.25958	26.6
505.38766	14.7
523.27100	20.7
523.39563	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	523.1466
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.04593	0.4
53.11401	0.4
55.01864	0.5
61.02926	1.0
66.43810	0.4
69.03426	1.8
69.41831	0.7
69.42242	2.4
73.56170	0.4
81.03426	1.0
85.02917	7.3
94.57554	0.4
97.02905	2.2
97.06434	0.4
99.04468	0.7
109.02878	0.5
121.02950	0.4
127.03940	1.0
135.04498	0.5
136.42184	0.4
145.04991	0.5
147.04475	0.5
161.06036	0.8
165.05533	0.7
169.01338	0.9
169.05025	0.8
183.03050	0.5
212.05312	0.4
231.06516	0.6
233.64706	0.4
286.04660	0.6
287.05511	8.1
302.04266	1.1
303.05051	1.4
313.03183	0.6
315.05020	27.0
316.05215	0.5
317.06473	1.1
330.03705	1.4
330.07333	0.5
331.04425	1.0
342.06311	0.9
343.07486	0.5
345.06030	3.9
345.71579	0.4
346.06873	25.9
355.07071	5.4
356.07959	0.8
357.08612	0.8
361.09216	100.0
362.09525	0.8
373.08218	7.7
374.08560	0.5
381.08725	1.7
385.08240	2.0
395.10309	0.9
399.09717	1.2
403.09354	4.0
413.11224	1.2
421.08487	0.7
427.09256	3.9
439.09317	1.3
451.09302	1.0
457.10513	0.9
469.10541	1.5
487.11459	5.3
505.12457	4.5
523.13641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1816
Annotation	6-Feruloylcatalpol
Peak:m/z	Relative Intensity
53.03933	2.5
55.01879	6.1
57.03439	1.9
57.18851	1.0
58.06608	4.8
58.08186	0.9
59.31415	1.1
61.02907	2.8
64.28168	0.8
65.03933	2.1
67.05502	2.5
67.45078	0.9
69.03437	9.1
69.16873	1.1
70.06598	1.8
71.04990	1.4
71.53191	1.3
72.08154	1.1
73.98878	0.9
77.16557	0.9
80.93077	1.1
81.02992	1.5
81.03429	17.3
81.07042	1.3
84.08147	1.2
85.02912	18.9
85.88806	1.0
86.09669	2.5
91.03988	0.9
91.05470	3.4
93.03420	2.4
93.07063	2.0
94.04176	1.1
95.04960	2.7
97.02886	7.3
99.04471	1.5
103.05471	2.5
105.03376	1.2
105.07077	1.3
107.04936	3.3
107.08591	1.4
109.02880	2.7
109.06513	2.9
111.04448	4.6
115.05467	4.0
117.07046	2.0
119.08567	3.0
120.08117	2.7
122.03638	2.9
123.04440	45.5
125.06010	1.9
127.03957	5.8
128.06255	4.7
129.07022	17.8
131.04904	3.9
133.06537	1.6
135.04375	1.8
137.02361	100.0
137.03412	7.1
137.05986	64.0
139.03917	7.6
143.04938	6.2
145.04971	2.2
145.06464	3.6
147.04442	4.4
147.08031	9.2
149.06006	2.1
149.09558	1.1
151.03920	55.2
151.05016	3.4
153.05486	2.4
155.04970	1.3
157.06502	20.5
159.04451	2.2
159.08124	1.0
160.05223	1.9
160.07607	4.5
161.05962	8.4
161.09630	1.7
163.03882	3.6
163.07529	3.3
165.05493	7.9
171.04474	6.5
173.05986	4.4
174.06749	1.5
175.07571	18.3
176.04646	1.7
177.05495	7.2
177.09047	1.4
181.05043	1.2
187.07549	3.2
189.05487	42.6
189.09084	10.6
191.07054	22.2
191.08626	1.8
192.84981	1.0
201.05457	3.5
203.05316	1.2
203.07056	14.0
205.08609	3.4
207.06503	10.5
215.07056	2.0
219.06445	21.2
219.08215	3.1
219.10159	2.4
221.06046	1.5
221.08043	6.2
233.08069	9.7
235.07469	3.1
237.07422	1.6
244.83469	1.0
247.07587	5.5
249.08946	1.3
251.09221	2.2
252.07753	1.1
253.08733	1.9
263.07007	3.2
264.07822	1.8
265.08578	4.4
270.08569	1.0
271.06052	3.0
272.06747	5.5
275.06970	3.2
277.08655	1.7
279.10245	2.3
280.07361	1.6
281.08044	2.9
282.08887	1.2
283.09604	2.3
285.11346	1.8
292.07217	2.7
293.08081	7.9
294.08914	1.0
295.09634	4.7
295.12732	1.6
297.11020	5.1
298.08438	1.5
307.09647	11.0
310.08487	1.6
313.10690	23.4
325.10724	27.9
327.12335	2.0
329.11188	1.4
331.11954	4.6
341.33188	0.9
343.11789	63.2
345.13486	5.0
361.12854	28.9
361.17157	2.3
445.14270	1.1
450.21228	1.2
475.94653	1.1
491.16571	4.6
505.16449	1.4
523.17950	2.1
523.26398	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09487	0.5
51.22272	0.6
55.01857	0.5
57.03397	0.9
61.41509	0.6
61.58633	0.4
68.32899	0.5
69.80033	3.2
76.64290	0.5
83.63280	0.5
85.02851	1.5
109.02856	0.6
151.03894	0.6
163.03888	0.7
190.96895	0.6
271.08691	1.3
286.07379	2.1
287.08264	0.7
299.08118	1.5
300.09018	1.3
301.09659	1.2
303.07684	1.5
308.09222	0.7
315.07587	1.6
318.06378	1.4
320.09497	0.6
324.08929	1.2
327.07672	4.7
328.08423	2.8
329.09146	8.1
331.07162	17.6
331.11148	0.8
332.07941	3.9
335.08417	0.9
339.07687	2.0
340.08466	0.9
341.09314	1.9
342.06369	14.6
343.07031	3.9
345.05139	10.9
345.08875	1.2
351.07599	1.5
352.08499	2.8
353.09225	5.3
355.07141	83.0
356.07913	13.0
357.04858	0.5
357.08722	11.0
359.06653	4.6
360.07382	3.1
361.08316	7.3
365.09070	1.2
367.06866	2.8
367.10916	1.7
368.07999	0.9
369.08771	5.3
370.09659	0.7
371.06265	0.9
371.10645	2.7
373.08209	100.0
374.08969	6.0
375.09912	1.2
377.09363	4.5
379.07172	1.3
380.08002	2.4
381.08722	21.1
381.13696	1.0
385.08194	28.8
386.09009	1.1
387.05515	0.8
387.10071	3.7
392.07776	0.6
393.08820	2.9
395.10388	14.3
395.15216	1.0
397.08191	4.2
398.08987	1.5
399.04932	1.0
399.09821	15.0
401.07550	1.0
403.09280	56.5
404.09952	0.6
405.08887	1.2
408.07199	0.6
409.08188	7.3
411.09653	1.3
413.11536	16.4
415.09244	2.0
421.08267	8.7
423.09750	4.4
427.09293	52.4
428.09317	0.8
433.09598	1.0
439.09283	18.2
441.10934	4.9
445.10422	1.9
451.09265	11.5
457.10431	13.6
459.12271	0.7
469.10379	22.4
487.03973	1.2
487.11404	68.9
505.12457	72.4
506.13052	0.7
523.13495	7.8
523.20740	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1457
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
55.05499	0.4
57.03425	0.7
58.41926	0.3
61.02926	1.0
63.10892	0.3
65.65893	0.4
69.03436	2.6
69.28207	3.3
70.04511	0.4
73.02912	0.5
75.89895	0.3
78.69839	0.4
81.03415	1.0
85.02443	0.5
85.02911	6.2
85.55325	0.4
95.04998	0.4
97.02908	2.5
99.04479	0.6
109.02879	0.5
121.10095	0.4
121.57598	0.4
123.22486	0.3
127.03926	0.7
135.04478	0.5
145.04953	0.5
151.03944	0.8
151.07585	0.7
161.05925	0.6
165.05508	1.2
167.03435	0.4
169.01410	0.5
169.04964	2.1
183.02905	2.1
195.02902	0.7
198.52342	0.3
231.06575	0.4
245.04527	0.5
257.04605	0.4
285.03870	0.8
287.05463	3.5
301.07126	0.8
302.04230	1.2
302.07877	0.4
303.04996	0.6
313.03439	0.7
315.04959	12.1
317.06586	2.5
328.05814	1.2
329.06570	1.4
330.03693	1.3
330.07230	0.6
331.04388	1.3
345.06052	10.2
346.06854	10.0
354.49075	0.3
355.07065	1.5
361.09180	100.0
362.09631	0.7
373.08124	3.0
399.09985	0.6
403.09082	0.6
413.11093	0.5
421.07999	0.4
427.09421	1.8
439.09396	1.1
451.09805	0.4
469.10056	0.9
487.11255	1.5
505.12503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01867	0.8
57.03438	0.6
61.02918	1.0
69.03431	1.9
69.30375	2.5
71.05013	0.4
81.03412	1.3
81.07047	0.5
85.02912	7.2
91.05461	0.3
93.07066	0.5
95.08644	0.5
97.02896	2.7
105.03375	0.3
105.07062	0.3
107.08637	0.4
109.02869	0.7
119.05050	0.3
119.08662	0.3
121.10128	0.3
127.03905	0.9
135.04442	0.9
139.00304	0.4
145.04938	1.2
148.05142	0.3
151.03909	0.9
151.07539	0.3
161.05981	1.4
163.43193	0.3
165.05519	0.8
169.01321	1.1
169.04999	0.7
177.05452	0.4
183.02858	0.7
187.07553	0.3
195.02846	0.4
207.06566	0.5
213.05675	0.3
217.04947	0.7
231.06512	0.4
257.94635	0.3
286.04706	0.4
287.05511	8.1
302.04178	1.0
303.04828	1.6
313.03433	0.5
315.04987	27.4
316.05634	0.3
317.06418	0.8
327.07590	0.4
329.09427	0.4
330.03714	1.6
331.04407	1.1
331.07471	0.9
332.07986	0.5
342.06375	0.9
345.05917	4.5
346.06845	26.2
353.09094	0.8
355.07135	8.6
356.07922	1.3
357.08752	0.8
359.06833	0.4
360.07602	0.3
361.09186	100.0
362.09174	0.4
367.07199	0.5
371.10236	0.4
373.08228	9.5
373.12973	0.5
374.08841	0.4
377.09424	0.4
381.08713	2.3
385.08209	2.9
395.10287	1.3
399.09659	1.8
403.09290	5.0
409.07959	0.6
413.11554	1.6
421.08163	1.0
423.09476	0.4
427.09283	4.8
439.09186	2.0
441.10629	0.4
445.10681	0.3
451.09088	1.2
457.10049	0.7
469.10406	2.2
487.11407	6.9
505.12506	6.8
523.13800	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85536	0.7
69.81673	3.9
73.11028	0.6
85.02860	0.6
90.97486	0.6
91.05465	1.3
101.61284	0.6
102.33924	0.6
105.07039	0.9
119.04891	0.8
137.06009	0.7
143.03934	0.6
145.02905	0.6
147.04414	1.2
175.03897	2.3
207.06578	3.5
271.08508	1.3
277.06073	1.2
279.81021	0.7
286.07550	1.7
289.13901	0.7
301.09500	0.8
315.07822	3.4
318.06174	2.0
319.07227	1.9
321.10324	0.9
324.09085	0.8
325.09772	1.1
327.07556	3.1
329.09161	4.2
331.07126	6.1
336.08841	1.0
338.06955	0.9
339.07642	2.0
341.09192	2.4
342.06390	5.3
343.07138	4.8
343.10883	2.1
345.05090	6.0
349.09705	0.8
351.07333	0.8
352.08594	3.5
353.09271	6.7
355.07147	65.4
356.07993	3.9
357.08722	12.3
359.06580	2.0
360.07394	2.2
361.08258	4.7
365.09311	1.6
367.07153	1.7
367.11148	1.1
369.04840	1.3
369.08679	4.4
370.09470	2.4
371.10455	7.5
373.08197	100.0
377.09363	3.1
379.07257	1.5
380.08017	1.3
381.08731	19.2
383.06543	1.6
384.07373	0.9
385.08026	7.3
385.12054	1.2
387.05774	1.3
387.10150	0.8
392.07919	1.2
393.08804	4.7
395.10358	9.7
397.08246	5.4
399.09842	31.3
403.09274	20.2
409.08173	3.2
411.09747	2.6
413.11389	21.9
421.08228	11.9
423.09818	5.1
425.07535	1.4
427.09280	54.5
433.08215	1.1
439.09296	39.9
441.10818	6.1
451.09250	17.2
457.10321	13.0
469.10376	38.0
487.11395	50.8
501.82602	0.8
505.12485	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	522.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	1.6
53.03954	8.6
53.72465	1.6
55.01863	3.9
55.05510	12.1
56.15619	1.9
57.03444	2.0
57.07076	3.3
57.38807	1.6
59.05005	5.4
64.91978	1.7
65.03941	7.4
67.05509	46.2
69.03460	2.5
69.07074	12.8
69.46566	3.2
69.46967	10.6
70.06583	3.4
71.04979	5.7
72.70986	1.7
78.04710	2.7
79.05065	3.8
79.05495	42.8
81.03410	4.9
81.06585	4.0
81.07063	68.0
83.04988	18.2
83.08617	4.2
91.05493	41.6
91.06025	3.2
92.06239	1.7
93.07048	100.0
95.04972	25.2
95.08615	31.6
97.06537	11.2
103.05441	2.1
105.04522	2.2
105.07037	24.5
107.04974	7.0
107.08605	96.0
108.05741	2.8
109.06528	31.3
109.10151	21.5
111.04396	2.6
111.08071	2.4
113.14575	1.7
119.08594	5.2
121.10140	21.6
122.10920	13.2
123.08073	6.0
123.11717	24.5
125.09662	1.9
126.10343	1.9
131.08534	2.7
133.10136	12.9
135.08054	2.7
135.10693	4.3
135.11705	82.7
135.12733	4.2
139.11183	13.8
150.10396	5.2
151.11194	41.3
152.11981	3.5
167.10649	3.0
168.11514	4.3
169.02461	2.3
169.12276	6.6
190.55171	1.8
220.85837	2.3
228.13124	2.6
274.31787	1.9
284.45605	1.8
324.96527	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.1
53.03938	7.6
55.01854	6.0
55.05515	17.7
57.03430	2.2
57.07067	3.1
59.05001	4.0
65.03931	4.7
67.05511	58.0
69.03446	2.8
69.06733	1.7
69.07078	21.3
69.73257	9.7
70.57984	1.7
71.04987	5.3
72.31469	1.5
72.54032	1.5
77.03942	2.1
78.22540	2.0
79.05501	49.4
81.03418	4.3
81.06594	3.4
81.07063	67.4
83.04560	2.5
83.04987	30.6
83.08609	3.3
91.05489	39.4
93.07052	100.0
94.04188	2.8
95.04972	30.8
95.08617	34.4
96.08154	2.8
97.06534	11.7
99.04480	1.5
105.04493	3.9
105.07051	23.7
107.04974	3.4
107.08607	69.0
108.05682	3.2
109.05804	3.7
109.06526	48.4
109.09470	2.6
109.10165	26.1
110.07304	2.1
111.04419	4.3
111.08069	3.3
111.11681	1.5
113.06013	2.2
119.06084	3.2
119.08615	2.6
121.06500	2.0
121.10155	24.2
122.10941	4.3
123.08096	9.5
123.11724	36.3
125.05991	5.0
125.09666	2.8
131.08569	3.4
131.55412	1.6
133.10146	13.6
135.11699	67.7
137.08633	1.7
138.12798	2.7
139.11201	39.4
139.13506	4.0
149.09625	2.3
151.11198	40.2
152.12009	9.6
153.12718	2.2
156.13795	2.3
160.07645	3.7
166.73299	1.6
167.10689	1.8
169.12285	11.6
179.10997	1.9
201.10979	1.7
220.23715	2.0
290.17685	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3559
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05504	1.3
56.05030	1.0
57.03431	0.5
57.07074	1.0
58.06597	1.3
60.08168	16.7
64.62266	0.4
67.05507	1.3
69.07063	2.8
70.84042	0.9
71.07374	6.5
81.07051	1.6
83.08624	1.0
86.09708	48.5
93.07047	0.7
95.08598	1.5
97.10157	1.0
98.98466	3.4
104.10747	100.0
107.08632	0.5
107.91833	0.4
109.10172	0.8
121.10158	0.6
125.00009	25.5
135.11679	0.6
135.40503	0.4
163.01540	0.6
173.19696	0.4
184.07346	99.4
199.06320	0.4
258.11017	1.1
339.28979	1.1
364.97751	0.4
445.27472	0.5
504.34491	10.3
522.35590	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.9
53.03930	10.3
54.02878	2.4
55.01862	6.0
55.05513	16.5
57.07064	8.3
58.88270	2.5
59.04999	5.7
65.03944	5.4
67.05186	3.2
67.05512	58.9
69.03440	3.3
69.06728	3.5
69.07071	43.2
70.06582	13.8
71.04991	11.5
71.13811	5.5
79.05493	44.4
81.03407	4.0
81.07064	88.0
83.04975	29.0
83.08630	5.7
91.05482	41.8
93.07047	92.0
95.04975	30.8
95.08626	35.5
97.06532	10.1
99.04461	4.7
100.05295	2.6
105.07040	31.3
107.04917	4.6
107.08598	100.0
108.43800	2.3
109.06536	28.4
109.10152	34.8
111.04432	6.1
111.08102	3.7
113.05993	4.0
117.07062	2.7
119.06081	2.3
119.08572	9.2
121.10145	27.4
122.10909	3.9
123.08054	7.0
123.11713	62.3
125.05929	2.5
125.09638	4.4
131.08537	5.2
133.10150	19.1
134.48950	2.7
135.11693	58.8
137.09590	3.4
139.11183	35.2
145.10187	2.3
147.11696	13.2
149.09630	4.1
151.11191	41.2
152.11948	6.3
153.12730	5.5
156.13857	4.7
156.76610	2.6
167.10712	3.2
169.12247	20.5
209.91058	2.2
225.77007	2.5
244.17007	3.4
262.17697	2.6
282.52997	2.6
522.39441	24.1
522.59882	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	522.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
56.05038	0.6
57.03431	0.2
58.06624	0.4
59.07396	0.2
60.08168	5.8
67.05503	0.2
67.73951	0.1
69.07078	0.3
70.12551	0.3
70.12964	0.4
71.07375	2.7
77.83593	0.1
81.07070	0.3
83.08619	0.4
86.09711	29.7
88.79301	0.2
93.07034	0.2
95.08617	0.3
97.10216	0.1
98.98469	3.0
98.99132	0.2
104.10751	2.9
107.08619	0.3
121.10138	0.2
125.00011	21.0
135.11691	0.2
142.42743	0.1
164.52605	0.1
165.09135	0.3
184.07349	100.0
185.07651	0.2
258.10910	0.2
339.29059	0.2
441.33536	0.4
504.34717	1.1
522.35559	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88999	1.0
51.71328	1.1
52.70641	1.0
53.03951	3.6
55.01871	2.4
55.05509	4.2
57.03443	2.8
58.10802	1.1
65.03935	1.1
67.05495	4.2
69.03436	13.8
69.07085	2.5
70.06606	2.7
70.40684	1.0
71.05000	3.3
71.52440	2.0
75.04481	5.0
79.05504	19.3
79.25089	1.1
81.03422	7.4
81.07066	11.7
83.04980	1.5
85.02913	9.7
85.06551	1.4
87.04494	1.9
87.52775	1.1
88.71307	1.3
91.05489	15.7
93.07057	95.1
95.04983	3.4
95.08613	7.1
97.02919	9.2
97.06536	2.2
99.04468	2.1
103.05446	1.7
105.01893	1.8
105.04511	1.2
105.07047	11.4
107.04956	2.6
107.08613	18.4
109.02892	4.6
109.06495	1.3
109.10179	5.4
111.04458	1.6
111.08049	5.5
117.07046	1.8
119.08609	13.3
121.06523	1.7
121.10159	100.0
123.08075	2.1
123.11710	3.4
124.03958	1.9
127.03886	5.6
127.11230	1.2
128.55844	1.1
129.05495	1.3
131.08592	5.5
131.10689	5.2
133.10115	2.1
135.11739	3.1
137.05984	4.5
138.06422	1.2
139.11197	5.3
145.04922	2.4
147.11711	2.6
149.09630	39.6
151.03920	4.9
151.07550	3.5
152.04306	1.3
161.09605	1.5
166.50513	1.1
167.07083	2.1
167.10693	33.2
181.04944	2.9
187.07625	1.3
191.07043	1.4
203.17976	3.9
219.13802	1.4
221.19052	6.7
239.20149	2.6
256.13370	1.7
275.12823	2.2
283.15396	1.5
293.13986	8.1
311.11337	2.1
311.14917	31.9
355.07257	1.4
383.22955	1.5
405.17715	1.4
509.23123	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
56.05037	0.5
57.03437	0.2
57.07076	0.3
58.06642	0.5
59.07395	0.2
60.04507	0.2
60.08168	6.2
61.25427	0.1
67.05513	0.9
69.07069	0.8
70.06605	0.2
71.07379	2.8
71.52876	0.1
75.41237	0.1
76.19080	0.1
79.05505	0.4
80.03802	0.1
81.07056	1.1
83.08622	0.4
86.09711	29.6
88.03996	1.1
91.05495	0.2
93.07035	1.0
95.08618	1.1
97.10210	0.2
98.98470	3.4
98.99112	0.2
104.10745	2.9
105.07027	0.4
106.05047	0.4
107.08581	0.6
109.10169	0.7
114.24128	0.1
119.08549	0.3
121.10143	0.6
123.11735	0.3
125.00013	20.4
125.09635	0.3
127.11207	0.2
131.08548	0.2
133.10110	0.3
135.11679	0.5
143.10675	0.3
145.10127	0.3
147.11710	0.3
149.13286	0.1
155.01031	0.3
159.11705	0.3
165.09134	0.3
166.02644	0.2
171.11758	0.1
173.02142	0.2
173.13329	0.3
184.07349	100.0
199.14816	0.2
242.04524	0.1
251.35709	0.1
258.11157	0.3
263.23679	0.2
269.55450	0.1
337.27289	1.3
339.28766	0.2
350.27087	0.1
456.46210	0.1
504.34479	1.2
522.35541	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
54.68229	1.0
55.05513	8.3
57.03404	1.1
57.07074	2.0
59.04988	1.3
65.03938	1.3
67.05506	10.1
69.03437	6.6
69.07076	10.3
70.71532	2.4
71.04997	18.5
71.05602	1.1
72.99861	1.3
73.06591	1.2
79.05061	2.1
79.05497	19.9
81.03425	3.8
81.07064	90.3
83.08621	3.8
84.28757	1.1
85.02909	16.9
87.00827	8.4
91.05484	12.7
92.92112	1.1
93.06480	2.4
93.07051	35.0
93.07642	1.9
95.04959	2.4
95.08612	25.0
97.02886	5.6
97.06543	1.7
97.10181	1.6
99.04476	1.4
99.08109	4.0
105.01877	19.2
105.07040	42.6
107.08607	51.4
109.02895	4.2
109.10169	32.7
109.68668	1.0
111.08083	1.5
111.11697	2.0
117.07029	2.7
119.08590	81.8
121.10147	7.4
123.08057	1.2
123.11721	19.9
125.09634	4.3
127.03928	8.2
127.11201	28.3
131.08595	1.4
133.09129	1.8
133.10136	37.5
135.11703	100.0
137.13261	5.3
139.11212	1.7
143.10687	12.9
145.04958	4.3
145.10158	2.9
147.11708	26.5
147.82661	1.1
149.13269	7.5
151.11224	1.5
153.12753	11.2
159.11731	1.9
161.13257	18.2
163.14830	4.6
175.14845	2.5
177.16368	1.3
203.17973	81.0
204.18231	1.5
205.19485	1.1
221.19029	66.0
227.91086	1.0
231.05023	4.0
236.61771	1.1
239.20094	1.5
245.19145	1.1
249.06105	5.1
260.76587	1.1
262.47043	1.2
451.22876	1.7
467.21176	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.05517	11.1
57.03448	5.5
57.03697	1.1
57.07078	1.8
60.08174	2.7
61.40559	1.0
67.05505	23.3
69.07079	14.0
71.07423	1.4
71.53618	1.3
71.54014	1.1
79.05499	7.5
80.23952	1.0
81.07063	22.7
83.04966	1.2
83.08629	7.5
86.09709	10.2
87.10048	2.8
88.04021	5.2
88.08638	1.0
88.24423	1.0
91.05475	4.9
93.07056	8.5
95.08609	18.4
97.06528	2.6
97.10152	1.9
98.98473	5.0
104.10738	3.7
105.07031	4.3
105.11102	1.4
107.08595	5.4
109.10168	6.0
119.08571	2.9
121.10119	2.2
123.11752	2.6
125.00018	4.2
133.10175	2.4
135.11691	1.2
147.11714	2.4
155.01157	1.1
160.14220	1.1
175.14882	1.8
184.07349	24.3
185.07692	9.2
186.07820	6.7
191.07082	4.6
192.07393	3.1
213.23477	1.1
268.90631	1.1
337.27383	100.0
338.28317	1.4
367.08899	1.2
483.59549	1.5
522.26929	1.3
522.34729	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01855	0.4
55.05518	10.9
57.03192	0.6
57.03444	5.7
57.07070	2.0
60.08156	1.9
65.03933	0.7
67.05511	25.5
69.07075	13.7
70.02958	0.5
70.83125	0.9
71.04989	0.8
71.07371	0.6
71.08633	0.6
74.36900	0.5
75.04469	0.3
79.05501	7.0
81.07064	23.5
83.04972	0.6
83.08154	0.5
83.08626	7.6
85.06519	0.9
86.09713	4.2
87.10030	1.4
87.86884	0.4
88.03490	0.6
88.03997	5.7
91.05485	4.0
93.07053	6.8
95.04974	0.4
95.08617	17.9
97.06535	1.6
97.10181	3.1
98.98476	5.0
99.08114	0.7
104.10748	6.7
105.07047	2.5
105.11074	2.4
105.38769	0.4
106.05017	1.7
106.11367	0.5
107.08609	3.8
109.10170	7.0
111.08073	0.5
111.11710	0.4
119.08607	2.5
121.10152	2.8
123.11721	2.3
125.00023	2.8
125.09655	0.7
133.10133	3.1
135.11682	1.0
137.09615	0.5
137.13237	1.1
147.11681	1.4
149.02377	1.0
149.13293	0.7
153.12791	0.5
155.01036	0.8
155.41133	0.3
158.24022	0.4
161.13283	1.4
163.14836	0.8
168.21309	0.4
173.02161	1.1
175.14790	0.7
184.07344	6.8
185.07808	1.9
186.07765	2.0
193.05080	1.0
245.22678	0.7
260.05594	0.4
263.23776	1.6
294.21347	0.4
337.27393	100.0
338.27750	1.1
350.26843	2.1
455.89786	0.4
504.33777	0.6
522.34100	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	522.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02119	0.9
55.01871	1.4
55.05513	5.8
56.05027	1.3
57.03434	1.2
57.98795	1.7
58.99591	23.5
61.01151	1.2
67.05500	11.0
68.02971	1.0
68.14346	1.1
68.37775	1.0
69.07080	7.8
69.91593	1.0
70.06575	2.7
70.49922	1.0
70.96588	1.1
70.96903	1.8
71.04995	3.7
73.01140	1.4
76.02238	16.8
76.04026	5.1
79.05504	6.2
81.07064	26.9
83.04974	1.6
83.06104	3.3
83.08619	7.7
84.04512	10.6
85.02912	1.5
85.06554	4.9
86.99063	14.0
87.02700	2.1
88.02229	5.4
91.05496	9.0
93.07063	9.2
95.08614	32.7
97.02889	1.1
97.06540	8.4
97.10145	2.9
99.05596	2.4
99.08112	3.4
105.07045	10.2
107.08596	4.9
109.06481	1.2
109.10144	4.2
111.02680	2.9
111.08075	2.6
113.04288	1.5
113.09621	1.4
116.01688	69.2
119.08582	16.4
121.06556	1.1
121.10152	4.3
123.08054	3.8
129.06577	5.2
130.05031	4.0
133.10133	13.0
135.11693	7.2
137.04146	1.2
137.05905	1.4
137.09625	1.9
137.13272	5.4
141.09111	1.6
142.03236	7.7
144.01160	31.4
145.06082	2.7
147.11604	1.1
154.05017	1.9
161.13277	27.4
162.02214	100.0
163.07570	1.3
170.02698	2.0
175.14856	5.9
179.04842	2.4
179.14339	21.4
187.05304	1.2
197.15396	23.1
211.16983	1.6
215.16431	7.2
229.12460	1.1
237.13002	1.5
245.06000	2.4
246.39046	0.9
254.15739	0.9
255.14215	8.3
272.16733	3.2
273.15222	23.6
290.17819	3.5
296.89600	1.1
299.40656	1.0
300.16333	2.7
340.15897	2.2
358.16864	12.1
376.17911	26.1
386.66544	1.1
393.20544	58.7
396.10898	1.0
414.59021	1.2
429.20728	1.2
447.21652	18.6
504.23453	2.1
522.24890	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	522.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13699	0.4
53.03961	0.4
57.03425	0.4
60.51418	0.3
69.03429	1.0
69.07063	0.4
69.85732	0.8
69.86139	1.2
70.06610	0.4
71.47553	0.4
72.08158	0.4
79.05482	0.5
80.58185	0.3
81.03420	0.7
81.07058	1.1
85.02930	2.1
91.05479	1.9
93.07051	0.4
94.04195	1.2
95.04942	0.4
95.08607	0.5
97.02911	0.4
97.06543	0.6
103.05467	1.1
105.07032	1.0
107.04994	0.6
107.08619	0.7
109.06512	1.1
115.05439	1.0
117.07037	1.6
119.04972	0.5
119.08572	0.8
121.06525	0.7
122.03661	4.3
123.11748	0.5
129.07007	1.7
130.32014	0.4
131.04942	1.0
133.06558	0.5
134.07335	0.4
134.54076	0.3
135.04414	0.4
137.05988	100.0
138.06290	0.6
145.06525	0.4
146.03568	0.4
147.04443	1.1
147.11618	0.3
148.05202	1.0
149.05989	0.6
149.09628	0.6
151.03986	0.5
151.07562	1.4
157.06502	2.1
159.08099	0.6
161.05995	4.6
161.09616	1.1
163.07500	1.8
169.06525	1.5
173.05968	0.6
174.06889	0.5
175.07536	1.2
177.09119	10.4
179.07054	1.1
189.09140	4.5
191.10718	0.6
197.05977	2.1
201.09123	1.0
207.04459	1.6
209.06055	0.7
211.07600	1.7
215.17587	0.4
219.09982	0.7
221.05951	0.7
223.07639	0.4
224.08414	0.5
225.05504	2.0
229.08632	1.1
237.05492	0.5
239.06929	2.2
240.07896	1.2
241.08592	0.4
249.09212	0.5
252.07994	0.7
253.12100	0.4
257.08026	1.6
259.09543	0.6
261.09048	0.5
269.08127	1.8
271.09695	0.5
272.10449	23.8
278.09549	0.4
281.11600	0.6
284.10342	2.6
293.11728	2.6
311.12994	0.7
313.14359	24.4
325.14365	18.3
343.15302	2.4
355.15469	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.2
55.01868	2.1
55.05518	24.0
57.03164	0.8
57.03445	15.2
57.07077	10.8
65.03938	1.0
67.05180	1.0
67.05514	13.7
69.03432	2.0
69.07076	27.0
69.15699	0.6
71.04980	1.3
71.08646	6.2
71.53075	0.7
72.69565	0.7
79.05505	12.1
81.03426	77.4
81.07068	14.3
81.90485	0.6
83.04995	5.7
83.08627	32.4
85.02914	1.7
85.10174	2.6
88.78315	0.7
91.04979	1.3
91.05491	15.8
93.07053	10.1
93.45002	0.7
95.04983	18.7
95.08604	7.4
97.02908	2.6
97.06554	3.2
97.10186	14.0
105.06386	1.2
105.07040	13.0
107.04978	5.7
107.08588	3.7
109.06522	2.6
109.10158	2.7
109.15573	0.7
111.04456	1.6
111.08109	5.5
111.11697	3.3
115.05405	1.6
117.07017	2.1
119.04961	0.7
119.08607	10.1
121.06510	1.6
121.10175	7.9
123.04415	0.9
123.08085	1.6
123.11683	1.4
125.09627	1.1
125.13284	1.5
129.07027	7.6
131.08577	7.1
133.06487	2.7
133.10138	3.7
135.11714	2.6
137.09605	1.2
142.07790	1.3
145.10098	1.3
146.08090	0.7
147.08051	2.7
147.11729	5.5
149.09631	4.2
149.13249	0.9
157.10141	8.2
163.11194	1.6
165.12663	1.3
175.11214	7.5
178.40358	0.7
191.10745	0.8
193.12270	37.7
210.82564	0.7
211.13248	4.0
219.21188	0.9
227.12732	1.1
237.22202	1.7
249.14876	2.8
265.14276	0.7
267.15945	100.0
304.88861	0.7
311.25830	57.4
313.27374	1.0
429.33612	2.4
503.37384	32.3
521.38232	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	521.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.2
55.01882	1.9
55.05516	27.1
55.15151	0.6
57.03445	14.5
57.07084	12.3
59.76728	0.6
65.03937	0.8
67.05512	15.6
69.03431	2.3
69.07074	27.9
71.01429	2.0
71.04988	1.8
71.08636	8.2
72.41802	0.6
77.24875	0.7
77.60885	0.6
79.05499	15.3
80.24563	0.5
81.03425	83.8
81.07064	16.0
83.04993	6.5
83.08624	35.9
85.06570	1.2
85.10193	3.2
91.04919	0.7
91.05489	16.9
93.07051	13.5
95.04975	22.3
95.08048	1.2
95.08608	11.8
97.02919	2.7
97.06548	3.3
97.10182	16.5
99.08136	0.6
105.04531	0.6
105.07040	11.4
107.04969	6.9
107.08611	7.4
109.06517	3.0
109.10179	3.7
111.04444	1.6
111.08095	6.5
111.11737	3.9
115.05458	1.2
117.07034	1.8
119.08592	11.8
121.06507	2.4
121.10162	8.3
123.04462	0.9
123.08069	1.3
123.11701	1.3
125.09654	1.0
125.13254	0.9
129.07005	7.6
131.08588	7.3
133.06508	2.2
133.10121	4.0
134.81389	0.9
135.08125	0.7
135.11696	7.4
137.09621	1.3
142.07788	2.4
143.33354	0.7
145.10114	3.5
147.08037	3.0
147.11694	6.5
149.09639	4.6
149.13252	0.6
153.12779	0.8
153.36287	0.6
157.10164	6.6
159.07974	0.7
163.11195	6.5
165.12798	2.5
175.11188	7.8
177.50793	0.6
181.12299	1.6
184.43346	0.7
193.12259	40.3
205.12271	0.7
209.11795	0.7
211.13303	3.3
225.80939	0.8
227.12784	11.9
237.22115	1.4
249.14951	2.5
267.15939	100.0
311.25830	63.0
429.33603	2.9
503.37366	31.7
521.26367	0.9
521.38489	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	521.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	4.0
53.04658	0.8
53.37038	0.8
55.01875	1.3
55.05517	25.4
57.03443	14.5
57.07080	10.7
57.17720	0.7
59.04992	0.9
63.08191	0.8
67.05511	14.5
69.03433	2.2
69.07074	27.1
70.10976	3.3
71.04977	1.3
71.08643	6.0
71.59307	0.7
79.05506	13.3
81.03425	73.0
81.07066	14.5
83.04974	4.2
83.08626	33.1
85.02930	1.2
85.10200	2.8
91.05487	14.9
93.07053	9.1
95.04977	18.6
95.08616	7.3
97.02904	2.3
97.06550	2.7
97.10183	16.8
99.08140	0.8
105.07028	11.2
107.04957	5.2
107.08636	6.3
109.06532	3.3
109.10172	2.6
111.04451	2.0
111.08085	5.0
111.11730	3.6
117.07027	1.9
119.08611	9.8
121.06554	2.1
121.10159	6.8
123.08100	2.0
123.11681	1.4
125.13287	1.0
129.07034	7.6
131.08594	6.6
133.06503	2.9
133.10143	3.7
135.11707	2.6
137.09645	1.0
142.07764	2.7
145.10138	1.9
147.08090	3.3
147.11684	5.7
149.09625	4.6
157.10149	7.3
163.11172	2.0
165.12834	1.4
175.11177	7.3
193.12257	37.8
199.06857	1.0
209.11891	1.1
211.13374	3.9
227.12819	2.0
237.22087	1.8
249.14864	3.8
267.15936	100.0
307.72073	1.0
311.25830	61.1
429.34045	1.9
453.07950	0.9
503.37390	33.7
521.38409	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53311	3.8
71.53661	3.3
81.07053	3.5
82.65251	2.6
93.07061	2.3
95.08639	2.6
107.44429	2.2
119.08665	2.4
121.10169	3.1
128.44252	2.0
135.72105	2.3
195.00380	3.5
217.04794	8.5
232.07088	100.0
233.07872	27.8
233.36116	2.0
273.09726	4.9
311.23462	75.0
378.43127	2.3
384.19107	30.3
390.39008	2.7
405.99069	2.3
521.32434	70.6
521.39825	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	521.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.1
53.03944	1.6
55.05509	4.2
57.07081	1.4
65.04002	1.1
67.05502	4.6
69.07070	12.3
78.04728	2.0
79.05501	9.5
81.07074	14.7
81.71455	1.0
83.08620	1.8
86.09721	1.7
88.43456	1.0
91.05475	4.9
93.07059	3.1
95.04957	1.1
95.08601	7.1
97.10168	1.4
100.49129	1.1
103.05471	2.5
104.10738	2.2
105.07043	11.9
106.04230	1.1
107.04964	17.2
107.08605	3.0
109.10174	5.2
111.11714	1.2
115.05463	10.1
116.06267	1.3
117.07032	6.1
118.04243	1.4
119.08594	3.3
121.06519	4.3
121.10110	2.1
123.04444	4.8
123.11706	3.8
124.05223	3.6
124.99957	1.5
125.06007	2.9
128.06232	3.5
129.07004	3.8
131.04965	3.0
131.08560	3.0
132.05701	1.5
133.06508	10.9
135.11731	1.5
137.13272	2.8
141.07010	2.3
143.04950	2.1
143.08588	1.5
144.05704	4.1
145.06529	5.6
145.10136	1.3
147.08035	4.0
152.04668	1.9
153.07022	1.8
155.06081	1.3
155.08501	1.4
156.05650	2.5
157.06512	3.0
158.07300	2.1
159.08055	4.2
161.05994	13.7
161.13278	1.0
167.07056	100.0
169.10229	1.1
170.07289	1.5
171.08080	3.2
172.05269	2.2
173.06003	7.6
173.09569	1.9
174.06798	1.4
175.07552	7.9
178.06273	1.4
179.08511	1.6
181.08604	13.6
183.08150	1.6
184.07352	2.5
185.09714	1.3
186.06810	1.4
187.07581	8.3
189.09169	4.4
190.06163	1.8
191.07014	5.1
192.07814	4.3
193.08643	20.3
195.10155	1.1
197.09717	1.7
199.07539	1.7
200.08336	1.2
201.09183	2.7
203.06961	1.1
204.07770	1.6
205.08611	28.3
206.09338	1.7
207.10204	18.2
213.09077	2.0
215.10773	2.9
217.08601	12.1
219.10168	20.4
221.11760	4.8
225.09120	1.9
227.10655	3.5
231.08063	2.2
231.10123	10.3
233.11752	10.6
241.12328	1.8
245.11739	3.8
247.07555	1.6
247.13345	11.7
257.11768	3.2
258.12411	1.6
259.13284	3.0
261.15045	1.7
270.20187	1.0
271.17099	1.2
273.14902	2.9
277.08429	1.6
287.16391	2.0
301.17841	3.0
303.19586	21.7
315.19412	3.0
329.21280	5.5
341.21075	1.5
345.13379	2.1
351.12402	2.6
353.13763	2.4
367.22610	2.1
369.13464	1.5
383.14810	3.6
385.16370	4.6
397.16220	2.9
489.26389	3.7
521.29004	24.0
521.36359	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	521.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53940	0.5
53.03944	0.6
57.32547	0.4
58.05033	0.5
70.76329	0.9
77.03951	0.6
79.05473	0.4
79.48163	0.4
85.02921	2.2
91.05495	1.6
97.02900	0.7
103.05479	49.7
105.07047	2.8
111.99063	0.4
115.05472	0.9
119.04974	2.7
122.03647	0.4
131.04942	100.0
133.06508	1.5
137.05991	14.7
137.17299	0.4
147.04431	2.2
151.07506	0.6
161.06015	4.7
163.07559	38.0
175.07620	1.2
179.07072	3.0
181.08696	0.5
187.07594	0.5
187.44519	0.4
205.20107	0.5
277.13333	0.5
311.12515	0.6
521.19055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06625	0.6
66.35578	0.8
68.79214	0.7
69.20660	6.0
77.05713	0.6
82.66491	0.6
87.86343	0.6
90.48045	0.6
93.14599	0.7
101.30282	0.6
115.05440	0.9
117.07033	1.1
118.06558	18.8
129.31050	0.6
130.06522	2.1
132.08102	5.3
142.06537	2.1
143.07301	2.8
144.04402	0.8
144.08090	12.8
146.06024	66.2
151.72061	0.7
159.09203	6.2
159.48277	0.8
160.07602	1.3
163.03903	1.5
170.06085	4.0
188.07086	100.0
196.01366	0.6
205.09750	53.6
254.10323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
57.03442	0.5
58.22678	0.3
61.02915	0.4
69.03449	0.5
69.92606	1.6
70.06588	0.8
73.14949	0.4
77.03922	0.5
79.05499	0.6
81.03441	0.4
85.02914	1.4
86.36913	0.3
91.05471	1.3
95.04995	0.9
98.20850	0.6
103.05477	51.7
105.07043	4.8
107.04982	0.5
115.05457	1.0
117.07079	0.4
119.04966	1.2
122.03651	0.8
129.07025	0.5
131.04939	100.0
133.06480	3.7
137.05991	11.0
147.04416	1.5
149.06036	0.5
151.07573	0.6
157.06557	0.7
159.08072	0.7
161.06000	11.0
163.07555	26.4
175.07541	2.8
179.07069	1.1
187.07564	3.2
189.09117	1.6
191.08675	0.4
191.80501	0.3
201.09129	0.4
217.08665	0.7
219.08232	0.7
219.10176	2.0
247.07506	0.5
251.10571	0.5
271.09628	0.7
291.10123	1.3
310.12366	0.4
311.12790	2.1
323.12704	1.3
341.13843	1.9
359.15759	0.4
394.59784	0.4
524.52838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
54.14856	0.3
55.01856	1.5
58.06598	2.1
65.03899	0.5
68.99777	0.5
69.03430	2.6
69.19207	2.1
69.19638	1.6
70.06582	0.9
73.02891	0.7
78.03454	4.5
80.05000	0.5
81.03420	4.4
81.07056	0.5
82.06574	3.0
84.08132	3.0
85.02939	1.8
87.04430	0.6
88.03987	4.8
91.05460	0.4
93.03383	0.7
93.07028	0.6
96.04445	0.4
97.02862	1.6
99.04426	0.6
103.05462	0.9
105.07006	0.7
106.02254	0.7
106.02917	12.2
109.02872	2.0
110.98048	0.4
111.00761	0.7
117.18938	0.3
119.04865	0.4
121.02863	6.0
123.04433	2.3
124.03954	12.5
124.07587	2.6
124.81974	0.4
127.03888	1.5
128.07077	30.9
131.04910	1.3
133.06445	0.8
137.05956	0.6
139.03908	10.0
149.05968	2.0
151.03903	4.0
151.07527	2.1
153.04333	0.6
153.05473	5.6
155.03375	1.7
160.07545	1.0
161.05965	3.1
163.03905	10.8
166.08592	0.8
167.07008	0.4
177.05457	6.5
179.07024	7.4
181.04938	0.4
192.10199	2.1
205.04955	5.2
208.09703	10.8
210.11366	0.6
223.05994	8.6
250.07172	1.2
254.10233	100.0
255.10641	0.6
259.52359	0.4
268.08182	1.0
326.36145	0.6
461.11206	0.8
521.17670	29.1
521.25122	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64194	10.0
55.05496	29.9
57.03440	16.5
57.07052	12.6
60.47870	9.8
67.05497	38.0
68.13838	9.9
69.07058	32.2
70.66644	8.9
71.04993	13.2
71.08627	12.8
71.45574	10.6
71.53057	14.2
73.23851	8.9
78.30703	9.7
79.05489	40.3
81.03403	28.4
81.07072	100.0
81.43521	10.1
83.08614	39.5
91.05486	39.3
91.41267	11.5
93.07062	79.8
94.52036	9.0
95.04977	18.6
95.08606	43.0
103.10839	10.3
105.07051	55.2
107.08602	83.7
109.06573	14.3
109.10146	43.1
116.46880	9.2
119.08607	48.6
121.10126	40.5
123.11681	19.8
127.11233	11.1
130.75923	10.0
131.08549	16.4
133.10150	26.4
135.11729	52.7
145.10095	30.0
147.11679	35.3
149.13213	10.0
153.12753	18.5
157.10202	12.5
159.11697	26.1
161.13228	18.1
173.13200	11.0
175.14735	13.0
184.07314	20.0
184.18394	12.7
193.12161	15.1
224.48840	9.8
227.12712	13.0
267.16037	29.7
275.51584	11.3
311.25775	23.2
342.80945	11.3
377.81079	9.7
460.18161	12.8
520.35815	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05032	0.7
57.03437	0.2
58.06632	0.3
59.07396	0.2
60.08167	6.3
67.05505	0.5
67.05821	0.1
69.07076	0.3
69.81073	0.4
70.06596	0.1
71.07377	2.8
71.25416	0.1
79.05503	0.2
81.07071	0.5
83.08638	0.2
86.09710	31.0
91.05489	0.2
93.07023	0.1
95.08617	0.3
98.98473	3.3
104.10750	2.9
104.11293	0.1
106.14285	0.1
109.10127	0.1
125.00013	21.5
143.01088	0.1
147.12773	0.1
157.31689	0.1
167.32388	0.1
183.79045	0.1
184.07350	100.0
185.07727	0.2
205.45764	0.1
206.82269	0.1
224.45685	0.1
227.84326	0.1
258.11084	0.2
296.53433	0.1
337.27264	0.2
502.33066	1.0
520.34009	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3405
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05511	1.2
56.05043	1.3
57.03419	0.5
57.27884	0.2
58.06580	1.4
59.07383	0.3
59.93867	0.2
60.08170	18.4
65.03933	0.2
67.05506	3.1
69.07080	1.2
70.06600	0.4
70.18125	0.4
70.18460	0.4
70.33711	0.3
71.06984	0.4
71.07381	7.0
79.05502	0.9
81.07068	2.9
83.08617	0.4
86.09713	53.9
91.05498	0.4
91.54182	0.2
93.07064	0.5
95.08627	2.1
98.98477	4.3
104.10754	99.7
105.07037	0.3
107.08613	0.4
109.10175	0.6
119.08593	0.4
123.11749	0.3
125.00018	30.9
135.11641	0.3
163.01543	0.6
181.02698	0.3
184.07358	100.0
231.20897	0.3
258.08676	0.2
258.11005	1.2
296.52231	0.2
323.58282	0.2
324.80466	0.2
337.27521	0.7
363.42752	0.2
502.32983	8.9
520.34027	38.8
521.34283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.7
55.01871	12.3
55.05498	15.0
55.84935	4.2
56.65407	4.4
57.03447	6.3
57.07055	3.9
58.06599	3.7
60.43228	4.0
60.61620	3.5
67.05514	31.1
69.03429	28.4
69.07071	22.1
70.06586	17.2
70.20795	5.1
71.04991	5.8
71.28933	8.5
72.08175	5.4
77.03909	5.3
77.53640	3.8
79.05499	33.2
81.03418	21.3
81.07064	82.6
83.04967	8.7
83.08619	8.0
84.08142	11.9
85.02926	41.8
85.06547	14.5
86.09686	7.7
87.00826	17.9
91.05486	45.3
93.07055	69.0
94.04201	4.6
95.04988	10.3
95.08621	48.2
96.05584	3.8
97.02899	22.3
97.06541	24.0
97.10167	4.6
99.04479	9.5
103.05470	5.8
105.01888	27.5
105.06398	6.5
105.07043	74.5
106.95791	3.7
107.08599	54.6
109.02882	11.5
109.06509	15.6
109.10175	55.2
111.08084	12.8
116.07085	10.5
117.07039	7.4
119.08611	53.0
121.06554	4.8
121.10146	38.9
123.08027	8.8
123.11731	11.0
123.13638	4.4
125.06041	4.9
125.09624	7.3
127.03910	26.0
128.06210	5.7
129.07021	5.6
131.04936	5.9
131.08595	29.0
133.10164	33.7
135.08052	15.2
135.11693	28.9
137.05991	68.6
137.09641	12.7
138.06322	25.1
145.04962	12.0
145.06485	5.3
145.10136	57.2
147.04366	4.4
147.11713	33.4
149.02365	4.2
149.09666	8.1
149.13243	8.7
151.03844	6.2
151.07573	15.7
151.11183	12.8
155.10681	7.9
157.10243	4.7
159.08116	4.9
159.11690	38.7
161.06039	7.4
161.09612	6.7
161.13257	33.1
163.07555	5.2
163.11177	24.1
165.05502	7.9
173.13210	13.0
175.07469	6.4
175.14844	11.4
177.05424	6.2
177.12726	5.7
187.07521	4.6
188.08121	5.3
189.09129	9.8
191.10689	4.5
191.14328	14.9
191.17964	12.9
201.16408	60.3
203.06886	4.8
203.10657	5.6
204.81805	3.8
209.15274	7.1
219.17470	100.0
227.16283	6.7
231.04974	11.7
232.66273	4.3
236.08026	6.1
237.18373	6.3
248.08067	12.1
249.06091	4.6
250.09428	5.8
259.10004	7.3
262.09409	9.9
263.06937	4.4
264.07443	6.4
265.08142	5.8
275.06714	5.7
277.08401	6.8
278.09186	6.2
279.09921	5.4
290.08932	6.4
291.10080	6.5
296.10132	4.8
307.09546	12.1
308.09949	18.1
310.11572	5.6
316.59839	4.2
321.11325	8.8
322.11591	23.0
324.12897	4.9
327.12054	5.8
328.12537	19.1
340.12546	20.9
340.35867	3.9
358.13486	10.2
367.13809	4.6
502.14648	7.2
520.15790	7.0
520.22638	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	520.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
53.87153	2.8
55.01859	6.8
55.05508	13.8
56.96559	3.6
59.05004	5.0
61.02922	3.1
67.05508	23.0
69.03430	15.4
69.07064	14.8
70.06594	8.3
70.82516	5.0
70.82829	3.8
71.04996	22.2
72.08144	2.9
79.05499	32.2
81.03413	11.0
81.07064	88.5
83.04988	6.9
83.08614	7.6
85.02898	26.4
85.06560	14.3
86.09704	3.8
87.00832	13.0
87.04427	3.6
91.05482	34.2
92.60227	3.4
93.06491	4.3
93.07053	57.3
95.04971	10.0
95.08603	33.8
97.02892	20.3
97.06532	21.2
98.97596	5.0
99.04477	7.0
99.08095	12.9
104.07109	3.0
105.01881	15.9
105.07037	86.9
107.08604	51.1
109.02872	7.5
109.06516	6.8
109.10165	26.4
111.08101	5.7
115.03977	3.1
115.05487	3.8
117.07051	5.8
119.08589	38.0
121.10147	34.1
122.03695	3.9
123.08050	5.5
123.11732	14.4
125.09644	34.0
127.03915	13.7
127.07562	9.4
127.11205	9.9
131.08614	22.4
133.10139	100.0
135.04372	4.1
135.11710	18.8
137.05991	25.2
137.09665	4.9
138.06358	5.1
139.11188	5.9
141.09082	3.5
143.08609	3.3
143.09622	5.2
143.10684	82.6
145.04898	7.1
145.10146	33.8
145.76082	3.0
147.11685	31.4
149.13297	14.5
151.11188	7.5
155.10666	6.9
159.11719	31.0
161.13268	22.8
163.03928	10.2
163.11200	6.7
163.14751	3.4
167.14342	14.2
169.12309	4.9
173.02386	3.7
173.13280	6.0
175.07584	7.2
175.14862	6.0
177.12675	3.7
179.14333	8.6
191.17999	4.6
201.16411	29.3
215.07077	6.2
219.14171	3.2
219.17467	79.4
231.05038	4.8
237.18527	18.9
249.06114	4.0
250.61726	3.5
259.09735	11.4
265.42239	2.8
271.06046	29.7
272.06342	33.1
363.25668	3.8
466.33850	3.2
466.47379	3.2
520.21320	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	520.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.05278	0.5
55.05521	7.6
57.03445	5.9
57.07082	1.1
60.04536	0.9
60.08167	1.6
62.55688	0.4
64.29424	0.4
65.03944	1.6
67.05511	28.0
69.07078	6.2
69.85933	1.9
71.05002	0.8
71.07381	0.7
79.05502	13.4
81.07066	23.9
83.04989	1.0
83.08628	3.0
86.09718	4.9
87.10055	1.6
88.04002	5.2
91.05494	6.3
93.07058	15.1
95.04986	1.7
95.08614	18.5
97.06534	1.2
97.10175	1.0
98.90288	0.4
98.98479	5.5
104.10748	7.9
105.04517	0.7
105.07043	4.5
105.11071	2.3
106.05042	1.6
106.11249	0.4
107.08607	6.8
109.06509	0.6
109.10168	6.7
109.84622	0.4
111.08093	0.8
117.07030	1.7
119.08598	3.4
121.10159	5.8
123.11711	2.3
125.00034	3.4
126.00303	0.5
127.00541	0.5
131.08597	2.8
133.10159	2.3
135.11711	3.2
137.13234	0.5
145.10168	2.0
147.11726	0.8
149.13246	0.9
151.07501	0.6
155.01112	0.7
159.11714	0.9
161.13283	1.2
173.02165	1.2
173.13229	1.1
184.07364	7.7
185.07718	2.8
186.07840	1.4
249.13110	0.4
260.05344	0.7
261.22192	1.4
317.11472	0.4
335.25827	100.0
336.26071	0.6
348.25305	1.6
409.17697	0.4
502.31656	0.7
520.33118	4.7
521.25159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.05521	7.6
57.03443	6.9
65.03941	1.1
67.05511	30.0
69.06760	0.8
69.07071	6.8
71.52309	1.0
72.08167	1.3
79.05504	14.1
81.06589	1.5
81.07067	23.7
83.04987	1.6
83.08621	2.7
86.09682	2.0
88.04001	5.1
91.05482	6.5
93.07052	15.9
95.04959	1.6
95.08620	20.1
97.10175	0.9
98.98466	5.8
105.07056	5.7
106.05022	0.9
107.08613	7.6
109.10155	7.7
111.08101	0.9
117.07032	1.2
118.08951	0.7
119.08594	3.8
121.10171	5.1
123.11694	1.5
125.00093	1.1
131.08577	2.8
133.10115	2.4
135.11731	3.4
137.13312	0.8
145.10124	1.7
147.11716	1.4
149.13292	1.2
151.07594	1.0
159.11673	1.3
161.13220	0.9
173.02151	1.3
173.13324	1.0
179.00249	0.7
184.07333	5.1
185.07669	1.6
215.40402	0.7
243.20879	0.7
261.22314	1.0
263.05807	1.2
297.83063	0.7
312.88263	0.7
335.25827	100.0
336.26233	1.1
348.25272	1.5
400.08020	0.8
404.12830	0.8
415.10718	3.5
433.11792	1.5
501.97955	0.8
520.25336	0.9
544.06500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
57.03438	0.6
58.06590	0.5
61.02907	0.6
65.03945	0.5
69.03436	1.4
69.73886	0.3
70.06610	0.3
70.69763	0.3
70.70131	0.8
72.90084	0.2
75.77882	0.3
78.04704	0.4
81.03423	0.8
81.07063	0.4
82.06593	0.3
85.02908	3.3
87.04441	0.3
89.03915	4.0
91.04917	0.3
91.05482	5.3
93.07037	0.7
95.04975	1.2
97.02894	1.5
107.08596	0.3
109.02899	0.3
117.03390	15.4
119.04947	4.3
121.10163	0.5
127.03930	1.1
128.07059	1.1
134.03632	0.6
135.04424	0.9
136.05199	0.8
137.06009	0.5
145.02853	52.8
147.04439	1.0
149.05989	5.9
149.07137	0.4
149.09602	0.2
151.03943	0.6
151.07552	16.6
161.05978	0.3
163.03934	0.7
167.03574	0.3
177.05481	100.0
178.05850	0.5
182.11777	8.8
186.05531	0.9
189.77969	0.3
208.09673	0.4
266.64114	0.3
289.21979	0.3
344.16980	0.4
358.16510	51.3
359.16815	0.4
520.21826	1.8
524.42932	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46501	0.9
52.31563	0.8
53.03943	1.0
55.05516	6.4
62.65786	0.7
67.05508	14.4
69.07074	8.6
69.95381	1.8
69.95789	2.4
71.04990	1.0
76.26962	0.8
79.05496	19.5
80.26396	0.8
81.07060	17.9
82.62641	0.9
83.04999	0.7
83.08608	3.6
84.08085	1.3
85.06495	0.8
86.95658	0.8
87.02682	0.9
87.92037	0.8
91.04962	1.5
91.05482	13.3
93.07056	30.2
95.04969	1.9
95.08624	13.4
97.01102	1.5
97.06509	1.6
97.10162	2.7
105.07040	9.2
107.08605	23.7
109.06555	1.1
109.10152	6.1
111.02639	1.6
117.07011	3.2
119.08575	9.0
121.10144	10.6
123.02686	1.0
123.11695	1.1
125.04247	1.0
125.09621	1.0
129.07045	1.3
131.08540	5.5
133.10141	6.5
135.02623	0.8
135.11697	17.1
139.05753	1.5
143.08572	2.2
145.10115	4.3
147.11684	8.3
149.09639	1.1
149.13263	10.4
157.10136	2.5
159.11707	3.6
161.13321	4.2
163.02078	0.9
163.14813	2.9
169.10179	0.8
171.11696	2.9
173.13268	2.5
175.14783	2.5
181.12343	1.1
185.13248	2.2
189.12817	1.1
195.13879	1.5
197.13239	1.1
199.14822	0.9
207.13821	2.0
221.15492	1.9
223.11377	1.2
231.17447	1.3
235.16876	1.9
241.19539	3.0
257.18939	1.5
259.20630	6.0
275.20081	5.2
277.21643	100.0
278.22055	1.0
285.29022	0.8
291.17783	7.7
295.22723	2.3
309.18826	20.3
327.17953	1.0
363.19983	2.2
381.20941	11.4
399.21982	3.9
485.21918	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.0
53.17834	1.4
54.21859	1.4
55.01846	6.0
55.05518	32.0
57.07082	15.9
65.03922	3.5
67.05509	26.9
69.07069	27.5
70.08525	3.6
70.08910	4.7
71.08631	9.3
72.09815	1.8
73.02891	1.9
79.05497	27.7
81.03386	3.4
81.07063	25.3
83.04942	3.8
83.08629	25.1
85.10145	5.0
91.05487	16.0
93.07043	41.6
95.04986	9.8
95.08619	35.9
97.02850	3.1
97.06499	3.1
97.10173	11.5
98.20811	2.7
99.04458	2.4
105.07046	12.0
106.80720	1.6
107.04893	7.5
107.08604	23.2
109.10121	4.4
111.11683	3.2
117.06945	7.3
119.08585	12.1
121.06446	4.2
121.10123	9.7
123.11633	2.5
129.06976	2.0
133.10072	3.5
135.11696	39.0
143.08484	2.9
145.10130	28.5
147.11581	4.7
161.13196	2.9
163.11206	46.2
171.11604	2.5
179.86797	1.7
181.12244	10.3
191.10573	2.1
207.13695	4.5
209.11589	3.2
227.12794	88.3
237.22160	8.0
238.52637	1.7
320.77420	1.9
330.72183	2.1
501.35617	2.2
519.36334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12172	0.6
56.96572	0.8
57.44088	0.6
69.03442	0.7
70.06602	1.4
71.51734	0.9
74.06068	1.3
79.05502	1.1
84.04508	1.2
84.08131	1.1
85.02903	2.5
86.09715	0.9
87.29924	0.6
89.03935	1.1
93.07062	1.3
97.02931	0.7
98.97596	2.5
103.05469	7.5
107.04977	2.1
113.63901	0.7
116.07074	1.3
120.08118	100.0
127.03959	1.1
131.04932	3.6
135.04427	2.3
145.02870	2.0
147.04350	1.0
149.06009	2.1
163.03917	22.2
163.05244	1.3
166.08658	48.8
172.98787	0.7
173.80296	0.7
219.01825	1.1
237.02885	1.1
299.06354	1.1
324.27814	0.7
420.42932	0.7
492.60535	0.7
520.13379	0.8
536.52197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36192	0.8
58.06583	0.9
65.03940	1.1
69.49543	5.9
70.06599	11.5
77.92078	0.7
81.03426	5.1
82.06590	19.5
84.08125	0.7
88.04012	3.3
93.03429	1.3
94.06570	1.0
98.21543	1.4
100.07605	5.0
105.07033	1.0
107.04964	2.2
108.05759	1.2
116.07107	22.8
128.07091	100.0
131.04950	1.1
133.03009	0.8
136.05185	1.3
145.06511	1.3
146.07283	1.2
147.08098	0.8
150.05504	1.0
151.07558	47.3
159.08072	1.3
160.05200	0.9
160.08859	1.6
167.85316	0.9
168.06644	0.9
169.06610	0.8
171.08238	0.9
172.08820	2.7
173.06032	1.5
175.07617	1.2
177.09149	2.0
188.08394	4.8
189.09140	14.6
191.10667	2.6
200.08229	1.1
201.09140	3.5
202.09927	1.0
203.10683	8.6
208.09697	2.9
213.09233	0.9
219.10237	2.5
231.10181	5.6
236.09106	1.1
249.11227	7.4
439.13324	0.8
456.20337	2.0
468.86035	0.8
474.21506	1.9
484.55731	0.9
502.20950	6.4
520.21851	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32318	0.6
53.03952	2.1
53.70317	0.7
55.01878	5.1
55.05516	23.4
57.03437	1.9
57.07080	7.1
67.05176	1.2
67.05509	14.5
67.91959	0.9
69.07076	24.5
69.35553	6.4
71.04995	2.2
71.08628	3.5
73.02917	1.1
79.05498	21.6
81.03417	1.6
81.07069	17.6
83.04994	2.3
83.08149	1.6
83.08626	23.9
84.70103	0.8
85.06546	1.0
85.10194	1.7
91.05482	7.3
91.38792	0.8
93.07053	28.2
95.04988	4.4
95.08617	30.6
97.02893	3.1
97.06528	2.6
97.10175	11.4
99.04446	2.4
104.64510	0.8
105.07030	6.9
107.04958	7.0
107.08607	23.2
109.06521	1.9
109.10165	2.9
111.04483	0.8
111.11698	3.7
117.07025	10.2
119.08579	7.0
121.06512	3.3
121.10154	11.4
125.06009	2.3
125.13286	1.3
130.07782	2.1
133.10162	1.9
135.08099	1.0
135.11705	36.7
137.13258	1.2
139.07524	1.4
145.10135	23.7
149.13356	0.9
153.12784	1.1
163.11191	42.6
169.16516	0.9
181.12245	8.9
209.11832	2.2
219.21091	1.1
221.60201	0.7
225.50311	0.8
227.12798	85.1
228.13181	1.0
237.22163	10.8
308.45026	0.8
316.75009	0.8
367.79688	0.8
459.21704	2.0
519.24036	5.2
519.36835	100.0
520.36078	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06118	0.4
57.07074	0.4
58.06613	2.0
59.79116	0.4
64.04569	0.4
67.05512	1.1
69.03430	0.9
69.06726	0.7
69.07074	7.6
70.06586	2.6
70.66820	1.2
72.08173	1.3
73.02911	0.4
74.02451	4.7
79.05498	0.7
81.03407	1.0
81.07056	0.8
82.06631	0.5
83.04999	0.5
84.08149	7.7
85.02912	1.5
86.06107	0.4
86.09715	100.0
87.10043	0.5
91.05489	1.6
93.07061	1.4
95.05001	1.0
95.08637	0.5
96.08159	1.1
97.02909	1.0
97.06551	0.5
98.09729	1.0
105.03437	0.4
105.07060	0.9
107.04976	0.6
109.02888	0.4
112.07645	1.1
114.09162	1.1
116.07094	0.5
117.06999	0.8
119.04957	2.2
121.06541	0.8
121.10145	0.7
123.04426	2.2
124.07596	0.6
125.10846	0.4
127.03938	0.5
128.07108	0.5
130.08629	2.5
131.11813	0.5
132.08109	0.7
133.06477	0.5
135.04439	0.4
136.07594	4.7
137.02348	0.7
137.05988	8.5
137.06946	0.7
138.09160	0.6
138.12843	0.6
141.10248	1.2
143.04982	0.8
146.06020	2.5
147.04425	2.6
148.07591	1.3
149.09644	0.8
151.03934	4.4
152.14369	1.7
154.15932	13.5
160.07588	5.9
161.09697	0.8
163.03972	1.0
164.07054	0.5
165.05504	4.0
169.17032	0.4
172.07591	0.6
173.09703	0.6
174.12813	0.5
177.05475	1.6
177.09047	0.8
180.13892	1.2
181.04999	0.6
182.08125	2.3
185.09703	1.3
188.53470	0.4
189.05548	0.9
189.09128	7.4
190.12383	0.9
192.06567	2.4
197.16476	1.9
202.12300	14.6
202.14143	0.8
208.13280	2.2
209.16507	0.6
212.10793	0.8
213.09186	1.1
214.12265	1.0
217.13441	0.4
219.10255	1.2
219.14951	1.1
223.06021	0.4
224.40666	0.4
225.15991	6.0
229.13553	0.7
230.11797	1.4
231.10187	7.9
236.12881	0.5
247.14581	0.8
248.12862	11.1
253.15399	1.0
254.09990	0.5
265.15527	3.4
275.13885	3.9
276.12418	0.7
277.15585	1.5
281.11292	0.7
293.15085	1.1
295.16626	3.7
315.20706	0.9
316.80740	0.4
321.14383	3.2
327.08704	0.5
327.12399	1.0
333.21921	1.1
338.24454	1.2
343.20367	1.7
357.13544	1.0
361.21185	4.5
378.23883	0.5
388.22366	1.9
389.20792	3.4
406.23395	7.9
434.22928	63.7
435.23172	0.8
446.30273	0.4
491.32254	4.6
501.30789	4.9
502.17236	1.5
502.29181	43.5
503.29330	0.5
519.18652	3.4
519.25208	1.4
519.31927	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	519.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25279	6.4
80.57247	0.6
81.96718	0.7
84.08118	0.8
91.05453	1.1
102.02328	0.7
115.01550	0.8
117.05739	0.8
117.07037	0.8
118.06546	16.6
130.06512	1.8
132.08105	4.1
143.07297	1.2
144.04471	1.1
144.08081	11.0
146.06015	51.2
159.09190	5.3
160.07561	0.7
163.03918	1.6
163.98251	0.7
170.06052	3.5
188.07074	100.0
205.09734	41.6
205.88838	0.6
299.06314	0.8
443.18210	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.219
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	0.4
62.68845	0.2
63.33624	0.2
67.49167	0.2
69.03420	0.2
70.06577	0.2
70.42749	0.2
71.52793	0.3
85.02891	0.3
91.05863	0.2
98.97598	0.4
100.35953	0.2
105.07072	0.3
115.05454	2.0
117.05761	1.0
122.46326	0.2
128.98607	0.2
130.06496	0.2
131.07298	0.2
132.08092	3.3
133.06500	0.5
142.06531	0.7
143.07225	0.3
159.06793	0.5
160.07579	100.0
161.07889	1.1
163.03903	0.7
175.11899	0.3
177.10233	17.4
178.10567	0.2
197.88550	0.2
219.01563	0.2
299.06073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36304	0.1
67.01865	0.3
67.05498	0.1
68.99806	0.3
69.03429	0.1
69.40795	0.2
69.41219	0.4
71.05000	0.1
79.05540	0.1
81.03416	0.3
81.07049	0.3
85.02901	0.1
89.03857	0.1
91.05473	0.2
93.07039	0.2
94.29682	0.1
97.06516	0.1
99.03374	0.1
103.36686	0.1
105.07039	0.2
107.04982	0.1
109.02895	0.2
117.03420	0.1
125.02358	0.1
127.03873	0.2
135.04420	1.3
137.02322	0.4
137.06000	1.0
145.21439	0.1
150.09123	0.1
151.03867	0.1
151.09886	0.2
152.10692	0.1
153.01833	4.7
161.02313	0.5
161.05991	0.2
162.05524	0.6
171.02913	0.4
175.07654	0.1
175.87262	0.1
179.03395	0.3
185.93762	0.1
203.03459	0.1
213.05531	0.2
215.09200	0.3
219.06418	0.1
236.17160	0.1
241.04951	0.4
245.04482	0.1
269.04453	0.4
287.05505	100.0
288.05795	0.7
313.15512	0.2
365.13776	0.1
501.19003	0.2
519.14905	2.1
519.26984	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	519.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65528	1.3
55.01863	2.6
56.68180	1.2
59.05007	8.0
59.44705	1.4
67.05505	1.9
69.03437	3.5
70.06584	3.4
70.83875	3.7
71.04999	2.7
72.08148	2.0
79.05507	4.5
81.03426	2.5
81.07056	5.2
83.47211	1.4
85.02917	9.7
86.09726	2.1
87.04479	3.5
91.05451	7.3
93.07027	3.9
94.04180	3.0
95.04964	2.6
95.08646	3.0
97.02932	2.2
103.03924	2.8
103.05481	2.5
105.07027	4.2
107.04976	2.0
107.08604	3.2
109.02887	1.4
109.06535	2.8
109.10143	2.2
115.05433	1.5
116.07051	1.6
117.07035	1.5
119.04970	6.8
119.08587	3.8
121.02878	8.6
121.08701	1.4
121.10172	2.4
122.03645	8.8
123.04471	2.4
127.03918	2.7
128.06223	3.0
129.07022	3.6
131.04935	2.7
131.08614	1.9
133.02863	2.4
133.06554	1.8
133.10153	1.7
135.04427	3.0
137.05983	100.0
138.06354	1.9
139.06531	1.8
143.04907	1.7
144.05721	1.4
144.10280	1.4
145.02864	5.3
145.04953	1.9
145.06543	1.5
145.10080	1.6
147.04425	5.0
149.02371	16.7
149.05983	2.4
151.02861	1.7
151.03894	7.5
151.07558	7.0
153.05499	1.8
158.07294	1.5
159.08107	2.5
161.06003	12.3
163.03882	4.4
165.01875	11.3
165.05522	1.5
167.03407	3.7
167.05650	1.6
167.07065	3.3
172.05107	1.9
173.06062	1.6
174.06812	3.7
175.07545	11.3
177.01758	1.7
177.05493	5.0
177.16441	1.7
181.03647	1.5
183.02866	2.7
187.03940	3.2
187.07573	6.1
189.05467	2.3
189.09155	4.7
191.07092	2.1
198.06860	1.7
199.07538	3.9
201.05573	1.9
205.06676	1.6
205.08572	1.9
207.08047	1.7
210.06738	1.4
211.07607	5.0
211.10860	2.7
213.09166	4.1
215.03458	1.8
215.08568	1.5
217.08571	2.4
218.07307	2.3
221.05949	1.8
222.06816	1.6
224.08456	1.6
226.06287	1.4
232.09001	3.0
234.06760	3.3
235.07608	2.7
237.09120	1.7
241.08630	4.6
243.02902	1.7
247.07497	1.8
249.05469	2.1
249.09209	3.9
251.07063	2.2
253.08652	2.6
255.06386	1.7
261.09079	4.8
264.07785	3.4
265.08557	4.6
267.06525	8.5
267.10117	1.1
269.08014	2.4
270.05261	3.8
270.08762	2.8
271.05902	12.1
272.08359	2.1
273.09091	1.5
275.10690	4.0
277.08658	5.4
278.09381	2.0
279.06589	3.7
279.10068	2.0
280.07300	1.6
281.07999	9.1
283.06049	60.1
283.09503	4.9
284.06598	12.0
285.11325	2.0
287.10654	2.3
288.07388	1.6
289.08679	4.1
291.10236	2.5
293.08163	1.7
294.09039	1.8
295.06052	18.8
295.09668	10.3
297.04059	2.1
297.07559	4.7
297.11157	6.0
301.08649	3.2
303.10104	4.1
305.08014	6.6
305.11560	1.4
306.08817	1.3
307.06110	2.8
307.09595	4.8
308.06775	5.7
308.10114	1.8
309.07571	22.7
309.11133	2.7
311.05582	2.2
313.07065	99.2
314.07193	1.5
315.10217	5.9
317.08209	2.5
317.11667	2.4
320.10318	2.4
321.11105	6.6
323.09164	18.9
323.12680	2.3
325.11011	1.6
332.10385	4.0
333.07770	7.7
333.10992	2.0
335.12891	10.0
337.07095	42.8
337.13678	1.9
339.08524	3.2
340.07333	1.4
344.10413	1.5
345.11136	2.1
347.12912	11.0
349.06796	1.8
351.08731	4.0
355.09586	2.2
357.13876	1.6
359.12888	2.6
361.07089	14.9
365.13922	15.0
367.08121	1.7
371.09048	1.5
377.13870	5.2
379.08139	84.0
381.11304	2.0
384.10135	2.3
385.10779	3.2
387.12247	3.2
395.15121	7.6
397.09207	6.7
415.11230	6.3
417.13467	2.4
418.13824	1.9
427.15338	1.9
429.13412	2.4
430.13925	4.4
439.15308	3.0
443.14502	1.7
448.15265	29.7
449.15732	3.5
461.15933	4.6
465.11871	2.5
471.18097	4.1
483.12701	16.4
483.18243	1.7
487.17273	1.9
489.18884	2.2
501.12683	15.1
501.20444	14.1
519.20923	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	519.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.9
53.03942	2.0
53.25482	0.5
55.01866	2.5
57.03442	3.1
61.02926	4.3
65.03942	1.3
65.69147	0.5
67.05495	1.8
68.99785	1.1
69.03436	12.9
69.97475	0.7
70.06573	1.0
71.01345	0.9
71.04999	1.2
72.08159	0.7
73.02921	1.3
79.05508	0.7
81.02984	1.0
81.03422	11.5
81.07051	0.8
84.08136	1.3
85.02910	25.7
86.09715	5.8
87.04488	2.9
91.03954	1.0
91.05490	1.1
93.03419	1.6
93.07028	1.1
95.04988	0.9
97.02293	0.9
97.02904	10.1
99.04468	2.1
103.05479	0.7
105.07010	1.1
107.08586	0.7
107.90199	0.7
109.02883	4.7
111.04429	0.9
115.05444	3.2
116.07084	1.1
117.07014	1.6
119.04948	1.0
119.08588	0.7
121.02847	2.6
122.03630	1.4
123.04429	12.9
125.09625	0.6
127.03936	5.5
129.07062	0.8
131.04956	1.7
133.02861	0.7
133.06453	1.2
135.04422	0.8
135.08168	0.6
137.02354	61.2
137.03410	4.1
137.05971	9.9
139.03903	2.2
143.04938	3.9
145.04971	4.2
145.06514	1.3
147.04428	1.5
149.09630	0.7
151.03914	100.0
159.04422	0.9
159.07947	0.6
161.06007	13.4
163.03896	1.3
163.07637	1.2
165.01854	5.4
166.89439	0.6
167.07028	0.7
168.10924	0.8
173.05988	1.7
175.03917	19.1
175.07550	2.2
177.05530	1.8
187.07552	1.2
189.03734	1.0
189.05470	17.1
189.06805	0.7
189.09151	0.7
191.03435	1.2
191.07050	18.0
201.05475	1.4
202.12360	0.9
203.06982	1.2
205.04854	0.7
205.06488	1.0
212.13734	1.1
217.04951	2.1
219.06554	4.2
219.08386	0.9
223.07600	0.8
231.04596	0.7
233.05983	0.9
241.08644	0.7
248.12807	0.9
251.07059	1.9
263.07031	1.0
265.08450	1.0
267.06485	1.2
271.06018	1.5
279.06696	1.4
281.08151	2.9
283.05981	6.1
284.06891	1.0
285.11380	1.0
291.06396	0.9
295.06046	2.2
295.09344	1.1
297.07697	1.5
297.11038	1.0
299.06134	0.8
305.08005	0.7
307.09525	1.2
309.07468	3.4
311.09067	0.9
313.07010	7.8
315.12451	1.4
323.09204	2.0
326.98178	0.6
327.08664	23.8
335.12964	1.2
337.07162	3.6
339.08673	15.5
339.12222	1.0
357.09671	18.8
357.13443	1.2
357.19177	0.9
361.07138	1.1
369.09589	1.5
369.79437	0.7
372.70328	0.7
379.07968	4.0
434.22998	2.9
441.64389	0.7
448.15054	1.4
483.09305	2.9
489.13550	0.7
499.78906	0.7
501.10147	0.8
501.18866	1.0
502.29266	2.5
519.14948	38.6
519.24036	23.4
519.31329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97026	1.5
55.05508	3.1
59.69207	1.4
61.01134	2.2
67.05508	2.6
69.28876	3.1
69.29279	12.8
73.04759	11.6
77.00612	62.9
79.02164	1.9
79.05525	1.6
81.07047	4.2
89.06048	10.4
91.05830	14.5
92.42591	1.6
93.07027	4.2
95.01654	100.0
95.08600	2.5
99.02656	3.7
101.04255	2.7
103.02181	1.8
105.07001	4.2
107.08646	1.8
109.10196	1.7
114.07386	4.1
117.03730	3.6
117.07304	7.6
117.91013	2.2
118.03236	16.3
119.01652	5.1
121.03184	7.2
127.17716	2.0
133.10129	2.2
145.06813	79.9
147.04736	42.8
161.09985	9.4
165.05786	3.7
169.03493	3.9
179.99629	2.0
184.07231	1.7
189.09436	26.7
191.07396	10.9
233.12053	22.1
239.09550	11.5
265.11130	3.1
320.15601	1.9
321.17255	32.8
353.78354	2.0
518.39197	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	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.5
58.06633	0.4
59.07135	0.1
59.07391	0.2
60.08167	6.1
67.05512	0.7
69.29536	0.8
71.07377	3.0
79.05505	0.3
81.07056	0.6
86.09710	30.3
91.05486	0.2
93.07037	0.2
95.08611	0.3
98.20785	0.2
98.21449	0.2
98.98463	2.5
104.10754	3.0
107.08624	0.1
109.10214	0.1
121.10181	0.1
125.00011	21.0
184.07349	100.0
185.07796	0.2
225.08385	0.1
258.11145	0.2
335.26004	0.2
351.59879	0.1
500.31296	1.1
518.32477	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	518.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
56.05040	1.2
58.06576	1.5
59.07390	0.3
59.65441	0.2
60.08169	16.5
67.05508	2.5
69.07063	0.8
69.78877	1.1
70.06609	0.3
71.07382	6.9
79.05495	1.8
81.07073	2.5
83.08622	0.4
86.09713	51.3
88.23031	0.3
91.05479	0.9
93.07045	1.5
95.04957	0.3
95.08628	1.6
98.98483	4.0
104.10753	100.0
105.07006	0.6
107.08594	0.9
109.10162	0.6
119.08575	0.5
121.10154	0.6
125.00017	30.0
133.10135	0.4
135.11734	0.4
163.01585	0.7
184.07355	96.5
185.07693	0.3
258.11017	1.0
335.25897	0.5
441.24243	0.3
500.31418	9.2
500.38925	0.5
518.32501	35.9
519.33197	0.5
543.95215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
55.05513	11.2
57.07076	7.8
62.07632	2.0
65.03965	2.3
67.05511	12.3
69.03435	4.8
69.07069	31.8
70.06571	2.4
70.82967	2.7
70.83289	3.4
71.04974	2.1
73.02905	3.0
79.05495	17.1
81.03423	4.5
81.07061	28.6
83.08617	7.0
85.02912	16.2
87.00824	4.6
91.05481	26.0
93.07049	54.9
95.04971	6.6
95.08612	41.8
97.02898	6.7
97.06522	4.3
97.10183	5.6
103.05507	2.6
105.01869	15.1
105.07043	49.3
107.04983	3.1
107.08602	72.4
107.47906	2.2
109.02914	4.4
109.06523	9.3
109.10156	34.0
111.08116	3.6
111.11728	8.3
113.86159	2.3
117.07121	2.4
119.07709	2.5
119.08587	44.8
121.06533	3.5
121.10156	25.7
123.08064	3.0
123.11723	5.9
125.06016	12.4
127.03933	10.8
131.04906	2.7
131.08545	5.1
133.10141	77.6
135.11707	62.4
135.12720	3.5
137.05960	11.3
138.06320	2.6
139.07536	7.5
145.04959	2.5
145.10110	3.9
147.08080	2.7
147.11694	40.7
149.09605	4.5
149.13217	6.3
151.07559	4.2
151.11217	5.7
153.09113	5.2
157.10135	3.9
159.07985	2.2
159.11636	2.7
161.09624	12.4
161.13286	8.7
163.14723	2.8
164.08318	2.6
165.01097	2.3
165.09140	8.1
167.10713	2.2
173.13266	10.3
175.11174	5.7
175.14824	9.2
179.10693	33.5
181.08614	5.7
185.31461	2.1
189.16391	100.0
193.12306	6.4
199.14876	4.8
217.15887	30.8
235.16960	34.8
249.06131	2.5
251.63261	2.0
384.44186	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	518.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.1
60.74434	4.5
64.16072	3.5
67.05486	13.2
69.03426	9.4
69.07084	28.7
70.06579	11.1
71.53304	6.1
72.08138	5.5
73.91644	4.2
79.05501	19.9
81.03391	5.1
81.07056	25.6
83.08639	6.7
85.02904	21.5
87.00816	7.1
91.05492	26.4
93.07048	54.5
95.04952	9.2
95.08600	36.5
97.02863	6.0
97.06544	6.7
97.10149	4.3
104.21444	4.0
104.61785	3.6
105.01834	11.2
105.07022	42.4
107.04947	5.2
107.08585	69.6
109.02873	5.3
109.06519	7.3
109.10145	29.5
111.11696	7.1
111.19156	4.2
119.08569	48.0
121.06522	5.2
121.10154	22.3
125.05973	10.3
127.03928	11.5
131.08620	6.5
133.06477	6.7
133.10149	67.5
135.04408	4.0
135.11700	67.3
137.05980	13.6
139.07555	4.4
145.10081	4.6
147.11681	39.4
151.07500	5.0
151.11105	5.3
153.08929	5.4
157.01671	4.2
159.11636	4.8
161.09589	16.9
161.13239	9.4
165.09067	9.1
167.12628	4.8
172.38713	4.2
173.13277	9.7
175.14799	9.1
179.10690	33.8
189.16374	100.0
217.15916	35.5
217.53181	4.2
223.15178	4.7
231.04875	5.4
235.16919	34.1
376.62695	4.6
510.78540	4.9
518.31299	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	517.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23202	2.1
53.03952	2.7
55.05519	15.0
57.07090	11.5
65.03960	2.3
67.05506	26.1
69.07073	29.2
69.24464	20.6
74.53883	2.4
79.05487	12.1
81.07062	48.2
83.08627	11.4
86.39878	2.3
86.91592	2.0
91.05489	19.0
93.07050	28.9
93.23160	2.1
95.04975	5.1
95.08614	42.1
95.09171	4.0
97.10217	6.5
103.05470	5.2
105.04561	2.0
105.07045	32.1
107.04961	52.9
107.08604	27.8
107.94919	2.6
109.10160	25.3
111.11745	4.1
115.05522	2.4
117.07059	7.4
117.12073	2.0
119.08595	32.9
121.02898	5.0
121.06509	23.5
121.10151	15.2
123.04465	3.4
123.11732	10.7
129.07077	3.8
131.05002	9.3
131.08641	7.6
133.06505	22.8
133.07303	2.1
133.10165	23.3
135.08067	2.9
135.11697	14.5
137.13351	6.5
143.08592	2.3
145.06474	13.1
145.10132	12.6
147.08095	9.6
147.11676	13.1
149.06047	5.5
149.13318	3.5
155.08598	4.3
157.06555	7.8
159.08150	9.1
159.11636	10.7
161.05986	6.1
161.09605	11.5
161.13306	6.7
163.14850	3.6
165.07013	2.7
171.08145	7.3
173.06078	2.3
173.09679	5.1
173.13391	3.2
175.07613	2.4
175.11279	7.5
175.14941	6.3
177.16388	2.7
179.62350	2.0
183.08113	4.9
184.36884	2.2
185.09727	8.2
185.66006	2.5
187.11224	5.9
189.16455	5.5
191.17970	2.4
195.08147	2.7
197.09770	6.8
199.07571	2.3
199.11298	5.2
201.16542	2.6
203.18030	4.5
209.09766	2.9
210.54704	2.2
211.11238	5.7
213.12770	3.4
215.17943	3.4
217.19691	3.8
223.11285	2.8
223.29457	2.2
225.64186	2.2
229.19635	2.5
231.21178	4.8
239.14497	2.7
241.16072	4.4
327.15613	2.3
381.32132	5.1
447.32388	2.8
461.34433	8.7
475.35660	3.5
489.41043	5.4
499.39291	16.2
517.40662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50417	0.6
55.72643	0.5
58.06608	48.4
64.01182	0.5
66.06668	0.5
69.03431	1.8
71.98353	0.6
72.08170	1.1
85.02911	3.1
93.02949	0.6
93.62163	0.6
97.02908	0.8
98.61513	0.5
99.61015	0.5
122.54916	0.5
128.07109	0.7
130.82457	0.5
145.02838	0.8
156.24797	0.7
177.05464	0.6
182.94452	0.5
191.08498	0.6
219.07962	0.6
225.09059	0.6
236.08353	1.1
237.09161	6.4
238.09741	0.6
249.09158	1.7
251.07094	0.5
251.10747	1.5
253.08679	3.9
264.07791	1.4
265.08633	29.4
274.67502	0.6
279.10242	3.4
280.10977	67.8
281.08133	22.0
281.11270	1.5
282.08856	0.9
295.09607	0.6
296.06998	1.2
296.10471	38.8
311.12814	40.3
344.15997	0.5
473.18121	9.4
518.23938	100.0
519.24274	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3894
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03940	1.9
55.05520	11.8
57.03430	3.1
57.07074	2.0
59.07018	1.3
67.05514	22.8
69.07073	12.7
71.04984	1.6
71.52290	1.6
79.05502	17.5
81.07063	27.2
83.08630	4.8
91.05489	15.4
93.07053	22.7
95.08609	26.5
97.06538	2.7
97.10165	2.3
105.07041	21.2
107.08608	16.3
109.06497	1.3
109.10166	10.9
113.00047	3.0
117.07030	7.2
119.08593	22.1
121.10158	13.8
123.08095	2.3
123.11685	3.0
129.07028	3.6
131.08563	15.6
133.10146	13.3
135.11682	5.6
137.13205	1.2
143.08534	5.1
145.10147	12.7
147.11688	10.5
149.09628	1.3
149.13240	5.2
155.08623	1.3
157.10179	4.4
159.11702	10.8
161.13232	5.8
163.11169	1.5
169.10124	2.4
171.11685	4.7
173.13307	10.5
175.14780	2.6
177.16313	1.6
179.14308	1.5
183.11696	2.2
185.13298	2.4
187.14896	4.2
197.13191	1.5
199.14868	2.3
201.16463	1.7
213.16508	1.4
215.18066	1.2
231.17694	1.0
241.17867	2.9
259.20645	2.4
273.22195	1.6
287.23688	1.7
295.72137	1.1
301.25253	1.6
305.25031	1.5
331.26389	1.8
405.29907	2.5
405.46671	1.4
407.33084	2.9
425.34317	11.7
443.35278	4.1
447.31049	1.5
499.37921	16.7
517.38947	100.0
526.05841	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3893
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
55.05520	8.8
57.03442	2.8
67.05180	2.2
67.05514	27.8
69.01671	1.7
69.07075	10.9
71.52948	2.9
77.83170	1.6
79.05515	15.3
79.96692	1.8
81.07063	32.1
82.92714	1.6
83.08625	6.9
85.06569	2.2
91.05505	15.6
93.07048	22.8
95.08607	23.8
97.06536	1.6
97.10178	4.4
98.20709	1.5
105.07047	19.5
107.08613	17.1
109.10159	14.9
110.29824	1.6
111.08099	2.3
113.00034	2.6
117.07045	5.4
117.88564	1.6
119.08611	19.8
121.10145	14.7
122.86763	1.4
123.08080	2.6
123.11708	3.3
129.06996	3.8
131.08583	13.0
133.10161	15.6
135.11731	6.8
143.08655	4.8
145.10143	12.5
147.11699	11.0
149.09608	2.5
149.13290	4.7
157.10184	5.4
159.11662	8.8
161.13303	6.7
165.12848	2.1
171.11714	5.4
173.13304	6.5
175.14821	4.2
177.16423	2.7
183.11755	2.6
185.13278	4.2
187.14882	3.7
189.16365	2.2
190.30220	1.9
197.13281	2.5
199.14841	3.7
201.16429	1.8
213.16440	3.1
227.20251	1.7
259.20639	3.8
273.22110	2.2
287.23624	2.2
287.95047	1.7
297.88791	1.8
331.26251	2.2
405.30017	3.5
407.33011	3.1
425.34125	13.0
443.35275	4.4
499.37741	13.2
517.39026	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56791	0.3
53.03926	0.4
55.01870	0.5
55.05508	0.7
57.03447	2.3
57.07080	3.7
59.05007	2.5
65.03934	1.4
67.05511	18.3
69.03438	10.2
69.07092	0.5
71.04999	16.5
73.06567	0.6
79.05503	2.0
81.03414	0.4
81.07064	4.2
83.04991	1.8
83.08636	0.5
85.02952	0.3
85.06553	22.6
87.04479	2.3
91.05513	1.8
93.07056	2.3
95.04977	20.3
95.08626	1.8
97.06525	0.8
98.40510	0.3
99.08106	0.4
100.11275	0.3
101.06039	0.9
105.07038	2.5
107.08611	2.0
109.06525	1.6
109.10120	0.4
111.08062	0.5
113.06015	100.0
115.23172	0.3
117.07035	0.6
119.08604	1.9
121.06479	0.4
121.10170	1.8
125.05091	0.4
125.06009	5.0
125.09650	0.3
127.07573	0.4
129.06982	0.4
131.08559	1.6
133.10127	1.3
135.04425	0.9
135.11647	0.6
137.05998	2.0
143.08585	1.3
145.08614	21.3
145.10092	1.8
147.08058	0.4
147.11697	1.0
149.13315	0.5
153.05487	6.1
155.07042	5.8
155.08455	0.7
157.10118	1.0
159.11678	1.6
167.07086	0.4
169.10193	1.0
171.11673	0.8
172.84764	0.3
173.13354	0.6
175.14821	0.7
177.09152	0.3
181.10143	0.6
183.11740	0.8
185.13249	0.5
187.14920	0.9
189.16422	1.2
195.11742	0.4
197.13315	0.8
199.14885	0.7
201.16389	4.5
211.14870	0.7
213.16376	0.6
215.17917	0.8
221.13246	0.3
227.10828	0.4
229.12148	0.3
235.14845	0.4
253.19655	0.7
277.19702	0.8
281.15329	0.4
291.21225	0.6
293.22574	0.4
298.17685	0.3
309.21945	0.6
319.20581	0.8
325.14447	0.8
327.23132	0.4
337.21692	6.2
355.22702	15.7
373.23834	4.4
505.15665	0.3
517.17865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1715
Annotation	Jasmolactone D
Peak:m/z	Relative Intensity
53.03930	0.3
55.01888	0.5
55.30396	0.2
57.03434	0.4
61.02937	0.3
63.76954	0.3
65.03936	0.4
65.61423	0.2
66.04709	0.3
69.03440	1.5
70.06583	0.5
70.20983	0.5
70.21338	0.5
73.02933	0.3
77.03954	0.2
79.05476	0.4
81.03421	0.9
81.07062	0.7
81.29131	0.2
85.02918	3.0
87.04458	0.2
87.22128	0.2
91.05531	0.5
94.04178	1.7
95.08645	0.2
96.84191	0.2
97.02921	1.2
99.04479	0.5
100.57978	0.2
107.05006	0.2
109.02891	0.6
115.05463	2.1
117.07014	0.9
121.02898	0.3
122.03669	5.3
123.04420	0.3
127.03940	0.5
131.04947	0.5
132.95863	0.3
135.04430	8.6
137.05992	100.0
138.06319	0.3
143.04941	5.3
145.04985	0.4
145.06493	0.3
149.02362	11.2
151.03917	1.7
161.05975	0.4
173.06012	3.4
174.96886	0.5
175.07581	0.5
175.14807	0.2
177.48828	0.2
189.05406	0.3
189.79842	0.2
201.05486	2.4
203.07048	3.4
205.08635	0.5
234.99052	0.8
265.08499	0.3
312.16718	0.3
325.10733	15.9
355.11801	8.7
431.17285	1.2
436.37503	0.2
487.16592	0.3
517.17096	33.1
518.17389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1712
Annotation	Epimedoside C
Peak:m/z	Relative Intensity
51.02395	0.5
53.03939	1.0
53.16913	0.5
55.01865	1.7
55.05490	0.6
57.03449	2.8
58.06595	1.2
61.02922	2.7
65.03941	1.6
66.04712	0.7
67.05505	0.8
67.84132	0.5
68.99787	1.0
69.03436	11.2
70.06608	1.0
71.01360	0.6
71.04987	1.5
72.08167	0.9
73.02927	2.3
79.05497	2.3
81.03422	4.1
81.07052	1.6
83.04948	0.6
84.02435	0.5
85.02914	24.0
85.06552	0.9
86.09691	1.0
87.04459	1.9
89.06033	1.2
91.03979	1.2
91.05513	3.1
93.07051	3.6
94.04222	2.4
95.01316	0.8
95.08605	1.2
97.02904	6.5
99.04459	2.0
103.03941	1.4
105.03386	0.6
105.07026	1.2
107.04942	1.5
107.08603	1.4
109.02870	3.0
109.06551	1.2
109.10201	0.6
115.03915	0.5
115.05485	5.7
117.03398	1.6
117.07028	2.0
119.04987	1.0
119.08592	0.9
121.06516	0.8
121.10164	2.9
122.03641	5.6
123.08067	0.5
127.03947	5.0
129.07016	0.8
131.04968	1.1
131.08603	0.6
133.06529	0.6
133.10132	0.7
135.04437	16.9
137.05991	100.0
143.04933	8.4
145.02846	4.0
145.05006	1.8
145.06517	1.3
147.04449	1.4
149.02356	32.8
149.06036	0.7
149.09679	1.7
151.03922	3.4
160.07530	0.7
161.05991	1.5
163.03908	2.2
163.07509	0.7
163.11163	0.5
165.05537	0.9
167.10530	0.5
171.04373	0.6
173.05995	6.2
175.03908	1.1
175.07590	0.7
177.05499	7.0
179.07043	2.2
181.05078	0.7
187.07553	0.8
189.05486	1.3
189.09204	0.7
201.05484	7.2
203.07050	4.1
205.08614	1.5
214.77190	0.5
218.07477	0.6
219.08127	0.8
231.68802	0.5
242.19043	0.5
249.09009	0.5
277.08624	1.1
287.06912	0.8
295.09805	0.9
297.14713	0.5
305.08160	1.7
307.09592	0.7
309.11108	0.7
319.09592	3.2
323.09146	0.7
325.10733	17.2
337.10721	7.2
349.10922	0.5
355.11819	10.8
367.11768	1.5
474.80511	0.6
487.16083	1.5
517.17090	63.9
518.17065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1713
Annotation	Vitexin 2''-O-(2'''-methylbutyryl)
Peak:m/z	Relative Intensity
53.03938	1.1
55.01870	0.7
55.05495	0.6
57.07083	37.1
61.02920	0.8
67.05476	1.2
69.03441	4.4
69.07045	0.8
69.54243	3.5
79.05507	0.6
81.03426	3.6
81.07050	0.7
85.02885	2.2
85.06548	4.8
85.74448	0.6
87.00833	1.7
91.05492	0.8
93.03405	0.6
93.07076	0.7
95.08613	1.0
97.02896	3.1
97.06526	1.3
98.03185	0.6
99.04440	1.5
103.03909	0.6
105.01869	1.1
109.02883	4.3
110.03208	0.9
111.04443	0.8
119.05002	2.6
121.02888	4.5
123.04453	0.6
127.03919	7.9
128.04276	3.2
133.10095	0.6
134.69688	0.5
135.04425	2.6
137.06007	4.4
145.02843	2.0
145.04938	0.8
145.10158	0.7
149.02341	4.2
163.03900	1.5
165.01834	3.2
167.03394	2.0
169.08611	1.5
177.01846	2.2
181.05019	0.5
181.57036	0.5
184.93539	0.6
187.03873	0.5
189.01759	0.6
195.02937	1.8
197.49553	0.6
211.07487	0.6
229.08409	0.5
231.05035	1.1
232.05573	0.5
239.07098	2.6
247.11844	6.0
256.06964	0.5
263.07700	0.5
267.06546	19.8
270.05209	1.6
271.05972	4.2
279.06534	1.0
281.08090	1.6
283.06024	24.5
284.06848	4.0
285.07434	0.8
295.06046	100.0
296.06598	0.9
297.04013	1.2
297.07559	1.6
305.08231	0.6
307.06039	1.3
309.04202	0.9
309.07578	8.2
311.05582	0.8
313.07080	62.6
317.05005	0.7
321.07712	1.1
323.09158	2.6
325.07147	0.9
325.14410	1.0
333.07599	1.5
335.05646	0.7
337.07053	14.7
349.07013	3.8
351.08759	1.1
361.07086	2.0
367.08115	2.9
379.08154	8.2
397.09143	3.0
397.13251	16.0
415.10251	13.8
433.11404	1.7
437.82672	0.6
499.15643	3.1
517.17120	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	516.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01887	2.4
55.05522	10.2
57.07082	3.8
59.26275	1.9
66.02775	2.1
67.05515	24.1
69.07071	15.3
71.52990	2.5
79.05505	21.4
81.07067	60.5
83.08617	4.9
91.05495	23.0
93.07053	44.8
95.04980	3.8
95.08619	46.4
97.10208	4.6
103.05482	5.7
105.07045	89.9
107.08607	45.6
109.06526	3.5
109.10173	31.2
115.05472	13.2
117.07037	2.7
118.04188	4.6
119.04927	3.7
119.08591	30.4
121.06503	1.9
121.10159	34.4
123.11742	12.6
131.08577	7.2
133.06499	45.4
133.10121	16.6
135.11713	20.4
137.13290	3.3
143.06079	4.4
145.06577	3.0
145.10158	11.9
147.11710	17.5
149.13252	15.7
151.07556	3.2
159.11723	10.6
161.06007	100.0
161.13260	12.9
163.14828	7.7
167.07062	15.3
173.13261	6.4
175.14847	6.0
177.16455	4.3
187.14828	3.9
189.16414	3.7
193.08627	70.7
201.16412	6.7
203.17986	3.2
205.08679	2.9
211.09705	9.1
215.17992	8.9
219.10062	2.2
223.09750	2.3
271.24249	6.8
297.87473	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	517.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41213	0.2
53.03947	0.3
55.01863	0.4
55.05521	0.3
57.03437	0.4
61.02920	0.8
61.56101	0.2
63.02374	0.3
67.05498	0.4
69.03431	1.7
70.06573	0.9
71.04967	0.3
71.51363	0.3
72.08141	0.5
73.02898	0.2
79.05479	1.0
81.03434	1.3
81.07045	0.6
82.06540	0.3
83.04966	0.4
84.08148	13.8
85.02439	0.4
85.02911	6.8
85.08478	2.3
86.09708	0.5
87.04426	0.3
89.03925	4.4
91.03956	0.3
93.07059	0.5
93.33955	0.2
95.04978	0.6
95.08554	0.3
97.02906	2.8
99.04456	0.4
100.07641	0.3
105.07025	0.6
107.04953	1.8
107.08587	0.6
109.02847	0.6
109.06548	0.4
111.04499	0.3
117.03383	5.1
117.06686	0.2
119.08557	0.4
120.08898	0.3
121.02851	0.3
127.03938	1.3
128.07069	1.0
130.08641	5.1
131.09021	1.4
133.10194	0.3
135.04424	12.1
145.02856	8.3
145.04015	0.4
145.04904	1.7
151.07539	0.3
159.20313	0.2
163.03912	100.0
181.05016	0.3
214.09291	0.3
256.11786	1.1
257.12180	0.7
262.49011	0.2
274.12866	1.5
275.13269	1.1
292.13943	0.7
293.14081	0.3
324.47409	0.2
325.09326	0.9
337.09131	0.4
439.12402	0.3
499.27533	0.5
516.28015	1.3
517.20258	0.4
517.28381	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	517.1712
Annotation	Vitexin 2''-O-(2'''-methylbutyryl)
Peak:m/z	Relative Intensity
53.11821	0.4
53.60933	0.4
54.81754	0.4
55.01856	0.4
57.07080	21.9
60.21613	0.4
67.05476	0.4
69.03395	0.9
70.96844	0.9
79.01833	1.0
79.58540	0.5
81.03395	1.7
85.02905	3.6
85.06512	1.1
91.05473	0.9
95.04991	0.5
99.30406	0.4
103.03934	1.1
103.07446	0.4
107.01289	0.5
109.02873	1.1
111.26406	0.5
119.04957	2.7
121.02880	13.1
123.04414	0.5
125.02348	0.6
135.04364	0.6
137.06032	0.9
141.01845	0.4
145.02864	2.1
147.04401	0.8
149.02293	0.8
153.01886	0.6
163.03912	1.4
165.00526	0.7
165.01851	7.3
167.03310	0.6
171.02869	0.7
177.01868	1.1
177.05461	0.5
179.03340	0.6
183.02901	1.9
187.03896	1.6
187.09662	0.5
189.05489	0.6
195.02937	0.9
197.05989	0.8
199.07504	0.5
205.01271	0.6
211.07468	1.2
213.05556	2.5
215.03435	0.6
217.04967	1.7
227.06973	0.8
228.07741	0.8
233.04555	0.7
238.06081	0.6
241.04971	0.6
243.02928	1.7
243.06540	1.9
248.50868	0.5
255.06534	4.5
256.07309	5.5
259.05966	1.4
261.04059	1.1
267.06555	1.1
268.07382	1.3
270.05212	1.2
271.06039	4.2
277.64197	0.5
279.06409	0.8
281.07907	0.6
283.06036	60.4
284.06808	33.8
285.07520	2.7
289.07025	0.6
295.06033	28.2
296.06390	0.5
297.07590	13.9
298.04794	1.0
307.06100	1.1
308.06812	1.7
309.07571	5.3
311.05579	2.8
313.07071	100.0
314.07437	0.7
323.05481	1.9
323.09152	7.9
325.07056	4.3
325.14532	0.6
327.08649	1.3
333.07544	2.0
334.33017	0.5
335.05658	0.6
337.07068	23.8
341.06531	0.7
343.08194	4.5
349.07037	0.9
351.08655	4.6
355.08005	1.3
355.11887	0.6
361.07098	7.2
367.08170	4.8
369.09552	0.8
379.08179	14.1
397.09213	14.8
415.10239	25.6
433.11304	3.9
481.14920	10.9
499.16049	21.7
499.46866	0.4
517.17114	76.0
518.17224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.4
55.05515	11.8
57.07081	4.4
65.03933	2.0
67.05512	19.0
69.07072	16.7
69.36961	6.7
69.37386	5.6
71.04989	7.4
77.27474	1.3
79.05498	30.4
81.07062	80.7
82.09832	1.4
83.08608	4.6
91.05472	20.0
93.06480	2.6
93.07051	38.1
95.04973	4.7
95.08614	38.9
103.05482	8.2
105.04581	1.9
105.07039	84.0
107.08604	43.1
109.10165	35.7
111.08097	1.7
111.11664	2.1
115.05461	13.5
117.06994	2.8
118.04185	4.9
119.04935	2.9
119.08591	28.0
121.10155	24.8
123.08055	1.6
123.11713	12.3
123.18803	1.5
127.11205	6.7
131.04947	2.3
131.08571	5.4
133.06506	53.2
133.10147	27.7
135.11710	22.9
137.13231	2.5
143.06065	4.1
145.10159	9.3
147.11694	13.2
149.05978	1.6
149.09586	1.8
149.13260	17.6
153.12764	4.2
159.11728	7.2
161.05992	100.0
161.13287	9.9
163.14853	6.5
167.07103	8.9
171.10202	2.1
173.13275	4.1
175.14876	6.3
177.16388	4.6
187.14870	4.1
189.16418	7.0
191.07169	1.5
191.17998	4.3
193.06862	3.4
193.08624	68.3
199.86919	1.4
201.16393	5.0
203.17972	6.8
205.08464	3.7
207.10207	1.6
211.09657	6.0
215.17987	5.2
219.17281	1.5
259.30206	1.4
268.68265	1.9
271.24438	1.6
306.27902	2.9
381.59744	1.6
412.52631	1.5
453.12527	1.6
459.97931	1.6
510.40295	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36200	1.4
50.75600	1.3
53.03959	3.6
55.05518	11.9
57.07088	3.8
64.32912	1.5
65.03929	2.3
67.05518	23.8
69.03434	3.8
69.07080	42.1
71.04984	3.1
71.29461	3.3
79.05508	26.0
81.07070	100.0
83.08619	7.9
85.06538	2.6
87.04507	2.1
91.05486	13.8
93.07059	34.4
95.04997	4.3
95.08624	56.3
97.06554	3.5
97.10171	4.0
97.13419	1.5
99.08073	1.7
103.05499	2.5
105.07051	39.6
107.08611	34.7
109.06556	9.6
109.10172	42.2
111.08096	3.4
111.11730	2.5
115.05484	2.0
117.07012	2.6
119.08599	28.4
121.10159	25.8
123.11729	16.2
125.09640	2.1
131.08582	6.6
133.06529	14.4
133.10168	18.7
135.04422	1.7
135.11711	14.6
137.09660	2.5
137.13283	8.8
145.10172	9.2
147.11714	22.6
149.13280	10.9
151.11212	21.0
159.11679	11.6
160.07631	5.0
161.06021	22.5
161.07352	1.9
161.07997	2.3
161.13281	12.7
163.04318	1.4
163.14886	7.6
165.12747	1.6
173.13243	8.0
175.14880	7.0
177.16426	4.4
187.14830	5.9
189.16389	9.2
191.17938	1.8
193.08653	16.6
201.16389	7.5
203.17970	5.6
207.17433	2.6
215.17981	7.8
217.49983	1.6
271.24246	10.2
289.25180	1.5
411.47748	1.7
474.45331	1.5
518.06207	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.05508	1.3
57.03458	0.7
65.55821	0.4
67.05515	1.1
69.03426	2.1
69.07059	1.3
70.06593	4.2
71.08494	0.8
72.08144	0.9
73.64333	0.4
76.51076	0.3
79.05515	2.7
81.03418	1.1
81.07065	6.4
82.06579	3.8
83.04974	1.7
84.08150	100.0
85.02916	2.7
86.09697	0.7
89.03955	0.4
91.05511	1.8
93.07053	2.6
95.04971	1.0
95.08590	2.4
97.02901	1.2
97.06525	0.9
99.04470	0.6
100.07634	1.4
105.07059	2.4
107.08607	3.0
109.03002	0.4
109.06517	1.2
109.10198	0.6
111.04473	0.7
111.08063	0.9
112.07593	0.4
116.07073	0.6
117.03394	0.6
119.08564	2.0
121.06502	0.7
121.10162	1.5
123.08089	0.5
125.06015	1.4
127.03957	0.7
127.07571	0.8
128.07082	8.0
130.08649	43.0
131.08585	0.5
133.10115	2.1
135.04413	1.4
135.08052	0.4
139.07620	0.4
145.02864	0.8
145.04945	0.4
145.10158	0.4
147.04460	0.7
147.08052	0.6
147.11700	1.1
151.07634	0.7
156.09314	0.6
159.11780	0.5
161.13309	0.8
163.03920	9.3
166.41884	0.3
172.09705	0.9
189.12741	0.4
207.13902	0.7
210.11349	1.3
228.12509	0.9
232.11780	1.8
236.11386	0.3
236.35718	0.5
238.10730	1.9
256.11807	8.4
274.09897	0.9
274.12863	16.0
292.13974	4.8
329.22452	0.3
498.19885	0.4
498.27090	3.6
516.28088	61.5
517.28662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.2
57.03428	1.4
65.03963	2.0
67.05482	1.4
68.05005	1.7
68.99777	1.3
69.24857	3.7
69.25273	5.9
70.06602	28.8
72.08168	10.8
81.03425	2.1
81.07050	1.3
82.06570	2.2
83.04971	1.1
84.04489	3.3
84.08154	68.5
85.02922	3.6
86.09708	7.9
94.19163	1.1
95.04967	1.3
95.08599	1.2
97.02897	1.6
98.21574	2.5
100.11245	2.6
104.67562	1.1
105.07071	1.2
109.02898	2.1
111.04433	2.1
116.07109	38.4
119.04977	2.6
121.02882	71.9
123.04482	1.5
128.07077	3.2
129.10188	2.6
130.08607	1.7
135.04453	1.5
135.35030	1.2
136.07588	1.6
139.03915	22.0
145.02837	2.9
150.09221	1.2
151.03905	1.4
152.07115	1.7
163.03925	10.6
171.11343	1.3
172.57002	1.2
177.05476	1.5
178.08618	7.6
181.04996	1.2
187.07574	1.5
189.05476	2.4
191.03461	1.4
201.05525	1.9
201.09126	2.0
201.12468	1.5
203.03384	1.2
203.10667	2.1
204.10184	2.1
214.08652	1.3
217.05008	8.4
227.07053	1.5
228.10332	6.0
229.05054	1.6
230.08121	7.9
239.07053	2.5
241.05215	1.3
242.08160	2.7
244.06703	1.1
255.06664	2.6
267.06543	3.6
270.11249	2.4
281.08109	1.6
283.05954	2.5
284.09201	1.2
292.07480	1.6
293.08130	2.4
294.11636	1.4
295.05951	8.1
296.09274	3.2
297.07648	1.7
305.08142	3.6
307.06027	5.8
307.09637	8.3
308.09137	1.4
309.07587	7.6
314.10431	1.3
317.08081	5.4
317.78549	1.3
319.09726	5.1
320.06836	1.3
321.07550	9.0
321.11237	2.0
323.09061	3.7
324.12466	1.1
326.10315	1.1
331.09778	2.9
333.07626	3.5
335.09180	34.2
337.06979	1.5
337.10602	2.4
342.13522	1.4
343.09552	4.0
344.11166	1.1
346.10941	9.9
347.09103	8.2
348.12424	14.1
349.10791	5.1
353.14008	1.9
354.13513	1.6
357.11215	2.6
359.08984	1.6
361.06818	3.0
361.10724	12.5
362.12564	1.2
363.08527	2.7
364.11987	1.6
365.10342	6.9
366.13431	42.6
373.10760	2.1
375.08527	2.5
375.12534	11.9
378.13297	3.4
385.10651	3.2
387.08676	2.4
388.15320	1.8
389.10199	9.2
396.14459	14.2
401.10367	6.9
402.13354	2.4
403.11758	3.1
405.09827	1.4
406.16711	2.2
413.10095	4.7
420.14462	53.2
431.11423	6.7
432.14249	3.5
434.15839	3.4
438.15317	1.4
444.14468	16.1
450.09378	2.1
450.15558	30.0
462.15540	23.3
467.13123	1.6
480.16620	70.4
498.17645	100.0
505.39819	1.4
515.37958	3.8
516.18622	19.8
516.31647	7.3
516.38538	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	516.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.0
55.01860	0.6
55.05502	0.8
56.03113	0.6
57.03436	1.0
59.04984	0.7
67.01864	3.1
67.05510	1.5
68.99787	1.1
69.03433	18.4
69.07083	0.9
69.69090	3.9
69.69392	0.9
70.06587	1.6
71.04997	4.1
79.83091	0.7
80.04994	0.7
81.03423	34.0
81.07032	1.5
83.01367	0.9
84.08160	2.0
85.02910	9.5
87.00834	6.4
91.05470	1.1
93.07033	1.1
95.04983	0.9
97.02899	41.3
99.04454	6.8
99.98131	0.7
100.11237	1.3
105.01889	3.3
107.08629	0.8
108.04479	3.8
109.02135	1.7
109.02888	33.8
116.07117	0.8
121.06449	0.9
121.10202	0.7
122.34931	0.8
124.07543	1.4
127.03925	100.0
137.05951	1.9
145.04971	2.5
151.07582	1.2
159.07948	0.7
173.09576	0.7
177.09097	0.7
189.09135	1.4
213.03928	8.5
215.10622	0.8
231.05032	12.8
233.11769	1.1
255.10054	0.9
273.11353	0.7
299.03915	1.5
304.20276	0.8
317.05020	5.1
317.10464	1.2
335.05945	1.1
335.09378	0.9
389.68668	0.8
480.16858	0.9
498.17319	3.4
516.18976	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	516.1867
Annotation	13-Dihydrocarminomycin
Peak:m/z	Relative Intensity
54.56102	0.6
70.06599	1.1
70.08495	1.9
70.08914	1.1
81.49500	0.7
82.06558	0.6
83.18763	0.6
84.08155	18.3
85.02892	1.2
98.20843	1.0
100.26566	0.8
118.97063	0.7
119.04947	1.9
121.02882	11.0
121.06502	0.9
121.32858	0.6
140.45979	0.7
145.02870	2.0
157.84477	0.6
175.03938	1.1
177.11113	0.6
189.05507	2.1
191.03453	1.3
199.03993	1.3
203.03389	1.0
211.07231	0.7
215.07201	0.8
217.04990	9.5
221.04506	1.0
227.06966	0.7
229.05005	1.5
231.06570	2.2
235.06004	0.9
255.06575	1.0
257.08023	1.4
259.06204	0.7
267.06534	1.3
279.06644	0.9
283.06082	1.9
289.08652	0.9
292.07169	0.6
293.08090	2.2
295.06042	9.8
295.09351	0.8
296.07013	1.0
297.07565	1.5
304.07343	0.8
305.08124	2.0
306.09012	0.6
307.06070	6.7
307.09747	5.9
309.07574	12.7
313.07129	0.6
317.08218	3.4
318.11346	1.8
319.09473	1.2
320.06750	1.6
321.07526	8.7
321.11121	0.9
322.08350	2.1
323.09183	9.0
325.07141	2.3
329.08209	2.1
331.09744	2.7
333.07532	2.0
333.11179	1.0
335.09079	33.9
336.09906	2.8
337.07065	0.8
337.10724	1.0
339.08707	3.2
343.09619	0.8
347.09161	11.1
347.13138	0.8
348.12296	8.0
349.07040	1.4
349.10712	7.3
351.08795	1.0
353.10361	2.2
357.11224	1.5
359.09244	0.6
360.12607	4.1
361.06821	0.8
361.10815	2.7
363.08673	2.4
363.12585	0.7
365.10220	15.7
366.13568	4.7
371.09116	0.9
373.10788	2.1
375.08502	1.1
375.12411	7.9
377.10300	5.2
378.13425	3.3
383.11380	0.7
385.10703	1.7
388.15384	0.7
389.10217	7.9
390.13644	0.9
395.11328	2.8
396.14468	14.8
401.10260	2.7
402.13300	2.2
403.11920	3.9
405.09775	2.1
408.14606	1.3
413.10117	1.5
414.13385	1.5
416.14914	0.9
419.11099	3.5
420.14639	6.6
423.10681	1.1
426.15631	5.3
431.11359	7.0
433.13568	0.8
434.15698	0.8
437.12463	1.3
438.15576	0.8
444.14615	3.2
449.12286	5.5
450.15866	3.7
450.20874	0.7
462.15527	4.6
467.13577	2.1
480.06070	0.8
480.16605	24.1
498.17627	100.0
516.18695	60.7
517.19165	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.01888	3.3
55.05520	17.1
57.03429	6.6
57.07078	5.6
61.02917	3.0
65.03936	4.3
67.05511	80.0
69.03425	8.1
69.07077	17.9
71.04994	4.3
71.52257	3.2
73.02924	2.9
75.94032	1.9
76.31956	1.8
79.05500	59.7
81.03415	5.7
81.07066	100.0
83.05003	2.8
83.08620	11.6
85.02909	3.7
85.06535	2.5
89.37988	1.7
91.05486	39.5
93.07055	75.5
93.07645	3.7
94.07398	1.6
95.04982	5.7
95.08616	66.7
97.02900	3.8
97.06558	4.5
97.10169	4.6
97.33990	1.8
99.08092	3.4
105.07034	27.2
107.08612	42.4
109.06546	3.6
109.10165	35.7
113.09621	3.0
116.33658	1.8
117.07018	13.9
119.08599	24.6
121.06557	3.3
121.10158	41.9
123.08100	1.8
123.11739	16.8
125.09638	2.2
128.06293	2.4
129.07019	5.0
131.08589	30.0
133.10146	17.1
135.08109	3.1
135.11702	27.5
137.13246	7.1
143.08638	4.0
145.10139	22.6
147.07967	2.9
147.11694	15.7
149.13261	20.4
149.91878	1.9
151.11238	3.5
151.14905	3.8
157.10136	4.7
159.11719	16.5
161.13263	13.0
163.11224	2.7
163.14838	20.2
171.11787	2.2
173.13254	19.4
175.11137	2.1
175.14801	5.7
177.16518	4.4
183.11702	2.9
186.56058	1.9
187.14857	11.0
189.12863	2.2
199.14842	2.3
201.16411	3.4
205.16061	2.1
222.60912	1.8
233.22670	4.7
243.21141	26.2
261.22174	93.5
281.60242	2.0
285.22244	2.2
303.23297	4.2
317.24835	3.2
334.58694	2.1
335.25818	15.9
345.24307	3.2
353.26871	20.2
369.24561	4.5
387.25226	2.9
405.26306	2.8
419.27902	2.8
431.27856	2.5
437.28616	1.9
443.28253	3.6
461.29028	4.3
479.29846	2.5
481.28900	2.3
497.30899	7.4
515.16937	2.1
515.37164	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	516.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.3
55.01880	0.9
55.05516	0.6
55.28680	0.5
57.03443	0.6
57.15342	0.5
63.27321	0.4
67.01875	3.7
67.05518	0.6
68.99787	1.3
69.03438	18.9
69.32744	4.0
70.06578	1.5
71.05010	4.2
79.05499	1.2
80.05040	0.6
81.03427	34.9
81.07059	0.8
83.01304	0.7
84.08150	1.0
85.02911	8.5
87.00838	6.6
93.07038	0.9
93.55047	0.5
95.05004	0.7
97.02905	44.1
99.04469	9.8
105.01848	3.2
105.07021	0.8
108.04511	3.4
109.02892	38.1
109.82532	0.5
119.08596	0.7
124.07574	0.6
127.03932	100.0
129.01860	1.1
135.04465	0.6
137.51711	0.5
145.04973	1.7
145.10197	0.6
147.02892	0.5
151.07562	0.7
157.08386	0.5
171.02951	0.6
184.79153	0.5
189.09132	1.1
195.06601	0.7
213.03960	9.8
215.10414	0.5
231.05043	11.9
231.10202	1.1
299.04010	1.4
316.06699	0.8
317.04971	4.2
317.10327	0.8
335.05966	0.9
377.87280	0.5
468.89392	0.7
498.17700	1.7
516.18250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81576	0.4
60.70088	0.5
63.02351	0.5
65.70529	0.5
69.03424	1.1
69.63386	2.2
70.06579	0.5
79.05491	0.5
80.34470	0.4
81.03422	3.2
85.02914	2.0
89.03909	4.8
91.05473	0.7
97.02901	0.5
98.21478	0.9
99.04415	0.5
103.05442	0.6
105.07039	0.6
107.04969	1.3
109.02867	2.0
115.05473	3.2
117.03389	7.2
117.05759	1.1
120.08099	1.1
123.04421	1.4
127.03961	0.9
130.06487	0.5
131.04900	0.6
132.08104	4.4
133.05246	1.1
133.06508	0.9
134.06058	2.4
135.04416	12.8
137.02368	0.8
140.29999	0.4
143.04939	1.5
143.07294	0.7
144.07951	0.4
145.02855	12.0
146.06029	5.9
147.04422	0.9
147.06818	0.5
148.07584	24.1
160.04021	0.6
160.07591	80.0
161.05983	7.0
163.03917	100.0
164.04123	0.5
170.06021	1.3
172.07561	0.7
175.03880	1.0
181.05017	1.2
184.07608	1.5
186.05519	0.6
190.08623	1.1
191.11809	23.1
200.07068	0.9
202.08638	0.6
212.07112	0.7
222.54697	0.5
258.09204	0.6
280.09683	1.8
294.11383	1.9
304.09726	1.6
307.08105	3.0
322.10605	7.8
325.09283	3.2
353.17056	1.6
436.14130	0.7
472.16315	0.7
484.16360	1.0
515.20306	51.2
516.21521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89652	4.4
52.88496	4.5
55.01875	5.6
55.05509	17.4
57.03429	15.9
66.31378	5.2
67.05512	97.5
69.03436	7.9
69.07085	27.3
71.01344	6.1
71.04993	5.3
73.02934	5.7
79.05499	60.8
81.03401	7.7
81.07066	100.0
83.04973	6.9
83.08622	10.2
85.02926	11.8
91.05497	38.4
93.07051	78.2
95.05025	7.6
95.08617	86.5
97.06544	8.1
97.10172	9.9
98.21627	9.8
99.08091	6.1
101.97587	5.3
105.07040	34.6
107.08609	43.3
109.06518	10.6
109.09452	7.4
109.10167	54.3
117.07032	16.4
119.08579	24.4
121.10168	42.2
123.11716	16.3
129.07068	6.9
131.08583	29.3
133.10162	23.5
135.11702	26.8
143.08495	6.7
145.10141	30.1
147.11729	16.7
149.13289	17.7
159.11703	17.8
161.13278	15.1
163.14854	14.6
173.13223	17.2
177.16267	5.2
179.14246	6.6
185.13274	5.2
187.14838	11.1
199.14821	4.9
238.43210	4.9
243.21068	21.7
261.22150	60.4
303.23175	10.2
335.25833	20.7
335.36435	4.9
345.24185	15.4
353.27017	25.1
369.23898	7.7
377.27081	6.8
387.25198	6.1
405.25809	6.0
419.27960	12.0
479.29926	5.9
497.30771	19.5
515.26105	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	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
53.22281	1.6
54.86398	1.9
55.01859	3.4
55.05515	18.2
56.68311	1.9
57.03431	7.6
57.07066	6.5
61.02929	3.3
67.05508	94.7
69.03418	6.2
69.07077	15.8
69.39124	16.0
71.04980	2.9
75.04451	2.4
77.71926	1.9
78.42506	1.9
79.05495	55.5
81.03413	6.8
81.07062	100.0
83.04986	5.2
83.08631	11.9
85.02876	8.7
85.06535	3.7
87.04402	2.2
91.03954	2.5
91.05487	33.5
93.07050	78.3
95.04979	5.4
95.08614	76.3
97.02866	5.8
97.06525	3.7
97.10173	6.7
98.20749	2.6
99.08081	6.2
105.07039	29.9
107.04909	2.0
107.08600	44.8
109.02859	2.1
109.06506	5.4
109.09460	3.9
109.10155	43.3
111.08054	3.7
111.11729	2.4
113.61895	2.3
116.37425	2.3
117.07040	10.9
119.08588	25.8
121.09315	3.4
121.10157	41.3
123.08051	3.5
123.11707	20.9
125.09621	4.0
127.03919	3.2
129.07030	3.2
131.08578	25.4
133.06494	2.0
133.10141	23.3
135.11708	33.0
137.09653	3.3
137.13228	8.6
139.11143	5.0
143.08592	2.7
143.46063	2.3
145.10103	23.0
147.11679	16.8
149.13268	23.1
151.07515	2.5
151.11188	2.9
151.14726	2.6
157.10114	3.8
159.11726	19.7
161.13278	13.9
163.11180	3.3
163.14853	15.5
165.12698	4.0
165.16310	3.1
171.11665	2.6
173.13246	19.6
175.14833	4.4
177.12772	2.2
177.16357	5.7
187.14832	10.5
191.14430	2.0
201.16385	4.1
215.17966	2.6
226.35040	2.1
233.22583	4.3
243.21092	29.2
261.22171	87.0
271.91986	2.1
279.23218	5.9
289.99030	1.7
301.21802	3.0
303.23071	3.0
335.25833	26.7
345.24207	3.1
353.26852	21.3
369.24353	3.5
419.27905	3.6
443.28180	2.2
461.28888	2.5
497.31174	10.6
515.36993	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	515.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.4
53.03939	2.0
55.01873	1.0
57.03434	1.7
58.66005	0.4
61.02933	2.9
69.03432	8.0
70.63247	1.0
70.63620	0.9
71.01395	0.5
71.04992	1.2
73.02919	0.7
77.03931	0.6
79.05495	3.3
81.03423	3.8
83.59215	0.5
85.02914	23.4
87.04460	0.7
91.03956	1.3
91.05490	3.4
91.73495	0.4
93.07003	0.4
95.04977	0.8
96.00540	0.5
97.02900	8.7
98.21471	0.5
99.04471	0.9
103.05486	0.6
105.03394	1.2
107.04932	0.7
109.02886	2.3
115.03944	0.6
115.05460	0.9
119.04951	2.1
127.03905	4.0
129.05556	0.5
131.04956	1.0
132.29990	0.5
135.04430	100.0
136.05229	0.9
137.06044	0.7
141.07013	1.0
145.04984	4.7
145.06512	0.9
146.07307	0.5
147.04381	2.6
149.02357	0.5
149.05997	14.2
149.09656	0.6
151.03897	0.5
151.07552	8.6
152.07092	0.5
157.06514	2.0
158.07295	1.8
161.06004	1.2
165.09114	0.6
169.06493	0.7
171.08133	0.9
172.08853	1.6
173.06056	2.3
174.06734	0.6
175.07524	0.8
177.05452	0.5
177.09119	2.0
184.08841	1.3
185.06030	2.2
187.07561	1.8
188.08360	4.8
189.09137	4.7
195.06558	1.6
195.08257	0.5
199.07616	1.5
200.08354	1.3
201.09126	16.0
203.07071	0.6
203.08865	0.9
203.10684	5.6
207.08089	0.6
213.09143	1.3
215.08818	0.6
215.10686	16.0
215.12776	1.0
216.07901	1.0
219.08076	1.8
230.07443	0.5
231.08087	1.2
231.10175	10.6
233.09714	2.6
234.10379	0.5
235.07613	1.4
245.09700	0.9
246.10468	1.1
247.07594	2.0
249.09192	1.3
251.10756	0.6
261.09140	3.8
262.10043	2.3
263.07034	0.9
263.10565	0.5
265.08575	1.4
265.12262	1.4
268.07339	0.6
273.09238	1.0
274.09900	1.4
275.10681	0.6
276.07986	0.5
276.11279	0.7
277.08661	1.9
277.12277	1.8
278.09317	1.3
279.10474	0.5
279.13892	0.7
283.09717	1.3
289.08621	1.8
290.09372	0.9
291.10172	2.3
292.10974	2.5
293.08145	1.5
293.11786	1.8
294.09210	0.5
295.09613	0.7
303.10214	1.4
304.11078	2.3
305.08435	1.0
305.11557	3.4
306.12674	1.0
307.09821	1.4
307.13208	0.8
308.10428	5.4
309.11145	1.6
310.04773	0.5
316.13800	0.6
319.09708	0.5
320.10519	1.2
321.11398	0.5
322.12091	1.0
323.12787	9.8
325.14572	0.5
335.08728	0.6
335.12799	16.8
337.14371	18.0
338.11502	8.5
353.13855	30.8
405.24188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01867	1.3
55.05515	4.5
57.03442	4.2
57.03681	0.9
61.02924	1.9
67.05503	6.5
69.03429	2.6
69.07070	2.8
69.34933	7.5
70.06582	3.7
71.04956	1.4
79.05485	8.1
81.03423	74.8
81.07049	6.4
83.04969	3.0
83.08160	1.3
83.08627	18.7
84.08156	5.7
85.02908	2.6
86.09713	1.4
91.05496	11.4
93.07059	5.7
95.04371	1.7
95.04968	23.1
95.08590	2.9
97.02888	3.3
97.71317	0.9
98.21523	1.9
105.07037	9.3
107.04951	5.7
107.08601	2.9
109.06504	1.9
111.04422	1.5
111.08088	7.8
115.05401	1.2
116.07107	1.4
119.04945	1.0
119.08607	9.7
121.06547	1.5
121.10133	4.0
123.04420	2.0
123.08060	1.2
125.09579	1.4
128.07050	2.2
129.07018	5.3
131.08604	7.3
132.88425	0.9
133.06487	4.1
133.10139	3.4
137.09633	1.3
142.07755	2.1
145.10158	1.2
147.04422	1.2
147.08078	2.7
147.11678	7.2
149.09634	5.4
151.03862	1.3
151.43867	1.0
157.10126	10.2
163.11197	1.6
164.10747	1.4
165.12691	1.4
175.11205	11.5
192.10208	1.6
193.12256	71.7
211.13312	6.6
235.13118	2.1
259.13327	1.3
267.13034	2.0
267.15924	54.4
285.16986	100.0
301.14377	1.6
309.17004	13.6
351.18222	1.8
363.17978	3.5
375.18094	2.3
393.18945	2.5
411.20099	3.2
429.21170	6.0
514.16876	2.0
514.30505	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44981	0.6
55.05517	6.6
57.05805	0.9
57.70649	0.6
58.22612	0.6
59.76374	0.6
69.07073	4.2
69.70196	1.4
69.70604	2.6
70.06596	12.4
72.08160	100.0
84.08139	4.1
85.02940	0.7
86.09710	38.2
88.04015	1.1
93.28718	0.6
98.09702	1.5
105.07038	0.8
116.03456	1.0
116.07103	15.5
124.04001	1.2
124.07620	1.6
128.07138	1.9
129.10254	0.8
130.08669	1.1
136.07623	0.8
140.14401	1.3
141.06622	0.7
142.08658	1.6
143.11806	3.6
145.02946	0.7
157.13370	11.2
157.14630	0.7
159.07649	3.1
165.05399	0.7
169.09732	18.6
177.05531	2.7
185.12889	1.4
187.07236	2.8
187.10789	25.9
215.10280	76.7
229.15532	2.9
240.13507	1.1
258.14551	2.4
286.13995	81.3
287.14389	1.2
300.15674	4.9
300.18976	1.1
353.21854	6.8
371.22897	32.8
381.21347	0.9
399.22409	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3064
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03957	4.4
55.01863	2.4
55.05298	1.7
55.05514	9.4
55.91199	1.7
56.53120	1.6
57.03435	5.6
57.07080	2.7
60.24429	1.6
61.02938	10.0
65.03943	2.9
67.05516	28.2
69.03433	5.8
69.07072	8.9
69.57764	12.9
70.06599	2.0
73.02924	4.4
79.05505	31.5
81.03421	5.6
81.07069	30.8
83.08624	6.0
85.02917	11.3
85.06581	2.6
87.40475	1.9
91.03980	6.2
91.05482	33.4
93.07055	37.7
95.04985	3.2
95.08616	21.7
97.02898	6.6
97.06537	4.3
98.21540	3.5
99.08088	3.1
105.07047	26.9
107.08598	25.6
109.10207	11.5
117.07031	6.7
119.08598	21.9
121.10149	22.1
123.08048	2.6
129.05441	2.0
129.07036	7.1
131.08585	18.3
133.10149	26.2
135.11726	21.6
143.08620	6.4
145.10139	11.0
147.11726	21.6
149.13263	13.5
151.07570	2.8
155.08516	2.0
157.10129	5.6
159.11708	11.4
161.09673	2.2
161.13280	20.6
163.11203	5.3
163.14870	5.3
171.11760	11.7
173.13290	7.9
174.76262	2.4
175.14853	9.4
179.14377	6.0
185.13252	5.2
187.14876	2.1
199.14839	4.1
212.45703	1.9
221.15546	2.5
231.10291	2.4
231.21106	4.5
241.19551	16.6
259.20630	46.7
277.21689	7.5
333.24323	7.7
349.23761	2.9
351.25339	100.0
363.76321	2.1
367.22531	2.4
375.25168	2.5
385.23761	2.6
441.26755	4.9
459.27872	2.7
477.28314	3.4
495.29260	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	513.3067
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
50.80149	1.5
53.03941	3.2
55.01869	1.7
55.05511	8.3
57.03431	4.9
57.07070	2.0
61.02934	10.5
64.19142	1.2
66.51124	1.3
67.05511	22.9
69.03418	4.8
69.07077	7.1
70.02522	6.5
71.05000	2.8
71.08627	1.2
73.02912	4.1
79.05074	2.2
79.05500	31.6
81.03420	3.7
81.07057	26.1
83.08620	4.8
85.02919	13.2
91.03934	5.0
91.04982	1.9
91.05494	25.2
93.06490	2.8
93.07050	42.5
93.07920	2.1
95.04964	4.1
95.08624	17.7
96.43198	1.3
97.02888	6.9
97.06552	3.2
97.10147	2.3
99.04428	2.2
105.07041	27.3
107.08615	22.2
108.13492	1.2
109.02865	1.6
109.06555	1.4
109.10186	9.7
111.04395	1.5
111.08105	2.2
117.07030	8.1
119.08598	26.8
121.06475	1.7
121.10157	22.0
123.08060	2.2
123.11677	1.9
125.09619	1.8
127.03911	2.2
128.06165	1.6
129.06993	7.5
131.08578	14.1
133.10150	24.5
135.08110	2.2
135.11729	16.1
143.08591	8.6
145.05090	1.7
145.10147	12.4
147.11700	21.6
149.09573	2.6
149.13286	13.7
157.10120	8.2
159.11684	12.9
161.09674	3.1
161.13269	21.0
163.11134	2.0
163.14827	6.5
169.10185	1.3
169.67043	1.5
171.11754	8.6
173.13254	8.5
175.11145	1.9
175.14857	11.9
177.12799	1.6
185.09618	1.7
185.13281	9.3
187.14836	2.1
189.12709	2.4
191.14195	1.6
197.13232	1.5
199.11259	1.5
199.14838	5.1
200.40897	1.2
213.16165	1.5
217.19522	4.3
231.17502	2.5
231.21085	4.6
241.19537	19.8
259.20596	42.7
261.22058	1.3
277.18704	1.8
277.21637	8.3
279.13815	5.5
285.22250	1.5
295.80884	1.4
321.14709	2.3
333.24228	8.4
349.23688	4.1
351.25333	100.0
363.25272	3.3
367.22443	1.8
375.25336	2.9
417.26312	1.6
423.23492	1.8
441.26410	4.7
459.27402	4.4
477.28387	4.2
495.29367	4.9
513.30566	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06580	0.7
62.57790	0.6
70.97183	1.5
74.02437	1.0
96.80902	0.7
115.05450	1.3
117.07008	0.7
118.06548	15.0
130.06541	1.3
132.08089	5.3
142.06531	1.4
143.07259	1.3
144.08076	12.4
146.06017	57.2
159.09183	5.0
160.07518	0.7
162.12814	0.7
165.50845	0.6
170.06046	3.6
188.07072	100.0
205.09735	45.0
205.11745	1.3
279.67474	0.7
358.80405	0.8
430.79630	0.7
445.63702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	0.5
56.47281	0.3
58.06603	100.0
61.91726	0.4
63.30302	0.4
67.54931	0.4
69.03434	0.6
69.73760	0.9
69.74149	0.8
76.31571	0.4
81.03439	0.9
85.02914	0.7
91.05489	1.7
107.04939	3.0
115.05487	0.8
117.05785	0.5
117.07058	0.8
119.04934	4.1
121.02856	0.6
132.08070	0.7
132.14915	0.4
133.06430	0.6
134.06032	0.6
145.06508	2.8
146.05984	2.0
147.04419	20.3
160.07585	13.7
170.06021	0.9
181.05005	0.8
184.07622	1.4
200.07037	0.7
205.13399	6.3
212.07033	0.8
225.06682	0.5
278.11798	2.5
288.10242	0.7
291.08417	0.8
306.11243	3.9
351.10248	0.5
367.18805	0.6
393.10721	0.7
450.15131	0.6
459.12534	0.4
477.12973	0.5
495.13916	1.7
513.22357	47.0
514.22375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.01878	1.2
55.05514	2.5
57.03424	1.0
58.06603	2.2
59.05008	1.8
61.02917	1.9
64.70322	0.8
65.66327	0.8
67.05502	1.4
68.05031	1.2
69.03442	3.7
69.07074	2.2
70.06587	2.4
70.67776	2.2
71.04999	12.4
73.02916	1.3
73.04969	0.7
73.06561	2.8
79.05492	4.1
81.03410	3.0
81.07059	18.0
84.08153	1.7
85.02912	28.0
86.09711	0.9
91.03959	1.6
91.05489	1.5
93.07053	12.2
95.08617	2.2
97.02912	6.8
97.06518	1.7
97.10176	0.8
99.04493	1.5
105.07047	1.5
106.02945	0.8
107.05038	0.8
107.08609	8.1
109.02889	2.9
109.10162	2.6
114.05549	3.7
119.08565	1.3
124.03975	6.9
127.03239	0.8
127.03960	7.2
128.07083	2.2
135.11700	20.0
137.05994	1.0
145.04988	16.2
147.04506	1.3
151.03961	1.7
153.12759	100.0
155.10657	0.9
161.06146	0.7
163.06042	9.0
163.07446	1.0
171.13828	0.8
256.08270	1.0
268.08319	1.1
285.57745	0.8
318.11691	1.0
325.11334	3.4
350.04510	0.9
444.28366	0.8
468.28888	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	512.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80922	0.4
53.03954	1.2
55.01868	1.0
55.05509	1.2
56.05049	0.6
57.03448	2.6
58.06613	5.4
59.05000	1.2
60.04535	4.8
61.02936	3.2
64.11109	0.5
64.24499	0.5
67.05495	1.5
67.83259	0.5
69.03154	0.5
69.03445	6.8
69.07060	1.6
70.06593	1.6
71.04996	10.3
71.53204	0.6
72.08134	1.0
73.02906	1.1
73.06556	2.7
73.76064	0.4
79.05498	3.8
81.03439	2.4
81.07066	14.7
81.91911	0.6
83.05006	1.0
83.08601	0.5
84.08151	2.1
84.36800	0.5
85.02913	39.5
86.09683	0.7
87.04444	0.9
91.03957	1.9
91.05465	2.8
93.07054	10.1
95.04960	0.7
95.08611	2.9
97.02898	10.6
97.06551	1.4
98.05982	0.5
99.04449	2.2
101.02375	0.5
105.07029	1.3
106.02895	1.4
107.08612	7.5
108.36332	0.5
109.02887	3.7
109.10150	2.2
111.08097	0.9
119.08585	0.6
121.06523	0.6
121.10134	0.7
123.11696	0.5
124.03978	4.0
127.03935	10.3
128.07109	1.8
131.08499	0.6
133.10074	0.7
135.04338	0.6
135.10699	0.9
135.11710	16.5
135.12729	1.0
145.04979	19.4
145.10136	0.6
147.04431	3.5
147.09155	0.7
147.11716	0.8
149.09613	0.9
151.03934	1.4
153.12761	100.0
154.10425	0.5
160.07614	0.9
163.06041	9.2
165.09177	0.5
166.08670	0.7
167.07097	0.5
171.13831	0.8
181.05009	1.3
182.05246	0.6
191.08171	2.7
207.06567	1.0
241.07422	0.8
246.18614	0.5
247.65402	0.5
250.07208	0.6
263.09222	0.7
264.12332	0.9
268.08252	2.4
278.24911	0.5
307.12793	1.9
325.11301	2.6
330.53278	0.5
331.61053	0.5
332.27939	1.4
350.13464	2.4
350.28958	4.6
443.97757	0.6
512.20752	1.6
512.34650	3.5
513.22339	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	512.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
57.03435	0.3
58.06603	0.4
66.66539	0.3
69.03436	1.4
69.89212	0.2
70.06607	1.6
70.10875	1.1
71.61992	0.2
80.05032	0.3
81.03412	0.4
83.01309	0.2
84.04508	0.3
84.08138	0.4
85.02927	1.5
91.05484	0.4
91.34277	0.2
92.04482	0.4
92.05016	5.0
95.01360	0.2
97.02908	0.5
99.04469	0.5
103.05464	0.3
106.02923	1.0
108.04482	1.3
108.56680	0.2
109.02850	0.4
116.07113	0.3
117.03412	0.4
119.04968	0.5
124.03960	0.3
125.06058	0.2
127.03944	0.7
135.04431	0.6
136.03946	6.9
136.04904	0.3
137.06004	0.8
145.02911	0.5
147.04425	0.8
149.06027	0.3
151.04051	0.3
154.05008	100.0
155.05336	0.4
158.09439	0.3
163.03918	3.0
164.04236	1.1
167.07021	0.4
175.11934	0.4
177.05463	0.5
181.04999	0.3
207.25412	0.3
267.01691	0.4
268.08109	0.3
280.08197	25.9
281.08417	0.3
298.09241	9.2
306.98505	0.3
398.12195	0.3
464.15604	7.1
472.85974	0.3
476.16492	0.3
512.20959	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	512.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61745	0.7
51.85085	0.7
53.03941	2.8
55.05508	5.0
58.42662	0.8
64.91498	0.9
65.03943	1.5
67.05515	11.2
69.03420	1.8
69.07063	1.8
70.06589	1.7
70.65327	1.1
70.65650	1.6
71.07372	4.1
72.08162	29.0
79.05502	67.3
81.03443	4.2
81.07063	14.7
83.05009	1.1
87.00819	0.8
91.05488	31.5
93.07056	11.3
95.04977	7.9
95.08609	2.7
97.06543	1.6
98.06060	1.6
99.58840	0.8
103.05396	0.8
105.04542	0.9
105.07046	30.7
107.04984	5.1
107.08604	48.9
109.06528	2.2
117.06997	1.7
119.06046	2.1
119.08595	10.6
120.05708	0.8
121.10120	1.2
124.07609	1.2
129.07004	2.0
131.08559	4.9
133.06508	4.7
133.10155	10.7
139.09930	12.2
142.07791	1.8
145.10147	1.5
147.08084	2.6
147.11696	38.7
149.13257	7.1
152.10698	1.7
157.10159	3.0
175.11197	6.1
246.18558	100.0
264.19614	65.9
318.91409	0.8
367.99243	1.0
461.69135	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57139	0.1
55.05509	0.7
55.95361	0.1
57.07067	0.4
58.02958	0.2
58.06584	0.2
64.77110	0.1
67.04237	0.3
67.05489	0.5
69.07072	0.9
69.26330	0.3
69.26732	1.1
71.08620	0.4
77.03883	0.2
78.69975	0.1
79.05464	0.1
81.07064	0.6
83.08617	0.4
84.27956	0.2
91.05486	0.2
93.07041	0.2
95.08617	0.7
97.10170	0.4
103.05461	0.3
105.07062	0.8
106.06544	0.1
109.10186	0.2
115.04694	0.3
115.05466	4.0
117.05759	1.9
117.07012	0.2
118.06573	0.3
120.08107	0.4
123.11765	0.2
130.06523	0.3
131.05029	0.2
131.07292	0.2
132.08101	6.2
133.05270	0.4
133.06505	1.1
134.06021	0.6
142.06519	0.8
143.07336	0.4
146.05038	0.2
146.06006	1.1
148.07585	9.7
158.06096	0.1
159.06773	0.7
160.07591	100.0
161.07941	0.5
174.05479	0.4
186.09145	0.2
186.16635	0.2
188.07047	0.3
191.11809	11.6
256.26349	0.2
283.26480	0.4
352.35739	0.9
378.37198	1.0
468.38477	2.9
480.38354	1.8
511.42633	16.5
512.43390	0.2
512.50427	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76919	0.5
53.03938	1.6
55.01877	0.9
57.03408	0.7
58.06590	0.9
69.03426	1.7
70.00791	1.1
70.01181	1.4
70.06580	1.6
73.02909	0.6
77.03899	0.5
78.03472	2.8
78.03843	0.5
78.04718	0.9
79.05489	1.8
80.05034	0.8
81.03422	2.8
84.08134	0.9
85.02938	2.5
89.03900	1.4
91.05486	5.3
93.07046	3.1
95.04980	1.6
97.02895	1.4
99.04441	0.7
103.05486	6.0
105.07025	0.6
106.02934	11.5
106.04088	1.2
107.04987	3.8
109.02861	2.6
109.06552	0.9
117.03395	2.3
119.04939	1.4
121.06519	13.0
123.04473	3.7
124.03969	30.7
127.03903	1.5
128.07106	1.4
131.04938	9.2
133.02853	1.6
134.03648	1.6
135.04431	1.6
137.06004	10.0
140.04684	2.9
140.71690	0.5
145.02844	1.7
146.06001	0.7
147.04411	1.2
148.05226	2.6
149.06000	19.0
151.03899	1.1
152.04727	1.2
155.07010	2.9
159.04442	5.2
160.07538	0.6
163.03929	1.6
163.07524	0.7
165.05521	1.3
166.06274	0.6
167.07057	100.0
168.07442	0.7
176.04648	1.1
177.05492	43.6
181.08618	1.0
191.07056	2.0
192.51726	0.6
194.05812	1.3
195.06544	1.3
197.08197	2.5
201.12923	0.5
203.42062	0.4
209.06068	1.3
209.08110	29.0
227.09167	56.7
250.07126	6.6
268.08185	26.8
268.11182	0.7
464.15591	9.0
494.16589	5.3
512.11285	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.3
55.05513	7.6
57.07078	8.6
60.08154	1.2
65.03932	2.5
67.05516	17.9
69.03432	2.4
69.07066	3.6
69.31506	1.1
70.01103	3.2
70.01511	2.6
70.06581	1.7
71.07375	2.9
72.08158	27.3
74.09722	7.1
77.22010	1.2
79.05499	63.8
81.03416	8.8
81.07061	29.7
83.04994	1.4
86.09702	4.3
90.41706	1.0
91.05487	33.8
93.07051	18.3
95.04988	9.4
95.08610	10.1
98.06064	4.2
105.04523	1.8
105.06323	1.5
105.07037	38.0
107.04962	9.0
107.08600	49.5
109.06525	4.6
109.10152	2.4
115.05431	1.5
116.10726	1.8
117.07027	5.3
119.08589	24.4
120.23859	1.3
121.06488	1.9
121.10140	6.3
125.00011	3.6
126.09141	1.4
129.07037	7.5
131.08572	15.1
133.06485	8.6
133.10146	28.6
139.09898	6.5
141.06955	1.9
142.07817	3.6
143.08559	5.8
145.10120	10.5
147.08052	5.6
147.10539	1.3
147.11705	22.4
149.13297	9.0
152.10683	3.9
154.12265	5.0
155.08517	3.9
155.14359	3.0
156.09322	2.1
157.10115	12.8
159.11728	4.2
169.10176	6.4
171.11732	4.2
173.13316	2.3
175.11191	13.3
181.10162	3.0
183.11751	2.8
184.07381	11.8
184.08842	2.0
185.07712	4.2
185.09601	1.3
185.13338	6.1
195.11749	2.2
196.12401	1.2
197.13295	4.8
199.11084	1.5
199.14865	1.7
208.16959	1.5
209.13184	2.5
221.13287	1.8
223.14813	1.9
225.16345	2.6
235.14847	2.5
246.18536	38.1
248.20134	24.5
251.14359	1.7
253.15959	2.9
264.19632	5.3
281.11453	1.1
281.19012	1.5
293.22363	1.4
321.22162	3.2
349.21677	2.5
352.88174	1.3
422.30615	7.3
475.36743	2.9
493.37927	100.0
511.39206	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01870	1.9
55.05510	0.9
65.03948	1.4
66.04732	0.5
67.05509	2.1
69.07076	3.4
69.10742	0.6
69.32211	0.9
69.32612	3.8
72.08154	2.0
74.09710	1.0
75.29691	0.5
79.05498	5.0
81.02934	0.6
81.03422	11.4
81.07049	3.4
91.05492	3.9
93.03392	1.3
93.07055	2.7
94.04221	1.0
95.04981	1.7
95.08599	0.9
95.58464	0.6
105.07041	3.0
107.04977	1.3
107.08622	4.7
108.02108	2.2
109.06529	1.6
111.04433	1.3
115.05473	3.1
117.07040	2.4
119.08595	1.2
122.03662	2.3
125.06010	1.2
128.06218	3.2
129.07016	11.5
131.04970	1.8
131.08583	1.4
133.06528	0.8
133.10167	1.5
135.04454	0.6
137.05992	53.6
141.05487	2.1
143.04926	5.3
145.06520	2.0
147.08066	2.6
147.11729	1.6
149.06015	0.9
149.13301	0.9
151.03926	100.0
151.05023	7.6
152.10783	0.7
153.05499	2.9
157.06506	12.8
159.04390	0.8
160.05199	2.8
161.05986	2.9
161.09657	2.3
163.07547	0.8
165.05553	3.3
171.04414	4.6
173.05992	1.1
174.06807	1.8
175.07588	5.5
176.04797	1.2
177.05501	0.8
177.09067	0.8
187.07593	1.8
188.04716	1.7
189.09123	13.4
191.07033	7.9
191.08562	1.2
203.07053	48.6
205.08607	10.0
215.07002	2.7
218.99028	0.6
219.08002	1.4
221.08098	9.3
233.08084	12.1
235.07568	1.1
243.06439	0.7
246.06720	1.1
246.18631	3.5
247.07530	1.8
248.20149	2.3
249.09044	1.0
251.09019	1.2
261.09140	1.5
263.07074	0.9
264.07761	1.1
264.19620	0.9
277.08667	1.4
279.10229	3.4
284.10480	0.6
285.07687	1.1
286.08316	3.6
289.08600	1.3
292.07330	1.1
295.09665	2.5
296.10257	0.6
297.11185	1.2
306.08826	0.8
307.09753	4.1
309.11115	1.4
311.12863	1.9
312.09863	1.0
321.11276	4.5
327.12271	10.6
339.12299	13.1
345.13300	2.3
357.13376	16.1
375.14487	5.4
408.14627	0.7
425.19821	2.2
493.37866	4.7
496.13156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21555	0.3
52.57993	0.3
55.05514	0.5
56.05029	1.1
57.03442	0.7
57.07077	3.7
58.06585	1.6
59.07384	0.4
60.08170	18.0
67.05496	1.1
69.07075	0.9
71.07381	6.8
71.08640	2.5
71.32005	0.6
80.97382	0.4
81.07067	1.4
83.08617	0.6
85.10197	1.1
86.09713	50.6
92.18114	0.4
95.08591	1.8
97.10146	0.3
98.98474	4.1
104.10754	100.0
108.63045	0.3
109.10175	0.7
111.13689	0.3
117.48698	0.3
123.11770	0.4
125.00018	29.7
131.33092	0.3
133.70154	0.3
135.04457	0.4
143.01106	0.4
149.02391	0.5
151.03961	0.4
157.06372	0.4
163.01602	0.4
181.02646	0.3
184.07356	98.2
258.11066	1.2
290.32941	0.3
297.15060	0.4
313.27438	1.2
327.28992	2.0
337.27921	0.4
338.27902	0.7
391.00781	0.4
492.29205	0.2
492.34515	10.0
510.35602	43.3
519.26349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67181	0.6
55.01871	1.3
55.62273	0.6
61.98888	0.7
63.48524	0.5
65.03939	1.5
65.47654	0.6
66.57965	0.7
67.05493	1.3
68.46383	0.6
69.07084	4.0
70.06339	2.7
76.95975	0.7
81.03426	10.5
81.07054	1.0
86.55521	0.6
91.05496	1.7
93.03419	0.8
94.04214	0.7
95.04978	0.9
103.05502	0.8
107.05027	0.7
108.02103	1.7
109.06523	2.0
111.04453	1.3
115.05455	3.0
117.07028	1.3
122.03670	2.0
123.04417	0.7
125.06038	1.6
128.06198	2.1
129.06053	0.7
129.07018	12.3
131.04953	2.3
131.08551	0.6
135.04446	5.6
136.04773	2.0
137.05989	56.7
138.06323	0.7
141.05463	2.2
143.04930	4.7
145.06517	1.8
147.08072	2.8
148.91103	0.6
149.02386	1.0
149.06039	1.2
151.03922	100.0
151.05023	7.9
151.07452	1.5
151.18465	0.6
153.05490	2.8
155.04866	0.8
157.06509	12.1
159.04549	0.6
160.05252	3.2
161.05983	2.2
161.09647	1.8
163.07610	1.2
165.05542	2.6
171.04391	3.9
173.06018	1.9
174.06668	1.7
175.07571	6.4
176.04836	0.6
177.05444	0.7
177.09157	1.4
187.07590	2.7
188.04709	2.6
189.09143	13.4
189.10777	1.2
191.07051	9.4
191.08589	0.9
201.05609	0.7
203.07047	52.1
204.07356	0.7
205.08621	10.4
205.12311	1.8
215.06995	3.0
219.08112	2.2
221.08122	9.1
233.08087	13.8
235.07605	0.9
241.97379	0.7
243.06572	1.4
246.06763	1.1
247.07603	2.2
251.09143	1.8
261.09192	2.3
263.07059	2.0
264.07788	1.9
267.10211	1.2
269.08051	0.7
277.08649	1.3
278.09619	0.6
279.10236	3.6
284.10349	0.9
285.07727	1.2
286.01035	0.7
286.08371	3.3
289.08676	1.5
292.07367	0.9
293.08228	0.6
295.09711	2.3
297.07596	0.8
297.11145	1.5
306.08972	1.2
307.09778	4.5
309.11310	1.0
311.12839	1.7
312.10052	0.9
312.51492	0.8
321.11288	5.2
324.06223	0.8
327.12299	10.6
339.12296	13.7
345.13162	2.9
357.13376	15.9
375.14490	6.5
425.19537	1.8
443.20441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3559
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05506	0.8
56.05029	1.2
57.03447	0.6
57.07085	2.7
58.06608	1.4
59.07383	0.4
60.08167	16.0
65.03922	0.4
67.05497	1.3
69.07058	0.8
69.45441	1.1
69.45864	1.2
71.07376	5.9
71.08634	1.9
79.05471	0.4
81.03407	0.7
81.07056	2.1
83.08604	0.6
85.10175	0.9
86.09710	50.3
95.08599	2.1
97.10153	0.5
98.98473	3.8
104.10749	100.0
107.08626	0.3
109.10160	1.2
117.20883	0.3
125.00011	25.9
129.07030	0.3
130.07413	0.4
135.04424	1.4
136.04770	0.4
137.05984	1.2
137.13326	0.3
137.78111	0.3
138.06389	0.3
149.02344	5.7
149.03497	0.5
150.02675	1.3
151.03958	0.8
152.04193	0.4
157.06470	0.5
163.01572	0.7
184.07349	96.9
189.09247	0.4
201.05501	1.0
202.05846	0.6
203.07040	0.8
204.07419	0.5
219.06517	0.6
220.06981	0.4
243.45781	0.3
258.11017	1.0
325.10477	0.4
326.11176	0.6
327.28983	1.8
331.07474	0.3
338.11258	0.7
338.27679	1.4
356.12103	0.4
433.27567	0.3
434.21735	0.3
490.01886	0.4
492.34500	8.7
510.35568	43.1
511.35550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79959	2.9
57.07065	3.0
67.05511	7.0
69.07071	7.5
70.42803	11.3
75.19408	3.6
79.05495	9.2
81.03400	3.7
81.06588	5.8
81.07066	100.0
83.04991	3.1
89.06028	2.9
95.08623	23.6
97.06393	4.1
98.21404	5.1
105.07040	3.6
115.05458	7.8
117.07029	3.2
129.07013	8.1
131.04968	4.6
135.04437	61.6
137.05978	30.1
137.13260	32.2
143.04926	17.5
145.06482	12.3
149.02354	8.1
151.03972	4.7
157.06497	5.7
160.05193	5.2
161.06009	4.7
163.07507	3.4
165.30255	3.6
173.06024	53.5
175.07498	23.8
185.05989	27.5
187.07570	13.3
189.09140	4.0
197.22197	3.1
203.07039	23.9
205.08844	3.7
233.08054	13.6
273.89258	3.5
321.11472	3.9
328.40985	4.6
339.12473	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	510.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.4
57.07083	3.6
58.06591	1.0
61.02905	0.7
65.03925	1.4
67.05489	0.8
68.05039	0.6
70.06599	12.8
71.08601	1.5
71.52249	0.7
72.08126	2.0
84.08119	1.9
85.10192	0.5
86.09716	2.2
88.07624	2.2
89.06032	0.4
91.05445	0.5
102.09167	1.1
103.92459	0.5
105.06953	0.5
114.09161	0.6
121.02957	0.7
121.10152	0.5
132.10231	5.2
137.68625	0.5
146.11786	5.8
149.02361	45.2
149.03433	2.4
173.11548	0.5
188.26152	0.5
193.04985	46.0
212.23737	1.4
237.07599	63.5
238.25314	1.0
256.26392	2.4
281.10245	1.9
290.45459	0.4
300.28998	25.9
385.51535	0.5
448.30673	2.2
510.34320	100.0
511.34671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.01859	2.9
55.05500	1.8
57.03431	3.1
58.06603	11.7
59.05010	11.6
60.04514	3.4
61.02924	5.3
61.03415	0.9
67.05518	5.3
69.03435	14.9
69.07070	1.8
69.55711	6.9
70.06589	2.7
71.04997	17.1
72.08162	1.0
73.02915	2.6
79.05494	7.1
81.03423	5.5
81.06590	1.6
81.07063	27.4
85.02912	72.2
87.04463	1.0
89.99676	1.0
91.03949	3.8
91.05471	4.2
92.93268	0.9
93.07059	13.9
95.04959	3.3
95.08608	4.2
97.02901	20.0
99.04433	4.2
105.07035	6.6
107.08616	12.2
109.02876	6.3
109.06532	9.2
109.09464	1.8
109.10167	19.9
111.08092	9.5
120.08089	0.9
121.10152	3.7
123.08060	1.7
123.11722	33.2
124.03952	3.5
127.03922	18.3
133.10146	12.7
135.08047	1.6
135.11732	1.0
144.04411	1.2
145.04974	27.0
147.04355	1.7
151.03908	1.7
151.11192	100.0
153.12779	2.3
163.06039	10.6
167.07069	1.2
169.12259	36.6
246.14943	1.0
247.06386	1.0
268.08173	2.2
295.15442	3.7
303.05017	9.6
313.16406	8.3
321.69052	1.2
325.11411	8.4
330.26144	1.3
331.17542	19.0
348.27399	3.8
365.84335	1.1
411.94174	1.2
510.22693	1.8
510.32657	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62933	1.4
53.03942	4.6
55.01872	2.9
55.05509	1.7
57.03424	3.5
57.07086	2.3
59.05004	11.3
61.02943	8.1
65.03941	1.5
67.05514	8.3
69.03439	19.7
69.07053	1.6
70.06593	2.8
71.04992	16.1
71.10689	2.0
71.11015	2.0
73.02911	1.4
79.05466	8.0
81.03423	7.3
81.07066	26.5
84.08147	5.7
85.02910	81.7
87.04472	1.8
91.03939	3.0
91.05493	4.1
93.07052	14.8
95.04961	2.2
95.08602	4.4
97.02910	19.4
99.04454	6.1
101.14415	1.4
105.07018	7.0
105.51877	1.5
107.08607	14.8
109.02879	7.7
109.06535	11.0
109.10171	21.4
111.08104	8.4
123.08121	2.8
123.11723	33.0
124.03980	3.2
125.09545	2.0
127.03925	21.3
131.08533	1.8
133.10155	15.5
145.04984	34.3
147.08151	1.9
151.11198	100.0
153.12715	2.0
163.06029	14.1
169.12259	32.6
209.15349	2.6
212.14580	1.4
227.16422	2.4
265.65372	1.5
295.15414	6.2
313.16504	11.5
325.11295	7.5
331.17523	17.3
510.25992	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	510.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82259	0.9
53.03945	2.9
55.01863	2.1
55.05499	3.2
57.03420	3.8
57.07077	1.2
58.06608	11.8
59.05010	12.4
59.23260	1.0
60.04514	3.6
61.02932	7.5
62.56054	0.8
63.26485	0.9
64.10088	0.9
65.03934	1.2
67.05509	6.4
67.48693	0.8
69.03434	19.2
69.07047	1.5
70.06599	2.4
71.05000	15.0
71.53351	1.5
73.02901	2.3
79.05500	10.6
81.03434	7.0
81.07064	33.1
83.04993	1.1
83.08627	1.2
84.08127	1.2
85.02912	88.5
85.06541	1.0
86.09728	1.1
87.04462	2.1
87.22109	0.9
91.03981	5.0
91.05482	6.9
93.07050	17.1
95.04993	4.8
95.08623	5.0
97.02902	22.1
97.06573	1.4
99.04453	4.2
105.07050	6.8
106.02902	1.9
107.04977	1.4
107.08599	13.8
109.02893	7.9
109.06532	9.3
109.10166	25.5
109.10918	1.2
111.04451	1.1
111.08088	10.3
119.06086	1.0
119.08601	3.0
121.06534	0.9
121.10161	4.2
123.08098	2.5
123.11714	35.2
124.03962	4.3
127.03927	19.2
133.06516	1.0
133.10139	17.1
135.11693	1.0
136.07620	1.1
137.05991	1.4
144.04448	2.1
145.04971	26.7
145.10159	1.3
147.04417	1.7
147.08003	1.1
149.09671	2.5
151.03915	2.4
151.11194	100.0
152.11559	1.4
153.12750	2.7
156.57011	0.9
163.06010	10.9
163.11188	0.9
167.07022	1.6
167.10663	1.1
169.12256	33.7
182.08179	0.9
268.07938	1.3
289.09293	0.9
295.15268	4.2
303.05045	14.6
303.11505	0.9
313.16498	7.8
325.11304	6.2
330.26385	2.3
331.17502	19.1
337.10657	1.0
348.27374	2.5
403.69742	1.0
510.22644	2.8
510.32883	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	510.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00766	0.6
53.03946	1.6
55.01874	1.0
55.05514	1.6
57.03435	0.8
58.06591	1.6
59.04993	1.7
65.03928	1.0
67.05492	3.1
69.03431	4.8
69.07069	1.1
70.06601	1.4
70.11028	1.5
70.11418	1.9
71.04988	1.6
72.08179	1.0
77.03955	0.8
79.05499	12.9
81.03426	11.6
81.07063	15.8
85.02917	5.5
86.09708	0.8
89.06009	0.8
91.05488	6.4
93.03408	3.3
93.07050	33.9
95.04971	1.3
95.08610	5.1
97.02889	6.3
97.06548	0.7
97.10175	0.7
99.04454	2.6
103.05455	2.5
105.03408	0.8
105.07033	5.3
107.04963	2.1
107.08611	3.5
109.02904	6.5
109.10177	3.2
111.04440	4.7
119.04955	1.2
119.08621	1.6
121.06518	1.7
121.10156	25.0
123.08080	0.9
125.05995	1.7
125.09618	1.0
127.03941	3.6
131.04945	3.5
131.08598	1.9
133.10141	0.8
135.08090	0.9
136.33606	0.7
137.06013	2.0
137.09644	1.4
139.11195	1.2
145.04947	1.9
145.06551	1.0
145.10175	1.5
147.04408	3.4
149.09631	100.0
155.03365	1.5
155.10646	0.7
157.06554	0.8
159.04434	14.3
161.06004	0.8
165.05600	0.9
165.09138	5.8
166.09471	3.1
167.06979	0.8
167.10687	33.4
169.01361	2.0
170.01752	0.8
171.04417	11.4
171.08046	1.3
173.06003	3.7
175.03885	1.3
177.05515	4.1
179.08644	1.0
181.04956	0.8
181.06467	1.5
183.04430	4.6
183.08101	1.2
185.06038	2.8
193.05228	0.8
197.05995	8.5
197.09543	1.1
199.07520	8.8
219.08110	0.8
221.09709	1.8
234.10431	1.1
239.10638	1.2
249.12784	3.2
267.13947	2.9
277.12231	2.2
288.92166	0.7
293.13828	17.2
295.13284	12.1
303.04919	1.6
304.05426	3.0
311.14911	42.7
313.14355	29.5
316.05331	1.9
329.15930	8.9
331.04666	3.6
331.15451	13.2
332.04807	8.9
333.05804	1.6
347.07629	17.1
348.07950	49.6
510.13272	7.6
511.13229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18131	1.1
53.03939	3.3
55.01863	4.1
55.05511	2.3
55.35182	1.2
57.03421	2.5
61.02911	2.5
63.29725	1.1
65.03946	2.9
66.67267	0.9
67.05492	3.3
68.99783	1.2
69.03439	10.1
69.07072	2.7
70.06590	2.5
71.04987	1.6
73.02928	2.5
79.05491	3.0
81.03427	10.7
81.07050	2.7
83.01328	1.1
83.04999	1.3
83.08648	1.5
85.02905	22.1
87.00846	8.9
87.04474	1.9
91.05488	100.0
93.07035	3.6
95.04941	2.0
95.08602	3.0
97.02903	20.5
97.03510	1.2
99.04456	5.0
100.11246	1.1
105.01886	5.7
105.07030	2.9
107.08573	3.2
109.02888	8.2
109.06513	1.4
109.10134	2.6
119.08520	1.6
121.06490	1.8
121.10168	2.3
123.11708	1.6
127.03934	15.0
129.01819	1.4
131.08543	1.8
134.05977	3.7
135.11739	1.8
137.09526	1.1
142.08664	1.0
145.04974	10.6
146.10493	1.1
147.04436	1.9
149.02278	1.8
159.02902	5.1
165.09114	4.6
166.03743	1.0
167.03415	5.3
175.03969	1.4
177.01796	1.1
179.03360	3.2
189.05447	1.3
191.03400	1.4
203.03401	2.5
213.04092	1.4
221.04469	1.6
231.05009	2.4
233.04433	3.0
239.19156	1.1
245.04518	4.3
245.08138	1.4
251.06966	2.3
263.05426	2.4
263.23398	1.1
269.08069	14.9
287.09137	1.9
293.08261	5.6
297.94376	1.1
311.09100	5.8
335.09171	15.6
353.10251	10.6
421.09042	1.8
439.10095	5.1
457.11475	1.9
510.30118	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.1
55.01873	9.1
55.05516	28.2
57.07072	9.6
65.08029	3.6
67.05511	50.0
69.03416	8.9
69.07077	61.2
69.75646	12.6
71.05010	4.9
71.08647	6.2
79.05503	31.7
81.03407	13.6
81.07065	100.0
83.04961	8.1
83.08629	36.6
85.02911	19.6
85.06538	9.8
85.79242	3.6
91.05482	17.9
91.83019	4.2
93.07054	39.2
95.04967	16.2
95.08070	6.9
95.08621	91.2
97.02905	4.2
97.06506	9.8
97.10191	31.2
98.20818	4.4
99.08113	8.3
105.07018	16.1
107.04965	10.8
107.08591	33.1
109.06514	11.1
109.10168	58.3
111.08097	6.8
111.11748	24.2
113.16929	4.2
117.07029	9.2
119.08582	11.0
121.06506	11.2
121.10155	24.4
123.11716	37.5
125.09596	8.2
125.13267	15.3
129.07014	7.0
131.08592	10.5
133.10107	8.4
135.08087	7.2
135.11696	14.6
137.06003	7.2
137.13252	29.2
139.14799	5.2
145.06552	5.2
145.10178	9.5
149.13258	27.4
151.14824	10.2
153.12727	5.5
155.08479	4.4
155.14273	10.1
163.11215	14.8
163.14796	9.5
167.14302	25.2
179.17924	6.7
193.12260	4.5
193.19554	5.7
227.12744	12.7
233.11736	6.6
275.27374	18.6
293.17386	4.5
293.28448	34.5
311.29477	5.4
367.22562	8.9
385.23804	7.2
459.27292	8.0
491.26410	9.5
509.27020	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11168	0.5
53.03954	0.6
55.05506	2.2
56.62000	0.6
57.03421	0.7
65.03941	0.6
67.05515	4.0
69.03453	0.9
69.07072	2.0
70.22822	1.7
72.08124	0.8
79.05490	2.4
81.03420	1.1
81.07069	7.3
83.04993	1.0
83.08624	2.2
85.02908	1.5
91.05495	2.9
91.43094	0.8
93.07053	6.5
95.04978	1.4
95.08609	4.9
97.02888	1.2
97.10209	0.8
98.20863	0.9
100.11268	5.8
103.05476	1.5
105.07039	2.0
107.04969	0.9
107.08586	1.9
109.06545	0.7
109.10165	6.0
111.08121	0.8
115.64169	0.9
119.04975	0.8
119.08562	4.4
121.06543	1.2
121.10151	3.9
122.07304	1.9
123.08053	0.7
123.11713	2.8
131.08554	0.7
133.10147	0.8
135.04361	0.8
135.11763	0.8
137.06038	1.5
137.09630	11.5
137.13249	0.8
139.03929	1.2
139.11217	1.6
147.04410	1.8
149.09636	5.2
149.13277	2.3
151.03941	3.1
151.07593	1.4
151.11147	0.7
157.08586	0.6
159.11766	1.0
161.09612	0.7
163.03906	0.8
163.11160	0.7
165.09132	100.0
167.10747	1.4
177.05496	0.9
181.04980	1.1
182.15430	0.7
189.09259	0.8
191.03447	1.1
205.12236	8.4
209.16441	0.9
215.54164	0.6
276.44073	0.7
311.14984	0.9
321.24350	1.6
331.04379	1.6
332.05261	0.8
339.25232	1.5
347.07629	10.7
473.32559	1.5
509.13470	2.5
509.40887	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.0
55.01871	15.2
55.05516	55.6
57.03432	18.9
59.04999	5.0
65.03947	5.7
67.05508	79.9
69.03405	6.9
69.07070	26.7
71.04989	18.1
73.02882	5.7
75.03616	4.7
79.05496	80.1
81.03423	34.0
81.07059	81.4
83.04980	14.3
83.08603	26.8
85.02919	8.5
85.06560	9.7
91.05489	38.6
93.07052	69.7
95.04984	62.7
95.08604	35.5
97.06539	11.4
97.10174	45.1
105.03402	5.0
105.07048	32.4
107.04951	53.7
107.08620	40.1
109.06549	40.9
109.10157	24.5
111.08055	13.1
115.05450	5.0
117.07050	28.2
119.08600	21.7
121.06511	34.4
121.10157	26.2
123.04425	4.9
123.08081	11.1
123.11676	6.3
125.09634	35.8
127.03915	7.2
129.07024	16.5
131.04919	11.2
131.08575	26.5
133.06552	12.5
133.10112	12.2
135.08090	27.9
135.11696	10.8
137.05972	7.1
139.11185	8.5
143.08513	8.0
145.06494	18.6
145.10147	20.8
147.08098	11.5
147.11734	6.7
149.09645	10.5
153.09157	4.2
153.12791	5.0
155.08534	7.8
157.06535	5.7
157.10059	7.6
159.11752	11.3
161.09650	7.7
163.11195	22.1
165.09134	10.1
167.10675	13.7
169.10207	7.2
171.10214	5.1
173.13216	7.3
175.07524	4.7
189.11250	14.4
191.10638	5.4
191.14369	9.6
195.11691	5.1
197.13316	8.2
199.13292	17.7
205.12155	8.8
209.11693	6.1
211.11360	5.3
215.14189	7.2
219.13795	32.9
223.13326	9.8
227.12807	20.2
233.15327	9.9
243.13876	5.4
255.13860	9.1
267.16046	9.7
273.14795	14.7
273.17023	15.8
275.16449	7.8
283.15341	6.4
293.17484	17.8
339.23273	7.6
349.21695	21.0
367.22736	68.6
385.23712	71.6
403.24783	19.8
405.24649	5.6
435.27167	4.9
441.26273	14.9
459.27444	100.0
477.28491	65.5
486.03140	4.8
491.30344	39.9
509.26581	21.0
520.88422	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	509.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01882	1.6
55.05502	3.6
57.07071	2.5
65.03924	1.1
67.05510	5.0
67.47215	0.8
69.07075	10.7
70.31908	0.7
71.52455	0.9
78.91615	0.7
79.05490	4.1
81.07070	18.6
83.08623	2.5
84.66559	0.7
86.09693	0.9
91.05485	3.4
93.07065	2.7
94.04211	2.4
95.08614	10.9
97.10162	1.5
103.05482	1.2
107.04951	6.2
107.08612	1.4
108.05742	2.3
108.30502	0.8
109.06526	1.5
109.10173	6.6
111.11729	2.5
115.05460	1.6
116.06345	0.8
117.07042	3.1
117.07841	0.9
119.08584	0.9
121.06509	2.1
122.03660	3.7
123.11751	4.1
127.11163	1.0
128.06256	1.8
129.06998	3.0
131.04895	4.9
131.08617	1.1
133.10097	1.2
135.04442	2.2
135.11728	1.6
136.05244	4.9
137.05995	42.0
137.13269	7.2
138.80412	0.7
141.07025	1.1
142.34476	0.8
143.08589	1.2
144.05684	0.9
145.06519	4.4
146.07278	1.3
147.08081	0.9
147.11710	1.1
149.05991	1.6
150.06828	1.1
151.04002	5.6
151.07559	100.0
157.06494	2.7
158.07301	3.1
159.08095	3.0
160.08925	1.1
161.05994	1.5
162.06750	1.8
163.07550	7.6
165.05498	19.7
165.06873	1.2
165.09103	5.9
167.07007	0.9
169.06502	1.0
171.08093	2.4
172.08902	1.4
173.05931	0.9
173.09645	1.7
174.06799	4.2
174.08063	0.7
175.07568	10.5
176.08319	1.2
177.09132	10.8
179.07115	5.7
179.08528	1.3
183.08118	1.1
185.05965	1.0
185.09726	1.0
186.06682	1.5
187.07555	8.1
188.08354	2.8
189.07446	0.9
189.09132	18.8
191.07069	2.3
191.10696	8.9
193.08661	1.8
195.08089	1.8
197.09677	1.0
198.06825	0.8
199.07605	2.7
199.11235	1.0
200.08345	1.2
201.09093	15.5
203.10683	9.3
205.08659	2.8
205.12267	1.7
209.09650	1.7
211.07635	1.4
211.11156	1.0
213.09164	3.5
215.10683	5.8
217.08661	2.4
217.12268	3.3
219.08112	1.3
219.10117	6.2
225.09184	2.4
227.10741	1.8
229.08609	2.2
229.12309	2.8
231.08170	1.2
231.10118	4.6
231.13782	1.2
233.11760	3.3
238.09880	1.4
239.07040	1.0
239.10603	2.1
241.12306	1.6
243.13799	1.1
245.15448	1.3
246.14822	0.7
251.10725	1.2
253.08740	1.9
254.09381	1.8
255.13821	1.4
259.11136	1.1
259.17035	2.0
261.09174	1.6
263.10678	1.9
269.11792	4.1
271.16937	5.0
273.18555	4.8
274.09958	1.3
275.10678	1.2
277.12302	2.2
279.10272	2.2
281.08328	0.8
281.11530	0.8
282.09021	2.2
283.09723	0.9
284.10468	1.7
285.11487	1.3
285.18494	1.6
290.09454	1.1
291.10217	2.7
293.11688	1.5
296.10513	2.2
297.11304	15.6
297.18500	1.0
304.11053	1.0
305.11868	3.7
306.12411	1.7
307.09933	1.6
307.13336	1.7
309.11197	2.4
310.12152	1.4
311.12680	1.1
317.11649	1.0
318.12604	1.5
319.13351	1.0
321.11395	2.2
322.12064	1.6
323.12756	1.7
323.20038	4.3
325.14258	1.6
331.13486	0.8
334.12103	1.7
335.12796	2.2
335.20346	0.9
336.13452	1.3
337.14410	8.2
339.15970	1.3
343.22809	0.8
349.14423	5.7
351.15976	1.8
353.21140	6.3
355.15457	2.4
363.16135	1.6
367.15430	7.9
367.22821	1.6
369.17020	1.7
377.17709	0.9
385.16577	2.9
405.20660	1.6
420.23016	24.1
421.23764	1.4
425.19833	1.1
433.23761	2.6
461.26770	1.7
473.26801	10.0
479.28009	3.5
491.27951	37.1
509.29034	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	509.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.6
57.07082	2.9
67.05506	6.6
69.07063	18.2
69.72160	13.7
81.07060	9.0
83.08646	3.1
91.05483	8.9
93.07066	9.8
95.08611	5.3
103.05537	3.0
105.07044	5.3
107.04952	8.2
107.08575	2.8
109.10162	4.4
113.06161	2.8
117.07062	5.0
129.06955	3.3
131.04945	8.4
131.08585	5.3
135.04451	9.1
135.11705	2.7
136.05190	4.2
137.05986	24.5
143.08527	3.1
145.06487	8.6
145.10139	6.2
146.07274	3.5
149.05997	4.8
149.09560	2.7
151.03915	3.4
151.07565	100.0
157.06451	4.9
158.07272	3.2
159.08101	7.2
163.03987	3.3
163.07567	10.5
163.11261	3.2
165.05489	6.9
165.09135	10.5
171.08055	5.7
172.08836	4.4
173.05933	4.6
173.09631	7.4
174.06732	7.3
175.07576	18.0
176.08336	4.1
177.05499	3.3
177.09111	15.2
179.07051	6.2
183.08134	4.6
187.07599	5.7
187.11140	2.9
188.08417	4.1
188.11592	2.6
189.09146	22.3
191.10704	9.8
201.09186	11.8
203.10658	15.7
205.12245	14.2
213.09041	3.3
215.10703	6.4
217.12286	10.2
219.10214	7.9
219.13864	10.2
221.11832	5.7
227.10652	3.4
231.10229	3.6
231.13824	19.6
233.11880	4.7
243.13933	3.9
245.15517	11.1
254.09377	3.3
255.13861	5.6
256.23907	3.0
271.16840	4.4
273.18350	3.8
287.16418	2.5
289.18048	5.9
297.11246	4.8
309.11404	4.0
323.20218	3.3
335.12656	2.5
337.14395	4.8
349.14716	2.9
359.08563	2.7
367.15189	2.8
377.17542	2.8
405.20126	2.9
420.23071	7.0
433.23383	2.8
435.21967	3.4
451.24860	6.2
473.27008	6.6
491.28204	22.9
509.29016	20.6
509.35748	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	509.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01867	2.8
55.05508	3.1
57.07077	2.0
63.21383	1.1
65.03934	1.8
67.05502	4.3
69.07071	11.8
69.16724	10.3
69.17129	1.7
70.11877	1.1
75.66445	1.2
79.05495	4.4
81.07059	18.1
82.80141	1.1
83.08636	1.8
91.05488	6.3
93.07056	2.6
95.08624	12.6
103.05507	2.5
107.04951	3.9
107.08618	1.7
108.05753	2.5
109.06486	1.8
109.10165	6.2
111.11748	2.2
112.80819	1.0
115.05466	1.7
117.07009	2.4
121.06520	3.3
122.03648	5.6
123.11736	4.1
128.06253	1.9
129.06993	2.6
131.04962	5.5
131.08586	2.2
135.04433	1.2
135.11726	1.4
136.05223	5.2
137.05989	45.2
137.13280	8.2
141.07098	1.4
143.08664	2.6
144.05754	1.8
145.06555	5.6
146.07295	1.2
149.06013	2.3
151.03915	4.5
151.07558	100.0
155.08553	1.5
157.06520	3.4
158.07291	2.6
159.08115	3.4
160.05264	2.0
160.08827	2.1
161.05971	2.3
163.07541	7.7
165.05495	20.3
165.06775	1.2
165.09114	8.1
170.07353	1.3
171.08060	1.9
172.08809	2.6
173.09624	2.0
174.06822	3.7
175.07513	10.7
176.08357	1.5
177.09113	11.8
179.07079	5.6
183.08102	1.8
185.06084	1.0
185.09727	1.8
187.07567	7.8
188.08337	3.6
189.09128	21.3
189.10748	1.5
191.07097	1.9
191.10661	7.4
193.08600	1.9
195.08035	1.8
199.07542	3.8
200.08382	2.0
201.09151	15.6
202.09857	1.6
203.10651	10.0
204.95605	1.2
205.08665	1.7
205.12321	1.6
209.09677	2.3
210.06883	1.4
211.07663	1.7
213.09190	2.9
215.10663	5.5
217.08739	3.1
217.12299	1.2
219.10188	6.2
225.09088	1.5
229.08745	1.6
229.12306	3.4
231.10162	6.1
233.09583	1.4
233.11763	2.0
238.09856	1.7
239.10753	2.6
241.12303	1.8
243.13936	1.6
245.15375	1.7
251.10767	3.1
253.08490	1.7
254.09302	2.1
259.16925	2.0
261.08923	1.2
262.10361	1.3
263.10806	1.7
269.11844	4.0
271.16971	4.1
273.18576	5.8
275.10715	2.5
279.10339	2.8
282.09076	1.4
284.10498	2.4
285.11301	2.2
285.18533	1.9
289.12137	1.5
289.18076	2.4
290.09454	1.5
291.10330	3.2
296.10468	2.2
297.11270	15.7
305.11740	3.8
306.12558	1.9
309.11203	2.8
311.12637	1.2
311.20319	1.8
315.19727	1.7
318.12634	1.9
321.11374	2.1
323.12692	2.1
323.20142	5.4
337.14288	9.0
339.16104	2.0
349.14349	5.6
353.21213	4.9
355.15472	2.0
363.15692	1.4
367.15414	6.7
381.16919	1.5
385.16895	2.1
420.22989	20.2
421.23639	1.5
433.23770	2.7
461.27228	2.6
473.26733	11.2
479.28073	2.9
491.27979	36.3
509.29013	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	509.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
59.04987	1.5
61.66352	0.9
67.05500	1.4
67.72993	0.7
69.07072	13.2
69.17455	0.8
69.42485	6.7
79.05524	2.2
81.03410	1.2
81.07057	3.2
86.09731	2.1
90.70455	0.8
91.05492	5.0
93.07066	1.7
94.04215	1.4
95.08611	2.6
98.20761	1.2
103.05489	2.1
105.07039	1.5
107.04964	5.2
107.08585	1.5
108.05745	2.9
109.06503	1.0
110.24355	0.8
115.05479	1.7
117.07020	3.5
121.06535	3.2
124.99991	1.6
128.06227	2.5
129.07030	4.2
131.04916	6.7
131.08554	1.6
135.04395	4.2
136.05164	6.0
137.05983	11.2
141.07043	1.6
142.07790	1.1
143.04977	1.7
143.08620	2.5
144.05688	1.2
145.06508	5.2
145.10158	2.2
146.07309	2.2
147.08073	2.1
148.05244	1.2
149.02357	2.8
150.06717	1.1
151.07561	100.0
155.08546	1.9
157.06551	3.6
157.10100	2.1
158.07269	3.4
159.08093	3.8
160.05244	2.2
160.08899	3.0
161.06013	2.7
161.09596	1.4
162.06819	3.1
163.03970	1.1
163.07568	7.9
163.11275	1.1
165.05515	7.1
165.06819	1.4
165.09152	4.4
169.06493	1.2
169.10136	1.2
171.08086	3.5
171.11670	1.6
172.08868	3.7
173.06006	3.3
173.09669	6.0
174.06770	5.0
175.07594	11.5
176.08350	3.1
177.05394	1.1
177.09140	13.5
179.07076	3.4
179.08528	1.7
181.06633	1.2
183.08121	1.2
184.07361	7.8
184.08870	2.0
185.07904	1.7
185.09685	2.2
187.07660	6.1
187.11197	2.0
188.08307	5.4
189.09142	20.7
190.09935	1.4
191.07086	2.5
191.10677	11.5
195.08099	1.8
195.11649	1.0
196.08931	1.0
197.09702	2.5
199.07564	2.7
199.11185	2.7
200.08380	1.5
201.09120	10.3
202.09842	2.1
203.10683	13.3
205.08655	1.1
205.12279	8.8
207.10231	2.3
209.09619	1.8
211.07603	1.7
213.09172	2.6
213.12778	0.9
214.09915	1.3
215.10776	6.3
217.08760	1.4
217.12241	8.3
219.10211	6.9
219.13712	4.7
221.11743	2.5
223.11285	1.5
225.09048	1.1
227.10789	1.8
229.08583	1.3
229.12326	3.5
231.10210	2.7
231.13786	14.0
232.47195	0.8
233.11722	5.1
235.13300	2.1
237.09142	1.0
238.10025	1.4
239.10629	2.0
241.12360	1.2
243.13814	2.7
245.11891	1.0
245.15422	9.7
254.09464	1.3
254.13095	0.9
255.13889	3.2
257.15442	2.5
259.13446	1.2
267.13986	1.1
269.12207	1.0
269.15305	1.7
271.16949	3.5
273.18518	6.5
275.10706	1.7
285.14960	1.5
287.16467	1.6
289.18030	5.5
291.10211	2.3
297.11334	4.7
297.14420	1.1
299.16754	1.1
301.17899	1.5
303.10339	1.3
305.11774	1.7
315.16187	2.1
315.19620	1.3
323.20157	1.9
335.12769	1.6
337.14465	1.6
349.14304	2.5
353.21167	3.0
363.15988	1.2
365.17615	1.8
367.15442	1.7
371.22076	1.2
377.17770	1.8
382.17743	1.1
385.16629	1.7
391.18927	1.3
395.18481	1.2
405.20566	2.1
417.20602	1.3
420.23062	4.8
421.23831	2.5
423.21814	2.8
433.23886	2.1
435.21796	3.1
440.21982	2.1
441.23062	1.2
451.24820	5.0
453.22675	1.2
461.26648	1.2
473.26895	2.9
473.52460	1.1
479.28186	0.9
491.28036	16.7
509.28934	16.2
509.36191	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2544
Annotation	Petalostemumol
Peak:m/z	Relative Intensity
53.03949	4.1
55.05508	7.8
57.03426	4.5
63.38891	2.8
65.03944	3.3
66.78598	3.4
67.05518	15.3
69.07069	33.2
72.08338	3.2
77.03912	3.7
79.05473	9.9
81.03432	4.2
81.07071	17.2
83.04964	5.8
91.05480	10.2
93.07066	16.2
93.97984	3.2
95.08608	10.1
97.06531	7.2
103.05435	5.1
104.10780	3.6
107.04942	5.5
107.08588	10.8
109.06433	3.6
109.10143	6.9
117.07047	5.8
119.08627	3.8
122.03662	6.4
123.04461	6.9
129.07008	7.0
131.04939	8.2
135.04350	6.4
135.11658	6.6
137.05989	69.7
141.07065	4.4
143.04893	5.7
145.06485	9.8
149.02344	6.0
149.06017	8.8
151.03923	36.5
151.07576	22.2
153.06958	5.9
153.12723	34.8
155.08563	4.2
157.06487	6.2
160.05150	4.4
161.05980	12.2
163.03893	12.3
163.07500	9.2
165.05589	4.9
165.06963	6.3
167.08575	4.8
169.10155	3.2
171.08047	5.3
173.06035	8.7
173.09673	4.4
175.07544	16.3
177.09088	9.6
181.06494	5.8
183.08076	3.9
186.06673	5.8
187.07530	13.7
189.09132	13.9
191.10670	7.6
195.07994	6.9
195.11662	4.1
196.08751	3.6
197.05974	4.5
197.09645	3.5
199.07526	8.9
201.09100	14.8
203.10660	14.0
205.08696	3.7
205.12262	12.8
207.08200	3.7
209.09790	5.6
211.07549	12.2
212.08296	10.4
213.09123	8.9
215.10704	8.5
217.08447	4.2
219.10126	21.2
223.07571	4.2
223.11180	10.8
224.08380	19.8
225.09145	4.8
225.12701	9.7
227.10742	4.2
229.08589	13.2
229.12189	4.2
229.69865	5.0
239.10745	7.0
241.12300	42.3
243.13789	7.1
245.15443	3.7
253.12279	100.0
255.13800	10.6
265.12350	4.0
269.11914	18.3
271.13309	45.9
299.12753	21.1
315.09976	4.3
317.13739	10.0
339.19421	4.2
343.13232	4.6
344.19089	3.4
377.17450	12.5
389.17453	8.3
393.16748	4.9
405.16989	4.2
407.18472	5.1
423.17950	6.7
435.17831	7.4
441.19223	10.1
445.23499	7.7
463.24759	6.1
469.43048	3.4
491.24188	24.9
509.25488	28.2
516.13690	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	509.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27295	1.9
51.02373	2.6
53.03941	3.5
55.05505	4.6
64.69006	2.5
67.05487	5.7
68.33923	2.5
69.07088	4.2
71.04987	6.5
71.53210	2.8
72.08139	4.3
79.05485	11.7
81.03394	3.2
81.07066	15.1
83.04987	3.7
91.05486	11.0
93.07043	24.8
94.04166	2.6
95.08600	6.1
97.06552	3.7
98.80218	2.3
103.05486	3.4
105.07011	5.6
107.08608	31.2
109.06503	2.7
109.10172	10.6
115.05447	14.5
117.07027	6.3
122.03646	4.5
127.11199	2.5
128.06218	4.4
128.83459	2.4
129.07024	12.2
131.04927	6.2
131.08533	4.3
135.04424	100.0
135.11700	14.2
136.34961	2.4
137.05992	59.5
143.04927	24.6
143.87314	2.1
145.06502	15.1
149.02373	3.3
151.03889	5.0
151.07524	4.2
151.70926	2.6
153.12761	19.2
155.08620	2.8
157.06505	12.7
157.10081	2.2
160.05170	7.3
161.05998	8.0
163.07607	3.3
173.05998	91.6
175.07561	45.2
177.09035	2.7
184.07355	3.9
185.06018	36.2
187.07521	18.4
189.09132	5.5
203.07030	30.7
203.08737	3.2
205.08629	9.1
215.07034	4.9
232.09315	2.2
233.08118	21.8
235.09685	4.6
246.18567	5.7
269.08200	4.4
281.08411	2.3
289.08560	5.8
309.11179	5.6
321.11215	12.8
323.53494	2.5
339.12253	8.4
351.12421	3.9
369.13403	3.6
426.61395	2.4
466.71411	2.6
491.36575	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	509.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.1
53.03945	1.1
55.01865	2.6
55.05502	2.0
57.03428	1.2
64.74799	0.6
65.03939	4.2
67.05508	5.0
67.05815	0.9
68.99782	1.5
69.07067	3.2
70.05463	0.8
70.05801	2.8
72.08141	1.6
79.05490	7.8
79.08186	0.6
81.02985	1.0
81.03426	13.2
81.07061	16.8
83.08637	0.8
91.05488	3.0
93.03392	1.3
93.07053	3.3
94.04169	0.7
95.01332	1.8
95.04980	0.9
95.08607	4.7
95.14469	0.7
98.98460	2.1
103.05459	1.0
105.07024	2.7
107.04950	2.0
107.08613	3.5
109.02892	0.6
109.06524	1.9
109.10151	1.8
111.04451	0.8
115.05438	3.7
117.07047	1.5
119.04977	0.8
119.08575	1.9
121.02880	1.1
122.03639	2.0
122.61948	0.7
123.04420	1.3
128.06223	2.8
128.29300	0.6
129.07016	13.5
131.04942	2.6
131.08525	1.0
133.06535	1.0
133.10135	2.1
135.04424	27.9
135.11674	1.0
135.79132	0.6
137.05986	34.3
137.13261	1.2
139.03894	1.1
143.04947	4.8
144.89145	0.6
145.06499	1.7
145.10081	1.1
147.08054	1.4
147.11618	1.0
149.02354	100.0
149.03351	3.7
151.03917	17.9
151.05014	1.2
153.05505	0.8
153.12741	2.8
155.04945	0.8
157.06512	12.2
159.04332	1.4
160.05284	0.8
161.05997	3.2
163.03896	1.9
171.04402	4.3
173.05969	3.8
175.07552	2.0
183.04427	0.8
184.07402	0.8
185.05908	1.1
187.07552	4.3
189.05453	7.4
189.07240	1.3
189.09102	8.3
201.05486	26.7
203.07037	16.2
203.08765	1.4
205.08684	1.2
213.05499	2.2
215.07072	1.1
219.06427	11.3
219.08203	1.8
231.06487	6.6
231.08237	0.7
233.08202	1.8
235.07629	0.9
241.05045	1.0
246.06885	0.7
246.18469	3.0
247.07645	2.6
261.09192	2.6
263.06970	1.3
275.07108	1.4
276.08047	0.9
277.08615	2.3
279.10184	1.5
282.08948	0.9
283.05920	0.8
284.06808	2.2
287.07117	0.9
289.08490	1.4
292.07559	0.8
293.08167	2.6
294.08942	0.8
295.09747	1.8
304.07281	0.9
305.08203	3.9
307.09686	3.1
309.11261	2.0
319.09665	6.3
325.10703	14.2
337.10791	13.2
337.27390	11.8
343.11884	2.6
355.11789	16.1
373.12964	3.4
491.36331	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	509.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.8
55.05510	1.3
57.07075	1.3
59.00784	0.7
59.99893	0.7
65.03952	4.6
65.04224	0.8
67.05503	2.2
68.99795	1.6
69.07071	2.0
71.52894	1.1
72.08144	1.5
79.05489	3.1
80.73481	0.7
81.03426	10.6
81.07069	15.2
91.05487	2.0
91.72321	0.8
93.07062	1.8
94.04179	1.1
95.01318	1.6
95.04976	0.8
95.08613	5.9
103.05489	1.5
105.07012	0.9
107.04945	0.9
109.06541	1.7
109.10184	1.4
111.04422	1.4
115.05505	3.9
117.07014	1.7
121.02836	0.9
121.06469	1.1
122.03650	2.4
123.04455	1.6
127.77637	0.7
128.06232	3.0
129.07013	10.2
131.04955	2.3
131.08543	1.1
135.04427	26.7
137.05989	33.1
137.13260	1.7
143.04947	3.6
145.06514	2.3
147.08044	1.1
149.02359	100.0
151.03929	16.5
151.05058	0.9
153.12732	2.2
157.06497	10.6
159.04449	1.0
161.05936	3.6
163.03877	1.5
165.05470	1.7
165.09152	0.8
171.04430	4.4
173.06021	3.3
175.03947	0.8
175.07568	2.9
175.49579	0.7
177.05635	0.8
177.09067	1.1
185.05870	0.7
187.07550	4.1
189.05498	6.0
189.07135	1.2
189.09109	6.5
191.07056	1.8
201.05493	22.6
201.09265	0.9
203.07053	13.4
203.08788	1.4
212.08228	0.7
213.05537	1.2
215.07106	1.3
219.06448	8.2
219.08089	1.2
221.08026	0.8
231.06578	5.1
233.08171	2.6
235.07579	1.7
247.07547	2.3
259.07596	1.3
261.09152	1.7
263.06824	0.7
275.07022	1.2
276.07999	0.8
277.08600	3.1
279.10083	1.1
283.05933	1.1
284.06870	3.2
293.08032	1.3
295.09552	1.3
296.13553	0.9
304.07355	0.7
305.07996	4.2
307.09735	2.9
309.11337	2.3
313.27295	1.1
319.09616	5.8
322.08447	1.2
325.10779	11.5
337.10672	13.2
343.11877	2.6
355.11780	14.3
373.12857	3.4
387.75659	0.8
420.26004	0.8
491.25201	0.8
491.33682	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	509.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
54.06561	0.5
56.66676	0.5
61.02925	0.6
65.03934	1.3
69.03423	1.3
69.71037	1.1
69.71449	2.0
70.06586	0.5
73.02914	0.7
79.05486	1.0
81.03424	5.1
81.07053	1.9
85.02895	2.0
85.06525	0.5
89.03926	0.7
89.09122	0.5
91.05486	18.1
93.07051	1.6
95.77791	0.5
97.02870	1.0
99.04453	0.7
103.05443	0.7
107.04899	0.7
107.08620	0.7
109.02878	1.8
119.04946	27.6
120.45676	0.6
121.02875	0.5
123.04495	0.6
123.11673	0.6
127.03908	1.0
132.02112	1.2
133.10251	0.5
134.70103	0.5
135.04402	0.7
137.05991	2.2
137.09639	0.6
141.04393	1.2
141.05470	20.2
145.02863	1.6
147.04417	24.8
149.02338	0.7
149.09555	0.8
151.03880	3.2
153.05489	1.2
157.03984	3.2
163.03839	1.0
164.04745	1.1
165.05437	1.5
165.09187	0.7
167.03423	1.4
167.06987	1.2
168.60780	0.5
175.03918	46.6
177.05510	1.7
179.07024	2.3
181.04936	1.5
183.02930	1.2
183.06517	2.7
189.09091	0.5
191.06966	0.7
193.04984	4.1
203.07080	1.1
207.06543	100.0
231.06537	2.1
249.07533	1.2
273.07330	0.7
287.05457	0.8
301.03510	0.9
301.83875	0.6
305.10284	1.9
329.96967	0.5
332.05362	3.4
347.07587	14.8
347.10580	0.8
351.10739	4.6
369.11679	3.5
417.88574	0.6
443.06232	0.7
509.12567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.6
51.57121	0.6
53.03915	2.4
55.01850	1.5
55.05511	3.6
58.35794	0.7
65.03916	1.4
67.05511	5.7
68.99777	1.8
69.03413	1.0
69.07047	1.5
70.06586	0.8
71.07332	1.9
71.37624	1.0
72.08162	17.2
79.05500	24.8
81.03422	3.1
81.07064	10.7
83.04949	0.9
91.05487	16.8
93.07046	8.0
95.04973	6.0
95.08633	3.4
98.06017	1.0
99.94434	0.6
102.82356	0.6
103.05453	4.5
105.04500	0.7
105.07037	22.4
107.04978	5.3
107.08601	20.5
109.06492	1.5
109.10146	0.9
111.00810	1.2
115.05440	4.0
117.06975	2.8
118.04121	1.4
119.04949	1.1
119.06003	0.8
119.08601	9.9
121.06514	11.7
121.10108	1.0
123.00787	0.9
123.08028	1.1
124.07579	0.9
128.06180	0.9
129.07030	3.5
130.07782	0.7
131.04890	1.2
131.08568	5.3
133.06493	11.6
133.09274	0.8
133.10144	9.9
134.03580	0.7
135.04427	17.7
135.08037	1.4
137.05968	1.5
139.00237	2.2
139.09915	4.8
141.06975	1.2
142.07744	2.1
143.08586	4.6
145.06422	1.7
145.10138	6.7
147.04468	1.1
147.08017	2.9
147.11708	7.6
149.06007	8.6
149.13206	1.7
152.10626	1.8
154.77309	0.7
155.03392	1.2
155.08519	1.4
156.09270	1.0
157.06464	2.6
157.10130	6.9
159.05560	0.8
159.08037	1.0
159.11674	2.4
160.05176	0.7
161.05992	19.1
163.03873	1.2
163.07501	1.2
165.05548	0.6
167.07005	1.6
167.08452	1.1
169.01297	2.6
169.10097	3.4
171.11649	2.5
173.05907	0.7
173.09615	0.8
173.13261	0.7
175.07506	3.4
175.11150	4.3
177.05466	7.7
178.06216	1.3
178.90523	0.7
179.07083	0.7
180.07715	0.7
181.10085	1.1
183.11688	2.6
185.05943	2.0
185.09630	0.7
185.13202	3.7
187.07541	1.5
189.05524	3.0
193.08557	1.8
194.09344	2.5
195.10158	0.8
195.11722	1.4
197.13248	2.6
199.14796	1.4
201.05524	1.4
203.07016	1.3
207.02731	0.8
209.08083	0.7
209.13185	1.5
211.14757	2.3
213.05391	2.2
213.16341	0.6
217.04927	1.2
221.13295	0.7
223.14919	0.8
225.16391	1.7
231.06404	1.9
233.12987	0.9
235.14781	1.6
245.04517	1.5
246.05217	1.0
246.18556	19.0
247.14697	0.9
253.15973	1.4
259.06204	0.8
271.06079	4.7
272.03262	0.7
274.04666	2.3
285.03900	1.4
287.05508	67.5
299.05472	1.7
300.06329	0.7
301.07172	7.0
302.04260	2.8
303.21274	0.7
308.26489	0.7
313.07120	2.1
315.04999	92.8
316.05603	1.7
317.06580	19.8
324.23285	1.1
327.08755	0.8
341.06604	6.1
349.21655	1.0
353.97293	0.7
355.08167	1.5
402.27737	0.8
420.29025	3.0
438.29861	2.0
451.10129	0.7
491.36340	23.5
509.14478	100.0
509.37433	61.8
509.43542	1.1
510.14865	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	509.1297
Annotation	syringetin-3-O-galactoside
Peak:m/z	Relative Intensity
51.09437	0.1
53.03935	0.2
55.05510	0.2
61.02888	0.2
67.05467	0.2
68.99781	0.2
69.03396	0.6
69.07001	0.2
69.63245	0.8
76.27712	0.2
79.05473	0.3
80.99387	0.2
81.03387	0.3
81.07019	0.5
85.02850	0.6
86.64699	0.1
91.05460	0.4
93.07011	0.6
95.04945	0.2
95.08557	0.6
97.02864	0.4
105.07034	0.3
106.05336	0.2
107.04932	0.4
109.02859	0.3
109.10116	0.4
111.08050	0.2
113.19038	0.2
119.04935	0.3
119.08664	0.2
121.06477	0.3
121.10140	0.2
123.04426	0.2
123.11659	0.2
127.03865	0.3
135.04384	0.4
137.05997	1.6
137.09549	0.2
138.06712	0.5
139.11246	0.2
146.03610	0.4
147.04367	0.7
148.05179	0.2
149.02235	0.2
149.05917	0.3
149.09529	0.4
151.03847	0.5
151.07480	0.4
153.01805	0.6
154.02640	0.3
155.03413	2.2
161.06030	0.2
163.03862	0.6
165.05467	1.9
165.07777	0.3
165.09123	3.4
168.00558	0.5
169.01331	4.5
173.02251	0.2
177.05434	0.3
181.01282	0.9
189.87433	0.2
207.02841	0.2
210.01575	0.7
212.04660	0.3
225.00291	0.3
245.04395	0.4
246.05266	0.2
257.04453	0.7
258.05243	0.3
259.05972	0.4
274.04755	0.2
275.05286	0.2
285.03995	0.7
286.04678	0.8
287.05530	1.7
289.03214	0.4
302.04269	0.4
303.05029	6.3
313.03522	0.4
314.04279	2.0
315.04965	2.1
316.05774	1.0
317.02991	0.9
318.03873	0.9
318.07297	0.3
331.04501	18.2
332.05255	3.2
347.07632	100.0
348.08105	0.9
463.64511	0.2
509.12958	13.0
510.13696	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1298
Annotation	8,3',5'-Trihydroxy-7,4'-dimethoxyisoflavone 6-O-glucoside
Peak:m/z	Relative Intensity
53.03938	0.5
55.01867	0.7
57.03426	0.9
61.02914	1.2
64.25527	0.3
65.03952	0.5
69.03428	2.1
69.97956	1.7
71.58431	0.3
74.42122	0.3
77.48904	0.3
79.05494	0.8
81.03416	1.7
85.02917	7.2
91.03967	0.3
91.05467	1.0
93.07042	3.5
93.15847	0.3
95.04981	0.5
97.02908	4.7
98.03228	0.7
98.20835	0.5
99.04473	0.5
105.07032	0.7
108.02122	0.4
109.02890	0.9
121.06509	0.4
121.10159	4.1
127.03915	1.1
137.05856	0.6
141.05486	0.3
145.04976	1.2
146.03635	0.4
147.04395	1.0
149.09599	0.8
151.03912	13.9
151.05008	1.3
164.04810	0.4
166.82056	0.3
167.10696	0.4
168.00520	0.6
169.01385	1.3
177.05531	0.4
181.05028	0.5
183.02957	0.7
214.61661	0.4
233.04509	0.4
243.03058	0.4
244.03610	0.8
245.04442	1.1
258.05359	0.5
261.03897	2.4
272.03165	2.7
273.03995	3.2
280.20898	0.4
287.05362	0.7
289.03491	4.5
300.02701	1.5
301.03430	10.4
303.05063	0.4
314.04401	0.6
315.05075	3.0
317.02908	2.0
331.04526	1.1
332.05289	33.8
343.06689	0.6
347.07635	100.0
348.08167	0.7
405.54318	0.3
539.21021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1293
Annotation	8,3',5'-Trihydroxy-7,4'-dimethoxyisoflavone 6-O-glucoside
Peak:m/z	Relative Intensity
51.38693	0.3
53.95673	0.3
56.04820	0.2
61.02927	7.2
62.92617	0.3
69.03419	0.9
70.92580	0.7
73.02911	1.9
81.03399	0.5
83.20864	0.3
85.02909	6.5
91.03951	3.7
95.03045	0.3
97.02898	3.8
99.04433	0.4
109.02843	0.3
113.21436	0.3
119.04980	0.3
127.03925	0.8
134.03625	0.4
137.05965	0.6
145.04984	0.4
147.04457	0.4
151.03943	1.5
151.04959	0.3
163.03929	0.3
168.00566	0.6
169.01331	1.2
172.32487	0.3
183.02907	0.9
190.83362	0.3
244.03711	0.9
245.04504	1.0
261.03937	2.0
272.03156	2.5
273.03915	3.3
285.03854	0.3
287.05450	1.1
289.03363	4.1
300.02631	2.8
301.03433	10.5
303.05267	0.6
304.05899	0.3
315.04999	3.1
317.02930	1.7
331.04538	1.1
332.05267	32.0
347.07614	100.0
348.07947	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1296
Annotation	Myricetin 7,4'-dimethyl ether 3-galactoside
Peak:m/z	Relative Intensity
62.73960	0.2
69.03410	0.3
73.02850	0.1
81.03387	0.2
85.02920	1.1
87.56566	0.2
93.03353	0.2
97.02882	0.4
109.02840	0.2
115.53751	0.2
119.04900	0.3
121.02849	0.5
127.03938	0.5
136.01532	0.2
137.05956	0.3
145.04919	0.2
146.03554	0.2
147.04396	0.3
149.02266	0.3
151.03920	1.2
153.59856	0.2
156.04158	0.3
162.03194	0.2
163.03920	0.2
167.03386	0.3
168.00542	0.6
169.01285	0.6
169.05132	0.2
177.05487	0.3
182.02065	0.3
183.02898	9.1
195.02884	0.2
201.05362	0.2
213.05316	0.2
216.04375	0.2
223.87579	0.2
230.05650	0.2
233.04532	0.5
241.04840	0.3
243.02939	0.2
244.03664	0.7
245.04430	0.4
247.06058	0.2
257.59290	0.2
258.05283	1.1
259.06076	1.0
261.03989	1.6
267.42792	0.2
269.04333	0.2
272.03149	1.4
273.03922	1.3
275.05447	0.5
276.06262	0.9
286.04752	0.6
287.05618	1.0
289.03485	1.4
291.08704	0.2
300.02649	1.1
301.03479	5.1
301.06781	0.2
303.04959	1.1
304.05789	2.7
314.04291	1.0
315.04980	3.1
317.03021	1.0
329.21628	0.2
331.04453	0.7
332.05289	18.4
345.05911	0.2
347.07620	100.0
348.07965	0.7
509.12903	10.0
510.14163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1299
Annotation	syringetin-3-O-glucoside
Peak:m/z	Relative Intensity
57.03423	0.1
61.02896	0.2
63.95234	0.1
65.03914	0.1
69.03428	0.6
69.45301	0.2
69.45709	0.5
71.04976	0.1
81.03395	0.3
81.07027	0.2
82.65419	0.1
84.38398	0.1
85.02914	1.6
86.09691	0.1
93.03371	0.4
93.07018	0.1
97.02906	0.6
107.04947	0.1
109.02867	0.2
117.06905	0.1
119.04946	0.2
121.02896	0.7
121.10109	0.2
123.04372	0.2
124.05166	0.1
125.05964	0.1
127.03854	0.4
134.03517	0.1
135.04343	0.1
136.01552	0.2
137.02261	0.1
137.05957	0.4
139.00281	0.2
139.03860	0.2
141.01845	0.1
145.04971	0.1
146.03595	0.2
147.04399	0.5
149.02318	0.2
149.09631	0.2
151.02753	0.1
151.03909	1.9
151.05042	0.1
153.01833	0.1
154.02480	0.2
155.03316	0.2
156.04129	0.4
163.03882	0.4
164.04688	0.1
166.04253	0.1
167.03404	0.3
168.00554	0.3
169.01369	0.5
169.04945	0.3
170.52400	0.1
173.02376	0.1
175.04057	0.1
177.05528	0.2
181.04996	0.1
182.02127	0.6
183.02907	8.9
186.01579	0.1
188.07008	0.2
191.03403	0.3
195.02895	0.3
199.04002	0.2
200.03151	0.3
203.03244	0.2
205.05016	0.2
211.09547	0.1
213.05435	0.2
215.03328	0.1
216.04231	0.2
217.05023	0.1
229.04977	0.1
230.05753	0.2
231.06563	0.3
233.04474	0.6
241.04779	0.1
242.11803	0.1
243.02887	0.4
243.12102	0.3
244.03693	0.8
245.04454	0.4
247.06021	0.3
255.02750	0.1
258.05313	0.9
259.06058	1.2
260.12997	0.1
261.03976	1.9
271.02292	0.1
272.03146	1.6
273.03955	1.4
274.04749	0.2
275.05405	0.6
276.06210	0.8
285.03702	0.2
286.04785	0.7
287.05499	1.2
289.03494	1.6
290.04077	0.2
291.08591	0.2
300.02652	1.2
301.03470	5.7
301.06766	0.2
303.04953	1.3
304.05777	2.2
313.03314	0.1
314.04202	0.9
315.04990	3.0
316.05612	0.1
317.02960	1.1
318.07312	0.2
331.04474	0.8
332.05286	19.3
333.05643	0.2
345.06082	0.3
347.07623	100.0
348.08029	0.9
509.12930	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	508.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14117	2.5
55.05515	29.2
57.03439	7.4
57.07086	13.7
58.28269	2.9
61.02931	4.9
62.16028	2.8
67.05517	32.8
69.06733	3.5
69.07076	45.6
69.28520	19.3
69.28925	6.0
71.08620	9.0
79.05482	19.0
81.07069	50.5
83.08627	35.5
85.02895	5.2
85.10191	3.3
86.09705	6.2
93.07040	27.0
95.08621	39.8
97.02909	3.9
97.06543	7.1
97.10181	28.4
98.20790	5.7
104.10757	17.9
107.08617	20.7
109.10168	20.6
111.08133	4.7
111.11780	6.3
121.10165	41.9
123.11700	18.2
123.75152	2.9
124.99992	4.7
125.09621	4.8
135.11707	34.8
137.13300	14.5
138.83076	3.1
149.13303	15.1
159.72215	3.5
163.14836	6.6
166.02100	2.6
175.94408	2.6
184.07393	15.5
219.21109	46.1
220.87416	2.9
237.22148	100.0
255.23192	27.8
311.25854	95.7
311.29037	2.6
329.26920	51.6
454.90674	3.6
479.97842	3.0
490.32938	4.1
508.34100	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	508.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67018	6.1
55.05494	6.2
57.07079	36.1
64.50421	5.8
67.05506	11.3
69.07079	9.5
71.08625	33.6
71.53632	8.1
71.81796	6.5
78.64377	6.0
82.97580	6.3
85.10184	20.7
87.04473	8.0
89.06034	100.0
111.11711	6.7
117.74057	6.4
133.08591	42.9
141.52783	5.7
141.84001	5.9
151.09642	8.0
177.11224	14.7
180.45082	6.0
228.54887	6.6
239.14909	25.6
279.27975	7.5
293.28766	6.5
446.63708	6.5
491.43088	42.7
508.40811	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	508.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.05501	2.2
57.03421	0.7
60.68973	0.6
67.05509	0.9
68.56973	0.6
69.03428	2.4
70.06598	2.8
71.04997	10.7
71.52034	0.5
72.08165	3.0
74.06072	0.6
79.05499	1.0
79.84475	0.6
81.03416	2.8
81.07051	2.3
83.04984	1.2
83.08616	2.4
84.04505	0.9
84.08162	4.0
85.02907	4.0
86.09709	5.9
87.00826	1.8
91.05478	1.2
93.07056	1.3
95.04946	0.6
95.08600	2.9
97.02890	1.9
97.06523	1.3
99.04464	42.0
100.45061	0.6
103.05471	0.7
104.16949	0.6
105.01891	0.8
105.07025	2.0
107.08597	13.6
109.02852	1.5
109.06534	9.4
109.10163	1.1
112.11115	0.8
113.09640	2.4
115.03892	0.7
116.07043	1.1
117.07005	1.7
119.08581	2.7
120.08069	1.2
121.10168	5.4
123.08078	13.0
123.11699	6.0
124.04005	1.2
125.09646	4.0
127.03914	1.9
129.06992	1.4
129.10242	1.2
130.08638	1.1
131.08592	0.8
136.07513	0.7
137.05994	2.0
137.09569	1.1
139.11116	0.8
141.12717	0.8
145.06505	10.7
145.10161	0.6
147.04503	0.9
147.11676	3.6
149.09624	5.3
157.06541	1.5
159.02876	0.7
161.13264	1.4
163.11153	0.7
165.12761	7.3
167.10707	17.6
181.12271	7.5
183.13820	16.1
185.16463	1.1
189.12767	1.9
190.54453	0.6
199.11220	1.8
200.13737	0.6
207.13821	3.4
217.12202	3.7
225.14879	100.0
226.15393	0.7
251.95508	0.6
275.90555	0.7
284.33267	0.7
473.19962	1.3
508.16492	0.7
508.25266	2.3
532.72729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.05501	2.2
57.03421	0.7
60.68973	0.6
67.05509	0.9
68.56973	0.6
69.03428	2.4
70.06598	2.8
71.04997	10.7
71.52034	0.5
72.08165	3.0
74.06072	0.6
79.05499	1.0
79.84475	0.6
81.03416	2.8
81.07051	2.3
83.04984	1.2
83.08616	2.4
84.04505	0.9
84.08162	4.0
85.02907	4.0
86.09709	5.9
87.00826	1.8
91.05478	1.2
93.07056	1.3
95.04946	0.6
95.08600	2.9
97.02890	1.9
97.06523	1.3
99.04464	42.0
100.45061	0.6
103.05471	0.7
104.16949	0.6
105.01891	0.8
105.07025	2.0
107.08597	13.6
109.02852	1.5
109.06534	9.4
109.10163	1.1
112.11115	0.8
113.09640	2.4
115.03892	0.7
116.07043	1.1
117.07005	1.7
119.08581	2.7
120.08069	1.2
121.10168	5.4
123.08078	13.0
123.11699	6.0
124.04005	1.2
125.09646	4.0
127.03914	1.9
129.06992	1.4
129.10242	1.2
130.08638	1.1
131.08592	0.8
136.07513	0.7
137.05994	2.0
137.09569	1.1
139.11116	0.8
141.12717	0.8
145.06505	10.7
145.10161	0.6
147.04503	0.9
147.11676	3.6
149.09624	5.3
157.06541	1.5
159.02876	0.7
161.13264	1.4
163.11153	0.7
165.12761	7.3
167.10707	17.6
181.12271	7.5
183.13820	16.1
185.16463	1.1
189.12767	1.9
190.54453	0.6
199.11220	1.8
200.13737	0.6
207.13821	3.4
217.12202	3.7
225.14879	100.0
226.15393	0.7
251.95508	0.6
275.90555	0.7
284.33267	0.7
473.19962	1.3
508.16492	0.7
508.25266	2.3
532.72729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	0.9
69.28531	0.6
69.28941	2.4
70.06599	1.1
77.15353	0.4
79.05506	0.6
84.08123	0.8
85.02920	1.9
86.09710	0.6
91.05487	0.5
91.64144	0.4
93.07046	0.6
97.02916	0.7
98.21579	0.7
98.97588	1.2
103.05473	7.0
105.04543	0.4
106.04998	0.3
107.04967	1.8
109.03008	0.4
110.97560	0.5
116.07113	0.6
116.98647	0.6
119.04996	0.5
119.74255	0.3
120.08121	100.0
121.08447	0.5
127.03923	0.8
131.04936	2.0
131.28380	0.3
132.10220	0.4
137.05933	0.6
145.04985	0.6
147.04408	1.0
149.06024	2.0
163.03929	2.2
166.08661	59.0
174.84074	0.3
192.07687	0.4
213.09097	1.1
219.01770	0.6
229.67415	0.4
233.25317	0.4
237.02771	0.8
335.62814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01872	0.8
56.98419	0.4
58.06586	1.9
61.02906	0.5
61.74065	0.5
63.06428	0.4
64.27152	0.4
67.05489	1.4
69.03435	3.9
69.07059	1.0
70.06589	0.9
71.04972	0.5
71.52722	0.7
72.08144	0.8
79.05477	1.3
80.36642	0.4
81.03425	3.6
81.07050	1.4
85.02919	4.1
87.00803	2.0
91.05476	1.4
91.50520	0.5
93.07031	1.6
95.04993	0.7
95.08616	1.2
95.51452	0.4
97.02879	2.1
99.04436	1.4
105.01859	0.7
105.07027	0.8
107.08611	1.0
109.02895	2.6
109.10127	1.4
113.83717	0.5
115.05466	0.5
116.07064	0.6
117.03317	0.6
119.04913	0.7
119.47176	0.5
121.10139	2.0
124.03968	1.7
127.03922	3.0
130.06538	17.6
131.08496	0.6
132.04425	0.5
133.10156	0.5
135.11696	0.7
137.05966	1.5
145.02794	1.3
146.06015	1.3
147.04420	1.2
149.09607	0.8
151.03905	4.3
151.07498	1.5
153.12750	1.1
158.06030	10.0
160.07562	1.7
161.05949	0.7
162.05499	2.3
165.06967	0.7
167.07317	0.6
167.10715	0.6
170.05939	0.8
171.24872	0.5
174.05498	1.9
176.07108	0.8
177.05490	2.9
182.09656	1.8
183.06764	0.7
183.10385	0.6
184.07545	0.8
185.04745	1.0
186.05496	1.2
188.07080	60.4
192.08089	0.9
196.07603	1.1
198.09102	0.5
200.07080	7.5
202.08675	0.8
209.08356	1.3
210.09148	30.3
211.09891	1.9
212.07095	14.6
212.10716	1.8
214.08623	0.6
224.10716	3.3
226.08690	0.6
227.09451	3.6
242.11775	100.0
243.12172	1.2
260.12845	57.4
268.08096	1.5
310.91800	0.5
317.06488	0.9
318.06885	2.1
332.05292	1.6
346.06622	0.9
347.07620	5.3
422.18201	3.2
464.13080	0.4
464.19180	9.1
464.25339	1.0
490.16995	0.8
506.05777	0.6
508.18149	54.5
509.18616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01869	2.7
55.05270	1.7
55.05516	22.0
57.03447	7.8
57.07081	17.8
59.05005	1.9
65.03941	3.6
67.05513	100.0
68.29640	1.1
69.03425	1.6
69.07078	20.0
69.74503	5.1
69.74918	2.2
71.04990	5.2
71.08640	12.0
79.05499	32.2
81.03412	5.3
81.07067	67.3
82.03751	1.5
82.07362	1.3
82.94453	1.1
83.04986	3.6
83.08632	17.7
83.26980	1.1
85.06542	5.1
85.10197	8.1
91.04971	2.1
91.05492	24.1
93.06485	2.4
93.07053	40.1
95.04982	3.6
95.08618	46.2
97.06527	5.1
97.10177	12.8
98.21558	1.2
99.08112	2.6
105.04520	1.1
105.06515	1.2
105.07054	15.6
107.08611	26.4
109.10169	54.9
111.08071	3.9
117.07013	7.6
118.33077	1.1
119.08601	15.1
121.10163	18.2
123.08069	1.3
123.11715	11.2
124.88581	1.1
125.00301	1.2
125.09655	6.7
129.07004	2.2
131.08601	11.5
133.10147	15.6
134.97885	1.2
135.08051	1.6
135.11700	12.8
136.06189	1.8
137.09607	3.1
137.13277	3.7
139.11148	1.8
143.08560	2.3
145.10149	7.8
147.11705	9.6
149.09671	2.0
149.13290	14.0
151.11255	2.1
152.76694	1.5
153.09053	1.4
154.66183	1.2
155.10677	3.3
157.10141	1.8
159.11732	11.2
161.13271	5.2
163.14841	3.3
171.11691	3.9
173.11742	12.9
173.13284	6.1
175.14809	2.9
177.16367	1.7
183.11723	1.6
184.83461	1.1
185.13295	1.8
187.14856	4.7
189.11243	5.0
194.12680	1.6
195.13838	3.7
227.12776	9.8
229.14384	32.1
231.16010	1.4
235.50412	1.3
239.23709	3.8
243.21039	2.5
259.20544	2.0
261.22159	19.9
271.20325	1.3
277.21762	1.7
293.83487	1.1
317.24725	3.7
335.25821	23.4
379.29837	3.1
397.31015	6.8
402.04047	1.4
413.21680	1.1
415.32245	6.4
433.33472	6.3
471.34573	4.2
489.35806	42.3
507.39935	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79931	0.2
55.01856	0.2
55.05510	0.8
56.36469	0.2
57.07075	0.2
58.06588	0.2
59.04995	0.2
65.03952	0.3
67.05175	0.3
67.05509	3.6
69.03429	0.4
69.07080	0.9
71.04989	0.2
71.53079	0.2
79.05497	0.9
81.07061	3.3
83.04981	0.5
83.08649	0.2
85.02895	0.3
85.06537	0.7
91.05486	1.1
93.07059	1.7
95.04993	0.5
95.08616	4.0
97.06551	0.2
99.04451	0.3
101.06009	0.2
105.07030	0.7
107.04954	0.4
107.08588	1.2
109.02905	0.2
109.06519	0.5
109.10162	5.3
111.08089	0.4
111.20792	0.2
113.05970	0.2
113.09595	0.2
119.04977	0.2
119.08596	2.9
121.06499	0.4
121.10133	1.2
122.07305	1.8
123.08075	0.6
123.11736	2.1
125.09638	0.3
129.09155	0.3
131.08534	0.2
133.10114	0.3
135.08102	0.2
135.11684	0.4
137.05977	0.5
137.09624	12.3
139.07555	0.3
141.09084	0.7
145.10181	0.2
147.04407	0.2
147.11723	0.4
149.05981	0.2
149.09625	1.3
149.13261	0.4
151.03912	0.7
151.07550	0.8
151.08669	0.2
155.10626	0.2
157.08603	0.6
157.10007	0.2
159.11694	0.5
161.13261	0.4
163.11113	0.3
165.09122	100.0
166.09427	0.5
172.03108	0.2
175.11197	0.4
177.09218	0.3
181.04979	0.2
183.10141	0.3
187.09656	0.6
189.09163	0.4
189.12842	0.3
189.16431	0.2
191.10670	0.2
199.07492	0.2
203.10695	0.7
203.17967	0.3
205.12259	2.6
207.10121	0.2
221.15289	0.2
221.18918	0.3
223.13335	0.4
239.16438	0.2
245.15210	0.2
262.68982	0.2
267.15964	0.3
267.19464	0.3
285.17090	0.2
291.23123	0.5
319.22852	0.3
325.23837	0.3
337.23746	1.6
351.65521	0.2
355.24612	0.3
358.62872	0.2
425.30627	0.2
443.31439	0.5
471.30893	0.6
489.31799	0.5
494.19687	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27694	0.2
53.03943	0.3
55.05503	0.7
58.06588	0.2
67.05508	3.9
69.03432	0.4
69.07056	0.6
71.04986	0.4
71.53214	0.2
79.05473	0.6
81.03413	0.3
81.07063	3.5
83.04971	0.8
83.08599	0.2
85.06540	0.5
91.05486	1.1
93.07047	1.5
95.04939	0.5
95.08613	3.3
97.06539	0.3
99.04489	0.2
105.03384	0.2
105.07025	0.7
107.04924	0.3
107.08604	0.9
109.06524	0.5
109.10167	5.9
111.04405	0.3
111.08128	0.3
113.05980	0.4
113.09674	0.2
117.07015	0.3
119.04966	0.2
119.08574	2.5
121.06511	0.4
121.10152	1.0
122.07312	1.7
123.08064	0.5
123.11721	2.1
129.09137	0.3
131.04956	0.2
131.08546	0.2
133.10103	0.4
135.08069	0.3
135.11720	0.6
136.75482	0.2
137.05991	0.6
137.09627	12.7
141.09106	0.5
145.10158	0.3
147.04442	0.3
147.08064	0.3
147.11731	0.3
149.06030	0.2
149.09622	0.9
149.13266	0.3
151.03899	0.4
151.07552	0.7
155.10645	0.4
157.08604	0.6
159.11646	0.2
161.13272	0.2
163.14917	0.3
165.09122	100.0
166.09457	0.6
167.07074	0.4
169.08675	0.3
177.05507	0.3
177.09140	0.2
181.05009	0.3
187.09630	0.7
187.11154	0.2
189.12750	0.2
194.12761	0.2
201.11288	0.2
203.10709	0.7
203.17931	0.3
205.12247	2.7
207.10147	0.3
221.19064	0.4
223.13338	0.3
239.16454	0.2
245.15312	0.2
267.15988	0.3
291.23199	0.7
291.26398	0.2
293.20959	0.3
307.22620	0.3
319.22668	0.3
325.24051	0.3
337.23752	1.8
425.30688	0.4
443.31717	0.5
471.31052	0.5
489.32037	0.6
507.15839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68064	1.4
53.03951	5.7
55.01874	4.3
55.05516	25.6
57.03446	26.2
57.07083	6.8
61.02932	12.0
64.74203	1.6
67.05179	3.3
67.05516	53.3
68.21725	1.7
69.03437	50.8
69.07076	54.5
69.35170	9.4
69.35592	4.9
70.06572	2.2
71.01346	2.6
71.04989	10.1
73.02911	8.7
79.05496	21.7
81.03428	23.3
81.07066	73.5
83.04984	5.6
83.08630	28.2
85.02915	92.6
85.06550	8.2
87.04483	9.7
91.03980	3.0
91.05483	16.9
93.07056	28.3
93.07625	2.3
95.04978	3.3
95.08619	60.8
97.02901	39.9
97.06557	13.1
97.10178	24.7
98.20790	4.0
99.04456	12.1
99.08101	6.1
101.02399	3.4
103.03949	4.8
105.07038	16.1
107.08616	19.1
109.02892	18.1
109.06544	4.7
109.10172	30.5
111.08085	6.8
111.11713	10.7
113.09640	3.6
115.03946	4.4
119.08601	13.3
121.10158	25.5
123.08081	2.1
123.11733	14.0
125.09643	4.7
125.13263	5.5
127.03931	26.6
127.04832	2.9
127.11276	3.9
129.05486	4.4
131.08560	3.4
133.10147	14.6
135.11716	24.1
137.06023	8.3
137.09630	6.0
137.13306	8.7
139.11191	7.5
139.66747	1.8
143.10672	2.5
145.04994	11.3
145.06482	2.2
147.11687	10.5
149.13261	9.9
151.07581	4.5
151.11150	4.1
151.14807	3.2
153.10919	2.5
153.12793	6.6
157.10173	2.0
157.12311	2.4
159.11726	1.9
161.13261	10.9
163.14828	3.5
165.09117	7.0
165.12788	4.5
169.12305	2.0
171.13824	1.8
175.14891	5.6
179.14383	5.4
183.06538	2.4
189.09094	2.3
193.19521	2.2
199.07622	2.8
201.07568	6.0
217.19539	26.6
219.08614	2.9
235.20609	34.2
253.21651	23.0
259.09555	3.5
271.22693	3.6
291.23218	5.1
291.26755	1.9
309.24249	14.0
309.27472	3.0
327.25330	100.0
343.22891	1.7
345.26379	55.5
355.24686	3.1
381.39478	1.9
435.27621	3.4
453.28262	2.8
471.29428	6.5
507.31824	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	507.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01889	2.5
55.05508	4.7
57.07078	2.8
65.03954	1.5
65.21045	1.0
67.05510	13.9
69.07074	12.7
69.79034	3.8
69.79431	1.7
71.05001	1.2
71.08648	1.0
79.05499	12.4
81.03412	1.9
81.07066	47.4
83.04980	1.0
91.05482	7.7
93.07052	13.3
94.04198	1.9
95.04961	2.0
95.08062	2.0
95.08620	26.4
97.06541	1.2
97.10194	1.2
98.20741	1.3
102.43389	1.0
105.04515	1.8
105.07021	2.9
107.04979	5.3
107.08607	11.0
108.05757	3.4
109.06525	1.9
109.10156	7.8
115.05457	2.4
117.07016	1.5
120.64846	1.1
121.06530	1.5
121.10181	1.1
122.03619	2.7
122.23432	0.9
123.08079	1.5
123.11736	2.2
125.67970	1.0
128.06250	1.4
129.07025	2.8
131.04970	2.2
131.08585	1.4
133.06448	1.0
135.04434	13.4
135.11696	10.8
136.05217	5.1
136.46899	1.0
137.05997	36.9
137.13289	6.7
141.07034	1.1
143.04950	3.3
143.08566	2.5
144.05684	1.1
145.06505	3.4
145.08812	1.0
145.10094	1.3
147.08134	1.1
149.02368	4.6
151.03929	49.7
151.05000	3.9
151.07555	100.0
153.12779	3.1
157.06503	2.6
158.07312	2.0
159.08081	2.7
160.05267	1.8
160.08850	1.4
161.05972	4.0
163.03935	1.6
163.07521	2.5
165.05486	23.3
165.06880	1.7
165.09120	3.9
167.07120	1.7
171.08061	3.4
172.08812	2.1
173.05978	2.2
174.06769	5.6
175.07578	5.3
177.05435	1.2
177.09146	4.6
179.07024	3.1
180.07727	1.1
185.05901	1.3
187.07564	3.5
188.08308	1.5
189.09103	19.8
191.07124	1.5
191.10699	3.4
193.08644	1.5
199.61838	1.2
201.09119	8.3
203.06993	2.3
203.10675	8.1
205.08665	3.5
205.12363	1.2
213.09229	2.2
215.10623	2.2
217.08641	3.1
219.10110	6.0
221.09731	1.1
225.09239	1.0
227.10590	1.7
231.10240	3.4
233.11769	1.2
239.10663	1.3
246.06924	1.2
250.22739	1.1
261.09106	2.6
265.12173	1.3
271.16989	1.3
273.18729	1.1
277.08810	1.4
278.09451	1.2
283.09747	1.5
287.16721	1.4
289.08487	1.5
291.10187	2.6
292.11008	1.5
293.11691	1.2
297.11325	1.5
302.22903	1.4
303.09845	1.4
304.10992	1.7
305.11600	1.2
307.09793	1.1
308.10330	1.8
309.11356	1.2
311.12729	1.1
319.09625	1.5
320.10522	1.5
321.11111	2.1
323.12811	2.7
325.10779	1.8
325.14386	2.6
335.12769	8.0
337.10800	1.5
337.14258	2.5
339.19464	1.1
341.13745	1.7
349.14343	1.6
353.13824	12.1
355.11874	4.6
361.14224	1.4
369.13138	1.1
371.14896	22.6
375.16006	2.2
379.15482	1.6
385.16556	2.9
418.21503	11.2
419.22339	1.4
431.22366	1.4
447.26172	1.8
471.24994	2.5
477.26331	4.4
485.04230	1.2
489.26450	6.1
507.27744	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	507.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01876	2.1
55.05524	5.8
57.07073	3.5
63.65435	1.1
65.03944	1.8
65.10728	1.0
67.05509	15.2
69.07075	12.9
69.74489	0.9
69.79092	3.7
69.79501	1.8
73.66508	1.1
77.37339	1.1
79.05502	10.3
81.03416	1.9
81.07064	47.0
83.08646	1.7
91.05504	8.2
93.07052	17.1
94.04224	1.1
95.04967	2.3
95.08617	25.3
97.10208	1.3
98.20776	1.4
100.66374	1.0
105.07045	3.4
105.17921	1.0
107.04979	5.5
107.08611	9.5
108.02084	1.1
108.05749	1.5
109.06539	1.4
109.10177	7.0
115.05450	2.3
117.07037	2.7
119.08591	1.5
121.06525	2.9
121.10160	2.0
122.03671	2.8
123.11725	1.5
128.06255	2.1
129.07048	2.1
130.30312	1.1
131.04993	1.3
131.08549	1.6
135.04413	14.0
135.11708	8.2
136.05212	4.2
137.05997	37.3
137.13252	7.4
141.05457	1.3
141.07024	1.2
143.04916	3.5
143.08551	2.5
145.06458	3.0
149.02377	4.6
149.06018	2.2
151.03934	50.4
151.05005	3.8
151.07556	100.0
151.11151	2.4
153.12778	2.9
157.06534	1.6
158.07257	2.4
159.08070	2.3
161.05991	2.1
163.03987	1.3
163.07558	2.4
165.05493	23.6
165.09195	2.9
167.06993	1.4
171.08157	3.2
172.08821	1.7
173.05995	3.1
174.06779	4.8
175.07600	5.3
176.08354	1.1
177.09120	4.9
179.07034	2.7
181.06416	1.3
185.09654	1.4
187.07564	4.3
188.08389	2.6
189.09123	16.0
191.07127	1.1
191.10704	4.2
195.08060	1.8
199.07516	1.5
201.09106	8.1
203.07124	2.1
203.10675	7.8
205.08589	2.9
209.09831	1.6
213.09116	1.7
215.07069	2.2
215.10680	2.5
217.08673	3.1
217.12308	1.6
219.08257	1.9
219.10141	6.9
223.07701	1.3
225.09233	1.2
225.83670	1.3
227.10817	1.5
231.10284	2.7
239.10713	1.4
241.08626	1.1
249.08954	1.2
255.10188	1.3
259.16687	1.3
261.09262	1.4
266.22467	1.3
271.17081	1.3
275.10593	1.9
277.08624	1.6
278.09659	1.3
291.10150	2.1
297.11386	1.6
298.11975	1.5
303.10086	1.7
304.10989	3.3
305.08075	1.8
305.11578	1.2
307.13470	1.3
308.10480	1.1
309.11295	1.5
309.18552	2.0
311.12601	1.8
316.10974	1.3
319.09570	2.3
319.13129	1.5
320.10559	2.0
325.10840	2.3
325.14490	1.2
335.12872	10.3
337.10669	2.1
337.14438	3.0
341.13864	1.8
349.14172	2.1
353.13919	13.1
355.11710	4.1
371.15012	18.5
375.08801	1.1
385.16669	2.1
403.19180	1.3
418.21326	9.3
431.22327	1.5
471.25266	1.8
477.26294	3.1
489.26471	6.3
496.12744	1.4
507.27893	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	507.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.5
53.96670	1.1
55.01863	1.4
55.05507	1.4
57.07074	1.2
61.95596	1.1
65.03930	2.4
66.03050	1.1
66.04685	1.1
67.05498	4.0
69.07082	12.4
71.04980	3.0
71.52880	1.9
74.96953	1.0
79.05487	6.6
81.07071	13.8
83.04971	2.3
83.08604	2.3
91.05461	5.9
91.36012	1.0
93.07051	17.2
94.04181	1.1
95.04984	1.2
95.08591	4.4
97.06532	4.8
107.04904	1.2
107.08601	13.8
109.06529	1.2
109.10158	6.9
115.05458	4.8
122.03649	3.9
135.04430	28.2
135.11716	10.7
137.05989	100.0
143.04945	7.0
143.05836	1.1
149.02359	49.1
151.03874	3.8
151.07541	1.2
151.11160	2.4
153.12755	27.6
158.65497	1.4
161.05946	1.2
163.03922	1.7
173.05952	5.2
184.07352	1.9
187.07564	2.5
197.17957	1.2
201.05443	3.2
203.07065	3.9
219.08354	1.3
221.16301	1.2
238.14293	1.0
305.08154	1.2
309.11136	1.8
319.09723	5.3
325.10773	17.3
337.10718	9.9
354.11252	1.5
355.11722	14.7
507.23846	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	507.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01881	3.2
55.05514	3.9
57.03440	4.9
57.07079	14.3
60.24987	1.2
65.03938	1.6
67.05521	6.8
67.61200	1.5
69.07082	14.6
69.15446	11.2
71.08641	7.4
72.37315	1.3
79.05494	3.8
81.03423	5.7
81.07069	11.5
83.04996	6.0
83.08646	2.7
85.10195	3.5
89.67923	1.5
91.05492	4.6
93.07034	3.5
94.04202	1.8
95.04983	2.5
95.08616	10.9
97.06536	1.2
102.34885	1.4
103.05485	2.6
105.07059	2.7
107.04954	2.2
107.08611	3.5
109.10178	6.0
111.08059	1.3
115.05473	3.9
117.07037	4.5
119.08623	2.0
121.06510	4.6
122.03675	2.8
123.11668	1.9
128.06271	3.6
129.07036	9.1
131.04965	5.3
131.08604	2.2
133.10143	2.3
135.04419	13.8
135.08098	2.6
135.11664	2.6
136.05254	1.3
137.05997	100.0
137.13322	2.8
141.07050	1.8
142.07822	2.0
143.04941	4.8
143.08614	2.0
144.09505	1.4
145.06490	8.7
145.10176	2.3
147.08125	3.0
149.02365	3.8
149.06024	2.0
149.13220	1.4
151.03934	59.0
151.05045	5.6
151.07550	18.0
153.07037	2.4
153.12878	1.6
155.08531	3.9
157.06531	10.3
157.10199	2.6
158.07330	1.8
159.08101	4.6
159.11745	1.4
160.05170	2.5
161.06013	2.5
162.06810	1.6
163.03949	4.0
163.07542	8.8
165.05487	4.2
165.09213	3.3
169.06442	1.3
171.08051	3.1
173.05989	2.7
173.09641	5.1
174.06830	3.5
175.07590	20.3
176.99287	3.0
177.05438	1.8
177.09146	5.4
181.06570	2.3
183.08078	2.4
183.11636	1.8
185.06149	1.5
185.09651	2.9
187.07559	8.4
188.08337	3.6
189.09143	15.2
190.09950	2.0
191.07022	1.8
191.10651	3.4
191.14325	1.5
195.00322	75.4
199.07523	2.0
199.11295	2.9
201.09123	4.1
203.06989	2.2
203.10684	5.9
205.08644	11.6
205.10237	1.4
205.10579	1.7
205.12271	11.5
209.09557	1.6
213.12801	1.5
215.10767	5.7
217.08788	6.7
217.12236	20.4
219.10251	12.7
219.13789	27.3
227.10808	1.6
229.12202	2.1
231.13779	3.9
232.14246	1.8
233.11777	5.5
235.09723	4.0
243.13959	3.0
248.08621	1.5
255.13837	3.9
257.15308	3.1
259.16891	6.4
265.12277	1.9
271.16974	3.7
273.18558	11.1
275.10669	2.4
277.08655	4.1
285.15341	1.4
287.16638	2.6
287.20068	2.8
290.09406	1.3
291.10410	3.3
295.09668	3.0
297.11548	1.5
303.10022	1.5
307.09729	2.9
313.27405	17.9
315.15787	1.4
319.09848	2.1
321.11316	3.7
333.11441	1.5
335.12802	4.5
353.13879	4.2
355.22894	3.0
365.13898	3.1
371.10977	1.6
371.15085	2.2
383.14822	3.9
403.19284	2.6
419.22513	6.6
421.19852	6.9
439.21082	7.8
489.26505	9.4
507.27151	42.0
507.33401	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	507.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.9
53.03950	8.2
55.01892	4.9
55.05519	7.4
57.03439	1.2
58.39050	0.9
64.83316	0.9
65.03939	1.4
67.05511	19.4
69.03432	1.4
69.07064	2.3
71.52725	1.1
71.77612	0.9
77.03892	1.7
79.05507	8.4
81.03411	3.3
81.07060	16.9
83.04985	0.9
83.08618	3.9
91.05492	27.7
93.07052	96.6
94.04188	0.9
95.04988	9.1
95.08620	9.5
98.98476	4.4
103.05456	1.6
105.03399	1.2
105.04521	4.1
105.07024	3.0
107.08586	3.4
108.02132	1.3
109.06536	1.0
109.10156	3.9
109.99579	0.8
111.08092	25.1
115.05457	2.2
117.06979	1.7
119.08568	1.2
121.10131	2.5
122.03632	1.6
123.11739	2.1
128.06250	1.0
129.07025	1.5
131.04971	1.3
131.08534	1.7
133.10114	2.4
134.92203	0.9
135.04430	100.0
135.11678	1.6
137.05989	29.4
141.05415	1.2
141.94283	1.0
143.04919	6.3
145.06485	1.5
149.02351	10.2
149.13347	1.3
151.03923	87.2
151.05019	6.0
151.11169	1.3
153.12773	6.0
155.00998	2.2
159.04463	1.4
160.05165	1.6
161.05968	1.0
165.05461	2.6
173.06003	7.5
175.07603	5.2
177.05515	1.5
185.05930	2.2
187.07574	3.1
189.09053	1.5
193.08607	1.5
201.05580	1.4
203.07036	4.0
205.08614	2.1
219.08015	1.6
219.17532	1.6
219.24275	1.0
229.14259	1.0
243.21109	1.3
247.07603	1.5
259.07547	2.1
261.22125	1.1
279.10199	1.0
287.07040	2.1
307.09851	1.2
309.11267	1.9
319.09628	9.8
325.10767	8.9
335.25821	11.4
337.10785	12.6
355.11795	64.4
397.16727	1.1
401.61368	1.0
440.74985	1.0
489.22806	1.2
489.36099	1.5
507.23962	14.4
507.42612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
54.31513	1.4
55.05519	7.3
57.07067	5.3
65.03941	1.6
67.05507	18.0
69.07071	13.4
71.04976	2.2
71.08636	2.2
79.05497	11.8
81.03436	2.5
81.07059	33.8
83.08599	3.4
91.05485	6.3
93.07051	10.2
95.04931	2.8
95.08618	20.8
97.06526	1.6
97.10194	2.7
103.05477	1.4
105.07011	5.6
107.04951	2.0
107.08583	6.1
109.10164	9.4
115.05447	2.9
117.07042	3.5
119.04915	1.9
119.08604	2.7
121.10215	1.8
123.11700	2.8
129.07002	4.4
131.04866	2.7
131.08594	3.4
133.10149	3.1
135.04427	100.0
135.11685	3.6
137.06023	1.6
137.13271	11.2
143.04951	3.2
145.06477	5.2
147.04381	1.6
149.02365	8.9
149.06004	2.5
149.13281	3.6
151.03931	14.9
153.06932	1.6
157.06430	2.4
159.08086	1.9
161.05905	2.0
165.05443	8.3
173.06032	14.4
175.03862	1.9
175.07553	3.5
177.05499	4.2
179.03395	2.6
179.06993	1.9
180.95525	1.5
183.37308	1.6
185.06015	6.0
187.07518	4.9
189.05496	3.8
191.07076	2.2
199.07631	2.9
201.05513	8.0
203.07028	9.4
211.07599	3.3
213.05441	5.0
215.06999	11.0
217.08609	2.9
219.06342	2.1
225.05504	3.1
227.06912	2.1
231.10201	2.1
233.08015	3.0
239.07030	3.3
241.08583	2.1
243.06497	3.1
245.08195	2.9
247.07600	3.3
267.06763	1.6
267.09882	1.7
275.06836	1.7
277.08530	5.1
282.05234	6.7
285.14777	3.8
287.16360	2.2
289.08597	2.7
295.06061	19.5
305.08173	4.2
307.09570	2.2
321.07605	3.4
323.08926	2.9
333.07513	2.5
335.09235	10.2
337.10635	4.6
337.18030	3.2
347.09048	8.3
349.10767	3.0
353.10190	7.0
365.10220	14.8
367.11996	2.2
367.18964	7.7
383.11206	5.4
385.13058	1.9
418.17728	6.6
459.21643	2.1
471.21558	5.9
489.22824	29.8
489.35400	3.5
507.23987	16.4
507.40771	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	507.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
51.72985	0.4
53.03939	1.4
55.01863	1.0
55.05500	1.8
56.56873	0.4
67.05497	2.2
69.03407	0.6
69.07070	0.9
69.25989	4.4
69.33976	0.5
70.06584	1.6
71.04990	1.7
71.06929	0.6
77.03915	0.7
77.95971	0.5
79.05486	3.7
81.03425	4.4
81.07071	6.7
83.04977	1.0
91.05489	3.7
93.07063	3.1
95.04979	1.1
95.08595	2.1
97.06529	0.7
98.21516	1.2
102.62290	0.5
103.05473	1.3
104.14196	0.5
105.03413	1.2
105.04457	0.5
105.07050	3.1
107.04955	0.9
107.08601	2.4
109.06532	1.7
109.10163	2.4
115.05470	3.7
117.07009	1.9
119.05039	0.7
119.08601	1.9
120.38779	0.5
121.06521	0.6
121.10162	0.6
123.04442	0.6
123.08041	0.9
123.11720	8.9
128.06235	2.4
128.07085	1.6
129.07016	8.3
131.04968	2.4
131.08575	1.8
133.10133	2.2
134.09669	0.5
135.04424	100.0
137.05991	5.2
141.07018	0.8
143.04959	3.6
143.08577	1.7
145.06490	3.1
145.10106	1.0
145.27127	0.5
147.08076	0.7
149.02359	6.3
151.03984	1.3
151.07582	1.1
151.11195	4.0
154.08601	0.5
155.06090	0.6
157.06520	7.8
157.10124	1.2
159.04439	1.0
159.08064	1.0
161.05980	2.5
165.05481	0.7
166.82916	0.6
167.08537	0.6
171.08037	0.7
172.05295	0.6
173.05986	17.5
173.09615	1.6
174.06770	0.7
175.07568	4.4
177.05476	0.6
179.08629	1.0
185.05988	7.6
185.07484	0.7
186.06799	1.7
187.07547	7.6
189.09091	3.4
195.08038	1.0
195.11955	0.8
197.05884	0.7
198.03883	0.5
199.07558	1.1
201.09160	2.5
203.07033	11.8
203.08775	1.1
203.10687	1.1
211.07553	0.6
213.09145	1.0
215.07040	6.5
217.08533	0.7
219.08160	0.8
221.09578	1.0
225.09215	0.6
227.10791	0.8
231.08076	0.7
233.08047	3.6
237.09126	0.7
239.10657	1.4
249.09148	0.9
251.10585	1.0
253.12302	1.0
264.07953	0.5
273.08954	0.6
276.08072	0.6
277.08670	0.8
281.08084	1.0
285.14963	0.9
287.16580	0.9
289.08636	1.2
290.05499	0.6
294.08994	0.5
295.11246	0.6
301.08450	0.7
305.08185	0.6
307.09653	0.6
319.09650	1.3
321.11270	1.6
325.17786	0.7
326.09512	0.6
331.09805	0.7
332.10379	0.6
333.11273	1.5
337.17795	1.2
339.12796	0.6
341.11572	0.7
351.12216	0.6
359.12531	0.7
369.13596	1.2
371.12671	0.9
373.14349	1.6
385.14063	0.7
401.17661	0.7
403.15411	1.6
418.17770	0.7
421.16461	4.2
441.20950	0.6
459.21628	1.4
463.34009	0.8
471.21939	1.5
489.22876	4.0
507.23846	3.4
507.33090	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	507.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.1
51.91252	0.8
53.03944	1.5
55.01869	1.6
55.05518	4.7
57.07071	3.5
65.03949	1.0
67.05505	11.4
69.07070	11.0
69.74664	4.5
71.08629	2.0
71.57452	0.9
77.03918	1.5
79.05496	9.2
81.03415	1.9
81.07065	33.6
83.08613	2.3
85.06538	1.1
91.05476	4.0
93.07069	5.7
95.04974	3.0
95.08615	26.9
97.10181	1.4
98.21491	2.0
103.05492	1.6
105.03408	1.8
105.07031	2.2
107.04982	1.4
107.08605	2.8
109.10170	8.1
111.11723	1.7
115.05476	4.4
117.07041	3.3
119.04941	1.6
119.08589	1.5
121.10188	0.8
123.11700	1.6
129.06985	4.4
130.80293	0.9
131.04953	2.9
131.08580	2.1
133.10150	1.1
135.04427	100.0
135.11684	2.2
137.13272	17.2
139.54689	0.8
141.07057	1.2
143.04932	2.2
143.08601	1.0
145.06483	6.0
147.04402	2.9
149.02359	6.5
149.05978	1.9
151.03896	10.5
157.06561	3.2
159.04459	1.8
159.08044	2.2
161.05991	3.1
163.03920	1.4
165.01781	1.4
165.05481	9.8
169.06479	0.9
173.06003	20.6
175.07594	2.4
177.05464	3.7
179.03387	7.8
181.06474	1.5
181.10046	1.0
185.05994	8.9
187.07571	3.0
189.05524	7.0
189.11340	1.0
190.07669	1.1
191.07047	3.1
193.04965	1.4
197.05991	2.7
201.05472	10.4
203.07034	8.2
203.08603	1.1
205.06726	1.1
205.08565	1.9
209.05980	1.2
211.07593	1.4
213.05481	2.7
214.06219	1.1
215.07016	11.0
217.08627	3.0
219.08087	2.9
221.05803	1.0
225.05502	2.6
225.09229	0.9
227.07082	2.3
229.08542	1.3
229.14305	1.6
231.06470	2.6
233.07907	1.8
235.07571	2.9
239.07027	4.1
243.06462	1.8
245.08192	3.0
247.07567	2.2
249.09178	2.1
261.09253	1.4
263.06952	1.4
265.04929	1.2
265.08539	1.7
267.06461	1.2
273.14758	1.2
275.07150	2.9
277.08606	4.0
279.10306	1.8
282.05246	5.8
283.06055	3.5
285.14929	1.9
287.07040	1.5
287.16461	2.0
289.08600	3.8
291.06802	1.4
293.07993	1.3
295.05991	18.0
297.07507	1.2
305.08118	5.8
307.06015	1.4
307.09595	1.6
308.06726	1.5
317.08231	2.4
319.09573	1.2
321.07458	3.4
322.08307	1.4
323.09271	2.6
329.08298	1.0
333.07486	1.9
335.09167	17.9
337.10767	3.4
337.18008	4.3
347.09177	6.3
349.10791	2.5
349.18048	1.2
353.10217	12.7
365.10248	15.0
367.11917	2.7
367.18994	8.7
379.11902	1.5
383.11313	5.0
385.12741	2.6
418.17810	6.5
459.21637	2.3
471.21774	6.3
477.22534	1.4
489.22745	30.2
489.34360	1.2
507.23962	17.1
507.34418	1.6
507.40820	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	507.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.05519	1.7
61.34170	0.3
65.03938	0.9
66.04720	0.5
67.05511	0.7
69.06732	0.5
69.07075	7.5
69.95539	0.9
71.04994	0.3
79.05504	1.4
80.45374	0.3
81.07054	1.2
81.97173	0.3
83.04971	0.4
91.05495	1.7
91.97658	0.3
93.07058	4.6
94.04192	2.3
95.04961	0.6
95.08604	0.8
97.06548	0.4
98.21512	0.4
103.05474	0.4
105.07007	0.6
107.04965	1.1
107.08585	3.7
108.40422	0.3
109.06528	0.3
109.10169	0.8
115.05476	3.4
117.07017	1.4
119.08582	0.4
119.71741	0.3
122.03661	5.5
123.04475	0.4
129.29248	0.3
131.04913	0.6
135.04427	15.2
135.11705	3.1
136.05209	0.5
137.05989	100.0
143.04936	8.3
145.06480	0.6
149.02357	19.2
151.03911	2.5
159.04466	0.4
161.05997	0.7
173.06003	5.7
175.07587	0.8
175.58771	0.3
185.05989	0.3
189.05476	1.1
191.07100	0.4
201.05470	6.5
203.07065	4.2
205.08696	0.6
219.06479	0.4
237.09073	0.4
271.17059	0.4
289.39178	0.3
323.09158	0.7
325.10733	19.3
337.10791	0.6
354.10999	0.7
355.11829	10.9
383.24951	0.3
393.17047	0.3
408.05554	0.3
459.21872	0.6
507.23831	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	507.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
53.03947	2.0
53.32790	0.8
55.01870	2.0
55.05507	1.5
57.09710	0.9
61.27805	0.9
63.00303	0.8
65.03944	1.8
67.05495	2.6
69.07055	2.5
69.72557	1.8
69.72955	3.8
71.04990	1.2
79.05495	6.0
79.15717	0.9
81.03424	7.4
81.07069	11.2
83.04978	1.0
85.06555	6.3
91.05496	4.7
93.07057	8.5
94.04205	0.9
95.04968	3.0
95.08629	2.4
99.23565	1.0
103.05447	1.8
105.04568	1.5
105.07019	3.3
107.04967	2.1
107.08604	5.2
109.06517	1.4
109.10167	1.9
115.05479	5.8
117.07025	2.6
121.06527	0.8
122.03673	4.3
123.04445	0.8
123.08086	0.8
123.11733	11.3
128.06233	2.7
129.07018	8.3
131.04941	3.5
131.08531	1.1
133.10133	3.0
135.04431	100.0
135.11685	3.7
137.05997	66.9
137.06905	1.6
143.04941	7.1
145.06461	3.1
145.10152	1.0
149.02361	44.0
149.05830	1.0
151.03914	8.6
151.07556	1.7
151.11180	3.4
157.06493	8.6
159.04478	1.5
161.05951	3.5
163.03964	1.6
165.05463	1.6
171.04507	1.0
173.06001	16.7
173.09586	1.3
174.06755	1.4
175.07539	3.3
179.08536	1.3
185.06001	7.7
186.06754	1.5
187.07565	10.4
189.05453	2.9
189.07091	0.9
189.09094	4.5
195.08109	1.1
197.05890	1.6
199.07500	1.4
201.05482	8.5
201.09093	1.9
203.07050	14.0
208.08864	0.9
215.07065	5.4
217.08636	1.5
219.06390	2.1
219.08301	1.2
221.09807	1.1
225.09038	1.4
231.06519	2.2
233.08107	3.2
239.10678	1.6
247.07651	1.8
259.07520	1.0
261.09015	1.2
277.08557	2.0
289.08600	2.4
304.07446	1.0
305.07990	2.0
307.09787	1.6
309.11292	1.5
319.09567	4.3
321.11285	1.1
325.10776	13.5
333.11133	1.2
337.10620	6.1
355.11829	10.7
373.13315	3.8
403.15417	2.4
421.16455	3.9
459.21884	1.0
471.21811	1.5
489.22433	3.7
507.23865	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	507.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01880	1.7
55.05519	6.8
57.03443	4.3
57.07074	1.0
61.02925	1.5
62.42081	0.9
65.03946	2.0
67.05513	8.8
69.03435	10.8
69.07079	7.6
70.06593	0.9
70.46289	0.8
71.05000	2.5
73.02908	1.5
73.44867	0.8
79.05495	5.4
81.03422	5.6
81.07069	14.2
83.08635	5.1
85.02438	1.3
85.02918	17.7
85.06567	1.6
87.04472	2.1
91.05489	27.3
92.76225	0.9
93.07056	5.0
94.04210	3.1
95.04967	4.0
95.08622	10.4
97.02917	7.4
97.06539	3.9
97.10177	4.8
99.04437	1.1
99.08119	1.1
103.05471	2.0
105.07044	3.6
107.04970	2.1
107.08608	5.2
109.02898	4.2
109.06522	2.5
109.10174	7.4
111.08121	1.6
111.11729	2.4
115.05494	2.0
117.07007	2.1
119.04958	20.5
119.08617	3.5
121.10173	5.5
122.03659	7.1
123.04412	1.9
123.08069	1.9
123.11723	2.8
125.09652	1.4
126.06853	0.9
127.03976	5.1
128.06258	1.7
129.07024	4.5
131.04947	2.9
131.08557	1.1
133.10138	2.7
135.04420	1.2
135.11671	4.7
136.05223	2.4
137.05992	100.0
137.13268	1.2
138.06314	1.0
139.05389	1.6
143.04936	2.4
145.05005	1.9
145.06490	1.8
147.11682	3.1
149.05986	13.1
149.09618	1.4
149.13243	1.8
151.03943	2.6
151.07559	64.3
153.05502	1.9
153.06917	1.6
155.14384	1.3
156.05669	0.9
157.06477	2.9
159.08023	1.0
160.05202	2.7
161.05995	3.1
161.13240	1.8
163.07568	2.6
165.09122	2.2
165.12788	1.4
171.07988	1.4
172.05252	1.0
175.07574	11.8
175.14714	1.2
177.05521	2.4
177.08994	1.4
180.44228	0.9
181.06517	2.3
184.05168	1.9
187.07559	8.7
189.09096	3.5
195.08110	1.1
196.05092	0.9
199.07559	38.4
201.05637	0.9
202.07947	0.8
203.08603	2.0
205.08640	3.7
207.08131	0.9
209.05908	1.1
210.06824	1.1
211.07573	4.7
213.09084	3.5
215.06984	1.3
217.08514	2.2
217.19518	4.0
219.10283	1.2
220.08716	0.9
221.06133	2.0
225.09119	2.1
229.08659	1.2
231.08084	5.0
232.08868	1.0
233.09731	1.0
234.06796	1.4
235.07486	1.1
235.20636	5.9
241.08588	1.7
241.19534	1.4
243.07976	1.0
245.09671	2.0
247.07629	1.8
248.08336	3.9
249.09093	3.0
251.06914	1.3
253.08665	1.4
253.21643	3.7
255.08195	0.9
259.07501	1.9
259.09793	11.2
260.08386	3.3
261.08997	2.1
262.05984	1.3
263.07132	1.4
263.10709	5.4
265.08612	2.1
267.10205	1.4
271.07407	1.5
271.09976	1.3
272.08145	2.3
273.08832	1.3
275.10727	2.1
276.07831	2.9
277.08655	5.5
277.11823	1.2
278.09488	1.8
283.09763	2.2
285.11310	5.6
287.10474	1.1
288.08105	1.2
289.08630	2.7
290.09442	2.7
291.10175	16.4
291.26785	1.1
292.07672	1.0
292.10999	1.7
294.09180	1.1
297.11322	3.4
300.07718	1.4
302.09451	1.5
303.10190	6.0
304.10995	1.2
305.08182	2.2
305.11728	4.3
306.08859	2.5
307.09689	3.2
307.13031	1.1
308.10529	2.8
309.11429	5.3
309.24310	2.3
315.10181	2.9
320.10464	5.1
321.11261	14.1
322.11917	1.0
323.12805	17.7
323.16577	0.7
327.25369	15.3
333.11142	2.5
334.12186	1.2
335.12885	24.3
337.14331	2.9
345.26468	7.3
347.12897	5.9
351.12390	5.4
352.12836	2.3
353.13986	2.2
365.13873	5.0
383.15100	1.4
385.10504	1.1
403.11823	1.7
407.12878	1.1
408.51669	1.1
418.14063	13.0
419.14838	1.1
421.16315	2.1
427.15308	1.2
431.14883	3.1
439.15366	2.4
459.18085	13.9
471.18036	6.5
471.29678	1.1
489.19205	9.4
507.20367	2.5
507.31293	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	507.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25834	0.9
53.03942	1.5
55.01866	1.3
55.05498	1.0
57.07057	0.9
60.14024	0.8
61.09375	0.8
65.03941	1.5
66.04725	1.0
67.05503	3.7
69.03428	1.2
69.07064	3.3
69.22329	8.6
79.05503	3.1
81.03407	2.7
81.07066	7.2
83.04978	0.8
83.08630	1.1
85.02914	1.5
85.06528	0.9
91.05488	26.1
92.08834	0.9
93.07040	3.1
94.04161	4.6
95.04984	4.8
95.08613	5.7
97.02922	1.0
97.06546	2.3
103.05456	1.1
105.07040	2.2
107.04945	2.2
107.08591	4.1
109.06525	1.8
109.10145	3.9
111.08012	1.1
111.11728	1.2
115.05446	2.2
117.07010	2.1
119.04948	17.2
119.08557	1.3
121.02879	1.3
121.10151	2.3
122.03662	7.1
123.04391	1.9
123.11714	3.4
128.06238	1.5
129.07019	3.9
129.07938	0.7
131.04927	2.9
131.08517	1.0
135.04430	2.0
135.11703	2.5
136.05186	2.3
137.05989	100.0
137.13271	1.6
141.06862	0.9
143.04893	2.0
145.06500	2.6
147.11684	1.5
149.06012	12.4
149.09564	1.1
149.13298	1.2
151.03889	2.8
151.07553	55.7
153.05492	1.3
153.07047	1.6
157.06555	2.1
160.05200	3.5
161.05945	3.0
161.38950	0.9
163.07576	2.4
165.05486	1.2
165.06940	0.9
165.09056	1.6
167.05003	1.2
171.08018	1.4
174.06772	1.3
175.07550	12.7
177.05482	1.3
177.09096	1.2
181.06577	2.0
184.05309	1.7
187.07539	6.4
189.09093	4.1
191.14386	0.9
193.06491	1.5
195.08134	1.0
195.12187	0.7
197.24829	0.8
199.07562	36.6
202.07825	1.0
203.08565	2.1
205.06801	1.0
205.08569	4.6
211.07487	3.1
213.09111	2.9
215.07118	0.9
217.06601	1.0
217.08623	1.9
219.08052	1.5
221.05971	1.7
225.09082	1.5
227.07005	1.1
229.05052	1.8
229.08821	1.1
231.08102	4.0
232.08879	1.8
233.06079	1.1
235.09569	0.9
237.09023	1.5
241.08594	1.1
243.08113	1.2
245.09619	1.9
248.08290	4.3
249.09218	2.3
251.06960	1.5
253.08714	2.1
259.07397	1.7
259.09732	11.7
260.08380	1.5
261.09122	2.4
262.09964	1.6
263.07138	1.6
263.10696	4.6
265.08835	2.3
267.10132	1.7
268.07260	0.9
269.08102	1.7
270.08856	1.0
271.07428	1.1
272.08383	1.6
273.08911	0.8
275.07416	0.9
275.10654	2.5
276.07834	3.3
277.08636	5.3
277.12015	0.9
278.09332	1.4
279.06619	0.8
279.10162	1.4
280.07352	1.1
285.11349	5.8
287.10431	1.2
288.08044	0.9
289.08591	2.3
290.09396	1.6
291.10220	14.8
291.26923	1.6
292.07544	0.9
292.10938	1.5
293.08096	1.6
295.09671	2.1
297.11255	1.8
302.09097	0.9
303.10208	4.4
304.10919	1.1
305.08173	2.1
305.11728	4.3
306.08887	2.8
307.09747	3.0
308.10516	1.9
309.11179	3.3
309.27905	1.4
311.12802	1.1
315.10168	2.5
316.72073	1.0
317.07986	1.2
319.09564	1.2
320.10489	3.8
321.11292	10.9
322.11963	1.4
323.08936	1.0
323.12796	19.3
333.11221	1.5
335.12823	23.5
337.14191	2.7
345.30167	1.0
347.12909	4.9
347.16299	1.0
351.12543	5.0
352.12982	1.3
353.13666	2.5
365.13864	3.1
369.13150	1.2
372.09848	1.3
383.14972	1.6
385.10907	1.3
403.11630	2.5
418.14194	12.2
419.14792	2.6
421.16547	2.1
427.15201	1.5
431.15042	3.0
431.22162	1.0
439.15302	1.5
459.18048	13.1
471.18124	5.8
489.19135	8.7
507.19998	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00991	0.9
63.37896	1.0
69.21193	3.2
69.21622	5.6
91.05482	1.6
115.05464	1.8
117.05772	1.2
118.06558	20.5
130.06517	1.6
132.08118	4.9
141.05495	2.9
142.06546	2.6
143.07291	1.8
144.04535	1.1
144.08101	10.5
146.06027	62.7
159.09189	5.7
160.07619	1.1
160.23506	0.9
170.06036	5.5
188.07091	100.0
201.82086	1.0
205.09758	39.6
493.06384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
58.06598	1.9
58.24334	0.8
59.39803	1.1
61.02916	1.5
65.00125	0.9
67.01871	1.4
69.03446	1.4
70.06592	3.2
70.69520	2.1
73.02927	1.3
74.71262	0.9
81.03422	1.0
85.02905	3.4
86.09666	1.5
87.58023	1.1
91.05467	1.1
93.07025	1.1
98.21542	1.0
103.03880	1.2
103.05463	1.4
107.04964	1.8
109.02897	2.4
115.05450	1.4
116.07092	1.1
121.02869	1.2
127.03929	1.5
131.05000	1.0
132.08142	1.5
134.06032	1.4
137.05966	1.4
139.03911	4.3
145.06528	2.3
146.06020	15.4
147.04448	2.5
148.07579	3.9
151.03903	4.2
153.01854	2.3
154.06537	1.3
156.08102	2.1
158.09383	1.7
159.06825	2.3
160.07591	49.8
163.03915	23.3
169.04926	1.2
170.06006	2.0
171.06743	1.1
172.07581	21.7
173.08408	2.3
174.09171	6.8
177.05421	2.1
177.10243	4.3
181.04968	40.3
181.63339	1.0
183.06734	2.2
184.07596	11.1
186.09178	3.9
187.03914	6.0
189.05556	1.8
193.04994	10.2
195.06554	1.6
196.07611	9.0
197.08353	10.2
198.09198	4.4
200.07062	2.1
201.05467	1.4
202.08641	12.2
205.04993	12.5
207.06607	2.9
208.07474	1.3
209.08282	1.8
210.09158	5.5
211.06049	3.3
212.07097	1.7
214.08699	2.0
219.06586	2.3
224.07040	1.3
224.10622	1.2
226.08641	9.6
230.08115	4.0
231.06578	2.0
233.08377	1.2
234.09181	1.5
235.06000	12.0
237.47125	1.1
238.08612	4.9
244.09683	5.4
246.07547	1.4
247.05902	2.0
250.08846	1.2
256.09787	1.7
259.06064	2.4
259.81342	0.9
260.82199	1.0
265.07062	1.2
266.07883	1.3
272.09195	100.0
274.10794	3.2
277.07089	2.3
280.09665	1.6
292.11969	1.8
295.07990	2.2
308.09155	1.8
310.07211	1.5
312.10706	1.2
313.09015	2.0
320.09274	1.8
322.13281	8.9
334.10776	2.0
336.08603	2.8
338.10178	4.7
339.15622	11.1
340.11868	7.0
346.10718	5.9
349.09439	2.3
350.10120	1.3
352.11795	6.4
362.12338	2.1
364.11826	35.5
364.16422	2.1
376.11850	2.4
381.14474	33.7
388.11874	1.0
394.12857	1.1
406.13068	1.4
428.13266	4.9
442.14996	2.1
453.16724	2.9
454.15176	9.8
460.16180	1.5
471.17697	11.3
472.16171	22.9
489.18588	3.9
490.17142	29.7
507.23395	1.5
507.30200	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	507.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84649	0.3
65.18208	0.3
69.82771	1.0
82.64008	0.3
85.02905	0.3
98.97627	0.4
105.07015	0.4
115.05439	2.3
115.92658	0.3
117.03471	0.4
117.05763	1.5
125.75069	0.3
132.08110	4.1
133.06516	0.8
135.04424	0.5
142.06538	0.5
143.07318	0.4
159.06828	0.5
160.07597	100.0
161.07889	0.8
163.03935	3.1
163.88260	0.3
177.10249	17.0
219.01877	0.4
243.07489	0.4
305.05582	0.3
323.06555	0.6
469.27386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78771	1.4
57.03440	1.5
58.06590	2.6
61.02916	2.1
66.84274	1.8
67.01872	1.5
69.03410	2.7
69.54053	1.5
70.06595	3.6
70.42249	3.0
70.42614	2.7
71.01345	1.4
73.02901	2.1
85.02898	4.2
107.04970	1.8
109.02879	2.8
111.45413	1.6
121.02877	2.9
123.04398	1.7
132.08063	2.7
137.06012	1.6
139.03882	2.2
145.06512	3.5
146.06017	14.3
148.07530	2.5
151.03934	4.0
153.01808	2.6
159.06779	2.2
160.07591	45.6
161.05922	1.4
163.03915	24.4
165.05403	2.4
171.06824	2.8
172.07602	18.0
173.08287	3.0
174.09193	7.0
177.05417	2.2
177.10204	4.2
181.04965	40.5
183.06778	4.1
184.07561	11.1
186.09151	3.5
187.03874	7.3
189.05525	2.2
193.04965	8.7
195.06583	1.6
196.07614	8.9
197.08391	10.2
198.09158	3.5
200.07127	2.0
201.05461	2.1
202.08595	12.5
205.04971	9.5
207.06522	6.4
210.09142	6.7
211.06056	2.5
212.07114	2.2
213.05432	2.4
214.08638	2.4
217.04982	2.1
219.06546	2.2
219.11441	1.5
226.08633	10.2
230.08182	4.4
231.06535	2.3
233.04327	2.5
235.06042	9.8
237.07516	1.9
238.08723	8.0
244.09807	7.4
246.07576	1.6
247.05891	2.0
249.07724	2.1
259.05997	2.6
261.07605	2.0
272.09186	100.0
274.10822	3.3
280.09717	3.3
285.07809	2.0
295.07996	2.0
303.08701	3.1
315.08829	2.2
321.14355	3.2
322.13309	9.0
326.10425	2.2
336.08694	2.7
338.10104	4.4
339.11292	1.9
339.15494	11.0
340.11752	5.9
346.10605	4.8
350.10422	2.2
352.11688	4.7
362.12402	3.4
364.11823	36.4
381.14481	34.1
428.13254	6.5
453.16364	1.9
454.14673	7.1
471.17654	9.4
472.16138	22.0
489.18732	2.8
490.17151	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1715
Annotation	Allobetonicoside
Peak:m/z	Relative Intensity
53.03937	0.7
53.68939	0.2
55.01880	0.5
57.03435	0.7
58.73556	0.2
61.02922	0.6
65.03968	0.3
67.05509	0.4
68.99792	1.3
69.03437	1.9
69.36781	1.9
70.06602	1.8
72.08147	0.6
79.05487	1.1
81.03432	1.6
81.07059	1.6
84.08145	0.4
85.02913	7.4
86.09696	0.4
86.84609	0.3
88.71783	0.2
91.03963	0.5
91.05518	1.4
95.04990	1.6
97.02905	2.2
97.06539	0.3
99.04467	1.0
105.03395	0.3
107.04940	0.5
109.02876	0.7
109.06537	2.7
113.06030	0.5
114.57872	0.2
116.07088	1.2
119.04938	1.6
120.08120	0.3
123.04446	0.9
127.03934	2.0
129.10246	0.4
137.05991	12.8
141.05476	10.3
145.05003	1.8
147.04466	0.4
150.03232	0.2
155.87396	0.3
155.88635	0.2
161.05992	0.3
163.03848	0.3
163.06123	0.4
163.07498	0.2
165.05495	24.6
177.05446	0.6
183.06546	100.0
184.06816	0.4
195.06541	1.0
207.06526	1.5
225.07550	1.3
229.15459	0.4
243.06487	0.3
249.07675	1.7
261.07660	0.5
273.07596	0.7
291.08618	0.7
304.08841	0.3
309.09799	0.8
327.10681	0.5
332.92938	0.4
345.11847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	8.4
63.57560	3.3
67.05495	8.7
69.77738	3.6
71.08627	5.6
81.03429	9.4
81.07059	10.1
83.08619	6.0
95.08607	8.2
116.90305	4.0
129.82671	3.3
133.10187	4.0
135.11708	3.5
137.09624	4.9
143.10593	3.5
165.09132	100.0
168.21249	3.4
175.49542	3.9
195.00340	4.1
207.43185	4.1
266.21695	3.5
291.26697	4.7
333.07605	3.9
425.34109	4.1
443.35208	42.2
506.39795	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	506.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83060	8.7
53.03940	12.6
55.05511	17.1
55.88271	9.3
57.07074	21.5
59.05000	11.7
59.87523	9.2
67.05493	54.5
69.07062	38.1
69.26800	25.9
69.27206	67.7
79.05489	43.6
81.03405	24.9
81.07056	100.0
83.05018	11.9
83.08615	18.6
89.03251	9.1
91.05479	53.0
91.96191	9.3
93.07048	78.1
95.04968	27.5
95.08611	70.2
97.06538	16.8
105.07018	39.4
107.08615	79.7
109.06505	21.9
109.10158	56.8
111.08152	10.0
119.08597	15.6
121.10162	34.9
123.11758	49.4
127.11198	14.6
131.08580	12.1
133.10141	31.6
135.11745	67.6
147.11716	12.9
149.13264	18.1
149.73083	12.7
151.11180	21.8
153.12822	12.0
157.10100	11.0
160.12054	11.8
178.84953	9.9
191.17827	12.4
217.19577	10.0
469.19174	12.3
500.84238	12.6
506.39041	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	506.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60424	1.9
53.03947	2.4
55.05515	9.4
57.07086	2.8
61.05522	2.5
61.26987	2.0
65.03948	4.2
67.05505	11.9
68.05036	8.8
69.03423	6.7
69.07074	9.0
70.06599	44.9
71.04997	3.1
71.52474	2.7
71.52863	2.5
72.08160	4.1
79.05505	17.3
80.05019	4.3
81.03448	3.5
81.07063	21.4
82.06593	7.0
83.05002	6.7
83.08619	6.7
84.08157	3.6
85.02927	3.7
85.06548	4.0
91.05492	23.8
93.07041	27.4
95.04964	6.0
95.08649	13.1
95.36617	2.2
96.08134	5.7
97.06522	6.6
98.06145	2.1
98.06945	2.3
98.22016	2.4
100.07620	27.2
103.05505	3.5
105.01869	2.8
105.03462	2.6
105.07046	47.4
106.06591	4.2
107.08605	25.4
108.08128	4.1
109.06529	3.8
109.10185	8.7
110.09730	2.6
114.05554	10.0
115.05471	3.5
116.06360	3.0
116.07082	11.4
117.07033	10.4
119.08585	31.6
120.08138	11.0
121.06534	10.3
121.10127	17.0
123.08085	2.8
125.09677	3.1
126.76226	3.1
128.06226	5.8
128.07091	43.9
129.06990	14.1
130.07832	3.1
131.08592	18.8
132.08133	3.4
133.10138	13.6
134.09694	9.6
135.08102	6.6
135.10542	2.8
135.11697	4.7
136.11273	4.6
137.05959	3.1
141.07010	6.5
142.07755	15.1
143.08586	31.3
144.09341	5.7
145.10130	24.5
146.09689	3.7
147.08109	3.0
147.11731	6.6
148.11206	16.3
149.09659	10.1
149.12054	3.3
154.08704	18.4
155.08597	9.4
156.09413	7.4
157.10147	33.3
158.10907	3.2
159.08138	9.8
159.11696	12.8
160.11194	12.8
162.12802	3.8
167.08589	5.9
167.10712	9.5
168.10278	6.5
169.10150	14.4
171.11684	17.8
172.11301	3.4
173.13309	8.2
174.12851	5.7
175.11322	2.5
178.08655	5.5
179.08575	6.1
181.10185	8.4
183.11757	16.5
185.13309	4.2
187.14861	2.8
189.12787	3.6
192.09315	3.6
193.10242	7.5
194.11865	17.6
195.11717	11.6
197.13344	11.1
199.14896	4.7
201.54689	2.3
206.11188	4.1
207.11670	12.5
209.13373	9.7
213.12668	2.8
215.14336	4.7
218.11751	4.8
219.12543	3.1
220.13342	5.0
221.13322	7.4
223.14943	6.0
233.13345	7.0
233.15395	42.7
233.17531	3.9
234.14119	2.9
235.14879	3.6
237.16434	3.2
244.12648	2.7
247.14870	7.2
248.15504	2.8
249.16592	3.6
258.14667	3.5
259.15192	2.3
261.16437	2.9
263.18039	4.0
265.19745	4.2
271.15625	2.9
272.16443	4.4
273.16446	4.6
281.18845	3.2
283.20670	5.5
284.16562	4.3
287.17963	2.8
303.42062	2.4
329.22870	3.9
334.27484	6.8
347.23831	3.7
352.26160	3.3
375.27194	2.9
396.25406	24.5
414.26437	35.7
460.32489	2.8
470.30746	9.5
488.31693	67.6
506.32809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.05516	10.9
57.07071	7.3
57.09035	1.8
59.04988	2.4
61.37590	1.8
65.03960	2.4
67.05509	18.0
68.05028	13.8
69.03415	4.3
69.07055	9.2
69.64221	9.2
70.06597	100.0
70.97774	1.9
71.05003	2.2
79.05501	20.8
80.05012	8.0
81.07059	29.8
82.06581	7.7
83.04984	6.5
83.08578	4.7
84.08142	15.2
84.72159	1.9
85.06519	2.7
88.67590	1.7
91.05486	30.5
93.07043	35.6
94.06527	1.8
95.04980	8.3
95.08610	17.3
96.08143	12.6
97.06530	6.2
98.06050	6.5
98.20779	2.3
100.07621	38.5
103.05463	3.8
105.07033	85.5
106.06582	6.8
107.07421	2.2
107.08605	27.9
108.08121	7.1
109.06535	10.7
109.10154	19.7
110.09708	3.1
111.08094	3.0
111.33253	1.8
114.05575	11.1
115.05475	4.5
116.07110	4.6
117.06998	14.2
119.08585	45.3
120.08099	10.6
121.06481	2.8
121.10159	17.0
122.09651	3.0
123.08063	6.8
123.11734	4.0
125.06023	4.9
126.09138	2.9
128.06216	10.4
128.07082	76.2
129.06985	16.7
130.07782	7.8
131.08588	23.0
132.08098	2.4
133.09019	3.9
133.10138	21.2
134.09673	11.4
135.08057	7.0
135.11687	8.0
136.11237	6.8
137.09631	5.5
137.84613	1.8
141.06964	12.1
142.07753	17.8
142.08643	3.1
143.08565	37.4
144.09360	5.1
145.10126	60.4
146.09637	5.9
147.08081	6.3
147.11700	10.2
148.11230	15.8
149.09630	4.3
149.12042	2.7
151.06372	2.2
151.07542	4.5
151.11084	1.9
152.07097	3.2
153.06970	3.9
153.09161	2.0
154.07578	2.9
154.08665	33.6
155.08572	11.8
155.10696	2.9
156.09354	12.7
157.10133	41.5
158.09698	3.6
158.10901	3.8
159.11694	20.5
160.11224	23.2
161.09660	3.8
161.13245	3.2
161.20711	2.2
162.12788	8.7
163.11180	6.6
164.07101	3.1
165.07007	3.7
165.09119	18.0
167.08612	5.4
168.10251	6.5
169.10144	25.9
170.10971	3.9
171.11681	20.1
172.11253	6.2
173.13272	6.0
174.12811	7.6
175.11212	5.7
175.14853	6.0
178.08736	9.6
179.08563	6.1
180.09315	3.5
181.10072	10.8
181.12254	6.7
182.11020	4.0
183.11740	22.6
184.11177	4.6
185.13278	13.6
186.12776	4.2
187.14815	3.3
188.14412	2.5
189.12749	3.3
192.10210	3.2
193.10159	7.0
194.11816	34.1
195.11690	14.1
196.12459	3.0
197.13304	10.2
198.12776	3.0
199.14874	5.0
203.14333	9.0
206.11938	3.5
207.11757	9.3
207.13734	2.8
208.12534	4.6
209.13286	11.6
211.14836	7.7
212.14262	2.8
214.15956	3.1
216.10229	3.8
218.11809	5.1
219.81482	2.0
220.13434	12.5
221.13277	7.2
221.15414	34.8
223.14952	4.1
224.14421	2.9
226.15941	6.3
228.17535	7.7
232.13277	4.2
233.13159	2.8
235.14848	6.0
237.16464	4.3
238.15910	2.8
243.99178	1.8
247.17003	2.3
254.19064	11.9
260.16406	1.9
265.19760	2.3
271.15720	3.7
272.16409	8.5
283.20499	1.9
287.20212	2.5
295.20483	2.2
298.18073	7.7
299.20151	3.4
303.34088	2.1
326.21210	2.4
365.25000	4.8
370.27496	9.9
375.27155	4.1
391.26486	3.4
393.27951	3.6
396.25327	4.4
414.26361	21.2
426.26416	2.6
444.32584	8.8
462.33743	54.3
488.31766	3.3
506.32693	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.2
55.05511	6.6
57.07071	7.8
58.06602	1.8
64.53471	2.0
65.03947	2.4
67.05505	15.9
68.05036	10.4
69.03428	8.4
69.07066	6.2
69.91609	10.1
70.06600	60.6
79.05501	18.0
80.05015	3.7
81.03429	3.8
81.07066	20.5
82.06583	4.9
83.05000	4.6
83.08631	4.7
84.08150	18.7
85.06539	4.2
91.05490	25.0
93.07059	36.7
94.06631	2.2
95.04976	8.0
95.08617	16.3
96.08128	13.8
97.06532	6.6
98.06061	3.3
98.21427	3.0
100.07623	27.5
103.05453	4.6
105.04568	2.3
105.07050	70.1
106.06580	5.8
107.08628	21.5
108.08130	9.0
109.06528	11.2
109.10167	9.5
110.09707	5.3
111.08040	2.4
114.05525	11.3
115.05456	3.4
116.07124	4.3
117.07044	12.5
119.08594	44.7
120.08129	14.2
121.06527	5.6
121.10130	15.4
122.09688	3.8
123.08023	10.4
125.05961	3.1
128.06239	7.4
128.07088	51.5
129.07034	14.6
130.07835	5.2
131.08589	18.8
132.08102	3.3
133.10130	15.4
134.09729	10.9
135.08070	6.5
135.11742	5.0
136.11223	7.0
137.09602	10.7
141.07005	4.4
142.07787	15.8
142.08693	2.3
143.08572	29.8
144.09352	4.7
145.10135	37.4
146.09712	4.3
147.08072	19.2
147.11687	7.2
148.11229	18.9
149.09669	4.2
150.12801	3.4
151.07545	8.2
153.09122	2.3
154.07553	3.2
154.08669	41.2
155.08621	9.4
156.09355	8.6
157.10141	35.3
158.09645	3.1
158.10899	3.3
159.08160	2.4
159.11739	17.4
160.11230	16.4
161.09659	2.7
161.13258	4.9
162.12814	7.4
163.11230	8.0
164.07146	3.2
165.09129	32.7
167.08633	5.6
169.10138	14.9
170.09641	2.3
170.10924	5.6
171.11720	17.4
172.11208	4.9
173.09656	3.0
173.11993	4.5
173.13347	6.1
174.12787	7.2
175.14883	3.1
176.14552	2.3
178.08662	6.9
179.08545	3.4
181.10147	3.7
181.12292	6.0
182.10970	2.9
183.11713	17.7
184.11295	2.7
185.13284	13.6
186.12878	4.6
187.14801	2.9
188.14441	3.9
189.12840	3.9
190.15926	3.1
192.10266	3.0
194.11781	32.1
195.11729	6.1
196.12601	2.6
197.13255	6.6
203.14287	12.6
207.11874	5.2
207.13795	4.5
209.13297	8.8
211.14877	6.8
216.10281	3.5
220.13432	11.0
221.13422	3.8
221.15390	56.4
223.14890	5.6
225.12915	3.2
226.15958	3.1
228.17577	8.1
232.13364	5.0
233.13406	2.9
234.14879	3.7
235.14951	2.4
237.16452	3.3
238.16090	2.5
240.17679	2.2
254.19127	16.6
272.16495	8.7
287.20184	8.4
298.18069	11.8
299.20227	5.9
325.21906	2.5
326.21286	4.0
365.24857	5.3
370.27560	5.2
391.26480	3.3
393.27899	5.8
406.27328	2.2
414.26563	13.3
426.26685	5.4
444.32700	5.1
453.74365	2.2
462.33682	38.9
470.30490	2.6
488.31339	3.7
492.95911	2.4
504.75928	2.3
506.32758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
54.86176	1.9
55.05516	26.9
58.25398	1.8
67.05506	4.2
69.07049	2.0
69.41187	2.0
69.50982	2.5
70.06572	2.7
71.07372	2.9
72.08162	41.5
79.05498	8.7
81.03420	2.8
81.07051	9.1
83.04988	100.0
91.05463	7.8
93.07039	7.9
95.04958	2.1
95.08622	4.2
103.05463	2.1
105.07034	6.3
107.04942	8.4
107.08588	4.7
109.02028	2.4
111.04437	25.6
114.97410	1.9
115.82640	1.9
117.07031	2.5
119.04990	2.2
119.08632	2.1
123.04444	4.7
129.05518	3.0
129.06963	2.6
131.04929	4.1
131.08585	3.5
135.04510	2.2
135.11670	2.2
137.05991	4.8
143.08586	2.2
145.06490	3.3
145.10144	2.9
149.13246	2.7
157.06516	3.5
158.07277	2.4
167.07083	21.0
173.05943	3.7
177.05394	2.8
181.06503	2.7
182.11778	99.4
191.07086	4.5
200.12842	2.5
213.09071	2.5
215.10693	3.3
217.08733	4.1
223.17018	2.4
231.10150	3.6
232.10870	2.4
247.13361	5.5
343.35074	2.0
411.25650	2.2
488.26385	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73512	1.0
53.03939	4.4
54.13425	1.0
55.01862	3.6
55.05521	11.2
56.05025	4.9
58.06603	2.9
65.03951	2.5
67.05507	8.4
68.02651	3.5
69.03446	5.6
69.07061	2.0
69.37599	9.9
70.06591	1.2
71.05044	1.1
71.05721	1.1
71.07374	14.9
72.08160	53.1
78.67219	1.2
79.05502	20.6
81.03416	4.7
81.07070	12.3
82.04196	1.1
83.04993	18.3
85.02902	2.4
91.05494	33.0
93.03395	1.2
93.07051	12.6
95.04978	7.7
95.08610	5.3
96.04488	4.6
97.06522	1.5
98.06030	1.1
103.05477	4.9
105.03385	1.4
105.07042	16.8
107.04962	21.2
107.08597	6.1
109.06492	3.8
110.06036	2.3
111.04442	3.3
115.05481	7.4
116.06226	2.0
117.07019	8.9
118.04196	2.0
119.04920	1.4
119.08575	4.6
120.05720	1.1
121.06495	4.5
121.10134	1.7
123.04416	4.4
123.08059	1.4
123.11658	1.6
124.05189	1.7
124.07611	4.6
125.06015	2.0
128.06235	4.2
129.07010	9.5
130.04173	1.8
130.07758	1.9
131.04980	5.9
131.08578	23.8
133.02898	1.5
133.06522	6.9
133.10110	1.9
137.06018	6.0
138.09212	1.2
139.09937	30.2
140.04614	1.3
141.06987	4.4
142.07785	5.6
143.04951	1.6
143.08569	2.4
144.05696	3.9
145.06497	8.6
145.10085	1.7
146.03682	1.7
147.04451	2.2
147.08115	2.3
147.11667	1.9
148.05180	1.6
149.06010	2.4
149.09650	2.5
151.03903	4.8
152.04633	2.0
152.06223	6.6
153.05684	2.0
153.06996	31.7
154.06262	2.8
154.07648	1.5
155.06039	2.8
155.08553	8.8
156.05696	5.9
157.06497	8.2
157.10159	3.3
158.07285	2.4
159.04535	1.4
159.08066	5.7
161.05968	6.4
163.03897	3.0
163.07558	1.6
165.05569	2.8
165.07004	6.4
166.07787	1.9
167.07076	54.7
167.08557	6.8
169.06502	4.1
170.07234	6.8
171.07997	2.8
173.05983	10.2
173.09508	1.7
174.06754	2.9
175.07558	4.3
176.04713	2.9
177.05467	5.2
179.08565	2.6
181.04951	11.7
181.06517	13.4
182.07297	3.9
182.11772	16.2
183.06642	1.5
183.08057	6.6
184.05072	1.7
184.08846	2.8
185.06050	1.6
185.09608	13.6
186.06714	1.5
187.07516	5.2
189.05505	3.5
189.09129	3.5
190.06168	1.6
191.07071	13.4
191.08580	2.4
193.08594	8.2
193.10158	2.3
194.07390	1.5
195.08070	3.0
196.07291	1.6
196.08913	1.3
197.06006	3.3
197.07971	2.0
197.09663	3.0
198.06738	3.9
199.07550	5.4
201.09125	2.9
202.06224	4.0
203.06943	2.1
203.08644	2.1
204.07813	2.7
205.08598	7.4
207.06427	2.5
207.08211	1.2
209.09692	1.7
211.07568	3.2
213.09099	20.2
215.07059	3.7
217.08626	20.8
218.09416	3.0
219.10103	2.3
220.08990	1.7
221.09697	4.9
223.07455	2.2
223.11072	2.1
225.09229	2.9
225.12749	1.6
227.06892	1.3
227.10718	2.7
229.08600	2.7
230.09386	5.1
231.10213	3.2
232.10951	1.5
233.07979	1.8
235.11319	2.3
237.09209	1.7
239.10692	3.2
241.08591	2.0
242.04750	1.2
243.10185	3.9
245.11761	34.3
247.09644	3.0
251.10675	3.6
253.12251	7.1
255.10147	2.7
257.11600	2.4
263.10706	4.2
269.11923	2.6
271.13391	4.0
273.11261	1.9
281.11526	2.8
283.13211	2.9
285.14795	7.2
295.13165	4.3
309.14481	1.5
313.14349	13.0
325.14291	1.4
339.15964	1.4
384.21750	21.7
389.19427	1.6
417.19003	5.0
488.26465	100.0
489.26199	1.7
506.27386	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	506.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.6
57.03433	0.5
61.02937	1.4
65.03960	0.7
68.77736	0.3
69.03438	2.4
69.19729	3.2
70.06603	0.9
72.08172	0.4
73.02940	0.6
81.03439	1.3
84.08158	0.4
85.02913	9.6
85.64298	0.3
86.09721	0.4
91.03960	0.4
91.05482	6.0
97.02899	2.9
98.20779	0.6
98.97605	0.8
99.04460	0.6
109.02887	1.3
116.07132	0.7
119.04949	16.7
119.07382	0.4
123.04440	0.8
127.03899	2.1
140.34131	0.3
145.04974	4.8
147.04419	100.0
162.07603	0.4
163.03865	0.4
163.06020	1.2
164.04494	0.3
164.06969	0.5
165.05489	54.6
167.07103	0.5
175.07570	0.4
177.05467	0.4
180.08650	1.7
182.08090	0.4
231.06458	0.6
249.07730	0.4
281.10590	0.7
309.09653	1.1
315.13480	0.6
344.13312	0.9
385.11441	1.7
443.15244	0.4
506.15448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57293	0.5
51.60486	0.5
53.03946	2.0
53.66940	0.4
55.01890	2.5
57.03443	4.4
58.06589	0.4
61.02932	8.8
61.14911	0.4
65.65009	0.4
67.05518	0.6
69.03438	16.2
69.07047	0.4
69.46526	2.4
69.46932	1.3
70.06595	1.9
71.01395	0.5
71.04997	2.5
72.08163	1.4
73.02909	3.4
79.05478	0.9
81.03432	6.7
83.01369	0.6
84.08150	0.6
85.02914	100.0
86.09727	0.7
87.04476	1.7
91.03967	5.5
91.05476	0.5
93.07037	0.9
97.02902	24.6
99.04476	4.4
101.02415	0.6
103.03996	0.5
103.05439	0.6
105.07050	4.0
109.02889	10.3
115.03965	1.0
120.08130	0.7
124.03931	0.8
124.05240	6.5
127.03931	25.3
131.08591	1.0
131.10745	0.7
133.06491	3.4
137.05992	6.5
145.04974	51.1
151.03946	1.2
160.25003	0.5
163.03961	0.7
163.06029	18.3
163.07405	0.9
165.09134	20.7
173.13251	0.5
177.05360	0.5
180.08730	1.9
181.74261	0.5
200.53085	0.5
223.13374	1.3
271.08157	0.7
325.11404	1.5
344.15140	0.8
367.00180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57325	0.6
53.00300	0.7
53.03944	3.7
55.01876	1.8
55.05510	11.7
57.03444	1.7
57.07079	34.0
58.23837	0.5
59.05016	0.6
65.03957	1.4
67.05508	34.0
68.56802	0.5
69.03433	1.4
69.07073	10.0
70.20279	1.9
70.20621	0.6
71.05003	1.8
71.08237	1.0
71.08635	24.6
79.05495	14.5
81.03423	75.6
81.07060	38.3
83.04998	2.4
83.08625	23.5
83.09122	1.2
83.62247	0.6
85.06569	1.6
85.10190	12.9
91.05488	18.2
93.07049	12.5
95.04977	20.8
95.08614	31.4
97.02914	1.4
97.06530	1.4
97.10176	7.2
99.08118	2.5
99.11776	0.8
103.05462	0.9
105.07037	12.9
105.07692	1.0
107.04957	6.4
107.08598	6.1
107.53474	0.6
109.06553	2.4
109.10159	17.3
111.04445	0.8
111.08102	5.7
111.11726	1.6
115.05485	1.9
117.07041	1.6
119.04940	0.8
119.08588	11.6
121.06540	2.0
121.10133	6.0
123.04478	1.5
123.08094	0.9
123.11708	5.1
125.13314	1.0
128.06226	1.4
129.07018	8.1
131.08578	6.4
133.06526	2.7
133.10152	4.9
135.04482	1.0
135.11699	3.4
136.05196	0.8
137.09673	1.8
137.13277	7.4
141.09114	0.5
142.07811	2.3
142.91719	0.7
145.06535	1.5
145.10185	1.4
147.08037	3.1
147.11696	4.7
149.09628	3.5
149.13351	0.6
151.03978	1.8
151.07550	9.8
151.08667	0.8
151.11250	1.1
151.14861	0.9
157.10144	7.8
159.11775	0.8
161.13249	1.1
163.11234	0.7
165.05551	1.0
165.09259	0.7
165.12804	1.8
173.06004	1.3
175.11197	6.6
175.14934	0.7
179.14325	8.6
189.05482	0.8
189.09148	0.8
190.25719	0.6
193.12253	41.5
195.08054	0.6
195.13916	0.6
201.05516	4.4
201.09236	1.5
203.07036	1.7
211.13303	1.2
212.91292	0.6
215.07034	1.1
221.22772	1.0
231.06612	2.5
231.13858	0.8
239.23738	7.4
241.08774	0.7
249.09218	0.9
249.14847	6.5
259.20715	0.8
277.21649	6.4
284.17508	1.7
289.08737	0.7
293.11816	0.9
298.08328	3.6
299.09274	1.4
305.08102	1.4
311.09314	2.6
320.10712	1.3
321.11411	1.4
324.10117	1.2
337.18033	1.0
339.12552	1.6
340.23737	1.2
351.12262	7.1
363.12204	0.8
369.13101	2.8
381.13580	1.6
434.21109	2.2
487.25183	2.3
505.26157	2.9
505.39072	100.0
506.39777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3509
Annotation	Yardenone A
Peak:m/z	Relative Intensity
53.03946	1.4
55.01877	1.0
55.05517	8.0
57.03447	1.4
57.07085	16.6
65.03965	0.5
67.05514	13.2
69.03432	0.7
69.07076	6.6
71.05009	0.7
71.08288	0.8
71.08647	9.2
71.53006	0.6
74.09696	0.5
75.25000	0.5
79.05502	6.9
81.03432	28.9
81.07069	14.0
83.04990	1.5
83.08630	12.8
85.06537	0.5
85.10195	6.4
88.64737	0.5
91.05495	7.8
93.07061	4.7
95.04980	7.5
95.08618	11.1
97.02887	0.9
97.06544	0.6
97.10184	5.4
105.07053	5.4
107.04967	2.0
107.08611	2.9
109.06546	1.3
109.10178	6.3
111.08097	2.7
111.11750	0.6
114.24685	0.5
117.07002	0.8
119.04981	0.6
119.08616	4.7
121.06507	0.8
121.10175	3.3
123.11744	2.2
125.09631	0.8
125.13252	0.7
129.07034	2.5
131.08603	2.6
133.06555	1.0
133.10165	1.9
135.11690	1.3
137.13277	1.2
142.07805	0.8
147.08083	1.5
147.11720	2.1
149.09618	1.7
149.13286	0.9
154.71613	0.5
157.10139	3.2
165.12799	0.7
171.51469	0.5
175.11189	3.3
193.12274	18.7
195.09961	9.3
208.38774	0.5
239.23752	2.9
249.14902	2.9
251.12555	2.8
311.25851	1.4
333.24130	1.1
417.16739	0.7
431.18463	0.9
445.20459	2.5
446.20685	1.1
505.22534	8.0
505.35178	100.0
506.34720	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
53.45915	0.6
54.97467	0.6
55.05518	15.6
56.05024	1.4
57.05816	2.1
57.16075	0.6
58.06599	1.0
67.05505	1.3
69.03444	0.6
69.07065	4.8
70.06603	2.7
71.39115	1.3
72.08163	100.0
74.02450	4.9
75.88080	0.5
81.07069	0.8
82.06586	0.7
84.08151	9.0
85.02936	0.9
85.04040	0.7
85.08956	0.7
86.09713	35.4
91.05481	1.5
93.07049	0.9
95.04985	2.7
95.08622	0.8
96.08134	0.7
97.42839	0.6
100.07635	1.5
107.04973	0.8
112.07615	1.9
117.07060	0.6
119.04966	2.8
121.06521	0.7
121.50983	0.6
123.04459	1.9
129.07045	0.7
130.08646	3.4
131.04974	1.3
131.08640	0.8
135.04564	0.8
136.07610	5.8
137.05983	5.4
138.09154	0.7
138.12769	1.2
141.10187	0.8
144.33546	0.7
146.06082	2.0
147.04407	3.0
147.08083	0.8
148.07658	0.8
151.03925	1.4
152.14445	1.2
154.15915	15.1
160.07668	2.1
161.09686	0.8
162.05595	0.7
163.03946	1.7
163.07603	1.2
165.05473	4.7
165.38368	0.6
166.12285	0.8
175.07582	4.5
177.09084	1.1
180.13846	0.9
181.05014	0.7
182.08231	2.8
183.14977	2.1
185.09607	0.9
187.07559	0.6
187.11314	0.9
189.05537	0.8
189.09102	7.8
190.12265	0.9
192.06648	2.7
201.09210	0.8
202.12288	14.6
208.13400	2.4
209.28587	0.7
210.03244	0.7
211.14474	2.0
213.09282	0.8
214.12360	0.6
219.10243	1.3
225.15973	4.1
230.11885	1.3
231.10202	9.0
239.14134	1.1
247.14604	1.9
248.12836	14.5
248.15179	1.1
251.08231	1.4
256.16736	0.7
258.11502	1.0
262.18130	1.0
265.15427	4.5
275.13898	5.7
276.12244	1.0
277.15408	1.5
280.19360	0.8
281.14993	2.9
293.15152	2.3
321.14566	2.8
324.23090	1.7
333.21857	1.7
339.91202	0.7
343.20352	1.9
347.19720	4.4
364.22507	0.7
374.20898	1.3
389.20758	3.8
392.21786	9.6
420.21320	73.1
424.23996	0.7
477.30811	4.7
487.29349	4.6
488.27585	52.2
505.17969	0.7
505.30258	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	505.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59407	3.3
51.75216	3.5
53.03924	5.0
53.17794	3.2
55.01864	4.7
55.05511	8.8
57.07068	3.2
65.51098	3.3
67.05499	12.5
69.03411	15.6
69.07069	21.4
69.62797	3.2
71.04993	16.3
71.53896	3.6
79.05509	21.4
81.03415	10.4
81.07061	75.4
83.05002	6.2
83.08595	6.9
84.86432	3.4
85.02915	32.4
85.06564	5.3
87.00849	18.4
87.30315	3.3
91.05488	11.8
93.06541	4.9
93.07051	42.4
95.04958	5.5
95.08617	45.1
97.02907	14.9
97.06527	5.8
97.10161	4.4
99.08105	5.3
105.01865	12.2
105.07037	30.1
107.08601	56.2
109.02865	8.9
109.06559	4.7
109.10170	31.2
114.02416	3.6
119.08592	49.6
121.06533	4.6
121.10147	17.7
123.11739	28.6
125.09656	5.3
127.03911	17.6
127.11171	21.7
131.08594	4.0
133.10144	38.9
135.11702	100.0
137.06006	9.2
137.13220	3.2
141.96304	3.4
143.10692	13.8
144.08064	12.8
145.04930	7.4
145.10129	7.8
147.11702	28.6
149.13231	10.8
151.03973	5.7
151.11200	3.8
153.12718	5.9
159.02841	5.6
159.11749	8.4
160.12408	4.0
161.13252	14.1
163.07483	3.6
163.14812	3.6
165.09128	7.4
175.14803	3.7
186.09238	4.9
189.16411	4.8
203.16290	5.1
203.17990	61.9
221.19040	74.2
239.14378	4.3
239.20070	9.8
257.16495	11.6
285.45612	3.7
329.21521	3.9
470.22977	4.1
505.36493	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	505.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
54.45868	0.5
55.05507	1.5
57.03442	3.3
57.07077	0.6
67.05502	1.3
69.03092	0.8
69.03436	13.0
69.07067	2.1
69.90853	0.7
70.06587	1.1
70.56883	0.8
70.57211	1.1
72.08164	3.7
76.12401	0.6
79.05492	1.2
81.07063	9.9
83.08626	0.7
85.02442	0.8
85.02913	10.4
86.09708	1.6
87.04485	8.4
91.05476	4.0
93.07063	3.1
95.08619	12.0
97.02906	8.1
99.08109	2.2
105.07039	10.8
107.08601	6.9
109.10139	1.5
113.09662	1.6
115.03180	0.9
115.03938	11.0
115.05397	0.5
117.07026	1.1
119.08591	35.0
121.10153	1.1
122.03659	1.3
123.11715	1.4
127.35236	0.7
130.83147	0.6
131.08588	1.4
133.04968	9.9
133.10141	42.8
135.11693	9.3
137.05992	17.5
138.06343	7.3
139.06476	2.6
145.04947	1.6
147.11694	2.4
153.46556	0.6
154.15944	1.0
160.05211	0.9
160.12428	0.7
161.05957	1.5
162.06306	1.3
173.13228	0.7
175.07579	3.6
175.14836	100.0
176.07883	2.0
177.08115	1.0
188.07843	1.1
192.08965	0.7
193.15889	12.0
202.12196	0.8
211.16939	10.7
219.08008	1.5
220.08386	0.9
248.12823	0.8
251.10637	1.1
253.11194	1.0
279.10104	0.9
280.10571	0.9
281.11050	1.3
291.10300	0.8
293.10687	0.7
311.12811	1.9
312.13089	2.3
313.13495	3.3
323.12970	1.3
325.13422	2.1
420.21222	2.9
463.93863	0.6
488.27634	1.4
505.30103	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
53.03957	2.3
55.01865	1.8
55.05508	1.3
57.07085	1.1
58.97341	0.5
59.37405	0.4
65.03934	1.0
67.05513	4.8
69.07071	2.9
71.52791	0.9
73.10551	0.5
77.03924	0.6
79.05502	7.0
81.03423	1.9
81.07069	22.5
83.08637	0.6
91.05479	2.9
93.03363	0.6
93.07057	7.8
95.04966	2.5
95.08620	9.7
105.03407	1.5
105.04553	0.8
105.07021	1.4
107.08607	4.6
109.10172	3.5
115.05516	1.4
117.07033	1.2
119.08577	0.8
123.04444	1.0
129.07051	0.7
131.04919	0.8
131.08589	0.9
135.04436	100.0
135.11679	3.6
137.13312	3.1
143.04892	1.1
145.06493	1.1
147.04344	0.6
149.02373	4.3
151.03915	6.8
155.03320	0.7
157.06462	0.5
159.04478	1.2
159.08078	1.4
161.05992	0.8
163.03897	1.0
165.01857	30.7
165.05501	3.5
173.05994	2.9
175.03946	1.1
175.07573	0.5
177.05467	0.6
179.03415	4.5
183.04489	0.7
185.06029	1.0
187.07587	4.9
189.05502	1.7
191.03429	0.7
201.05527	1.0
203.07027	2.4
213.05573	1.0
215.06932	0.6
217.08568	2.4
233.08105	1.0
235.07582	0.8
247.07689	0.6
263.07074	0.7
265.08646	0.7
275.07080	2.2
291.06665	0.7
293.08218	1.8
297.43924	0.5
303.06592	1.6
309.07828	0.8
321.07721	1.4
323.09186	2.1
333.07529	4.4
339.08737	1.4
351.08701	7.0
365.10583	0.6
369.09763	7.7
475.21494	2.7
487.21283	1.5
505.22284	35.1
505.38843	1.1
533.51910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43655	0.5
51.02368	0.9
51.15785	0.5
53.00279	0.6
53.03929	1.7
55.01883	3.4
55.05511	3.4
57.07080	4.7
60.47866	0.6
65.03930	1.4
67.05513	4.8
69.03416	0.6
69.07076	6.8
71.08630	2.6
74.58688	0.6
77.03927	0.7
78.96405	0.5
79.05490	5.3
81.03423	11.0
81.07062	11.4
81.20220	0.5
83.04967	1.6
83.08625	3.4
85.10181	1.1
91.05470	4.6
93.07053	3.4
95.01326	0.7
95.04962	1.8
95.08617	7.7
97.10168	1.7
103.05502	3.4
105.03344	0.6
105.04510	0.6
105.07044	3.6
107.04944	1.6
107.08620	3.7
109.06513	0.8
109.10152	5.6
111.08081	0.8
115.05456	4.4
117.07030	3.9
118.45760	0.6
119.04989	0.7
119.08535	2.7
121.06507	1.2
121.10152	2.2
123.08033	0.7
123.11732	3.3
128.06230	3.2
129.07016	10.5
131.04958	4.3
131.08566	3.2
133.06517	0.8
133.10143	1.7
135.04428	100.0
135.11690	1.0
137.05984	2.6
137.13260	1.7
141.06999	1.2
143.04956	3.4
143.08586	2.2
145.06500	5.9
145.10071	1.1
147.04457	1.0
147.08015	1.2
147.11696	0.8
149.02356	31.4
149.06015	1.2
149.13287	1.0
151.03871	1.7
151.07558	13.0
153.07056	0.8
155.08566	1.8
157.06497	8.7
157.10130	1.9
158.07320	1.0
159.04410	1.6
159.08067	3.0
159.11682	1.2
161.05971	3.4
161.09624	0.6
163.03893	1.7
163.07585	1.7
165.05606	0.7
165.09157	2.2
169.06483	0.7
169.10210	0.9
171.08046	2.9
171.11713	0.7
172.08862	0.8
173.06000	18.3
173.09669	1.5
173.13277	0.7
174.06728	1.1
175.07549	5.3
175.11226	1.5
175.14755	0.9
177.05470	1.1
177.09079	3.6
181.06560	1.1
181.10126	0.7
183.08069	1.9
184.08865	0.7
185.05995	5.6
185.09648	2.3
186.06822	2.7
187.07578	9.2
187.11241	0.9
189.05534	0.9
189.09111	7.4
191.10690	3.3
193.10497	1.0
193.12263	3.5
194.86156	0.6
195.08044	1.4
197.06052	1.7
197.09669	1.6
199.07579	1.4
200.08429	0.8
201.05423	1.0
201.09120	3.2
203.07043	14.2
203.10623	5.7
205.08583	0.9
205.12325	1.6
208.62694	0.6
209.09612	1.4
211.11311	0.8
213.05423	0.6
213.09146	1.8
215.07072	8.3
215.10744	2.6
217.08652	1.6
217.12250	2.9
219.10135	1.0
221.09906	0.6
223.11180	1.4
225.09233	1.0
225.12863	1.2
227.10741	2.1
229.12231	2.7
231.10190	2.4
231.13846	1.5
233.08031	4.5
235.11244	0.6
237.09093	0.7
237.12978	0.8
239.10875	1.2
239.14359	0.8
239.23798	0.8
241.12251	0.9
249.14972	0.7
251.14291	0.7
253.12320	0.5
255.13908	1.0
257.15424	1.4
259.16998	7.1
259.24295	1.2
267.13983	0.8
269.15402	0.8
271.16907	1.3
273.18521	3.2
279.13742	0.9
281.15253	0.8
283.16925	2.9
285.18524	3.6
287.20050	3.9
291.10181	1.2
301.18002	1.1
307.09991	0.7
309.11258	0.6
309.18631	0.9
311.20251	0.9
333.11304	2.0
337.21487	0.8
351.12241	2.6
355.22873	2.5
363.12326	3.2
365.21207	1.2
369.13351	1.0
381.13257	2.9
457.23770	0.6
469.23666	1.3
475.24918	1.3
487.24902	7.2
487.31781	0.9
505.25980	31.9
505.38666	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	505.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.8
53.03944	2.2
55.01874	3.3
55.05505	1.7
57.07083	3.3
65.03918	0.6
67.05515	6.1
69.07079	6.8
69.23468	0.5
71.08635	2.0
71.52337	0.6
72.40830	0.5
77.03940	0.7
79.05506	6.1
81.03428	10.1
81.07067	15.6
83.08620	3.1
85.10183	1.1
91.05484	2.9
93.07053	2.5
95.04964	3.7
95.08625	6.4
97.10204	0.7
105.03387	1.5
105.07036	1.7
107.08620	1.3
109.10175	2.7
111.08076	0.6
115.05473	1.2
119.08611	1.7
121.02880	0.7
121.10201	0.8
123.04446	1.3
125.02330	0.8
129.07021	1.6
131.04944	2.3
131.08540	0.9
131.44196	0.5
133.10123	1.0
135.04431	100.0
135.11699	0.7
137.02385	1.3
143.04976	0.7
149.02350	2.8
151.03922	17.8
155.03407	3.0
155.04932	0.6
157.10136	0.7
159.04437	2.9
161.06038	1.2
163.03844	1.1
165.01854	93.4
173.05925	1.3
175.03912	1.7
179.03394	9.3
179.08496	0.8
179.14299	1.7
181.05025	0.8
183.04399	0.8
185.05969	2.8
187.07617	0.9
189.05487	1.0
189.07025	1.4
191.03464	1.0
193.12209	2.9
201.05464	1.0
207.08112	1.1
209.04442	1.1
213.05489	1.1
219.06456	1.2
219.08282	0.9
235.07541	2.3
245.06013	1.0
247.07588	1.6
263.07059	2.5
265.08701	1.6
275.07086	6.8
277.21564	0.9
291.06512	1.7
293.08124	3.2
296.06802	2.5
297.07584	0.9
303.06635	3.5
305.08029	1.2
309.07669	2.4
321.07635	3.0
323.09235	6.3
333.07568	11.7
336.06699	0.6
339.08627	2.6
351.08673	18.4
369.09714	22.1
381.51248	0.6
475.20996	1.7
505.22183	27.9
505.39166	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	505.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	1.6
71.51561	0.8
71.51922	0.8
72.08135	0.7
78.00727	0.7
83.09856	0.7
83.80267	0.6
85.02908	1.8
86.09687	0.8
91.05478	1.1
95.04964	0.7
95.86123	0.7
97.02900	0.9
98.97577	1.1
102.96772	0.8
115.05401	0.7
117.03395	0.8
118.06554	15.5
123.05554	1.5
127.22382	0.6
130.06529	1.6
132.08150	3.8
136.06177	3.1
141.26321	0.6
142.06532	1.2
143.07327	1.7
144.08098	11.3
146.06020	55.8
147.04356	0.8
159.09230	4.5
160.07603	1.0
163.03918	3.8
170.06033	3.5
171.35321	0.6
178.05011	1.1
188.07083	100.0
195.02870	0.8
203.05289	1.1
205.09735	48.5
219.01762	1.3
313.06952	1.1
483.68259	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78159	0.6
55.01875	1.2
56.04971	0.6
57.03441	0.7
58.06597	2.2
61.02914	0.6
64.52096	0.5
69.03419	2.4
70.06591	1.2
70.86938	1.4
81.03421	1.4
83.83475	0.6
85.02916	3.5
91.05502	0.9
95.04979	1.1
97.02878	2.1
97.75623	0.6
99.04418	0.7
103.03976	0.7
109.02892	1.6
116.07118	0.7
117.05585	0.6
117.07046	0.5
118.06586	0.9
121.02864	1.3
123.04446	1.9
130.06514	1.1
131.04959	1.2
134.06033	0.6
139.03943	1.2
144.08054	0.8
145.06555	1.5
146.06020	58.5
148.07616	0.9
149.02420	0.8
151.03893	3.2
158.06038	3.8
159.06804	9.8
160.07602	3.1
161.06020	0.7
163.03889	2.9
169.04105	0.7
170.06032	1.6
171.06821	0.8
172.07585	12.7
173.02420	0.6
174.05479	0.7
175.03981	0.8
175.08681	13.6
175.10121	0.8
178.08682	1.9
179.08972	0.9
181.04904	0.8
183.06810	0.8
184.07646	1.0
186.09183	1.1
187.03914	1.2
189.05424	1.4
191.08855	0.6
193.04999	1.4
196.07701	1.2
197.08443	0.9
198.05519	3.5
198.09108	0.9
200.07085	23.5
203.05298	0.7
205.04962	1.6
207.06494	0.7
210.05388	0.8
210.09090	2.7
212.06992	0.8
214.08548	1.1
217.05023	1.4
219.02879	0.6
222.09288	1.0
224.07063	2.7
224.10619	0.6
226.04996	1.9
226.08604	0.9
233.08488	0.7
234.09201	1.1
235.05954	0.8
236.07104	1.2
236.10771	0.7
238.08647	4.0
240.10240	1.3
242.08035	1.2
244.06073	1.1
246.09157	1.1
248.07188	0.7
250.08647	1.3
252.06517	1.1
252.10344	0.8
254.08151	1.2
258.09381	0.7
259.06137	0.6
260.07031	0.8
262.08734	1.2
264.06689	1.6
264.10321	1.6
266.08209	4.3
268.06052	0.7
268.09796	1.0
274.08691	2.3
276.07010	0.5
276.10324	1.4
278.08069	2.1
280.09668	1.7
282.07779	1.2
284.09180	2.3
289.07254	1.6
290.08264	1.4
292.06442	1.1
292.09747	4.9
294.07770	1.2
294.11209	0.7
296.09250	1.8
297.88748	0.7
298.10913	1.1
302.08130	1.5
304.09637	2.7
306.07822	2.7
306.11044	0.7
307.08377	0.8
308.05817	0.9
308.09183	5.2
310.07156	2.9
310.10547	1.1
316.09756	0.9
317.10345	0.7
318.07581	1.4
318.11002	1.1
320.09216	7.0
322.10812	2.1
324.08664	2.5
326.10291	13.4
328.09656	1.4
332.09116	3.3
334.07095	0.8
334.10791	1.2
336.08704	1.7
336.12350	1.1
338.10248	24.5
342.07785	0.8
343.12961	1.2
343.17294	0.8
344.09277	0.8
346.10696	1.6
348.08795	1.0
350.06039	0.9
350.10229	11.2
358.10791	1.4
360.08551	1.3
360.12546	1.2
362.10214	1.4
364.11896	2.3
368.11334	20.9
374.10214	1.8
376.11948	2.4
378.13513	3.9
380.11679	1.3
385.14063	3.6
386.10550	1.5
388.11929	1.2
392.11316	11.6
398.11398	0.7
404.11307	14.1
406.13049	2.3
410.12125	0.7
416.11414	4.2
422.12299	5.1
433.66614	0.7
434.12451	6.6
452.13440	9.8
470.14508	100.0
471.14630	1.0
483.48712	0.7
487.17191	12.5
488.15561	47.5
505.17398	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	504.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	45.7
57.07084	15.8
67.05510	70.7
69.07075	66.4
70.15982	28.6
71.04971	12.1
71.08642	9.9
76.82617	7.4
79.05492	30.6
81.03424	39.3
81.07069	94.5
83.08618	38.4
91.05484	34.4
91.15768	6.6
93.07045	82.1
95.04986	17.1
95.08621	96.4
97.06542	23.4
97.10188	12.9
98.20834	13.6
103.24459	7.4
105.07063	68.3
107.08607	95.7
109.06583	11.6
109.10168	100.0
113.70894	9.1
117.06968	8.4
119.08596	72.0
121.10186	52.5
123.08099	12.4
123.11707	41.4
127.11217	10.9
129.06987	11.0
131.08603	21.9
133.10146	56.9
135.11685	60.0
137.13196	12.7
142.07896	8.1
143.08540	10.4
145.10123	38.4
147.11713	55.3
149.13322	24.7
153.12766	13.4
157.10110	15.9
159.11728	37.6
161.13300	27.2
163.14862	15.5
165.12813	8.9
171.11717	11.0
173.13278	29.4
175.14859	22.7
177.16449	11.4
187.14836	23.8
189.16380	33.8
191.18076	9.9
193.12270	13.5
201.16376	34.2
213.16400	11.5
215.18068	22.4
229.19531	8.5
257.22778	48.2
423.36221	9.8
504.37787	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	26.6
57.07076	30.0
64.87309	16.3
67.05499	50.3
68.30405	17.4
69.07069	57.1
71.04980	25.5
71.13132	38.1
79.05492	20.2
81.07058	67.8
82.56043	17.9
83.04987	16.9
83.08617	24.5
91.05493	61.6
93.07043	44.6
95.08602	62.1
105.07033	59.6
107.08607	83.5
109.10155	95.1
119.08585	56.0
121.10167	56.3
123.11644	20.0
127.11166	20.2
131.08519	21.0
133.10126	100.0
135.11703	62.7
137.13275	22.5
143.08665	17.0
143.49200	21.0
145.10149	46.9
147.11690	61.3
149.13257	28.5
159.11696	25.9
161.13216	27.2
173.13324	32.5
175.14789	18.2
178.22272	20.0
183.13783	15.9
187.14848	19.0
189.16403	19.2
191.61183	19.7
201.16409	21.9
348.78867	15.8
408.25842	18.0
505.22330	52.3
522.63464	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	505.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71907	3.7
54.13685	3.6
55.01878	5.8
55.46899	3.7
57.03441	4.9
58.06586	9.3
58.86982	3.8
61.02937	20.7
68.36601	4.3
69.03421	5.7
69.42101	14.5
69.42524	15.4
70.06602	4.9
70.20338	3.9
71.74892	4.2
74.06068	4.7
77.55443	4.2
81.46025	3.7
85.02916	16.7
86.37393	3.9
91.03974	5.7
97.02913	26.3
116.07148	6.0
121.02843	5.7
135.04431	7.9
136.39780	4.2
145.02861	10.4
146.06038	51.4
147.04440	4.7
147.05606	4.6
151.03944	8.7
158.06020	4.9
159.06761	12.3
160.07544	10.6
163.03920	38.8
164.04239	6.2
170.45909	4.0
172.07542	23.7
175.03922	6.3
175.08701	11.0
181.04926	9.1
187.03886	4.6
188.07118	4.8
198.05440	6.0
199.03978	14.1
200.07066	13.5
201.01802	8.3
203.03433	13.2
205.05124	4.5
213.01874	14.7
215.03247	3.9
217.01370	33.6
217.04976	10.6
219.02904	4.7
227.03371	14.1
229.01363	14.7
231.02956	24.5
235.02344	11.7
238.08592	5.5
239.03427	5.1
241.01387	8.0
245.04416	11.9
247.02444	59.0
255.02901	12.7
257.04376	7.3
259.02393	40.3
261.03912	5.1
265.03452	41.5
266.08847	4.2
267.02878	5.1
269.04434	4.8
271.02386	5.4
273.03903	24.4
275.05457	5.7
277.03494	80.0
278.49197	4.4
283.02371	5.2
295.04706	37.5
297.03830	5.5
298.10898	13.6
301.03455	100.0
303.05014	4.8
313.03473	48.9
319.04559	35.4
320.09317	7.8
321.08734	5.4
325.03485	17.3
326.10211	5.7
331.04495	37.1
338.10269	22.2
343.04514	53.3
346.11185	4.5
349.05551	15.3
350.10107	10.9
361.05563	61.7
367.06689	6.9
368.11224	12.0
379.06598	65.5
392.11420	10.1
397.07739	16.7
404.11288	7.9
409.07587	7.9
421.07764	10.1
434.12152	4.8
452.13324	8.7
460.15723	5.6
464.05020	5.4
470.14529	69.1
487.17245	11.7
488.15591	33.6
505.17313	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89258	2.8
65.78180	3.2
69.07060	6.7
70.56981	9.4
79.05481	3.8
83.04959	5.1
84.08121	3.1
91.05486	3.3
92.18790	3.1
95.29529	3.0
103.05467	4.3
111.04416	8.1
117.07060	3.1
129.06998	12.0
131.04936	12.9
136.05191	6.9
137.05991	100.0
139.07570	6.9
146.07236	6.5
151.07559	79.8
151.19292	3.0
153.05495	3.7
157.06506	13.9
159.08075	3.6
161.05940	6.7
163.07587	5.0
167.07036	7.2
172.08829	6.8
173.05975	5.7
174.06802	20.4
175.07607	29.4
177.09152	12.9
187.07574	31.1
188.08365	15.8
189.09131	60.9
194.91289	3.2
199.07474	3.9
201.09152	49.1
203.10718	35.7
217.08655	9.5
219.10107	7.7
221.11716	6.7
231.10101	14.8
235.09671	3.8
261.08969	3.5
279.10104	4.1
284.10403	9.6
285.10965	3.6
291.10178	4.4
293.11716	4.4
297.11295	5.7
305.11722	9.9
306.12305	4.9
310.12018	7.6
322.12289	4.6
325.14325	29.1
337.14365	34.4
343.15387	5.2
355.15503	57.8
371.44214	3.3
390.92529	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	44.6
57.07081	40.4
60.23447	7.4
62.24929	7.5
62.39245	8.1
67.05500	40.1
69.07072	51.7
69.20072	87.9
69.26197	8.5
71.08630	16.6
79.05489	32.3
81.03427	81.6
81.07052	46.0
83.08636	66.9
84.89882	8.9
85.06539	9.5
85.10208	18.4
86.89436	8.7
89.06031	16.2
91.05478	27.7
93.07051	31.4
95.04993	21.2
95.08612	57.6
97.10179	38.0
98.21538	17.6
105.07040	29.7
107.08578	27.7
109.10180	32.9
111.08079	14.0
111.11736	15.2
119.08607	27.1
120.08967	10.2
121.06509	10.7
121.10182	42.6
123.11695	24.0
125.69701	9.5
131.08566	16.8
133.10147	18.8
135.11664	23.5
137.09598	8.9
140.36147	7.8
145.10152	10.1
147.11710	17.3
149.13277	18.2
153.12737	10.9
161.13290	8.7
175.11224	12.3
175.14857	9.4
181.48558	9.4
182.10286	10.3
193.12308	27.9
194.12630	12.5
205.49969	10.3
231.12283	12.0
250.25438	13.2
407.33780	11.5
504.37640	100.0
505.38995	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	504.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.1
55.05512	18.8
57.07080	19.4
65.03639	7.0
67.05508	43.4
69.07084	43.7
69.60917	18.1
69.61303	21.6
71.05003	11.9
71.73521	6.2
79.05484	39.8
81.07075	76.1
83.08606	20.2
84.08942	7.3
89.06004	8.7
90.77177	7.1
91.05502	48.2
93.07050	97.8
95.08615	97.9
97.10194	9.8
97.26232	6.9
98.20748	10.7
105.07040	60.5
107.08617	100.0
109.10168	95.7
117.07034	15.0
119.08592	64.5
121.10175	62.0
123.11719	26.6
127.11201	17.5
131.08578	31.0
133.10153	62.7
135.11696	75.9
137.13347	8.5
145.10147	28.8
147.11670	36.3
149.13252	28.0
157.10112	11.7
157.34984	7.5
159.11700	32.8
161.13287	22.3
163.14841	10.8
171.11771	11.2
173.13284	24.3
175.14861	29.6
177.16382	14.2
185.13316	13.8
187.14868	19.5
189.16431	16.8
199.14720	13.6
201.16402	21.7
203.17975	17.0
213.16425	11.8
215.17993	30.9
227.17989	13.7
229.19606	10.6
233.19124	8.1
257.22702	12.5
313.92969	7.4
317.17331	7.7
337.28967	9.5
369.91275	7.0
407.33347	13.7
423.36432	8.5
473.65051	7.6
504.34610	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
53.70441	0.2
68.05053	0.3
69.03446	1.4
69.07073	0.5
70.06600	53.9
70.86245	0.5
70.86562	0.2
71.04996	0.8
76.88156	0.2
78.63350	0.2
81.03436	2.4
81.07048	0.5
84.76116	0.2
85.02915	1.1
86.09721	0.4
87.00846	0.6
93.07056	0.2
94.29129	0.2
95.05006	0.3
95.08630	0.3
97.02895	3.5
97.06524	0.6
99.04472	0.9
105.01870	0.5
107.08601	0.3
109.02895	2.4
109.06531	0.2
116.07105	100.0
117.07410	0.3
121.02905	0.3
121.10173	0.3
123.11710	0.3
127.03928	6.1
127.04829	0.5
131.04976	0.2
133.10130	0.3
137.05948	1.2
141.86713	0.3
145.04901	0.3
151.03941	0.5
169.12218	0.3
173.13246	0.3
213.03915	0.5
231.05046	1.1
233.60863	0.2
278.03281	0.2
317.04901	0.7
323.39450	0.3
504.28207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.01875	3.1
55.05509	2.2
56.02119	1.5
57.03442	2.7
61.02919	6.4
64.58915	1.7
66.24898	1.6
67.05496	5.8
68.61337	1.5
69.03439	27.5
69.07066	5.6
70.06588	2.2
71.04980	4.7
71.52597	2.0
73.02920	5.8
79.05505	3.4
81.03426	17.1
81.07058	22.0
83.08611	3.2
85.02914	67.2
87.00832	37.8
91.03944	2.1
91.05464	4.1
93.07030	6.6
95.08627	12.6
97.02902	32.7
97.06519	2.7
99.04471	9.1
105.01878	63.7
105.07037	16.9
107.08624	9.4
107.73922	1.6
109.02888	21.6
109.10156	9.1
111.04438	2.8
117.01828	2.6
119.08580	11.4
121.10165	5.7
127.03931	53.8
127.32305	1.8
129.01811	2.3
131.08450	2.0
133.10172	8.7
135.11674	3.6
137.05965	5.9
145.04988	23.0
145.10147	5.6
147.02901	1.9
147.11694	32.0
151.07541	1.9
159.02927	7.3
159.11740	2.1
160.12447	2.6
161.13313	8.8
189.03871	3.0
201.16551	2.2
203.17972	100.0
210.06314	1.8
213.03870	3.7
221.19041	31.7
231.05017	21.7
239.46658	1.8
249.06087	9.8
303.11136	1.9
312.13116	2.5
327.16141	1.8
333.29443	1.8
451.23352	7.8
483.81323	1.8
510.98285	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32175	2.7
55.05503	3.9
67.05505	8.6
69.07031	3.0
70.73837	6.5
70.74171	3.1
79.05506	3.7
81.07055	4.8
83.04974	3.5
85.85406	3.0
91.05457	3.7
103.05482	2.7
107.21076	2.9
114.75349	2.6
121.06471	5.1
122.03629	4.7
128.06242	3.7
129.07030	14.7
131.04927	15.4
131.63203	2.8
135.41739	3.0
136.05208	7.2
137.05991	100.0
139.07532	6.3
143.04984	4.5
145.06447	4.5
146.07288	4.8
151.07559	84.0
157.06520	17.3
158.07332	4.5
160.05244	3.6
161.05983	6.8
163.07579	9.7
167.06975	4.8
172.08870	8.1
174.06776	10.2
175.07547	31.1
175.99110	3.0
177.09108	13.3
187.07529	27.9
188.08394	14.3
189.09123	62.7
201.09158	27.1
203.10681	43.3
211.71030	2.7
217.08626	10.4
219.10110	3.4
221.11755	8.4
231.10136	10.7
240.47290	3.5
262.09958	4.0
277.12231	3.9
284.10495	10.0
285.11441	4.0
290.09058	3.3
291.10126	6.4
293.11673	4.8
305.11655	11.3
306.12543	5.2
307.09433	4.4
310.11911	6.1
322.11884	3.0
325.14346	26.0
337.14392	32.2
343.15353	5.2
355.15503	45.2
466.09641	2.9
504.34244	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.2
55.01865	4.6
55.05512	22.6
57.07071	4.7
59.05003	3.4
61.02937	3.0
65.03937	3.8
67.05512	35.9
69.03431	12.9
69.07073	29.3
70.06585	5.4
70.11852	10.5
71.05003	5.6
73.02917	6.0
73.06558	3.0
78.20639	2.7
79.05488	24.9
81.03415	12.2
81.07065	80.6
83.08630	12.2
85.02921	26.0
85.06553	4.5
85.10197	3.5
87.00827	10.6
88.61794	2.5
91.03973	2.4
91.05489	30.4
93.06519	1.9
93.07050	82.0
95.04976	7.6
95.08619	100.0
97.02921	21.1
97.06531	6.8
97.10186	8.6
99.04449	5.4
104.07138	2.7
105.01870	25.8
105.07036	91.4
107.08602	83.4
107.09314	5.8
109.02902	8.1
109.06548	5.0
109.10157	69.3
111.08096	8.3
111.11732	5.5
115.03972	2.6
117.07033	5.3
119.08590	78.6
121.10157	56.2
123.11719	25.1
125.09634	17.9
127.03936	35.7
131.08594	3.5
133.10141	52.8
135.11711	28.0
137.05994	10.1
137.09587	2.7
139.11171	4.3
145.04984	16.1
145.10150	6.4
147.11694	79.1
151.07613	3.4
151.11200	6.6
159.02892	5.0
161.13278	22.4
163.03917	2.3
163.14816	10.2
165.12790	17.0
175.14865	21.4
177.16383	5.4
180.87439	2.6
198.82390	2.2
203.17972	92.3
221.19051	8.6
231.05000	16.5
248.07620	5.5
249.06140	11.1
267.09155	4.1
284.09692	17.9
312.13144	3.2
367.18042	4.1
410.22244	2.5
412.08450	3.1
475.70181	2.6
519.28479	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01571	0.4
51.97615	0.4
53.01513	0.3
53.03940	0.9
55.05500	1.1
57.03435	0.6
58.06592	0.8
59.04996	1.2
67.05503	2.5
68.05002	0.5
69.03440	1.8
69.07051	0.4
70.06598	19.1
71.05000	0.7
71.53632	0.5
72.08138	1.2
79.05495	2.3
81.03427	3.3
81.06591	0.6
81.07063	9.9
82.06596	0.9
83.04965	0.6
84.04500	0.4
84.08141	1.2
85.02914	2.8
86.09704	1.0
91.05480	2.0
93.07046	4.9
95.04974	0.9
95.08611	4.5
97.02884	1.7
97.06525	1.2
99.04451	0.9
105.03402	8.9
105.04508	0.4
105.07040	2.0
105.59155	0.4
107.08609	3.9
109.02905	1.8
109.06541	0.8
109.10155	2.4
110.09688	14.5
114.05531	0.5
116.07114	3.4
121.06505	0.6
121.10091	0.7
123.11731	3.5
127.03941	1.9
128.07074	4.8
128.10725	37.7
129.07364	0.6
131.08542	0.8
133.10136	2.9
135.04408	0.6
137.06018	0.6
145.02864	0.5
145.05043	0.6
145.71844	0.4
147.04483	0.6
151.03922	0.7
151.11186	2.0
153.05472	0.7
156.10211	24.7
161.05986	0.5
163.03937	1.0
167.07127	0.4
174.11267	100.0
175.11699	0.6
191.24495	0.4
221.11694	0.8
221.73883	0.5
231.05067	0.4
238.18120	0.8
256.19064	0.5
265.08578	0.7
266.48523	0.4
306.14828	1.0
324.15939	1.3
332.13385	0.5
336.16391	0.9
342.16910	1.5
363.04047	0.4
390.59262	0.4
442.18710	0.4
468.25482	0.5
486.27020	31.7
504.19345	5.9
504.27972	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09132	2.4
51.90329	2.2
53.03941	6.3
53.19504	2.6
55.01851	7.4
55.05502	12.2
57.07085	3.6
60.31795	2.3
61.02939	3.1
66.68032	2.5
67.05516	25.8
69.03420	11.1
69.07072	14.2
70.06586	5.6
70.84074	7.4
71.04984	4.5
73.02908	3.0
77.03892	3.6
79.05489	11.2
81.03412	9.0
81.07063	40.6
83.04960	4.3
83.08637	15.3
84.08125	3.2
85.02917	22.9
87.00823	7.2
91.05485	30.0
93.06492	3.8
93.07054	71.6
95.04963	4.3
95.08617	48.2
97.02904	13.7
97.06546	8.2
97.10138	3.3
99.04443	6.0
103.21276	2.6
103.33617	2.6
105.01865	11.8
105.07041	54.9
107.08606	49.6
109.02879	9.7
109.06515	3.7
109.10169	88.6
111.08067	11.4
115.03891	2.7
116.07115	3.3
117.06964	3.4
119.08590	41.5
121.10161	27.9
123.08088	2.5
123.11702	13.0
125.09644	6.7
127.03931	16.2
128.06247	2.8
131.08583	5.0
133.10159	29.7
135.11694	51.2
137.05977	8.1
138.06311	4.2
145.04955	8.5
145.10115	3.5
147.11699	60.7
149.13283	4.0
159.11690	4.5
161.05957	2.6
161.13271	19.9
163.03935	3.9
163.14879	4.4
175.07622	3.1
175.14833	10.0
192.50690	2.5
201.16368	3.2
203.17957	100.0
221.18971	9.3
231.05067	2.8
285.39676	2.6
324.13434	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	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65936	4.4
52.84000	4.7
53.03938	8.9
55.01879	5.6
55.05508	13.8
56.54329	4.3
57.03447	5.7
66.13692	3.9
67.05503	31.9
69.03424	19.5
69.07063	22.1
69.29656	4.0
70.06600	5.3
70.43015	4.3
70.43356	11.3
71.04968	5.0
73.02914	4.9
73.19966	4.4
79.05491	21.5
81.03416	11.5
81.07061	64.8
83.08624	9.7
85.02910	44.8
85.06513	5.6
87.00838	15.5
90.82442	4.0
91.01133	5.0
91.05495	27.7
93.07050	60.9
95.04955	4.8
95.08609	92.2
96.00671	4.2
97.02905	21.2
97.06545	8.0
97.10139	5.6
99.04464	9.5
105.01888	22.6
105.07047	68.4
107.08600	64.1
109.02885	17.5
109.06512	6.0
109.10160	79.2
111.08096	7.1
119.08589	58.7
121.10151	43.3
123.11719	16.0
124.67309	4.0
125.09641	10.8
127.03918	35.8
131.08572	4.9
133.10133	43.3
135.11688	26.7
137.06017	12.1
138.06340	6.3
145.04974	13.7
145.10062	5.3
147.11679	67.3
151.11272	5.2
159.02917	11.6
161.05994	5.1
161.13268	22.0
163.14798	9.3
165.12827	9.5
165.66866	4.6
167.08598	4.7
175.14798	13.5
203.17952	100.0
203.19788	8.4
221.18973	12.7
231.05017	8.8
284.09875	9.0
302.39056	4.3
312.12897	10.1
425.12991	3.7
500.09430	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	504.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39499	0.2
58.06620	0.3
59.50172	0.3
59.83738	0.3
61.18903	0.3
65.07134	0.2
69.77253	1.3
92.05004	1.0
93.51665	0.2
94.06573	2.3
96.04512	0.5
98.21445	0.3
110.06056	1.2
138.05504	100.0
139.05870	0.3
300.62991	0.3
389.52124	0.3
433.93427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	26.0
55.91278	12.5
57.03446	18.1
62.01084	15.2
66.07820	14.2
67.05492	18.0
67.06120	14.1
69.03419	52.0
69.07075	17.4
70.06586	59.4
71.04997	27.8
71.52563	22.2
73.50777	15.9
79.05502	27.7
81.07034	29.9
84.08138	18.8
85.02900	50.2
85.06539	14.0
86.09705	19.8
87.04465	37.8
91.05478	34.4
93.07043	24.3
95.04972	33.0
95.08627	23.7
97.02889	58.0
99.04469	100.0
105.07040	27.1
107.08591	27.3
109.02846	14.8
109.06503	17.9
113.06030	16.4
115.03959	34.1
116.07087	26.5
119.08564	16.4
121.02783	15.0
121.06528	14.6
123.04443	17.2
123.08047	19.3
123.11706	30.5
127.03922	16.5
133.04935	42.1
133.10135	23.6
137.06000	75.9
138.06326	35.3
147.04527	19.0
147.11774	22.3
150.05513	16.2
161.13257	17.1
163.03880	44.1
164.28026	15.9
175.11266	15.0
189.09044	25.0
193.19287	14.9
221.11775	80.4
243.82161	15.0
267.05145	14.2
312.12909	23.0
324.13095	18.6
349.63840	15.9
402.78302	20.1
505.15048	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	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16562	5.3
53.03918	4.8
55.01862	5.4
55.05515	14.5
57.03438	4.7
61.02930	5.6
62.04813	4.6
67.05492	21.1
69.03441	25.8
69.07063	15.8
70.06609	8.7
70.77200	14.4
71.05002	13.5
73.02927	6.5
79.05505	30.3
80.23879	5.8
81.03395	17.3
81.07062	100.0
84.87569	5.6
85.02914	50.3
87.00836	31.5
91.05473	18.3
93.07048	39.5
95.04984	5.0
95.08611	44.9
97.02892	23.1
97.06519	7.3
99.04424	10.5
99.08069	7.0
105.01862	27.3
105.07075	28.8
107.08614	56.0
109.02836	10.8
109.06511	5.3
109.10172	37.5
116.07119	6.6
119.08598	43.8
121.10127	21.1
123.11714	32.2
127.03908	26.6
127.11201	14.6
133.10158	36.0
135.11702	74.5
137.05972	6.5
143.10683	21.2
145.04985	13.1
145.10086	5.8
147.11728	33.0
149.13252	11.7
157.10188	8.0
159.02908	6.5
159.11655	9.8
161.13231	17.5
163.11292	6.2
185.58437	5.2
203.17972	62.9
205.19600	5.5
221.19044	47.3
231.04967	5.4
305.04953	5.8
332.18362	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	504.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26739	0.4
58.06606	60.4
58.06874	2.2
58.07015	1.8
63.95401	0.5
69.59122	3.5
70.06557	1.3
72.08140	1.2
74.06069	1.3
84.04497	0.6
85.02889	1.3
100.07576	1.7
106.95274	0.5
116.07080	1.3
123.33665	0.7
128.07152	0.7
130.58098	0.6
130.77167	0.6
139.03903	0.7
144.01741	0.5
144.06544	0.9
155.73297	0.7
163.03801	0.7
166.07820	0.6
178.07765	0.7
179.08582	1.8
181.06441	0.9
181.10078	1.1
190.07829	0.8
191.08565	7.1
194.07236	1.5
195.07980	0.7
205.06516	2.2
207.08081	4.4
208.08902	1.1
209.09598	3.5
219.08044	4.9
222.06772	6.3
223.07474	1.3
225.09026	0.6
233.05978	2.0
235.07539	3.4
236.08316	1.8
237.09135	12.9
239.06989	1.4
247.07564	2.5
250.06332	1.6
251.07117	1.3
251.10530	0.8
253.08650	0.7
255.10483	1.2
258.14972	0.6
263.07193	0.8
265.08609	40.7
266.09283	0.8
267.06573	2.1
267.09967	0.9
269.11752	0.9
275.12427	0.6
279.10135	3.2
282.08896	13.4
284.10568	1.6
296.77530	0.5
297.11230	41.3
299.12756	5.5
313.09308	0.5
342.17029	100.0
343.17673	0.9
459.16718	0.7
504.22314	53.0
505.22897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23894	0.3
57.03404	0.4
58.06607	15.2
61.02903	0.6
69.03452	1.9
70.06577	0.9
70.82937	0.8
71.05004	0.3
72.08135	0.7
73.02915	0.5
81.03405	0.8
84.08105	0.5
85.02911	3.2
86.09698	0.4
87.07585	0.3
97.02872	1.2
109.02882	0.6
116.07059	0.3
119.21138	0.3
127.03864	0.8
128.07100	0.5
130.08656	0.3
132.79028	0.3
134.66716	0.3
142.24515	0.3
146.05962	0.3
160.07545	0.3
165.06943	0.5
166.07729	0.3
177.07059	1.5
189.06995	0.5
191.08514	1.2
194.07285	1.6
205.06499	14.8
206.07256	0.4
207.07973	0.6
209.09592	0.8
219.08009	1.0
222.06781	5.4
223.07352	0.4
233.05995	18.0
234.06650	1.0
235.07582	0.7
237.09131	18.1
238.09589	0.5
239.07028	1.2
240.07849	0.6
250.06261	5.3
251.06979	0.8
254.09372	1.1
265.08612	100.0
266.09140	1.3
267.06552	1.3
267.10349	0.4
269.11710	0.5
269.46188	0.3
282.08862	3.1
295.09396	0.3
297.11234	30.6
298.11557	0.5
342.13486	0.4
342.17157	1.2
459.16531	15.3
504.22314	70.6
505.22614	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	503.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
53.59031	1.0
55.01884	1.4
55.05513	6.1
57.03434	1.1
57.07095	1.5
61.99111	1.0
66.26411	1.2
67.05518	5.7
69.03431	5.2
69.07069	6.6
71.04998	10.6
79.05498	10.8
81.03422	4.3
81.07066	13.8
83.04967	1.6
83.08612	2.7
85.02917	10.2
85.06561	1.7
87.00851	4.6
91.05489	18.0
93.07056	18.6
95.04995	3.7
95.08625	10.9
97.02888	3.3
97.06563	3.7
97.36972	1.3
98.20769	2.4
99.04433	1.6
99.08083	3.4
100.11297	1.4
103.05465	2.4
105.01871	3.9
105.07042	49.9
107.08613	14.8
109.02889	3.7
109.06531	1.6
109.10163	6.5
113.09629	2.6
115.05500	1.9
117.07043	7.8
119.08587	13.6
121.06519	2.2
121.10162	14.3
123.08077	3.5
123.11726	3.8
125.09632	12.7
127.03941	3.7
127.11201	5.9
131.08592	16.3
133.10144	100.0
135.11723	5.0
137.05986	5.5
137.09621	2.2
143.08578	1.6
143.10674	5.5
145.05017	1.7
145.10146	12.1
147.11705	9.5
149.09669	1.6
149.13329	1.7
151.11140	2.5
157.10141	2.4
159.11708	16.7
161.13289	6.3
163.03963	1.4
163.11160	2.5
173.13287	2.8
175.14790	1.4
177.05502	2.7
199.11229	1.5
201.16391	16.3
207.06587	1.6
213.20807	1.1
217.15884	1.5
219.17439	32.1
229.09277	1.8
230.31873	1.1
237.18512	22.2
243.17442	1.3
249.54155	1.1
255.19672	1.8
282.10931	1.1
349.10501	1.3
437.39227	1.7
507.94278	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.8
55.01865	2.0
57.03433	3.2
61.02922	3.0
69.03436	12.0
71.04996	1.2
73.02924	1.8
79.05505	1.5
81.03419	5.0
85.02914	27.3
87.23141	0.8
91.03968	1.6
91.05476	2.1
94.04186	2.2
97.02907	10.3
99.04475	1.4
103.05476	41.4
105.07037	8.0
107.04958	1.2
109.02892	3.3
115.05463	3.0
117.07024	1.1
119.04945	1.0
119.08595	1.6
122.03667	4.9
125.02313	0.9
127.03940	4.6
128.06238	1.0
129.07008	1.1
131.04939	74.4
133.04955	0.9
133.06509	6.9
137.05989	64.7
141.34285	0.7
145.04958	2.2
145.06453	1.2
147.04417	1.7
147.07988	1.6
149.05997	0.9
151.03883	1.5
151.07497	1.8
157.06538	0.9
159.08043	2.3
160.05202	1.5
161.05992	17.9
163.07555	100.0
167.06979	1.0
172.05190	3.6
175.07562	25.7
179.07019	3.1
187.07565	16.2
191.08617	1.9
199.07558	2.1
202.07925	0.9
203.08527	1.1
203.93382	0.8
217.08699	6.6
219.08078	3.4
229.48245	0.9
231.08266	1.3
236.08318	1.2
247.07549	1.4
251.10777	5.3
259.07385	1.1
263.10645	1.0
265.08640	0.9
279.10199	5.2
291.10165	5.0
308.10202	1.2
311.12756	18.3
323.12631	6.0
341.13708	7.7
346.62439	0.8
355.32822	0.8
469.67862	0.8
503.20569	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
57.03432	1.3
61.02914	1.7
65.03927	0.7
69.03439	4.8
69.23261	4.7
70.06600	2.5
71.05009	0.6
72.08154	1.8
73.02907	0.8
79.05524	2.5
81.03421	2.0
81.07047	0.8
84.04523	0.8
84.08131	2.0
85.02908	9.7
86.09711	3.0
87.04491	0.6
91.05510	3.0
94.04192	3.3
97.02899	3.6
99.04503	0.5
102.05540	0.7
103.05479	12.5
105.07046	5.6
107.04938	0.9
109.02901	1.1
109.06536	2.5
110.82249	0.6
115.05479	3.1
116.07104	2.5
117.06994	1.1
119.04948	1.2
119.08575	1.8
121.06556	0.7
122.03661	6.6
127.03941	2.4
128.06244	1.3
129.07036	2.4
130.08627	0.6
131.04944	17.7
132.05724	1.9
133.06500	4.6
137.05989	100.0
144.05663	0.7
145.05003	0.8
145.06494	1.3
146.03687	0.7
147.04427	1.7
147.08078	2.9
149.05984	1.6
151.07576	1.2
155.04886	1.3
157.06508	1.1
159.08083	3.1
160.05214	1.5
161.05989	15.0
162.07678	0.9
163.07559	23.1
167.07114	0.5
171.07997	0.7
172.05209	1.9
175.07561	25.4
177.05440	0.6
177.09201	0.6
179.07016	1.3
183.49995	0.5
184.05228	1.0
187.07555	11.7
189.09148	0.9
190.07755	1.7
191.08565	6.4
199.07552	6.7
201.12315	0.6
202.07799	1.6
203.08568	3.8
205.06453	0.7
217.08661	1.7
218.07326	2.0
219.08055	9.9
220.08928	2.2
231.08072	5.6
232.08934	1.0
235.07613	0.8
235.11206	0.6
236.08415	1.4
237.09140	0.8
246.06860	0.7
247.07602	3.3
248.08475	3.1
251.10684	13.5
259.07574	3.3
260.08328	1.2
261.09235	1.5
263.10864	2.9
264.07837	1.0
265.08688	1.0
275.16095	1.0
276.07809	1.4
277.08755	0.8
279.10162	11.5
279.13065	0.8
291.10184	7.8
292.10928	2.7
293.08179	1.2
295.13437	0.6
296.10474	1.2
308.10315	1.1
311.12793	28.5
323.12796	11.8
325.14349	0.6
341.13583	2.1
354.91171	0.6
382.98834	1.0
435.98907	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01873	1.0
57.03440	1.3
61.02921	1.9
65.03962	0.6
67.05513	0.5
69.03442	5.5
70.06596	1.2
71.04993	1.0
71.52509	0.7
73.02926	1.0
79.05494	1.8
81.03423	2.6
81.07063	1.8
85.02910	14.4
87.04475	0.8
91.03984	0.6
91.05492	4.0
93.07037	0.9
94.04189	3.4
97.02901	4.7
99.04480	0.8
103.05482	2.9
104.07096	0.6
105.03397	1.1
105.07021	4.1
107.04941	1.5
109.02879	1.8
109.06529	2.4
109.10160	0.7
115.05471	3.3
115.41728	0.4
117.03390	1.0
117.06998	1.1
119.04933	0.6
119.08597	2.7
121.06532	0.7
121.10105	0.5
122.03652	7.6
127.03894	3.0
128.06203	2.0
128.07066	0.9
129.07005	1.6
131.04947	4.3
132.05717	2.2
133.06508	2.9
133.10121	0.9
137.05988	100.0
141.06967	1.0
143.04958	0.7
145.02831	1.3
145.05014	1.8
145.06461	1.1
146.03682	1.0
147.04382	1.1
147.08073	3.2
149.06003	1.3
151.03955	0.6
151.07536	0.8
155.04950	0.6
155.06071	0.7
156.05760	0.9
159.08041	1.7
160.05197	1.4
161.05992	12.6
163.07567	7.0
167.07130	0.6
168.67708	0.5
169.06514	0.9
171.08075	1.3
172.05174	1.0
175.07562	38.7
177.05501	2.4
178.05829	0.6
179.07027	0.7
184.05196	1.3
185.05917	0.6
187.07570	7.2
190.07828	2.1
191.08560	4.9
192.09334	0.6
194.07121	0.5
199.07565	13.0
201.09113	1.3
202.07799	3.5
203.08568	6.3
205.06561	0.6
207.08159	0.6
208.08833	0.6
217.08678	0.6
218.07278	1.3
219.08066	8.5
220.08847	2.6
230.07259	0.8
231.08058	7.7
232.08820	1.4
233.09601	1.3
235.11238	0.8
236.08377	1.7
237.18701	0.8
246.06786	0.7
247.07620	3.6
248.08339	3.3
249.09177	1.4
250.09648	0.5
251.10692	10.2
253.08553	0.5
258.06824	0.8
259.07596	4.9
260.08331	2.7
261.09143	1.3
263.10751	4.7
264.08130	0.7
275.07217	0.6
276.07898	2.4
277.08612	3.3
277.73450	0.5
279.10175	9.5
280.10886	1.4
291.10181	10.9
292.10907	3.3
293.08157	0.8
293.11423	0.7
295.09763	0.6
295.13327	1.6
296.10437	1.0
308.10507	1.8
311.12781	23.5
323.12775	20.2
325.14395	1.6
503.19656	0.6
503.32156	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	503.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65410	0.8
69.03415	2.4
70.91373	2.2
72.12028	0.8
76.05125	0.9
79.05473	1.6
81.03392	0.8
85.02901	4.5
86.97992	0.8
91.05486	2.7
94.04179	3.2
97.02912	1.0
98.75278	0.9
103.05439	1.3
105.07049	5.2
109.06477	1.8
115.05437	2.6
119.08610	1.2
122.03682	6.5
126.41256	0.9
128.06219	0.9
129.07031	1.5
131.04924	1.2
132.05679	1.8
133.06502	4.4
137.05983	100.0
145.06490	1.1
146.03629	0.8
147.04405	1.0
147.08046	2.1
149.05983	1.2
159.08058	3.2
160.05151	1.1
161.06007	13.8
167.06979	1.0
172.05185	1.8
175.07547	22.9
179.06981	1.4
184.05199	1.0
187.07515	8.8
190.07790	2.5
191.08521	7.6
199.07561	8.1
202.07777	0.9
203.08556	4.1
218.07173	1.9
219.08037	11.4
220.08795	2.0
231.08049	4.6
232.08897	1.5
236.08385	1.1
247.07500	5.5
248.08258	3.4
251.10690	14.0
253.08876	1.0
259.07526	3.4
260.08304	1.4
263.10709	1.9
264.07867	1.5
276.07718	1.9
277.08676	2.6
277.76703	0.9
279.10159	12.3
281.08041	1.5
291.10162	6.8
292.10849	2.4
296.10461	1.5
308.10580	1.0
311.12802	27.6
323.09277	1.7
323.12753	14.1
341.13959	1.4
385.04364	0.8
394.89114	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49231	0.6
52.39250	0.5
53.03939	1.0
55.01875	0.9
56.50552	0.8
58.06601	0.7
65.03948	1.0
66.22949	0.6
67.05486	1.0
68.29910	0.5
69.03423	3.0
69.07033	0.9
69.28927	5.9
70.06577	2.0
71.05000	1.1
72.08155	1.1
79.05495	3.6
81.03431	1.7
81.07052	2.2
82.06578	2.5
84.08145	0.9
85.02912	8.1
86.09710	2.3
89.03934	0.7
91.05479	6.4
93.07043	3.3
94.04176	2.4
94.07382	0.8
95.04954	0.8
97.02888	1.6
99.04488	1.0
99.08108	0.7
100.07616	0.9
103.05469	1.6
104.06291	0.7
105.07044	6.5
107.04964	1.3
107.08625	1.8
108.08907	0.6
109.02904	1.5
109.06503	2.2
109.10196	1.0
115.05501	3.6
116.07063	0.8
117.03461	0.7
117.07047	1.3
119.04932	1.6
119.08582	2.3
121.06485	0.9
121.10150	2.1
122.03677	6.2
127.03928	1.9
128.06197	1.9
128.07072	13.3
129.07495	5.0
131.04968	2.5
132.05711	1.5
133.06512	4.3
135.04393	1.3
136.37367	0.7
137.05991	100.0
139.11061	0.8
145.02869	1.0
145.04955	1.6
145.06500	1.3
146.03694	0.8
147.04416	2.7
147.08089	4.0
149.05974	1.7
149.09653	1.6
151.03906	1.5
158.86887	0.6
159.08057	1.9
160.05215	1.6
160.07634	0.9
161.05994	13.6
163.03946	4.4
163.07541	1.4
168.20203	0.7
171.08075	0.7
172.05217	0.9
175.03951	0.9
175.07568	27.0
177.05470	1.1
179.07068	1.4
184.05182	1.5
187.07536	9.1
189.07307	0.8
189.09186	1.4
190.07822	1.8
191.08575	6.6
195.08090	0.7
199.07556	7.5
202.07787	2.2
203.08601	4.6
218.07318	1.9
219.08084	10.4
219.17485	0.8
220.08774	2.5
231.08047	5.4
232.09039	1.1
235.07767	0.8
235.11290	0.6
236.08301	1.7
246.06903	0.9
247.07550	4.3
248.08362	3.2
251.10699	13.1
258.06738	0.6
259.07568	3.7
260.08298	1.3
261.09158	1.1
263.10709	2.8
264.07764	1.5
265.08612	1.3
276.07870	1.2
277.08673	2.1
279.10208	11.0
280.11053	1.1
281.08136	0.9
288.04785	0.6
291.10156	9.6
292.10950	2.4
295.13293	1.2
296.10425	1.1
311.12784	31.5
323.12759	14.2
333.13794	1.4
341.13950	1.3
350.14401	0.9
351.14639	0.9
377.01749	1.5
485.25903	2.5
503.05618	4.3
503.20157	2.0
503.27219	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
54.18303	0.5
55.01878	0.8
57.03435	1.9
61.02925	2.1
61.40114	0.4
66.04716	0.7
67.05516	0.6
69.03435	6.8
69.72990	1.6
69.73398	0.9
70.06591	1.7
71.04995	1.5
72.09436	0.5
73.02921	0.7
73.06600	0.5
79.05486	2.0
81.03408	2.8
81.07044	2.7
84.08154	0.5
85.02911	15.7
85.06551	0.7
86.09714	0.9
87.04453	1.3
89.03874	0.4
91.03970	0.6
91.05473	3.3
93.07051	1.4
94.04198	2.4
95.08617	0.9
97.02889	5.6
97.06528	1.0
98.20799	0.4
99.04455	0.9
103.05492	2.8
105.07018	4.1
107.04978	1.3
107.08585	0.9
109.02876	1.7
109.06503	2.3
109.10133	0.7
115.05493	2.5
116.07086	1.4
117.03322	0.6
117.07015	1.1
119.08598	2.6
121.02821	0.6
121.06537	0.8
121.10180	0.7
122.03652	6.0
127.03932	2.7
128.06236	1.8
128.07118	1.1
129.06955	2.3
129.63751	0.4
131.04951	3.9
132.05682	2.2
133.06506	3.1
133.10118	1.2
135.11707	0.6
137.05989	100.0
141.07004	0.6
143.04985	0.8
144.05725	1.1
145.02831	0.6
145.04979	1.7
145.06499	1.5
145.10083	0.6
146.03600	0.8
147.04433	1.1
147.08093	3.1
149.06003	1.3
151.03880	0.9
151.11218	0.6
155.04900	0.8
156.05653	1.1
157.06532	0.6
159.08032	2.3
159.11703	0.6
160.05225	2.1
161.05991	11.6
161.07266	0.8
163.03911	0.4
163.07559	6.2
165.06900	0.6
166.92131	0.5
167.07129	0.8
169.06544	0.6
171.08116	1.2
172.05188	0.9
175.07561	32.8
177.05510	1.9
179.07069	1.0
179.08633	0.6
184.05228	1.4
185.06107	0.9
187.07564	7.8
189.09117	1.0
190.07813	1.9
191.08572	5.5
199.07587	11.7
201.09068	0.7
202.07794	4.4
203.08606	6.6
205.06505	0.8
215.08624	0.5
217.08591	0.6
218.07285	1.4
219.08090	8.6
220.08806	1.7
221.06168	0.6
231.08054	7.8
231.10220	0.7
232.08841	1.9
235.07507	1.1
236.08344	1.4
237.09102	0.8
237.18509	0.6
247.07581	4.5
248.08342	3.5
249.09116	0.8
251.10699	9.8
253.08667	0.6
258.06894	0.8
259.07559	5.6
260.08392	1.9
261.09149	1.3
263.10681	4.8
264.07883	0.9
265.08829	0.9
276.07703	2.3
277.08533	3.2
279.10199	9.7
279.13110	0.9
280.11008	0.8
281.08023	0.6
291.10172	11.7
292.10941	3.4
293.08102	1.0
295.10049	0.4
295.13293	2.2
296.10559	0.8
308.10510	1.6
311.09177	1.2
311.12796	22.2
323.12790	19.9
325.14398	1.5
429.57150	0.5
503.20126	1.1
503.31555	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.9
60.96397	0.8
67.05463	0.9
69.03409	1.0
69.07045	1.0
71.04964	1.7
74.04025	0.7
79.01814	1.2
79.05485	1.0
79.79100	0.7
81.03384	2.2
81.07044	2.0
85.02904	3.7
85.06498	0.7
91.05472	1.8
91.12796	0.6
93.07018	1.3
95.04965	0.9
95.08562	1.9
95.75044	0.7
97.06495	1.5
103.03937	1.4
103.05447	0.8
105.07001	1.6
109.02856	1.6
109.10130	1.3
112.24937	0.7
119.04905	2.7
119.08518	1.1
121.02881	12.9
122.03607	1.2
125.09542	0.7
131.04942	1.0
131.08592	0.9
137.05992	10.9
141.01778	0.8
145.02759	1.6
145.10129	1.1
147.04366	0.9
149.02391	0.8
151.03905	0.8
151.89360	0.7
161.05959	2.1
163.03873	1.3
165.01826	6.5
171.02913	0.9
175.07481	2.7
178.25421	0.8
183.02911	1.3
187.04008	1.3
187.07497	1.9
191.03409	0.9
195.02875	1.7
199.07538	1.2
211.07602	1.1
213.05420	2.6
215.03256	0.7
217.04971	2.6
227.07043	1.2
228.07785	1.4
241.04962	1.0
242.05992	0.9
243.02928	1.5
243.06549	2.4
251.10568	1.3
252.13811	0.8
255.06578	8.2
256.07315	6.9
261.03857	1.3
267.06601	1.8
270.05179	0.9
271.06076	3.8
279.10178	1.4
281.08047	1.2
283.06039	69.0
284.06818	33.4
284.10062	1.5
285.07446	2.0
295.06042	33.2
297.07578	14.8
305.08200	1.4
307.06061	1.9
308.06781	2.5
309.07446	5.1
311.05566	4.5
311.12778	4.0
313.07089	100.0
314.07504	1.2
321.36560	0.7
323.05676	1.3
323.09222	11.1
323.12872	1.5
325.07117	5.4
327.08582	1.8
333.07715	1.7
337.07089	25.5
343.08115	5.1
349.07211	0.9
351.08670	4.5
355.08032	1.0
361.06998	7.7
367.08231	4.4
379.08212	16.5
397.09241	16.0
415.10278	15.8
433.11069	1.7
467.07620	1.0
467.13541	13.7
485.14493	25.8
503.15540	77.0
504.15811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.0
55.05507	5.7
56.05026	2.5
57.07082	0.9
65.03935	1.5
65.87450	0.9
67.05513	9.3
69.03417	1.0
69.07068	3.1
70.06579	2.4
71.07362	1.9
71.11107	1.8
72.08163	9.1
77.03928	1.2
77.73623	0.7
79.05502	46.3
81.07060	11.8
82.06565	1.9
83.04975	0.8
83.08626	1.5
84.08129	4.6
91.05487	23.7
93.07054	5.8
95.04983	8.1
95.08598	2.4
96.08117	1.1
97.10124	1.0
97.40536	0.7
103.05489	1.1
105.04523	1.1
105.07043	24.5
107.04951	2.9
107.07880	1.2
107.08605	23.7
109.06557	1.6
117.07020	1.3
119.06069	1.3
119.08612	8.8
122.09605	0.9
124.11213	1.9
129.06937	2.3
131.08562	2.7
133.06490	1.6
133.10138	4.7
138.09105	1.1
140.10646	1.1
142.07771	2.0
145.10196	1.1
145.92737	0.7
147.08069	1.7
147.11694	9.8
152.10742	5.1
157.10072	0.8
175.11163	3.0
180.10176	2.1
208.13356	2.3
229.15933	1.0
282.31470	1.4
292.29953	6.4
301.92172	0.9
308.29376	2.4
310.31055	51.3
328.32211	2.0
347.55185	0.8
484.41544	100.0
485.42230	0.9
502.42953	5.7
529.36157	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97764	0.7
67.05524	0.8
68.35638	0.7
71.53146	1.0
71.53503	0.9
77.88921	0.8
81.03403	0.8
83.44104	0.8
91.05478	2.4
92.74891	0.7
93.07016	1.3
102.03374	0.9
105.03320	0.8
107.04938	2.1
107.08632	0.8
109.02868	0.9
109.06551	1.0
109.10167	1.1
118.72247	0.7
121.06525	7.8
125.02328	0.9
132.65688	0.8
133.10120	1.0
135.04414	11.4
137.02373	1.8
137.05968	2.1
138.09747	0.8
139.03914	1.6
142.02481	0.8
147.04425	0.8
148.05217	2.3
150.06781	1.9
151.03888	0.8
152.04636	0.8
153.01819	4.4
156.48199	0.7
161.05998	0.8
165.01826	1.7
175.03899	1.2
181.01341	4.2
185.05794	0.9
195.00882	0.7
198.01558	0.9
210.20032	0.8
225.05626	1.0
227.07068	1.0
241.05063	1.1
242.05559	0.8
245.08078	1.1
257.04568	0.8
258.05243	2.9
269.04541	3.5
270.05078	0.8
270.29056	0.8
273.07779	0.8
281.04471	1.1
283.20035	0.8
284.06787	1.1
285.98315	0.8
286.04764	3.9
287.05502	1.4
297.03931	1.4
299.05573	2.4
301.07077	40.6
311.05646	3.2
312.06299	5.1
313.07007	9.7
315.05057	1.5
316.05823	7.3
327.05063	1.8
329.06573	100.0
330.07355	90.2
331.08240	5.9
341.11499	0.8
503.08115	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	503.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43335	0.5
53.03929	0.8
53.66778	0.5
55.01873	0.8
57.03421	1.2
61.02859	0.5
65.03914	0.5
67.05475	0.9
68.99794	0.7
69.03421	1.4
70.06568	0.8
71.04954	1.9
71.52882	1.0
79.01833	1.4
79.05461	0.6
79.33173	0.6
81.03429	3.1
81.07049	1.2
81.37032	0.6
84.08150	0.8
85.02914	5.0
91.05467	1.3
93.07037	1.8
95.04925	0.8
95.08562	0.6
97.02859	1.3
97.06546	0.9
99.04406	0.7
101.59147	0.5
103.03931	1.3
103.05442	1.1
105.06996	2.1
107.08583	1.3
109.02898	1.4
109.10123	0.8
119.04947	3.7
119.08569	1.1
120.05755	0.7
121.02878	13.0
122.03667	0.8
123.04390	1.2
127.03893	0.6
131.04938	1.7
131.08498	0.8
133.06444	1.0
135.04346	0.7
137.05029	0.8
137.05992	14.2
139.11183	0.7
145.02838	1.4
145.10059	0.8
147.04414	1.1
149.02374	1.3
149.05927	0.7
151.03983	0.8
153.01790	1.0
159.11642	0.8
161.05949	2.4
163.03851	1.7
163.07529	1.0
165.01820	7.0
171.02942	0.8
173.08113	0.8
175.07535	3.3
177.01837	0.9
183.02921	3.1
187.03810	0.9
187.07506	1.9
191.03358	0.6
191.08517	0.9
195.02863	1.3
197.06013	0.9
199.07542	1.2
205.01282	1.0
210.06596	0.9
211.07513	1.1
213.05539	2.7
215.03403	1.1
217.04926	2.2
219.08069	1.1
227.07010	1.8
237.18356	0.6
241.04939	0.7
243.02888	1.9
243.06453	1.5
247.07564	0.9
251.10709	1.6
255.06514	9.6
256.07300	7.3
259.05862	1.0
261.04083	1.3
267.06390	2.0
268.07236	0.9
270.05261	1.2
271.05991	3.9
279.10193	1.2
281.07855	0.9
283.06027	72.6
284.06793	33.0
285.07486	3.1
285.44592	0.6
291.10229	1.0
293.08252	0.6
295.06036	36.5
296.06613	0.7
297.04358	0.6
297.07571	13.9
298.04590	0.7
305.07996	1.1
307.06052	1.6
308.07025	2.7
309.07553	6.5
311.05530	4.1
311.09576	0.6
311.12729	4.4
313.07071	100.0
314.07437	0.8
323.05414	2.1
323.09134	9.2
323.12854	2.0
325.07108	6.5
327.08716	1.6
333.07507	2.3
337.07065	23.5
343.08179	5.5
351.08539	4.4
355.08264	1.6
361.07104	9.3
367.08057	4.2
379.08188	17.2
397.09167	14.2
401.14090	0.9
415.10318	17.1
433.11209	2.1
467.13364	14.4
467.19656	1.1
485.14435	26.2
503.15491	74.0
504.15738	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	13.5
55.05518	12.9
59.05021	13.9
67.05506	51.2
68.96821	13.4
69.07064	37.9
69.41960	26.1
69.42368	59.7
76.29608	11.2
79.05499	43.7
81.07079	100.0
83.05004	21.4
83.08618	14.6
84.08142	13.9
85.02900	18.0
91.05489	51.7
93.07059	70.7
95.05006	15.8
95.08620	48.9
97.06558	17.6
98.06865	11.8
98.20718	11.1
105.07049	69.3
107.08618	53.7
109.06542	18.4
109.10161	75.3
117.07027	30.5
119.08629	54.9
121.06491	14.5
121.10135	28.4
125.09560	10.2
129.07008	15.2
131.08586	34.8
133.10159	38.3
135.11682	22.8
137.09660	16.8
139.03929	29.5
145.10147	98.8
147.11688	32.6
149.09691	25.8
151.11241	16.6
159.11728	50.4
161.13316	25.3
163.03839	15.1
163.11168	21.6
173.13246	15.4
201.16461	64.3
219.17479	77.5
277.83795	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	502.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63963	3.5
67.05496	14.3
67.08394	3.7
68.02590	3.8
69.07079	20.2
69.20631	3.8
71.30228	7.8
79.05490	10.8
81.07070	64.3
83.08609	9.0
88.72952	4.2
91.05468	8.5
93.07062	30.8
95.08613	47.4
105.07020	14.2
107.04964	7.2
107.08623	25.8
109.10175	35.2
119.08593	11.2
121.06509	5.3
121.10162	28.1
123.11698	18.2
133.10127	6.8
135.08043	4.6
135.11661	15.0
137.13287	5.9
147.11641	7.2
149.13300	21.8
161.13280	10.5
163.07573	7.5
163.14882	10.2
167.07069	25.6
173.97234	4.2
177.16403	5.2
181.08629	100.0
191.18034	6.6
195.10188	11.0
203.18016	7.5
213.11223	25.0
215.35181	4.7
225.11411	5.2
244.33478	4.5
247.61552	3.8
273.25879	8.1
433.25302	4.6
461.61484	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	502.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	7.0
57.03429	12.5
57.07091	24.3
59.05018	4.6
67.05516	73.0
69.07072	8.0
71.08640	21.0
71.53596	5.9
81.07041	15.2
83.08620	11.2
85.10172	8.9
90.66705	4.0
91.05474	7.8
93.79075	4.4
95.08618	13.6
109.09473	7.2
109.10168	74.9
111.52021	3.9
119.08562	5.7
147.04469	7.6
155.10730	8.3
173.11742	17.9
222.87103	4.1
229.14369	100.0
310.31107	5.1
313.27383	86.8
418.19153	4.7
467.37393	56.2
484.41470	4.9
517.58289	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	502.2648
Annotation	Pseudostellarin A
Peak:m/z	Relative Intensity
53.03933	1.0
55.05496	0.9
55.16319	0.3
57.03423	0.7
59.04987	0.8
67.05489	0.4
68.05042	0.4
69.03413	1.3
70.06594	16.0
71.04989	0.7
71.49174	0.4
74.09043	0.4
75.04491	1.9
79.05494	3.0
81.03423	2.8
81.07053	2.1
82.06577	0.9
84.08131	0.4
85.02900	1.1
91.05489	3.2
93.07049	19.5
95.04979	0.6
95.08591	0.8
97.02895	0.9
99.04478	0.3
105.07037	2.0
107.08585	2.1
109.02856	1.1
110.09684	14.4
111.08059	1.4
112.11256	0.5
114.05531	0.5
119.08580	0.7
121.10148	15.3
122.91391	0.3
123.08072	0.4
123.11676	0.4
125.05928	0.4
127.03901	0.5
128.07095	4.6
128.10722	38.4
131.04893	0.5
131.08618	1.5
135.11580	0.3
139.11180	0.6
141.47183	0.3
149.09616	2.3
153.12752	1.0
156.10207	24.2
167.10669	1.3
172.09737	0.4
174.11266	100.0
175.11545	0.6
216.12416	0.4
220.39644	0.3
293.13818	0.7
311.14639	0.6
329.16174	0.6
332.13263	0.5
336.16556	1.2
350.14386	1.1
351.66409	0.4
421.23865	0.3
466.24231	0.3
484.25500	15.4
485.25751	0.4
502.26489	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	502.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	13.5
55.05518	12.9
59.05021	13.9
67.05506	51.2
68.96821	13.4
69.07064	37.9
69.41960	26.1
69.42368	59.7
76.29608	11.2
79.05499	43.7
81.07079	100.0
83.05004	21.4
83.08618	14.6
84.08142	13.9
85.02900	18.0
91.05489	51.7
93.07059	70.7
95.05006	15.8
95.08620	48.9
97.06558	17.6
98.06865	11.8
98.20718	11.1
105.07049	69.3
107.08618	53.7
109.06542	18.4
109.10161	75.3
117.07027	30.5
119.08629	54.9
121.06491	14.5
121.10135	28.4
125.09560	10.2
129.07008	15.2
131.08586	34.8
133.10159	38.3
135.11682	22.8
137.09660	16.8
139.03929	29.5
145.10147	98.8
147.11688	32.6
149.09691	25.8
151.11241	16.6
159.11728	50.4
161.13316	25.3
163.03839	15.1
163.11168	21.6
173.13246	15.4
201.16461	64.3
219.17479	77.5
277.83795	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	502.2651
Annotation	Pseudostellarin A
Peak:m/z	Relative Intensity
53.03944	0.8
56.05034	0.3
58.06554	0.2
59.05001	2.3
65.03932	0.5
67.05495	0.8
68.05051	0.5
69.03433	1.0
69.07056	0.2
69.67367	1.4
70.06598	18.4
71.04979	0.3
74.06097	0.7
79.05499	4.2
81.03428	3.9
81.03879	0.5
81.07067	12.3
82.06589	0.5
84.08141	0.4
85.02912	1.0
86.06065	0.5
86.09702	0.3
91.05483	1.5
92.57864	0.2
93.03419	1.5
93.07056	11.2
93.24641	0.2
95.04948	0.3
95.08606	0.6
97.02905	0.8
98.21488	0.5
99.04451	0.7
105.07049	1.3
107.04960	0.5
107.08584	0.8
109.02898	1.7
110.09692	14.0
111.04434	0.9
112.11259	0.4
114.05526	0.6
116.07093	0.6
119.08604	0.5
121.10160	8.9
123.04440	0.4
125.06018	0.3
127.03925	0.5
128.07103	2.3
128.10727	38.4
131.08585	0.3
139.11133	0.6
144.06586	0.5
145.04950	0.3
147.04424	0.7
148.04829	0.3
149.09636	22.2
156.10214	24.6
160.07593	0.6
161.07890	0.4
167.10692	3.9
172.09770	0.3
174.11272	100.0
175.11642	0.5
216.12413	0.3
221.11604	0.3
237.07582	0.7
290.16229	0.3
293.13794	2.0
311.15005	1.2
315.07953	0.3
329.15991	1.1
336.16608	0.4
350.14560	0.7
456.26212	0.5
466.24744	0.3
468.70398	0.2
484.25452	6.5
484.32343	0.4
502.26538	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3922
Annotation	3beta-Acetoxy-11alpha-hydroperoxy-12-ursene
Peak:m/z	Relative Intensity
61.02926	0.9
62.38402	0.4
69.89042	0.5
71.23638	0.6
71.24007	0.8
74.09734	0.6
79.05492	0.6
81.07063	1.0
85.02914	1.2
85.26868	0.5
95.08618	1.0
97.02930	0.5
107.08599	0.5
141.20422	0.5
233.35179	0.5
265.25208	0.5
339.28876	1.0
387.57520	0.5
387.99530	0.6
501.39230	100.0
502.39508	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01877	8.9
57.03448	6.0
58.06585	2.2
59.73093	1.1
61.02925	4.7
65.03941	1.1
67.05501	3.3
68.99791	5.1
69.03439	39.7
69.03992	1.6
69.07104	1.2
69.20000	5.8
69.20421	5.4
70.06590	2.9
71.05006	5.8
72.08169	1.9
73.02937	5.7
74.09715	2.1
79.05501	3.2
80.07623	1.0
81.03429	30.9
81.07049	5.2
82.06573	2.5
83.01361	1.7
83.04985	3.8
84.08168	1.5
85.02916	100.0
85.06556	1.7
86.09679	2.7
87.00842	36.3
87.04452	1.3
89.87254	1.3
90.48209	1.3
91.03955	2.0
91.05486	6.9
93.07051	5.3
95.04959	2.5
95.08605	3.8
97.02905	31.0
98.21539	2.7
99.04451	14.2
105.01875	46.1
105.07024	4.4
106.06556	2.9
107.04984	1.9
107.08604	2.3
108.04472	1.8
108.54731	1.2
109.02896	32.6
109.06580	1.4
109.10185	2.4
115.03933	1.7
117.01864	3.0
117.07011	2.2
119.04951	2.8
119.08585	2.2
120.70855	1.1
121.06473	7.8
121.10155	2.8
127.03938	61.0
127.07568	1.8
128.06285	2.0
128.07091	10.2
129.01868	3.4
129.06949	2.5
130.06551	6.0
130.07463	1.2
131.04942	3.3
131.08575	5.2
133.06502	2.4
133.10115	1.2
134.06030	16.6
135.04413	2.2
135.08043	2.0
137.09564	2.3
143.08575	2.2
145.02911	1.6
145.04961	21.1
145.06485	14.2
145.10135	3.0
147.02896	2.7
147.04382	4.2
147.08061	16.9
148.04742	1.7
148.07568	7.5
149.09647	1.7
150.05490	1.5
155.08549	4.3
157.06552	1.4
158.07243	1.7
159.02927	12.0
159.08041	7.3
159.11678	1.7
161.09666	2.7
163.03897	1.7
163.07559	2.0
165.07065	1.4
165.09103	5.8
165.10286	3.8
167.07095	1.3
171.08073	17.9
173.05966	1.8
173.09631	20.6
175.11203	25.2
176.07094	4.5
177.05499	3.0
183.08087	3.3
185.09608	1.6
187.07481	2.0
187.11119	1.4
189.03946	2.9
189.09026	3.3
191.10674	6.5
197.09612	3.6
199.11212	11.5
201.09190	3.0
201.11185	1.9
201.12767	10.8
203.84238	1.2
205.12206	1.6
211.07701	1.7
213.03955	4.5
213.09143	2.6
213.12633	2.2
215.10670	8.6
215.14328	2.0
217.12352	6.6
219.13817	50.2
221.09656	1.4
225.12766	4.1
227.10811	1.3
231.04980	17.5
231.10179	2.3
231.13882	2.3
237.14886	6.7
237.18568	1.7
239.10614	1.5
243.13794	21.3
249.06111	5.7
249.14908	2.9
255.10182	3.5
257.11755	1.6
261.14890	71.7
267.13831	2.3
273.11285	7.9
279.15857	7.2
281.11758	1.6
283.13287	2.8
285.14987	5.8
303.15906	5.4
309.14972	8.3
317.13834	1.5
327.15945	24.4
332.13342	2.2
345.13242	2.4
345.17044	21.2
351.15604	2.8
413.15903	5.6
431.17200	14.4
449.18005	4.4
502.21814	3.8
503.70035	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13091	1.7
53.03966	3.2
55.05521	11.9
55.65828	1.8
55.88433	1.8
57.39672	1.8
67.05518	11.3
67.05843	1.9
69.03436	5.7
69.07061	3.6
71.52300	3.1
78.16511	1.7
79.05511	12.7
81.03425	3.8
81.07065	19.0
83.04990	100.0
85.02901	8.3
91.05485	15.0
93.07045	20.0
95.04987	8.1
95.08624	20.4
97.02880	2.8
97.06533	7.4
99.04465	2.2
105.07049	21.7
107.08624	13.0
109.02895	2.7
109.06554	3.5
109.10152	6.7
115.05525	2.4
117.07037	4.8
118.81333	2.0
119.08624	13.3
121.06443	2.9
121.10163	8.8
123.08049	2.5
127.03945	6.1
128.06201	4.2
129.07005	4.1
131.08594	6.6
133.10150	12.8
135.11736	4.6
137.05975	8.6
137.09650	2.7
142.07774	3.5
143.08569	7.1
145.05005	2.4
145.10146	5.5
147.11728	3.5
151.07428	2.8
157.10149	8.4
159.02847	2.1
159.11732	11.2
161.13225	2.9
171.11717	3.1
173.13290	2.9
177.05501	4.4
189.16420	5.6
199.14853	7.0
217.15894	8.5
235.16980	2.5
311.54492	2.2
368.05255	2.2
374.46329	2.3
501.19409	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	501.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	10.3
56.05040	0.6
57.05818	1.0
62.84446	0.6
67.05476	0.7
68.67599	0.6
69.07085	0.8
70.06590	2.9
71.52115	0.8
72.08163	100.0
81.03438	1.2
81.07079	0.7
83.04980	1.2
84.08174	2.7
86.09722	2.6
91.05479	5.9
93.07043	0.6
97.02933	0.6
105.07066	0.8
107.04979	0.8
109.02869	0.6
112.07571	0.8
116.07130	0.9
119.04951	4.9
119.07426	0.6
123.04417	1.0
127.03980	0.6
129.10262	1.1
130.08675	1.0
136.07591	71.0
146.06009	1.0
147.04463	1.7
147.07819	0.6
163.04112	0.6
165.05482	3.6
177.05627	0.9
182.08167	6.8
193.09741	42.5
212.99196	0.6
221.09239	41.7
226.25322	0.5
235.14548	0.9
245.26808	0.6
247.14482	0.6
254.61488	0.7
263.13934	0.7
275.13925	6.1
281.14990	20.5
320.16061	11.5
322.44241	0.7
371.90604	0.6
440.65494	0.6
441.10977	0.6
483.22974	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05516	27.0
55.73568	0.7
57.03165	0.8
57.03443	12.4
57.07085	11.7
59.05018	4.1
65.03938	2.2
67.05512	83.3
69.07076	26.9
69.56614	3.3
69.57025	1.2
71.04990	3.1
71.08645	7.6
71.11858	0.7
79.05511	4.1
81.07069	14.4
83.08627	26.2
85.06542	2.0
85.10165	3.3
87.04514	0.9
91.05497	4.6
93.07040	5.9
95.08617	7.8
97.06538	1.5
97.10180	16.2
107.08607	3.3
109.10166	78.0
111.08076	3.3
111.11707	4.2
119.08584	5.3
121.10148	3.1
124.11241	1.7
125.09669	0.7
135.11726	1.5
137.09654	3.7
155.10651	6.3
157.75224	0.7
173.11757	24.9
229.14375	100.0
230.20753	0.8
244.15480	1.5
283.26324	0.9
311.25830	82.4
312.26413	0.8
313.27307	2.2
396.02185	1.0
465.35803	74.5
466.35895	0.9
500.46729	2.3
501.35886	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1761
Annotation	Genisteone
Peak:m/z	Relative Intensity
53.03950	2.2
53.51892	0.9
55.01871	1.6
57.03437	1.9
61.02929	2.8
63.33814	1.1
67.05533	1.4
69.03430	9.2
69.98746	0.9
70.06597	1.0
70.69022	2.6
71.05005	2.2
79.05495	3.6
81.03417	4.6
85.02911	24.5
91.03972	1.8
91.05484	3.5
93.07071	1.1
95.04992	1.2
97.02898	11.0
99.04497	1.2
99.69180	0.9
103.05469	1.0
105.03366	1.6
105.07034	2.0
105.62768	0.8
109.02891	1.9
116.61932	1.0
119.04938	3.1
119.08588	1.2
122.03636	0.9
127.03906	5.1
129.07025	4.5
131.04930	1.6
135.04431	100.0
137.05998	13.7
141.07050	1.8
143.08672	1.3
145.04951	3.1
145.10178	1.2
147.04404	2.1
149.06001	12.0
151.07495	1.0
157.06512	2.5
158.07310	2.3
160.05090	1.3
161.06003	2.4
161.09671	1.0
163.03952	1.4
163.07614	1.4
169.06505	2.4
172.05229	1.9
173.05988	2.2
174.06790	5.0
175.07578	4.4
185.06039	2.7
186.06749	1.4
187.07568	22.9
189.07507	1.4
189.09117	9.5
190.07861	0.9
191.08582	1.6
199.07611	2.8
201.09152	14.4
203.06908	1.1
203.08595	3.2
205.10149	1.4
215.07080	2.2
216.29735	1.0
216.33549	1.0
217.08617	13.4
217.12125	1.3
219.08090	4.4
231.08055	6.1
232.08839	1.0
233.09642	2.5
235.13358	1.6
237.09175	1.4
247.07623	3.4
248.08414	4.5
249.09154	1.3
251.06984	1.0
251.10762	2.4
260.08167	1.5
261.09073	2.7
263.06699	1.2
263.10666	4.0
264.08084	2.1
269.08157	1.9
275.07053	2.5
276.07953	1.0
277.08621	2.5
278.09213	1.0
279.10147	3.3
289.08667	4.4
291.10187	8.4
293.11725	1.4
294.08817	1.9
295.09683	1.4
303.10059	1.4
306.08902	1.6
307.09637	2.3
309.11246	11.1
321.11252	25.2
323.12781	12.8
339.12332	20.3
345.95187	0.9
356.27817	1.1
405.89902	1.0
501.19290	1.7
501.31705	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
55.01874	10.8
55.05518	8.7
56.05042	1.8
58.06600	2.2
61.42691	1.4
65.03941	7.8
67.05510	8.8
68.99828	1.3
70.06601	7.4
71.07361	4.4
71.52501	1.9
72.08164	37.1
79.05484	7.5
80.05020	1.8
81.03439	7.3
81.07049	5.7
82.06594	3.5
83.04999	1.8
84.08149	2.3
85.02910	3.0
86.09678	2.4
87.04491	2.1
91.05495	74.1
93.03438	7.2
93.07055	12.4
94.06544	2.2
95.04968	5.2
95.08646	3.1
96.04501	2.3
97.02877	1.6
98.06064	4.2
99.54507	1.4
103.05484	2.3
105.03387	2.3
105.07020	8.4
106.06566	6.5
107.04958	17.1
108.08120	3.6
109.06532	2.0
110.06062	2.7
115.05470	7.8
116.06236	3.7
117.07036	22.0
119.04970	27.3
119.08590	6.3
120.08123	7.8
121.02885	2.6
121.06494	1.5
121.08910	8.4
124.07629	3.3
127.03901	1.7
128.06212	5.7
128.07098	4.5
129.07031	10.2
131.04945	5.8
131.08586	77.5
133.06493	2.0
133.10130	6.4
134.09669	4.9
137.05965	6.2
139.09940	7.4
141.06998	26.6
143.03336	2.3
143.07408	1.7
143.08548	3.0
144.05736	12.6
145.02855	2.4
145.06505	8.4
146.09630	2.0
147.04463	10.0
147.07994	2.3
148.04744	2.9
148.07562	2.4
152.07123	2.7
158.09676	2.1
159.08080	54.6
160.07614	4.6
161.07954	2.9
161.09644	6.9
162.09157	7.1
162.12759	1.9
163.03967	1.8
164.10640	1.5
169.06435	11.1
169.07510	1.6
170.09598	1.7
172.11301	2.7
173.05922	1.5
173.09665	1.7
177.05481	2.9
177.09157	2.8
179.06024	1.5
184.07443	1.7
186.09154	4.5
187.07579	42.7
191.11896	1.5
205.08701	2.4
212.14371	1.7
230.15341	11.1
240.13860	2.8
258.14929	100.0
276.15985	57.7
302.18164	1.3
464.19159	16.2
482.20108	42.7
492.95123	1.5
500.20834	5.2
500.27011	2.6
500.35828	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05516	0.8
55.60259	0.6
67.05499	2.0
69.03428	1.3
69.07071	1.4
70.06589	1.8
71.04964	0.7
71.52660	0.6
79.05501	1.4
81.03423	1.4
81.07055	1.0
83.06889	0.6
84.08158	1.2
85.02913	2.2
86.09721	1.7
89.74493	0.5
91.05472	2.0
93.07049	2.2
95.04942	0.6
95.08595	1.8
97.02910	3.6
97.06551	1.1
99.04462	1.0
105.07029	2.8
107.04945	0.8
107.08599	2.4
109.02853	0.7
109.06496	0.6
109.10184	1.6
119.08588	1.1
121.06512	0.7
121.10147	1.2
122.68183	0.5
123.11713	0.7
127.03878	0.6
128.06282	0.7
133.06503	1.6
133.10179	0.7
135.11736	0.9
137.06007	0.8
137.09552	0.5
145.05029	0.5
145.06485	1.2
145.10143	2.7
151.07568	0.8
153.12767	0.5
157.10237	0.7
158.07288	0.7
159.11703	1.3
161.09677	0.8
163.03857	0.6
163.11272	0.7
173.09627	3.0
187.11235	1.1
192.11292	0.6
205.12289	1.0
215.10690	1.3
233.11861	1.1
233.15234	2.3
245.06367	1.3
251.16200	9.0
279.15720	1.3
293.17313	1.2
395.20523	1.3
410.53006	0.5
413.21539	15.1
437.20654	0.7
446.00079	0.5
455.22601	25.8
481.19916	0.8
499.21573	100.0
500.21893	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39674	0.4
65.03943	0.7
69.03425	1.0
70.09489	1.9
73.69830	0.4
80.31203	0.5
81.03429	4.7
85.02893	1.8
87.67789	0.4
91.05489	6.9
97.02919	0.7
98.97591	0.5
105.07056	0.6
107.04973	3.0
109.02890	1.8
115.05481	1.4
117.05795	1.1
117.07039	0.6
119.04950	17.5
120.08138	0.6
121.02888	1.4
127.03880	0.6
130.06509	0.6
131.04938	0.5
132.08105	3.2
133.05255	1.0
133.06493	0.8
134.06020	1.5
145.06490	3.4
146.06001	3.0
147.04422	100.0
148.06583	0.3
148.07579	20.6
160.07594	71.8
161.07890	0.5
165.05537	2.0
170.06027	0.9
172.07597	1.0
184.07596	1.2
190.08627	1.0
191.11807	20.2
193.75327	0.5
200.07094	0.7
206.25603	0.4
212.07115	0.8
227.48911	0.5
238.08786	0.6
278.11731	3.7
288.10263	1.5
291.08652	2.6
306.11237	5.1
309.09726	3.0
353.17123	1.3
420.14517	0.5
450.15549	0.6
468.16541	1.1
481.19888	0.6
499.20801	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53535	1.6
52.22294	1.6
55.33051	1.5
56.85100	1.4
56.96564	11.2
58.99905	1.8
69.03426	2.2
69.36292	12.1
70.06602	3.2
82.99858	4.4
84.08137	4.2
84.96030	5.2
85.01432	1.8
85.02911	2.8
85.59341	1.7
97.02892	2.0
98.20718	2.8
98.97588	47.2
101.00885	23.4
103.02451	4.6
110.97585	17.9
113.00864	10.2
116.07110	4.3
116.98636	9.4
119.01923	17.8
124.99113	2.5
125.00907	1.4
127.02437	16.5
128.98605	12.8
129.03987	1.8
130.08627	2.5
131.00275	2.0
131.01910	20.3
134.99672	1.6
137.00963	2.4
139.02399	4.2
140.98624	5.2
143.00255	8.6
143.01912	31.2
145.03491	45.0
145.04567	1.9
146.99692	2.5
147.01445	2.8
152.98602	3.9
155.01907	36.5
155.03137	2.6
156.98067	5.6
157.03487	20.7
158.99670	14.1
161.01425	3.3
161.02989	21.1
163.04005	3.4
167.01913	19.4
169.03500	7.1
170.99672	13.1
171.01410	9.1
171.05054	2.3
173.02986	43.4
174.99178	20.0
175.04506	1.9
177.00784	5.6
179.01945	8.1
181.03514	3.2
182.99683	10.4
183.01175	2.0
185.02971	50.3
187.04565	6.5
189.00739	8.9
189.02464	5.4
191.02208	2.1
193.00212	7.9
197.02969	17.1
199.00885	5.1
199.04570	3.0
201.00739	24.3
201.02431	1.9
203.04001	15.4
208.04878	1.7
209.02986	3.7
209.69394	1.5
213.00656	1.9
215.04008	9.3
217.00168	8.8
217.01979	67.1
219.01793	20.4
221.05122	7.1
227.04031	12.7
229.01997	8.3
229.05524	1.8
235.01102	2.3
235.03120	12.7
237.02780	10.1
241.02040	2.2
243.01808	8.5
245.05107	100.0
246.05321	2.0
247.00951	2.9
247.03094	12.9
257.05045	14.8
261.02838	33.8
263.06140	14.6
273.02823	4.8
275.06152	18.1
277.04166	25.7
279.03909	12.4
291.03870	6.7
293.07449	3.1
301.04126	13.0
305.07242	13.6
317.07214	1.8
319.05304	28.4
321.04968	20.3
333.05042	2.6
335.08228	3.6
337.06274	40.1
351.05972	8.0
365.09393	15.2
381.07138	5.4
383.10666	1.9
399.08017	3.6
481.08862	6.0
499.11041	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
55.05487	1.5
56.05030	0.4
57.03444	6.6
57.07068	0.4
58.06604	28.8
59.07387	9.4
60.08170	8.7
67.05511	4.5
69.07079	2.1
73.02895	1.0
74.79807	0.3
75.04118	0.3
75.04482	3.3
76.84762	0.3
79.05463	1.4
81.07064	4.3
83.08612	0.5
84.08150	0.4
85.02913	2.1
87.04476	4.2
91.05494	0.8
93.05518	0.7
93.07029	1.0
95.08614	2.5
102.05498	0.5
103.03928	0.8
105.05498	1.1
105.07034	0.4
107.08611	0.6
109.10173	0.5
113.05982	0.4
119.08550	0.5
125.32497	0.3
125.40382	0.4
131.07057	2.0
144.09140	0.6
144.10214	7.6
162.11238	3.4
163.05696	0.3
218.13843	0.6
236.14944	100.0
308.97766	0.3
337.27094	0.4
436.37860	0.5
480.36896	21.1
498.37927	75.6
499.37881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96582	1.1
66.48003	1.0
71.51324	1.4
75.45744	1.0
75.46652	1.1
82.99870	3.1
84.16017	1.1
85.01408	2.3
94.99837	1.8
97.02917	1.9
98.97549	1.7
101.00888	23.9
103.02441	4.4
109.02918	1.3
110.97604	1.6
113.00867	8.6
119.01928	17.9
127.02435	19.1
129.00378	1.4
129.03979	2.7
131.01923	15.5
137.00853	1.1
139.02406	5.5
143.01904	31.4
145.03470	42.4
147.01381	3.9
147.05043	1.0
149.02965	1.4
150.74586	1.0
153.03891	1.1
155.01898	40.2
157.03473	17.6
158.99686	1.5
161.02977	20.8
163.04535	2.8
167.01906	21.0
169.03458	6.4
171.01422	8.6
171.05090	3.5
173.02971	40.8
175.04471	2.6
179.01892	6.4
181.03505	2.6
183.01474	2.3
185.02962	51.3
187.04515	6.5
189.02490	7.0
191.03993	1.3
197.02959	18.0
199.00873	6.1
199.04529	2.9
201.02428	3.3
203.02231	1.8
203.03979	11.8
203.26904	1.1
209.03006	3.9
211.04559	1.6
215.04002	9.6
217.01944	69.0
219.01964	1.4
221.05037	6.2
223.00891	1.2
227.04051	11.5
229.01930	10.1
229.05519	1.3
233.05066	1.1
235.02980	12.2
239.04028	1.3
245.05086	100.0
247.02971	12.5
247.06851	1.8
253.01866	2.0
257.05118	13.0
259.02902	1.3
263.06177	11.5
275.06134	18.6
277.04034	20.1
293.07199	2.8
301.04028	13.1
305.07153	11.0
319.05139	27.4
335.08170	4.6
337.06165	36.6
365.09277	13.7
383.10397	1.3
405.90717	1.0
481.10098	1.2
499.11475	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.5
57.07059	0.3
65.03937	0.6
66.22373	0.2
67.05495	0.4
70.01601	0.3
70.01952	1.1
72.08162	10.2
74.09710	1.0
81.07055	0.4
84.74975	0.3
86.61389	0.3
89.06055	0.3
90.09204	1.4
91.05489	6.4
98.06066	0.3
118.24070	0.3
119.04951	19.0
146.65897	0.3
147.04419	100.0
148.04752	0.5
209.13748	0.2
210.40398	0.3
218.11789	9.3
235.43193	0.3
236.12834	13.5
316.89279	0.3
338.21289	0.3
352.32117	3.9
382.27985	0.4
498.36145	1.5
511.80435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01858	1.5
55.05506	0.9
56.59106	0.6
57.03433	1.5
57.07076	1.0
61.02925	1.0
67.05513	3.2
67.69897	0.6
68.05021	0.7
69.03436	4.7
69.07079	3.4
69.35136	4.9
70.06596	4.7
71.04977	1.4
72.08127	1.4
73.01975	0.6
73.02912	0.6
79.05489	1.8
81.03416	3.0
81.07080	4.3
82.06590	6.8
83.04961	0.7
83.08615	1.9
84.08164	5.2
85.02444	0.8
85.02914	11.6
86.09715	1.0
88.03992	1.8
91.05479	3.7
93.07059	3.4
94.06551	0.8
95.04988	4.2
95.08610	2.4
96.08132	2.3
97.02893	4.6
97.06509	1.0
98.09682	2.7
99.04440	2.2
100.07615	1.2
105.07037	5.1
107.04961	1.6
107.08582	2.1
108.08096	0.9
109.02869	1.3
109.06555	4.9
109.10172	4.2
111.04452	1.5
114.05543	1.0
117.07008	2.0
119.04951	0.7
119.08620	3.6
120.08090	2.5
121.06516	2.7
121.10174	3.9
123.08097	1.4
123.11713	1.3
124.07649	1.0
126.09100	1.0
127.03941	2.5
128.07094	41.2
129.07028	0.6
131.08568	1.6
133.06445	0.6
133.10133	1.9
134.09691	0.9
135.08089	3.8
135.11723	1.0
136.11195	1.7
137.05998	0.9
137.09677	0.9
143.08549	1.3
145.02841	1.8
145.04959	1.2
145.06526	2.2
145.10141	2.8
147.08066	2.0
147.11673	2.3
149.06007	1.2
149.09625	2.2
151.07581	1.1
154.66423	0.7
157.10156	0.9
159.08043	1.5
159.11723	1.6
161.09663	5.2
163.11220	1.8
163.76598	0.6
164.14359	1.4
165.12759	0.8
166.59825	0.7
169.10042	0.7
171.11630	1.1
173.09627	2.0
173.13329	0.9
174.16066	0.6
175.11197	5.5
177.05469	3.1
177.12758	1.0
181.04956	3.1
185.38141	0.7
187.11258	0.8
188.14279	0.7
189.12743	1.4
190.12299	2.6
192.13875	2.1
193.12242	0.9
199.08136	0.6
199.10957	0.7
201.09099	0.7
201.12819	1.8
203.10680	0.7
205.08649	5.1
217.12302	0.7
218.15398	1.3
219.10240	6.2
219.13638	0.8
227.12732	0.9
231.10226	1.0
232.17012	1.4
234.11169	1.6
234.14940	5.5
236.12865	4.3
236.16487	1.4
243.17532	1.8
245.11768	4.4
257.19006	2.8
261.18585	3.6
262.14444	1.0
272.19968	0.8
274.21628	2.5
275.20206	3.1
280.15411	4.1
283.15390	1.7
290.21124	6.5
292.22708	2.4
301.18198	1.4
305.17493	0.9
318.20627	4.2
319.19092	8.3
324.12079	0.8
336.21722	100.0
337.22095	1.8
498.18756	4.3
498.26929	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	498.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36982	0.6
53.03934	0.8
55.01861	1.2
55.05469	1.9
56.04982	0.8
57.03399	2.1
57.07040	1.0
61.02888	2.5
65.03922	0.9
67.05510	4.1
68.04992	0.6
69.03434	5.2
69.07025	2.7
70.06596	5.7
71.04964	1.9
71.38184	1.2
72.08117	0.9
73.02889	0.9
74.06022	0.6
79.05499	3.7
81.03428	3.0
81.07067	4.8
81.93010	0.6
82.06584	6.8
83.04950	1.2
83.08592	1.7
84.08155	5.6
85.02910	12.1
87.04439	1.1
88.03967	1.9
91.03916	1.1
91.05483	3.1
93.07050	3.8
94.06519	0.6
95.04974	4.2
95.08568	2.4
96.08085	2.5
97.02907	5.3
97.06509	1.3
98.09704	3.3
99.04426	2.5
100.07571	2.2
105.07057	4.1
107.04937	1.5
107.08585	2.9
108.08065	0.8
109.02844	2.0
109.03605	0.6
109.06522	4.9
109.10159	4.2
110.09636	0.7
111.04415	1.4
111.08053	1.2
114.05475	1.9
117.03362	1.2
117.06961	1.7
119.08524	2.5
120.08067	2.2
121.02806	0.9
121.06528	3.0
121.10163	4.2
123.11638	1.5
124.07565	0.8
126.09119	1.0
127.03865	2.6
128.07089	44.3
131.08542	2.3
133.06441	1.2
133.10112	2.5
134.09659	1.4
135.08090	3.8
135.11647	2.2
136.11166	1.9
137.05952	1.2
139.07570	0.6
142.08623	0.9
143.08592	1.4
145.02840	3.3
145.05022	1.3
145.06416	2.2
145.10074	1.8
147.08008	1.9
147.11671	2.5
149.09576	2.4
149.13251	0.8
151.07504	1.0
155.08447	0.6
157.10136	1.4
159.08026	1.9
159.11632	1.8
161.09653	6.3
163.07492	0.7
163.11150	2.6
164.14337	1.4
165.05420	0.7
165.12675	0.8
169.09987	0.6
171.11641	0.9
173.09595	2.3
173.13313	1.3
175.11214	5.4
177.05490	4.6
177.12750	1.5
181.04921	2.4
181.12326	0.8
187.11148	1.4
188.30374	0.7
189.12741	2.1
190.12273	2.3
191.10741	0.9
191.14355	0.8
192.13857	3.2
193.12221	1.0
201.09033	0.9
201.12762	2.0
203.10602	0.8
204.13820	0.7
205.08643	4.1
205.12117	0.9
207.13754	0.8
208.13274	0.7
217.12128	0.9
218.15385	2.3
219.10185	7.2
219.13548	0.6
231.10028	0.9
232.16924	0.7
234.11224	1.6
234.14861	5.8
236.12766	4.8
243.17493	1.9
245.11711	5.1
257.19022	2.5
261.18527	3.3
262.14560	1.0
274.21652	3.8
275.20001	4.3
280.15439	5.7
283.15356	0.9
290.21152	6.7
292.22659	2.6
301.17621	1.9
305.17642	2.2
308.22229	1.1
318.20575	5.8
319.19055	9.8
336.21710	100.0
337.22241	1.3
380.97137	0.7
480.16290	1.0
498.19281	3.2
498.26959	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	0.8
62.30569	0.3
63.02378	0.4
67.05476	0.5
69.03391	0.4
70.06598	4.4
70.83619	0.8
72.08162	5.5
79.05469	0.3
81.03396	1.0
82.38539	0.3
84.08148	0.8
85.02928	0.6
89.03917	5.3
91.05493	0.6
93.07038	0.4
103.05444	0.5
105.07064	0.4
109.02871	0.9
112.07610	3.1
112.11266	1.8
117.03388	17.7
117.36626	0.3
119.04947	0.5
119.08649	0.3
121.06547	0.5
121.10175	0.3
124.03944	0.3
127.03907	0.7
129.13902	2.2
134.03613	1.4
135.04448	0.7
140.07077	1.8
145.02858	64.1
146.16512	1.2
147.04427	1.1
149.05988	6.5
151.03902	5.0
155.11787	0.9
162.03143	0.7
163.03929	0.7
169.05045	0.4
172.14493	0.6
176.07047	0.7
177.05482	100.0
178.05795	0.7
186.05547	0.8
219.08885	0.7
233.12808	1.2
234.11264	44.7
248.12897	4.2
251.13855	0.7
300.81952	0.4
304.20300	1.2
305.18625	2.9
306.13727	0.5
322.21246	11.5
324.14401	0.5
348.19366	0.5
480.24930	0.8
481.23318	1.1
498.26062	93.7
499.26285	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.01868	5.3
55.05508	9.0
57.03434	6.9
57.07073	7.6
57.98415	2.0
59.05011	33.0
61.02922	7.5
66.57738	1.8
67.05513	10.7
68.99802	3.3
69.03088	2.7
69.03442	31.1
69.07077	39.7
70.06595	7.2
70.71194	2.3
70.71538	4.3
71.04994	6.8
71.08666	3.7
73.02541	1.5
73.02913	8.7
73.06569	10.3
79.05499	5.4
81.03436	23.6
81.07076	15.3
83.08614	3.8
84.08191	2.1
85.02917	67.9
85.10191	4.3
86.09710	2.5
87.00844	42.4
87.04481	6.5
91.03953	3.0
91.05499	5.3
93.07056	7.5
95.04929	2.7
95.08622	4.3
97.02906	38.6
97.06519	4.2
99.04456	12.2
105.01882	60.2
105.05524	14.7
105.07058	3.9
107.08609	3.8
109.02901	25.5
109.10178	5.5
111.11732	39.5
111.79971	1.6
117.01900	2.1
119.08657	2.3
121.10172	4.3
127.03934	53.1
127.11160	2.4
129.01898	2.0
129.12776	86.2
133.06525	6.5
133.10153	4.1
135.11688	2.9
145.04985	26.9
146.06027	2.7
149.13269	2.6
157.64648	1.9
159.02939	13.3
159.11667	4.4
168.06604	2.5
169.15878	2.0
177.12805	8.3
187.13319	2.9
189.00691	1.7
193.12253	2.6
211.08739	3.7
213.03935	5.2
215.16463	6.5
222.09074	2.1
225.10278	2.5
231.05037	24.6
233.17506	2.2
237.14963	2.0
239.11833	5.7
241.09871	2.2
243.15956	7.0
249.06041	8.4
251.16481	2.4
252.09184	1.7
253.09763	5.3
260.05688	1.7
267.11371	8.8
269.17514	23.3
283.69806	1.7
295.10760	6.1
301.20078	3.5
301.23929	1.5
309.95828	1.7
313.11838	35.6
320.84583	1.6
341.11496	3.2
359.16962	4.3
373.13992	100.0
412.90085	2.1
445.24451	2.5
498.22766	2.7
499.20993	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	498.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.5
53.26563	1.2
53.94141	1.5
54.43191	1.2
54.89181	1.2
55.05510	4.7
57.03428	1.6
67.05491	5.4
69.03442	2.0
69.07051	1.7
69.77348	1.3
70.06604	3.3
71.04964	1.9
71.52924	1.2
71.53363	1.8
72.08154	1.6
75.04493	1.4
77.03921	2.0
79.05070	1.6
79.05499	18.0
81.03390	2.6
81.07075	9.6
84.08137	1.3
85.02902	3.0
85.54475	1.2
91.05477	15.4
93.07058	66.1
95.04958	5.6
95.08606	8.6
97.02905	1.3
97.06519	1.8
103.05493	1.7
105.03404	63.7
105.04478	2.5
105.07037	10.1
107.08600	12.2
109.06496	1.8
109.10135	3.9
111.08066	1.8
115.05494	2.4
117.03358	1.9
117.07025	9.8
119.08598	3.7
120.48039	1.4
121.06455	2.0
121.10159	100.0
123.04433	2.0
123.08035	2.3
123.11698	6.1
124.03921	2.0
127.03921	1.5
129.07030	1.7
131.08543	3.2
133.06473	2.7
133.07593	1.8
133.10147	2.1
135.11720	1.3
139.11195	1.8
145.02919	7.8
145.06502	72.7
147.04338	1.5
149.09618	18.5
151.03908	1.8
151.11249	2.5
153.01807	1.8
157.06494	2.1
159.11676	2.1
167.10674	2.7
169.12277	2.0
177.05486	8.3
185.09662	8.7
186.61774	1.3
201.87048	1.6
224.77289	1.8
234.11305	6.1
265.95950	1.4
269.17538	4.7
279.04932	5.3
283.16986	2.8
297.06131	2.9
301.17926	13.4
301.20871	2.2
315.72604	1.4
373.13925	6.2
427.13834	2.4
498.26294	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	498.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.01868	5.3
55.05508	9.0
57.03434	6.9
57.07073	7.6
57.98415	2.0
59.05011	33.0
61.02922	7.5
66.57738	1.8
67.05513	10.7
68.99802	3.3
69.03088	2.7
69.03442	31.1
69.07077	39.7
70.06595	7.2
70.71194	2.3
70.71538	4.3
71.04994	6.8
71.08666	3.7
73.02541	1.5
73.02913	8.7
73.06569	10.3
79.05499	5.4
81.03436	23.6
81.07076	15.3
83.08614	3.8
84.08191	2.1
85.02917	67.9
85.10191	4.3
86.09710	2.5
87.00844	42.4
87.04481	6.5
91.03953	3.0
91.05499	5.3
93.07056	7.5
95.04929	2.7
95.08622	4.3
97.02906	38.6
97.06519	4.2
99.04456	12.2
105.01882	60.2
105.05524	14.7
105.07058	3.9
107.08609	3.8
109.02901	25.5
109.10178	5.5
111.11732	39.5
111.79971	1.6
117.01900	2.1
119.08657	2.3
121.10172	4.3
127.03934	53.1
127.11160	2.4
129.01898	2.0
129.12776	86.2
133.06525	6.5
133.10153	4.1
135.11688	2.9
145.04985	26.9
146.06027	2.7
149.13269	2.6
157.64648	1.9
159.02939	13.3
159.11667	4.4
168.06604	2.5
169.15878	2.0
177.12805	8.3
187.13319	2.9
189.00691	1.7
193.12253	2.6
211.08739	3.7
213.03935	5.2
215.16463	6.5
222.09074	2.1
225.10278	2.5
231.05037	24.6
233.17506	2.2
237.14963	2.0
239.11833	5.7
241.09871	2.2
243.15956	7.0
249.06041	8.4
251.16481	2.4
252.09184	1.7
253.09763	5.3
260.05688	1.7
267.11371	8.8
269.17514	23.3
283.69806	1.7
295.10760	6.1
301.20078	3.5
301.23929	1.5
309.95828	1.7
313.11838	35.6
320.84583	1.6
341.11496	3.2
359.16962	4.3
373.13992	100.0
412.90085	2.1
445.24451	2.5
498.22766	2.7
499.20993	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.4104
Annotation	Scorodocarpine B
Peak:m/z	Relative Intensity
55.05517	0.8
55.05733	0.2
57.07061	0.6
57.13206	0.2
67.04230	0.3
67.05486	0.6
69.07081	1.0
71.08624	0.2
71.35103	0.2
71.35446	0.2
77.21736	0.2
79.05489	0.2
81.07040	1.0
83.08614	0.5
89.06015	0.7
95.08611	0.5
96.60931	0.2
97.10193	0.3
105.07013	0.5
109.10175	0.3
110.64323	0.2
115.05448	2.9
115.06752	0.2
116.40462	0.2
117.05776	2.0
117.68884	0.2
121.10201	0.2
123.14023	0.2
129.38159	0.2
130.06581	0.2
131.07288	0.2
132.08102	5.0
133.06529	0.9
134.06076	0.2
142.06572	0.9
143.07292	0.3
146.05956	0.8
148.07591	0.6
157.36671	0.2
159.06799	0.5
160.07585	100.0
161.07921	0.6
177.10236	8.8
177.11778	0.4
188.07072	0.3
193.35336	0.2
283.17599	0.3
284.17801	0.2
364.35831	0.4
479.40018	0.5
480.38461	3.0
497.41058	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	497.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.5
55.01877	5.5
55.05511	21.6
57.03443	40.7
57.07111	3.3
59.04989	2.4
61.02934	50.3
65.03950	6.9
67.05511	91.4
69.03436	49.4
69.07081	21.9
69.82224	7.3
69.82623	4.9
71.01363	6.8
71.05001	14.3
73.02937	27.0
75.04494	2.5
79.05065	4.3
79.05502	58.2
81.03429	44.6
81.07066	100.0
83.04979	9.3
83.08627	9.5
83.27206	2.1
85.02434	4.9
85.02918	59.8
87.04461	5.1
87.70842	2.2
91.03976	33.4
91.05497	37.1
93.07055	71.8
95.04979	11.1
95.08619	69.6
97.02905	61.5
97.03531	4.2
97.06542	5.3
97.10197	3.3
98.20791	2.5
99.04467	18.1
99.08089	3.5
101.02398	14.3
103.03961	22.4
105.07044	33.9
107.05011	3.1
107.08589	34.1
109.02898	26.9
109.06538	5.8
109.10178	36.2
111.04469	5.2
111.08109	4.0
111.82652	2.2
112.99293	3.0
115.03931	7.2
117.05515	2.7
117.07047	14.3
119.08603	26.1
121.06587	2.8
121.10159	29.4
123.08055	3.7
123.11723	12.7
125.09698	3.0
127.03938	38.4
129.05482	7.5
129.06999	5.5
131.08562	27.9
133.05031	2.8
133.06552	3.7
133.10144	22.4
135.08075	2.8
135.11696	22.3
137.09627	3.7
137.13297	3.9
143.08572	6.0
145.04944	12.3
145.10129	14.6
147.08060	4.2
147.11736	15.8
149.09665	3.6
149.13257	10.8
157.10219	2.7
159.06517	2.9
159.11731	14.4
161.09660	2.6
161.13287	9.5
163.14847	5.4
171.06593	2.9
171.10216	2.4
171.11720	7.0
173.13298	11.4
175.14883	3.1
177.12720	3.3
177.16396	3.1
183.06583	8.5
185.13167	2.8
187.14873	8.0
189.12689	3.0
199.14894	5.7
201.05827	2.7
201.07651	7.6
201.16422	3.8
213.09172	4.0
241.04826	2.4
241.08591	12.0
243.21140	6.7
251.10880	2.4
259.20627	4.6
261.22198	28.8
287.09372	2.8
301.21786	4.1
303.23172	2.8
307.09750	4.6
327.23138	3.0
335.25836	83.0
345.24200	4.5
369.24188	8.1
381.15936	2.4
387.25595	3.5
403.24985	3.0
405.26297	10.9
443.28156	3.0
461.13757	7.3
461.28931	5.7
479.14917	3.7
479.30063	8.4
497.15979	5.0
497.31125	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
56.05031	1.1
57.03433	0.4
57.07082	2.8
58.06585	1.6
60.08169	16.4
67.01382	0.3
67.05505	0.8
69.07057	0.7
69.28764	1.4
69.29196	1.5
70.06594	0.5
71.07378	6.5
71.08630	1.4
81.07051	1.0
83.08627	0.8
85.10169	0.9
86.09712	50.3
92.73596	0.3
95.08601	1.7
98.98470	3.7
104.10751	93.1
109.10131	0.7
125.00015	27.1
163.01506	0.7
184.07355	100.0
225.09627	0.3
258.11066	0.9
281.04755	0.4
313.27283	2.0
379.56168	0.3
478.32990	9.7
496.34018	38.8
497.34204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56313	0.2
55.05512	0.4
56.05427	0.2
65.03944	0.9
67.05493	0.2
70.25536	0.6
70.65173	0.2
72.08163	12.1
73.06548	0.3
75.91904	0.2
79.05460	0.2
81.07048	0.4
89.06030	0.8
90.09201	1.9
91.05488	7.5
93.07051	0.2
98.20818	0.3
113.03725	0.2
119.04953	19.2
120.74280	0.2
133.08588	0.4
147.04420	100.0
148.04735	0.5
218.11780	8.2
236.12840	11.6
283.17615	0.5
339.28857	0.2
339.64908	0.2
350.30545	4.3
350.34869	0.2
430.70416	0.2
496.34650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1427
Annotation	CHEBI:67640
Peak:m/z	Relative Intensity
55.05510	3.2
56.96572	2.7
62.75716	1.0
69.03442	1.3
71.52416	2.1
82.06586	4.8
83.06914	1.5
85.02895	1.5
86.09719	1.6
93.07045	1.1
93.98753	1.0
96.61343	1.0
97.02890	1.8
98.97594	7.3
105.07005	1.3
105.95049	1.2
110.97591	1.2
118.41319	1.2
123.04478	1.1
124.99125	2.3
128.07103	12.6
128.98616	1.2
129.07439	3.4
137.05959	1.2
143.00182	3.1
143.42560	1.1
158.99629	3.3
159.14235	1.0
161.01213	2.0
168.40771	1.1
170.99706	1.3
177.00801	1.6
195.06587	4.8
197.31331	1.3
219.01811	3.3
237.02861	2.0
241.13501	1.3
315.12497	1.6
332.13275	1.4
333.13824	2.9
351.06009	2.1
479.18637	1.6
484.59277	1.2
497.14203	100.0
497.20142	5.3
498.14905	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
55.01881	2.7
55.05513	1.5
57.03440	2.5
57.07064	1.3
59.06980	1.0
61.02931	1.7
67.05509	2.1
69.03441	9.1
70.06590	1.2
70.28694	1.1
71.04995	1.6
73.02901	1.3
79.05475	1.7
81.03429	10.3
81.07056	3.6
83.05010	1.6
85.02914	21.1
86.09707	1.3
86.11514	1.1
87.00848	8.6
91.05453	1.5
93.07050	2.1
95.04928	1.2
97.02906	11.6
97.06556	1.6
99.04466	4.2
103.05487	1.2
104.90260	1.0
105.01858	6.1
105.07025	1.6
107.08563	1.5
109.02901	10.4
109.10159	1.7
111.04404	1.7
113.06120	1.3
115.05500	1.0
123.04478	1.9
127.03935	15.7
128.06255	1.2
129.06995	2.5
139.03867	1.1
145.04968	5.1
145.06485	2.1
145.10156	1.2
151.03888	2.4
151.07561	2.6
157.06508	12.4
158.07265	10.7
159.02913	4.5
159.04376	2.4
159.08037	1.6
161.05972	1.8
162.04092	1.0
162.06787	1.1
165.09138	4.6
169.04984	2.4
172.05263	1.5
172.08810	5.2
173.06023	1.8
173.09683	1.2
174.06770	14.6
174.10397	2.3
175.07590	1.1
177.05389	1.3
186.06804	1.3
187.07599	1.3
188.08351	8.4
189.03969	2.3
189.09122	69.2
193.04987	1.1
195.06546	3.4
201.09123	100.0
203.10699	18.2
205.12248	5.4
213.03978	1.6
213.09048	1.2
215.10692	3.8
219.10098	8.8
231.05048	3.2
231.10114	2.3
233.11743	22.8
235.06030	1.3
249.07784	1.2
249.11259	6.2
259.09686	1.1
273.05966	6.3
302.55441	1.2
316.13727	1.2
332.88223	1.2
386.83783	1.2
486.76697	1.4
491.19174	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.2
56.05033	0.5
56.69645	0.1
57.03419	0.1
57.07081	0.7
58.06364	0.2
58.06633	0.5
59.07380	0.1
60.08168	5.3
67.05473	0.2
69.07052	0.2
70.96034	0.2
71.07377	2.9
71.08627	0.4
81.07061	0.4
85.10175	0.2
86.09711	27.1
91.76231	0.1
95.08620	0.3
97.10241	0.1
98.98468	2.6
101.87636	0.1
104.10752	3.0
109.10163	0.2
125.00013	18.9
184.07353	100.0
185.07651	0.3
219.93192	0.1
258.11240	0.2
287.16406	0.1
313.27328	0.3
316.36920	0.1
478.32932	1.2
496.34006	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05505	0.4
56.05035	0.9
57.03441	0.5
57.07080	3.4
58.06584	1.4
59.07375	0.4
60.08166	17.0
67.05505	0.5
69.03197	0.3
69.07068	0.6
69.96601	0.6
69.97015	0.5
71.07381	7.0
71.08631	2.1
81.07060	1.1
83.08643	0.5
85.10194	1.2
86.09711	51.3
95.08625	1.2
96.01649	0.2
97.10175	0.4
98.20894	0.3
98.98471	3.6
98.99068	0.4
104.10750	100.0
105.11084	0.4
109.10178	0.4
125.00010	27.4
149.13943	0.2
163.01550	0.5
167.84364	0.2
176.34071	0.2
181.02705	0.2
184.07349	96.1
258.11121	1.1
268.58722	0.2
313.27353	1.9
419.25519	0.3
478.27332	0.2
478.32944	9.2
496.34012	39.2
497.34091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12282	0.2
55.05507	0.2
56.75792	0.2
57.03439	0.2
63.16125	0.2
63.77204	0.2
65.03957	0.2
67.04243	0.8
69.03436	0.8
70.06590	0.5
71.38330	0.3
76.90008	0.2
76.90421	0.2
79.05482	0.3
80.05039	0.3
81.03425	1.0
81.07037	0.3
82.06589	18.2
83.07375	0.3
84.08144	0.4
85.02912	0.9
86.09700	0.2
91.05481	0.2
93.07056	0.2
95.04971	0.2
97.02878	0.2
97.80206	0.2
98.20828	0.2
100.06985	0.3
100.07627	4.7
105.07032	0.3
106.02905	0.2
109.02894	0.2
114.05547	0.5
114.36709	0.2
121.02878	0.3
123.04431	2.6
124.03959	0.5
126.09144	0.9
127.03928	0.3
128.07091	100.0
129.07451	0.3
133.10080	0.2
135.11752	0.3
142.08640	1.4
151.03946	1.0
161.06078	0.3
168.06624	0.3
171.08150	0.2
186.07732	0.4
188.09209	2.2
193.12248	0.3
248.12836	3.3
267.15900	0.2
278.38861	0.2
285.17111	0.3
286.12875	0.5
293.39514	0.2
296.11392	1.3
314.12314	3.2
332.13428	12.2
333.13977	0.2
360.34259	0.2
457.68448	0.2
496.21811	5.6
513.28680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	5.7
58.06610	100.0
70.06586	16.0
71.50312	5.6
71.50673	6.3
79.23609	4.1
84.08157	17.3
91.05473	10.9
98.97602	25.0
106.42510	5.0
110.97499	5.7
111.32593	4.2
119.04961	5.9
124.18271	4.6
127.02512	4.7
130.09805	6.2
137.06004	58.5
143.00221	4.9
144.10172	8.1
154.08603	26.1
158.99649	10.7
159.05148	5.9
160.07591	44.9
166.02689	36.5
170.99573	6.3
172.02840	7.2
175.11908	6.5
181.05022	5.2
182.99646	6.1
201.00743	18.6
214.03961	11.4
214.07414	25.5
215.05194	17.4
219.01797	12.3
232.04935	17.6
232.08635	8.8
245.04965	6.4
261.02878	21.8
274.05951	5.9
279.03952	5.3
321.04871	9.1
322.12912	11.1
367.18640	89.7
409.39758	5.4
478.11142	56.9
496.12704	77.4
496.19510	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	496.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51736	2.3
53.03934	6.4
55.01864	7.3
55.05506	10.5
57.03424	7.0
57.07066	2.0
57.13664	2.1
61.02921	6.2
62.45313	2.0
67.05510	13.8
68.99779	2.6
69.03438	35.0
69.07068	11.2
70.06582	8.9
70.37121	8.5
71.05006	15.7
71.08638	2.2
72.08164	3.8
73.02911	5.5
79.05498	8.0
81.03421	22.9
81.07065	36.0
83.01337	2.2
83.08615	15.4
84.08135	8.7
85.02912	100.0
85.06525	5.6
86.09698	4.4
87.00839	51.0
88.70567	2.1
91.05472	5.2
93.07053	22.6
95.08614	63.0
97.02894	28.9
97.10178	5.9
99.04465	13.0
99.84922	2.2
105.01199	3.9
105.01876	73.7
105.07071	3.0
107.08601	27.8
108.04478	2.7
109.02885	28.1
109.10168	25.1
111.04487	2.0
113.09620	2.6
116.07066	2.6
117.01862	2.4
119.08532	2.1
121.10156	35.7
123.11723	15.7
126.05528	2.3
126.18118	1.8
127.03930	75.9
129.01855	3.1
129.10220	2.3
130.08627	3.0
131.08530	2.0
131.10648	2.7
131.51881	2.0
133.10133	2.6
135.11702	13.1
137.13254	21.0
139.14833	5.3
141.05478	4.8
145.03917	3.3
145.04967	29.3
149.13196	3.1
151.14850	3.2
152.07060	4.6
153.07388	4.1
159.02875	11.2
175.14795	3.5
177.16400	61.8
180.06528	2.8
195.17455	7.9
204.06038	1.9
208.06126	3.6
209.06435	2.6
213.03937	4.4
213.16429	4.0
213.18503	63.0
231.05040	33.2
249.06085	15.4
265.22296	1.8
327.53674	2.0
334.14679	6.8
425.21722	6.9
443.22708	3.8
465.25079	2.0
484.70743	2.4
496.25748	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	496.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
57.03455	3.8
58.06603	0.6
61.02929	1.4
65.93550	0.4
67.78561	0.4
69.03438	6.2
69.29047	3.7
70.06587	0.5
71.01356	1.5
71.04998	1.4
73.02919	1.6
75.04472	1.3
79.05499	0.5
81.03420	2.9
84.08147	0.9
85.02892	1.0
99.04479	2.4
110.07137	0.4
111.41173	0.4
124.03969	1.2
127.03944	0.6
128.07097	1.2
130.08659	1.0
136.03954	2.4
137.06033	0.7
139.33736	0.4
141.07033	0.4
145.04918	0.5
151.03947	0.5
153.09117	0.7
154.05011	7.9
163.04431	0.9
167.07050	1.0
177.04875	1.8
181.04974	4.1
189.04926	1.0
195.10277	0.8
202.04364	4.8
204.05922	11.0
206.07675	0.5
213.11304	0.5
216.05946	2.8
218.07582	0.5
227.09227	0.5
230.03880	2.1
230.07492	0.8
232.05338	2.0
242.07913	0.8
243.08688	0.7
244.05446	2.5
248.04826	3.3
250.06407	1.2
256.05411	0.9
257.04895	0.4
258.07065	0.6
267.08884	1.0
269.09030	2.5
270.09897	1.5
273.04361	2.2
274.05411	0.9
275.06015	43.4
276.06546	0.5
280.08218	1.9
286.05191	5.0
287.06000	10.0
298.09357	0.8
299.06027	2.8
301.07483	2.6
317.07104	0.8
328.11404	0.5
344.05646	0.4
345.06622	1.1
391.10806	1.5
403.10919	1.2
404.15759	6.1
409.11816	100.0
410.12192	1.1
418.17175	0.9
421.11786	4.3
435.13412	1.1
464.03427	0.4
496.14911	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	495.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78255	1.1
55.05513	1.7
67.05507	5.3
69.07072	14.5
73.96430	1.2
79.05511	3.1
81.07076	6.1
83.04983	1.2
91.05472	4.3
93.07073	2.2
94.04179	2.6
95.08624	2.0
97.06545	1.2
98.21465	3.1
103.05482	4.1
105.07072	2.6
107.08625	1.8
109.06561	2.7
109.10178	1.5
113.63239	1.2
115.05473	2.6
115.93322	1.2
117.07023	3.9
119.08574	1.9
121.06573	1.5
122.03665	8.4
128.06268	2.9
129.07011	7.1
131.04947	10.8
131.08635	2.5
135.90276	1.1
137.05997	100.0
141.06978	2.4
142.07771	1.5
143.08589	3.0
144.05751	1.8
145.06528	6.3
145.10150	2.5
148.05161	2.2
149.05994	2.6
151.03914	6.3
151.07582	7.5
155.08572	1.7
157.06534	6.0
158.07295	2.0
159.08043	3.4
160.05212	3.0
161.05959	2.9
161.09669	1.5
163.07561	11.9
163.11186	1.6
165.05524	3.4
171.08035	3.3
171.11725	1.4
173.09679	4.9
174.06778	3.0
175.07567	20.4
176.08252	1.8
177.05534	1.8
177.09113	7.4
183.08092	2.4
185.09648	3.9
187.07573	10.0
188.08385	2.7
189.09163	13.7
191.10687	4.7
193.08636	1.7
195.08128	2.2
197.09663	2.1
199.07617	3.9
199.11203	1.9
201.09125	7.4
203.08952	1.6
203.10632	6.8
205.08669	4.0
205.12218	10.2
213.09113	1.4
215.08960	1.3
215.10680	6.6
217.08641	2.1
217.12292	5.4
219.10245	3.1
219.13800	3.5
221.11842	2.7
225.09229	2.2
227.10716	1.9
229.12285	3.8
231.13828	12.7
232.08943	1.3
233.11777	3.0
243.13881	1.8
243.83481	1.4
245.11780	2.8
245.15379	6.9
249.09058	1.7
255.10213	2.1
255.13789	3.7
257.15329	2.9
263.10803	1.5
271.16873	2.4
273.18503	5.6
277.08606	1.6
282.08990	2.0
283.09689	3.8
285.14954	1.8
289.17932	3.5
291.10110	2.2
295.09671	2.1
303.10114	1.8
323.12814	5.0
323.20169	1.7
331.13193	1.7
335.12769	3.7
337.14386	1.6
353.13889	4.6
353.21194	3.7
361.14307	1.7
363.16058	1.8
391.19293	2.3
406.21606	7.9
407.22116	3.5
409.19922	1.7
419.22083	2.3
421.20203	2.5
426.20535	3.0
427.21475	1.8
437.23422	7.4
459.25250	5.4
472.10822	1.6
477.26480	26.7
495.27515	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	495.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08171	3.5
65.07677	1.5
67.05495	1.9
69.07078	20.4
69.79665	7.7
81.07014	3.0
85.06528	4.4
86.09705	10.1
87.10036	2.1
91.05472	2.8
94.04169	1.9
95.08553	2.1
97.93063	1.5
98.21494	2.4
103.05470	2.2
103.54141	1.7
104.10754	15.6
105.11098	3.0
115.05457	3.6
122.03657	5.6
124.99995	6.6
128.06229	1.9
129.07033	8.4
131.04974	3.3
131.66556	1.5
137.05998	77.8
143.04916	1.6
144.05684	6.6
145.06499	2.6
151.04001	1.6
151.07515	2.9
157.06551	9.8
160.05240	7.3
163.07558	3.6
172.05209	10.3
174.06783	9.4
175.07570	39.7
179.07094	1.9
184.07364	17.5
185.07680	5.7
187.07568	100.0
189.09117	22.8
191.08618	1.5
191.10657	1.6
199.07544	2.5
201.09142	1.7
203.08611	5.2
205.12213	3.7
209.58327	1.5
211.07585	2.4
217.08609	17.6
219.08104	4.4
219.10170	6.6
220.08850	2.8
227.07004	3.5
231.08064	6.8
232.27040	1.4
236.08199	3.4
237.09125	2.1
240.07832	3.6
247.07660	2.3
248.08357	6.4
251.10649	3.2
255.06552	3.3
255.13872	9.2
259.07443	2.2
263.10776	8.6
264.07736	2.4
265.08578	2.4
270.09006	10.8
271.09628	4.5
274.84033	1.6
276.07901	4.8
277.08707	1.8
279.10245	10.1
283.09634	3.8
291.10159	18.9
293.08133	4.8
296.10333	3.4
308.10483	2.1
311.09604	2.0
311.12900	19.4
323.12796	36.9
335.13055	1.7
338.15173	2.4
341.13849	25.3
372.93878	1.6
391.19040	2.8
400.26694	1.4
409.20004	8.6
475.08331	1.6
477.31836	3.7
495.32458	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	495.2745
Annotation	Artesieversin
Peak:m/z	Relative Intensity
53.03958	1.1
55.05508	4.2
57.07079	3.8
63.83142	1.0
67.05511	6.1
69.07080	6.6
71.08652	1.9
71.52507	1.4
72.06635	1.1
79.05505	2.8
81.07065	15.3
83.08620	2.2
87.04525	1.0
89.06059	1.7
91.05481	3.8
93.07060	3.1
94.04191	2.6
95.08607	12.7
95.55365	1.1
97.10152	1.5
103.05469	2.1
107.04911	1.8
107.08626	2.0
109.10152	4.6
112.34498	1.3
115.05469	2.1
117.07018	2.5
122.03669	6.1
123.11720	3.6
128.06186	2.0
129.07065	2.5
131.04970	1.8
131.08569	2.3
137.05991	100.0
137.13263	5.1
141.06990	2.0
143.08540	1.5
143.25821	1.2
145.06488	5.2
151.03932	6.6
151.07549	7.5
153.05406	1.4
157.06528	4.2
158.07259	1.7
159.08041	1.7
160.05205	2.0
163.07578	4.3
165.05513	1.6
171.08047	1.7
173.09782	1.2
174.06789	1.4
175.07564	12.2
177.09148	5.7
185.09683	1.3
187.07550	10.8
188.08357	1.6
189.09088	7.7
191.10703	1.7
195.08154	2.2
199.07568	4.8
201.09099	7.7
203.10687	3.2
205.08638	4.8
213.09172	1.9
217.08585	3.2
219.10197	3.3
227.10686	1.5
229.08578	1.5
231.08066	2.1
231.10193	2.3
232.08817	1.7
233.09723	1.4
239.10786	1.8
240.07854	2.8
248.08324	1.2
255.10216	4.7
257.15466	1.5
263.10727	2.1
265.08539	2.2
271.16956	3.2
273.18552	2.5
275.10510	2.1
283.09689	13.3
291.10159	3.1
293.11938	2.2
295.09543	1.9
303.10153	2.1
305.11685	1.8
307.09717	1.6
309.11365	2.1
320.10428	1.7
321.11191	1.9
323.12936	8.7
323.16107	1.7
323.20059	5.4
335.12750	3.6
353.14090	6.9
353.21030	3.5
355.15396	1.7
371.14941	1.4
406.21436	11.8
419.22269	1.5
447.25250	1.9
452.55536	1.2
459.25385	11.5
465.26218	2.1
477.26413	44.9
495.27515	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	495.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26175	1.1
54.75061	0.8
55.05514	2.4
55.31868	1.0
57.07082	2.4
59.05003	2.3
65.03992	1.1
67.05507	1.5
69.07076	19.0
70.41500	2.0
70.41853	2.7
71.08640	2.1
79.05502	2.6
81.07062	4.5
83.04995	9.6
91.05486	4.3
94.04182	2.9
95.08610	3.4
99.43168	1.3
103.05487	5.1
105.07058	1.5
107.04977	1.6
107.08564	1.2
112.43810	1.1
115.05447	4.7
117.07045	5.5
119.08631	1.5
121.06493	2.2
122.03678	6.7
123.08047	1.3
123.47678	1.0
128.06232	4.4
129.07051	5.4
131.04951	10.9
131.08556	2.4
133.02820	1.3
133.10201	1.1
135.04483	1.2
137.05989	100.0
141.07034	1.5
142.07724	1.0
143.05019	2.3
143.08539	4.6
144.05611	1.9
145.06488	11.3
145.10143	4.5
147.08090	2.1
148.05188	2.4
149.06017	3.5
151.03923	6.7
151.04939	1.2
151.07552	15.1
155.08562	1.6
157.06490	7.1
158.07333	1.9
159.08072	3.2
160.05208	3.1
161.06049	2.0
161.09558	1.2
163.03786	1.3
163.07536	15.7
165.05518	7.0
165.06839	1.7
165.09186	1.6
167.08540	1.3
169.06473	2.0
170.07147	1.0
171.08089	5.9
171.11723	1.2
172.05205	1.7
172.08965	1.2
173.09625	5.7
174.06783	5.3
175.07552	22.6
176.08368	2.4
177.05499	1.6
177.09085	7.2
179.07106	1.4
181.06541	1.1
183.08125	1.7
185.06026	1.8
185.09581	2.1
186.06807	1.2
187.07576	17.1
187.11201	3.1
188.08353	2.4
189.09122	16.4
191.07034	1.5
191.08899	0.9
191.10690	4.5
193.08572	2.1
195.08107	1.7
197.06032	1.5
197.09657	1.5
199.07549	5.6
201.09064	8.5
202.09705	1.3
203.08757	2.0
203.10648	10.3
205.08633	4.2
205.10391	2.0
205.12236	16.8
207.10146	7.7
209.09633	1.3
211.07616	2.5
213.09117	3.0
214.09889	1.5
215.10773	5.8
215.12524	1.0
217.08658	6.1
217.12262	5.0
219.08214	2.1
219.10085	5.2
219.13641	2.1
221.11705	6.8
225.09164	2.1
227.07123	2.0
227.10674	1.4
229.08675	3.3
229.12228	3.1
231.08063	2.8
231.10225	2.3
231.13794	9.6
232.08972	1.3
233.09691	1.3
233.11812	2.5
237.09120	1.8
239.07051	1.7
239.10696	1.2
240.07851	3.7
241.12236	2.7
243.13832	2.9
245.15405	3.8
248.08369	2.8
249.09335	1.0
251.10760	1.2
252.07921	1.1
253.12224	1.8
254.84375	1.0
255.06564	2.5
255.10208	3.2
255.13939	3.7
256.07446	1.1
257.15353	2.5
261.09036	1.1
263.10892	2.3
265.08636	2.4
267.13470	1.1
268.07462	1.8
270.08838	7.4
271.09659	2.7
271.16913	2.9
273.18521	5.1
275.10678	2.2
275.16626	1.1
276.07959	2.3
277.08633	3.2
279.10199	2.6
282.08905	1.7
283.09622	14.2
285.14932	3.6
287.16534	1.7
289.17923	3.2
290.09351	1.2
291.10162	8.5
292.10791	1.7
293.11868	1.3
295.09705	4.6
297.11203	1.4
303.10101	1.5
307.09808	3.4
308.10477	2.6
309.11240	1.7
317.11752	1.3
320.10535	1.2
321.11319	2.5
323.12790	16.0
323.20120	2.1
333.06149	1.2
335.12839	6.1
338.15137	5.6
339.15872	1.5
341.13910	5.7
347.12701	1.4
351.15897	3.8
353.13870	3.2
353.21005	2.4
361.14294	1.4
363.15756	2.0
371.15173	4.1
377.17184	1.4
390.18365	1.3
391.19073	5.5
403.19028	2.5
406.21469	8.9
407.22351	2.9
407.30078	1.0
409.20184	6.1
419.22260	2.1
421.20258	3.2
426.20175	1.5
427.21530	2.9
437.23300	3.9
439.20892	2.3
447.25616	1.4
459.25308	5.4
465.26175	1.5
477.26334	29.1
495.27295	19.4
509.26450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28144	5.7
54.28701	6.0
55.05531	8.5
67.05511	14.8
69.07079	26.7
71.53018	8.7
79.05463	8.7
79.31621	6.8
81.07069	18.7
83.04992	26.2
89.06052	7.1
91.05508	14.9
92.73340	5.5
95.08617	10.6
113.00015	13.6
115.05489	5.4
129.07042	14.3
137.05992	100.0
138.36739	6.3
143.08627	6.4
145.06479	10.9
146.55830	5.4
146.77196	6.3
147.04366	7.3
151.03845	8.2
151.07567	13.7
157.06509	8.8
160.05281	8.7
161.06107	5.9
163.07578	16.5
165.05472	11.2
169.02576	10.0
171.08066	8.6
174.06822	12.6
175.07629	27.3
177.09042	9.0
187.07553	32.8
189.09148	13.3
203.10645	13.5
205.08705	8.5
205.12260	15.4
207.10173	34.6
217.08694	11.0
221.11911	10.3
227.06947	9.8
233.97247	6.9
237.09297	6.2
248.08379	7.0
255.06609	8.4
255.10223	6.0
263.10757	11.0
270.08853	34.2
271.09769	14.3
283.09665	25.8
285.14740	7.5
289.97079	5.9
291.10211	24.9
295.09631	6.5
308.10339	7.6
323.12830	42.5
335.12384	10.0
337.27365	11.0
338.15317	10.0
338.27579	37.8
341.14026	14.7
358.06793	11.9
373.09085	15.8
406.21301	11.2
477.26559	33.5
495.27411	14.0
495.34186	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	495.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
57.07088	1.0
59.04986	2.3
69.07076	11.6
79.05503	1.9
81.07079	1.7
91.05472	2.5
94.04189	2.3
95.08633	2.0
100.46862	0.7
103.05503	3.8
105.07003	2.0
107.04971	1.0
109.06452	1.1
115.05441	2.5
117.07027	4.4
121.06532	0.9
122.03662	8.0
124.68917	0.7
126.78041	0.8
128.06223	2.9
129.06990	4.7
131.04938	11.7
131.08562	1.4
133.06462	1.0
135.04459	1.4
137.05991	100.0
141.06978	2.5
142.07771	0.9
143.04976	1.3
143.08571	1.9
144.05672	1.1
145.06506	7.8
145.10121	3.3
147.08049	3.1
148.05205	1.2
149.05995	2.0
151.03970	4.6
151.07573	7.6
153.07016	1.1
155.08536	2.3
156.09357	1.2
157.06509	6.0
157.10135	2.1
158.07240	1.9
159.08076	2.5
160.05180	2.5
160.76125	0.8
161.05992	2.7
161.09665	0.9
163.07550	11.4
165.05460	3.2
165.06882	1.1
165.09125	0.9
167.08562	1.2
169.06531	1.6
171.08069	3.5
171.11760	2.0
173.06015	1.4
173.09673	4.1
174.06789	3.1
175.07562	20.3
176.08348	2.4
177.05579	1.0
177.09125	6.3
179.08569	0.9
183.08084	1.8
184.08745	1.2
185.06030	1.1
185.09605	3.1
187.07527	8.4
187.11143	2.3
188.08328	3.0
189.09122	16.4
191.07019	1.3
191.10690	3.5
193.08618	1.7
195.08025	1.1
197.09656	2.4
199.07552	3.5
199.11215	1.9
200.08348	1.1
201.09131	8.3
203.10687	6.8
205.08585	5.3
205.12234	10.5
209.09592	1.0
211.07556	1.4
211.31702	0.8
213.09113	2.5
215.10687	5.3
217.08652	1.9
217.12231	7.1
219.08301	1.1
219.10121	4.3
219.13754	2.4
221.09749	1.1
221.11713	2.9
223.11234	1.1
225.09192	1.7
227.10628	2.1
229.08742	1.1
229.12311	3.1
229.18515	1.0
231.10164	1.6
231.13803	14.2
233.11806	3.2
241.12321	1.7
243.13777	1.8
245.11821	1.2
245.15396	6.5
255.10312	1.3
255.13829	2.5
257.15369	3.0
259.16931	1.0
261.09024	1.1
265.12231	1.2
267.13828	1.5
268.07263	1.1
271.16937	3.2
273.18539	7.5
282.08859	0.9
283.09525	4.0
285.14963	1.5
285.18427	0.9
287.16354	2.4
289.18088	5.6
291.10172	1.1
295.09604	1.2
297.18903	1.0
303.10184	1.1
305.11746	1.1
308.10510	1.0
321.11057	1.4
322.12082	0.9
323.12875	3.1
323.20068	2.8
335.12915	2.0
337.14291	1.3
351.16083	1.7
353.13834	2.4
353.21112	3.4
363.15836	1.6
371.15024	1.7
381.16888	1.4
403.19464	1.5
406.21420	4.5
407.22324	2.2
409.19876	1.9
419.22391	0.9
421.20068	2.0
426.20053	2.3
427.21719	1.2
437.23425	6.1
439.21127	2.1
447.25131	1.7
459.25351	3.5
477.26373	20.4
495.27521	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1846
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
57.03429	0.5
62.90356	0.4
67.05488	0.4
68.98087	0.4
69.03416	1.3
69.07039	0.5
69.33363	0.4
70.06567	0.6
72.08163	0.4
79.05500	0.7
81.03429	1.7
81.07066	0.7
81.80627	0.4
85.02908	1.6
91.05486	0.7
93.07055	0.7
95.08630	0.8
97.02909	1.1
98.21623	0.8
105.07041	0.7
107.04970	0.7
107.08566	0.6
109.02890	0.8
109.10231	0.5
111.04450	0.6
118.04589	0.4
124.03992	0.8
127.03920	1.0
140.68375	0.5
147.04393	1.1
151.03923	12.8
151.05121	0.8
152.04242	5.7
152.05331	0.9
153.05351	0.6
163.03914	1.0
169.04927	2.2
170.05284	0.8
175.03902	1.0
181.04955	0.5
185.04330	0.5
228.40680	0.6
229.06996	0.5
235.21858	0.4
259.05746	0.7
265.86276	0.4
268.08167	0.6
291.08334	0.7
296.08701	0.8
313.09216	1.1
314.09528	0.7
316.45627	0.4
331.09995	1.2
333.06049	0.9
349.12659	4.0
445.33215	0.5
495.18439	100.0
496.18478	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.3
55.05502	3.9
57.03430	2.7
58.06600	6.6
60.25230	2.7
61.02929	5.1
67.01875	3.5
69.03423	9.0
69.55542	6.8
69.55968	11.9
70.06604	7.0
79.05490	4.5
79.75072	2.8
81.03419	10.1
83.04990	4.6
85.02901	16.6
91.05471	5.4
93.03390	3.4
93.07050	3.0
97.02900	6.0
98.20861	6.4
99.04456	8.5
103.03963	7.0
107.04969	8.5
109.02882	5.7
111.04449	12.9
119.04972	3.0
121.02885	12.1
123.04422	6.3
129.05493	9.0
129.06979	3.3
130.42242	3.0
131.04955	6.0
135.04405	9.4
139.03889	9.2
145.06526	7.0
147.04419	6.1
149.05989	7.2
151.03912	9.3
153.05533	3.3
154.04997	3.5
157.06609	3.7
159.04427	16.1
160.07574	3.4
161.05977	5.3
163.03923	34.7
167.03412	4.1
169.06696	3.8
171.04451	3.8
173.06009	11.7
175.03925	25.0
177.05496	25.0
181.04979	52.2
185.06030	3.1
187.03947	34.3
187.07596	5.3
189.05464	13.8
191.07050	7.1
193.04982	54.6
195.06430	4.6
196.68462	2.9
199.03978	4.7
201.05498	26.3
203.07050	4.3
205.04988	100.0
207.06567	9.8
213.05542	6.9
215.07100	13.7
217.04991	21.4
219.03044	3.8
219.06557	42.3
223.06017	41.9
225.05479	9.8
227.07005	8.8
229.04968	22.1
231.06532	23.8
232.69087	2.8
233.08073	6.4
235.06033	6.1
237.07611	4.6
241.04990	13.2
243.06598	19.3
245.04300	2.9
245.08087	5.2
247.03474	5.2
247.06032	79.7
249.07596	8.7
253.04985	8.2
255.06505	6.4
257.04568	3.3
257.08026	3.7
259.06049	41.6
261.07629	16.1
267.06659	7.0
271.06067	21.1
273.07623	21.0
277.07126	13.3
283.05981	3.1
285.07547	14.6
289.07095	39.9
291.08600	8.6
297.07495	5.4
303.08545	10.6
307.08243	18.0
309.09763	8.3
315.10718	10.6
321.09714	3.2
325.09195	41.2
327.11087	45.1
332.20746	2.9
333.12033	3.8
339.10901	56.8
345.11722	12.3
357.11853	12.8
363.10834	7.8
369.09711	3.7
375.12549	9.3
381.11862	54.4
387.10776	5.8
393.11853	50.3
394.86435	3.2
405.11752	21.8
411.12894	13.1
423.12820	35.4
441.13965	37.8
459.15027	46.7
477.15762	15.9
495.23996	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	495.1137
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
53.03941	0.2
55.05504	0.3
57.03416	0.2
58.06583	0.2
61.02912	0.2
64.14115	0.1
65.03940	0.2
67.05495	0.3
68.99785	0.4
69.03420	0.6
69.07082	0.2
69.91271	0.2
69.91608	0.6
69.99342	0.1
70.06569	0.3
71.04980	0.4
78.03468	0.2
79.05482	0.4
81.03413	0.4
81.07056	1.2
85.02900	1.5
85.06552	0.3
85.08117	0.2
91.05457	0.3
92.02614	0.3
93.03407	0.8
93.07039	0.9
95.04952	0.3
95.08590	0.2
97.02885	0.5
97.06512	0.2
105.07017	0.3
106.02922	0.9
107.04941	0.2
107.08578	0.7
109.02888	0.4
109.10127	0.2
115.05489	0.2
119.08676	0.2
121.02879	1.2
121.06505	0.3
122.03606	0.2
123.04422	0.4
123.11704	0.2
124.03963	1.8
125.04266	0.6
127.03923	0.7
131.08553	0.5
132.08861	0.2
135.08047	0.2
135.11696	0.6
137.02364	0.2
137.06004	0.3
142.02606	0.5
145.02695	0.2
145.04942	0.6
145.10147	0.2
147.04388	0.4
149.02396	0.3
149.09648	0.4
151.03900	1.3
151.05020	0.2
153.01915	0.3
153.12762	2.4
155.03319	0.4
160.07600	0.3
163.03880	0.4
163.06030	0.2
167.03372	0.2
167.07045	0.2
168.00571	0.9
169.01335	10.8
171.04469	0.2
175.03967	0.2
177.05463	0.3
181.01326	0.5
181.04950	0.2
182.02100	0.2
185.00827	0.1
186.01651	0.5
191.03351	0.2
199.03992	0.4
209.11810	0.3
210.12062	0.3
216.04266	0.2
217.04953	0.6
227.03380	0.2
233.04478	0.5
234.05165	0.4
235.02312	0.2
244.03745	1.3
245.04483	1.8
247.02513	0.7
251.31516	0.2
255.02815	0.1
261.03970	0.9
262.04712	1.3
267.38647	0.2
268.08279	0.7
269.08597	0.7
272.03152	0.5
273.03970	1.4
274.04626	0.2
276.02612	0.5
277.07239	0.2
287.05377	0.3
289.03357	1.2
290.04196	2.9
300.02667	0.4
301.03433	2.5
303.01584	0.2
304.05853	0.2
318.03723	11.5
333.06055	100.0
334.06439	0.9
495.11295	1.0
495.19101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1137
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
52.67592	0.3
53.96508	0.3
55.01888	0.3
57.03426	0.9
58.06590	0.9
61.02931	7.1
69.03438	1.9
69.07080	0.6
71.53587	0.4
73.02924	1.9
81.03426	1.1
81.07069	0.5
83.08657	0.3
85.02434	0.6
85.02911	7.1
86.03205	0.4
86.09730	0.6
87.00849	0.5
91.03970	3.5
91.05496	0.5
95.04963	0.4
97.02901	4.3
99.04440	0.4
105.01862	0.9
105.06986	0.3
107.08605	0.8
109.02882	1.1
109.10165	0.7
119.08579	0.4
120.08125	0.5
121.02860	0.5
121.10104	0.5
123.04475	0.7
123.11710	0.4
127.03934	2.1
133.10240	0.3
137.02411	1.4
137.09676	0.3
142.02571	0.3
145.04974	1.3
145.18710	0.3
146.03082	0.4
149.09708	0.4
150.03186	0.5
151.11201	0.3
153.12761	0.4
155.11504	0.3
163.03940	0.6
163.06041	0.3
167.03394	0.3
168.00569	1.1
169.01355	4.2
183.02910	0.9
184.08598	0.3
186.01619	0.7
216.04301	0.4
244.03653	1.7
245.04483	0.5
247.02631	0.3
247.05930	0.4
261.03955	0.5
272.03165	1.2
273.03940	1.2
277.07034	0.3
287.05432	0.4
289.03339	0.7
290.04269	1.0
300.02560	0.6
301.03458	5.7
315.05115	0.3
315.17926	0.3
317.02921	0.8
318.03717	24.5
333.06061	100.0
334.06378	1.1
495.14822	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	494.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73689	1.9
55.05523	9.3
56.53231	1.8
57.03428	4.7
63.41051	2.0
67.05503	19.1
69.07066	10.1
70.96977	4.5
76.44350	1.7
77.36687	2.3
79.05494	5.1
81.07053	22.2
83.08620	5.7
89.06017	2.6
91.05472	2.8
93.07044	8.5
95.08614	18.0
105.07045	4.4
107.08606	3.7
109.10133	6.3
113.00024	26.6
119.08575	3.2
121.10131	4.0
123.11665	2.4
133.10135	2.8
135.11707	3.6
156.96388	3.8
169.02650	20.5
187.03720	4.0
272.52988	2.0
311.78357	1.8
322.31024	6.9
337.27396	100.0
494.23438	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	495.114
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
57.03417	0.1
61.02886	0.1
65.03940	0.2
67.05496	0.1
68.99800	0.3
69.03416	0.3
69.07057	0.1
73.02913	0.1
81.03413	0.2
82.59981	0.1
85.02915	0.7
92.02628	0.2
93.03414	0.8
93.07055	0.1
95.08607	0.1
96.06918	0.1
97.02882	0.3
99.00811	0.1
106.06569	0.1
109.02869	0.1
109.06498	0.1
121.02876	1.3
122.03639	0.1
123.04404	0.4
124.05195	0.1
125.02369	0.1
127.00256	0.1
127.03896	0.2
131.04860	0.1
134.06038	0.7
135.04454	0.1
135.06371	0.3
137.02359	0.1
137.05972	0.2
142.02649	0.5
147.04410	0.2
149.02313	0.4
150.03177	0.2
151.03911	1.5
151.05106	0.1
153.01797	0.4
155.03421	0.4
161.06068	0.1
163.03920	0.3
163.32327	0.1
165.09114	0.2
166.99757	0.1
168.00562	1.5
169.01337	12.8
170.01993	0.1
171.04446	0.2
175.03923	0.4
177.05446	0.1
179.03433	0.1
181.01335	0.5
185.00867	0.2
186.01585	0.6
189.05435	0.1
191.03377	0.2
195.06622	0.1
199.03879	0.5
203.03491	0.1
206.05766	0.1
213.05360	0.1
216.04216	0.3
217.04962	0.5
219.02919	0.3
220.03752	0.1
222.71526	0.1
227.03432	0.2
231.06409	0.1
233.04407	0.5
234.05186	0.5
235.02443	0.2
235.05928	0.1
244.03719	1.3
245.04462	2.2
246.11305	0.1
247.02385	0.5
247.11617	0.2
255.02834	0.1
259.05914	0.1
261.03928	1.0
262.04742	1.8
271.86899	0.1
272.03250	0.5
273.00998	0.1
273.03958	2.1
276.02658	0.3
277.07086	0.4
287.05527	0.4
289.03479	1.5
290.04251	3.6
300.02612	0.6
301.00012	0.2
301.03455	3.0
302.04251	0.2
303.01367	0.2
304.05753	0.2
315.05267	0.1
315.15884	0.1
318.03735	13.3
319.04037	0.2
333.06064	100.0
334.06424	1.1
362.85718	0.1
495.11374	12.8
496.11758	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3248
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
50.71529	0.4
55.05513	2.0
56.05031	1.3
57.07063	0.5
58.06607	1.1
60.08171	18.0
67.05502	1.3
69.07081	3.5
69.94237	1.6
71.07386	5.6
79.05509	1.4
81.07053	1.5
83.08619	1.4
86.09714	53.3
93.07069	0.9
95.08627	1.4
97.10194	0.5
98.98466	3.4
103.18815	0.4
104.10754	100.0
105.07082	0.5
105.11063	0.4
107.08605	0.8
121.10162	0.6
125.00019	26.8
133.10056	0.5
163.01546	0.9
175.11191	0.4
184.07359	96.8
202.06259	0.5
215.73387	0.4
258.10999	1.3
311.25842	2.2
476.31436	9.6
494.32474	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
55.86837	0.2
56.05039	0.8
58.06636	0.7
59.07400	0.3
60.08170	6.3
60.81226	0.2
67.05511	0.7
69.07075	0.5
70.06582	0.5
70.63322	0.3
70.63644	0.3
71.07378	3.1
71.69434	0.2
72.08197	0.2
75.86572	0.2
79.05486	0.4
81.07059	0.8
83.08615	0.4
86.09713	28.4
88.07606	0.4
91.05486	0.3
93.07050	0.4
95.08611	0.4
97.10157	0.3
98.98483	2.4
102.09205	0.2
104.10754	2.7
107.08574	0.4
119.08642	0.2
121.10140	0.2
125.00015	19.1
137.05988	0.3
149.02361	0.9
184.07355	100.0
185.07552	0.3
193.04956	1.1
237.07564	0.8
282.37061	0.2
284.29504	0.6
311.25848	0.3
459.27429	0.2
476.31714	1.2
494.32785	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	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
53.04694	0.3
55.01865	1.2
55.05515	0.8
59.04991	0.6
61.02937	0.5
61.37085	0.4
67.05504	1.8
69.03423	1.3
69.07069	2.9
69.36459	2.6
71.05005	3.0
73.02906	0.6
76.95319	0.4
79.05489	0.6
81.03404	1.3
81.07071	3.1
83.04973	0.6
83.08625	0.9
85.02906	2.5
85.06068	0.6
85.06550	6.2
87.00838	0.9
91.05463	0.6
93.07051	5.7
95.08611	3.9
97.02895	0.8
97.06554	0.6
97.36950	0.4
99.04457	0.6
99.08096	3.7
105.01865	0.8
105.07031	1.7
107.08607	7.8
109.02878	0.7
109.10168	13.9
109.59074	0.4
111.08091	0.6
113.05988	1.2
119.08595	4.8
121.10172	1.7
123.11734	2.7
127.03909	1.1
127.11198	1.3
133.10139	2.8
135.11707	20.6
137.09648	1.0
139.11168	0.8
147.11699	0.9
149.13280	5.2
151.03926	5.3
151.05003	0.4
151.11201	0.4
151.14830	1.8
153.12767	12.8
159.02859	0.4
167.14339	1.8
169.05009	0.7
175.14862	8.5
193.15907	2.5
206.26559	0.4
211.16953	100.0
212.17216	0.7
247.09760	0.6
313.09161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
53.04694	0.3
55.01865	1.2
55.05515	0.8
59.04991	0.6
61.02937	0.5
61.37085	0.4
67.05504	1.8
69.03423	1.3
69.07069	2.9
69.36459	2.6
71.05005	3.0
73.02906	0.6
76.95319	0.4
79.05489	0.6
81.03404	1.3
81.07071	3.1
83.04973	0.6
83.08625	0.9
85.02906	2.5
85.06068	0.6
85.06550	6.2
87.00838	0.9
91.05463	0.6
93.07051	5.7
95.08611	3.9
97.02895	0.8
97.06554	0.6
97.36950	0.4
99.04457	0.6
99.08096	3.7
105.01865	0.8
105.07031	1.7
107.08607	7.8
109.02878	0.7
109.10168	13.9
109.59074	0.4
111.08091	0.6
113.05988	1.2
119.08595	4.8
121.10172	1.7
123.11734	2.7
127.03909	1.1
127.11198	1.3
133.10139	2.8
135.11707	20.6
137.09648	1.0
139.11168	0.8
147.11699	0.9
149.13280	5.2
151.03926	5.3
151.05003	0.4
151.11201	0.4
151.14830	1.8
153.12767	12.8
159.02859	0.4
167.14339	1.8
169.05009	0.7
175.14862	8.5
193.15907	2.5
206.26559	0.4
211.16953	100.0
212.17216	0.7
247.09760	0.6
313.09161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01868	3.5
55.02121	1.2
55.05509	2.2
56.93955	1.3
57.03434	4.3
59.37203	1.2
61.02932	1.6
67.05492	4.9
68.99826	1.4
69.03435	16.7
69.07062	3.9
70.95017	3.7
71.04996	3.9
79.05480	1.9
81.03435	10.0
81.07070	10.6
83.04935	1.4
83.08604	1.9
85.02911	41.3
85.06554	2.1
87.00843	19.8
91.05491	2.5
93.07041	4.2
95.08604	15.7
97.02891	15.6
97.06567	1.6
97.10130	1.5
97.28621	1.3
99.04466	6.7
99.08152	1.6
105.01871	24.3
105.05576	1.5
105.07027	5.4
107.08588	8.0
109.02892	13.9
109.06513	2.0
109.10159	27.1
111.08105	2.3
114.83404	1.3
119.08590	44.4
121.10148	12.0
123.08055	5.4
123.11736	6.6
127.03931	29.8
131.08719	1.4
133.10143	19.8
135.11694	12.8
137.09639	6.9
145.04973	9.4
147.02858	1.6
147.11690	2.1
149.13290	1.7
151.03783	1.3
151.11221	1.9
159.02936	5.0
165.16438	5.0
175.14841	43.2
175.16299	2.9
176.15329	1.8
193.15898	100.0
211.16980	16.6
213.03894	1.8
229.18015	25.3
231.05006	8.0
249.05939	1.9
441.21133	2.1
494.14798	2.0
503.79541	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.05516	16.4
57.07084	2.5
67.05508	17.9
69.03429	11.1
69.07053	8.9
70.06592	6.4
71.04992	8.4
71.52795	3.3
72.08154	5.5
73.02924	2.5
79.05486	10.8
81.03406	9.7
81.07062	28.8
83.04990	22.4
83.08656	3.6
84.08149	6.5
84.94787	2.3
85.02907	23.7
85.06556	4.6
86.09720	7.3
87.00832	9.8
91.05473	7.6
93.07057	22.1
95.05000	5.4
95.08620	48.4
97.02892	9.7
97.06531	4.4
99.04459	6.8
99.08101	24.5
105.01882	15.6
105.07047	13.4
107.08629	19.5
109.02882	10.5
109.06523	5.6
109.10159	27.2
111.08096	3.2
113.36217	2.4
116.07101	3.1
119.07809	3.5
119.08592	46.7
120.08094	4.5
121.06550	3.0
121.10181	16.2
123.08067	5.3
123.11700	9.5
124.03944	5.7
127.03934	15.6
128.07053	4.6
131.08597	4.2
133.10147	63.0
135.11699	23.3
137.09625	58.6
145.04982	5.7
147.11681	6.9
149.13258	3.4
151.03931	18.1
155.10683	6.3
173.13173	2.9
175.14844	73.2
191.14232	2.7
193.15897	100.0
196.00101	2.4
200.26701	2.5
211.13397	3.3
211.16943	13.5
223.87450	2.2
229.18001	3.6
231.04988	6.8
249.06003	4.8
440.29175	4.9
489.52197	2.5
494.20285	6.6
494.30527	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	494.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.3
57.03435	9.9
59.04995	1.9
67.05492	2.3
69.03095	2.1
69.03434	33.2
69.07072	2.1
70.06572	3.3
71.52045	1.8
72.08144	1.1
79.05510	7.9
81.03407	1.6
81.07041	2.8
84.04514	1.4
84.08155	11.8
85.02448	1.6
85.02911	23.8
86.09684	2.7
87.00840	1.7
87.04467	21.3
88.04028	1.3
91.04984	1.3
91.05503	1.5
93.07019	2.6
95.04945	2.0
95.08583	5.4
97.02297	2.5
97.02892	26.9
99.04433	2.2
105.01891	1.7
105.07023	4.8
106.05030	1.5
107.04951	16.7
107.08604	1.6
109.02858	2.3
109.10152	2.8
115.03938	34.9
116.07070	1.5
119.08552	7.2
123.11697	1.5
124.05219	20.5
127.03914	5.0
133.04028	2.2
133.04987	34.9
133.10141	4.8
135.11748	1.9
139.07533	2.2
142.26552	1.2
144.10274	1.9
145.02856	1.3
145.04982	2.8
147.04358	1.7
150.07611	2.3
151.03905	31.1
151.07507	1.9
175.14815	7.9
177.05365	1.7
183.06541	100.0
193.15927	7.0
213.48799	1.3
221.84305	1.2
229.17912	2.3
235.64134	1.2
239.12192	1.2
242.72321	1.4
259.08087	1.2
313.11801	3.5
315.13507	1.6
339.58716	1.2
373.13940	9.3
445.75760	1.4
494.19992	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	494.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
53.62192	0.1
55.01867	0.3
57.03434	0.5
61.02927	0.3
67.05508	0.3
69.03431	2.4
69.07064	0.3
69.54276	1.0
70.06586	0.3
71.04990	0.2
73.02915	0.5
79.05492	0.4
81.03423	1.8
81.07045	0.3
84.08122	0.3
85.02905	2.7
86.09695	0.3
87.00838	0.8
91.05470	0.3
93.07057	0.3
95.08611	0.3
97.02892	1.2
98.21553	0.2
99.04456	0.4
105.01868	0.3
105.07025	0.2
106.02893	0.2
107.08621	0.4
108.08102	0.3
109.02898	1.6
109.10143	0.3
116.07091	0.3
117.01815	0.2
120.08079	0.2
121.10198	0.2
123.04432	0.8
123.11707	0.2
124.04014	0.3
124.07584	0.4
127.03928	1.8
129.01794	0.2
133.10077	0.2
136.07623	0.2
136.42532	0.2
138.09140	0.2
145.04945	0.4
145.10114	0.3
147.04437	0.2
154.06468	0.3
158.07292	0.2
159.02881	0.3
172.07526	0.2
172.11212	0.4
173.09612	0.2
174.09282	0.2
182.06012	0.3
182.09702	0.2
183.08101	0.2
185.08406	0.4
186.09071	0.2
189.07809	0.9
190.08636	0.3
190.12415	0.2
199.06328	0.3
200.07089	0.5
200.10751	1.2
201.09117	0.4
202.08708	0.2
213.07849	0.3
214.08707	0.2
216.06487	0.2
217.07394	0.4
218.08176	1.3
218.11746	0.4
227.12715	0.2
228.10281	0.9
229.08559	0.3
230.08205	0.3
231.08856	1.0
244.09773	0.4
245.10478	0.6
246.11272	100.0
247.11629	1.0
288.12131	0.3
333.06204	0.2
408.16541	1.4
476.15228	0.3
494.16504	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01887	0.9
57.03422	0.7
59.28378	0.5
63.96811	0.4
67.05514	1.1
68.99824	0.5
69.03422	1.8
70.23654	1.8
73.02901	0.5
77.03949	0.8
79.05508	5.9
81.03426	2.6
81.07066	0.8
85.02912	3.5
87.00845	2.1
91.05493	1.5
95.04974	1.6
95.08607	0.7
97.02917	3.0
97.88042	0.5
103.03957	2.0
105.01889	0.9
105.04514	0.8
105.07054	0.5
107.04969	100.0
109.02879	3.0
115.05448	0.6
118.17970	0.4
121.06496	2.7
125.02388	0.7
125.09660	0.5
127.03949	1.9
128.06218	0.5
129.01985	0.4
131.04936	1.0
133.06488	0.8
135.04399	0.7
135.31563	0.5
143.08588	1.2
145.06528	0.7
147.04460	1.1
149.06012	2.9
153.07021	0.6
159.02875	0.8
161.06004	1.8
165.09204	1.1
169.06407	0.5
171.02956	0.7
173.06064	1.5
185.06071	0.5
187.07582	1.5
189.03932	3.0
191.07100	1.0
197.06056	1.8
203.07121	0.8
203.43939	0.5
213.03941	2.3
215.07054	5.9
217.94923	0.6
231.05109	0.9
233.08189	1.1
319.08176	0.8
320.60205	0.5
321.22665	0.6
398.18539	0.5
494.28391	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03159	0.2
53.03951	0.7
55.01870	0.6
55.05495	0.3
57.03447	0.3
58.06606	0.6
65.03949	2.1
67.05507	0.9
69.03435	2.1
70.06590	0.5
71.04988	0.8
71.53082	0.3
76.07639	0.4
79.05502	0.3
79.44742	0.2
81.03427	4.9
81.07066	0.4
85.02914	3.4
86.09699	0.2
89.03913	0.2
91.05492	0.6
93.03415	2.0
93.07056	0.6
94.07382	0.2
95.04971	0.4
95.08616	0.2
97.02912	2.8
98.97584	0.2
99.04461	0.8
105.07037	0.3
106.02914	0.4
107.08600	0.3
108.02100	0.9
109.02225	0.3
109.02891	3.1
109.10146	0.3
110.03661	0.5
111.04454	2.9
112.01606	0.2
117.03320	0.3
119.04941	0.6
119.08558	0.2
121.02869	0.4
121.06555	0.2
121.10162	0.6
121.48434	0.2
123.04473	0.2
123.11720	0.3
124.03983	1.2
125.05184	0.3
125.06020	3.9
127.03910	1.7
131.05014	0.2
133.10167	0.2
134.06017	0.4
135.04356	0.3
135.11723	0.3
136.01604	0.3
136.04771	0.2
141.05493	1.1
145.02919	0.3
145.04968	0.8
147.04420	2.4
151.03923	100.0
151.04973	5.2
151.67873	0.2
152.04239	0.8
152.45316	0.2
153.12790	0.3
163.03941	1.6
164.04283	0.6
169.04988	14.6
193.15881	0.2
211.06136	0.3
219.01804	0.2
224.46638	0.2
245.08128	0.3
253.07227	0.3
260.06677	0.2
268.08154	0.6
268.30115	0.2
291.05573	0.2
295.04852	0.5
295.08160	8.3
311.14978	0.4
313.09204	11.8
332.08435	0.4
495.18451	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01875	1.1
55.05515	3.0
57.07074	0.9
57.53329	0.6
65.03961	0.8
66.95444	0.7
67.05502	6.1
69.07072	6.8
69.26154	4.9
79.05499	4.9
81.03413	0.9
81.07055	11.8
83.08623	1.8
91.05502	3.3
93.07036	1.3
94.04188	0.8
95.08616	8.2
97.10184	2.0
103.05498	1.3
105.07037	1.2
107.04943	1.6
107.08589	1.2
107.26063	0.7
109.06511	0.7
109.10192	4.1
111.11711	1.1
115.05447	3.5
117.07023	3.0
119.08596	1.2
121.10172	1.0
122.03643	2.0
123.04403	1.0
123.11713	3.4
126.02127	0.6
128.06230	1.7
129.07011	5.8
131.04915	4.7
131.08527	1.6
133.06441	0.7
133.10092	0.7
135.04422	100.0
135.11722	0.9
137.05981	37.0
137.13248	4.8
141.06992	1.8
143.04924	2.0
143.08595	2.0
144.05725	0.9
145.06496	7.7
145.10191	0.8
147.04436	1.1
149.02361	7.8
149.05992	3.3
151.03944	2.8
151.07555	7.5
155.01013	1.4
155.08618	1.2
157.06532	4.0
157.07617	0.6
158.07350	1.1
159.04433	0.9
159.08029	4.0
160.05226	0.8
161.05943	3.8
162.08336	0.7
163.07573	4.2
165.05524	1.6
169.06493	1.2
171.08022	2.0
172.05229	1.0
173.05991	12.3
173.09610	1.4
174.06789	1.0
175.03906	1.3
175.07559	7.3
176.08125	0.7
177.05533	0.9
177.09108	8.5
179.08577	1.1
181.06552	1.1
185.06032	5.2
185.09599	1.2
186.06822	1.5
187.07555	9.4
188.08189	0.9
189.09116	7.2
191.07002	1.0
191.10696	2.2
195.08104	2.5
195.18634	0.6
197.09610	1.2
199.07573	4.3
200.08237	0.8
201.09119	8.2
203.07007	8.8
203.08672	0.9
203.10695	3.0
205.08478	0.7
205.12302	0.9
209.09615	1.9
213.09108	3.0
215.07043	2.5
215.10654	2.4
217.08606	5.5
217.12250	1.8
219.08136	0.9
219.10176	1.2
221.09537	1.1
225.09180	1.1
227.10724	2.1
229.08588	1.9
229.12273	1.7
231.08064	1.5
231.10205	2.2
232.08815	0.9
233.07899	1.4
233.09889	1.1
235.07613	1.5
235.09630	0.8
238.06291	2.3
239.10628	1.2
241.12222	1.6
243.08072	0.9
243.13814	1.1
245.09605	1.4
245.15334	2.5
246.06827	0.7
247.07494	1.1
251.10722	0.8
253.08575	3.3
253.12289	1.0
255.13855	1.7
257.15363	1.0
259.09680	2.2
259.16824	0.8
260.08325	0.9
261.09119	1.8
263.06973	1.4
263.10648	1.4
269.15305	0.8
271.07648	0.9
271.16925	4.7
273.09070	1.6
273.18689	3.7
275.07001	0.9
275.10687	1.4
277.05130	0.7
277.08521	1.4
278.09448	1.5
280.07336	1.6
281.08124	11.1
283.09982	0.7
288.07739	1.2
289.08707	2.0
290.09464	1.4
291.10345	1.7
293.08090	1.9
293.11465	0.7
297.18445	1.3
301.08646	1.5
303.10153	1.3
305.08154	1.0
305.11496	0.9
306.09003	0.7
307.09607	0.7
309.11078	1.1
311.20062	1.4
315.10010	0.9
318.08868	0.8
319.09900	1.5
321.11230	9.2
323.12836	2.1
323.20129	4.2
333.11267	6.2
335.12885	1.3
339.12277	1.3
339.28973	2.3
341.21097	0.7
351.12332	6.8
353.14139	1.5
353.21155	4.8
369.13348	2.9
385.60953	0.8
404.19800	8.6
405.20709	1.1
417.20706	1.1
445.23730	2.7
457.23703	7.2
461.20383	1.0
463.24808	3.9
475.24817	45.8
493.25696	22.8
493.32932	5.3
493.39255	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2591
Annotation	Macaflavanone G
Peak:m/z	Relative Intensity
53.21413	1.8
55.05511	3.4
60.52266	1.8
65.03944	1.9
67.05499	5.6
67.72481	1.7
69.07052	8.3
79.05490	7.0
81.07069	15.8
82.43823	1.6
83.08621	2.0
91.05482	3.2
93.07027	4.9
95.04932	2.6
95.08627	9.7
97.10204	2.0
103.05484	2.4
105.03368	2.0
105.07034	2.1
107.04939	2.0
107.08586	2.8
109.02854	2.0
109.10164	5.1
109.70914	1.8
115.05453	4.4
117.06993	3.3
119.08698	2.0
119.58968	1.6
121.10159	2.4
129.07019	3.1
131.04933	3.8
131.08574	3.5
135.04431	100.0
135.11703	3.6
137.05995	33.3
137.13284	4.0
143.04924	3.9
145.06493	3.3
149.02353	5.8
149.05989	3.9
151.03963	2.6
151.07564	11.3
157.06529	4.6
159.08018	2.1
161.05916	2.0
163.07558	3.8
165.05473	4.4
173.06035	9.7
175.04123	1.9
175.07562	7.9
177.09084	4.9
185.06021	4.3
187.07484	8.6
189.09036	8.4
193.12340	1.9
199.07614	2.5
201.09148	6.0
203.06990	6.3
203.10664	3.4
213.09229	2.0
215.07112	2.6
217.08586	2.6
227.10677	2.2
229.08627	2.5
269.15411	2.4
271.17038	4.1
281.08038	4.8
281.15582	2.0
289.08719	2.1
321.11148	5.9
333.11209	2.7
339.28827	3.2
351.12213	5.6
353.21069	4.5
445.23676	2.5
457.23648	5.4
463.24890	2.6
475.24884	21.0
493.26001	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2589
Annotation	Macaflavanone G
Peak:m/z	Relative Intensity
51.02362	1.0
51.48388	0.8
53.03939	1.8
54.99423	0.8
55.01859	1.3
55.05502	2.8
57.07066	1.3
65.03940	1.4
67.05523	5.7
67.55632	0.8
69.07076	10.4
69.48511	3.0
69.48939	3.2
70.60159	0.8
70.89917	0.7
79.05510	5.2
81.03397	1.2
81.07059	14.0
83.08602	3.3
85.21175	0.8
90.78357	0.8
91.05462	3.2
93.07037	2.8
94.04174	1.2
95.04990	1.8
95.08617	11.9
97.10154	1.5
103.05479	2.7
105.03398	1.7
105.07036	1.3
107.04945	1.1
107.08577	1.6
107.67000	0.9
109.10165	5.5
111.11716	1.4
115.05479	4.0
117.07023	3.0
119.08569	1.1
122.03629	1.9
123.11724	5.6
128.06221	2.0
129.07031	5.3
131.04948	5.2
131.08548	2.5
135.04427	100.0
137.05989	26.8
137.07068	1.2
137.13249	6.6
141.07008	1.3
143.04926	2.7
143.08534	2.3
144.05698	0.9
145.06487	5.5
149.02373	8.9
149.05952	2.5
151.03935	1.9
151.07568	7.4
155.08493	0.9
157.06496	3.5
159.08049	2.6
161.05966	3.7
163.03882	1.7
163.07547	3.7
164.17645	0.9
165.05559	4.1
165.06805	0.9
171.08052	1.8
173.06013	13.7
173.09616	1.6
175.03899	1.2
175.07590	7.5
177.05453	1.9
177.09145	4.8
179.08630	0.8
185.06026	5.5
185.07408	0.9
185.09581	1.2
186.06712	2.2
187.07536	10.2
188.08301	1.2
189.09113	5.7
191.10715	1.7
193.08530	1.1
195.07994	1.1
199.07533	3.1
201.05386	0.9
201.09132	7.0
203.07001	6.5
203.08640	1.2
203.10481	2.0
209.09621	1.9
211.07408	0.9
213.09152	2.7
215.06975	2.4
215.10680	2.6
217.08546	3.6
219.07962	1.3
223.07632	1.3
225.09042	1.6
227.10628	1.1
229.08499	1.8
229.12289	1.5
231.08134	1.7
231.10144	1.2
233.08014	2.3
235.07642	1.6
238.06277	1.9
239.10626	1.4
241.12337	1.4
245.09593	1.3
245.15561	1.1
248.08421	1.3
253.08742	1.4
255.13809	1.7
261.09042	3.3
263.07300	0.8
263.10596	2.0
265.08563	1.0
271.16953	2.3
273.09085	2.1
273.18478	4.4
275.07141	1.8
275.10699	2.1
277.08801	1.3
281.08078	9.5
288.07709	1.4
289.08612	3.9
290.09509	1.3
291.10217	2.4
293.08139	2.0
295.09573	1.0
297.18552	1.1
301.08600	1.9
303.09808	1.8
305.11661	1.3
306.08600	1.1
307.09610	1.6
318.08881	1.3
319.09601	2.1
320.10202	1.1
321.11267	9.1
323.12790	1.6
323.20020	3.4
333.11124	5.1
335.12872	1.2
339.11978	1.1
339.28946	2.0
351.12299	8.0
353.14157	1.6
353.21106	5.0
361.14044	1.2
369.13138	2.8
404.19882	10.5
405.20444	1.3
417.20682	1.7
445.23737	3.5
457.23770	6.4
463.24643	2.2
475.24802	38.6
476.25037	1.2
493.25867	24.3
493.39114	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.259
Annotation	Arugosin G
Peak:m/z	Relative Intensity
53.03943	1.1
55.05510	1.0
57.07077	1.0
59.04991	0.9
65.03947	0.9
67.05527	1.7
69.07074	13.0
69.18209	6.2
69.18609	1.1
71.08611	1.0
76.44099	0.7
77.03940	0.9
79.05493	4.1
81.03409	1.1
81.07053	4.6
83.64949	0.7
91.05476	2.3
93.07062	0.8
94.04210	1.5
95.04988	1.3
95.08604	2.4
103.05455	2.4
105.07033	1.7
107.04966	1.4
107.08568	0.9
115.05451	3.9
117.07038	3.8
119.08583	1.2
122.03659	5.7
123.04476	0.7
128.06224	1.6
129.07008	5.4
131.04933	5.0
131.08582	1.8
133.06438	1.0
135.04427	67.8
136.05222	1.0
137.05991	100.0
137.13220	0.8
141.06963	1.5
143.04935	10.8
143.08582	2.4
144.05695	0.8
145.06487	5.2
145.10153	2.1
147.04459	1.4
147.08057	1.8
149.02345	3.9
149.06004	2.6
151.03925	19.2
151.05032	1.7
151.07579	3.2
155.08455	1.0
157.06468	5.2
157.10170	1.1
159.04427	1.1
159.08080	2.1
159.11707	0.8
161.06021	4.7
163.03957	1.4
163.07596	3.9
165.05510	1.0
167.08641	0.8
170.07318	0.8
170.65535	0.9
171.08093	1.7
171.11722	1.4
173.06006	7.9
173.09665	3.6
174.06754	1.3
175.04042	0.8
175.07562	11.3
176.08315	0.9
177.05486	1.1
177.09125	1.9
179.08557	0.9
181.06538	1.2
183.08061	2.1
185.06001	2.1
185.09674	2.0
186.06862	1.3
187.07553	9.9
187.11179	0.9
189.05513	1.0
189.09135	4.8
190.09784	0.9
191.07069	2.9
191.10683	2.8
195.08089	1.1
197.09657	1.2
199.07620	2.9
199.11267	1.8
201.05568	0.8
201.09093	6.5
203.07037	7.3
203.08643	0.9
203.10704	4.3
205.08621	5.2
205.12279	6.8
209.09615	1.1
213.09116	1.8
215.07112	1.5
215.10719	4.2
217.08607	2.5
217.12221	4.0
217.14095	0.8
219.10297	1.2
219.13727	1.2
223.11121	1.3
225.09151	1.1
227.10696	1.9
229.08725	1.1
229.12262	2.8
231.13745	6.3
233.11836	1.8
238.06314	0.9
239.10661	1.1
241.12286	2.1
245.15379	4.8
253.08778	1.3
255.13881	1.2
257.15421	2.1
259.13577	1.2
259.16925	1.0
260.08505	0.9
261.09070	1.1
267.13611	0.8
269.15683	1.0
271.16965	1.9
273.09152	1.3
273.15588	0.9
273.18515	5.9
275.07315	0.8
275.10690	0.8
277.08774	0.8
281.08148	3.3
285.14929	1.1
289.08688	1.1
289.18112	1.7
293.08112	1.6
293.11581	0.8
299.20377	1.0
305.08044	1.1
315.19385	0.9
318.09061	1.1
319.09735	1.0
321.11252	2.9
323.12878	0.9
323.20215	1.3
327.12317	10.2
333.11304	2.5
345.11029	0.9
351.12384	2.4
353.21194	2.3
356.12643	1.1
357.13336	8.3
361.14471	0.9
369.13702	1.1
379.15475	1.9
387.46793	0.7
389.17593	1.8
395.18600	6.4
401.17770	0.9
404.19888	2.2
405.20648	1.9
406.17621	1.2
407.18668	2.3
417.20767	1.7
419.18546	3.4
424.18820	3.0
425.19626	32.1
435.21646	4.4
437.19687	1.8
445.23203	0.9
457.23969	2.7
463.24811	2.0
475.24817	23.6
493.25775	16.7
493.30951	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.4
51.30658	1.3
53.03934	2.2
57.17710	0.9
62.66551	1.0
66.41692	1.0
67.05500	2.3
69.07075	15.6
69.20975	6.4
69.21381	2.5
79.05517	5.2
81.07064	4.0
88.25124	1.0
91.05491	3.1
92.84202	0.9
93.07068	1.2
94.04155	1.4
95.04977	1.5
95.08624	2.6
103.05464	4.8
105.03430	1.4
105.04511	1.2
105.07043	2.4
107.04979	2.0
115.05465	4.4
117.06999	4.4
121.06467	2.6
122.03669	5.5
128.06244	2.9
129.07040	5.6
131.04947	10.5
131.08609	2.0
133.06523	1.4
135.04431	100.0
137.05991	91.4
141.06985	1.8
143.04918	11.4
143.08540	2.9
144.08075	1.6
145.06491	7.1
145.10101	3.4
147.08018	2.4
149.02373	5.4
149.05971	2.5
151.03923	21.8
151.05035	2.8
151.07544	2.7
153.06989	1.6
157.06528	6.1
157.10133	1.8
158.07253	1.1
159.04367	1.2
159.08095	2.4
160.05151	1.4
161.05986	5.8
163.07578	6.1
171.08073	2.2
171.11711	1.9
173.06004	12.7
173.09657	5.5
175.07559	15.8
176.08316	2.4
177.05504	1.4
177.09111	2.7
179.08595	1.2
183.08066	2.1
184.08972	1.6
185.05945	4.7
185.09625	2.1
187.07581	14.1
187.11266	1.6
188.08328	2.4
189.09129	8.4
191.07042	4.6
191.10675	5.0
195.08034	1.9
197.09763	1.7
199.07590	2.1
199.11201	3.0
200.08311	1.3
201.09079	6.4
203.07021	9.7
203.08629	1.2
203.10695	4.3
205.08669	3.8
205.12190	9.4
209.09625	1.1
211.11090	1.2
213.09105	2.1
215.07082	1.2
215.10614	5.8
217.08748	1.7
217.12265	5.0
219.13795	1.5
227.10786	1.1
229.12311	3.0
231.13818	9.0
233.11761	3.5
241.12361	1.9
243.13866	1.3
245.15440	8.7
255.13786	1.5
255.91428	1.0
259.17056	2.1
261.09274	1.2
263.06976	1.3
267.13824	1.8
271.16968	1.9
273.18463	6.3
277.08643	1.1
281.08069	3.4
287.16458	1.4
289.08597	1.8
289.18082	7.1
297.18570	1.6
321.11127	3.7
323.20074	1.5
327.12341	7.6
333.11337	2.9
339.12308	1.7
343.22958	1.2
351.12265	1.9
353.21112	1.6
357.13364	6.7
379.15192	1.6
389.17444	2.7
395.18555	6.9
407.18396	1.5
411.05283	2.0
419.18530	3.0
424.19009	1.7
425.19611	32.9
435.21600	1.9
437.19458	2.0
445.23993	1.7
457.23645	2.8
463.24707	1.7
475.24875	21.7
493.19144	2.0
493.25903	28.1
493.37042	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.8
57.03440	2.0
61.02920	4.5
67.01911	2.4
69.03430	7.5
70.78262	1.6
71.06672	3.8
75.78671	1.8
81.03430	3.2
85.02917	26.5
96.03145	2.0
97.02900	7.1
103.03943	5.1
109.02870	9.5
119.04933	2.5
123.04453	7.9
127.03921	5.7
137.05971	3.5
139.03979	2.5
147.04469	10.5
147.05516	1.9
151.03905	26.3
153.01848	2.2
157.06476	2.1
161.05891	2.6
163.03914	13.5
165.05478	16.0
169.04982	33.6
175.03946	10.1
179.07118	3.6
181.04964	53.3
187.03987	4.3
189.01804	2.5
189.05449	8.2
193.04979	100.0
195.81102	1.8
205.04959	11.6
207.06543	31.0
211.06026	96.3
213.05524	2.7
217.04953	5.7
219.06569	4.4
229.04987	12.7
231.06592	4.6
233.04471	2.3
235.06033	87.9
241.04994	7.8
247.06033	62.8
259.06042	38.2
265.07068	19.3
277.07135	31.9
289.07205	2.7
295.08139	30.8
313.09232	26.3
331.10266	8.8
379.10269	2.0
450.66870	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	493.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01871	4.5
55.05503	3.9
57.03423	5.9
57.07076	2.7
58.06597	1.7
59.05007	9.1
61.02934	8.2
67.00948	1.3
67.05499	5.9
69.03437	23.3
69.07060	3.0
70.06578	2.5
71.04999	16.9
71.53516	3.6
73.02898	2.6
79.05504	13.2
81.03425	8.0
81.07066	39.5
83.04968	1.5
85.02914	100.0
87.04488	2.1
91.03961	2.7
91.05497	8.4
93.07047	12.6
95.04964	6.4
95.08601	3.7
96.66086	1.6
97.02908	26.6
97.06535	2.0
99.04452	5.4
105.07059	7.8
107.08607	14.7
109.02872	11.1
109.06541	13.0
109.10171	19.1
111.08081	5.4
121.10158	1.7
123.08099	2.7
123.11720	37.1
124.03967	3.0
127.03943	25.2
131.08569	6.8
133.10146	14.6
135.11707	1.7
137.05989	1.9
145.03915	2.9
145.04979	39.1
145.10130	2.1
147.04411	1.6
149.09572	4.5
151.03908	4.9
151.11198	76.4
153.12692	1.8
163.03952	2.3
163.06001	11.7
169.12270	9.6
175.03859	7.0
181.05016	5.7
189.05602	2.2
191.10591	2.2
209.11790	8.0
227.08086	1.8
245.06487	2.8
245.09174	5.0
247.06007	1.5
259.05917	2.4
269.58456	1.4
270.09616	1.7
283.06085	2.0
286.09314	2.3
301.07242	1.9
313.13876	1.9
325.08905	1.7
331.08151	6.1
407.09454	1.9
407.14346	8.8
413.17914	2.2
449.15549	19.9
493.14502	79.2
494.14838	2.2
508.75696	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71479	2.2
55.01875	5.6
55.62167	2.5
57.03423	4.6
61.02937	3.2
68.99779	2.8
69.03432	5.6
70.74811	7.3
73.01186	2.5
79.09600	2.4
79.49718	2.6
81.03408	4.7
83.86236	2.1
85.02911	35.2
97.02908	10.7
103.03940	4.4
107.04899	2.6
109.02892	14.3
121.02894	7.5
123.04452	13.8
127.03916	7.8
139.03847	3.0
145.05043	2.8
147.04427	9.1
151.03912	30.5
151.11227	2.8
155.54950	2.3
161.06012	4.5
163.03903	16.8
165.05522	13.6
169.04984	99.7
175.03992	11.6
177.05446	3.9
181.04979	51.2
187.03925	7.5
189.05470	8.5
193.04968	100.0
201.05466	4.0
205.04921	13.8
207.06543	29.2
211.06038	88.2
213.05418	6.4
217.04956	7.3
219.06522	5.8
223.06012	7.6
229.05022	13.0
231.06526	7.3
233.04495	3.2
235.06032	88.8
236.06744	2.8
241.04919	9.1
247.06041	74.6
248.17839	2.6
259.05994	41.6
265.07135	17.0
277.07071	42.2
289.07153	10.4
295.08209	27.1
297.07693	2.8
301.07028	8.3
307.08279	3.1
313.09476	28.6
319.08261	4.2
325.09677	4.8
331.10223	9.1
343.07950	3.5
355.10699	3.6
373.09970	2.8
385.08929	3.1
391.10132	5.3
439.12387	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	493.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.6
56.54124	1.8
57.03435	6.4
57.68775	2.3
61.02916	3.4
68.99791	12.4
69.03432	14.4
70.03738	2.3
70.06604	14.4
70.28864	7.7
72.08155	6.2
77.59288	2.0
79.05486	2.6
81.03432	3.9
84.04488	3.9
84.08145	8.0
85.02917	26.3
86.09705	4.6
87.04474	5.8
93.03407	3.1
93.07035	2.4
97.02899	12.4
98.21465	2.3
101.02375	7.0
103.05466	17.3
104.05803	6.8
105.03402	2.7
105.06999	2.0
106.00286	2.3
107.04978	3.2
109.02899	7.7
112.07576	3.2
115.03936	8.9
116.04270	3.6
116.07056	2.5
119.04964	2.6
121.02894	8.4
123.04450	5.9
127.03930	3.3
129.06993	2.8
129.10254	2.4
131.04942	55.7
132.05292	32.2
133.04987	8.6
134.05370	3.6
135.04439	6.0
137.06021	2.6
139.03854	3.2
140.07060	2.8
145.02879	2.5
145.04906	2.8
145.06514	2.7
147.04431	5.8
151.03923	4.9
155.04955	2.4
157.06474	3.9
159.04474	2.7
161.06026	5.2
163.03932	9.5
163.07559	22.9
164.07898	19.2
165.05420	2.4
171.04434	7.6
173.06001	14.1
175.03935	16.0
177.05530	10.5
181.04886	12.9
183.04344	2.3
185.06013	11.0
187.03998	10.9
187.07542	2.4
189.05536	10.3
191.03398	3.7
192.10243	2.9
193.05002	22.7
197.06053	3.7
199.03889	4.0
199.07643	2.2
201.05496	17.4
203.03410	6.0
203.07100	6.5
205.04968	23.9
211.05986	5.7
213.05510	20.4
216.04100	2.5
217.04991	25.0
219.02892	8.1
219.06511	12.5
221.04460	9.6
223.06081	19.9
225.05464	3.7
227.07050	4.1
229.04933	10.8
231.06538	17.4
235.06015	26.4
237.05592	4.0
241.04965	10.6
243.06635	11.0
244.03705	3.5
245.08134	5.6
247.06042	43.6
249.07684	5.4
253.04877	5.2
253.07254	3.7
255.06517	8.5
259.06055	100.0
261.07693	2.2
267.06537	3.9
269.04391	2.0
271.06064	20.3
273.07556	8.3
277.07077	30.9
279.06476	4.6
283.06015	10.9
285.07547	7.3
287.05585	2.3
289.07120	46.5
297.07590	7.1
299.05566	4.1
301.07104	77.7
307.08313	15.7
309.07538	3.2
313.06870	27.4
319.08209	14.4
325.09830	35.3
331.08002	3.5
337.09485	15.9
343.08139	27.6
355.10175	15.4
361.09314	16.0
365.05612	3.2
367.08112	5.9
373.09195	14.2
379.10248	20.5
385.09079	7.4
391.10205	25.5
403.10358	15.2
409.11191	3.0
421.11493	15.7
439.12299	16.1
457.13513	6.3
493.22906	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	493.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85635	2.3
52.82519	2.3
55.01881	5.7
57.03441	3.7
59.73049	2.3
61.02925	2.7
67.01868	2.7
68.99795	3.5
69.03436	8.8
70.06602	19.1
71.51952	2.8
72.08155	5.3
81.03420	7.6
83.04974	2.8
84.04513	3.1
84.08144	8.4
85.02916	39.0
90.17641	2.5
91.05480	5.2
93.07052	2.7
97.02905	15.5
97.06554	2.8
103.03912	3.2
109.02876	9.4
110.07177	16.6
121.02852	8.3
123.04430	9.6
127.03915	9.5
129.10214	4.5
130.08640	3.1
131.04893	3.0
135.04404	2.6
137.05942	4.1
139.03885	5.3
141.10234	2.6
147.04445	17.1
147.47922	2.7
148.04849	2.4
151.03923	32.5
154.20242	2.7
161.05991	5.5
163.03934	21.0
165.05469	16.2
169.04984	32.3
173.05952	5.1
175.03932	14.1
178.13379	4.9
181.04977	52.3
187.03920	5.7
189.05469	9.0
193.04985	100.0
201.05640	3.9
205.04912	9.5
207.06522	25.5
211.06030	90.3
213.05377	5.9
217.04930	3.6
223.15576	6.8
228.97955	2.6
229.04997	8.4
231.06696	6.6
233.04462	3.2
234.99028	3.0
235.06032	86.8
241.05016	5.1
247.06044	58.9
251.15065	3.8
259.01797	2.5
259.06067	58.5
265.07077	14.2
277.07095	35.0
295.08173	30.5
301.07080	14.5
313.09201	31.4
331.10202	7.2
355.04727	10.1
493.22339	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	493.1346
Annotation	Betuletol 3-galactoside
Peak:m/z	Relative Intensity
53.03935	0.7
55.01865	0.7
55.05502	0.5
57.03434	0.7
58.06593	0.4
61.02934	0.9
63.88381	0.3
67.05497	0.9
69.03431	2.3
69.07063	0.7
70.06586	0.4
71.04982	0.5
71.37180	0.7
73.02895	0.4
75.71950	0.4
79.05488	0.7
81.03414	1.7
81.07067	1.3
82.65166	0.4
83.08617	0.5
84.08138	0.4
85.02429	0.7
85.02910	7.2
86.09718	0.5
87.04458	0.5
91.05497	1.0
93.07043	0.9
95.08603	0.6
97.02898	2.3
99.04453	0.6
100.11243	0.7
104.75379	0.4
105.03377	0.5
105.07042	0.8
107.08588	0.8
109.02876	0.9
109.10159	1.0
109.77589	0.4
111.04436	0.7
112.01627	0.4
112.07648	0.5
119.04986	0.6
119.08622	0.5
121.06498	1.4
121.10136	0.6
123.04413	0.7
123.11683	0.4
125.09669	0.4
127.03910	1.4
129.07074	0.4
131.04866	0.3
133.06465	0.5
135.04433	1.3
135.11667	0.5
137.06021	0.9
145.04977	1.0
146.03674	0.6
147.04483	0.8
148.05252	0.9
154.12286	0.5
163.03897	0.8
165.09126	2.1
166.09442	0.8
167.07053	0.4
168.00499	0.6
168.13809	0.4
169.01308	0.9
182.11841	0.6
191.03444	2.2
196.13364	0.8
207.06580	0.6
210.14955	0.6
210.92700	0.4
217.04892	0.4
229.04877	0.6
242.05804	0.8
245.04480	0.7
257.04492	2.6
273.03995	0.7
285.03943	7.6
287.05460	0.6
288.06305	0.5
301.03317	0.5
313.14438	1.1
315.04993	3.3
316.05792	43.7
317.06335	0.5
322.32236	0.4
331.08136	100.0
332.08411	1.1
348.56818	0.4
361.09125	0.6
408.29022	0.4
416.14609	0.8
434.15555	0.8
493.37500	1.3
494.17633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94101	15.1
55.05487	14.6
57.07057	14.2
65.43829	12.3
67.05513	67.7
68.05814	16.5
69.07067	53.6
71.05010	24.9
71.53262	17.5
74.15176	13.1
79.05484	34.3
81.07050	93.3
83.08611	23.9
86.39722	13.6
91.05486	24.0
93.07059	58.3
95.08624	89.1
104.84047	12.8
105.07013	23.9
107.08608	77.4
109.10162	100.0
119.08608	40.1
121.10127	40.6
123.11722	29.1
127.11250	19.8
133.10144	33.2
135.11729	64.0
137.05992	39.1
137.13269	18.1
147.11664	13.4
149.13249	44.8
153.12732	18.9
160.62413	11.3
161.13257	20.4
163.14798	17.2
175.14769	14.5
177.16249	20.2
189.16440	19.2
191.17989	34.1
275.75320	15.0
458.34375	12.6
492.37558	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	492.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79802	1.9
52.84055	1.7
53.55502	1.5
55.05503	3.2
57.07082	36.9
58.07408	6.5
64.79446	1.9
69.07072	3.4
69.23998	18.5
71.08643	29.3
72.08971	5.2
73.06566	4.3
78.57609	1.7
83.08612	3.4
85.10191	18.6
86.10528	3.7
87.04432	2.6
89.06038	100.0
90.06377	15.3
97.10188	6.2
98.21615	2.0
99.11763	4.0
107.06999	1.8
107.92754	2.0
111.11703	2.1
114.13731	1.9
130.08629	4.1
133.08614	43.5
134.08951	11.5
148.24321	1.8
151.09657	3.9
154.10939	1.7
177.11232	8.0
195.12273	7.2
216.02016	1.9
239.14783	9.0
240.15285	3.9
274.38266	1.8
402.62308	1.8
447.40341	11.9
448.40399	2.0
466.66171	1.8
492.43555	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	492.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	22.8
57.07084	7.4
67.05510	45.4
67.70473	4.3
68.13521	4.6
69.07067	35.8
71.04998	10.0
73.06541	5.0
79.05503	53.1
81.07071	92.3
83.05000	5.8
83.08614	13.6
91.05485	46.6
93.07056	72.2
95.04947	9.4
95.08614	81.5
99.08097	5.7
101.64418	4.9
105.04490	5.3
105.07049	62.7
107.08610	100.0
109.06512	9.8
109.10166	62.7
117.07039	6.6
119.08593	58.4
121.10160	39.8
123.11724	20.3
125.09641	10.4
127.11194	9.5
131.08588	19.0
133.10143	54.6
135.11710	58.1
137.13284	9.6
142.07808	5.7
143.08536	5.5
145.10162	22.4
147.11734	29.1
148.98862	4.6
149.13290	10.9
153.12712	10.1
157.10117	6.3
159.11745	19.7
161.13307	11.3
171.11720	8.0
173.13339	12.3
175.14890	13.3
177.16377	6.4
185.13206	6.5
187.14821	11.5
189.16367	7.7
197.13101	5.2
199.14812	4.5
213.16344	6.3
215.18011	8.2
367.24875	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	492.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.1
59.04995	14.5
67.05492	40.4
68.75360	8.1
69.07059	24.2
71.05000	31.3
71.53074	13.3
76.92171	9.6
79.05488	26.9
81.07053	77.7
83.08615	10.9
85.06539	12.4
85.81870	7.8
91.05485	43.5
93.07080	63.8
94.07465	8.4
95.08633	55.8
95.13792	9.3
97.31425	9.0
99.08097	9.8
104.04120	9.3
105.07040	72.8
107.08607	94.3
109.10175	61.4
113.09625	9.8
113.37634	9.6
113.53371	8.4
117.07069	9.6
119.08584	56.7
121.10175	54.9
123.11738	28.2
124.93760	9.7
125.09644	31.7
127.11185	28.5
129.06967	9.5
131.08582	17.3
133.10167	46.9
135.11691	34.5
139.95099	9.0
143.08566	11.9
143.10690	60.0
145.10100	49.4
147.11685	45.3
156.96449	11.5
157.10144	26.2
159.11700	38.5
161.13258	15.5
171.11700	18.8
173.13258	16.2
175.14905	25.3
185.13327	12.7
187.14828	15.0
189.16393	20.4
197.13228	10.9
203.17908	14.3
205.15614	11.7
213.16418	21.8
281.22537	13.4
353.28183	12.6
358.19836	15.9
385.80127	10.1
439.35727	14.2
492.30447	100.0
493.23010	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	492.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.5
55.01885	3.5
55.05510	38.2
57.07068	14.0
58.81368	3.2
59.05008	8.5
65.03936	5.2
67.05511	53.2
69.07078	37.7
69.29996	29.2
71.05012	23.4
71.08611	4.0
71.10437	3.7
71.60400	3.8
73.06550	5.5
74.25382	3.8
77.38268	3.1
78.26171	3.2
79.05508	33.0
80.43822	3.2
81.07062	94.1
83.04962	7.1
83.08620	23.6
85.06569	17.8
91.05482	34.2
93.07053	84.1
95.04971	5.4
95.08611	79.7
97.06538	9.3
97.10178	15.5
99.08102	9.4
105.04497	4.2
105.07039	62.5
107.08604	100.0
107.09309	7.1
109.06496	8.5
109.10162	70.8
111.08091	6.2
111.11693	3.6
117.07043	13.0
119.07832	4.5
119.08605	50.7
121.10149	50.1
123.08085	3.5
123.11708	23.9
125.09647	46.7
127.11176	14.8
131.08560	14.7
133.10135	40.8
135.11702	46.3
137.09625	4.3
137.13258	9.4
142.07747	3.6
143.08551	5.9
143.10684	29.1
143.11626	4.6
145.10173	32.5
147.11685	29.7
149.13274	17.1
153.12759	11.8
153.14110	3.2
157.10153	8.9
159.10167	10.3
159.11723	29.2
161.13258	24.4
163.14818	6.1
171.11711	8.2
173.11920	3.4
173.13307	16.6
175.14861	18.3
177.16409	4.6
185.11752	4.8
185.13248	9.3
187.14821	11.5
189.16431	13.0
191.18011	13.4
193.15866	5.5
197.13257	4.2
199.14838	4.5
201.16412	8.9
203.17905	5.9
207.17354	5.2
213.16420	11.6
215.17921	13.8
229.19586	4.3
257.22836	6.7
273.22604	4.1
423.09180	4.2
465.93417	4.6
492.37311	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	492.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	25.0
57.07061	24.2
59.04998	48.6
61.00864	5.5
67.05509	35.6
69.03426	7.5
69.07066	22.0
71.04993	48.7
71.10054	13.3
73.06564	7.6
74.03946	6.0
78.93954	5.6
79.05493	15.7
81.07065	52.8
83.04967	13.5
83.08611	21.5
85.06552	27.1
86.09713	8.4
91.05486	24.8
93.07047	45.4
95.04967	16.7
95.08603	43.7
97.06528	8.4
97.10155	19.6
105.07019	20.6
107.08601	100.0
109.10183	40.6
119.08559	19.9
121.06549	6.8
121.10139	26.8
123.11704	12.4
125.08799	7.2
125.09644	89.9
133.10135	12.7
135.11676	29.4
137.09584	10.4
143.10686	80.0
145.10112	16.4
147.11711	15.7
159.11725	12.1
161.13235	13.3
170.36174	5.9
171.11674	6.9
187.14789	9.6
191.17834	7.7
201.21873	5.6
208.43669	5.8
221.21123	5.6
251.04637	23.8
261.48682	6.1
307.10941	11.0
363.17267	8.4
408.19650	5.8
419.23541	15.7
492.37143	14.8
492.43390	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	11.0
57.03435	6.2
57.07073	5.3
58.06598	6.0
67.05521	41.6
69.07078	19.9
70.06602	9.1
71.52600	8.9
79.05503	21.8
81.03387	5.1
81.07072	39.3
83.08636	8.3
91.05486	7.6
93.07065	34.9
94.41063	4.6
95.08597	27.9
98.06061	6.7
105.07073	11.4
107.08614	25.3
109.10189	16.0
113.00032	100.0
116.07104	16.0
119.08621	11.8
121.10170	16.9
131.08549	6.3
133.10172	8.1
135.04463	34.0
135.11728	11.2
136.04773	14.8
137.06012	12.5
138.06316	5.9
145.10219	9.2
147.11726	12.0
147.36089	4.8
149.13255	5.6
163.03983	6.0
169.02637	88.7
175.77621	5.1
187.03708	16.6
187.14584	5.4
189.47531	5.0
207.06673	6.1
219.17488	7.5
243.21165	9.9
261.22025	24.5
283.95673	5.6
292.97284	4.4
320.29553	69.0
326.11133	6.2
335.25790	85.3
356.12161	11.4
429.24329	6.0
492.37106	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	14.3
55.05500	21.1
59.04984	12.3
59.91923	7.1
60.12636	7.2
67.05516	43.7
69.07071	39.8
69.07385	6.9
69.70358	21.6
69.70743	14.3
71.04993	18.7
72.04524	11.9
79.05499	45.2
81.07063	92.6
83.08628	16.2
88.02232	47.0
91.05501	37.5
93.07049	100.0
94.23666	7.3
95.04979	22.7
95.08618	67.0
105.07047	74.0
107.08602	86.9
109.06542	17.3
109.10168	81.1
119.08578	60.0
121.10162	44.8
123.08028	8.6
123.11684	21.8
125.09586	13.5
127.11206	22.7
129.06975	9.9
131.08604	15.0
133.10126	43.6
135.11687	72.9
137.09641	31.2
145.10153	27.8
147.11720	26.6
149.13232	11.4
153.12723	17.6
155.10716	11.8
159.11717	25.7
161.13232	16.0
166.18155	7.5
173.13295	13.0
175.14877	12.2
177.12691	8.0
189.16389	9.5
201.16568	8.8
210.48401	7.8
213.16327	10.6
215.17946	8.0
253.47562	7.5
257.22684	11.2
321.70920	7.4
328.13513	8.4
385.54578	7.8
395.14587	6.8
432.25229	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	492.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77243	0.5
53.03963	0.6
55.01873	0.7
55.05272	0.7
55.05518	9.7
56.14418	0.5
56.78231	0.5
57.03446	5.5
57.07077	1.4
58.06605	17.6
65.03946	0.9
67.05513	20.1
69.06729	1.0
69.07076	11.7
71.08626	0.6
71.51929	0.5
79.05502	5.8
81.06592	1.1
81.07065	20.1
83.04981	0.7
83.08625	6.5
84.65214	0.5
85.06564	0.8
91.05491	4.6
93.07053	7.3
95.08617	15.7
97.06512	1.2
97.10188	3.1
99.08105	0.9
105.07047	2.7
107.08599	2.9
109.10168	6.1
109.33374	0.5
111.08138	0.5
119.08600	2.5
121.10154	2.4
123.11700	2.1
124.96784	0.5
133.10126	1.8
135.04404	1.5
135.11693	1.1
136.04758	0.8
137.13313	0.7
147.11697	0.9
156.04218	3.6
161.13217	1.0
337.27399	100.0
338.27783	1.2
433.14697	0.6
492.32346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	6.5
57.03451	6.2
57.70387	1.2
67.05183	1.4
67.05514	22.5
69.07072	7.1
69.40257	6.9
71.04986	1.3
72.54387	1.0
79.05494	13.8
79.57756	1.0
81.07069	24.4
83.08626	2.4
84.60506	1.0
91.05484	7.9
93.07053	12.2
95.04949	1.6
95.08050	1.8
95.08614	18.1
97.10182	1.9
105.07056	5.9
107.08604	8.9
109.10171	9.3
113.00031	24.4
117.07017	1.5
119.08585	6.7
121.10159	7.6
123.11705	1.7
131.08589	2.9
133.10129	5.5
135.11688	3.3
137.13264	1.6
143.10660	1.6
145.02867	4.1
145.10153	4.6
147.11676	3.1
149.13223	1.8
157.10121	1.2
159.11748	3.1
161.13248	2.0
163.14828	1.3
169.02600	9.6
170.35999	1.1
173.13318	1.2
175.14928	1.4
176.20305	1.1
177.05492	9.1
187.03717	4.0
187.14818	2.0
197.01233	2.2
243.20956	1.2
261.22189	4.1
285.37662	1.4
317.24866	1.6
320.29373	7.6
335.25827	100.0
336.26343	1.3
356.14786	2.6
492.21829	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
53.23745	1.3
55.01870	6.2
55.05508	5.4
57.03429	4.1
58.56968	1.2
59.05009	1.5
61.01133	2.5
61.02935	3.4
67.05510	8.8
69.03080	2.1
69.03434	25.3
69.06801	1.2
69.07079	13.4
69.32460	9.2
70.06598	29.1
70.88136	1.2
71.04999	6.4
72.08152	2.1
73.02906	2.7
73.32108	1.2
79.05520	7.1
79.05901	1.4
81.03420	12.2
81.07063	9.7
82.06580	3.8
83.04994	11.0
83.08633	2.3
84.04499	2.8
84.08144	6.2
85.02910	58.1
86.09718	2.7
87.00840	29.4
91.05479	7.4
93.07036	10.0
94.06584	3.5
95.04970	5.6
95.08613	26.2
97.02895	22.5
97.06536	7.4
99.04458	8.9
99.08083	2.1
105.01871	62.1
105.07034	10.3
107.08604	52.0
108.04586	1.5
108.08131	2.5
109.02881	29.7
109.06527	6.3
109.10162	14.7
111.08083	4.3
113.09619	2.3
116.07074	1.9
117.07022	1.7
118.06893	9.8
119.08600	5.4
120.08099	2.6
121.06523	4.4
121.10160	25.7
123.08081	4.0
123.11712	3.4
124.03920	1.8
125.05994	1.9
125.09631	3.9
127.02972	2.5
127.03921	48.2
129.10233	4.1
130.06657	1.4
131.08574	7.1
133.10133	31.1
135.08078	12.5
135.11711	6.4
136.07564	2.9
137.05980	1.9
137.09624	7.9
139.11177	3.3
142.08650	4.7
143.08571	1.7
144.09395	1.7
145.04968	20.6
145.06087	2.4
145.06531	1.6
145.10112	4.2
147.02898	1.5
147.11708	12.3
149.09654	7.7
149.13272	16.0
151.03911	8.7
151.11191	42.3
151.12381	3.0
153.09134	3.4
154.08623	10.6
158.10960	3.0
159.02904	5.3
159.09167	2.7
163.14809	9.6
173.09718	3.0
173.13268	16.9
185.69704	1.4
187.11133	1.6
189.03925	3.7
191.14319	100.0
200.14055	1.5
209.15375	53.6
209.17400	2.6
213.03931	5.0
215.49081	1.3
224.47595	1.3
227.16373	2.3
228.10365	1.5
231.04996	26.1
246.07777	1.6
249.06174	9.7
252.94424	1.3
274.12347	1.8
373.19690	1.6
438.28519	2.1
456.29575	2.9
492.19418	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	492.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.6
54.06479	1.8
55.01878	3.8
55.05507	7.0
57.03438	3.3
61.02928	2.8
67.05502	8.3
69.03434	30.0
69.07074	12.4
70.06603	13.0
71.04999	7.3
71.52362	3.2
72.08168	4.9
73.02899	3.2
79.05505	9.1
81.03432	17.5
81.07069	12.7
82.06596	4.7
83.04971	10.6
83.08624	4.3
84.08150	5.7
85.02915	60.9
85.06553	3.7
86.09701	5.0
87.00363	3.6
87.00832	28.4
91.05483	9.4
93.07067	12.3
94.06563	5.5
95.04984	5.4
95.06133	2.8
95.08619	27.7
97.02905	26.1
97.06540	9.1
99.04463	11.0
104.07102	1.9
105.01881	64.0
105.07046	12.5
106.02982	3.1
107.04941	2.3
107.08607	50.9
108.08117	2.3
109.02893	23.3
109.06522	7.4
109.10158	12.5
111.08068	3.0
115.03965	3.6
116.07117	8.6
119.08582	7.9
120.08144	2.2
121.06512	7.1
121.10167	28.4
123.08095	5.8
123.11721	4.5
124.03963	5.6
125.09603	4.6
127.03928	42.1
129.06967	2.4
130.08643	2.4
131.08583	9.2
133.10141	65.5
135.08110	13.3
135.11717	10.2
136.07588	2.8
137.05983	3.9
137.09610	7.3
138.05545	5.9
139.11201	4.3
142.08656	6.8
143.08617	1.9
145.04984	23.2
145.10126	6.1
147.11703	10.4
149.09642	7.8
149.13245	10.1
151.07513	3.3
151.11206	47.9
153.09116	3.1
154.08650	18.8
158.11031	5.9
159.02925	6.2
161.09721	2.3
163.14809	9.6
165.12811	2.8
169.12225	7.4
172.09755	2.5
173.09666	3.3
173.13268	27.3
173.78699	2.4
189.03944	3.0
191.14333	100.0
209.15382	52.9
209.17351	2.2
213.04048	4.8
227.16367	12.0
231.05067	23.6
249.06102	6.3
268.08371	2.1
276.99008	2.2
420.27496	4.3
438.28555	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	492.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49716	0.7
51.97190	0.7
53.03945	2.8
55.01870	1.9
55.05519	6.4
56.47120	0.6
57.03436	1.8
57.07068	1.5
59.05008	0.8
61.02920	1.0
61.04982	0.6
65.03932	0.9
67.05513	4.0
69.03430	9.3
69.07073	2.9
70.06605	4.6
71.04992	2.8
72.08141	1.8
73.02897	1.2
74.97012	0.6
78.03462	5.8
79.05494	5.3
80.05027	1.8
81.03433	10.1
81.07063	7.7
83.04984	2.9
83.08620	4.7
84.08144	2.9
85.02914	25.7
85.06544	2.4
86.09711	2.7
87.00830	4.6
91.05487	11.7
93.07060	8.8
95.04978	9.8
95.08607	7.3
96.04514	2.3
97.02915	4.5
97.06538	9.1
99.04479	4.5
99.08080	1.1
103.05464	1.7
104.07169	0.9
105.01871	6.5
105.07043	37.5
105.96149	0.7
106.02228	1.1
106.02930	17.4
107.08613	14.3
109.02303	0.8
109.02903	6.1
109.06526	23.2
109.10181	6.4
111.08065	2.0
116.07086	1.2
117.07027	4.8
119.08593	34.4
121.06498	1.1
121.10156	15.3
122.02738	1.0
123.08076	9.7
123.11718	13.2
124.03965	100.0
125.06016	1.2
125.09637	1.9
127.03922	8.4
127.07562	0.7
129.07008	0.9
129.10263	2.2
130.07797	1.2
131.08571	6.6
133.06508	1.0
133.10146	28.0
135.08055	4.2
135.11719	2.3
137.05989	1.5
137.09637	1.4
137.13260	0.9
139.11212	1.2
140.67235	0.7
143.08572	0.9
145.04964	3.4
145.10133	8.3
147.08051	1.8
147.11702	54.4
149.09630	3.6
149.13289	1.8
151.07524	3.4
151.11205	2.1
153.09125	6.8
156.09341	2.0
157.08400	0.7
158.10944	1.1
159.02927	1.4
161.13350	1.1
163.11189	4.7
163.14847	3.3
165.12785	9.4
166.05067	1.2
171.11774	1.3
173.09567	0.7
173.13309	7.8
181.65633	0.7
185.16490	1.2
189.12747	5.1
191.14339	16.8
207.13826	25.8
209.15384	36.3
224.08707	0.8
225.14897	3.0
226.07097	1.5
227.16440	28.9
231.05002	1.7
232.06143	1.5
249.06270	0.7
250.07080	4.8
268.08188	32.8
284.07779	1.9
286.09241	62.9
287.09708	1.0
439.19864	0.9
475.22232	0.9
492.22256	3.5
492.30069	1.4
502.99527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
53.48044	1.2
53.53940	1.2
55.01876	3.1
55.05519	3.4
55.33185	1.1
56.34838	1.4
57.03433	3.8
57.07073	1.8
61.02935	2.9
63.51875	1.3
67.05510	6.3
69.03441	14.8
69.07063	4.1
69.64840	8.0
70.06593	3.4
71.05006	10.3
73.02942	2.2
79.05502	11.4
81.03413	11.5
81.07071	20.8
82.06590	10.3
83.04996	4.4
83.08636	4.1
84.08176	1.9
85.02918	35.0
85.06539	1.7
86.09705	1.8
87.00840	11.6
89.06026	5.5
91.05489	10.3
93.07046	14.3
94.06589	13.3
95.04974	11.4
95.08607	11.4
97.02892	11.8
97.06570	7.1
99.04482	6.9
105.01894	16.1
105.07048	26.1
107.05019	2.0
107.08613	14.3
108.08168	6.9
108.08821	1.4
109.02872	10.4
109.06528	18.9
109.10158	10.0
111.08086	1.9
115.07632	2.6
117.01833	1.7
117.07014	1.9
119.05094	1.7
119.08600	13.1
121.10159	100.0
123.08099	3.3
123.11716	3.9
124.07604	5.3
127.03938	21.9
131.08582	14.6
133.10147	27.0
135.08081	4.2
135.11681	9.3
136.07584	4.6
137.05956	3.0
139.11188	3.2
142.08655	14.1
143.08583	3.9
145.04976	9.2
145.10121	7.2
147.11722	7.2
149.13275	6.8
150.86188	1.3
151.03894	1.9
151.07597	4.6
151.11215	3.2
153.09106	6.9
154.08653	33.1
154.09839	2.4
156.18608	1.7
158.10907	8.4
159.02916	5.2
161.13277	4.7
163.14842	4.5
165.12785	1.5
169.03212	1.7
172.09717	3.2
173.11781	2.5
173.13281	54.6
191.14326	59.8
209.15388	37.8
227.16451	26.8
231.05031	7.9
249.06125	3.3
284.22156	2.0
334.56296	1.5
380.52414	1.6
398.36096	1.4
408.27414	3.3
420.27463	3.4
438.28622	32.9
456.24030	2.3
456.29779	4.7
457.20889	1.5
492.18320	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	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.2
55.01868	8.0
55.05503	3.0
55.65759	2.6
57.03437	7.0
58.67823	2.5
61.02922	6.6
64.64880	2.6
64.73463	2.6
67.05496	3.2
68.99809	4.0
69.03433	45.9
69.72143	14.6
70.06596	9.8
71.04999	13.2
72.08161	5.7
73.02908	3.6
79.05484	6.9
81.03429	19.2
81.07068	17.2
84.04497	3.9
84.08147	12.5
85.02916	100.0
86.09708	4.6
87.00838	44.7
87.04480	39.0
91.05492	10.2
93.07053	8.8
95.04964	2.8
95.08613	12.1
97.02908	30.5
98.20822	5.4
98.97598	3.5
99.04449	14.8
103.05490	4.1
104.07114	4.5
105.01876	60.4
105.07034	5.4
107.04931	3.1
107.08599	18.7
109.02890	26.1
109.06549	5.7
109.10201	4.8
115.03961	3.4
116.07070	6.0
119.08561	8.9
121.10150	13.2
123.11734	48.5
124.03948	8.0
127.03932	67.3
131.04916	5.9
131.08582	5.2
133.10161	25.6
135.08055	4.8
135.11703	3.0
137.06007	3.6
145.05017	25.8
145.10170	4.1
149.09633	11.4
149.13266	8.4
151.07570	8.9
158.10886	3.9
159.02890	7.0
161.13293	2.9
163.14825	8.2
167.07077	11.0
173.13284	26.2
177.05579	2.7
181.08682	4.0
191.14331	45.4
201.00549	3.4
207.06516	5.2
209.11798	3.7
209.15393	42.7
213.03983	4.3
225.07713	3.5
227.12959	3.6
227.16418	41.9
231.04997	17.9
249.06093	4.9
268.08167	4.9
316.14365	3.9
317.14484	10.3
318.13763	2.9
342.13834	3.9
425.46280	2.9
448.15781	3.8
492.16754	24.9
505.85785	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.01855	0.8
55.05522	4.1
57.07081	1.3
59.04977	0.9
61.02921	1.0
61.24683	0.8
67.05511	2.7
69.03425	4.8
69.07055	2.2
69.65852	2.1
69.66264	1.7
70.06592	2.9
71.04980	0.9
72.08138	1.6
72.34109	0.7
78.03459	5.8
79.05520	3.8
80.05005	1.5
81.03432	6.0
81.07061	4.3
83.04974	1.1
83.08629	1.6
84.08144	2.2
85.02912	16.4
85.06515	1.0
86.09728	1.1
87.00842	2.1
91.05488	10.9
93.07050	3.0
95.04984	4.2
95.08612	3.9
96.04530	2.0
97.02905	2.1
97.06544	4.3
98.20771	1.4
99.04465	1.3
103.05466	1.6
105.01887	1.5
105.07039	28.5
106.02924	17.4
107.08604	9.3
109.02895	3.4
109.06534	15.9
109.10169	3.1
113.51835	0.8
117.07060	3.9
119.08595	32.5
120.17990	0.7
121.06537	0.8
121.10152	12.6
123.08070	6.1
123.11722	13.4
124.03963	100.0
125.05977	0.9
125.09621	1.5
127.03946	3.6
129.07034	1.0
131.08557	3.8
132.09367	1.7
133.06493	1.2
133.10124	8.3
135.08092	2.5
137.09566	0.9
143.08588	1.2
145.04958	0.9
145.10115	4.0
147.08049	1.7
147.11699	48.7
149.09630	3.0
151.07542	3.5
151.11034	0.8
153.09142	2.1
156.09361	1.4
163.11165	4.7
165.12805	5.8
171.11772	1.6
173.13286	2.7
189.12758	4.7
191.14343	6.4
207.13831	24.4
209.15382	13.0
218.97282	0.7
225.14925	2.7
226.07178	0.8
227.16429	9.5
232.06215	1.3
250.07144	3.5
268.08191	29.8
268.11127	1.4
284.07669	1.2
286.09238	65.5
332.39282	0.7
462.71115	0.7
487.66971	0.7
492.22363	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	492.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01865	2.6
55.05495	0.9
56.53164	0.6
57.03435	2.1
58.06579	1.6
61.02916	2.0
61.50143	0.6
67.05486	0.8
68.99779	1.2
69.03081	1.0
69.03435	14.8
69.07068	0.7
69.23351	4.2
69.23769	1.4
69.23962	0.6
70.06588	1.3
71.04989	2.2
72.08152	2.6
72.74467	0.6
73.02906	2.4
78.03448	2.2
79.05493	2.6
80.05016	0.9
81.02980	1.1
81.03422	12.7
81.07062	2.1
84.08138	2.0
85.02909	25.8
85.06553	1.4
86.67379	0.7
87.00838	10.3
87.04513	1.5
89.03939	0.6
91.03964	0.9
91.05493	5.3
93.07050	4.4
95.04952	4.0
96.04501	0.9
97.02897	11.9
97.06552	1.0
98.21579	1.2
99.04453	5.2
102.05526	0.9
103.05464	0.7
105.01877	7.3
105.07047	1.4
106.02930	6.3
107.04972	8.8
107.08575	1.2
108.04469	2.8
109.02882	12.2
109.06537	0.8
109.10199	0.7
110.07179	1.0
111.04435	1.3
114.97233	0.7
115.01845	0.6
117.01853	2.3
117.03360	1.8
117.07015	3.2
119.04954	5.7
119.08583	1.3
120.08074	0.9
121.02859	1.8
121.06527	2.7
121.10140	2.6
123.04446	6.7
123.11696	1.6
124.03966	20.9
125.06008	0.8
126.05510	1.6
127.03925	19.0
128.07076	1.0
129.01859	1.1
129.06964	1.3
130.08635	1.2
131.08531	1.6
133.10184	0.8
135.08067	4.3
136.07620	0.8
137.05968	1.3
140.04626	1.4
145.02878	5.0
145.04971	7.3
145.06519	3.4
147.04408	3.8
149.05936	1.9
149.09621	7.7
151.03960	0.8
152.04698	1.0
152.07002	0.9
153.05470	1.0
155.05965	0.7
155.07030	4.6
159.02927	5.1
163.03947	0.9
164.07069	2.0
164.09175	2.0
167.07050	100.0
168.07346	0.9
175.03914	5.5
177.05490	8.5
177.09097	15.8
180.06465	0.9
181.08611	19.9
182.08136	1.1
183.06537	5.9
191.07060	0.7
191.14310	5.5
192.04214	1.5
199.07532	0.8
201.09106	0.7
204.34850	0.6
207.06529	13.7
207.10136	1.9
209.11745	32.7
209.15167	1.6
210.07542	1.0
213.03905	0.8
219.10097	1.1
225.07574	9.4
227.12801	34.3
227.16359	1.5
231.05000	2.4
233.11705	1.4
237.11258	5.5
248.07748	1.7
250.07146	2.2
251.12863	2.5
266.08548	0.8
268.08167	15.5
275.12823	1.4
293.13889	1.8
317.13858	4.2
330.19067	1.2
335.14932	1.7
463.26071	0.8
474.13852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12384	0.9
53.03937	2.7
53.86520	0.7
55.01861	2.6
57.03425	2.0
61.02937	1.5
62.65083	0.8
68.99795	1.2
69.03436	10.2
69.36720	2.6
69.37144	3.8
70.06613	0.9
71.04984	1.9
73.02921	2.2
79.05465	1.2
81.03427	8.5
81.98572	0.7
84.04477	2.0
84.08138	1.0
84.85512	0.8
85.02911	21.0
87.00830	7.4
91.05488	2.3
93.07042	1.3
95.04958	1.6
97.02897	9.2
99.04437	4.5
105.01871	5.9
105.06969	1.0
106.02960	1.2
106.23975	0.7
107.04963	6.8
108.04463	1.5
109.02371	0.7
109.02892	8.6
111.04449	1.8
117.03368	1.2
117.06995	2.7
121.06502	1.8
123.04436	2.6
123.34917	0.8
124.03926	3.4
124.05205	1.3
126.05515	1.2
127.03918	12.6
135.04398	1.0
135.08081	1.3
137.05978	1.3
145.02908	1.9
145.04987	6.9
145.06461	3.2
147.04401	1.4
149.09581	3.7
151.03902	1.7
155.07024	2.4
159.02943	4.4
167.07056	100.0
175.03940	2.0
177.05511	4.6
177.09125	15.8
177.65536	0.8
181.08580	4.9
183.06551	1.4
201.09091	1.1
207.06552	2.6
209.11752	31.2
213.04013	0.8
219.10120	2.1
225.07520	1.7
227.12807	33.2
230.06744	0.8
231.04897	1.3
233.11668	1.7
237.11201	6.2
248.07558	2.0
251.12759	1.6
268.08182	1.7
275.12802	1.2
293.13708	1.2
317.13742	2.4
335.14783	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30132	0.4
51.02390	0.4
53.03953	0.5
53.55951	0.3
57.03442	4.0
57.51816	0.4
59.04992	0.8
60.04535	0.8
61.02921	0.6
69.03437	14.3
70.06593	1.5
77.03952	0.5
81.03429	0.8
84.08148	0.8
85.02914	9.9
87.04479	10.8
90.29397	0.4
95.05001	0.5
97.02295	0.7
97.02905	11.5
103.05476	32.4
104.05818	0.4
115.03938	13.1
116.07105	0.9
127.03928	1.1
131.04939	100.0
132.05338	0.4
133.04976	17.6
133.06003	0.9
137.05971	1.4
143.04839	0.4
144.06592	0.4
145.04962	1.5
150.07635	4.5
163.03926	1.8
163.07558	53.1
175.07570	0.4
177.05400	0.4
192.10184	1.7
198.47054	0.4
259.05942	0.6
301.07135	0.8
356.63864	0.4
492.22412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62886	0.5
56.96550	0.7
69.03433	0.7
70.06598	8.4
71.51998	0.6
72.08148	1.1
79.05510	0.8
81.54072	0.5
84.08141	0.9
85.02910	1.5
86.06077	0.9
93.07057	1.5
97.02910	1.1
98.97604	1.4
98.98466	1.4
103.05470	7.5
107.04972	1.8
116.07111	10.8
120.08118	100.0
121.08479	1.2
128.98599	0.5
129.22314	0.5
131.04933	4.0
135.04413	0.4
147.04398	0.6
149.05974	1.0
155.04683	0.5
158.99699	1.0
163.03952	2.2
163.07513	1.0
166.08656	50.5
167.09012	0.8
177.05510	0.9
192.10109	0.6
219.01738	1.0
237.02829	0.7
410.40521	0.6
492.32208	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.6
57.82287	1.4
65.53436	1.5
69.22607	1.5
69.45036	1.4
70.02970	8.4
70.06586	2.1
70.42623	2.7
70.42985	3.1
71.99093	1.4
74.00671	3.0
74.02461	2.2
79.05477	2.3
81.03419	5.6
81.07061	2.2
88.03995	67.8
91.05489	3.7
93.07028	1.8
95.04979	2.1
95.08567	1.7
97.06576	1.7
103.05465	1.6
105.07008	2.1
107.04982	6.0
108.05730	3.3
109.02895	9.7
109.10149	1.8
117.07037	1.9
117.99580	2.4
119.06190	1.4
119.08614	1.8
120.01206	1.6
121.01096	1.9
121.06541	3.2
124.05196	1.7
131.04944	3.4
131.08582	1.5
133.06523	2.4
133.10133	2.6
136.05234	5.0
137.06017	5.9
137.09615	2.0
138.26163	1.3
145.06487	3.3
145.84538	1.5
146.07291	4.1
147.04445	2.0
149.00586	21.7
150.03738	1.5
151.07555	100.0
155.01672	3.4
157.06519	2.1
158.07307	3.1
159.04468	3.6
159.08055	2.2
165.05486	2.7
165.09143	3.5
166.00920	2.1
167.01634	3.2
169.03217	6.4
172.08820	3.4
173.06015	3.1
174.03711	2.3
174.06810	4.2
175.02122	2.4
175.07556	4.6
176.01753	3.2
176.08437	1.6
177.09125	12.2
178.00946	2.2
179.01578	1.9
181.03214	5.1
183.01163	4.3
183.04785	1.7
187.02176	2.0
187.07631	1.7
188.08405	6.8
189.09113	22.4
191.10727	3.2
191.14351	2.4
193.03271	8.9
201.09152	11.5
202.09781	2.7
203.10716	13.1
205.03200	1.8
207.04872	2.7
208.04265	7.9
209.15395	11.3
211.04195	2.1
219.04842	2.5
219.08147	2.1
219.10193	4.4
227.03741	1.9
231.07968	1.5
231.10176	3.7
244.06483	1.9
247.07690	3.4
249.05888	1.6
249.09081	3.4
249.11320	2.9
250.04616	1.6
251.05331	2.4
252.03363	2.2
252.05983	3.4
254.04840	16.6
261.09082	4.1
262.10016	1.9
263.07190	1.6
264.05856	1.5
265.03244	2.2
266.04163	2.1
267.04855	3.0
276.11356	1.7
277.08652	2.7
278.09427	1.8
279.04837	4.6
280.05771	4.5
281.06534	3.2
284.10446	2.5
288.04608	1.8
291.10095	3.4
292.05899	2.3
293.11761	3.4
295.07971	1.7
296.05176	2.3
297.05801	2.4
303.06879	3.7
305.11545	3.1
307.09570	1.6
308.05127	1.9
309.05966	7.5
309.11328	6.8
310.06799	1.4
310.12149	3.4
311.07343	8.0
321.05914	2.6
321.11276	5.9
322.12137	5.0
323.07336	20.4
323.12964	2.6
324.04697	2.3
324.08115	11.0
324.13583	17.6
325.05350	3.3
325.09079	4.2
335.07373	2.5
335.12665	2.0
336.08575	7.2
336.13611	13.3
337.09009	5.8
339.06924	3.0
340.07770	4.2
341.08429	1.8
343.09955	4.2
353.08572	2.3
354.09216	3.9
355.10007	26.1
357.11642	6.1
367.09967	8.2
369.11572	14.5
381.11740	2.5
385.10950	4.6
387.12735	8.0
403.12262	4.2
444.14810	9.6
446.16208	1.9
456.15005	4.3
462.15909	6.8
474.09351	3.2
474.15869	43.3
474.22662	2.4
492.16879	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.9
57.07082	33.6
58.91116	0.3
59.04998	0.5
67.05493	0.3
69.07076	5.2
69.51308	2.3
70.06968	0.3
71.08638	28.0
73.06569	4.9
81.07075	0.8
83.08624	4.1
85.10191	18.4
87.04480	2.1
89.06041	100.0
90.06360	0.4
91.07592	0.6
95.08598	0.6
97.10180	4.9
99.11725	2.6
107.07068	2.4
111.11725	2.9
113.13278	1.4
117.09169	1.8
125.13273	1.3
127.14846	0.9
130.08659	4.2
131.07031	0.4
133.08614	47.0
137.06024	0.5
141.16353	1.0
151.09676	4.5
153.84650	0.3
155.17909	0.5
169.19534	1.0
176.12393	0.3
177.11241	9.4
183.21132	0.5
195.12311	3.2
197.22649	0.4
221.13858	0.9
239.14919	13.5
297.31564	0.4
341.34219	1.0
447.40262	0.8
491.29703	1.0
491.43057	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	491.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21963	2.9
51.64174	3.5
53.03942	4.7
55.01875	7.3
55.05520	24.9
57.03439	3.8
57.07069	10.9
67.05507	48.7
69.03437	7.8
69.07072	60.9
70.06587	7.4
71.04999	7.7
71.08628	3.3
71.52448	4.7
79.05495	24.7
80.06329	3.3
81.03413	10.4
81.06593	5.1
81.07064	91.5
83.04997	6.1
83.08631	39.1
85.02907	29.0
85.06548	6.6
91.05475	26.1
93.07053	28.1
95.04990	11.6
95.08620	100.0
97.02895	8.5
97.06528	21.0
97.10190	21.4
98.97552	3.8
99.08110	7.2
105.07031	15.2
107.04961	8.5
107.08630	20.0
109.02873	6.6
109.06503	7.2
109.10164	63.5
111.08077	5.1
111.11729	19.3
115.13317	3.1
117.07019	4.5
119.08588	14.2
121.02858	5.6
121.06480	5.1
121.10144	16.9
123.04414	4.6
123.08042	3.6
123.11713	44.5
125.09660	4.6
125.13286	17.8
127.03915	9.5
129.06993	3.9
131.04857	3.5
131.08569	10.9
133.06506	5.2
133.10133	14.9
135.07974	4.0
135.11748	6.9
137.05974	12.8
137.09604	8.8
137.13274	25.9
143.08614	3.0
145.04968	10.0
145.06502	3.4
145.10150	9.6
147.08078	6.0
147.11702	5.0
149.13263	10.5
151.03848	4.3
151.14833	16.4
153.09035	3.5
159.08130	3.8
159.11664	4.0
161.05898	3.7
161.09589	5.7
163.03918	13.1
163.06029	8.1
163.11232	4.9
163.14850	5.9
165.09119	57.4
165.16389	11.0
169.15952	5.0
171.11661	4.3
173.13268	3.2
174.06757	3.4
175.03905	3.9
175.07516	3.2
179.17973	7.4
189.11266	4.9
191.17995	5.4
199.14879	3.5
205.12238	5.0
215.05226	4.8
215.07077	9.6
219.13805	4.7
219.21315	3.4
223.82953	3.4
259.09665	13.7
271.06024	11.2
275.27356	9.2
293.28442	24.2
299.05563	25.8
315.89575	3.0
374.01450	3.3
385.23587	3.5
419.31656	6.4
459.27512	7.3
473.14520	18.7
473.25269	4.2
491.15326	42.7
491.29498	8.3
491.36090	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	491.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73211	0.2
53.03942	0.3
55.01877	0.5
55.05510	1.4
57.03433	0.3
57.07061	0.3
59.38262	0.2
67.05507	4.8
68.85696	0.2
69.03426	0.4
69.07067	0.9
71.05001	0.6
71.32801	0.4
79.05145	0.2
79.05511	1.9
81.03413	0.7
81.07063	4.9
83.04987	0.9
83.08604	0.6
85.03469	0.2
85.06508	0.2
89.72619	0.2
91.05491	1.8
93.07068	2.1
95.04964	1.0
95.08612	3.0
97.06541	0.4
97.10188	1.0
103.05494	0.2
105.07030	0.7
107.04290	0.3
107.04968	2.0
107.08586	1.5
109.06528	0.8
109.10161	7.0
111.08059	0.3
117.07021	0.6
119.08589	2.9
119.94980	0.2
121.06537	1.3
121.10140	0.8
122.07298	1.8
123.08089	0.3
123.11720	6.7
125.09650	0.4
129.07008	0.4
131.08572	0.9
133.10124	0.4
133.14923	0.2
135.08064	0.5
135.11705	0.3
137.05957	0.3
137.09625	11.5
139.07610	0.5
143.08565	0.5
145.06462	0.3
145.10147	0.4
147.08043	0.3
147.11665	0.3
149.09593	0.5
149.13289	0.5
155.08598	0.3
155.10683	0.6
161.09688	0.4
163.11179	0.4
163.38286	0.2
165.09123	100.0
166.09497	0.5
167.10779	0.3
173.11806	0.5
173.13223	0.4
181.43782	0.2
183.10207	1.1
183.11732	0.2
183.13655	0.2
183.42691	0.2
185.09770	0.3
187.13202	0.3
189.09459	0.2
189.11212	0.4
191.14371	0.3
199.13332	0.3
201.11200	1.5
205.12270	0.8
209.18961	0.3
219.13802	0.6
227.12885	0.5
237.79521	0.2
249.50011	0.2
254.21201	0.2
275.16272	0.2
293.24805	0.7
321.24231	0.3
339.25717	1.5
349.21527	0.3
367.22778	0.9
385.23553	1.2
427.32159	0.4
459.27405	2.7
491.30481	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	491.3007
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03947	5.8
55.01870	4.7
55.05515	37.0
57.03439	16.3
62.02016	3.6
63.18897	4.1
67.05511	45.3
69.07063	15.8
70.06603	5.0
71.05001	6.1
79.05502	61.7
81.03427	50.7
81.07061	58.5
83.04987	10.4
83.08624	27.8
91.05484	83.4
93.07043	48.2
95.04984	30.8
95.08603	23.6
97.06551	3.6
97.10175	15.4
105.07034	43.4
107.04970	10.8
107.08587	19.5
109.06564	7.6
109.10198	8.5
111.08097	8.2
117.07043	24.3
119.04906	5.7
119.08591	31.2
121.06500	6.5
121.10157	9.0
123.11722	16.0
125.09669	8.8
128.06184	5.0
129.07014	21.1
131.08607	22.1
133.06567	6.9
133.10129	17.6
135.08102	4.9
141.06970	5.8
142.07843	3.7
143.08580	13.8
145.06577	4.4
145.10147	12.3
147.04588	4.8
147.08081	6.4
147.11676	26.2
151.07523	5.4
155.08640	4.4
157.06566	4.1
157.10152	6.9
159.07983	4.1
159.11771	5.5
161.13300	6.0
163.11171	7.7
171.11737	12.5
175.11137	6.8
183.38193	3.5
187.13275	7.4
189.12782	8.8
193.12245	16.1
207.13763	19.2
211.14891	4.9
227.12823	11.0
243.15945	4.9
247.17006	3.5
249.14896	9.7
267.15936	40.7
281.17508	34.2
305.17429	5.8
363.23328	6.7
398.64844	3.7
399.25269	12.9
455.28000	5.9
473.29105	100.0
491.30576	4.6
512.91333	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	491.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	2.3
53.04131	0.8
53.56118	0.8
55.01819	4.0
55.05458	15.3
57.03377	3.0
59.04955	1.5
65.03909	1.7
67.05448	22.6
69.03403	1.8
69.07072	6.5
71.05005	7.1
71.52496	1.1
77.60392	0.7
79.05497	24.2
81.03419	5.3
81.07061	24.8
83.04988	4.6
83.08621	5.8
85.02869	1.2
85.06502	2.7
87.04436	0.8
91.05482	18.1
93.07053	22.4
95.04976	11.6
95.08615	12.2
96.75145	0.7
97.02895	0.8
97.06554	4.7
97.10178	11.7
101.05969	0.7
102.81509	0.7
103.05437	1.6
105.06419	0.8
105.07034	12.2
107.04961	24.9
107.08601	11.9
109.02831	1.0
109.06531	10.3
109.10171	11.8
111.08036	2.6
115.05436	1.3
117.07028	9.1
119.04970	1.2
119.08593	9.2
120.08120	0.8
121.02802	1.6
121.06514	17.3
121.09363	1.0
121.10151	10.8
122.07268	1.6
123.04401	1.9
123.08051	3.4
123.11723	9.4
125.05984	0.9
125.09643	11.4
128.06258	1.3
129.07031	4.3
131.04910	3.0
131.07748	1.2
131.08588	13.1
133.06494	3.7
133.10123	6.2
135.04402	0.8
135.08066	5.4
135.11681	3.2
137.05952	2.5
137.09619	12.9
139.11165	1.6
141.06937	2.6
143.08551	4.3
145.06502	5.9
145.10133	5.9
147.04437	1.0
147.08035	3.3
147.11668	3.2
149.02376	0.8
149.09624	4.5
149.13171	1.1
151.03889	1.0
151.07527	1.4
153.07030	0.8
153.09114	2.4
154.07726	0.9
155.08565	3.9
157.06505	1.8
157.10117	3.3
159.08038	3.5
159.11702	2.9
161.06024	1.5
161.09604	2.3
163.07501	1.3
163.11183	3.2
165.09128	100.0
167.07126	1.0
167.08534	1.5
167.10713	2.6
168.09306	1.0
169.06461	1.0
169.10165	1.8
171.08105	1.9
171.10292	1.0
171.11678	2.0
173.09608	2.1
173.11839	1.5
173.13260	3.4
175.07565	2.4
175.11174	2.7
177.12773	0.8
181.12231	1.1
183.10144	0.9
183.11700	1.4
183.97786	0.8
185.09686	1.8
185.13330	1.0
187.11244	1.3
187.13309	0.9
189.09425	1.4
189.11256	5.2
189.12651	1.3
191.10680	1.1
191.14305	4.4
193.12257	2.9
195.11726	1.4
197.13292	1.2
198.20503	0.8
199.11243	1.2
199.13339	3.1
201.11021	1.0
201.12816	1.6
205.12279	2.1
211.11272	1.8
211.14806	1.0
215.14369	1.7
219.13818	8.5
223.13289	1.0
227.12569	4.8
229.15981	1.0
233.15501	1.7
237.12782	1.3
239.14378	0.9
243.13936	1.0
245.15422	1.1
247.17026	1.2
249.14952	3.0
255.13846	1.3
257.15430	1.2
259.13104	0.9
271.16891	1.1
273.14890	4.8
275.16507	2.9
287.16510	1.0
299.05685	1.2
311.16586	1.5
321.22052	0.9
339.22989	1.8
349.21664	5.8
357.24261	1.2
367.22714	14.7
381.20929	1.4
385.23764	17.7
385.28317	1.3
403.25052	4.5
405.24210	1.0
417.26868	1.5
441.26462	3.8
445.26163	2.1
459.27429	50.7
463.27118	1.3
473.19003	0.8
473.25198	1.4
473.30148	1.0
491.30643	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.8
51.94148	0.6
52.85366	0.6
53.03936	2.1
55.01871	0.9
55.05508	2.0
57.07061	1.3
61.65174	0.7
65.03954	1.1
67.05515	5.6
69.07072	3.4
72.08160	6.5
75.37924	0.7
77.03917	1.0
79.05504	14.4
81.03412	1.5
81.06592	1.5
81.07067	26.3
91.05493	9.0
92.63538	0.6
93.07055	13.7
95.04963	3.9
95.08621	12.8
105.03394	1.5
105.04501	0.9
105.07052	6.5
107.04967	1.9
107.08604	13.7
109.10159	1.9
115.05471	1.3
117.07041	2.4
119.08607	4.3
129.07042	1.8
131.04915	0.8
131.08543	1.7
133.06531	0.9
133.10118	3.6
135.04436	100.0
135.11684	5.8
137.06003	3.3
137.13264	3.8
142.07838	0.7
143.04933	1.2
143.08594	2.7
145.10158	2.5
147.11708	3.2
149.02380	10.0
151.03897	3.3
157.10175	2.9
159.11702	0.9
162.13837	0.7
169.10216	1.8
171.08011	0.9
171.11687	0.7
173.05966	1.4
175.07570	1.0
175.11273	1.6
181.10152	0.9
183.11757	2.0
185.13287	1.3
195.11734	0.8
197.13289	0.9
203.07074	1.6
203.10735	1.9
211.14893	1.1
221.13356	0.8
246.18523	5.6
319.09695	1.8
325.10861	1.2
336.08978	0.8
336.22897	0.7
337.10791	1.4
355.11920	2.1
383.81516	0.8
420.29150	2.4
461.23215	5.7
491.24445	48.2
491.36063	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	491.2434
Annotation	Macaflavanone E
Peak:m/z	Relative Intensity
50.56381	0.6
50.73886	0.6
53.03940	1.4
55.01858	2.0
55.05514	1.6
57.07069	1.0
60.13891	0.7
65.03940	1.0
67.05513	4.7
69.03419	0.7
69.07075	5.5
70.06578	0.6
70.81787	0.7
72.08131	1.2
72.51525	0.8
77.03950	0.8
79.05135	0.7
79.05508	7.9
81.03385	0.9
81.07069	12.9
83.05010	0.7
83.08610	1.0
85.82882	0.7
91.05502	3.7
93.07051	5.4
95.04981	1.9
95.08614	7.3
103.05469	1.7
105.03398	0.8
105.07028	1.9
107.08598	5.2
109.10155	6.2
111.11738	0.7
115.05479	3.4
117.07026	2.9
119.04935	1.3
119.08590	2.0
121.10153	1.1
122.03664	1.9
123.04494	0.7
128.06200	1.2
129.07027	3.1
131.04919	3.5
131.08589	2.2
133.10155	1.2
135.04428	100.0
135.11736	3.6
137.06000	21.2
137.13261	1.2
141.06963	0.9
143.04924	2.5
143.08571	1.6
145.06506	4.8
145.10100	1.0
147.04401	1.4
149.02368	14.2
149.06032	1.0
151.03957	4.5
151.07550	4.3
155.08583	0.8
157.06551	3.6
157.10152	1.4
159.08064	2.1
161.05972	3.4
163.03894	1.2
163.07616	1.1
165.05504	2.1
165.09114	0.7
169.06474	1.5
169.10170	0.8
171.08063	2.2
173.05986	9.0
173.09546	0.8
174.06683	0.9
175.07545	3.5
177.05528	1.8
177.09142	2.8
183.08156	0.9
185.06003	3.3
185.09717	1.2
187.07611	4.9
189.09132	3.6
191.10689	1.5
197.09669	0.9
199.07532	1.3
201.05582	1.1
201.09178	2.3
203.07034	7.4
203.08537	0.7
203.10661	1.8
205.08702	1.3
205.12288	0.7
211.07681	1.0
213.09183	1.5
215.07080	2.1
215.10696	0.7
217.08585	0.9
219.08095	0.7
225.09187	1.0
227.10689	0.9
229.12384	0.9
229.16039	0.7
235.11090	0.8
239.10710	0.7
243.13821	1.0
245.15433	1.1
247.11221	0.8
253.12415	0.7
261.09180	1.1
263.07181	0.7
263.10535	0.7
265.11957	0.7
271.16940	1.3
275.07401	0.7
277.08527	0.9
288.33459	0.7
289.08618	1.0
291.10004	0.8
297.18631	1.3
319.09811	2.9
321.18658	1.6
325.10785	2.0
331.09744	0.8
333.11157	1.4
337.10675	3.5
341.21124	0.7
351.19547	1.9
353.34756	0.7
355.11783	11.5
367.11884	1.3
369.13577	1.5
402.18399	2.9
443.22220	0.9
455.15857	0.6
455.22379	2.5
457.87692	0.6
461.23401	2.6
473.23364	4.6
491.24414	28.5
491.35614	5.6
492.24677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.9
53.03944	2.0
55.01867	2.2
55.05511	2.5
55.75027	0.7
57.07075	0.6
62.76049	0.5
65.03940	2.0
67.05510	5.8
69.07075	6.9
71.09431	1.3
76.88340	0.6
77.03921	1.0
79.05504	7.5
81.03429	1.2
81.07070	18.5
83.08683	0.8
91.05463	3.6
93.07056	6.6
94.04197	1.0
95.04967	1.9
95.08621	9.1
103.05486	2.3
105.03429	1.4
105.07036	2.2
105.38130	0.6
107.08607	4.9
108.02156	1.0
108.89281	0.5
109.06552	0.8
109.10181	4.6
111.11703	0.9
115.05486	3.8
117.07053	3.2
117.72308	0.6
119.04945	0.9
119.08573	1.7
121.06548	1.0
121.10162	0.8
122.03682	1.2
123.04447	1.2
125.09650	0.7
128.06264	1.5
129.07039	4.9
131.04953	3.6
131.08582	2.7
135.04436	100.0
135.11707	5.2
137.06000	25.3
137.07074	1.2
137.13278	2.5
143.04951	4.7
143.08565	2.9
145.06511	6.2
147.04416	1.2
149.02356	11.9
149.06000	1.9
151.03931	32.9
151.05008	2.6
151.07536	4.9
157.06502	3.8
159.04436	1.2
159.08023	1.1
161.06062	4.1
163.03941	2.9
163.07629	1.5
165.05539	6.4
165.06854	1.2
166.64143	0.7
169.06436	0.7
171.08057	4.2
172.05273	0.9
173.06006	13.0
175.07607	4.5
177.05481	1.9
177.09148	2.6
182.98775	0.7
183.08031	1.1
185.06007	4.4
185.09633	0.9
186.06671	0.8
187.07568	6.3
189.07219	0.7
189.09090	3.9
191.10735	2.7
195.08067	1.2
197.05991	0.9
199.07567	2.3
201.05421	1.4
201.09111	2.0
203.07047	8.1
203.08791	1.5
203.10561	3.5
205.08612	1.0
211.07611	1.1
213.05411	1.0
213.09164	1.6
215.07060	2.5
215.10684	1.5
217.08560	1.4
217.12277	0.9
219.08272	1.3
219.10091	0.9
227.10713	1.2
229.12273	0.8
233.08170	2.0
235.07419	0.8
239.10716	1.2
241.08687	1.0
241.12704	0.7
243.13867	1.5
245.15366	1.5
249.09300	1.1
259.17081	0.8
261.09216	1.7
262.06107	0.8
263.07382	0.6
263.10541	0.9
269.15405	0.9
271.16968	2.0
273.11435	1.1
275.07278	0.9
275.11047	0.9
277.08719	1.1
282.09009	0.9
287.07208	1.0
287.10663	1.0
287.16489	1.1
288.08005	0.6
289.08450	1.6
291.10132	1.3
292.07556	0.8
293.08075	1.0
295.09726	1.1
304.07449	1.5
307.09705	1.9
309.11435	1.2
309.18591	1.2
313.08743	0.7
319.09644	7.2
321.11453	1.2
321.18341	1.3
325.10800	2.0
327.10138	1.0
333.11160	1.6
337.10767	9.1
341.21036	0.9
345.11102	1.7
349.10928	1.4
351.19479	1.7
355.11823	22.0
363.12350	1.4
367.12158	1.1
369.13385	1.4
402.18359	4.6
403.19101	0.9
414.75925	0.7
415.19177	0.6
443.22147	1.0
455.22275	3.4
461.23114	1.7
473.23166	7.9
491.24365	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2433
Annotation	Macaflavanone E
Peak:m/z	Relative Intensity
51.02371	1.0
53.03950	1.5
55.01875	2.8
55.05511	2.6
57.07084	1.2
58.04541	0.8
65.03938	2.3
65.65959	0.8
67.05514	6.0
69.07079	8.8
71.25603	0.9
71.52609	0.9
71.52988	1.2
77.03930	1.1
79.05508	7.4
81.03416	2.1
81.07067	15.6
83.08657	0.9
84.46925	0.8
91.05484	9.7
93.07055	30.1
93.07644	1.6
95.04988	1.9
95.08614	7.8
103.05456	1.3
103.42581	0.8
105.07035	4.5
105.97040	0.9
107.04920	0.7
107.08608	16.6
109.06520	1.6
109.10159	3.8
111.11759	1.0
115.05450	5.0
116.78289	0.8
117.07033	3.3
119.08574	2.3
123.04487	1.4
123.11691	0.9
128.06256	2.4
129.07027	8.7
131.04933	2.8
131.08583	1.1
133.10139	1.6
135.04431	100.0
135.11705	18.0
137.05995	11.9
137.13266	2.1
141.07005	1.6
143.04936	5.8
145.06540	5.1
145.10170	1.5
149.02338	10.8
149.06027	1.6
151.03923	27.3
151.04996	2.0
151.07582	2.6
157.06506	7.6
159.04482	2.0
161.05984	4.6
163.07530	1.0
165.05479	2.9
171.08057	1.7
173.06004	24.4
173.09814	0.8
175.03938	1.1
175.07585	3.3
177.05518	1.2
177.09117	1.4
180.09280	0.9
183.08125	1.0
185.06012	8.6
186.06703	2.4
187.07568	8.9
189.09169	1.8
191.10727	1.2
197.06029	2.1
199.07590	2.7
199.11142	1.2
200.11383	0.9
201.05486	1.3
201.09093	1.3
203.07039	8.9
203.10825	2.3
205.08688	1.0
212.56491	0.9
213.09116	1.3
215.07077	9.2
215.10785	1.5
218.07289	1.1
219.08006	1.5
227.10713	1.8
233.08054	5.1
237.09109	1.0
239.10591	1.1
241.12411	1.3
247.07484	1.0
255.14043	0.9
259.07590	1.2
263.10635	1.2
265.11972	1.0
271.16925	1.5
287.16391	1.0
289.08630	1.4
293.07919	1.1
294.53796	0.9
307.09579	1.4
319.09698	6.2
321.11365	1.8
321.18616	1.1
331.09579	1.2
331.98428	0.8
337.10785	5.0
351.12357	1.0
351.19754	2.3
355.11801	19.2
363.12369	1.9
367.12003	1.1
369.13467	2.1
369.20374	1.0
383.15503	1.1
402.18402	2.2
403.19272	1.4
443.22281	1.5
455.22400	2.8
461.23157	1.1
470.14447	0.9
473.23212	6.9
491.24347	16.7
491.35501	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	490.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.8
53.03934	3.7
55.05510	8.6
56.05049	1.2
57.07059	1.4
65.03945	2.6
67.05509	17.0
68.05041	9.9
69.03427	2.9
69.07074	8.5
70.06601	45.5
70.11964	1.0
70.23124	1.1
70.23466	3.2
77.17116	1.0
79.05499	25.4
80.05026	5.5
81.07069	29.8
82.06576	8.6
83.08603	2.1
84.08138	2.2
91.04905	1.4
91.05485	34.1
93.07053	35.5
94.06595	2.0
95.04980	37.4
95.08615	12.8
95.73994	1.1
96.08147	9.1
97.06568	2.2
98.06065	2.4
98.21471	1.1
100.07627	33.6
103.05473	3.6
104.06206	1.1
105.04521	1.9
105.07039	73.0
106.06550	4.8
107.07375	1.2
107.08601	20.8
108.08115	6.7
109.06508	2.9
109.10163	15.3
110.09662	1.1
111.08098	1.5
114.05540	21.7
115.05466	3.7
116.06298	2.1
116.07085	11.1
117.07020	18.6
119.08592	51.9
120.08115	10.0
121.10158	32.2
122.09677	3.6
122.35401	1.3
123.08088	1.4
123.11721	2.2
126.09171	2.4
128.06232	7.1
128.07091	53.9
129.07011	14.2
130.07777	8.0
131.08585	26.9
132.08044	2.7
133.10139	22.0
133.11101	1.9
134.09676	6.7
135.08133	2.0
135.11687	8.0
136.11232	4.4
137.09627	2.1
140.07126	1.4
140.62187	1.1
141.06993	8.3
142.07755	12.6
142.08662	2.0
143.07494	2.4
143.08578	30.1
144.08319	1.3
144.09346	6.5
145.10136	52.3
146.09680	4.6
146.10825	1.0
147.11705	14.8
148.11218	15.1
149.12050	2.3
149.13184	2.0
151.06319	2.0
152.07150	2.4
153.07010	2.5
154.08694	23.2
155.08546	12.3
156.09348	12.0
157.09026	1.4
157.10144	35.0
158.09694	2.8
158.10907	3.6
159.11682	12.9
160.11234	6.7
161.09650	2.4
161.13258	4.1
162.12833	4.0
164.07101	2.7
165.07018	4.7
166.07661	1.7
167.08566	6.7
168.10367	11.2
169.10143	26.5
170.09674	1.4
170.10977	2.7
171.11711	15.1
172.11223	5.3
173.13268	10.1
174.12834	4.9
175.14894	4.1
178.08667	8.8
179.08519	5.8
180.09253	2.2
181.10069	9.2
182.10960	4.1
183.11720	14.8
184.11270	2.7
184.12656	1.4
185.13327	6.4
186.12761	3.2
187.14854	3.1
188.14363	1.9
192.10289	2.4
193.10228	4.7
194.11894	25.6
195.11722	8.0
196.12509	4.0
197.13293	7.9
198.12723	2.5
199.14879	2.1
200.14441	1.7
201.16409	2.7
205.10223	1.3
206.11711	4.8
207.11702	5.3
208.12729	1.7
209.13269	12.7
211.14854	10.8
212.14320	1.8
214.15941	3.5
216.10193	2.6
218.11763	8.6
219.12474	3.4
220.13490	5.6
221.13350	3.0
223.14909	3.3
226.15910	4.7
230.11734	3.3
232.13223	2.5
233.13731	2.1
235.14885	4.2
237.16466	5.2
238.16048	1.1
239.18033	3.3
240.17409	1.2
242.11905	1.5
244.13420	3.9
246.14757	2.6
247.14851	1.7
256.13336	2.9
258.14978	5.5
259.15732	3.7
260.16495	14.9
261.16602	1.2
265.19568	3.5
270.15067	4.2
271.15729	6.5
272.16653	2.3
274.18054	3.0
275.17841	1.8
284.16525	8.1
291.20920	2.2
297.17389	2.6
314.21310	2.3
350.21304	4.0
352.22635	2.9
357.25839	1.7
366.24332	2.0
380.25861	60.3
384.25519	1.4
393.26862	1.4
398.26935	39.5
411.27707	1.7
428.33279	3.5
472.32135	85.8
490.33209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.05515	28.3
61.67850	1.2
65.03956	2.1
65.85222	1.5
67.05507	7.6
70.06577	1.7
70.10186	5.6
72.08159	50.9
79.05500	9.8
81.03432	4.0
81.07054	6.4
83.04984	100.0
85.08275	1.4
91.05491	13.7
93.07047	17.7
95.04958	5.3
95.08624	2.0
98.21337	2.1
103.05503	2.6
105.07028	8.0
107.04951	6.2
107.08575	3.2
111.04449	26.9
115.05425	2.6
116.50047	1.5
117.07023	3.7
119.04964	1.7
119.08580	3.5
121.06517	5.5
123.04441	1.8
129.07010	1.9
131.08539	2.6
133.06439	3.3
133.10100	3.3
135.04379	1.6
137.06004	7.9
141.06975	1.7
143.08667	1.5
145.06456	4.9
145.10130	3.2
147.11635	3.8
152.04683	2.4
152.10724	1.7
153.05449	3.2
153.07024	2.7
155.08572	5.7
157.06459	1.8
159.08081	4.5
161.06046	1.8
165.06943	2.0
167.07048	39.1
172.28587	1.5
173.05952	1.7
173.09546	1.4
177.05490	2.4
181.08603	10.1
181.09999	1.7
182.11781	84.1
183.08109	3.4
185.06099	1.5
187.07593	2.9
187.11224	2.0
188.44130	1.4
191.06995	4.2
193.08650	2.3
201.09215	2.6
205.08543	2.9
213.09186	2.0
215.10649	5.9
217.08516	1.8
229.08621	1.9
231.10193	2.7
232.10857	2.5
245.11806	3.0
247.13350	9.8
259.10208	1.6
262.17966	1.6
279.13788	2.2
282.00552	1.5
341.17188	2.1
401.89706	1.6
401.97464	1.4
472.26953	40.2
490.27817	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	490.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.0
51.68336	0.8
53.03949	2.7
55.01870	1.6
55.05503	4.1
56.05032	1.7
65.03936	2.3
67.05509	4.4
68.44336	0.9
69.03429	2.3
69.28227	0.9
71.07373	5.0
71.53544	0.9
72.08160	28.2
77.03947	1.0
79.05495	13.0
81.03419	2.6
81.07064	4.9
83.04966	1.1
87.65684	0.9
91.05488	18.0
93.07050	5.9
95.04968	3.9
95.08618	1.9
96.04514	1.0
96.72457	0.9
103.05484	2.4
105.07042	9.2
107.04976	12.1
107.08596	3.7
109.06543	1.5
110.06066	1.0
111.06767	1.0
115.05460	3.2
115.87720	0.9
117.07015	3.6
118.04189	1.2
119.08611	2.2
121.06503	4.1
123.04452	2.8
124.05198	1.6
124.07606	1.4
128.06265	1.8
129.07024	3.6
131.04953	2.3
131.08580	11.6
133.06499	3.7
133.10133	2.1
137.05975	2.6
139.09924	7.6
139.23172	0.9
141.07004	2.8
142.07793	2.9
143.08582	1.2
144.05687	3.5
145.06496	4.1
147.04408	1.5
147.11732	1.3
149.05974	1.2
152.04802	1.5
152.06290	3.6
153.05556	1.4
153.07001	20.6
154.07851	1.2
155.08577	4.6
156.05711	3.0
157.06477	6.7
159.08076	3.3
161.06001	2.6
165.07013	2.3
167.07069	40.1
167.08574	3.4
169.06436	2.3
170.07265	6.0
171.08037	1.5
173.05992	4.6
174.06767	1.6
175.07567	1.2
176.04834	0.9
177.05516	2.5
177.45708	1.1
178.06300	1.2
178.07816	1.2
178.85023	1.1
179.07097	1.1
179.08540	1.9
181.04945	4.2
181.06494	8.4
181.08609	9.6
182.07233	1.7
183.08054	2.4
184.08888	1.3
184.13371	1.1
185.06065	1.9
185.09624	9.3
187.07555	3.4
189.05469	1.9
189.09151	1.6
191.07027	6.7
191.08521	1.3
193.08620	4.5
193.10190	1.9
195.08144	1.8
197.05974	1.8
198.06836	2.5
199.07565	2.1
201.09093	1.9
202.06235	3.3
203.07001	1.5
204.07858	2.8
205.08636	2.8
207.08240	1.0
207.10123	1.8
209.08153	1.2
211.07626	2.1
213.09137	11.4
217.08604	11.6
218.09412	1.4
219.10249	2.4
221.09700	2.3
225.12834	1.0
229.08661	2.4
230.09450	3.2
231.10161	1.9
235.11427	1.4
238.09756	1.0
239.10620	2.1
243.10153	2.7
245.11743	18.3
253.12276	3.5
257.11880	1.0
261.11349	1.2
263.10754	1.5
271.13306	2.6
281.11963	1.7
285.14886	3.0
293.13931	1.7
295.13437	1.5
305.13870	2.2
313.14371	3.8
373.20239	3.2
384.21777	5.4
401.19461	2.9
472.26993	100.0
473.27332	1.3
490.27798	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	490.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01876	2.0
55.05518	3.5
57.03442	3.4
57.07080	0.6
59.04994	0.9
61.02922	0.9
62.71660	0.7
65.07666	0.7
67.05501	1.4
68.99790	1.1
69.03433	6.3
69.07053	1.9
69.39232	0.7
70.06597	1.1
70.96547	1.5
71.04991	2.0
72.08159	3.8
73.02920	2.0
77.65049	0.7
79.05505	1.8
81.03423	7.6
81.07067	5.6
83.04991	6.6
84.08155	0.9
85.02910	29.1
85.06531	1.1
87.00838	8.4
91.05489	2.3
93.07045	4.5
95.04964	2.7
95.08604	3.5
97.02896	11.2
97.06526	2.6
99.04453	4.5
105.01874	5.3
105.07026	5.4
107.04987	0.8
107.08610	6.4
109.02889	8.2
109.06525	13.1
109.10179	3.8
111.04436	0.7
111.08073	4.8
116.07079	1.0
117.01862	1.3
117.07040	0.8
119.08587	7.5
121.09356	0.8
121.10169	13.5
122.07313	0.9
123.08108	5.3
123.11717	15.2
125.09612	0.8
127.03928	12.2
129.01817	0.9
131.04883	1.5
131.08591	1.2
133.10141	2.5
135.08075	1.6
135.11693	1.4
137.06015	0.8
137.09627	24.6
137.13168	1.1
138.49756	0.6
145.04988	4.0
145.10143	2.5
147.07985	0.8
147.11707	13.8
149.09613	5.9
151.07530	1.3
151.11234	1.1
156.07710	0.7
156.09384	0.9
159.02922	3.3
161.09592	0.7
161.13278	7.3
162.16838	0.6
163.11227	0.8
164.07109	1.1
165.12764	100.0
166.13126	0.9
171.11688	2.4
174.10408	2.3
179.10858	0.6
179.14313	8.1
183.06679	1.0
189.12759	17.8
198.36627	0.7
207.13818	57.6
210.45000	0.7
213.03946	1.6
231.05045	5.1
241.91336	0.8
479.19281	0.7
490.18280	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
55.05500	4.5
57.03432	1.9
57.07050	2.5
61.01094	1.7
64.32381	1.6
64.89594	1.8
67.05492	4.4
69.03430	10.7
69.07079	2.8
70.05052	7.5
71.04990	6.4
72.08131	2.3
73.33621	1.7
76.06232	1.6
79.05482	6.3
81.03438	8.7
81.07050	7.5
83.04972	5.6
83.08144	1.5
83.08628	9.2
83.80489	1.8
85.02922	28.2
85.06535	2.8
86.09704	2.4
87.00838	11.7
87.04466	6.2
91.05476	6.0
93.07031	6.9
95.04974	22.6
95.08627	9.3
97.02900	7.3
97.06597	2.3
98.06082	2.1
99.04448	13.8
104.05298	2.5
105.01871	7.4
105.07031	7.7
107.08607	49.5
107.36476	1.8
109.02865	6.6
109.06523	8.1
109.10136	2.8
111.04428	3.4
119.08587	4.8
121.06518	2.5
121.10159	13.0
123.08085	100.0
123.11693	11.4
125.05979	3.9
125.09638	28.7
127.03911	8.8
131.08583	4.3
133.10141	3.8
135.07991	2.9
137.05984	4.7
137.09621	4.6
139.11205	4.7
145.04913	1.8
145.10144	2.1
147.08028	2.5
147.11690	5.7
149.09634	45.6
151.07539	7.5
159.02896	2.9
161.09627	2.6
163.11147	1.9
165.09151	13.7
165.12775	4.7
166.09502	2.8
167.10684	12.9
173.09755	1.9
183.13799	4.9
189.12720	11.4
191.10678	7.3
196.38985	1.9
205.09293	1.7
207.13844	23.7
223.13266	4.8
225.14883	92.6
235.13342	5.8
237.14906	8.4
242.21286	9.4
249.14943	31.0
251.88609	2.2
261.14865	7.8
267.15845	9.8
279.15948	5.4
291.15897	7.9
315.15851	2.8
333.17050	3.1
357.83081	2.2
437.18213	13.4
455.19061	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	490.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
53.98428	0.4
55.01865	0.5
55.05505	0.5
57.03425	0.9
58.06584	1.0
61.02913	1.1
63.02412	0.4
63.12062	0.4
67.05502	0.5
68.05045	0.4
69.03437	3.5
70.06577	1.3
71.04990	0.5
71.44862	0.7
72.08139	1.5
73.02911	0.8
78.94548	0.3
79.05459	0.7
81.03410	1.1
81.07049	0.4
84.08160	0.5
85.02908	7.0
85.06562	0.4
86.09725	0.7
87.00831	0.3
87.04475	0.7
89.03915	3.2
91.05494	4.1
93.07059	6.4
95.04956	0.8
95.08643	0.4
96.43965	0.4
97.02895	2.1
99.04455	0.9
103.05471	3.6
105.07056	0.7
107.05000	0.4
109.02856	0.9
109.06518	0.6
116.07103	1.3
117.03394	11.2
119.04906	0.5
121.06514	43.7
121.10197	0.6
125.60488	0.4
127.03896	1.4
129.10295	0.5
131.05008	0.4
131.08554	0.4
134.03662	0.5
137.05873	0.4
145.02856	42.0
147.04395	1.4
149.05994	3.5
149.09645	0.8
150.09117	1.0
151.03961	0.5
151.07535	0.5
152.10733	4.1
162.05544	1.1
163.03928	0.7
163.06035	0.4
163.07545	1.0
177.05482	81.3
178.05875	0.5
178.08650	2.5
186.05511	0.8
207.06543	1.0
207.13820	0.5
208.09706	2.2
219.08961	0.5
310.23956	0.4
314.16040	1.3
328.15457	100.0
329.15775	1.5
370.16440	0.9
490.20871	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	490.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.01880	1.1
55.05511	2.0
55.66192	0.7
57.03442	9.7
59.04992	0.9
61.02926	2.1
69.03435	4.0
69.07055	0.7
70.06571	2.7
70.31285	1.3
71.01369	0.9
71.04995	78.8
72.08159	0.7
73.02911	1.9
75.04481	4.9
81.03411	1.6
83.04987	6.5
85.02907	100.0
87.04477	3.1
89.20000	0.5
91.03961	0.6
93.07051	0.8
97.02905	4.4
97.06536	1.3
98.97604	0.6
99.04440	1.8
101.06004	0.9
103.03932	1.2
105.07037	1.9
109.02870	1.5
111.04434	4.3
115.03929	1.5
116.07118	3.2
121.10101	0.6
123.08070	1.1
124.05183	2.3
127.03940	3.7
128.07190	0.6
129.05486	46.0
133.04942	1.4
133.06479	2.0
137.06009	3.1
145.04961	2.9
146.08128	1.4
147.06520	23.6
159.02832	0.6
162.07649	0.6
163.06027	0.8
163.11116	1.2
164.09198	6.3
165.09109	8.5
180.08623	1.1
207.13724	1.0
219.10138	0.7
225.07513	1.0
225.14806	1.8
231.78140	0.6
255.08580	1.3
309.11594	0.9
430.84732	0.7
482.19214	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.358
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03945	2.8
55.01867	1.4
55.05517	13.1
56.87546	0.8
57.03427	2.9
57.07071	1.2
59.04994	2.8
65.03924	2.8
67.05512	63.9
69.07074	9.7
71.04996	1.9
74.22058	0.8
79.05494	22.2
81.07065	28.6
83.05006	1.8
83.08633	6.6
85.06535	1.8
91.05485	16.6
93.06487	1.7
93.07058	26.8
93.48641	0.9
93.49783	0.7
95.04955	2.1
95.08617	17.8
97.06556	1.6
97.10149	2.6
98.20676	1.3
104.81377	0.9
105.07049	16.5
107.08609	14.5
109.06535	2.0
109.10165	36.6
111.08104	2.1
112.65378	0.9
117.07021	5.4
119.07806	1.7
119.08598	20.9
121.10162	13.8
123.08080	1.1
123.11735	1.8
125.09660	1.2
129.07001	1.7
130.93591	1.0
131.08580	10.6
133.10139	11.8
135.11691	8.3
137.09602	2.1
139.11227	1.0
143.08556	3.1
145.10146	10.7
147.11676	8.1
149.13258	3.6
155.08563	1.6
155.10715	2.1
157.10165	3.1
159.11719	8.3
161.13260	6.2
163.14911	1.0
168.49300	0.9
169.10101	1.3
171.10391	0.9
171.11740	4.0
173.11758	8.4
173.13298	5.4
175.14790	1.8
177.16295	1.0
183.11803	1.3
185.13298	3.2
187.14830	2.1
192.61131	1.0
197.13300	2.1
199.14873	2.9
201.16481	1.7
203.14409	1.2
211.14822	1.2
213.14806	1.7
219.17496	1.2
225.16473	1.7
227.18097	1.2
261.22220	4.3
271.20468	1.1
275.20123	2.4
289.21509	1.4
299.23657	2.1
315.23221	1.4
317.24854	2.4
347.79666	1.1
377.26532	1.2
379.30008	4.5
397.31088	7.9
415.32028	2.2
435.32343	1.1
453.33298	0.9
471.34839	7.0
489.35794	100.0
490.36322	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3578
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
50.93916	0.9
53.03931	1.8
55.01858	0.8
55.05514	12.1
57.03436	3.2
57.07076	2.8
58.16983	0.9
59.05005	2.9
64.99183	0.8
65.03938	2.0
67.05510	59.8
67.20358	0.8
69.07072	11.1
71.02245	2.0
71.04993	2.4
79.05495	22.7
81.03432	1.2
81.07063	30.5
83.04993	1.2
83.08630	5.9
85.02913	1.0
85.06524	1.3
91.05487	19.4
93.07050	27.9
95.04957	2.3
95.08614	20.2
97.06531	2.4
97.10184	2.7
105.04554	0.9
105.07036	18.6
107.04984	0.9
107.08610	15.2
109.06484	1.9
109.10165	34.0
111.08099	1.4
117.07021	6.6
119.08593	21.0
121.10150	10.5
123.11730	1.8
125.09619	1.5
129.07022	3.5
131.08589	11.9
133.10135	11.6
135.04475	1.9
135.08101	0.9
135.11702	6.6
137.09615	2.1
139.11177	0.8
141.07034	1.2
143.08591	4.4
145.10135	11.6
147.11719	8.9
149.13290	3.6
155.08543	1.7
155.10741	2.0
157.10164	3.5
159.11720	9.0
161.13228	5.4
169.10143	0.9
171.11700	4.5
173.11757	8.8
173.13307	5.3
175.14853	1.1
177.01990	0.8
183.11732	3.0
185.13266	3.1
187.14873	3.6
197.13361	2.1
199.14876	1.9
211.14862	2.0
213.14804	1.6
259.20572	1.3
261.22168	2.6
273.22302	1.1
285.18799	1.0
285.22079	1.3
289.21616	1.1
328.61594	0.9
337.24866	0.9
377.26755	1.2
379.30002	5.2
391.28790	1.1
394.81180	0.9
397.31061	9.7
415.32202	3.0
471.34818	10.9
489.35803	100.0
490.36337	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3579
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03949	1.9
55.01880	1.7
55.05276	1.0
55.05519	14.0
57.03433	3.1
57.07084	2.4
59.04980	1.1
59.17269	1.0
65.03938	2.2
67.05510	50.7
69.07076	10.2
71.04973	2.1
79.05497	20.8
81.07063	29.7
83.04958	1.2
83.08627	7.1
85.06548	2.2
91.05489	19.3
93.07056	27.4
95.04971	2.9
95.08614	22.7
97.06535	3.2
97.10169	3.4
99.08042	1.0
99.46680	0.9
105.07042	21.0
107.08607	15.9
109.06503	1.7
109.10173	26.2
111.08067	2.7
117.07039	8.2
119.08595	23.2
121.10149	13.4
123.08127	1.2
123.11702	1.9
125.09659	1.4
129.07014	4.4
131.08582	14.8
133.10149	14.8
135.11732	7.7
137.09601	1.9
139.11177	2.2
141.06990	1.5
142.07826	1.0
143.08585	3.9
145.10126	12.8
147.11711	9.9
149.13277	4.0
155.08553	1.6
155.10643	1.4
157.10158	5.1
159.11702	9.6
161.09631	0.9
161.13303	6.0
163.14806	1.1
169.10141	1.2
171.11673	4.7
173.11766	6.5
173.13297	8.5
175.14888	2.4
183.11693	2.8
185.13303	4.7
187.14812	3.5
195.11678	0.9
197.13274	2.2
199.14880	2.6
201.16434	2.0
208.47305	0.9
213.16541	2.0
225.16441	1.1
239.18170	1.5
241.19513	1.7
243.21045	1.0
259.20648	1.5
261.22223	2.8
271.20465	1.3
273.22040	1.3
275.19971	0.9
285.22183	2.6
297.21631	1.0
299.23779	2.0
313.21356	0.8
347.25784	1.1
377.27234	1.6
379.30127	7.9
391.28458	1.2
395.54178	1.0
397.30975	11.4
402.44025	0.9
415.32129	3.0
433.33371	1.5
471.34747	12.2
489.35812	100.0
490.36279	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	19.7
53.66488	11.4
58.06596	25.7
67.05508	19.9
69.03424	15.2
69.07086	14.5
69.37954	100.0
72.08164	57.6
79.05507	30.6
81.03429	16.1
82.22852	12.0
82.91200	14.8
85.02899	33.3
91.05486	63.0
92.08723	12.6
93.07045	18.7
103.05499	14.0
105.01917	13.8
105.03434	21.7
105.07062	15.7
107.04945	17.7
109.02933	22.9
109.06538	16.0
117.45605	12.8
119.04968	15.5
126.16489	13.2
127.03925	30.2
137.05986	54.7
145.04977	15.2
147.04405	13.2
149.09668	22.1
150.09976	25.9
155.08597	15.3
170.81183	13.5
177.05547	26.2
195.10229	62.0
215.10751	38.2
242.11850	21.5
255.13872	15.5
331.32410	15.0
452.20737	16.4
470.21841	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
53.15113	1.4
55.05529	1.5
57.03436	1.8
61.02926	3.0
70.27977	1.4
71.24976	1.9
71.25318	2.4
72.08170	2.6
81.07080	2.1
83.04225	1.7
85.02910	4.8
91.03986	1.8
91.05462	1.5
93.07030	2.0
94.56577	1.6
121.10104	1.7
151.07515	3.4
159.08127	2.8
172.08835	5.0
173.05977	2.9
174.06975	1.5
174.10374	3.3
184.08839	4.4
188.08357	13.9
189.09132	3.5
203.10684	16.5
205.12259	4.9
215.10741	8.1
221.11719	1.7
233.11755	100.0
266.62027	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.358
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03948	1.9
55.05514	8.4
57.03436	2.8
57.07079	1.5
65.03948	1.0
67.05510	35.2
69.07074	8.5
71.04996	1.5
79.05503	15.6
81.07065	22.3
83.08651	5.1
85.06579	1.5
88.93044	0.8
91.05488	14.5
93.07053	21.4
95.08613	15.7
97.06540	3.0
97.10179	2.1
99.08096	1.1
105.07036	12.9
107.08604	12.3
109.10161	21.4
111.08075	1.3
117.07011	4.7
119.08588	15.8
121.10171	9.6
123.08098	1.2
123.11753	2.2
125.09665	1.5
129.07031	3.0
131.08582	10.3
133.10132	11.2
135.11687	6.2
137.09610	1.0
139.11198	2.5
141.07062	1.5
143.08577	3.5
145.10129	9.3
147.11710	8.4
149.13293	2.9
155.08629	1.2
155.10669	1.3
157.10155	4.0
159.11729	8.8
161.13292	4.0
163.14862	2.0
169.10172	2.0
171.11697	5.5
173.11754	4.5
173.13307	6.5
175.14815	2.1
183.11696	2.3
185.13327	3.4
187.14850	3.7
197.13292	2.1
199.14900	2.3
205.15730	0.9
211.14973	1.4
213.14838	2.5
225.16278	1.2
241.19601	1.0
245.19203	1.1
255.21263	1.1
257.19019	1.0
259.20682	2.4
261.22208	1.3
273.22260	1.5
275.20029	1.3
285.22293	1.4
299.23715	1.3
379.29910	7.1
391.28790	1.0
397.31009	10.6
415.32050	3.3
433.33536	1.4
471.34799	12.4
473.85724	0.9
489.35806	100.0
490.36444	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	13.3
53.99887	7.4
55.05502	8.2
57.07074	16.6
58.06596	12.8
58.81437	6.8
67.05518	12.5
69.03426	17.0
69.07069	7.6
69.97509	15.0
69.97904	15.1
70.06595	19.0
72.08157	10.8
79.05493	15.8
81.03429	35.1
81.07068	33.4
83.05006	11.8
85.02892	30.2
85.82302	6.3
87.00871	8.0
91.05494	12.7
93.07056	23.3
95.08621	10.6
97.02896	21.9
98.06061	29.3
98.21420	9.1
105.07042	16.9
107.04964	25.3
107.08566	15.6
109.02904	15.1
109.10184	14.1
119.08531	6.8
121.10167	14.6
123.11710	15.7
127.03933	22.5
131.04930	12.0
137.05992	14.8
139.14130	6.7
147.04424	7.1
147.11812	7.2
149.09506	8.9
151.07719	7.2
154.12285	18.1
161.05988	7.2
163.07559	30.0
165.09123	8.8
167.07082	21.7
177.05484	17.5
191.07053	15.4
192.07838	31.7
195.10175	69.9
210.18567	100.0
219.10196	6.7
222.18622	11.2
231.05028	8.6
240.19572	80.5
256.21469	7.0
371.11417	14.8
488.20700	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	488.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01878	0.9
55.05520	2.5
57.03437	0.6
58.06607	7.0
59.06924	1.0
61.02931	0.8
67.05497	1.4
69.03437	4.0
69.07069	2.1
70.06593	2.6
71.05000	5.8
71.52020	0.4
72.08163	1.2
73.02894	0.9
75.56631	0.5
77.35929	0.5
79.05492	5.2
81.03439	3.2
81.07063	32.4
83.04977	0.6
85.02911	8.6
86.09708	1.3
87.00847	3.2
87.08115	3.0
91.05477	1.1
93.07059	3.0
95.04961	0.9
95.08604	2.7
96.08131	0.9
97.02901	3.8
99.04466	1.2
99.08100	13.3
105.01878	4.9
105.07022	1.7
107.08605	5.1
108.24480	0.4
109.02869	3.0
109.06528	1.4
109.10158	3.7
112.07641	0.8
114.05551	1.0
114.09180	0.7
115.03143	0.6
119.02609	8.5
121.10142	1.6
123.11715	5.2
127.03241	0.9
127.03965	6.7
128.07074	0.7
133.06543	2.8
133.10144	2.8
136.03952	1.3
137.05975	0.6
143.08540	0.6
145.03996	0.6
145.05061	4.4
147.08054	0.5
149.05946	0.7
151.03906	0.7
151.07549	10.7
151.11195	4.9
153.12762	1.7
159.02887	1.6
160.09680	1.4
167.80408	0.5
169.07799	5.2
187.08867	8.0
187.10515	0.6
187.11293	0.7
205.09927	100.0
206.10187	0.5
206.72668	0.5
231.05000	2.0
249.06123	1.4
255.17500	0.5
269.08047	0.6
273.18542	2.9
291.19562	6.8
353.66962	0.5
376.41278	0.5
444.28644	0.8
453.15082	2.6
488.20697	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	488.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01861	0.8
55.05508	2.1
55.23081	0.5
57.03427	0.8
58.06605	5.5
59.06920	0.6
67.05505	1.2
68.20181	0.5
69.03432	3.2
69.07062	1.2
70.06618	2.3
70.23134	0.5
70.44173	1.2
71.04993	8.5
72.08147	2.3
73.02927	1.2
79.05508	4.1
81.03419	2.5
81.07066	31.6
83.05000	1.0
85.02914	7.5
86.09711	1.5
87.00824	2.7
87.08128	2.8
91.05490	1.4
93.07069	3.0
95.04964	1.5
95.08607	1.5
97.02884	3.6
97.06553	0.5
99.04446	2.0
99.07493	0.9
99.08105	13.3
105.01881	4.8
105.07027	0.9
107.08615	4.6
108.04468	0.6
109.02882	3.3
109.06535	1.1
109.10167	3.6
112.07648	0.8
115.03107	0.7
119.02617	9.6
119.08572	0.5
123.11718	4.8
127.03091	0.8
127.03926	6.0
128.07140	0.6
131.08617	0.5
133.10146	2.8
144.91656	0.5
145.04031	1.1
145.05115	2.3
151.11206	4.3
158.30818	0.4
159.02917	1.1
160.07626	0.9
169.07806	4.5
187.08867	9.6
205.09930	100.0
206.10335	0.6
211.81369	0.5
231.04959	2.3
249.06099	1.0
308.22235	1.0
326.23206	1.6
350.89072	0.5
417.13144	0.7
435.14377	0.8
443.15305	0.5
453.15192	5.7
488.20914	4.0
488.27133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.2
55.01871	12.6
55.05515	26.2
56.36401	4.7
57.03437	6.7
57.07076	9.4
59.89283	4.6
67.05498	16.2
69.03430	45.6
69.07084	71.2
70.06567	9.6
71.04981	19.2
71.52415	5.7
71.52846	8.7
73.02906	4.6
76.02223	7.8
79.05489	23.7
79.69827	4.6
81.03419	32.1
81.07068	76.8
83.04996	6.7
83.08615	24.3
84.08144	9.7
85.02914	55.7
85.06539	9.5
87.00827	19.4
91.05499	27.2
93.07063	60.1
95.05022	9.6
95.08622	67.6
97.02894	23.8
97.06535	30.0
99.04459	14.9
99.08067	8.5
105.01874	18.3
105.03371	20.6
105.07043	47.2
107.04983	8.9
107.08599	57.9
109.02901	25.7
109.06523	8.8
109.10168	57.6
111.04456	5.5
111.08078	8.1
111.11742	13.2
115.03944	11.7
116.30407	6.7
117.07013	8.2
119.05058	5.6
119.08606	57.5
121.02856	7.7
121.06509	21.5
121.10155	27.9
123.08060	17.6
123.11707	23.6
125.09681	6.1
125.13291	29.8
127.03902	33.9
127.11197	14.9
131.08553	10.9
133.06454	9.0
133.10155	34.9
135.04352	7.4
135.08099	5.8
135.11716	52.3
137.05968	13.6
137.09634	6.8
137.13260	6.9
139.11179	8.8
141.07054	5.2
143.08556	9.0
143.10666	7.1
145.04942	8.6
145.06516	8.2
145.10162	19.0
147.04385	8.8
147.11673	32.4
149.13298	29.4
151.07573	23.5
153.12744	24.8
157.10156	14.1
159.02873	10.2
159.08092	6.6
159.11707	16.7
161.05983	6.8
161.09613	6.7
161.13272	16.4
163.03883	8.8
163.07527	7.6
163.11157	6.0
165.09116	15.2
171.11867	6.6
172.08934	5.9
173.09599	7.0
173.13335	7.8
174.20738	5.3
175.07500	6.2
175.14778	7.7
177.05399	7.7
179.07069	9.2
187.07471	7.2
188.08319	6.3
189.09097	14.9
201.09103	15.3
203.10703	15.7
203.17963	45.4
205.08708	7.4
205.19548	6.7
215.10635	7.4
221.19002	100.0
223.20551	7.0
231.05028	5.7
231.10078	8.1
233.08098	5.6
239.20076	14.6
242.11833	14.0
255.10199	13.6
259.09482	6.9
260.10358	5.3
307.09650	5.2
314.31943	5.5
337.14709	8.1
340.17712	7.0
346.55740	5.3
439.17532	27.8
451.17462	14.5
469.18903	9.2
473.48404	5.4
487.20004	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36732	8.2
53.03934	14.7
55.01875	12.2
55.05511	42.8
56.96544	9.0
57.03420	16.5
57.07076	26.2
59.25637	7.5
61.02905	9.2
67.05491	32.8
67.29975	7.3
69.03419	29.7
69.07064	51.8
71.04979	32.7
71.25507	11.0
73.02905	9.4
79.05495	35.9
81.03416	27.2
81.07064	79.1
83.08617	40.8
85.02917	61.4
87.00815	24.2
87.04420	9.3
91.03957	8.0
91.05478	40.9
93.07044	91.6
95.04990	16.7
95.08610	85.7
97.02893	31.0
97.06560	18.4
97.10153	11.6
98.97565	9.5
99.08071	17.6
105.01887	14.2
105.07027	31.7
107.04942	10.7
107.08598	100.0
109.02880	19.8
109.10125	37.4
115.03938	15.5
117.06975	10.3
119.08562	30.4
121.06469	11.5
121.10155	43.5
122.07320	7.8
123.08067	16.9
123.11684	46.1
127.03915	33.4
129.06985	7.5
131.08583	14.8
133.10086	18.5
135.11688	95.1
137.09631	10.1
137.13283	14.2
139.07707	10.4
143.10733	9.2
145.04977	11.7
145.10146	9.2
147.11696	23.6
149.05904	11.7
149.13281	70.1
151.07539	71.4
153.12750	26.8
157.10115	15.5
159.11742	14.5
161.13249	10.8
163.14841	9.3
172.08824	10.6
183.08096	8.8
189.09119	28.9
203.10747	9.4
203.17999	37.1
205.19525	28.3
215.51811	8.1
221.18985	69.2
239.39046	8.2
241.15891	9.1
323.10547	9.8
449.42935	8.6
487.09952	17.3
487.30518	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	487.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	0.6
69.03430	0.4
69.07063	0.3
70.06596	1.8
72.08166	0.5
79.05495	0.6
81.07076	0.7
83.04987	0.4
84.08151	0.4
85.02901	0.3
86.09711	3.6
87.55576	0.3
91.05488	0.7
95.04997	0.4
95.08597	0.7
96.45294	0.3
97.06552	0.7
99.08105	0.4
105.07045	1.0
107.04972	0.6
112.78613	0.3
117.06971	0.3
119.08605	0.5
123.08036	0.5
133.06520	0.6
139.03894	0.5
143.08527	0.4
145.06493	0.5
149.06017	0.5
151.07581	1.8
161.06038	0.9
163.03914	0.5
165.59743	0.3
172.08858	0.5
175.07510	0.6
176.08276	0.6
177.05540	0.4
177.09233	0.5
177.94121	0.4
179.07050	0.7
187.07538	0.6
188.08336	0.3
189.09047	1.8
199.18062	0.5
201.05362	0.3
201.09076	1.7
203.05359	0.4
203.10690	1.0
205.08545	0.4
213.09210	0.3
215.07059	0.5
215.10620	0.3
229.15637	0.4
233.08066	0.8
241.08771	0.5
243.10307	0.4
253.08636	0.4
255.10284	1.5
269.08093	1.0
275.07452	0.5
335.09464	8.8
355.17444	1.6
421.16528	1.1
433.16660	0.6
439.17548	4.1
451.17560	1.6
469.18460	0.7
487.21545	100.0
488.21616	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	487.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.6
55.05505	26.8
57.03434	7.7
57.07078	7.7
67.05518	37.3
69.03439	38.0
69.07071	37.5
69.80006	18.8
71.04984	29.9
71.09820	5.1
76.02200	6.8
79.05489	30.9
81.03412	25.3
81.07065	97.2
83.04975	10.4
83.08631	18.3
84.04507	6.9
85.02922	69.2
87.00835	32.8
91.05488	27.0
93.07056	63.8
95.04991	12.8
95.08620	79.5
97.02894	26.5
97.06523	15.6
97.10159	6.3
99.04446	14.2
99.08114	11.7
105.01855	19.8
105.07044	56.6
107.08593	90.0
109.02872	12.3
109.06526	9.7
109.10175	61.4
112.59308	5.3
115.04005	8.6
119.08582	91.8
121.10201	28.8
123.08068	17.7
123.11719	43.4
125.09615	11.1
127.03898	33.6
127.11204	24.7
131.08553	8.3
133.10143	54.1
135.04401	5.9
135.11691	100.0
137.05998	8.0
137.13313	13.1
143.08542	8.1
143.10747	8.7
145.04953	15.6
145.10097	14.7
147.11674	40.0
149.05928	6.5
149.13240	32.9
151.07599	8.7
153.12735	12.8
157.63385	6.5
159.11687	16.2
161.09644	6.3
161.13264	32.2
163.02602	6.8
163.03979	8.2
163.14796	9.7
179.04892	7.5
179.14317	11.3
180.14717	11.1
189.09128	17.3
201.09158	9.1
203.10814	7.3
203.17960	88.3
205.19655	11.1
221.19083	47.5
231.05064	7.1
255.10225	9.7
260.09982	14.6
439.17535	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	487.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01865	2.2
57.03426	1.5
59.71397	0.6
69.03085	1.0
69.03435	13.3
70.06600	3.6
71.01354	1.0
71.04993	4.1
72.08144	1.3
73.02895	0.6
75.85022	0.6
79.94173	0.8
81.02991	1.0
81.03423	14.1
81.07040	0.8
84.08143	2.1
85.02901	2.5
85.95351	0.7
86.09698	3.0
91.05476	0.9
99.04457	6.5
117.05478	1.3
118.06557	3.0
119.04903	0.8
119.08601	1.2
127.03894	1.1
131.04898	0.7
137.51813	0.6
145.07605	5.4
147.09169	5.4
151.26443	0.8
161.09558	0.8
163.03973	0.8
163.08661	1.2
172.77686	0.6
173.07112	8.7
175.08694	7.4
184.07327	1.3
191.08165	100.0
202.04327	0.7
203.10670	0.9
221.11722	1.5
289.11807	1.4
295.05957	1.0
307.12915	29.2
325.13956	87.7
326.14175	0.7
373.06833	0.7
487.10510	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2078
Annotation	Pauciflorine B
Peak:m/z	Relative Intensity
51.05161	0.3
53.03962	0.3
55.01862	0.3
56.05036	0.4
58.06607	100.0
59.05005	0.8
61.93737	0.3
65.03938	0.3
68.96879	0.2
69.03439	0.4
70.06601	1.1
71.52628	0.4
71.53056	0.3
72.08161	0.6
74.68844	0.2
77.42599	0.2
78.72180	0.3
81.03432	1.2
83.54313	0.3
84.08150	1.1
85.02927	1.2
86.09715	2.7
95.04984	0.6
97.02901	0.6
105.07065	0.6
107.04929	0.6
109.02922	0.5
111.04463	0.3
115.05484	0.9
117.05769	0.4
121.02007	0.6
121.02884	11.1
127.03988	0.6
129.05525	0.7
129.10274	0.6
130.05022	0.4
130.06561	0.4
132.08109	1.5
133.06519	0.4
135.04448	0.5
139.03957	0.8
141.06540	0.3
146.06059	0.8
147.04456	3.4
147.05547	0.4
147.06654	0.3
147.07726	0.4
151.03941	0.7
155.09015	0.3
156.50089	0.3
160.07594	20.0
161.48100	0.2
162.46576	0.3
163.03918	0.7
177.46107	0.3
179.03407	0.8
202.08690	0.3
205.13429	3.5
228.13487	0.6
241.17996	0.3
252.10338	0.4
262.08649	0.5
265.07358	0.5
280.09702	7.3
292.09821	0.4
322.10849	0.5
358.10699	0.3
424.13794	0.4
442.15067	2.7
487.20816	37.5
488.20950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48620	16.1
70.82607	26.7
70.82954	43.5
109.27895	18.7
137.05975	54.3
150.77939	21.3
151.07523	53.2
164.02760	21.9
175.07573	75.0
179.03992	21.0
187.07590	20.6
189.09167	100.0
201.09079	32.6
205.08670	22.3
249.92825	21.9
416.79932	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	487.0834
Annotation	Tjipanazole E
Peak:m/z	Relative Intensity
55.01870	1.2
55.05505	2.5
57.03441	0.9
58.06605	22.6
66.51234	0.7
67.05501	1.9
69.03431	1.7
70.06595	5.9
71.53732	0.8
72.08171	4.3
79.05505	1.6
81.03406	1.1
81.07059	1.4
84.08161	1.8
85.02911	2.8
86.09713	4.4
91.05497	6.0
92.05816	1.5
93.07063	2.0
95.08595	0.8
96.34122	0.7
97.02891	1.5
100.11266	1.3
105.07062	1.3
107.04980	1.2
110.07250	0.7
114.05527	1.6
117.07032	1.0
119.04999	1.6
120.04494	0.8
120.05305	1.2
121.10120	0.9
123.11702	1.5
125.08050	0.9
129.06940	0.8
131.08575	3.0
132.08919	1.3
134.06033	0.8
135.04436	0.8
137.05978	1.1
139.03896	0.9
145.02881	0.8
151.03989	1.1
159.08057	2.3
160.07501	1.1
160.85037	0.7
163.03941	3.2
168.58162	0.8
173.09615	0.8
185.04247	10.4
187.07541	1.2
188.07901	1.4
195.91817	0.8
197.26141	1.1
200.03984	0.9
236.12338	1.0
236.62627	2.1
254.05702	1.1
254.13554	4.0
254.63673	4.9
255.13626	2.2
258.14984	3.3
259.15204	4.0
269.08295	2.2
277.16382	2.4
324.02466	8.3
325.03241	7.5
455.34760	1.5
469.18716	4.4
487.08527	100.0
487.20096	15.8
488.08658	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	486.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	0.3
68.05794	0.2
69.03422	0.4
70.06594	0.5
71.51520	0.5
73.09696	0.2
82.06577	0.6
84.08135	0.9
85.02888	0.5
86.09713	0.5
88.99550	0.3
97.02849	0.3
98.06077	0.3
98.97604	0.3
105.07062	0.4
115.05469	1.8
117.05814	0.5
127.03919	0.3
128.07095	1.3
130.06422	0.2
130.08705	0.4
132.08105	3.3
133.06485	0.8
135.04398	0.4
136.06268	0.3
142.06558	0.6
146.06001	0.3
148.07608	0.3
148.09698	2.5
159.06787	0.6
160.07594	100.0
161.07939	2.5
162.05515	0.3
163.03937	2.1
177.10245	18.9
178.10567	0.3
266.59009	0.3
293.63992	0.2
324.14444	0.3
332.25870	0.2
405.71692	0.3
486.22211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06589	0.7
69.29466	1.6
69.29897	0.9
70.06598	0.7
76.02219	0.4
81.03389	0.3
84.08147	0.8
85.02901	1.0
86.09725	0.3
89.03908	0.5
96.80759	0.3
98.97598	0.7
105.07025	0.3
109.02836	0.3
115.05469	1.7
116.07076	0.4
117.05769	0.7
118.08643	0.4
119.06138	0.3
123.04427	0.3
128.07101	0.5
130.08655	0.3
132.08093	4.0
132.10216	0.4
133.06445	1.0
133.08470	0.4
135.04449	0.5
142.06538	0.5
145.02859	0.3
145.52084	0.3
148.09697	1.7
158.99725	0.3
160.07588	100.0
161.07933	8.4
162.05443	0.5
163.03935	2.8
177.10242	19.9
178.10576	1.1
179.04868	0.4
191.03999	0.6
231.68169	0.3
243.14061	0.3
420.77325	0.3
468.14993	0.3
486.17358	0.3
487.17337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01868	1.2
55.05519	7.9
56.05031	1.0
57.03438	1.3
57.07072	1.4
58.99334	1.4
58.99593	15.0
61.01170	1.1
65.03915	1.4
65.96205	0.9
67.05511	29.7
69.03419	2.7
69.07087	5.9
69.28918	1.7
69.29324	6.0
71.04993	1.2
72.08147	1.3
76.02237	55.3
76.04000	3.0
79.05505	8.5
80.05020	1.4
81.07066	27.2
83.05000	1.8
83.06090	3.3
83.08613	3.1
84.04055	1.5
84.04517	18.8
84.08149	1.3
85.01113	1.5
85.02896	1.6
85.06514	1.2
86.99047	4.5
87.02702	1.4
88.02208	1.3
91.05494	6.3
91.05984	1.3
93.07054	9.7
95.04983	3.2
95.08617	42.0
97.06542	11.2
99.05567	1.1
105.07045	9.1
107.08597	6.7
109.06516	3.7
109.10171	25.9
113.04247	1.7
116.01694	20.8
117.03321	0.9
117.06992	1.1
119.08585	10.4
121.10169	5.1
123.08085	4.8
123.11676	1.0
129.06622	3.8
130.05031	6.3
130.06873	2.6
133.10153	4.1
134.05995	2.5
134.09662	2.1
135.11711	2.2
137.05989	1.1
137.09601	3.8
139.05780	1.6
142.03218	4.9
144.01161	10.6
145.06059	1.4
145.10149	1.5
147.04414	1.5
151.07562	1.8
151.14838	17.9
154.92783	0.9
156.12605	0.9
157.10057	1.4
161.13260	9.3
162.02223	35.9
163.03943	6.0
170.02716	2.5
173.02344	1.8
178.15936	1.1
179.04872	100.0
179.14325	34.6
185.13371	1.1
187.05374	2.9
193.09727	1.9
211.07175	0.8
215.05054	1.3
215.07050	3.9
216.03319	1.0
216.06995	2.1
230.41881	0.9
233.05957	15.9
233.09523	1.0
236.14708	2.1
237.13055	1.7
245.05894	2.1
254.15633	1.0
259.09686	17.1
290.07755	1.0
290.17709	0.9
291.06311	1.5
308.05560	0.9
308.09128	19.1
324.19290	3.0
339.13651	1.2
339.17441	14.5
339.42505	1.0
340.15833	1.5
357.18506	1.6
393.18222	1.9
411.19574	20.4
423.19049	0.9
468.21606	7.9
486.22781	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	486.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01868	1.2
55.05519	7.9
56.05031	1.0
57.03438	1.3
57.07072	1.4
58.99334	1.4
58.99593	15.0
61.01170	1.1
65.03915	1.4
65.96205	0.9
67.05511	29.7
69.03419	2.7
69.07087	5.9
69.28918	1.7
69.29324	6.0
71.04993	1.2
72.08147	1.3
76.02237	55.3
76.04000	3.0
79.05505	8.5
80.05020	1.4
81.07066	27.2
83.05000	1.8
83.06090	3.3
83.08613	3.1
84.04055	1.5
84.04517	18.8
84.08149	1.3
85.01113	1.5
85.02896	1.6
85.06514	1.2
86.99047	4.5
87.02702	1.4
88.02208	1.3
91.05494	6.3
91.05984	1.3
93.07054	9.7
95.04983	3.2
95.08617	42.0
97.06542	11.2
99.05567	1.1
105.07045	9.1
107.08597	6.7
109.06516	3.7
109.10171	25.9
113.04247	1.7
116.01694	20.8
117.03321	0.9
117.06992	1.1
119.08585	10.4
121.10169	5.1
123.08085	4.8
123.11676	1.0
129.06622	3.8
130.05031	6.3
130.06873	2.6
133.10153	4.1
134.05995	2.5
134.09662	2.1
135.11711	2.2
137.05989	1.1
137.09601	3.8
139.05780	1.6
142.03218	4.9
144.01161	10.6
145.06059	1.4
145.10149	1.5
147.04414	1.5
151.07562	1.8
151.14838	17.9
154.92783	0.9
156.12605	0.9
157.10057	1.4
161.13260	9.3
162.02223	35.9
163.03943	6.0
170.02716	2.5
173.02344	1.8
178.15936	1.1
179.04872	100.0
179.14325	34.6
185.13371	1.1
187.05374	2.9
193.09727	1.9
211.07175	0.8
215.05054	1.3
215.07050	3.9
216.03319	1.0
216.06995	2.1
230.41881	0.9
233.05957	15.9
233.09523	1.0
236.14708	2.1
237.13055	1.7
245.05894	2.1
254.15633	1.0
259.09686	17.1
290.07755	1.0
290.17709	0.9
291.06311	1.5
308.05560	0.9
308.09128	19.1
324.19290	3.0
339.13651	1.2
339.17441	14.5
339.42505	1.0
340.15833	1.5
357.18506	1.6
393.18222	1.9
411.19574	20.4
423.19049	0.9
468.21606	7.9
486.22781	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	486.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
56.05048	0.7
58.06609	100.0
59.05011	0.7
65.03960	1.2
65.53577	0.5
69.03436	2.0
70.06600	13.1
70.06958	1.1
71.05013	0.8
71.51810	0.6
72.08167	1.0
75.83549	0.5
80.05058	1.1
81.03418	4.7
84.08162	0.7
85.02926	2.8
86.09737	0.6
92.05036	2.1
93.03441	1.6
93.20875	0.5
94.06604	1.0
97.02895	0.9
99.04487	0.8
104.43571	0.6
105.05847	0.6
106.06602	0.6
108.02129	0.6
109.02916	2.4
110.09698	11.0
111.04447	0.5
115.05499	0.9
120.04485	39.7
125.06034	1.2
128.07091	0.7
128.10732	26.7
132.08115	0.9
133.05330	1.5
135.85931	0.5
138.05519	2.8
141.05421	0.7
146.06094	1.4
147.04492	1.6
150.05559	0.7
151.03929	43.3
154.05011	4.6
156.10226	17.6
160.07603	12.0
160.08839	0.8
164.07147	1.4
169.05074	2.2
174.11282	66.6
191.08195	3.0
205.13403	7.1
238.21523	0.6
238.70839	0.5
264.08875	1.8
279.11322	19.2
279.32794	0.6
280.08429	0.6
282.09995	1.8
295.08310	1.5
307.13278	0.5
313.09439	1.4
321.12360	0.7
325.13867	2.7
396.64081	0.6
441.16998	0.5
486.22540	51.8
487.23029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
56.45317	0.2
56.71964	0.2
57.01994	0.2
58.06613	0.2
65.03941	0.3
70.06590	0.3
70.84175	0.4
77.03942	0.2
79.05495	2.1
85.02915	0.5
91.05491	4.3
95.04948	0.4
97.02901	0.2
103.27604	0.2
105.03391	0.3
106.04141	0.2
106.06564	7.9
107.04958	0.2
109.06520	0.4
115.05430	0.2
116.04984	6.4
118.06565	0.2
119.06158	0.4
132.04460	0.4
132.08107	0.4
134.06024	100.0
135.06377	0.6
146.06064	0.2
148.07565	1.5
151.03973	0.2
154.05016	0.4
160.07593	17.6
165.10255	1.6
174.05377	0.2
181.79335	0.2
191.11807	2.4
217.09694	0.9
237.73572	0.2
281.12964	0.2
306.15997	1.6
324.17081	43.2
325.17279	0.5
327.90308	0.2
428.38324	0.2
450.20587	0.3
468.21432	0.2
486.22211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.0
61.52791	3.0
66.64363	2.8
67.05504	11.0
67.05855	2.6
67.68831	2.8
69.07062	8.3
71.04985	4.3
71.53419	4.6
72.08156	3.4
79.05505	25.5
81.07063	80.2
83.04975	2.8
83.08621	4.5
85.06559	5.1
91.05489	17.7
93.07057	18.7
93.49530	2.6
95.04974	3.2
95.08595	17.0
97.06564	3.0
99.04471	6.9
104.78438	3.0
105.07037	22.0
107.08602	27.2
109.06523	31.0
109.10168	7.5
117.07024	8.8
119.08593	34.9
121.10150	9.2
123.08038	4.4
123.11696	2.7
125.09669	2.4
129.07001	4.7
131.08574	13.3
133.10141	28.5
135.08076	12.9
135.11690	9.7
136.30594	2.7
143.08568	12.1
143.09662	2.8
145.10156	14.8
147.11717	10.9
149.09618	27.3
151.11156	2.7
155.02988	3.0
155.08502	3.9
156.09344	3.0
157.10155	14.5
159.11775	15.1
161.09669	15.3
161.13301	8.1
163.11258	5.2
169.10112	4.5
171.11713	11.3
173.09628	5.2
173.13271	9.7
175.11218	9.7
179.10741	3.8
183.11665	6.7
185.13297	12.0
187.11238	3.6
187.14862	3.5
189.12729	5.9
191.10672	3.4
193.12263	8.9
195.11757	4.5
197.13277	6.6
199.11124	3.0
199.14886	4.0
203.14366	6.4
205.12248	4.5
209.13348	6.0
211.14857	3.8
215.14285	3.1
217.12355	3.4
219.13907	3.2
221.13293	4.0
223.14850	7.1
225.16376	3.4
233.15485	5.3
235.16986	3.6
245.15346	7.0
245.19049	6.4
247.16968	6.1
249.16420	3.1
251.18063	3.4
275.18051	4.1
287.20065	5.6
335.23746	5.1
353.20901	7.5
353.24942	7.2
377.24805	8.6
395.25867	29.0
413.26886	100.0
467.31400	11.0
485.32861	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	485.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.5
56.01075	0.6
57.03444	8.2
57.07080	25.8
67.05520	4.9
69.07072	4.2
69.20084	0.6
70.57891	2.1
71.08241	0.8
71.08635	15.0
71.29317	0.6
73.15417	0.6
75.04450	0.7
81.07064	5.9
81.89371	0.7
83.08618	4.5
85.10195	10.3
87.04475	7.8
89.06036	1.6
93.07070	0.6
95.08619	9.3
96.03783	0.6
97.10181	2.1
98.98484	5.0
102.24393	0.6
103.07574	1.2
109.10182	4.4
111.11733	1.0
123.11712	1.8
135.96681	0.8
155.01054	3.3
173.71230	0.6
239.23781	1.6
257.24924	1.4
307.28610	0.6
313.27377	100.0
314.14966	0.8
314.27652	1.5
434.87540	0.7
449.26425	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	14.7
55.01869	7.3
55.05508	17.7
57.03433	13.0
61.02926	11.9
67.05515	40.0
68.20331	4.3
69.03438	46.2
69.07077	19.8
70.06601	13.3
71.05000	20.2
71.52203	4.9
73.02917	3.9
79.05496	33.6
81.03430	38.2
81.07063	65.0
81.17983	4.3
83.04983	26.6
83.08629	9.2
84.08122	7.1
85.02425	8.4
85.02915	89.0
85.06552	9.3
86.09665	6.4
87.00835	42.6
90.71625	4.5
91.05482	47.5
93.07057	66.4
95.04982	17.5
95.08607	47.2
97.02902	35.9
97.06544	13.1
97.10106	4.7
99.04463	15.2
105.01883	53.7
105.07047	73.0
107.08607	48.2
109.02898	25.4
109.06532	10.7
109.10171	51.4
111.08081	7.6
115.05449	5.1
117.07015	20.7
119.01854	4.5
119.04976	5.2
119.08591	52.0
121.06504	12.5
121.10166	43.1
123.11706	8.3
125.09684	7.2
127.03923	68.2
127.11180	5.7
128.06224	4.6
129.01857	5.8
131.08589	30.4
133.06596	5.9
133.10153	60.7
135.08090	5.6
135.11694	19.8
137.05971	9.4
137.09628	10.3
143.08574	12.4
145.04939	17.6
145.06500	20.2
145.10143	52.4
147.08072	19.4
147.11723	24.8
149.09633	7.1
149.13326	5.3
151.03969	6.0
153.12642	5.6
155.08571	10.3
157.10233	4.4
159.02882	5.7
159.08047	9.8
159.11691	33.5
161.09636	10.1
161.13277	10.6
163.11185	10.2
165.09091	8.1
171.08058	20.7
172.08759	5.0
173.09660	29.0
173.13182	10.1
175.11212	24.1
175.14842	5.0
183.07979	6.1
187.07539	5.0
187.11311	7.7
189.03896	4.9
189.09081	4.5
191.10674	4.9
191.17987	7.4
199.11195	18.0
199.14830	4.7
201.09187	4.3
201.12773	15.8
201.16466	35.5
215.10698	14.6
217.12471	5.2
219.10226	7.0
219.13835	51.6
219.17435	36.9
220.25870	5.1
225.12744	5.6
229.08344	4.7
231.04912	10.6
231.13823	6.3
237.18515	27.5
237.90871	4.6
243.13934	23.3
259.13205	4.6
261.14886	48.2
273.11237	12.5
277.14380	6.6
285.14926	7.3
305.17557	10.7
316.14001	5.2
327.15945	20.6
345.13165	5.0
345.17041	12.2
365.06531	6.6
441.24051	17.2
468.38086	4.6
468.73306	5.0
485.24304	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	19.4
55.01876	12.7
55.05519	15.7
57.03434	10.0
57.07072	4.0
57.99171	3.8
61.02925	11.2
67.05504	25.8
68.99810	3.9
69.03441	54.3
69.07071	21.9
69.68161	25.7
70.06589	8.4
70.57401	4.2
71.05004	30.7
72.08138	4.8
76.54704	4.0
79.05503	37.8
81.03429	55.0
81.07063	100.0
83.04990	10.3
83.08632	6.5
84.08118	6.1
85.02918	90.4
86.09698	5.4
87.00842	42.9
91.05470	37.4
93.07056	60.8
95.04982	15.4
95.08604	43.7
97.02903	36.7
97.06545	15.1
99.04465	23.4
99.08128	11.7
105.01879	33.9
105.07041	82.9
107.04980	7.2
107.08608	60.3
109.02891	40.8
109.06525	15.9
109.10171	52.5
111.08096	8.9
117.01862	5.9
117.07031	13.5
119.08587	59.0
121.06509	11.2
121.10152	45.4
123.08117	7.7
123.11732	24.0
125.09643	14.4
127.03925	60.4
127.07610	5.1
127.11215	12.4
129.01834	5.7
129.07008	4.8
130.07797	8.1
131.08534	22.5
133.10135	53.2
135.08046	7.5
135.11711	15.7
137.09618	8.8
139.04034	4.6
143.08560	9.1
143.10698	10.2
145.04953	17.8
145.06505	12.5
145.10141	42.3
147.08073	16.9
147.11708	63.3
149.13263	12.0
151.11221	18.8
153.12753	4.5
155.08641	7.1
155.10710	8.7
157.10205	7.3
157.67964	4.9
159.02893	16.3
159.08087	7.5
159.11708	30.9
161.13290	19.5
163.07477	4.4
163.11235	15.6
165.09094	6.1
171.08087	19.4
171.11743	6.0
173.09596	21.9
173.13243	7.5
175.11238	18.1
175.14848	7.0
187.11247	6.4
191.10738	7.3
191.18005	8.7
199.11180	8.3
201.12769	11.2
201.16426	40.6
207.08180	4.8
215.10744	11.9
217.12302	5.8
219.13948	27.2
219.17430	52.5
225.12883	7.6
231.05045	10.7
237.14825	8.2
237.18512	23.9
243.13802	14.1
243.17447	5.9
259.04593	8.2
261.14789	35.1
273.11249	7.5
296.42093	5.0
309.14734	5.3
327.15942	12.7
345.17020	6.5
359.31946	4.5
374.73059	4.5
410.26883	5.3
467.23074	8.3
485.22995	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	485.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.9
54.30547	0.9
55.01876	4.1
55.05514	5.0
57.03440	3.1
57.07073	1.5
59.05002	1.0
61.02912	1.4
67.05513	7.8
68.99793	1.4
69.03439	15.7
69.07071	4.6
69.27892	1.1
70.06602	1.7
70.19762	3.0
70.20163	1.9
71.05002	13.2
73.02932	1.7
79.05503	10.2
81.03426	11.7
81.07060	17.6
81.08384	1.1
83.04967	3.1
85.02433	2.1
85.02915	26.3
85.06564	1.4
87.00845	10.0
91.05488	23.5
93.07058	22.3
95.04983	4.9
95.08610	15.2
97.02901	8.8
97.06545	4.2
99.04460	3.9
99.08106	2.0
101.02400	1.1
103.03893	1.2
103.05499	1.8
105.01878	6.3
105.07043	52.5
107.08617	18.7
109.02901	9.0
109.06522	3.5
109.10158	12.6
111.04416	1.3
111.08061	2.1
113.09651	2.1
115.03936	1.8
115.05446	2.5
117.07052	7.3
119.08591	16.5
121.06528	3.3
121.10165	14.5
123.04494	1.4
123.08105	3.5
123.11732	5.8
125.09647	15.8
127.03926	15.7
127.11189	5.4
129.01834	1.8
129.07048	1.5
131.05128	1.1
131.08580	15.6
133.10149	100.0
135.08095	1.5
135.11690	5.9
137.06052	1.7
137.09613	4.1
139.07614	1.2
139.11200	1.8
143.08586	4.4
143.10721	2.7
144.09424	1.4
145.04971	3.4
145.10143	14.9
147.04515	1.6
147.11700	14.2
149.09648	2.1
149.13281	3.6
151.11214	2.8
154.15671	1.0
155.08543	1.7
157.10184	4.0
159.02917	3.5
159.07980	1.0
159.11700	15.5
161.09718	1.9
161.13269	4.9
163.07613	1.1
163.11163	1.5
165.12785	1.6
167.08467	1.0
169.10217	1.4
171.11732	2.6
173.09648	1.3
173.13289	3.2
174.68759	1.0
175.11188	1.9
175.14835	1.8
177.12851	1.2
183.11678	1.7
185.13261	1.1
187.11168	1.1
191.17990	1.6
195.11752	1.6
197.13321	1.3
201.16389	17.2
203.18053	1.4
213.12802	2.2
217.15843	1.6
219.17465	30.1
226.96466	1.1
231.05026	3.1
234.44043	1.0
237.18509	7.1
241.12114	1.2
265.08643	2.5
309.18527	1.2
327.19345	2.0
401.20178	1.2
431.20743	1.9
449.21420	1.4
467.22675	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	485.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	0.7
58.06593	0.5
59.06480	0.2
69.03443	0.3
70.06597	0.7
70.20892	0.5
70.21284	0.5
73.23476	0.3
84.08119	0.3
84.12865	0.2
85.02908	0.6
97.02873	0.3
98.97596	1.5
105.07033	0.8
110.07175	0.4
110.72115	0.3
110.97546	0.7
113.44582	0.3
115.05458	2.6
116.98624	0.5
117.05745	1.2
118.06516	0.2
118.08660	5.7
119.09006	1.3
128.98615	0.4
132.08093	3.5
133.06511	0.7
134.05946	0.3
142.06508	0.3
143.00150	0.5
143.07326	0.3
148.07587	0.5
158.99738	0.3
159.06818	0.5
160.07585	100.0
161.01253	0.5
161.07951	1.4
163.03897	1.8
170.99680	0.5
174.05157	0.3
175.11882	0.3
177.00717	0.4
177.10240	16.4
179.02284	0.3
182.99696	0.3
185.01213	0.5
195.86630	0.3
201.00717	0.5
203.02356	1.2
219.01823	1.0
221.03265	0.5
235.01320	0.2
237.02914	0.6
245.03494	0.5
261.02908	0.9
279.03867	0.3
305.05472	1.1
321.04959	0.5
323.06473	2.0
365.07727	0.8
485.11975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
53.36518	0.8
55.01872	2.3
57.03436	2.3
59.41240	0.9
65.03955	0.9
67.05508	2.4
68.99788	1.3
69.03427	2.8
69.07071	1.9
69.30357	7.4
77.03974	1.0
79.05494	4.7
81.03423	5.9
81.07066	2.7
83.04997	1.8
85.02908	1.1
85.06561	1.6
91.05489	4.1
93.03377	1.2
93.07037	2.0
94.81104	0.8
95.04979	2.7
95.08634	1.5
97.06533	3.1
105.07027	3.2
107.04973	6.4
107.08604	1.4
108.05770	1.3
109.02921	2.0
109.06535	1.8
109.10127	1.1
115.05460	2.2
117.07037	2.7
119.04967	1.2
119.08545	0.9
121.02902	1.1
121.06508	3.7
121.10133	1.3
123.04436	2.8
124.05192	1.0
128.06265	2.0
129.07057	2.4
131.04956	2.4
131.08594	1.6
132.05753	0.9
133.06490	1.8
133.10121	1.4
135.04448	3.3
135.08092	1.7
136.05202	3.4
137.05983	1.6
139.03911	8.4
139.07536	2.1
141.07011	1.4
144.05792	1.0
145.06497	7.0
145.10147	1.0
146.07271	3.6
147.04414	2.3
147.08049	1.6
149.05998	2.8
151.03964	3.0
151.07553	100.0
153.01811	2.4
154.07672	1.1
157.06509	4.9
158.07353	4.0
159.04440	1.6
159.08066	4.2
160.05275	1.6
160.08881	5.3
161.06041	5.7
161.09633	5.2
162.06815	0.9
163.03958	1.3
163.07587	2.2
165.01883	4.0
165.05496	8.2
165.06744	1.1
165.09087	2.0
167.07040	1.7
171.08057	3.7
172.08832	6.7
172.30351	0.9
173.06007	5.6
174.06795	9.2
175.03885	1.2
175.07536	7.1
176.08365	3.5
177.05516	3.7
177.09152	9.1
179.07092	1.9
183.08069	1.2
186.06801	2.6
187.07576	4.6
188.08319	11.4
189.05527	3.1
189.09117	40.2
191.07048	37.4
191.08862	1.5
191.10672	8.0
193.08646	2.8
199.07639	1.7
200.04839	1.1
201.09120	58.7
202.09912	7.0
203.07047	2.6
203.10687	29.3
205.05023	1.6
205.08588	1.7
207.06543	8.1
211.07607	1.0
213.05502	1.2
213.09109	3.0
215.07072	1.8
215.10669	1.0
217.08615	7.0
217.11990	0.9
219.08244	1.0
219.10172	26.6
220.10883	0.9
225.09302	1.1
229.08586	5.6
231.10158	11.1
232.08949	1.0
232.11040	1.9
233.08180	2.5
235.06076	2.9
235.09755	3.0
236.09956	0.9
241.08565	3.3
243.10211	2.5
247.07845	1.0
248.08447	1.1
249.11214	11.8
259.09750	2.8
261.11353	0.9
263.07071	1.5
263.10657	1.3
267.10172	1.3
271.09637	1.1
277.08621	3.1
278.09515	1.2
279.07367	0.9
279.10175	2.0
285.11163	1.1
287.12949	1.5
289.10699	4.1
291.10281	2.0
295.09631	1.5
305.08386	1.1
305.11624	1.0
306.09201	1.3
307.09689	2.3
307.13129	1.0
308.10580	0.9
309.11145	2.2
319.09625	1.6
320.11142	1.1
321.11200	2.5
322.11960	1.0
323.12741	1.5
335.12781	3.3
337.10745	2.1
338.11383	1.4
339.12613	1.3
345.11047	1.2
347.12543	1.5
348.13617	1.9
353.13513	1.3
360.13379	1.3
379.15411	12.0
385.12936	1.0
391.15424	15.1
405.17078	2.7
409.16534	20.8
427.17569	34.4
435.18057	2.5
437.19583	1.7
449.19614	2.8
453.13315	0.9
453.18979	5.2
467.20642	5.7
485.21664	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	485.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
53.74012	0.3
64.85177	0.3
65.03931	0.5
69.03427	0.8
69.19092	3.4
70.06590	0.8
72.08150	0.3
81.03426	2.8
82.06584	0.4
84.08134	0.5
85.02894	1.2
86.09694	0.6
91.05498	5.6
93.07034	0.3
97.02896	0.7
98.21545	0.5
99.83881	0.3
100.07618	0.3
103.05505	0.3
105.07035	0.7
107.04958	1.8
109.02874	1.3
110.07118	0.3
115.05458	2.5
117.05761	1.2
117.07010	0.5
119.04958	16.1
121.02855	0.8
121.16898	0.3
122.06020	0.5
127.03949	0.5
128.07076	0.9
130.06505	0.4
132.08109	4.1
133.05135	0.4
133.06461	1.0
134.06042	0.8
139.03943	0.5
142.06529	0.5
145.06497	2.6
146.06027	3.6
147.04427	79.6
148.07597	0.8
156.07985	0.4
159.06825	0.8
160.07596	100.0
161.07945	0.7
162.05518	0.4
165.05470	1.7
170.06107	0.8
172.07559	0.9
173.05949	0.4
174.09087	0.4
177.10254	16.8
184.07576	2.3
186.05437	0.5
194.05956	0.3
199.06313	0.5
200.07100	0.8
201.10222	0.4
202.08676	1.5
207.06589	0.5
210.87930	0.3
212.07137	0.8
219.11308	0.7
226.08684	0.4
228.81892	0.3
230.08176	0.6
238.08585	2.5
249.10101	0.3
256.09760	0.5
267.11368	1.2
276.10236	0.5
277.41913	0.4
278.11887	1.9
288.10162	1.0
291.08716	2.3
292.09073	0.3
306.11273	5.2
306.14444	0.5
309.09692	2.5
322.12863	0.4
323.13910	2.1
339.15549	1.2
379.24072	0.3
420.14539	1.1
444.22137	0.4
449.28458	0.4
450.15750	0.4
467.18237	0.9
468.16544	2.2
485.19327	10.2
485.24982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46320	3.8
53.03943	10.0
53.56437	3.5
55.01878	5.3
55.05508	11.6
57.03434	10.3
59.30257	3.3
61.02937	4.4
66.22221	3.4
67.05496	12.1
67.78034	4.3
69.03442	48.9
69.07076	6.7
69.67313	20.4
70.06578	5.2
71.04992	13.6
72.08154	4.2
79.05506	15.5
81.03433	30.3
81.07073	23.5
83.04991	7.9
85.02913	100.0
85.06538	6.2
87.00838	57.1
91.05494	15.8
91.40002	3.8
91.91583	3.6
93.06513	5.1
93.07030	26.1
95.08616	15.1
97.02892	36.4
99.04472	17.5
101.31647	3.7
105.01891	45.3
105.07056	26.2
106.41877	4.3
107.08582	19.5
109.02881	27.3
109.06513	5.6
109.10168	11.3
117.07056	8.0
118.24706	3.6
119.04919	4.1
119.08616	16.4
121.06518	14.7
121.10152	13.9
123.11668	4.8
127.03933	65.7
128.06255	4.3
128.89996	3.7
129.06998	4.2
131.04935	5.4
131.08607	19.6
133.06538	4.6
133.10139	20.3
135.11700	6.8
143.08572	9.8
145.04977	18.2
145.06502	27.2
145.10141	23.9
147.08086	31.4
147.11685	10.8
155.08611	9.2
157.06540	4.6
159.02934	6.5
159.08067	20.4
159.11732	7.9
163.11238	6.6
165.09146	13.4
171.08080	34.0
173.05910	4.4
173.09598	36.5
173.13399	5.2
175.11186	33.5
181.10156	5.0
181.78772	4.2
183.08070	8.1
185.09651	7.1
187.07576	4.7
187.11176	10.9
189.09152	7.8
191.10689	10.6
197.09647	9.3
199.11238	21.5
201.09143	10.8
201.12804	22.1
201.16425	12.9
211.07565	5.6
215.10712	27.2
217.12308	11.9
219.10345	5.3
219.13831	65.7
219.17436	11.7
225.12796	9.2
231.05089	14.3
231.13820	4.6
237.18608	8.0
241.12088	6.5
243.13870	34.8
249.14922	11.3
255.10149	7.3
261.14880	83.3
261.49872	4.4
267.13815	5.3
273.11218	12.3
277.14285	8.3
285.14865	11.7
295.02740	3.8
299.12564	3.8
309.14813	7.2
315.13116	5.1
316.13864	6.6
317.13928	8.8
327.15942	35.4
345.13153	5.1
345.16974	10.0
398.36133	4.0
413.15939	5.5
431.17004	11.4
485.24512	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	484.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82701	0.1
58.06600	5.9
58.48226	0.1
59.07384	3.6
71.02282	0.3
72.08209	0.2
72.41072	0.2
75.16773	0.2
79.02667	0.2
84.08136	0.3
87.56808	0.1
112.63026	0.2
116.07129	0.2
118.08659	100.0
119.09026	0.2
141.91292	0.3
160.07605	0.6
171.90306	0.1
197.11934	0.1
215.84506	0.2
255.17175	0.1
367.18805	0.7
437.39069	0.2
484.11642	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21025	2.4
55.01869	6.1
55.05520	4.1
58.06594	6.3
62.62629	2.2
67.05497	2.3
69.03436	4.6
69.07077	3.5
70.06587	11.5
70.68697	4.6
70.69030	5.5
71.04990	3.6
72.08163	14.3
79.05505	4.0
81.03429	3.4
81.07068	5.3
82.06573	2.9
83.04980	24.9
84.08138	3.1
85.02912	19.8
86.09713	10.4
91.05504	5.3
93.03430	4.0
95.05762	2.5
95.08632	4.3
97.02900	7.8
99.04449	3.1
101.97277	2.6
103.03928	3.0
103.05485	2.5
103.38883	2.3
105.03389	3.1
107.04972	3.4
109.02883	11.6
109.10133	2.6
111.08061	5.3
113.06039	3.9
119.04975	3.6
121.02879	8.7
123.04427	7.6
125.06006	15.7
126.65274	2.3
127.03928	5.7
128.07048	18.3
129.07405	5.8
129.10260	7.8
135.04399	7.0
137.05971	13.7
138.98404	2.3
139.03905	9.3
143.07018	13.1
145.06511	3.1
147.04349	13.9
149.02419	3.3
149.06001	4.1
151.03923	24.6
155.07108	3.7
159.04405	7.0
159.96181	2.6
161.05931	4.4
163.03934	27.4
165.05547	6.0
167.03394	3.0
169.04996	13.5
169.12222	3.5
171.14926	6.0
173.05972	3.7
175.03931	19.9
177.05493	19.4
179.03600	2.5
181.04982	70.1
185.05995	3.9
187.03929	15.6
189.05478	7.3
191.06969	4.4
193.04976	96.2
199.14468	4.3
201.05449	14.4
203.07068	3.8
205.04950	54.0
205.06728	4.1
207.06593	15.1
211.05989	17.6
213.05431	4.3
215.07053	4.5
217.04958	14.1
219.06532	22.9
223.06012	34.7
229.04916	15.6
231.06523	6.5
233.04552	3.3
233.08096	6.0
235.06021	38.5
241.04993	11.3
243.06693	4.8
245.08089	18.4
247.06042	100.0
252.65700	2.9
253.04846	4.3
257.08023	7.1
259.06015	59.1
259.08987	3.4
259.09915	3.2
261.07516	3.2
265.07007	7.2
269.08173	13.5
271.05991	16.3
275.09277	4.0
277.07083	37.0
281.08084	3.1
285.07037	3.2
287.09100	22.4
289.07010	39.5
295.08096	13.4
299.09195	9.2
305.10175	11.1
307.08109	17.1
311.09195	26.2
313.09357	21.2
317.10132	19.5
323.11215	7.7
325.09177	56.2
329.10190	38.4
335.11349	25.6
341.10159	5.2
347.11270	43.3
353.10126	12.7
365.12619	21.8
371.11267	39.3
373.09128	6.6
383.11243	16.7
389.12302	13.4
395.11258	13.1
401.12311	29.8
413.12366	28.4
419.13434	4.1
431.13388	41.2
449.14465	93.9
467.15482	70.7
485.16928	4.5
485.25708	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10570	0.2
60.41130	0.2
67.05493	0.2
69.03411	0.3
69.99849	0.8
70.06585	0.5
79.05502	0.2
81.07045	0.2
84.26904	0.3
86.09753	0.3
98.06058	0.4
107.08608	0.3
115.08649	0.2
116.77523	0.2
125.09620	0.5
137.05965	0.3
160.07629	0.3
161.99214	0.3
164.07076	3.0
173.89775	0.2
179.09222	0.5
185.04169	0.3
201.03712	0.5
236.75510	0.2
304.18890	0.7
322.19897	5.0
322.23325	0.4
327.70474	0.3
466.24133	1.1
484.25217	100.0
485.25668	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34984	0.2
69.03410	0.3
69.17538	2.4
70.06583	0.6
72.08195	0.3
77.76169	0.3
79.05475	0.4
81.07040	0.3
84.08134	0.5
85.02906	0.6
86.09701	0.3
89.02241	0.3
91.05492	0.6
93.07030	0.3
95.08616	0.6
100.11243	0.4
104.92633	0.3
107.08614	0.3
109.02831	0.4
109.10172	0.5
109.21264	0.3
112.07648	0.4
123.08170	0.3
126.09123	0.3
128.07077	0.8
131.04909	0.3
147.04446	0.6
151.03914	0.4
158.08176	0.3
165.09030	0.5
179.09146	0.3
183.10097	0.5
184.07387	0.3
185.04170	0.4
201.03702	0.6
201.11278	0.4
303.05042	0.4
304.18927	0.9
322.19913	5.3
322.23398	0.4
364.21002	0.3
377.01730	0.6
403.04721	0.3
453.34561	0.5
466.24374	0.9
484.25211	100.0
485.25916	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01865	1.0
58.06599	1.5
62.86869	0.5
67.05505	0.6
69.03436	1.3
70.06591	1.9
71.51952	0.5
72.08163	1.2
79.05493	0.6
81.03418	0.5
81.07048	0.9
82.06586	4.2
83.05017	0.9
84.08145	1.9
85.02924	2.0
85.06545	0.5
85.91953	0.4
86.09714	1.8
91.05488	1.1
93.07043	1.0
95.04981	0.6
95.08628	0.8
97.02898	1.2
98.06080	0.5
100.07617	1.6
100.11286	0.9
103.05547	0.5
105.07032	0.7
107.08639	0.7
109.02895	0.8
109.10200	0.7
110.07217	0.5
113.06025	0.4
114.05488	0.4
114.09190	0.9
116.07118	0.5
119.04942	0.7
123.04441	0.7
124.03932	0.5
125.06007	0.5
125.09612	0.8
128.07100	21.2
134.22351	0.4
135.11679	0.5
137.06023	1.0
139.03938	0.5
142.08730	0.5
143.06963	0.5
143.10628	0.8
146.06047	0.6
147.04404	3.0
151.03932	0.9
154.05034	2.5
160.07500	0.5
161.06017	0.7
163.03909	0.7
164.07115	3.2
165.09166	0.4
175.03818	0.5
177.05504	0.6
178.44980	0.5
181.05006	1.6
184.07390	0.4
187.03851	0.5
188.09265	0.6
193.05031	1.8
203.05414	0.8
205.04977	0.8
210.14799	0.5
219.97166	0.4
221.62068	0.5
223.05994	0.8
235.06081	0.8
236.12775	1.1
247.06024	2.4
259.06082	1.4
277.07153	0.9
282.09128	0.5
286.17938	0.6
287.09274	0.6
304.18872	13.2
306.20493	3.6
314.12189	0.5
322.19974	2.4
325.09293	1.1
332.13535	2.4
335.11386	0.6
347.11234	1.0
361.07138	0.5
388.10291	0.8
401.12610	0.5
431.13211	0.9
449.14511	1.0
466.14008	0.6
467.15875	0.8
484.25269	100.0
485.25476	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29695	0.2
55.05505	0.4
61.78609	0.2
65.03938	0.6
70.06578	1.1
70.78094	0.6
72.08163	5.5
81.03448	0.5
81.07048	0.3
82.06587	0.6
84.08150	0.3
85.02917	1.3
90.09206	0.6
91.05494	5.4
95.08639	0.5
97.02920	0.3
105.01885	0.4
105.07026	0.4
107.04942	0.3
109.02874	0.9
111.43716	0.3
119.04957	17.9
121.06568	0.3
127.03933	1.0
128.07076	1.9
133.06480	0.4
137.02316	0.4
137.05998	1.1
139.03934	1.5
145.04990	0.5
147.04427	100.0
148.04759	0.6
151.03989	0.3
154.05034	0.9
161.06023	0.4
163.03801	0.3
164.07117	0.8
167.04794	0.3
187.07559	0.6
193.08629	0.4
207.06570	0.7
215.06912	0.4
231.06670	4.1
236.12877	1.1
255.06621	0.6
273.07672	0.9
304.09216	0.3
305.10168	0.8
320.93646	0.3
322.12680	0.4
377.08710	0.7
395.09799	2.7
413.10757	2.6
484.18207	3.6
484.25330	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74989	0.1
55.05500	0.3
58.06598	0.3
65.03963	0.2
67.04247	0.7
68.05040	0.2
69.03432	0.8
69.70717	0.8
70.06594	0.6
71.04982	0.2
72.08150	0.5
79.05527	0.2
81.03419	0.2
82.06583	17.3
83.07369	0.4
84.08144	1.4
85.02908	0.5
86.09702	0.3
91.05496	0.4
97.02879	0.3
100.07618	4.4
105.07014	0.2
105.53687	0.2
106.02892	0.3
116.07042	0.4
119.04932	1.2
124.03947	1.1
125.04315	0.2
127.03922	0.4
128.07083	100.0
129.07433	0.4
130.08662	0.5
133.06549	0.2
137.05975	0.6
139.03912	0.8
147.04413	5.1
153.49933	0.2
154.04979	1.0
161.06015	0.3
163.03935	0.6
173.06133	0.2
179.03430	0.3
180.03671	0.2
248.16563	0.4
268.08286	0.3
269.08319	0.2
270.08713	0.4
272.99603	0.2
280.08139	0.3
304.11761	0.2
316.10330	0.2
322.13123	0.3
322.16501	8.3
322.19974	0.5
340.11539	0.4
466.10696	0.2
484.16028	0.6
484.21524	1.9
487.58823	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46247	0.4
69.17225	3.2
69.17648	1.4
89.06038	0.8
104.91272	0.4
119.29143	0.4
119.61705	0.4
133.08604	1.1
283.17633	0.9
483.38156	100.0
484.38586	1.3
484.46924	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45337	0.4
57.07072	0.6
66.92470	0.5
69.47646	3.3
71.83662	0.5
89.06037	3.4
92.72254	0.4
95.08630	0.6
114.07028	0.5
133.08630	1.6
146.05981	0.6
156.89920	0.4
172.10069	0.5
175.08653	1.1
176.07068	2.5
196.79703	0.5
283.17578	1.5
284.17859	1.0
367.89703	0.4
483.38156	100.0
484.38303	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61066	0.4
51.84967	0.4
55.24519	0.4
57.07074	0.9
58.37888	0.4
59.39145	0.4
60.51665	0.4
60.88482	0.4
62.84679	0.4
70.06599	0.6
70.69936	0.8
70.70276	0.8
72.08143	0.7
76.87780	0.4
81.07052	0.6
88.07643	0.5
89.06055	2.2
90.06356	0.6
114.07443	0.4
133.08621	1.2
268.09253	0.4
283.17581	1.5
283.26492	0.5
284.17996	0.7
311.29620	0.8
386.16867	0.5
393.52725	0.5
483.38126	100.0
484.39014	2.6
484.47012	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	483.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.1
57.07064	0.5
58.02935	0.2
62.25665	0.2
67.04221	0.3
67.05514	1.0
69.07072	1.3
71.08611	0.4
71.09740	0.4
71.10091	0.3
79.05478	0.5
81.07062	1.8
83.08612	0.8
85.10170	0.2
88.07613	0.2
89.06046	1.4
91.05466	0.3
93.07031	0.6
94.69292	0.2
95.08602	1.4
97.10155	0.6
105.07059	1.3
106.84158	0.2
107.04924	0.3
107.08593	0.6
109.10162	0.6
115.05458	3.7
117.05776	2.0
118.06515	0.3
119.08552	0.4
120.08075	0.2
121.10157	0.6
123.11690	0.3
125.09647	0.2
130.06522	0.3
131.04927	0.4
132.08101	6.3
133.05267	0.3
133.06500	1.6
133.08607	0.7
133.10091	0.2
134.06009	0.6
135.11691	0.3
142.06529	1.1
143.07315	0.4
146.06053	1.1
148.07588	9.3
159.06821	0.8
159.08081	0.2
160.07593	100.0
161.07964	0.7
167.07051	2.1
191.11809	12.6
193.08636	0.5
201.09196	0.2
205.08635	0.3
207.10161	0.6
219.10197	0.5
221.11813	0.5
233.11807	0.3
283.17575	0.7
284.17950	0.3
324.32703	0.7
350.34412	1.0
373.86157	0.2
440.35379	2.7
452.35388	2.1
483.39624	14.7
484.40390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.1
55.05511	9.5
57.07067	3.5
61.98059	1.1
67.05505	10.8
69.07069	13.5
79.05499	8.9
81.07058	23.8
83.08615	7.5
86.09705	1.3
88.44342	0.9
91.05470	9.1
93.07052	21.2
95.04980	1.8
95.08613	38.3
97.10160	3.9
105.07039	32.0
107.08597	28.2
109.06522	1.1
109.10159	25.9
111.11753	1.5
117.07019	4.0
119.08580	27.9
119.09365	2.1
121.10142	29.2
123.11707	12.5
129.07047	2.0
130.07848	1.2
131.04984	1.5
131.08577	30.2
133.10143	22.5
135.11691	24.1
137.13266	5.3
139.03931	1.5
143.08577	5.1
144.09331	2.6
145.10127	26.7
147.11685	26.7
149.13266	16.9
155.08514	1.6
156.09320	1.2
157.10173	6.6
158.10904	6.3
159.08156	1.6
159.11697	30.3
160.07526	1.2
160.12453	1.4
161.13261	21.2
163.07588	4.3
163.14844	7.7
169.10091	2.6
171.11707	11.1
173.13271	93.3
175.14880	10.6
177.16388	4.3
183.11772	1.7
185.13269	17.7
187.14833	100.0
189.12709	1.3
189.16414	9.6
191.17961	84.7
193.12305	1.3
197.13257	2.2
199.14868	4.2
201.12717	3.3
201.16393	6.5
203.16057	2.6
203.17957	42.9
205.19522	17.1
207.13811	3.8
211.14819	1.8
213.16441	1.7
215.14421	1.6
215.17987	3.6
217.19498	9.9
219.13831	6.1
221.15442	4.9
225.16321	1.3
227.17969	3.2
231.13849	2.7
231.21103	1.7
233.15375	35.3
235.17183	2.0
239.18069	1.6
241.19447	1.9
245.15329	8.3
247.16953	48.2
247.19513	2.4
259.16974	3.5
269.22742	2.7
273.18713	1.2
275.20248	1.6
287.20181	1.2
299.20081	1.5
377.31979	6.8
405.31754	1.3
423.32632	2.9
437.34207	27.3
483.34732	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	483.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.05521	6.6
56.66004	0.8
57.07059	2.6
57.84918	0.8
61.05750	0.9
65.03923	1.7
67.05512	13.6
69.07076	13.0
71.08633	1.3
71.29837	1.6
78.04714	1.7
79.05503	10.4
81.06599	1.7
81.07066	31.6
83.08624	5.8
89.06026	3.4
91.05492	8.1
93.07053	15.7
95.04961	1.8
95.08615	28.1
97.10171	3.8
103.05476	1.3
105.07030	12.0
106.04152	1.7
107.04962	6.1
107.08604	15.5
109.09472	1.4
109.10171	17.9
111.11715	2.2
115.05444	3.8
117.07012	1.9
117.67095	0.8
119.07963	0.8
119.08607	9.5
121.06485	1.7
121.10143	11.4
123.04413	4.5
123.11715	8.0
125.09683	1.0
128.06213	1.5
129.06995	4.1
131.04884	1.5
131.08543	4.2
133.06503	6.4
133.08592	1.3
133.10138	7.7
135.11719	7.7
137.05963	1.6
137.13235	2.7
143.08563	3.2
144.05685	1.4
145.06479	4.8
145.10109	2.8
146.07233	1.5
147.08046	3.9
147.11716	6.2
149.13260	7.3
151.14827	1.4
157.06465	3.7
157.10083	1.7
158.07263	2.7
159.08073	5.0
159.11702	3.1
160.07607	9.3
161.06012	7.1
161.09567	1.8
161.13312	4.7
163.14879	6.2
167.07063	100.0
169.06470	1.3
170.07253	1.2
171.08015	3.1
171.11726	1.2
173.06015	3.4
173.09602	4.1
173.13258	1.9
175.07573	7.1
175.14819	3.6
177.16371	3.4
179.08611	1.0
181.08623	8.3
181.10068	1.8
183.08028	1.6
185.09615	1.9
187.07564	6.2
187.14754	1.2
189.09117	5.6
189.16452	4.2
190.06380	1.3
191.07013	2.2
191.17853	1.5
192.07811	2.3
193.08636	17.8
197.09671	1.4
201.09157	4.5
201.16393	1.0
203.10619	3.7
203.17976	5.6
204.07828	2.3
205.08598	11.0
205.19363	1.1
206.09322	1.8
207.08226	1.8
207.10182	25.1
209.09676	1.4
211.11160	1.6
212.08209	0.9
213.09111	1.3
215.10735	1.9
217.08588	3.9
217.19502	2.6
218.09383	1.6
219.10204	17.2
220.10927	1.5
221.08192	1.1
221.11751	15.5
223.09586	1.8
225.09235	1.2
227.10677	2.0
231.10156	5.0
232.11078	1.5
233.11731	14.3
235.13333	6.8
237.11177	5.7
239.10797	1.2
241.12244	1.4
245.11836	5.2
247.13423	5.2
251.12633	1.4
253.12251	1.0
257.11728	2.6
258.12555	1.2
259.13257	2.9
261.14853	3.0
267.13470	1.0
271.13290	1.9
273.14828	1.9
275.16455	3.0
277.14499	1.4
277.18008	2.4
283.17441	2.2
284.18015	1.5
285.15167	1.2
287.16425	3.6
289.17996	1.7
291.19479	1.7
293.17197	1.0
299.16177	1.0
301.17935	1.7
303.16028	0.9
303.19461	3.6
313.18106	2.0
331.19232	1.3
341.21329	1.0
355.22757	1.0
371.25815	1.6
381.24496	1.0
399.25406	8.0
401.26721	1.7
409.27493	1.2
413.26584	1.5
415.28183	1.0
451.31726	1.4
465.33640	10.0
476.73630	1.1
483.34647	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.7
54.82598	0.6
55.05275	1.3
55.05519	19.4
57.03444	5.8
57.07083	8.5
57.84619	0.7
62.43041	0.6
67.05505	2.9
69.07076	23.0
69.20213	7.0
71.08646	5.1
79.05493	2.5
81.07061	5.4
83.08627	21.0
85.10188	2.4
89.57005	0.7
93.07055	2.4
93.25743	0.6
95.08609	3.1
97.06560	1.3
97.10178	11.3
98.98479	8.0
107.08586	1.8
109.10165	1.0
111.08085	1.0
111.11707	3.3
121.10153	2.4
125.09625	1.0
125.13248	0.7
135.11700	1.7
149.13234	1.3
155.01062	4.8
226.93224	0.8
311.25830	100.0
436.97830	0.8
447.25192	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31215	2.3
53.60397	2.0
55.05518	14.7
55.49673	2.2
57.07068	8.9
60.43532	1.8
61.87599	1.7
67.05515	15.9
69.07076	46.9
70.39714	4.7
70.40041	3.8
78.04733	1.9
79.05494	14.5
80.28122	1.9
81.07065	71.3
81.12466	1.9
83.08639	13.1
90.24435	1.6
91.05492	10.8
93.07052	20.9
93.12334	1.9
95.08614	47.0
97.10151	7.5
103.05385	1.8
105.07037	15.9
106.04147	2.7
107.04941	8.7
107.08610	24.9
109.10167	35.6
110.80106	1.9
111.08060	2.2
111.11671	2.9
113.79816	2.2
113.89358	1.8
115.05429	5.3
117.06991	3.0
119.08586	12.6
121.10172	16.5
123.04411	5.2
123.11707	25.9
129.06999	5.4
131.08559	7.8
133.06482	6.3
133.10115	7.9
133.85333	2.0
135.11693	13.8
137.13268	24.6
137.62874	1.9
143.08591	3.5
144.05733	3.8
145.06476	4.9
145.10110	3.0
147.08072	2.6
147.11691	4.9
149.13284	11.7
151.93547	2.0
157.06496	4.8
157.10081	2.2
158.07309	3.9
159.08061	8.1
161.06017	9.8
161.09692	2.1
161.13254	7.8
163.14822	9.0
167.07063	100.0
167.08429	3.8
171.08170	2.4
173.05998	5.0
173.13269	3.9
175.07584	7.1
175.14839	2.4
177.16389	5.1
178.06331	3.3
181.08687	11.2
181.09999	2.2
183.08049	2.9
187.07526	8.3
189.09062	4.0
189.16380	3.3
191.07071	5.0
191.17953	5.5
193.08661	16.5
201.09125	4.9
201.96210	2.2
203.17845	3.3
205.08586	16.4
207.10094	16.1
209.09705	3.1
213.09137	3.9
215.10583	3.5
217.08589	8.8
217.19563	4.5
218.09299	3.0
219.10222	23.4
221.11711	8.6
223.09674	5.1
225.09085	3.4
227.10687	4.2
229.08394	2.2
231.10170	6.3
231.20892	2.2
233.11739	11.2
235.13222	3.0
237.11217	11.0
239.10577	2.7
241.12257	2.2
243.10094	2.9
244.44745	2.2
245.11708	5.0
247.13301	16.3
251.13045	2.6
257.11728	2.8
259.13278	7.5
261.14868	4.6
269.15286	3.2
271.13287	3.9
273.14902	4.6
273.25858	10.0
301.18097	6.0
303.19559	34.2
312.32318	2.1
323.79242	2.2
329.21143	3.3
341.21109	4.6
345.20694	2.7
371.22379	2.5
373.23679	3.4
381.24341	2.4
441.30252	2.2
465.33731	14.8
483.34732	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	483.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42155	3.1
53.03942	9.3
55.01864	7.2
55.05518	20.0
57.02315	3.1
59.04994	14.0
67.05244	3.1
67.05515	37.7
69.03423	17.4
69.07079	20.5
69.27068	24.6
70.06567	3.3
71.04978	4.9
77.72588	2.8
79.05499	40.8
81.03420	17.4
81.07065	55.0
83.04990	68.9
83.08616	7.7
84.19410	3.0
85.02451	3.3
85.02911	24.3
86.09728	2.9
87.00822	10.1
91.04977	5.2
91.05495	64.5
93.07055	69.5
95.04977	11.8
95.08616	73.8
97.02875	8.3
97.06510	5.0
97.10195	3.6
98.20702	5.4
99.04439	9.1
103.05473	4.6
105.01852	6.6
105.07042	100.0
107.04971	5.1
107.08594	29.8
109.02876	11.5
109.06512	12.4
109.10175	14.6
111.08086	6.6
115.03975	3.7
115.05456	5.8
117.07023	31.8
119.08601	41.5
121.06509	10.0
121.10173	12.0
123.04476	3.1
123.08069	8.9
123.11694	4.3
125.09660	4.0
127.03886	13.8
127.90294	3.1
128.06233	14.0
129.07010	21.6
130.07826	4.5
131.08578	57.8
133.06473	8.4
133.10149	51.1
135.08096	21.5
135.11644	5.6
137.06001	3.7
137.09628	6.7
141.06958	4.6
142.07816	18.1
143.08569	33.9
144.09305	4.8
145.04942	5.2
145.10168	21.9
147.04327	3.4
147.08011	10.0
147.11694	16.7
149.09628	22.0
151.07478	3.2
155.08492	5.1
156.09332	7.7
157.10149	42.1
157.85512	3.8
159.02872	4.2
159.08101	4.7
159.11705	62.2
161.09651	41.7
161.13274	7.7
169.10089	4.0
171.11707	18.3
173.09532	4.0
173.13222	7.3
175.11186	14.9
175.14873	4.5
184.12447	4.9
187.14865	3.5
189.12766	4.5
189.16356	16.0
189.38223	3.3
199.14830	33.8
215.14395	6.5
217.15894	90.5
227.14305	4.1
257.04486	5.2
420.92120	3.8
425.38870	3.0
441.70877	3.3
483.22473	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
55.05508	1.4
57.03433	3.0
59.04993	0.8
61.02926	0.9
62.08881	0.7
63.15514	0.7
67.05493	1.9
69.03432	1.3
69.07077	10.3
69.35475	5.7
70.06596	1.5
71.04991	1.1
77.24750	0.7
79.05499	9.4
81.07045	4.0
83.04992	1.7
85.02892	0.8
89.03929	1.7
91.05479	1.9
93.07040	1.8
95.04967	1.5
95.08614	0.8
97.02876	0.7
97.06544	27.4
98.20793	1.5
105.04455	0.7
105.07026	1.2
107.04958	1.0
109.10175	1.0
111.04481	0.7
111.08071	4.3
112.08867	2.2
112.80666	0.7
113.73227	0.7
115.05458	0.9
117.03376	2.4
121.10150	1.1
123.04443	0.8
129.09122	1.9
133.02887	5.1
133.10077	0.9
135.04440	3.4
145.02879	3.6
147.04427	1.3
151.03947	1.0
159.04419	2.5
159.11784	0.8
161.02364	7.9
162.03171	1.8
163.03920	22.3
167.08452	0.9
173.02362	80.8
177.05501	7.6
179.03416	0.7
185.05984	3.6
187.03899	3.0
187.07530	1.6
191.03392	10.6
195.08049	2.5
197.05862	0.8
199.21790	0.7
203.95576	0.7
213.09210	2.3
215.07053	77.1
223.07607	1.2
233.08136	3.9
241.08620	23.4
259.09689	52.4
261.64294	0.7
267.08585	0.8
273.11237	100.0
274.11429	0.8
291.12274	6.6
446.07047	0.7
483.22247	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.1
55.01868	2.7
55.05515	2.3
57.03441	3.1
59.04984	1.3
61.02935	1.4
67.05504	3.6
69.03432	1.5
69.06731	1.4
69.07078	20.3
69.44069	4.0
69.44478	1.9
79.05495	8.9
81.07088	3.6
83.04982	3.0
85.02909	2.1
85.06543	1.0
89.03895	1.8
91.05480	3.0
93.07069	2.5
95.04964	1.4
95.08609	3.1
96.32545	0.8
96.42656	0.7
97.06546	77.3
98.20773	1.8
105.07050	3.0
107.04923	1.1
107.08605	1.2
109.02902	0.9
111.08096	1.5
117.03419	3.9
117.06994	1.3
119.08595	2.0
128.06264	0.9
129.07059	0.9
129.09123	1.9
131.04944	1.1
131.08571	2.4
133.02863	3.1
133.10165	1.1
135.04437	5.9
143.08578	1.5
145.02878	5.6
147.04459	1.5
157.10168	1.9
159.04424	8.3
159.08041	1.0
159.11716	2.8
161.02365	24.3
161.09601	0.9
163.03929	50.2
169.06381	0.9
173.02367	46.3
185.06035	4.1
187.07503	1.9
191.03401	8.9
199.14850	1.7
213.09128	1.3
215.07059	75.9
217.15894	2.7
233.08180	3.4
241.08661	14.6
259.09723	25.1
273.11258	13.3
291.12308	100.0
292.12689	0.9
412.28387	0.9
439.23050	0.9
461.76035	0.8
465.17569	0.9
483.22095	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	483.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00327	1.4
53.03940	3.0
55.01874	3.0
57.03442	3.3
67.05487	2.5
69.03411	2.5
69.07077	14.1
69.46834	5.5
69.47264	4.9
70.06615	2.9
71.05003	2.3
79.05508	16.3
80.58006	1.4
81.07040	4.4
83.05006	2.6
85.06514	1.4
91.05489	2.2
93.07072	1.8
95.04967	1.5
97.05918	2.9
97.06537	43.7
98.20770	3.1
100.11259	1.8
100.21909	1.5
106.85771	1.9
111.08102	7.8
112.08900	1.9
117.03368	2.6
125.88698	1.4
129.07018	1.5
129.09100	4.7
131.05008	1.7
133.02849	3.1
133.10159	2.3
135.04404	4.1
139.03947	2.6
145.02879	4.8
147.04428	2.5
159.04404	4.9
160.55904	1.7
161.02321	6.7
162.03146	1.7
163.03909	36.5
169.89220	1.4
173.02357	71.3
177.05476	9.7
185.05951	3.6
187.03883	3.1
191.03365	9.0
195.08017	2.6
199.04021	2.1
213.09108	4.7
215.07045	78.4
223.07423	2.2
233.08105	3.2
235.16782	2.0
241.08604	45.5
259.09683	77.5
273.11227	100.0
291.12390	8.0
367.63925	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15191	1.0
57.93572	1.0
69.75174	5.2
98.21534	1.0
109.92681	1.0
135.04431	3.8
145.06570	1.8
148.49355	1.0
173.88498	1.1
191.00050	1.6
194.99489	1.2
206.99596	1.3
208.00346	1.3
216.00844	1.2
221.01109	3.0
230.99495	3.1
234.98924	1.2
245.91759	1.1
249.00571	2.2
258.99088	2.4
275.99368	1.3
277.00128	5.0
301.97461	1.2
302.00693	5.5
304.99619	2.0
323.00864	1.4
330.00229	1.6
334.00049	1.3
346.96909	3.4
351.00003	1.3
359.98010	1.3
360.98462	2.9
361.99466	1.9
374.96454	16.2
378.99554	3.9
385.99429	3.4
388.98080	1.9
389.98788	7.1
401.01825	4.0
402.01382	1.2
417.98331	94.2
419.06622	2.2
427.02121	7.5
433.00690	100.0
434.01303	1.8
437.03384	2.0
442.04346	39.6
460.05365	7.0
483.06970	6.4
495.48697	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01865	2.2
55.05506	2.0
62.93922	1.0
64.40575	0.9
67.05489	2.1
69.03423	3.0
69.07081	1.2
69.13075	1.0
69.75158	0.8
70.06607	2.2
70.95332	2.0
71.04996	1.7
71.37746	0.9
72.08163	7.5
79.05478	1.6
81.03413	1.0
81.07069	2.3
84.04491	1.4
84.08143	3.6
84.58974	1.0
85.02914	5.7
85.06534	1.0
86.06070	1.4
86.09695	4.2
87.00839	1.0
91.05487	11.4
93.07057	1.6
95.04996	1.1
95.06087	1.3
95.08596	1.6
97.02901	4.0
105.06998	2.8
107.04981	1.6
110.07174	7.4
114.05522	1.0
115.03939	4.3
117.07040	3.3
119.08595	6.2
121.06517	3.4
129.06938	4.7
129.10217	3.9
130.07770	1.6
131.04872	4.6
131.08589	22.8
133.06429	1.5
141.06996	2.0
143.08554	2.6
145.06502	7.7
145.10130	6.9
147.08060	83.1
149.09636	2.0
153.06865	0.9
155.08577	23.1
157.06593	1.7
157.10175	1.2
158.07295	9.4
159.08076	20.3
159.11710	1.7
160.08795	1.1
161.04472	1.0
165.09052	1.7
171.08011	1.8
172.08876	2.2
173.09639	56.7
173.13164	4.7
175.11205	4.3
183.11635	2.1
186.10469	2.0
191.10690	21.9
195.07948	1.1
199.11162	2.0
201.12766	100.0
215.06984	1.1
217.12326	1.8
219.04987	1.2
219.13821	37.4
231.45354	1.0
270.14584	2.1
300.98923	0.9
303.19397	1.3
359.22668	1.0
361.16321	1.9
423.05106	1.1
429.15683	2.2
439.18665	1.0
446.26572	1.0
447.16718	2.5
465.17215	2.5
483.27194	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	483.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83471	0.4
54.32688	0.4
56.96555	1.3
61.99749	0.4
64.50947	0.5
69.54430	2.8
71.95249	0.6
77.52477	0.4
97.91242	0.4
98.20981	1.6
98.21581	0.7
98.97590	14.6
116.98638	7.8
132.96649	0.7
134.99690	2.5
135.24619	0.5
140.00305	0.5
156.96616	1.3
174.97690	6.1
190.95682	1.2
192.98764	3.7
198.97644	0.8
214.95647	8.4
216.98720	6.2
232.96701	15.4
234.99834	5.4
238.95670	1.1
240.98911	1.5
250.97803	7.5
256.96719	36.8
257.96979	1.2
258.97119	0.6
258.99878	9.8
260.00024	1.0
261.00089	0.5
261.03079	1.1
272.94504	0.7
274.97751	64.4
275.97934	1.7
276.98163	0.7
277.00931	7.3
280.96497	3.2
283.00012	10.2
284.00299	0.8
284.99945	0.9
289.96503	1.2
292.98767	8.7
297.99442	0.8
298.97775	82.1
299.98001	2.3
300.98013	0.6
301.01038	10.6
302.01266	1.2
303.00934	0.8
314.95547	1.1
316.98837	100.0
317.98935	2.8
318.99069	1.0
332.96768	1.4
334.99939	2.5
340.00378	3.3
340.98798	3.3
356.96896	1.6
359.00003	5.7
374.98013	4.2
380.97232	1.3
383.00269	0.5
398.98007	5.0
401.00861	0.7
416.99011	12.5
417.99246	0.9
422.97736	6.6
425.01413	1.3
427.01477	0.5
440.98975	88.2
441.99350	3.3
443.02271	1.7
452.99509	0.6
456.96786	0.8
459.00000	79.2
460.00168	2.9
461.00351	0.8
477.01279	0.7
482.01617	5.3
483.00299	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	482.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
53.03950	4.2
55.01852	0.9
55.05505	1.2
56.94218	0.7
57.03437	1.9
67.05489	0.9
69.03436	12.0
70.06600	3.7
71.05003	2.0
71.41612	1.1
71.41952	1.1
72.08155	1.4
78.03462	17.9
79.05493	1.8
80.05022	2.2
81.03423	27.4
81.07066	0.9
84.08148	2.9
85.02914	8.9
85.06548	2.0
86.09706	2.5
91.05476	2.3
95.06079	1.5
96.04491	3.5
97.02887	5.1
99.04454	2.2
103.05535	0.7
105.07063	0.9
106.02923	67.2
107.04957	6.8
107.08579	0.7
109.02885	16.0
109.91619	0.7
110.07155	0.8
112.08710	2.0
119.04958	3.0
121.06473	1.4
122.03692	0.9
124.03963	100.0
124.10112	0.7
127.03943	7.0
135.04411	1.3
135.08075	1.0
137.05977	9.5
147.04433	5.2
149.05937	1.8
151.07535	1.1
154.04942	1.3
160.05275	0.8
166.05043	1.9
167.07071	1.2
175.07593	1.0
175.11151	0.8
177.05429	1.4
179.07040	2.4
193.12273	1.4
195.08041	0.8
196.06203	0.9
226.07344	0.9
226.64236	0.7
232.06071	2.6
250.07129	36.0
257.08051	0.8
261.23413	0.7
268.08185	39.5
285.17157	1.3
286.09259	1.4
337.21848	0.6
383.84830	0.7
386.42834	0.7
416.13043	1.0
431.62683	0.7
434.14520	26.5
464.14990	1.8
482.11002	0.8
482.21750	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	482.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60892	0.3
53.03951	0.6
55.01865	0.4
55.05500	1.5
57.03442	3.9
57.07092	0.5
59.05017	2.2
59.25789	0.3
61.02915	0.8
67.05515	0.7
69.03436	14.7
69.07069	1.6
69.91518	1.8
70.06599	0.4
71.05000	10.6
73.02905	0.7
73.06557	2.9
79.05502	3.2
81.03424	0.7
81.07063	14.7
83.05002	0.5
85.02911	12.2
87.04475	11.4
91.05481	1.2
93.07055	10.2
95.08617	2.6
97.02904	16.3
97.06557	0.8
99.04455	0.5
105.06984	0.4
107.08607	7.1
109.02924	0.6
109.10158	1.3
115.03940	25.6
117.05556	0.5
119.08654	0.4
121.10162	0.4
123.11700	0.4
127.03915	1.3
133.04976	24.8
135.11711	17.1
135.12581	0.3
139.03947	0.5
141.45280	0.3
145.04976	2.5
146.21657	0.4
153.12756	100.0
154.13112	0.4
160.52963	0.3
161.04436	0.4
169.04933	0.8
171.13818	1.4
175.06065	0.4
181.05045	0.5
187.06042	0.4
217.14386	0.8
223.06071	0.6
241.07170	1.1
259.08179	2.7
277.09241	1.5
285.16879	0.8
295.10254	3.4
318.06845	0.9
319.07217	1.4
320.07553	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	482.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03494	0.6
53.03957	4.3
55.01865	1.7
55.05502	1.5
56.05032	1.1
57.03450	1.6
60.65421	0.8
69.03441	9.9
69.37269	5.9
70.06594	8.3
70.20638	0.7
71.04967	1.3
71.06892	0.8
72.08167	4.5
73.38489	0.7
74.06081	1.6
78.03032	1.3
78.03464	16.5
80.05019	1.6
81.03429	25.1
83.04993	0.8
84.08176	3.5
85.02918	9.2
85.06561	4.0
86.09711	2.2
91.05499	1.6
93.07038	1.0
95.06105	1.2
95.08617	0.9
96.04509	4.7
97.02895	5.9
99.04472	2.8
102.28316	0.8
103.05450	0.8
106.02927	58.7
107.04959	1.3
109.02898	15.6
112.08754	1.5
116.07111	2.0
119.04951	2.6
120.72243	0.7
124.03968	100.0
127.03941	9.2
129.10258	2.3
131.04900	1.6
137.06004	13.2
145.04976	1.5
147.04431	6.6
151.03917	1.2
152.07080	1.1
163.07648	0.8
166.04942	1.2
172.03183	0.8
175.08762	0.9
177.05537	1.5
179.07016	2.5
218.53958	0.8
232.06187	3.1
241.08694	1.1
250.07126	35.1
268.08194	47.2
269.12946	1.1
367.15051	0.8
388.87488	1.0
434.14493	4.1
464.15408	6.0
482.13235	7.0
482.20978	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.6
53.03944	1.6
55.01871	0.7
55.05511	0.8
56.03032	0.6
57.03425	0.8
58.06597	2.3
69.03442	5.4
70.06600	12.3
71.52963	0.8
72.08156	2.3
77.13882	0.7
78.03458	8.0
79.05518	1.6
80.05017	1.0
81.03421	7.3
81.07074	1.1
84.08154	1.0
85.02919	5.3
91.05496	14.1
93.07041	1.3
94.04204	1.4
96.04488	1.6
97.02884	3.2
99.04462	1.8
106.02925	34.7
107.04953	3.1
109.02895	6.1
116.07108	20.0
119.04959	33.8
119.08519	0.7
121.06490	1.2
122.03651	3.6
124.03968	67.5
125.04378	0.8
127.03921	3.9
128.07114	0.8
129.39157	0.6
135.04427	2.0
137.05995	100.0
147.04425	73.3
149.06029	1.6
149.09676	1.1
151.07581	2.1
160.07642	1.1
166.04939	0.9
167.07074	3.9
179.07059	40.4
186.19563	0.6
187.13316	1.1
197.08142	6.6
226.07166	0.9
232.06100	1.0
242.43741	0.6
250.07127	20.3
268.08194	34.4
284.16492	1.5
284.22174	0.7
291.62155	0.7
296.83658	0.7
386.07678	0.8
433.36414	0.8
434.14502	43.9
435.14862	1.0
464.15610	12.9
464.21954	0.5
482.13300	1.0
482.23938	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	482.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
52.13836	0.5
53.03955	3.0
55.05508	0.5
57.03431	1.1
65.70197	0.4
67.05503	0.9
68.99787	2.5
69.03431	4.3
70.06596	1.2
71.05005	1.0
73.02913	0.5
78.03455	7.6
79.05466	2.3
80.05026	2.2
81.03423	13.4
81.07064	0.8
83.04989	1.9
84.08144	0.9
85.02911	6.5
91.05429	0.6
95.04971	1.8
96.04492	2.1
97.02885	4.2
99.04456	2.0
106.02917	32.4
107.04958	6.2
107.08559	0.9
109.02889	8.4
109.08047	0.4
111.04444	0.7
111.73777	0.5
113.02354	0.5
116.03429	0.5
116.07084	0.9
119.04931	0.6
121.79839	0.5
123.04437	8.6
124.03954	100.0
125.04266	0.7
127.03918	5.5
128.07095	0.8
135.04425	19.6
137.05974	1.3
139.03896	4.8
145.04979	0.9
147.04439	0.8
149.05914	0.5
151.03917	8.3
151.05080	0.3
151.11179	1.2
154.05042	0.8
163.03899	2.5
167.03445	2.9
169.04968	2.5
169.12186	0.9
179.03401	50.0
179.80780	0.5
180.03780	0.8
190.39369	0.5
196.06120	0.9
197.04442	8.2
203.87059	0.5
208.06009	0.6
215.05547	0.6
226.07085	0.8
248.80804	0.6
250.07114	19.5
268.08163	78.4
269.08456	0.7
284.07550	0.7
286.09192	1.2
302.16010	1.4
320.17380	0.6
341.90601	0.5
434.10794	22.1
464.11743	1.8
464.17545	0.5
482.13101	0.7
482.23700	1.0
501.43408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.6
64.61254	0.6
67.05491	0.7
69.07063	0.7
71.53265	0.7
81.07073	1.1
89.06062	0.8
93.07008	0.9
107.08606	1.1
109.10125	0.8
119.19009	0.5
125.09566	0.6
125.32523	0.6
140.54276	0.7
191.10490	0.8
215.10698	0.6
247.16888	0.7
273.18295	1.8
275.99615	0.6
283.17627	0.8
314.70706	0.5
341.24628	1.4
409.30750	1.7
465.26108	0.6
481.36581	100.0
482.36850	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32627	0.9
54.96245	0.9
58.29138	0.8
71.53194	1.6
72.10456	0.9
81.07044	1.8
89.06049	1.2
161.16302	0.9
197.77225	0.8
349.57510	0.8
440.29495	0.9
481.36578	100.0
482.36856	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43731	0.3
55.05506	0.4
57.07081	0.4
70.09504	0.8
81.07047	0.6
84.82003	0.3
95.08617	0.5
98.21502	0.4
105.70367	0.3
109.10135	0.3
124.09666	0.3
131.87544	0.3
139.86595	0.3
164.70026	0.3
168.17384	0.3
260.49512	0.3
265.26703	0.3
392.25745	0.3
463.22034	0.5
481.36603	100.0
482.36972	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.259
Annotation	Vedelianin
Peak:m/z	Relative Intensity
54.47725	1.7
55.01870	3.2
55.05476	1.7
57.07065	1.6
59.05000	3.4
67.05502	3.0
68.14053	1.5
69.07074	23.7
71.53105	2.0
77.03928	2.3
78.02027	1.5
79.05505	2.1
81.03419	2.6
81.07065	3.5
83.04978	2.8
91.05478	5.6
93.07047	1.6
95.04969	4.2
95.08618	4.3
103.05463	6.6
105.02103	1.6
105.03313	2.2
105.07024	4.6
107.04926	1.6
108.90535	1.7
115.05408	3.3
117.07025	5.4
119.08616	1.6
123.04440	100.0
123.79211	1.4
124.42046	1.7
128.06224	2.7
129.07019	11.0
131.04947	14.5
131.08583	3.5
135.04385	2.5
136.05142	1.7
137.02341	7.2
137.06000	28.1
141.07018	3.5
143.04936	4.9
143.08528	2.7
143.95067	1.5
144.05698	2.4
145.06497	11.4
145.10085	2.1
147.04445	4.0
147.08047	2.0
149.06007	13.0
151.03912	3.7
151.07559	11.9
155.08545	3.1
157.06496	8.3
157.10123	2.1
158.07294	2.2
159.08031	4.8
160.05179	3.2
161.05995	18.7
163.07590	16.4
163.11183	2.0
165.05501	4.8
165.06973	2.2
167.08484	2.2
169.06479	3.6
171.08072	4.6
172.08888	1.7
173.06044	5.5
173.09686	7.5
175.07564	27.8
176.08342	1.9
176.78195	1.6
177.05466	1.8
177.09103	7.3
179.07030	3.3
181.06601	1.6
183.08136	2.7
185.05925	3.0
185.09654	4.4
186.06758	1.7
187.07564	7.3
187.11203	2.7
188.08253	2.3
189.05484	2.4
189.09129	18.1
190.65172	1.5
191.07018	11.3
191.10689	13.8
195.08102	2.7
197.09683	2.5
199.07565	3.9
201.09062	9.2
203.07033	4.8
203.10672	9.5
205.08446	3.8
205.12273	15.0
213.09129	2.7
215.10617	8.1
217.08607	4.1
217.12196	11.0
219.10127	3.0
219.13806	3.6
221.11722	4.9
223.11171	2.1
227.10672	2.6
229.12257	6.1
231.13808	7.7
233.11729	4.4
239.10666	2.1
239.14455	2.3
241.12236	4.0
243.13942	2.6
245.15407	9.5
253.12177	2.4
255.13837	5.4
257.15652	3.1
259.16895	2.1
261.09149	2.9
267.13846	3.4
269.08112	5.4
269.15173	1.9
271.16928	3.5
273.18558	10.1
276.07932	1.6
277.08597	2.7
283.16794	2.0
285.14752	2.6
287.16446	3.5
289.17990	7.0
291.10208	2.8
306.08823	1.9
309.11255	3.3
315.10062	2.1
321.11258	5.8
325.14453	2.2
337.14462	2.7
339.12393	3.4
349.14514	2.1
353.21121	2.4
357.13232	2.5
367.15002	2.5
377.17346	4.3
389.17349	2.1
392.19797	5.6
393.20657	2.4
394.17725	2.2
395.18469	6.1
399.05075	2.3
405.20679	2.4
407.18521	5.5
412.18613	5.9
413.19977	4.5
423.21640	4.9
425.19461	3.7
433.23779	3.1
445.23685	4.7
451.24841	3.0
463.24799	42.9
470.27008	2.1
481.26001	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	481.259
Annotation	Tovophenone C
Peak:m/z	Relative Intensity
53.03952	1.6
55.01886	2.3
55.05514	3.0
56.76237	1.8
59.05001	3.2
67.05512	3.7
69.07076	23.1
71.51810	1.8
79.05504	3.2
81.03420	2.3
81.07070	6.6
83.05013	2.9
83.08636	1.9
91.05492	3.6
93.07054	3.9
95.04984	2.8
95.08631	2.4
103.05487	4.3
105.07060	3.4
109.10211	2.1
115.05447	4.0
117.07040	5.3
119.08627	1.9
123.04443	100.0
123.08108	1.7
128.06245	3.3
129.04890	1.4
129.07024	9.7
131.04962	12.5
131.08524	1.7
133.10153	2.0
135.04437	2.4
135.08093	2.5
135.11731	1.6
137.02348	6.8
137.05983	20.1
139.03830	1.9
143.04968	2.5
143.08597	2.4
145.06499	5.8
145.10129	3.3
145.64685	1.6
147.04391	2.4
147.08052	3.9
148.05127	1.7
149.06070	10.2
151.03958	2.1
151.07535	7.5
155.08598	3.2
157.06512	7.1
157.10085	1.9
158.07262	1.7
159.08087	2.7
160.05193	1.8
161.05997	14.9
163.07565	11.2
165.05423	1.8
167.08464	2.1
171.08057	4.6
173.05991	5.9
173.09639	4.5
174.06764	2.2
175.07562	26.1
176.08269	2.7
177.05423	1.9
177.09157	4.1
181.10226	1.7
183.08167	2.2
184.08890	2.3
185.09608	3.3
187.07562	9.5
188.08304	2.7
189.05524	2.5
189.09135	13.6
191.07016	8.7
191.10709	9.0
195.11862	1.8
199.07552	4.2
199.11124	2.4
201.09111	9.9
203.07069	2.6
203.10663	8.7
205.08585	3.6
205.12263	11.9
209.09698	1.9
211.07565	2.0
211.11391	2.0
214.09995	1.7
215.10675	6.8
217.08557	2.2
217.12291	11.0
219.10185	4.2
221.11783	3.7
223.07640	3.0
223.11168	2.6
225.09013	2.4
227.10768	3.0
229.08614	2.3
229.12300	4.2
231.10130	2.6
231.13783	11.5
233.11726	4.1
239.10605	2.5
241.08568	2.9
241.12242	3.5
243.13834	2.4
245.15370	9.5
247.16902	2.0
249.09053	2.2
255.13867	2.3
257.15448	3.5
259.16840	4.1
268.07233	2.1
269.08109	7.2
271.16891	1.9
273.18393	10.1
275.10477	2.0
275.19827	1.7
277.08630	2.3
279.10028	2.1
285.14859	2.2
289.08975	2.0
289.18039	5.9
295.09735	2.0
297.18454	2.0
301.08569	2.2
303.10083	2.4
305.11685	1.9
307.09650	2.8
309.11200	5.1
321.11151	3.3
323.20230	3.6
339.03317	2.2
339.12302	5.7
347.12817	3.0
353.21439	2.1
363.16174	2.6
377.17438	3.1
389.17236	2.3
392.19812	6.5
393.20578	4.3
393.63330	1.9
394.17722	2.1
395.18539	3.9
399.05289	6.1
407.18445	4.2
412.18839	5.3
413.19467	2.7
423.21780	5.6
425.19574	3.5
433.23645	2.2
445.23853	3.8
451.24756	2.8
458.09134	2.0
463.24817	39.4
464.51791	1.8
481.25909	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82149	1.2
52.18349	1.1
53.03927	3.4
54.40184	1.1
55.05502	2.4
56.96582	1.6
57.03427	1.7
58.06602	6.0
59.04998	3.3
67.05508	7.5
69.03432	9.2
69.07064	2.1
69.68896	6.2
70.06590	9.8
71.04995	3.2
71.06898	1.7
79.05077	1.4
79.05495	19.1
81.03426	10.9
81.07059	30.4
84.08151	2.0
85.02892	13.0
86.09708	2.1
87.04460	2.1
88.07639	6.5
89.07951	1.6
91.05484	7.0
93.03395	2.9
93.07045	44.0
94.07391	1.6
95.04956	3.1
95.08614	6.1
96.08919	1.6
97.02912	7.8
99.04461	3.3
103.05476	1.4
105.07014	4.1
106.02904	1.7
106.08665	2.2
107.04972	5.3
107.08582	4.6
108.97458	1.1
109.02856	6.1
109.10155	2.2
111.04455	8.0
119.08607	1.5
120.08099	1.6
121.06467	1.4
121.10146	33.9
121.11036	1.9
123.11655	1.3
124.03948	2.2
125.05983	2.8
125.14860	1.0
127.03935	5.8
131.08521	3.2
135.11670	2.6
139.11142	3.0
145.04944	1.6
149.09625	100.0
149.13234	3.3
150.13631	3.0
151.03967	1.2
151.07529	3.6
151.11134	1.7
160.07590	12.8
167.10674	35.4
169.12187	1.6
177.12772	1.3
234.98822	1.5
247.18982	1.6
269.08401	1.5
271.10678	1.4
283.20892	2.9
293.13910	11.3
300.21640	2.9
301.21997	9.3
311.14862	39.2
318.22757	7.6
319.23123	24.4
329.15906	13.8
437.13849	1.4
468.40564	1.2
481.12595	6.0
481.21030	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90531	3.9
53.08738	3.8
55.01870	6.1
55.05495	4.1
64.56518	3.9
69.07076	76.3
69.53918	11.6
69.54353	17.9
81.07072	12.8
83.04979	16.3
91.05464	4.7
93.07016	5.1
95.05013	5.4
95.08604	9.8
103.05512	8.9
105.07017	5.6
107.04971	4.9
109.10137	4.9
115.05410	5.2
117.06973	6.1
121.06527	4.4
122.03626	6.8
123.04432	100.0
128.06230	5.4
129.06995	11.8
131.04951	19.2
131.08609	5.8
137.02338	17.2
137.05991	93.4
141.07057	4.7
143.04865	5.2
143.08562	7.0
145.06477	12.3
147.04393	5.5
149.05975	12.5
151.03893	11.0
151.07532	31.1
153.06960	5.5
157.06552	11.1
159.08061	6.0
160.05141	5.0
161.05966	27.8
163.03923	5.8
163.07544	29.1
165.05501	9.7
169.06422	4.4
171.08009	9.5
173.06001	16.6
173.09674	5.2
174.06662	6.9
175.07559	33.2
177.05505	4.9
177.09140	14.7
187.07602	31.0
189.09018	21.9
191.06992	9.3
191.10706	11.4
193.08662	15.9
195.08098	6.8
197.09763	5.8
199.07538	10.1
201.09149	8.2
203.06960	6.8
203.08815	5.7
203.10638	19.6
205.08604	11.2
205.12193	20.4
210.06697	3.7
211.07542	14.0
213.09082	6.0
215.10663	4.6
217.08546	9.6
217.12137	6.6
219.08127	4.3
219.10095	5.3
221.11748	19.9
226.06189	10.5
229.08470	4.5
231.08069	9.0
239.07033	10.2
241.08537	11.5
245.15422	6.4
249.09117	4.6
251.06842	5.7
253.08571	5.4
255.06531	8.9
255.13785	8.4
256.07306	15.2
257.08124	14.2
259.16937	4.6
261.09125	5.4
263.06903	4.6
265.08661	6.0
267.06683	5.1
268.07251	7.6
269.08066	38.5
273.18576	9.1
274.29559	4.6
277.08502	19.9
278.09653	7.0
279.10254	8.0
281.08096	12.3
281.11728	5.6
285.14774	4.6
289.08679	7.4
291.10294	20.6
293.08093	5.0
294.08960	6.9
295.09732	8.0
297.11227	8.3
306.08685	6.0
307.09579	5.6
308.10535	4.6
309.11209	44.1
311.12753	4.7
321.11218	18.7
323.12753	11.7
324.13495	26.6
327.12292	27.2
337.14420	15.4
339.12241	20.3
349.14316	7.0
357.13654	6.3
377.17395	20.2
392.19986	30.9
394.18353	5.2
395.18466	40.8
405.20401	4.6
407.18631	6.4
409.12796	4.7
410.13831	6.3
412.18845	11.4
413.19562	11.5
423.10599	5.0
437.12311	7.3
438.13342	8.0
445.23581	9.1
451.24982	6.7
463.24823	74.7
476.20370	4.0
481.15002	95.7
481.25650	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
56.05037	0.5
58.06609	100.0
67.05515	1.2
69.03458	2.0
70.06602	1.1
71.04993	0.7
71.51733	0.3
72.08163	5.0
72.72289	0.4
73.08480	0.5
77.05522	0.4
79.05502	1.4
80.05824	0.5
81.03429	1.1
81.07074	1.6
82.07419	0.4
83.04993	0.5
84.04459	0.4
84.08158	0.7
85.02914	2.9
85.06557	2.2
86.06898	0.9
86.09741	0.8
87.04507	0.4
91.05495	1.7
93.07063	1.4
94.07408	0.5
97.02911	1.2
99.04494	0.5
105.07063	1.7
107.05049	0.7
107.08601	1.1
108.08961	0.7
108.80647	0.4
109.02899	0.6
109.06548	0.6
111.04482	0.4
115.03989	0.6
115.05496	1.1
116.07130	1.5
120.08160	0.5
120.08958	0.5
123.08073	0.5
127.03965	0.8
132.08104	1.9
133.06532	0.8
133.10135	0.7
134.10498	0.5
136.07632	0.6
137.06041	0.5
142.06517	0.7
143.07339	0.9
145.05005	0.5
147.11743	1.3
148.12007	0.7
151.07564	0.6
160.07602	36.8
176.11612	0.5
181.14278	0.4
184.07613	0.9
202.08635	2.4
205.13332	3.2
215.11972	0.6
216.59276	0.4
223.15266	0.7
247.18990	0.4
264.19556	0.8
265.19971	1.5
270.20651	0.4
271.11102	0.4
282.20691	2.0
283.20975	3.3
300.21671	2.1
301.22128	4.8
318.22766	2.7
319.23071	6.2
367.18704	0.8
403.10550	0.5
421.12106	0.6
426.43011	0.4
436.15750	0.5
481.21899	55.4
482.21896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73129	1.3
61.09510	1.2
62.19255	1.2
63.20750	1.2
65.04244	1.2
66.39289	1.2
67.05499	3.8
69.07068	2.6
71.52865	1.6
79.05497	2.8
81.03455	1.5
81.07068	2.6
90.31558	1.4
91.05473	2.6
93.07031	2.9
97.06528	5.2
105.07017	1.8
107.08615	2.1
110.94938	1.2
119.08576	2.2
123.04416	1.8
142.91014	1.4
146.03395	2.8
146.58286	1.4
174.02892	7.0
175.03728	3.9
187.07526	1.5
188.06671	1.7
205.08636	1.6
215.10486	3.3
217.08582	3.1
219.10257	2.2
229.34909	1.6
233.08159	4.0
245.07867	10.8
259.09528	3.0
289.10510	29.0
383.13779	1.4
397.12637	12.2
411.14310	4.0
412.14966	100.0
413.15710	22.1
415.41876	1.5
481.22021	67.1
481.27957	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	481.1704
Annotation	BRUCEIN B
Peak:m/z	Relative Intensity
55.05494	0.3
58.32078	0.4
60.46394	0.3
67.05519	0.4
68.92117	0.3
69.03439	0.6
69.07093	0.4
69.53538	1.4
69.53943	0.8
70.06601	0.6
84.08194	0.4
85.02892	0.4
91.05479	0.4
93.07049	0.7
99.04510	0.5
103.60956	0.4
105.07030	0.5
107.08569	0.5
109.02769	0.4
119.04981	0.4
119.08573	0.5
121.10176	0.4
127.03722	1.1
137.06009	1.0
147.04482	0.7
151.03979	0.6
153.01814	1.0
153.05345	0.4
169.04895	0.5
181.05008	0.4
181.69846	0.3
186.06535	1.0
193.04956	0.5
215.05330	0.7
229.06906	0.4
257.04343	0.5
259.05167	0.4
274.04602	0.5
275.04828	0.5
276.05386	0.7
291.08401	0.5
301.12018	0.6
302.03992	0.5
303.04779	0.6
304.04819	1.3
317.06665	3.9
318.06964	5.2
319.03625	0.7
319.07199	12.6
349.12570	1.0
371.29959	0.3
440.13034	0.5
481.16861	100.0
482.17233	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
53.45714	1.2
53.75857	1.2
57.03434	3.7
61.02928	4.4
64.40988	1.2
67.05513	4.3
69.03447	12.3
69.07088	1.4
70.06585	4.3
71.04994	2.2
71.25223	1.8
71.25553	1.2
72.08160	3.9
73.02906	2.1
77.20026	1.1
79.05492	3.7
81.03436	7.6
81.07069	5.0
84.04524	2.4
84.08144	3.6
85.02914	81.9
86.09697	2.6
91.03975	1.2
93.07018	1.8
95.04964	3.4
97.02297	2.2
97.02905	33.0
99.04475	2.9
103.03925	3.5
105.63813	1.2
106.02918	1.5
108.04520	1.7
108.08157	7.9
109.02888	11.7
116.07107	1.8
122.06058	6.9
124.03922	1.6
125.05997	5.0
126.05499	5.1
126.09185	2.6
127.03933	23.2
136.07587	15.0
137.05904	3.8
140.07080	58.5
145.02937	1.6
145.04974	34.3
150.09158	3.0
151.03915	3.9
152.07072	13.7
154.08664	5.2
163.03947	3.1
163.06039	15.7
164.07103	20.5
166.75919	1.3
178.08636	16.4
182.08150	100.0
182.63336	1.7
186.06778	1.3
206.08148	51.8
206.10094	2.5
218.08157	5.2
236.09172	3.6
248.09219	10.7
266.10226	5.8
284.11292	9.0
297.12735	2.0
298.25836	1.6
301.11755	1.3
302.12363	16.3
437.13840	2.1
481.12906	7.3
481.18921	1.5
502.39304	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
53.33080	0.4
55.01861	0.5
55.05519	11.5
57.03199	0.5
57.03445	5.3
57.07087	5.4
58.31902	0.4
61.02925	0.4
65.03951	0.5
67.05510	8.5
67.13448	0.4
69.07076	16.4
70.11030	1.6
71.04994	0.8
71.08636	3.0
79.05502	4.1
81.07059	10.6
83.05006	0.6
83.08624	11.7
85.06547	0.6
85.10165	1.4
86.09716	0.9
86.23210	0.4
91.05473	0.8
92.55101	0.4
93.06105	0.5
93.07053	5.8
95.08612	11.8
97.06528	1.5
97.10178	7.1
104.10740	1.3
107.08575	3.8
109.10149	5.3
111.08078	1.5
111.11740	1.7
121.10155	5.8
123.11700	1.2
124.01579	0.4
125.09650	1.1
129.07037	0.6
135.04448	1.3
135.11697	4.4
137.13228	0.3
139.11194	0.5
140.22112	0.3
140.23311	0.5
149.13246	1.4
151.14838	0.5
163.14810	0.8
180.95731	0.6
187.07579	0.4
196.59338	0.4
198.96703	1.1
216.06378	0.8
237.06310	0.4
247.24246	0.7
265.25235	1.5
267.64664	0.6
299.11761	0.5
308.29559	2.9
313.20834	0.5
315.42697	0.5
318.18762	0.4
339.28961	100.0
340.29141	1.1
349.66550	0.4
480.33344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1117
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
56.96554	2.0
58.06593	0.9
60.76954	0.8
64.61393	0.9
67.05518	1.1
68.26948	1.1
69.03431	1.4
70.06592	2.1
70.39976	2.5
81.07057	2.0
84.96020	1.0
85.02892	2.1
93.07063	1.9
93.63840	0.8
95.08625	2.0
95.13215	1.0
97.02883	1.7
98.20818	1.1
98.97606	5.5
105.03400	1.2
105.07067	1.0
109.02882	1.6
110.97583	2.7
112.99109	1.3
116.98627	1.4
121.10196	1.0
127.03970	1.2
128.98601	1.8
137.05986	4.5
147.04445	1.8
170.99611	1.0
177.00694	0.9
181.05014	1.2
183.95309	0.9
191.70689	1.0
219.01820	3.3
237.02885	4.6
254.04666	4.4
262.77722	1.0
283.04941	1.3
311.07971	1.1
362.18539	1.1
395.10248	3.8
413.11343	5.3
437.12064	12.5
481.11139	100.0
481.20511	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	480.3089
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.03945	0.6
53.33080	0.4
55.01861	0.5
55.05519	11.5
57.03199	0.5
57.03445	5.3
57.07087	5.4
58.31902	0.4
61.02925	0.4
65.03951	0.5
67.05510	8.5
67.13448	0.4
69.07076	16.4
70.11030	1.6
71.04994	0.8
71.08636	3.0
79.05502	4.1
81.07059	10.6
83.05006	0.6
83.08624	11.7
85.06547	0.6
85.10165	1.4
86.09716	0.9
86.23210	0.4
91.05473	0.8
92.55101	0.4
93.06105	0.5
93.07053	5.8
95.08612	11.8
97.06528	1.5
97.10178	7.1
104.10740	1.3
107.08575	3.8
109.10149	5.3
111.08078	1.5
111.11740	1.7
121.10155	5.8
123.11700	1.2
124.01579	0.4
125.09650	1.1
129.07037	0.6
135.04448	1.3
135.11697	4.4
137.13228	0.3
139.11194	0.5
140.22112	0.3
140.23311	0.5
149.13246	1.4
151.14838	0.5
163.14810	0.8
180.95731	0.6
187.07579	0.4
196.59338	0.4
198.96703	1.1
216.06378	0.8
237.06310	0.4
247.24246	0.7
265.25235	1.5
267.64664	0.6
299.11761	0.5
308.29559	2.9
313.20834	0.5
315.42697	0.5
318.18762	0.4
339.28961	100.0
340.29141	1.1
349.66550	0.4
480.33344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3094
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
51.74936	1.1
51.75187	1.1
55.05521	15.7
57.03419	4.0
57.07089	8.0
62.05797	1.7
62.06096	24.8
65.07527	1.2
67.05506	10.0
69.07072	21.2
71.08619	3.6
72.08159	1.7
79.05492	3.4
81.07066	12.4
83.04984	1.2
83.08617	13.7
85.10178	1.7
93.07043	3.7
95.08611	14.7
97.06543	2.1
97.10180	7.6
98.06059	3.5
98.20715	2.3
98.98505	6.4
105.07040	3.1
107.08624	2.8
109.10155	5.7
111.11728	1.9
121.09076	1.1
121.10119	4.9
123.04443	1.7
123.11727	1.7
124.01651	1.6
130.54350	1.2
133.06508	1.7
135.11702	2.3
137.06007	1.8
149.13275	2.3
155.01074	8.2
161.05995	4.0
193.08609	2.7
216.06354	4.6
220.08342	1.3
229.30547	1.5
265.25339	3.8
270.73044	1.2
293.14774	1.3
308.29510	45.4
311.41763	1.3
339.28983	100.0
399.25888	1.3
405.99390	1.3
419.25571	3.0
420.75830	1.7
462.29913	6.1
463.24643	2.3
480.30783	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	6.2
55.01886	6.9
55.05516	10.0
57.03452	6.2
57.07077	6.6
61.02932	7.2
66.07111	1.2
67.05511	15.0
68.99780	1.5
69.03432	34.0
69.07061	7.6
69.28603	9.8
69.62332	1.2
70.06587	1.7
71.05000	6.2
71.08639	1.3
73.02911	4.7
74.44786	1.1
78.60864	1.1
79.05492	4.1
81.03425	21.3
81.07067	37.3
83.01328	1.3
83.08619	11.7
84.08081	1.2
85.02912	100.0
87.00834	50.4
93.07049	4.0
95.08610	48.8
97.02295	2.4
97.02900	34.6
97.10181	12.6
99.04452	12.8
105.01875	90.2
107.04929	1.1
107.08612	4.1
108.04487	1.5
108.48127	1.3
109.02891	26.7
109.10164	55.6
109.65220	1.1
115.11248	2.5
117.01823	2.1
121.10147	3.4
123.11719	63.8
127.03926	74.5
129.01868	2.7
135.11688	5.3
137.13286	19.4
137.14287	2.4
139.14752	1.4
143.66713	1.2
145.04967	38.5
145.10097	1.5
147.02835	2.8
159.02898	10.1
163.11172	4.9
171.02856	1.6
177.16367	3.4
179.17960	50.5
189.04005	3.2
197.19031	44.8
213.03952	3.8
227.12801	7.3
228.18309	1.4
231.05003	33.9
249.06085	23.2
283.15411	16.2
287.20053	1.2
297.71829	1.1
420.98788	1.3
481.26236	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96753	0.9
53.03933	2.3
55.01885	2.3
55.05517	8.9
56.18988	1.1
57.03423	1.6
65.03937	1.2
67.05173	1.7
67.05505	19.6
69.03417	4.6
69.07053	4.2
69.53612	7.8
70.06577	3.6
71.05003	5.5
71.36036	1.0
72.07755	2.4
72.08157	46.9
73.02931	1.3
79.05494	21.8
81.03429	5.6
81.07058	25.5
83.04977	6.2
84.08141	1.7
85.02915	11.1
85.06532	2.4
90.09192	1.5
91.05482	23.7
93.07048	18.4
95.04961	7.3
95.08607	6.9
97.02881	3.1
97.06537	9.3
105.06385	1.9
105.07035	19.8
107.04968	6.0
107.08588	12.0
109.02882	1.3
109.06514	4.0
109.10170	1.9
111.04462	1.6
111.08081	2.1
115.07565	1.3
116.07079	1.8
117.07009	2.0
119.08589	12.5
121.10169	6.7
123.08081	1.3
124.03953	1.9
125.05964	1.3
127.03867	1.4
129.07014	2.5
130.08621	1.4
131.08597	5.4
133.06485	5.0
133.10139	10.9
135.08078	1.6
137.05975	1.3
137.09589	2.1
139.09998	1.2
145.10172	1.2
147.07976	1.2
147.11687	18.9
149.09633	3.1
150.05583	1.5
151.07513	1.6
151.11180	2.0
157.10091	5.2
160.07588	1.5
163.11255	1.2
165.12735	1.3
175.11186	7.0
186.07610	1.5
189.30493	1.0
193.12187	5.1
221.63542	1.2
226.08881	1.0
246.18596	2.3
259.11108	1.4
264.19644	12.6
282.20636	21.7
300.21698	99.4
301.21701	1.3
318.22760	100.0
319.23117	1.4
339.45901	1.4
371.69553	1.2
374.78436	1.1
462.26797	2.6
480.13956	1.6
480.20212	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35580	1.8
55.01859	2.7
55.05508	4.2
57.03435	3.8
59.48671	1.5
61.02920	3.8
65.93044	1.4
67.05501	10.7
69.03423	7.1
69.07082	8.3
70.06596	4.1
71.05001	3.5
71.52335	1.8
73.02917	1.8
79.05495	11.9
81.03418	4.2
81.07066	15.4
83.08625	4.4
84.08154	3.3
85.02898	11.9
85.06538	2.7
86.09713	1.6
87.00826	3.9
88.58244	1.4
91.05495	11.4
93.07053	21.3
95.04971	5.5
95.08619	24.5
97.02897	6.1
97.06531	11.6
97.46945	1.4
99.04450	3.8
105.01890	2.2
105.07040	14.7
107.04934	5.3
107.08613	18.9
109.02892	4.5
109.06528	4.4
109.10165	4.1
111.08081	2.7
111.13043	1.6
113.09673	1.9
117.07004	3.9
119.08598	13.9
121.02852	2.4
121.06481	3.0
121.10143	8.7
123.08070	6.8
125.05990	25.0
125.09631	5.5
127.03928	6.3
131.08443	2.3
133.10130	5.0
135.11702	25.5
136.68839	1.6
137.06006	5.0
138.09221	2.1
139.07539	4.1
141.09053	2.7
145.04991	2.6
145.10149	17.4
147.11705	15.2
149.13235	3.7
163.11182	34.6
165.12930	2.0
173.09583	2.1
175.47246	1.8
177.16371	1.9
179.10654	3.3
179.14320	4.4
181.12227	9.7
197.15376	6.7
198.50945	1.6
209.11723	1.8
215.16446	3.1
219.17473	1.9
227.12794	46.8
247.17104	2.5
265.18250	3.3
282.45197	1.7
283.15421	100.0
318.07016	3.5
366.53622	1.9
409.18726	8.6
445.20529	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	480.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72606	0.5
53.03947	1.3
55.01870	1.0
55.05523	3.7
57.03428	1.4
58.06348	0.6
58.06604	7.3
60.13571	0.4
61.02934	0.7
65.03929	0.7
67.05512	14.1
69.03437	5.6
69.07075	4.4
69.71422	2.9
70.03760	0.6
70.06602	26.7
71.05009	2.4
72.08159	1.0
72.30467	0.5
79.05075	0.7
79.05505	9.5
81.03429	5.5
81.07066	17.8
82.03757	0.5
83.04979	1.9
83.08629	2.9
85.02911	8.6
85.06539	0.7
86.03252	1.1
87.00819	1.6
87.04476	0.5
88.07645	19.1
91.05489	4.7
93.07053	18.5
95.04994	2.7
95.08617	11.6
97.02886	2.8
97.06513	0.9
97.10164	1.1
98.20756	0.7
99.04469	1.5
105.07018	2.1
106.08682	11.5
107.04984	2.3
107.07877	0.7
107.08604	12.0
109.02895	3.3
109.06538	1.5
109.10169	8.9
110.03232	1.4
111.04459	1.1
111.08070	1.6
117.07019	1.9
119.04967	0.8
119.08591	1.5
121.06506	1.7
121.10155	4.5
124.03972	3.0
125.06004	1.0
127.03928	6.1
128.04289	2.0
131.08565	2.2
133.10143	2.6
135.04413	0.6
135.08087	1.8
135.11717	6.1
147.11594	0.6
149.09613	1.9
149.13278	23.4
150.05501	1.6
151.03943	1.1
151.06435	0.9
151.07568	10.1
151.11234	0.7
151.32385	0.6
153.05484	2.9
159.11717	4.0
163.03963	0.6
167.10696	0.6
168.06540	0.5
177.12790	4.8
181.04942	0.5
194.15486	1.0
195.06517	0.6
195.13802	1.4
206.15402	1.2
212.16420	0.7
232.05276	0.7
246.18550	2.2
264.19608	8.0
268.08148	2.9
282.20670	14.6
300.21732	35.4
318.22781	100.0
319.23059	1.1
340.07260	0.6
449.81915	0.5
458.78369	0.5
462.09509	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.3
53.39080	0.7
54.02451	0.8
55.01869	2.1
55.05510	3.4
57.03431	2.7
61.02925	1.2
67.05510	6.0
69.03443	4.2
69.07085	4.9
70.06023	3.0
71.04983	1.5
73.02912	0.8
79.05492	9.3
81.03419	3.5
81.07063	8.8
83.04978	1.5
83.08624	3.9
84.08143	1.1
85.02915	7.0
85.06543	1.3
87.00817	2.4
91.05493	6.6
93.07058	14.4
95.04966	3.2
95.08617	16.7
97.02897	4.5
97.06529	7.3
97.10192	1.0
98.21463	1.0
99.04465	2.8
105.01861	1.2
105.07033	8.3
105.92281	0.9
107.04958	4.0
107.08618	13.4
109.02862	1.4
109.06518	3.4
109.10143	2.6
111.04452	1.1
111.08074	2.3
113.09636	2.2
117.07027	3.5
119.08592	7.2
121.02884	3.8
121.06528	4.2
121.10164	7.6
123.08078	5.1
125.05975	5.2
125.09628	3.2
127.03916	2.6
127.80152	0.8
129.07071	0.8
131.08589	1.6
133.10149	2.2
135.08066	1.2
135.11707	20.1
137.05952	1.4
139.07526	2.2
141.09102	3.3
145.05002	1.3
145.10146	14.3
147.11694	8.9
149.13269	1.6
154.32404	0.8
157.08662	0.9
161.13228	0.9
163.11206	33.4
165.12727	1.4
166.65724	0.8
173.09746	1.6
179.14326	3.6
181.12257	7.2
183.13815	1.2
197.15356	3.2
209.11768	1.1
227.12796	46.4
231.13945	0.8
265.18088	1.0
283.15424	100.0
284.15714	1.0
318.06946	2.5
323.18839	1.2
383.20529	1.5
409.18585	4.2
445.20447	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01873	1.7
55.05519	3.4
57.03445	4.1
59.76330	0.7
61.02917	2.0
65.03912	0.7
67.05508	6.6
69.03439	4.5
69.07075	5.3
70.06596	1.3
70.23269	2.7
71.04992	1.8
72.12518	0.7
73.02921	0.9
77.44002	0.8
79.05505	8.9
81.03417	2.7
81.07075	9.2
83.04976	1.6
83.08633	4.6
85.02915	6.6
85.06538	1.6
86.09724	1.2
87.00826	1.4
91.03970	1.3
91.05482	5.7
93.07060	14.4
95.04975	2.9
95.08619	16.8
97.02908	4.2
97.06545	4.8
99.04446	2.7
99.08095	1.0
105.01891	0.8
105.07053	8.2
107.04968	3.8
107.08604	10.9
109.02872	2.5
109.06503	2.4
109.10180	2.3
111.04433	1.2
111.08092	1.7
113.09677	1.3
117.07030	4.2
119.08592	7.9
121.02882	5.0
121.06496	2.8
121.10155	8.5
123.08096	3.8
125.06011	4.6
125.09629	2.8
125.14742	0.8
127.03896	2.3
127.07600	1.1
133.10117	2.5
135.08034	1.3
135.11713	18.2
137.05988	1.8
139.03917	2.4
139.07506	1.9
141.09113	1.4
145.10133	13.9
147.11687	6.9
160.51216	0.7
163.03830	1.0
163.11208	33.4
165.09123	1.1
165.12744	1.3
166.08655	0.9
177.16321	0.8
179.14334	3.3
181.12244	5.8
197.11719	1.3
197.15395	2.3
198.23488	0.7
203.17938	1.0
209.11754	1.5
215.16420	0.7
227.12787	46.3
247.13480	0.8
262.08032	0.7
265.17978	1.6
283.15424	100.0
284.15891	0.8
301.16559	0.9
318.06897	5.0
332.48978	0.7
383.20490	1.1
409.18597	2.8
427.19034	0.9
445.20847	2.3
480.29855	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
54.15649	1.2
55.01880	2.4
55.05518	3.0
57.03441	1.7
57.07083	46.2
61.02938	2.5
62.06094	1.7
64.20220	1.1
64.68625	1.2
67.05514	2.2
69.03451	8.8
69.07079	2.1
69.54097	8.6
70.06594	3.1
71.04993	3.0
72.08147	1.3
73.02940	2.4
79.05511	1.2
80.42168	1.1
81.03418	11.5
81.07088	7.1
81.07476	1.1
83.05009	2.4
84.08159	1.8
85.02915	20.8
85.06556	62.1
86.09714	1.6
87.00831	10.6
91.05467	1.6
93.07059	3.5
95.08604	2.9
97.02898	11.3
98.20726	1.2
99.04471	4.4
103.58995	1.6
105.01876	9.2
105.07037	2.0
107.08621	1.4
109.02901	14.8
109.06528	4.4
109.10138	1.5
110.72549	1.1
111.04475	1.5
112.59633	1.1
113.06045	7.1
114.33540	1.2
120.04455	1.2
121.02923	1.8
121.10163	2.1
123.04462	6.8
123.08108	1.3
123.11731	5.1
125.05933	1.9
127.03934	22.2
129.01865	1.3
135.11736	1.5
136.03960	3.0
137.06021	9.3
139.03880	1.6
140.93210	1.3
143.94331	1.3
145.05003	4.1
151.07535	1.4
151.11191	2.6
154.04945	1.7
159.02931	3.5
163.03937	5.3
165.05540	2.7
169.12279	5.5
179.10724	2.8
181.12286	4.1
183.06552	2.6
195.06508	1.6
197.11763	100.0
212.59163	1.5
213.03900	2.4
215.12828	8.5
221.07939	1.6
231.05046	5.5
236.07063	1.4
239.12811	5.5
264.49884	1.3
277.14484	1.4
280.60492	1.2
281.13882	4.7
298.09140	2.4
303.04572	1.5
303.16003	1.3
305.13962	4.7
323.14993	6.3
366.17731	1.4
391.13864	1.5
427.15814	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	480.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92045	1.4
56.96564	3.6
69.03442	2.2
69.22989	14.0
70.06595	32.7
81.03433	1.6
84.08142	5.1
84.96047	2.0
85.02897	4.8
89.03938	5.1
97.02899	4.1
98.20707	2.9
98.97581	10.7
101.00870	8.7
110.97575	4.1
113.00867	1.5
116.07112	3.2
116.98647	3.8
117.03379	5.8
119.01929	14.1
121.06549	1.4
124.99136	2.6
127.02418	1.9
127.03925	2.9
128.02263	1.7
128.98639	2.3
130.08621	1.7
131.01898	4.4
135.04448	12.0
143.00179	2.8
143.01920	18.1
145.02782	5.0
145.03528	5.3
145.05038	1.5
147.01399	1.6
152.05652	2.3
155.01913	11.3
156.05101	2.7
157.03476	5.3
158.99672	5.3
161.02962	14.1
163.03918	71.3
164.04272	2.2
167.01895	10.4
169.03502	3.7
170.06639	14.6
170.99672	4.1
171.05080	1.8
173.02959	16.5
174.06137	3.3
175.04402	1.9
175.50073	1.4
177.00737	2.3
179.01932	4.1
180.05083	2.7
181.03438	1.6
182.03444	1.8
182.06648	3.0
182.99738	3.6
185.02966	37.2
187.04565	5.0
189.00694	2.3
190.03922	2.3
191.03883	3.2
197.02994	14.6
198.06136	100.0
199.06259	2.9
201.00722	4.5
203.04045	6.9
210.06123	8.3
214.96181	2.0
215.04054	6.3
216.07198	80.2
219.01738	4.3
227.03998	7.4
228.07257	14.3
234.08252	6.7
237.02892	4.4
239.08652	2.0
240.07211	4.7
245.05103	92.7
246.05225	3.8
249.02895	4.0
257.05002	4.7
258.08249	37.2
261.02838	7.6
263.06149	10.2
267.03830	1.8
269.76547	1.5
270.02670	1.8
272.06451	3.9
275.06125	14.7
279.03922	3.5
281.07104	4.4
287.06165	3.5
288.09271	12.5
291.03738	6.3
293.07428	2.8
300.09320	4.0
305.07166	12.0
318.10388	8.2
321.04984	4.5
333.06024	1.5
335.08243	3.6
351.06467	1.6
360.11462	2.7
362.09418	1.9
365.09265	11.1
381.06799	2.4
480.15765	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	480.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17009	0.6
69.17416	4.0
70.06595	21.8
82.99865	2.3
84.08154	1.0
94.99896	0.6
97.02935	0.5
97.10228	0.4
98.20788	1.0
101.00886	10.5
105.72462	0.5
106.24892	0.5
113.00877	1.7
119.01926	8.1
127.02428	2.8
128.05501	0.4
129.03915	0.5
131.01929	2.9
138.03940	0.5
139.02411	1.5
143.01912	17.0
145.03474	6.6
151.88374	0.5
152.05545	5.2
155.01910	9.6
156.05052	2.2
157.03474	4.0
161.02975	9.4
167.01909	10.2
168.02162	0.6
169.03497	3.1
170.06650	11.3
171.04971	1.0
173.02977	9.1
174.06123	1.4
179.01859	3.4
180.05052	2.4
182.06609	1.6
184.04578	0.5
185.02969	26.0
187.04562	2.8
192.05174	0.5
196.04770	0.5
197.02986	9.9
198.06133	100.0
199.06297	1.9
203.03996	5.3
209.02992	1.1
210.06157	7.7
212.07703	1.1
213.76999	0.5
215.04016	5.3
216.07196	47.9
221.04973	1.0
222.06168	0.5
227.04063	7.2
228.07211	10.7
230.08716	0.7
234.08209	3.0
239.03897	0.7
239.06197	0.7
239.08771	1.2
240.07176	2.8
242.08792	1.2
245.05096	70.7
246.05269	1.2
246.08286	1.5
252.07277	1.2
257.05109	3.2
258.08258	30.4
259.08417	0.6
263.06168	7.8
270.08243	1.4
275.06143	10.6
276.09225	1.1
282.08258	0.6
288.09317	7.9
293.07101	2.1
300.09280	3.7
305.07196	8.5
318.10422	6.2
335.08234	2.5
336.11447	0.9
351.11496	0.6
360.11652	1.1
365.04971	0.8
365.09305	6.8
480.15643	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	479.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37522	2.9
53.86404	3.2
55.05507	10.2
57.07081	7.2
58.11772	3.1
65.03951	3.5
67.05510	16.2
69.07062	32.1
70.01833	12.9
71.04999	13.1
79.05502	11.1
81.07067	48.9
83.08635	15.1
91.05486	9.6
93.07053	10.3
95.08619	42.2
97.10172	4.0
103.05482	5.1
105.07048	7.7
107.08604	4.7
109.10172	16.3
117.07030	11.0
119.05000	3.8
121.10143	4.5
122.03674	6.9
123.11716	8.0
128.06242	4.2
129.07005	5.4
131.04936	20.2
131.08575	11.7
135.11708	11.3
137.05988	86.1
137.13297	28.0
141.07007	11.6
143.04895	3.3
143.08592	7.3
145.06508	22.0
151.03911	4.0
151.07556	31.1
157.06514	6.3
159.08058	9.0
160.05273	4.5
162.06822	5.1
163.07590	20.1
165.09106	7.7
169.06477	6.8
171.08069	5.8
174.06805	7.3
175.07584	39.4
177.09111	38.6
186.06836	6.3
187.07599	13.0
189.09103	29.6
191.10706	20.3
201.09142	40.4
203.10735	20.7
211.07465	8.6
213.09091	7.4
215.10533	4.5
217.12155	3.6
219.10158	20.0
219.13953	3.7
221.11772	9.3
225.09172	8.8
229.12267	5.3
233.09596	6.1
237.09128	4.2
239.06981	4.4
240.07864	17.4
241.08646	15.1
245.09666	6.3
249.09109	5.4
251.10654	5.0
253.08694	6.3
254.09404	9.6
255.06561	3.9
255.10284	8.8
256.07324	10.0
261.09149	4.7
263.10773	6.3
265.08810	4.2
265.12146	5.4
266.09488	4.2
267.10306	4.5
267.13766	4.1
268.07275	5.3
269.08160	16.0
270.08884	12.1
271.09644	52.2
271.16885	7.0
273.18524	9.6
277.08749	6.2
277.12259	12.5
279.10193	8.0
282.08929	5.4
283.09653	35.3
284.10483	21.1
285.11252	5.3
290.09549	4.8
291.10251	7.0
293.11664	3.8
294.12424	7.7
295.09680	6.7
297.11340	11.2
299.20160	6.4
305.11792	14.0
307.09637	6.2
307.28549	3.6
308.10367	3.7
309.11331	26.5
321.11310	3.5
322.12030	7.8
323.12802	10.8
324.13525	4.6
325.14456	7.5
337.14346	32.4
337.21185	3.3
339.29001	25.3
351.15884	4.8
355.15417	100.0
355.22171	4.3
356.15469	4.0
395.18594	12.8
406.21268	7.6
408.22998	6.2
419.22263	25.3
433.23605	33.2
461.26883	84.9
479.27832	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.7
55.01870	6.3
55.05506	1.7
57.03440	5.0
57.07063	1.8
61.02923	5.7
65.03953	2.4
67.05500	3.2
68.99790	3.4
69.03434	37.4
69.03819	1.9
69.07071	4.2
70.06596	5.6
71.01362	1.1
71.05000	4.0
71.52625	1.2
73.02905	3.0
79.05486	1.7
81.03425	20.7
81.07063	3.6
83.08616	1.4
85.02912	90.4
85.06506	1.7
86.09704	3.1
87.00835	45.8
91.05476	1.0
93.07042	2.9
95.04967	1.6
95.08627	5.5
97.02291	1.9
97.02897	25.5
97.10178	1.3
99.04459	8.6
105.01872	59.0
105.07056	1.2
107.08595	6.1
107.17974	0.9
108.02110	2.4
108.06086	1.0
109.02133	1.7
109.02887	30.3
109.10158	4.5
111.04444	3.5
115.03925	1.6
117.01866	1.0
119.08543	1.1
120.08110	2.2
121.10143	13.1
123.11716	3.1
125.05950	1.4
125.09631	1.1
127.03927	63.9
129.01848	1.7
135.11700	6.4
137.06035	1.1
137.13251	1.5
139.11171	4.3
141.05458	2.2
145.04971	21.0
147.02928	1.3
149.13266	1.1
151.03922	100.0
151.05028	8.3
159.02881	6.5
165.16368	2.2
169.04984	2.4
177.05443	1.5
177.16400	16.8
183.14983	1.3
189.03957	1.8
191.07001	1.2
195.15828	1.6
195.17461	16.2
213.03981	4.3
213.18472	2.0
229.08601	1.9
231.02762	1.1
231.05023	19.2
233.08075	2.8
249.06123	3.2
295.08282	1.2
298.59528	1.1
313.09464	1.4
317.06583	2.6
430.84753	0.8
479.24008	1.2
502.21729	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92443	3.0
55.05512	5.4
55.83604	3.3
57.07056	4.4
67.05499	15.2
69.07085	16.4
69.68161	8.4
69.68576	9.5
73.85088	3.3
76.52593	3.5
79.05502	10.2
81.07069	57.5
83.08619	5.0
91.05489	6.7
93.07051	6.4
95.08624	39.8
98.74347	3.8
106.21201	3.3
109.10174	12.8
115.05461	4.7
123.04420	23.2
123.11710	7.0
124.93763	4.0
129.06992	4.3
131.04991	4.5
131.08675	3.5
135.04431	100.0
137.05965	10.0
137.13274	31.1
145.06483	5.5
149.02379	11.1
149.06029	9.9
153.12869	3.5
157.06584	4.1
161.06035	7.0
163.07487	4.8
173.06004	21.8
175.07622	6.0
185.06050	7.3
187.07591	15.2
197.33725	3.3
199.07465	4.3
203.07065	11.6
213.09282	3.6
215.07045	4.9
231.08005	4.9
235.07504	3.9
239.07076	5.1
249.09125	5.4
261.09198	7.0
266.05637	5.0
267.06482	10.1
277.08670	6.0
289.08542	6.0
291.10074	5.2
307.09689	10.5
309.11224	4.0
309.18533	6.4
315.27463	3.5
319.09622	9.1
325.10608	6.2
337.10788	8.8
339.19412	3.7
341.10486	3.8
390.18250	11.1
403.19049	3.8
431.21707	4.4
443.22101	12.2
461.23334	36.6
479.24796	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	479.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05503	1.2
55.84176	0.5
57.03437	0.4
57.07081	0.7
58.06596	1.5
60.04510	0.7
60.05655	9.7
67.05498	0.9
68.99776	0.5
69.03456	2.3
70.06600	52.7
71.05004	4.3
71.37589	0.7
72.08167	5.4
72.99118	0.4
73.06440	0.5
73.08453	0.6
74.02425	2.6
79.05499	1.6
81.03419	2.8
81.07076	0.9
83.04989	1.0
84.04491	0.9
84.08149	1.4
85.02912	2.9
86.02455	0.6
86.09721	0.7
87.00842	0.5
88.07632	1.6
91.05490	0.9
93.07069	0.7
95.06100	3.3
96.04471	0.6
97.02886	2.1
97.07655	1.4
98.06065	1.8
99.04475	1.2
102.04852	0.4
104.03450	2.4
105.07041	0.8
106.02911	0.4
107.04972	0.7
108.04507	1.5
109.02879	2.9
110.06045	0.6
111.04462	0.6
111.05530	0.5
112.07580	1.1
112.08743	9.6
113.07143	3.4
114.05539	3.0
114.10275	1.2
115.04089	0.5
115.07981	0.6
115.08713	6.9
116.07105	13.1
119.08561	0.6
121.02747	0.4
122.06033	0.9
123.04485	0.9
124.03983	0.5
126.05569	0.7
127.03928	3.6
130.09779	4.3
131.86617	0.4
136.07617	0.6
136.95122	0.4
137.07127	3.9
138.05518	3.0
138.06636	2.1
139.05063	4.6
139.08713	1.1
140.07104	2.0
140.08116	0.5
141.06569	0.7
144.06468	0.5
145.04982	0.6
146.04422	0.4
146.10455	0.4
148.08434	0.8
151.03923	0.4
156.06573	2.0
157.09729	1.5
157.10864	0.5
158.08133	2.0
158.09290	6.8
159.07779	0.6
160.07626	0.5
163.03929	0.5
165.06734	0.5
174.10030	0.6
175.11929	24.4
178.08646	0.4
178.29193	0.5
178.72784	0.4
180.07706	3.5
182.09245	2.6
183.07661	3.0
184.05960	6.0
184.07066	0.9
184.74194	0.5
199.11919	1.3
200.10316	1.4
201.08582	1.2
201.10118	0.8
202.07204	2.1
208.07129	1.2
213.03964	0.6
217.13010	2.1
218.15616	0.5
219.15855	1.3
226.08269	5.3
237.16965	0.7
243.10922	43.6
254.17509	0.6
263.18393	0.8
268.09317	0.7
280.19104	1.1
281.19434	2.7
299.20541	2.1
317.06686	3.2
317.10010	0.5
317.21585	0.6
352.38037	0.4
370.12134	0.8
379.86462	0.5
387.15268	0.7
388.13702	1.3
405.16367	2.7
479.23553	100.0
480.24011	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1187
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
53.03912	0.2
55.01847	0.4
55.05481	0.3
57.03414	0.2
58.06585	0.2
67.05489	0.4
68.99783	0.2
69.03385	0.3
69.07040	0.2
69.29913	1.0
69.30334	0.5
70.06559	0.3
79.05469	0.5
81.03374	0.4
81.07039	0.6
85.02926	0.4
85.06521	0.2
91.05436	0.5
93.07001	0.5
94.04102	0.3
95.04948	0.3
95.08593	0.5
97.02865	0.3
105.07008	0.3
107.04953	0.8
107.08555	0.3
109.06514	0.4
111.04404	0.2
111.90336	0.2
119.08553	0.3
121.06491	0.6
121.10141	0.3
124.03982	0.2
125.02340	0.3
125.05939	0.2
127.03849	0.3
135.03551	0.2
135.04433	2.4
137.05981	0.4
145.06500	0.2
149.05891	0.2
149.09570	0.2
151.03947	1.0
153.01794	0.8
153.05435	0.6
155.03419	2.0
165.09093	0.5
168.00581	0.4
169.01343	4.9
169.02791	0.3
171.02972	0.2
180.68747	0.2
181.01321	0.9
187.07539	0.2
195.06532	0.4
203.03328	0.2
215.07050	0.2
217.04991	0.2
228.04189	0.5
229.05029	0.4
245.04427	0.5
246.05280	2.3
257.04517	0.5
261.07498	0.4
271.06137	0.3
273.03925	0.7
274.04742	4.2
285.03885	0.7
286.98291	0.2
288.06299	0.4
302.04260	5.3
303.04645	0.3
317.06570	100.0
318.06885	1.0
322.94937	0.2
333.06082	0.3
346.07336	0.2
387.24545	0.2
479.11877	12.0
480.12479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	78.0
57.03428	2.7
58.06606	13.6
61.01158	46.8
69.03417	1.5
69.07069	1.5
70.02961	3.2
70.06551	7.0
72.03178	1.0
72.08151	2.5
73.02908	2.0
74.06087	100.0
75.02716	2.1
75.76815	1.0
75.86460	1.0
79.05518	1.6
82.06593	3.5
83.06129	1.1
84.04507	10.3
84.08141	3.9
85.02898	2.0
86.09717	39.3
88.03993	5.2
91.05495	2.2
100.07644	1.6
101.07136	3.7
104.05342	82.5
108.04491	7.4
110.06028	6.1
110.07182	1.4
111.05576	2.7
112.11251	2.2
125.07124	4.9
126.05521	23.1
127.08707	5.6
129.06598	3.7
129.10191	2.0
130.05002	2.8
130.06833	2.1
132.10223	25.0
136.03967	2.7
138.05475	2.6
140.34261	1.0
141.13869	4.0
144.06575	19.8
145.06119	2.8
151.03931	1.1
153.06584	3.9
154.04997	2.1
156.04797	7.4
158.11734	1.6
162.06314	1.5
167.01357	1.2
169.13364	4.9
171.07672	6.8
173.07433	2.1
174.05870	23.1
175.09033	1.3
181.06078	1.6
187.14456	12.3
189.08754	13.7
193.08592	1.2
197.12914	7.5
199.07188	2.9
201.05179	1.5
201.06969	22.2
202.05328	4.2
211.14268	1.2
215.13936	49.7
215.16020	2.5
217.08228	20.3
219.08038	18.6
233.14986	88.3
243.13399	4.6
247.07503	52.9
284.16025	5.8
286.08542	1.6
302.11655	2.1
304.09503	2.6
312.15854	1.5
317.06583	10.6
320.12793	1.7
330.11185	8.6
330.16608	18.6
348.12234	38.3
348.17542	7.0
358.16107	1.7
371.17419	1.7
415.20071	3.5
443.19733	8.1
461.20657	20.6
479.21661	4.0
480.00800	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
61.02933	7.4
65.70003	0.3
69.03429	0.9
69.24392	0.6
69.24799	2.4
73.02930	1.9
81.03426	0.4
85.02433	0.5
85.02918	6.8
90.13068	0.3
91.03973	3.6
97.02904	3.9
107.04965	1.5
112.65103	0.3
115.03941	0.4
121.02903	0.9
127.03935	1.4
134.03662	0.7
145.04939	0.8
168.00652	0.4
169.01370	0.5
228.04140	1.6
246.05298	0.5
257.04462	0.6
273.03912	1.0
274.04785	1.2
285.03928	3.0
301.03488	3.4
302.04245	46.4
303.04770	0.4
317.06592	100.0
318.06784	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1189
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
50.53995	0.2
52.28589	0.1
55.01863	0.2
57.03425	0.7
59.61673	0.2
61.02933	6.4
64.93652	0.2
67.05491	0.2
69.03429	1.2
70.06272	0.8
73.02931	1.7
73.74200	0.2
81.03412	0.7
81.07063	0.2
83.08630	0.2
85.02910	5.8
91.03960	3.5
92.02642	0.9
93.03410	0.9
95.04958	0.2
97.02898	3.2
99.04456	0.4
105.07035	0.2
109.02871	0.3
111.00782	0.2
115.03967	0.2
115.67930	0.2
115.68791	0.2
121.02882	0.9
121.10149	0.2
126.03139	0.3
127.03920	0.9
139.03911	0.8
145.04955	0.7
145.06190	0.2
151.03920	0.7
153.01839	7.1
155.04933	0.2
162.76247	0.2
165.01834	0.5
173.06050	0.2
177.05444	0.3
190.06232	0.2
193.12273	0.5
201.05525	0.7
203.03543	0.3
217.05000	0.6
218.05818	0.5
219.72388	0.2
228.04231	0.9
229.05011	3.2
231.02983	0.3
245.04439	1.2
246.05255	1.7
256.03781	0.2
257.04474	2.6
260.03284	0.4
261.07645	0.4
271.06067	0.2
273.03891	1.4
274.04721	3.8
284.03247	0.5
285.03937	4.3
285.17117	0.3
302.04221	11.9
317.06577	100.0
318.06796	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1189
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.08498	0.1
55.01870	0.1
65.03957	0.2
66.64447	0.1
68.99789	0.2
69.03433	0.4
70.06595	0.2
70.21758	0.2
70.22108	0.3
77.72211	0.1
81.03432	0.2
81.07066	0.1
81.10033	0.1
85.02909	0.6
87.04482	0.3
91.05489	0.2
92.02628	0.8
93.03419	1.0
95.08610	0.2
97.02892	0.5
107.04968	0.2
107.08619	0.1
109.02883	0.2
111.00828	0.2
115.03951	0.2
119.04926	0.1
120.37949	0.1
121.02872	1.0
123.04437	0.2
126.03123	0.4
127.03916	0.1
133.02917	0.1
133.05058	0.1
133.95966	0.1
135.04446	0.1
137.02338	0.2
139.03915	0.5
147.04399	0.9
148.04758	0.4
149.02431	0.1
150.03178	0.1
151.03932	0.9
153.01839	7.9
163.03935	0.5
163.15910	0.1
165.01831	0.8
165.05414	0.1
166.02557	0.1
173.06020	0.2
177.05516	0.4
177.16479	0.1
179.03354	0.1
183.02940	0.3
189.05513	0.1
200.04790	0.2
201.05452	0.9
203.03299	0.6
217.04927	0.8
218.05774	0.7
219.02895	0.2
228.04181	1.6
229.04987	2.7
231.02917	0.4
239.03442	0.2
243.06590	0.2
245.04489	1.4
246.05252	2.4
256.03787	0.2
257.04477	2.3
258.05014	0.1
260.03256	0.6
261.07645	0.3
271.06027	0.4
273.03955	2.0
274.04742	4.8
284.03122	0.6
285.03973	3.3
287.02090	0.3
288.06195	0.1
299.05905	0.1
301.03336	0.3
302.04239	14.6
305.01541	0.1
317.06583	100.0
318.06851	1.0
347.07611	0.3
479.11850	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03937	0.5
55.01866	0.5
55.05516	10.3
57.03444	7.0
57.07086	1.5
62.06079	0.5
64.71982	0.2
65.03928	0.8
67.05511	22.5
69.07074	14.5
69.22733	0.3
69.23139	1.6
71.04977	0.7
71.08622	0.8
79.05499	6.3
81.07062	23.2
82.07388	0.3
83.04976	0.8
83.08625	7.3
83.09120	0.4
85.06538	0.4
85.10187	0.3
91.05488	4.1
93.07052	6.4
95.04968	0.5
95.08614	17.5
97.06532	1.3
97.10179	3.6
98.98487	0.4
99.08099	0.6
101.06022	0.2
105.07048	2.8
107.08604	3.7
109.06509	0.3
109.10168	6.3
109.10930	0.3
109.11710	0.2
111.08086	0.9
111.11704	0.6
119.08586	2.3
121.10148	2.8
123.08070	0.5
123.11713	2.5
124.01595	0.4
125.09646	0.3
130.72678	0.2
131.08586	0.2
133.10133	2.7
135.11697	1.4
137.09622	0.3
137.13266	0.9
147.11687	1.4
149.13234	0.8
161.13237	1.2
163.14854	0.5
175.14879	0.4
177.16350	0.2
198.05241	0.4
216.06421	1.0
260.92563	0.2
263.23761	0.8
306.27921	2.0
337.27383	100.0
338.27682	1.3
371.56903	0.2
478.29398	0.3
497.40594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.5
67.05511	2.1
69.07058	0.7
69.82026	1.4
71.40891	0.3
74.06253	0.3
79.05499	0.3
81.07081	1.7
83.04945	0.4
83.08622	0.3
91.05473	0.5
93.07035	0.7
95.08606	1.6
98.20848	0.5
105.06987	0.4
107.08608	0.8
107.54545	0.2
109.10175	3.5
111.11697	0.2
119.08606	1.3
121.10148	0.6
122.07304	1.0
123.11731	0.4
135.11697	0.5
137.09618	9.1
137.13258	0.3
149.13371	0.3
152.10730	0.8
165.09125	100.0
166.09477	0.4
171.59435	0.3
177.09082	0.5
177.16429	0.4
179.10515	0.3
191.17996	0.4
205.12262	3.1
223.13191	0.4
273.25760	0.7
291.26862	2.2
320.85107	0.3
342.58917	0.3
385.31253	0.3
425.34122	1.8
443.35248	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	478.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	23.4
62.99936	11.1
67.05487	31.3
68.47294	9.5
69.07058	39.9
69.24232	100.0
71.04961	12.2
72.12566	9.9
75.67183	10.5
76.36568	10.5
79.05485	30.0
81.07068	94.4
83.08588	16.0
93.07043	53.6
95.08611	68.4
97.10149	13.4
98.21547	21.2
105.07021	45.7
107.08598	53.3
109.10179	77.5
117.07047	10.5
119.08566	42.5
121.10152	48.0
123.11696	31.9
125.09705	11.8
127.11190	24.4
133.10138	17.4
135.11693	43.7
137.13275	15.7
145.10117	21.7
147.11703	30.8
159.11623	23.9
161.13289	19.7
173.13345	14.5
189.16377	17.0
191.18031	11.4
203.18022	12.9
204.14209	12.9
210.76340	11.0
215.17894	14.0
217.19450	14.2
441.10187	11.4
478.35007	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2933
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05516	7.7
57.03440	2.5
57.07064	1.8
60.63198	1.2
62.06097	32.7
67.05177	1.9
67.05511	24.1
69.07076	12.9
70.00751	3.6
71.08634	1.5
79.05503	6.7
81.07065	23.0
83.05006	1.4
83.08633	4.9
88.73616	1.5
91.05490	4.1
93.07064	7.7
95.08612	17.9
97.10154	2.5
98.06059	2.6
98.98461	8.9
105.07017	1.8
107.08598	5.0
108.48433	1.2
109.10191	6.1
119.08578	3.7
121.10152	3.9
121.65782	1.2
123.11696	3.7
133.10139	2.9
135.11726	2.5
142.02602	1.7
147.11694	1.9
149.13242	1.8
155.01047	5.1
173.28946	1.4
198.05292	2.1
208.38747	1.2
216.06366	5.3
245.22763	2.5
263.23611	6.1
306.27939	22.3
337.27405	100.0
460.28101	5.3
478.29126	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2934
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
50.10803	0.3
53.03949	0.4
55.01868	0.3
55.05516	4.8
57.07087	0.6
62.06084	1.2
65.03932	0.4
67.05177	0.5
67.05508	6.1
69.07072	5.4
69.38125	1.9
69.38554	0.6
70.06601	0.4
79.05500	1.5
81.07061	5.9
82.00606	0.3
83.08622	2.0
85.05295	1.3
86.06085	0.8
88.07675	0.4
91.05460	1.2
93.07047	1.6
95.04980	0.4
95.08607	4.2
97.06525	0.3
97.10151	1.0
98.06064	10.3
98.50135	0.3
98.98469	0.8
105.07050	0.6
107.08598	0.9
109.10162	1.6
110.09659	0.4
112.07618	0.8
119.08571	0.4
121.10145	0.6
127.00689	0.7
133.10135	0.3
135.11697	0.4
140.10712	0.4
143.19957	0.3
145.01711	0.4
147.11716	0.4
149.02368	1.0
150.21404	0.3
152.10689	0.3
164.92117	0.3
168.13876	0.4
182.15373	0.4
193.04970	1.1
194.15439	0.3
196.16942	0.6
197.01311	0.3
208.17010	0.7
222.18571	0.6
236.20084	0.3
250.21625	0.3
251.45917	0.3
256.26367	0.6
263.05923	0.7
306.27930	100.0
307.28223	1.6
312.32437	0.4
321.16254	0.3
324.29001	0.9
337.27347	1.2
414.09253	0.3
432.10507	0.4
478.28836	0.6
478.35406	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
55.05519	5.2
56.60341	1.2
57.03432	2.4
57.07083	1.4
67.05505	2.6
69.03437	10.3
69.07080	6.9
70.06598	2.2
71.04988	3.0
71.52895	1.7
73.02920	2.3
79.05492	3.1
81.03427	8.2
81.07072	11.1
83.08630	6.4
84.08147	1.3
85.02912	25.1
85.06558	1.4
86.09727	1.4
87.00844	9.5
91.05481	3.3
92.20795	1.1
93.07037	10.1
95.08616	25.4
97.02892	8.4
97.06545	1.1
97.10167	4.4
99.04453	4.9
99.08103	7.2
105.01877	16.2
105.07050	4.9
107.08604	25.6
109.02883	6.5
109.10171	6.9
111.08090	3.3
113.47514	1.2
119.08580	1.8
121.10153	43.1
121.11043	2.6
123.04460	1.3
123.08076	1.3
123.11732	3.4
125.09630	2.7
127.03928	14.6
135.04439	1.9
135.11729	14.9
137.13261	5.0
145.04959	7.5
149.13287	2.9
151.07489	1.1
151.14897	1.4
159.02901	3.2
159.11710	1.2
175.14780	1.5
177.16400	100.0
182.95715	1.4
195.17448	19.8
213.18549	18.3
219.17387	1.4
231.05020	5.6
249.06056	2.3
267.17386	1.3
274.42627	1.2
285.18591	1.6
289.87015	1.3
303.19592	1.6
407.20566	1.4
478.15921	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.1
54.35929	1.7
55.01871	6.0
55.05513	8.8
57.03430	4.3
57.07075	4.1
61.02923	6.0
67.05493	5.3
69.03082	2.5
69.03437	33.6
69.07078	20.6
70.06594	2.1
70.51786	1.9
71.04990	5.9
71.52336	2.2
73.02937	3.8
79.05489	7.1
81.03427	22.8
81.07064	16.3
83.04970	1.8
83.08614	7.9
84.08160	2.5
85.02914	84.1
85.06556	2.7
87.00839	41.6
91.05485	3.9
93.07052	12.7
95.08606	27.3
97.02897	21.8
97.06450	1.8
97.10144	4.7
98.06026	1.9
99.04465	12.5
99.08087	2.0
101.02390	1.7
104.83250	1.6
105.01876	77.0
105.02588	4.0
105.07019	4.3
107.05013	2.2
107.08601	29.8
109.02895	30.4
109.10172	10.8
111.08055	2.6
111.11700	4.2
121.06491	2.1
121.10160	47.5
123.11756	1.8
125.09561	4.1
127.03933	62.2
129.01848	3.8
135.11726	9.7
137.13257	5.0
139.11203	4.9
139.29668	1.7
145.04985	20.9
147.02846	1.8
149.13264	3.4
159.02931	9.5
177.05392	2.3
177.16405	100.0
189.03935	3.7
195.17477	47.2
211.17041	1.8
213.03922	5.1
213.18529	11.2
231.04988	27.9
249.06041	16.2
272.20142	4.4
386.24243	4.4
460.27692	5.0
478.28348	5.4
479.18875	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	478.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
55.05519	5.2
56.60341	1.2
57.03432	2.4
57.07083	1.4
67.05505	2.6
69.03437	10.3
69.07080	6.9
70.06598	2.2
71.04988	3.0
71.52895	1.7
73.02920	2.3
79.05492	3.1
81.03427	8.2
81.07072	11.1
83.08630	6.4
84.08147	1.3
85.02912	25.1
85.06558	1.4
86.09727	1.4
87.00844	9.5
91.05481	3.3
92.20795	1.1
93.07037	10.1
95.08616	25.4
97.02892	8.4
97.06545	1.1
97.10167	4.4
99.04453	4.9
99.08103	7.2
105.01877	16.2
105.07050	4.9
107.08604	25.6
109.02883	6.5
109.10171	6.9
111.08090	3.3
113.47514	1.2
119.08580	1.8
121.10153	43.1
121.11043	2.6
123.04460	1.3
123.08076	1.3
123.11732	3.4
125.09630	2.7
127.03928	14.6
135.04439	1.9
135.11729	14.9
137.13261	5.0
145.04959	7.5
149.13287	2.9
151.07489	1.1
151.14897	1.4
159.02901	3.2
159.11710	1.2
175.14780	1.5
177.16400	100.0
182.95715	1.4
195.17448	19.8
213.18549	18.3
219.17387	1.4
231.05020	5.6
249.06056	2.3
267.17386	1.3
274.42627	1.2
285.18591	1.6
289.87015	1.3
303.19592	1.6
407.20566	1.4
478.15921	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.05507	1.4
57.03429	3.5
58.06604	6.1
60.70533	0.7
65.15311	0.7
67.05515	7.1
69.03436	3.5
69.07067	2.5
70.06603	21.2
71.04990	3.3
71.17496	1.4
73.02882	1.0
79.05081	0.9
79.05506	11.1
81.03416	2.2
81.07070	9.3
83.05000	4.0
85.02921	6.4
85.06539	1.0
86.06079	0.9
87.04391	0.7
88.07642	10.0
91.05497	12.6
93.07060	9.1
95.04966	4.1
95.08615	4.2
97.02891	2.5
97.06541	15.9
99.04453	0.7
99.08108	1.0
104.07128	1.4
105.06392	1.2
105.07048	12.8
106.08699	2.5
106.16901	0.7
107.04976	6.6
107.08605	12.9
109.02875	0.9
109.06525	3.4
109.10166	2.0
111.80524	0.8
115.05440	1.1
116.07077	1.1
117.07009	3.9
119.04949	1.2
119.08578	6.5
121.06458	1.4
121.10145	1.7
122.02762	1.6
123.08066	1.1
123.11716	0.9
125.05981	0.9
127.03925	1.7
127.05846	0.9
129.07033	2.7
131.08582	4.3
133.06531	8.1
133.10172	6.8
135.08069	2.5
137.08525	0.8
137.09607	3.4
137.69592	0.7
142.07768	1.0
147.08066	1.5
147.11697	11.6
149.09645	1.8
149.13216	1.8
151.11177	2.5
153.09134	1.8
157.10123	1.7
161.06024	1.3
165.50845	0.8
167.10674	2.3
175.11229	3.4
184.04271	1.2
193.08615	1.7
193.12256	5.1
194.08856	0.8
196.02989	0.7
198.01120	0.8
210.14943	1.8
222.14925	0.9
252.10638	4.1
262.07706	0.8
262.18079	6.2
269.89981	0.7
270.11560	2.2
271.01230	0.8
275.79587	0.8
280.19104	23.7
298.11099	11.5
298.20160	25.2
316.12329	8.4
316.21225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36905	0.5
53.03939	2.3
54.64820	0.6
55.01863	1.7
55.05507	1.8
57.03450	6.1
58.06610	5.7
61.02922	0.7
67.05514	8.0
69.03429	3.8
69.07074	3.5
69.23999	0.5
70.06601	27.3
70.29277	1.6
71.04998	2.9
71.06889	0.6
72.08128	1.0
79.05506	15.9
81.03430	3.9
81.07068	11.9
83.04988	5.2
85.02916	6.9
85.06551	1.1
87.00815	0.6
87.04462	0.6
88.07642	11.7
91.05493	15.4
91.07003	0.6
93.07047	11.9
95.04975	6.1
95.08624	4.7
97.02917	3.2
97.06544	23.6
97.10142	0.7
98.06074	0.6
99.04465	1.3
99.08070	1.5
103.05473	1.0
105.07044	15.3
106.02912	2.0
106.07347	1.0
106.08698	3.5
107.04971	12.2
107.05673	0.5
107.08607	16.9
108.04523	0.5
109.02882	1.6
109.06519	2.4
109.10168	1.5
111.08081	1.1
116.07117	1.1
117.07045	3.9
119.04966	1.2
119.08595	7.6
121.06528	1.2
121.10164	2.4
123.04428	1.6
123.08098	1.0
124.03981	4.9
125.06047	0.7
125.09644	1.8
127.03918	1.6
128.07077	3.8
129.07036	2.6
131.08595	5.5
131.41917	0.5
133.06491	5.8
133.10141	6.8
135.08076	5.1
137.08467	0.7
137.09625	2.2
142.07799	0.9
145.05035	1.0
145.10130	0.9
147.08060	2.2
147.11703	14.6
149.09628	1.0
151.11194	2.0
157.10118	2.5
163.07594	3.9
165.05479	1.3
165.12794	1.1
167.07036	3.8
175.11224	6.6
180.07890	0.7
193.12247	5.0
195.10191	34.0
207.06668	0.7
210.14940	1.8
211.13341	2.9
222.14998	1.3
239.58992	0.6
240.88480	0.5
244.16924	0.6
250.07059	1.1
254.17465	0.7
262.18100	6.2
268.08185	4.3
280.19119	25.1
298.20163	29.2
316.21222	100.0
317.06519	0.9
317.21500	1.1
393.81592	0.6
466.15405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.3
55.01882	5.3
55.05500	2.5
57.03445	4.9
57.07078	5.9
57.80072	0.9
58.06599	1.4
61.02926	5.4
66.58839	0.9
67.05499	5.2
68.79897	1.0
68.99792	2.5
69.03439	29.2
69.07076	5.8
69.44975	2.0
69.45373	6.7
70.06617	1.0
71.05000	4.5
73.02930	5.5
74.53680	0.9
79.05499	35.5
81.03426	20.4
81.07067	5.7
83.01328	1.1
83.04990	12.0
85.02914	85.3
87.00839	34.3
91.03931	1.2
91.05487	8.1
93.07050	35.6
95.04948	1.9
95.08617	4.5
97.02898	24.4
97.06539	6.0
98.01965	1.1
99.04466	10.5
103.03994	1.4
105.01877	48.0
105.07042	3.8
107.04971	9.2
107.08588	13.6
108.04478	2.6
108.05295	2.8
109.02889	27.8
109.06492	1.4
109.10767	0.9
117.01891	2.0
117.06973	1.3
118.75494	0.9
119.04973	6.8
120.05287	4.7
121.06491	3.5
121.10181	2.8
122.06067	1.0
123.04472	1.0
125.06007	15.0
127.03931	56.8
129.01845	2.8
131.08575	1.5
133.10136	8.8
135.08078	2.4
135.11707	90.3
137.06029	1.5
139.07545	10.4
145.04967	18.8
147.03094	2.1
147.04425	25.9
148.04762	17.6
149.09584	1.6
149.13254	8.4
149.57175	0.9
150.05424	1.3
151.03932	2.6
152.04277	1.3
153.09125	2.6
153.12718	1.9
154.06372	1.1
159.02911	10.5
159.11678	3.9
161.06033	1.5
165.05438	1.2
177.12782	15.1
189.04041	2.3
193.05005	3.0
193.12221	1.3
194.05309	2.5
195.13826	100.0
196.14214	1.2
211.06021	3.4
212.06477	2.6
213.03883	3.7
213.05624	7.5
230.06474	0.9
231.04985	21.8
248.07594	1.1
249.06087	5.5
257.10788	1.4
260.06543	1.7
281.17612	1.1
303.15924	1.5
314.13940	2.7
314.17651	1.0
315.14142	3.0
316.14685	6.1
317.06458	2.0
407.17157	3.0
425.17926	1.4
496.60434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68960	1.0
53.03933	4.0
55.01879	6.0
55.05510	2.7
57.03427	3.8
57.07060	5.8
61.02924	5.8
67.05498	4.7
68.99786	2.5
69.03088	2.2
69.03431	30.1
69.07056	5.0
70.06602	2.7
71.04974	2.9
71.53339	1.7
73.02903	5.4
78.12283	1.3
79.05080	2.4
79.05499	33.8
81.03419	16.6
81.07056	8.1
83.04989	9.6
84.04532	1.2
85.02908	73.6
87.00834	31.9
91.05485	10.9
92.05832	1.4
93.07046	32.0
95.04987	2.4
95.08604	4.8
97.02899	24.6
97.06528	5.7
99.04460	9.9
105.01868	46.0
105.07011	3.7
107.04964	11.7
107.08595	13.9
108.04501	1.4
108.05265	2.1
109.02885	26.1
109.06493	2.0
109.10117	1.8
109.44125	1.2
111.08094	1.6
116.07126	1.5
116.48763	1.2
117.01836	2.3
117.06995	2.0
119.04945	10.4
119.08559	2.1
120.05264	4.7
121.06483	2.6
121.10146	3.1
125.05999	15.1
127.03928	49.1
129.01889	2.1
131.08566	2.4
133.10127	11.7
135.08087	2.9
135.11699	86.5
137.05948	1.8
139.07555	9.9
145.04959	24.0
147.03171	2.2
147.04416	34.0
148.04739	21.1
149.09592	1.5
149.13280	8.0
151.03868	3.7
152.04250	2.1
153.09113	1.4
153.12772	2.1
159.02895	8.1
159.11656	1.5
161.05984	1.5
163.03879	1.4
177.12784	16.9
181.05008	1.4
184.02959	1.1
189.03915	3.1
193.04945	4.4
194.05327	2.9
195.13814	100.0
196.06235	1.5
211.06020	4.7
212.06349	2.7
213.03880	3.5
213.05710	5.8
231.04993	23.6
242.31682	1.3
248.07520	1.3
249.05969	7.9
257.10876	1.9
259.05893	1.5
260.06400	1.8
274.13867	1.9
278.07330	1.4
285.14844	1.4
303.15726	2.8
314.13852	2.1
315.14105	2.9
316.14810	5.8
317.06476	1.9
398.23221	1.2
425.18057	2.6
478.31790	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01860	0.7
57.03418	1.6
58.06599	0.8
61.02921	2.1
62.09159	0.4
67.05499	0.7
69.03098	0.5
69.03436	6.7
69.50620	2.1
69.51041	0.6
70.06603	2.7
71.04995	0.8
72.08149	1.1
73.02902	1.1
74.74490	0.5
79.05496	0.7
81.03430	2.6
81.07072	0.5
84.08150	2.4
85.02908	9.1
87.04469	1.3
91.03916	0.6
91.05482	1.9
95.04974	0.5
97.02892	4.7
97.80795	0.4
98.21489	0.9
99.04443	0.6
103.05452	0.6
105.07032	1.6
107.04937	1.3
109.02897	1.5
115.05475	3.2
116.07121	2.4
117.03327	0.4
117.07001	0.7
119.04898	1.1
121.06501	1.0
123.04438	25.6
124.03935	0.5
127.03949	2.6
128.07059	0.4
130.08641	1.8
131.04910	1.4
133.06487	0.9
135.04404	1.6
137.05984	7.9
140.03401	0.4
140.64883	0.4
141.00056	5.0
143.04935	13.2
145.04964	1.1
145.16333	0.4
147.04381	0.6
147.08038	0.7
149.05965	1.5
151.07510	1.5
154.05006	0.8
160.05196	1.8
160.07565	1.2
161.06038	3.5
163.03944	3.0
163.07578	1.5
163.67822	0.5
167.07019	1.2
167.08527	1.2
175.07562	12.1
176.08354	0.8
177.07863	6.9
177.09291	0.8
178.08783	1.1
179.08406	0.6
180.10286	0.8
192.10207	61.8
193.08650	1.2
193.10609	0.6
194.09129	0.6
195.08006	1.1
195.10197	0.7
207.08075	1.9
209.00911	0.5
213.02193	0.8
213.09138	1.3
213.11343	1.3
223.07593	0.6
225.09177	2.3
227.07036	0.5
230.04898	1.8
235.07613	1.0
241.08730	0.9
253.08633	2.5
255.10266	0.9
262.18094	0.5
267.10110	0.8
273.11249	1.8
280.19070	1.3
285.11230	9.8
290.89529	0.7
298.20190	1.9
316.15442	27.5
316.21109	0.8
317.06833	0.6
478.20764	100.0
479.20633	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	478.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01879	2.5
57.03439	3.5
58.06602	4.1
63.34407	0.9
65.03949	0.8
67.05500	4.0
69.03419	3.7
69.07073	2.0
69.53426	5.9
70.06600	13.9
71.04991	1.7
72.08147	1.6
76.02259	1.0
78.03474	1.0
79.05504	10.7
81.03431	1.9
81.07072	4.9
83.04985	3.2
83.07784	0.8
84.04482	0.8
84.08133	1.4
85.02911	6.9
85.06545	1.1
87.48426	0.8
88.07650	4.8
91.05484	9.2
93.07071	7.0
95.04974	3.5
95.08607	2.0
97.02886	1.4
97.06536	8.4
99.08059	1.1
103.05481	5.7
105.07043	59.5
106.02905	1.7
106.08663	1.9
107.04971	3.6
107.08599	5.5
109.02899	1.9
109.06552	2.7
110.79066	1.0
115.05473	11.1
116.07104	1.0
117.07021	2.4
118.04192	4.5
119.04903	1.1
119.08601	4.0
120.04468	1.1
120.08108	1.5
121.06516	1.9
122.02740	2.8
123.08108	1.3
124.03979	7.9
125.06017	1.2
127.03916	1.9
128.07086	2.6
129.07014	2.2
130.08672	1.8
131.08597	2.6
133.06514	53.1
133.10156	3.8
135.08090	2.5
136.07594	1.7
137.09622	1.4
143.04965	1.1
143.06015	4.5
147.04416	1.8
147.11685	5.3
149.06027	1.4
149.09648	2.1
151.11235	2.1
151.61647	0.8
153.09111	2.7
154.08652	2.1
157.10133	1.2
161.06000	100.0
162.05505	7.0
163.05853	3.8
166.08614	1.5
167.07022	5.5
167.10695	3.3
175.11211	1.9
181.08591	3.1
193.08635	76.7
193.12300	3.3
194.09042	1.0
195.10219	1.9
197.23575	1.0
211.09723	3.4
252.10612	1.2
262.18063	2.5
268.08176	4.0
270.11682	2.7
280.19031	9.6
298.11209	3.6
298.20169	13.3
315.13406	2.2
316.12436	9.6
316.21228	47.1
317.06738	1.9
468.30054	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79670	0.5
53.03952	3.4
55.01868	4.0
55.05504	1.6
56.19010	0.4
57.03442	2.8
58.06599	1.3
61.02913	1.7
63.28585	0.6
67.05498	1.9
67.69827	0.5
68.99781	0.9
69.03091	0.7
69.03436	12.2
69.07064	0.6
70.06608	4.0
71.04987	2.0
71.53203	0.7
71.77892	0.5
72.08157	4.9
73.02931	2.9
79.05499	5.4
81.03421	9.1
81.07050	2.4
83.04987	1.3
84.04488	0.6
84.08136	1.7
85.02907	31.7
86.09706	0.6
87.00833	11.4
88.07615	2.2
91.03964	1.1
91.05486	4.2
93.07034	2.5
93.25388	0.5
95.04971	6.2
95.08598	1.3
97.02895	10.9
97.06516	0.6
98.06063	0.9
99.04445	5.1
103.05470	2.2
105.01867	7.4
105.07037	7.2
106.08702	0.5
107.04964	19.1
107.08580	3.2
108.04498	3.6
109.02885	10.9
109.06523	1.4
111.04435	1.2
113.06029	0.5
115.03939	0.6
115.05412	1.2
116.07098	0.9
117.01845	1.4
117.07024	2.3
119.08579	2.5
120.05706	1.2
121.06503	1.3
121.10117	1.0
123.04398	1.0
123.08067	1.0
124.05215	0.6
125.05973	0.5
126.05490	1.6
127.03918	16.8
129.01842	1.1
130.52261	0.5
131.04924	0.9
131.08551	1.4
133.06458	2.9
133.10121	1.6
135.08063	6.8
137.05946	1.7
137.66673	0.5
145.04950	8.8
145.06512	1.0
145.07576	0.7
145.10101	2.4
147.04433	1.0
147.08067	0.8
147.11691	4.0
149.05884	0.6
149.09599	1.5
150.07530	0.8
151.03848	0.9
151.07568	0.8
153.01845	0.8
155.06950	0.6
159.02893	6.2
159.08076	0.7
159.09326	0.5
161.05942	0.7
163.07553	20.1
163.11198	2.1
167.07037	50.4
173.05942	0.6
173.09549	1.3
175.11182	1.3
177.05463	1.1
177.09111	0.8
180.07753	0.6
181.08632	4.3
187.07584	0.8
191.10687	1.2
193.08609	1.3
195.10173	19.2
205.08560	1.2
207.10168	0.9
209.11751	1.0
213.11221	100.0
222.14882	1.0
230.06685	0.8
231.05008	3.2
237.11362	2.5
244.16959	0.6
248.07652	2.6
255.12315	1.9
256.74426	0.5
262.17975	4.4
266.08716	1.5
279.12372	2.4
280.19098	6.8
285.11224	1.1
298.20120	21.4
302.04236	1.0
303.12296	4.9
316.15637	1.0
316.21185	15.7
317.06610	5.0
321.13361	8.0
478.20398	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74197	0.6
53.03937	2.4
53.21911	0.7
53.95523	0.7
55.01867	2.8
55.05511	1.6
57.03440	2.5
58.06590	2.6
61.02902	0.8
65.03960	0.8
67.05516	4.1
69.03436	2.9
69.07067	2.1
69.69598	3.5
70.06599	15.4
71.05008	1.9
72.08156	0.9
77.08253	0.7
79.05505	11.4
81.03417	1.9
81.07074	6.2
83.04989	3.5
84.08144	1.5
85.02907	5.1
85.06564	0.9
88.07649	6.9
91.05499	10.2
93.07045	5.6
95.04974	2.9
95.08599	2.2
97.02866	1.5
97.06543	11.0
99.08047	0.7
103.05485	7.0
104.87325	0.7
105.04564	1.1
105.07043	59.9
106.02914	1.9
106.08676	2.5
107.04973	4.6
107.08612	7.0
109.06541	2.2
111.08089	1.0
115.05472	9.8
116.07076	2.9
117.07021	2.6
117.39211	0.6
118.04171	3.4
119.04963	1.2
119.08583	2.7
121.06520	1.8
121.10149	1.8
124.03948	6.6
129.07010	2.5
130.08653	1.6
131.04964	2.4
131.08606	3.9
132.05727	1.2
133.06505	57.4
133.10144	4.1
135.08061	1.3
137.08058	0.7
137.09573	1.5
143.05022	1.4
143.06058	3.5
145.10133	0.7
146.63191	0.7
147.07999	1.1
147.11694	6.7
147.39954	0.7
149.05992	1.9
149.09644	0.9
151.11238	1.4
153.09103	0.9
157.10162	1.4
161.05997	100.0
162.05402	1.4
162.58389	0.7
163.05923	0.9
167.07092	4.3
167.10661	1.1
175.11221	2.6
181.08627	1.5
193.08629	85.4
193.12210	5.0
210.61134	0.7
211.09659	2.9
262.18030	3.2
268.08188	3.4
270.11639	1.4
280.19086	11.6
298.20145	15.1
298.23456	1.1
316.12650	2.8
316.21213	57.5
431.13501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03706	1.3
53.03960	4.6
53.20439	0.9
55.01874	3.8
55.05507	2.2
57.03436	3.2
60.04530	0.9
61.02927	3.1
63.32684	0.9
63.72047	0.8
65.03914	1.1
67.70823	1.0
68.99785	1.7
69.03440	15.9
69.07106	1.1
69.34510	1.7
69.34917	6.2
70.06586	1.8
71.04993	3.0
72.08133	1.1
73.02927	5.4
79.05524	1.4
81.03428	16.9
81.07070	4.0
83.01333	1.3
84.08141	3.1
85.02914	45.5
86.09736	1.5
87.00840	17.1
91.03967	1.8
91.05495	2.0
93.03419	1.3
95.26105	0.9
97.02902	19.8
99.04472	9.0
105.01878	14.2
107.04998	1.6
108.04488	5.7
109.02893	17.7
109.06547	6.5
111.04485	1.5
117.01855	2.9
120.02137	1.0
121.02916	1.4
125.06007	1.3
126.05522	3.3
127.03930	29.8
129.01848	1.6
137.05981	3.1
139.03943	4.2
145.04976	16.2
147.02910	2.3
149.02307	1.0
151.07527	1.2
153.05560	1.5
154.06268	28.8
159.02882	10.4
161.05939	0.9
166.02681	1.6
169.08646	3.2
181.04977	51.7
213.07613	100.0
214.07889	1.2
215.13545	1.3
219.13335	2.9
228.13794	8.5
230.06615	1.6
231.04945	7.3
237.14380	16.1
237.64499	1.1
246.14938	61.8
246.65179	7.9
248.07735	1.6
249.06058	1.3
355.18063	1.3
450.44577	1.0
477.33182	20.7
478.33450	27.6
491.28989	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37791	0.6
53.03696	1.0
53.03952	2.9
55.01857	2.3
55.05518	3.2
56.96568	0.6
57.03416	2.5
61.02937	3.8
65.03925	1.3
67.05484	1.2
68.99770	2.0
69.03434	10.2
69.07066	1.0
70.06570	2.3
70.16966	1.9
70.17313	0.7
71.04971	2.7
72.08128	1.3
73.02892	2.4
78.03439	1.5
79.05476	1.8
81.02988	0.9
81.03423	11.0
81.07057	3.8
83.52130	0.7
84.08125	2.3
85.02909	25.2
86.09689	1.8
87.00392	0.6
87.00843	7.6
91.03932	1.6
91.05470	2.5
93.07035	2.4
94.04185	0.7
95.04939	1.3
95.08597	1.1
96.51183	0.6
97.02898	12.2
99.04463	4.6
104.10728	0.8
105.01873	10.3
105.07022	2.2
106.02915	4.8
107.04951	0.9
107.08604	1.1
108.04457	2.6
109.02885	11.9
109.06503	2.6
110.07058	0.7
115.03922	0.9
117.01854	0.9
119.08563	1.1
120.08087	0.7
121.02882	1.0
121.06493	1.1
121.10149	0.9
123.04476	0.9
124.03961	12.4
126.05452	1.0
127.03925	19.4
129.01860	1.1
129.55049	0.8
133.06450	1.3
133.10071	0.8
134.05974	0.6
135.11646	1.1
137.05952	1.8
139.03905	1.7
145.04959	10.4
145.06017	1.0
147.02838	0.8
149.02338	0.9
149.06030	0.8
149.13258	1.2
154.06245	14.9
159.02875	5.5
159.11659	0.7
159.20721	0.6
161.05965	1.3
165.05511	3.7
166.02728	0.7
167.07108	0.9
169.08626	1.7
174.10440	1.1
175.03978	0.7
177.12666	0.7
181.04959	25.8
183.10970	1.8
192.12332	0.8
193.04965	13.3
193.08617	0.8
200.10738	0.6
201.12798	1.2
205.62781	1.4
210.12946	0.8
213.07594	63.3
214.63290	5.4
219.13388	1.7
223.63893	4.2
228.13872	10.6
228.64056	1.5
230.06619	0.9
231.05013	3.6
237.14381	23.3
237.64522	2.2
246.14914	100.0
246.65091	13.7
247.15231	0.8
248.07661	1.2
250.07098	2.6
264.13925	0.9
266.66293	2.0
268.08231	10.6
280.22772	1.1
298.20557	0.9
298.23889	1.9
316.24850	4.8
343.60159	0.7
355.17853	0.8
370.73163	0.6
373.18558	0.8
460.12573	4.1
460.18567	0.8
470.74484	0.7
471.46088	0.7
477.33154	16.8
478.13428	2.0
478.33435	35.6
491.29276	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07987	1.2
53.03941	4.1
55.01882	10.1
55.05518	50.7
56.88966	1.2
57.03442	8.2
57.07092	1.4
65.03928	2.3
67.05513	41.6
69.03436	9.5
69.07076	12.5
71.04996	4.4
75.27748	1.3
77.03912	1.5
78.52254	1.3
79.05503	55.3
81.03427	15.0
81.07061	39.2
82.30682	1.3
83.04984	10.1
83.08629	28.3
85.02892	3.1
85.06559	2.4
91.05495	28.9
93.07054	26.8
95.04974	19.1
95.08614	21.2
97.02890	2.4
97.06538	5.9
97.10179	42.7
99.04491	1.9
103.05444	2.1
105.07038	23.6
107.04969	29.4
107.08604	28.1
109.02919	1.7
109.06505	9.5
109.10159	12.4
111.08092	5.0
113.06027	2.1
115.05492	3.2
117.07030	15.4
119.04929	2.2
119.08605	14.0
121.02943	1.5
121.06522	23.6
121.10145	8.2
123.04461	3.7
123.08089	8.9
123.08818	1.5
123.11734	3.3
125.06013	2.2
125.08762	2.6
125.09647	34.9
128.06268	1.9
129.07008	12.2
131.04944	5.3
131.08601	12.5
133.06520	7.7
133.10121	8.6
135.08057	8.5
135.11739	2.2
137.05966	3.5
137.09570	1.5
141.07036	4.5
142.07805	2.2
143.08531	6.1
145.06502	20.0
145.10158	9.9
147.04449	6.2
147.08076	8.8
147.11742	6.6
149.06004	2.3
149.09639	5.2
149.13303	2.3
151.07655	2.1
153.07062	1.5
153.09132	8.9
153.12791	3.1
155.08534	5.4
157.06519	4.0
157.10150	7.6
159.08162	6.1
159.11742	5.7
161.06004	3.4
161.09578	6.3
161.13274	1.5
163.11206	5.2
165.09250	2.2
165.12778	2.6
167.08572	2.5
169.10144	5.2
171.08035	7.1
171.10277	2.6
171.11691	7.3
173.09650	5.2
173.13295	2.5
175.07439	1.7
175.11253	5.0
177.12794	1.9
179.08525	1.6
181.10190	3.8
181.12267	1.6
183.08090	2.7
183.11775	3.1
185.09634	2.6
185.13272	1.5
187.11214	5.5
187.14842	3.0
189.11241	21.3
189.12811	4.2
193.12195	10.6
195.11836	2.0
197.09631	2.4
197.13234	2.7
199.11151	6.4
201.12737	1.7
203.10831	1.5
205.12286	3.0
205.15923	1.5
209.13229	2.5
211.11218	2.1
211.13275	3.1
211.16954	1.7
213.12776	3.8
215.14285	6.7
217.12270	3.7
219.13863	3.9
221.11664	1.6
223.11301	2.5
223.13361	5.6
225.12735	2.7
227.10835	1.4
227.12791	5.8
231.13824	3.4
233.15337	11.4
235.13321	1.9
237.12738	3.0
238.82710	1.4
239.14355	1.8
241.12296	1.7
241.14302	6.4
245.15521	2.8
249.14867	1.9
251.14326	1.6
255.13969	3.5
257.15500	2.4
259.13367	2.7
266.78201	1.4
267.15912	5.8
271.16876	2.1
273.14908	17.5
275.16476	3.1
287.16553	2.6
289.18088	1.9
291.15979	2.6
315.05057	2.9
321.21951	1.7
339.23187	8.7
347.18161	1.3
349.21677	22.8
357.24219	7.2
367.22742	57.7
385.23782	100.0
386.24133	1.8
403.24814	23.4
405.23904	1.7
423.25415	2.7
426.02191	1.3
427.15924	1.5
441.26379	9.3
445.11133	2.1
459.27457	83.1
460.27835	1.6
477.28552	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32586	1.3
55.01876	10.7
55.05516	55.3
57.03438	7.5
65.03951	3.7
67.05511	46.4
67.05858	0.8
69.03439	7.0
69.07079	12.3
70.23167	4.1
70.23500	1.5
71.04995	3.6
79.05499	46.5
81.03423	11.6
81.07067	33.6
83.05001	7.1
83.08627	25.9
85.06567	2.7
91.04909	1.5
91.05486	27.0
93.07047	25.6
95.04967	17.8
95.08618	14.3
97.06524	6.4
97.10178	46.1
101.09719	1.8
103.05493	1.9
105.07041	19.7
107.04298	2.4
107.04970	30.1
107.08603	25.2
109.06532	8.6
109.10170	14.8
111.08084	4.3
113.05983	2.7
115.05463	4.5
117.07021	14.4
119.08597	13.3
121.06520	23.5
121.10157	7.0
123.04371	2.5
123.08067	9.7
125.05996	2.0
125.09639	36.3
128.06201	2.7
129.07024	11.8
131.04944	6.6
131.08575	16.6
133.06496	10.0
133.10136	8.6
135.08070	14.7
135.11656	2.7
137.06023	1.8
139.07584	1.3
141.07011	3.9
143.08578	8.6
143.10686	1.6
145.06505	16.7
145.10123	10.5
147.04436	3.1
147.08099	9.0
147.11726	9.2
149.09634	6.3
151.07539	1.7
153.07083	1.8
153.09108	8.5
153.12764	3.7
155.08588	4.3
155.77548	1.3
157.06500	5.0
157.10138	9.3
158.25626	1.4
159.08089	4.7
159.11676	2.7
161.05983	3.5
161.09669	3.5
163.11229	4.9
165.09216	1.9
169.06503	1.6
169.10138	4.9
171.08081	4.4
171.10350	2.3
171.11673	6.5
173.05937	1.3
173.09642	4.8
173.13286	1.9
175.07463	1.9
175.11221	5.2
175.14743	1.6
177.12764	1.7
181.10141	2.0
183.07982	2.7
183.11748	2.9
185.09636	3.2
185.13411	1.5
187.11197	4.0
187.14891	2.8
189.09393	2.0
189.11224	21.4
189.12796	4.0
193.12286	10.5
195.08057	1.4
195.11714	3.9
197.09633	2.7
197.13257	3.6
199.11166	6.0
201.12776	2.1
203.10605	1.8
203.14252	3.1
205.12338	3.9
205.15936	1.5
209.13419	1.5
211.13162	3.3
213.12923	1.8
215.14267	6.8
217.12257	4.6
219.13777	1.5
223.11279	2.5
223.13361	4.5
225.12802	3.3
227.12834	4.6
231.13763	3.5
233.15445	13.5
235.13237	2.7
237.12776	4.3
239.14235	1.7
241.14308	8.2
243.17299	1.3
245.15390	2.1
249.14873	1.5
255.13841	4.9
257.15408	1.5
259.13336	3.8
259.16913	1.7
267.15985	4.9
271.17038	2.2
273.14841	19.8
275.16504	1.9
276.75888	1.4
287.16339	2.6
291.15967	5.1
329.24762	1.5
339.23309	7.6
347.18570	1.7
349.21649	18.0
357.24185	5.9
367.22665	57.7
375.25604	1.8
385.23755	100.0
403.24805	25.9
405.24185	1.3
423.25333	2.2
441.26413	9.8
459.27451	79.9
460.27313	1.7
477.28479	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.7
55.05516	48.6
55.49207	1.3
57.03439	7.3
59.05011	1.7
65.03938	2.3
65.44625	1.2
67.05509	40.4
69.03445	7.8
69.07077	11.2
71.04998	4.8
71.09908	2.6
75.45748	1.4
79.05499	48.7
81.03426	17.3
81.07067	36.3
83.04990	6.8
83.08627	30.9
85.06535	4.0
91.00040	1.5
91.04974	2.5
91.05489	29.7
92.16360	1.3
93.07053	24.4
95.04975	16.6
95.08614	17.8
97.06554	6.5
97.10177	52.6
99.08102	1.7
103.05483	2.4
105.07037	22.9
107.04964	26.3
107.08605	30.1
108.23189	1.2
109.06526	6.9
109.10178	11.5
111.08086	5.7
113.06010	1.4
115.05419	2.0
117.07024	12.0
118.57275	1.6
119.04942	3.0
119.08586	15.8
121.06507	23.0
121.10183	7.4
123.04447	2.0
123.08106	8.3
123.11687	2.7
125.06028	2.9
125.08770	2.8
125.09648	42.8
128.06207	1.5
129.07028	9.2
131.04944	4.6
131.08572	13.6
132.54216	1.3
133.06509	10.2
133.10155	7.6
135.08076	12.3
135.11716	4.3
137.06033	2.0
137.09637	2.8
141.07028	5.9
143.08562	6.4
145.06516	17.0
145.10144	10.5
147.04384	4.3
147.08037	10.2
147.11703	8.5
149.05980	1.8
149.09653	4.7
153.09149	9.9
153.12766	4.4
155.08600	4.4
157.06497	5.5
157.10172	7.2
159.08098	6.6
159.11690	4.0
161.06030	2.0
161.09618	4.5
163.11214	5.2
165.06963	1.6
169.10202	4.5
171.08051	7.1
171.10168	4.0
171.11752	6.8
173.09663	3.0
173.13300	2.2
175.07585	2.7
175.11227	4.7
177.12737	3.6
179.08664	1.6
181.10191	2.5
183.08134	2.4
183.11690	3.2
185.09639	4.1
185.13232	3.5
187.07713	1.5
187.11223	3.0
187.14838	2.3
189.09497	2.4
189.11250	20.3
189.12811	5.4
193.12291	13.6
195.11736	3.9
197.09697	2.8
197.13380	4.2
199.11266	5.0
203.14409	2.7
205.12234	2.7
207.11803	1.9
209.13329	2.6
211.11197	2.9
211.13184	2.3
213.12769	3.7
215.14268	7.1
217.12338	3.9
223.11285	2.6
223.13310	2.9
225.12811	4.3
227.12601	7.3
231.13837	3.2
233.15387	12.2
235.13327	3.1
237.12823	3.0
241.14366	4.8
243.13849	1.8
245.15526	3.0
249.14810	2.9
255.13882	5.4
257.15250	2.2
259.13306	3.4
260.95190	1.6
267.15973	7.8
271.17026	2.6
273.14877	19.5
275.16544	2.1
281.15268	2.1
287.16507	1.8
289.18216	2.7
291.15912	3.1
331.20483	2.1
339.23358	8.4
340.88461	1.5
349.21603	15.5
350.21436	1.5
357.24222	5.9
367.22696	56.2
385.23755	100.0
386.24429	2.4
403.24841	30.6
405.24500	1.9
423.25299	2.7
441.26419	12.0
459.27454	80.7
460.27884	1.8
477.28540	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.8
57.07071	3.3
65.03941	1.3
67.05521	10.2
69.06729	1.7
69.07076	18.3
69.20706	5.2
69.21135	5.5
79.05492	8.4
81.07064	41.4
83.08624	1.9
85.07447	1.3
91.05505	3.3
93.07052	3.7
94.04181	2.4
95.04988	1.5
95.08617	29.9
97.10179	3.0
98.21541	2.7
103.05446	2.5
105.07050	2.7
107.04935	2.8
107.08604	2.5
109.06498	2.3
109.10180	11.4
111.11729	1.9
115.05455	1.8
117.06995	2.5
119.04961	2.5
119.08607	1.5
121.06516	1.1
121.10140	2.5
122.03632	7.3
123.11724	13.9
128.06219	3.6
129.07030	5.0
131.04948	3.3
131.08574	1.8
133.02855	1.6
135.04529	1.3
135.11707	2.0
137.05992	98.2
137.13257	22.3
141.07039	2.7
143.04938	1.3
143.08586	4.5
144.05667	2.2
145.06482	3.6
145.10165	1.9
149.06006	2.4
151.03937	1.7
151.07544	11.0
155.08600	3.0
157.06464	5.8
158.07291	3.2
159.08069	3.2
160.05185	3.1
161.06024	1.5
163.07553	6.9
165.05621	2.0
165.06964	1.4
167.08572	1.8
169.06522	2.0
170.07341	1.9
171.08090	4.3
172.05238	1.6
172.08856	1.3
173.06030	1.4
173.09689	2.6
174.06778	5.5
175.07550	11.8
177.05496	6.8
177.09129	5.4
179.07091	1.9
181.06488	1.6
181.10208	1.3
183.08157	2.1
185.06105	1.3
185.09700	2.7
186.06784	4.3
187.07578	19.4
189.09128	12.3
191.08618	1.6
191.10677	1.7
195.08076	3.6
197.09697	2.2
198.06935	1.5
199.07539	10.9
200.08395	2.2
201.09113	16.0
203.08611	3.9
203.10703	3.5
204.09389	1.4
205.10204	1.7
207.07912	1.8
209.09680	4.3
211.07567	3.2
212.08426	1.5
213.09103	5.4
215.08720	2.3
215.10703	3.4
217.08588	4.5
217.12233	1.4
219.08092	2.6
219.10150	2.1
220.08766	1.6
221.09697	1.9
223.11276	2.5
224.08366	2.8
225.09219	5.6
226.09908	2.0
227.10716	5.2
229.08533	7.2
229.12238	1.8
231.08052	4.2
231.10237	3.7
232.08868	4.1
233.09644	4.6
234.06689	1.7
235.07594	1.7
237.09161	4.6
238.09976	1.4
239.07100	2.5
239.10750	4.1
240.07875	4.3
241.12242	2.4
243.08131	2.5
245.09692	4.1
247.07631	3.1
247.11313	2.4
248.08365	4.4
249.09166	5.0
251.10786	1.8
253.08479	2.0
255.10126	6.5
257.09583	1.7
259.07587	2.1
260.08438	4.7
261.09085	5.3
262.09918	3.1
263.07101	2.6
263.10703	6.9
264.07892	1.7
265.08667	2.8
265.12265	2.4
267.10196	1.4
267.13785	2.1
268.07318	4.1
269.08078	1.3
269.11942	2.0
269.15341	1.4
271.09674	2.0
271.17026	3.3
273.09030	2.0
273.18542	9.1
274.10095	2.1
275.07507	1.9
275.10703	10.9
276.07834	3.7
277.08643	7.6
277.12009	2.3
279.10223	3.6
282.08978	2.6
283.09677	28.3
285.08887	1.4
287.10431	1.5
288.07819	2.8
289.08600	2.7
289.11929	1.7
291.10150	13.3
292.10931	4.6
293.08267	2.8
293.11765	6.6
293.15009	1.8
294.08752	1.4
295.09738	4.0
297.11273	2.1
297.18307	1.6
301.17905	1.8
303.10260	9.1
304.10913	2.5
305.08209	2.7
305.11697	5.5
306.08951	1.3
306.12799	1.5
307.09732	4.1
307.13223	2.4
308.10547	5.3
308.17926	2.3
309.11240	5.9
309.18607	2.1
311.12985	2.9
311.20084	2.8
313.18390	1.2
315.10333	2.0
317.11823	4.3
319.09851	1.4
319.13611	1.4
320.10468	7.2
321.11359	5.4
322.12051	2.6
323.12842	29.8
323.20068	28.4
325.14529	4.5
329.11780	1.3
331.13361	2.1
333.11481	1.5
335.12830	25.2
335.20090	3.6
337.14459	4.5
341.14139	3.1
345.14883	1.6
347.13016	1.6
349.14539	2.1
351.15891	1.4
352.12952	1.3
353.13925	32.9
353.21042	25.8
355.15460	4.8
361.14166	2.0
363.15967	2.8
375.15753	2.6
377.17163	1.4
391.19421	5.5
392.20007	1.6
404.19711	1.7
406.21426	26.8
407.22311	12.1
415.22394	1.4
419.22281	7.7
427.22778	3.2
447.25284	5.9
459.25339	43.9
477.26407	100.0
478.27594	1.8
488.77264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01862	1.4
57.03440	7.0
60.04517	1.2
61.02921	2.5
67.05499	1.3
69.03435	6.1
69.65868	6.6
70.05360	1.0
70.06603	2.8
71.05003	46.5
72.08152	3.1
73.02921	1.5
73.87103	1.2
75.04480	2.7
80.24972	0.9
83.04971	4.0
83.77393	1.4
84.04501	2.4
84.08158	5.7
85.02914	57.9
86.09715	2.8
87.04485	2.0
95.04983	1.5
97.02896	3.2
99.04447	2.1
105.07033	2.3
107.04961	2.2
109.02901	2.6
111.04439	2.4
116.07112	2.2
119.05006	2.2
121.02889	2.7
123.04459	6.3
127.03926	5.6
129.05495	20.1
130.63878	1.0
133.06516	1.3
137.06003	2.2
139.03966	1.3
145.04953	2.7
147.04436	2.7
147.06529	8.3
147.11719	1.3
151.03912	11.4
161.05968	3.7
162.06398	1.3
163.03966	2.1
165.05498	1.3
169.04982	100.0
178.08702	2.1
181.04951	6.7
193.04987	11.9
193.08704	3.1
194.08998	1.7
207.06580	3.2
211.06041	13.1
217.04959	1.2
235.06009	10.8
247.06084	6.6
259.06064	4.7
261.07654	2.2
263.70590	1.1
265.07214	1.4
277.07056	4.9
295.08215	2.6
313.09241	5.3
330.14951	2.3
331.10172	6.0
477.19406	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	477.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01852	0.8
55.05507	0.8
57.03445	0.9
57.72324	0.7
59.87386	0.6
61.02927	1.3
67.05502	1.4
68.13588	0.7
69.03439	3.3
70.06590	8.4
71.06937	0.8
71.52353	0.7
71.52734	0.9
72.08156	5.8
74.06081	0.7
75.48280	0.7
79.05491	1.8
81.03427	2.3
81.07067	1.1
82.06593	0.7
84.04490	0.8
84.08148	9.1
85.02903	7.3
85.08498	0.9
86.09707	5.6
91.05479	2.1
92.05009	1.5
93.07079	3.0
94.06566	2.2
95.04963	0.7
95.07348	1.6
95.08593	1.5
96.04479	0.8
96.08135	3.4
97.02908	3.1
97.06514	0.8
99.04472	0.9
103.05476	2.7
105.07021	1.9
106.06555	0.7
107.08598	1.5
108.08131	10.6
109.02874	1.5
109.08979	0.8
109.10162	0.9
110.07175	1.4
110.09697	8.2
112.56035	0.6
116.07027	0.6
119.08590	1.2
120.04473	10.4
120.08102	7.9
121.10130	1.1
121.17775	0.6
126.09153	1.3
127.03922	1.6
128.07063	2.8
129.10266	1.5
131.04933	1.3
133.06499	1.4
133.10141	1.2
134.06023	2.5
136.07588	21.3
137.06010	1.2
138.05513	2.0
138.09157	10.1
144.04317	0.7
145.04959	1.3
148.07591	5.4
151.07521	1.2
154.08641	22.9
161.05998	2.6
162.05515	100.0
166.08652	28.2
174.05527	0.9
175.14856	2.0
182.09680	0.7
184.09941	1.2
185.16525	1.7
193.08582	1.1
193.15961	1.0
198.11502	0.7
227.11711	3.7
235.10567	0.7
239.33479	0.7
245.13004	0.6
251.11850	0.9
255.11324	3.4
269.12878	3.9
273.12338	3.0
287.13916	3.6
297.03821	0.9
297.12363	11.5
309.03992	0.9
315.05539	1.5
315.13397	78.0
316.13806	1.3
394.92725	0.8
459.22275	1.2
477.23691	2.7
477.35324	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35315	0.7
52.80915	0.7
53.03949	2.2
55.01859	0.8
55.05511	0.9
57.03440	1.3
58.06599	1.3
62.71243	0.7
65.03948	0.8
67.05510	2.8
69.03438	6.3
69.07066	1.3
70.06592	1.9
71.05001	2.0
71.53475	1.0
72.08167	1.6
73.02914	1.3
78.80751	0.8
79.05495	2.5
81.03426	4.3
81.07057	1.7
85.02911	7.2
86.03242	1.0
86.09721	1.1
87.00806	0.8
87.04476	1.3
91.05485	13.0
92.05858	0.9
93.07065	4.7
95.04977	2.7
95.08640	2.5
97.02888	3.9
99.04463	1.1
103.05485	1.3
105.07050	2.9
107.04298	1.3
107.04969	16.2
107.08624	2.0
108.05318	4.9
109.02885	3.3
109.10167	2.9
110.03252	0.8
115.03925	1.4
115.05445	1.5
116.20383	0.8
117.07021	0.7
119.04957	25.1
119.08598	2.0
120.08133	1.1
121.02856	0.8
121.06519	2.4
121.10168	2.3
122.06851	0.9
123.04453	3.0
123.08066	0.8
123.11655	1.2
124.03960	1.0
124.04845	1.0
125.06050	1.3
127.03935	2.3
129.06964	0.9
131.04906	1.1
133.04965	0.9
133.06491	1.9
133.10144	1.4
135.04428	1.7
137.05986	4.5
141.05415	0.8
143.04953	2.0
144.05304	1.2
145.04955	1.1
145.06503	2.2
146.06903	1.1
147.04425	100.0
147.11714	1.3
149.06018	1.1
149.09650	0.9
151.03922	7.4
151.04987	1.1
151.07565	2.8
159.04430	1.2
161.05974	3.3
162.06335	2.0
163.03867	6.1
163.07527	1.1
164.07080	3.2
165.05492	1.6
165.07510	1.1
165.09148	2.5
169.05026	1.0
169.08612	4.0
173.06038	1.0
175.03911	4.6
175.07578	1.1
175.14828	0.8
177.05464	2.1
178.08621	1.0
179.06915	1.1
179.08942	1.1
181.04956	0.9
187.07547	1.2
189.05499	2.8
191.07098	0.8
193.04964	10.4
199.07527	0.8
203.07031	1.8
206.08168	1.3
213.05508	1.0
217.05040	3.3
220.09721	2.3
221.10056	1.9
237.09100	1.5
241.12137	0.9
247.06075	2.7
249.07706	1.2
255.10229	4.9
256.10519	6.9
259.06006	6.5
272.03146	2.2
272.12817	4.0
273.13193	7.3
277.07101	1.1
291.08722	1.0
295.08218	2.4
297.14798	1.2
300.02673	18.3
301.06985	1.0
309.09564	0.9
313.09174	3.7
314.13846	7.6
315.05023	51.6
315.14139	25.7
339.08502	2.0
415.13367	0.8
433.54117	0.8
441.11823	1.4
459.13025	4.9
459.18701	0.9
477.19678	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	477.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84748	0.4
53.23394	0.4
55.05509	0.4
57.03423	0.4
58.06588	0.5
62.16544	0.4
65.03938	1.6
67.05510	1.0
68.25311	0.3
68.99823	0.6
69.03422	0.8
71.04980	0.6
71.26616	0.3
71.53309	0.5
77.76771	0.4
79.05502	1.3
81.03410	0.7
81.07048	0.9
83.04978	0.5
85.02911	3.3
86.09710	0.4
91.05483	11.6
93.07047	1.6
95.04951	0.9
95.08609	0.6
96.08824	0.4
97.02888	0.7
97.10172	0.5
105.03372	1.3
105.07063	1.2
107.04965	6.7
107.08594	0.4
108.05304	2.1
109.02903	1.1
109.10147	0.4
113.61732	0.4
115.05473	0.6
119.04947	24.8
119.08570	0.4
121.06499	1.7
121.10165	0.7
122.06919	0.4
123.04443	2.6
125.05992	0.4
125.09703	0.4
127.03937	1.0
129.07021	0.8
130.40788	0.4
131.04929	0.8
133.06464	0.5
133.10167	0.8
134.06030	1.2
135.04425	0.7
135.11726	0.6
136.07552	0.4
137.05969	1.5
143.04927	1.2
144.05264	0.7
145.06441	0.7
147.04416	100.0
148.29126	0.4
149.09575	0.5
151.03877	4.3
153.01862	0.9
161.05983	1.9
162.06345	0.8
163.03929	1.2
163.07629	0.4
164.07082	0.8
165.05501	2.3
165.07437	0.5
165.09123	1.8
167.07014	0.4
169.04933	1.0
171.04323	0.9
175.03935	1.7
175.14819	0.5
177.05443	0.5
178.08725	0.5
181.04915	1.8
189.05444	0.8
193.04970	10.8
203.07063	0.7
205.04961	0.8
206.08244	0.4
206.96307	0.4
207.06567	1.1
211.06029	15.1
211.08037	0.8
213.05540	1.1
217.05040	1.0
220.09833	0.9
221.09996	0.6
227.03261	0.4
229.05148	0.5
231.06540	1.6
233.04489	0.6
235.06027	1.1
241.04874	0.8
247.06073	1.2
249.07666	0.8
255.10271	1.3
256.10495	3.2
259.06046	6.9
263.05515	0.8
272.12878	1.1
273.13055	2.2
277.07092	4.0
281.04236	0.4
286.04590	0.4
301.07159	1.4
314.13873	3.6
315.14178	10.5
315.17691	0.6
329.06448	0.6
331.07947	0.6
339.08591	0.9
434.53525	0.4
459.18930	0.4
459.27591	0.5
476.31070	1.3
477.31400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1244
Annotation	Napyradiomycin SR
Peak:m/z	Relative Intensity
54.66389	2.5
55.01884	16.6
61.02928	4.7
69.65862	16.5
71.98421	3.3
85.02907	9.2
92.07753	2.6
96.14359	2.6
97.02905	2.5
102.58803	2.6
117.75092	2.8
119.04949	4.4
121.02847	9.0
123.04483	5.2
126.46962	2.9
128.49997	2.7
131.04950	4.4
137.05959	5.9
147.04408	2.9
159.04488	5.8
163.03844	7.6
165.01840	3.4
165.05490	6.6
177.01859	4.5
181.05005	6.5
187.03883	8.4
189.01787	9.4
191.03415	6.9
193.04945	8.8
195.02899	9.9
199.03955	3.0
200.98035	2.9
201.01715	3.8
201.05437	4.2
203.03404	9.4
205.04970	10.3
207.02908	49.7
215.03357	17.1
217.04930	5.6
219.02916	26.7
219.06479	3.6
221.04474	13.4
225.03920	12.8
227.03308	4.8
229.05019	12.4
231.02861	7.2
233.04439	28.0
237.03966	59.1
243.02928	9.9
245.04434	8.4
247.02554	2.9
247.05988	21.6
249.03978	13.1
251.05602	5.2
255.02895	6.3
257.04587	16.6
259.06000	7.0
261.03979	76.8
263.05560	6.7
265.03372	4.8
266.74438	2.8
267.02859	11.0
269.04471	6.0
270.82724	2.8
271.05975	6.2
273.03973	37.6
275.05432	31.1
279.05048	39.5
285.03952	22.4
287.05450	4.7
289.07141	5.8
291.04929	13.2
299.05515	8.9
303.04980	41.8
309.06116	68.3
311.05487	3.6
313.07233	3.0
317.06619	5.6
321.06036	22.3
327.04904	5.1
339.07190	100.0
345.06131	15.1
363.07166	81.6
375.07132	37.9
387.07101	37.0
393.08148	12.2
405.08200	30.0
423.09070	19.4
441.10178	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	476.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01311	9.2
55.05515	15.0
67.05500	36.9
69.07081	43.4
71.15168	9.2
71.32584	20.6
79.05500	26.7
81.07062	100.0
91.05489	27.6
93.07055	63.8
95.08602	75.2
105.07039	36.5
107.08628	81.6
109.06565	11.1
109.10171	60.1
119.08612	30.7
121.10188	45.9
123.11739	19.0
129.08981	9.3
131.08614	14.9
133.10153	25.3
135.11691	64.4
137.13290	10.7
147.11700	27.7
149.13293	23.9
159.79381	10.2
161.13303	16.7
175.14886	11.5
187.14917	11.7
229.19633	9.7
277.49725	11.3
318.70395	9.2
355.28210	11.8
364.17841	11.8
375.83688	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	476.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	22.1
57.07067	10.2
65.03905	8.9
67.04845	7.6
67.05508	58.2
69.07074	62.5
70.76123	15.8
71.05015	14.6
72.92260	7.2
75.38240	6.6
76.27240	8.5
79.05508	36.5
81.07068	94.2
83.08643	18.4
89.58929	7.3
91.05486	28.1
93.07050	87.8
95.04949	8.7
95.08609	100.0
97.06548	43.5
97.10174	9.0
105.07037	73.5
107.08611	93.3
109.10171	97.6
111.08151	8.7
117.07030	10.1
119.08599	77.2
121.10162	86.4
123.08073	10.2
123.11723	23.9
125.09618	9.9
127.11236	12.4
131.08562	25.9
133.10156	36.7
135.11671	56.7
137.13293	14.5
143.08632	13.4
145.10104	50.0
147.11723	47.4
149.13217	14.3
157.10072	8.4
159.11653	38.4
161.13280	26.3
163.14833	11.2
171.11751	13.5
173.13301	18.2
175.14792	16.6
185.13383	9.1
187.14853	22.6
189.16434	24.4
191.18013	11.8
199.14868	14.4
201.16408	9.8
213.16441	9.5
215.18001	16.8
217.19527	7.5
229.19547	10.4
257.22653	32.8
423.36044	9.4
461.19760	12.0
476.21817	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	476.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45296	2.7
50.66152	2.8
53.03936	4.1
55.05513	24.1
55.97747	3.5
57.07067	7.2
59.04997	4.7
60.36330	2.9
67.05508	41.6
69.07070	34.6
71.05002	24.9
71.12948	7.2
79.05487	32.7
79.79356	4.1
81.07063	85.6
83.04970	3.4
83.08614	14.0
86.66465	2.8
91.05491	34.2
93.07050	81.5
95.04967	5.0
95.08614	87.9
97.06551	6.5
97.10156	8.9
99.08106	4.9
105.07033	69.9
105.25770	3.2
107.08594	100.0
109.06543	5.4
109.10163	82.5
111.08066	5.0
117.07040	7.8
119.08578	62.4
121.10148	59.8
123.11715	29.4
125.09627	7.5
127.11192	18.1
128.06175	3.9
129.07040	4.5
131.08549	16.9
133.10139	54.4
135.11700	48.7
137.13225	10.5
143.08571	7.2
145.10132	38.1
147.11699	52.4
149.13255	23.2
153.12816	7.4
157.10107	15.0
158.10945	3.9
159.11700	34.6
161.13281	29.1
163.14867	6.6
171.11699	6.7
173.13274	26.0
175.14824	26.3
177.16373	9.6
185.13245	6.4
187.14813	14.0
189.16373	20.4
191.17969	13.0
193.16003	3.9
199.14827	8.9
201.16371	14.4
203.17911	5.2
213.16443	9.2
215.18008	16.2
227.17879	7.8
229.19505	4.1
230.16257	3.2
257.22598	6.7
381.30240	3.6
423.36166	4.6
476.21484	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	476.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28002	4.2
53.03938	4.8
55.05511	24.6
56.47329	4.3
57.07062	8.6
67.05502	42.6
67.48894	4.8
69.06799	3.4
69.07072	39.1
71.04980	18.5
71.23748	8.4
79.05488	29.7
81.07065	81.8
83.08610	17.7
85.06533	6.9
91.05487	28.1
93.07047	63.0
95.08610	100.0
97.06503	9.1
97.10162	9.6
99.08052	4.0
99.08987	4.4
105.07034	46.0
107.08602	90.6
109.06529	7.3
109.10163	81.5
111.08064	5.6
111.11715	4.2
113.43359	5.0
119.08574	54.7
121.10145	67.0
123.11729	43.9
123.45994	4.6
127.11204	5.7
131.08562	13.6
133.10143	35.9
135.11705	65.9
136.69128	5.3
137.13268	9.3
145.10088	15.6
147.11697	31.1
149.13278	30.1
151.11140	9.0
153.12735	13.5
159.11665	18.2
160.40289	4.7
161.13277	22.6
163.14787	16.1
173.13239	13.2
175.14842	17.1
177.16423	10.2
185.13205	4.7
187.14830	12.6
189.16405	15.4
191.17972	30.7
199.14792	5.2
201.16353	5.3
203.17912	7.5
215.17905	7.9
217.19490	4.5
229.19473	7.1
231.21082	5.8
292.39349	4.6
300.03452	5.6
369.31573	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11147	9.5
52.08062	7.9
55.05505	16.7
57.07065	13.1
62.12877	8.3
67.05509	31.0
67.85175	8.0
69.07065	32.9
70.77125	9.5
70.77450	23.1
71.05000	37.5
71.88399	8.4
77.75513	8.0
79.05499	28.7
81.07059	96.2
81.69086	9.1
83.08625	12.2
85.06567	11.4
89.89026	7.8
91.05499	21.4
93.07033	62.8
95.08611	70.4
97.10183	14.7
99.08119	10.6
105.07023	51.2
107.08607	100.0
108.76908	8.3
109.10184	67.9
117.07071	10.5
119.08572	41.8
121.10165	65.7
123.11707	37.1
125.09669	26.4
127.07532	10.2
127.11215	22.4
130.09804	10.1
131.08614	22.1
133.10117	60.4
135.11705	49.9
143.10687	26.0
145.10139	41.6
147.11697	60.0
149.13286	24.8
159.11758	35.1
161.13290	17.1
163.14941	10.0
171.11705	17.8
173.13274	26.7
175.14835	30.8
177.16333	9.8
187.14857	29.0
189.16397	17.6
191.17960	20.6
199.14752	9.5
201.16522	17.0
213.16331	14.4
227.18059	19.4
229.19727	10.4
243.53569	10.6
260.35229	10.9
283.23965	12.7
423.36383	19.7
454.00177	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	476.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37770	16.5
55.05515	34.8
55.98468	14.7
67.05498	58.0
69.07062	51.5
71.53039	18.5
81.07050	94.1
83.04961	16.8
91.05497	28.1
93.07053	95.9
95.08624	100.0
105.07022	50.8
107.08622	87.0
109.10172	95.6
117.78724	16.8
119.08585	61.9
121.10152	65.1
123.11703	46.5
125.13563	15.9
127.11272	20.9
133.10161	38.6
135.04398	22.3
135.11699	49.8
136.04880	20.9
139.64516	17.5
144.54437	16.0
145.10149	35.5
147.11690	54.5
157.10081	24.3
159.11725	20.3
161.13290	26.7
189.16255	23.6
194.24117	15.9
201.16365	28.6
210.01834	16.6
277.17831	17.6
281.40195	18.9
352.12708	21.6
354.21362	17.2
375.27332	16.6
405.20355	21.0
458.23914	28.4
476.24979	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12674	6.2
55.05518	20.9
57.07079	12.5
64.80515	6.8
67.05509	32.1
69.03439	8.8
69.07074	45.8
69.22072	50.9
69.22487	8.8
71.05008	15.3
79.05489	22.7
81.07064	100.0
83.08610	11.4
84.63664	6.5
91.05482	20.1
93.07066	46.7
95.08613	55.1
97.10180	8.9
105.07038	39.2
107.08601	59.6
107.09966	5.2
109.10165	68.2
112.13034	6.1
119.08597	34.1
121.10164	38.1
123.11752	17.2
125.09636	15.4
127.11215	19.0
131.08556	12.2
133.10146	27.4
135.11722	26.2
137.13249	6.9
143.08563	7.6
143.10689	23.2
145.10141	27.8
147.11714	22.8
149.13239	14.1
157.10114	6.7
159.11714	17.6
161.13242	15.4
175.14751	16.4
183.11830	6.3
185.11714	8.4
185.13298	8.7
187.14838	11.0
189.16475	9.0
191.17992	7.2
251.04681	8.0
364.17422	7.8
418.79446	7.1
441.37189	10.0
466.29834	6.5
476.21399	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	476.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03525	9.6
55.05512	18.4
57.07071	9.5
62.42102	9.0
67.05490	42.4
69.03417	16.6
69.07063	32.3
71.04977	33.1
71.53499	17.8
79.05474	38.0
81.07059	73.5
83.08585	15.1
86.09708	32.1
91.05472	31.5
93.07054	90.0
93.07607	17.4
93.33678	10.2
95.08614	88.9
97.15685	11.8
99.08131	13.5
101.41615	12.6
105.07029	55.7
107.08612	100.0
109.10184	89.5
119.08576	50.6
121.10130	55.4
123.11669	14.9
125.09641	14.5
127.11195	21.0
131.08517	14.8
133.10161	55.5
135.11713	57.2
143.10551	11.4
145.10114	33.2
147.11699	27.9
149.13263	43.7
153.12862	16.6
159.11726	20.0
161.13342	18.1
173.13315	13.6
175.14803	21.1
273.94229	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	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92867	1.6
55.05518	7.3
57.03439	4.1
62.05795	2.5
62.06100	39.1
65.03958	1.5
67.05512	34.7
69.07077	11.4
71.52264	1.7
79.05076	1.7
79.05505	20.3
81.07070	26.3
83.08615	3.7
85.05248	1.6
86.02615	1.4
89.08791	1.7
91.05492	10.4
93.07053	23.8
95.04984	2.2
95.08626	20.7
98.06078	4.6
98.98479	11.6
105.07040	9.4
107.08617	12.4
109.10178	9.2
117.07015	1.6
119.08597	5.4
121.10185	6.8
123.11708	1.6
124.01576	2.3
131.08603	3.8
133.10172	4.6
135.11702	5.5
145.10199	1.5
147.11707	2.6
149.13297	3.5
155.01068	3.0
155.81493	1.5
159.11751	1.9
161.13231	2.3
163.14798	2.1
173.02119	3.1
187.14951	1.6
198.05367	3.3
216.06441	3.4
243.21024	2.0
261.22302	7.8
267.07999	1.5
304.22958	3.1
304.26364	50.2
317.24530	1.7
335.25833	100.0
398.27106	1.5
415.22232	1.7
458.26782	6.1
476.27731	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	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
53.03944	1.4
55.01873	0.3
55.05518	7.2
57.03444	7.3
57.07067	0.5
57.96572	0.2
62.06078	0.4
62.14863	0.2
65.03951	1.4
67.05511	27.3
69.03431	0.3
69.07073	6.6
70.77959	0.5
71.04984	1.0
71.08622	0.3
75.21473	0.2
79.05500	14.2
81.07063	23.6
83.04990	0.7
83.08623	2.4
85.06552	0.7
91.05487	7.1
93.07051	15.0
95.04981	1.0
95.08614	18.3
97.06525	0.8
97.10169	1.1
98.06065	0.4
98.98463	0.5
105.04556	0.6
105.07042	4.3
107.08604	6.9
109.06542	0.5
109.10165	6.1
111.08061	0.4
112.74398	0.3
117.07063	1.5
119.08587	2.8
121.10158	4.9
123.08067	0.4
123.11695	1.8
124.01611	0.5
125.09650	0.3
129.06956	0.3
130.07767	0.3
131.08568	2.0
133.10158	2.2
135.11711	2.6
137.09692	0.2
137.13295	0.4
145.10149	1.4
147.11658	1.0
149.13257	1.4
159.11708	1.1
161.13274	0.6
163.14827	0.3
173.13304	0.6
187.14859	0.6
198.05270	0.5
216.06392	0.5
218.08066	0.3
260.01120	0.3
261.22101	0.6
279.72110	0.2
304.26367	2.7
335.25821	100.0
336.26138	1.4
498.14041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37158	3.7
69.07070	8.1
71.52727	4.6
72.08144	6.9
76.98027	5.0
83.04970	7.2
91.05486	8.7
94.04234	5.2
95.04937	6.6
95.08624	5.0
103.05442	9.1
107.04949	5.2
109.06505	4.8
111.04447	8.2
113.17106	3.8
115.05450	4.4
117.07037	8.0
122.03640	6.7
128.06197	7.8
129.07027	21.3
131.04936	12.0
132.05777	4.5
136.05226	7.8
137.05991	100.0
139.07520	10.3
145.02927	5.6
145.06508	9.3
146.07205	5.6
147.47569	4.6
151.07567	87.1
153.05507	4.8
157.06493	25.1
158.07272	8.3
160.05264	4.7
163.07591	8.0
167.07002	5.0
172.08856	9.7
173.05988	9.2
174.06818	17.6
175.07626	27.5
177.05484	11.4
177.09114	17.9
187.07614	21.7
188.08334	20.1
189.09116	64.2
191.10625	5.4
201.09146	75.6
203.10670	51.7
217.08646	9.6
221.11713	5.3
231.10158	15.8
246.10367	5.9
262.09979	5.4
271.82217	3.9
274.09900	5.6
284.10425	9.6
285.11157	6.5
291.10233	4.8
293.11823	5.8
300.15982	6.7
305.11771	14.9
310.12317	7.1
319.54205	4.4
325.14465	24.1
337.14435	32.4
355.15436	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.3
62.06086	6.9
67.05233	1.7
67.05516	17.6
69.07089	8.1
69.07372	1.8
70.06551	2.2
70.77879	5.1
71.72808	1.6
79.05482	8.2
81.07069	18.4
81.74215	1.8
83.08622	2.2
85.05289	2.4
85.82491	1.8
91.05482	6.0
93.07052	17.7
95.08617	20.5
98.06071	13.3
105.07050	12.9
107.08595	12.7
109.10182	13.4
115.05465	2.0
119.08572	7.6
121.10154	5.9
133.06517	3.6
133.10150	4.2
135.11707	11.3
147.11668	7.5
161.05974	3.3
161.13239	3.2
193.08618	5.4
194.84799	1.9
203.17914	5.4
304.26373	100.0
335.25931	17.9
413.93439	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.4
67.05512	2.7
69.07070	2.7
69.46660	5.9
69.47090	5.4
79.05507	2.9
81.07059	2.4
83.04984	3.6
88.60744	1.7
90.55325	1.5
91.05477	5.9
94.04192	2.3
95.05000	1.6
103.05470	6.7
106.14555	1.6
107.04975	4.4
108.05745	2.0
115.05453	4.6
117.07012	4.2
119.04948	1.6
121.06509	3.4
122.03635	3.5
124.05222	1.7
125.05976	1.9
128.06224	3.2
129.07007	20.0
131.04924	18.2
135.04378	1.8
136.05190	10.6
137.05989	100.0
138.55255	1.8
139.07542	8.6
143.04900	2.0
143.08568	2.1
145.06488	5.1
146.07292	7.3
147.08145	1.8
151.07553	82.7
153.05499	2.8
157.06499	23.2
158.07286	5.5
159.08054	1.9
160.05203	5.7
160.08823	1.9
161.06003	6.1
163.07536	8.8
167.07053	4.8
172.05214	2.8
172.08830	13.4
173.06000	6.2
174.06776	16.0
175.07568	31.0
177.09111	20.0
187.07571	28.6
188.08324	17.0
189.07408	3.7
189.09109	63.4
191.10757	3.2
199.07587	2.2
201.09111	30.0
203.10677	42.7
205.08603	2.9
207.10277	3.0
217.08575	9.5
217.87396	2.0
219.10130	3.0
221.11737	7.3
225.09021	2.0
227.12802	1.7
231.08310	1.6
231.10179	9.2
235.09688	2.5
247.07492	2.6
249.11272	2.9
254.09433	1.9
261.08997	2.3
262.09894	6.1
269.08047	2.2
277.12122	2.0
279.10132	4.7
284.10413	8.4
285.11230	8.0
291.10175	2.8
293.11728	4.4
294.12616	3.2
295.09830	2.3
297.11353	4.7
305.11737	8.2
306.12512	5.0
310.12024	4.9
322.11862	2.2
325.14349	24.7
337.14294	23.7
343.15475	3.2
355.11426	2.1
355.15457	34.8
476.27020	2.3
480.44131	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	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01874	2.8
55.05498	1.2
57.03440	1.5
61.02924	2.6
67.05499	2.2
68.99795	1.5
69.03429	13.1
69.07063	3.0
69.86339	3.5
70.06598	2.4
71.04996	47.8
73.02929	2.8
79.05495	1.6
81.03416	11.1
81.07060	5.9
85.02909	31.8
87.00826	13.9
91.03938	1.8
91.05471	2.0
93.07046	2.4
95.08599	4.5
97.02905	12.5
99.04460	4.8
105.01870	17.2
105.07021	3.7
107.04998	1.2
107.08579	6.2
109.02879	10.0
109.10142	2.5
112.93155	1.2
119.08638	3.1
121.10157	30.4
123.08059	1.8
123.11715	31.1
124.03985	1.3
127.03918	19.1
131.08551	1.4
133.10088	3.4
135.11682	3.6
137.05925	1.4
139.11218	1.3
145.04985	8.2
149.13274	2.3
151.11223	6.0
159.02863	5.9
165.09084	2.1
165.12787	5.3
175.14819	7.6
193.15891	100.0
210.18552	1.4
211.16960	57.2
213.03951	1.7
231.04990	5.2
249.06213	2.5
264.90311	1.3
310.20828	1.3
439.91699	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.5
55.01871	3.3
55.05527	2.5
57.03436	3.6
57.07071	2.0
61.02930	1.5
67.05489	5.0
68.99818	1.2
69.03443	15.4
69.07072	4.5
70.82389	1.2
70.82727	2.2
71.05000	45.2
73.02921	1.4
79.05481	4.2
79.41283	1.0
81.03424	10.1
81.07064	22.2
82.06586	1.3
83.08649	1.0
85.02914	28.5
85.06545	3.9
87.00839	13.7
90.89167	0.9
91.05470	5.1
93.07042	12.5
94.06573	1.2
95.05000	1.6
95.08614	23.1
97.02914	9.1
97.10136	1.4
99.04447	5.1
99.08105	4.1
102.58028	0.9
103.05491	1.5
105.01869	14.4
105.07048	8.2
107.04967	1.6
107.08606	19.5
109.02899	10.5
109.06493	2.9
109.10164	17.8
111.08107	5.1
111.11728	1.9
113.09612	2.7
115.05490	1.8
117.07047	2.1
119.08595	33.2
121.06567	1.1
121.10133	6.3
123.08086	18.4
123.11717	66.7
125.09666	1.6
127.03934	24.6
129.06999	1.3
131.04967	2.1
131.08553	1.4
132.64192	1.1
133.10144	46.8
135.04427	30.0
135.10689	2.1
135.11702	29.5
137.09607	5.0
142.08618	1.8
145.04987	6.0
145.06497	2.4
147.04376	1.1
147.11731	4.2
147.19763	1.2
149.02350	3.5
149.13274	4.1
151.14894	1.0
154.08606	5.8
157.06468	2.0
159.02899	4.1
159.04326	1.9
161.06004	2.8
162.29198	1.2
167.01688	5.0
169.03224	4.1
173.06024	3.6
175.07730	1.2
175.14839	100.0
185.05956	1.2
187.02217	1.0
187.07573	1.4
193.03113	2.1
193.15898	78.3
195.04813	1.3
203.07063	4.7
205.03300	2.9
211.16960	35.2
213.03909	3.2
217.03162	1.7
219.04762	1.3
231.04979	7.3
249.06087	2.5
253.29442	1.1
277.08759	1.3
306.08804	1.2
306.21500	1.1
339.06979	3.2
340.13089	1.2
341.08710	1.1
351.07092	2.0
357.07764	1.7
369.07880	3.0
387.09015	15.7
422.29330	1.2
423.20020	3.6
428.11676	1.4
440.30124	2.0
453.34940	1.2
459.10934	4.1
476.13681	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	476.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01869	1.6
55.61493	1.5
57.03453	1.7
58.06596	5.2
65.03951	1.4
67.05507	2.8
69.03420	6.0
69.65313	6.1
69.65723	3.3
70.06597	21.3
71.04987	2.1
72.08146	2.7
73.02963	1.5
76.56668	1.3
79.05495	12.7
81.03412	4.3
81.07066	9.0
83.04960	5.7
85.02917	13.1
86.09716	2.1
88.07649	8.7
91.05489	25.4
93.07042	14.0
95.04980	34.4
97.02900	5.4
103.05476	1.7
104.19415	1.3
105.07039	79.8
106.06548	3.8
106.08646	2.0
107.04962	4.7
107.08585	3.7
109.02882	2.5
111.04472	1.7
115.05455	7.3
116.04994	3.2
117.07026	5.3
118.04177	2.8
119.08585	3.9
121.06460	2.1
121.10155	14.1
123.08039	1.6
123.11671	1.7
127.03935	4.2
129.06985	1.9
131.04880	2.3
131.08585	19.8
133.06508	38.7
134.06026	82.8
135.06453	1.5
136.03970	1.6
137.06024	1.3
143.06033	2.4
143.08534	1.6
145.04953	4.3
145.10133	13.7
147.04431	3.1
147.08043	4.0
147.11688	2.1
149.09621	28.3
152.07076	56.6
160.65462	1.4
161.05995	56.6
163.11223	2.9
167.10681	1.7
177.05435	3.3
191.10745	3.0
193.08632	44.0
208.13293	3.9
209.11752	3.4
220.13356	2.7
233.11658	1.5
249.07339	1.5
260.16440	13.7
278.17529	53.6
279.17969	1.7
296.18585	100.0
314.13937	1.8
314.19659	20.9
335.72656	1.5
344.63235	1.6
350.21948	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01880	2.1
55.05521	2.1
57.03438	1.4
61.02934	1.3
67.05515	1.9
69.03438	5.0
69.07069	2.5
69.64021	3.1
71.05006	3.0
73.02921	1.0
79.05500	1.8
80.92941	0.6
81.03415	4.3
81.07062	6.9
83.08625	1.2
84.08172	0.7
85.02915	15.2
87.00833	6.0
91.05496	3.0
93.07037	5.8
95.08612	10.8
97.02908	4.9
97.06531	0.7
99.04465	2.1
99.08103	4.1
100.11249	1.7
105.01866	6.5
105.07041	6.4
107.04966	4.3
107.08595	8.0
109.02884	4.6
109.06499	1.0
109.10159	2.1
113.09650	1.8
117.07015	0.8
119.08591	52.9
121.10141	1.9
123.11704	3.9
127.03929	9.6
128.07097	1.0
131.08556	1.3
133.10138	96.8
134.10492	0.7
135.11699	18.2
143.05025	0.6
145.04962	4.8
145.10133	1.3
147.11705	2.7
159.02869	3.0
160.12442	1.0
164.07039	0.9
175.14833	100.0
176.15128	0.6
182.15363	0.7
193.15898	30.2
198.11287	1.1
210.14948	0.8
211.16936	29.4
220.09828	0.6
231.05011	2.5
237.09055	0.6
249.05983	1.6
255.10210	1.5
272.12964	1.3
276.39355	0.6
314.13876	5.1
314.19598	1.0
322.00101	0.6
375.00253	0.7
389.81189	0.9
426.31848	0.7
453.34122	1.6
458.25418	1.0
476.19434	0.6
476.27121	0.9
486.85202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.5
55.01871	3.3
55.05527	2.5
57.03436	3.6
57.07071	2.0
61.02930	1.5
67.05489	5.0
68.99818	1.2
69.03443	15.4
69.07072	4.5
70.82389	1.2
70.82727	2.2
71.05000	45.2
73.02921	1.4
79.05481	4.2
79.41283	1.0
81.03424	10.1
81.07064	22.2
82.06586	1.3
83.08649	1.0
85.02914	28.5
85.06545	3.9
87.00839	13.7
90.89167	0.9
91.05470	5.1
93.07042	12.5
94.06573	1.2
95.05000	1.6
95.08614	23.1
97.02914	9.1
97.10136	1.4
99.04447	5.1
99.08105	4.1
102.58028	0.9
103.05491	1.5
105.01869	14.4
105.07048	8.2
107.04967	1.6
107.08606	19.5
109.02899	10.5
109.06493	2.9
109.10164	17.8
111.08107	5.1
111.11728	1.9
113.09612	2.7
115.05490	1.8
117.07047	2.1
119.08595	33.2
121.06567	1.1
121.10133	6.3
123.08086	18.4
123.11717	66.7
125.09666	1.6
127.03934	24.6
129.06999	1.3
131.04967	2.1
131.08553	1.4
132.64192	1.1
133.10144	46.8
135.04427	30.0
135.10689	2.1
135.11702	29.5
137.09607	5.0
142.08618	1.8
145.04987	6.0
145.06497	2.4
147.04376	1.1
147.11731	4.2
147.19763	1.2
149.02350	3.5
149.13274	4.1
151.14894	1.0
154.08606	5.8
157.06468	2.0
159.02899	4.1
159.04326	1.9
161.06004	2.8
162.29198	1.2
167.01688	5.0
169.03224	4.1
173.06024	3.6
175.07730	1.2
175.14839	100.0
185.05956	1.2
187.02217	1.0
187.07573	1.4
193.03113	2.1
193.15898	78.3
195.04813	1.3
203.07063	4.7
205.03300	2.9
211.16960	35.2
213.03909	3.2
217.03162	1.7
219.04762	1.3
231.04979	7.3
249.06087	2.5
253.29442	1.1
277.08759	1.3
306.08804	1.2
306.21500	1.1
339.06979	3.2
340.13089	1.2
341.08710	1.1
351.07092	2.0
357.07764	1.7
369.07880	3.0
387.09015	15.7
422.29330	1.2
423.20020	3.6
428.11676	1.4
440.30124	2.0
453.34940	1.2
459.10934	4.1
476.13681	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	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22672	0.5
53.03960	1.2
54.36040	0.6
55.01887	1.1
55.05517	2.6
56.72770	0.6
57.03444	1.0
61.02921	1.1
64.83555	0.6
67.05506	1.0
68.99788	0.7
69.03434	5.8
69.07090	2.4
69.52702	4.2
71.05004	2.6
73.02925	1.1
79.05511	1.7
81.03418	4.8
81.07063	7.6
83.05036	0.8
83.08636	1.1
85.02911	13.2
85.03381	1.0
87.00831	6.2
91.05465	3.0
93.07047	4.7
94.18133	0.5
95.04982	0.9
95.08615	12.6
97.02903	4.7
97.06529	0.8
99.04501	1.5
99.08102	4.2
100.11289	2.1
105.01881	6.3
105.07041	6.4
107.04962	1.5
107.08603	8.5
109.02896	3.9
109.06553	0.7
109.10162	1.8
110.53956	0.7
111.22485	0.8
113.09692	1.5
115.04078	0.6
119.08595	48.5
121.10149	1.9
123.11694	4.3
127.03909	8.8
128.07080	0.9
131.08559	1.4
133.10143	95.1
134.10507	0.8
135.11700	15.6
137.09631	0.9
142.45908	0.6
145.05011	4.1
145.10080	0.9
147.02876	0.9
147.11719	2.1
159.02919	2.5
161.05984	0.6
175.14838	100.0
176.15178	0.8
182.15378	1.0
193.15898	26.0
211.16945	30.9
231.04799	3.1
249.05963	1.1
255.10101	1.4
284.02490	0.8
314.13873	2.5
358.78683	0.7
373.65024	0.6
377.03598	0.6
453.34915	1.3
459.00558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.01877	7.1
55.05504	6.6
57.03422	7.8
57.07054	4.6
58.06614	2.8
59.04990	5.3
60.04531	3.8
61.02924	8.1
65.11472	2.2
67.05496	8.0
69.03433	47.7
69.07058	4.9
70.06595	6.9
71.04996	50.7
71.10952	2.1
71.52998	3.8
72.08183	4.1
73.02905	8.6
73.62089	2.4
74.06093	2.6
74.98071	2.1
77.59611	2.8
77.65255	2.2
79.05487	5.9
81.03416	21.5
81.07057	21.8
82.06570	3.0
84.08121	6.0
85.02910	100.0
85.06541	4.5
86.09703	2.9
87.00311	3.6
87.00830	42.7
87.04464	10.4
87.08113	5.8
91.05482	8.2
93.07046	9.0
95.04942	5.1
95.08617	16.2
97.02896	38.5
97.06553	4.7
99.04437	12.0
99.08135	2.2
105.01198	3.9
105.01871	59.1
105.07018	9.4
107.04971	13.0
107.08604	20.9
109.02896	26.7
109.06541	3.4
109.10136	10.1
111.08060	2.4
115.03973	16.6
119.08600	20.4
120.08906	2.9
121.06487	4.4
121.10153	17.1
123.08067	9.4
123.11713	63.8
123.13689	2.7
127.03928	58.3
128.07101	17.0
129.01863	3.3
131.08597	2.8
133.04985	12.5
133.10135	28.4
135.11681	14.8
137.05930	2.9
137.09610	5.1
145.04967	23.2
149.13261	4.9
151.07544	3.0
151.11201	7.8
151.14877	2.8
159.02879	6.9
161.05984	2.6
165.09116	6.0
170.10989	2.4
175.14836	62.8
189.03883	3.6
192.14763	2.4
193.15891	65.9
209.15356	2.7
210.15823	4.5
211.16924	37.5
213.03912	3.8
228.16774	3.3
231.05013	20.0
249.06071	4.4
255.10188	9.3
272.12845	4.2
314.14008	18.6
333.58902	2.5
426.32187	5.7
458.34775	5.8
476.19214	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	476.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01868	0.8
55.05494	0.5
63.11745	0.5
67.05502	1.9
68.05036	0.6
69.03441	0.7
69.48193	3.9
70.06614	2.8
79.05489	0.8
81.03434	7.2
81.07055	0.8
82.06572	1.8
83.04995	0.8
84.08153	59.4
85.02910	1.0
91.05488	1.4
93.07033	0.9
95.04985	3.5
95.08598	1.7
97.02921	0.9
97.06535	0.8
105.01917	0.6
105.07033	1.5
107.04959	1.8
107.08604	0.9
108.05816	0.9
108.08190	0.6
109.06496	0.6
109.10140	0.9
119.08601	0.8
121.02825	0.8
121.06516	0.9
123.04447	0.8
124.07597	0.9
125.87478	0.7
127.03902	1.3
131.08578	0.5
133.06497	1.4
135.04439	0.8
135.08069	0.7
136.05232	1.5
145.06459	1.2
146.07262	0.8
151.07559	58.4
152.07048	2.8
158.07271	0.6
159.08054	1.3
160.05196	0.6
160.08887	1.7
161.06009	1.6
163.07518	0.7
164.10799	0.8
165.05530	1.8
170.08130	1.0
172.08838	2.0
173.06020	1.3
174.06764	0.8
175.07654	1.3
177.09146	2.6
179.07130	1.1
187.07478	0.7
188.08369	2.6
189.09116	9.4
191.10730	2.4
193.12250	1.2
200.08408	0.7
201.09172	2.8
202.09877	0.8
203.10725	5.6
208.09660	1.0
210.11281	1.6
210.15712	0.6
211.13365	1.8
213.09164	0.9
215.10774	0.7
217.08653	0.6
219.10175	3.2
227.10693	0.8
231.10240	3.8
233.08224	1.0
249.11288	0.9
255.10146	0.6
264.12381	1.3
395.76309	0.6
428.20697	0.9
430.22495	3.3
434.36020	0.7
440.20605	1.7
458.21802	15.0
476.22858	100.0
477.23172	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	476.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01875	1.7
57.03444	24.2
59.02811	0.6
59.05009	5.7
60.04537	2.7
61.02937	2.0
66.13479	0.6
69.03436	80.1
70.12577	0.6
70.21371	1.0
70.21747	1.0
71.05001	1.0
73.02928	2.2
75.04497	1.7
78.09879	0.6
79.05482	0.7
81.03426	3.8
82.41415	0.6
85.02914	63.4
87.04476	54.3
87.05037	0.9
91.03980	1.3
97.02901	60.3
98.06062	0.6
99.04468	2.5
103.03954	1.1
103.05496	0.9
105.07043	7.5
107.04958	3.5
109.02889	3.2
111.04408	0.7
115.03941	92.8
117.30463	0.7
118.65762	0.7
121.06509	0.6
123.04442	1.6
124.05222	10.3
127.03953	7.1
129.06999	0.9
133.04979	100.0
133.06566	4.6
137.05992	15.7
144.06581	1.5
145.04967	10.4
145.06483	1.6
147.04431	1.7
150.06459	0.8
150.07637	11.5
151.03931	1.0
157.06506	1.9
161.04630	0.7
161.06013	1.6
162.07675	1.5
163.06053	1.9
163.07431	0.8
164.07068	0.8
165.09135	34.7
169.04982	2.0
175.06023	0.9
177.09143	1.0
180.08743	1.3
187.06137	0.7
189.09138	4.2
201.09201	3.8
203.10680	0.9
205.07013	0.7
207.10152	3.6
220.09653	1.1
223.06094	1.4
229.07069	1.2
231.10201	2.1
241.07121	2.4
243.10187	2.8
255.10219	2.1
259.08163	4.2
261.11285	0.8
271.42014	0.7
272.12833	2.2
277.09164	2.6
295.10193	1.6
314.13831	6.0
439.44055	0.8
476.19113	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37320	0.6
53.00628	0.7
71.52721	0.6
73.98185	0.7
79.05486	1.0
89.03924	8.8
91.05489	4.0
93.07084	1.0
95.04951	1.5
97.94832	0.6
106.04193	0.7
111.92336	0.8
117.03391	27.7
117.66637	0.7
119.04938	3.0
121.06516	7.5
130.65663	0.7
133.87929	0.7
134.03604	1.8
135.04424	3.2
135.08049	1.1
137.05994	1.0
143.04930	0.9
145.02856	69.0
147.04428	1.1
149.06004	7.6
151.07556	17.7
163.03937	1.3
175.07550	0.8
177.05486	100.0
178.06071	1.7
178.08662	6.9
181.05870	0.7
185.88803	0.7
186.05524	2.8
218.93863	0.7
251.10814	0.8
257.80933	0.8
283.13263	1.4
299.78333	0.7
300.15970	49.4
476.20776	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	476.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
54.34835	1.0
55.01874	1.6
55.05495	0.9
57.03445	5.3
58.06596	1.5
59.04996	0.9
60.04531	1.5
61.02911	2.7
63.38993	0.9
66.16503	0.9
67.05494	2.3
69.03087	1.3
69.03433	19.9
70.06582	1.7
71.53539	1.5
72.08146	1.3
73.02903	3.7
79.05490	2.0
80.92827	0.9
81.03421	6.2
81.07048	1.1
84.08153	1.3
85.02906	21.2
86.06054	1.2
86.09691	2.1
87.04478	10.8
91.05477	3.9
92.16796	1.0
93.07035	1.9
94.07318	1.0
95.04942	1.0
97.02891	15.9
99.04462	1.7
100.11336	1.0
100.69559	0.9
103.05459	1.4
105.01865	1.3
105.07007	3.0
107.04958	53.5
107.08588	1.4
109.02869	3.7
115.03931	15.1
115.05457	3.5
117.00880	0.9
117.02510	0.9
119.04911	2.5
121.02824	1.5
121.06512	8.0
121.10168	1.6
123.04433	10.2
124.05179	2.1
127.03917	7.1
131.04912	1.6
133.04971	15.4
133.06511	3.4
133.10124	2.5
135.04424	1.3
135.11571	0.9
136.07530	3.6
137.05977	13.1
137.30551	0.9
143.04906	11.2
144.35580	0.9
145.04971	2.9
145.06509	6.9
147.04393	6.5
148.05162	1.1
149.05972	2.5
149.09598	1.8
150.07643	2.6
151.03897	2.1
151.07613	2.0
151.11194	1.0
161.05988	17.9
163.03842	1.8
164.07065	10.1
165.09099	6.3
175.07613	0.9
178.08594	5.3
181.10042	1.1
189.09058	1.3
193.12199	1.4
194.07269	1.1
194.51173	1.0
201.09142	0.8
206.08099	4.2
209.09622	3.4
220.09717	11.7
226.06172	1.4
237.09114	3.9
243.10400	1.2
255.10175	39.0
272.12820	31.9
272.15802	2.0
314.13864	100.0
314.94928	1.0
315.04932	3.1
359.99771	1.0
403.80777	1.0
476.19199	22.8
476.99524	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.192
Annotation	Dauricoside
Peak:m/z	Relative Intensity
53.03955	0.8
55.01877	0.7
55.05494	0.8
57.02360	0.6
57.03438	1.3
58.06602	0.9
59.33616	0.5
61.02929	1.2
62.52265	0.6
69.03433	3.9
69.26435	3.5
69.26850	1.1
70.06594	1.0
71.04988	1.4
73.02898	0.8
79.05514	1.2
81.03406	1.5
81.07069	1.3
83.08623	0.6
85.02917	7.1
86.06078	1.2
86.09689	0.7
87.04477	0.6
91.03972	0.5
91.05500	2.7
93.07050	1.9
95.04971	1.3
95.08617	1.8
97.02917	3.1
99.04468	1.1
100.11262	1.4
105.03392	0.6
105.07026	1.9
107.04964	57.0
107.08602	1.1
109.02890	1.4
109.10168	0.7
115.05450	4.7
117.07005	1.1
119.04957	1.3
119.08598	5.4
121.02856	0.5
121.06513	8.1
121.10143	0.7
123.04439	7.8
127.03919	2.0
131.04929	1.5
133.06500	2.0
133.10135	8.4
134.06010	0.6
135.04431	0.8
135.11755	1.4
136.07559	3.4
137.05981	5.3
143.04929	10.9
145.04901	0.6
145.05316	0.6
145.06493	6.8
147.04430	1.1
148.05066	0.7
148.07535	0.8
149.06000	1.2
151.03935	0.9
152.07111	0.5
160.07599	0.6
161.05988	15.3
164.07079	11.8
165.09099	0.6
166.09541	0.6
175.14836	11.0
178.08650	4.2
182.15414	0.7
190.08606	0.7
191.08530	0.7
193.15919	2.2
194.07318	1.0
195.08127	0.6
206.08121	3.4
209.09689	3.2
210.14944	0.9
211.17001	3.0
219.08012	0.9
220.09697	11.7
222.06866	0.5
227.10524	0.6
237.09055	4.1
240.07919	0.6
255.10179	34.7
272.12836	34.5
297.11252	1.4
314.13879	100.0
315.14532	1.2
390.11255	0.6
398.26816	0.6
453.34583	1.4
460.43378	0.5
475.82635	1.0
476.19299	15.0
476.32663	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01884	4.1
55.32043	0.6
57.03430	1.9
61.02924	1.3
61.37414	0.5
68.99751	0.9
69.03435	7.9
69.99897	2.0
70.06586	1.0
71.04984	1.4
72.08147	2.0
73.02901	2.1
79.05503	5.4
81.03418	8.2
81.07050	1.0
85.02909	17.2
87.00826	7.7
91.03912	0.9
91.05485	3.1
93.07029	0.8
95.04960	1.9
95.08649	0.8
97.02890	6.7
98.06005	0.9
98.20790	0.7
99.04463	4.5
103.05479	6.9
105.01868	4.6
105.07037	49.0
107.04941	1.0
108.04489	3.4
109.02878	6.7
111.04493	0.7
115.05449	10.0
118.04145	2.2
119.04958	1.7
121.06547	1.8
123.08056	0.8
126.05508	2.3
127.03926	11.5
129.01834	1.0
131.04901	1.2
133.06497	48.3
137.05965	0.8
143.04997	1.3
143.06053	4.9
145.04951	4.7
147.02896	1.0
159.02907	4.8
161.05983	98.0
189.08980	1.0
193.08612	100.0
194.08887	1.1
211.09651	1.4
230.06677	1.3
231.04985	2.3
248.07648	3.0
260.16440	1.3
278.17441	2.0
296.18665	3.5
314.19669	3.8
476.17697	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47202	0.3
53.03935	0.4
55.01868	0.7
55.05497	0.9
56.17998	0.3
57.03440	1.8
57.03686	0.2
58.06583	1.3
59.04976	0.3
60.04508	0.9
61.02918	0.4
63.54383	0.3
65.03919	0.7
67.05471	0.4
69.03435	6.1
69.07090	0.4
70.06591	2.0
71.04980	0.6
72.08160	7.2
73.02897	0.9
74.06100	0.4
74.09737	0.4
79.32605	0.3
81.03421	0.9
81.07040	0.9
82.06588	0.4
83.05000	0.4
84.04478	0.6
84.08137	2.6
85.02908	6.8
85.06526	0.3
86.06078	0.4
86.09708	4.6
87.00841	0.6
87.04474	4.2
91.05489	5.2
93.07043	0.3
97.02894	4.8
99.04440	0.5
103.05460	0.4
104.07076	1.1
105.01844	0.8
105.07020	3.9
107.04952	2.3
109.02876	1.4
115.03927	4.7
115.05473	1.1
116.07088	1.1
119.04951	15.0
119.08517	0.4
120.08119	0.4
121.02892	0.9
121.06517	0.3
121.10158	0.7
123.04424	0.6
123.11706	2.2
124.12031	1.7
127.03908	2.2
128.04234	0.4
129.10301	0.7
130.08623	0.9
133.04979	5.0
133.06505	3.7
133.10150	0.6
134.10468	0.3
137.05981	0.6
141.06920	0.4
143.04936	0.8
143.06021	0.5
145.04965	1.2
145.06076	0.5
147.04416	100.0
148.04749	0.7
149.05992	0.3
150.07634	0.8
151.03880	0.4
153.52112	0.4
159.02907	0.5
161.05988	7.2
164.07088	0.5
165.05487	8.6
169.04979	1.1
174.13686	0.4
178.08621	0.7
185.63951	0.3
189.05495	0.8
193.08606	7.2
207.06506	1.6
210.18565	0.4
215.13934	0.9
228.17339	0.3
228.19637	1.1
231.05000	0.5
233.14931	1.1
244.12880	2.6
245.92854	0.3
279.08719	0.9
297.09775	0.9
309.09833	0.8
314.07144	0.5
314.17361	2.9
326.07501	0.8
326.74167	0.3
329.21790	0.4
338.07428	1.4
356.08374	0.9
357.21448	0.7
380.08386	0.4
422.09592	0.6
458.11850	0.8
476.17950	1.2
476.23917	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	475.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01878	1.4
55.05513	4.2
57.03415	1.2
62.82019	0.3
64.48579	0.3
65.03924	0.5
67.05510	9.2
69.03412	0.9
69.07079	2.8
70.06574	0.5
71.04977	0.7
71.52164	0.3
71.52581	0.3
72.98460	0.3
79.05498	6.7
81.03427	11.1
81.07064	9.7
83.04991	2.4
83.08240	0.2
83.08628	3.2
84.04498	0.7
85.02876	0.5
85.06524	0.5
91.05485	6.2
93.06484	0.4
93.07048	7.2
95.04979	4.7
95.08617	9.5
97.02879	0.9
97.06558	1.4
97.10185	1.6
99.04449	0.8
99.05574	0.3
100.11194	0.3
101.06016	0.5
103.05432	0.4
105.07037	3.7
107.04967	3.1
107.07883	0.3
107.08601	5.7
109.02892	0.4
109.06516	0.9
109.10161	7.0
109.51508	0.3
111.04445	1.0
111.08076	0.9
113.05886	0.3
113.09670	0.3
115.05447	0.5
117.07008	2.5
119.08587	5.6
121.02869	0.3
121.06494	2.1
121.10145	3.4
122.07303	2.1
123.08067	1.0
123.11724	1.6
125.06010	0.4
125.09653	0.6
127.11205	0.4
128.06242	0.4
129.06998	1.3
130.05034	0.4
131.04935	0.5
131.08594	1.8
133.06493	1.0
133.10124	1.6
135.08035	1.1
135.11705	5.3
137.06041	0.3
137.09630	11.7
137.13216	0.6
141.07103	0.3
142.07767	0.4
143.08563	0.8
145.06445	0.9
145.10123	3.7
147.04416	0.6
147.08057	1.1
147.11705	0.7
149.06004	0.3
149.09631	3.0
149.13287	0.4
151.07578	0.5
151.11201	0.3
151.14745	0.8
153.09108	0.6
153.12759	1.0
157.10127	1.3
159.08038	0.4
159.11777	0.4
161.05980	0.8
161.09625	0.3
161.13161	0.3
163.07487	0.3
163.11197	7.5
165.09125	100.0
166.09491	0.7
171.08191	0.3
173.05978	0.4
173.09633	0.8
173.13274	0.3
175.11177	0.7
177.09106	0.7
179.10686	0.9
181.12254	1.7
183.08058	0.3
183.11696	0.4
189.09183	0.5
189.11159	0.5
189.12805	0.5
190.09924	0.3
191.10655	0.6
191.14363	0.3
193.12259	3.1
197.06300	0.3
197.09587	0.3
198.28491	0.3
203.10770	0.6
205.12259	3.6
209.11723	0.8
211.11246	0.4
219.13727	0.3
227.12798	12.8
231.13794	0.4
247.13362	0.7
249.14888	1.0
259.24368	0.3
265.14325	0.3
269.15475	0.5
271.13303	0.6
289.14304	0.7
323.25998	0.8
355.22653	0.6
358.89328	0.3
365.20850	0.7
383.22171	3.6
401.23160	1.3
421.23520	0.3
429.33841	0.6
431.24515	0.8
457.25937	2.8
457.32324	0.4
475.27008	18.8
475.33884	0.9
476.27570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03248	1.1
50.33555	1.3
53.03935	3.9
55.01870	3.9
55.05508	3.9
57.03446	2.2
58.05919	1.1
59.05012	1.6
65.03968	1.3
67.05492	3.5
69.03434	13.3
69.07050	2.0
70.06588	2.9
70.76812	2.6
71.05006	15.5
73.02947	1.6
74.47116	1.5
79.05486	3.3
81.03421	13.2
81.07064	15.7
83.04972	2.7
85.02444	2.1
85.02915	28.8
85.06569	9.1
87.00842	10.0
91.03963	1.3
91.05485	7.3
93.07058	12.9
94.25057	1.3
95.04990	6.2
95.08617	12.1
97.02895	8.3
97.06551	2.9
99.04465	47.0
99.08137	1.8
105.01894	6.4
105.07051	33.4
106.63564	1.2
107.08604	9.6
109.02892	9.7
109.06528	2.1
109.10146	6.8
111.08118	1.5
115.03900	1.5
116.91114	1.2
119.08598	35.2
121.06489	1.8
121.10159	20.7
123.08092	3.5
125.06009	2.2
125.09695	6.2
127.03931	16.0
129.01863	1.4
129.07024	2.3
131.08580	27.0
133.10161	25.4
135.08069	3.3
135.11723	1.9
137.09641	2.3
141.09096	2.7
145.04968	5.8
145.10150	2.4
147.11674	3.2
149.13280	3.4
151.11194	16.2
153.09116	8.8
158.10860	1.6
159.02901	2.4
161.13274	69.5
163.11243	1.9
163.14832	4.6
165.09166	2.2
173.13295	34.2
179.14352	15.2
185.09726	1.3
191.06400	1.4
191.14330	29.3
197.15369	6.1
209.15387	100.0
227.16432	51.9
231.04935	2.2
297.63995	1.3
313.07010	2.3
337.06964	1.6
379.08221	2.6
415.72153	1.5
439.10110	1.7
457.25732	1.6
475.26849	4.5
492.58774	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22467	0.9
53.03939	3.0
55.01866	2.8
55.05505	2.2
56.05037	2.0
57.03424	2.8
57.07057	1.1
59.04990	1.3
61.02927	1.8
67.05500	3.4
68.99792	1.0
69.03442	12.3
69.07055	2.4
69.76402	5.6
70.06583	3.1
71.05003	29.5
72.08154	2.2
73.02910	2.8
78.37293	1.0
79.05505	2.6
81.03431	12.4
81.07076	4.9
83.04993	1.3
83.08609	3.6
84.04498	1.1
84.08141	1.3
85.02914	22.8
85.06558	7.5
86.03201	1.1
86.09715	2.3
87.00848	9.0
87.04459	1.0
87.37071	1.0
91.05518	1.8
93.07042	4.2
95.04961	1.8
95.08631	6.8
97.02887	8.6
97.06546	2.6
99.04467	89.3
99.08083	1.3
104.05370	4.4
105.01858	6.4
105.07036	5.0
107.08609	18.1
109.02894	12.9
109.06510	3.6
109.10177	6.5
113.09644	4.1
116.07100	2.0
117.07024	1.2
119.08569	3.8
121.10153	8.4
123.08083	12.0
123.11711	8.1
125.09652	4.8
127.03927	15.0
127.11207	1.5
129.01857	1.4
131.08575	2.3
133.10143	12.9
135.08026	1.8
135.11732	1.5
137.05966	1.8
137.09718	0.9
139.11148	2.1
141.09094	1.3
142.08646	1.2
145.04990	5.1
145.10139	2.9
147.11711	2.8
149.09644	2.1
149.13261	6.8
151.03870	2.0
151.11163	3.2
153.09103	2.1
158.10921	1.1
159.02946	5.0
163.14841	2.1
165.12817	2.5
167.10687	5.3
169.12221	4.8
169.29240	1.0
173.09390	1.4
173.13309	7.4
182.28265	0.9
183.13826	36.0
191.14317	9.6
209.15393	29.2
227.16449	100.0
229.11893	1.6
231.05061	2.7
251.16339	1.4
475.21579	2.7
475.32596	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	475.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15050	1.2
53.03936	4.0
55.01865	3.0
55.05507	4.0
57.03438	3.4
61.02911	2.5
63.62601	1.1
69.03085	1.4
69.03436	14.4
69.07060	3.8
70.06596	3.6
70.75924	2.7
70.76270	2.2
71.04987	5.1
72.08155	2.1
73.02906	2.4
79.05486	3.3
81.03425	10.0
81.07069	9.1
81.97224	1.3
83.04971	3.9
83.08614	3.7
84.08134	3.9
85.02911	30.2
85.06535	1.6
86.09707	3.2
87.00833	10.0
87.04461	1.8
89.06013	1.8
91.05481	4.9
93.07044	6.8
95.04962	5.5
95.08611	6.6
97.02913	8.5
97.03426	1.6
97.06558	6.6
98.20916	1.9
99.04453	4.8
103.05466	1.6
105.01862	12.5
105.07040	16.0
107.08604	10.1
109.02895	8.9
109.06517	4.7
109.10165	3.5
111.08073	4.4
116.07141	2.2
119.04939	1.9
119.08595	11.2
121.06491	1.7
121.10149	100.0
123.08057	2.2
123.11727	27.4
125.09627	1.6
127.03928	15.0
127.07567	1.3
129.01793	1.4
131.08586	12.4
133.07550	2.0
133.10150	18.2
135.08023	4.5
135.11676	6.6
137.09615	1.6
139.11133	2.9
145.04948	5.6
145.10126	5.2
147.11711	10.8
149.09550	2.4
149.13245	3.7
153.09131	7.0
158.10921	3.8
159.02904	5.0
163.14851	6.3
173.13286	32.9
178.37947	1.3
185.13745	1.5
191.14313	66.5
209.15379	48.1
227.16443	20.4
231.04929	3.5
240.26228	1.2
294.05148	2.2
307.05978	2.1
325.06909	1.8
337.06982	5.1
340.55612	1.3
355.08112	3.1
379.07779	1.7
457.11304	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	475.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96680	1.1
55.01866	1.5
55.05507	2.8
56.85231	1.3
59.05001	16.1
61.02929	1.9
67.05499	3.9
69.07074	59.5
70.85418	1.3
71.04984	1.2
71.52378	1.2
79.05508	6.1
81.07059	2.2
81.11912	1.1
85.06546	19.8
87.04466	4.1
93.03415	1.2
93.07080	2.1
97.06538	11.5
97.10165	1.6
101.09666	4.0
103.10516	1.6
111.04408	2.0
119.08554	1.4
129.09126	25.4
135.04465	1.7
137.05943	1.4
139.99489	1.1
151.03905	4.2
153.01805	1.2
156.39273	1.5
183.02902	13.6
191.07050	3.7
233.04582	1.6
244.03772	1.4
245.04517	1.7
261.04099	2.1
272.03149	2.2
273.03943	2.4
280.43628	1.4
287.05298	2.8
300.02631	2.1
301.03485	6.3
303.04999	1.8
304.05664	2.8
315.05063	4.9
317.06418	2.8
330.03598	1.8
332.05219	26.2
345.06033	23.1
346.06940	2.1
347.07642	100.0
475.16132	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96680	1.1
55.01866	1.5
55.05507	2.8
56.85231	1.3
59.05001	16.1
61.02929	1.9
67.05499	3.9
69.07074	59.5
70.85418	1.3
71.04984	1.2
71.52378	1.2
79.05508	6.1
81.07059	2.2
81.11912	1.1
85.06546	19.8
87.04466	4.1
93.03415	1.2
93.07080	2.1
97.06538	11.5
97.10165	1.6
101.09666	4.0
103.10516	1.6
111.04408	2.0
119.08554	1.4
129.09126	25.4
135.04465	1.7
137.05943	1.4
139.99489	1.1
151.03905	4.2
153.01805	1.2
156.39273	1.5
183.02902	13.6
191.07050	3.7
233.04582	1.6
244.03772	1.4
245.04517	1.7
261.04099	2.1
272.03149	2.2
273.03943	2.4
280.43628	1.4
287.05298	2.8
300.02631	2.1
301.03485	6.3
303.04999	1.8
304.05664	2.8
315.05063	4.9
317.06418	2.8
330.03598	1.8
332.05219	26.2
345.06033	23.1
346.06940	2.1
347.07642	100.0
475.16132	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.8
56.86025	2.2
61.02930	8.7
71.07141	3.4
71.07467	3.6
71.27654	2.5
80.21838	2.7
81.03407	4.1
85.02913	7.5
97.02883	6.0
109.02888	3.2
115.05451	3.3
121.02938	3.0
128.06332	2.8
129.06982	4.4
145.06445	3.7
147.04366	6.2
157.06522	6.0
159.04398	2.6
161.06001	10.1
163.03870	4.2
171.04446	6.3
173.06050	8.3
175.03972	2.6
175.07498	5.1
177.05489	8.8
181.04961	6.7
185.05986	11.0
187.03957	8.6
189.05458	17.6
193.04973	7.5
197.06027	4.5
199.03931	8.9
200.04623	3.0
201.05481	21.8
203.07016	11.8
204.04385	2.3
204.45352	2.6
205.04971	18.0
207.06596	3.2
209.05844	2.8
213.05452	19.7
215.06989	5.1
217.04976	20.7
218.05780	4.8
219.06520	14.5
223.05923	18.6
225.05508	8.6
227.07083	9.3
229.04964	33.7
230.05846	2.9
231.06514	30.0
235.05975	27.3
239.07089	3.2
241.05011	5.5
243.06525	13.2
245.04333	5.7
245.08128	8.9
247.06036	100.0
249.07732	4.4
251.06984	2.6
253.04955	5.3
255.06586	9.5
257.98923	2.6
258.05328	3.2
259.06024	57.3
261.07617	4.8
265.07129	3.8
267.06586	6.1
268.07144	2.7
271.06067	15.7
273.07568	23.6
277.07080	93.3
279.06500	7.6
283.05988	8.3
285.07541	8.7
289.07095	29.5
295.05624	5.0
295.08542	6.1
296.06772	2.8
297.07581	7.5
297.65018	2.4
299.05685	2.6
301.07068	85.8
303.08496	2.8
307.08209	64.2
309.07397	3.6
313.07022	50.3
315.08514	4.0
319.08160	22.9
325.06708	29.2
331.08032	26.4
337.09268	23.1
343.08136	67.2
355.07635	15.1
361.09164	55.0
367.08102	6.7
373.09186	25.5
379.10196	33.1
385.09058	21.2
391.10284	11.6
403.10269	20.6
409.11191	4.1
421.11343	14.8
439.12476	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	475.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	8.4
57.03433	7.1
63.55445	1.7
67.01875	2.7
69.03412	6.0
70.96891	3.6
74.06068	4.2
81.03416	6.5
85.02441	2.1
85.02916	27.7
91.05491	2.7
95.01334	3.3
95.04964	2.9
97.02903	10.2
103.03932	2.9
105.03396	1.8
105.07008	2.0
107.04927	3.9
109.02897	11.5
116.07029	2.4
119.04946	4.8
121.02873	19.1
123.04450	5.5
127.03854	2.2
128.06152	1.8
129.07031	2.4
131.04958	3.7
135.04440	5.5
137.02411	2.0
137.05969	2.7
139.03909	4.5
145.06490	2.5
147.04402	7.1
149.02357	4.3
149.06036	2.7
151.03886	9.9
157.06488	2.9
159.04448	5.7
160.07521	2.1
161.05945	7.2
163.03951	12.0
165.06786	2.3
167.03384	2.8
169.05020	2.1
169.06488	3.6
171.04404	7.3
171.08064	2.3
173.05951	7.2
175.03949	27.3
175.89049	1.9
177.05502	10.9
181.05020	20.6
181.06458	3.0
185.06003	9.1
187.03909	16.0
187.07526	2.9
189.05545	14.3
191.06999	2.7
193.04980	40.3
197.06041	3.8
199.03889	7.1
199.07550	2.8
201.05511	18.0
203.03439	6.6
203.07054	8.8
205.04993	52.1
207.06494	5.4
211.03928	3.9
211.05936	4.1
213.05473	15.1
215.03445	3.0
215.06981	6.6
217.04999	32.2
219.03020	13.7
219.06519	24.3
221.04385	12.9
223.06018	35.5
225.05484	7.6
227.03438	2.5
227.07008	7.8
229.05013	20.5
231.06544	19.2
233.04445	4.8
233.08157	2.4
235.06026	24.4
237.05449	5.0
239.03482	2.8
239.06987	5.5
241.04950	15.2
243.06586	20.4
245.04512	5.2
245.08089	8.3
247.06038	95.2
249.07570	3.5
251.06956	4.0
253.04939	13.0
255.06528	13.4
257.04416	3.5
257.08136	3.5
259.06042	100.0
261.07611	3.6
265.04907	4.7
267.06522	7.1
269.08005	3.9
271.06030	42.5
273.07571	17.5
275.05447	3.8
277.07108	39.2
279.06473	7.3
281.07928	2.2
283.06030	24.0
285.07663	18.3
287.05527	2.3
289.07086	90.0
291.06424	2.6
295.05963	5.8
297.07635	15.2
299.05545	3.7
299.09094	4.8
301.07120	66.6
307.08334	33.0
309.07513	5.3
311.09079	4.8
313.06876	57.9
315.05197	2.0
315.08609	4.5
319.08221	26.6
325.06363	11.7
325.09756	77.1
327.08597	3.5
331.08118	7.0
337.09720	21.8
339.08780	4.4
343.08105	49.0
349.07224	2.8
355.08142	21.1
355.10110	18.9
361.09229	39.5
367.08121	11.7
373.09216	34.8
379.10248	35.5
385.09213	18.7
391.10300	58.3
403.05472	2.9
403.10266	34.5
409.11298	12.0
421.11273	36.4
439.12427	40.2
457.13519	15.5
475.17514	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	475.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.03950	1.2
55.01878	0.4
58.06599	0.6
61.02921	0.3
64.93191	0.3
69.03436	3.0
70.06591	0.5
70.86607	0.8
71.04985	0.5
73.02911	0.4
74.58334	0.3
78.03461	4.3
79.05492	0.5
80.05027	2.3
81.03427	6.5
81.07059	0.7
84.08158	0.5
85.02902	2.8
86.09731	0.6
91.05476	1.7
93.07074	0.4
95.04977	1.2
96.04501	1.5
97.02882	2.1
99.04464	1.1
105.07037	0.6
106.02924	18.2
109.02895	4.0
118.06556	2.4
119.04968	0.4
119.08549	0.4
121.02853	0.4
121.10162	0.5
124.03961	92.5
127.03922	3.1
128.04980	8.8
131.08542	0.4
133.10161	0.5
145.02899	0.6
145.05019	0.6
146.06020	100.0
147.04416	1.5
147.06361	0.6
148.03931	0.6
149.09660	1.0
151.03934	1.8
161.06017	0.4
163.03903	1.7
167.03336	0.4
172.04021	0.5
177.05397	0.3
189.05322	0.3
190.05000	8.2
191.14394	0.4
193.05008	0.6
196.06029	0.4
197.03773	0.3
208.06078	4.3
209.15376	0.9
247.05853	0.4
250.07103	6.7
259.05957	0.4
267.06638	0.8
268.08176	68.9
269.08475	0.5
283.06061	0.7
284.06821	1.3
284.09808	0.3
286.06049	0.6
286.09232	13.0
289.07095	0.4
301.07745	0.3
313.07056	10.3
339.82880	0.3
475.13846	1.3
501.40161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78752	2.0
53.03942	4.4
55.05522	13.1
57.07071	5.4
65.03931	2.6
67.05177	2.5
67.05511	28.7
69.07076	26.6
69.83242	8.5
71.04997	16.1
73.06523	2.6
79.05493	25.6
79.47684	1.8
81.07066	44.9
83.08612	8.7
85.06573	3.9
91.05486	25.1
93.07053	45.0
95.05007	5.0
95.08064	3.2
95.08622	44.9
97.06554	4.4
97.10152	3.9
99.08091	2.8
105.07042	37.7
107.04951	3.3
107.07883	3.1
107.08607	61.3
109.06537	4.4
109.10169	100.0
111.08101	2.5
111.11724	2.6
117.07062	5.9
119.08595	36.4
121.10161	29.8
123.08094	7.4
123.11758	12.6
123.53360	2.3
125.09659	7.6
127.11212	25.4
129.07007	5.3
131.08592	10.2
133.10132	38.3
135.08130	2.8
135.11713	40.9
137.09605	2.1
137.13261	2.1
142.07773	3.3
143.08583	8.6
143.10698	3.8
145.10130	20.3
147.11691	19.4
149.09627	3.8
149.13284	10.2
151.11214	2.5
153.12758	7.6
156.09383	2.7
157.10162	12.3
159.06839	2.1
159.11723	14.9
161.09639	2.2
161.13289	12.8
163.14848	3.4
169.10179	3.9
171.11685	7.1
173.13286	10.4
175.14828	20.3
177.16443	3.6
183.11800	2.6
185.13319	9.4
187.14844	7.8
189.16422	2.7
199.14911	5.7
201.16443	10.5
203.14345	4.3
203.17981	10.7
211.14845	4.1
213.16449	7.5
215.18028	2.5
223.14923	2.8
227.17953	5.9
229.15709	2.2
229.19518	3.1
231.17392	3.5
474.23907	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96295	1.0
56.96571	13.9
57.03446	0.8
69.03421	1.2
69.68333	2.3
69.68744	1.6
70.06603	1.1
70.11098	0.7
70.59736	0.7
71.95256	1.5
73.02951	0.8
84.08153	1.5
84.96026	3.4
85.02919	2.3
86.09718	1.0
97.02879	1.5
97.96831	1.6
98.97593	100.0
109.02879	0.7
109.10004	0.6
110.97585	16.2
112.99153	3.6
116.07202	0.9
116.98637	27.5
124.99162	1.3
127.03949	1.1
128.98627	12.5
129.10254	0.9
131.00165	3.4
133.06116	1.1
134.99681	5.8
135.04422	1.0
137.05995	1.2
140.00246	1.2
140.98616	2.5
143.00204	4.1
146.99677	4.1
147.04428	1.1
149.01173	1.1
152.98643	0.9
158.99672	18.3
161.01208	2.2
163.03911	5.4
170.99683	4.2
177.00722	10.8
177.11627	0.7
179.00294	1.2
180.08801	1.0
189.00742	3.1
193.01788	1.1
193.98889	3.0
195.03433	1.2
197.01163	0.7
201.00761	2.8
208.00453	1.5
209.01212	1.0
211.99953	2.6
213.04272	0.8
214.95406	1.0
219.01788	25.9
220.00459	2.5
223.02795	3.4
226.01526	2.4
227.02373	3.2
230.01044	0.8
232.96611	1.1
235.02821	11.1
237.02792	27.8
238.01413	4.6
241.03877	6.3
251.02248	4.8
253.03860	12.0
253.06500	0.8
255.01688	1.6
255.05865	1.1
256.02661	1.7
259.05008	0.8
260.02029	1.4
263.04514	1.1
265.03876	0.8
269.03363	11.6
271.04947	5.0
272.56827	0.7
277.03873	9.0
279.05374	2.0
280.02850	0.8
281.07065	1.1
282.51743	0.7
287.04422	1.8
295.04922	11.7
311.04471	6.0
312.92184	0.9
312.98767	0.7
313.05920	1.9
337.06049	3.0
355.06815	1.1
367.07129	1.7
397.08145	1.9
399.08530	0.7
415.09164	70.7
433.10236	31.4
456.11740	1.1
475.11371	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	23.1
63.45451	6.9
67.05505	48.4
69.07069	41.4
69.71271	39.6
69.72821	8.0
70.16508	7.1
71.04988	6.8
74.94498	7.1
79.05520	45.0
81.07066	100.0
83.04987	14.6
83.08633	18.8
91.05474	36.7
93.07055	74.9
95.08613	79.4
97.10114	8.4
98.20821	12.3
105.07043	66.1
107.08608	92.9
109.06567	10.0
109.10163	83.2
117.07037	12.0
119.08574	60.6
121.10156	71.2
123.11723	13.0
125.09687	11.1
127.11216	9.3
129.07036	13.4
130.07813	7.0
131.08607	18.4
133.10152	42.4
134.98207	24.0
135.08070	29.0
135.11705	55.9
137.09583	9.7
143.08542	18.9
145.10144	37.5
147.11682	27.8
149.09639	36.0
149.13240	24.8
153.12813	8.3
157.10138	20.1
159.11703	22.3
160.07628	21.6
161.13336	21.4
163.11227	15.0
169.10080	9.5
171.11674	8.2
173.13297	16.7
175.14804	12.4
185.13258	13.3
187.14821	14.2
189.16376	12.1
191.14279	9.9
199.14944	12.2
201.16396	14.2
203.17987	11.2
211.14754	8.4
265.26028	8.9
292.96869	7.8
331.42694	8.1
340.29291	10.9
421.34570	9.7
429.34811	13.2
474.26663	34.8
474.33057	10.4
490.26538	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	474.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.1
55.05509	24.6
57.07081	15.4
67.05510	64.6
69.07081	48.5
69.35274	44.9
69.35699	25.9
71.04991	8.9
73.44454	9.0
79.05496	41.4
81.07054	100.0
83.08630	17.0
91.05481	44.6
93.07056	77.0
95.08633	85.7
97.06537	10.2
105.07027	64.3
107.08608	91.5
109.10166	90.7
109.84290	8.2
111.08125	11.4
119.08623	48.7
121.10181	45.2
123.11713	24.9
125.09635	11.5
127.11214	16.0
127.61393	8.3
130.07759	10.7
131.08545	27.1
133.10110	53.8
134.98209	33.6
135.11700	61.0
136.78806	9.8
143.08592	21.8
145.10173	43.5
147.04466	15.9
147.11694	56.3
148.04773	23.7
149.13257	17.8
157.10126	20.6
159.11659	31.7
161.13312	24.5
163.14806	10.6
170.01086	9.8
171.11731	13.8
175.14856	22.6
185.13258	15.5
187.14851	18.7
189.16470	15.2
199.14764	12.6
201.16380	24.2
215.18007	19.9
283.24030	10.9
336.27463	9.3
340.29453	22.4
474.20386	30.5
474.26715	92.3
474.33298	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.05508	3.0
67.05496	3.0
69.07063	1.5
71.52989	1.1
72.08159	16.9
79.05496	8.3
81.03430	1.5
81.07070	7.8
81.07533	1.1
91.05489	6.2
93.07050	4.7
95.04982	3.7
95.08606	1.9
103.05521	1.2
105.07040	15.7
106.90474	0.8
107.04949	3.7
107.08611	3.0
109.06509	1.2
115.05450	1.4
117.07015	2.7
119.08577	4.1
119.61058	0.8
121.06458	1.1
121.10133	1.2
123.04428	1.4
124.05197	1.1
128.06245	1.9
129.07060	3.9
129.07813	0.7
130.07774	1.2
131.08585	3.3
133.06506	1.2
133.10115	3.4
140.04686	1.5
141.07010	1.6
142.07805	1.6
143.08580	3.6
145.06482	2.0
145.10110	6.5
147.08055	1.5
147.11679	2.5
151.04004	0.9
153.06935	1.5
155.08562	3.3
155.81409	0.7
157.06482	1.9
157.10149	2.0
158.07263	0.8
159.08093	1.9
159.11618	1.6
161.06010	2.1
165.05681	1.0
165.07001	1.8
167.07069	18.2
167.08557	2.0
169.06415	0.8
169.10059	1.3
171.07959	0.8
171.11653	1.4
172.99814	0.8
173.05980	1.3
173.09648	1.6
173.13210	1.6
175.11205	3.4
176.04768	0.8
177.05490	1.0
179.08563	2.9
180.09418	0.9
181.04959	3.4
181.06424	1.8
181.08624	2.2
181.10130	1.9
182.07254	1.9
183.08092	2.2
183.11766	3.5
184.08870	1.0
185.09656	1.2
185.13194	1.4
187.07538	1.5
187.74196	0.8
191.07034	1.8
193.08574	1.2
193.10158	1.7
194.07356	1.0
195.08051	3.6
195.11803	1.0
196.08904	3.3
197.09636	2.7
199.07544	1.1
199.11346	1.3
201.09064	1.2
201.12752	1.6
205.08621	2.8
209.09610	1.8
211.07578	1.5
211.11203	3.3
213.09175	2.4
213.12744	1.6
217.08658	2.0
217.10518	0.8
219.10223	2.5
221.09459	0.9
224.08243	1.3
225.09120	2.7
226.09967	0.9
227.10645	4.0
231.10178	2.9
233.11876	1.1
234.10414	0.8
237.09187	1.9
238.09911	1.0
239.10641	4.7
241.08733	1.3
243.10167	1.8
245.11615	1.4
246.12764	0.9
251.10689	1.1
253.12195	1.1
257.11780	3.4
259.13379	5.4
263.10947	0.9
263.14252	0.9
267.10339	0.7
267.13593	1.2
269.11862	1.8
271.13361	7.2
283.13254	0.8
288.85190	0.8
289.14398	8.8
297.14627	0.9
299.16586	1.4
305.15283	1.4
307.16922	1.3
325.17767	0.9
335.16486	1.5
339.19525	1.5
349.18051	1.0
355.19037	2.5
357.20401	1.5
367.18985	3.0
385.20255	4.7
405.16241	2.0
426.26468	2.7
438.26459	1.2
444.35077	0.9
456.27472	100.0
457.27667	1.4
474.28464	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	474.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98147	1.8
61.01123	2.5
64.00082	1.8
70.80941	4.6
73.04758	7.8
74.09718	3.3
77.00613	49.8
81.07037	2.4
84.96793	1.9
89.06038	13.2
91.05840	8.7
95.01655	85.9
95.08563	1.7
99.02660	2.5
101.04217	2.7
113.02714	2.2
114.07392	1.8
117.03680	3.4
117.07327	3.0
118.03214	13.3
119.01642	2.2
121.03160	8.0
133.08536	2.6
145.06816	29.7
147.04742	30.7
161.09940	4.1
165.05803	3.6
165.09103	2.1
179.35446	1.9
189.09438	100.0
190.09554	1.9
196.40555	1.8
198.71100	1.9
201.27391	1.7
235.09988	4.8
239.09515	7.6
271.73724	1.8
277.14679	67.6
338.58929	2.2
474.34982	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	474.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.05508	3.0
67.05496	3.0
69.07063	1.5
71.52989	1.1
72.08159	16.9
79.05496	8.3
81.03430	1.5
81.07070	7.8
81.07533	1.1
91.05489	6.2
93.07050	4.7
95.04982	3.7
95.08606	1.9
103.05521	1.2
105.07040	15.7
106.90474	0.8
107.04949	3.7
107.08611	3.0
109.06509	1.2
115.05450	1.4
117.07015	2.7
119.08577	4.1
119.61058	0.8
121.06458	1.1
121.10133	1.2
123.04428	1.4
124.05197	1.1
128.06245	1.9
129.07060	3.9
129.07813	0.7
130.07774	1.2
131.08585	3.3
133.06506	1.2
133.10115	3.4
140.04686	1.5
141.07010	1.6
142.07805	1.6
143.08580	3.6
145.06482	2.0
145.10110	6.5
147.08055	1.5
147.11679	2.5
151.04004	0.9
153.06935	1.5
155.08562	3.3
155.81409	0.7
157.06482	1.9
157.10149	2.0
158.07263	0.8
159.08093	1.9
159.11618	1.6
161.06010	2.1
165.05681	1.0
165.07001	1.8
167.07069	18.2
167.08557	2.0
169.06415	0.8
169.10059	1.3
171.07959	0.8
171.11653	1.4
172.99814	0.8
173.05980	1.3
173.09648	1.6
173.13210	1.6
175.11205	3.4
176.04768	0.8
177.05490	1.0
179.08563	2.9
180.09418	0.9
181.04959	3.4
181.06424	1.8
181.08624	2.2
181.10130	1.9
182.07254	1.9
183.08092	2.2
183.11766	3.5
184.08870	1.0
185.09656	1.2
185.13194	1.4
187.07538	1.5
187.74196	0.8
191.07034	1.8
193.08574	1.2
193.10158	1.7
194.07356	1.0
195.08051	3.6
195.11803	1.0
196.08904	3.3
197.09636	2.7
199.07544	1.1
199.11346	1.3
201.09064	1.2
201.12752	1.6
205.08621	2.8
209.09610	1.8
211.07578	1.5
211.11203	3.3
213.09175	2.4
213.12744	1.6
217.08658	2.0
217.10518	0.8
219.10223	2.5
221.09459	0.9
224.08243	1.3
225.09120	2.7
226.09967	0.9
227.10645	4.0
231.10178	2.9
233.11876	1.1
234.10414	0.8
237.09187	1.9
238.09911	1.0
239.10641	4.7
241.08733	1.3
243.10167	1.8
245.11615	1.4
246.12764	0.9
251.10689	1.1
253.12195	1.1
257.11780	3.4
259.13379	5.4
263.10947	0.9
263.14252	0.9
267.10339	0.7
267.13593	1.2
269.11862	1.8
271.13361	7.2
283.13254	0.8
288.85190	0.8
289.14398	8.8
297.14627	0.9
299.16586	1.4
305.15283	1.4
307.16922	1.3
325.17767	0.9
335.16486	1.5
339.19525	1.5
349.18051	1.0
355.19037	2.5
357.20401	1.5
367.18985	3.0
385.20255	4.7
405.16241	2.0
426.26468	2.7
438.26459	1.2
444.35077	0.9
456.27472	100.0
457.27667	1.4
474.28464	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	474.249
Annotation	Unknow
Peak:m/z	Relative Intensity
68.96275	3.7
71.52623	4.5
79.05525	4.4
81.03413	9.6
90.92939	3.9
91.05477	5.4
103.82104	4.1
115.05465	6.4
128.06148	4.8
129.07037	10.2
129.27689	3.9
131.04974	7.5
133.97636	4.1
136.05199	7.0
137.05986	98.7
143.04906	8.3
151.07550	95.3
151.08572	2.6
157.06500	10.3
158.07278	11.7
160.05222	12.7
173.05920	6.4
174.06801	30.4
175.07561	76.2
177.09088	5.5
187.07547	33.7
189.09109	100.0
201.09111	36.4
203.10654	8.7
205.08641	16.4
217.08627	7.3
219.10164	22.7
231.10269	11.1
235.09715	7.0
249.11189	12.9
269.08115	9.4
284.10449	18.3
285.11304	14.8
291.89767	4.6
305.11703	12.5
306.12540	7.7
325.14407	7.7
337.14233	26.1
355.15417	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
55.01859	1.7
55.05502	0.6
57.03429	1.2
57.07079	37.9
61.02927	0.8
69.03429	10.8
69.41885	1.8
69.42307	3.3
70.06570	1.2
71.04975	1.8
72.08115	0.7
72.72648	0.6
75.10957	0.6
79.05497	5.7
80.05029	1.0
81.03423	15.9
81.07074	0.8
83.04955	0.7
84.90023	0.6
85.02905	8.8
85.06543	6.3
87.04470	0.7
91.05468	2.6
95.04940	0.9
95.08584	0.7
97.02892	13.8
97.06543	0.8
98.20796	1.2
99.04452	2.2
103.05460	5.5
103.07567	2.6
105.07036	47.0
107.04958	0.7
108.04471	11.2
109.02876	10.0
111.12820	0.6
115.05463	8.7
118.04166	3.6
118.06586	0.7
119.04929	1.0
119.08562	1.0
124.68138	0.7
125.09616	1.0
126.05550	3.0
127.03924	11.5
131.04892	1.8
132.05716	0.6
133.06497	45.1
143.05032	1.0
143.06046	3.6
144.05675	0.6
145.04971	5.0
145.10077	0.9
161.05986	100.0
165.07121	0.6
173.13255	1.8
191.14369	3.0
193.08615	73.6
205.08621	0.9
209.15384	4.7
211.09685	2.8
229.10736	19.7
246.13445	2.2
247.11795	6.9
259.09738	0.6
266.02353	0.6
271.09277	0.6
474.16617	2.6
474.23871	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
56.05027	0.3
57.03431	0.2
58.40822	0.1
59.52878	0.1
61.02919	0.2
69.03410	0.4
70.06567	0.3
71.01348	0.1
71.06116	0.3
71.52679	0.2
73.02908	0.3
74.06080	0.9
81.03410	0.2
82.04065	0.2
84.08140	0.2
85.02924	1.0
97.02907	0.6
109.02856	0.2
110.03535	3.3
111.05571	0.3
115.03908	0.2
116.07077	0.4
127.03951	0.2
128.04576	0.2
132.04469	1.9
133.04991	0.3
134.06026	0.4
135.03036	0.8
135.04465	0.2
137.04683	0.2
137.08252	1.7
144.06560	0.5
151.06163	0.6
153.04092	1.3
162.07782	0.7
163.03943	0.2
165.06479	0.4
180.08813	100.0
181.04948	0.2
181.09128	0.4
189.05632	0.2
194.06715	0.3
195.01057	0.2
217.05052	0.2
234.98563	0.2
242.09201	0.2
257.10309	0.5
259.05939	0.2
259.11978	0.9
277.07211	0.2
284.11465	0.5
294.01236	0.3
294.09827	0.4
302.12451	1.1
312.02234	0.5
312.10849	0.3
327.11972	0.2
345.13086	8.0
435.72144	0.2
456.14566	0.2
474.17993	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	474.1608
Annotation	Proteacin
Peak:m/z	Relative Intensity
53.03898	0.7
55.01837	2.1
56.04998	0.8
57.03397	1.6
58.06576	0.9
61.02879	2.5
62.20528	0.6
67.14837	0.6
69.03440	6.6
69.67037	3.4
70.06547	2.6
71.04964	0.7
72.08134	0.7
73.02891	1.2
74.06075	4.8
81.03383	2.6
82.06547	1.5
83.01235	0.6
84.08095	2.5
85.02904	10.4
86.06018	0.6
86.09677	1.4
87.04417	1.3
88.03999	4.5
91.03928	0.7
97.02883	4.9
98.05991	1.0
99.04424	1.1
103.05434	0.7
107.04906	1.7
109.02839	1.3
116.07092	2.9
120.06580	1.0
120.08118	3.0
121.02888	3.9
123.04381	1.7
124.07482	1.0
127.03957	3.0
128.07079	5.4
135.04352	0.8
139.03864	0.8
144.06516	2.7
145.04977	1.3
145.06459	0.6
147.04398	0.8
151.03874	3.2
152.63481	0.7
161.05968	5.8
163.03906	9.5
163.07550	4.7
165.05472	5.0
166.08604	2.3
167.07028	0.6
173.05922	1.3
175.03903	5.3
177.05466	1.0
178.08665	1.1
179.03398	1.4
179.07010	0.9
180.08807	7.4
189.05479	6.1
191.03369	0.8
191.07059	4.2
191.19681	0.7
193.05034	0.9
195.01155	6.0
197.01204	0.8
197.04478	0.7
202.08598	1.6
204.10240	2.0
205.04988	0.7
207.06593	1.8
215.23268	0.5
217.04948	6.3
219.06450	1.0
220.09688	18.4
222.11301	1.4
235.06041	6.4
245.04472	1.5
247.05965	0.9
248.06563	0.7
248.09186	13.8
249.51274	0.6
263.05539	2.0
266.10242	42.0
270.09805	0.8
281.06830	1.0
294.09708	30.8
302.12451	1.1
312.10770	100.0
313.11346	0.7
345.13058	5.0
377.06183	1.1
430.23523	0.7
456.14990	2.0
474.16141	27.3
474.21658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	7.1
57.03440	1.8
58.74510	1.0
69.03431	2.0
70.06580	2.5
71.48998	2.0
72.08153	1.6
74.06083	100.0
81.03432	2.6
84.04510	3.1
84.08150	1.9
84.20190	1.0
85.02917	1.6
97.02894	3.9
98.06051	9.0
102.05547	5.1
109.02869	6.3
116.07100	47.9
120.06591	19.0
140.24127	1.1
144.06569	58.8
145.04993	2.2
162.07608	8.7
162.08789	1.2
228.08736	3.0
240.08687	1.4
246.09752	2.8
270.09772	15.0
288.10690	8.4
306.11850	2.9
312.12180	1.3
319.63391	1.0
365.24838	1.1
474.17691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1738
Annotation	Raloxifene
Peak:m/z	Relative Intensity
53.99336	0.3
69.43577	2.1
70.06573	0.4
73.29619	0.2
74.06053	0.6
83.06077	0.5
85.02855	0.3
98.97568	0.3
104.04945	0.6
105.03366	0.9
105.05733	0.6
106.06517	0.6
110.97498	0.3
111.05572	3.9
120.04494	2.5
122.74625	0.3
123.05551	0.5
125.05828	0.5
126.06654	2.6
127.03897	0.3
132.04466	21.7
134.06018	4.6
137.04713	1.5
141.05476	1.6
142.05779	0.3
151.06155	8.6
152.04539	0.3
158.93771	0.3
163.04004	0.3
166.07286	0.5
174.07883	0.4
177.04100	0.5
180.08809	0.5
194.06754	4.5
195.07520	1.1
202.09761	2.0
213.57631	0.3
214.09587	0.5
216.11304	0.7
219.01685	0.4
230.09225	1.8
232.10780	0.8
242.09280	4.5
247.06047	0.4
255.08846	0.5
257.10373	4.5
258.08694	0.5
259.11923	9.8
260.12405	0.3
284.11426	7.0
301.07108	0.5
302.12500	12.2
303.12946	0.4
312.10901	0.3
322.58179	0.4
327.11981	4.8
345.13086	100.0
346.13318	1.3
370.49661	0.3
379.10339	0.4
428.16550	0.4
456.16431	1.4
474.17368	19.2
475.17438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.6
53.03933	5.1
55.05498	5.7
58.51499	1.4
65.03931	1.5
66.83300	1.4
67.05493	6.2
69.07071	15.5
69.67420	5.5
69.67829	2.4
71.09130	1.2
79.05504	10.2
81.07051	7.3
91.05485	13.9
93.07050	35.8
95.08604	4.3
103.05455	1.6
105.04494	2.0
105.07063	7.8
107.08593	24.6
109.06518	1.6
109.10150	9.8
111.11706	1.4
115.05433	2.0
119.04962	2.9
119.08607	3.1
121.10120	4.1
128.06184	2.0
129.06981	4.7
131.04932	2.5
131.08560	2.7
133.10098	2.3
135.04416	100.0
135.10709	2.3
135.11700	36.1
135.68207	1.4
137.05966	10.0
141.06969	1.7
143.08524	3.2
144.61888	1.3
145.06529	3.4
149.05966	5.6
151.07561	2.2
157.06482	3.2
158.07298	2.0
159.08063	2.5
161.05966	6.8
163.03854	1.5
165.06967	1.8
167.08716	1.6
170.07246	2.5
171.08072	2.5
172.05220	2.4
173.06027	11.7
174.06764	2.2
175.03920	5.6
175.07526	4.3
179.08501	1.6
181.10185	1.9
183.08064	1.8
185.05974	7.1
186.06712	2.6
187.07536	14.0
189.09123	2.9
191.10602	1.5
193.10143	2.2
195.08080	1.9
199.07549	6.6
201.09035	6.7
202.07741	2.1
203.08583	3.4
203.10457	1.4
206.07492	2.0
211.07542	4.8
213.09103	7.8
215.06851	2.1
215.08723	3.5
215.10625	3.4
217.08533	2.8
217.10394	2.0
217.12177	2.1
218.07257	4.0
219.08003	2.8
220.08788	1.7
221.09612	3.0
223.07507	2.9
224.08357	2.4
225.09164	1.9
227.10524	1.7
228.38922	1.4
231.08028	4.6
232.08971	2.6
233.09618	4.8
234.06734	1.8
235.07440	3.3
235.11273	2.4
236.08304	1.6
237.09094	2.2
238.06247	2.4
239.07104	4.0
239.10724	4.7
241.12228	2.2
243.08014	2.0
245.09598	1.7
246.06873	1.5
247.07545	4.3
247.11217	2.0
248.08221	3.7
249.09148	4.3
250.06285	2.0
251.10672	3.5
253.08371	2.9
253.12263	3.1
259.07486	2.8
260.08420	3.3
261.09140	5.2
262.06274	2.1
263.07068	2.3
263.10629	9.0
265.08640	1.5
265.12183	4.6
266.05545	1.9
267.06558	3.2
269.15457	1.7
271.07611	2.7
271.16864	7.2
272.08334	2.6
273.09122	3.6
275.07199	3.0
275.10583	2.1
276.07935	6.8
277.08447	3.0
278.13037	2.2
279.13770	1.5
281.08115	2.9
285.08847	1.8
286.09961	1.7
287.07294	1.6
287.10495	3.1
288.07910	2.2
289.08643	7.0
289.11932	1.5
290.09384	2.3
291.10202	3.6
293.07944	5.0
293.11569	2.7
295.16788	2.1
299.07263	1.4
299.16367	2.2
300.07870	1.8
301.08609	2.5
302.09506	3.1
303.06497	2.0
303.10117	3.7
304.07202	2.9
305.08200	3.8
306.08850	3.6
306.16153	3.8
307.09653	6.0
309.11649	1.5
311.10657	2.4
313.08597	2.3
314.09268	1.8
315.10275	2.8
318.08786	3.7
319.09583	13.0
321.11151	9.0
321.18506	26.3
327.10098	4.4
328.10947	2.5
329.08179	2.2
329.11716	3.3
330.08670	2.2
333.11371	6.8
334.12106	1.8
340.10922	1.7
341.11816	2.7
344.10400	2.4
345.11224	8.9
347.12814	2.6
351.19531	30.6
357.11081	3.1
357.15082	2.1
359.12711	3.7
361.14450	2.5
363.12198	2.0
367.13528	1.9
373.14041	2.4
386.56683	1.5
387.15717	3.7
391.15436	2.6
399.15790	2.8
402.18277	19.0
403.19141	14.3
415.19052	5.6
443.22308	3.7
455.22177	32.9
473.23126	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	473.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01878	4.9
55.05516	13.0
57.03438	2.6
61.02928	4.1
62.02875	1.2
65.03954	1.0
67.05513	7.5
68.99790	3.7
69.03432	18.8
69.03782	2.2
69.07062	6.8
70.06588	4.3
70.50115	1.6
70.50455	2.2
71.04992	17.8
73.02903	2.5
73.36212	1.2
76.49225	1.1
79.05495	9.8
81.03427	15.4
81.07059	14.2
83.04980	6.1
83.08629	20.4
84.08163	1.7
85.02911	32.1
85.06519	1.7
87.00842	9.9
87.04453	2.4
91.05479	9.3
91.56084	0.9
93.07049	7.9
95.04973	30.8
95.08620	13.6
97.02905	11.1
97.06524	11.0
97.10182	1.6
98.20825	1.1
99.04462	52.8
99.08082	1.7
100.77718	1.1
105.01872	4.4
105.07044	9.6
107.04957	3.1
107.08602	52.9
109.02888	15.8
109.06522	19.7
109.10156	8.6
111.04444	10.5
111.08069	4.1
111.11720	1.3
113.06000	6.0
113.09678	2.8
115.03949	1.5
117.07066	2.5
118.65788	1.1
119.04978	1.4
119.08601	8.5
121.06498	4.5
121.10160	11.1
123.04424	4.4
123.07207	1.8
123.08076	31.6
123.11714	10.4
125.06007	1.8
125.09639	29.5
125.10551	1.5
127.03921	21.9
127.11256	1.4
128.06207	1.4
129.01883	4.9
129.07004	2.8
131.04921	1.5
131.08536	6.1
133.06459	2.2
133.10118	5.7
135.04388	2.8
135.08025	7.8
135.11702	3.5
137.05966	7.0
137.09630	18.2
137.13257	3.0
139.03903	1.6
139.07559	2.2
139.11206	1.5
141.05460	1.1
141.12788	1.3
143.08513	2.3
145.04958	4.6
145.06438	2.4
145.10135	4.6
145.45006	1.1
147.02907	2.5
147.04388	2.2
147.08031	4.9
147.11673	7.6
149.05998	1.4
149.09628	15.7
149.13260	3.2
151.07565	4.2
151.11159	2.3
151.15021	1.2
153.09151	2.4
155.10619	3.1
157.10135	1.8
159.02864	2.2
159.08067	3.0
159.11664	2.3
161.06088	1.2
161.09590	4.7
161.13231	1.4
163.03929	3.2
163.07506	2.0
163.11171	3.3
163.14726	1.4
165.05444	1.6
165.09143	16.8
165.12770	10.8
167.06999	1.1
167.10695	24.8
167.14333	2.1
169.10121	1.8
171.08087	1.2
171.11748	1.2
173.06013	1.3
173.09634	3.9
173.13235	2.0
175.07484	1.4
175.11234	2.0
177.09128	2.3
177.12741	2.6
179.07072	1.7
179.10692	4.7
181.12242	1.9
183.13826	20.1
185.09723	1.1
185.13188	1.2
187.06119	2.1
187.07693	1.3
187.11249	2.9
189.09119	3.7
189.12718	5.2
191.07033	2.6
191.10641	10.9
195.11856	1.0
195.13860	5.3
198.89732	1.1
201.12738	2.0
203.10794	1.8
205.12294	1.6
207.13812	8.4
213.03893	1.5
213.12732	1.2
215.05344	1.6
215.10672	3.5
219.13844	4.1
221.11713	2.2
223.13268	5.4
225.14874	100.0
226.15230	1.4
229.12178	1.8
231.05040	2.4
231.10136	2.0
231.13838	3.1
233.11758	2.3
235.13197	6.0
237.14857	24.7
249.14864	29.8
261.14886	7.3
261.17255	1.1
267.15915	5.7
273.14786	2.3
275.12808	1.6
279.15915	2.0
291.15958	7.9
297.14999	1.1
306.21130	1.1
315.15814	3.3
333.16946	4.4
346.41095	1.2
353.12445	1.7
375.11774	2.6
377.15820	1.3
397.14871	1.6
419.17075	1.7
437.18234	9.0
455.13498	2.3
455.19156	6.0
473.14185	21.2
473.19943	1.6
473.25519	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	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50629	2.0
53.03941	9.1
55.01868	8.4
55.05510	5.7
57.03430	8.1
59.31211	2.0
61.02924	7.4
64.13663	2.4
67.05513	5.4
68.99791	5.2
69.03089	2.6
69.03435	29.3
69.07075	5.1
70.06585	8.4
70.68976	6.8
71.05002	8.9
72.08131	3.1
73.02913	10.5
74.06091	2.4
77.24638	2.2
79.05495	5.0
81.03426	32.5
81.07066	6.3
83.04990	6.2
83.08636	3.2
84.08151	2.7
85.02916	75.9
86.09732	2.4
87.00845	33.4
91.03927	2.8
91.05493	7.6
93.07040	11.8
95.04993	2.9
95.08620	16.7
97.02902	24.8
97.06526	3.9
99.04482	13.1
99.08096	4.1
105.01870	21.6
105.07047	11.1
107.08604	14.2
109.02902	31.4
109.06496	11.1
109.10168	12.2
117.01830	5.1
119.08598	15.9
121.06528	2.9
121.10169	28.4
123.08097	14.6
123.11696	4.5
125.06023	4.0
125.09656	4.0
127.03931	57.4
131.08601	4.8
132.95866	3.1
133.10139	5.9
135.08061	9.3
135.11723	9.1
137.09641	30.4
137.13351	5.4
145.04956	23.2
145.10143	6.8
147.08041	5.0
147.11670	9.0
149.09633	49.2
151.07558	18.7
151.11192	2.7
153.09158	7.9
156.09296	3.1
159.02937	19.4
161.13269	17.1
163.06084	2.1
163.11209	19.3
165.09132	85.8
165.12761	16.5
167.10686	12.4
171.11725	6.0
179.14317	14.3
181.12416	2.5
189.12781	39.7
207.13835	100.0
213.04097	2.7
225.12602	2.8
225.14862	58.4
225.16905	3.3
231.05006	8.4
267.06744	3.8
389.06583	2.7
473.14587	4.1
473.21472	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	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.8
55.01871	5.9
55.05507	3.9
57.03432	4.2
59.04990	1.6
61.02920	3.2
67.05503	4.2
68.65107	1.2
68.99794	1.4
69.03440	20.3
69.07056	2.7
70.06592	3.4
70.69125	2.3
71.04994	6.8
72.08167	7.0
73.02914	4.8
78.10786	1.2
79.05515	6.2
81.03423	19.5
81.07070	7.1
81.07471	1.1
81.76108	1.2
83.04982	3.9
84.04523	2.6
84.08146	1.4
85.02910	36.1
85.06580	1.4
86.09708	10.5
87.00843	15.6
89.86832	1.2
91.03973	1.5
91.05499	9.7
93.07050	18.9
95.04987	4.0
95.08603	6.1
97.02900	12.3
97.06509	3.0
97.31187	1.2
99.04460	15.1
105.01872	11.7
105.07040	47.6
107.04868	1.7
107.08595	5.9
109.02892	15.5
109.06524	9.1
109.10169	5.6
115.07563	3.8
117.01868	3.4
117.07034	3.4
119.04952	1.8
119.08594	72.2
121.10152	40.0
123.08081	3.6
123.11669	1.5
125.06041	1.3
127.03928	28.4
129.01822	2.2
129.07036	1.6
131.08562	11.5
132.10300	1.9
133.06465	1.5
133.10120	8.3
135.11714	5.2
137.05986	2.8
137.09605	6.8
137.13196	1.3
141.32802	1.4
142.07919	1.4
143.08574	6.0
145.04991	9.8
145.10138	35.3
147.08043	2.7
147.11690	19.6
149.09631	33.9
156.09357	6.3
159.02921	11.9
159.11714	2.7
161.09671	1.5
161.13263	55.1
163.11183	4.7
165.09184	2.2
165.12729	6.1
167.10657	2.1
171.11693	13.2
174.10365	2.2
179.14337	13.4
181.12286	2.4
185.16602	1.4
189.12756	34.0
189.14450	1.9
207.13818	100.0
208.14194	1.4
213.16013	3.0
225.14865	54.4
231.05031	3.7
243.13475	4.1
248.13727	1.7
261.14423	1.9
329.01520	1.2
448.31427	1.6
455.34097	1.5
473.14270	2.7
473.21036	2.7
480.84070	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01870	1.7
55.05506	1.3
56.05028	0.7
57.03423	2.1
61.02911	1.1
67.05511	4.8
69.03085	0.9
69.03433	10.8
69.07063	2.1
70.06605	8.6
70.85295	2.3
71.04977	3.2
72.08144	2.7
73.02930	0.9
77.80192	0.7
79.05489	3.5
81.03420	7.2
81.07064	7.2
82.40055	0.6
83.05004	1.2
83.08616	1.2
84.04487	1.4
84.08130	3.2
85.02911	33.6
86.09725	6.5
87.00832	8.9
91.05473	2.7
93.07058	4.4
95.04983	1.5
95.08613	2.9
97.02898	8.9
97.06515	2.4
99.04457	10.2
105.01875	8.6
105.07030	6.8
106.20535	0.7
107.08587	3.2
109.02885	7.5
109.06532	3.5
109.10159	24.0
111.04424	1.0
111.08110	0.8
115.05508	0.9
115.08691	0.8
119.08589	7.8
120.08128	1.1
121.10164	5.9
123.08068	2.1
123.11717	9.2
125.06001	78.6
125.80330	0.7
127.03915	14.6
129.10258	1.3
131.08455	1.6
133.10139	2.3
135.08145	0.7
137.05994	3.6
137.09608	3.3
139.07550	19.9
145.04935	5.4
145.10129	3.6
147.07927	1.0
147.11655	3.6
149.09654	6.6
151.07570	4.6
151.11227	1.0
153.16649	0.8
156.09370	1.0
159.02904	3.0
161.13249	7.3
163.11136	1.3
165.09064	1.3
165.12776	2.3
167.07077	1.1
167.10783	0.9
169.08626	3.1
171.11673	1.6
177.05428	1.0
179.14317	2.6
182.00922	0.8
189.12769	7.3
199.91209	0.7
207.13817	57.5
213.16158	0.9
225.14867	100.0
226.15181	1.0
231.05006	4.4
243.13467	1.1
267.15906	0.9
311.14636	3.3
441.17319	1.3
455.19464	1.9
473.14041	4.1
473.20126	18.6
473.35559	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.2
55.05500	13.8
57.07074	5.7
61.78050	3.1
62.69676	3.1
67.05241	2.7
67.05511	29.4
69.03438	20.0
69.07067	23.5
71.04979	13.8
79.05499	33.8
81.07063	60.6
83.04986	5.1
83.08609	11.4
85.06550	4.3
87.04465	4.5
91.05489	30.4
93.07048	48.7
95.04952	7.3
95.08612	53.6
97.06522	13.3
97.10176	3.2
101.18295	3.0
105.07030	54.1
107.08595	100.0
109.06508	17.8
109.10158	95.8
111.08076	7.0
117.07019	6.2
119.08586	39.3
121.06506	4.3
121.10164	25.4
123.08038	12.0
123.11701	10.1
125.09644	49.3
127.02029	3.6
127.11201	33.0
129.06995	6.5
131.08604	27.9
133.10136	41.2
135.08101	4.1
135.11693	32.2
137.09654	5.3
137.13214	5.4
143.08546	15.3
145.10138	33.2
147.11671	25.6
149.09573	3.5
149.13263	11.0
151.11160	11.1
153.12737	4.4
155.08594	4.9
157.10110	12.3
158.10773	3.2
159.11732	21.8
161.13278	15.3
163.14809	7.3
169.10063	6.6
171.11697	12.2
173.13243	12.3
175.14809	18.2
179.14233	3.6
185.13229	11.1
187.14859	5.5
197.13269	5.6
199.14915	6.8
201.16373	12.9
203.14284	5.7
203.17984	10.3
209.13324	6.5
213.16272	7.9
217.15788	4.4
225.16379	3.8
351.26617	4.0
383.45160	3.6
419.33224	5.1
428.80997	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	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69843	3.2
53.03959	6.3
55.01864	4.5
57.03445	3.2
57.29541	3.6
61.02921	5.2
67.05488	5.4
68.04996	3.0
69.03438	24.1
69.07062	5.1
70.06612	16.8
70.46855	10.8
71.04987	7.8
72.08153	13.6
73.02901	4.2
74.06104	4.8
79.05477	11.3
81.03424	35.8
81.07058	7.8
84.08161	16.0
85.02444	3.4
85.02912	41.4
86.09697	13.8
87.00822	15.0
91.05498	16.9
93.07049	13.7
95.08620	5.5
97.02924	17.5
99.04449	13.9
105.01866	7.6
105.07041	35.2
107.08591	22.7
109.02879	13.6
109.10138	7.5
111.08057	3.7
117.07012	6.3
119.04958	7.8
119.08595	30.3
120.08132	24.3
121.10151	38.1
123.08077	4.0
123.11669	4.0
127.03929	29.8
128.06219	4.4
129.06982	7.7
129.10237	4.5
131.08565	53.1
133.10132	11.4
135.08095	4.9
135.11713	7.1
136.07600	7.9
137.05981	11.3
137.09644	6.4
139.11195	4.7
141.06975	4.7
143.08562	14.4
145.02821	4.2
145.04982	9.9
145.10141	29.0
147.08009	9.4
147.11713	30.8
149.09624	41.2
151.07532	3.9
156.09358	38.1
159.02899	7.1
159.11737	17.7
160.07616	5.1
161.13263	14.0
163.11203	37.9
171.11711	78.2
173.04434	9.8
177.05469	6.8
178.04991	8.1
181.12263	44.9
189.09105	4.9
189.12753	81.6
206.04506	10.0
207.13817	100.0
225.14841	16.5
231.04921	4.6
281.57999	3.8
295.06128	5.1
298.40729	3.2
364.72675	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	472.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	21.3
60.97496	6.7
62.79207	7.0
67.05514	68.6
69.03425	27.8
69.07066	31.4
70.98457	13.9
70.98793	9.7
71.04988	13.9
79.05505	46.5
81.07066	84.8
83.08630	21.7
87.04475	15.8
91.05482	50.0
93.07050	70.3
95.04978	20.0
95.08620	92.7
97.06547	17.3
105.07040	63.0
107.08594	97.4
109.06517	15.6
109.10167	100.0
111.08114	8.0
117.07020	12.6
119.08611	57.7
121.06522	6.9
121.10156	53.8
123.08094	20.7
123.11713	27.0
125.09666	20.7
129.06958	9.1
131.08594	26.0
133.10118	59.9
135.11725	56.9
137.09589	46.7
143.08575	20.9
145.10110	45.3
147.11693	51.1
149.09631	12.0
149.13301	21.2
153.12692	11.7
155.08626	10.6
157.10158	15.5
159.11726	27.1
161.09738	11.1
161.13309	21.7
163.11206	12.7
169.10139	9.6
171.11684	22.3
173.13287	20.7
175.10988	7.6
175.14807	11.2
177.16472	14.2
183.11720	10.9
185.13290	18.2
187.14798	16.8
189.16382	14.0
197.13301	7.5
199.14894	18.1
201.16409	21.0
203.17892	8.7
211.14799	15.6
213.16374	8.7
267.21097	21.0
419.32938	9.3
437.34271	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	472.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.4
55.01872	7.0
55.05518	9.4
56.05031	2.6
65.03941	4.8
66.79062	0.9
67.05510	11.7
69.03416	2.4
69.07080	2.6
69.49246	7.4
70.06589	2.3
71.01353	3.5
71.07385	5.2
72.08163	59.8
77.32665	1.2
78.04724	1.2
79.05499	38.0
80.06282	3.4
81.03429	2.3
81.07063	37.4
82.21792	1.2
91.05492	28.1
93.03425	5.8
93.07051	17.4
95.04965	6.0
95.08644	2.4
103.05466	3.8
105.07038	12.4
107.04968	6.5
107.08625	7.5
108.05741	5.5
109.06522	19.9
110.06026	1.3
111.04443	1.3
113.08440	1.8
115.05459	3.5
117.07014	8.8
119.04939	8.2
119.08569	3.8
121.06519	6.0
123.04454	1.9
124.07649	1.5
128.06281	1.7
129.07010	4.2
131.04930	3.2
131.08569	7.2
133.06505	2.5
133.10173	2.2
134.98198	7.4
137.05988	24.1
139.09912	1.7
140.10774	1.7
141.06992	1.3
142.07788	1.4
143.08548	2.0
144.05742	2.9
145.06511	6.1
145.10124	7.1
146.63559	1.0
147.11685	6.9
149.05991	9.0
150.09174	4.7
152.10710	1.3
153.05574	1.6
153.06993	2.0
155.07053	3.5
155.08575	6.2
155.58276	1.1
156.05740	1.2
157.06453	2.6
157.10133	2.3
158.07335	1.7
159.08067	2.3
161.06010	1.8
164.10658	2.1
165.07004	3.5
167.07080	18.8
167.08479	1.8
168.05630	1.1
172.26736	1.1
173.06052	3.4
173.09637	2.6
176.04678	1.4
176.10674	1.3
179.08588	2.6
179.13066	9.1
181.06493	2.0
181.08659	6.0
182.07312	1.9
183.08122	4.1
187.07571	2.9
187.11220	2.2
190.12315	2.7
191.07027	11.7
191.08528	1.7
192.07777	1.5
193.08624	4.7
193.10207	2.1
194.07304	2.7
195.08083	4.6
196.08868	2.5
197.09631	2.1
199.07695	1.3
205.08577	2.7
207.08121	1.8
208.13347	100.0
209.08125	3.8
209.09772	1.9
211.07506	2.4
211.11281	2.4
215.10680	3.5
217.08629	5.8
219.10109	1.9
221.09729	1.5
223.07561	2.1
223.11201	1.6
225.09106	4.2
226.14424	18.3
230.15497	2.7
231.10172	1.9
237.09167	1.7
239.10745	2.6
241.08562	2.7
242.09378	1.3
243.10185	3.6
244.16998	3.7
245.11693	2.2
245.17805	4.8
246.18582	13.4
247.13272	11.6
251.10593	1.4
255.10214	3.3
257.11798	3.8
261.08957	1.1
264.19513	1.5
265.12286	3.7
269.11761	2.4
271.13287	2.6
272.14063	2.4
277.12222	1.1
279.13800	1.9
281.11603	2.1
283.13419	3.1
297.11554	2.1
297.14856	8.5
305.15427	2.1
307.13763	1.2
323.12900	2.4
323.16537	3.5
337.17941	3.6
338.27814	2.7
339.15836	2.2
365.17386	4.7
368.18707	1.2
383.18497	1.6
404.22495	1.5
410.23181	3.7
436.24811	16.3
454.25943	38.0
472.25232	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	472.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.01865	1.8
55.05516	9.0
64.17774	1.7
67.05514	12.5
67.63596	1.7
69.07064	1.9
70.06613	2.2
70.32792	6.2
71.07388	4.0
72.08161	54.6
75.39697	2.1
79.05067	3.2
79.05498	39.0
81.03421	5.2
81.07073	16.2
83.04932	1.9
87.04446	2.5
91.05493	32.8
93.07053	14.9
95.04988	9.8
95.08607	2.8
100.07614	1.9
103.05453	5.6
105.07035	21.6
107.04961	10.2
107.08589	13.0
109.06528	5.2
115.05460	4.8
117.07040	10.7
118.04168	2.6
119.08582	7.5
121.06551	8.6
124.05197	1.9
126.09179	4.0
128.06107	3.8
129.07039	9.2
131.04938	6.8
131.08586	38.2
133.06483	8.5
133.10149	3.6
134.98186	8.2
137.05972	2.5
139.09958	4.4
140.10675	3.7
141.06976	3.7
142.07762	2.8
143.08586	4.0
144.05688	5.3
145.06508	7.3
145.10115	3.6
147.11691	7.2
149.05980	6.9
150.09137	1.9
152.06223	4.0
153.07031	22.1
154.06248	2.1
155.05942	2.1
155.07103	2.7
155.08507	6.5
156.05702	4.7
157.06535	9.6
157.10167	3.9
159.08089	7.1
161.05980	7.8
164.10686	2.3
165.06970	3.8
167.07088	44.2
167.08566	6.5
170.07272	6.8
171.07927	1.9
172.95279	1.9
173.06033	9.7
174.06778	3.3
176.04707	3.0
177.05466	2.7
178.07770	2.6
179.08527	3.6
179.13045	3.8
181.04958	33.5
181.06505	13.3
181.08571	4.6
181.10075	2.6
182.07137	2.2
183.08080	6.6
185.09634	14.2
187.07559	5.9
189.05466	2.3
189.09045	3.7
191.07051	24.7
191.08597	4.1
193.08650	14.0
195.08067	4.5
197.09601	3.6
198.06749	4.4
199.07565	4.2
202.06221	4.7
203.08626	2.3
205.08560	6.9
208.13464	5.1
209.08066	3.9
211.07527	4.3
213.09108	16.4
214.09953	2.4
215.07011	2.5
217.08661	16.1
219.10052	2.9
221.09622	4.7
225.09111	3.9
229.08629	2.3
230.09453	4.6
230.15408	3.6
231.10223	5.3
235.11154	3.8
239.06900	2.0
239.10738	3.5
243.10095	3.6
245.09431	3.8
245.11751	38.9
245.17656	2.2
246.18517	12.6
251.10693	2.5
253.09616	1.6
253.12186	10.7
256.11063	2.2
257.11761	3.8
263.10611	5.2
265.12299	2.4
269.11804	2.8
271.13324	7.8
281.11725	5.9
283.13330	2.8
285.14874	24.7
295.13458	9.3
297.14859	5.9
313.14343	45.5
365.17538	5.7
384.21722	100.0
393.18564	1.8
402.22702	7.1
410.23175	2.2
436.24948	8.6
454.25839	33.0
461.52707	2.0
472.25430	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	472.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	4.7
55.05504	17.2
61.68044	5.3
67.05491	10.5
71.13520	11.0
72.08161	69.1
79.05506	24.4
81.03432	11.7
81.07059	10.2
83.04987	37.4
91.05502	22.4
92.01247	5.5
93.07065	15.5
103.05411	6.5
105.07040	25.1
107.08633	10.1
111.04432	6.6
115.05452	7.1
117.06998	9.9
117.20558	5.4
118.04099	6.8
119.08582	10.6
129.07014	10.0
131.04971	10.1
131.08553	9.9
133.06517	19.0
133.10120	5.4
135.11684	5.6
143.08505	6.0
145.10141	7.9
152.10753	8.8
155.08609	7.4
161.05984	17.1
166.07759	5.1
167.07063	38.8
167.08492	9.9
173.06067	5.9
175.07610	11.2
176.04716	7.9
182.11807	27.9
191.07056	40.4
193.08611	91.5
195.08067	6.3
200.12871	8.7
209.09605	6.4
217.08633	7.1
218.09523	8.1
220.08891	5.6
221.09822	6.1
223.07584	7.2
225.09039	6.5
227.07193	5.5
233.09587	8.2
237.12654	7.6
246.18524	18.8
253.08673	6.2
255.10110	12.1
264.19803	9.4
265.12253	18.6
269.11716	7.2
273.15018	9.4
283.13376	6.5
284.32950	5.5
297.14929	39.0
305.15311	10.5
323.16544	25.4
337.17987	30.3
365.17535	35.8
436.25113	46.3
454.26031	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01875	1.4
55.05522	1.9
57.03442	2.7
57.07076	1.2
58.06611	3.3
59.05000	1.1
61.02936	3.6
65.03965	0.5
67.05513	2.5
69.03434	12.1
69.07069	4.6
70.06606	3.7
71.05002	5.1
72.08154	1.8
73.02925	2.0
79.05495	2.7
80.05061	0.6
81.03413	3.6
81.07066	19.3
82.06601	1.8
83.04989	2.5
83.08652	0.9
84.08158	2.7
85.02913	17.1
85.06566	1.7
86.09718	1.6
87.04473	3.1
91.03976	0.8
91.05479	0.7
93.07067	1.3
95.04980	0.7
95.08601	3.4
97.02904	8.3
97.06519	2.2
97.10171	2.2
99.04460	2.3
99.08102	1.1
100.11298	0.5
105.07061	1.4
107.08602	6.3
109.02869	2.5
109.06563	0.9
109.10155	4.0
110.07175	0.5
111.08101	1.0
111.11732	0.9
116.07151	0.5
119.07324	0.7
121.10155	1.4
123.04494	0.7
123.11720	6.8
124.03971	7.9
125.09650	4.9
127.03930	5.0
128.07085	6.7
128.10735	0.8
129.10280	0.5
130.04996	0.5
131.11378	0.4
133.10159	0.7
137.02385	1.1
139.03864	0.5
139.11194	7.0
141.05531	0.9
143.10696	2.7
145.05013	1.7
150.63242	0.5
151.11156	2.1
160.07640	1.1
163.03885	0.9
169.12251	9.5
172.57368	0.4
174.11267	1.1
193.08672	0.8
224.12936	1.4
227.17537	0.5
272.16159	1.1
274.12766	0.6
310.16345	1.4
332.13596	1.2
341.13864	1.3
354.09680	0.5
472.21906	100.0
473.22025	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32032	0.3
56.05042	0.4
58.06607	100.0
61.13187	0.3
69.03439	0.8
69.33566	1.4
69.33993	1.3
70.06599	1.5
72.08170	0.8
74.79372	0.3
78.03470	0.4
81.03412	0.5
84.04565	0.3
84.08149	1.7
85.02917	0.6
86.09722	0.4
89.45530	0.3
93.07022	0.4
96.75703	0.3
97.02953	0.4
98.06091	0.4
106.02933	2.0
107.05042	0.4
109.02924	0.6
115.05492	1.3
117.05799	0.7
123.04421	0.4
124.03980	2.5
127.04034	0.3
128.07074	0.5
132.08107	2.3
133.06551	0.4
137.05998	0.6
140.03418	0.3
142.06538	0.3
149.05959	0.3
154.60268	0.3
160.07597	26.6
161.06007	0.4
172.82214	0.3
187.13278	0.3
193.08664	1.5
202.08527	0.3
205.13524	0.3
206.11864	0.5
224.12851	2.4
250.58492	0.3
268.08246	1.0
427.15063	14.9
428.19040	0.4
436.75754	0.4
472.20920	36.5
473.21225	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.4
55.01870	0.9
55.05518	2.0
57.03447	2.0
58.06605	5.8
59.04996	1.1
61.02933	2.5
65.68755	0.7
67.05521	3.0
67.33743	0.6
68.05010	0.7
69.03437	9.2
69.07086	2.4
70.06600	5.1
71.05007	6.0
71.52571	1.0
72.08176	1.1
73.02946	1.1
74.06082	1.2
79.05518	1.7
80.05023	1.0
81.03433	3.2
81.07064	14.1
82.06590	11.2
83.05010	1.7
83.08656	0.7
84.04522	1.2
84.08158	4.3
85.02909	10.5
85.06549	1.5
86.09727	1.5
87.04507	1.7
93.07049	1.6
93.74791	0.7
94.62320	0.7
95.04993	1.1
95.08628	2.2
97.02935	4.4
97.06526	0.9
97.10186	1.2
98.52045	0.7
99.04467	1.5
99.08140	1.7
100.07643	3.1
107.04961	1.1
107.08607	4.3
109.02921	2.0
109.06561	0.8
109.10201	2.5
109.88609	0.8
111.08107	1.0
113.06049	0.8
114.05550	1.1
116.07077	1.6
123.04462	0.9
123.11713	8.5
123.12432	0.7
124.03969	19.4
124.04823	1.1
125.09612	3.5
127.03907	3.6
128.07094	54.9
128.85300	0.8
129.10266	1.1
135.11761	0.8
137.06073	0.8
139.11220	2.4
141.05495	16.4
142.08725	0.8
143.10721	1.7
144.06560	1.0
145.02911	1.1
145.05067	0.8
151.11211	2.0
160.07607	1.6
163.03902	7.0
169.12218	4.7
188.09187	1.2
193.08658	0.8
222.94130	0.7
224.12915	1.6
292.15790	1.4
310.12665	1.4
310.16571	14.2
314.12320	1.6
332.13464	9.1
332.17249	1.0
378.40216	0.7
427.15295	1.5
472.22040	100.0
473.22272	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03712	0.7
53.03952	11.2
55.01866	1.1
55.05513	1.9
56.19846	0.5
57.54848	0.5
67.05510	2.1
68.99793	1.8
69.03433	0.6
70.57456	0.6
70.57822	1.7
72.08163	11.5
79.05498	5.8
81.03428	25.4
81.07067	9.0
83.01351	1.4
83.04979	0.5
91.05490	4.6
93.07126	0.5
95.04993	1.4
103.05492	1.0
105.07040	0.8
105.56768	0.6
107.04951	2.1
109.06551	3.0
115.05468	2.4
117.07024	2.0
119.04955	35.8
128.06247	2.2
129.07007	2.1
131.04984	0.7
131.08569	9.0
133.06525	1.2
141.07014	2.5
143.04938	0.8
143.08585	6.2
145.01367	1.1
145.06493	5.5
152.10724	4.8
153.06982	1.5
155.08606	3.2
157.06445	3.5
157.10086	0.8
159.04445	3.4
159.08073	10.8
159.09393	0.5
161.06021	0.8
165.07072	1.3
166.07846	4.0
167.08607	1.7
169.06468	17.6
169.07680	2.6
171.04459	1.5
171.08060	3.7
171.11742	1.8
173.06035	0.9
174.43823	0.5
178.07805	1.1
179.08592	1.8
181.06557	1.5
181.10132	8.7
183.08089	1.1
183.11661	1.1
185.06036	1.9
185.09601	0.6
187.03960	4.9
187.07582	1.7
189.05510	0.8
190.07776	0.6
193.10204	1.4
194.07298	1.7
195.08092	1.7
197.06058	2.6
197.09637	1.0
199.04034	2.4
199.07578	5.2
199.11203	3.8
201.05519	1.8
203.03435	0.7
205.04994	8.3
207.08078	2.5
209.06026	2.2
209.09639	10.1
210.06851	0.7
211.07562	1.4
213.05513	1.3
215.03424	3.9
215.06992	4.9
215.08603	0.5
217.04971	2.0
217.08606	0.7
219.06468	1.3
219.08266	1.1
221.09586	2.6
225.05537	1.1
227.03404	6.9
227.07045	3.1
227.10641	3.4
229.05011	0.9
233.04449	10.6
233.09552	0.6
233.68335	0.6
235.07628	1.5
237.05516	5.2
237.09079	3.0
239.06938	0.6
239.10629	0.8
243.06497	3.7
245.04431	1.5
245.08047	0.8
249.09183	3.7
251.10683	0.6
253.04956	1.0
255.06544	2.9
255.10191	0.6
257.08170	0.7
259.05942	1.2
262.06354	0.7
263.07095	0.7
267.10114	1.3
269.08124	0.7
273.07623	0.6
277.08621	6.6
279.06622	0.8
281.08157	0.8
295.09674	4.0
297.07764	0.6
303.08655	2.0
305.08023	3.0
323.09171	4.7
341.10248	14.0
355.11734	1.4
359.11465	0.7
376.15662	0.8
394.16534	42.7
395.16742	0.5
401.12311	9.0
454.18671	100.0
455.19067	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.74197	0.4
60.04529	3.1
60.54546	0.4
61.02938	0.6
69.03439	2.3
70.06612	1.7
71.08389	0.7
71.08746	0.4
79.05505	0.4
81.03446	0.9
84.08151	0.6
85.02917	4.4
86.06091	0.6
86.09718	1.0
87.04498	0.6
89.06042	0.9
89.97843	0.4
93.07052	0.5
95.08630	0.5
97.02901	1.8
98.21441	0.4
99.04500	0.4
100.11274	0.5
107.08640	0.5
109.02914	0.8
115.99649	0.4
121.06448	0.4
127.03978	1.0
133.08620	0.8
134.06050	1.3
135.81700	0.3
135.95404	0.4
139.07571	0.7
145.04990	0.9
146.06061	0.5
165.07011	2.1
165.09164	0.6
167.08632	0.5
174.00133	0.4
178.07838	0.5
179.08575	3.0
189.06990	1.1
190.07764	3.9
191.08572	41.6
192.08994	0.4
193.06500	1.4
195.08150	0.6
201.11229	0.9
202.07802	0.5
205.10144	0.9
206.09703	0.6
207.08090	7.9
208.08859	1.9
208.11259	1.4
217.08957	1.6
218.07361	1.3
218.09653	19.3
219.08101	51.2
219.10406	7.4
220.08856	2.9
229.07695	0.9
233.09770	0.7
234.09166	5.6
235.09991	1.5
236.08464	5.7
236.10706	100.0
237.10992	0.9
250.27383	0.5
251.10692	15.9
260.10425	0.5
268.13342	1.6
278.11789	64.6
279.12015	1.0
296.12848	4.9
310.14398	29.2
311.14630	0.8
463.58179	0.4
472.19778	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	472.1971
Annotation	Platensimycin A4 Methyl Ester
Peak:m/z	Relative Intensity
53.03949	3.0
55.01875	0.8
55.05497	1.8
56.05011	0.5
60.96226	0.4
62.67429	0.5
65.03963	0.5
67.05487	1.8
68.99788	1.9
70.65418	1.1
70.65771	0.8
71.07374	0.4
72.08160	7.5
79.05503	5.4
81.03416	6.1
81.07068	3.6
83.01339	1.0
89.45731	0.5
91.05479	1.9
93.07050	0.9
93.25888	0.4
95.04967	1.1
98.87382	0.5
103.05465	1.6
103.45502	0.4
105.07024	1.8
107.04965	3.9
109.06531	2.8
115.05445	1.4
119.04942	15.0
123.04420	0.5
128.06212	1.2
129.07011	1.5
131.04941	1.8
131.08553	1.7
133.06509	1.5
139.03880	1.0
141.06984	1.6
143.04947	1.1
143.08565	8.1
145.06480	1.4
147.04359	0.6
149.06000	0.7
152.06264	0.9
153.07037	1.0
155.08569	3.3
156.09367	0.5
157.06509	2.8
157.10146	0.6
158.07294	0.7
159.04427	11.1
159.08029	2.6
161.05962	0.7
163.07526	0.8
165.07028	3.3
166.07809	7.8
167.08565	1.7
168.09337	0.8
169.06461	4.6
169.07626	0.6
169.10117	0.7
171.04433	3.4
171.08051	1.4
171.11717	2.0
173.06032	0.7
178.07744	3.2
179.08578	3.5
181.06606	1.8
181.10127	20.0
183.04475	0.8
183.08095	0.8
183.11719	3.0
185.05986	2.3
185.09619	0.8
187.03941	1.4
189.05508	2.2
189.07024	0.6
190.07751	1.1
191.08665	2.5
193.06569	0.6
193.10123	2.9
194.07339	2.7
195.08104	2.4
197.06007	1.2
197.09654	0.9
199.03944	5.5
199.07640	0.9
199.11223	6.2
201.05475	3.9
202.06209	1.0
203.08578	2.9
205.04982	2.2
205.10158	1.5
206.07277	0.7
207.04807	0.7
207.08136	3.5
209.06273	2.7
209.09608	21.3
211.04002	0.7
211.07591	1.5
211.11307	1.1
213.05600	1.1
215.03477	1.3
217.04936	4.1
218.07358	0.7
219.06322	1.2
219.06654	0.8
219.08199	2.8
221.00359	0.6
221.06114	0.9
221.09697	3.3
223.04045	0.6
223.11253	0.6
225.05490	2.9
225.09099	1.1
227.03424	20.1
227.06871	2.6
227.10648	6.7
229.05002	2.2
231.08116	2.6
232.08771	0.6
233.04350	2.3
233.09552	1.4
234.06789	2.0
235.07584	1.4
237.05510	6.0
237.09116	11.7
238.06282	0.7
239.07071	1.7
240.07849	0.9
241.04993	1.4
243.06468	1.2
245.04433	6.0
247.05893	0.6
249.05498	1.2
249.09125	5.2
251.10776	1.0
253.08629	1.2
255.02856	1.6
255.06589	2.0
255.10289	1.2
259.06082	2.8
261.09131	1.1
262.06296	0.8
263.07083	1.4
267.10239	1.7
271.09747	0.8
277.08588	13.9
277.11594	0.7
278.09024	0.6
287.05652	1.4
287.07074	1.7
295.09668	6.2
305.08105	7.6
313.10767	0.9
319.09619	0.8
323.09152	13.0
341.10300	2.4
394.16528	39.1
401.12289	1.7
454.18646	100.0
455.18973	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	0.5
55.05466	0.5
57.03395	0.5
58.06541	1.5
59.04969	0.4
61.02884	0.7
61.29717	0.4
65.03889	0.5
67.04195	0.8
67.05458	0.7
67.37821	0.3
69.03432	3.6
69.07010	1.0
69.25600	0.3
69.42632	0.8
69.43054	1.6
70.03742	0.3
70.06540	1.3
70.10982	0.3
71.05003	2.0
73.02868	0.5
74.06029	1.2
79.05455	0.8
80.40654	0.3
81.03376	1.5
81.07064	5.4
81.17311	0.3
82.06588	16.5
83.04961	0.8
83.07322	0.4
83.08608	0.4
84.08157	1.7
84.08562	0.4
85.02918	3.7
87.04424	0.6
91.05463	0.4
93.07070	0.5
95.08591	0.8
97.02895	1.7
97.06473	0.4
98.20702	0.6
99.04444	0.5
100.07613	4.8
103.24477	0.3
107.08629	1.8
109.02863	1.3
109.10143	1.1
114.05535	0.7
116.07086	0.7
119.63172	0.3
121.10059	0.5
123.04430	0.7
123.11716	2.4
124.03961	3.3
125.09646	1.7
126.03133	0.8
126.05566	0.4
127.03922	1.6
128.07091	100.0
129.07481	0.6
129.10223	0.4
136.75208	0.3
139.11208	1.2
141.05478	23.9
142.08707	0.7
143.02742	0.4
143.10695	0.6
144.06577	0.9
145.04922	0.4
151.11220	0.6
160.07655	0.5
163.03987	1.1
168.06644	0.8
169.12241	2.4
186.07697	0.4
188.09224	2.1
224.13065	0.7
230.10568	0.4
286.13120	0.6
290.12555	0.5
292.16046	0.4
293.09586	0.4
296.08368	0.3
296.11639	1.1
310.16638	4.0
314.12408	2.9
332.09735	0.5
332.13431	13.6
358.51767	0.4
428.22653	0.7
454.17950	0.5
472.08734	0.8
472.22910	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	8.2
55.01877	9.8
57.03437	6.3
61.02934	6.7
68.99789	2.4
69.03090	1.9
69.03438	27.0
70.55072	1.8
71.05002	5.6
73.02936	10.5
77.95888	1.0
79.05509	2.2
81.03429	31.1
85.02914	97.5
85.06535	2.5
87.00838	39.1
87.04448	2.1
91.03958	3.1
95.04998	1.3
97.02901	56.8
99.04467	18.2
101.02421	1.2
103.03896	1.1
105.01881	63.3
105.03394	21.8
108.04479	1.3
109.02895	36.6
117.01854	5.6
123.04448	5.0
125.05988	1.1
127.03931	100.0
127.86316	1.0
129.01810	4.7
135.98419	1.1
136.19725	0.9
138.84764	1.0
145.04979	59.0
147.02875	4.7
147.07968	1.5
159.02916	26.3
165.09070	1.3
175.07616	1.8
177.03917	2.3
189.03944	1.9
189.09108	3.7
193.08638	2.5
211.09682	2.6
212.41431	1.1
213.03992	5.6
231.05022	34.3
249.06107	11.4
297.09778	1.4
315.10834	3.3
397.35129	1.1
399.69855	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01870	3.0
61.14640	2.0
63.06339	2.1
67.05511	4.5
68.99779	8.3
69.07047	8.2
69.14951	1.9
70.57345	5.8
71.05011	3.8
79.05513	10.0
81.03407	3.6
81.07043	4.4
83.04980	1.9
84.08118	3.2
91.05463	4.7
92.48597	1.9
93.07017	2.5
95.04905	2.8
97.06541	100.0
98.20816	2.3
105.06972	2.5
107.08589	2.7
109.10126	3.1
123.04440	4.8
135.04439	3.9
136.05141	3.8
139.03938	19.1
142.75093	1.9
144.44740	2.1
145.06456	11.2
147.07964	2.1
151.03809	2.2
151.07558	62.5
157.06509	3.7
158.07278	7.1
159.04367	4.2
162.47528	2.2
163.03938	3.8
165.05400	2.4
172.08803	4.1
173.05984	7.1
174.06787	15.8
175.07501	2.7
186.06757	2.8
187.07489	2.9
188.08322	7.9
189.05501	7.3
189.09146	37.8
191.07043	4.1
201.05560	2.5
201.09113	43.3
203.10672	12.1
215.07074	8.9
219.10133	13.5
229.08476	2.8
231.10242	9.9
235.09622	18.0
239.10794	2.3
241.04930	6.5
241.08774	2.7
249.08878	2.4
256.07324	64.9
263.07059	3.3
269.08051	10.3
273.11243	10.9
277.08511	4.7
278.09326	3.9
284.38397	2.1
285.07550	7.5
285.11084	2.7
286.08414	18.6
294.08829	2.4
297.07574	2.3
299.09070	2.4
307.09833	2.6
321.11105	6.8
327.12411	2.5
331.09665	2.2
335.12823	4.5
337.10617	3.4
339.12183	4.1
357.23279	2.5
379.15506	7.1
382.14157	86.4
383.14542	7.5
391.15457	6.4
395.14816	9.9
404.16269	3.2
423.17947	8.0
435.18005	26.4
453.19174	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	471.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.05515	15.7
57.03443	6.0
57.07074	2.2
62.55847	0.9
65.03952	1.2
67.05511	29.9
69.06728	1.6
69.07072	20.0
71.04997	1.5
71.53407	1.2
72.08153	0.8
73.88863	1.1
77.29615	1.0
79.05503	10.4
81.07066	33.2
82.73782	0.8
83.05000	1.3
83.08637	8.0
91.05501	5.8
93.07059	8.7
95.08618	21.5
97.06525	1.5
97.10184	3.8
105.07054	5.5
107.08591	6.1
109.10170	8.7
119.08598	3.5
121.10165	3.6
123.08058	1.1
123.11719	2.9
125.06773	0.8
133.10168	3.8
134.98198	100.0
135.11726	2.4
137.13203	1.2
147.11726	1.4
161.13283	0.9
163.55664	0.9
169.30452	0.8
175.14787	1.3
176.00862	3.0
187.13429	1.0
192.36856	0.9
209.01842	2.5
245.06825	0.8
337.27386	37.9
350.25864	0.9
359.25558	16.6
377.26675	1.1
426.64670	0.9
471.24887	88.0
472.25269	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12381	2.0
60.30104	1.6
69.03414	3.0
69.07066	8.6
71.52746	2.5
74.10929	1.8
79.05492	3.2
81.03421	5.2
81.07053	4.6
83.04979	2.6
85.02905	2.1
91.05488	4.6
93.07035	2.0
95.04959	2.1
97.02877	10.1
105.07058	4.3
107.04976	3.9
107.08566	3.6
108.05759	2.1
109.02880	3.1
111.04467	1.6
117.07001	2.1
119.08644	2.7
121.06528	2.4
125.02357	24.5
129.07007	2.0
131.08566	2.6
135.04379	1.9
136.05199	3.9
137.06004	1.9
145.06488	4.8
151.03917	2.3
151.07553	100.0
155.03409	14.7
157.06473	2.4
159.08052	3.2
161.06032	2.6
162.06764	1.9
165.09160	2.0
167.03465	15.4
171.08095	3.6
172.08859	4.5
173.05968	3.2
174.06757	5.6
175.07536	3.7
177.09126	5.1
179.03392	1.6
179.07042	2.1
181.06532	2.4
183.07971	2.9
184.08914	2.2
186.06734	2.3
186.10335	1.8
187.07559	3.1
188.08351	10.7
189.09123	29.6
191.10686	3.9
193.04860	2.2
195.08040	2.7
197.09682	2.3
199.07603	2.8
200.08400	2.0
201.09120	25.0
202.09868	6.8
203.10696	18.6
208.08983	2.6
211.11203	4.6
212.08423	3.7
213.09177	4.6
214.09914	2.0
215.10725	6.3
216.07816	2.0
216.11411	3.6
217.08488	2.9
217.12227	6.1
219.10228	8.2
219.13811	10.0
223.11237	3.0
224.08342	2.7
224.11920	2.4
225.09212	4.4
227.10687	5.1
229.12257	5.5
231.10176	13.3
237.09305	1.9
237.12729	3.6
238.13556	3.0
239.10667	9.4
241.12346	2.5
242.13068	2.9
243.10110	4.1
243.13893	9.4
244.14516	2.8
245.11717	2.2
245.15395	6.4
249.11230	4.2
253.12178	2.8
254.13000	2.7
255.13774	4.7
256.14511	2.0
257.11661	2.8
257.15369	9.5
267.14020	2.4
269.15329	8.1
271.17035	4.5
279.09787	2.0
281.12054	1.9
281.15353	4.0
287.16400	10.5
299.16437	6.3
303.12277	2.5
317.17599	2.7
321.11182	1.8
337.10800	2.0
355.11740	2.9
367.11707	2.6
377.17163	2.7
385.12659	3.1
393.17038	2.1
395.19089	1.7
397.13013	2.3
405.16956	2.8
411.18219	3.6
423.18130	5.4
435.18073	3.3
441.19107	9.3
453.19080	12.0
471.20319	14.3
478.84378	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70703	3.6
55.01880	6.7
55.05520	4.6
58.06604	8.2
65.56306	4.7
65.80169	3.6
67.05515	6.2
68.99803	7.3
69.03419	10.3
69.07072	7.2
70.06619	20.3
70.06910	4.0
71.04974	5.9
71.52485	6.9
72.08161	9.4
74.20238	3.6
79.05504	5.2
81.03409	11.3
81.07066	27.9
82.07391	10.0
84.04480	4.3
84.08131	12.5
85.02895	25.8
86.09700	12.4
89.46503	4.2
91.05476	4.7
95.04964	16.4
95.08600	6.0
97.02898	15.6
98.06039	5.5
105.07001	6.7
107.08607	5.6
108.08929	5.1
109.02882	13.2
109.10164	8.1
111.04410	8.0
111.08089	8.1
119.04960	9.3
121.02839	10.6
123.04441	21.4
123.11739	14.0
124.12062	4.3
127.03933	7.8
128.07108	10.0
129.05505	24.7
129.10341	4.9
135.30197	4.0
139.03899	19.9
141.05461	7.7
143.08163	8.6
145.02757	4.6
147.04398	40.5
151.03947	24.0
151.11203	8.9
152.11490	7.7
157.12256	5.6
159.04330	5.9
160.07553	9.0
161.05962	5.0
163.03914	27.6
165.05501	6.8
169.04997	14.5
169.12282	23.2
170.12579	12.1
175.03970	21.1
177.05479	15.7
181.04970	83.1
183.02939	4.6
187.03922	17.3
187.13313	27.9
188.13680	20.3
189.05452	7.0
193.04976	100.0
199.03862	4.0
201.05432	8.3
205.04988	59.7
207.06473	13.7
211.06047	18.2
213.05521	7.5
217.04951	12.4
219.06514	16.7
223.06042	37.7
225.05510	6.0
227.10370	5.9
229.04985	19.3
231.06488	7.0
235.06024	37.7
241.04941	10.2
243.06529	7.7
247.06047	98.3
255.06516	15.5
259.06030	58.7
261.07648	6.1
269.08084	11.5
271.05966	10.5
272.09210	23.1
273.07578	14.9
274.13846	5.7
277.07013	29.8
285.07608	11.7
287.09076	4.5
289.07053	25.3
291.08716	15.8
291.83850	4.2
295.08313	9.9
297.07465	21.4
303.08615	25.7
307.08112	17.3
309.09787	9.9
311.09079	6.4
313.09204	27.1
315.08643	44.0
321.09882	27.8
325.09235	45.3
333.09702	53.3
351.10779	12.0
357.09674	48.9
369.09570	8.4
375.10822	20.0
380.86325	4.4
381.09677	16.6
387.10815	37.8
399.10846	33.4
417.11877	44.4
433.71222	5.0
435.12955	80.0
453.13959	54.4
471.14557	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	470.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75506	2.3
53.03949	4.7
55.01873	4.3
55.05516	27.0
56.05037	2.5
57.07074	4.8
65.03915	2.6
67.05508	12.5
67.06910	2.3
68.25851	2.1
69.03427	6.7
69.07076	100.0
69.55792	15.9
70.06601	44.5
70.07407	3.4
71.04993	4.9
72.08170	2.4
75.57335	2.0
79.05504	16.3
79.89951	2.4
80.05817	3.3
81.03426	4.4
81.07068	27.1
84.04519	5.4
84.08151	13.7
85.02905	10.8
85.06552	65.7
86.09743	3.4
89.03947	2.5
91.05481	25.6
93.07052	85.1
95.04985	5.9
95.08604	9.9
97.06544	50.6
97.10165	8.3
97.96739	2.2
98.06881	12.0
102.05553	3.8
105.03269	2.9
105.07042	20.2
107.04944	6.9
107.08603	55.0
109.10168	10.2
110.07188	2.7
110.09684	2.3
111.11728	50.4
115.05476	5.5
115.08649	3.1
117.03409	2.8
117.07042	20.2
119.08597	8.2
121.06522	20.6
121.10155	3.9
123.04469	2.3
123.11719	7.5
127.03928	4.2
128.06244	5.3
129.07007	8.8
129.10242	9.5
131.04953	6.6
131.08522	3.0
133.06511	12.9
133.10159	2.7
135.04387	6.7
135.08041	5.5
135.11710	88.1
136.04889	3.3
136.07596	3.8
137.06004	4.0
139.03937	3.7
141.06996	2.8
142.07785	3.5
143.08531	9.3
144.05666	2.9
145.02867	4.2
145.04962	2.8
145.05342	3.9
145.06494	35.6
145.10196	3.0
146.03195	4.1
147.08119	11.2
151.07565	53.7
152.07979	2.4
154.07727	3.1
155.08624	3.4
156.09348	6.4
157.06538	19.9
158.07275	8.2
159.04294	3.1
159.08051	10.8
161.02324	5.8
161.05994	4.8
161.09622	6.5
163.03952	29.1
163.07541	16.9
164.04239	18.7
165.09120	6.9
166.07738	2.4
169.06432	3.1
169.10097	3.6
170.07164	2.8
171.08049	8.6
172.08815	4.7
173.02385	18.1
173.09526	10.1
174.02676	13.8
175.07501	11.3
177.05508	5.6
179.10727	5.6
183.08154	2.8
184.08846	8.0
185.09607	6.3
187.07614	5.0
187.11166	24.0
189.09094	11.8
191.10745	5.1
199.11212	92.6
201.09001	3.4
203.10658	10.9
205.04991	4.6
205.12299	4.3
213.12788	4.7
215.07014	17.7
216.07401	26.3
217.12199	18.6
219.10147	3.8
222.07726	3.2
241.08606	3.9
242.08936	4.5
243.09265	3.3
255.17448	51.1
256.07419	3.0
259.09692	46.7
260.10019	67.5
261.10648	3.6
273.18497	13.1
277.10565	7.9
278.11166	11.7
384.18393	2.5
452.17749	3.3
470.18933	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	470.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
55.01858	0.4
55.05513	0.5
62.48286	0.3
63.20027	0.4
65.03949	0.5
66.63757	0.3
67.05514	0.5
69.03446	0.3
69.07058	1.3
69.50784	1.1
69.51215	1.0
70.06603	3.1
70.07376	0.3
73.02956	0.4
78.04707	0.4
79.05495	3.8
81.03419	0.5
81.07066	0.6
84.04497	0.4
84.08150	1.0
85.02909	1.4
91.05492	5.7
95.04973	0.7
95.08609	0.5
97.02901	0.4
97.06546	3.0
98.06861	0.6
101.90565	0.3
102.80553	0.3
105.03419	0.7
106.06568	9.2
107.08602	0.4
109.06510	0.6
116.04992	5.9
116.06362	0.3
116.07099	2.3
117.07018	0.5
119.06066	0.6
119.08604	0.4
128.06258	0.4
129.10245	0.3
130.06535	0.3
132.08083	0.5
134.06027	100.0
134.27228	0.3
135.04440	0.4
135.06421	0.5
144.08096	17.8
148.07590	0.4
151.07556	0.5
156.08144	0.6
158.09698	1.9
161.02379	0.4
163.03926	1.9
163.78201	0.3
164.04260	1.4
165.10246	1.3
168.08134	0.4
173.02368	1.2
174.02707	1.0
174.09155	0.5
175.07538	0.3
175.12320	1.0
186.09189	3.9
188.10754	1.0
189.09055	0.6
201.08891	0.5
201.10446	0.6
215.07059	1.4
216.07445	1.1
217.13495	0.4
222.74211	0.3
243.10184	1.0
259.09702	2.7
260.10019	4.7
272.12860	0.5
277.11002	0.4
278.11121	0.9
288.12219	0.3
290.16675	1.1
306.13361	2.0
308.17679	28.2
309.17712	0.4
337.17627	0.6
350.18661	11.9
416.19824	0.5
423.73135	0.4
434.20786	0.4
435.16629	1.0
452.21973	0.9
470.23135	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	470.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21667	0.2
55.05524	0.5
57.63923	0.3
58.06610	0.7
67.04243	0.4
69.03436	0.7
69.64214	1.7
70.06600	3.4
71.05002	0.7
72.08163	0.3
80.04996	0.3
81.07055	0.8
82.06590	17.8
83.05021	0.3
83.07373	0.5
84.08141	1.3
85.02923	0.8
86.09704	0.4
87.04443	0.3
91.05476	0.3
91.35201	0.3
95.04996	0.3
97.02896	0.4
98.21484	0.5
100.07630	4.9
104.07122	0.6
109.10214	0.3
111.08105	0.5
112.08739	0.6
114.05567	0.5
116.07130	2.6
121.06510	0.4
122.02752	0.5
123.04366	0.4
128.07094	100.0
129.07417	0.5
129.10289	0.4
137.05827	0.3
146.11858	0.3
147.04401	0.7
151.11211	0.6
163.03961	0.4
169.12244	0.8
230.79805	0.3
308.15033	3.0
384.33640	0.3
426.08472	0.3
470.09677	0.5
470.20328	5.1
470.27200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.01859	2.1
55.05516	2.3
57.03436	2.7
57.73510	1.4
61.93938	1.5
67.05499	5.2
69.03427	9.3
69.07077	8.6
69.44692	10.1
70.06593	23.1
71.04995	22.3
79.05486	7.9
81.03426	7.5
81.07059	72.3
83.04986	3.6
84.08141	8.2
85.02905	20.8
85.06540	2.0
86.09742	2.7
87.00838	4.8
91.05467	2.6
93.07040	3.2
95.04980	1.6
95.08639	4.0
95.48974	1.3
97.02889	7.3
97.06528	6.0
98.06068	2.5
99.04444	4.3
99.08089	3.3
105.01870	6.3
105.07037	2.1
107.08601	14.4
108.91227	1.5
109.02883	7.7
109.06511	2.2
109.10165	21.0
111.08102	1.6
111.11713	5.8
112.07610	18.6
121.10159	3.5
123.04463	1.5
123.11711	26.2
124.03925	2.4
127.03923	12.1
128.73936	1.5
133.02884	3.2
133.10135	2.4
139.03989	1.5
139.11186	10.2
140.07072	8.6
145.04974	4.6
147.04384	3.0
151.03908	4.0
151.11182	36.4
157.12238	13.6
158.08122	2.4
159.02910	2.2
161.02420	1.9
165.33519	1.6
169.12247	50.8
181.04906	2.3
187.13307	100.0
193.04964	6.4
205.14365	5.9
222.11221	5.1
231.04996	1.8
247.05977	2.4
255.12383	4.7
268.08203	1.9
270.18924	1.4
273.13327	21.3
284.11191	2.4
284.75766	1.7
315.08453	1.9
333.09711	2.0
435.18613	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	469.3795
Annotation	Scorodocarpine C
Peak:m/z	Relative Intensity
55.05493	1.2
56.71140	0.3
57.07061	0.5
67.04246	0.3
67.05505	0.7
69.07059	0.8
71.08642	0.3
81.07043	1.0
83.08608	1.0
89.06036	0.7
91.05475	0.5
91.25615	0.3
95.08590	0.8
97.10174	0.4
104.19118	0.3
105.07023	0.8
109.10166	0.4
115.05470	2.7
117.05730	1.6
132.08098	5.9
133.06523	1.0
133.08615	0.6
142.06508	0.9
143.07329	0.4
146.06006	0.9
148.07573	0.6
159.06851	0.6
160.07594	100.0
161.07913	0.7
172.97865	0.3
177.10246	8.9
263.72162	0.3
280.32693	0.4
283.17542	0.5
317.78320	0.3
452.35468	2.9
469.38058	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	470.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.9
55.05519	0.7
58.06601	0.9
67.05506	0.7
68.05044	1.0
69.03452	1.1
69.67670	1.8
69.68083	1.3
70.06600	100.0
72.08175	0.9
74.06083	1.3
81.03416	2.2
81.07045	1.6
84.08143	1.7
85.02917	1.9
86.09716	1.0
91.05513	0.7
93.07074	0.6
95.08627	1.5
97.02911	2.1
98.06120	0.8
105.06972	0.7
109.02893	4.8
109.10175	1.2
112.07619	80.0
114.05561	3.7
116.07121	3.0
119.08633	0.8
121.06548	0.8
123.04451	0.8
124.03951	1.5
127.03945	1.2
128.07057	0.6
131.04956	0.7
140.07085	48.2
144.06578	1.1
146.06012	1.8
147.04485	0.9
151.03917	11.0
151.05058	0.6
158.08145	7.8
160.07561	0.8
162.05511	0.7
164.10629	0.6
167.03349	0.6
172.06099	0.7
174.05447	0.7
179.07082	0.9
184.06898	0.7
189.09128	0.8
222.11337	0.7
224.09187	0.7
230.10342	0.6
239.00020	0.6
266.10217	3.0
284.11307	5.2
302.12259	1.2
308.18970	0.8
324.65546	0.6
379.12094	0.6
391.28705	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	1.0
58.06602	2.4
61.49229	0.8
68.05048	1.2
69.03430	1.2
70.06600	100.0
71.52930	1.0
74.06092	16.1
76.02217	0.8
79.05506	1.3
81.03426	3.1
81.07060	1.2
84.08162	3.1
85.02917	2.6
86.09734	1.6
90.58436	0.6
91.05484	0.8
97.02907	1.8
98.06065	3.3
102.05563	1.8
105.07117	0.8
107.04961	1.5
109.02901	7.1
112.07619	90.7
114.05550	3.0
116.07111	9.9
120.06626	2.6
121.32971	0.7
123.04433	1.7
124.04016	1.5
127.03955	1.7
128.07120	1.0
131.04990	0.8
137.06058	1.0
140.07079	52.2
141.05455	0.7
144.06575	10.8
145.04953	0.9
147.04446	2.4
151.03934	14.9
151.05098	1.6
158.08162	7.1
162.02255	1.6
173.05974	0.9
183.06670	2.8
184.07410	0.7
222.11279	0.8
230.10365	0.9
266.10324	2.9
270.09814	2.0
284.11368	5.8
288.10886	1.4
302.12509	1.1
306.11816	1.0
308.22702	0.9
470.29178	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.6
53.03939	4.9
55.01880	7.0
55.05520	8.7
57.03428	5.3
57.07069	1.8
59.04986	1.5
61.02937	1.8
65.03947	1.3
66.98782	1.4
67.05510	12.1
68.99791	2.9
69.03437	17.0
69.07072	20.8
70.06610	2.1
70.76666	3.3
71.01386	2.6
71.05010	13.1
73.02909	1.5
73.06567	1.6
79.05136	1.8
79.05501	18.6
81.03429	8.4
81.06655	2.0
81.07068	23.3
83.04979	3.4
83.08653	1.4
85.02915	14.7
87.00818	6.5
89.03942	3.0
89.38000	1.5
91.05486	12.8
93.07058	21.7
95.04965	8.4
95.08619	16.3
96.93587	1.2
97.02889	5.8
97.06542	88.8
98.06826	1.9
99.04469	3.3
103.03930	3.3
105.01882	3.4
105.07047	21.6
107.04953	4.7
107.08619	16.7
109.02863	6.5
109.06519	4.4
109.10156	16.7
111.04423	2.9
115.03919	2.5
115.05476	1.6
117.03387	6.2
117.07029	4.2
119.08601	18.2
121.06519	4.4
121.10153	15.3
123.04418	4.0
123.08069	4.5
123.11716	5.0
125.09657	3.1
125.61506	1.7
127.03912	5.4
127.11190	10.2
128.06166	2.8
129.01823	2.3
129.06987	4.9
131.08585	11.1
133.02866	4.3
133.06491	2.4
133.10164	14.2
135.04471	8.9
135.08064	4.5
135.11703	9.3
137.05959	1.7
137.09639	1.8
137.13255	1.9
139.11253	2.0
141.06981	3.2
143.08571	6.7
145.02850	9.9
145.04945	1.9
145.06474	3.1
145.10133	13.4
147.02826	2.4
147.08009	3.9
147.11707	10.5
149.09575	1.8
149.13242	4.2
151.03915	1.8
151.07553	4.9
153.12724	5.4
155.08517	1.6
157.06451	1.9
157.10165	8.8
159.03093	1.6
159.04391	7.3
159.08029	2.4
159.11708	16.9
161.02365	21.5
161.09607	4.2
161.13254	10.2
163.03918	65.5
164.04276	2.0
165.09093	2.9
169.10110	2.2
171.07968	2.0
171.11707	4.0
173.02354	50.5
173.09608	2.4
173.13272	4.7
173.53009	1.5
174.02661	2.7
175.11229	1.9
175.14870	5.3
177.12674	2.3
177.16472	2.4
181.10153	2.0
183.11729	3.1
185.05965	3.9
185.13326	3.9
186.54555	1.6
187.03780	1.9
187.07539	2.0
187.11212	3.9
187.14920	3.1
189.03946	3.1
189.05551	1.8
189.09122	3.7
189.12822	1.7
189.16415	3.9
193.15826	2.2
197.13242	2.0
201.09181	10.7
201.12784	3.2
201.16368	5.6
203.10698	3.7
203.14345	5.0
203.17984	5.4
207.10133	1.6
213.16318	2.1
215.07043	70.0
216.07442	2.6
219.17375	2.6
221.15262	2.3
221.18997	3.2
225.12848	3.8
227.17976	2.4
231.10193	2.0
233.19160	2.2
239.14319	1.7
243.13774	2.4
243.17448	2.0
245.19019	3.4
257.19293	1.4
259.09683	100.0
260.10049	10.8
263.20090	3.2
267.92209	1.5
275.20193	1.6
277.10730	97.8
291.87125	1.6
311.20218	7.1
329.21027	4.5
415.21069	2.5
433.22162	3.7
451.17529	2.2
451.23334	5.9
469.24158	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	469.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.5
53.82658	1.0
55.00539	1.0
55.01884	12.4
55.05519	19.9
57.03442	8.3
57.07066	6.7
61.02936	6.7
62.58435	1.3
65.03941	2.3
67.05513	23.0
68.99794	7.2
69.03436	31.2
69.06725	2.3
69.07078	32.2
70.71357	2.4
70.71725	1.8
71.01382	1.7
71.04996	25.8
71.08653	1.7
73.02912	3.2
79.05502	26.6
81.03430	25.3
81.07068	54.5
83.05003	8.6
83.08620	8.1
85.02915	37.9
85.06562	2.2
87.00833	20.2
87.04478	1.9
89.03947	2.5
91.05483	18.0
92.30745	1.1
93.07056	38.3
95.04990	13.8
95.08617	44.8
97.02908	19.5
97.06544	70.9
97.10181	6.4
98.06890	2.8
99.04492	6.9
99.08102	5.3
103.03949	6.2
103.05393	1.2
105.01891	9.5
105.07040	42.0
107.04966	7.2
107.07880	1.9
107.08606	38.1
109.02894	13.8
109.06526	8.3
109.10175	42.0
111.04476	8.5
111.08083	2.7
111.11729	2.2
113.09706	1.2
115.03921	9.1
115.05462	2.7
117.01888	1.7
117.03382	5.3
117.07037	8.6
119.04997	1.6
119.08595	45.3
121.06539	7.4
121.10156	38.3
123.04448	7.0
123.08098	8.7
123.11726	23.1
125.09642	4.8
127.03922	15.4
127.11217	17.4
128.06229	3.3
129.01900	6.4
129.05539	1.6
129.07034	6.8
130.07721	1.4
131.08597	17.4
133.02852	2.5
133.06546	2.9
133.10150	35.7
135.04437	9.1
135.08089	5.6
135.11707	26.9
137.05986	6.4
137.09647	6.4
137.13266	7.6
139.07547	2.6
139.11200	2.7
141.05472	1.7
141.07014	3.2
142.07782	5.4
143.08582	13.7
144.09366	3.4
145.02863	6.8
145.04982	3.6
145.06474	3.4
145.10141	24.5
147.02924	4.9
147.08041	5.7
147.11696	24.3
149.09605	5.8
149.13283	16.8
151.07585	2.1
151.11227	5.2
153.12761	5.8
155.08583	5.7
156.09320	3.9
157.06512	2.4
157.10141	17.4
159.02908	7.4
159.04431	4.6
159.08078	5.4
159.11710	30.9
161.02376	15.2
161.09601	5.0
161.13300	15.2
163.02559	2.5
163.03929	48.7
163.07561	3.1
163.11197	3.4
163.14842	3.6
164.04323	2.4
165.07018	1.5
165.09105	3.0
165.12790	3.0
167.08562	2.2
169.10127	7.2
170.10828	1.5
171.03059	1.2
171.08086	3.6
171.11726	13.3
172.12421	1.3
173.02361	42.2
173.09703	3.6
173.13319	9.7
174.02634	1.6
175.11249	6.1
175.14865	7.0
177.09114	2.0
177.12834	5.6
177.16432	5.2
179.08559	1.4
179.10680	1.5
181.10202	3.0
182.10895	2.4
183.07993	1.6
183.11708	7.4
185.06058	1.9
185.09644	4.5
185.13281	6.8
187.07587	1.8
187.11145	5.6
187.14893	7.0
189.03970	6.5
189.09143	3.4
189.12740	7.3
189.16364	11.0
191.03436	2.6
191.10808	1.9
191.14354	5.1
191.17979	4.7
192.09392	2.1
193.10187	2.4
193.15981	2.5
193.19533	1.9
195.11729	4.6
195.17451	3.0
197.13312	5.9
199.11227	3.2
199.14873	3.6
201.03996	4.8
201.09219	2.3
201.12764	5.0
201.16435	14.1
203.10721	1.9
203.17972	23.4
205.15898	1.5
205.19533	3.1
207.10126	2.9
207.11780	3.3
209.13287	2.8
211.14699	1.5
213.04021	1.8
213.09164	2.0
213.12833	3.4
213.16386	4.5
215.07063	55.9
215.14343	2.4
215.17987	4.8
216.07451	3.9
217.15997	1.4
217.19621	1.4
219.05038	2.7
219.17462	12.3
221.19006	13.5
223.14871	2.6
225.12764	7.8
225.16386	3.0
227.14386	1.8
227.17984	4.4
231.05037	3.0
231.13860	1.7
231.17555	5.0
233.08286	2.0
233.19099	7.8
239.14340	1.7
241.08649	1.6
241.15906	3.9
243.13766	4.0
243.17509	4.8
245.19058	10.1
249.18544	2.4
255.17491	1.4
257.19089	4.5
259.09705	100.0
259.17053	2.3
260.10004	19.3
261.14954	1.7
261.18527	2.4
263.20059	6.0
265.19443	1.9
267.17554	1.5
269.19080	3.4
271.17010	1.4
275.20306	3.2
277.10742	71.9
283.20593	2.6
287.20105	5.8
293.18835	5.9
301.21829	2.2
305.21155	2.7
311.20078	14.5
329.21164	13.1
347.14981	2.0
347.22214	3.5
365.23428	1.5
383.17038	3.1
389.22961	1.5
397.20300	1.2
403.08453	1.3
415.21112	5.9
433.22278	10.0
451.23257	18.0
469.18314	1.1
469.24435	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	469.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	5.0
53.03945	16.4
54.08068	4.0
55.01873	14.1
55.05517	32.5
57.03429	13.8
57.07074	8.7
61.02922	11.0
65.03937	4.6
67.05515	47.3
68.99783	12.2
69.03430	67.7
69.07069	48.6
69.92723	15.0
71.01341	5.6
71.05002	43.8
73.02917	7.7
79.05500	37.9
81.03426	38.7
81.07066	98.0
83.04994	11.9
83.08625	15.4
85.02915	74.8
85.06541	6.8
87.00840	31.9
89.03875	4.4
91.05502	39.8
93.07043	62.8
95.04970	18.5
95.08617	81.6
97.02914	39.1
97.06538	77.3
97.10171	14.5
98.21408	8.0
99.04472	18.4
99.08100	7.1
103.03948	6.8
103.05469	5.7
105.01858	13.3
105.07037	75.1
107.04984	9.0
107.08598	63.6
109.02882	26.3
109.06526	19.4
109.10159	72.5
111.04449	18.5
111.08062	9.1
113.06030	4.1
115.03931	18.5
115.05420	6.4
117.03353	7.0
117.07036	13.5
119.04990	5.3
119.08594	78.1
121.06491	14.8
121.10146	51.8
123.04420	13.9
123.08067	13.2
123.11720	43.8
125.09676	7.8
127.03941	31.6
127.11211	40.5
129.01819	12.2
129.06995	12.8
130.77341	4.9
131.08597	25.4
133.06500	7.1
133.10149	54.6
135.04425	13.4
135.08072	11.7
135.11708	41.4
137.06020	8.8
137.09621	10.5
137.13228	13.3
139.03842	4.5
139.11072	4.8
141.07008	7.2
142.07765	9.5
143.08554	22.7
144.09334	7.8
145.02838	10.6
145.04953	9.0
145.06467	9.8
145.10144	53.7
147.02867	11.1
147.08072	12.7
147.11703	52.8
149.09666	11.7
149.13307	22.8
151.07613	6.8
151.11220	6.5
153.12767	12.4
155.08585	8.1
156.09325	9.6
157.10155	30.9
159.02948	10.6
159.08051	6.5
159.11710	51.5
161.02361	13.5
161.09679	11.1
161.13228	25.2
163.03908	54.3
163.07564	5.4
163.11160	8.6
163.14767	6.0
165.09093	4.6
165.12782	9.0
167.08536	5.6
169.10162	16.6
171.08098	4.7
171.11720	22.1
173.02371	39.2
173.09534	6.0
173.13280	20.0
175.11162	12.9
175.14835	14.3
177.12735	10.1
177.16394	9.7
183.11678	10.8
185.09637	10.8
185.13280	13.9
187.11195	7.2
187.14839	15.5
189.03952	9.2
189.09161	7.1
189.12762	11.5
189.16397	16.2
191.14340	7.7
191.17975	12.8
193.15976	4.4
193.19557	5.3
195.11742	7.4
195.17477	8.2
197.13300	11.5
199.14821	4.6
201.03998	11.0
201.12756	8.2
201.16367	25.8
203.10645	6.2
203.14362	7.4
203.17981	51.7
205.15884	7.3
205.19608	5.8
207.11789	11.0
213.16446	7.6
215.07069	59.1
215.14369	6.1
215.17966	11.7
216.07442	7.8
219.04935	7.0
219.17455	19.2
221.19031	29.6
225.12758	11.9
227.17989	13.0
231.04970	9.0
231.17516	9.6
233.18929	13.5
241.12151	4.9
241.15881	11.5
243.13849	5.3
243.17461	7.5
245.19057	19.1
251.14290	4.9
257.19058	6.9
259.09689	100.0
260.09937	20.4
261.18478	5.8
263.20001	12.2
277.10754	71.6
283.20715	6.2
287.20221	9.0
293.19012	9.8
311.20023	31.2
329.21231	22.8
336.46762	4.7
347.22089	8.6
415.21228	13.2
433.22147	22.0
439.61902	4.6
451.23297	32.3
469.24573	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	469.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.3
67.05479	1.2
69.03432	0.9
69.62583	5.0
70.06595	3.8
70.53978	0.7
71.04981	2.6
72.08157	0.9
78.18192	0.7
79.05509	1.5
79.05926	0.7
81.07050	0.8
83.04969	0.9
84.08146	3.6
85.02897	2.2
86.09689	1.7
91.05457	2.5
93.05790	1.0
93.07034	2.4
94.06570	2.5
95.05025	0.9
96.08117	1.9
97.06504	1.3
103.05495	1.1
106.06531	1.0
108.08127	13.3
116.07033	1.2
118.06559	2.9
119.07333	4.1
120.08117	26.8
122.06030	2.5
123.08081	1.4
124.07584	8.9
126.09186	4.9
133.07616	1.8
136.07588	79.5
137.08382	0.7
138.09111	4.2
146.08435	1.5
148.07562	9.0
152.07077	2.6
161.05957	0.8
161.09447	0.8
162.09198	2.0
164.07083	38.1
166.08658	3.1
170.09605	1.0
171.69592	0.8
173.10844	0.8
183.10442	1.6
185.15463	0.8
186.11525	1.6
187.12210	4.6
198.12878	2.2
199.08739	1.5
210.11571	1.0
211.10030	1.1
213.10262	2.8
214.10976	6.4
215.07111	1.6
215.11929	6.5
215.15451	2.7
221.53307	0.7
225.13895	2.8
226.12318	5.0
227.11780	1.5
228.12564	6.4
231.10072	0.9
242.10582	1.4
242.14122	2.0
243.14951	54.5
253.13440	4.4
259.09726	1.4
261.16043	2.0
271.14429	64.1
277.10745	3.1
289.15491	100.0
290.15997	1.1
299.23444	0.7
307.12625	0.8
469.09952	2.7
469.16843	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	468.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01869	2.5
55.05522	1.1
57.03423	1.2
65.85828	1.0
67.05510	7.0
69.03416	1.9
69.07072	15.6
70.06599	2.2
70.64217	2.5
70.64550	1.2
71.04956	1.3
72.75421	1.0
73.65206	1.0
79.05498	10.4
81.03416	1.5
81.07048	2.5
83.04990	4.6
89.03914	5.9
93.07043	1.1
95.04972	5.7
97.06544	23.8
105.07043	1.8
106.53334	1.1
107.04976	3.2
107.11350	1.3
117.03391	7.9
129.07008	2.1
133.02856	1.3
134.03622	4.5
135.04416	16.3
145.02856	16.7
147.04477	1.3
156.05659	1.8
158.02670	1.4
159.04384	2.0
161.02438	1.3
163.03917	100.0
163.12550	1.1
166.71750	1.2
167.08568	2.0
173.02316	1.4
184.05206	2.7
185.06003	1.2
185.09749	1.7
191.03406	1.3
195.08067	2.6
198.06972	1.1
199.03859	1.3
213.09082	2.6
215.07045	1.7
217.05066	3.7
219.10104	1.1
221.50206	1.0
237.69498	1.1
241.08614	86.2
242.09026	1.6
250.69862	1.1
259.09674	87.3
427.03113	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03440	0.6
67.05490	0.6
69.03413	1.3
69.84378	2.5
70.06593	2.0
72.08169	1.0
79.05486	0.7
81.03376	0.5
81.07070	1.0
83.04976	0.4
84.08128	1.4
85.02914	1.4
85.64626	0.5
86.09716	0.8
87.04455	0.6
89.00298	0.4
91.05479	0.7
97.02893	0.7
98.21571	0.6
101.00871	0.6
121.10191	0.6
127.03918	0.6
129.10248	0.8
137.05968	0.6
138.21051	0.5
141.07005	1.2
147.70555	0.6
151.07616	0.6
155.79716	0.6
159.04430	1.2
159.08070	0.6
163.03949	0.7
169.06506	3.1
171.08052	0.5
173.05946	0.6
175.03783	2.3
185.11824	0.6
187.07549	2.3
195.08125	0.8
197.05948	3.0
200.04663	3.2
215.07047	10.6
233.08150	1.9
237.78426	0.5
241.08513	0.9
256.83542	0.6
259.09665	7.2
271.22751	0.6
277.10742	4.6
317.08472	8.1
337.09018	0.7
355.76154	0.6
368.42154	0.6
397.93869	0.5
469.13220	100.0
470.13403	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01867	1.6
55.05507	2.1
57.27232	1.4
58.68115	1.4
59.05007	2.6
65.03933	1.7
65.44749	1.4
67.05505	2.8
68.99821	1.5
69.03423	4.9
69.07066	2.4
70.82761	4.1
71.56934	1.4
77.54292	1.3
79.05504	15.6
81.03418	12.3
81.07070	30.1
85.02916	11.9
88.81436	1.5
91.05492	7.9
93.03425	3.9
93.07053	40.2
95.04980	3.9
95.08605	2.5
97.02911	3.6
97.06521	4.8
98.03696	1.9
99.04469	2.9
103.03941	3.5
105.03304	1.6
105.07025	6.5
105.49572	1.6
107.04946	4.4
107.08580	4.3
109.02887	5.5
109.06564	1.8
111.02235	1.4
111.04433	3.2
114.86126	1.5
116.07086	2.2
119.04972	1.6
119.08581	2.4
119.71624	1.4
121.06517	1.8
121.10165	26.2
122.05927	1.7
123.04422	2.8
123.08047	2.1
126.03146	2.8
127.03910	4.2
129.06998	1.6
131.04857	1.6
131.08597	3.0
131.99817	1.7
133.10089	1.4
137.05962	8.5
139.11179	2.6
141.05482	100.0
145.10208	1.6
149.09636	93.0
151.03944	3.1
151.07570	3.5
153.05437	6.7
157.10179	1.8
161.02408	1.3
161.06039	2.1
162.84587	1.3
163.03934	3.0
163.07399	1.5
165.05511	13.1
165.09186	2.5
167.10687	21.0
175.03891	3.3
177.05461	5.8
179.07101	3.5
183.06569	21.0
201.09113	2.8
203.07056	5.7
203.10669	1.5
207.06544	13.2
209.11661	2.8
215.07043	3.6
231.06561	23.3
249.07680	8.7
251.12811	12.4
259.09631	3.6
267.08691	2.3
269.13843	3.6
277.10703	3.5
293.13843	7.7
311.14868	10.0
311.68954	1.4
329.15945	4.9
355.07150	5.8
377.09271	1.8
395.10382	3.0
423.09888	2.3
425.12808	1.6
451.09100	5.8
469.10355	22.9
469.16583	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	468.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.4
57.81778	0.4
65.03940	0.4
67.05514	0.5
69.03442	1.0
69.10133	0.4
70.06580	1.8
71.04998	70.1
71.51791	0.7
72.08135	0.5
73.02923	0.4
81.03440	0.4
82.06582	0.5
83.05000	1.6
84.08152	6.5
85.02930	1.3
86.09731	0.7
93.07085	0.5
95.04976	0.4
97.02946	0.4
98.34372	0.4
110.07256	0.5
111.04453	1.0
112.18057	0.4
116.07110	1.1
127.03947	0.6
128.07072	0.4
130.08649	0.7
131.04977	0.4
136.07513	0.4
137.05978	0.4
147.04420	0.4
161.06004	0.5
164.07098	0.4
185.11780	0.4
196.00670	10.0
220.04337	1.0
220.09740	0.5
224.00139	23.5
225.00766	0.5
248.03754	2.5
266.04962	1.1
274.13095	0.4
276.03345	1.4
288.14520	0.5
294.04315	45.5
398.05624	0.7
422.09052	11.5
450.08481	1.9
468.09644	100.0
469.10016	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
57.03425	0.4
61.02902	0.5
65.25806	0.2
69.03432	1.9
69.26152	1.8
71.04996	0.2
73.02897	0.3
78.13837	0.2
81.03395	0.6
81.07029	0.3
84.44506	0.2
85.02914	2.3
87.04455	0.3
87.06237	0.2
91.05453	0.2
95.04927	0.2
97.02912	1.4
98.21554	0.4
99.04446	0.2
105.03403	3.1
105.07012	0.2
109.02876	0.4
115.05464	0.3
117.05759	1.0
120.04469	1.3
127.03902	0.6
129.04495	0.2
130.02911	0.4
130.06537	13.6
132.04514	0.9
132.05296	0.2
132.08060	0.2
142.06538	1.9
144.04404	0.6
147.05536	2.0
153.89343	0.2
155.05995	0.6
157.07596	1.8
158.06111	0.2
159.05537	0.4
160.07576	0.3
161.07156	0.2
169.07620	3.6
171.05521	0.5
183.05553	0.3
185.07123	0.6
204.07974	0.3
206.09660	1.6
216.08131	0.3
217.08862	1.2
218.09605	0.8
219.09196	0.2
231.09164	1.5
232.07637	0.5
232.09901	2.7
233.10751	9.5
234.09120	0.4
241.07697	0.3
242.08357	1.0
243.09187	1.8
244.10118	0.9
245.10805	4.0
247.08597	1.2
248.09523	0.2
258.07889	0.4
259.08664	5.4
259.10950	0.3
260.09430	1.4
260.11859	4.2
261.10263	16.8
262.10339	0.2
270.10339	0.5
271.08661	5.7
271.10803	0.2
272.53165	0.2
273.09021	2.2
276.11343	9.7
286.09753	0.6
288.11331	100.0
289.11621	1.4
306.12384	2.2
468.17694	12.6
469.18021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	8.4
57.03438	1.4
57.07084	27.2
59.04992	2.5
60.91304	0.7
61.07158	0.8
65.03942	2.1
67.05513	80.0
69.07079	5.9
71.04987	1.6
71.08644	18.3
76.53992	0.7
79.05504	2.1
81.07066	23.1
83.08633	10.6
85.06541	2.7
85.10201	10.6
89.06039	1.0
91.05495	5.2
93.07046	2.5
95.08624	20.2
97.10196	3.8
98.21533	1.7
99.08089	0.8
107.08591	1.6
109.10171	63.9
111.08099	2.3
111.11741	1.6
116.07092	1.0
119.08606	3.4
123.11717	3.4
125.13297	1.0
137.09654	2.9
137.13257	1.9
147.56479	0.7
148.21442	0.7
155.10716	4.5
173.11760	18.7
239.23721	6.0
248.16548	0.7
467.37408	100.0
468.37506	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.8
55.05516	10.2
57.03438	2.9
57.07081	32.7
59.04992	3.8
65.03932	1.3
67.05509	83.0
69.03420	1.1
69.07073	9.8
71.04984	2.6
71.08641	24.1
75.41032	0.9
76.55342	0.8
79.05477	3.0
81.06590	1.5
81.07062	21.5
83.08627	12.7
84.08965	1.2
85.06541	3.0
85.10184	10.9
89.06027	0.8
91.05486	5.1
93.07049	2.8
95.08617	21.8
97.10194	5.0
98.20765	1.7
98.21451	3.1
98.98480	5.6
99.11736	1.2
100.98955	1.0
107.08617	2.4
109.10165	63.7
111.08080	3.0
111.11726	1.4
119.08601	4.0
123.11716	3.0
124.81831	0.8
125.13194	1.2
132.55524	0.8
137.09573	2.0
137.13251	1.8
155.01027	4.6
155.10663	3.6
156.01164	0.8
157.01523	1.5
173.11760	20.3
221.22740	1.4
239.23686	6.7
311.26044	1.2
313.27209	10.8
449.25732	1.4
467.37366	100.0
468.37878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25279	0.3
56.96572	19.3
57.16074	0.3
65.16460	0.3
69.53960	1.1
69.54387	1.0
71.95273	3.1
72.96068	2.1
73.99435	0.3
81.00216	0.3
81.07027	0.4
84.08135	0.3
86.07243	0.3
86.82850	0.3
93.07036	0.3
97.96804	0.4
100.74528	0.3
105.00131	0.8
110.96905	0.3
110.97601	1.4
123.01170	0.9
127.00673	0.4
128.98584	0.6
137.02718	1.0
139.03865	0.5
146.37822	0.3
151.04193	0.6
155.03784	0.5
164.90309	0.3
177.05791	0.3
179.07460	0.5
195.06839	0.4
197.08522	0.6
199.06435	0.4
211.06387	0.4
219.10216	0.7
223.10075	4.8
229.07584	0.7
235.10052	7.2
241.11134	43.7
242.93098	0.3
247.08594	0.4
253.11133	82.2
254.11484	1.0
259.12204	33.0
264.12704	2.9
271.12186	100.0
272.12527	1.1
276.12811	2.1
282.13867	1.8
289.13165	2.3
294.13788	12.0
341.53433	0.3
467.26862	21.1
468.26917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.4
57.03445	9.6
57.07081	32.4
58.65300	0.9
67.05182	1.3
67.05514	17.7
69.07074	6.7
71.08247	1.3
71.08638	24.9
71.52395	1.0
75.04496	1.0
81.07066	14.0
83.08620	7.7
85.06519	0.8
85.10194	12.5
89.06049	1.4
91.05470	1.3
93.07079	1.6
93.65210	0.9
95.08620	16.8
97.10176	4.2
98.98476	39.7
103.07604	1.4
109.10172	10.7
111.11784	0.8
113.00004	1.7
115.67892	0.9
123.11718	2.7
137.00008	3.1
155.01057	44.4
169.02684	1.0
173.11708	2.1
176.34079	0.8
211.03688	1.6
222.76282	1.0
229.04724	2.6
239.23665	5.9
260.10364	0.9
301.15140	0.8
313.27383	100.0
338.27844	4.4
393.23990	3.7
435.83408	0.9
449.26669	15.6
467.37262	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	467.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36396	0.6
53.15855	0.6
55.05515	8.3
57.03434	2.6
57.07083	35.5
59.05005	2.6
60.49339	0.6
65.03950	2.0
66.75742	0.6
67.05511	89.9
69.07073	8.7
69.07436	1.1
69.74481	1.4
69.74886	2.1
71.05007	2.6
71.08235	1.2
71.08640	24.6
79.05503	2.2
81.06587	1.3
81.07065	23.2
83.08629	13.0
85.06550	3.0
85.10188	11.1
89.06001	0.9
91.05477	4.6
93.07062	2.6
95.08617	23.2
97.10188	3.8
97.40548	0.6
98.21445	0.7
98.98490	3.7
99.08088	0.8
99.11747	1.0
107.08617	2.3
109.06493	0.8
109.10165	69.9
111.08105	1.4
111.11717	1.2
117.90659	0.8
119.08593	4.8
123.11707	4.2
125.13255	0.6
128.06239	0.6
137.09636	2.1
137.13278	1.9
155.01044	3.5
155.10735	3.7
173.11760	20.0
173.13188	1.2
221.22606	0.8
239.23712	8.6
279.98611	0.7
313.27377	10.4
341.26651	0.8
354.35843	0.6
449.26709	1.5
467.37375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
57.03453	0.7
58.06601	10.2
61.02929	0.9
69.03432	5.0
70.06590	1.5
70.91640	0.4
71.04993	1.3
71.53297	0.7
72.08169	0.5
73.02925	0.9
73.55764	0.5
81.03414	3.0
83.04969	0.4
84.08149	0.9
85.02908	11.5
86.09721	1.3
87.04460	2.2
91.03941	0.5
91.05469	0.5
97.02895	3.7
99.04472	0.8
101.02419	0.5
103.03949	0.9
103.05446	0.6
103.99699	0.4
109.02876	2.3
109.14792	0.5
111.04475	0.4
115.03938	5.4
115.05470	2.7
117.05771	1.3
120.08112	1.4
123.04439	0.8
124.03948	1.3
125.04330	0.5
127.03907	6.4
130.06502	0.5
131.04958	0.6
132.08083	4.6
133.05151	1.0
133.06459	0.5
134.06041	1.1
136.07619	0.8
137.02315	1.0
137.05971	2.1
139.03909	3.3
142.06511	1.4
143.07338	1.2
145.04959	4.4
146.05981	2.6
147.04445	1.1
148.07574	26.1
151.03906	2.8
152.04265	1.7
154.05070	0.8
159.06726	0.6
160.07584	100.0
171.07962	0.5
172.07588	1.7
174.09206	1.1
184.07591	1.8
190.08632	3.4
191.11792	10.2
199.07661	0.5
201.09113	0.5
202.08646	4.1
214.08623	1.6
226.08542	0.7
244.09663	0.4
245.04674	0.4
256.09720	1.2
259.08200	1.4
286.10748	0.6
287.05566	0.5
294.04324	0.6
303.04990	0.6
304.05072	0.5
305.05811	1.5
305.10056	0.9
306.49277	0.5
322.12766	1.8
331.17072	0.4
353.17041	1.5
390.35294	0.5
406.15030	1.1
424.16083	0.7
436.15903	0.7
450.32040	0.5
467.20099	57.0
468.20648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1708
Annotation	TAN 1030A
Peak:m/z	Relative Intensity
55.05506	0.8
57.03421	0.5
57.07055	1.2
58.06608	0.5
66.60861	0.5
67.05515	4.9
69.07063	0.5
71.08607	0.5
71.52628	0.7
79.05476	1.4
81.06643	0.6
81.07066	4.9
83.08647	0.7
91.05480	1.5
93.07044	0.7
93.12738	0.6
95.04986	0.7
95.08601	1.5
98.98471	1.5
105.07040	1.9
107.04951	1.2
107.08601	1.8
109.06512	1.0
109.10172	1.4
121.06501	2.1
125.02411	0.7
126.58134	0.5
133.06505	0.6
133.10118	0.5
135.04445	5.7
137.08206	0.5
139.00273	0.6
149.05975	0.7
152.04791	0.5
153.01854	1.0
155.01082	0.9
155.03429	2.9
157.06551	0.6
161.05962	3.2
168.00610	0.8
169.01364	8.1
175.07564	0.6
179.00174	0.5
181.01299	1.2
185.06018	1.1
187.07748	0.9
189.05298	0.8
213.05484	0.5
217.04996	0.9
228.04123	1.1
229.05017	1.0
230.14343	0.6
231.06563	0.6
236.03230	0.6
242.05750	0.7
245.04480	1.2
246.05199	3.3
257.04468	1.9
271.06143	0.7
274.04761	5.5
285.04016	4.2
287.05530	11.9
288.06332	1.3
301.03400	0.7
302.04214	5.7
313.27332	2.3
315.05020	20.4
316.02078	0.7
316.05820	20.5
317.06613	100.0
318.07050	0.7
358.95605	0.5
442.89011	0.5
467.17084	99.2
467.37466	2.2
468.17352	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	467.1557
Annotation	Symplocoside
Peak:m/z	Relative Intensity
52.12523	0.5
54.40611	0.5
55.01875	1.0
57.03417	0.7
61.02916	1.3
61.96302	0.5
65.03944	0.7
67.05505	0.7
69.03444	2.6
69.41434	0.5
69.41774	3.9
70.06599	0.9
71.05025	0.5
79.05486	0.8
81.03427	1.7
81.07067	0.6
82.64639	0.5
83.04996	0.5
83.99065	0.5
85.02917	8.4
91.05498	1.0
91.36575	0.5
93.03425	0.5
94.04219	0.5
95.04978	1.8
97.02908	3.9
97.38744	0.5
99.04444	0.7
103.05454	0.5
109.02884	0.8
111.04448	1.8
119.04979	2.7
120.08144	0.8
122.03676	1.9
127.03931	1.8
133.06541	0.6
135.04448	1.1
136.03952	1.4
137.05995	64.1
138.06374	0.6
139.03918	100.0
140.04192	0.5
140.26747	0.5
143.04979	0.6
145.04993	1.6
147.04427	18.3
151.03978	3.5
151.05074	0.9
152.04312	0.8
160.05324	0.5
160.07686	0.7
161.05975	1.6
163.03929	6.7
175.07597	2.0
177.05490	1.2
179.07054	8.2
181.04973	2.5
191.76433	0.5
193.04965	0.6
193.08597	1.0
203.07100	0.6
205.04988	2.6
221.08075	2.7
235.06064	0.5
247.06224	0.8
265.07224	0.8
287.09235	2.7
301.09207	1.8
303.05148	1.1
304.05310	0.5
305.05692	1.1
305.10226	17.0
329.10294	0.9
433.40463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1551
Annotation	Symplocoside
Peak:m/z	Relative Intensity
51.95481	0.7
53.03938	1.1
54.67268	0.6
55.01870	1.2
57.03437	1.6
58.06599	2.6
61.02921	0.6
63.51696	0.6
65.03939	1.8
67.05511	1.3
68.99811	1.2
69.03443	4.7
70.06598	1.7
71.04994	1.0
71.53071	0.8
72.08155	0.8
72.88292	0.7
73.02913	0.6
78.03448	2.5
79.03806	0.6
80.05023	0.7
81.03419	3.9
82.03764	1.1
83.01324	0.7
83.04951	0.9
85.02435	0.9
85.02912	11.9
85.15671	0.6
86.09682	1.4
91.05480	1.4
93.03415	1.2
94.04216	0.7
95.04961	2.0
96.04484	0.9
97.02903	4.0
97.06555	0.9
99.04448	1.3
106.02916	8.5
107.03281	3.0
109.02872	3.1
110.03241	0.6
111.04461	3.6
119.04971	2.3
120.08086	1.0
122.03640	2.4
123.04420	1.4
124.03970	13.6
124.04829	1.1
125.03580	0.7
125.04327	6.0
125.06061	0.6
127.03905	3.9
127.57472	0.6
133.06479	1.1
135.04446	1.5
136.03964	0.8
137.02422	1.3
137.05989	72.4
137.28137	0.6
138.06316	1.1
139.03917	100.0
140.04691	2.8
141.05058	1.3
141.67679	0.7
143.04979	1.2
145.05014	1.6
147.04427	20.9
149.06026	2.0
151.03905	3.5
153.05453	1.2
154.04944	1.0
160.07608	3.8
161.06003	1.2
163.03914	8.9
170.37863	0.6
171.06575	0.7
175.07584	2.7
177.05583	1.5
179.07088	8.2
181.04974	27.8
182.05327	16.9
193.08728	1.5
199.07643	0.8
205.05034	2.8
221.08139	2.1
235.06050	0.8
247.06015	0.9
250.07002	1.4
251.07491	2.6
265.07007	1.4
268.08224	3.6
269.08530	5.3
287.06152	0.8
287.09119	3.8
299.09192	0.7
301.09219	2.0
303.05017	1.8
304.05276	1.5
305.05789	3.7
305.10205	16.3
371.11771	0.8
467.12631	0.8
467.24271	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	467.1189
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
52.44891	2.2
56.04094	2.1
57.03438	6.1
62.25154	2.1
64.32592	2.0
65.03941	4.1
67.05489	2.0
69.03422	2.5
69.79533	7.9
69.79958	3.4
70.06599	4.8
78.30795	2.1
81.03407	3.0
85.02911	17.0
95.04984	3.7
97.02901	7.0
98.21657	2.2
100.05925	2.3
107.04961	2.7
109.02905	3.5
116.07094	2.6
121.02879	100.0
123.04443	5.1
135.00722	2.2
135.04440	6.7
141.05464	12.6
146.06017	3.4
147.04416	4.0
149.02353	3.5
151.03923	6.5
153.01857	26.0
163.03925	12.0
164.77785	2.1
165.01857	32.0
171.02904	3.3
177.01851	9.7
179.03355	5.7
183.02986	11.0
187.03845	3.5
188.07098	2.8
189.01857	4.1
191.03442	18.0
195.02908	62.0
203.03471	2.7
205.05049	2.9
207.02934	2.4
215.03479	3.1
219.02901	33.9
231.02940	7.3
249.03975	15.9
261.03973	9.6
271.05960	5.4
279.05133	8.8
283.06049	7.3
297.06067	33.2
301.07135	3.8
311.05432	6.2
315.07138	26.9
325.07089	4.6
329.06613	17.1
344.61313	2.3
353.06631	4.1
383.07819	2.2
408.63284	2.5
431.09485	2.6
450.16504	2.0
467.18478	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	467.1553
Annotation	Symplocoside
Peak:m/z	Relative Intensity
54.27832	0.5
54.76871	0.5
54.96289	0.5
55.01876	1.1
58.06593	2.2
58.17736	0.5
65.03918	1.1
67.05499	1.0
68.99772	1.0
69.03413	1.5
71.52388	0.8
74.71122	0.4
74.73806	0.5
81.03445	0.7
84.08163	0.6
84.37324	0.5
85.02913	4.6
91.05474	1.0
93.03376	0.8
94.04181	0.8
95.04967	1.7
97.02889	1.5
105.07014	0.6
107.04988	0.5
109.06480	0.6
110.07185	0.7
111.04438	1.9
113.03529	0.5
115.05466	0.7
119.04964	2.4
119.08645	0.5
122.03637	1.8
123.04436	1.4
124.04003	0.7
127.03947	1.3
133.06552	0.9
135.04443	1.6
137.02368	1.7
137.05989	59.3
139.03912	100.0
143.04922	1.6
145.04919	0.9
147.03239	0.9
147.04424	18.2
148.07607	3.3
151.03934	9.8
151.05052	1.1
152.04257	4.7
152.05345	0.7
153.01842	1.5
153.05498	0.8
154.04996	3.5
155.05374	1.8
160.07584	7.5
161.06009	1.7
163.03925	5.9
165.09251	0.6
166.53348	0.5
167.07083	0.7
175.07523	2.8
177.05490	0.9
179.07051	7.7
181.04994	2.3
182.50937	0.6
191.11775	0.9
193.04938	0.5
193.08632	1.8
205.05017	1.2
216.91609	0.5
217.04929	0.6
221.08051	2.6
231.06526	1.1
259.06006	0.7
280.08243	0.6
281.08624	1.0
287.05661	0.7
287.09085	0.9
296.45087	0.5
299.09280	0.5
305.06671	1.5
305.10168	20.0
373.30325	0.5
417.64120	0.5
467.19965	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	9.8
57.03444	6.0
57.07074	5.1
61.12004	1.2
61.62331	1.2
67.05513	28.4
69.07079	15.8
69.63146	6.2
69.63564	2.3
71.08633	2.4
79.05505	7.6
81.07069	25.0
83.08627	7.1
89.06025	1.4
91.05485	4.8
93.07059	6.9
95.08616	22.5
97.10172	3.8
99.08125	1.2
105.07036	5.1
107.08598	5.0
109.10168	8.5
111.08102	1.4
113.00034	26.9
119.08566	3.5
121.10145	3.8
123.11738	4.1
133.08618	1.5
133.10159	3.6
135.11702	2.1
147.11644	1.5
161.13206	2.0
169.02643	25.6
203.59772	1.4
218.41443	1.1
245.22890	3.2
259.82578	1.2
263.23801	5.5
304.05399	2.8
324.41827	1.5
337.27408	100.0
404.34479	1.6
437.87524	1.4
443.10495	2.2
448.35703	3.2
466.37305	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19949	0.3
71.50880	0.6
72.55661	0.4
77.06140	0.3
98.97609	2.0
100.67879	0.4
116.98648	0.8
180.96854	0.5
192.98924	0.6
198.97890	0.7
216.98953	3.8
219.02072	0.6
222.97961	1.4
223.98593	0.7
235.00026	6.4
236.00293	0.5
240.98949	10.4
241.98987	0.7
247.43967	0.3
253.01048	0.8
259.00027	38.4
260.00189	2.7
261.00189	0.7
261.03140	1.3
264.98767	3.0
273.98718	1.0
277.01065	18.5
278.01208	1.5
279.01099	0.5
283.00018	94.1
284.00143	6.3
284.99805	0.8
291.99808	0.4
301.01077	100.0
302.01196	6.9
303.01089	1.1
319.02097	3.4
324.02814	1.8
343.02292	0.7
359.00131	0.8
364.99133	1.2
383.00024	1.6
401.01324	4.2
402.01398	0.7
406.99997	5.9
408.00363	0.7
425.01187	52.1
426.01318	5.0
443.02277	96.7
444.02374	8.6
445.02374	1.0
461.03281	0.6
466.03888	3.8
467.02701	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
53.03956	2.0
55.01887	0.8
55.05527	0.3
57.03451	0.8
58.06614	0.4
61.02925	0.4
65.03947	4.1
67.05518	1.9
68.99821	0.3
69.03436	5.3
70.06603	0.9
70.68734	0.7
71.05003	0.6
73.02924	0.3
75.96236	0.3
78.03461	7.2
79.05509	0.5
80.05036	1.6
81.03428	8.2
81.07046	0.4
82.04207	1.2
83.05000	0.5
84.08167	0.5
85.02916	6.4
91.05482	0.6
93.03418	1.6
93.07056	0.7
95.04963	2.5
96.04477	1.4
97.02907	3.3
97.06541	1.2
99.04469	1.9
105.07077	0.5
106.02929	27.5
107.05003	0.3
108.02120	0.7
109.02894	4.8
110.03676	2.3
111.04482	1.1
116.07133	0.7
120.08104	0.4
122.02737	0.3
123.04466	1.4
124.03972	48.3
125.02366	0.8
125.06015	1.6
125.74529	0.3
127.03936	3.7
136.03943	2.9
137.02443	0.4
137.06006	3.2
138.03131	1.0
139.03914	1.7
140.03615	0.5
140.04701	7.9
141.01833	0.3
142.02663	1.9
147.04405	0.3
147.11751	0.6
151.03932	2.9
151.04982	0.4
153.05438	1.8
154.05009	7.2
155.07088	1.9
163.03954	0.8
164.07249	0.3
166.05054	1.5
171.06548	2.8
172.61272	0.4
181.04977	100.0
182.05394	0.6
183.66971	0.3
196.06119	0.4
199.06006	0.7
214.67317	0.3
232.06055	0.6
250.07140	14.9
256.59311	0.3
265.07147	1.4
268.08188	25.3
280.05463	0.3
280.07922	1.6
298.09439	0.8
303.04950	3.3
304.05377	7.9
304.15375	0.3
309.81305	0.3
430.11276	1.3
430.80679	0.3
446.25229	0.3
448.12231	2.3
466.13113	5.1
466.24054	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38430	0.5
53.03957	1.1
55.01856	1.0
55.05506	1.4
57.03435	6.5
57.07077	2.8
58.47685	0.5
59.04995	2.2
60.04528	0.6
61.02925	1.3
65.03938	0.7
66.75177	0.5
67.05508	6.4
69.03434	23.3
69.07066	5.2
70.06591	0.9
71.52424	0.7
71.52840	0.7
72.08185	1.0
73.02901	1.3
75.04491	0.7
79.05499	7.9
81.03409	1.8
81.07060	100.0
82.07387	0.7
83.04990	0.9
85.02909	18.2
87.04475	17.9
91.03938	1.1
91.05503	1.4
93.07056	1.7
95.04981	1.1
95.06040	0.6
95.08616	20.3
97.02896	21.6
97.06513	0.8
99.04475	1.4
105.07047	1.2
106.07385	0.6
107.04969	0.7
107.08595	1.5
109.10188	2.5
111.04460	0.7
111.08125	0.8
111.11729	1.4
112.07587	0.9
115.03938	31.2
115.19781	0.6
117.03421	0.8
119.08578	1.1
121.10170	0.8
123.04471	0.8
123.11725	0.9
127.03933	2.3
129.07069	0.6
132.04523	1.0
133.04976	34.4
134.05980	0.8
135.04402	1.3
135.11678	0.9
137.13257	22.9
139.03918	0.7
145.02913	1.2
145.04976	3.5
146.63045	0.7
146.96066	0.5
150.07625	5.8
155.14294	1.7
159.04323	0.6
159.11714	1.0
161.02338	0.7
162.05534	0.8
163.03925	4.2
163.05974	0.8
169.04950	0.9
173.02383	1.6
175.06210	0.6
177.05557	1.0
183.06400	0.7
215.07040	0.9
241.07123	1.4
256.09760	3.6
259.08194	2.5
269.17899	0.7
274.10739	6.3
277.09338	1.4
284.86551	0.6
295.10364	2.6
303.05045	1.8
304.05341	5.3
448.35367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.5
53.03942	2.0
55.01870	0.6
57.03432	0.4
65.03947	3.4
65.50902	0.3
67.05531	1.6
69.03440	4.2
70.06601	0.7
70.49114	0.9
71.05028	0.4
78.03465	8.3
80.05012	1.5
81.03428	7.7
82.04227	1.1
85.02915	5.6
93.03419	1.0
95.04977	2.2
96.04485	1.2
97.02909	3.2
97.06551	1.1
99.04452	1.9
106.02927	26.9
108.02114	0.7
109.02887	4.4
110.03698	1.8
111.04459	0.4
116.07066	0.7
121.02876	1.0
123.00838	0.4
123.04454	1.1
124.03967	49.4
125.02384	0.7
125.04330	0.5
125.06001	1.2
127.03922	3.5
138.03130	1.2
139.03896	0.4
140.04700	8.5
142.02650	1.8
145.05003	0.5
151.03902	0.4
153.05473	2.3
155.07053	1.9
166.05048	1.0
171.06554	2.0
181.04974	100.0
182.05333	0.5
199.06029	1.3
208.06111	0.4
250.07121	13.7
265.07056	1.3
267.90579	0.4
268.08191	24.5
290.48987	0.4
299.05154	0.4
374.80515	0.3
430.11163	1.2
448.12418	1.8
466.13464	5.3
488.40707	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65734	0.6
53.03944	1.0
55.01868	1.1
55.05518	33.9
57.03441	2.1
57.07083	10.7
59.05008	3.1
65.03951	1.4
67.05511	77.6
69.03412	0.8
69.07076	30.0
70.23799	0.6
71.04997	2.8
71.08636	8.4
71.17282	0.6
71.52444	0.8
79.05510	2.0
81.07068	12.4
81.93517	0.6
83.08627	30.2
85.06573	0.9
85.10203	2.3
89.06049	0.9
91.05469	4.6
93.07069	2.3
95.08616	4.7
97.10183	22.6
101.91183	0.6
107.08617	1.7
109.10166	64.6
111.08060	3.1
111.11736	7.6
113.09710	0.6
119.08595	5.0
125.13243	3.0
137.09641	3.0
155.10675	4.2
173.10251	1.4
173.11751	27.8
187.37703	0.6
187.63008	0.6
188.90974	0.8
193.31586	0.6
237.22177	2.3
303.05051	2.0
384.67407	0.7
465.35818	100.0
466.36298	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01867	0.4
58.06572	0.4
59.68335	0.3
64.11500	0.3
65.03952	0.6
67.05506	0.4
68.01384	0.3
69.03442	1.5
69.07088	0.3
69.97462	0.3
70.06581	0.9
71.52214	0.4
71.52583	0.3
72.08157	0.7
72.41519	0.3
73.42071	0.3
73.89418	0.2
78.61040	0.3
80.05020	0.6
81.03409	0.8
81.07074	0.3
83.01336	0.3
83.04988	0.3
84.08147	1.1
85.02914	2.0
92.05019	6.1
93.07066	0.3
95.01327	0.3
95.02473	0.6
95.04949	0.3
97.02887	0.4
99.04459	0.8
106.02922	0.8
107.04970	0.4
108.02099	0.4
108.04462	1.9
109.02886	1.0
110.07172	0.9
111.51640	0.3
116.07107	0.6
119.08581	0.3
120.08125	0.5
123.04416	0.4
124.03952	2.4
124.07549	0.4
125.05996	0.4
127.03894	1.3
130.08658	0.3
136.03957	6.7
136.05070	2.4
137.06017	0.8
139.03914	0.7
141.05467	0.4
145.04985	0.5
147.04346	0.3
151.03922	21.7
151.04996	1.4
152.04283	0.5
154.05006	100.0
154.06009	3.7
155.05338	0.8
160.07652	0.4
163.04013	0.5
167.07074	0.6
226.07202	0.3
239.27956	0.3
242.09113	0.3
280.08188	28.9
281.08514	0.4
298.09155	4.7
303.04855	0.4
304.12619	0.8
353.59329	0.4
424.42261	0.4
466.14529	3.1
466.24542	0.3
467.18707	0.9
478.62823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53994	1.1
53.67881	1.0
55.01888	7.8
55.05267	1.6
55.05516	20.3
57.03445	8.9
57.07086	11.1
67.05511	9.3
67.40926	0.9
69.07079	24.2
71.08639	8.4
73.02919	5.4
79.05506	5.5
81.07076	10.1
83.08622	19.3
84.04523	1.3
85.10208	4.6
86.27044	1.1
89.06037	2.3
93.07095	4.6
95.04981	0.9
95.08616	6.3
97.06542	4.2
97.10190	14.5
98.98478	50.4
107.08597	3.1
109.06647	0.8
109.10162	4.1
111.08105	1.4
111.11730	3.6
116.99510	1.4
121.10152	4.5
123.11751	1.1
125.09684	1.0
129.05457	1.9
133.08655	1.4
135.11705	3.8
137.00026	2.5
137.13245	1.5
149.13316	1.7
155.01060	50.7
158.77362	0.9
163.14789	0.9
211.03699	1.7
211.77145	0.8
219.21191	1.4
224.03752	1.0
229.04846	4.6
237.22137	10.0
255.23256	1.1
303.04962	9.8
311.25842	100.0
312.26105	2.3
391.22586	1.4
415.29614	1.0
447.25174	21.7
465.35632	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	465.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	8.6
55.01878	8.7
55.05518	2.9
57.03441	10.9
61.02925	8.5
67.05504	3.9
68.99792	3.6
69.03084	2.5
69.03439	39.6
69.07060	2.4
70.06592	2.0
71.05004	20.1
71.52333	1.4
72.05315	1.4
73.02925	19.1
79.05498	3.8
81.03426	42.7
81.07065	4.3
83.01364	1.5
83.04967	1.8
84.08153	2.6
85.02917	73.1
85.06552	1.5
86.03245	3.9
86.09716	3.2
86.66000	1.2
87.00838	24.9
87.03329	1.7
87.04470	3.5
91.03964	2.8
91.05486	5.0
93.07043	3.3
95.04958	2.1
95.08615	3.9
97.02896	22.1
97.06554	2.1
99.04474	16.0
103.03960	1.5
105.01878	16.2
105.07036	4.3
107.08583	3.8
109.02893	41.0
109.03601	2.4
109.10165	4.4
111.04489	1.5
114.09183	2.2
115.05479	5.2
117.01852	3.8
117.07050	10.8
119.08604	1.6
121.10132	1.6
127.03935	60.4
128.06233	9.7
129.01866	5.5
129.05537	2.6
129.07025	40.5
130.05872	1.3
130.08638	2.0
131.04958	1.9
133.10062	1.8
137.02362	3.2
137.06009	1.8
140.79012	1.5
143.08578	9.0
145.04993	16.6
145.06506	78.4
145.10164	1.4
147.02879	5.2
147.11670	1.4
153.01857	12.6
155.08597	2.0
156.09282	2.0
157.05228	2.6
157.06512	37.4
158.07315	2.3
159.02916	20.6
159.08105	1.8
165.01855	2.9
169.06537	6.4
170.07281	3.5
171.02971	1.5
171.08063	8.2
171.11729	10.0
177.05470	5.6
181.10152	3.3
183.08180	2.6
184.08832	6.4
185.28542	1.4
187.07526	6.7
189.03989	1.6
195.02940	1.8
197.09586	1.3
199.11205	59.4
199.14961	1.9
201.05444	1.5
203.17978	2.0
208.19102	1.3
211.11108	3.1
213.03952	2.4
217.08539	1.6
217.12259	18.0
229.04965	5.2
231.04945	9.5
241.12312	4.6
245.49455	1.3
253.08574	1.5
257.04422	3.3
259.09558	2.0
259.13370	3.3
267.19571	2.2
285.03888	1.8
285.12262	1.6
303.05066	100.0
303.08630	9.6
304.04736	3.8
307.13354	2.8
317.06589	13.7
318.06952	15.8
319.07175	33.8
375.10675	1.7
465.17651	2.0
465.35104	1.9
488.44559	1.2
491.63245	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	8.6
55.01878	8.7
55.05518	2.9
57.03441	10.9
61.02925	8.5
67.05504	3.9
68.99792	3.6
69.03084	2.5
69.03439	39.6
69.07060	2.4
70.06592	2.0
71.05004	20.1
71.52333	1.4
72.05315	1.4
73.02925	19.1
79.05498	3.8
81.03426	42.7
81.07065	4.3
83.01364	1.5
83.04967	1.8
84.08153	2.6
85.02917	73.1
85.06552	1.5
86.03245	3.9
86.09716	3.2
86.66000	1.2
87.00838	24.9
87.03329	1.7
87.04470	3.5
91.03964	2.8
91.05486	5.0
93.07043	3.3
95.04958	2.1
95.08615	3.9
97.02896	22.1
97.06554	2.1
99.04474	16.0
103.03960	1.5
105.01878	16.2
105.07036	4.3
107.08583	3.8
109.02893	41.0
109.03601	2.4
109.10165	4.4
111.04489	1.5
114.09183	2.2
115.05479	5.2
117.01852	3.8
117.07050	10.8
119.08604	1.6
121.10132	1.6
127.03935	60.4
128.06233	9.7
129.01866	5.5
129.05537	2.6
129.07025	40.5
130.05872	1.3
130.08638	2.0
131.04958	1.9
133.10062	1.8
137.02362	3.2
137.06009	1.8
140.79012	1.5
143.08578	9.0
145.04993	16.6
145.06506	78.4
145.10164	1.4
147.02879	5.2
147.11670	1.4
153.01857	12.6
155.08597	2.0
156.09282	2.0
157.05228	2.6
157.06512	37.4
158.07315	2.3
159.02916	20.6
159.08105	1.8
165.01855	2.9
169.06537	6.4
170.07281	3.5
171.02971	1.5
171.08063	8.2
171.11729	10.0
177.05470	5.6
181.10152	3.3
183.08180	2.6
184.08832	6.4
185.28542	1.4
187.07526	6.7
189.03989	1.6
195.02940	1.8
197.09586	1.3
199.11205	59.4
199.14961	1.9
201.05444	1.5
203.17978	2.0
208.19102	1.3
211.11108	3.1
213.03952	2.4
217.08539	1.6
217.12259	18.0
229.04965	5.2
231.04945	9.5
241.12312	4.6
245.49455	1.3
253.08574	1.5
257.04422	3.3
259.09558	2.0
259.13370	3.3
267.19571	2.2
285.03888	1.8
285.12262	1.6
303.05066	100.0
303.08630	9.6
304.04736	3.8
307.13354	2.8
317.06589	13.7
318.06952	15.8
319.07175	33.8
375.10675	1.7
465.17651	2.0
465.35104	1.9
488.44559	1.2
491.63245	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1373
Annotation	Keyakinol
Peak:m/z	Relative Intensity
55.05527	0.6
61.02925	1.0
64.76333	0.4
67.05510	0.7
69.03418	1.4
69.07092	0.9
71.52360	0.7
72.08167	0.7
73.02917	0.6
78.66882	0.5
79.05518	0.5
81.03458	0.5
81.07053	2.6
84.04491	0.4
85.02924	2.4
86.09706	0.6
86.80915	0.5
91.03920	0.8
91.05479	1.1
93.07061	1.1
95.04961	0.8
95.08599	0.7
97.02898	1.4
97.06534	0.9
99.04431	0.6
105.07052	1.4
105.65002	0.5
107.08624	0.8
109.02880	0.7
109.10179	0.8
119.08595	1.0
121.02849	0.9
121.10118	1.0
123.11721	0.5
127.03942	1.1
133.10130	0.6
137.02338	0.8
137.89723	0.5
139.03947	0.6
145.10083	0.6
147.08200	0.6
147.11731	1.2
151.03979	0.8
153.01880	1.0
185.04201	0.7
201.05336	1.6
216.07596	11.1
217.08363	8.9
227.05254	1.2
229.04990	0.8
267.15811	0.6
271.04343	2.7
280.15283	0.5
285.17014	1.3
295.10431	0.6
303.01563	1.1
303.05026	20.2
337.55856	0.5
362.10562	0.6
379.13626	4.2
421.14755	29.4
465.13751	100.0
466.13980	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	465.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97803	1.2
53.03931	1.9
53.82653	1.3
55.01882	1.5
55.98813	1.1
57.03420	2.7
58.06595	1.4
61.02921	3.9
68.99778	1.5
69.03438	5.8
70.06586	1.7
71.16412	2.7
73.02912	1.9
77.33034	1.4
81.03426	7.1
84.08122	1.1
85.02907	31.9
88.98884	1.3
91.04009	1.5
95.04953	3.1
97.02894	9.0
99.04461	2.9
103.03948	3.9
107.04917	3.1
109.02893	8.6
109.06501	3.3
118.06528	1.6
123.04411	4.5
123.08075	1.9
124.03963	1.5
125.05975	1.8
126.03132	2.2
127.03919	5.2
133.06477	1.6
137.05981	22.3
141.05469	100.0
144.08104	1.9
145.05006	6.5
146.06013	6.0
151.03926	6.8
151.07574	7.6
153.05470	48.0
154.04976	2.5
161.05966	4.7
162.89531	1.2
163.03767	2.4
165.05481	57.9
175.07500	1.6
177.05505	18.4
179.07048	11.4
181.04939	2.0
183.06538	38.8
186.11638	1.2
188.07076	9.8
189.05501	3.5
191.07083	2.0
199.04427	1.3
201.05400	1.7
203.07036	5.7
205.04938	2.5
205.09715	5.6
207.06546	38.3
219.06502	4.3
231.06483	7.4
237.07684	6.0
245.04736	1.7
249.07570	12.2
267.08646	25.1
285.09689	8.2
287.73822	1.4
300.11771	1.5
303.05377	6.1
303.10754	25.2
347.08380	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
55.01882	0.5
55.05519	0.1
55.49523	0.1
57.03445	0.8
57.04120	0.1
59.04992	0.1
61.02650	0.1
61.02934	1.4
65.03939	0.2
67.01858	0.1
67.05484	0.3
68.99786	0.9
69.03435	3.2
69.41964	0.3
69.42400	0.3
70.06577	0.2
71.01342	0.1
71.04998	0.5
72.08138	0.3
72.44312	0.1
72.65408	0.1
73.02935	0.5
79.05497	0.1
81.03426	1.7
81.07040	0.3
83.01345	0.2
85.02911	9.1
86.09695	0.2
86.17627	0.1
87.04462	0.4
91.03968	0.6
91.05464	0.1
93.03413	0.4
93.07028	0.2
95.04961	0.3
95.08612	0.5
97.02900	3.6
99.04453	0.5
101.02402	0.1
105.07010	0.1
107.04944	0.1
107.08587	0.2
109.02880	1.2
109.10139	0.2
111.00794	1.0
111.04460	0.1
111.37511	0.1
116.07094	0.2
117.05468	0.1
117.07002	0.1
120.08106	0.1
121.02871	1.1
121.10159	0.1
123.04450	0.4
123.11704	0.4
127.03926	1.9
131.04913	0.1
133.02850	0.1
133.06490	0.1
133.10133	0.1
135.04404	0.3
137.02347	3.7
137.03407	0.2
137.05969	0.1
145.02943	0.1
145.04973	1.7
145.06467	0.2
149.02394	0.5
149.09578	0.1
149.13197	0.1
151.03922	0.1
151.11185	0.2
153.01834	4.3
153.07489	0.1
155.04918	0.2
157.06529	0.1
159.04402	0.2
161.06007	0.3
163.03905	0.7
165.01837	2.2
166.02635	0.3
167.03453	0.1
169.12276	0.2
173.05997	0.6
177.01817	0.1
179.03354	0.1
182.08989	0.1
183.02888	0.7
183.04430	0.4
187.03960	0.4
191.03491	0.1
191.06937	0.1
194.02109	0.1
195.02921	0.2
201.05489	1.9
205.05066	0.2
207.02953	0.1
211.03993	0.2
213.05531	0.1
215.03242	0.1
219.03021	0.1
219.06548	0.3
228.04158	0.3
229.04988	4.9
232.03801	0.1
239.03363	0.2
247.06049	0.6
257.04474	2.9
274.04782	0.7
275.05481	0.3
282.20584	0.1
284.21753	0.2
285.03976	1.4
302.23157	0.2
303.05002	100.0
304.05392	0.9
315.04990	0.3
316.06174	0.1
341.14560	0.1
345.05945	0.3
369.05997	0.1
465.10043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1033
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.94321	0.3
53.03948	0.8
55.01889	0.5
57.03424	0.8
61.02942	1.6
68.99780	0.9
69.03436	3.8
70.06605	0.7
71.04987	0.6
71.44277	0.2
71.44659	0.4
72.08149	1.0
73.02940	0.5
79.05499	0.7
81.03427	2.1
81.07062	0.6
83.05016	0.3
84.08099	0.3
85.02915	9.9
87.04448	0.3
91.03954	0.5
91.05442	0.3
93.03458	0.3
95.04961	0.4
95.08624	0.3
97.02901	3.8
99.04469	0.6
105.07053	0.4
107.08599	0.4
109.02911	1.2
111.00809	0.9
121.02882	1.3
127.03935	1.7
128.07086	1.1
129.07428	0.3
137.02357	3.4
144.35815	0.3
145.04950	1.8
145.06512	0.2
148.77795	0.3
149.02296	0.3
149.09662	0.5
151.03970	0.6
153.01831	4.4
160.07594	0.3
163.03928	0.7
165.01849	2.2
166.02602	0.4
167.10696	0.4
168.74176	0.2
173.05988	0.3
183.02948	0.6
183.04370	0.5
187.03847	0.3
195.02835	0.3
201.05463	1.6
205.05081	0.3
229.04991	4.5
247.06262	0.6
257.04446	2.9
274.04724	0.9
283.21036	0.3
285.03973	1.2
303.05014	100.0
304.05420	1.1
315.04901	0.3
345.06033	0.6
360.27148	0.3
369.05896	0.3
454.93692	0.2
465.09842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.35859	0.3
54.42172	0.3
57.03436	0.4
61.02651	0.4
61.02932	6.0
65.03911	0.3
68.99767	0.8
69.03416	1.1
69.42075	1.8
69.42490	0.9
73.02922	1.6
74.00008	0.4
81.03425	0.5
85.02913	5.2
91.03963	3.0
92.15133	0.3
97.02907	2.8
99.04417	0.4
109.02885	0.6
111.00805	1.2
114.69682	0.3
121.02879	1.3
124.66175	0.4
127.03934	0.8
137.02344	3.5
145.04999	0.7
153.01833	3.5
163.03857	0.7
165.01868	1.8
173.05959	0.5
174.35497	0.3
183.02817	0.7
183.04352	0.4
184.51360	0.4
187.03966	0.6
201.05502	1.4
207.57227	0.3
229.04982	3.4
235.31790	0.3
247.05948	0.6
257.04468	2.6
267.01746	0.4
274.04803	0.8
285.03946	1.7
303.05011	100.0
304.05280	1.9
347.13641	0.4
390.06909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.1
55.01860	4.8
55.05513	16.6
56.05028	2.8
58.03075	1.5
67.05243	1.5
67.05510	19.1
69.03426	6.3
69.07054	6.9
70.06570	4.7
70.08050	1.8
71.07386	13.8
72.08162	58.1
74.17013	1.7
79.05074	2.3
79.05502	33.4
79.94991	1.8
81.03416	6.2
81.06584	2.7
81.07060	36.9
83.04994	17.7
83.20567	1.5
91.04979	3.1
91.05494	35.8
91.43345	1.8
93.07052	24.6
95.04979	18.6
95.08615	15.6
96.04483	4.3
97.06553	4.3
98.06049	3.4
103.05455	7.0
105.07041	100.0
107.04951	6.9
107.08573	7.0
109.02878	2.0
109.06487	2.9
110.06026	2.8
111.04449	6.0
115.05458	3.8
117.07033	35.1
119.08602	16.9
121.06503	15.0
121.10163	5.8
123.08072	6.6
124.07595	3.5
125.05946	1.7
128.06198	2.5
129.07030	8.1
130.07773	3.1
131.08580	28.3
133.06493	6.6
133.10103	1.9
135.04521	1.7
135.08066	3.7
138.09105	2.2
139.09949	21.2
143.08568	5.5
143.20459	1.6
145.06490	7.7
145.09059	3.2
145.10139	45.0
147.08044	7.9
147.11716	13.5
149.09610	5.7
152.10704	2.2
155.08539	2.7
157.11040	11.4
161.09595	2.0
171.08061	2.3
173.09653	23.1
180.10254	2.2
189.09206	3.2
191.10640	1.7
204.58705	1.6
218.15375	6.1
234.14948	2.5
244.16998	92.0
250.14818	1.7
259.67404	1.9
260.16544	3.9
262.18060	47.3
268.79129	1.8
278.17606	2.8
280.19025	3.5
287.05536	2.8
288.05801	5.0
298.52448	1.7
303.04959	4.4
350.09045	2.3
419.06552	5.4
428.20572	1.6
428.48056	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	464.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
57.07080	31.2
60.29432	1.1
69.07069	2.6
69.16553	10.9
71.08636	28.2
73.06551	3.5
83.08607	2.6
85.10189	18.2
89.06036	100.0
97.10160	5.2
99.11715	3.1
105.66708	1.3
107.07091	6.0
111.11705	2.1
115.50486	1.2
117.09137	1.6
127.14874	1.8
130.08621	1.8
133.08607	39.7
151.09721	5.7
151.10760	1.1
177.11232	11.9
182.60959	1.1
184.88354	1.1
195.12289	51.6
218.02332	1.2
247.84647	1.2
279.74265	1.2
341.34021	3.1
346.10748	1.5
447.40488	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01847	1.6
55.05517	7.7
56.78276	0.5
57.03421	0.8
61.02894	0.8
62.81375	0.4
67.05510	17.0
67.05856	0.5
68.61720	0.5
69.03431	3.3
69.07066	4.8
69.97694	1.8
70.06566	1.7
72.08162	34.4
72.54139	0.5
73.02926	0.6
79.05090	0.9
79.05495	11.1
80.25662	0.5
81.03429	3.4
81.07065	21.0
83.04980	2.7
83.08623	2.9
85.02911	6.1
85.06533	1.3
87.04442	0.6
90.09186	0.6
91.05470	4.3
93.07050	19.9
93.36765	0.4
95.04972	2.8
95.08617	14.4
97.02892	2.7
97.06493	1.8
97.10169	0.8
98.06044	1.2
99.08106	0.8
105.07016	2.0
107.04926	1.9
107.08607	13.7
109.02832	0.5
109.06469	1.4
109.10168	8.7
111.08055	1.5
115.03897	1.4
116.07108	0.6
117.06976	2.0
119.08536	2.1
121.02891	0.5
121.06527	2.6
121.10151	4.9
123.08038	0.6
123.11727	0.5
125.39977	0.5
126.09138	0.6
127.03863	1.7
128.65736	0.5
131.08540	2.0
133.04959	1.3
133.10136	3.3
135.08014	1.3
135.11694	5.9
139.07608	0.4
149.13266	22.8
151.11223	0.6
153.05435	0.7
157.08510	0.6
159.11707	4.5
163.84605	0.5
177.12737	5.9
195.13808	1.3
222.22641	0.5
248.20120	27.7
266.21176	34.5
284.22226	65.4
285.22433	0.7
302.23282	100.0
303.23602	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.7
58.06608	4.2
61.02922	7.3
67.05489	4.6
69.03431	8.9
69.07079	5.0
71.52224	3.9
72.08157	4.5
73.02915	10.1
79.05470	8.1
80.69413	3.2
81.03418	4.3
81.07047	10.5
84.08146	4.2
84.88322	3.5
85.02898	28.3
86.09736	3.3
91.05490	10.9
91.14450	3.1
93.07040	22.2
95.04980	4.2
95.08635	8.4
97.02902	12.5
99.04470	4.9
105.01877	7.5
105.07053	4.7
106.06545	8.8
107.04956	6.6
107.08577	23.1
109.02871	9.6
119.08621	3.7
121.06528	4.0
121.10146	8.5
124.03954	5.7
127.03924	17.7
131.08597	5.9
133.10170	5.8
134.06026	100.0
135.06390	45.8
135.11676	28.8
137.09633	4.2
145.04987	7.3
145.10107	5.8
147.11589	4.3
147.80930	4.0
149.09636	6.3
151.03903	7.7
159.02937	5.5
163.03891	3.7
163.11194	4.5
173.09767	3.2
181.12239	7.1
199.13248	4.5
221.15776	4.3
231.04942	5.6
249.15002	5.0
250.07074	3.8
267.15942	7.3
283.14304	8.6
284.14676	28.1
287.05133	4.3
301.07275	7.1
302.07431	19.7
303.05011	82.1
464.22556	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	464.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.7
58.06608	4.2
61.02922	7.3
67.05489	4.6
69.03431	8.9
69.07079	5.0
71.52224	3.9
72.08157	4.5
73.02915	10.1
79.05470	8.1
80.69413	3.2
81.03418	4.3
81.07047	10.5
84.08146	4.2
84.88322	3.5
85.02898	28.3
86.09736	3.3
91.05490	10.9
91.14450	3.1
93.07040	22.2
95.04980	4.2
95.08635	8.4
97.02902	12.5
99.04470	4.9
105.01877	7.5
105.07053	4.7
106.06545	8.8
107.04956	6.6
107.08577	23.1
109.02871	9.6
119.08621	3.7
121.06528	4.0
121.10146	8.5
124.03954	5.7
127.03924	17.7
131.08597	5.9
133.10170	5.8
134.06026	100.0
135.06390	45.8
135.11676	28.8
137.09633	4.2
145.04987	7.3
145.10107	5.8
147.11589	4.3
147.80930	4.0
149.09636	6.3
151.03903	7.7
159.02937	5.5
163.03891	3.7
163.11194	4.5
173.09767	3.2
181.12239	7.1
199.13248	4.5
221.15776	4.3
231.04942	5.6
249.15002	5.0
250.07074	3.8
267.15942	7.3
283.14304	8.6
284.14676	28.1
287.05133	4.3
301.07275	7.1
302.07431	19.7
303.05011	82.1
464.22556	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	464.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65099	1.1
52.17868	1.2
53.03946	2.4
53.73458	1.1
57.03437	1.7
61.02934	1.7
67.05493	1.3
69.03426	5.2
69.44994	9.8
70.06605	2.0
71.05003	12.4
79.05500	3.3
81.03435	7.5
81.07066	7.9
84.08124	2.7
85.02917	12.6
87.00824	1.8
91.05471	4.6
92.05866	1.3
93.07059	10.1
95.08629	2.7
97.02914	3.8
99.04453	2.7
105.01862	3.1
105.07022	3.1
106.02889	2.0
107.04967	1.9
107.08617	6.0
109.02885	5.8
109.10164	2.0
119.04972	7.5
121.06562	1.9
121.10149	3.6
124.03956	3.7
127.03909	5.5
127.25347	1.3
130.55083	1.4
133.06538	1.8
133.10201	1.5
135.08092	1.2
135.11728	7.1
137.05977	1.7
145.06499	1.8
146.06879	1.7
147.03256	2.4
147.04428	45.6
149.09702	2.0
151.03903	1.9
153.12766	68.6
159.02884	1.9
165.05530	2.8
166.07271	2.2
187.18118	1.4
198.77148	1.4
201.04208	15.3
211.97327	1.4
216.06587	100.0
217.33838	1.2
231.05136	1.7
251.29532	1.5
268.08231	1.9
274.04333	1.7
291.08527	2.1
302.03964	1.9
302.07303	2.1
303.05038	21.0
309.09772	3.8
317.06741	6.1
318.06912	16.5
407.94650	1.3
446.10901	1.4
464.11261	1.7
464.16928	4.6
464.24579	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	464.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.01878	1.5
55.05506	1.8
57.03446	26.2
59.04988	5.8
61.02922	1.6
65.03923	1.8
67.05500	2.8
69.03436	88.0
69.07086	1.4
70.06604	10.0
70.42960	4.5
71.01400	1.5
72.08158	11.0
73.02908	5.5
73.03322	1.3
79.05489	3.7
81.03423	3.4
81.07048	5.4
85.02909	57.5
86.09703	3.1
87.04476	49.1
91.03963	1.9
91.05457	1.6
93.07043	5.0
94.07380	1.4
95.04985	1.6
95.08601	1.4
97.02901	68.8
99.04473	3.1
102.37365	1.4
105.07022	3.5
107.04947	2.8
107.08586	3.1
109.02882	1.8
115.03938	86.5
116.07105	7.6
119.08572	2.8
121.02873	52.6
123.04469	1.6
124.04001	1.7
125.80670	1.5
127.03945	6.3
128.07106	8.0
131.08604	1.4
133.04974	100.0
133.10120	2.8
136.36937	1.2
137.05984	2.0
139.03972	1.2
140.00607	1.2
145.04961	5.8
147.11719	1.6
149.09520	1.8
149.13292	2.1
151.03900	3.0
153.01938	1.3
153.05475	60.2
161.04514	1.6
163.06059	1.6
177.12788	1.9
181.08615	1.5
189.09190	1.8
241.07069	2.0
259.08142	3.8
266.21121	3.8
267.12366	1.5
277.09204	2.5
283.20932	2.4
284.21869	4.5
302.23123	5.1
303.05090	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	464.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
58.28055	0.2
69.03442	0.4
69.66276	1.2
70.06586	0.4
73.89121	0.2
77.03924	0.2
79.05514	1.0
81.03405	0.3
82.18256	0.2
84.08144	0.4
85.02922	1.4
88.19495	0.2
89.03935	0.3
95.04958	0.2
97.02901	0.4
98.58463	0.2
98.97604	0.3
106.02892	0.3
107.04975	2.1
109.02916	0.4
112.12344	0.2
116.07098	0.3
120.08144	0.2
122.02749	1.0
123.04459	0.2
124.03914	0.3
127.03916	0.3
135.04434	1.3
137.06026	0.9
139.03922	0.4
141.05486	0.5
141.06604	0.2
145.02867	1.0
147.04428	0.3
147.51117	0.2
160.07578	0.5
163.03918	100.0
164.04227	1.0
165.05553	0.2
181.04973	49.2
200.79381	0.2
219.01753	0.2
268.08203	0.3
284.08289	1.5
302.06949	2.2
331.66391	0.2
354.74997	0.2
358.75333	0.2
403.12088	0.2
464.11829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48491	0.4
53.03934	1.4
55.01865	0.8
55.05511	0.5
56.89528	0.5
57.03444	0.6
58.65272	0.4
65.03939	1.5
68.99783	0.6
69.03442	3.7
69.07075	1.4
69.29420	0.5
69.47751	2.9
69.48160	1.1
70.06586	1.8
71.04999	0.8
73.02923	1.4
79.05480	0.8
81.03421	8.1
81.07053	1.6
83.05000	0.7
84.08116	1.0
85.02918	5.6
87.62131	0.5
91.03971	0.6
91.05475	0.9
93.07040	1.3
94.07394	0.5
95.04978	5.3
95.06110	0.5
95.08630	0.7
95.67659	0.5
96.08958	0.7
97.02900	6.8
98.20769	1.1
99.04468	1.6
105.07026	0.6
107.04948	0.7
107.08624	0.8
109.02887	4.5
111.04452	1.5
112.99212	0.6
116.26260	0.5
120.08118	0.5
121.02877	100.0
121.10197	1.1
122.03109	0.7
127.03917	4.4
128.04277	0.6
129.06989	0.5
131.08609	0.7
133.10104	0.6
135.11728	0.9
137.05946	0.8
139.03914	19.9
141.05455	0.6
145.04979	2.3
147.04411	2.0
153.01808	0.7
153.12726	4.1
153.13734	0.5
183.06570	1.1
189.57048	0.5
214.07993	0.8
217.84160	0.5
226.26050	0.5
237.36121	0.5
257.29236	0.6
259.05658	0.8
265.07104	14.5
283.08160	16.4
283.11295	0.9
287.05188	2.2
301.07019	2.6
302.07379	6.3
303.05032	9.7
464.25311	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3788
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
52.18066	5.6
55.05514	40.7
56.61158	5.2
57.07080	62.9
67.05502	18.4
69.07077	84.3
69.21688	14.7
69.22105	39.3
71.08640	48.3
73.43278	5.4
78.12850	5.8
79.05479	17.1
81.07065	40.7
82.24899	5.7
82.96242	5.7
83.08630	56.0
85.10193	20.7
89.06015	6.2
91.05473	19.0
93.07062	36.6
95.08602	44.6
95.37468	5.5
97.10162	31.9
98.84535	5.7
105.07063	41.5
107.08590	59.0
109.06541	17.4
109.10159	25.8
111.08089	13.2
111.11728	19.8
119.08613	30.9
121.06448	6.5
121.10154	25.7
123.08064	23.8
123.11682	14.2
125.13281	8.4
131.08670	11.6
133.10152	26.9
135.08096	39.1
135.11703	13.4
137.05974	10.1
137.13342	7.0
139.14854	6.7
145.10123	9.9
147.08060	8.3
147.11690	16.1
149.09686	7.2
149.13258	11.0
151.07573	17.2
151.11230	8.7
156.09315	7.2
157.10103	12.5
159.11659	9.7
161.13246	40.7
163.11172	9.0
164.92462	6.3
165.09152	9.9
167.07086	9.2
171.11734	6.9
173.13263	11.5
175.07558	8.1
175.11226	12.2
175.14842	11.3
177.09122	17.2
181.08600	19.0
189.12723	16.7
191.10725	9.6
191.14124	7.4
203.14383	8.3
231.13805	12.3
235.13329	18.4
237.14781	7.2
249.14864	7.5
291.19247	9.9
305.20975	9.2
311.98639	6.6
319.22745	10.4
333.24307	9.9
347.25739	16.2
357.35178	51.7
375.29129	7.8
375.36227	12.1
399.36267	28.0
403.35718	8.4
417.37485	30.2
427.35886	38.3
445.36856	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.2
55.09682	2.1
65.03922	2.9
66.13094	1.7
66.92120	2.0
67.05498	4.2
69.03434	4.9
69.07032	2.7
69.45555	12.8
71.03078	2.0
79.05479	8.0
81.03412	5.2
81.07042	9.0
82.64220	2.1
83.08622	2.8
91.05486	6.5
95.04967	3.7
95.08621	4.1
96.05769	2.0
98.20740	2.5
107.08590	3.1
109.10162	2.9
113.00005	3.6
121.10176	3.0
121.13733	1.9
122.03674	2.5
124.05189	3.7
127.03941	11.1
135.04393	2.7
136.05191	6.7
139.07539	7.6
151.03922	5.9
151.07541	4.1
152.04742	9.8
154.06190	2.5
156.04114	2.4
157.06488	2.3
159.08139	4.8
161.06027	3.4
166.06299	27.5
169.02568	2.9
169.87405	2.1
173.05966	5.0
175.07559	2.8
181.07095	4.0
181.08611	64.3
181.11060	2.9
185.05905	2.1
186.06812	3.1
187.07545	5.1
188.08360	7.7
189.05486	5.9
189.09071	4.3
191.10713	5.1
195.06551	100.0
201.05507	2.6
202.09843	16.8
203.07005	9.1
204.07869	7.2
205.04880	3.3
205.08575	2.9
209.08134	3.3
216.07823	6.2
217.05042	6.1
217.08557	3.0
218.09282	3.7
219.10191	12.4
220.07332	4.2
232.07330	8.5
233.11736	8.7
235.09616	8.9
247.09695	85.2
249.11243	2.9
259.09729	3.0
277.10751	22.3
287.05463	24.1
310.08783	2.5
324.66644	2.4
338.11520	2.2
351.29025	5.9
353.13846	2.8
365.13861	2.9
368.16190	3.0
369.13431	2.7
384.15677	7.6
396.15543	6.0
399.18057	3.2
412.15359	3.0
415.17691	16.7
427.17459	6.9
445.18649	71.3
463.22235	3.0
463.34540	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	463.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01102	1.4
53.03948	4.0
55.05517	2.3
61.52031	1.5
65.03951	2.0
67.05499	3.1
68.75581	1.4
69.03435	5.5
69.07076	3.0
69.92577	7.6
79.05508	5.5
81.03430	7.2
81.07066	6.4
91.05475	8.4
93.07036	2.8
95.04989	3.9
96.05780	3.2
105.07032	3.5
107.04979	2.1
107.08587	1.5
108.05744	2.5
109.06519	5.7
109.10160	1.8
117.07050	1.8
119.08607	2.7
122.03648	3.3
123.08056	2.2
124.05197	3.1
127.03937	8.6
129.07013	2.6
131.08589	2.8
135.04379	3.0
136.05240	5.0
137.05992	2.4
138.06793	2.3
139.07530	9.7
144.05737	2.7
145.06488	4.0
147.08115	1.6
148.05205	4.4
151.03909	5.4
151.07555	3.5
152.04735	12.6
154.06183	1.7
156.04181	3.0
158.07245	2.9
159.08052	2.8
161.06003	4.9
166.06281	31.6
167.07037	3.6
169.08632	4.3
173.06047	5.2
174.06848	2.2
175.07559	3.1
181.08615	60.4
185.05994	2.5
186.06848	1.9
187.07590	6.3
188.08330	10.0
189.05544	4.6
189.09167	4.1
190.09827	1.9
191.10719	5.3
195.06549	100.0
196.06906	1.8
201.05525	4.2
201.09166	1.6
202.09996	14.0
203.07095	5.7
204.07797	11.7
205.04999	4.5
205.08501	1.9
209.08121	3.6
214.06308	2.4
216.07835	6.1
217.04965	8.5
217.08664	2.8
218.09422	2.7
219.10233	10.5
220.07309	4.6
221.11809	2.5
231.10251	2.7
232.07259	8.7
233.08269	2.1
233.11734	12.4
234.36612	1.5
235.09648	10.4
247.09700	80.6
249.11261	4.1
259.09903	2.6
265.10800	3.8
277.10754	24.9
287.05505	19.6
322.24554	5.2
323.08994	2.4
331.11914	1.8
337.10889	3.1
369.13239	3.5
374.13461	2.3
380.13220	1.9
381.13293	5.0
384.15768	6.3
385.12399	2.0
389.26822	1.7
396.15533	5.0
415.17599	14.9
427.17575	5.1
445.18637	70.2
463.30280	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.8
55.01884	1.2
65.03942	2.1
67.05502	1.7
69.03436	6.7
71.03663	2.1
71.04987	1.0
75.04475	1.2
79.05499	7.4
81.03430	7.5
81.07065	3.3
91.05496	4.2
93.03391	0.9
93.07068	0.8
94.04218	1.2
95.04977	2.9
96.05755	3.2
97.06506	0.9
105.07018	1.2
106.04202	0.9
107.04968	2.5
108.05750	2.3
109.06525	4.7
109.10209	1.3
111.04333	0.8
115.05467	1.3
121.02876	1.5
121.06522	2.2
122.03646	3.7
124.05228	7.2
127.03933	10.6
129.07025	2.5
131.04965	0.9
131.08595	1.0
131.10283	0.9
133.06525	1.3
133.10214	0.9
135.04436	1.5
136.05209	6.4
137.02351	1.8
137.05997	2.8
138.06795	1.5
139.07559	9.9
145.06512	2.7
148.05219	5.6
151.03903	4.8
151.07556	3.0
152.04689	12.7
154.06306	2.2
156.04134	2.0
157.06514	2.1
158.07298	2.6
159.08008	4.5
160.08832	1.6
160.87230	1.1
161.06053	4.6
161.09679	0.9
163.07603	0.9
165.05534	1.9
166.06276	31.1
167.03447	1.4
167.07045	2.7
168.07791	1.0
169.08646	2.2
171.08257	0.9
173.05981	5.9
174.06825	2.8
175.07542	5.4
176.08333	1.3
177.09196	2.0
180.04176	1.2
181.08609	61.4
184.03651	0.9
185.06049	2.2
185.08127	1.9
186.06801	2.1
187.07559	6.3
188.08362	10.2
189.05518	3.7
189.09134	4.7
190.06300	1.4
190.09889	2.3
191.07040	1.3
191.09152	0.8
191.10617	4.6
192.07649	1.0
193.05019	1.0
195.06552	100.0
196.06847	1.0
199.04024	1.1
201.05461	4.5
202.06157	1.2
202.09915	14.6
203.07063	8.0
204.07864	10.5
205.05023	2.4
205.08659	3.0
209.08105	3.0
214.06290	1.7
215.03439	1.2
215.07062	1.3
216.07811	4.7
217.04994	9.1
217.08588	2.1
218.09448	3.1
219.10226	10.3
220.07288	5.9
221.08102	1.3
221.11700	1.8
228.07808	2.1
231.10156	2.5
232.07352	10.9
233.08070	2.4
233.11740	9.6
235.07538	1.5
235.09666	9.7
246.08922	1.7
247.09680	90.4
248.10179	1.9
249.11313	3.6
259.09689	2.7
265.10846	3.2
277.07925	1.4
277.10764	23.3
279.10165	0.9
287.05542	8.3
293.08084	1.3
307.09805	1.2
310.08337	0.8
312.31863	1.0
319.09842	1.4
320.10770	1.1
321.11212	1.9
321.36563	1.0
323.09131	1.7
335.09259	1.5
337.10782	2.7
337.14914	0.9
338.11469	1.2
338.61606	0.8
341.13998	0.9
351.12457	1.3
352.13220	1.2
353.13904	2.4
354.11035	1.2
357.13217	1.3
359.11429	1.2
363.12344	1.3
365.13977	1.6
368.16330	1.2
369.13354	3.7
374.13754	2.0
379.11768	1.1
381.13641	4.5
383.15042	1.1
384.15805	7.9
385.16678	1.2
395.14905	1.9
396.15662	5.6
399.18250	1.5
400.15131	1.6
415.17624	15.2
427.17615	6.3
433.18619	1.2
445.18625	70.4
446.19040	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1239
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
55.05502	0.6
57.03442	4.1
63.87351	0.4
69.03429	0.5
69.90826	1.9
70.06578	0.4
71.05000	30.1
75.04471	0.4
80.96554	0.4
83.04985	0.9
85.02912	28.1
87.04498	0.5
92.02640	0.7
93.03399	0.7
109.02875	0.8
109.10217	0.5
111.04436	0.5
118.74600	0.4
121.02857	1.0
122.03757	0.4
129.05501	6.2
138.57500	0.4
139.03902	0.9
147.06551	1.4
151.03949	0.8
153.01822	6.1
168.99191	0.4
201.05461	0.9
217.04860	0.5
228.04268	0.9
229.05092	2.0
245.04468	0.6
246.05299	1.6
257.04468	2.2
273.03931	1.5
274.04779	3.5
284.03217	0.8
285.03934	3.7
286.04532	0.5
301.06967	0.4
302.04248	11.1
317.06586	100.0
318.06934	1.5
363.82162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1239
Annotation	LMPK12110738
Peak:m/z	Relative Intensity
52.76773	0.8
55.01874	1.0
57.15120	0.8
67.05502	1.0
69.03448	0.9
70.06602	2.0
72.08167	1.1
79.01862	1.9
79.05463	0.8
81.03428	1.1
85.02911	3.5
97.02894	1.4
98.21536	1.6
105.07035	1.3
109.02924	1.6
119.78368	0.9
121.02913	1.0
135.11690	1.1
136.07591	8.6
137.02328	6.9
137.05978	1.1
149.06033	2.1
150.09174	3.7
151.03929	11.9
153.01915	1.2
163.11334	0.9
164.07129	3.9
165.01840	4.1
167.18146	0.9
175.03893	1.5
177.01881	1.9
182.66281	0.9
183.02959	0.9
189.05441	0.9
191.03362	1.3
193.05025	0.9
213.95459	0.8
215.06798	0.9
217.05086	3.9
227.12730	0.9
229.05038	1.3
231.06360	1.0
243.03008	1.4
243.06554	4.0
244.07217	1.1
259.06110	2.5
261.03937	1.7
270.05237	3.7
271.06061	2.2
272.06784	3.5
273.07687	1.0
273.15942	2.4
274.87964	1.0
282.05362	2.1
283.06027	1.7
283.14880	2.6
284.06769	2.4
285.07611	2.8
286.04715	2.2
286.08383	4.5
295.06131	2.0
296.06857	1.7
297.07785	1.3
298.04718	16.3
298.07855	1.7
299.05441	3.5
300.06345	7.1
301.07104	3.5
301.15488	5.3
310.04712	4.6
310.08490	2.8
311.05563	8.5
311.09067	1.3
312.06317	8.6
313.07080	66.8
314.07840	19.6
314.11417	1.7
324.06451	5.9
325.07098	12.4
326.12469	0.9
327.05017	1.8
327.08615	12.3
328.05774	19.2
328.09424	1.7
336.06329	1.0
337.06982	1.4
338.07828	9.4
339.08615	4.0
340.05945	2.4
341.06628	2.7
342.07486	1.0
343.08157	90.6
344.08511	1.2
352.05756	2.1
353.06384	1.4
353.10266	14.9
355.08032	4.3
357.09665	1.2
364.06122	1.0
367.08176	21.0
373.09290	7.4
379.08163	2.9
381.09586	4.8
385.09183	2.0
391.08353	1.5
397.09265	13.8
409.09192	9.9
427.10306	30.5
445.11353	49.9
463.12399	100.0
464.12888	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1239
Annotation	LMPK12110738
Peak:m/z	Relative Intensity
55.05502	0.6
57.03416	0.9
61.02890	0.9
64.73852	0.6
67.05511	0.9
69.03428	1.3
69.75833	1.5
69.76264	2.1
70.06572	2.1
73.02905	0.6
79.01853	1.4
79.05498	0.6
81.03396	2.1
81.07011	0.6
84.04470	1.2
84.08144	0.6
85.02905	2.3
86.09696	1.5
91.05465	0.6
93.07036	1.2
97.02888	1.4
98.20818	1.3
105.07029	1.0
107.04983	0.7
107.44402	0.5
109.02868	1.4
116.07075	0.7
121.02843	1.2
121.10099	0.9
129.05341	0.6
130.06558	0.8
132.10236	0.6
133.06528	0.6
133.10182	1.1
135.04408	0.9
135.11595	0.7
136.07588	4.9
137.02350	6.4
137.05916	1.5
141.01807	0.7
147.04385	1.0
149.05922	1.1
150.09183	2.3
151.03923	12.9
151.05069	0.8
153.01723	0.7
157.07654	1.0
164.07048	2.0
165.01843	3.4
175.03961	1.4
177.01857	2.0
183.02896	0.7
192.04202	1.7
203.03477	0.8
205.05109	1.0
215.07008	1.2
217.04964	4.6
225.05505	0.9
229.04926	0.8
233.04219	0.8
235.05963	1.0
241.04990	1.0
243.02934	2.4
243.06511	5.1
257.08170	1.3
258.05194	1.1
259.05997	3.8
261.04037	2.1
270.05115	3.0
271.06021	3.0
272.06805	3.7
273.07587	0.7
273.15970	1.0
282.05359	1.6
283.05978	1.8
283.14771	1.9
284.06876	1.9
285.07663	2.4
286.04788	2.0
286.08371	4.5
295.06000	1.9
296.06824	2.4
297.07477	1.7
298.04745	16.3
298.08154	1.0
299.05493	3.9
300.06311	10.1
301.07104	2.8
301.15384	2.8
309.07571	0.8
310.04739	4.5
310.08377	3.9
311.05588	8.7
312.06290	6.9
313.07077	71.5
314.07840	19.9
314.11224	1.0
321.07748	0.8
323.05493	0.7
324.06372	5.5
325.07117	13.4
325.11020	1.1
327.05002	0.8
327.08572	12.4
328.05759	18.3
337.06970	1.7
338.04230	1.0
338.07813	8.8
339.08572	3.4
340.05746	2.4
341.06519	2.4
342.07220	0.9
343.08142	92.6
344.08432	1.9
350.07275	0.7
352.05536	3.5
353.06418	1.7
353.10223	15.8
354.07135	0.8
355.08124	5.4
357.09668	1.3
366.07156	0.7
367.08139	20.0
371.07620	0.8
373.09201	7.1
374.00406	0.7
379.07980	3.1
381.09766	5.3
385.09192	2.3
391.08212	1.0
394.06818	0.8
397.09177	14.7
409.09235	11.4
427.10263	30.3
445.11319	51.4
446.11682	0.8
463.12360	100.0
464.12708	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1239
Annotation	5,2',6'-Trihydroxy-7-methoxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
51.82848	0.1
70.54982	0.2
70.55312	0.4
85.02835	0.2
94.27080	0.2
95.08583	0.3
98.21430	0.2
100.74598	0.2
107.08597	0.1
109.10190	0.1
115.83501	0.2
123.95808	0.1
145.10020	0.1
153.01826	0.4
198.88576	0.2
229.05104	0.4
237.85851	0.2
239.97316	0.2
249.99458	0.2
258.05270	14.2
259.05652	0.4
283.06036	1.4
286.04752	35.8
287.05234	0.5
290.71344	0.2
301.07095	100.0
302.07379	1.7
339.11713	0.2
460.42450	0.2
463.12335	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0874
Annotation	Demethylwedelolactone 3-O-glucoside
Peak:m/z	Relative Intensity
51.27953	0.1
52.47235	0.1
67.05463	0.2
68.99789	1.9
69.03426	0.2
69.59460	0.7
69.59869	0.3
70.06574	0.2
72.21981	0.1
81.07048	0.3
85.02895	0.4
91.05486	0.3
93.07027	0.4
94.11817	0.1
95.08597	0.3
97.02926	0.2
105.07033	0.4
107.01308	0.2
107.04947	0.2
109.02839	0.2
109.34698	0.1
111.00822	0.2
117.07034	0.2
118.01184	0.1
120.08025	0.2
121.02855	0.4
121.06490	0.2
121.10183	0.2
123.11681	0.2
131.01311	0.2
131.04939	0.4
133.06554	0.2
133.10077	0.1
134.06046	0.2
135.04419	0.2
137.02356	0.3
139.11142	0.2
145.02824	0.2
145.06480	0.4
147.04370	0.5
149.02379	0.2
149.05965	0.2
149.09647	0.2
151.03911	0.2
153.01830	0.6
155.04877	0.4
157.06500	0.1
159.04376	0.4
161.05977	0.6
163.03932	0.3
173.05968	0.6
175.03911	0.4
176.75229	0.1
177.05467	1.3
178.05829	0.1
187.03899	1.1
187.07430	0.2
188.04726	0.3
189.01785	0.3
189.05522	0.9
199.07425	0.3
201.05461	0.6
203.03426	1.9
205.04967	0.3
211.50340	0.2
213.01909	0.6
217.04961	0.8
221.63596	0.1
227.03360	0.3
229.04976	2.1
231.02895	5.0
243.08791	0.4
244.09570	2.2
245.04463	4.0
255.02901	3.3
257.04401	0.3
259.02469	0.7
273.03943	2.5
283.02435	0.8
286.04623	0.2
287.05389	0.3
300.02478	0.2
301.03442	100.0
302.03778	1.4
309.75366	0.1
315.01321	0.8
350.41699	0.1
378.15271	0.3
379.16104	1.3
394.89078	0.1
463.08768	2.6
463.24042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01862	0.9
55.05269	0.7
55.05517	7.7
57.03431	0.8
57.50245	0.6
65.03917	0.9
67.05508	13.6
69.03432	4.1
69.07063	2.6
69.27621	4.8
70.06588	2.8
71.04981	1.0
72.08163	37.5
76.69578	0.5
79.05503	27.6
81.03420	5.9
81.07063	22.6
82.34525	0.5
83.04996	4.0
83.08642	1.4
85.02905	5.0
87.00848	1.2
87.04458	0.5
91.05487	24.3
93.07047	12.6
95.04974	3.8
95.08624	3.8
97.02895	1.9
97.06552	1.5
98.06049	2.0
98.21472	1.0
99.04476	0.9
99.20889	0.6
105.01818	0.6
105.07040	32.0
107.04964	2.6
107.08607	31.8
109.02902	1.2
109.06529	2.5
111.04478	1.0
111.08068	0.7
116.07029	0.7
117.07040	0.8
119.06168	0.7
119.08586	15.9
121.06503	1.3
121.10143	3.3
126.09141	0.8
127.03922	2.2
128.07068	0.7
129.07014	1.8
131.08578	8.3
133.06522	5.6
133.10141	22.4
134.18497	0.5
136.11066	0.7
137.06006	0.8
138.09154	0.6
139.09924	2.5
142.07790	1.1
145.05008	1.5
145.10124	1.9
147.08044	1.4
147.11703	37.3
149.13248	5.3
152.10715	2.0
157.10135	3.1
159.02777	0.7
165.12761	2.1
175.11198	11.7
182.11763	2.6
191.86491	0.6
193.12256	4.3
195.03741	0.6
197.08107	0.8
211.55612	0.6
214.62630	0.7
246.18562	21.3
264.19614	94.5
265.20013	1.0
282.20660	100.0
283.20953	1.0
300.21680	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13374	1.3
53.03945	4.7
55.01883	2.2
55.05517	15.3
56.05038	4.4
58.06584	1.7
61.51107	1.4
65.03950	4.4
65.11012	1.3
67.05512	18.7
69.03421	1.9
70.06596	3.4
71.04993	1.2
71.07381	14.9
71.52455	1.5
72.08167	39.8
73.06507	1.2
79.05502	10.6
81.03423	7.9
81.07056	4.9
82.04218	6.3
83.04990	11.3
90.09193	1.7
91.05499	14.7
93.03410	6.0
93.07027	6.2
94.06574	2.6
95.04980	100.0
95.07361	13.7
95.08640	5.0
96.04520	2.0
98.06072	15.3
104.06266	3.1
105.07021	7.8
107.04967	3.6
107.08612	5.2
109.10191	2.1
110.06060	2.3
110.09702	2.0
111.04429	1.8
113.06004	12.0
113.08406	9.1
115.05467	2.7
116.07109	4.5
117.07023	11.1
119.08591	10.1
120.05749	1.5
121.06530	13.7
123.08135	1.5
124.07578	1.7
126.09165	1.6
127.09057	1.1
129.07022	3.7
131.08604	3.3
133.06511	2.3
133.10187	2.5
135.08078	4.5
138.09169	3.8
139.09956	6.1
140.10733	2.9
142.08766	1.5
143.08585	3.5
145.06543	7.5
146.07317	1.4
147.08069	6.5
149.06050	2.9
152.10704	7.3
153.11497	2.4
159.08058	1.6
160.08911	1.6
161.06015	1.5
161.09659	5.2
163.07581	3.6
164.10670	2.9
177.09210	1.6
182.11832	6.3
187.07585	1.6
189.09189	1.7
216.13951	4.6
218.15462	2.5
220.13290	2.1
234.14903	8.4
260.16519	3.4
276.15906	3.9
277.16809	2.5
283.60324	1.2
294.16971	1.5
342.86011	1.5
352.23553	2.1
388.25375	1.5
444.27820	3.8
462.29059	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	462.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
55.01869	1.2
55.05520	5.8
55.59449	0.8
57.03443	8.0
65.03957	1.0
67.05507	9.8
69.03446	4.6
69.07066	3.4
70.06587	0.9
70.91498	1.8
71.04982	1.6
72.08162	17.5
73.25685	0.7
77.03897	0.8
79.05500	22.1
81.03416	3.3
81.07066	15.8
83.04993	7.3
85.02917	5.6
85.06576	1.4
91.05492	17.6
93.07053	17.0
95.04983	5.3
95.08606	7.1
97.02882	1.7
97.06544	29.9
99.04462	0.9
99.08092	1.5
105.07037	17.3
107.04985	7.5
107.08607	20.1
109.06519	3.5
109.10176	1.9
111.08056	1.5
117.07018	4.4
119.04955	1.1
119.08601	6.9
121.06521	2.6
121.10160	2.3
125.09685	1.8
129.07033	3.5
131.08572	4.8
133.06500	9.7
133.10170	8.0
135.08081	2.7
137.09619	4.2
139.09862	0.9
147.08058	1.8
147.11705	17.9
149.13350	1.1
151.11179	2.8
157.10124	3.0
165.12904	1.0
175.11209	5.3
193.12262	4.0
211.13235	1.9
246.18500	4.4
252.49428	1.0
262.18076	0.9
264.19608	32.9
265.72125	0.9
282.20673	100.0
283.20966	1.3
300.21719	85.4
301.22028	1.6
444.25873	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	462.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
53.35594	0.6
55.01879	1.2
55.05518	4.7
57.03439	7.7
67.05511	12.2
69.03437	5.3
69.07065	4.7
69.44225	0.6
69.44447	2.3
69.44875	2.8
71.05001	1.9
72.08161	19.0
72.74903	0.9
79.05496	19.8
81.03432	4.4
81.07061	13.6
83.04984	7.3
85.02906	7.5
85.06544	1.8
91.05486	19.5
91.06025	1.4
93.07047	12.2
95.04978	5.5
95.08620	5.6
97.02886	1.5
97.06535	25.8
99.08099	2.8
105.04473	0.8
105.07034	17.6
107.04965	8.9
107.08601	16.2
109.02884	1.4
109.06526	2.1
109.10186	1.8
111.04410	0.7
111.08081	1.4
117.07007	6.0
119.04944	0.9
119.08579	9.6
121.06535	2.1
121.10160	2.8
123.08054	0.9
127.03922	0.9
129.07019	4.4
131.08574	5.7
133.06516	9.1
133.10143	9.3
135.08040	3.0
137.05956	0.7
137.09625	5.7
139.09929	1.0
145.04984	1.1
145.10118	1.3
147.08069	2.4
147.11697	21.0
149.09625	1.0
149.13336	0.9
151.11160	3.3
157.10126	4.4
165.12758	1.3
168.86043	0.7
175.11215	5.6
193.12270	3.9
204.17345	0.7
220.16982	1.0
242.66669	0.7
244.95186	0.7
246.18570	6.0
264.19598	31.9
282.20648	100.0
283.20901	1.5
298.73380	0.7
300.21695	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.05505	4.2
57.03436	6.2
61.71300	0.9
67.05240	0.9
67.05516	11.6
69.03420	5.2
69.07087	5.2
69.41479	6.3
69.41889	1.9
71.04987	2.4
72.08163	17.4
79.05499	17.4
81.03419	4.2
81.07064	12.2
83.04988	6.2
85.02898	6.8
86.36176	0.9
91.05497	17.4
93.07056	12.9
95.04974	7.7
95.08604	5.6
97.02908	1.1
97.06538	21.1
99.08114	2.1
105.07038	17.9
107.04957	10.4
107.08599	14.1
109.06522	2.4
117.07031	5.3
119.04929	1.6
119.08572	10.0
121.10117	2.6
127.03921	1.5
129.07004	3.6
131.08585	6.4
133.06506	9.3
133.10121	8.2
135.08031	3.7
137.06013	1.2
137.09653	6.1
142.07759	1.4
145.10182	1.0
147.08026	2.0
147.11700	14.3
149.13208	1.1
151.11165	3.8
157.10167	3.4
165.12700	1.4
175.11174	5.2
193.12239	4.3
246.18532	4.4
264.16940	2.0
264.19589	25.9
282.20651	100.0
283.20874	1.2
300.21710	87.3
301.22125	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.00733	0.4
55.05498	0.5
62.71019	0.4
67.05493	0.7
68.53142	0.4
69.59009	2.9
70.06584	0.6
72.08144	0.9
77.90166	0.5
79.05492	0.7
81.07053	0.6
84.08144	0.5
89.03399	0.9
89.03918	8.4
91.05492	4.8
93.07034	0.5
95.04984	1.2
95.08607	0.7
103.05463	0.7
105.03397	0.6
105.07041	0.9
106.04228	0.6
107.04961	5.1
116.65832	0.5
117.03387	27.4
118.04169	0.8
119.04953	3.0
121.06458	0.6
121.10167	0.5
127.40699	0.5
131.04903	2.6
134.03667	1.5
135.04425	2.1
137.05978	1.2
145.02853	68.0
146.03543	0.7
147.04387	1.2
149.05989	7.6
151.07550	18.1
154.41161	0.5
157.09717	0.5
158.05986	0.8
160.07541	0.6
161.05849	0.5
163.03931	1.4
163.06236	0.7
165.09143	1.5
166.09503	0.5
175.07510	0.9
177.05484	100.0
177.39864	0.6
178.06070	1.6
178.08662	6.1
179.08563	1.4
180.54280	0.4
186.05568	3.1
213.28198	0.5
250.70909	0.5
264.88278	0.5
269.11761	1.1
286.14386	46.5
307.04709	0.5
327.22263	0.5
391.65390	0.5
415.11200	0.5
444.14005	0.9
462.19144	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01140	1.0
53.03939	1.5
55.05526	2.4
56.05011	1.4
56.21493	1.0
61.02923	1.2
65.03922	1.2
67.05499	4.2
69.03432	8.8
70.02940	1.3
70.06608	6.8
70.37891	1.1
70.38229	3.7
71.05002	2.7
72.08167	5.0
73.02905	1.1
74.06073	1.4
79.05495	3.2
81.03439	2.0
81.07079	3.1
83.04981	1.9
84.04519	1.9
84.08154	5.8
85.02930	9.9
86.09721	5.1
87.04513	1.3
88.04002	1.0
89.06020	3.4
91.05491	3.8
91.34872	1.0
92.05004	4.4
93.07050	4.6
95.04986	7.1
95.08602	2.7
97.02920	3.7
97.06547	1.9
99.04465	1.9
105.07046	8.4
107.04979	3.9
107.08599	4.3
108.04526	1.3
109.06524	5.6
109.10152	2.3
111.04455	4.7
113.05983	2.2
115.05578	1.0
116.07103	2.9
117.07064	1.9
119.04932	1.4
119.08569	12.2
121.02863	1.5
121.06516	6.4
121.10153	2.2
123.08095	5.4
127.03916	2.9
128.07076	1.3
129.10249	1.4
131.08598	6.4
133.06494	2.1
133.08623	1.9
133.10152	2.3
135.08064	11.8
136.03915	2.3
136.06241	1.6
137.09647	2.9
138.05568	1.3
139.07562	1.7
142.07820	1.2
143.08592	3.9
145.06500	1.6
145.10152	6.4
147.04410	3.0
147.08038	5.3
147.11656	1.7
149.09651	2.5
151.07462	1.7
152.07185	1.3
154.05002	42.3
155.08585	1.4
157.10146	4.9
158.07291	2.9
158.10947	1.3
159.08070	8.0
159.11726	6.0
161.05980	1.3
161.09612	7.5
163.03937	1.2
164.07079	2.4
165.09135	4.7
165.10405	1.2
168.09312	1.6
169.05022	1.2
171.11676	3.0
172.08867	1.8
173.09671	3.7
173.13275	3.9
175.07545	10.9
175.11108	5.0
179.09467	1.9
183.11726	3.1
185.09644	2.2
187.11195	5.1
189.09041	2.9
189.12712	2.0
193.08624	2.9
196.09000	1.2
199.11243	3.7
201.12791	7.6
203.10675	9.6
205.12199	1.8
211.11221	3.3
217.12286	4.3
219.13914	1.7
229.12241	7.4
232.23109	1.2
235.13287	3.1
238.09009	1.2
247.13339	26.6
254.11853	1.3
265.14374	100.0
266.14548	2.1
280.08218	12.2
281.41501	1.0
283.17474	3.0
294.91153	1.3
298.09155	2.1
299.09424	1.2
300.16098	1.2
316.13196	1.9
462.21155	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	461.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	22.9
57.07076	17.0
67.05502	35.8
69.07066	18.4
69.38434	63.5
71.04986	12.5
79.05499	25.3
81.07056	77.6
83.08609	19.3
91.05461	21.7
91.72917	9.0
93.07040	49.0
95.08611	96.4
98.21483	15.4
105.07042	36.8
107.08607	74.2
109.10174	100.0
117.26189	8.6
119.08595	61.2
121.10167	90.6
123.11723	34.7
125.22160	7.9
127.11167	26.6
133.10136	40.1
135.11734	72.8
137.13269	21.9
147.11682	26.4
149.13257	47.1
153.12857	11.0
159.11778	11.9
161.13225	23.7
163.14911	17.8
170.19928	9.7
175.14906	15.7
177.16425	22.8
187.14828	11.2
189.16380	11.3
191.17960	24.2
203.18060	20.4
217.19539	14.4
229.19589	8.9
231.21130	10.1
358.95035	8.7
425.37875	56.5
435.52161	9.7
443.38370	13.5
461.23325	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	462.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72671	0.2
53.03946	0.4
57.24386	0.2
67.02935	0.1
67.15025	0.2
69.03438	1.2
70.06599	1.0
71.05019	0.3
71.36539	0.4
72.08160	0.2
80.05032	0.6
81.03416	0.3
84.08157	0.7
85.02910	0.8
86.09711	0.9
87.91747	0.2
88.90813	0.2
92.05013	6.3
95.01334	0.4
95.04951	0.2
97.02904	0.5
97.60796	0.2
98.97598	0.3
99.04470	0.4
103.64239	0.2
107.04966	0.2
108.04502	1.6
109.02884	0.5
116.07100	0.4
119.04932	0.3
119.08637	0.2
127.03905	0.8
136.03946	9.2
139.03934	0.7
140.07150	0.2
147.04456	0.5
151.03966	0.2
154.05005	100.0
155.05336	0.7
156.05531	0.2
157.07605	0.4
166.08580	0.3
226.07150	0.3
254.12791	0.2
266.04376	0.2
270.10550	0.2
272.04880	0.2
280.08182	26.9
281.08438	0.3
282.12378	0.8
286.99069	0.2
298.09238	6.3
300.21811	0.2
317.06265	0.3
462.13849	1.3
462.20383	0.4
463.09985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.05506	13.4
57.02212	3.3
57.07085	4.8
62.16199	3.7
63.69714	3.6
67.05517	29.5
69.07073	23.9
69.31078	11.5
69.31497	16.0
71.05007	31.7
79.05491	24.4
79.55138	3.1
81.07066	80.2
83.05001	3.2
83.08620	12.4
91.05502	21.7
93.07051	40.9
95.06830	3.2
95.08614	73.3
95.83771	3.1
97.10190	6.3
99.08105	5.9
105.07038	24.0
107.08603	70.4
109.10165	100.0
119.08612	39.2
121.10163	40.1
123.11704	28.8
125.13237	3.9
127.11200	48.5
130.48700	3.5
131.08572	9.6
133.10153	22.4
135.11699	50.6
137.09605	10.7
137.13261	11.0
145.10127	12.9
147.11684	30.8
149.13258	31.9
151.07558	4.8
153.12753	26.7
159.11710	14.3
161.13307	19.5
163.14847	29.1
165.09135	99.2
166.09503	9.0
167.14348	5.1
173.13260	9.5
175.14804	13.3
177.16396	14.7
181.15785	4.9
187.14836	7.5
189.16409	9.4
191.17941	8.2
195.17406	6.3
201.16393	7.8
203.17973	13.1
205.12297	3.9
215.17857	4.4
217.19591	16.4
229.19669	7.4
231.21132	5.8
257.22830	3.4
259.24023	5.9
277.25278	3.6
285.25546	5.1
303.26935	9.4
338.29526	3.8
339.30594	5.0
357.31506	11.1
410.96729	3.8
425.37698	21.7
443.33768	23.9
443.39139	13.2
486.60892	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	17.2
57.07082	9.8
57.53817	6.5
66.30986	5.3
67.05518	35.2
68.14644	6.1
69.03431	7.5
69.07087	41.0
69.30312	43.9
71.04997	12.9
79.05492	18.8
80.35999	5.4
81.07070	100.0
83.08616	18.6
91.05499	15.4
93.07056	47.7
95.08618	87.3
97.10172	9.8
99.08102	11.0
105.07072	36.8
107.08609	47.7
109.10168	76.1
119.08578	41.8
121.10140	42.1
121.36778	5.0
122.63660	5.3
123.11726	28.8
125.09633	17.0
127.11205	22.8
128.28717	6.8
131.08572	9.3
133.10109	15.9
135.11725	36.5
137.09518	5.5
137.13235	18.0
145.10100	12.7
147.11751	26.3
149.13312	26.6
155.10681	6.5
159.11697	16.1
161.13274	14.9
163.14832	20.9
173.13222	12.9
174.84956	5.2
175.14835	12.9
177.16391	15.3
185.13216	5.5
189.16325	10.3
191.17905	9.8
191.49863	6.2
193.15973	7.2
196.16994	6.3
196.42831	5.4
201.16386	6.3
203.17978	10.3
215.17929	5.6
229.70676	5.0
247.03006	5.2
247.20387	5.4
339.30524	6.2
357.31631	9.4
358.60236	5.0
374.24969	7.3
425.37769	17.3
443.39011	26.7
461.26309	26.8
461.34088	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	461.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
55.05515	23.5
55.26149	3.0
57.07068	9.5
59.05013	4.6
67.05512	37.6
67.59156	2.3
69.03403	2.9
69.06728	4.5
69.07079	62.3
70.77004	8.2
71.04996	28.9
72.10882	2.5
74.09712	4.2
79.05514	21.8
81.07067	96.5
83.04942	3.2
83.08639	15.0
84.61666	3.3
85.04275	2.6
91.05486	16.2
92.05808	3.1
93.07045	66.6
95.04992	3.8
95.08614	94.9
97.06566	3.3
97.10175	6.5
97.57227	2.9
99.08069	4.8
105.07035	34.1
105.55802	2.9
106.06525	4.2
107.08607	82.3
109.10170	100.0
111.11726	22.0
116.04936	3.1
119.08595	36.0
121.10150	47.8
123.11722	32.2
125.09622	5.4
125.13313	3.4
126.34538	2.6
127.11205	45.2
131.08595	5.9
133.10147	33.6
134.06032	38.2
135.06372	10.6
135.11716	61.3
137.13261	11.0
139.11237	5.1
145.10118	7.5
146.12628	3.2
147.11691	25.7
149.13263	43.8
151.14833	3.1
153.12761	22.4
159.11702	19.7
161.13295	14.2
163.14874	23.5
167.14314	5.5
173.13260	8.1
174.04886	3.0
175.14845	14.7
177.16364	22.3
187.14877	9.1
189.16341	13.8
191.17924	9.4
193.15944	2.9
195.17433	8.9
201.16464	10.0
203.17975	12.6
215.17932	9.6
217.19583	10.2
225.63016	2.9
227.17943	2.7
229.19527	9.0
231.21033	6.0
243.21129	3.3
259.24323	4.6
271.24359	3.7
275.23727	3.1
277.25327	3.2
285.25760	5.5
297.24167	6.4
298.25031	6.5
299.25668	18.0
303.26779	10.2
337.34024	3.2
339.30081	3.4
345.31314	2.9
357.31400	9.4
393.42444	2.6
425.37756	26.7
443.38898	14.9
461.19766	8.7
461.26151	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	461.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.8
55.01873	5.6
55.05516	41.3
57.03441	6.7
67.05184	4.1
67.05514	59.4
69.07073	24.9
71.51951	4.7
79.05070	6.2
79.05499	68.2
81.03428	8.5
81.07069	55.9
83.04994	7.9
83.08620	18.4
85.06577	4.7
86.09653	2.7
86.72314	2.8
91.05492	81.4
91.06026	6.1
93.07053	47.9
95.04988	16.6
95.08618	32.9
97.06537	6.7
97.10187	8.0
99.08111	3.1
103.05481	7.8
105.07043	44.3
105.46214	2.8
107.04990	10.9
107.08600	24.7
109.06533	9.8
109.10185	15.9
111.08064	8.7
115.05459	9.7
117.07048	44.1
119.08602	30.3
121.06510	10.9
121.10159	15.4
123.08080	7.3
125.09621	4.8
127.58738	3.4
128.06250	11.9
129.07021	46.6
131.04947	3.4
131.07724	5.1
131.08598	53.5
133.06523	9.2
133.10170	18.0
135.04448	4.7
135.08098	6.7
135.11740	8.2
137.09624	3.7
141.07004	19.1
142.07780	4.0
143.08572	40.7
145.06493	13.7
145.10165	19.6
147.08067	9.1
147.11697	9.1
149.09657	8.8
149.13297	7.8
153.06953	4.6
155.08566	26.2
157.06543	6.6
157.10147	18.2
159.08095	3.7
159.11723	10.3
161.09720	4.2
163.11176	3.4
167.08614	10.4
169.10112	16.7
171.08003	5.1
171.11751	17.6
173.09703	3.7
173.13258	4.7
177.12836	4.5
179.08577	6.3
181.10179	11.0
183.11786	8.6
185.09599	4.8
185.13321	9.0
187.11127	5.2
187.14799	4.7
193.10193	9.2
195.11716	13.6
197.13293	13.0
199.14825	6.6
203.14651	4.1
207.11800	5.2
209.13312	8.4
211.14871	4.5
213.12785	4.9
215.14386	8.8
217.15833	5.2
219.13678	3.5
221.13225	4.6
223.14876	9.0
225.12776	5.7
227.12660	4.0
233.15244	3.0
235.14952	5.3
239.14397	5.6
253.16008	3.8
257.15326	4.4
259.17035	4.3
271.16962	9.8
323.23834	10.2
333.22281	13.5
341.24780	11.0
351.23264	46.4
369.24295	54.2
387.25348	25.6
421.10245	3.1
425.26938	5.5
433.29611	4.7
443.28003	67.6
459.80991	3.1
461.29062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.0
55.01868	5.3
55.05516	33.1
57.06826	1.9
57.07085	24.0
59.04998	1.7
65.33140	1.2
67.05509	20.9
69.07076	64.8
69.16083	14.4
71.04377	1.7
71.04999	41.8
71.08643	14.7
79.05511	9.8
81.03450	1.4
81.07065	68.3
83.04978	2.2
83.08154	2.3
83.08631	42.9
85.10185	8.0
85.70023	1.3
91.05474	3.7
93.07043	11.2
95.08618	55.6
97.06548	3.2
97.10181	30.8
98.60532	1.3
99.04462	16.6
105.07041	4.0
107.04945	2.0
107.08607	11.6
109.06519	12.4
109.10164	31.4
111.04440	1.6
111.08125	3.8
111.11733	20.1
113.06024	2.7
113.09644	1.5
113.13193	1.6
119.08612	4.7
121.10139	12.0
123.11723	19.0
124.16526	1.2
125.06010	100.0
125.13288	9.3
127.03931	51.6
131.08504	1.8
133.10150	4.0
135.08084	2.1
135.11717	6.7
135.41821	1.4
137.05994	96.5
137.13248	9.4
139.07530	3.0
139.11200	2.2
139.14822	2.9
145.10143	2.8
147.11746	2.3
149.06001	3.3
149.09615	2.4
149.13272	6.0
151.07559	7.3
151.14825	4.2
156.09351	2.2
157.10172	3.9
159.11723	3.1
161.09665	2.4
161.13274	3.2
163.11188	1.4
163.14859	5.2
165.09149	5.3
165.16409	2.9
167.07060	48.6
169.10201	2.5
171.11717	5.1
173.09630	2.6
173.13190	1.5
175.11224	3.5
177.09163	4.0
177.12726	1.4
177.16454	4.0
179.07074	5.4
179.18028	1.8
183.11713	3.0
187.11298	2.3
189.12718	2.5
191.10701	1.9
191.17961	2.7
193.12305	1.9
195.10292	1.9
198.10379	1.9
199.11244	1.5
201.12769	2.6
201.16318	1.9
203.10765	1.3
203.14352	1.8
205.12299	3.5
205.19540	2.1
211.14873	1.9
213.12790	3.1
217.12305	1.7
219.13765	3.7
229.15996	1.4
241.87296	1.3
305.24841	2.0
317.32077	7.9
328.68726	1.5
383.33017	3.7
397.34677	4.2
401.34094	8.2
425.34109	3.1
443.35025	5.5
461.29004	1.6
461.36368	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	461.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
54.98025	0.7
55.01861	2.5
55.05513	7.2
57.03431	2.2
57.07067	1.8
61.02928	1.6
61.33403	0.8
65.03942	0.8
67.05513	5.2
68.99752	0.8
69.03432	7.3
69.07072	12.2
70.06586	2.1
71.04981	2.7
73.02924	1.5
79.05494	5.6
81.03410	4.3
81.07066	12.9
81.65006	0.8
83.08629	9.0
84.08140	1.3
85.02918	14.5
85.06533	3.1
87.00841	7.1
91.05482	3.4
92.26092	0.8
93.07056	11.5
95.04967	2.0
95.08617	29.1
97.02911	5.6
97.06510	1.5
97.10185	3.9
99.04454	1.6
99.08105	18.2
100.11260	1.5
105.01878	11.6
105.07034	5.0
107.08604	28.1
109.02885	3.5
109.10169	9.3
111.04449	1.9
111.08098	6.3
113.09652	2.7
117.07145	0.9
119.08583	3.4
121.10153	46.1
123.08082	0.9
123.11740	2.1
125.09647	5.8
127.03935	8.9
131.04907	1.1
131.08601	0.9
133.10143	8.0
134.10474	1.8
135.04387	1.2
135.11710	9.5
137.05963	1.5
137.09633	0.9
137.13263	6.3
139.11119	1.3
143.39963	0.8
145.04996	3.7
145.10117	1.0
147.11734	1.2
149.13252	2.5
151.03903	3.0
159.11650	1.2
161.06017	1.0
165.09079	1.3
166.81943	0.9
175.14780	2.5
177.16406	100.0
178.16768	1.5
182.15437	1.3
187.10922	0.9
195.17464	28.9
213.18515	24.3
231.04927	1.9
242.08163	1.6
247.90596	0.9
289.04105	0.8
322.12119	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96921	1.2
53.03942	2.0
55.01860	2.8
55.05518	7.6
57.03427	1.7
57.07071	2.1
61.51866	1.2
65.03941	1.4
67.05504	7.3
69.03432	7.2
69.07069	13.4
70.06578	3.8
71.04978	3.7
71.52518	1.7
79.05523	5.8
81.03405	4.1
81.07062	16.0
83.04991	1.9
83.08624	7.5
84.08133	1.4
85.02440	1.3
85.02909	16.1
85.06527	3.1
86.09683	2.4
87.00836	6.8
91.05466	5.1
93.07056	14.2
95.04970	1.6
95.08611	28.9
97.02903	6.4
97.06529	3.0
97.10176	5.8
99.04481	1.8
99.08101	16.2
100.11295	2.2
105.01869	7.3
105.07042	8.4
107.08607	27.6
109.02894	4.9
109.10156	8.6
111.08076	5.0
113.09634	2.3
119.08574	5.9
121.02860	1.2
121.10151	46.6
123.11707	2.1
123.87433	1.3
125.09648	7.2
127.03925	9.4
129.06947	1.4
131.04918	3.3
131.08578	1.3
133.10165	14.1
135.11713	11.6
137.05972	3.1
137.13243	6.6
145.04953	3.7
145.10139	2.0
147.04404	2.0
147.11696	2.2
149.09506	2.3
149.13252	5.0
151.03888	5.1
163.07674	1.2
163.11137	1.6
173.02263	1.4
175.14832	4.1
176.15181	1.9
177.16400	100.0
193.73601	1.3
195.17447	26.8
213.18501	23.2
231.05011	2.6
249.05890	1.4
276.18408	1.3
363.41574	1.3
461.16089	2.7
461.34766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.7
55.01865	3.2
55.05515	7.9
55.07045	1.1
57.03426	1.7
57.07072	2.6
61.02916	1.6
67.05508	6.4
69.03432	12.8
69.07072	13.9
69.25112	11.4
70.06593	3.9
71.05000	7.2
73.02938	1.9
79.05500	5.6
81.03405	7.8
81.07058	16.5
83.04984	3.0
83.08624	8.5
85.02912	19.2
85.06540	5.7
86.09704	3.0
87.00832	9.2
91.05496	4.7
93.07054	14.1
95.04964	1.3
95.08614	27.2
97.02898	13.5
97.06554	2.4
97.10158	5.8
98.21490	2.1
99.04459	3.5
99.08107	16.4
103.05455	5.9
105.01888	9.7
105.07076	6.7
107.04935	1.3
107.08612	28.7
109.02898	5.3
109.06535	1.7
109.10168	10.6
111.08082	5.6
111.11719	1.6
113.09663	2.6
113.69783	1.3
119.08582	3.4
121.02883	1.5
121.10149	47.6
123.11697	6.1
124.12069	1.3
124.53085	1.2
125.09629	7.9
127.03917	13.5
131.04916	10.4
131.08606	1.7
133.10132	4.8
135.11716	12.0
137.05956	1.8
137.13260	7.0
139.11191	2.7
145.04967	4.8
149.13246	6.0
151.03941	2.0
153.12762	2.6
159.02985	2.0
161.09566	1.3
163.03889	1.0
163.07558	4.2
167.07066	1.2
175.14853	4.8
176.15187	1.7
177.16408	100.0
193.15897	1.6
195.17484	28.5
213.07610	4.6
213.18513	37.6
231.04977	2.9
251.11180	1.1
283.06183	1.4
287.05585	1.9
303.04852	1.4
375.06488	1.3
378.80151	1.2
401.17065	2.0
421.05322	1.3
461.15479	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	461.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01861	0.8
55.05523	5.2
66.06526	0.8
67.05508	2.5
69.03439	5.3
69.07077	10.3
70.80241	1.8
71.04995	1.9
79.05500	3.9
80.59515	1.0
81.03423	2.1
81.07074	10.4
83.08631	6.3
85.02910	9.5
85.06553	1.8
87.00842	4.4
91.05492	2.1
93.07066	10.2
95.08617	26.6
97.02901	3.2
97.10169	3.9
99.04458	2.0
99.08102	16.8
105.01877	6.7
105.07046	2.5
107.08607	28.8
108.57639	0.9
109.02914	1.9
109.10160	6.6
111.08099	5.7
111.11670	0.9
113.09675	1.5
119.08582	1.4
121.02875	1.2
121.10159	43.7
123.11736	1.6
125.09647	5.6
127.03920	7.3
135.11707	8.4
137.13272	3.6
145.04962	1.5
149.13277	2.7
159.02881	1.0
165.01810	1.3
177.16409	100.0
178.16795	1.4
180.04225	2.1
195.06517	2.0
195.17462	19.5
213.07603	7.5
213.18526	40.6
231.04947	0.8
267.06467	1.3
271.05914	1.3
283.06113	8.5
284.06705	2.3
295.06082	2.3
297.07703	1.8
309.07578	2.7
313.07114	10.7
323.09171	4.8
333.07684	0.8
337.07190	4.3
351.08780	1.2
379.08154	2.9
425.08600	8.6
443.09833	4.2
461.10791	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	461.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70829	0.3
53.03942	0.5
55.01867	0.4
55.05512	0.5
65.03938	0.3
67.05502	0.6
68.99788	1.5
69.03426	1.0
69.07069	0.6
70.19173	0.7
70.19566	0.6
71.04988	0.3
79.05485	1.2
81.03418	1.2
81.07066	0.8
85.02904	2.9
87.00816	0.7
91.05474	0.4
93.03403	0.9
93.07044	0.5
95.04971	0.9
95.08588	0.9
97.02907	0.9
99.04450	0.6
99.08101	0.5
105.01883	1.4
107.04976	2.1
107.08595	1.2
109.02892	1.3
111.04426	0.9
111.08060	0.4
121.02880	1.0
121.10156	1.8
123.04442	1.3
124.05202	0.6
125.09632	0.4
127.03921	2.6
134.03587	0.8
135.04424	3.2
139.03880	0.4
145.04979	1.1
149.06003	0.4
151.03889	0.5
152.04684	2.0
153.05437	0.6
156.04195	0.8
159.02901	0.7
163.03917	9.0
165.01823	0.6
167.07089	0.8
171.06541	3.6
177.05400	0.3
177.16415	3.5
179.03416	2.5
180.04190	20.3
181.04874	0.4
183.02895	5.8
183.06557	0.6
195.06551	23.7
195.17458	1.1
196.06787	0.3
198.05264	7.5
202.21922	0.3
213.07596	100.0
213.18459	1.8
214.07924	0.7
231.05022	0.4
249.12270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50816	1.3
53.03952	8.4
55.01881	12.9
55.05515	19.8
57.03436	6.5
57.07074	2.5
59.88793	1.3
61.02922	5.7
67.05510	8.7
68.99797	7.4
69.03438	46.4
69.07077	37.4
70.06591	1.3
70.97549	1.4
71.05002	8.4
71.08637	1.4
71.15784	1.8
73.02930	8.8
79.05507	8.1
81.03429	45.4
81.07060	19.4
83.04993	11.4
83.08614	6.1
85.02914	74.0
85.06551	14.2
87.00842	28.7
91.03958	2.8
91.05486	3.9
93.03398	2.4
93.07061	8.2
95.08613	30.5
97.02904	24.3
97.06545	5.2
97.10188	10.0
99.04466	15.2
99.08111	23.1
103.03909	2.4
105.01869	21.5
105.07025	3.0
107.04961	4.9
107.08617	20.2
109.02892	45.9
109.06522	2.4
109.10169	14.4
111.08077	3.1
111.11739	8.2
113.09662	9.2
114.36563	1.4
117.01838	3.0
121.10167	22.2
123.08157	2.0
123.11746	7.0
125.09622	6.0
127.03934	70.7
127.11150	1.5
129.01869	3.9
129.44499	1.4
133.10083	2.3
134.03513	1.3
135.04387	3.9
135.11696	10.0
137.13284	13.0
139.11171	7.1
145.04958	22.4
146.49408	1.3
147.02870	3.2
149.13228	3.2
151.14839	2.7
152.04652	3.1
153.05522	3.0
153.12737	15.3
159.02911	22.1
163.03914	10.3
163.11250	1.7
171.02914	2.0
171.06477	2.3
175.14848	2.3
177.03928	2.2
177.16414	54.7
180.04216	11.6
183.02850	8.4
195.06541	29.5
195.17465	62.8
198.05247	5.2
213.04114	4.2
213.07599	100.0
213.18526	64.2
231.04988	12.8
237.18524	3.2
249.05908	2.1
357.20535	1.8
458.23239	1.5
461.23892	23.0
461.30359	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	460.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.05500	10.4
57.07071	4.1
67.05507	23.4
69.06728	3.0
69.07070	33.0
70.30109	2.0
70.82513	5.9
71.04981	8.3
79.05500	15.2
81.07060	100.0
83.08603	10.7
89.02052	2.3
91.05494	11.7
93.07052	33.5
95.08060	4.2
95.08613	52.6
97.10131	2.7
99.08105	3.2
105.07031	23.4
107.08595	30.8
109.10151	45.9
111.11681	2.6
119.08599	33.9
121.10154	35.3
123.11688	16.4
127.11182	11.1
131.08575	6.2
133.10164	17.9
135.11687	18.3
137.13248	6.9
143.08540	3.2
145.10136	12.0
147.11694	25.0
149.13286	19.8
153.12764	2.9
157.10089	3.8
159.11732	12.4
161.13269	12.9
163.14836	4.3
173.13266	10.6
175.14787	8.9
177.16457	4.5
185.21826	2.3
187.14827	5.8
189.16411	8.0
191.17978	3.3
199.14786	2.9
201.16386	7.6
203.18005	7.2
215.17996	8.0
217.19455	3.8
229.19604	5.4
257.22623	3.9
314.37262	2.4
339.30429	3.7
363.31226	4.0
403.19336	3.0
431.18512	3.3
460.22412	16.2
460.32910	4.1
461.22269	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66714	0.4
53.03936	1.5
55.01866	1.4
57.03424	0.9
58.99570	0.4
61.02921	0.7
65.67034	0.4
67.08460	0.4
67.79021	0.3
68.99790	0.7
69.03440	2.9
69.39131	3.1
70.06588	0.6
71.04997	0.7
72.08130	0.4
73.02919	1.6
79.05508	2.1
81.03426	3.8
81.07026	0.5
84.08183	0.8
85.02906	6.2
85.08541	0.4
86.09702	0.6
87.00826	2.6
91.05478	0.8
93.03408	0.7
93.07054	0.9
95.04961	0.7
95.08602	0.5
97.02908	2.3
98.20738	0.7
99.04471	1.4
105.01881	1.5
107.04965	6.8
107.08566	0.5
109.02895	2.9
111.08044	0.4
117.01888	0.4
119.04940	0.4
121.06528	2.4
127.03915	3.2
129.01878	0.5
135.04430	6.2
137.05981	0.6
139.03893	0.7
139.07597	0.5
140.69794	0.3
145.04961	1.0
147.04445	0.4
149.06003	2.7
151.03905	0.6
152.04710	1.5
153.05518	0.5
153.43004	0.4
156.04227	0.5
159.02887	1.2
163.03920	16.6
167.07100	3.0
171.06564	2.0
177.05479	2.1
180.04193	1.7
183.02919	1.5
183.06541	0.9
195.06555	23.1
198.05241	4.3
213.07602	100.0
214.07913	0.9
231.04935	0.5
287.05392	0.5
303.04987	1.0
357.22171	0.4
361.02240	1.6
377.01773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	15.6
57.03425	9.4
61.02922	24.6
69.03436	12.9
70.29275	10.2
70.29666	10.2
81.03407	10.1
85.02912	39.0
86.09723	5.5
91.05511	7.6
93.03439	9.4
97.02914	8.9
107.04959	8.7
109.02885	17.1
121.02859	16.5
127.03936	13.3
129.06990	7.2
131.04970	5.6
135.04449	13.5
145.02864	6.7
147.04520	12.1
157.03897	5.2
159.04384	7.7
163.03925	17.4
173.02287	10.3
173.06050	7.1
175.03928	25.1
175.07471	7.3
177.05444	13.0
179.03500	7.0
181.04959	6.2
185.05960	9.3
185.56813	4.7
187.03949	26.1
189.01756	7.1
189.05527	16.9
191.03470	9.9
193.04991	33.1
199.03999	12.3
201.01772	9.0
201.05496	18.9
203.03395	26.0
203.07005	10.1
205.04959	45.0
207.02899	7.6
207.06551	5.9
209.04471	24.7
211.03993	11.2
213.05482	17.4
215.03409	23.3
217.04985	42.1
219.03012	10.2
219.06557	40.3
221.04471	94.0
223.06001	8.8
225.05511	12.5
227.03491	7.3
227.06947	6.0
229.04955	38.6
231.03030	5.7
231.06476	30.8
233.04454	85.1
235.06097	29.3
241.05037	14.8
243.06509	20.1
245.04457	18.9
245.08235	6.2
247.06055	70.5
249.03938	10.2
251.05473	57.1
253.04961	11.0
255.06645	8.3
257.04453	20.0
259.06061	79.4
263.05615	20.5
269.04517	12.2
271.05914	35.0
273.03934	20.0
273.07510	19.5
275.05466	100.0
277.07169	17.3
281.04245	7.2
281.06918	6.3
283.06091	20.0
285.04062	9.5
285.07602	15.5
287.05569	75.7
289.07047	21.5
293.06583	44.9
297.07623	11.5
299.05521	44.7
301.07068	39.0
305.06662	87.4
311.07803	39.9
313.07114	20.2
315.08383	6.9
317.06641	56.9
323.07550	17.9
325.07227	7.4
329.06509	33.8
335.07578	28.5
341.08820	18.4
343.08203	14.3
347.07617	68.1
353.08673	24.7
359.07669	64.1
361.08990	6.9
365.08707	25.1
371.07776	32.8
377.08682	23.4
381.33478	6.1
389.08655	29.8
395.09961	6.4
407.09741	30.2
425.11035	37.7
443.11633	15.7
461.13147	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	460.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15069	1.2
55.01863	1.6
55.05510	1.8
67.05505	4.3
69.03430	3.6
69.22755	12.5
70.06573	1.6
71.04965	1.8
71.07368	1.9
72.08163	16.3
79.05500	10.5
81.03432	4.3
81.07080	17.5
83.04993	2.5
84.08164	1.8
85.02911	3.3
91.05501	13.7
93.07047	8.8
95.04991	27.9
95.08630	2.1
97.02880	3.1
97.06537	1.5
98.20576	1.6
99.04456	1.5
100.14114	1.3
103.05470	3.1
103.92435	1.2
105.07047	52.3
107.04965	2.9
107.08607	3.8
115.05469	4.2
116.22229	1.1
117.07034	4.6
119.08605	3.8
121.06495	2.6
121.10151	7.5
123.08083	8.2
124.03970	2.3
127.03969	1.6
129.07018	1.7
131.08580	10.1
133.06509	23.1
137.05983	5.6
138.09132	1.8
139.09958	2.5
145.10155	12.0
147.08025	3.1
149.09651	13.4
161.06004	36.4
163.11118	3.1
173.09673	2.9
186.18657	1.3
187.03174	1.2
191.10666	3.9
193.08623	23.5
209.11743	1.3
212.12808	3.0
220.48337	1.2
244.17030	2.4
262.18057	100.0
268.08170	1.9
280.19104	21.8
298.20026	5.6
424.23138	2.0
435.18018	1.4
474.78488	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58371	0.7
51.28820	0.7
53.03949	1.4
55.01868	1.1
55.05513	2.5
57.03437	1.6
58.18116	0.7
65.35842	0.7
67.05503	3.2
69.03422	2.8
70.06588	0.9
71.04995	1.7
71.07388	1.1
71.16252	1.4
72.07760	0.9
72.08164	12.6
79.05499	11.6
81.03436	3.7
81.07064	12.4
83.04984	3.4
85.02911	3.2
86.09675	1.1
90.87280	0.7
91.05489	17.0
93.07045	7.5
95.04373	1.6
95.04975	28.9
95.08599	2.5
97.02872	1.8
97.06532	1.4
98.06037	0.8
99.04491	1.0
103.05457	3.2
105.07037	41.8
107.04948	3.2
107.08607	2.4
109.02859	1.1
109.06512	1.9
115.05450	2.3
117.07041	5.2
118.04142	0.9
119.08595	3.2
121.06497	1.3
121.10145	7.1
123.04467	1.8
123.08073	2.4
127.03920	2.1
129.07016	2.9
130.07787	0.9
131.04895	1.2
131.08589	12.9
133.06497	19.6
135.08034	1.6
135.11699	1.4
137.06012	5.9
139.09941	1.5
145.04947	0.9
145.06523	0.8
145.10135	10.3
147.04353	1.0
147.08057	1.9
149.09628	15.2
155.08534	1.1
161.04633	1.3
161.05994	21.6
163.11224	2.3
173.09680	2.1
191.10658	2.5
193.08615	17.5
209.11754	1.1
212.12889	0.8
220.17049	1.0
244.17041	1.6
262.18036	100.0
263.18451	1.1
280.19101	37.9
280.35358	0.8
298.20148	3.3
424.23148	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31302	7.1
51.91609	6.2
56.63007	6.0
57.07061	7.0
67.05499	11.6
69.07053	13.2
71.19990	13.2
79.05490	20.8
81.07058	100.0
83.08639	6.7
89.06036	13.6
91.05453	8.0
93.07051	27.8
95.08619	39.5
105.07029	30.4
107.08601	21.7
109.10201	14.4
119.08622	46.2
121.10159	33.2
123.11723	14.3
133.06517	33.5
135.11734	17.7
137.13268	13.0
148.61679	6.9
149.13237	12.4
161.06006	61.1
172.98711	7.0
173.07405	6.0
185.72850	7.5
193.08624	42.8
211.09656	8.4
291.96164	6.8
309.20688	7.1
363.31113	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.0
53.42875	6.5
55.05503	21.4
55.44744	4.7
56.11333	5.7
57.07064	8.6
67.05517	34.1
69.07079	42.3
70.64032	5.6
70.64355	9.2
71.04985	10.2
76.92701	4.6
79.05493	19.9
81.07061	75.9
83.08620	10.6
91.05478	23.2
93.07052	65.6
95.08613	94.5
97.06535	5.5
97.10142	5.9
105.07067	31.7
107.08606	100.0
109.10166	63.8
119.08595	60.1
121.10157	63.3
123.11727	37.4
131.08627	7.5
133.10146	25.9
135.11719	66.5
137.13326	10.4
140.57184	5.2
145.10149	11.3
147.11694	23.3
149.13268	31.2
153.12767	6.9
159.11711	11.5
161.13263	12.5
163.14891	7.1
175.14899	11.8
177.16458	6.7
189.16443	11.5
191.17941	24.6
217.19681	6.5
219.44176	5.8
355.52933	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	460.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01862	1.3
55.05505	3.0
67.05497	3.7
69.03416	4.5
70.06605	1.8
71.04976	1.9
71.15385	2.8
72.08170	12.0
75.07934	1.3
79.05505	9.5
81.03406	3.2
81.07058	11.7
83.04971	3.5
85.02914	6.3
86.09725	1.5
87.40190	1.2
91.05493	12.0
93.07050	8.9
95.04379	2.2
95.04977	36.7
95.08610	1.4
97.02918	1.7
98.20322	1.1
105.07043	36.8
107.04929	3.8
107.08612	2.7
109.06499	1.5
117.07001	3.0
119.08587	3.3
121.10135	7.4
123.08044	3.3
124.03925	1.9
129.06978	2.3
129.32446	1.5
131.08577	11.7
133.06512	10.5
135.04399	1.8
139.09911	2.3
145.10126	12.1
147.08041	3.1
149.09647	17.2
163.03864	4.0
163.11159	1.8
173.09555	2.7
191.10678	3.6
191.40257	1.2
209.11707	2.0
244.17012	2.6
262.18045	100.0
280.19089	29.8
294.98047	1.3
296.42007	1.4
298.20041	3.6
424.23077	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	460.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.05526	1.6
59.93863	0.9
67.05500	4.0
69.03436	2.7
70.06580	0.9
70.10432	2.6
71.04998	1.6
71.07385	1.3
72.08165	10.1
79.05499	8.7
81.03430	2.9
81.07062	11.0
83.04990	3.0
85.02908	3.7
86.92218	0.8
91.05492	13.6
91.65823	0.8
93.07050	8.9
95.04976	27.2
95.08604	1.8
97.02908	1.1
97.06573	1.4
105.07040	39.2
107.04976	2.1
107.08607	2.9
109.06518	2.0
109.26198	1.0
115.05453	1.1
117.07034	3.7
119.08598	4.5
121.10157	7.4
122.35780	0.9
123.08079	3.0
127.03912	1.8
129.06963	2.0
131.08586	17.5
133.06520	7.5
135.08061	2.0
137.05992	3.2
139.09984	2.2
140.48894	1.0
143.08559	1.5
145.05057	1.3
145.06429	1.2
145.10152	12.7
147.08081	3.2
147.11734	1.6
149.09637	19.3
152.06213	0.9
163.03947	2.8
163.11238	2.2
173.09677	2.5
189.93901	1.0
191.10721	3.1
207.63477	0.9
209.11653	1.6
231.05113	1.5
244.17006	4.6
262.18048	100.0
263.18335	1.1
280.19104	28.2
298.20081	6.3
424.23471	2.2
430.72925	1.0
442.24536	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.9
53.72911	3.3
55.01871	4.9
55.05508	14.1
57.03444	4.8
58.06589	15.9
60.04531	3.6
67.05505	15.1
68.05022	4.1
68.56761	3.2
69.03445	19.2
69.91810	14.3
69.92168	6.5
70.06603	31.3
71.07375	3.4
72.08167	52.3
79.05515	32.1
81.03435	30.6
81.07066	38.9
83.04994	8.6
84.08148	10.6
85.02927	35.0
86.09708	7.6
87.00826	8.1
91.05493	33.0
93.07037	15.7
95.04956	12.0
95.08636	6.1
97.02900	18.8
98.06067	6.3
99.04453	4.4
100.07586	5.9
103.05449	7.6
104.03447	7.7
105.03401	4.0
105.07045	100.0
107.04980	8.2
107.08588	11.1
109.02892	23.2
109.06532	5.6
115.52080	3.2
116.07112	4.6
117.07039	31.8
119.08612	19.3
121.06538	4.3
121.10143	5.3
123.04429	4.4
123.08082	34.5
127.03924	41.2
129.07034	8.7
130.08672	5.1
131.08600	39.5
133.06502	9.6
133.10162	7.5
135.51584	3.2
137.05920	3.8
139.09950	5.3
143.08559	4.2
145.04909	3.4
145.06473	8.9
145.10156	51.8
146.06044	7.3
147.08060	5.0
147.11687	19.9
147.78224	4.2
149.09671	6.7
150.45003	3.3
151.03935	4.7
163.03847	4.5
165.09131	45.7
173.09624	27.3
175.11200	5.0
177.05507	9.9
181.04918	4.3
189.03897	8.3
193.04985	4.2
209.11635	4.2
213.04050	5.5
224.65848	4.1
231.05119	4.9
244.16995	99.7
259.61752	4.4
262.18054	88.5
263.12827	14.8
280.19080	35.5
284.09280	7.0
298.16821	7.7
298.20151	30.6
478.33920	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	460.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
58.76376	1.0
67.05496	3.0
70.02681	4.2
74.15317	1.3
79.05495	3.3
80.22324	0.9
81.03420	4.9
81.07092	2.3
81.40730	1.0
82.03742	1.1
83.08614	1.5
91.05495	3.9
93.07014	1.2
94.04185	1.8
95.04976	2.2
97.06536	1.1
103.05462	1.8
105.07053	2.3
107.04995	1.2
107.08677	1.3
108.84987	1.1
109.06562	2.1
115.05478	5.0
117.07021	2.9
119.05019	1.3
122.03666	4.6
125.06014	1.5
128.06236	2.5
129.07014	9.8
131.04958	6.5
131.08583	2.2
137.05992	100.0
138.06259	1.0
143.04938	8.3
145.06517	3.4
147.04393	1.4
151.03879	1.4
151.07542	1.9
153.05486	3.7
155.08543	1.2
157.06505	8.6
160.05212	14.1
161.05969	3.7
163.07567	3.3
165.09103	1.9
168.56970	1.2
172.05223	2.9
173.06056	1.7
174.06772	3.1
175.07567	90.6
177.09154	3.2
185.06009	1.5
187.07565	29.9
189.09123	10.7
191.10605	1.5
199.07724	1.4
205.08633	19.5
217.08565	7.8
219.08211	2.0
219.10132	1.8
229.12077	1.2
231.08087	1.9
235.09677	13.9
239.07117	2.2
248.08519	2.3
269.08545	1.1
270.08878	1.1
271.09744	3.8
272.71417	1.1
291.10132	4.4
294.40869	1.1
311.12851	2.4
323.12729	4.1
341.13882	3.8
368.23203	1.6
386.24191	1.9
425.19724	1.3
460.27814	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	460.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14529	0.7
52.92664	0.7
53.03949	0.8
53.04210	0.8
55.01863	1.2
55.05496	1.7
56.61074	0.9
58.79958	1.0
67.05499	2.5
69.07069	1.0
70.82813	1.9
79.05482	2.8
81.03437	4.7
81.07053	3.2
81.23076	0.8
83.05000	1.3
83.08582	0.9
91.05504	4.1
93.07014	1.2
94.04161	1.7
95.04965	2.0
103.05465	2.4
105.07054	2.4
107.04953	1.5
109.06496	1.9
111.04440	1.6
115.05463	6.6
117.07024	2.6
119.08543	0.9
120.53387	0.8
121.06546	1.2
122.03638	4.2
124.42628	1.1
125.06005	1.1
128.06219	1.6
129.07022	7.3
131.04906	4.2
131.08580	1.7
133.10110	2.0
137.05992	100.0
143.04941	9.9
144.05690	1.6
145.06502	4.1
151.03935	2.1
151.07501	1.7
153.05457	3.0
157.06488	7.0
160.05209	14.8
161.05972	2.8
163.07561	3.5
165.05553	0.9
165.09201	1.0
172.05170	2.4
174.06668	1.6
175.07562	94.4
177.05458	1.0
177.09155	1.6
179.07043	1.0
187.07562	31.8
188.08232	1.4
189.09134	10.4
201.09106	1.0
203.08702	1.6
203.10646	1.3
205.06816	1.8
205.08617	20.7
209.09589	1.1
211.07524	2.7
213.09039	0.9
215.14250	0.9
217.08548	4.8
219.08101	2.8
220.08887	0.9
227.07091	1.1
231.08096	2.7
235.07504	1.6
235.09656	15.8
239.06985	1.6
243.67311	0.9
247.07469	2.0
248.08331	1.5
251.10730	0.9
255.06425	1.1
263.10709	2.6
265.08786	1.3
270.08844	2.5
271.09644	5.8
276.08008	1.1
279.10141	2.4
283.09674	1.2
291.10229	9.6
311.12680	3.6
313.14145	1.0
323.12787	7.8
341.13864	8.1
350.21930	1.1
368.22900	1.5
386.23950	2.1
438.10632	1.1
442.27002	1.1
460.27820	10.2
461.28769	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.5
52.83031	0.5
53.03947	6.0
55.01879	7.1
55.05516	0.6
57.03443	5.9
60.04525	1.2
61.02937	5.3
63.33287	0.5
65.03933	0.5
68.99799	2.5
69.03435	24.9
69.07068	0.8
70.06597	1.4
70.83698	1.2
71.04997	5.3
73.02924	6.4
73.16716	0.5
75.43163	0.5
78.68518	0.6
79.05507	1.2
80.05042	0.6
81.03426	27.9
81.07072	0.7
82.03759	0.6
83.01349	1.0
83.04981	0.5
84.14270	0.5
85.02913	71.1
86.03219	0.8
87.00838	31.4
87.04488	1.1
91.03961	1.6
91.05496	1.4
93.03432	0.7
95.08604	1.1
97.02900	27.5
98.06057	0.9
99.04462	12.5
103.05492	4.6
105.01877	26.2
105.07033	2.3
107.04416	0.6
107.04978	7.2
107.08592	1.1
108.04497	9.2
108.70885	0.5
109.02889	31.3
111.72316	0.5
115.03939	1.1
115.05451	0.9
116.07093	1.6
117.01846	3.4
117.07008	0.6
119.08601	1.6
120.05717	0.7
120.08942	0.6
121.06487	0.6
123.11732	1.1
125.05968	0.7
126.05531	5.4
127.03928	49.1
129.01846	3.3
129.02679	0.5
131.04962	1.5
133.06468	1.0
133.10144	1.2
134.10493	1.7
135.08061	5.9
136.20842	0.5
139.03929	3.3
145.04974	24.4
147.02884	2.3
147.04408	0.5
148.05235	0.6
154.06262	27.4
155.06436	0.5
159.01701	0.5
159.02898	16.0
163.07559	23.9
167.07074	1.8
173.05963	0.8
175.14819	1.7
176.15158	3.6
177.04082	0.7
180.07867	1.3
189.03856	1.3
193.08665	1.1
193.15871	0.9
194.16241	1.5
195.10187	100.0
196.10521	1.2
196.67889	0.5
204.17120	0.5
205.08630	0.7
207.10089	0.9
212.05598	1.3
213.03940	2.5
230.06622	2.7
231.05009	13.0
248.07663	7.1
249.06033	1.8
266.08640	1.5
303.12277	1.7
355.95282	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3837
Annotation	11alpha,30-dihydroxy-beta-amyrin
Peak:m/z	Relative Intensity
52.31385	3.7
55.05517	18.7
57.07077	5.1
59.05003	4.1
61.68180	3.7
67.05518	30.0
69.03423	7.0
69.07079	32.6
69.81463	3.5
70.20802	11.1
71.04993	16.1
79.05505	26.1
81.07057	66.7
83.08622	14.0
85.06548	8.1
88.24413	3.8
91.05495	18.8
93.07055	58.0
95.04943	3.9
95.08619	78.9
97.06526	6.8
97.10180	8.0
98.20746	4.5
99.08111	5.9
101.13902	4.3
104.09345	4.0
105.07043	37.0
107.08601	80.8
109.10168	100.0
111.08087	5.8
111.11710	4.1
117.07035	7.8
119.08588	49.2
121.10165	70.6
123.08083	7.1
123.11707	32.8
125.09679	21.5
127.11177	24.6
131.08603	9.7
133.10146	45.8
135.11700	50.6
137.09625	5.4
137.13261	17.5
139.11115	6.2
143.10709	5.4
145.10149	17.4
147.11722	28.7
149.13269	31.7
151.11147	6.2
153.12708	5.4
153.60767	3.9
155.10704	9.1
157.10201	8.7
159.11702	23.7
161.13318	23.9
163.14816	13.0
165.12721	9.4
167.14211	4.0
168.38730	4.1
171.11755	8.7
173.13280	14.9
175.14853	16.3
177.16365	12.3
179.14365	6.1
183.11815	4.2
183.13789	10.1
185.13274	6.1
187.14844	15.9
189.16417	12.0
191.17966	17.6
193.15819	9.6
201.16426	11.9
203.17990	7.3
211.16940	8.4
211.91434	4.1
213.16434	10.7
215.17946	15.8
217.19560	9.7
227.17984	7.3
229.19540	6.4
233.18971	3.7
245.18941	3.8
254.06079	4.0
255.21265	4.6
257.22665	7.0
271.24136	7.7
283.24271	5.0
355.29858	6.1
387.15781	3.6
405.35077	6.8
423.36334	42.1
429.17078	10.6
441.37247	56.2
443.18652	6.6
444.19342	6.8
459.21707	86.4
459.37976	17.4
460.22354	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42998	4.6
53.03948	5.6
55.05504	15.8
56.55368	5.3
57.07080	9.4
67.05520	29.2
69.07088	29.0
71.04980	11.8
71.53043	4.7
79.05483	23.3
81.07065	61.4
83.08610	6.6
85.06539	10.0
91.05514	27.3
93.07053	50.6
95.08615	82.4
97.06522	8.5
97.10159	8.3
105.07035	37.7
107.08610	83.9
109.10172	66.4
117.07030	8.1
119.08595	60.2
121.10159	62.9
123.11732	25.7
125.09641	10.0
125.50348	5.6
127.11167	10.8
131.08588	14.1
133.10159	45.9
135.11693	60.8
137.13307	11.2
139.11244	6.1
145.10126	23.9
147.11717	31.7
149.13249	32.3
153.12701	7.0
159.11658	27.2
161.13258	23.9
163.14815	16.1
173.13297	12.1
175.14830	20.3
177.16418	28.7
187.14821	22.2
189.16368	13.1
191.17880	8.9
199.14890	8.2
201.16348	25.9
203.17990	23.2
207.17607	6.6
213.16460	7.8
215.17958	14.3
227.17938	8.4
229.19547	8.6
229.29549	5.3
233.19044	8.3
251.19977	7.3
387.16388	12.1
387.21637	5.5
402.18625	9.8
403.19052	18.4
405.34866	7.3
416.19830	9.1
423.36279	58.4
429.17078	7.2
430.17706	8.4
431.18439	18.2
441.37460	33.2
459.17880	100.0
459.22318	60.7
459.37650	20.5
460.18777	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	459.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	28.7
57.07078	9.9
59.04982	5.3
62.15106	3.8
65.03937	4.1
67.05508	43.8
69.03426	7.5
69.07076	91.5
71.02307	10.5
71.04993	15.7
79.05491	44.3
81.07067	95.3
83.04973	5.2
83.08630	19.6
85.06546	5.6
91.05492	30.2
93.07054	91.1
95.04990	4.0
95.08615	99.7
97.06538	9.6
97.10170	7.7
99.08098	8.1
99.23325	4.2
105.07040	67.6
107.08598	100.0
109.06549	8.7
109.10168	93.8
111.08108	5.7
111.11736	32.2
117.07027	7.1
119.08588	63.0
121.10160	79.2
123.11731	35.2
125.09636	20.1
127.11217	22.8
131.08598	20.7
133.10138	53.5
135.08141	4.1
135.11710	69.5
135.56975	3.7
137.09630	9.5
137.13258	14.3
139.11153	9.8
141.53069	3.8
143.08556	8.1
145.10158	31.5
147.11700	59.4
149.09605	3.7
149.12170	6.4
149.13257	45.1
151.11176	6.5
153.12769	8.1
155.08615	5.2
155.10686	6.0
157.10103	5.6
159.11679	31.0
161.13222	26.5
163.14876	15.6
165.09181	4.0
165.12776	9.6
167.14372	5.5
171.11757	7.0
173.13272	26.3
175.14857	21.5
177.16382	19.0
183.11647	4.1
183.13892	4.6
185.13249	11.4
187.14877	21.3
187.16328	3.9
189.16414	14.2
191.17967	12.8
193.15855	7.5
195.17444	9.0
199.14862	8.8
201.16356	24.6
203.17990	12.0
205.15883	4.6
211.17067	6.2
213.16408	10.8
215.17969	17.6
217.19565	8.6
227.17973	8.8
229.19585	9.3
235.28981	4.0
245.87479	3.8
257.22687	5.1
269.22668	8.0
271.24289	8.2
283.24197	4.4
287.23758	6.1
301.25079	5.5
303.18954	4.5
337.28983	6.3
355.30127	4.9
405.35388	10.7
423.36514	33.2
441.37390	33.6
459.24783	14.1
459.38312	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	459.3838
Annotation	Myrrhanone A
Peak:m/z	Relative Intensity
50.75055	3.1
53.03940	4.2
55.01874	4.3
55.05517	23.7
55.12586	3.4
57.07076	11.2
67.05231	3.6
67.05514	42.7
69.03427	10.8
69.07075	34.1
70.97366	6.5
71.05003	26.2
71.63130	3.6
79.05494	27.3
81.07066	69.8
83.08624	11.5
84.08155	4.0
88.12471	3.6
91.05495	27.6
91.77573	3.3
93.07053	72.7
95.04964	3.4
95.08623	88.9
97.06544	8.7
97.10180	9.1
99.08093	7.8
105.07047	50.9
107.08608	75.8
109.06540	4.4
109.10172	100.0
111.08108	4.3
111.11757	7.5
113.09653	4.4
117.07007	4.7
119.08601	47.1
121.10170	51.0
123.08124	4.3
123.11722	28.2
125.09641	19.8
127.11215	42.5
131.08548	14.9
133.10149	36.4
135.11722	50.0
137.09627	8.5
137.13258	10.4
139.11189	6.3
143.08571	11.4
143.10677	4.1
145.10103	28.4
147.11702	38.3
149.13266	34.6
151.11198	5.7
153.12741	12.8
155.10710	8.1
157.10121	8.0
159.11729	35.7
161.13283	24.9
163.14815	13.6
165.12779	12.4
167.14233	4.7
171.11716	8.8
173.13287	24.1
175.14836	14.2
177.16371	11.7
179.01573	3.5
185.13208	4.7
187.14848	18.4
189.16397	15.8
193.15964	5.5
199.14909	6.6
201.16362	10.9
203.17963	13.0
213.16403	5.7
215.17984	15.1
217.19530	7.5
219.17220	3.9
227.17981	9.3
229.19472	7.2
234.39929	3.3
247.20303	4.0
257.22598	4.5
265.10425	3.8
269.22638	4.7
271.24106	5.1
275.23685	3.8
287.23645	4.9
301.25153	4.2
355.30194	8.9
423.36273	24.4
441.32309	4.2
441.37601	33.1
459.24756	14.8
459.38287	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	459.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00551	5.0
53.03939	4.7
55.05507	26.2
55.64571	3.6
57.07077	8.0
65.03940	5.4
67.05510	39.9
69.03420	7.3
69.07074	39.8
70.43814	11.6
71.05002	9.3
71.08630	5.0
79.05505	30.7
81.07059	76.1
83.04953	4.1
83.08617	15.0
85.06567	5.8
91.05486	30.2
93.07053	74.4
95.08614	74.8
97.06520	8.7
97.10167	4.7
97.50790	4.3
99.08099	4.4
105.07052	46.7
107.08604	100.0
107.33638	3.3
109.10169	56.9
111.11706	4.3
113.09634	5.2
117.07009	6.2
119.08602	41.6
120.96646	8.3
121.09333	5.1
121.10162	60.9
123.11738	34.1
125.09636	16.4
127.11196	10.5
128.93277	4.3
131.08557	14.5
133.10146	50.0
135.08133	3.5
135.11713	49.1
137.09589	4.2
137.13289	9.1
139.11256	4.2
143.08638	6.7
143.10701	4.1
145.10173	21.0
147.11684	34.5
149.06454	3.7
149.13266	44.8
153.12706	7.0
157.10115	5.7
159.11734	30.5
161.13258	21.2
163.11153	4.0
163.14807	10.3
165.12819	4.3
169.31465	3.7
171.11746	8.3
173.13277	13.4
175.14845	18.3
177.16383	17.3
185.13257	6.2
187.14856	14.0
189.16385	10.4
191.17946	12.5
199.14893	9.6
201.16470	22.1
203.17931	29.7
213.16405	8.7
215.17961	15.0
217.19473	5.1
227.17984	9.9
233.19037	8.1
251.20059	4.6
256.59558	4.2
269.22690	4.5
283.24197	8.9
313.07767	4.6
339.28946	17.5
345.28137	4.3
348.04828	3.9
405.34988	11.3
423.36243	64.2
441.37292	14.5
459.24631	23.8
459.30521	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	459.3838
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
55.05521	24.2
57.07084	16.3
57.27980	7.7
59.01317	7.8
67.05511	34.1
69.03433	13.6
69.07072	36.3
71.04996	27.2
71.53398	16.2
72.08167	9.3
79.05511	31.1
81.07065	76.3
83.08617	14.7
91.05496	24.5
93.07049	64.6
95.08616	89.5
99.08131	20.2
105.07055	65.6
107.08623	100.0
108.09529	8.3
109.06474	12.0
109.10178	82.7
119.08601	50.3
121.10171	75.2
123.11720	47.7
125.09648	25.5
127.07571	8.5
127.11230	27.6
131.08629	13.2
133.10150	58.2
135.11714	69.4
137.09705	11.7
139.11214	10.4
143.10681	36.2
145.10147	29.0
147.11705	38.7
149.13310	32.5
155.10655	8.2
157.10213	13.2
159.11725	36.6
161.13293	40.5
163.14850	15.1
170.07767	7.8
171.11671	9.6
173.13312	12.6
175.14876	24.8
185.13354	12.6
187.14894	22.2
189.16420	20.5
191.18008	24.0
193.15865	11.2
198.29584	8.7
199.14851	9.4
201.16438	13.6
203.17836	8.3
215.17931	15.4
227.17815	10.9
229.19725	13.8
231.21211	9.8
236.92798	8.3
255.21098	9.3
257.22549	12.1
283.24271	14.3
423.36273	46.0
441.37399	57.8
459.38724	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	459.3835
Annotation	Myrrhanone A
Peak:m/z	Relative Intensity
55.05513	20.9
57.03440	3.8
57.07077	7.9
59.05021	3.8
64.68534	3.1
66.18952	3.2
67.05514	32.5
69.03435	3.8
69.07077	56.5
69.30113	16.0
69.30540	14.1
71.05006	20.7
77.22638	3.7
79.05499	24.5
81.07066	100.0
82.07174	3.1
83.04957	3.7
83.08627	18.2
85.06577	4.2
91.05484	21.7
93.07050	58.3
95.04940	4.6
95.08614	86.6
97.06533	5.5
97.10185	9.5
99.08084	9.8
99.55114	3.5
100.06808	3.6
105.07044	41.7
107.08597	73.9
109.06543	4.2
109.10159	65.6
111.11726	14.1
113.00000	6.7
117.07039	8.4
119.08595	47.1
121.10152	52.7
123.08125	4.1
123.11727	28.9
125.09612	11.4
127.11224	21.6
131.08566	18.1
133.10143	36.0
135.08032	3.5
135.11714	42.6
137.09601	5.7
137.13268	7.7
139.11139	4.5
143.08569	9.5
143.10706	9.5
145.10124	20.2
147.11700	38.1
149.09547	3.7
149.13252	21.0
151.11119	3.8
153.12755	13.2
157.10158	9.3
159.11708	28.9
161.13290	17.6
163.14845	11.9
165.09187	4.0
165.12769	5.5
171.11731	10.3
173.13287	16.0
175.08656	5.7
175.14812	17.7
176.07112	5.0
177.16399	25.1
179.08688	3.7
185.13231	4.4
187.14830	15.2
189.16380	18.5
193.15851	4.8
197.13379	3.8
199.14896	12.9
201.16469	17.2
203.18021	10.7
205.15910	4.8
213.16388	6.9
215.17961	26.3
217.19307	4.6
227.18109	7.7
229.19505	7.9
233.19055	19.4
245.19051	6.0
255.21159	5.1
269.22809	3.8
281.22665	4.0
283.24139	7.7
287.23843	5.2
301.25061	3.8
337.29102	5.9
367.30331	5.0
405.35205	5.5
407.39453	3.8
423.36227	25.9
441.37341	30.1
459.38135	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	459.3837
Annotation	11alpha,30-dihydroxy-beta-amyrin
Peak:m/z	Relative Intensity
55.05502	26.3
67.05495	30.6
69.03426	19.3
69.07066	36.8
69.59259	8.9
71.04980	26.6
71.53642	14.9
79.05483	23.6
81.07056	91.4
83.08621	22.6
88.61704	8.8
91.05485	20.9
91.30465	8.4
93.07069	58.0
93.07549	9.7
95.08614	100.0
97.10152	12.4
99.08083	34.6
105.07022	45.8
105.70606	8.2
107.08595	79.2
109.10162	69.1
119.08574	82.3
121.10151	58.9
123.11729	41.3
125.09675	51.1
127.07551	9.2
127.11208	38.2
129.22560	8.7
131.08565	18.3
133.10162	52.7
135.11732	50.8
137.13277	18.7
139.11188	10.9
143.10646	33.0
145.10146	22.7
147.11708	54.1
149.13278	36.2
153.56613	10.6
157.10101	12.0
159.11714	28.9
161.13297	30.4
163.14790	20.3
173.00633	9.5
173.13275	16.4
175.14841	24.5
177.16357	10.4
179.14247	10.6
183.13812	11.4
185.13333	13.1
187.14856	19.8
189.16383	18.3
193.15953	13.6
199.14752	14.0
201.16379	17.6
211.17046	12.7
212.42534	9.8
213.16350	13.9
215.18045	18.8
217.19550	11.4
219.39418	10.1
227.17865	17.7
229.19502	11.5
255.20869	10.9
271.24310	13.9
283.24069	10.0
355.29788	10.3
423.36121	52.0
441.37454	49.2
459.38446	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	459.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82500	2.4
53.03936	5.2
55.01870	4.3
55.05516	6.1
57.03442	4.5
57.07074	2.9
59.05005	2.6
61.02929	7.2
67.05491	11.4
69.03433	37.3
69.07055	7.8
69.43011	19.7
70.06564	4.7
71.05004	54.5
71.05380	6.3
72.08154	8.0
73.02921	4.9
78.68614	2.8
78.80323	2.6
79.05492	9.3
81.03419	15.0
81.06657	2.9
81.07069	33.7
83.04974	2.7
83.08628	4.6
84.08153	8.0
84.19626	2.5
85.02437	4.7
85.02914	55.4
85.06544	6.1
85.63634	2.7
86.09730	5.3
87.00835	31.9
89.06041	11.0
91.05492	18.0
93.07038	16.9
95.04950	4.5
95.08620	29.1
97.02898	24.2
97.06538	6.1
98.16750	2.6
98.97527	3.4
99.04459	9.3
99.08073	8.1
105.01872	26.2
105.07063	17.6
107.04983	3.3
107.08601	34.4
109.02248	2.7
109.02881	19.1
109.06514	8.8
109.10166	24.4
111.08100	4.5
119.08590	48.2
121.02808	3.4
121.10132	21.1
123.08054	5.3
123.11715	73.5
125.09686	4.7
125.55298	2.9
127.03929	41.5
130.12247	3.4
133.08595	3.5
133.10139	64.4
135.08038	3.1
135.11696	22.6
137.05981	7.6
137.09605	8.0
145.04962	11.8
145.10141	4.7
147.04410	9.5
147.11705	6.8
149.13271	4.7
151.11157	12.1
153.12723	3.1
155.10652	4.5
159.02936	5.8
173.05878	2.7
175.03911	56.6
175.07584	5.1
175.14841	100.0
191.14377	3.9
193.15897	52.3
203.07179	3.4
209.15379	5.3
211.17010	21.3
213.05424	3.3
217.08711	3.3
231.05020	5.0
283.06088	24.4
284.06726	13.1
297.14786	22.5
336.10947	3.0
354.98587	2.6
373.18582	3.7
392.33136	3.2
407.34720	2.9
415.19537	6.7
441.36719	4.5
442.35150	6.0
459.09415	25.9
459.18427	33.2
459.24985	4.6
459.27338	4.9
459.37946	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	459.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01865	4.8
55.05508	8.4
57.03437	3.4
57.07080	2.2
59.04999	2.7
61.02932	2.7
65.03952	1.5
67.05510	17.2
68.99797	1.3
69.03436	19.6
69.07068	12.9
69.87769	2.2
69.88184	5.2
70.06583	1.6
71.05014	6.1
72.08181	1.7
73.02904	4.3
73.30310	1.4
79.05499	6.2
81.03420	11.6
81.07071	23.3
83.04997	9.1
83.08627	5.0
84.08181	1.9
85.02915	29.1
85.06534	5.8
87.00838	8.9
91.03973	1.2
91.05484	6.6
92.75476	1.5
93.07058	19.2
95.04965	5.6
95.08622	39.6
97.02905	8.1
97.06541	2.8
97.10155	2.2
98.20742	1.4
99.04465	7.6
99.08105	55.3
105.01866	7.0
105.07041	10.0
107.08608	27.0
109.02895	11.7
109.06544	6.8
109.10171	92.1
111.08073	4.0
113.09631	2.1
119.08601	44.7
121.10164	13.2
123.08086	9.9
123.11741	10.5
125.09632	6.1
127.03931	20.5
129.01886	1.8
131.08675	1.4
133.10136	39.6
135.04329	1.5
135.11711	96.7
137.05968	2.6
137.09625	21.4
139.11148	2.4
141.05479	3.0
145.04956	5.0
145.10208	1.4
147.11713	3.4
149.13246	7.3
151.11223	9.0
151.14842	9.7
153.12747	2.8
155.10683	12.6
159.02905	6.1
159.11826	1.5
165.09106	2.9
165.16397	4.5
173.13310	1.5
175.14853	70.4
183.38895	1.3
193.15912	75.6
194.16209	3.2
204.68431	1.4
211.16957	100.0
231.05057	5.8
280.12585	1.4
309.07782	2.2
370.29736	1.3
459.14786	3.0
459.22189	2.0
459.28238	3.1
459.38193	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01857	1.7
55.05508	4.1
57.03415	2.1
57.07093	1.0
67.05514	5.9
69.03433	7.3
69.07076	7.0
69.37601	0.6
69.37892	6.0
71.04983	2.0
79.05493	3.5
79.95961	0.7
81.03439	5.2
81.07067	9.6
82.44801	0.8
83.04972	2.1
83.08609	2.9
84.08134	1.1
85.02914	14.2
85.06530	1.5
87.00843	7.7
91.05475	4.6
93.07072	6.1
94.00303	0.7
95.04972	1.3
95.08613	16.6
97.02912	4.4
97.06513	2.6
97.10163	2.1
98.21550	1.5
99.04445	2.5
99.08088	1.7
105.01877	5.2
105.07027	5.0
107.08603	10.0
109.02886	4.4
109.06555	3.6
109.10170	23.3
110.07201	0.8
111.08099	9.9
115.05513	0.8
119.08601	20.2
121.06501	1.3
121.10155	7.2
123.04426	0.8
123.08096	9.4
123.11707	4.2
125.05997	1.0
125.09637	2.3
127.03941	9.5
127.11175	1.3
129.01843	1.0
131.08546	1.0
133.10143	18.6
135.08057	0.9
135.11711	17.9
137.05998	5.1
137.09628	24.6
138.10397	2.4
139.11246	1.2
141.07056	0.7
145.04961	2.9
145.06494	1.5
145.10106	1.4
147.11676	2.0
149.13303	5.1
151.11189	2.4
151.14838	2.6
159.02913	2.2
159.11668	1.0
165.09094	1.2
165.12767	3.3
165.16379	1.7
173.09561	0.8
175.11153	0.7
175.14844	34.2
193.12292	2.5
193.15900	20.3
211.13478	2.9
211.16949	100.0
231.05045	2.0
268.07297	1.6
297.07596	3.4
360.61938	0.7
367.22681	1.3
385.23349	1.0
459.18475	3.2
459.27408	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	459.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93999	0.6
53.03948	0.8
55.01888	0.6
55.05508	2.1
57.03434	1.7
57.07088	1.1
65.03935	0.7
67.05503	2.0
68.99812	0.6
69.03439	5.1
69.07076	2.9
70.96185	1.1
71.04980	1.4
72.08146	2.3
73.02934	0.7
79.05507	2.7
81.03423	4.0
81.07062	11.4
83.08625	1.4
84.08156	1.6
85.02913	6.4
86.09711	1.0
86.88680	0.5
87.00860	2.9
87.04514	0.6
91.05487	6.2
93.07047	7.0
95.04995	0.9
95.08616	15.5
97.02892	7.5
97.06556	0.7
99.04471	2.5
99.08102	3.6
101.00809	0.5
103.05478	0.5
105.01859	1.3
105.07047	13.7
107.04987	0.6
107.08604	9.6
109.02886	2.5
109.06534	2.7
109.07154	0.5
109.10149	2.6
110.06887	0.5
113.09648	2.1
115.05473	0.9
117.07031	2.5
119.04948	1.2
119.08592	47.2
121.02884	1.1
121.10165	1.7
123.08090	0.8
123.11689	2.0
127.03924	5.4
131.04947	0.7
131.08603	1.1
133.10144	58.6
134.10448	0.7
135.11702	12.5
137.09641	1.0
141.01845	1.8
144.05696	1.2
145.04970	2.3
145.06485	2.9
145.10130	0.9
147.04379	3.3
147.11694	3.8
148.49347	0.5
149.02351	1.6
149.13234	0.7
153.01830	1.1
155.06064	1.2
160.12512	0.6
161.03023	0.6
161.05968	0.6
163.03894	2.0
165.01846	13.2
167.03395	3.1
171.04390	1.8
174.13190	0.5
175.14842	100.0
176.15265	1.2
177.01845	1.2
179.03369	0.6
181.05103	0.7
183.02919	2.3
187.03937	0.7
189.01851	0.9
191.03416	1.5
193.15918	11.2
195.02876	2.0
201.12384	1.0
203.03650	0.5
205.04889	0.7
207.02940	0.6
211.16953	6.9
215.03467	0.6
229.11868	1.1
229.98096	0.5
231.03015	0.6
231.05020	2.0
231.17220	0.6
243.03058	1.0
249.06056	0.5
270.30072	0.6
292.07257	1.1
293.08087	3.3
295.06104	1.8
297.07584	3.7
303.09952	0.5
305.08026	0.6
307.09723	4.2
309.07596	62.5
310.07950	1.1
321.07544	5.4
321.11179	1.2
323.09174	2.5
331.09805	1.1
333.07645	1.6
334.08115	0.9
335.05588	0.9
335.09152	13.5
339.08649	47.3
340.09158	1.0
347.09106	1.5
349.07199	0.6
349.10715	10.9
351.08633	0.7
359.09039	1.6
361.07169	0.7
363.08667	24.8
364.08884	0.9
375.08646	5.9
377.10278	2.7
387.08655	4.7
393.04800	0.8
393.09747	14.1
399.22382	0.8
405.09720	13.0
423.10767	15.8
441.11862	12.0
459.12866	8.2
459.27786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08581	1.0
53.03941	2.0
55.01887	2.3
55.05521	4.7
57.03432	1.7
60.50625	1.0
61.02943	1.3
67.05499	3.5
69.03448	8.7
69.07074	4.5
70.06604	5.7
71.04996	3.0
71.52550	1.2
72.08176	7.3
73.02942	1.4
79.05493	3.6
81.03414	5.9
81.07071	10.2
83.04966	1.8
83.08631	1.7
84.08157	7.1
85.02914	19.8
86.09715	13.2
87.00835	8.5
91.03978	1.1
91.05497	6.2
93.07059	12.0
95.08620	19.0
97.02904	7.3
97.06528	1.0
99.04476	3.9
99.08134	4.9
105.01882	7.2
105.07055	12.0
107.08601	11.8
109.02901	6.1
109.06554	1.4
109.10176	4.3
110.07140	1.0
110.15646	1.1
110.71656	1.0
113.09661	2.5
116.07179	1.1
117.07037	1.7
119.08601	58.2
120.08113	2.4
120.08887	1.2
121.10155	4.5
123.11757	5.1
125.09591	1.6
126.12768	1.2
127.03943	13.8
133.10146	90.1
134.10512	1.1
135.11723	20.1
136.07588	1.5
137.05984	2.1
137.09637	1.8
145.04965	5.2
145.10129	2.6
147.04453	1.1
147.11742	3.8
151.03915	1.2
154.04984	4.9
159.02933	3.2
175.14850	100.0
177.05417	1.2
193.15909	25.6
211.13261	1.9
211.16960	14.0
213.31490	1.0
231.05017	3.3
253.10997	2.2
280.08160	1.1
300.89578	1.1
309.07666	2.5
330.38330	1.3
345.14343	1.1
362.72885	1.1
415.19641	2.8
423.10764	1.1
441.12042	1.7
441.17184	5.6
455.59958	1.2
459.17783	7.2
459.27496	1.6
460.19669	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	459.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.01891	1.1
55.05517	1.6
57.03449	0.8
57.07076	0.8
58.06608	0.5
61.02942	0.6
65.03940	0.4
67.05511	1.7
69.03439	3.3
69.07074	3.5
69.52981	1.8
71.05005	1.8
73.02951	0.8
77.03916	0.5
79.05490	3.0
81.03421	3.1
81.06591	0.6
81.07066	10.8
83.08615	0.9
84.08160	1.3
85.02432	0.3
85.02915	8.0
87.00835	3.7
91.05481	4.6
93.07059	5.7
93.12434	0.4
95.04986	1.0
95.08615	11.4
97.02907	2.7
97.06538	0.6
99.04472	1.5
99.08109	2.7
105.01895	3.5
105.07040	10.4
107.08605	8.8
109.02901	3.0
109.06575	0.7
109.10172	1.2
113.09660	1.2
117.07037	1.0
119.08593	40.9
121.10157	1.4
123.11694	1.8
125.06065	0.9
127.03930	4.9
131.08559	1.6
133.10144	52.2
134.10513	0.5
135.08099	0.4
135.11703	10.5
137.05995	0.8
137.09631	0.7
145.04945	2.1
145.10097	0.7
147.11719	3.1
153.12901	0.4
159.02879	1.4
160.12563	0.5
163.03874	0.6
173.13281	0.7
175.14842	100.0
176.15182	1.2
181.04953	3.7
193.15900	8.7
211.13458	2.2
211.16946	4.4
231.05017	1.0
252.08725	0.7
279.17960	0.4
300.31622	0.4
329.11490	0.5
339.08801	0.4
395.43048	0.4
459.18555	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	459.2019
Annotation	Aceroside IV
Peak:m/z	Relative Intensity
52.71045	0.3
53.03953	0.8
53.14700	0.3
53.27927	0.3
55.01871	0.6
55.05527	0.3
57.03430	0.8
57.07089	0.4
58.06604	0.4
61.02916	1.3
65.03956	0.6
67.05493	1.3
67.65829	0.3
69.03437	5.1
69.07079	0.4
70.06593	0.6
70.17442	0.3
70.42058	1.0
70.42407	0.3
71.04974	1.3
72.08163	0.4
73.02916	1.0
79.05499	1.1
81.03435	2.9
81.07072	3.9
85.02913	9.8
87.04466	0.8
91.03971	0.8
91.05489	6.4
93.07045	2.2
95.04974	0.4
95.08633	3.1
97.02910	4.2
99.04470	0.6
102.34512	0.3
103.05498	0.8
105.03427	0.5
105.07050	1.4
107.04961	0.7
107.08601	1.6
109.02900	1.6
109.06500	0.4
109.10167	7.7
115.05495	0.4
119.04955	3.4
119.08570	0.9
121.06517	0.7
121.10157	4.4
123.04463	0.5
123.11725	11.1
127.03949	3.3
131.04935	1.0
131.08611	0.5
133.06500	0.8
133.10167	0.5
134.70535	0.3
135.11688	1.8
137.06044	0.5
137.09610	0.4
143.08578	0.3
145.04979	2.1
145.06477	0.6
147.04431	14.4
149.05974	0.5
149.09625	0.4
151.03923	1.1
151.07596	0.4
154.06277	0.7
159.04469	0.8
163.03949	0.7
163.07578	1.0
165.09114	2.0
167.07059	0.4
175.03926	100.0
175.14873	0.7
176.04272	0.8
177.05463	2.2
187.03952	1.3
189.03917	0.3
189.05486	6.3
195.10143	1.8
199.03915	0.5
201.05547	1.2
203.07040	2.3
210.09947	0.5
213.05495	0.9
215.07094	0.6
216.06633	0.5
217.08624	1.8
227.07104	0.6
229.08687	0.4
241.08620	2.2
255.10197	1.8
295.13422	0.5
297.14883	52.0
298.15103	0.6
309.14801	0.9
321.14972	0.5
342.10727	0.5
397.18314	0.5
441.17392	2.9
459.20325	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
54.12220	0.8
55.01875	1.4
55.05504	2.5
57.03423	1.2
67.05506	1.3
67.50455	1.1
69.03447	5.4
69.07067	2.9
69.28720	2.4
69.29117	6.9
69.64063	0.9
70.06602	6.0
71.04991	1.5
72.08170	5.5
74.27161	0.8
75.43159	0.9
76.22308	0.9
79.05502	2.8
81.03428	5.4
81.07076	8.6
84.04509	1.0
84.08144	3.2
85.02920	12.3
86.09715	7.7
87.00853	5.1
91.05491	6.3
93.07057	7.2
95.08620	13.9
97.02921	3.7
98.65008	0.9
99.04497	2.3
99.08098	4.6
105.01871	6.2
105.07033	12.2
107.08617	9.2
109.02895	4.3
109.10107	1.2
117.07066	1.6
119.08595	54.7
121.10152	1.4
123.11724	2.1
125.09637	0.9
127.03929	7.7
131.08577	2.1
133.10144	82.8
135.11710	17.6
145.04970	3.2
147.04420	1.6
147.11694	1.9
159.02881	2.1
160.52251	1.1
175.14845	100.0
176.15260	1.0
193.15897	17.0
211.17001	8.8
213.04190	1.0
406.26883	1.1
415.19223	2.0
459.18335	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	459.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	1.0
59.05005	5.8
60.09282	0.4
61.02920	0.5
67.05476	0.7
69.07072	22.5
69.36271	3.0
79.05460	1.7
81.07048	0.8
85.06544	8.2
87.04465	1.7
91.05477	0.6
97.06537	5.2
101.09627	1.3
107.04922	0.6
109.02843	0.4
118.04176	0.5
121.06505	2.8
129.09122	9.8
133.02763	0.4
135.04420	5.2
137.02286	0.4
139.00240	0.4
141.40022	0.4
146.03612	0.5
148.05205	1.8
161.05984	0.4
168.00560	0.9
169.01283	1.4
169.04996	0.7
181.74510	0.3
183.02922	1.9
186.01540	0.7
188.10922	0.4
195.02847	0.5
198.96939	0.3
217.04941	0.6
229.04854	0.5
239.03416	0.4
242.05678	1.9
245.04431	2.2
246.02821	0.4
256.03827	0.6
257.04404	4.9
258.05115	0.4
259.06012	0.6
260.06827	0.4
267.02707	0.6
269.04456	0.5
270.05334	0.8
271.05933	0.4
273.03967	0.9
285.03952	12.6
285.07068	0.4
286.04706	0.8
287.05475	2.0
288.06348	1.9
299.05707	0.9
301.03754	0.7
301.07004	4.4
311.05469	0.6
312.06378	0.5
313.07025	0.7
315.04990	5.5
316.05783	48.4
317.06113	0.8
329.06528	10.1
330.07330	5.3
331.08121	100.0
332.08374	1.4
459.16519	69.7
460.17111	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1654
Annotation	deoxytryptoquialanone
Peak:m/z	Relative Intensity
59.04969	1.6
67.05452	0.5
67.72897	0.5
69.07073	10.0
69.94007	2.2
70.32394	0.5
71.94115	0.5
85.06493	1.4
97.06475	2.2
98.21463	0.7
108.85909	0.5
121.06472	1.9
129.09073	1.9
135.04442	2.6
139.03920	0.5
146.03610	0.7
148.05139	1.5
149.78336	0.5
168.00548	0.8
169.01266	1.1
183.02924	2.6
195.02927	0.5
217.04849	0.7
223.73209	0.4
232.52115	0.5
242.05721	2.2
245.04581	1.5
256.03595	0.9
257.04492	4.3
259.06003	0.9
269.04587	0.6
270.05234	0.8
273.03867	1.4
285.03979	12.3
287.05518	2.8
288.06244	1.8
301.03693	0.8
301.07065	2.7
302.31125	0.5
312.33908	0.5
315.04965	4.4
316.05792	51.8
317.05850	0.6
329.06619	5.6
330.07315	2.9
331.08136	100.0
332.08566	1.4
459.16544	62.1
460.16742	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.05507	26.1
57.07080	6.8
62.21561	3.6
66.44355	3.7
67.05508	51.9
69.03436	22.5
69.07074	26.9
69.51755	18.8
71.04994	7.3
79.05503	29.8
81.06593	6.4
81.07065	100.0
81.37048	3.6
83.08601	13.2
87.15651	3.6
91.05505	26.9
93.07051	73.3
95.04947	6.9
95.08615	85.5
97.06522	10.8
99.08051	4.5
105.07039	44.2
107.08609	87.3
109.06548	9.0
109.10161	66.5
111.08099	5.5
119.08582	50.9
121.10152	52.5
121.54899	4.2
123.08044	7.7
123.11718	35.1
125.09660	18.2
127.11203	8.0
131.08577	12.8
133.10121	30.9
135.11699	50.2
137.09578	7.0
137.13354	9.3
145.10098	19.2
147.11707	22.8
149.13258	31.0
151.11151	15.6
157.10141	6.2
159.11707	17.1
161.13228	21.2
163.14828	12.4
171.11684	4.0
173.13307	11.6
175.14847	15.3
177.16451	4.9
185.13162	6.2
187.14845	12.5
189.16396	13.7
191.17932	22.6
199.14815	7.1
201.16391	9.9
203.17999	8.9
213.16330	6.2
215.18073	5.5
217.19547	9.2
227.17955	5.3
229.19681	6.7
231.21085	7.6
242.48447	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	459.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	20.6
60.46519	1.6
61.02926	6.3
69.03449	4.3
69.54133	10.7
70.06584	4.0
71.01360	4.1
72.08137	4.4
74.57965	1.6
79.80997	1.8
81.03399	3.7
85.02922	14.3
86.03181	2.0
91.01904	1.8
91.03474	1.6
91.05473	2.2
93.03426	5.1
97.02885	8.1
98.20698	2.8
103.03961	2.0
105.03378	2.5
107.01174	2.0
107.04955	2.9
109.02856	5.7
115.05459	2.1
115.42442	1.5
119.04945	7.7
121.02855	11.4
121.13113	1.8
123.04446	6.2
125.02203	1.8
128.07080	2.7
131.04898	2.9
135.04410	3.6
137.05971	7.6
139.03839	2.9
145.06477	4.6
147.04355	4.0
151.03920	5.1
151.07497	2.0
153.01790	2.2
159.04427	5.5
160.07591	2.0
161.02359	1.8
163.03905	9.3
164.04283	1.9
165.01831	3.9
165.05501	6.4
171.02937	2.5
171.04410	4.7
173.02335	2.2
173.05983	5.4
174.06287	3.0
175.03952	14.2
176.04259	7.2
177.01836	9.5
177.05463	6.3
181.04973	6.5
187.03935	12.1
189.01843	9.9
189.05499	2.9
191.03358	9.9
193.04988	6.8
195.02896	18.0
199.04001	4.0
201.01860	3.2
201.05466	9.7
202.05859	4.5
203.03471	10.6
203.07106	2.1
203.72722	2.0
205.04950	11.3
207.02895	63.4
211.03899	4.0
215.03389	15.8
217.04938	5.0
219.02933	18.6
219.06453	4.7
221.04460	13.4
223.05893	2.4
225.03900	20.9
225.05659	2.3
227.03362	5.3
229.04970	12.5
231.02934	13.3
231.06532	2.0
232.09706	14.8
233.04500	39.1
233.10017	27.5
235.05994	2.3
237.03920	27.9
239.03302	3.0
241.04968	2.6
243.03043	8.7
243.06622	3.5
245.04430	11.4
247.02446	3.7
247.06020	19.9
249.03981	26.2
251.05586	3.4
253.05031	2.3
255.02921	7.4
257.04486	23.9
259.06042	6.4
261.03952	64.4
263.05450	11.1
265.03421	4.4
267.03021	8.7
267.88284	2.1
269.04474	2.1
271.06094	12.0
273.03940	46.0
275.05521	37.7
278.10233	30.5
279.05267	14.3
279.10593	68.6
283.06256	2.6
285.03970	28.7
287.05545	10.2
289.07034	5.5
291.05054	21.3
296.11301	7.8
297.11667	17.8
299.05408	10.1
301.03461	3.3
303.05017	51.1
309.06085	86.3
311.05270	2.2
314.04276	3.4
315.04922	6.5
317.06442	6.4
321.06030	12.6
327.04892	13.0
329.06418	3.5
333.06018	2.7
339.07172	48.2
341.06674	3.2
345.06027	15.2
357.06155	6.2
359.07877	1.8
363.07098	100.0
369.06021	3.2
375.07074	41.7
381.07599	2.0
387.07184	40.4
393.08197	26.6
405.02893	2.0
405.08215	38.3
418.42050	1.9
423.09271	32.9
441.10239	21.2
441.15884	11.0
459.16574	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	458.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
53.75142	2.2
55.05503	11.3
57.07076	4.0
62.05596	2.3
67.05513	25.1
69.07079	34.2
70.58208	7.0
70.91938	2.3
71.04992	6.8
77.39013	2.5
79.05502	17.8
81.07069	71.7
83.08629	7.2
91.05499	12.0
93.07047	20.8
95.08617	46.3
97.10149	3.0
105.07047	16.8
105.65667	2.2
107.08605	26.2
109.10175	100.0
109.10934	4.7
111.11709	2.5
117.06995	4.0
119.08598	13.7
121.10147	16.0
123.11703	15.3
125.09660	6.9
127.11209	40.5
130.83545	2.4
131.08583	7.6
133.10139	15.4
135.08163	2.4
135.11705	12.0
137.13306	5.2
143.08556	4.6
143.10736	3.3
145.10150	10.5
147.11713	11.0
149.13289	8.7
154.18109	2.8
157.10187	4.0
159.11668	7.5
163.14847	2.8
173.13274	3.4
175.14833	11.1
185.13200	3.1
187.14871	4.1
189.16490	3.0
190.97350	2.5
201.16435	4.0
202.17638	2.6
203.17957	2.5
207.75050	2.3
229.19659	3.9
231.17621	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	458.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	9.7
55.01664	1.9
55.01881	18.3
55.05510	12.2
57.03437	6.1
57.07060	2.4
65.03923	1.7
67.05512	48.3
69.03435	36.8
69.07066	9.0
70.51830	1.6
71.05009	13.6
71.52292	1.6
73.02918	10.7
77.03944	2.0
79.05503	34.7
81.03428	41.5
81.07067	47.4
83.04984	4.1
83.08617	4.2
85.02924	10.2
91.05487	16.7
92.57980	1.7
93.07053	42.5
95.04984	1.6
95.08617	41.1
97.02905	54.6
97.06553	3.0
97.10203	2.3
99.04467	68.9
101.02420	2.6
105.07031	12.6
107.08607	18.5
109.02888	37.1
109.06548	2.1
109.10155	23.1
111.04460	11.1
111.08071	2.1
117.07025	5.9
119.08587	13.9
121.10168	24.0
123.08082	1.7
123.11719	12.4
127.03937	100.0
129.05493	4.2
131.08549	9.1
133.10147	11.0
135.11713	16.3
137.13301	3.0
139.11176	1.9
143.08597	2.3
145.04996	22.2
145.10165	8.6
147.11687	10.6
149.13281	9.6
157.10126	2.3
159.11690	7.5
161.13274	6.1
163.14851	2.4
173.13272	6.5
175.14804	2.4
177.12772	1.6
187.14888	2.5
201.16370	1.8
241.19514	3.4
243.21176	6.5
245.15640	1.9
259.20770	4.9
261.22171	24.9
277.21637	5.5
279.23206	5.1
303.23135	2.0
312.65222	1.6
315.23117	2.8
327.23398	1.7
357.24228	3.3
369.24319	5.2
381.07748	2.0
387.25342	3.6
405.26498	8.4
423.27423	41.7
451.13455	1.7
458.23862	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	458.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66611	3.4
53.03941	16.6
54.61758	3.7
55.01865	5.9
55.05516	32.2
57.03418	12.7
59.53485	3.5
63.57449	3.5
65.03949	5.7
67.05190	7.5
67.05514	95.5
69.03440	52.2
69.06750	4.2
69.07073	31.6
69.84419	21.1
71.04994	7.8
79.05502	73.0
81.02997	6.9
81.03429	92.6
81.07068	100.0
83.04979	14.7
83.08612	14.9
85.02916	37.4
91.05492	52.0
93.07050	91.3
95.04950	12.6
95.08621	73.7
97.02911	46.0
97.06546	8.5
99.04443	13.4
103.03940	6.2
105.07047	50.2
107.08598	50.4
108.04495	10.6
109.02882	24.9
109.06513	10.7
109.10176	36.3
111.04464	9.5
111.08083	5.4
117.07034	25.6
119.08600	36.5
121.06532	7.6
121.10145	45.9
123.08031	5.4
123.11716	12.2
123.27176	4.1
125.78117	4.2
127.03957	21.4
127.45866	4.2
128.06184	4.8
129.07016	12.6
131.08597	40.1
133.06485	5.0
133.10149	28.2
135.08035	8.7
135.11731	29.6
137.06044	4.2
139.11180	4.6
143.08540	11.8
145.06493	4.1
145.10153	25.3
147.08078	4.9
147.11697	21.5
149.09613	5.6
149.13242	20.5
151.07501	4.7
155.08543	9.4
157.10106	11.2
159.08075	5.4
159.11743	25.7
161.09598	4.5
161.13266	14.4
163.11253	5.5
163.14847	5.4
168.40341	4.0
169.10123	8.1
171.11652	10.3
173.13258	17.3
175.11217	4.2
175.14775	6.1
183.11731	6.6
185.09857	4.0
185.13326	13.6
187.14737	7.2
195.11783	6.2
199.14815	9.3
201.16461	4.4
203.10760	3.7
212.00279	4.0
215.14256	5.7
235.13205	4.9
241.19601	5.4
243.20990	6.1
247.16914	5.2
259.20419	6.1
261.22141	23.1
269.18698	4.3
273.17871	4.8
273.22073	7.9
275.23682	4.1
277.14362	7.9
277.21570	6.4
287.16672	4.6
289.21863	6.9
291.23318	6.0
295.15482	7.9
297.22241	3.9
301.21548	6.3
303.23138	17.5
315.23270	11.8
327.23166	7.5
331.22714	5.5
341.24841	9.9
351.23166	16.5
359.25906	6.7
369.24237	34.6
387.25412	29.3
405.26349	41.4
423.27518	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	458.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01866	7.6
55.05517	8.5
56.25499	1.8
58.06591	2.3
65.21353	1.5
67.05500	3.5
69.03445	3.8
69.07085	2.0
70.06586	14.4
71.04976	2.6
71.53281	2.1
72.08157	45.9
73.95985	1.5
79.05499	32.0
80.46776	1.5
81.03415	7.2
81.07056	13.6
83.04982	2.2
84.04534	2.0
84.08141	8.5
85.02905	7.9
87.62402	1.7
88.07629	4.6
90.09189	2.5
91.05486	30.3
93.07043	14.9
95.04972	32.9
97.02892	3.5
98.06055	8.2
103.05454	5.6
105.06379	3.1
105.07033	27.8
107.04952	7.2
107.08627	3.0
109.02929	2.7
111.04443	2.2
115.05473	2.2
116.07083	2.4
117.07021	16.4
119.04967	2.7
119.08587	34.9
120.08142	2.0
121.06509	100.0
121.10125	10.2
123.08070	3.8
127.03905	2.2
128.06219	5.6
129.06998	7.0
131.04942	4.1
131.08591	5.7
133.06494	6.4
133.10071	2.6
138.09131	3.3
139.09946	1.9
143.08560	11.3
145.10124	16.7
147.04399	4.4
147.08057	51.2
149.06035	2.2
149.09621	7.4
152.10854	2.2
161.09634	16.1
163.11191	10.3
171.08031	3.3
177.05519	3.0
189.09073	13.9
191.10599	2.5
207.10214	11.4
208.13358	4.0
209.11684	4.1
218.15413	28.3
218.88359	1.7
220.13376	3.1
236.16400	6.8
260.16473	92.6
278.10309	2.7
278.17523	98.4
296.11298	5.0
296.18588	69.7
296.21198	1.3
440.15759	3.7
440.22495	2.6
458.17361	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	458.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19623	1.3
53.03946	4.2
55.01866	3.8
55.05518	2.4
57.03433	2.1
58.06606	10.9
59.05002	1.3
65.03955	1.5
67.05512	9.2
69.03436	6.4
70.06602	34.8
71.04983	3.4
72.08167	6.6
79.05502	22.1
81.03426	6.6
81.07066	66.2
83.04988	6.2
84.08160	7.9
85.02900	7.2
86.09691	3.0
88.04001	1.6
88.07646	22.4
91.05494	21.3
91.24846	1.4
93.07063	11.2
95.04981	8.2
95.08602	2.2
96.21040	1.3
97.02892	3.4
98.06062	3.6
98.21564	2.5
100.07613	2.2
103.05454	2.3
105.07046	68.1
106.08680	6.0
107.04967	3.7
107.08633	8.9
109.02893	4.4
109.06520	3.8
110.07196	1.8
111.04446	3.0
115.05454	2.6
117.07027	26.6
119.07336	2.3
119.08587	9.8
120.07640	2.0
121.06517	2.2
121.10145	5.0
123.04469	2.4
123.08037	2.0
124.03960	1.7
126.05565	1.9
127.03941	3.4
128.07088	2.0
129.06967	4.2
130.07768	3.9
130.08673	2.2
131.04951	1.9
131.08569	18.2
133.06451	2.3
135.04468	2.5
135.11688	3.0
143.08559	4.3
145.06531	4.5
145.10138	49.5
147.08049	3.8
147.11699	6.0
148.07603	3.0
149.09628	2.2
155.08553	2.8
160.07625	3.2
163.03940	2.5
163.11188	5.9
164.32599	1.3
171.06795	1.9
172.09698	2.4
173.09628	17.1
182.04982	3.2
190.12369	1.8
191.10725	12.4
202.08740	6.8
208.02924	3.2
226.45450	1.4
232.09708	2.5
242.15508	3.4
248.16454	1.4
260.16458	18.7
270.86151	1.4
278.10492	3.9
278.17542	66.0
296.13394	15.0
296.18597	100.0
306.15634	1.5
316.13654	1.5
317.13971	3.3
324.58618	1.7
430.22665	1.8
440.15567	3.6
440.22260	1.5
457.81149	1.4
458.17828	16.0
458.24023	5.0
473.91818	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01862	4.0
55.05500	2.8
57.03430	1.8
58.06604	10.6
63.89582	1.3
64.02187	1.1
67.05517	7.4
69.03437	7.3
69.45464	9.3
70.06601	32.3
71.04984	2.9
72.08148	4.6
79.05495	23.2
81.03425	6.0
81.07066	64.1
82.06574	1.8
83.05008	7.0
84.04493	2.5
84.08159	15.6
85.02908	9.0
85.90826	1.1
86.06069	2.0
86.09718	5.9
88.03998	2.0
88.07640	20.0
91.05491	22.4
91.80913	1.1
93.07045	12.8
95.04984	6.4
97.02896	4.6
97.06532	1.3
98.06071	2.9
99.04446	2.4
103.05458	3.2
105.07041	53.7
106.02940	1.8
106.08673	6.5
107.04951	2.8
107.08609	7.4
109.02892	3.5
109.06528	3.9
111.04426	3.5
115.05481	1.4
116.07086	4.5
117.07030	21.5
119.04928	1.6
119.07316	1.5
119.08617	8.7
121.02847	2.5
121.06498	2.9
121.10115	5.0
124.03920	1.8
125.06041	1.2
126.05529	2.2
127.03923	3.2
128.07080	6.5
129.06990	4.1
130.07808	2.7
130.08638	2.8
131.04906	2.1
131.08588	13.2
133.02840	1.2
133.06499	3.4
135.04356	1.8
135.11699	3.2
138.33191	1.3
143.08546	3.3
145.06474	4.3
145.10141	44.6
147.08035	2.7
147.11679	4.8
148.07553	2.9
149.06046	1.7
155.08524	1.5
160.07639	5.7
163.03923	3.5
163.11215	6.8
165.05504	1.2
173.09639	15.2
175.03905	2.3
177.05415	1.9
181.04948	2.0
189.05388	1.4
191.10701	14.1
193.04907	5.7
199.18074	2.1
201.05487	2.4
202.12369	1.6
205.04944	3.9
219.03049	1.3
219.06573	2.1
220.13368	1.9
223.05899	2.4
232.09630	1.3
232.12955	1.7
242.15414	3.2
247.06015	3.1
256.11969	1.3
260.16470	18.0
261.03955	1.8
271.06052	2.0
274.12949	2.0
278.10355	5.6
278.17548	62.0
289.07028	1.5
296.11295	3.3
296.18600	100.0
317.14188	2.1
338.12347	3.5
343.10263	10.0
362.12167	2.4
422.14316	3.9
422.22162	1.4
440.15604	19.5
440.21625	1.6
458.16632	14.6
458.23770	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	458.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66311	0.4
57.52831	0.4
62.58699	0.4
63.31903	0.3
69.36413	2.8
70.06600	57.4
84.08146	0.8
98.14897	0.3
114.89371	4.3
116.07104	100.0
116.89116	0.7
117.07449	0.5
171.06189	0.3
261.99515	0.5
285.94165	0.4
381.07684	0.4
397.77118	0.4
458.11484	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46866	1.4
65.03950	1.7
69.67754	7.8
72.08156	4.3
79.05483	3.2
81.03411	1.9
91.05509	2.2
97.49880	1.5
103.05478	3.8
107.05022	1.5
115.05468	11.8
117.07011	2.5
122.03687	2.5
128.06203	2.5
129.07031	11.2
131.04913	8.1
135.04433	100.0
137.05995	56.2
143.04924	20.8
145.06496	14.3
149.05986	1.6
151.03970	4.2
151.07567	3.2
153.05498	2.5
157.06488	10.4
159.04417	2.8
160.05243	8.8
161.06018	5.9
163.07603	2.1
172.05316	2.3
173.06003	81.2
174.06779	1.5
175.06055	2.9
175.07571	45.2
185.05984	33.0
185.07489	2.5
187.07562	28.1
189.09160	7.7
203.07034	30.6
203.08522	2.3
203.10527	1.3
205.08569	7.1
215.07048	4.9
217.08604	5.2
219.08118	4.3
231.08141	5.1
233.08090	27.4
235.09735	6.3
237.05446	2.1
238.06317	1.6
247.07516	2.2
249.09167	2.1
259.07611	2.7
261.09128	2.8
263.10757	1.7
268.07394	2.4
269.08118	6.0
277.08691	1.8
281.08374	1.5
289.08679	6.5
291.10211	2.6
309.11298	6.1
321.11298	8.8
334.68494	1.4
339.12286	10.3
368.68909	1.6
387.15747	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01860	3.5
55.05505	2.5
55.82334	1.2
57.03421	1.5
58.06590	2.1
61.02929	2.0
67.01868	1.8
67.05488	3.1
69.03421	4.0
69.07041	1.1
69.58836	0.9
70.06593	27.2
71.04987	3.5
72.08154	9.1
79.05496	7.7
81.03410	3.5
81.07056	15.7
83.04968	3.1
84.08144	9.6
85.02911	7.5
86.80325	0.9
88.03973	1.4
88.07617	4.2
91.05485	7.9
93.03391	3.1
93.07045	6.2
95.04954	3.1
95.06136	1.4
95.08591	1.0
97.02905	6.8
97.03419	1.2
98.06040	2.9
99.04456	2.6
103.03943	3.4
105.03381	1.5
105.07037	13.7
106.02924	1.5
106.08670	1.2
107.04942	4.0
107.08604	2.2
109.02873	2.6
109.06494	1.5
110.07155	2.7
111.04414	3.3
116.07097	45.6
117.06992	5.6
119.08542	5.4
121.02863	5.9
121.06503	2.0
121.10155	2.8
123.04429	1.7
124.03970	2.7
127.03902	2.7
128.06226	1.5
128.07071	3.2
129.07016	1.3
130.07788	1.6
130.08632	10.7
130.60811	1.1
131.04921	4.3
131.08572	3.0
133.02864	1.0
133.06505	1.5
135.04414	4.8
137.02458	1.2
139.03906	4.0
143.08537	2.3
145.06456	2.8
145.10133	7.4
147.04370	2.2
147.08044	2.7
148.07570	4.2
149.05946	2.9
151.03891	2.7
159.04414	6.1
160.07578	7.1
161.05986	1.4
161.09647	2.0
163.03903	9.7
165.05501	1.0
167.03410	1.7
173.06024	2.0
173.09602	2.4
175.03926	8.9
177.05481	14.2
181.04956	24.9
185.05899	1.0
187.03908	8.8
189.05437	1.7
189.09076	2.5
191.07082	2.1
191.10622	2.2
193.04961	29.3
201.05431	6.3
202.12291	1.2
202.83020	1.0
205.04967	32.6
207.06517	1.0
213.05434	3.0
217.05038	1.9
219.06522	10.7
223.06003	36.0
225.05576	1.9
229.04997	2.5
231.06494	3.2
232.06917	1.1
232.09613	2.7
233.08026	1.1
235.05933	1.9
241.04922	2.0
243.06483	3.2
247.06026	20.8
248.06410	1.4
253.04933	2.0
259.05978	7.9
260.06308	2.3
260.16473	7.1
261.07428	1.5
262.08551	1.4
271.05988	5.9
277.07071	12.4
278.07434	1.5
278.10193	5.4
278.17517	20.4
289.07071	13.0
294.13287	2.5
295.13687	3.1
296.11160	1.9
296.13983	3.2
296.18542	26.3
307.08115	8.4
308.08456	2.4
314.07385	1.0
325.09174	8.6
328.11810	1.0
338.08939	1.1
338.85672	1.1
343.10245	100.0
362.09360	3.1
374.09314	1.9
386.09558	1.8
404.10666	2.0
427.14902	1.7
440.10120	1.2
440.15698	7.4
458.18195	5.1
458.25467	5.2
458.30368	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
57.03436	0.5
58.06601	0.8
61.02929	1.6
69.03435	3.3
70.06576	0.6
70.68850	0.8
71.04990	0.4
73.02917	1.3
75.89901	0.3
79.05495	0.4
81.03425	2.9
82.06589	1.1
84.08138	3.2
85.02908	7.4
87.04477	0.9
88.03992	3.5
91.03941	0.5
91.05491	1.4
93.03398	1.7
93.07043	0.4
95.04985	0.6
97.02896	3.2
99.04451	0.6
100.07648	0.4
109.02869	1.1
110.07159	0.7
117.07053	0.5
121.02869	3.7
121.06479	0.6
124.07611	1.9
127.03892	1.8
128.07083	4.6
133.06487	0.6
135.04391	0.4
137.06015	0.4
141.05417	0.5
145.04947	0.9
147.04402	0.5
149.05997	0.7
151.03925	0.9
151.07539	0.7
153.01791	0.7
153.05479	0.6
160.07532	0.9
161.05971	1.3
163.03882	2.5
165.05467	0.5
167.07004	0.4
175.03876	0.7
175.07472	0.5
177.05481	3.3
179.07048	2.5
181.05000	2.5
187.03925	1.8
191.07053	0.9
192.10258	0.8
193.04985	5.7
195.06590	2.4
197.04410	0.4
201.05492	1.4
203.06989	2.6
205.04964	12.0
207.06578	0.4
208.09700	1.0
209.08105	2.0
210.11304	1.5
216.10262	0.5
219.06529	6.9
220.06758	0.4
221.08112	5.5
229.04958	2.1
232.09746	0.6
234.11264	0.9
236.02782	0.3
237.07628	0.7
247.06035	3.1
250.10759	16.0
252.12267	1.4
254.10284	1.5
265.07132	3.8
278.10153	1.0
296.11298	100.0
297.11606	1.1
302.07498	0.5
402.73639	0.4
440.16162	0.3
458.16525	6.9
458.23407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1658
Annotation	Calanthoside
Peak:m/z	Relative Intensity
51.64432	0.3
51.70819	0.4
51.87397	0.3
53.46293	0.3
57.03433	0.4
61.02932	0.5
69.03432	2.1
71.15842	0.4
76.44744	0.3
81.03399	0.7
82.06584	0.5
82.84913	0.3
85.02919	3.0
88.03986	0.5
91.03970	0.4
93.03383	0.7
97.02892	1.3
109.02872	1.3
117.07059	0.3
117.83932	0.3
119.05019	0.5
121.02867	0.8
124.07632	0.3
127.03902	0.8
128.07077	1.3
129.07013	1.0
140.53659	0.3
145.04984	0.4
145.06483	0.8
147.04404	1.3
147.08020	0.5
151.03906	0.8
157.06424	0.5
161.05920	0.4
163.03920	1.5
165.05409	0.9
168.59563	0.3
173.05988	5.4
175.03917	20.5
175.07462	2.1
177.05473	1.0
185.06000	0.5
189.05489	0.5
191.07051	1.5
201.05470	9.5
203.07047	1.6
205.05029	0.4
205.08655	0.4
214.08646	1.1
216.10199	1.4
219.06552	1.4
229.04984	2.7
232.09702	37.5
247.06032	3.3
278.10245	100.0
279.10620	1.2
296.11301	22.3
392.60474	0.3
440.15576	13.3
458.16629	6.8
460.58307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68474	0.7
53.03959	0.9
54.51435	0.7
55.01869	2.6
55.05538	0.7
57.03425	1.4
58.06591	0.8
61.02915	3.4
67.01865	2.0
68.99795	1.4
69.03445	4.5
69.41351	6.1
70.06598	31.9
71.04983	1.0
72.08165	3.9
73.02908	2.1
79.05522	0.7
81.03422	2.1
82.06585	1.5
84.08150	7.4
85.02908	11.7
86.09715	5.8
88.03979	3.0
91.05468	2.8
93.03390	2.0
94.03756	0.8
95.04967	1.6
97.02902	3.8
99.04496	1.0
104.10740	1.2
105.07012	0.7
107.05013	0.8
109.02882	2.9
111.04453	0.9
116.07100	68.9
119.04949	4.4
120.05258	1.8
120.08090	0.8
120.38845	0.7
121.02017	1.0
121.02878	19.6
122.03204	7.5
124.07587	1.0
127.03909	2.4
127.42117	0.7
128.07114	3.6
129.10274	1.6
135.04402	2.4
139.03925	4.0
145.02843	1.7
146.03185	1.4
147.04362	1.3
151.03943	1.3
159.04372	1.0
161.06020	1.3
163.03912	27.6
173.06032	1.1
175.03958	0.9
176.01038	1.0
177.01776	2.2
177.05536	5.0
178.02106	0.8
179.03407	2.1
179.07021	1.7
180.03831	0.8
181.04970	75.2
184.07306	1.1
187.03917	2.2
189.01900	3.0
190.02335	2.6
191.03267	1.6
191.06992	1.8
192.03828	1.1
192.10245	0.9
193.05019	5.0
195.02878	2.0
195.06610	2.7
196.03262	1.7
201.05391	1.8
202.05870	1.0
203.07051	2.1
205.04964	11.3
206.05322	1.0
207.02879	2.5
208.03282	3.0
209.08095	2.1
210.11255	0.9
215.10590	1.0
216.10318	0.8
219.03014	1.0
219.06499	6.4
220.03407	1.0
221.08002	4.8
229.05016	3.1
230.05298	1.3
233.04485	1.2
234.04832	1.5
247.06172	2.6
250.08174	1.4
250.10741	15.1
252.12386	1.0
254.10269	1.8
264.07382	1.2
265.07114	3.2
267.06467	1.7
268.07156	2.2
269.07825	4.1
270.08923	0.9
280.06860	3.6
281.07825	1.7
282.08643	1.1
284.06476	1.6
285.04099	1.3
286.04309	1.1
293.07990	1.4
293.88879	0.8
294.05402	1.6
294.08502	2.6
295.05893	10.8
295.09204	1.2
296.06503	16.3
296.11316	100.0
297.07285	5.7
297.10284	0.9
298.07977	4.8
305.08102	0.9
306.08719	1.0
307.06052	6.2
308.06424	22.7
309.07220	12.0
310.07843	2.6
313.07050	1.1
314.07440	2.2
319.09448	1.1
320.06378	3.7
320.46002	0.8
321.07410	2.4
322.07986	7.3
323.08698	8.5
324.05997	1.4
324.09540	3.3
325.03549	1.1
325.07040	21.3
326.07425	72.7
327.07874	1.0
330.08698	0.8
334.08002	1.3
335.09207	0.8
336.05991	1.3
336.09613	1.1
337.06964	7.6
338.07425	36.6
338.10843	1.4
348.09540	3.6
349.07010	1.1
350.07510	2.3
351.08630	3.7
352.05020	1.1
352.09042	17.7
358.07919	1.7
362.07422	1.4
364.09039	1.6
366.07361	0.8
366.10675	7.9
367.08191	1.0
368.08560	6.0
376.08997	5.2
379.08142	6.3
380.08505	49.1
386.07773	0.9
392.08490	12.6
394.09961	1.9
404.08453	15.6
409.09116	0.9
410.09589	18.8
420.64453	0.9
422.09598	20.4
440.10590	28.3
458.11542	76.3
458.16888	11.9
458.22696	2.8
458.24060	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.368
Annotation	5,19-Epoxycucurbita-6,23-diene-3,25-diol
Peak:m/z	Relative Intensity
53.03951	6.1
55.01884	2.9
55.05519	24.8
56.51024	2.0
57.07090	10.8
59.05007	63.7
63.56979	1.9
65.03935	2.5
67.05515	39.5
69.03431	4.9
69.06719	4.1
69.07076	43.5
70.72550	4.2
70.72878	2.2
71.05005	24.4
71.08680	2.0
73.06577	2.6
79.05499	40.9
81.07066	96.4
81.63478	2.0
83.05003	5.9
83.08622	17.4
85.06541	10.4
91.05485	30.2
92.17282	2.1
92.91869	2.5
93.07056	78.9
95.05010	5.5
95.08617	100.0
96.20512	2.1
97.06554	9.6
97.10187	11.0
99.08110	20.3
103.05455	2.5
105.07047	50.8
107.07886	4.2
107.08611	83.7
109.06555	6.2
109.10165	74.3
111.08093	13.6
111.11732	3.7
113.09679	6.2
117.07068	11.6
119.08591	56.6
121.06542	4.1
121.10153	60.1
123.08109	6.8
123.11714	33.7
123.12463	3.0
125.09671	14.6
127.07566	12.7
127.11185	18.2
128.06229	3.7
129.07031	8.5
131.08585	26.9
133.10152	42.8
133.11108	3.4
135.08078	12.3
135.11703	54.0
137.09677	6.5
137.13290	11.9
139.11241	4.0
143.08586	15.7
143.10732	8.5
145.10152	44.3
147.08060	4.5
147.11707	37.5
149.09671	7.1
149.13268	29.8
151.11292	2.8
153.12793	7.5
155.08627	8.1
155.10703	4.7
156.09366	3.9
157.10139	25.0
158.10814	2.6
159.11720	38.1
161.09602	6.1
161.13286	26.6
163.11192	10.6
163.14905	9.0
165.12799	4.1
169.10213	6.0
169.49396	2.2
171.11670	15.2
172.12439	2.7
173.09712	3.4
173.13292	24.0
175.11281	6.3
175.14807	17.5
177.12897	2.9
177.16368	15.9
181.12303	3.4
183.11801	7.5
185.13295	16.3
187.11313	4.3
187.14822	21.6
189.12778	4.1
189.16383	18.3
191.14320	4.8
191.17976	16.2
193.15956	3.1
195.11847	3.3
195.17540	5.7
197.13362	6.7
199.14827	15.6
200.20079	2.6
201.16420	14.2
203.14442	8.5
203.18062	6.8
205.16002	2.6
209.13454	3.1
211.14912	8.9
213.16402	16.1
215.17926	10.8
217.16042	4.0
217.19586	6.4
225.16527	9.9
227.17889	15.2
229.15921	4.2
229.19469	14.1
231.17590	5.3
231.21153	4.9
235.17088	2.4
239.18042	2.9
241.19580	6.2
243.17354	11.8
243.21399	2.8
245.19104	9.5
253.19560	5.5
255.21201	4.8
257.22665	36.7
261.18646	4.8
267.21228	3.2
271.20807	4.4
273.22214	2.2
279.21240	3.1
281.22931	6.7
283.24228	5.2
284.26691	4.4
285.22247	4.4
295.24268	2.9
297.22372	3.0
297.25687	3.6
299.23889	6.0
311.23853	3.8
313.25293	2.8
316.12509	2.2
323.27829	2.4
335.27472	4.0
338.78766	2.5
339.26990	2.8
341.28564	5.4
353.28711	8.8
381.31534	26.7
421.34732	24.9
439.35785	83.5
457.36877	86.0
457.44540	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3682
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
50.84443	4.8
53.03925	5.8
55.05524	24.9
57.07085	8.5
65.03941	4.9
67.05514	37.9
69.03432	6.0
69.07080	33.8
69.20152	37.9
71.05014	10.0
79.05505	35.4
81.07063	100.0
83.08627	8.9
91.05496	37.5
93.07055	81.5
95.05000	5.7
95.08617	93.7
97.06531	7.0
97.10193	7.6
99.08095	21.5
105.07030	44.7
107.08601	87.2
109.06535	13.0
109.10163	75.9
111.08090	8.2
113.54998	5.0
117.07014	8.2
119.08588	49.0
121.10157	57.5
123.08104	5.0
123.11753	26.3
125.09647	17.8
127.07572	10.8
127.11232	10.4
129.07045	10.2
131.08583	24.3
133.10162	37.5
135.08105	7.4
135.11719	47.4
137.09630	7.2
137.13277	14.1
139.11223	6.7
142.07797	7.1
143.08566	15.6
145.10143	39.3
147.11673	40.9
149.13261	22.9
151.11169	6.8
157.10158	18.2
159.11687	35.4
161.09569	5.1
161.13290	24.1
163.11177	8.7
163.14854	8.3
165.12828	7.0
169.10043	6.9
171.11678	13.3
173.13254	25.8
175.11183	8.3
175.14903	15.4
177.16441	16.0
185.13297	7.4
187.14856	17.7
189.12714	6.7
189.16444	10.3
191.14302	8.6
197.13391	7.9
199.14842	7.5
201.16434	12.1
203.14297	6.5
203.17917	5.7
205.15892	5.8
213.16426	10.6
215.17896	7.7
227.17827	5.8
229.19554	10.0
243.17451	13.5
269.22717	6.5
271.20676	5.6
284.26889	6.9
403.33115	5.4
408.97250	5.3
421.34738	35.8
439.35876	62.4
457.35825	73.0
457.44382	35.1
459.92218	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
55.05505	13.8
57.07075	8.2
65.03934	3.8
67.05512	23.8
69.03428	4.8
69.07073	22.7
69.69221	5.7
69.69514	20.9
71.04983	11.8
76.36440	3.1
79.05489	16.5
81.07064	46.8
83.04980	3.3
83.08582	4.4
85.06563	4.0
87.79560	2.9
88.07618	5.9
89.87137	3.3
91.05478	23.0
93.07054	48.3
95.08620	50.8
97.06513	6.7
97.10172	4.9
99.08068	5.3
99.21460	3.4
102.09122	4.1
105.07037	37.3
107.08597	56.0
109.06541	5.3
109.10172	58.6
111.08000	5.3
117.07044	3.6
119.08601	39.7
121.10159	37.4
123.08092	5.3
123.11705	19.2
125.09637	9.6
127.11179	18.5
131.08563	14.1
133.10159	31.4
135.11700	35.1
137.09668	4.6
137.13277	5.2
143.08571	6.7
145.10130	22.3
147.11696	19.2
149.13234	14.9
153.12764	8.6
157.10106	10.9
159.11723	21.2
161.13240	18.3
163.11159	5.4
163.14806	9.6
171.11713	8.6
173.13249	11.7
175.14851	18.2
177.16393	9.9
185.13307	5.6
187.14836	11.4
189.16391	8.4
191.01093	3.0
193.15826	4.7
199.14908	5.7
200.20053	7.1
201.16440	12.1
203.14427	4.0
203.17958	11.1
205.15994	3.4
213.16371	7.7
215.17961	8.9
227.18008	6.0
229.19560	6.2
283.26318	4.5
284.26694	8.3
421.34586	15.5
439.35739	23.6
457.35211	100.0
457.43729	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	457.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.7
53.03933	2.2
55.01850	0.6
65.03925	1.0
66.04710	1.8
67.05502	1.2
69.07081	3.3
77.03952	0.8
79.05508	4.6
81.03426	11.3
81.07068	2.0
88.02215	5.2
91.05486	2.7
93.06994	0.7
94.04212	3.2
95.04961	1.9
98.03641	0.8
105.07043	1.3
106.18555	0.6
107.04943	2.8
108.05734	1.0
108.07054	0.8
109.02895	0.9
109.06538	4.4
111.04476	1.1
114.19380	0.6
115.05439	3.1
117.07111	0.8
119.04968	0.8
121.06499	2.1
122.03641	5.7
123.35075	0.6
126.03178	0.7
128.06221	3.5
129.07018	9.0
131.04945	1.5
134.45772	0.7
135.04419	1.8
136.05182	3.9
137.05997	36.2
139.07556	2.6
140.51317	0.6
143.04932	3.7
145.06487	2.1
146.07274	1.1
147.08133	0.7
149.05995	1.1
151.03923	15.2
151.05000	1.1
151.07561	28.8
155.07101	4.3
157.06503	10.3
158.07260	1.6
159.04408	0.7
159.08054	0.9
160.05212	2.3
161.05983	1.9
161.09653	2.5
165.05490	100.0
167.07037	1.9
171.04405	3.4
172.08760	1.4
173.05966	3.5
174.06799	4.0
175.07533	3.7
177.09164	2.3
179.07022	3.4
187.07550	1.7
188.04703	1.3
188.08313	1.6
189.09116	13.9
190.06262	2.2
191.07040	1.7
191.10742	1.4
201.09113	1.0
202.06323	0.9
203.07065	9.8
203.10651	5.2
205.08606	11.4
205.53392	0.7
217.08620	47.4
219.08260	1.3
219.10164	5.0
221.08153	1.4
229.08624	2.3
230.36499	0.7
233.08147	2.5
235.07527	1.2
235.09647	6.1
247.07457	0.7
247.09674	9.5
249.09203	1.3
250.09860	0.8
257.08029	1.1
261.09174	1.4
269.08057	0.7
273.73721	0.6
277.08557	1.3
278.09354	0.8
279.10065	0.8
285.07593	1.1
291.10349	1.2
293.11700	2.1
294.12439	0.9
298.12131	1.1
299.09253	1.4
300.09912	4.1
306.08969	0.7
307.09695	1.6
309.11368	1.7
309.55115	0.7
310.11948	1.8
311.08890	0.7
321.11346	5.0
322.12146	2.1
323.12683	0.9
325.14453	3.1
326.11649	1.8
335.12830	3.9
338.11481	1.2
341.13907	10.0
353.13849	10.1
359.14993	1.7
371.14886	13.9
389.16006	2.2
412.22998	1.2
439.21338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23252	0.7
53.03931	2.5
55.01868	1.0
65.03944	1.3
66.04713	1.7
69.03419	0.9
69.07074	3.7
69.53891	2.3
69.54302	2.8
70.25090	0.7
71.04996	0.9
79.05496	6.2
81.02986	1.1
81.03430	14.0
81.07056	2.8
83.04985	2.2
84.96018	1.2
91.05493	4.5
93.07043	1.3
94.04200	4.1
95.04946	1.6
95.08617	1.1
98.21482	1.1
103.05500	1.3
105.04552	1.3
105.07069	1.6
107.04953	2.4
107.08613	1.1
108.05743	1.2
109.02937	1.1
109.06522	4.1
109.10145	1.2
111.11583	0.7
115.05466	2.7
117.07013	1.2
121.06503	1.4
122.03664	5.3
124.05204	0.9
126.03189	0.9
128.06236	2.8
129.07022	9.1
131.04910	2.0
131.08604	0.9
132.05769	0.9
133.10118	0.9
135.04431	2.1
136.05217	3.9
137.05992	41.2
139.07539	3.9
141.05542	1.0
143.04919	2.2
145.06476	2.9
146.07350	1.6
147.08076	1.5
149.02327	1.4
149.06004	0.8
151.03934	18.5
151.05026	2.1
151.07555	35.9
154.02667	1.0
155.05013	0.8
155.07057	3.3
157.06522	11.1
158.07280	1.9
159.30415	0.7
160.05196	1.4
161.05995	2.5
161.09662	4.1
163.07585	0.9
165.05490	100.0
166.05717	0.8
167.07060	2.1
167.62560	0.9
171.04420	4.6
172.08842	1.9
173.05995	3.4
174.06805	4.6
175.07584	4.0
177.09108	2.3
179.07034	5.0
186.06786	0.8
187.07533	2.2
188.04726	1.1
188.08337	2.1
189.09137	16.8
190.06264	2.8
191.07076	1.9
191.10709	1.5
201.09108	0.8
203.07047	13.4
203.10655	4.2
204.07866	1.0
205.08643	14.4
215.07098	1.0
217.08623	53.0
219.10201	7.8
221.08163	2.0
229.08632	2.8
233.07968	4.1
235.09648	5.7
247.09673	11.5
249.09116	1.5
257.08109	1.8
261.09149	1.4
277.08630	1.8
278.09357	1.0
279.10104	1.2
281.11783	0.9
283.09607	0.9
289.08591	1.2
291.10156	1.5
293.11673	2.4
294.12372	1.4
295.09714	0.8
299.09106	1.5
300.10010	6.3
304.11087	1.0
307.09760	1.2
309.11182	2.0
310.11975	1.9
311.12659	1.2
319.09500	0.9
321.11243	4.7
322.12006	1.8
323.12903	1.3
325.14395	2.3
326.11478	2.0
335.12872	5.0
341.13861	12.8
353.13873	13.0
359.14948	2.6
371.14966	14.8
389.15857	2.2
439.21222	3.0
457.36713	2.8
483.99445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01866	3.3
55.05516	2.8
57.03420	2.3
57.07074	1.6
58.11263	1.3
65.03922	1.5
67.05505	4.2
69.03433	14.0
69.07068	6.6
70.23399	4.5
71.04982	4.9
73.02888	1.4
79.05497	4.3
81.03439	7.8
81.07060	9.2
83.04991	13.0
83.08598	2.7
85.02908	13.1
87.00857	6.7
91.05492	5.2
93.07063	7.7
95.04961	4.2
95.08617	21.3
97.02897	4.0
97.06538	3.2
99.04478	2.7
99.08093	4.6
105.01880	3.3
105.07035	10.8
107.04977	2.0
107.08609	29.8
107.18490	1.2
109.02914	6.7
109.06538	16.6
109.10166	18.3
111.08092	2.9
117.06996	1.8
118.60739	1.2
119.08581	5.9
121.06526	3.0
121.10159	36.2
121.11031	2.2
122.07310	1.7
123.08070	4.8
123.11711	3.5
123.31166	1.2
125.09628	11.8
127.03941	9.3
131.08600	9.3
133.09138	1.7
133.10141	27.7
135.08060	17.7
135.11684	6.3
137.09625	13.3
139.11171	5.0
143.08560	1.9
145.04991	3.8
145.10147	4.3
147.11708	10.4
149.09633	11.7
149.13280	19.8
151.11203	79.4
153.09123	4.2
158.10960	2.9
159.02856	3.0
163.11122	1.8
163.14842	15.6
165.12817	7.8
171.11673	1.5
171.66855	1.3
173.13283	24.0
175.14967	1.4
191.14325	100.0
209.15388	97.5
210.15646	2.3
457.15204	1.9
457.21896	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01859	3.2
55.05499	4.0
57.03427	1.5
57.07071	2.0
57.51885	1.1
58.06603	1.5
61.02897	1.4
67.05509	6.7
69.03434	56.1
69.07069	6.3
69.74660	6.3
69.95641	1.1
70.06576	2.0
71.04991	3.3
72.08146	4.1
79.05486	4.9
81.03412	7.6
81.07076	8.4
83.04985	5.0
85.02911	17.1
85.06573	2.4
86.09702	2.6
87.00811	6.5
87.04470	1.5
91.05481	8.3
92.05003	1.8
93.07062	8.6
95.08172	1.0
95.08624	12.0
97.02885	8.1
97.06532	4.2
98.20849	2.3
98.97600	3.2
99.04491	2.9
103.05449	1.5
103.27745	1.0
103.91918	1.1
105.01856	5.8
105.07021	4.3
107.04948	3.1
107.08589	15.1
109.02863	6.5
109.06508	6.8
109.10165	6.5
111.04344	1.1
111.08057	3.6
117.07034	3.6
119.04942	3.3
119.08601	7.1
120.04479	21.2
120.05304	2.1
121.04819	8.5
121.06487	3.5
121.10155	13.6
123.04404	2.0
123.08047	3.8
123.11682	7.3
125.09642	21.3
127.03936	10.2
129.07010	1.8
131.08585	9.4
132.08913	2.5
133.10139	6.5
135.08067	12.0
135.11729	5.5
135.12634	1.1
137.06013	2.3
137.09605	5.1
141.06969	1.8
143.08525	1.6
144.08095	10.3
145.04971	5.4
145.06006	1.0
145.08437	5.9
145.10144	3.9
147.04410	3.7
147.11673	3.7
149.09599	11.1
149.13257	4.3
151.03879	2.5
151.07626	1.9
151.11203	2.5
153.09085	9.0
158.10918	4.1
159.02881	2.7
159.08073	2.5
163.03944	1.7
163.07483	1.2
163.11194	4.9
163.14803	5.2
165.05386	1.4
165.09114	27.2
165.12744	3.6
173.13271	21.8
177.05450	1.4
186.09212	2.0
187.09520	2.9
188.07819	2.0
191.14313	96.3
192.14616	1.6
197.05865	1.2
203.10741	1.2
205.12234	1.8
209.15373	100.0
231.05138	2.0
258.14978	2.1
259.15189	4.2
277.16284	3.3
294.15891	3.6
295.16104	8.6
337.17325	3.5
355.06964	1.4
368.48694	1.1
371.13965	2.2
373.08206	4.2
389.14905	1.4
398.67618	1.3
439.21542	3.5
457.14716	12.6
457.23138	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
55.01868	5.4
55.05497	1.5
55.66262	1.1
57.03430	3.5
61.02932	4.0
67.05476	1.5
68.99792	2.4
69.03441	21.5
69.07059	3.0
70.23383	5.2
71.04993	5.3
73.02922	5.2
79.05518	6.6
81.03426	19.2
81.07070	7.5
83.04984	1.9
83.08615	1.5
85.02914	41.3
85.06535	3.4
87.00835	14.6
90.36024	1.3
91.03963	1.9
91.05486	6.4
93.07042	5.3
93.36608	1.1
95.04979	4.4
95.08619	5.5
97.02906	11.2
97.06544	4.0
99.04473	7.8
105.01883	9.9
105.07030	11.4
107.08621	10.6
109.02888	14.5
109.06528	82.1
109.10184	4.6
115.03965	1.8
117.01855	1.5
117.07014	1.7
119.08621	6.0
121.06542	2.2
121.10144	10.9
123.08080	6.9
123.11657	1.6
127.03927	28.7
129.01866	2.2
131.08594	12.8
133.10144	43.9
135.08069	22.9
135.11713	2.9
137.09642	14.6
143.08505	1.9
145.04955	11.2
145.10156	6.6
147.08093	1.1
147.11656	6.1
149.09668	8.3
149.13304	6.9
150.10443	2.8
151.07568	2.5
151.11194	16.1
157.81078	1.1
158.10916	2.5
159.02898	10.0
163.14886	2.0
165.12759	27.5
173.13283	30.4
176.12032	1.6
191.14322	67.5
193.15950	4.4
195.10194	2.7
209.15388	100.0
231.05037	7.6
358.08151	1.3
457.23917	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15089	0.4
66.18578	0.4
69.03413	0.7
69.07064	0.4
70.06608	2.3
71.04990	0.5
71.52017	0.7
72.08161	2.9
79.05000	0.4
79.05489	0.9
81.03416	0.8
81.07037	0.6
82.49525	0.4
84.04973	0.4
84.08138	1.8
85.02907	1.1
86.06033	0.4
86.09719	1.8
87.00842	0.5
91.05513	0.5
93.07036	0.5
97.06561	0.7
99.04482	0.4
105.07033	0.8
107.08611	0.8
109.02768	0.8
109.06550	1.1
109.10177	0.6
116.06295	0.4
116.07089	1.0
121.10091	0.5
127.03939	1.0
133.10146	0.8
136.07706	0.4
145.66393	0.4
149.09628	0.7
167.07104	0.6
169.04987	1.3
173.09659	0.5
173.13287	0.5
181.05009	0.5
191.14352	1.5
194.02193	0.6
197.04478	0.7
209.04485	1.0
209.11508	3.3
209.15361	0.6
229.11925	0.6
229.15591	0.8
233.08125	0.4
237.10927	2.4
253.10815	0.5
295.11761	8.7
325.07013	0.7
353.15848	1.4
371.16788	13.8
395.16794	0.4
413.17877	36.9
414.18338	1.0
421.35260	0.5
457.16876	100.0
458.17212	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	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.0
55.01874	5.0
55.05513	1.4
57.03428	2.9
61.02916	2.0
64.49919	0.6
65.48348	0.6
67.05510	2.1
68.31187	0.7
68.99794	2.0
69.03436	11.8
69.07070	1.9
69.22403	6.1
71.04990	2.9
72.08144	1.4
73.02930	4.1
75.35321	0.6
79.05500	4.4
81.03423	13.7
81.07055	5.3
83.04972	1.0
83.08646	1.1
84.08166	0.8
85.02917	32.3
87.00841	13.8
91.05474	3.9
91.95681	0.7
93.07043	3.5
95.04981	2.9
95.08607	2.8
97.02907	11.3
97.05888	0.8
97.06532	1.5
98.21493	0.9
99.04459	7.2
105.01881	9.4
105.07050	5.6
107.08598	3.9
109.02895	14.0
109.06529	100.0
109.10161	2.2
111.08072	0.9
115.03955	1.3
117.01871	2.1
117.07073	0.7
119.08618	2.1
121.06528	1.9
121.10153	2.0
123.08110	4.0
127.03931	24.4
129.01892	1.5
131.08575	5.2
133.06473	0.7
133.10156	7.1
135.08072	26.9
135.11694	1.7
135.14647	0.7
139.46828	0.7
145.04977	14.3
145.10178	1.0
145.27240	0.7
147.02834	1.5
147.08058	2.0
147.11678	0.8
149.09624	2.9
149.13295	1.1
150.10390	3.5
151.07564	3.2
153.09119	2.8
158.10928	1.4
159.02914	9.1
159.04149	1.1
160.53993	0.7
161.09677	1.0
165.09103	0.8
171.08109	0.6
173.13283	7.9
175.14880	1.1
176.12054	0.9
177.03978	0.7
183.02896	0.7
189.03937	0.9
191.14328	60.8
193.15935	3.5
194.08678	0.6
195.10182	5.2
201.52472	0.7
209.15369	11.3
213.03969	1.2
231.05060	5.3
240.34668	0.8
249.06252	0.9
261.11154	0.8
266.12204	1.0
339.10977	1.7
350.08176	0.7
437.34979	0.7
441.17960	0.7
457.25107	1.3
462.83237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1481
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
53.03947	2.1
55.01884	1.8
56.96559	3.5
58.06591	2.2
69.03417	2.6
69.07083	2.5
69.40909	11.7
70.06593	2.7
71.04979	3.1
72.08134	2.2
81.03419	4.4
81.07055	3.3
84.08133	2.9
84.96024	3.3
85.02890	4.3
86.09704	3.4
87.00822	2.0
91.05476	6.3
93.07034	5.3
95.04939	2.6
95.08645	2.9
97.02898	3.1
97.06558	2.5
98.97597	36.6
99.04494	3.0
105.07014	3.2
107.08586	4.3
109.02894	4.5
109.06506	8.4
112.99129	6.4
116.98630	8.1
119.04932	2.7
123.81850	1.9
127.03924	7.4
131.00157	6.6
131.08601	3.3
133.10175	2.8
135.08055	3.7
145.10059	2.5
147.04420	16.2
147.11679	2.5
149.09618	3.1
151.11253	2.4
158.99698	10.4
160.07565	3.6
163.03868	2.0
165.05609	2.0
173.01151	9.7
173.13289	3.6
177.00734	7.4
191.02272	4.6
191.14360	5.0
201.00757	4.1
209.15355	3.8
221.84341	1.9
232.12204	1.9
238.69490	1.8
251.09573	8.7
269.10608	8.9
293.10699	6.3
311.11697	7.6
313.52759	2.5
371.13760	7.4
413.15622	7.1
457.14734	100.0
457.24194	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	457.1476
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
52.81913	0.8
53.70886	0.8
55.01855	0.9
56.96544	2.8
58.06589	1.5
62.27166	0.8
63.34488	0.9
65.03930	2.3
66.50054	0.8
67.05494	1.8
69.03421	2.7
69.82037	2.7
69.82452	2.3
70.06584	2.2
71.04993	0.9
72.08152	1.1
79.05492	2.5
81.03387	1.5
81.07043	3.2
83.04983	1.3
84.08176	1.1
85.02893	2.9
86.09675	1.3
87.00814	0.9
91.05484	3.7
93.07035	3.4
95.04971	1.3
95.08599	3.2
97.02917	2.2
98.20806	1.1
98.97588	5.4
105.07044	5.0
107.08582	4.1
109.02882	1.0
109.06512	2.7
109.10173	3.0
109.96965	1.2
110.97595	2.2
111.04420	1.2
116.98608	1.5
117.07000	1.4
119.08566	2.3
121.02876	48.9
121.06509	1.7
121.10166	3.1
123.11700	1.3
127.03930	4.0
131.08588	3.6
133.10139	16.2
135.08125	2.3
135.11699	0.9
137.05952	1.4
137.09598	2.1
139.03868	1.0
139.11169	0.9
143.08543	1.6
144.08098	20.5
145.04881	0.9
145.10123	2.3
146.90001	0.9
147.04440	2.0
147.11696	1.9
149.09630	1.8
149.13290	1.7
151.11209	6.5
159.02953	1.1
163.14813	1.3
165.09116	4.4
167.07016	1.1
173.09424	1.1
173.13278	8.7
175.12318	2.4
177.05638	1.1
191.14305	14.3
205.04602	0.9
209.15384	6.9
219.01871	3.0
227.09567	1.8
237.02864	3.1
242.57381	0.8
245.10590	2.2
269.10605	2.2
281.10632	2.1
295.14496	2.8
311.11566	1.5
371.13812	6.8
371.25085	1.1
389.14847	13.4
412.15900	1.2
413.15433	8.7
431.15823	2.6
457.14676	100.0
458.15149	2.1
479.97049	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
54.67348	1.2
55.01869	2.7
55.05514	2.0
56.96592	1.8
64.45570	1.3
67.05499	2.8
69.03429	7.8
69.07070	2.4
70.06585	2.3
71.04980	1.5
71.53460	1.6
72.08154	3.3
79.05490	4.1
81.03416	6.9
81.07046	6.3
83.04975	1.9
84.08138	2.9
84.96035	1.7
85.02910	11.8
85.06549	2.2
86.09697	4.7
87.00833	3.6
91.05474	6.0
93.07051	6.5
95.04981	3.4
95.08606	2.3
97.02895	4.6
97.06514	2.6
98.97585	11.6
99.04497	2.8
105.01926	1.6
105.07023	9.1
107.08590	3.5
109.02888	4.6
109.06519	17.3
109.10163	2.9
116.98637	3.3
117.07027	1.6
119.04903	1.6
119.08586	4.0
121.06509	3.0
121.10150	5.7
123.08048	2.2
127.03914	9.1
128.98616	1.6
129.06990	1.6
131.08533	8.0
133.10144	23.2
135.08090	6.1
137.05972	2.5
137.09618	5.2
139.03885	2.2
145.04945	3.2
145.10152	3.5
146.08124	1.6
147.04425	5.1
147.08080	1.6
147.11668	1.5
149.09636	4.9
149.13307	2.5
150.10143	1.5
151.03925	1.9
151.11166	9.5
158.10970	1.6
158.99661	3.1
159.02869	2.2
161.09647	1.3
163.03946	3.3
165.09070	2.0
165.12794	5.0
167.07071	1.6
173.09615	1.8
173.13283	15.1
177.00632	1.5
191.14313	19.0
209.15356	22.3
219.01756	1.5
221.09787	1.6
222.35492	1.3
237.02779	2.2
237.09193	1.9
249.79900	1.5
269.10779	2.5
303.01083	3.6
311.83377	1.5
371.13626	8.9
373.08228	2.4
389.14905	4.5
413.15302	10.6
439.21982	2.5
457.14734	100.0
457.24567	4.4
458.14862	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91348	2.0
55.01866	7.4
58.06590	4.7
60.08167	3.4
61.02929	10.2
62.15616	1.8
62.23027	2.0
67.05508	2.4
69.03426	4.2
69.07073	2.6
69.93954	4.9
69.94347	9.3
70.06592	9.5
72.08160	5.4
73.02931	4.1
73.90676	2.0
79.05505	2.2
81.03418	8.3
81.04546	4.3
81.07065	8.2
83.04981	2.1
84.08153	4.7
85.02909	13.3
86.09708	3.8
91.05485	6.4
93.07045	3.7
95.04968	2.9
95.08624	2.9
97.02890	6.8
99.04408	2.4
103.03961	7.3
105.03403	7.0
105.07027	5.3
106.14328	2.4
107.04964	3.1
109.02896	9.1
117.07072	2.1
119.04967	3.9
121.02834	3.2
123.04439	4.0
123.11741	3.2
127.03905	5.3
127.05072	7.9
127.97293	2.2
129.07039	2.7
133.06496	2.5
135.04442	4.0
137.05969	3.0
145.06557	4.1
146.06009	2.3
147.04420	7.8
147.08035	2.7
149.05975	2.7
149.09654	5.5
151.03928	5.0
160.07590	13.6
161.06010	6.5
163.03947	9.3
165.05595	3.1
165.45215	2.2
167.07071	4.5
171.04440	4.8
173.05920	4.8
175.03926	6.0
175.07588	6.4
177.05547	6.3
185.06030	8.6
186.09189	9.6
187.03886	6.0
189.05504	11.9
191.07086	2.4
191.10344	2.3
193.04967	6.5
199.03943	6.9
199.07576	3.3
201.05447	14.6
203.07085	4.2
205.05040	8.9
207.06534	6.6
209.04501	2.7
209.08194	2.9
209.11639	2.7
213.05531	9.4
217.05026	15.0
219.06592	6.6
223.06012	5.7
225.05569	3.4
227.07123	5.9
229.04936	16.2
230.05672	2.4
231.06499	15.9
233.08025	2.4
235.06036	15.0
239.07161	2.9
241.05089	6.3
241.14787	2.3
243.06606	9.7
245.04561	2.9
245.08179	7.3
247.06010	46.6
253.05000	3.4
255.06549	7.1
259.06033	36.6
261.07654	3.1
265.07147	2.5
267.06531	4.3
269.08188	2.8
271.06085	12.4
273.04874	2.8
273.07626	18.9
277.04062	2.8
277.07083	51.5
283.06158	7.6
285.07742	7.7
289.07147	13.3
295.08340	14.9
297.07745	4.1
301.07056	37.8
303.08792	3.7
307.08148	92.6
313.07050	19.3
315.08569	4.7
319.08118	11.1
325.07068	12.1
331.08224	10.4
337.09216	43.0
343.08093	23.1
355.08243	6.2
361.09177	50.5
361.13226	3.6
367.08286	2.2
371.16867	8.2
373.09180	36.4
385.09180	36.7
391.10217	13.7
398.16107	5.7
403.10291	23.9
413.17755	31.7
414.88712	2.3
421.11298	26.5
439.12390	9.2
457.16879	100.0
457.23639	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	457.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
55.01883	9.4
56.79942	0.8
57.03429	4.0
61.02913	2.5
65.03920	1.1
67.01865	1.8
67.72046	0.8
69.03415	3.4
70.06580	3.6
70.85896	1.4
70.86242	1.9
71.01343	1.4
73.02923	2.4
77.03959	0.8
81.03426	5.4
82.06599	7.9
82.41195	0.8
83.04330	0.7
83.06910	2.0
84.08147	1.6
85.02436	1.3
85.02918	20.9
86.09682	0.9
86.55886	0.8
93.03392	1.7
95.01289	2.2
95.04953	1.3
97.02895	6.9
100.07602	2.4
103.03938	5.0
103.05502	1.2
103.44281	0.9
105.03391	1.6
105.07046	1.4
107.04967	2.2
109.02879	9.0
115.05435	1.7
117.07004	1.5
119.04954	2.2
121.02889	11.7
121.06532	1.2
123.04428	3.6
125.06067	2.0
127.03882	2.3
128.07092	31.9
129.07463	13.9
131.04926	2.5
133.02789	0.9
133.06491	1.8
135.04405	2.7
137.02338	1.3
137.06009	2.0
139.03905	2.6
140.25604	0.8
141.07005	1.9
143.08490	1.6
145.02811	1.1
145.06503	4.2
147.04449	5.8
149.02347	2.6
149.05978	3.3
151.03929	4.5
153.07014	1.9
155.08517	1.2
157.06509	3.4
159.04445	5.0
159.08009	1.2
160.07585	2.0
161.06042	4.4
161.10719	2.0
163.03909	7.9
165.05487	3.0
165.06953	1.1
167.03397	2.0
167.07091	0.8
167.08540	1.4
169.05069	1.3
169.06526	3.1
171.04391	4.8
171.08032	2.3
173.02356	1.8
173.05969	6.4
175.03923	14.7
175.07547	3.5
177.01927	1.8
177.05467	12.9
181.05016	14.5
181.06450	2.2
183.08105	1.8
185.05992	9.4
187.03905	11.6
187.07568	2.9
189.05457	9.8
191.03391	2.6
191.06995	4.6
193.04990	28.9
193.06720	1.4
197.05960	5.3
199.03871	4.5
199.07579	3.7
200.04602	1.1
201.01852	3.1
201.05498	23.7
202.06227	1.4
203.03450	2.7
203.07050	12.9
205.04990	28.5
206.05646	1.0
207.06548	2.3
209.06030	2.2
211.03845	2.8
211.07509	2.4
213.05534	12.3
215.03470	1.8
215.07045	5.1
217.05000	23.3
217.08586	3.8
219.02997	11.5
219.06534	27.7
221.04295	4.1
223.05881	1.4
225.05457	9.1
227.03543	1.5
227.07098	10.4
229.04982	16.2
229.08521	1.7
230.05449	1.2
231.03056	1.4
231.06548	23.8
233.04492	4.1
233.08115	1.9
235.05931	10.0
235.07687	1.0
237.05455	4.0
239.03407	1.9
239.07103	5.0
241.04991	10.6
242.05699	1.8
243.06555	21.2
245.04393	3.5
245.08163	14.7
247.06047	100.0
251.07059	3.2
253.04973	9.1
255.06561	13.0
257.04520	4.4
257.08017	4.5
259.06061	72.4
260.06467	1.6
261.03967	1.4
261.07654	3.9
265.04868	3.6
267.06525	9.2
268.07257	1.1
269.04584	1.3
269.08096	5.4
271.06030	34.2
273.04349	1.5
273.07614	31.6
275.05521	2.2
277.07104	16.7
279.06488	9.6
281.04590	1.5
281.08066	2.7
283.06024	21.6
284.06906	0.9
285.04395	1.8
285.07593	19.9
287.05460	4.8
287.08987	2.4
289.07117	37.8
291.06400	1.4
293.08075	2.0
295.05667	7.5
295.08838	1.6
295.16687	2.0
296.06842	1.3
297.07611	19.6
299.05493	5.1
299.09134	3.3
301.07095	83.6
302.07678	1.0
305.06473	1.9
307.08405	21.6
309.07532	4.5
311.09171	2.5
313.07013	82.5
314.07321	1.3
315.08603	7.5
319.08344	7.9
321.07858	1.5
323.07822	1.3
325.06580	21.6
325.09195	65.2
327.08517	1.9
331.08093	11.0
332.13583	1.5
333.13751	2.9
337.07016	4.7
337.09995	1.4
339.08594	3.0
343.08157	58.7
344.08823	1.1
349.06854	2.1
354.22534	1.1
355.08182	25.8
357.09262	1.3
361.09219	52.5
362.09683	1.1
367.08121	10.9
373.09204	26.2
375.10907	1.0
379.10284	69.6
385.09235	17.0
391.10287	41.7
403.10278	24.8
409.11295	9.9
421.11334	38.4
424.35046	1.0
439.12393	36.8
457.13287	21.9
457.19446	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	457.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01870	7.1
57.03438	2.3
57.26409	1.4
61.02932	11.3
69.03432	3.3
70.06590	2.5
71.05901	3.7
73.02927	1.7
78.30997	1.5
80.19193	1.4
81.03405	4.3
84.08159	3.7
85.02918	7.3
86.09742	2.1
91.42226	1.4
97.02878	4.6
103.03937	3.2
109.02913	3.5
115.05451	2.1
119.05040	1.8
121.02855	3.7
128.07069	2.2
129.06938	3.7
133.06497	3.1
137.05997	2.1
145.02925	2.0
145.06505	4.0
147.04430	3.0
147.08092	2.0
151.03893	2.4
157.06514	3.7
161.05962	8.1
161.34807	1.7
163.03920	3.5
165.06958	1.7
169.06418	1.7
171.04460	4.6
172.08774	2.5
173.02367	2.1
173.05971	3.6
175.03943	4.0
175.07614	1.9
177.05479	3.9
181.05043	4.1
185.06010	8.1
187.03934	5.8
189.05507	13.8
191.07019	3.3
193.05019	3.3
197.06001	2.0
199.03900	4.9
199.07587	1.7
201.05435	12.9
203.07039	10.3
205.05017	7.0
207.06577	3.8
209.06129	2.4
211.07443	1.8
213.05492	12.4
215.03459	3.1
215.07027	3.3
217.04980	15.6
217.08591	1.9
219.06589	7.2
223.06096	7.2
225.05537	7.4
227.07068	6.4
229.04979	20.4
230.05801	3.1
231.06569	20.5
235.06091	11.6
241.05026	4.0
243.06586	9.1
243.08830	4.6
245.04373	3.8
245.08128	6.2
247.06049	48.4
251.07074	2.7
253.05009	2.9
255.06519	10.6
257.04391	2.5
259.03409	3.0
259.06046	44.7
261.07733	2.7
265.04767	2.3
265.07257	2.7
267.06546	3.7
269.08200	2.6
271.06082	10.2
273.07574	18.8
277.07108	53.2
279.06625	2.4
283.06143	6.4
285.07608	5.5
289.07095	17.4
294.13574	2.1
295.05356	2.0
295.08411	16.9
295.13577	6.1
296.06735	2.6
297.07568	8.6
301.07086	39.1
303.08707	2.3
307.08179	100.0
313.07111	20.7
315.08508	2.3
319.08063	12.1
325.06857	13.4
331.08261	8.2
337.09250	52.2
343.08093	19.0
355.08099	4.4
359.13437	2.7
361.09225	60.8
373.09232	46.4
374.09946	2.0
382.97177	1.9
385.09186	46.8
391.10291	13.3
393.11819	1.8
403.10297	25.4
421.11362	34.5
439.11694	13.2
457.11652	4.5
457.18103	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	456.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01887	1.0
55.05505	3.1
57.07057	0.8
58.06594	1.3
58.73874	0.7
67.05506	6.0
67.51553	0.7
69.07063	1.2
70.06583	1.8
71.04963	0.8
72.08160	8.8
78.12366	0.7
79.05481	2.6
81.03414	2.1
81.07043	1.2
83.04990	1.2
84.08147	1.0
86.63466	0.8
91.05486	3.6
93.07059	1.8
95.04959	2.4
95.08589	1.0
103.05498	0.8
105.07034	2.2
105.66525	0.8
107.08600	0.8
107.80482	0.8
115.05462	1.2
117.07011	1.6
119.04932	2.0
121.06538	0.7
129.07011	1.0
131.04933	1.3
131.08615	1.0
133.06474	1.4
137.05969	2.7
143.04929	2.1
143.08493	1.1
145.06438	0.9
147.07980	0.9
151.07561	5.4
158.07306	1.1
160.05179	1.0
161.06021	1.1
165.07039	1.3
165.09109	1.2
166.07797	1.3
167.08603	2.8
171.08028	0.9
175.07573	5.6
179.08557	3.8
181.10141	1.2
187.07600	1.7
188.08333	1.1
189.09117	3.6
191.07019	2.4
192.07816	2.1
193.06581	0.8
193.08286	0.9
194.07275	1.9
195.08086	14.3
201.09161	4.8
203.08644	1.0
203.10611	1.0
204.09439	0.9
207.08127	3.9
209.09619	2.4
211.07555	1.4
212.08278	1.5
213.09183	1.7
215.10634	0.9
217.10295	1.1
221.09685	2.8
223.07675	0.8
223.11273	1.3
224.08356	2.3
225.09148	2.8
226.09923	2.9
227.10674	5.1
227.91399	0.9
229.10210	1.0
233.09637	1.1
233.13303	1.2
235.11186	1.3
237.09157	2.0
238.09947	1.9
239.10727	5.5
241.12202	1.0
243.11948	1.0
245.09755	1.7
247.11212	2.7
251.10764	3.0
252.11487	0.9
253.08649	1.4
253.12343	2.4
255.10272	1.0
255.13831	2.3
261.09268	0.8
261.12762	4.6
263.10919	1.4
263.14230	1.6
264.11542	1.6
265.12076	1.0
271.11197	1.7
273.12683	2.3
277.12231	1.2
278.13004	1.3
279.13864	2.0
285.11383	2.4
289.12259	3.6
290.13165	0.9
291.13940	1.2
293.15341	4.6
295.17081	1.7
297.11279	2.0
301.10526	1.3
303.13831	1.1
305.15421	1.4
321.14877	5.5
323.13165	1.0
323.16409	4.2
331.13327	0.9
339.15979	4.4
349.14478	4.7
367.15463	11.3
418.82779	0.8
420.21597	2.6
438.22806	100.0
439.23154	2.0
456.23676	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2385
Annotation	Mycotrienol I
Peak:m/z	Relative Intensity
50.38614	0.6
51.87088	0.6
53.03948	0.8
55.01899	0.7
55.05524	3.9
67.05506	3.0
69.86142	2.3
70.06588	1.4
72.08162	30.7
72.68536	0.5
74.22560	0.6
79.05499	1.8
81.03416	1.1
81.07054	1.8
83.05013	0.7
91.05473	1.3
93.90118	0.9
95.04977	1.3
95.08632	1.0
95.70849	0.6
98.06110	0.7
99.04469	0.7
101.62378	0.6
105.07029	2.4
107.08640	1.1
114.09156	1.0
117.07075	0.8
121.06559	0.6
124.03957	0.9
125.06065	1.0
129.07001	0.9
131.08604	0.7
137.05992	2.5
143.04945	0.8
143.08569	0.9
144.05685	0.8
145.02765	0.6
152.06241	0.9
155.08542	1.2
157.06479	0.9
165.07027	2.5
167.04933	3.6
167.08524	0.8
171.08128	0.8
175.07629	1.2
177.05501	1.4
178.07820	2.5
179.08562	4.2
181.06537	2.8
181.10178	0.7
182.07253	0.7
187.07492	3.3
191.08644	1.7
192.09311	0.9
193.06480	3.3
193.10139	4.4
194.07298	1.3
195.08043	2.1
196.05254	0.8
196.08720	0.8
199.07504	3.4
200.08327	1.6
201.09181	1.3
203.08600	1.0
203.10564	1.7
204.09415	1.8
205.06439	0.7
205.10187	2.7
206.10934	1.7
207.08086	3.6
207.11729	2.1
208.08914	0.9
209.06039	3.2
209.09624	2.7
211.07562	3.5
212.08328	1.5
213.09131	2.4
215.08702	1.0
215.10640	0.8
215.59792	0.7
217.10216	1.8
218.07326	1.3
219.06277	0.7
219.08110	3.9
219.11772	3.9
220.08890	2.1
221.09613	10.0
222.10413	0.7
223.07600	1.8
223.11256	1.3
224.08337	7.0
225.09137	5.1
226.09964	1.2
227.07040	1.2
227.10513	3.2
231.08099	1.6
232.08878	2.3
233.09685	3.3
233.13286	2.4
234.10466	1.9
235.11182	5.3
235.14793	1.2
236.08430	0.9
237.09097	2.9
238.09920	3.2
239.10677	7.3
240.07813	0.9
240.11554	0.9
241.08632	1.9
241.12279	2.1
243.11966	0.9
245.09621	3.2
245.13428	1.3
246.10419	0.9
247.11214	8.0
248.11832	0.7
249.09090	1.5
249.12772	2.9
250.09924	1.5
251.07056	0.6
251.10719	5.2
252.11519	1.4
253.08687	2.2
253.12196	8.0
254.09402	1.0
255.10233	1.7
255.13794	1.0
259.11035	0.7
261.09061	1.4
261.12823	4.6
262.13647	0.7
263.10742	1.8
263.14355	4.0
264.11487	5.4
265.08871	1.1
265.12219	3.8
266.13031	0.9
267.10175	2.3
267.13657	0.7
269.11740	1.7
273.12869	1.9
275.10687	1.2
276.11481	0.6
277.12265	2.9
278.13266	1.4
279.13831	8.8
281.11795	1.8
281.15247	1.4
283.09686	1.5
289.12195	2.1
290.13022	1.0
291.13864	1.5
292.10986	0.8
293.12033	1.4
293.15442	5.2
294.12744	0.8
295.13306	2.4
295.16858	1.5
297.11316	1.0
299.12854	1.2
303.13901	1.2
305.15326	2.2
306.12711	0.8
307.13187	1.4
321.14908	8.9
323.12833	2.2
323.16455	2.9
325.10815	1.0
325.14331	14.6
339.16083	5.4
349.14426	4.3
358.19022	0.6
367.15430	30.7
420.21881	1.3
438.22797	100.0
439.23117	2.3
456.23743	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	41.8
67.05508	56.6
69.03410	17.6
69.07079	28.5
70.06599	56.8
71.05006	18.0
71.52566	31.9
72.08159	58.6
74.73932	14.9
77.19407	15.4
78.71055	15.8
79.05499	48.2
81.03429	28.5
81.07058	28.6
83.08650	40.4
84.08140	37.2
85.02929	49.0
91.05463	35.4
93.07073	37.2
95.04986	51.4
95.08629	25.7
97.02882	27.1
97.06530	46.5
105.07027	53.5
107.08615	62.1
109.10157	41.0
110.10513	20.1
119.08591	25.9
120.08180	19.8
121.06506	20.2
121.10182	31.9
123.08085	22.2
127.03995	25.8
130.99280	17.1
131.08627	25.5
135.08180	17.6
137.05994	30.8
137.09682	20.7
139.98067	18.0
145.10222	22.3
146.06007	80.7
146.10472	21.5
154.08655	24.8
157.10115	34.6
159.08058	26.9
160.11208	17.8
165.09206	19.4
174.05510	59.8
175.11150	21.7
191.07031	19.7
193.04971	100.0
201.09200	22.3
219.12642	21.1
235.13390	29.2
236.13625	26.8
247.11824	23.1
250.15228	18.2
262.15271	38.6
270.35437	15.6
300.08957	35.8
394.27560	50.9
404.22900	16.6
438.18594	22.9
453.36218	16.5
456.27213	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31054	1.5
53.03949	4.6
55.01873	7.0
55.05513	4.0
58.06592	5.2
67.05511	4.8
70.06597	9.5
70.12526	5.6
71.05006	2.8
71.07388	2.1
72.08163	20.2
74.27654	1.9
76.92951	1.7
79.05502	5.6
81.03405	4.8
81.07068	4.2
82.06599	1.8
83.04995	2.0
84.08145	4.3
85.02917	4.8
90.54982	1.6
91.04973	3.2
91.05495	39.6
93.03399	5.3
93.07052	10.5
94.06535	2.8
94.76755	1.7
95.04982	5.1
95.08628	3.4
97.02895	2.7
97.06550	1.9
98.06074	2.9
103.05530	1.9
105.07034	5.7
106.02929	3.7
106.06552	1.7
107.04959	9.8
107.08604	2.7
107.27754	1.6
109.02882	2.6
109.06536	2.4
115.05489	2.8
116.06297	2.3
117.07029	9.5
119.04946	9.9
119.08589	4.7
120.08134	4.1
121.08985	2.9
124.03958	12.4
128.70053	1.8
129.07019	5.8
129.10242	2.9
131.04962	4.1
131.08585	32.7
133.06497	3.5
133.10201	3.7
134.09700	2.3
135.11670	2.9
136.07623	2.8
137.05975	6.8
139.09909	4.8
141.06985	13.3
144.05739	4.7
145.06497	7.0
147.04385	3.1
149.09647	3.1
153.12746	9.5
159.08069	36.3
160.07640	3.3
161.09653	2.7
162.09198	2.3
163.03920	16.8
169.06494	5.5
169.07727	2.5
186.09148	2.5
187.07564	25.9
205.08673	1.9
230.15375	5.2
240.23686	1.8
258.14932	46.4
268.08194	4.0
276.15973	100.0
286.09311	4.1
294.07507	1.7
294.17068	19.2
434.14111	1.9
438.21011	2.8
456.18558	20.0
457.15286	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	454.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.3
55.46792	1.2
57.07084	33.0
66.86488	1.5
67.05499	1.3
69.07094	1.8
69.48997	8.9
71.08642	26.0
73.06561	6.4
73.67979	1.3
79.05453	1.3
81.07049	1.4
83.04963	1.4
83.08610	2.8
85.10194	22.6
87.04454	1.9
89.06043	100.0
93.07072	1.2
93.82700	1.2
95.08593	1.7
97.10153	3.1
98.20717	2.3
99.11739	3.1
117.09134	2.0
130.08633	4.2
133.08620	44.3
155.17984	5.6
177.11267	19.9
195.12331	3.0
199.20605	5.1
221.13878	3.6
239.14914	4.0
240.23065	1.3
243.23253	11.8
283.17551	20.2
287.25870	4.9
305.40942	1.5
393.32156	2.4
437.34811	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	455.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53250	3.4
72.47018	0.6
84.08186	0.8
87.60024	0.5
89.39218	0.6
112.45866	0.6
112.89618	40.1
198.10957	0.6
301.03555	0.7
326.04852	0.8
340.00980	0.9
381.08102	0.6
453.72696	0.6
455.11673	100.0
456.11942	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39154	0.2
55.05519	1.1
57.07071	0.6
58.02965	0.3
66.36002	0.2
67.04232	0.6
67.05500	0.8
68.54568	0.2
69.07079	1.3
69.73521	0.7
69.73938	0.5
72.08142	0.4
79.05488	0.5
81.07064	1.5
83.08604	0.8
89.63389	0.2
91.05476	0.3
93.07032	0.4
95.08591	0.9
105.07053	1.2
107.08601	0.4
109.10175	0.4
115.04725	0.2
115.05470	3.6
117.05762	2.2
120.08112	0.5
121.10126	0.5
130.06494	0.3
131.04889	0.3
132.08096	5.1
133.05330	0.3
133.06488	1.1
134.05972	0.6
142.06525	0.7
143.07323	0.6
146.06059	1.1
148.07588	8.6
159.06804	0.6
160.07590	100.0
161.07924	0.6
172.07697	0.3
174.05586	0.4
191.11810	11.9
233.33864	0.3
251.66708	0.2
288.00690	0.2
296.29462	0.7
322.31192	0.7
339.22046	0.3
412.32208	2.9
424.32077	2.0
455.36365	14.7
466.06641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.8
55.01873	8.8
57.03445	10.6
57.07077	6.3
59.05007	2.1
60.19804	1.8
61.02932	6.6
62.41920	1.7
65.53620	1.7
67.05513	4.3
68.99800	6.1
69.03439	44.0
69.07078	2.9
70.06599	4.9
71.04998	7.2
71.12582	4.1
72.08164	2.6
73.02940	8.2
81.03425	38.1
81.07069	5.5
83.61686	1.6
84.35176	1.5
84.35840	1.6
85.02917	96.8
85.06541	5.6
85.10194	11.6
86.09710	2.5
87.00845	38.8
91.03938	3.0
91.05504	2.9
93.07058	1.7
95.08620	43.2
97.02905	36.0
97.06538	7.0
99.04485	15.8
99.08109	4.0
105.01887	48.3
109.02896	33.0
109.06523	2.6
113.09657	36.9
117.01888	3.7
121.02880	2.1
123.08098	15.8
127.03934	86.8
127.15321	1.7
129.01840	4.5
129.03799	1.6
131.10696	100.0
141.09059	3.4
144.08096	2.7
145.04973	28.2
155.10709	15.4
159.02939	15.5
159.10204	8.4
173.11777	14.0
174.66127	1.8
189.03990	2.7
191.12801	50.2
191.14052	2.1
201.11212	9.4
213.03949	3.6
222.86543	1.7
227.36465	1.7
231.05055	26.4
249.06133	4.0
257.13727	2.0
281.13763	4.2
295.14175	2.5
343.13916	2.2
359.17010	5.1
361.14746	2.8
378.65997	1.8
385.14972	8.7
403.16266	8.3
421.17169	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	456.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74357	0.3
55.01868	0.3
65.03943	2.9
67.05491	0.3
69.03427	0.8
69.09612	0.3
69.96593	0.3
69.96906	1.6
70.06609	0.8
71.04974	0.3
72.08154	1.0
79.05531	0.4
81.03439	0.4
81.07054	0.3
85.02915	1.8
91.05485	1.3
92.05013	10.7
93.07055	0.7
97.02909	0.4
103.05534	0.3
109.02843	0.3
117.07032	1.3
118.06671	0.3
120.04475	100.0
121.04789	0.6
124.16833	0.3
127.03979	0.4
129.07014	0.5
130.06525	0.9
131.08554	1.4
132.08098	1.6
134.06027	1.1
137.05998	0.5
141.06979	0.6
143.07306	2.1
143.08267	0.3
144.08095	64.6
145.08467	0.5
151.08652	2.0
153.68774	0.3
156.08110	1.9
157.08900	1.9
158.09660	3.9
159.08095	1.1
162.05484	0.3
168.08134	1.0
174.09193	0.7
175.12317	2.9
176.07208	0.3
184.07567	0.7
186.09158	17.6
187.07520	0.7
198.05537	0.4
201.10236	0.7
217.13394	0.7
241.08302	0.3
251.11755	0.6
258.14917	2.3
258.62521	0.3
263.11819	1.2
270.11298	0.6
276.15506	1.3
288.12402	2.0
293.17194	0.9
294.15997	48.9
295.16446	0.8
306.13287	2.8
308.15030	0.4
318.16025	2.8
336.17102	12.9
337.17383	0.5
384.17249	0.4
402.18057	1.0
420.19241	0.5
438.20773	2.3
456.22479	3.2
457.14795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2933
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
55.05506	2.4
57.03456	3.4
57.07082	20.4
61.75344	0.5
62.06097	24.2
67.05515	3.2
69.07078	2.9
69.16858	5.9
71.08640	13.0
79.05499	0.8
81.07066	5.7
83.08637	4.3
85.10194	7.8
86.42187	0.6
95.08617	8.0
97.10176	2.2
98.98505	4.2
109.10179	3.2
111.11739	0.7
121.28033	0.5
123.11702	1.7
124.01610	1.9
135.85764	0.5
137.13271	0.6
142.02602	1.2
155.01070	5.4
173.02107	1.0
198.05298	1.4
211.05737	0.5
216.06317	2.9
239.23837	1.4
240.44519	0.6
257.24823	0.7
282.27930	11.6
291.07571	0.6
309.08087	0.5
313.27402	100.0
314.27646	1.5
393.24112	7.2
436.28268	4.0
439.63895	0.6
454.29611	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	454.2805
Annotation	N-Deethyldelphatine
Peak:m/z	Relative Intensity
51.85190	0.4
53.03939	1.0
55.01867	1.8
55.05521	0.9
56.55626	0.4
57.03445	2.5
57.07069	0.5
58.06606	3.4
59.04993	0.6
61.02917	2.0
62.53019	0.4
67.05508	3.5
67.50019	0.5
69.03436	8.2
69.07071	4.1
69.55923	0.9
69.56333	1.8
70.06258	0.6
70.06604	7.8
71.04997	2.2
72.08151	0.9
73.02913	1.8
79.05503	2.4
80.35272	0.4
81.03432	3.3
81.07060	5.0
82.06583	0.9
82.07407	1.0
83.04977	1.5
83.08639	0.8
84.08156	22.7
85.02919	15.6
85.03436	0.7
87.04449	1.5
87.60242	0.4
91.03974	0.7
91.05505	2.6
93.07044	1.9
95.04980	3.0
95.08598	2.6
96.08147	0.8
97.02898	6.8
97.06559	0.9
98.06060	1.4
98.09721	1.1
99.04453	2.3
99.08065	0.9
105.07041	5.6
107.04975	0.9
107.08595	1.9
109.02909	2.3
109.06496	1.8
109.10160	3.9
110.09679	1.5
117.07059	0.9
119.08575	2.0
120.08092	0.5
121.06516	0.9
121.10146	0.8
122.09639	1.1
123.08115	0.6
123.11710	0.8
123.18877	0.5
124.04063	0.5
127.03947	3.6
127.11211	1.1
128.07094	0.6
129.07043	0.5
131.08582	1.3
131.90031	0.5
133.10103	2.7
134.09621	0.6
135.08087	3.3
135.11696	1.0
137.09615	0.5
143.08490	1.0
145.04999	1.8
145.10133	1.8
146.06036	2.5
147.08156	0.8
147.11688	1.1
149.09641	0.7
151.11237	1.0
152.05688	0.6
153.12770	1.6
159.11736	1.6
161.09637	23.9
161.13264	0.7
163.11227	1.1
169.10172	0.5
169.12297	1.9
170.12662	0.8
171.13872	4.8
173.13263	0.7
174.05551	1.6
175.11192	1.7
177.12794	0.9
185.13179	0.5
187.11195	3.3
189.12766	0.5
192.13901	3.8
201.12758	0.9
202.13573	1.0
205.12280	3.1
206.12622	0.6
217.16010	0.9
218.15433	0.8
225.16393	0.4
236.16475	5.9
243.17484	8.6
261.18521	12.9
266.27841	0.4
274.10803	1.0
274.21790	5.5
292.22748	12.1
300.08725	1.3
314.41486	0.5
423.23813	1.3
436.17645	0.8
454.28055	100.0
455.28424	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	454.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.4
55.01864	8.6
55.05505	14.1
58.06614	42.5
59.55799	7.2
69.03439	50.6
69.07070	20.9
69.57251	53.2
70.06582	32.3
71.04992	33.3
79.05500	19.3
81.03410	30.3
81.07066	67.5
82.06593	8.1
84.08152	59.0
85.02918	77.2
86.09701	9.1
87.00845	41.2
91.05478	22.4
93.07056	43.3
95.04988	12.1
95.08593	28.3
97.02892	28.4
97.06501	14.5
101.06029	7.5
105.01884	42.0
105.07014	13.1
106.02925	11.1
107.08580	35.7
109.02878	35.8
109.06519	11.1
109.10170	19.7
116.07095	12.0
119.08567	19.9
120.83701	7.5
121.06520	7.5
121.10104	11.2
123.04443	21.8
123.11685	17.3
124.03992	49.7
127.03915	45.0
129.10252	11.5
135.11736	37.5
138.09119	14.0
139.03995	10.2
145.04901	19.3
149.06001	9.1
151.11218	15.5
153.12747	100.0
163.03912	10.8
165.05168	7.7
166.08630	32.1
169.12317	19.2
170.05934	8.8
170.12604	8.4
171.13840	22.2
177.12776	8.2
200.11815	8.5
249.06044	12.5
268.08179	16.7
286.09070	16.4
333.13034	10.8
351.87897	9.5
383.17001	16.1
454.24600	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	454.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.0
55.01870	8.9
55.05512	8.1
57.03435	5.0
57.07077	1.7
58.06610	1.9
59.05006	2.1
61.02924	6.1
65.03935	2.3
66.76427	1.4
67.05497	6.4
68.99780	3.9
69.03436	38.3
69.07073	26.5
70.06585	5.2
71.01342	2.4
71.04993	5.2
71.53052	1.8
72.08142	3.8
73.02925	4.4
73.06590	1.4
75.75323	1.3
79.05498	4.7
81.03423	26.5
81.07073	11.0
82.06544	1.3
82.39748	1.4
83.04991	2.4
83.08617	6.9
84.04498	1.7
84.08141	2.0
85.02912	100.0
85.17546	1.2
86.09718	2.1
87.00838	43.1
91.05500	8.5
92.05814	1.6
93.07037	8.8
95.04985	3.5
95.08618	10.1
97.02905	29.8
97.06516	5.4
99.04458	9.9
100.11267	5.5
105.01879	48.6
105.07030	3.3
107.04966	3.9
107.08604	6.1
108.05254	1.9
109.02129	2.9
109.02890	46.8
109.10155	4.8
111.04499	1.6
111.08092	2.9
111.11736	14.3
115.03922	2.6
117.01863	2.3
117.06989	1.9
119.04976	4.4
120.04477	11.2
120.05258	2.4
120.08120	1.4
121.06499	1.8
121.10147	1.8
123.04430	33.0
123.11648	2.0
124.03955	3.4
124.04766	14.5
125.13228	1.5
127.03928	72.9
129.01845	3.1
131.04828	1.5
131.08572	4.6
133.06465	1.7
135.04431	8.0
135.11705	10.2
136.04756	1.8
137.02342	18.9
137.05925	1.8
138.02666	7.6
139.03957	2.2
145.02879	2.3
145.03931	2.0
145.04977	22.5
147.02914	2.4
147.04422	12.9
148.04741	6.6
149.06027	1.9
150.09155	4.3
153.12766	45.2
159.02888	11.5
159.08087	2.6
161.05992	4.4
163.03943	16.3
164.04295	9.7
165.01842	1.7
165.05530	7.7
166.02318	1.6
166.05858	3.6
171.02878	2.1
171.13817	76.2
175.08698	3.9
177.05496	1.5
179.07022	1.4
180.03687	2.0
182.15459	2.5
184.07458	2.4
186.07619	1.8
187.07581	1.8
187.11005	2.0
189.03888	1.5
189.14879	19.9
191.01672	2.6
191.03409	51.2
192.03752	39.8
203.03360	3.3
204.03740	2.8
207.06610	3.6
210.14998	3.1
213.03951	13.3
231.05013	26.5
234.04707	1.7
247.50302	1.5
249.06024	7.1
258.14911	5.2
259.05994	2.4
260.06378	4.7
261.10165	1.6
272.06308	2.6
274.19043	1.6
279.15863	4.9
283.10822	4.8
292.14648	3.8
292.22809	2.3
297.16980	1.9
301.07184	7.1
302.07388	14.8
313.06995	2.4
314.07440	7.9
317.06250	1.5
318.06937	1.9
334.15564	1.8
343.08176	11.4
343.12561	3.2
344.08472	28.3
383.17038	2.3
401.18198	7.4
406.91663	1.4
409.17810	1.5
412.10950	6.3
419.19147	4.5
436.10883	3.2
436.19366	2.0
437.16772	2.1
453.84439	1.7
454.12796	3.1
454.19751	15.4
454.26004	2.7
454.33682	2.6
455.19135	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	454.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13363	1.0
50.84285	0.9
58.06606	81.7
59.06301	1.3
59.06938	12.6
69.03426	1.3
70.06584	1.2
80.57867	0.9
84.08138	0.9
85.02905	1.8
92.77319	1.1
112.89621	9.7
115.05456	1.0
116.07064	1.0
121.22912	1.0
132.08115	1.2
160.07590	18.3
161.07959	13.5
166.02682	23.5
202.08717	1.3
203.09009	1.8
205.13362	4.7
206.13721	4.9
233.97704	1.0
250.53458	1.0
266.67618	1.1
292.05811	3.6
365.14291	1.3
375.50644	1.1
410.19940	3.5
454.11072	100.0
454.18863	29.8
455.11038	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69272	0.2
62.06091	0.4
67.04250	0.9
69.03432	0.5
70.06252	0.2
70.06596	1.6
71.05028	0.3
71.51566	0.4
72.08170	0.4
72.12964	0.3
82.06590	16.6
83.07388	0.5
84.08146	2.1
85.02894	0.6
86.09705	0.4
91.05474	0.3
93.07063	0.2
98.06087	0.3
100.07628	5.1
110.07169	0.3
116.07117	1.4
123.04425	0.3
127.03893	0.3
128.07091	100.0
129.07430	0.5
129.10265	0.3
137.06012	0.3
142.06905	0.2
144.39487	0.2
154.82893	0.2
163.03912	0.3
165.05559	0.2
177.05399	0.4
188.07475	0.4
206.08615	0.3
231.51620	0.2
238.14281	0.2
256.19153	0.4
274.10660	0.3
274.20154	0.3
292.12036	0.4
292.15390	2.9
301.06879	0.3
367.98883	0.3
454.13971	0.3
454.20810	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	453.3368
Annotation	Kulactone
Peak:m/z	Relative Intensity
53.03941	2.3
55.01863	2.4
55.05270	1.1
55.05516	17.0
57.07071	4.4
59.05001	1.3
61.75807	0.8
65.03930	2.9
67.05511	32.5
69.03437	40.9
69.03820	2.3
69.06726	1.4
69.07076	21.6
69.23679	7.7
69.24104	2.1
69.37524	0.8
71.04997	6.0
71.08632	1.6
73.06558	4.2
79.05503	15.7
81.03428	2.5
81.07063	37.7
83.04991	7.2
83.08621	10.4
85.06547	2.3
86.23624	0.9
88.04811	0.9
89.06045	12.6
90.06361	2.1
90.38172	0.9
91.05493	15.3
93.06142	1.1
93.07052	32.9
95.04980	32.8
95.08617	49.9
97.06555	10.3
97.10162	5.5
99.08109	6.8
101.31722	1.1
105.06313	1.1
105.07042	27.7
107.04984	5.2
107.08605	36.7
109.06544	6.3
109.10170	31.5
111.08105	10.2
113.00004	1.2
113.09707	1.5
117.07024	7.1
118.80520	1.0
119.08597	37.2
121.06524	4.1
121.10159	35.7
121.11028	1.8
123.08099	15.5
123.11723	19.9
125.09637	6.8
127.11201	1.9
128.06245	1.7
129.07019	6.2
130.07814	1.4
131.08578	20.6
133.08641	6.6
133.10144	33.4
134.08968	1.5
135.08075	8.1
135.11693	12.5
137.09605	5.9
137.13298	2.2
139.07559	2.4
139.11177	3.5
141.06966	2.1
141.09134	6.7
142.07759	2.7
143.08563	11.8
144.09341	2.1
145.10135	27.9
147.08087	1.4
147.11702	18.2
149.09621	7.7
149.13261	10.7
151.10045	0.9
151.11182	6.0
153.12790	1.6
155.08580	5.6
156.09306	2.7
157.10141	18.7
158.10844	1.6
159.11710	29.3
161.09634	4.4
161.13274	29.2
163.11171	4.6
163.14816	4.3
165.12758	3.3
167.08560	2.0
167.10745	5.9
168.09253	1.1
169.10120	9.9
169.12317	1.5
170.10876	1.8
171.11714	19.6
173.09642	1.3
173.13280	16.1
175.11226	3.7
175.14841	8.8
177.12796	6.7
179.10873	1.0
179.14249	1.7
181.10091	4.9
181.12354	1.0
182.10999	1.5
183.11725	13.2
184.12468	1.2
185.09645	1.9
185.13306	16.7
187.11209	3.5
187.14845	16.6
189.12703	6.6
189.16444	7.8
191.14352	3.6
193.10255	2.1
193.12335	2.2
195.11743	9.0
196.12498	3.2
197.13297	11.9
199.14859	12.6
201.12810	4.5
201.16382	7.6
203.14398	6.2
203.17937	2.5
205.15942	3.6
207.11768	2.3
208.12561	1.2
209.13280	9.0
210.14088	1.3
211.14856	13.1
213.12752	2.3
213.16391	10.4
215.14319	3.5
215.18018	4.7
217.15953	3.4
217.19595	1.5
221.13275	3.3
221.15286	1.1
223.14857	8.0
225.16360	11.8
227.14424	2.1
227.17963	15.4
229.15912	5.2
229.19495	1.3
231.17470	9.0
233.13318	1.6
235.14821	2.3
237.16415	6.7
239.14954	10.7
239.17650	6.6
240.15283	6.2
241.15829	3.0
241.19562	4.2
243.17456	3.6
243.21254	1.7
245.19040	15.7
249.16405	3.5
251.18011	6.3
253.15829	1.5
253.19583	5.1
255.17427	3.3
255.21085	2.8
257.19037	8.9
259.20596	11.0
263.17999	2.8
265.19525	5.4
267.21115	2.8
269.19061	3.9
269.22363	1.0
271.20688	3.4
277.19687	4.5
279.17645	1.4
279.21082	3.7
281.19116	4.9
281.22498	1.3
283.20618	12.2
285.22189	8.8
293.19482	1.8
293.22699	3.6
295.20645	11.3
295.24289	13.7
297.22229	6.9
299.23758	1.5
307.20596	2.6
309.22137	9.2
311.20117	2.5
311.23676	32.5
312.24466	1.1
313.25281	48.4
319.24316	2.0
321.22137	3.7
321.25772	1.7
323.23758	3.0
325.25336	1.6
331.24057	1.2
335.23788	2.9
335.27448	1.9
337.25281	19.7
339.23322	1.5
339.26877	12.0
345.25644	2.1
347.23761	1.2
349.25348	4.0
351.26862	8.6
353.24658	2.0
353.28455	4.5
361.25305	2.3
363.26868	23.6
365.28482	2.5
367.26172	1.6
371.00964	1.0
379.26346	1.4
381.27911	86.7
383.29614	3.3
393.31863	1.1
395.29446	1.3
407.33145	2.2
417.31509	10.9
420.31854	1.0
425.34070	3.0
435.32657	25.4
453.33688	100.0
454.34000	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	453.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01686	1.6
53.03948	3.6
55.01884	4.5
55.05513	5.1
57.03433	1.9
57.07082	1.6
58.06596	10.8
61.02951	1.7
67.05502	5.2
69.03437	12.9
69.07059	7.6
70.06588	6.7
70.07411	1.4
71.04999	19.9
71.52319	1.6
72.08170	3.4
73.02908	2.5
73.06545	2.3
79.05502	5.2
81.03441	10.9
81.07065	21.6
82.06590	2.2
82.07409	3.2
83.04990	3.6
84.08137	4.2
85.02908	17.2
85.06544	6.2
86.09703	8.5
87.00824	3.0
87.91652	1.4
88.04631	1.4
91.05487	17.0
93.07043	16.8
95.04968	14.9
95.08619	10.1
97.02892	11.3
97.06538	5.0
97.10175	4.9
98.06889	1.4
99.04469	12.9
99.08113	2.4
103.03942	6.4
105.01890	1.6
105.07040	20.3
107.04933	1.5
107.08598	23.5
109.02885	9.8
109.06530	2.6
109.10160	14.9
116.07104	2.9
119.04942	22.7
119.08590	9.1
120.08149	4.2
121.10151	36.1
123.04422	4.2
123.08090	2.2
123.11723	6.3
124.65485	1.3
125.09630	26.2
126.09983	1.8
127.03928	34.7
127.11156	7.1
128.07082	14.2
129.10254	2.1
131.08588	4.8
133.10141	42.1
133.31140	1.4
135.11691	5.3
141.07047	1.6
143.10680	80.0
145.04922	9.8
145.10104	7.3
147.04422	100.0
147.11690	8.4
149.13240	4.7
151.11229	7.9
153.12712	3.2
157.06494	1.5
159.03020	1.5
159.11668	7.0
161.13260	2.5
163.11247	2.1
165.05505	3.5
167.06915	1.8
169.06468	2.7
169.12228	9.6
169.15817	1.6
170.12614	11.3
171.04442	2.9
173.13185	1.7
175.03958	1.8
177.05392	1.9
187.13312	2.8
187.14803	2.2
188.13617	2.9
189.05492	2.9
189.16399	17.0
197.06039	3.1
201.16397	8.1
207.17519	6.6
215.07071	6.3
216.07326	3.9
217.07611	1.8
219.17438	22.7
225.18585	2.5
237.18494	27.1
246.11189	1.6
250.80687	1.4
255.06345	2.1
255.19579	17.4
257.78870	1.4
259.09589	8.2
260.09964	4.2
261.10352	6.0
268.85532	1.4
273.20642	5.9
291.08554	1.8
309.09525	1.9
326.04123	1.7
340.74625	1.7
453.21426	2.9
453.34253	2.6
455.12460	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	453.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01686	1.6
53.03948	3.6
55.01884	4.5
55.05513	5.1
57.03433	1.9
57.07082	1.6
58.06596	10.8
61.02951	1.7
67.05502	5.2
69.03437	12.9
69.07059	7.6
70.06588	6.7
70.07411	1.4
71.04999	19.9
71.52319	1.6
72.08170	3.4
73.02908	2.5
73.06545	2.3
79.05502	5.2
81.03441	10.9
81.07065	21.6
82.06590	2.2
82.07409	3.2
83.04990	3.6
84.08137	4.2
85.02908	17.2
85.06544	6.2
86.09703	8.5
87.00824	3.0
87.91652	1.4
88.04631	1.4
91.05487	17.0
93.07043	16.8
95.04968	14.9
95.08619	10.1
97.02892	11.3
97.06538	5.0
97.10175	4.9
98.06889	1.4
99.04469	12.9
99.08113	2.4
103.03942	6.4
105.01890	1.6
105.07040	20.3
107.04933	1.5
107.08598	23.5
109.02885	9.8
109.06530	2.6
109.10160	14.9
116.07104	2.9
119.04942	22.7
119.08590	9.1
120.08149	4.2
121.10151	36.1
123.04422	4.2
123.08090	2.2
123.11723	6.3
124.65485	1.3
125.09630	26.2
126.09983	1.8
127.03928	34.7
127.11156	7.1
128.07082	14.2
129.10254	2.1
131.08588	4.8
133.10141	42.1
133.31140	1.4
135.11691	5.3
141.07047	1.6
143.10680	80.0
145.04922	9.8
145.10104	7.3
147.04422	100.0
147.11690	8.4
149.13240	4.7
151.11229	7.9
153.12712	3.2
157.06494	1.5
159.03020	1.5
159.11668	7.0
161.13260	2.5
163.11247	2.1
165.05505	3.5
167.06915	1.8
169.06468	2.7
169.12228	9.6
169.15817	1.6
170.12614	11.3
171.04442	2.9
173.13185	1.7
175.03958	1.8
177.05392	1.9
187.13312	2.8
187.14803	2.2
188.13617	2.9
189.05492	2.9
189.16399	17.0
197.06039	3.1
201.16397	8.1
207.17519	6.6
215.07071	6.3
216.07326	3.9
217.07611	1.8
219.17438	22.7
225.18585	2.5
237.18494	27.1
246.11189	1.6
250.80687	1.4
255.06345	2.1
255.19579	17.4
257.78870	1.4
259.09589	8.2
260.09964	4.2
261.10352	6.0
268.85532	1.4
273.20642	5.9
291.08554	1.8
309.09525	1.9
326.04123	1.7
340.74625	1.7
453.21426	2.9
453.34253	2.6
455.12460	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	453.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38520	1.1
52.60199	1.1
53.03936	1.7
55.01878	4.8
55.05517	1.4
57.83680	1.1
61.23488	1.1
63.89817	1.2
65.15163	1.1
66.04719	1.5
67.05514	2.1
68.99317	1.1
69.07066	5.9
71.52070	1.2
72.99527	1.2
78.08678	1.4
78.30213	1.1
79.05484	7.7
80.38296	1.2
81.03425	4.3
81.07052	2.2
83.04969	1.8
90.04494	1.2
90.21220	1.4
91.05468	6.4
94.04176	2.2
95.04984	2.0
95.08599	1.5
102.75005	1.5
103.05512	2.1
105.07031	4.2
107.04984	4.4
108.05732	1.8
109.06499	2.5
112.17532	1.4
115.05476	1.8
117.07018	4.4
119.08530	1.4
120.41681	1.5
121.06517	12.4
122.03651	3.4
127.00719	2.0
128.06134	1.7
129.07031	1.9
131.04929	3.1
131.08586	3.2
135.04446	3.3
135.08025	7.3
136.05223	7.8
137.06007	11.8
139.07478	1.3
142.07813	2.3
143.08546	1.7
145.01770	1.5
145.06487	5.2
146.07309	2.0
147.08014	2.0
149.05978	3.1
150.06810	3.2
151.03943	11.6
151.05011	1.8
151.07555	56.7
155.07106	2.2
155.08530	1.9
157.06468	1.6
158.07265	4.5
159.08047	5.8
160.08839	2.0
161.06070	2.5
161.09610	1.6
162.06754	2.3
163.03944	5.9
163.07574	10.0
163.11192	2.7
165.05489	100.0
165.09134	17.2
169.10228	1.3
171.08006	2.9
172.08952	2.3
173.09645	3.1
174.06775	6.4
175.07584	7.0
177.09134	10.1
179.07040	13.1
179.08588	2.1
181.06499	1.5
183.08066	2.9
185.09642	3.6
187.07559	3.9
187.11127	1.5
188.08333	4.2
189.09125	17.4
191.06953	2.0
191.10715	13.8
191.14429	1.7
195.08006	2.3
197.01421	1.8
201.09140	4.5
202.09949	3.2
203.10687	7.7
204.11409	2.1
205.08661	1.6
205.12274	8.4
209.08055	2.1
215.10762	3.4
217.08635	3.8
217.12239	14.6
219.10307	18.4
219.13803	60.4
227.10884	1.5
231.10106	2.6
231.13879	4.0
233.11763	4.4
233.15405	5.9
237.12881	1.5
243.13962	1.8
247.07794	1.3
247.13370	2.2
255.13757	4.8
263.05832	1.7
269.15527	2.0
271.16873	1.6
275.10684	1.4
276.07831	1.5
276.10965	1.3
287.10727	1.5
287.16583	6.9
289.08643	1.7
291.10239	2.4
292.10849	1.5
303.10202	1.6
305.11566	2.2
307.10098	2.7
307.13358	2.4
309.11322	1.7
311.13071	2.2
317.11816	2.5
319.13202	2.6
321.11151	4.0
323.12808	1.9
327.13779	1.7
333.14902	2.0
335.12851	4.2
337.14270	2.8
347.12762	2.7
349.14355	4.8
350.15567	1.9
351.16287	2.0
353.13733	2.3
359.16669	1.8
361.18390	1.6
365.17657	10.1
367.15433	3.8
379.15414	3.3
380.19589	2.0
384.15863	1.7
385.17389	1.7
393.20718	1.8
397.16397	2.6
402.18188	1.7
403.19006	4.5
405.20737	2.9
407.22217	2.8
412.11282	1.5
414.09726	1.7
415.10083	3.9
417.20450	6.9
421.19955	2.6
423.21594	3.7
430.12570	11.6
435.21664	21.2
453.13284	1.8
453.22726	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32536	0.5
53.97105	0.4
55.01884	1.5
55.05522	0.7
55.50270	0.4
56.05030	0.5
57.03433	0.6
58.06606	100.0
59.05000	0.6
65.03954	0.6
67.05512	1.0
69.03433	2.6
70.06601	1.0
71.04986	0.8
71.08846	0.4
71.52912	0.7
72.08170	0.5
74.91302	0.4
77.03939	0.5
81.03439	1.8
81.07069	1.1
83.04984	1.1
83.08627	0.6
84.08145	0.9
85.02916	6.3
86.09716	0.8
87.00812	0.7
87.04477	0.5
91.05497	0.9
93.07071	0.9
95.04988	1.1
97.02910	3.0
98.61717	0.5
99.04478	0.5
99.62106	0.4
100.11266	6.9
100.55846	0.4
105.01915	0.6
105.07069	0.7
109.02907	0.7
109.10201	0.4
110.07137	0.7
111.04480	1.3
115.05473	1.0
119.04987	1.3
120.08116	1.2
123.04440	27.2
123.11766	0.6
127.03945	2.8
129.10353	0.5
132.08125	1.8
133.06479	0.8
133.10217	0.7
135.04480	1.1
137.02380	0.5
138.58669	0.4
139.03915	51.4
143.05083	0.6
143.07339	0.7
143.49774	0.5
145.05013	1.3
147.04419	7.6
151.03879	2.5
151.11154	0.7
152.11528	0.7
154.05055	1.0
155.05403	0.5
159.06824	0.5
160.07597	32.8
161.06006	0.9
163.03896	3.8
165.05484	6.5
169.12288	1.0
174.09157	1.4
177.05544	0.6
179.07074	0.5
181.05017	0.7
184.07535	2.1
187.13419	0.7
195.51497	0.4
200.07228	0.5
200.09396	0.6
202.08627	4.7
205.05034	0.9
205.13432	2.0
207.06577	1.6
209.16628	1.1
211.09229	0.4
227.17554	7.3
243.84961	0.4
255.01822	0.6
273.02856	0.7
273.07547	3.3
273.13541	0.6
291.08667	9.4
304.64709	0.4
357.09946	0.5
390.15466	1.2
408.16800	0.5
409.19107	0.5
435.12485	0.5
435.18643	0.6
453.22507	51.2
454.22769	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
53.99034	1.0
55.01873	1.4
55.05502	2.7
57.03444	1.9
58.06591	2.9
67.01837	1.0
67.05509	7.3
68.99786	1.8
69.03420	3.3
69.07065	3.2
70.06583	1.2
71.04202	2.1
71.04546	1.1
71.04988	2.0
79.05508	8.0
81.03429	8.3
81.07071	16.5
83.04990	2.0
83.08633	1.2
85.02903	2.7
91.05486	5.0
93.07045	10.3
95.04995	6.2
95.08626	9.5
97.02889	4.3
97.06552	9.0
99.04446	2.2
100.11273	1.7
103.03918	1.6
105.07034	6.3
107.04951	3.2
107.08601	9.9
109.02882	3.4
109.06543	2.4
109.10177	6.6
111.04444	2.3
113.05986	1.3
117.07022	2.0
119.08576	4.2
121.06520	2.2
121.10117	2.7
123.04453	6.4
123.08120	1.0
123.11724	10.3
125.05978	2.2
125.09618	1.3
126.03097	1.8
127.03934	2.3
128.06244	1.3
131.08585	1.4
133.10126	4.3
135.04427	2.0
135.08054	2.0
135.11760	2.0
137.05971	4.7
137.09653	2.0
139.03906	4.0
141.05479	100.0
143.08606	1.6
145.06519	1.4
145.10143	3.1
147.04407	1.8
147.11710	1.9
149.05998	1.8
149.09628	2.2
151.03925	2.7
151.07555	4.2
151.11189	11.0
153.05486	75.9
153.12689	1.2
155.43681	0.9
157.06569	1.4
157.10094	1.2
158.07175	1.5
159.11632	1.5
160.07562	1.4
161.06007	2.6
161.09633	1.9
163.03923	1.8
163.07523	1.6
163.11191	2.7
165.05499	6.3
165.06819	1.7
165.09074	2.3
165.12802	1.0
167.07008	1.2
169.12207	2.5
171.08203	1.2
175.07591	1.1
175.11180	1.5
177.05513	8.7
179.03450	1.0
179.07019	2.2
181.12241	1.7
182.15463	1.1
183.06546	5.6
185.09682	1.1
187.07559	1.2
187.11224	1.2
189.05540	1.5
189.09094	1.2
191.07092	4.6
191.10678	1.3
195.06519	4.5
201.09145	10.0
203.07085	1.8
203.10724	2.4
205.12125	1.4
207.06586	3.5
215.07025	2.5
215.09013	1.2
219.06519	5.1
231.06676	6.3
231.10223	1.1
231.13751	1.1
235.09520	1.2
243.06525	3.4
247.13307	3.4
249.07663	2.7
256.07343	1.5
259.13370	1.6
260.10098	1.2
261.07614	5.3
261.10251	1.8
277.14267	2.3
279.08633	2.6
291.15903	2.0
295.15518	1.9
303.08505	1.9
379.15070	2.2
399.18091	5.0
417.18796	2.7
435.17661	1.3
453.11810	2.6
453.18079	1.6
453.33817	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	453.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
53.13493	1.7
55.01865	4.4
55.05507	6.0
56.56415	2.3
57.03429	4.8
57.42847	1.9
58.06584	4.3
61.02930	4.6
67.05495	8.7
68.99801	3.8
69.03434	23.4
69.07063	13.5
70.06580	1.8
70.52070	2.0
71.04993	22.8
71.53483	2.3
73.02919	4.0
79.05499	10.9
81.03423	11.5
81.07059	64.5
83.04974	7.0
85.02908	54.3
86.09708	2.5
87.00838	13.2
91.05495	5.0
93.07047	8.8
95.04973	5.1
95.08607	4.3
97.02896	19.6
97.06542	6.5
99.04459	8.0
99.08091	6.4
105.01864	11.7
105.03400	2.2
105.07047	4.9
107.05019	2.5
107.08583	17.8
109.02895	13.5
109.06538	4.0
109.10149	18.0
110.07207	2.2
111.04484	3.5
111.08067	2.7
111.11724	4.4
117.07031	2.1
119.04933	6.4
121.10146	4.5
123.04433	63.4
123.11713	31.1
124.03973	3.3
127.03922	27.4
127.11177	3.0
133.10150	4.9
135.04443	5.2
135.11696	2.3
137.05959	4.1
138.28154	1.9
139.03911	100.0
139.11195	11.0
145.02831	2.3
145.04955	9.0
145.86583	2.0
146.06039	9.0
147.02898	1.8
147.03307	2.8
147.04405	22.7
149.05910	2.2
151.03918	7.8
151.11189	44.0
153.12691	3.6
157.12251	19.3
159.02916	3.1
160.07658	2.6
161.05945	5.3
163.03909	18.2
165.05479	19.4
167.10704	2.2
169.04913	2.5
169.12247	74.0
175.03972	3.4
177.05460	8.4
181.05019	6.5
187.13301	92.5
193.05009	6.1
205.04944	9.8
205.14388	7.8
207.06567	5.5
207.36081	2.2
231.04994	4.2
235.06076	5.6
247.05948	12.4
251.07962	2.7
254.06949	2.0
255.07707	3.1
259.06042	4.8
265.06946	3.3
267.07755	10.1
268.08347	2.0
269.09097	4.6
273.07767	3.5
277.06989	2.1
279.07733	2.2
283.08179	3.5
285.08792	20.5
291.08652	29.6
293.09143	4.7
297.08771	13.9
301.09174	4.2
303.08646	7.3
309.08655	1.9
311.10306	4.0
315.09695	12.0
333.10657	3.8
339.09515	8.2
347.15677	2.1
351.09406	5.9
357.09726	4.5
363.09555	6.7
368.39908	2.5
381.10754	5.6
399.11285	7.3
417.12509	4.3
421.31503	2.1
435.13644	10.1
453.13800	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	453.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.4
55.01871	4.6
55.05502	8.2
57.03434	3.7
58.06598	7.3
59.05004	2.4
61.02935	4.0
67.05502	9.0
68.99791	3.3
69.03432	21.9
69.07073	14.7
70.06577	3.7
71.04997	27.2
71.52791	2.8
73.02921	2.5
79.05481	12.3
81.03434	17.5
81.07064	75.6
83.04985	8.3
84.08150	3.0
85.02915	58.3
85.06546	4.1
87.00834	17.6
87.04496	2.4
91.05484	8.4
93.07053	8.4
95.04966	8.2
95.08602	7.5
97.02879	16.1
97.06543	7.9
97.10201	2.4
99.04467	10.5
99.08118	4.1
101.06010	2.5
105.01868	12.5
105.07040	3.3
107.08591	16.6
109.02897	13.3
109.06455	4.5
109.10178	23.1
111.08083	3.9
111.11724	7.1
117.01859	2.1
119.04948	2.6
121.10178	5.0
123.04443	59.5
123.08096	4.1
123.11710	36.8
124.03963	4.9
127.03938	25.3
127.07543	2.1
129.10226	2.1
133.10161	5.7
135.04431	4.0
135.11729	2.1
137.05972	2.6
139.03915	100.0
139.11205	13.1
143.04852	2.3
145.02911	2.5
145.04962	14.0
146.06032	11.6
147.04396	17.9
149.06007	3.3
151.03929	12.1
151.11186	48.5
157.12256	16.0
159.02885	5.5
160.07565	2.8
161.05954	3.3
163.03911	20.1
165.05498	17.4
169.12256	82.7
175.03926	3.5
177.05481	11.3
181.04970	7.8
181.06490	2.4
187.13309	96.1
189.05528	3.9
191.03464	2.8
193.04988	2.3
205.05078	5.6
205.14345	14.2
207.06596	3.9
231.04918	5.2
235.05894	3.2
237.14951	2.3
247.06042	4.8
251.08159	2.3
255.07698	4.8
259.06082	3.2
265.09705	3.0
267.07657	13.9
269.09299	3.7
273.07568	5.6
285.08710	17.0
291.08588	23.3
293.09131	3.8
297.08755	15.1
301.10666	2.1
303.08649	7.4
309.08545	2.7
311.10345	4.1
315.09583	9.2
333.10416	6.8
339.09723	7.9
351.09729	8.3
357.09830	3.1
363.09796	6.8
381.10800	5.4
399.11548	4.7
417.12332	2.2
422.67191	2.1
435.13864	8.4
453.13916	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	453.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44041	0.9
51.84618	1.4
54.44561	0.9
55.01891	4.7
56.12988	1.1
57.03428	1.8
60.69006	0.9
63.64534	0.9
65.03916	1.1
67.05492	4.4
68.51054	0.8
68.99807	4.7
69.03414	1.0
69.07069	11.8
70.23671	3.9
75.04465	0.9
77.05134	0.9
79.05502	13.8
81.07024	1.5
89.03952	1.0
91.05493	1.3
95.04988	1.5
97.06542	100.0
98.20712	0.9
107.04971	1.9
108.05737	1.1
109.06514	1.2
111.04442	2.2
115.05418	1.1
119.04944	1.4
120.20070	0.9
127.86687	1.0
128.06216	0.9
135.04446	1.5
136.05220	1.4
139.03912	18.0
144.05655	1.2
145.06508	4.6
151.03914	1.5
151.07558	28.8
157.06522	10.2
158.07283	8.1
159.08066	1.6
163.03925	6.1
163.90147	1.0
164.04306	1.6
165.01833	1.3
165.04433	1.8
165.09116	1.9
167.07117	1.2
171.08096	1.1
172.08833	3.2
173.05966	4.3
174.06865	3.0
175.07518	1.1
177.05519	5.4
177.09122	1.2
177.76534	1.1
179.07013	3.4
185.05997	1.3
186.06781	2.3
187.07567	2.0
188.08278	6.8
189.05463	2.8
189.09135	7.9
191.07066	1.5
193.08557	2.1
201.09125	89.5
202.09831	5.7
203.10687	14.6
205.08662	1.7
208.08960	1.3
209.09673	2.3
211.07545	1.6
213.05501	1.1
213.09105	2.8
215.06950	5.0
221.09795	1.3
223.07616	2.8
225.09036	1.1
226.06256	2.0
231.10155	8.1
234.06741	1.5
235.07573	1.8
235.09654	17.9
237.08844	1.6
239.10672	3.0
241.05051	1.3
241.08554	2.6
242.05777	1.3
247.07516	1.6
248.08301	2.3
249.09132	3.9
250.06226	1.4
251.07045	3.5
252.07767	1.5
256.07339	18.6
257.07993	2.4
259.09677	3.7
261.10059	2.2
263.07010	5.6
263.10748	1.1
264.07809	1.9
265.08621	2.9
266.09314	1.5
267.10193	3.7
269.08060	6.3
270.30396	0.9
273.11237	6.3
275.07022	1.7
276.07852	1.5
277.08572	7.2
278.09360	4.4
279.06668	2.3
279.10178	3.1
281.11740	1.4
283.09552	1.7
285.07642	3.5
285.11191	3.8
286.08353	3.2
290.09409	2.3
291.07108	1.2
291.10110	6.3
293.08087	4.9
293.11664	3.2
294.08969	7.8
295.09668	2.0
299.09244	1.0
304.10815	1.2
305.08316	1.6
305.11731	1.3
306.08835	1.9
307.09802	4.9
308.10324	2.7
309.11447	4.6
310.08398	1.4
311.12616	2.3
317.11844	1.1
319.09671	1.6
320.10300	2.3
321.11179	7.8
323.09076	2.7
323.12885	4.1
324.10037	1.7
325.10696	3.3
326.11511	3.8
327.12186	4.3
333.11331	1.5
335.12714	7.9
337.10797	6.1
338.11807	2.2
339.12286	4.8
347.12888	5.8
348.13553	1.5
349.10526	1.4
350.11182	1.4
363.12033	1.6
363.15970	3.1
364.12885	1.5
365.13867	1.8
379.15433	25.1
382.14185	14.0
383.14850	7.0
391.15393	6.8
395.14670	2.1
403.15698	1.5
404.16031	1.7
405.17084	5.6
409.16422	2.2
420.15790	1.7
423.18051	8.8
435.18063	27.9
453.19107	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.3
58.06608	100.0
62.94299	0.4
69.03436	0.8
70.74467	1.1
78.25082	0.3
81.03417	0.9
85.02909	1.8
97.02930	0.7
109.02903	0.8
115.05477	1.0
127.03931	1.0
132.08150	1.4
143.07404	0.6
146.06134	0.4
160.07599	35.3
161.25739	0.3
182.91727	0.4
184.07573	0.8
187.06062	0.6
193.22340	0.3
202.08611	3.7
205.13390	11.2
226.08623	0.3
251.74095	0.4
265.46964	0.4
322.12173	0.4
330.42310	0.3
364.13953	1.8
367.18686	1.3
379.80676	0.4
408.13071	1.4
409.19711	4.7
453.18738	45.4
454.19022	1.0
463.28934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
55.01865	3.1
55.05505	1.8
59.14264	1.3
67.05511	3.7
68.99804	3.6
69.03440	2.7
69.07078	17.2
70.03075	6.2
71.01350	1.6
79.05509	8.2
81.03432	1.8
81.07054	2.8
83.04989	7.0
95.04993	3.0
97.06547	25.3
99.83472	1.4
107.04989	2.5
111.04475	1.4
115.05475	1.7
121.06495	2.0
123.04454	2.6
129.07059	3.5
131.04974	1.8
136.05267	2.7
139.03926	45.4
145.06491	4.2
151.03877	2.5
151.07567	33.9
157.06505	9.5
158.07312	6.5
159.08099	4.7
161.05988	3.4
163.03969	2.3
165.05495	2.6
165.09155	1.7
168.08475	1.9
172.08849	4.4
173.05960	5.1
174.06804	5.1
177.05516	5.9
179.07092	4.0
181.06519	2.5
183.07906	1.4
185.05963	1.9
186.06752	2.5
187.07603	2.5
188.04677	1.8
188.08359	10.5
189.05511	3.4
189.09122	10.5
191.07098	1.8
191.87270	1.4
192.14670	1.5
195.08122	3.9
196.08931	1.8
197.05864	1.9
197.09535	1.5
199.07535	2.3
201.09137	100.0
202.09830	8.0
203.10681	19.5
205.08632	1.8
209.09497	3.2
211.07549	2.2
213.09169	3.9
215.06970	20.2
215.10536	2.5
217.08646	4.7
219.08162	3.6
221.09680	1.6
223.07674	4.7
224.08295	1.9
225.09196	4.0
227.07248	1.6
227.10674	4.2
231.10153	9.4
234.06815	2.7
235.07513	4.5
235.09735	4.0
236.08266	1.9
237.09142	4.6
239.06857	2.1
239.10704	5.6
240.07935	1.9
240.11674	1.6
241.08553	8.7
241.12173	1.7
243.10188	1.6
247.07603	2.6
248.08345	3.0
249.09189	9.5
250.06270	3.3
250.09610	1.7
251.07080	6.6
251.10875	2.2
253.08659	3.9
255.10268	7.6
257.08133	6.0
260.08466	1.9
261.09125	4.6
262.10107	2.6
263.07108	7.6
263.10724	1.6
264.07819	4.6
265.08566	4.7
266.09317	2.5
267.06738	2.9
267.10144	8.7
269.07999	7.7
271.05948	2.4
273.11307	2.2
275.07071	2.2
276.07797	4.0
277.08615	14.4
278.09402	6.9
279.06564	8.3
279.10248	5.7
280.07257	5.3
281.08328	2.4
281.11664	3.0
282.09027	2.1
282.15195	2.5
283.09906	3.1
285.07620	25.3
285.10797	2.6
286.08380	6.6
289.08725	3.2
290.09427	3.8
291.06799	3.0
291.10257	5.5
292.07245	2.5
293.08121	7.3
293.11792	5.0
294.08911	12.6
295.06406	3.9
295.09656	10.2
296.10355	1.5
297.07693	2.9
297.11261	2.6
303.10257	2.8
305.08163	3.3
306.08838	6.2
307.09683	17.4
308.10355	4.1
309.11105	11.4
310.08392	6.3
310.11627	2.7
311.09152	5.6
312.09976	2.3
320.10681	1.7
321.11307	17.7
322.12006	2.5
323.09238	13.5
323.12653	3.1
324.09631	2.6
325.10773	15.6
326.11536	27.1
327.12375	11.4
337.10794	11.3
338.11566	26.1
339.12286	7.7
347.12720	1.6
353.10150	3.4
355.11655	2.7
356.12601	5.7
363.12067	1.8
364.13028	8.7
365.13794	5.5
373.14429	3.2
377.13638	2.0
382.13986	2.2
383.14923	4.6
384.17099	1.9
405.17038	26.4
407.18488	1.9
417.16925	7.5
423.17978	3.5
435.18167	27.4
453.19113	23.2
453.24527	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	453.1398
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02396	0.6
53.03933	1.2
55.01868	1.3
57.03437	1.3
58.06592	2.0
61.02935	0.9
65.03938	0.9
67.05524	1.1
68.99794	0.6
69.03439	4.7
69.07072	0.7
70.06581	1.5
70.86607	1.4
71.04630	0.6
71.04990	1.6
72.08150	0.9
79.05489	0.8
81.03411	1.9
81.07059	4.4
83.04981	1.3
84.08116	0.5
85.02435	0.8
85.02911	10.1
87.00816	1.0
87.04456	0.7
91.05474	0.7
93.03421	0.9
93.07027	0.6
95.04977	1.4
97.02914	3.5
97.06557	0.5
99.04448	1.1
105.01842	0.9
107.04956	0.8
107.08587	1.9
109.02917	2.5
109.10148	1.6
111.04456	2.6
119.04926	3.9
123.04437	52.1
123.11728	2.1
124.03963	1.7
125.04297	1.0
127.03922	4.7
133.10129	0.5
135.04385	0.7
137.05952	0.6
139.03911	100.0
139.11162	1.1
141.25041	0.5
145.04962	2.1
147.04416	12.9
149.05901	1.0
151.03912	2.8
151.11201	2.7
157.12303	1.1
159.02988	0.5
160.07582	0.7
161.06032	2.1
163.03992	2.7
165.05489	10.3
165.06892	0.6
169.05038	0.5
169.12257	6.0
179.06934	0.8
181.05013	0.8
187.13287	4.9
189.05547	1.1
205.05173	0.8
205.14375	1.0
207.06490	1.3
256.15695	0.5
273.07568	12.7
291.08624	14.3
435.12750	1.2
448.58292	0.5
453.12469	0.6
454.92856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	100.0
65.96766	0.5
69.03438	1.3
69.57981	1.8
69.58385	0.8
72.80724	0.4
81.03430	1.0
85.02888	0.8
97.02892	0.6
98.20812	0.9
98.21449	1.0
103.03982	0.4
107.44489	0.4
109.02919	0.6
112.57960	0.4
113.07743	0.4
115.05503	1.2
117.05782	0.5
127.03951	1.1
131.61838	0.4
132.08125	1.6
134.05969	0.6
143.07346	1.3
160.07599	38.0
184.07594	0.6
187.05988	0.5
202.08653	4.1
205.13394	10.6
205.15352	0.7
215.53903	0.5
217.56839	0.4
249.15819	0.4
250.09007	0.5
250.12808	0.5
288.38159	0.4
364.13968	2.0
367.18863	1.0
408.12939	1.3
409.19690	4.2
432.42014	0.5
453.13589	2.4
453.18774	35.5
454.11264	1.0
454.19202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1397
Annotation	Epicatechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.61677	0.5
51.02376	0.5
52.51642	0.4
53.03941	0.7
55.01868	1.7
55.05506	0.7
57.03446	1.0
58.06611	5.4
61.02930	1.3
65.03948	0.8
67.05502	0.9
68.99801	1.2
69.03439	3.9
69.46021	1.8
69.46444	1.5
70.06577	0.6
71.04981	0.6
73.02923	1.0
81.03400	2.3
81.07041	1.2
82.19957	0.5
83.04985	1.4
84.08122	0.6
85.02915	11.3
85.06593	0.4
85.25118	0.5
87.00816	0.5
91.05501	1.4
93.03439	1.0
93.07040	0.8
95.04963	2.0
97.02902	4.0
99.04464	0.9
101.05936	0.5
107.04975	0.8
109.02882	1.0
111.04477	2.4
115.05434	0.9
119.04980	3.3
123.04446	58.3
124.04749	0.6
127.03115	0.4
127.03919	2.7
133.06465	0.7
135.04401	1.1
137.02414	0.7
137.06027	0.9
139.03922	100.0
140.04167	0.8
143.04936	1.3
145.04988	2.3
147.04428	19.1
148.07629	1.2
151.03931	4.8
151.11185	0.5
159.11723	0.5
160.07605	7.8
161.06006	4.4
163.03922	8.5
165.05492	16.6
169.05016	2.1
169.12279	0.5
175.03926	0.7
177.05508	1.2
179.07018	2.1
181.04988	2.0
187.13316	0.5
189.05545	1.4
189.69139	0.5
193.04997	0.6
205.05034	2.5
207.06575	5.3
247.05988	1.8
249.07707	0.6
265.07205	0.9
273.07520	2.6
283.08154	1.0
291.08667	31.4
292.09192	0.9
301.09348	1.0
303.08701	0.7
315.08661	1.2
326.61731	0.4
357.09628	0.7
453.13303	0.7
453.23230	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	453.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01871	2.3
55.05517	22.2
55.20747	0.4
57.07084	2.3
58.06596	1.3
62.16732	0.4
65.03937	0.7
67.05518	2.4
67.24207	0.5
67.71473	0.5
68.99796	1.8
69.03439	1.4
69.07076	1.9
70.06603	2.4
70.18763	2.0
76.19305	0.5
79.05499	2.6
81.03416	1.2
81.07055	2.0
82.06588	5.9
83.04976	4.2
83.08627	16.8
84.08136	1.3
85.02904	1.2
85.06529	1.4
85.93578	0.5
88.19643	0.5
89.03923	1.6
91.05485	3.1
91.58133	1.0
93.03392	1.6
93.07044	1.2
95.04967	2.4
95.08635	0.6
97.02903	1.1
97.06521	0.9
98.09706	2.0
98.20746	0.6
99.04478	0.6
100.07622	6.8
100.11266	76.0
101.11594	1.0
105.03384	0.9
105.07024	1.0
107.04959	4.6
107.08630	0.7
109.02910	0.9
109.06510	0.8
109.10158	0.6
110.06076	3.5
111.04454	11.1
112.07615	2.6
115.05434	1.1
117.03398	2.2
117.13898	2.1
119.04948	6.1
120.04514	0.6
121.02859	0.6
123.04441	48.1
123.11681	0.8
125.06103	0.5
126.09165	2.2
127.03915	0.9
127.08701	1.4
128.07101	7.9
131.04942	1.3
135.04430	13.9
137.02359	25.6
137.03343	1.1
137.05965	1.6
137.47743	0.5
139.03937	2.9
139.08704	2.5
140.07076	3.7
141.11481	4.5
143.04924	2.2
145.02866	3.1
145.10164	0.5
147.04424	18.2
149.05952	1.1
151.03938	1.2
151.07518	0.8
153.01872	1.1
153.05510	0.9
155.11307	0.7
159.04459	1.0
160.07649	0.5
161.02289	0.8
161.06024	6.1
163.03918	29.5
163.64410	2.1
164.14429	1.1
165.01874	3.2
165.05489	13.1
165.09050	0.5
166.15970	0.8
169.12192	0.6
171.04459	0.9
173.05968	0.5
175.03975	1.5
177.05493	1.7
179.03450	2.9
179.07007	2.5
182.15417	30.6
183.02910	0.8
183.15677	0.6
185.05876	1.1
187.03955	1.7
189.01849	1.0
189.05519	2.1
191.03412	100.0
192.03929	1.0
192.13821	1.0
195.02948	0.8
199.18079	2.4
203.03436	6.3
205.04958	3.0
207.02930	0.9
207.06519	8.4
209.16510	17.3
210.14917	31.3
211.15161	0.7
213.05508	1.9
213.17761	5.1
215.03391	0.6
217.04982	1.1
218.66299	0.6
221.04468	4.5
226.19127	5.2
227.17578	6.5
228.16034	3.3
229.04990	1.0
233.04492	2.0
233.48036	0.5
241.05038	1.3
247.06049	1.9
259.06024	7.3
271.06021	4.7
276.72827	7.1
277.22986	1.2
283.05994	0.7
285.24036	0.6
287.05640	0.5
289.07037	1.1
291.08737	0.7
301.07098	26.8
307.05841	0.6
308.27054	0.5
309.21588	0.5
313.07086	11.6
317.06628	4.8
317.10110	0.9
325.07233	1.2
326.28009	4.4
331.25464	1.3
331.74777	1.2
336.22812	3.1
337.21204	3.0
339.76822	1.7
340.25909	5.0
340.75711	0.5
343.08154	42.1
343.30746	9.3
344.08475	0.7
344.31012	0.8
380.80704	1.7
389.81216	23.9
390.31342	2.0
393.09811	1.4
394.78586	1.0
398.32721	1.0
411.10840	6.9
435.10703	3.6
435.33371	2.8
444.33859	17.3
444.84033	1.7
452.36087	3.8
453.12030	4.0
453.17331	0.7
453.34390	29.9
453.84628	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	452.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21302	2.1
53.03941	2.2
53.49113	1.9
55.05523	12.2
57.03440	4.3
57.07070	3.1
67.05508	28.6
69.07075	17.5
74.48544	1.8
79.05478	8.4
79.16942	1.9
81.07064	32.9
83.08614	7.4
89.06008	4.1
91.05458	5.1
93.07056	11.7
95.08614	26.6
97.06534	3.9
97.10139	3.5
98.98476	25.4
105.07033	5.6
107.08604	5.4
109.10149	13.4
119.08542	3.5
121.10153	4.5
123.11728	2.5
135.11723	2.0
137.09583	2.1
137.13264	2.9
147.11627	3.9
151.14857	2.5
155.01025	14.0
173.02103	3.2
239.14886	2.4
245.22667	5.8
263.23734	14.1
337.27380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	72.7
57.03438	1.0
61.02905	1.2
62.34473	0.7
69.03413	1.8
70.06573	2.3
70.27349	1.6
70.27724	2.9
71.95250	1.6
72.96044	1.1
73.02903	1.1
74.49300	0.9
74.97610	1.7
75.45268	0.7
84.08159	3.9
84.24608	0.8
84.96032	4.3
85.02920	5.3
87.04471	0.8
87.75042	0.7
89.03920	3.8
94.64739	0.7
96.19686	0.9
97.02877	3.8
98.06049	0.8
98.97594	29.2
101.00878	0.9
107.04989	1.6
109.02872	1.1
110.97569	6.1
112.99149	5.6
115.00710	0.9
116.07052	2.2
116.98643	13.1
117.03383	5.2
119.01910	2.5
123.01205	0.9
124.99124	9.8
127.00679	3.0
127.03934	2.1
128.98630	6.6
130.08624	1.4
131.00194	6.5
131.01855	1.1
133.01733	1.0
134.99655	2.0
135.04437	7.1
136.06100	1.2
139.00694	1.7
140.98581	1.6
141.02234	10.0
142.99069	1.4
143.00179	23.0
143.01898	1.6
145.01729	2.4
145.02866	4.9
145.04987	1.5
146.99683	4.7
149.01212	3.3
151.00673	2.5
152.05692	3.0
152.98563	1.0
155.01926	1.3
157.01721	2.2
158.99677	4.5
159.03325	11.6
161.01227	19.5
161.02690	1.5
163.02568	1.4
163.03926	27.3
165.00775	1.7
167.00195	6.3
169.01747	9.5
170.99667	6.0
171.04973	1.0
172.97646	1.0
172.99173	1.2
173.01346	0.9
173.02943	2.2
173.06741	0.8
174.99187	1.8
175.00638	9.8
175.02873	1.1
176.98535	1.3
177.00735	3.1
177.04327	2.6
179.02266	2.5
181.01794	0.9
182.03323	1.0
182.99548	1.1
185.01265	15.6
185.02870	1.6
186.99194	3.6
187.01247	1.3
187.02814	13.8
189.00706	7.8
190.98672	1.0
191.00183	3.7
191.01950	0.9
193.00266	1.1
193.01762	14.9
194.99681	4.5
197.01221	2.0
200.98625	1.7
201.00671	1.9
203.02298	18.7
203.04088	2.0
204.98277	1.3
205.00221	4.7
205.03842	3.7
206.99693	4.1
207.01695	1.8
209.01254	10.9
211.02803	11.9
213.00739	17.1
216.98694	3.2
218.99695	10.2
219.01796	6.0
221.03340	8.8
221.05197	1.5
225.00777	2.3
226.04027	0.9
227.02327	3.4
228.98727	1.7
229.03822	3.4
230.98289	1.2
231.01784	29.0
234.99672	1.2
237.00745	34.3
237.02881	6.0
245.05096	4.9
247.01440	1.0
248.98975	1.1
249.02863	17.7
251.00522	1.1
255.01797	100.0
256.02118	1.2
258.99850	1.0
261.02811	2.0
261.08185	1.1
267.03946	1.4
269.03391	1.0
270.99789	1.7
272.06686	1.7
273.02838	89.0
274.03073	1.2
278.03311	2.4
279.03824	2.7
279.09338	1.6
281.07175	2.0
281.57211	1.3
283.06549	1.4
291.00739	1.5
291.03983	3.5
296.04617	1.5
297.02954	1.0
305.03336	2.8
307.04926	1.3
321.04874	1.0
323.04373	6.8
331.04907	2.5
333.02594	1.7
341.05396	1.5
345.03140	1.1
347.04324	2.8
349.02197	2.6
349.05988	5.0
357.03003	2.1
363.03442	1.1
365.05402	4.5
367.03241	7.8
367.07147	1.5
369.04672	1.2
375.03842	8.6
392.99747	1.1
393.04996	27.4
393.11642	4.0
411.06024	55.4
415.08969	1.2
429.07120	38.5
430.07455	1.0
434.07755	2.3
453.07111	19.9
453.13412	3.8
471.07333	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	452.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
53.32818	2.0
55.01867	7.0
55.05513	4.2
55.60847	2.0
56.67009	1.9
57.03435	9.1
58.45694	1.9
61.02932	4.4
67.05500	8.7
68.99822	2.2
69.03434	19.7
69.07074	3.3
70.06609	3.9
70.84655	6.2
71.05001	30.5
72.05334	8.4
73.02917	5.7
73.05409	2.7
79.05509	4.9
81.03429	21.0
81.07067	32.7
83.04974	3.8
85.02914	69.2
85.03442	3.3
85.06583	1.8
86.03252	8.7
87.00842	17.0
87.03323	4.0
91.05484	5.1
93.07081	10.3
95.04982	14.7
95.08622	20.7
97.02898	33.0
97.06553	3.6
99.04477	15.8
99.08106	2.7
99.85246	2.0
105.01865	23.4
105.07034	7.4
107.04989	2.7
107.08615	6.6
109.02890	22.2
109.06533	3.0
109.10178	12.0
111.08100	8.3
113.06001	4.3
117.01861	3.4
121.06555	2.2
121.10118	4.7
123.04441	2.9
123.11703	24.8
127.03935	36.5
131.08572	2.0
133.10141	6.9
135.11673	3.0
137.05972	5.6
141.12712	2.5
145.04936	16.2
145.10144	2.1
149.09595	2.7
151.11191	26.8
153.01924	2.0
159.02878	10.1
161.09625	2.5
163.11241	3.2
166.60634	2.1
169.12256	100.0
174.06093	1.9
177.86707	2.1
181.12227	3.7
187.10880	2.1
187.13261	10.7
193.12292	7.7
213.03937	3.6
231.05052	9.2
231.13751	2.4
233.80788	2.5
235.13364	5.7
241.12323	3.3
247.86041	2.1
259.13297	8.6
277.14383	8.4
303.05014	8.7
304.05325	26.5
305.05569	30.8
306.05872	45.6
363.14240	3.0
381.15460	4.6
399.16507	4.2
417.17706	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	452.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01864	3.8
55.05509	2.0
57.03438	2.4
61.02924	1.8
67.05514	6.8
68.99786	1.2
69.03434	26.3
69.07076	24.6
69.32113	8.4
69.69093	1.0
70.06592	2.3
71.05004	7.6
73.02921	2.1
79.05512	1.9
81.03428	13.6
81.07069	11.4
83.01369	1.1
85.02913	31.6
85.06542	1.7
87.00840	13.5
91.05478	1.2
93.07047	3.6
95.04995	1.6
95.08618	4.5
97.02908	15.2
99.04462	8.6
99.08092	1.2
105.01875	14.2
105.07007	2.9
107.08610	8.8
109.02891	22.5
109.06516	1.8
109.10168	62.4
111.08090	2.5
113.05984	2.9
117.01794	1.4
120.08086	1.1
121.10132	2.0
123.11713	11.3
125.09647	54.4
127.03928	36.5
129.01854	1.9
133.10129	4.8
145.04959	5.7
151.11200	18.0
159.02904	4.9
169.12260	100.0
187.13319	42.5
189.03949	1.0
213.03941	8.7
231.05009	11.2
237.18459	1.3
249.05966	1.8
288.05826	2.5
289.06097	1.8
290.06332	1.1
295.15549	2.4
381.15454	4.8
399.16348	2.8
452.20193	1.1
468.27289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.01878	1.3
55.05519	0.7
57.03446	0.7
57.07101	0.7
59.05012	0.7
59.81834	0.6
61.02925	0.6
61.37683	0.6
65.03938	0.7
67.05512	2.0
68.99801	0.8
69.03436	3.3
69.07070	3.0
70.06596	1.4
70.96482	1.4
71.04998	11.7
73.02934	0.8
79.05502	15.4
79.05970	0.7
79.99729	0.6
81.03425	3.3
81.07064	90.7
83.04995	6.4
84.08147	0.9
85.02916	8.7
85.06542	1.2
87.00828	3.8
87.04507	0.6
89.06010	0.8
91.03979	0.7
91.05502	1.4
93.07059	2.2
95.04982	1.5
95.08624	1.5
97.02893	3.0
97.06544	1.8
99.04467	2.4
105.01868	3.2
105.07039	1.6
107.08595	1.6
109.02859	3.7
109.06541	0.8
109.10179	5.2
111.08089	0.9
121.10141	1.0
123.11706	8.2
127.03918	5.9
127.11219	0.9
131.08611	1.0
133.10135	1.9
139.11194	1.7
141.12747	0.6
145.04970	2.5
151.11206	8.6
154.05042	0.7
157.12271	1.0
159.02884	1.0
161.06070	0.8
169.12257	100.0
170.06880	1.1
187.07584	0.7
187.13312	11.2
198.06374	1.0
200.04767	1.1
201.05029	1.4
215.07037	2.3
216.07433	3.4
231.05009	1.9
237.18367	1.2
259.09732	2.9
260.10004	6.2
297.39636	0.7
343.70456	0.7
390.13712	0.6
397.76035	0.6
417.17471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
54.29667	0.7
55.01883	4.3
55.05516	1.9
57.03425	3.4
57.07090	1.3
59.05008	10.9
61.02919	2.8
64.14815	0.9
66.26737	0.9
67.05521	4.0
68.99789	2.3
69.03436	23.8
69.07065	3.2
69.84566	3.5
71.05003	12.5
73.02927	4.3
79.05495	4.1
81.03426	16.4
81.07062	26.0
83.04983	2.5
83.08633	1.9
84.11500	0.7
85.02913	43.5
85.06543	3.4
87.00838	17.3
87.04469	6.6
91.03952	1.6
91.05486	1.8
93.07058	2.9
95.04994	1.8
95.08630	1.7
97.02892	15.9
97.06542	10.6
98.21476	1.1
99.04456	9.4
99.08070	1.0
105.01886	13.0
105.07040	2.0
107.08591	8.4
109.02895	17.7
109.06521	3.4
109.10164	11.5
111.08102	2.3
111.11718	1.0
113.05997	1.0
117.01820	2.3
121.10135	2.4
123.08065	1.1
123.11729	13.9
127.03935	33.5
127.11202	1.6
129.01822	1.5
133.10141	3.5
138.02632	1.2
139.11148	5.1
143.10670	1.8
145.04974	16.7
146.26170	0.9
147.02849	1.8
151.09955	1.7
151.11197	26.6
153.12778	0.9
157.12271	3.8
159.02898	10.2
169.12253	100.0
170.12685	1.1
187.13309	28.7
193.12325	1.4
213.03922	1.2
215.06940	1.4
231.05043	8.1
249.06073	1.7
259.09689	1.8
260.10083	1.6
274.06927	0.9
290.10382	1.2
299.05411	1.2
300.05865	5.1
301.06223	5.9
302.06345	6.8
303.07199	4.2
314.06503	1.8
316.08081	1.6
329.06717	0.8
330.07108	5.4
330.10254	1.0
331.07031	3.8
332.07477	10.3
340.08969	0.9
342.09616	1.9
356.07483	3.6
381.15472	1.0
386.08371	2.1
398.08594	2.2
416.09546	5.5
432.10159	1.4
434.10648	9.7
452.11688	20.1
452.21362	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	451.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.3
57.07083	20.0
58.44419	1.8
64.75650	1.5
67.05499	3.7
69.07053	3.8
71.07529	3.3
71.08638	16.1
73.87440	1.7
81.07053	10.3
83.08602	3.9
85.10180	9.5
89.06046	2.6
95.08634	8.2
97.10172	4.2
105.03403	10.2
105.26804	1.9
109.10176	3.9
111.11761	2.8
115.05397	1.8
119.87799	1.7
123.11750	3.1
128.06250	4.8
129.07014	4.8
131.08591	8.8
133.02852	3.7
141.07018	2.4
143.08600	4.0
144.05711	1.7
147.04445	4.2
153.06976	2.1
157.06529	6.0
159.08080	10.2
161.05988	2.4
165.07039	2.3
166.07922	1.9
167.08549	5.0
171.08044	14.1
173.06061	2.1
179.08591	2.7
181.06479	3.6
181.10179	5.1
185.09645	19.3
187.07556	100.0
194.07289	2.6
195.08159	3.6
195.11691	2.9
196.08818	2.5
197.09633	11.1
198.06813	3.5
199.07585	15.2
199.11214	2.3
201.09023	2.4
205.10239	2.0
208.08849	5.7
209.09610	7.1
211.11118	7.7
212.08438	2.1
213.09148	13.0
223.11299	8.6
225.09122	3.1
225.12752	7.9
226.09972	2.6
227.10730	8.7
237.12823	4.0
239.14481	2.8
241.12260	8.0
251.14195	2.1
325.21640	2.5
393.31400	1.9
433.34592	8.3
451.35767	87.8
452.36035	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	452.119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48008	0.2
53.03947	0.3
57.03439	0.2
58.06602	0.6
61.02941	0.3
65.80669	0.2
69.03426	1.6
70.06587	0.8
71.38611	0.2
71.53154	0.3
71.53536	0.3
72.08164	0.3
74.07542	0.2
80.05020	0.4
80.21719	0.2
81.03417	0.5
83.01349	0.2
83.04999	0.2
84.08138	0.3
85.02911	1.9
91.05476	0.6
92.05006	6.2
97.02868	0.5
99.04469	0.5
105.07019	0.3
108.04498	1.9
108.05186	0.3
109.02854	0.5
120.08119	0.5
123.04422	0.4
127.03928	1.2
133.10161	0.4
136.03935	6.2
137.02348	0.5
137.05981	0.7
139.03920	0.4
140.03426	0.8
145.04973	0.3
147.04446	0.5
151.11263	0.3
154.04994	100.0
155.05353	0.6
160.07611	0.5
163.03937	0.2
167.07103	0.3
175.18060	0.2
179.07030	0.3
210.05699	0.2
217.93823	0.2
218.66599	0.2
226.07185	0.3
227.03127	0.2
254.12177	0.3
256.06421	0.4
272.13153	0.3
280.08167	26.3
281.08658	0.3
298.09219	5.2
337.90546	0.2
383.08820	0.2
398.49393	0.2
434.10748	0.3
452.11798	2.5
453.17752	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77392	0.5
55.01857	0.6
55.05497	0.6
58.99831	1.4
59.49978	0.5
67.05484	1.2
69.07067	0.8
70.92657	1.3
77.00916	6.1
79.05470	0.7
81.03426	0.6
81.07028	1.6
85.02856	0.5
90.36053	0.5
91.05492	0.8
93.07021	1.1
95.01961	4.1
95.08595	1.5
97.06530	3.0
98.20787	0.5
107.08549	0.5
107.50366	0.5
109.10116	0.7
119.08580	0.9
123.11734	0.8
135.04442	0.5
163.03842	1.8
172.89900	0.4
183.12401	0.5
191.12865	0.9
207.12329	0.7
208.40273	0.5
209.13786	0.6
211.15408	1.8
213.09744	0.6
215.06993	1.2
217.10721	1.2
219.12265	7.8
225.13364	4.6
228.87682	0.5
231.10837	0.6
233.10294	1.0
235.11824	2.0
237.13368	77.3
238.13557	1.1
243.14442	16.2
253.12802	1.7
255.14432	100.0
256.14700	1.3
259.09760	3.8
260.15012	5.0
261.15433	2.0
266.15961	0.9
273.15509	8.8
278.16061	9.6
296.17087	0.6
331.22638	0.6
359.21924	0.6
375.51517	0.5
451.29095	51.0
452.29388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.1
55.01876	13.7
55.05514	17.9
57.03437	11.7
57.07065	7.1
57.30643	1.9
61.02930	6.9
63.84949	2.6
65.03938	2.4
67.05506	28.5
68.99788	9.5
69.03433	59.6
69.07073	22.4
69.29101	14.2
69.29519	4.4
69.37324	2.4
70.06577	2.7
71.01363	3.2
71.04996	27.1
73.02909	6.7
79.05511	22.0
81.03428	40.5
81.07063	48.1
81.51342	2.2
83.04980	12.8
83.08617	7.8
85.02912	49.7
85.06559	3.7
85.89638	2.2
87.00838	31.4
87.04465	3.7
91.03970	2.3
91.05486	25.2
93.07055	36.7
95.04966	13.3
95.08617	58.1
97.02901	26.9
97.06540	45.5
97.10148	4.3
99.04464	13.5
103.03948	8.1
105.01865	12.0
105.07044	58.3
105.52404	2.2
107.04958	10.6
107.08605	43.5
109.02879	20.5
109.06540	9.1
109.10165	36.4
111.04462	14.5
111.08107	4.1
111.11747	3.3
115.03939	9.2
115.05450	3.2
117.01815	3.7
117.03349	2.4
117.07026	14.0
118.92284	2.2
119.04971	4.2
119.08595	58.8
121.06516	8.0
121.10151	33.8
123.04443	6.1
123.08067	5.7
123.11739	16.1
125.09641	3.6
127.03928	24.6
127.07544	3.9
127.11180	11.1
128.06244	6.2
129.01855	8.8
129.07011	10.2
130.07787	3.7
131.08575	33.9
133.06491	6.1
133.10146	38.7
134.06032	22.4
135.04416	8.2
135.06355	14.1
135.08069	7.5
135.11711	14.8
137.05988	11.9
137.09612	8.6
137.13239	3.2
139.03888	3.5
139.11195	3.8
141.07024	4.8
142.07779	9.6
143.08559	18.1
144.09358	4.3
145.04988	6.1
145.06488	4.9
145.10129	48.4
146.10918	2.4
147.04347	2.7
147.08055	8.5
147.11694	32.6
149.09590	4.6
149.13287	9.7
153.05443	3.6
155.08574	9.9
156.09314	11.1
157.06451	3.1
157.10127	35.5
158.10904	6.1
159.02966	11.3
159.04198	2.1
159.08043	8.4
159.11699	52.1
161.02373	7.9
161.09645	4.0
161.13225	15.3
163.03908	18.2
163.07610	4.0
163.11235	5.0
163.14899	3.4
165.09117	3.0
167.07149	3.5
167.08562	4.5
168.09418	4.3
169.10120	13.4
171.02960	3.3
171.08139	7.0
171.11703	26.0
172.12497	3.3
173.02362	13.1
173.09648	8.7
173.13248	20.5
175.11191	12.0
175.14861	11.5
177.12741	4.7
177.16409	4.1
179.08557	3.0
179.10718	2.3
180.09335	2.5
181.10100	9.5
182.10933	2.9
183.11719	13.1
185.09657	6.4
185.13283	11.5
186.14066	3.4
187.11218	8.4
187.14833	23.2
189.03947	8.2
189.09044	3.6
189.12787	7.6
189.16399	38.2
191.10629	3.1
191.14400	2.3
193.10257	3.3
195.11711	8.4
197.09665	3.9
197.13300	11.4
199.14862	9.9
201.03931	8.4
201.12808	7.0
201.16350	26.4
203.10793	3.6
203.18015	16.7
207.11734	6.2
209.13336	6.8
211.14796	3.7
213.12892	3.2
213.16367	12.0
215.07103	20.5
215.14355	2.3
215.17993	13.5
217.15999	2.7
219.13806	4.1
219.17496	5.3
221.19136	2.9
223.14836	5.6
225.12819	13.2
225.16432	9.5
227.14380	5.1
227.17970	8.4
229.15958	3.0
231.04961	3.8
231.14011	2.7
231.17517	9.1
233.19072	7.7
239.14351	3.7
239.17967	3.4
241.12221	4.3
241.15871	8.3
243.13846	9.8
243.17494	7.9
245.19061	9.0
253.15993	3.3
257.19028	5.4
259.09717	59.2
259.16995	5.6
261.18494	8.4
269.19061	3.7
283.20590	2.8
287.20013	4.7
293.19025	11.3
299.05536	3.2
311.20062	23.8
329.21057	16.4
347.14990	3.1
347.22327	8.4
365.22986	5.1
407.24387	4.9
415.21225	18.6
433.22278	21.8
451.23315	100.0
451.29614	4.9
452.23230	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	451.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.1
55.01876	13.7
55.05514	17.9
57.03437	11.7
57.07065	7.1
57.30643	1.9
61.02930	6.9
63.84949	2.6
65.03938	2.4
67.05506	28.5
68.99788	9.5
69.03433	59.6
69.07073	22.4
69.29101	14.2
69.29519	4.4
69.37324	2.4
70.06577	2.7
71.01363	3.2
71.04996	27.1
73.02909	6.7
79.05511	22.0
81.03428	40.5
81.07063	48.1
81.51342	2.2
83.04980	12.8
83.08617	7.8
85.02912	49.7
85.06559	3.7
85.89638	2.2
87.00838	31.4
87.04465	3.7
91.03970	2.3
91.05486	25.2
93.07055	36.7
95.04966	13.3
95.08617	58.1
97.02901	26.9
97.06540	45.5
97.10148	4.3
99.04464	13.5
103.03948	8.1
105.01865	12.0
105.07044	58.3
105.52404	2.2
107.04958	10.6
107.08605	43.5
109.02879	20.5
109.06540	9.1
109.10165	36.4
111.04462	14.5
111.08107	4.1
111.11747	3.3
115.03939	9.2
115.05450	3.2
117.01815	3.7
117.03349	2.4
117.07026	14.0
118.92284	2.2
119.04971	4.2
119.08595	58.8
121.06516	8.0
121.10151	33.8
123.04443	6.1
123.08067	5.7
123.11739	16.1
125.09641	3.6
127.03928	24.6
127.07544	3.9
127.11180	11.1
128.06244	6.2
129.01855	8.8
129.07011	10.2
130.07787	3.7
131.08575	33.9
133.06491	6.1
133.10146	38.7
134.06032	22.4
135.04416	8.2
135.06355	14.1
135.08069	7.5
135.11711	14.8
137.05988	11.9
137.09612	8.6
137.13239	3.2
139.03888	3.5
139.11195	3.8
141.07024	4.8
142.07779	9.6
143.08559	18.1
144.09358	4.3
145.04988	6.1
145.06488	4.9
145.10129	48.4
146.10918	2.4
147.04347	2.7
147.08055	8.5
147.11694	32.6
149.09590	4.6
149.13287	9.7
153.05443	3.6
155.08574	9.9
156.09314	11.1
157.06451	3.1
157.10127	35.5
158.10904	6.1
159.02966	11.3
159.04198	2.1
159.08043	8.4
159.11699	52.1
161.02373	7.9
161.09645	4.0
161.13225	15.3
163.03908	18.2
163.07610	4.0
163.11235	5.0
163.14899	3.4
165.09117	3.0
167.07149	3.5
167.08562	4.5
168.09418	4.3
169.10120	13.4
171.02960	3.3
171.08139	7.0
171.11703	26.0
172.12497	3.3
173.02362	13.1
173.09648	8.7
173.13248	20.5
175.11191	12.0
175.14861	11.5
177.12741	4.7
177.16409	4.1
179.08557	3.0
179.10718	2.3
180.09335	2.5
181.10100	9.5
182.10933	2.9
183.11719	13.1
185.09657	6.4
185.13283	11.5
186.14066	3.4
187.11218	8.4
187.14833	23.2
189.03947	8.2
189.09044	3.6
189.12787	7.6
189.16399	38.2
191.10629	3.1
191.14400	2.3
193.10257	3.3
195.11711	8.4
197.09665	3.9
197.13300	11.4
199.14862	9.9
201.03931	8.4
201.12808	7.0
201.16350	26.4
203.10793	3.6
203.18015	16.7
207.11734	6.2
209.13336	6.8
211.14796	3.7
213.12892	3.2
213.16367	12.0
215.07103	20.5
215.14355	2.3
215.17993	13.5
217.15999	2.7
219.13806	4.1
219.17496	5.3
221.19136	2.9
223.14836	5.6
225.12819	13.2
225.16432	9.5
227.14380	5.1
227.17970	8.4
229.15958	3.0
231.04961	3.8
231.14011	2.7
231.17517	9.1
233.19072	7.7
239.14351	3.7
239.17967	3.4
241.12221	4.3
241.15871	8.3
243.13846	9.8
243.17494	7.9
245.19061	9.0
253.15993	3.3
257.19028	5.4
259.09717	59.2
259.16995	5.6
261.18494	8.4
269.19061	3.7
283.20590	2.8
287.20013	4.7
293.19025	11.3
299.05536	3.2
311.20062	23.8
329.21057	16.4
347.14990	3.1
347.22327	8.4
365.22986	5.1
407.24387	4.9
415.21225	18.6
433.22278	21.8
451.23315	100.0
451.29614	4.9
452.23230	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	451.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51041	0.7
55.01879	2.9
55.05497	2.2
55.08017	0.7
57.03423	2.1
59.53888	0.8
60.17775	0.8
65.03964	1.2
67.01054	0.8
67.05502	2.2
69.03454	1.3
69.07075	5.2
69.27325	6.7
69.27732	1.3
70.06599	7.0
71.04723	0.8
71.05003	8.9
72.05338	1.8
72.08157	1.4
79.05505	4.4
81.07028	1.7
83.04989	2.5
84.08145	7.3
85.02910	11.7
86.03251	2.4
87.94471	0.8
89.03915	1.7
91.05486	2.3
93.07057	1.4
95.04972	1.7
95.08674	1.0
97.02859	1.2
97.06540	42.0
98.21584	1.4
105.07030	1.2
107.04977	1.4
107.08577	1.4
108.04504	1.3
108.57003	0.8
111.04459	1.6
115.05478	1.8
117.03384	2.8
119.04943	1.5
120.08098	0.8
121.02870	0.8
123.04454	1.6
127.03934	1.0
129.05551	1.6
131.04918	1.6
131.08598	1.7
133.02878	2.5
135.04440	4.9
137.02345	1.4
137.05989	2.1
139.03941	5.1
139.96835	0.8
141.06993	3.3
143.04977	1.8
145.02864	2.7
147.04422	3.0
151.07512	1.5
153.01843	8.2
154.02132	1.6
159.04439	8.6
161.02354	9.9
161.06004	3.6
163.03912	23.1
167.08614	2.6
169.06491	4.5
171.02814	0.9
173.02353	12.3
173.05963	1.5
175.03946	5.5
185.05981	2.3
185.09702	1.2
187.03883	1.7
187.07515	5.4
189.01874	3.2
189.05464	13.1
193.05009	1.8
195.08022	4.3
197.05981	9.0
207.02927	5.4
213.09135	3.9
215.07042	63.3
223.07521	1.9
229.04858	0.9
229.08551	1.6
230.08939	1.1
231.10060	2.8
233.08174	1.2
241.08607	4.3
259.09680	100.0
287.05637	4.2
288.05948	4.9
289.06519	13.0
289.10745	1.6
301.05905	1.4
303.05014	9.8
304.05356	12.4
305.05557	23.9
329.06702	0.9
331.07104	1.2
355.07147	1.5
407.20502	1.4
415.09833	1.2
451.17004	1.0
451.22406	0.9
452.22900	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.8
56.18781	4.1
57.07078	9.3
59.87749	4.5
70.06599	15.3
71.03493	8.8
72.08178	6.5
75.57704	3.8
79.05502	9.1
81.07073	7.9
88.07643	14.0
91.05507	11.1
93.07052	30.9
98.09720	7.1
102.09195	13.9
105.07031	22.8
105.94256	3.9
107.08615	41.1
109.10168	5.5
111.74396	4.9
125.78332	4.2
133.06509	22.5
135.11711	23.9
147.04514	8.9
149.02368	52.5
149.03467	9.0
161.06010	36.2
167.07036	8.4
182.09340	6.3
193.05029	64.8
193.08640	47.3
210.08809	6.1
211.09747	4.9
278.64026	8.5
284.29520	39.7
288.05853	9.1
395.31522	5.1
450.25623	9.2
450.32233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
56.60136	0.7
57.03434	1.7
65.03931	3.4
68.99798	7.7
71.21766	0.8
71.22092	1.3
72.08159	0.9
81.03419	1.4
83.04998	1.0
85.02900	5.4
86.09731	0.8
91.05486	1.3
94.20397	0.7
95.01292	0.8
95.04974	2.6
97.02895	1.2
97.06537	2.2
103.04009	1.0
109.02898	1.3
111.00786	0.8
111.04465	1.2
119.04967	2.2
121.02874	100.0
123.04411	4.6
127.03944	1.1
136.07533	0.7
137.05995	1.7
139.03928	3.9
145.63533	0.7
147.04393	2.3
149.02356	1.1
149.06029	1.0
151.03902	5.0
153.01840	10.0
159.08130	1.2
161.05975	1.0
163.03908	27.9
163.05255	1.4
165.01845	12.2
165.05493	1.1
169.05006	1.8
169.06541	3.2
175.03979	1.7
177.01854	8.2
177.05559	1.1
179.03468	1.0
181.04906	1.0
183.02934	3.1
187.03880	0.9
187.07544	2.5
189.01939	1.2
189.05432	1.0
191.03389	9.2
193.04971	5.1
195.02898	17.9
197.05959	2.5
200.04712	3.1
203.03403	0.7
205.04982	8.9
207.02731	1.2
215.03433	0.9
215.07004	8.9
217.05043	3.0
219.02928	17.0
231.02925	4.0
232.91235	0.7
235.05983	3.8
243.02908	0.8
247.06143	1.1
249.03963	5.9
253.07167	1.9
259.09695	12.5
261.03952	8.4
279.04956	5.3
283.06030	9.5
289.07047	1.2
295.06046	5.8
297.06064	12.7
299.05545	1.2
301.06473	2.8
313.07077	13.7
313.87833	0.9
315.06677	0.8
331.07742	2.4
337.07123	2.2
355.08017	5.7
367.08136	8.2
379.08032	2.6
385.08115	1.1
390.89694	0.7
397.09113	5.4
415.10226	7.1
433.11322	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	450.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
55.01867	2.0
55.05513	4.5
57.03432	5.6
58.06630	2.2
60.08160	2.5
67.05511	4.2
69.03433	17.0
69.07062	3.8
70.06582	6.8
70.10307	4.5
70.10712	6.7
71.05000	11.0
72.05338	2.4
72.08176	4.7
74.01353	1.8
75.04483	3.4
79.05502	22.1
81.03431	12.0
81.07064	18.7
83.04996	2.4
85.02911	14.7
86.00643	2.9
86.09733	11.2
87.00836	3.0
91.05495	16.4
93.07056	98.3
95.04985	3.3
95.08619	6.4
97.02910	11.3
97.06559	2.4
98.06069	2.1
99.04452	3.4
102.03745	2.2
105.01881	2.6
105.07030	8.2
106.06591	2.2
107.08617	27.7
109.02888	9.9
109.10102	2.4
111.04457	2.7
111.08090	6.6
111.15247	1.7
117.07010	2.6
119.04935	2.5
119.08590	15.7
121.10159	100.0
123.08087	2.2
123.11701	5.3
125.00013	7.9
127.03925	7.8
128.05333	12.3
128.06172	2.5
129.05537	2.1
131.08598	9.0
133.10150	4.8
135.06369	2.4
135.11707	11.5
136.54970	1.9
137.05934	2.1
139.11197	6.9
145.04964	5.5
145.10092	2.8
147.04440	8.6
148.04712	3.5
149.09642	43.2
151.03911	5.0
153.12767	63.7
167.10692	37.5
174.05859	7.9
177.05309	1.9
184.07379	37.5
185.11737	10.1
189.09067	2.3
195.06830	2.2
222.23283	2.0
245.08141	2.4
253.17963	5.2
259.09805	2.9
287.05551	4.0
288.05936	9.6
293.10980	2.0
293.13733	10.0
303.05081	4.2
304.05338	8.6
311.14932	31.0
404.15338	23.1
450.15878	15.4
450.21854	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	450.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.8
56.18781	4.1
57.07078	9.3
59.87749	4.5
70.06599	15.3
71.03493	8.8
72.08178	6.5
75.57704	3.8
79.05502	9.1
81.07073	7.9
88.07643	14.0
91.05507	11.1
93.07052	30.9
98.09720	7.1
102.09195	13.9
105.07031	22.8
105.94256	3.9
107.08615	41.1
109.10168	5.5
111.74396	4.9
125.78332	4.2
133.06509	22.5
135.11711	23.9
147.04514	8.9
149.02368	52.5
149.03467	9.0
161.06010	36.2
167.07036	8.4
182.09340	6.3
193.05029	64.8
193.08640	47.3
210.08809	6.1
211.09747	4.9
278.64026	8.5
284.29520	39.7
288.05853	9.1
395.31522	5.1
450.25623	9.2
450.32233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.05515	14.8
57.03442	12.3
57.07072	4.6
67.05509	35.5
69.07072	17.5
69.81863	5.0
69.82291	1.8
71.08650	2.1
79.05502	9.8
81.07062	31.4
83.04993	1.2
83.08627	7.6
85.60879	1.0
91.05472	4.8
93.07043	10.0
95.08611	30.6
97.06557	2.1
97.10184	5.7
98.20798	1.7
103.61566	1.1
105.07033	5.2
107.08595	4.2
109.10159	12.6
113.00022	66.7
119.08555	2.7
121.10115	5.7
123.11687	3.9
125.09588	1.4
133.10112	4.2
135.11676	2.2
136.99976	1.1
137.13275	2.4
147.11687	2.2
149.13220	1.2
149.68605	1.2
161.13312	2.8
163.14850	1.5
169.02623	42.3
187.03738	6.6
245.22716	3.6
245.60138	1.1
263.23856	6.1
287.05545	2.3
337.27377	100.0
338.27655	1.9
351.29172	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74208	2.0
56.47709	1.9
57.03445	20.7
57.43618	2.3
59.04993	6.7
60.04531	2.9
61.02927	2.2
69.03436	73.4
69.68096	4.7
69.68508	5.7
70.06603	4.6
73.02917	3.1
81.03413	3.7
84.08155	4.5
85.02913	68.3
87.04482	49.4
91.05478	3.7
91.84912	2.0
97.02297	4.2
97.02900	59.6
99.04433	3.4
103.04001	2.5
107.05032	2.8
107.08573	2.7
109.02892	3.2
110.45775	2.3
115.03942	82.0
117.07021	4.1
121.06521	39.7
123.90227	1.7
124.07592	6.2
127.03924	13.4
133.04980	100.0
145.05011	16.1
145.06493	33.5
150.07623	18.2
151.07562	2.8
154.04964	2.5
157.06477	2.4
159.08032	3.9
163.06038	6.2
163.07564	17.0
166.08626	2.0
171.07990	2.1
175.07561	15.1
181.08597	3.2
187.07599	17.3
189.09106	3.4
205.08661	14.8
217.08612	22.7
229.08559	5.9
235.09677	8.1
247.09789	4.7
259.08243	5.4
265.10751	5.6
277.09256	2.9
295.10217	4.0
300.05624	2.5
300.79663	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	449.1083
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
50.04637	0.2
58.06593	0.2
60.35662	0.2
68.99773	0.3
70.62228	0.4
78.03468	0.2
81.03408	0.2
84.84104	0.1
93.91350	0.1
106.02922	0.5
107.04922	0.2
110.88800	0.1
111.00803	0.2
121.02914	0.4
123.04400	0.2
124.03969	0.6
137.02371	2.1
137.03392	0.2
139.56964	0.1
147.04434	0.2
149.02365	0.4
157.06502	0.3
161.06018	0.2
163.03899	0.3
165.01842	0.3
171.04422	0.3
175.03876	0.3
185.05960	0.7
189.05496	0.4
192.33260	0.1
195.59045	0.1
213.05484	1.8
216.04138	0.3
221.54597	0.1
231.06552	0.8
239.85603	0.1
241.04921	1.1
259.06131	0.3
268.08228	0.4
269.04510	0.4
287.05524	100.0
288.05872	1.4
449.10687	2.3
449.15805	0.3
449.20728	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	0.7
55.05500	1.3
55.81317	0.7
58.06586	1.3
61.02920	1.1
67.05502	2.6
67.37412	0.5
67.62427	0.7
69.03445	4.1
69.07072	3.0
70.01349	0.6
70.06583	2.3
71.04978	1.9
71.53461	0.7
72.08154	1.2
73.11747	0.6
79.05509	1.4
81.03410	1.7
81.07067	9.2
83.08614	0.6
84.08138	1.1
85.02440	0.8
85.02912	11.7
85.06554	1.8
86.09706	3.8
87.04478	0.7
87.10080	1.2
91.05484	2.7
93.07034	1.2
95.04980	0.9
95.08619	5.0
97.02905	2.6
100.44757	0.7
105.03406	0.8
105.07036	1.7
106.07305	0.7
107.04948	0.7
109.02899	1.3
109.10151	1.5
115.05471	6.4
117.07033	13.2
119.08608	1.0
121.06498	0.8
127.03916	2.4
128.10724	1.7
129.05495	0.7
129.07019	0.8
129.11057	0.8
131.04926	0.8
133.06520	1.3
133.10133	1.2
135.04404	0.8
136.07664	0.7
137.05983	1.1
137.13307	1.2
143.08563	0.8
145.06494	100.0
146.07007	0.7
147.04462	0.9
147.08049	10.8
149.09618	0.8
151.03941	0.6
153.01872	0.9
156.10231	0.7
157.06491	1.2
159.08040	1.5
160.07634	0.7
161.09671	2.2
161.13289	0.9
163.03893	0.7
171.08069	1.5
172.04826	0.8
173.09642	1.1
185.09561	2.9
187.07516	1.3
187.11229	1.2
189.05539	0.8
189.09157	1.0
190.09370	0.9
195.06429	0.9
199.11137	1.3
203.12666	1.1
207.10172	0.9
232.10471	0.9
247.09827	0.9
248.12849	1.3
249.13116	2.2
260.39377	0.7
265.15527	1.7
266.15811	2.7
269.19070	0.7
275.19910	0.7
284.04224	0.7
287.05502	12.6
287.20053	10.1
294.15353	1.6
297.04327	0.7
300.14001	0.6
303.05029	6.4
307.11609	0.9
378.14575	1.4
422.83572	0.7
449.21881	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1084
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
50.37617	0.6
55.05510	0.8
56.94326	0.6
57.03442	9.4
61.02934	0.7
65.43015	0.5
67.05517	0.7
68.99807	0.7
69.03415	0.7
70.53209	2.1
71.04998	9.3
71.08325	0.6
73.02927	7.7
75.04492	18.3
79.01857	0.6
85.02910	12.8
111.00805	1.2
121.02870	1.2
129.05478	3.2
135.04417	0.7
137.02339	4.9
149.02361	1.0
153.01848	6.1
163.03989	1.1
165.01834	4.1
167.03452	0.7
183.02925	1.2
185.31369	0.7
191.03394	0.7
201.05527	1.8
206.36835	0.7
217.04970	0.6
229.04994	5.7
257.04523	3.4
274.04822	1.5
274.07690	0.6
285.03949	2.5
287.05533	21.8
299.05539	15.6
300.06332	4.0
302.04272	4.5
303.05026	100.0
304.05347	2.6
311.05493	2.4
313.07184	1.5
317.06595	38.8
325.07187	2.6
329.06613	13.8
339.08676	2.8
353.06635	5.1
365.06665	1.2
367.08063	0.9
377.06485	0.7
383.07758	3.3
395.07764	2.7
413.08841	4.7
431.09793	6.6
449.10815	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	449.1082
Annotation	Homoorientin
Peak:m/z	Relative Intensity
56.55546	1.9
57.03429	3.5
59.34874	1.8
62.31269	1.7
66.13860	1.8
70.06593	4.8
70.40110	1.9
70.68842	4.3
71.05003	26.4
72.08160	2.4
85.02920	27.7
89.96920	1.7
97.02922	2.3
109.02901	2.2
116.07048	3.2
120.08131	2.2
121.02881	3.1
129.05487	6.5
137.02373	12.1
147.04358	1.9
149.02383	1.8
153.01823	4.5
156.36705	1.8
161.02370	3.6
163.03889	2.7
165.01854	16.5
183.02928	4.6
187.04155	1.8
229.05035	5.8
234.99155	2.6
257.04459	4.4
257.07965	3.2
271.06277	2.1
272.06854	2.4
274.05096	2.8
283.06000	8.5
287.05527	6.7
297.07672	4.4
299.05515	83.9
300.06320	14.9
303.05032	100.0
311.05688	12.2
311.08801	3.0
313.07037	7.3
321.07693	2.4
324.06375	2.0
325.07062	14.2
327.05029	3.0
329.06573	77.9
337.07077	2.7
339.08728	17.1
349.07260	3.6
353.06622	35.3
359.07721	2.4
365.06512	7.8
367.08249	3.8
377.06497	6.3
383.07681	26.9
395.07614	18.0
413.08734	24.2
431.09732	26.6
449.10825	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	449.1082
Annotation	Homoorientin
Peak:m/z	Relative Intensity
53.03953	0.7
55.01868	1.0
60.17678	0.7
68.99809	0.8
70.66091	1.6
81.03406	1.0
85.02918	1.4
89.17138	0.6
89.95083	0.7
109.02912	1.5
119.04997	1.0
121.02881	1.7
135.04410	2.8
137.02357	6.0
141.01860	1.4
148.86992	0.6
149.02339	2.1
161.02328	1.9
163.03941	1.8
165.01851	12.8
167.03403	2.3
177.01845	2.3
177.05421	0.7
179.03322	0.9
183.02882	2.4
187.03938	1.3
191.03316	1.0
195.02928	1.7
203.03464	1.5
215.03391	1.2
234.14055	0.6
243.02914	1.1
245.04385	1.1
258.05365	0.9
271.06058	1.0
283.06094	6.3
286.04721	2.7
287.05618	4.9
295.06155	1.6
297.07562	6.5
299.05527	100.0
300.06219	7.7
301.07266	1.1
309.08099	0.6
311.05588	9.7
311.09180	1.9
313.03738	0.8
313.07071	2.8
321.07574	2.1
323.05603	1.1
324.06354	1.7
325.03503	1.9
325.07062	22.7
327.05121	1.5
329.06583	73.2
330.06979	1.3
337.07257	2.4
339.04794	1.3
339.08658	15.0
349.07077	3.9
353.06592	40.7
365.06573	12.9
367.08215	2.3
377.06573	11.4
383.07629	26.0
395.07675	21.2
395.12823	1.2
413.08746	25.2
431.09818	17.2
449.10715	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	449.1082
Annotation	Homoorientin
Peak:m/z	Relative Intensity
52.66715	0.6
59.24159	0.7
61.57912	0.7
67.35255	0.6
69.42121	1.1
69.42522	4.2
79.01850	2.3
81.03421	1.4
85.02901	1.6
95.48365	0.8
97.02922	0.8
98.20718	0.8
106.25963	0.7
109.02885	1.3
135.04422	2.4
136.05287	0.7
137.02356	14.0
141.63197	0.7
143.03592	0.7
153.01869	1.2
161.02362	2.0
163.04010	0.9
165.01836	4.4
167.03633	0.7
167.62875	0.6
177.01836	0.8
179.03534	1.2
183.02892	1.3
187.03958	0.9
191.03351	0.7
195.02853	0.8
203.03578	1.0
217.04953	3.5
227.07109	0.8
229.04965	3.8
243.02869	2.8
243.06425	1.2
244.07233	1.1
259.06091	3.1
261.04071	1.6
271.05991	5.4
272.06805	7.8
275.05438	1.1
283.05933	1.9
284.06903	0.7
287.05569	3.8
295.06122	1.1
299.05536	57.4
300.06317	30.6
301.07028	2.7
311.05563	12.2
311.08945	1.1
313.07065	13.5
323.05475	1.0
324.06363	2.3
325.07074	6.0
327.04968	2.0
329.06577	64.8
330.07019	0.9
337.07101	1.1
339.05099	1.9
339.08679	13.0
341.06497	3.5
343.08231	1.4
353.06619	16.0
359.07529	4.4
365.06448	1.5
367.08130	3.1
371.07803	0.8
383.07693	13.1
395.07666	8.5
413.08731	22.8
431.09784	43.0
432.09930	1.3
449.10864	100.0
450.11365	1.5
462.16458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Quercitrin
Peak:m/z	Relative Intensity
57.03443	2.7
66.18974	0.5
70.91162	1.3
71.04997	24.9
73.81137	0.5
75.04479	1.0
78.37263	0.4
85.02910	26.4
91.11665	0.5
119.67416	0.4
129.05490	6.8
137.02315	2.5
147.06517	1.3
153.01820	2.2
163.03918	0.7
165.01826	1.2
201.05466	0.9
223.53769	0.5
229.05003	1.8
257.04504	1.8
274.04514	0.7
280.92715	0.5
285.03940	1.0
287.05560	1.2
302.32001	0.5
303.05011	100.0
340.69513	0.6
345.05814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.64177	0.2
57.03426	0.6
58.74103	0.2
61.02653	0.4
61.02935	5.9
68.16439	0.2
68.99792	0.5
69.03423	1.0
70.26929	0.2
73.02561	0.3
73.02922	1.4
85.02907	4.7
91.03967	3.9
97.02902	3.0
98.21571	0.4
99.04478	0.3
105.03410	0.3
107.04948	0.4
109.02869	0.3
111.00816	0.7
115.18381	0.2
121.02870	3.0
127.03907	0.8
133.02873	0.4
137.02350	0.8
145.04974	0.7
147.04440	0.7
153.01837	3.5
157.06453	0.4
157.70334	0.2
165.01817	1.9
171.58676	0.3
173.61510	0.2
183.02907	0.6
213.05415	1.4
229.05045	0.3
230.62784	0.3
231.06566	0.7
241.04962	0.7
255.22955	0.2
258.05298	0.9
259.06030	0.5
269.04352	0.3
287.05521	100.0
288.05841	1.5
299.05505	0.7
325.07056	0.3
329.06531	0.6
401.85226	0.2
449.10971	0.3
449.17926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04094	1.0
53.03952	1.3
55.01873	1.5
55.05511	1.6
57.03437	2.4
60.04522	1.5
61.02922	1.2
66.12367	0.9
67.05508	3.5
69.03442	5.5
69.07052	0.9
70.06607	7.8
70.64210	3.4
71.04988	2.1
72.08131	1.5
79.05497	1.4
81.03433	5.3
81.07050	1.9
83.04990	1.4
84.04514	3.2
84.08147	3.8
85.02916	13.1
85.06563	1.5
86.09730	6.9
86.10170	1.1
87.00836	0.9
87.10078	1.5
91.05499	3.8
93.07061	2.9
95.04987	2.0
97.02905	4.6
97.06565	1.2
103.05465	1.5
105.07040	4.2
107.04965	4.1
109.02893	2.2
113.06029	7.2
116.07114	2.5
117.07040	4.0
119.04960	1.9
120.08125	3.0
121.06513	5.0
127.03902	4.9
130.06616	1.3
131.04927	7.8
131.08543	2.6
133.04980	1.5
133.06512	34.4
135.04405	1.0
137.02354	1.9
137.06021	4.8
138.03735	1.4
140.03452	2.1
144.30759	1.1
145.05031	1.8
145.06508	12.4
145.10141	1.9
147.04434	3.1
149.06006	22.8
150.05545	3.0
151.05832	1.1
154.07755	1.3
155.08557	3.3
157.06480	1.3
158.07321	2.7
159.08093	4.2
161.05991	27.0
161.07274	1.8
163.03978	2.1
163.07550	2.8
165.07816	1.1
165.09142	4.1
166.03249	2.3
169.10146	2.2
171.08037	1.9
172.08810	1.7
173.06010	3.9
173.09612	6.7
175.11191	2.6
177.09042	1.1
179.07129	5.6
179.08478	1.7
185.09654	5.7
187.11186	9.1
189.09117	4.3
191.10703	8.1
197.09665	3.9
200.06262	1.0
203.10686	6.9
203.20457	1.1
205.12332	1.7
207.10115	1.3
215.10692	15.3
221.11766	18.4
224.12810	1.9
231.10063	1.3
233.11754	100.0
234.12126	1.1
251.12810	6.2
268.10794	2.6
269.05960	3.5
286.11938	1.0
287.05399	1.2
299.05597	4.5
301.08618	3.1
313.07111	1.2
329.06616	4.5
331.52441	1.2
339.08948	1.3
347.14920	1.9
353.06705	1.6
364.25150	1.0
365.16159	1.7
373.10483	1.3
383.07880	1.3
413.08740	1.5
431.09753	1.9
448.18845	1.1
449.10791	2.3
449.16345	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	6.5
58.06603	1.8
65.79809	0.8
69.07062	2.0
70.06593	15.6
70.10490	3.1
71.08631	2.6
71.66548	0.8
72.08170	1.6
81.07058	1.8
88.07107	1.1
88.07642	21.6
91.05489	2.7
93.07094	1.4
102.09187	15.0
105.07006	2.2
107.08627	0.9
118.19616	0.9
119.04939	1.0
132.02074	6.4
136.01541	4.2
147.04422	19.8
147.11856	1.1
148.05138	2.5
174.10887	0.8
175.03923	39.9
176.04619	1.4
177.20401	0.9
180.04166	8.9
191.07080	1.4
191.76201	0.8
193.04964	1.1
209.29730	1.0
219.06541	71.3
235.69432	0.9
256.26361	41.3
263.14175	1.0
271.06143	1.3
272.06396	2.4
448.30618	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1088
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
54.56664	0.1
58.06604	0.1
61.02925	0.1
67.01878	0.5
67.05505	0.1
68.99808	0.4
69.03422	0.2
69.31001	0.4
69.31419	0.2
70.06587	0.2
71.04997	0.1
79.05484	0.2
81.03418	0.2
81.07070	0.2
82.58697	0.1
84.08147	0.1
85.02903	0.4
89.03939	0.2
91.05482	0.1
93.07059	0.3
95.08576	0.2
97.02911	0.3
97.06524	0.1
98.21532	0.2
99.04467	0.1
105.07018	0.2
107.04967	0.5
107.08618	0.1
109.02904	0.1
115.97149	0.1
117.03411	0.2
119.08601	0.1
120.04457	0.1
121.02885	0.1
125.02254	0.1
127.03938	0.2
129.89149	0.1
131.04961	0.1
135.04445	1.7
137.02357	0.5
137.06006	0.1
145.04979	0.1
147.08076	0.1
147.11671	0.1
149.09674	0.1
151.03889	0.1
151.95055	0.1
153.01843	4.9
157.06558	0.1
161.02377	0.5
161.05969	0.1
163.03838	0.1
171.02919	0.3
179.03397	0.2
181.04912	0.1
183.06558	0.1
185.05896	0.1
213.05507	0.2
229.04724	0.1
241.04945	0.4
245.04445	0.1
259.06052	0.1
263.05496	0.1
269.04324	0.4
271.06003	0.1
287.05527	100.0
288.05881	1.2
299.05566	0.4
303.04956	0.2
329.06406	0.2
353.06226	0.1
383.72504	0.1
449.10928	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05011	1.4
58.06571	0.6
60.04508	1.0
60.05654	0.7
69.03420	1.4
70.06597	4.3
72.08129	2.0
79.05498	1.1
81.03386	0.8
83.04971	0.6
83.06087	1.5
84.04504	1.4
84.08157	3.0
85.02888	2.2
86.09713	2.5
91.05447	1.1
95.06133	0.5
97.02892	0.6
97.07609	0.6
98.20683	0.7
99.05577	0.5
102.05508	0.7
105.03387	1.9
106.06517	1.1
107.04960	11.8
109.02803	0.7
110.07172	1.0
111.05560	4.8
113.07135	1.1
115.03916	1.8
115.05432	0.7
116.07105	1.6
119.04958	0.6
119.31915	0.6
120.03653	0.6
120.04485	12.4
121.06504	1.4
123.05533	0.7
124.07595	0.9
126.06657	6.6
127.03928	1.4
128.07065	1.9
129.10266	1.0
130.04999	0.6
130.06525	0.6
132.04466	17.9
132.08032	0.6
133.05199	0.6
134.06018	7.2
137.04686	2.0
137.05974	1.5
140.03447	4.0
140.08160	1.0
143.04930	1.7
145.06500	1.2
147.04393	1.0
151.06172	7.3
154.05011	0.9
157.07649	0.6
162.06638	0.6
163.03909	1.5
163.07430	0.7
165.07861	1.3
168.08846	1.8
172.14996	0.6
173.05887	0.6
173.09732	0.5
175.07509	2.1
180.10214	0.7
202.09772	11.4
209.09616	1.4
216.11420	2.5
228.07581	0.7
230.09271	8.7
231.12460	1.2
232.10727	3.2
233.11720	0.8
237.09070	1.8
242.09210	3.0
257.07907	0.7
257.10281	4.0
259.11920	67.6
260.12396	1.1
266.06509	0.9
269.11664	5.0
277.13022	1.9
284.11404	5.2
286.14374	2.6
287.05460	1.2
299.05420	0.6
299.64719	0.6
301.14087	6.4
302.12491	28.7
303.12802	0.7
319.15070	1.7
329.06427	0.6
362.18033	0.9
406.17267	11.4
430.18268	0.7
448.19431	100.0
449.19656	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	448.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.2
53.03955	3.8
57.03434	1.7
58.06591	2.3
59.93211	0.5
69.03434	12.1
69.86203	0.9
69.86602	1.4
70.06561	0.6
71.05000	1.4
73.02917	0.9
78.03459	16.3
80.05011	2.1
80.41766	0.5
81.03423	17.5
85.02914	12.3
86.09746	0.5
96.04504	2.8
97.02910	5.7
98.97588	0.9
99.04449	2.0
106.02923	73.2
107.04956	0.8
109.02889	12.5
109.03600	1.0
115.04055	0.6
115.12761	0.5
120.08128	0.6
124.03963	100.0
127.03925	8.5
137.06027	1.5
138.06400	0.5
145.04987	1.1
147.04463	0.8
160.07561	1.1
161.07840	0.5
163.03827	1.1
166.05025	1.9
190.03293	0.6
198.71188	0.5
199.95766	0.5
205.13402	0.6
208.06067	0.5
223.72194	0.5
226.07144	1.0
232.06065	6.1
250.07138	25.3
268.08185	53.2
269.08548	0.6
286.09213	2.0
287.05545	3.5
362.02744	0.6
386.20078	0.6
404.21277	0.6
412.12521	1.4
430.13443	7.0
448.14548	16.4
448.20096	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
53.87643	1.2
55.01866	2.4
55.05516	12.9
57.03442	15.6
57.07077	3.4
65.03939	2.2
67.05508	43.6
69.07069	13.9
71.08630	2.0
71.52542	1.8
79.05492	22.5
81.07060	46.5
83.08607	6.8
85.06530	1.6
85.10210	1.2
89.71907	1.1
91.05473	13.0
93.07047	27.7
95.04968	2.2
95.08607	38.9
97.10154	2.9
98.98457	9.2
102.09177	1.3
105.07050	9.7
107.08611	18.2
109.10162	17.3
111.11704	1.2
113.00023	78.9
117.07021	2.9
119.08576	10.0
121.10149	15.5
123.11684	6.9
127.67168	1.4
129.06995	1.2
131.08589	7.0
133.10182	7.7
135.11710	11.4
137.00017	9.8
137.09555	1.1
137.13260	2.1
145.10106	4.6
147.11723	3.8
149.02324	2.8
149.13280	7.1
155.01054	6.4
159.11667	3.4
161.13293	3.4
163.14822	3.6
169.02625	22.1
173.13295	3.5
175.14868	3.1
177.16457	1.5
187.03708	7.4
187.14827	3.0
189.64410	1.1
193.02562	1.3
243.21066	7.0
261.22113	16.0
291.23169	1.4
311.25644	5.8
317.24802	4.9
335.25812	100.0
336.26181	1.7
341.35983	1.3
429.24283	1.9
447.25107	16.2
447.42203	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	447.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.8
57.07080	32.0
59.15952	0.3
68.20828	0.4
69.07069	4.0
69.35096	0.6
69.35505	1.8
71.08637	27.8
73.06557	3.3
77.91259	0.3
79.98589	0.3
83.08626	3.2
85.10191	16.3
87.04457	1.9
89.06038	100.0
91.07598	1.0
97.10173	4.7
99.11739	3.6
102.88624	0.3
105.71127	0.3
107.07073	7.0
107.07746	0.6
111.11729	2.5
113.08075	0.3
113.13302	1.0
117.09183	0.8
124.20766	0.4
125.13286	0.7
125.31992	0.3
127.14867	1.4
130.08658	2.6
133.08614	36.7
141.16437	0.6
151.09666	5.5
155.17964	0.9
169.19542	1.0
171.12146	0.3
174.90430	0.4
177.11235	8.2
177.12692	0.6
195.12296	29.5
234.47752	0.3
297.31564	0.5
341.34238	1.0
403.38165	0.4
447.40536	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	447.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
53.03955	0.6
54.45567	0.1
65.03936	0.5
67.05479	0.1
69.03432	0.2
69.79393	0.5
70.06571	0.1
70.57508	0.1
73.02914	0.4
77.03941	0.3
78.04713	0.2
79.05071	0.2
79.05499	3.1
81.03415	0.2
81.07040	0.1
85.02895	0.3
89.03915	0.4
91.05493	5.4
93.07059	0.2
95.04973	0.5
95.08645	0.1
97.02894	0.1
97.71598	0.1
103.05435	0.1
105.03396	0.3
105.04541	0.3
106.04247	0.2
106.06568	8.6
107.04955	0.3
107.08611	0.1
109.06512	0.5
116.04990	6.6
119.04977	0.3
119.06096	0.5
121.02885	0.1
121.06516	2.0
127.03920	0.1
132.04475	0.5
134.06030	100.0
134.52829	0.1
135.06366	0.6
137.02341	0.1
147.04431	1.8
151.04015	0.1
152.07031	0.1
152.10732	0.8
153.01836	0.3
178.08606	0.2
211.68645	0.1
213.91000	0.1
224.92020	0.1
228.88722	0.1
229.04898	0.2
285.16003	12.0
286.16354	0.2
296.11124	0.1
303.05045	2.9
314.15942	0.9
318.03464	0.2
333.06061	0.9
350.19659	0.1
438.09143	0.1
447.13556	0.3
447.21356	9.1
448.21210	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2486
Annotation	MC-207,110
Peak:m/z	Relative Intensity
55.05513	1.3
57.03438	2.0
57.07080	6.4
67.05504	1.3
69.07067	1.9
70.26234	2.4
71.08633	5.5
71.09912	0.6
81.07065	1.9
83.08614	1.0
85.10188	3.5
88.07684	0.6
95.08608	2.3
97.10170	0.9
102.05746	0.6
103.20603	0.6
106.02287	0.6
120.32089	0.5
134.06078	0.8
134.39496	0.5
134.98198	15.7
135.11681	0.7
153.01863	0.7
161.01318	0.6
209.01875	2.7
271.06021	19.8
271.08817	1.3
285.43628	0.7
313.27365	11.8
313.30762	1.0
353.26511	1.7
415.22061	1.2
429.23819	1.9
447.24866	100.0
448.25391	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.4
60.38784	1.8
65.03934	2.2
67.05508	11.2
69.07069	3.1
71.52161	3.0
75.43152	1.6
79.05486	8.5
81.03424	8.8
81.07048	9.9
83.04996	2.0
83.08617	3.8
91.05475	9.5
93.07041	7.1
95.04961	6.7
95.08590	4.2
97.06551	1.9
97.10176	2.3
105.07047	5.1
107.04951	3.4
107.08585	4.9
109.10179	2.5
109.40643	1.7
110.07207	2.0
111.08064	2.1
119.08595	5.1
121.06548	3.7
121.10181	2.1
121.58257	1.8
123.35493	1.9
129.07053	3.8
131.08592	3.3
135.04420	3.9
135.11737	3.4
137.06053	2.7
145.06491	7.4
145.10161	4.5
148.05200	3.2
149.02376	4.0
151.07523	2.7
157.10258	2.6
159.08086	3.8
163.11336	2.0
166.06262	15.4
173.05963	4.3
181.08606	51.5
181.10199	2.6
187.07594	5.4
188.08379	12.0
189.05501	4.2
189.09024	1.8
193.12291	3.8
201.05473	3.8
201.08673	2.3
202.09901	5.8
203.14389	1.9
204.07813	15.7
209.08110	3.3
211.07452	2.3
219.10144	31.3
221.07979	2.5
231.10164	18.3
233.11699	5.7
241.08600	6.5
249.11272	3.5
254.09256	2.2
257.08102	2.7
261.11267	5.0
267.06711	2.2
269.08078	8.8
271.06122	2.4
271.09677	6.4
282.08948	2.5
284.10480	23.2
285.07556	7.5
285.10956	4.0
297.07574	2.9
297.11160	1.9
299.09073	4.5
300.09952	9.8
307.09613	3.2
312.09988	4.6
313.07242	2.3
313.10696	5.1
314.11398	3.8
315.12225	11.1
322.11880	2.6
325.10541	1.9
328.09433	2.8
328.13080	4.2
337.14285	2.5
343.11783	39.2
344.12573	2.3
355.22668	5.0
358.14117	100.0
359.14752	5.6
365.13788	8.4
371.14975	8.0
380.16367	13.1
381.13031	2.5
396.15408	2.6
399.18094	3.0
411.18024	16.5
429.18896	11.7
429.26205	5.8
447.17892	4.0
447.27509	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53414	0.2
55.01870	0.3
60.69991	0.2
65.42917	0.2
67.01855	0.4
67.05507	0.6
67.33096	0.2
68.28025	0.2
68.99791	0.5
69.03437	0.6
70.06624	0.5
71.05022	0.2
71.52309	0.3
73.02925	13.9
79.05502	0.7
81.03407	0.7
81.07055	0.5
83.04978	0.4
84.08155	0.3
85.02898	0.9
85.06568	0.3
87.04486	1.6
91.05480	1.1
93.07048	0.7
95.04989	0.6
95.08604	0.4
97.06534	0.3
99.04424	0.6
105.03432	0.2
105.07047	0.6
106.06567	0.8
107.08603	0.6
109.02886	0.5
109.06531	0.2
109.10181	0.3
111.00819	0.7
111.04453	0.3
115.05473	0.3
116.04978	0.5
119.04989	0.3
119.08553	0.4
121.02857	1.1
121.06518	0.5
121.10181	0.3
123.04429	0.7
127.03957	0.3
131.04926	0.3
131.08549	0.4
133.06503	0.3
133.10107	0.3
134.06023	7.9
135.04372	0.4
137.02359	3.6
147.04457	0.4
149.02406	0.9
151.03961	0.4
153.01846	4.6
155.04918	0.4
161.06024	0.6
163.03877	1.3
165.01878	2.3
165.06972	0.3
173.05954	0.6
179.03394	0.3
183.02890	1.2
183.04388	0.5
187.03998	0.4
191.48438	0.3
195.02983	0.3
201.05487	1.8
207.02869	0.3
210.34428	0.2
215.07246	0.3
229.04987	4.6
243.08826	0.3
247.06058	0.8
257.04453	3.0
274.04770	0.8
275.26663	0.3
285.03983	1.5
285.06885	0.3
285.15948	0.8
301.03552	0.3
302.04218	0.5
303.05023	100.0
304.05383	1.3
315.05130	0.3
327.05167	0.3
351.90219	0.3
415.10449	0.6
429.11606	0.5
447.12329	0.6
447.20685	0.9
454.07785	0.3
464.02988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0926
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
53.03962	0.8
55.05527	1.3
57.86140	0.5
58.06608	0.8
59.05033	0.5
61.02950	2.0
67.05519	1.4
68.99824	1.8
69.03452	1.5
69.07097	0.9
70.06596	0.9
71.05023	1.0
71.53286	0.6
71.53686	0.5
72.08146	2.7
79.05525	1.8
81.03444	1.3
81.07101	2.2
83.05002	0.7
84.08161	0.6
85.02940	1.4
87.04487	0.6
89.07361	0.5
91.05531	1.4
93.07066	2.7
95.04967	0.8
95.08657	1.8
96.24272	0.5
97.02903	1.1
97.06541	0.8
98.29575	0.4
103.05460	0.6
105.07063	0.9
107.04982	1.1
107.08645	1.8
109.02892	1.1
109.10194	1.2
111.00864	1.3
114.09174	0.6
115.05500	0.7
117.07014	0.8
119.04929	0.9
119.08612	0.9
121.10156	1.4
123.04427	1.1
127.03954	0.8
129.07059	0.9
131.04955	0.7
133.06496	0.7
135.04465	0.7
135.11732	0.8
137.02414	0.8
137.06007	0.8
145.06491	1.3
145.10179	0.5
147.04446	1.5
147.08051	0.5
147.11693	0.7
149.06024	0.8
151.03920	0.9
151.07651	0.5
153.01830	11.9
153.02956	0.9
157.06587	1.0
157.10060	0.7
159.04520	0.8
161.02351	0.7
161.06020	0.9
163.03947	1.2
165.01956	0.7
171.04466	0.9
175.03931	2.7
175.07585	0.5
177.05521	0.9
183.04507	0.7
185.06046	0.9
187.03914	1.0
189.01906	1.4
199.03984	1.0
201.05528	1.1
203.03392	4.9
207.02837	1.2
211.03925	1.2
213.05516	1.8
215.03363	0.8
217.04945	0.7
225.05643	0.7
229.01419	0.6
229.05052	2.0
235.07581	0.6
239.03455	1.5
240.04222	0.6
241.04944	2.7
243.03014	2.5
245.04498	0.8
248.20163	1.1
249.20583	0.8
253.05016	1.7
255.02875	2.9
257.04471	1.7
258.05283	2.1
259.06100	1.5
266.21054	1.4
267.06528	1.7
267.21527	0.9
268.03748	1.3
269.04428	4.2
271.02869	0.8
271.06012	8.1
273.03918	3.4
277.05029	0.7
281.04706	1.2
283.02457	2.7
284.22263	2.9
285.03949	3.8
285.22531	2.0
286.04761	4.8
287.05490	1.0
291.06683	0.6
293.04462	0.8
294.05289	0.9
295.06042	3.4
296.03189	5.0
297.03949	12.9
298.04440	1.0
301.03488	4.9
303.04935	1.0
305.04510	1.2
311.05399	1.1
313.03442	23.3
313.06638	1.0
314.04187	7.9
315.04947	3.0
319.05994	1.0
321.04077	0.8
322.04794	0.8
323.05496	2.4
325.03308	1.7
326.04385	1.1
327.05084	1.3
329.02917	10.6
337.07300	0.8
339.05154	0.7
341.02869	1.2
341.06549	6.7
343.04501	100.0
344.04907	1.4
347.05444	4.6
350.04135	0.7
351.05084	5.4
353.03076	3.4
365.06775	1.6
367.04550	1.3
369.06067	7.4
375.05029	1.0
385.05563	3.6
393.06055	35.8
394.06232	0.5
411.01492	0.7
411.07104	18.9
429.08063	3.2
447.09180	34.1
447.19257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19271	0.3
55.05516	0.9
67.04862	0.3
67.05515	2.1
69.07066	2.5
71.12949	0.3
71.13290	0.7
81.07051	1.5
83.08625	1.3
91.05486	0.6
93.07069	1.5
95.08619	0.4
97.10185	0.5
97.30930	0.4
109.10178	3.7
113.81851	0.4
119.08581	2.9
121.06519	7.0
122.07307	1.0
133.10205	0.4
135.08075	1.0
136.08858	10.3
137.09631	9.4
149.05992	0.6
149.09656	1.7
151.07536	0.6
152.08325	1.0
162.06818	0.4
163.11226	0.9
164.08356	34.8
165.09129	100.0
166.09465	3.5
169.02702	0.4
171.54681	0.3
177.09148	2.2
177.12813	0.5
178.09850	0.5
187.11212	0.6
189.09177	1.1
190.09946	0.5
191.10709	1.2
192.11060	0.4
203.10880	0.5
205.12268	8.7
206.12683	0.4
219.13869	0.4
309.86691	0.4
373.14600	1.0
374.14697	0.4
387.15912	0.7
388.16583	1.2
389.17709	0.9
401.17764	0.7
403.19376	2.1
415.15594	0.8
416.16064	1.2
417.16522	2.4
418.21216	1.2
419.22318	0.5
428.36545	85.8
429.36749	1.5
430.17459	0.5
431.18231	3.9
445.20160	0.8
446.20676	25.7
447.21600	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	16.6
55.01872	10.3
55.05524	26.0
56.05035	9.9
57.39841	3.9
61.91248	3.5
64.17706	3.9
65.03933	9.6
67.05514	57.2
69.03445	7.9
69.42944	8.5
69.43346	25.1
70.06591	7.4
71.07379	20.8
72.08164	100.0
79.05502	46.1
79.42506	3.7
81.03429	33.6
81.07040	9.1
82.04188	6.8
83.04998	33.3
91.05492	68.7
93.03410	11.6
93.07067	42.1
95.04966	28.6
95.07351	4.2
95.08583	5.1
95.64735	3.3
97.06532	3.9
98.06068	23.9
100.79978	3.9
103.05469	11.1
105.04533	7.1
105.07043	64.3
107.04947	16.5
107.08589	11.2
109.02886	3.7
109.06446	3.8
111.04467	4.3
112.05922	3.7
113.08347	6.8
115.05475	10.0
116.07068	5.0
117.07029	41.2
119.04932	4.3
119.08610	25.8
121.02891	4.1
121.06525	31.9
121.10093	3.7
123.04465	3.5
128.06212	25.0
129.07022	18.5
130.07846	5.4
131.08557	18.8
132.41011	4.3
133.06506	9.7
133.10155	10.5
135.04385	6.5
135.08031	4.4
135.11696	4.2
139.09930	10.3
143.08603	27.1
145.06511	8.9
145.10149	38.6
145.73709	3.5
147.08092	6.3
149.02316	20.5
150.09161	3.9
152.10721	22.8
153.06993	4.4
155.06020	4.5
157.06477	4.3
161.09566	19.0
166.12271	4.0
171.08078	12.6
173.09634	11.0
180.06778	4.3
180.10237	5.0
181.73328	3.7
189.09053	10.1
193.04979	14.5
204.13960	6.0
220.13365	4.3
237.07602	5.3
244.17012	15.3
260.16595	6.9
261.17084	4.2
317.06104	9.8
331.08029	5.0
332.08469	10.2
359.07489	4.4
385.09003	7.4
428.27899	8.7
429.11887	31.8
446.15189	12.7
446.29230	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	446.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	13.5
53.04161	3.3
55.01866	11.0
55.05520	32.5
56.05032	11.6
58.68035	2.5
65.03936	6.6
67.05179	3.9
67.05517	53.7
69.03417	5.3
69.07093	5.9
69.96156	11.1
70.06584	10.7
71.07401	16.0
72.08164	100.0
77.03892	2.7
79.05502	48.5
80.06258	3.0
81.03429	36.1
81.07059	13.8
82.04218	3.4
83.04984	31.4
91.05489	72.1
93.03419	8.3
93.07057	34.0
95.04983	36.4
95.07349	5.6
95.08611	4.1
96.04471	4.6
97.06557	5.4
98.06073	19.7
103.05469	7.6
105.03444	3.1
105.04517	3.7
105.07043	72.5
107.04945	20.5
107.08597	11.3
108.05721	3.2
109.06531	3.8
110.06075	5.2
110.09737	2.8
111.04440	4.2
113.08366	4.0
115.05463	11.9
116.06272	3.3
116.07111	7.4
117.07028	55.7
119.04900	5.4
119.08577	29.0
121.06516	40.5
121.10164	3.2
123.04498	3.2
124.07598	4.9
128.06229	29.6
129.07014	23.6
130.07753	4.0
131.04829	3.9
131.08580	28.3
132.52921	2.6
133.06508	12.2
133.10164	13.8
134.06018	2.9
135.04376	4.0
138.09189	4.4
139.09946	13.2
143.08577	44.6
144.09306	2.9
145.06493	10.8
145.10139	39.5
146.10857	3.0
147.08086	7.4
147.11734	4.4
149.02408	6.1
150.09132	3.4
152.10724	26.5
155.08528	2.9
157.10138	5.7
159.08063	4.8
159.11617	3.4
161.09634	20.7
163.11182	3.3
164.10777	7.1
165.66020	2.8
169.10153	4.9
171.08072	15.5
173.09637	10.1
180.10258	5.3
182.11742	6.7
189.09102	8.4
191.10701	3.5
192.71696	3.1
193.04930	4.6
204.13857	5.2
216.13817	3.5
218.15491	3.4
220.13295	6.8
244.16948	18.1
258.53140	2.9
260.16422	9.1
261.17365	2.7
262.18030	5.3
317.06372	5.7
324.38589	3.0
331.08221	4.4
332.08344	4.1
428.27972	17.4
429.11652	5.8
446.15405	3.1
446.28851	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	446.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01874	2.5
55.05511	9.7
57.07082	1.3
57.36894	1.0
58.06612	1.5
61.02931	1.2
67.05508	37.9
69.03415	5.7
69.07074	7.7
70.06578	5.5
71.07368	1.4
71.52486	1.9
72.08165	31.4
72.99416	1.1
73.02935	1.9
79.05501	25.0
81.03429	3.7
81.07065	48.9
83.04966	1.5
83.08624	4.6
85.02917	7.0
91.05467	9.1
93.07053	32.8
95.04981	4.6
95.08622	12.7
97.02891	2.5
97.06545	1.9
103.05505	2.3
105.03382	5.0
105.07021	6.1
107.04955	2.9
107.08609	27.1
109.06515	2.5
109.10165	13.5
110.12413	1.0
111.08090	1.3
116.07107	4.3
117.07016	4.9
119.08603	4.3
121.06503	1.8
121.10146	12.4
123.08077	3.6
127.03905	1.5
131.04935	2.6
131.08583	4.4
133.10175	4.4
135.08083	1.3
135.11699	6.1
139.09904	1.2
145.04973	1.6
149.13277	16.9
159.11726	4.8
177.12799	5.0
191.10599	1.4
200.49200	1.0
248.20119	99.2
249.14774	2.9
256.59952	1.1
266.21176	90.9
267.15945	1.2
267.21503	2.3
268.89630	1.2
284.12933	2.4
284.22229	100.0
303.04959	10.4
325.18793	1.2
332.94449	1.1
410.28860	1.3
446.21576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
53.93167	0.7
55.01864	1.9
55.05518	9.6
57.03432	1.2
57.07045	1.1
57.15900	0.7
58.06604	1.4
59.04981	1.0
60.31117	0.7
65.03928	1.4
66.86942	0.7
67.05510	37.3
69.03433	6.0
69.07069	8.1
70.06595	6.6
71.07352	0.9
71.53909	0.7
72.08160	30.6
73.02892	2.2
79.05500	27.5
81.03436	4.4
81.07064	47.1
83.04971	2.2
83.08621	3.9
84.08158	1.0
85.02430	1.0
85.02905	9.6
85.06538	1.3
86.09698	2.0
87.04459	0.9
91.05466	10.0
93.07051	38.1
95.04981	4.5
95.08610	13.4
96.04523	0.7
97.02886	2.9
97.06516	2.7
98.06055	1.0
99.04459	1.5
99.08104	1.5
103.05447	1.6
105.01874	0.9
105.03394	10.9
105.04488	0.9
105.07030	6.5
107.04960	3.6
107.08603	31.7
107.51588	0.6
109.02871	2.7
109.06522	3.8
109.09486	1.1
109.10171	15.2
111.04396	0.8
111.08091	1.0
116.07102	3.8
117.07031	4.6
119.08596	5.0
121.02814	0.8
121.06504	2.7
121.10157	8.3
123.08087	1.7
127.03897	2.9
129.06985	0.8
131.04910	2.9
131.08585	5.8
133.10127	6.4
135.08061	2.1
135.11693	6.4
137.05963	1.5
138.06357	0.9
139.09898	2.3
143.11803	0.8
145.04919	1.7
145.10097	1.1
147.08098	1.1
147.11676	1.5
149.05989	1.4
149.09625	1.4
149.13264	20.3
150.47995	0.8
151.03915	1.2
157.10062	0.9
159.11726	4.8
161.05913	0.7
175.07542	0.7
177.12782	4.9
181.08594	2.5
189.12573	0.8
203.14319	0.9
231.13757	1.0
248.20119	100.0
249.14851	5.9
266.21170	91.0
267.16019	1.5
267.21536	1.4
271.05884	0.9
284.12918	8.9
284.22220	97.8
285.22668	1.3
303.05005	12.3
333.05936	1.3
363.77744	0.8
392.28018	1.3
446.11002	1.3
446.20331	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.7
55.01873	5.6
56.47062	4.3
57.03427	5.6
58.06614	18.0
69.03423	16.0
70.06590	13.3
70.51123	3.5
70.61687	3.3
72.08154	4.2
76.14093	3.7
81.03419	13.9
81.07041	4.2
83.04976	3.6
84.08144	13.0
85.02507	4.3
85.02915	46.1
86.09704	15.7
87.00828	10.5
87.04470	5.6
91.05453	6.8
93.07072	6.7
93.76656	3.6
97.02907	30.8
99.04465	5.2
103.05486	8.4
105.01894	23.6
106.06546	4.1
109.02880	14.1
115.03931	6.4
121.02859	19.6
124.03954	3.6
127.03925	49.5
128.07133	4.4
131.04919	15.0
131.08601	4.3
133.04944	6.2
134.06018	100.0
135.11671	3.9
144.08035	5.1
145.04959	31.2
146.06079	5.2
149.09550	4.4
152.07079	85.9
153.05479	22.2
159.02849	11.5
159.09157	10.1
163.03854	5.8
167.31055	3.9
181.04912	4.4
231.05034	10.4
244.15318	4.6
245.08992	3.8
262.11957	4.5
340.23776	4.5
446.31122	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	446.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30058	0.8
53.03950	10.4
55.01879	12.2
55.05499	2.2
57.03445	7.2
57.32002	0.7
60.04515	2.2
61.02942	5.3
65.03911	0.8
67.05515	8.3
68.60429	0.8
68.99786	3.5
69.03436	32.4
69.07074	1.2
70.06583	3.5
70.66975	1.9
71.05005	5.8
72.08169	5.8
73.02931	10.9
79.05508	5.5
81.03425	34.2
81.07058	10.2
83.01366	1.9
83.04982	1.8
84.08112	0.8
85.02913	100.0
87.00835	38.2
87.04483	1.5
91.03948	2.7
91.04971	0.9
91.05483	8.9
93.07051	16.5
93.76176	0.8
95.04967	2.4
95.08607	3.7
97.02901	39.3
97.06493	1.2
98.06038	1.6
98.56414	0.9
99.00808	0.9
99.03848	1.1
99.04462	16.5
103.03923	2.3
103.05465	6.3
105.01875	33.8
105.07024	3.9
107.04955	2.2
107.08621	5.6
108.03815	1.0
108.04494	13.1
109.02893	39.0
109.06536	0.8
109.10148	2.1
111.04424	1.1
115.03915	1.8
115.05459	0.9
116.07093	3.4
117.01859	4.6
117.05464	0.9
117.07045	2.5
119.04954	1.3
119.08622	1.0
121.06518	13.7
121.10130	1.2
123.04430	1.2
126.05502	6.2
127.03931	74.1
129.01868	4.8
131.04916	2.2
131.05977	0.9
131.08563	1.6
133.06436	1.6
133.10143	1.7
135.04408	1.6
135.11673	2.2
144.06566	1.4
145.04976	35.9
145.06421	3.1
145.10156	1.1
147.02882	2.8
147.08112	1.4
149.05992	28.7
149.13297	4.9
155.06117	0.8
157.06514	1.0
159.02910	26.8
161.05974	2.1
166.06213	2.3
167.07053	11.8
173.06012	4.1
175.07587	2.3
177.03998	1.5
177.12619	0.9
181.08611	87.1
183.08012	1.3
187.07535	1.7
189.03990	4.7
191.07051	4.3
193.08644	12.0
205.08597	4.4
207.10201	5.3
211.07658	1.4
211.09595	1.0
212.05663	1.5
213.03952	3.2
215.06973	1.5
217.08481	1.4
221.08151	2.0
223.09694	6.8
229.08440	1.0
230.06599	5.5
231.05025	14.7
231.13806	1.2
233.08032	1.6
235.09682	3.5
239.07091	1.9
243.10170	1.7
246.65627	0.9
248.07690	10.4
248.20102	17.0
249.06155	1.9
249.14839	1.0
251.20593	0.9
261.11136	3.2
266.08737	3.0
266.21164	17.2
271.09644	5.6
284.22235	19.1
289.10721	6.7
303.05063	2.9
307.11749	3.4
363.48682	0.9
460.42258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01868	7.3
55.05275	3.2
55.05518	47.4
57.06833	3.7
57.07080	46.1
63.21754	2.3
64.00453	2.2
67.05511	19.5
69.03397	2.2
69.07072	76.8
69.19694	5.4
69.20097	19.1
71.08644	30.4
75.10027	2.3
79.05472	15.5
81.07062	65.6
83.04971	4.1
83.08624	51.7
83.65730	2.5
85.06507	2.3
85.10182	13.7
91.05472	8.9
93.06562	3.2
93.07057	34.2
95.04977	2.5
95.08617	50.4
97.06526	8.3
97.10172	31.5
105.07019	5.9
106.99040	2.3
107.08604	29.7
109.06555	4.6
109.10166	22.9
111.08094	15.0
111.11716	19.1
119.08608	3.3
121.06517	9.0
121.10156	14.6
123.08067	8.8
123.11711	10.2
124.05227	3.2
125.09589	3.0
125.13274	5.9
127.48057	2.9
133.10068	3.3
135.11708	16.4
137.05966	10.4
139.07553	100.0
139.14810	3.0
145.10167	3.4
147.11627	3.2
149.06067	3.3
149.09666	3.3
149.13272	19.0
151.07539	10.2
163.14812	15.8
165.05510	16.9
165.09125	20.2
175.11256	6.0
177.09119	5.0
177.16353	4.7
181.08627	3.4
189.12762	2.6
193.08672	18.6
203.10677	6.2
217.12314	6.6
221.11707	3.1
231.13741	4.7
277.36411	2.4
289.28888	15.7
299.39645	2.6
307.29935	24.9
359.02621	2.7
403.35400	2.6
417.37225	7.8
427.35507	6.1
445.36835	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36745	5.2
51.97585	6.8
55.05517	30.2
57.07088	54.5
58.53363	6.9
64.46894	5.7
67.05520	19.5
69.07078	54.6
71.08635	43.8
71.25739	13.8
71.49242	6.2
79.05491	11.1
81.07071	36.0
83.01357	8.6
83.08638	32.9
85.10197	29.4
86.88244	5.8
91.05496	13.0
93.07045	16.4
95.08614	21.5
97.02905	6.0
97.10194	16.5
98.28391	6.0
105.07047	10.4
107.08604	13.4
109.06553	57.3
109.10175	17.6
111.11703	7.3
112.36787	5.9
119.08625	12.8
121.80231	5.9
123.08080	12.7
123.11760	10.0
125.13362	8.7
131.08582	10.8
133.10188	7.9
135.08127	14.4
137.06017	100.0
139.07550	25.5
145.10153	7.0
147.11725	13.4
149.09688	16.2
151.07579	47.1
157.10165	10.4
161.09673	22.7
161.13345	7.3
163.07594	7.3
165.09163	25.6
171.11688	6.4
173.13127	7.1
175.11263	20.5
177.09128	13.5
179.10732	9.5
189.12848	13.3
193.12361	20.4
207.13852	20.7
235.17004	10.7
249.18587	12.7
259.20865	6.4
263.19992	8.1
291.23282	10.3
338.12598	6.6
385.34772	33.9
399.36328	23.9
403.35687	26.2
408.46259	6.4
412.87506	6.1
417.37479	60.7
427.35785	18.1
445.36801	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	445.2952
Annotation	Foetidinol
Peak:m/z	Relative Intensity
54.36626	0.8
55.01883	1.1
55.05497	1.2
57.03428	2.1
57.07080	8.7
57.12428	0.8
58.23713	0.7
59.77898	1.0
62.63816	0.9
67.05496	1.9
69.07072	23.3
69.47123	5.1
69.47554	1.4
79.05472	1.4
81.07043	3.4
83.01352	2.4
91.05465	1.6
93.07064	4.5
95.08597	2.5
105.07021	1.5
107.08636	5.4
109.02882	2.8
109.06528	1.6
109.10165	1.8
119.08554	1.3
123.11726	10.8
131.08580	0.9
135.08080	1.6
135.11679	8.2
137.05948	3.7
145.10098	2.5
149.06006	1.0
149.09612	2.6
151.07562	1.3
153.05429	3.1
155.08630	0.9
162.06787	2.0
163.07571	4.6
163.11119	1.5
165.05493	88.0
165.09108	2.1
169.08588	1.6
173.09628	3.0
176.08278	2.1
177.05508	1.5
177.09145	13.0
191.10687	7.1
201.09093	3.0
207.10254	1.0
217.08447	1.0
219.10181	69.2
220.10455	1.0
221.11743	49.3
222.47615	0.9
225.11185	2.0
237.11240	100.0
281.38739	0.9
287.16455	47.9
305.17535	13.2
331.08585	0.9
341.21036	3.0
343.22897	4.3
350.46951	1.0
353.00031	1.0
357.20724	1.3
359.17746	1.8
359.22192	32.5
371.22046	2.6
377.23343	1.9
387.15958	1.9
401.17554	1.6
415.15408	2.8
421.71591	0.9
427.28662	1.3
429.17224	2.0
430.18030	4.1
445.20093	34.4
446.20596	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41863	0.4
55.05502	1.0
57.07071	0.9
68.41318	0.4
69.07078	2.2
69.28817	0.8
69.29226	2.9
73.64967	0.4
81.07039	0.8
83.08606	1.1
83.52042	0.4
95.08626	0.6
97.10176	0.7
100.41342	0.4
101.37132	0.4
103.75652	0.5
107.08623	0.5
109.10123	0.9
111.11735	0.7
137.09587	0.8
149.09599	1.0
163.11241	0.6
165.07790	0.8
165.09119	11.6
177.09105	0.8
189.12823	0.5
191.10809	0.8
192.88029	0.5
205.12250	2.1
253.12326	0.4
267.57693	0.4
271.41034	0.4
298.61157	0.4
360.14536	0.5
370.13571	0.4
371.13361	0.7
372.13760	1.7
373.14343	1.3
374.16092	0.5
384.14780	0.5
385.14703	1.1
386.15192	1.6
387.12430	0.4
387.16086	4.4
388.16934	0.8
393.34714	0.4
400.17023	1.1
401.13000	0.8
401.18173	4.9
402.18607	2.1
403.19226	0.5
414.14603	1.0
415.15231	8.3
416.15546	1.3
416.19882	1.9
417.21024	2.7
427.35825	2.1
429.17032	6.8
430.17566	10.9
431.18228	0.8
444.18735	0.8
445.20068	100.0
446.20673	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42718	1.5
53.03944	7.8
55.01868	1.8
55.05510	10.1
57.03437	3.5
57.07077	7.3
57.88292	1.9
61.02943	3.4
67.05511	17.9
68.99789	3.7
69.03098	1.4
69.03434	38.8
69.07080	8.4
70.06595	4.0
70.44604	5.0
71.05005	12.0
71.08616	1.7
72.08160	3.3
73.02920	1.9
75.56629	1.9
78.29480	1.7
78.99973	2.0
79.05511	5.2
81.03429	39.5
81.07066	41.8
83.08633	10.2
85.02434	3.5
85.02916	47.8
85.06564	2.3
86.09691	2.5
87.00829	16.4
89.35831	1.7
91.05473	3.2
93.07051	7.1
95.08616	44.6
95.09183	3.7
96.03984	1.6
97.02908	15.5
97.10197	9.7
99.04471	13.8
99.08121	2.3
105.01865	9.7
105.07054	6.6
107.08607	4.9
109.02896	36.0
109.07983	1.8
109.10168	58.1
111.04437	2.2
112.91422	1.8
115.11238	1.9
119.08598	5.7
121.10160	5.5
123.08080	2.2
123.11722	58.0
127.03934	100.0
129.01826	4.2
133.10112	3.2
135.11615	2.7
137.05998	2.9
137.13264	13.9
143.08565	2.6
145.04941	5.8
145.10141	2.4
147.11707	3.0
151.03947	2.5
151.07634	1.9
156.16891	1.8
159.11769	2.1
167.07060	2.4
177.16428	5.3
179.14317	2.4
179.17960	34.1
183.02895	2.6
197.11728	10.1
197.19017	8.6
201.09015	2.1
206.41919	2.1
213.03935	9.8
219.17607	2.0
231.04997	25.7
249.06049	3.2
262.93179	1.7
269.19162	2.5
287.20139	3.0
294.82132	1.7
399.05020	2.1
409.22174	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	444.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46436	0.3
53.03949	0.8
55.05498	0.3
63.39188	0.3
64.56509	0.3
65.03947	0.9
67.05511	1.5
69.07072	0.7
70.80785	0.9
77.03935	0.4
78.04725	0.3
79.05499	3.2
81.06590	0.5
81.07062	7.6
89.03943	0.4
91.05490	7.4
95.04980	0.8
95.08616	3.3
99.02898	0.3
105.03371	0.7
105.04504	0.4
106.04125	0.4
106.06566	11.6
109.06503	0.8
116.04992	8.1
118.85409	0.3
119.06100	0.7
130.06560	0.6
132.04535	0.3
134.06027	100.0
135.06358	0.8
137.13268	0.9
143.07375	0.3
144.08098	13.9
155.07339	0.6
156.08090	1.1
157.07672	0.5
158.09671	2.9
168.08243	0.3
170.09676	6.5
182.09766	0.5
184.11281	2.8
191.11845	0.5
196.11214	0.5
198.12825	0.8
201.10309	0.5
203.37090	0.3
224.14249	0.4
238.15912	0.9
250.15849	0.5
256.16910	0.3
262.33444	0.3
265.18268	0.4
268.20734	0.5
279.02640	0.3
280.20621	95.9
281.21017	1.5
282.22192	2.6
311.24808	1.8
321.81073	0.3
337.22714	1.5
352.60580	0.3
413.25845	1.1
426.28857	1.0
444.30154	20.0
445.30722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.207
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.05509	2.8
57.03426	1.7
58.06598	4.0
65.03941	2.1
67.05503	6.1
69.03420	9.4
70.06593	8.8
71.04985	1.6
71.53545	3.2
72.08160	5.6
73.04782	3.6
79.05503	5.1
81.07066	3.2
83.04965	3.3
84.04489	2.0
84.08148	3.9
85.02911	10.4
86.09699	5.4
89.97155	1.6
91.04974	1.8
91.05473	6.9
91.05892	2.3
93.07066	9.1
95.04975	9.2
95.08607	1.9
97.02914	4.6
97.06557	1.6
98.18886	1.6
99.04469	2.2
105.07029	13.5
107.04978	2.0
107.08585	4.2
109.06563	8.0
111.04481	8.1
111.08064	1.9
113.05967	2.4
115.05440	2.2
116.07100	3.8
117.07025	2.4
119.08581	17.3
121.02892	3.1
121.06516	8.6
121.10175	3.6
123.08052	4.6
127.03927	3.8
128.06245	1.8
129.07091	2.2
131.08540	7.9
133.06500	2.5
133.10112	4.6
135.08040	17.2
137.06006	3.3
137.09599	2.0
137.60680	1.5
142.07857	2.0
143.08571	3.1
145.06462	3.2
145.10144	7.3
147.04428	2.6
147.08037	7.1
147.11647	5.2
149.05991	2.2
149.09605	4.6
151.03888	3.3
155.08571	2.3
157.10112	6.5
158.06012	2.9
158.07289	4.4
159.08055	9.1
159.11722	7.7
160.07607	18.0
161.06013	1.9
161.09695	8.1
163.03918	2.2
165.09140	5.6
167.05557	2.8
172.08826	2.4
173.09642	4.6
173.13199	5.0
175.07538	14.7
175.11205	7.0
177.05516	2.5
178.05870	2.1
183.11723	3.3
187.11128	9.2
189.09135	3.8
189.12732	3.4
193.08603	3.6
196.08862	3.5
199.11188	6.2
201.12704	7.5
203.10614	10.5
207.88657	1.8
211.11195	5.0
217.12267	6.1
219.13838	3.0
225.04234	2.0
227.10092	1.8
229.12318	7.7
247.13290	31.4
265.14368	100.0
266.14590	1.8
283.11484	2.2
359.02905	5.2
386.16089	8.1
445.16595	10.3
445.22546	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	444.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71400	0.2
53.03937	0.7
55.05519	0.3
56.10506	0.2
59.59385	0.2
65.03944	0.6
67.05509	1.4
67.37282	0.3
69.07063	1.1
69.74638	1.5
77.03921	0.4
77.71106	0.3
78.04726	0.3
79.05502	4.0
81.07058	7.8
89.03920	0.3
91.05486	7.1
93.07020	0.3
95.04980	0.7
95.08064	0.3
95.08614	3.8
96.92431	0.2
105.03389	0.6
106.06564	10.9
107.08609	0.4
109.06516	0.6
109.10165	0.4
116.04981	8.6
116.23435	0.3
117.07065	0.3
117.11731	0.3
119.06049	0.3
130.06543	0.6
132.04416	0.6
132.08081	0.4
134.06020	100.0
135.06395	0.6
137.09671	0.3
137.13271	0.7
143.07301	0.5
144.08087	13.7
155.07303	0.4
156.08131	1.2
158.09642	2.4
165.09085	2.0
166.09428	0.3
169.08951	0.3
170.09650	6.7
170.11093	0.4
172.11139	0.3
174.29218	0.3
182.09621	0.7
183.10362	0.4
184.11212	2.8
196.11250	0.8
198.12814	0.9
201.10245	0.4
208.11224	0.4
224.14334	0.5
238.15939	1.1
250.15999	0.8
268.20755	0.3
280.20609	94.8
281.20975	1.3
282.22198	3.2
308.17545	0.3
311.24728	1.1
337.22711	1.5
413.25809	1.5
426.29169	0.9
426.34793	0.5
444.30142	19.4
444.40030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01881	1.8
55.05520	8.2
57.03442	2.2
57.07080	1.4
65.03946	1.7
67.05509	13.3
69.03444	5.7
69.07069	2.6
70.06595	6.1
70.09625	1.0
71.05003	1.8
71.53841	1.3
72.08160	39.7
79.05498	21.4
81.03417	7.1
81.07059	19.7
83.04975	3.9
84.08146	1.3
84.36913	1.1
85.02889	3.7
91.05486	23.3
93.07056	15.6
95.04975	4.8
95.08616	3.4
97.02885	2.5
97.06533	1.9
98.06040	2.0
105.07040	30.2
107.04967	4.1
107.08600	22.7
109.02925	1.4
109.06523	2.1
109.10163	1.8
111.04484	1.7
115.05400	1.1
116.07091	2.9
117.07003	1.4
119.08596	12.9
121.10139	3.2
127.03922	1.9
129.07021	3.0
129.10345	1.2
131.08566	8.8
133.06477	6.5
133.10155	20.8
145.10117	2.2
147.08029	1.9
147.11699	42.3
149.13260	5.6
152.10681	2.6
157.10127	3.4
161.09636	1.4
165.09097	2.3
165.12816	3.4
175.11191	9.8
178.12354	1.5
182.11794	1.6
184.90277	1.1
192.84613	1.2
193.12231	3.2
193.98952	1.1
246.18521	14.6
264.19614	78.6
265.19922	1.5
282.20654	100.0
283.20941	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	444.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.05515	6.9
56.05031	1.2
58.06594	1.0
60.10431	0.8
61.64678	0.6
65.03934	1.1
67.05169	1.0
67.05508	12.2
69.03435	2.3
69.07063	3.0
69.69088	4.1
70.06595	4.4
71.07374	3.3
72.07758	1.2
72.08162	30.8
79.05499	50.5
81.03429	4.7
81.07062	43.9
82.58979	0.7
83.04984	2.9
85.02910	3.8
91.05491	27.8
93.07054	14.8
95.04980	5.7
95.08625	3.3
97.02885	1.5
97.06543	1.8
98.06042	1.5
103.05457	0.9
105.06321	1.0
105.07035	25.5
107.04950	3.4
107.08604	42.6
109.02901	1.0
109.06516	3.8
111.06831	1.1
117.06997	1.5
119.04957	1.1
119.08596	12.0
121.06546	1.0
121.10162	2.3
124.07596	1.0
129.07007	2.8
129.78438	0.7
131.08589	8.0
133.06503	4.8
133.10136	12.2
137.06009	1.3
139.09946	9.3
142.07823	0.9
145.10132	2.0
147.08049	2.4
147.11700	28.1
149.09633	1.1
149.13264	5.1
152.10724	2.2
157.10172	2.2
165.12767	2.3
166.12315	1.5
175.11203	5.9
193.12256	1.4
220.16942	1.6
246.18555	58.0
247.18958	0.8
264.19611	100.0
265.20041	1.1
282.20663	76.0
333.30597	0.7
426.24936	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81257	0.3
53.03944	1.4
55.01858	1.0
55.05502	1.5
56.05053	0.4
57.03433	1.4
57.07079	8.0
59.04992	0.3
61.02921	1.5
65.03949	0.4
65.54726	0.3
67.05484	1.0
69.03441	5.3
69.07059	0.9
69.48348	2.6
70.06599	3.0
71.04982	1.2
72.08162	2.2
73.02921	0.5
73.06506	0.4
74.06088	1.4
78.33309	0.3
79.05504	4.3
81.03418	3.2
81.07047	1.0
82.06586	1.0
83.04987	1.0
84.04504	0.5
84.08150	43.1
85.02912	14.5
85.03695	0.4
85.06535	2.1
86.09718	2.5
87.04456	0.6
91.03967	0.6
91.05482	6.1
93.07052	20.6
95.04971	1.1
95.08612	2.8
97.02899	6.5
99.04436	1.2
100.07623	0.4
101.02317	0.3
103.03973	0.4
103.07584	1.5
105.04557	0.5
105.07063	1.8
105.79906	0.3
106.62215	0.4
107.08602	25.3
109.02891	3.1
109.06540	0.8
115.03950	0.5
116.07118	1.5
119.08591	0.5
120.06592	0.7
127.03925	7.0
128.07065	2.6
129.10233	0.7
130.08650	100.0
133.10120	0.5
135.11705	10.2
144.06606	0.8
145.04982	3.5
147.07684	0.7
153.12726	0.3
161.09578	0.4
162.07591	0.4
163.11208	0.3
164.07065	0.4
165.47058	0.3
180.08669	0.6
184.47652	0.4
187.17136	0.4
211.09668	0.7
229.10689	4.4
238.25537	0.4
247.11778	12.9
282.09766	0.7
282.17953	0.7
282.20706	2.0
297.10107	0.3
426.08414	1.1
444.20236	0.9
444.25912	5.4
468.96243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.1
55.05505	2.3
57.07076	1.3
67.05493	1.6
69.03433	5.2
70.06599	7.1
71.55723	1.3
79.05505	2.7
81.07066	2.0
83.04977	5.0
84.08154	1.5
85.02895	3.5
86.09707	1.7
89.36574	1.2
91.05479	4.0
93.03392	1.3
93.07052	6.5
95.04949	1.9
96.95392	1.1
97.02898	4.1
105.07059	3.5
107.05011	1.4
107.08586	6.2
109.02886	5.2
109.06532	4.7
109.10155	2.3
111.04447	3.4
117.06998	1.5
119.08572	4.5
121.02889	1.9
121.06509	10.6
121.10145	2.0
123.08076	1.8
127.03964	1.7
131.08580	3.6
133.10132	3.3
133.91023	1.3
135.08072	17.2
143.08585	1.4
145.06570	2.3
145.10162	1.9
149.09618	5.3
157.10132	1.4
158.10916	2.7
159.08051	3.3
159.11688	8.6
160.08809	1.4
161.09575	1.5
162.12755	3.2
163.07558	8.9
163.11174	2.2
165.01772	1.3
165.56543	1.1
172.08815	1.5
173.09686	6.4
173.13275	14.8
175.86330	1.2
183.11697	2.4
186.10490	5.5
187.07622	1.4
187.11188	29.2
191.07021	4.2
192.10052	1.2
201.12755	23.7
203.14452	1.5
205.12242	7.8
207.12572	1.6
211.11205	3.0
218.85553	1.2
219.13826	6.1
229.12245	26.2
237.41525	1.3
247.13322	100.0
248.13763	2.0
265.14346	8.5
283.06024	4.4
330.42795	1.4
444.27591	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	443.3887
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
53.03941	4.1
55.05515	14.8
57.07073	5.2
59.05005	3.4
63.03325	2.1
65.03945	1.8
66.52242	2.2
67.05508	37.9
69.07076	36.8
69.98909	2.0
70.10798	9.0
71.04996	18.0
79.05504	23.7
81.07063	83.2
83.08618	16.3
85.06541	2.5
86.28111	1.9
91.05500	16.3
93.07050	59.2
95.08613	84.1
97.06519	4.2
97.10165	7.8
99.08104	4.8
105.07042	31.9
107.08602	79.2
109.10165	100.0
111.08111	2.3
111.11707	8.7
119.08587	40.9
121.10149	52.1
123.11716	31.3
125.09708	2.9
127.11191	28.6
131.08595	9.9
133.10156	27.7
135.11696	72.8
137.13272	14.2
139.11148	4.2
143.10663	2.9
145.10193	14.3
147.11676	27.0
149.13272	40.8
149.83752	1.9
151.14844	2.2
153.12756	13.1
157.10054	3.2
159.11717	17.3
161.13252	21.0
163.14828	19.3
165.12918	2.2
173.13254	8.3
175.14818	15.8
177.16382	22.1
185.13264	2.7
187.14819	8.5
189.16350	15.5
191.17940	7.9
193.15938	3.4
195.17439	9.5
199.14812	3.0
201.16388	5.6
203.17946	12.7
209.18912	3.3
215.17995	9.9
217.19550	16.5
221.19106	2.5
229.19550	8.7
231.21083	8.4
243.21060	2.6
251.23509	2.2
257.22675	6.4
259.24225	7.1
267.02200	2.3
271.24063	3.7
275.23737	3.1
277.25296	1.9
283.24210	2.4
285.25711	9.4
303.26746	6.0
314.36691	2.1
339.30490	4.4
343.29904	3.4
357.31696	3.4
407.36533	3.9
425.37823	43.3
443.28259	2.3
443.33640	12.8
443.38977	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	444.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01804	0.2
53.03941	0.3
55.01852	0.3
56.78225	0.2
57.03421	0.6
57.24996	0.2
59.04992	0.3
61.02917	0.3
69.03429	2.8
69.20985	1.2
69.21391	0.4
70.06576	0.6
71.04975	0.8
81.03404	0.7
81.04543	0.3
82.06609	0.2
84.04529	0.2
84.08157	1.0
85.02915	1.7
86.09676	0.2
87.04475	0.4
91.84631	0.2
94.04061	0.3
97.02921	1.0
98.21603	0.3
99.04473	0.7
101.06017	0.3
105.53633	0.2
109.02891	0.3
113.02401	0.2
119.03560	1.2
122.07146	0.8
122.74216	0.2
123.07975	0.5
124.03976	0.3
127.03943	0.4
128.07077	0.9
129.05455	0.2
129.07430	0.2
130.08600	0.2
136.06198	100.0
137.04581	0.6
137.06552	0.5
147.06532	0.4
151.03922	0.2
161.07993	0.3
163.03876	0.9
164.04256	0.2
173.06039	0.4
175.03908	0.5
201.05472	1.1
201.95013	0.2
218.08168	1.5
227.73886	0.2
264.08698	4.8
272.12622	0.2
281.10968	0.3
282.09711	1.0
282.12390	2.0
298.11285	0.2
298.46899	0.2
315.97095	0.2
378.62088	0.2
426.14151	0.5
444.17239	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	443.3888
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
53.03919	4.3
53.65487	3.9
55.05514	20.0
57.07074	8.6
59.85591	3.6
60.55267	4.0
67.05515	38.8
69.07080	50.5
71.04996	13.5
74.89152	3.8
79.05505	17.9
81.07063	100.0
83.08633	15.3
88.34528	4.4
91.05489	16.5
92.50619	4.2
93.07054	40.6
95.08617	96.2
97.10191	11.6
99.08080	9.1
105.07028	21.5
107.08591	42.6
109.10175	85.2
111.11739	10.8
113.09708	4.5
117.07039	7.3
117.89010	4.3
119.08580	24.7
121.10171	30.8
123.11716	36.5
125.09665	10.9
127.11200	18.3
130.56114	4.1
131.08589	6.9
133.10152	29.1
135.11729	30.4
137.13231	21.6
145.10147	10.9
147.11717	23.5
149.13258	31.7
151.14786	4.6
152.41447	4.0
155.10674	6.3
159.11710	12.8
161.13330	10.0
163.11160	6.2
163.14873	18.0
165.09137	6.9
165.12730	9.1
173.13295	12.2
175.14864	10.7
177.16441	6.4
183.13843	9.2
187.14870	9.3
189.16408	13.7
191.18079	9.5
193.16052	4.7
199.14883	7.8
201.16370	6.8
203.18073	9.9
215.17982	5.4
217.19594	5.7
229.19429	6.6
229.50320	4.3
243.21167	4.6
246.79559	4.0
257.22745	6.0
273.25668	4.0
339.30600	5.0
407.36499	5.1
425.37793	42.0
443.33365	23.5
443.38904	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	443.3888
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
50.62714	2.0
53.03942	3.2
55.05511	13.0
57.07083	5.0
67.05178	2.4
67.05511	28.1
69.07073	39.4
71.04993	7.4
79.05494	19.1
81.07065	100.0
83.08633	14.5
85.06538	2.9
91.05486	11.6
93.07053	34.8
95.08617	88.3
97.10177	6.3
97.71178	2.5
99.08096	4.9
105.07021	20.6
107.08608	57.5
109.10165	63.8
111.08076	2.9
111.11724	5.7
112.75558	2.2
113.09701	2.0
117.07059	3.4
119.08609	27.0
121.09325	4.1
121.10155	47.4
123.11711	24.6
125.09666	3.6
127.11209	7.9
129.63515	2.3
131.08580	6.8
133.10141	23.9
135.11714	40.6
137.13278	18.5
145.10144	12.5
147.11702	25.4
149.13277	34.6
153.12698	2.9
157.10126	2.6
159.11674	13.8
161.13295	19.9
163.14803	16.1
173.13283	9.3
175.14825	17.2
177.16389	29.7
179.14323	3.2
187.14821	7.8
189.16418	10.4
191.17935	11.4
193.15898	4.6
195.17473	4.9
201.16434	6.9
203.17984	6.5
205.19478	6.0
213.16304	2.2
215.17966	11.0
217.19498	11.2
229.19539	5.8
231.21098	6.8
233.19060	6.2
240.96931	2.1
243.21034	2.5
247.20627	2.2
251.20085	2.3
257.22778	3.8
259.24335	3.3
262.89047	2.0
301.25180	2.7
305.03723	2.2
329.28433	2.9
339.30283	2.8
361.30905	2.7
407.36679	6.8
425.37762	29.2
443.33850	3.6
443.38931	18.7
459.23077	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3892
Annotation	15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
Peak:m/z	Relative Intensity
55.05514	17.7
57.07066	9.6
67.05505	26.2
69.07082	39.5
69.69953	14.1
69.70364	6.1
71.05002	16.0
79.05500	19.6
81.06594	5.2
81.07066	100.0
81.98860	2.7
83.08629	18.6
87.01752	2.9
91.05485	16.0
93.07060	40.8
94.52465	3.0
95.08617	93.4
97.10178	8.8
99.08109	4.0
105.07028	34.2
107.08603	57.1
109.10160	66.9
111.11702	5.8
119.08583	31.0
120.45284	3.3
121.10150	47.6
123.11725	24.3
125.09651	8.8
126.51905	3.5
127.11156	16.0
131.08545	6.9
133.10141	24.2
135.11696	32.7
137.13275	19.6
143.08478	3.4
143.10651	11.6
145.10110	15.6
147.11703	30.7
149.13268	31.3
153.12759	4.9
157.10120	4.0
159.11716	18.9
160.07593	5.7
161.13260	19.5
163.14821	15.4
165.09129	6.6
171.11687	4.6
173.13271	15.2
175.14798	18.3
177.16376	17.2
183.43393	3.6
187.14838	11.0
189.16377	18.3
191.17955	9.4
201.16415	6.9
203.17941	13.4
205.19556	9.8
215.17958	10.8
216.27614	3.3
217.19565	11.8
223.17094	4.5
229.19493	8.6
233.19031	7.0
243.21106	6.6
251.20004	5.7
255.21034	3.8
257.22687	6.6
259.24060	3.9
285.25659	11.0
343.29541	3.9
383.31302	6.9
407.36746	4.3
425.37796	43.9
443.23715	3.6
443.33380	26.9
443.39105	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	443.3887
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
55.05514	19.1
57.07076	16.4
65.50268	12.2
67.05498	30.4
69.07066	31.4
71.52647	13.6
71.72206	12.5
77.04054	12.3
79.05511	25.8
81.07061	72.8
81.66920	12.8
83.08659	19.7
93.07052	32.2
95.08617	83.2
105.07047	24.8
107.08596	75.4
109.10175	81.3
119.08577	41.2
121.10136	35.7
123.11707	53.7
127.11249	20.6
132.55209	11.7
133.10124	44.4
135.11725	34.9
137.13274	19.1
145.10103	14.5
147.11693	25.7
149.13297	23.4
159.11777	17.1
161.13307	28.7
162.52087	11.5
163.14760	11.3
165.09152	14.7
173.13210	23.6
175.14787	14.1
177.16425	13.7
203.18011	16.7
213.92902	13.8
215.17990	15.5
229.19467	21.9
425.37988	100.0
443.33411	63.0
443.38629	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	443.3887
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
55.05515	22.6
56.54289	3.6
57.07063	7.9
57.68277	4.3
59.04991	6.9
67.05519	26.3
69.07072	93.1
69.33630	23.9
69.34052	11.3
75.60016	3.5
79.05508	21.7
81.07064	87.8
83.08615	19.4
85.06533	7.7
91.05475	16.2
93.07058	58.0
95.08614	100.0
97.06525	4.6
97.10139	7.8
99.08087	7.2
102.43512	5.2
105.07059	33.9
107.08611	87.2
109.10175	75.9
111.11729	57.7
119.08586	34.5
121.10162	76.7
123.11706	35.0
127.11203	7.3
131.08615	8.1
133.10138	35.8
135.11714	63.7
137.13266	16.2
139.11203	13.7
145.10104	11.8
147.11691	27.4
149.13275	50.3
151.14818	7.2
153.12767	9.0
159.11708	13.5
161.13295	15.5
163.14833	24.9
167.97331	4.0
169.07344	4.8
173.13277	12.4
175.14839	20.4
177.16393	41.2
187.14789	9.5
189.16418	15.5
191.18015	30.1
195.17451	29.8
201.16339	5.0
203.17966	12.4
213.16307	4.7
215.17969	8.4
217.19632	20.7
229.19499	10.6
231.21066	11.5
255.21094	4.7
257.22659	7.7
259.24298	6.0
271.24216	17.4
285.25665	7.8
301.25357	5.1
407.36719	14.7
425.37851	71.8
443.33728	26.6
443.38763	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3886
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
51.81090	2.6
55.05511	23.4
57.07064	8.7
59.04990	3.1
67.05515	26.2
69.07072	40.1
69.48032	19.9
71.05003	21.0
79.05494	23.4
81.07065	80.9
83.06189	2.4
83.08617	21.1
83.91436	2.8
85.06538	4.4
87.04467	6.2
91.05492	17.8
93.07059	43.1
95.08612	74.2
97.06567	3.4
97.10156	15.5
99.08072	4.1
105.07033	33.9
107.08604	60.9
109.10162	74.3
111.11716	3.1
117.07018	5.5
119.08605	38.2
121.10146	47.8
123.11721	38.1
125.09623	11.0
127.11198	30.3
131.08553	11.9
133.10147	36.1
135.11710	49.2
135.27831	3.0
137.13274	10.2
143.08568	3.9
143.10701	17.2
145.10115	21.3
147.11697	37.9
149.13263	37.8
151.14847	3.7
153.12753	5.5
157.10123	4.2
159.11690	20.8
161.13272	25.6
163.14865	18.6
165.09108	6.4
167.14326	3.4
171.11696	2.8
171.47585	2.8
173.13258	13.5
175.14828	23.3
177.16373	18.6
185.13284	5.1
187.14841	12.1
187.32462	3.1
189.16473	15.7
189.17868	3.1
191.17889	13.6
193.15915	3.6
195.17407	9.7
199.14839	4.2
201.16365	11.0
203.18054	17.7
205.19420	3.6
215.17970	11.4
217.19597	15.0
227.17941	3.9
229.19543	19.2
231.21164	18.7
243.21046	4.3
257.22641	7.7
259.24203	11.3
271.24307	3.3
285.25812	16.2
301.11920	2.9
323.27390	2.7
339.30606	3.4
343.29749	8.1
351.30612	3.4
369.31131	3.3
402.74442	3.0
407.36957	7.1
425.37805	100.0
443.33310	21.9
443.38806	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	443.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.2
53.64772	0.1
55.05512	0.7
57.07082	0.2
58.06594	0.1
65.03947	0.2
67.05508	3.0
69.07077	0.7
69.07393	0.2
69.38124	0.3
69.38553	0.4
72.08139	0.3
73.53334	0.1
75.23747	0.1
79.05496	0.6
81.07060	1.8
83.04971	0.4
83.08617	0.4
89.04378	0.1
91.05482	0.8
93.07047	0.7
95.04963	0.2
95.08610	1.7
97.10156	0.2
98.20721	0.2
105.07032	0.3
107.04951	0.2
107.08595	0.8
109.06544	0.2
109.10165	4.2
111.08086	0.2
117.07030	0.2
119.04942	0.1
119.08588	2.6
121.06521	0.3
121.10139	0.2
122.07301	1.5
123.08115	0.2
123.11702	0.6
133.10146	0.3
134.06041	0.3
135.08076	0.4
135.11665	0.3
137.09627	10.6
137.13245	0.3
138.09900	0.1
147.11714	0.3
149.09621	0.3
149.13303	0.3
151.07585	0.2
157.06467	0.1
159.11717	0.1
161.13254	0.2
163.07527	0.7
163.14841	0.3
165.09125	100.0
166.09451	1.0
177.09123	0.4
177.16386	0.1
179.10728	0.2
183.17447	0.1
189.09148	0.2
190.09888	0.1
191.10701	0.2
191.17935	0.1
203.10681	0.3
203.17972	0.1
205.12251	1.8
209.18930	0.1
231.13629	0.1
247.24300	0.2
273.25803	0.4
291.26859	1.0
328.23523	0.1
340.62866	0.1
425.25168	0.3
425.33755	0.5
440.40683	0.1
443.35104	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3888
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
53.03948	4.1
55.05515	19.4
56.89755	2.0
57.07079	10.4
59.04974	2.1
67.05177	2.8
67.05511	32.8
67.68513	1.6
68.48592	1.8
69.07077	28.5
69.20464	14.7
71.04996	17.6
71.08641	4.3
73.06557	1.8
79.05497	20.2
80.72075	1.8
81.07065	78.1
83.08630	15.3
84.31623	1.8
85.06537	3.1
87.04472	2.9
88.21046	1.5
88.68398	1.7
91.05497	16.4
93.06478	3.8
93.07054	57.5
95.04961	1.8
95.08612	86.4
97.06527	3.0
97.10182	6.9
99.08081	4.6
105.07030	33.1
107.08602	70.5
107.91040	2.1
109.06561	2.3
109.10162	79.0
111.11736	5.1
113.09653	1.6
117.07001	3.1
119.08588	38.0
121.10147	66.6
123.11716	38.9
125.09650	1.9
127.11196	26.9
131.08578	6.9
133.10150	32.5
135.11703	56.5
137.09622	2.1
137.13252	18.9
139.11208	3.5
141.12796	1.8
143.10603	1.9
145.10139	16.2
147.11705	28.7
149.09595	2.6
149.13271	43.0
151.14859	3.6
153.12749	9.3
159.11693	17.1
161.13277	25.8
163.14853	21.6
165.09137	23.2
165.12706	2.7
167.14365	1.9
171.11737	3.1
173.13283	13.7
175.14850	22.1
177.16397	23.4
179.14369	2.6
186.14055	3.1
187.14771	12.7
189.16414	22.9
191.16240	2.7
191.17955	28.2
193.15906	2.8
195.17464	7.7
199.14923	2.4
199.26770	1.7
199.48692	1.8
201.16393	10.1
203.17958	15.1
205.12184	2.8
205.19510	1.9
213.16391	6.0
215.17941	11.6
217.19579	16.8
224.39687	1.9
229.19598	16.4
231.21126	16.5
243.21138	2.5
250.91383	2.0
257.22537	9.8
259.24228	8.0
271.24271	2.6
275.23755	3.3
285.25787	8.8
289.24857	1.9
302.85324	1.9
329.28543	2.2
339.30399	2.1
355.29813	2.4
359.28702	1.8
405.86234	1.8
407.36768	5.0
425.37787	100.0
443.33591	8.1
443.39282	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	443.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.0
55.01871	5.8
55.05517	32.9
56.05052	2.2
57.03434	8.5
57.07087	2.5
59.05006	10.1
61.02925	10.2
64.96039	1.7
67.05506	4.1
69.03436	30.8
69.07072	5.1
70.06603	16.0
71.05003	3.1
71.51572	2.7
72.08153	7.4
73.02921	3.1
77.36009	1.9
79.05487	8.7
81.03416	10.6
81.07069	18.8
83.04985	50.0
83.08633	1.7
84.04514	4.6
84.08171	8.9
85.02912	72.8
85.06564	5.0
86.09713	11.2
87.04483	4.0
91.03970	2.2
91.05494	13.5
93.07048	14.8
95.04967	15.6
95.08608	7.2
97.02905	20.3
97.06552	2.7
99.04461	6.5
101.06018	29.7
103.03978	2.6
105.07049	21.1
107.08591	12.4
109.02888	7.4
109.06508	12.6
109.10178	9.7
111.04497	3.6
116.07102	2.4
117.07017	8.8
119.08591	23.0
121.06521	8.2
121.10145	18.2
123.08083	5.6
125.06036	3.2
127.03941	15.9
128.06216	2.6
129.10236	4.0
130.07773	3.0
131.08589	6.7
133.06506	3.3
133.10141	16.1
135.08090	13.1
135.11691	6.1
136.07622	4.2
137.06042	3.6
137.09622	8.1
143.08597	4.4
145.04956	11.8
145.06519	4.5
145.10147	19.6
147.08040	25.6
147.11694	2.0
149.09674	3.4
151.07581	3.3
156.09277	3.0
157.10149	8.5
159.08083	8.1
159.11726	6.3
161.09642	13.7
161.13246	4.0
163.03937	4.6
163.11192	100.0
165.09042	2.6
171.08089	2.6
171.11696	4.1
173.13181	3.0
175.11200	2.6
177.09074	12.8
179.10713	7.3
179.14529	2.4
181.12247	45.1
185.09616	2.2
185.13264	4.9
187.11224	4.3
189.09142	6.3
201.12834	2.5
203.14394	8.4
205.12117	4.2
207.10205	19.3
215.14255	3.3
227.14305	4.8
233.15443	5.3
245.15388	21.4
263.16449	65.1
281.17474	38.4
300.81525	2.0
343.17709	2.8
425.21777	5.1
443.17590	6.0
443.23151	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99231	0.4
56.05032	0.4
57.05812	0.4
60.04509	0.4
60.05652	6.8
60.59286	0.4
60.85196	0.4
63.70647	0.4
69.07072	8.2
70.06599	19.9
70.80153	0.8
71.04979	0.4
72.08161	1.4
84.08159	1.9
84.57848	0.4
86.09714	98.8
93.07079	0.4
93.31902	0.4
97.07615	0.4
107.08628	0.7
112.08745	4.2
112.28660	0.4
114.10303	1.0
115.08706	4.1
116.07101	8.7
120.08070	0.4
128.10733	17.2
130.09741	2.8
133.09740	0.8
149.38855	0.5
156.10202	1.4
156.11340	8.8
157.10869	0.7
158.09271	6.7
175.11926	17.2
204.90617	0.4
218.73862	0.4
226.15627	0.5
229.15746	0.5
233.22406	0.4
247.06087	0.8
253.16583	0.5
263.16531	0.4
265.07220	0.7
269.18732	1.0
271.17691	7.4
277.61301	0.4
288.20154	0.7
425.28485	1.0
434.30267	0.4
443.29810	100.0
444.30316	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.6
71.15031	0.6
75.60752	0.3
77.64062	0.3
98.97600	0.4
105.07021	0.6
108.02715	0.3
108.58884	0.4
115.05475	1.9
117.05767	0.9
127.33667	0.3
128.07083	0.5
132.08093	3.5
133.06483	0.4
142.06522	0.4
160.07591	100.0
161.07947	1.5
163.03918	0.8
177.10249	15.2
189.04356	0.3
253.11171	1.2
297.10214	0.9
315.11285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01869	1.2
56.76491	0.5
61.02929	0.5
64.27637	0.5
65.03947	2.3
67.05515	2.2
68.20728	0.5
69.07053	2.0
69.50301	1.1
69.50703	2.5
77.03935	0.6
79.05483	0.8
79.55865	0.5
81.03424	11.1
81.07050	0.6
91.05481	1.6
93.03402	1.4
94.04187	1.3
95.04990	0.9
98.20744	0.7
103.05503	0.6
107.04985	0.8
108.02104	2.1
109.02864	0.6
109.06535	1.7
111.04473	0.7
112.01628	0.7
115.05465	2.3
117.07024	1.5
122.03665	2.1
123.04424	0.7
125.06000	2.1
128.06227	3.2
129.06052	0.6
129.07013	10.5
131.04916	1.1
135.04411	0.5
137.05988	47.8
141.05472	1.8
143.04951	3.6
145.06480	2.5
146.03633	0.6
147.04524	0.4
147.08063	2.4
149.06018	1.1
151.03920	100.0
151.05029	8.2
153.05507	3.1
155.04926	0.8
157.06493	11.6
159.04364	0.7
160.05228	2.4
161.06033	2.2
161.09599	1.2
163.07584	0.7
165.05486	3.4
167.07013	0.8
171.04413	3.6
172.05121	0.9
174.06761	1.9
175.07561	5.3
176.04715	1.4
177.05530	1.3
177.09160	1.1
187.07521	2.5
188.04720	1.5
189.05548	0.9
189.09108	11.3
191.07013	7.7
191.08549	1.1
203.07047	29.7
204.07426	0.9
205.08633	7.0
207.08014	0.7
215.07132	2.3
218.07460	0.5
219.08102	1.9
221.08116	7.7
233.08076	7.3
234.06837	1.2
235.07516	0.8
243.06493	0.9
246.06749	0.9
247.07748	1.1
249.09142	1.1
261.09067	0.8
262.06454	0.5
263.07040	1.0
264.07657	0.9
265.08624	1.1
267.10263	0.9
271.06119	0.8
275.07114	0.7
277.08621	1.2
278.09595	0.7
279.10175	1.9
284.10498	0.6
286.08398	2.5
289.08582	1.1
292.07419	0.6
294.08829	0.7
295.09729	1.6
296.10443	0.7
306.08865	1.1
307.09702	3.7
309.11255	1.3
311.12790	2.0
312.09955	0.6
321.11172	5.1
322.12613	0.5
327.12296	10.8
339.12292	10.5
341.13089	0.5
345.13385	1.9
357.13339	10.1
375.14496	2.7
425.19659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03716	0.9
53.03951	11.3
54.29475	0.6
55.01868	3.2
55.05510	4.9
57.03445	5.2
57.07067	2.8
61.02919	2.2
62.09208	0.6
64.76770	0.7
67.05515	4.9
68.99798	4.9
69.03436	24.9
69.07074	7.5
69.34398	1.0
69.34800	4.9
70.06600	4.3
71.01358	1.1
71.04996	10.1
72.08173	1.7
79.05501	4.1
81.03426	50.4
81.07061	10.1
83.04977	2.4
83.08620	4.1
84.08148	2.4
85.02912	39.3
85.06541	1.3
86.09709	3.6
87.00843	9.7
87.04460	0.7
91.05484	3.9
93.07051	10.1
95.04986	2.1
95.08613	17.4
97.02896	10.2
97.06524	1.2
97.10187	3.7
99.04462	16.5
99.08092	1.6
102.58890	0.7
103.03932	1.1
103.05511	0.7
105.01855	1.9
105.07036	4.1
107.08595	13.3
109.02892	43.8
109.06554	0.9
109.10156	7.8
111.04462	3.8
111.08100	0.8
111.11729	0.9
116.07104	1.0
119.08569	4.2
121.10153	25.0
123.04437	0.7
123.08116	0.7
123.11703	6.6
125.02353	0.8
127.03925	100.0
129.01807	1.2
130.08630	1.9
131.08563	0.7
133.10127	3.0
134.06285	0.6
135.08076	0.8
135.11711	9.7
137.06027	0.9
137.13272	2.7
139.11224	1.2
145.04968	4.0
145.10144	1.5
147.02835	0.9
147.11737	1.5
149.13266	2.3
151.03888	2.7
151.14873	1.0
157.10135	0.8
159.11642	0.8
161.13258	0.9
163.14896	0.9
165.16362	2.5
173.09505	1.0
173.13318	0.9
175.14841	4.3
177.16411	22.4
195.17465	7.2
204.76791	0.7
213.03958	28.4
213.18478	1.1
231.05023	11.9
285.18610	0.7
311.28210	0.7
389.19485	1.1
407.20767	2.9
425.21790	1.5
443.16934	19.1
443.22888	2.8
443.29309	1.2
462.28790	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1919
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
50.77418	1.5
52.51807	1.5
53.03950	1.6
55.01897	1.7
55.66714	1.9
58.06602	3.8
66.92384	1.5
67.05515	4.2
69.03432	7.4
69.07069	3.0
70.06593	30.6
70.40206	1.9
71.05002	1.9
71.06933	3.9
71.52671	2.7
72.08152	4.4
73.02922	2.0
79.05486	4.6
81.03416	2.1
81.07063	3.4
84.04489	1.7
84.08157	3.5
85.02905	7.9
86.09705	5.4
86.57275	2.1
89.25832	2.1
91.05492	7.9
93.07050	7.6
95.04979	4.0
95.08604	2.0
96.48291	2.0
97.02892	4.4
97.06515	5.2
99.04457	2.8
105.03408	2.2
105.07030	8.2
107.08612	6.6
109.02866	4.5
109.06500	3.7
111.04462	6.2
112.07620	7.4
113.94207	1.6
115.05364	2.0
117.07058	3.4
118.06879	3.7
119.08559	10.9
120.08117	2.0
121.06532	5.2
121.10155	3.0
123.04437	3.2
123.08100	2.7
127.03908	4.4
127.08644	1.6
129.07021	2.6
129.10274	3.7
130.06534	2.3
131.08591	6.3
132.08182	1.9
133.06520	2.2
133.10136	2.2
135.08070	100.0
140.07098	3.9
141.07269	1.8
143.08585	5.2
144.09496	2.1
145.06509	2.9
145.10133	3.6
147.04414	2.3
147.08031	5.6
149.09627	3.7
151.07549	2.2
154.07753	2.1
156.09370	7.0
157.10126	3.7
159.08060	10.9
159.11703	15.2
160.07619	20.2
161.05975	3.3
161.09654	4.0
165.80655	1.7
169.10109	2.6
171.11658	5.0
172.08827	8.9
173.09686	19.7
175.11246	3.0
177.05481	4.8
184.08859	2.0
187.11220	52.1
187.12836	3.6
189.12761	2.4
193.04990	3.8
195.01031	2.2
199.11218	11.8
203.10637	15.7
212.08395	2.4
215.10724	34.8
217.12320	8.0
227.10716	8.1
233.11752	65.2
245.11774	37.5
263.12823	43.8
263.15628	2.3
281.14249	1.9
303.05219	4.4
304.05304	2.5
340.01144	2.2
408.58862	2.0
426.15668	2.7
443.13101	2.1
443.22678	2.8
468.92047	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	443.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89469	0.5
54.03479	2.9
55.04258	2.8
56.96567	1.9
57.03433	0.6
58.06611	0.7
59.44836	0.5
61.02913	1.0
69.03420	2.4
69.51698	2.1
69.52106	1.2
70.02951	0.6
70.06587	0.9
80.05018	1.1
81.03421	1.5
81.04546	21.1
82.05331	8.9
82.06571	0.7
84.08153	1.0
84.96023	0.6
85.02918	3.7
97.02905	2.2
98.20690	0.7
98.97610	1.2
99.04449	0.6
108.05595	1.3
109.02886	0.8
110.07189	1.4
114.03737	0.7
122.07162	100.0
123.07943	93.2
126.03756	0.6
127.03947	1.3
128.07095	2.1
136.06204	2.5
144.04765	1.0
146.05977	0.8
151.03957	0.9
160.04242	1.5
160.07603	5.2
163.03912	3.4
165.07751	3.1
172.04266	2.2
201.05486	1.0
201.10289	0.6
213.10286	0.6
217.04976	1.1
221.04506	2.0
231.11247	1.1
233.04543	1.2
239.03510	0.6
239.42383	0.6
247.06007	1.7
253.11179	2.7
259.05829	1.1
271.05997	0.7
271.12222	2.2
273.07532	0.7
275.05585	2.7
281.10696	55.8
287.05524	1.5
293.06625	1.3
297.10092	1.7
299.05450	1.2
301.07220	1.1
305.06613	0.8
311.07727	1.0
315.11127	0.9
317.06427	0.9
323.11615	0.7
329.06308	0.9
341.06757	0.6
347.07690	2.1
359.07541	2.0
365.08600	0.7
377.08377	0.8
389.08673	1.1
393.16690	1.2
425.10773	1.0
443.16000	96.1
444.16147	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14609	1.1
53.03949	6.3
55.01877	6.6
55.05524	1.9
57.03439	4.5
61.02924	6.3
67.05505	1.7
67.87077	1.0
68.99788	3.5
69.03091	1.5
69.03437	23.3
70.06590	2.5
71.04291	2.6
71.04987	3.6
73.02930	5.9
73.99300	1.1
77.03889	1.1
77.09554	1.2
78.04712	1.7
79.05489	6.4
81.03429	19.3
81.07054	2.3
83.04967	2.2
85.02913	46.6
87.00837	21.0
87.04484	1.5
91.03940	2.1
91.05476	7.7
93.07049	3.3
95.04965	3.1
97.02905	32.2
97.06538	1.5
98.61089	1.3
99.04459	8.4
103.03934	2.1
103.05486	1.6
105.01865	13.5
105.07018	5.0
106.04197	1.3
107.04208	2.0
107.04963	41.5
107.08593	2.4
109.02892	18.4
109.06527	1.5
109.10180	1.7
115.03945	3.7
115.05446	6.1
117.01820	2.0
117.07042	2.8
119.08588	3.4
121.06504	1.8
123.04436	8.0
124.05254	1.7
127.03927	25.1
129.01859	2.2
129.06993	3.7
131.08574	5.8
132.05676	1.7
133.06487	1.9
133.10109	1.3
135.08049	11.7
135.11702	1.1
137.05989	2.0
140.71643	1.2
141.07057	1.6
143.04936	2.4
144.05696	3.6
145.04973	9.3
145.06516	2.5
145.07587	1.8
147.02916	1.4
147.04442	1.9
147.08032	5.8
149.05962	2.1
151.03925	2.1
152.04678	2.1
156.31708	1.1
157.06432	1.5
159.02959	9.9
159.08066	6.3
161.05943	1.4
161.09663	1.8
163.07561	37.6
165.09128	8.5
167.07057	100.0
172.05229	1.9
173.05981	2.2
175.04047	1.2
175.07571	9.2
177.05507	1.9
179.08827	1.5
180.07816	1.7
181.05016	3.1
187.07538	14.2
189.09163	2.0
190.06305	1.8
192.07832	3.6
193.08856	1.2
195.10191	65.1
197.09558	2.0
201.09081	3.1
203.07016	1.7
204.07838	2.3
205.08643	9.6
206.09496	2.2
207.06493	1.3
207.10216	22.9
210.06914	1.5
215.06903	1.2
219.08234	1.8
219.10175	7.0
221.11699	5.2
225.09261	2.6
227.07182	1.3
229.08615	1.8
231.05025	3.7
231.10219	1.9
235.09610	3.9
237.11252	4.8
243.10213	3.0
247.09666	2.5
247.50571	1.1
249.11194	3.4
253.08707	2.0
257.11816	1.5
261.11227	1.6
275.13022	1.4
277.23517	1.3
283.88968	1.3
285.11053	2.8
303.12332	9.8
321.13391	3.3
339.12283	1.4
443.13095	1.5
443.26031	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.2
55.01875	4.0
55.05507	12.8
56.05052	3.6
65.03939	3.2
67.05519	19.1
69.03423	4.7
69.07059	8.0
70.06603	3.6
71.04999	4.1
71.07355	8.3
71.52643	3.7
71.53055	2.7
72.08167	56.1
79.05505	27.2
79.96215	3.1
80.06274	5.4
80.82000	3.2
81.07069	39.5
83.88480	3.3
87.04459	2.8
91.05492	46.8
93.03449	3.9
93.07046	35.5
95.04985	7.5
95.08611	13.8
105.07048	20.8
107.05032	3.5
107.08631	15.3
108.05737	8.3
109.06528	10.6
109.10171	9.6
113.08486	4.0
117.07013	8.4
117.70224	3.1
119.04961	36.4
119.08584	10.8
121.10142	5.5
121.80786	2.9
123.11696	15.4
126.09131	3.3
128.06216	3.4
129.07050	5.3
131.04951	5.3
131.08565	10.9
133.10120	7.5
137.06001	40.1
137.13281	3.4
138.75189	3.2
139.09938	3.8
140.10815	2.7
143.04863	3.7
145.06523	3.3
145.10133	8.6
146.05972	7.3
147.11674	9.1
149.13269	6.6
150.09174	7.7
151.07596	17.7
152.06097	3.3
159.07994	2.9
161.06024	5.9
163.07558	6.8
164.10710	7.6
165.07033	4.6
165.09151	49.1
166.07988	4.3
166.09450	15.4
167.08620	5.1
169.06459	3.4
174.06804	4.9
175.07489	7.7
176.10632	4.9
178.07776	3.6
179.07076	15.8
179.13060	25.6
181.06458	7.2
181.10176	4.9
183.08052	4.9
187.07578	10.1
189.09116	5.9
189.16383	4.0
191.17853	3.1
195.08052	11.1
197.05905	3.2
199.07622	3.5
201.09102	6.8
207.08046	4.1
208.13329	48.4
208.15117	5.0
209.09651	8.3
211.07439	3.9
212.08388	4.5
213.09171	9.3
215.10597	4.5
217.12309	4.5
225.09137	8.1
226.09967	4.0
226.14436	9.5
227.10747	17.8
230.15401	6.7
235.11322	5.0
239.10707	5.4
241.12222	18.4
242.12961	3.7
244.17113	4.4
245.17760	11.5
246.18587	24.0
251.10843	3.3
253.12216	6.6
265.12256	4.0
267.13873	14.3
268.17111	13.8
281.15314	5.7
307.16840	7.2
309.14868	12.2
335.16351	7.8
380.22162	22.0
406.23843	14.4
424.24884	100.0
442.33496	3.7
442.38547	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	442.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55202	0.7
51.02075	0.7
53.03941	1.3
55.05508	1.9
58.06600	8.0
59.05003	3.3
61.02916	0.7
63.11766	0.8
67.05511	11.7
68.02662	1.0
69.03445	1.6
69.07068	2.4
70.01424	2.8
70.06596	29.9
71.05005	1.4
72.08143	0.9
75.23373	0.7
79.05500	50.2
81.03412	1.3
81.07063	13.1
85.02898	4.8
85.05276	0.8
88.07640	19.1
91.05489	25.7
93.07057	8.6
95.04966	7.4
95.08595	2.1
97.02879	1.7
97.06534	1.9
98.06056	1.4
105.06320	0.8
105.07040	30.5
106.08682	7.0
107.04949	3.9
107.08602	41.2
108.08942	0.9
109.03017	0.9
109.06516	1.6
112.84035	0.9
116.05287	0.8
117.07003	1.9
117.09144	0.9
119.08597	10.4
121.10154	1.0
129.07016	3.6
131.08586	6.3
133.06509	2.1
133.10156	11.6
137.09550	1.0
142.07819	1.1
143.08533	0.9
145.10129	2.1
147.08076	3.9
147.10509	1.6
147.11702	30.6
149.13306	2.1
155.09393	4.0
157.06499	1.1
157.10124	2.1
161.05882	0.9
165.09114	10.3
166.09486	7.4
175.11185	7.9
187.03819	0.9
204.13832	1.8
209.57399	0.8
244.16962	5.8
262.18054	28.6
280.19095	100.0
281.19443	1.3
345.05786	1.8
346.06793	1.2
380.22256	1.1
390.62537	0.8
406.19974	1.3
424.21329	1.4
435.62164	0.8
442.34116	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	442.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	0.4
68.05009	0.8
69.07065	0.4
69.25063	2.5
70.06207	0.4
70.06595	7.5
72.08153	0.3
73.69260	0.3
79.05489	0.9
80.05032	1.7
81.07056	1.8
82.06573	0.9
91.05469	0.7
94.06581	0.4
95.08601	0.4
96.08125	0.5
102.04706	0.6
103.05478	3.1
105.07037	4.1
106.06556	2.1
107.07318	1.1
108.08115	1.5
109.59084	0.2
114.05506	1.5
115.05434	1.5
116.07098	11.0
117.07007	1.0
118.04179	2.4
124.07643	0.3
130.04166	2.2
131.04036	0.5
131.04938	6.8
132.05728	1.4
133.06512	4.9
135.04370	0.3
140.07059	0.3
143.04852	0.3
143.06067	0.3
145.06445	1.4
146.03600	0.7
147.04434	0.8
147.08041	0.5
148.05220	2.1
149.05992	0.6
152.07068	1.2
160.05228	0.9
161.06001	9.7
167.07053	6.3
172.11234	0.5
173.05995	2.8
175.03909	0.4
175.07701	0.5
176.04683	5.3
177.05463	0.8
178.06264	0.8
190.04942	0.4
191.07040	34.6
192.07860	1.2
193.08603	2.1
200.10728	1.4
202.08586	0.3
205.08582	0.5
207.10112	0.3
214.12062	0.2
216.10132	0.5
218.08163	0.8
218.11905	0.4
228.10197	0.7
232.09666	1.0
233.08174	0.4
244.09709	0.4
245.10451	0.8
246.11324	2.1
248.09177	0.5
251.09177	0.5
260.12842	1.1
261.13504	0.3
262.10703	0.5
262.14282	0.4
274.10907	0.4
276.08612	0.7
290.10220	4.1
291.10980	1.0
306.13358	100.0
307.13657	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
54.57907	0.9
55.05506	4.0
67.05516	5.7
69.03445	1.3
69.35912	3.2
69.36331	4.5
70.06594	3.0
71.07384	2.9
72.08163	29.1
79.05506	13.3
81.03435	3.0
81.07047	2.7
85.02907	2.1
91.05491	14.4
95.04983	2.0
95.08607	2.5
97.02905	0.9
98.06049	1.0
98.20705	1.8
103.05448	5.5
105.07040	100.0
107.04986	1.7
107.08588	1.4
115.05498	2.2
116.06231	0.9
117.07030	34.8
119.08601	8.8
121.10151	1.0
121.54776	0.8
124.07569	1.7
128.06210	1.1
129.07005	5.7
130.07840	1.4
131.07597	1.5
131.08583	28.3
131.84317	0.8
139.09946	6.8
140.10707	1.1
143.08582	1.0
143.25987	0.9
144.05719	2.6
145.06490	6.5
145.10141	35.9
145.23343	1.0
147.11699	12.6
152.10664	1.6
155.08600	2.6
158.07303	1.7
173.09647	27.9
216.17523	1.0
244.16992	74.3
245.17339	1.3
262.18008	13.4
280.19153	2.0
340.38177	1.0
442.17749	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	442.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
56.05023	0.8
58.06596	0.6
68.05050	0.7
69.03430	5.1
69.37856	2.8
69.38280	2.2
70.06596	66.6
71.04986	1.6
72.08148	2.8
74.06080	1.0
74.09717	1.0
78.03448	2.9
79.05487	1.0
81.03415	3.9
82.06575	1.3
84.04500	0.7
84.08146	18.7
85.02900	3.3
86.09702	2.7
87.04517	0.6
91.05482	0.8
97.02903	2.9
97.06509	0.7
99.04501	0.7
100.07611	0.8
106.02925	10.7
107.04962	0.7
109.02875	2.6
110.07189	0.8
111.04353	0.6
113.09628	1.4
114.05528	1.0
116.07099	100.0
118.08698	1.1
119.04926	0.8
119.07327	1.1
124.03960	23.5
125.58764	0.7
127.03929	3.1
128.07104	2.2
129.10255	1.7
130.08649	3.6
137.05980	1.7
139.07535	1.1
147.04417	1.3
148.04698	0.7
151.07573	1.3
157.08542	0.8
161.37526	0.7
163.03931	2.8
167.07005	0.7
204.01064	0.6
210.16525	0.7
215.14043	0.6
250.07115	4.4
252.88626	0.7
256.11826	3.5
268.08179	17.3
274.12866	5.1
278.69604	0.8
280.15585	0.7
299.13678	0.9
315.13437	1.5
382.02957	0.8
442.16092	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	442.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
56.05023	0.8
58.06596	0.6
68.05050	0.7
69.03430	5.1
69.37856	2.8
69.38280	2.2
70.06596	66.6
71.04986	1.6
72.08148	2.8
74.06080	1.0
74.09717	1.0
78.03448	2.9
79.05487	1.0
81.03415	3.9
82.06575	1.3
84.04500	0.7
84.08146	18.7
85.02900	3.3
86.09702	2.7
87.04517	0.6
91.05482	0.8
97.02903	2.9
97.06509	0.7
99.04501	0.7
100.07611	0.8
106.02925	10.7
107.04962	0.7
109.02875	2.6
110.07189	0.8
111.04353	0.6
113.09628	1.4
114.05528	1.0
116.07099	100.0
118.08698	1.1
119.04926	0.8
119.07327	1.1
124.03960	23.5
125.58764	0.7
127.03929	3.1
128.07104	2.2
129.10255	1.7
130.08649	3.6
137.05980	1.7
139.07535	1.1
147.04417	1.3
148.04698	0.7
151.07573	1.3
157.08542	0.8
161.37526	0.7
163.03931	2.8
167.07005	0.7
204.01064	0.6
210.16525	0.7
215.14043	0.6
250.07115	4.4
252.88626	0.7
256.11826	3.5
268.08179	17.3
274.12866	5.1
278.69604	0.8
280.15585	0.7
299.13678	0.9
315.13437	1.5
382.02957	0.8
442.16092	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	442.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
55.05505	0.3
56.96560	0.3
58.06605	1.2
61.02919	0.3
67.04260	1.2
69.03425	0.8
70.06590	0.7
71.51019	0.3
71.51386	0.3
81.03422	0.4
82.06589	18.7
83.07400	0.3
84.08144	1.1
85.02927	1.5
85.99526	0.2
91.05507	0.3
95.04959	0.3
97.02908	0.5
98.97598	0.4
99.69642	0.3
100.07624	5.9
109.14295	0.3
114.05590	0.4
115.20245	0.2
119.05040	0.3
120.08103	0.4
121.02849	0.3
123.04472	0.5
124.03934	0.7
126.05508	0.5
128.07092	100.0
129.07376	0.5
129.60808	0.3
135.04466	0.4
137.06001	0.5
138.06320	0.4
139.03896	0.3
142.08643	1.1
145.02855	0.4
147.04445	0.4
155.04980	0.2
160.07596	0.4
163.03926	1.0
166.08759	0.3
168.06621	0.6
177.05550	0.5
184.37553	0.2
187.96161	0.3
188.09154	1.9
207.02966	0.9
208.03249	1.0
214.05132	0.3
216.03831	0.5
220.03244	0.4
225.03879	0.4
226.04309	0.4
233.04504	1.1
234.04819	1.2
244.03113	0.3
246.04912	0.5
248.06483	0.5
249.04031	0.3
250.04448	0.4
257.04520	0.5
258.04871	1.1
261.03983	1.3
262.04300	2.7
268.03357	0.3
272.06546	0.4
273.03845	0.4
273.07471	0.5
274.04361	0.8
275.05396	0.7
276.05850	1.7
278.10410	0.3
286.04376	0.9
286.12811	0.4
288.79089	0.3
296.11392	0.9
297.10156	0.3
300.06052	0.3
303.05069	0.5
304.05301	1.6
309.06146	0.7
310.06470	2.7
314.12329	2.1
320.09241	0.3
328.05386	0.3
332.13416	8.2
339.07367	0.5
340.07452	1.2
346.06509	0.9
363.07062	0.9
364.07440	5.0
376.07635	1.4
388.07590	1.7
394.08167	0.4
396.16830	0.7
406.08853	1.2
424.09537	0.9
442.17148	20.8
443.17365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47519	0.8
53.34967	0.8
55.01876	5.9
57.05827	1.7
58.06601	2.1
58.57623	0.8
65.03965	1.2
66.92162	0.8
68.05055	1.1
68.53683	0.7
70.06599	9.2
70.26785	1.6
70.27147	2.8
73.02926	1.5
78.03468	1.2
81.03420	1.8
82.06593	2.5
84.08147	5.9
85.02914	2.4
88.03997	9.6
93.03410	6.8
95.05021	1.0
106.02923	5.1
107.05007	1.1
114.05536	1.1
121.02874	7.7
124.03958	6.3
124.07638	1.4
128.07085	9.0
145.02844	1.4
147.04434	1.1
149.05984	1.5
151.03969	1.6
151.07625	1.0
161.02406	1.0
163.03970	2.4
171.04454	1.0
175.03868	0.9
177.05545	3.3
179.03389	1.0
187.03935	1.8
189.05585	1.4
191.07115	1.0
192.06583	1.0
193.04929	1.4
195.06490	1.1
201.01825	1.0
203.03418	5.6
205.04990	5.0
207.02876	1.6
213.05534	1.3
215.03433	0.9
217.05022	2.7
219.02893	7.4
219.06598	2.8
221.04524	4.2
221.07980	1.2
227.03444	1.7
229.04967	2.2
231.02852	7.4
231.06572	1.5
233.04529	3.6
234.07698	0.9
235.06073	3.5
236.09200	1.1
241.05066	1.1
242.08029	1.3
243.02737	1.3
243.06544	1.3
245.04485	12.2
245.06834	1.2
247.06120	5.7
249.04024	2.2
250.07422	1.1
250.10826	3.0
255.03040	2.8
257.04407	1.1
258.07724	1.3
259.06116	3.3
260.09235	2.0
261.04144	1.0
261.07712	2.7
263.05545	2.5
265.07059	0.9
268.08282	2.6
269.04391	2.3
271.06076	2.5
273.03943	9.6
274.07068	1.2
276.08682	11.1
277.07129	1.1
278.10172	4.2
280.08105	0.9
287.05585	3.4
289.07098	2.9
290.10287	3.7
291.04984	4.2
296.11404	3.0
297.04071	1.6
301.06949	1.1
302.10324	1.2
305.09000	1.9
311.05432	1.1
315.05048	3.3
318.09830	3.0
322.09244	22.9
332.11392	2.2
333.06122	2.9
336.10852	5.1
347.07748	1.0
351.09564	2.2
360.10849	3.4
364.10281	5.1
378.11902	13.8
380.13336	1.9
382.11383	11.7
393.08231	1.8
396.13226	1.1
406.11237	4.7
424.12402	100.0
425.12909	1.2
442.13519	69.8
443.14096	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05500	2.4
57.07071	0.8
67.05516	3.7
69.07077	4.9
69.18007	7.5
79.05502	1.2
81.07065	6.9
83.04964	1.3
83.08637	1.7
91.05498	1.5
93.07065	4.5
95.08618	10.4
97.06540	1.0
97.10172	0.7
98.20747	1.7
105.07046	3.4
107.08610	9.1
109.10169	6.1
119.08598	4.2
121.06539	1.5
121.10166	7.1
123.08072	1.2
123.11740	4.9
125.13264	1.1
131.08565	1.4
133.10138	5.3
135.08075	4.4
135.11685	4.0
137.13263	2.5
142.61620	0.7
145.10139	1.9
147.11668	3.8
149.09624	7.2
149.13258	3.1
151.11209	0.8
159.11713	1.9
161.13266	2.9
163.11165	1.9
171.11671	0.7
173.13277	1.6
175.14796	1.5
177.16368	1.5
187.14873	1.0
189.16405	2.9
199.14809	0.6
201.16383	0.9
215.17995	1.2
233.19002	1.6
235.17020	2.2
243.21097	1.3
269.22833	0.8
280.67291	0.7
287.23715	2.9
407.73615	0.7
423.36469	2.0
441.37329	100.0
442.37778	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	441.3732
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03935	1.5
55.05504	8.0
57.07073	4.0
67.05183	2.0
67.05514	23.6
69.07074	35.6
71.05000	10.2
77.98053	1.1
79.05502	11.6
81.07061	61.8
82.23557	1.0
83.01656	1.3
83.08607	6.7
85.06538	3.2
91.05493	10.5
93.07055	21.3
95.04983	1.9
95.08615	43.4
97.06532	1.9
97.10169	3.6
98.21543	2.1
99.08098	2.2
105.07047	17.3
107.08610	32.8
109.06519	1.4
109.10165	100.0
111.08096	2.7
111.11745	2.8
117.07021	3.7
119.08576	14.8
121.06540	1.7
121.10162	20.6
123.08064	1.7
123.11718	17.2
124.29787	1.1
125.09636	4.9
127.11202	50.8
129.06989	1.9
131.08571	5.7
133.10129	16.7
135.08060	3.9
135.11723	14.7
137.13249	6.6
139.11163	1.7
143.08559	4.1
143.10654	7.5
145.10132	11.9
147.11694	11.9
149.09621	2.9
149.13274	15.5
151.11089	1.5
157.10127	4.3
159.11711	9.9
161.09436	1.1
161.13269	10.5
163.11267	2.1
163.14839	4.7
165.12752	1.8
171.11737	4.2
173.09532	1.2
173.13272	8.1
175.14839	11.9
177.12830	1.5
177.16356	3.9
183.11743	2.0
185.13272	5.7
187.14795	5.0
189.16379	4.1
191.14366	1.9
191.17996	3.1
193.15857	3.1
197.13292	1.6
199.14818	3.8
201.16393	4.0
203.14354	2.6
203.17902	5.8
205.19623	2.4
213.16377	5.1
215.17928	3.3
217.19614	1.9
227.17897	3.5
229.19427	4.0
231.17462	3.0
231.21135	1.8
237.28166	1.2
241.19530	2.2
243.21117	1.6
249.18480	2.5
253.19371	1.3
255.21106	2.0
267.20886	1.3
269.22687	1.7
281.22556	1.5
282.59744	1.3
283.24100	1.6
287.23669	1.9
309.25607	1.3
337.28833	2.5
341.28528	1.6
355.30185	1.6
405.34961	6.0
423.36267	17.5
440.77640	1.2
441.37347	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	441.3734
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03940	6.5
55.05510	24.4
57.07072	8.3
59.41357	3.2
64.81721	3.2
65.03919	4.5
67.05514	39.7
67.15244	3.4
69.03416	9.5
69.07079	42.2
70.69520	9.5
71.04984	16.0
71.08621	4.6
79.05501	36.4
81.07067	87.6
83.04962	4.4
83.08636	20.5
85.06542	7.9
91.05476	25.2
93.06492	5.1
93.07048	67.5
95.08619	95.7
97.06509	5.4
97.10161	10.8
99.08109	7.9
105.07046	53.1
107.08607	96.3
108.83360	3.5
109.06521	5.7
109.10169	100.0
111.08065	5.0
117.07024	8.1
119.08589	62.4
121.10152	75.4
123.11716	39.8
125.09641	17.4
127.11208	18.9
131.08563	19.9
133.10139	49.0
135.11707	53.8
137.09630	8.5
137.13234	16.1
139.11211	5.2
141.72437	3.3
143.08540	9.9
145.10138	32.5
147.11717	48.1
149.09648	9.1
149.13260	39.3
150.09967	9.6
153.12726	4.2
155.10660	3.7
157.10149	12.0
159.11713	41.0
161.13280	33.4
163.13641	3.8
163.14850	15.8
165.12769	6.3
171.11720	10.7
173.13298	23.0
175.14812	25.5
177.12807	3.9
177.16393	16.8
185.13274	11.0
187.14801	24.7
189.16417	23.0
191.17989	17.5
193.15909	9.6
199.14816	15.0
201.16431	19.0
203.17938	11.2
211.14928	5.5
211.16853	5.0
213.16449	12.6
215.17944	20.3
217.19594	8.9
219.17438	8.2
225.16310	5.2
227.17969	15.2
229.19501	15.4
231.21010	8.3
233.18915	5.5
241.19452	7.2
255.21138	6.2
257.22537	7.3
269.22705	5.6
271.24066	4.7
273.22049	5.1
281.22583	4.8
283.24200	10.0
287.23792	3.8
300.44019	3.9
301.25107	8.0
337.28888	6.9
355.29800	8.6
399.94284	3.9
405.35083	6.1
423.36139	73.5
441.31656	6.1
441.37338	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3732
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03941	3.4
55.01862	2.9
55.05515	17.7
57.07076	8.1
67.05509	31.9
69.07075	38.1
70.92303	5.6
71.05003	12.8
71.08601	3.4
79.05502	28.8
81.07068	78.3
83.08649	16.0
85.06549	5.0
91.05484	29.4
93.07052	73.2
95.05009	3.3
95.08613	100.0
97.06535	7.6
97.10159	4.5
99.08098	3.0
105.07049	47.8
107.08604	85.9
109.10171	70.4
111.08125	4.3
117.07037	6.0
119.08598	46.5
121.10152	74.0
123.08080	6.5
123.11723	26.2
125.09644	8.0
127.11199	15.0
131.08592	17.5
133.10144	45.6
135.11708	62.5
137.09634	6.5
137.13287	8.0
143.08633	6.9
145.10138	31.6
147.11703	54.8
149.13275	34.1
151.11205	7.9
153.12776	8.8
157.10143	9.3
159.11716	26.1
161.13280	23.9
163.14880	11.2
165.12799	5.5
171.11728	7.7
173.13286	17.2
175.14854	21.6
177.16411	37.6
182.41736	2.8
185.13307	7.6
187.14856	25.6
189.16418	10.9
191.17967	7.5
193.15942	5.5
197.13350	3.3
199.14827	7.5
200.06230	2.7
201.16348	16.9
203.17976	29.4
205.15820	4.8
213.16467	7.8
215.17973	16.8
217.19601	7.4
227.17986	11.7
229.19530	7.4
233.19070	14.9
241.19392	3.3
245.19057	5.0
253.19627	2.7
255.21043	5.8
257.22641	3.6
269.22675	5.6
283.24323	7.6
287.23660	2.8
307.24005	3.2
323.27347	8.2
337.28760	5.8
341.28336	25.3
359.29541	24.1
367.29868	5.6
385.30936	4.3
405.35352	18.8
423.36310	49.8
441.37305	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3731
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03936	4.8
54.50546	3.8
55.05501	15.5
57.07056	7.3
63.97854	4.2
64.67545	4.1
67.05507	40.8
69.07077	38.3
69.51236	18.3
69.51665	10.7
71.04990	13.5
78.37246	4.2
79.05508	27.8
81.07061	100.0
83.04997	4.7
83.08629	20.1
85.06561	6.5
91.05495	30.4
93.07059	77.1
95.04986	5.8
95.08620	91.2
97.06527	7.1
97.10172	12.2
105.07043	53.3
107.08608	83.3
109.10164	95.0
115.33408	3.8
119.08594	52.3
120.16925	4.5
121.10165	52.9
123.11723	28.1
125.09627	7.3
127.11195	16.9
129.07018	4.9
131.08594	20.0
133.10133	47.5
135.11697	51.2
137.13254	9.9
143.08601	8.4
143.10686	4.7
145.10138	33.7
147.11685	46.0
149.13275	30.8
151.14859	4.9
157.10181	11.0
159.11678	24.9
161.13271	23.4
163.14827	16.5
165.12769	5.6
171.11674	10.4
173.13228	23.3
175.14847	27.3
175.16080	4.5
177.16364	11.7
177.45445	4.2
179.14249	4.5
179.53484	6.3
185.13350	7.7
187.14874	13.3
189.16406	13.6
191.17900	7.6
193.15955	10.6
199.14792	10.6
201.16379	23.7
203.17932	29.1
213.16472	7.9
215.17960	13.6
217.19600	10.2
227.18022	9.6
229.19504	9.5
243.21100	5.5
255.21034	6.4
257.22672	8.6
271.24197	8.7
281.22736	4.7
283.24197	11.9
341.28348	5.1
359.29688	4.6
367.29666	5.0
397.13571	4.7
405.35175	9.2
423.36362	48.1
441.37286	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05523	15.5
56.83551	2.2
57.07074	7.4
63.57215	2.2
67.05508	27.9
69.07072	66.6
71.04999	3.9
71.08627	2.9
79.05505	15.8
81.07062	100.0
83.08607	12.7
91.05513	11.8
93.07053	20.7
95.04993	3.9
95.08611	62.6
97.10172	6.7
99.08116	10.8
103.95628	2.1
105.07042	16.8
107.08611	25.9
109.06535	3.0
109.10168	37.6
111.08105	4.8
111.11711	2.6
113.09633	2.7
113.22902	2.2
117.07018	6.2
119.08607	16.3
121.10143	22.7
123.11703	23.3
127.07584	5.7
129.48250	2.3
131.08568	12.6
133.10146	14.6
135.11673	14.0
137.09636	2.8
137.13274	10.9
143.08519	5.6
145.10098	16.7
147.11694	12.2
149.09560	3.0
149.13266	13.6
155.08656	2.7
155.10703	2.5
157.10138	13.2
159.11752	8.9
161.09564	3.7
161.13278	11.9
163.11192	5.8
163.14874	3.7
164.36781	2.1
164.54413	2.4
165.12813	3.1
171.11687	6.6
173.13310	8.5
175.11107	3.1
175.14830	4.9
185.13252	7.8
187.14883	7.1
189.16325	3.2
199.14816	5.9
201.16487	6.4
205.15863	3.1
211.14787	3.1
213.16454	8.2
215.18001	3.8
225.16435	3.8
227.17986	5.7
241.19598	2.3
243.17561	3.5
245.19022	6.8
255.21269	3.6
261.18442	3.8
269.22787	2.6
271.24100	3.0
287.23718	3.7
337.28958	4.4
355.29852	3.6
367.29547	2.6
404.28522	2.8
423.36279	28.1
441.37473	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23304	16.2
67.05502	34.2
69.07037	33.1
70.59978	35.3
70.60352	34.4
75.77437	14.5
81.07056	100.0
91.05525	28.1
93.07026	70.4
95.08604	76.6
105.07009	48.5
107.08611	76.7
109.10144	74.1
110.25163	17.2
112.07632	19.7
119.08586	33.0
121.10148	33.6
127.11167	25.6
131.88306	19.8
133.10155	37.3
135.11678	55.2
137.71881	18.5
145.10066	22.6
147.11687	40.9
149.13278	22.8
159.11682	28.2
173.13257	17.1
177.16510	24.3
189.16357	22.4
217.19598	18.1
227.18169	18.6
259.36273	16.1
348.83139	16.7
373.97983	18.5
418.03745	19.0
420.70813	20.5
423.36414	25.8
441.37177	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
51.86464	2.2
53.03948	3.2
55.01865	2.4
55.05516	20.4
57.07077	7.2
59.05005	4.2
67.05508	41.6
69.03423	3.9
69.06731	3.4
69.07079	49.2
70.96244	5.6
71.04995	12.9
79.05494	22.9
81.07064	86.8
83.04982	4.5
83.08620	11.3
85.06552	9.8
90.48865	2.4
91.05479	28.8
93.07050	71.3
95.04956	5.0
95.08614	85.3
95.29376	2.9
97.06542	10.8
97.10178	8.9
99.08123	6.2
105.07038	54.4
107.08598	96.6
107.47266	2.4
109.06520	5.8
109.10165	100.0
111.08107	5.2
111.11745	7.1
117.07018	4.9
119.08587	55.7
121.10155	68.3
123.08066	12.9
123.11713	33.3
125.09639	12.4
127.11210	19.5
131.08588	15.3
133.10144	48.7
135.08025	3.6
135.11699	69.4
137.09624	11.0
137.13248	12.9
139.11205	5.3
139.43071	2.4
143.08585	7.8
145.10133	29.7
147.11705	45.9
149.09677	4.7
149.13271	31.3
153.12756	8.6
157.10143	9.2
159.11710	32.6
161.13278	29.4
163.14880	15.8
165.12775	7.5
171.11682	6.8
173.13295	19.9
175.14845	27.3
177.12788	5.1
177.16417	14.3
183.11711	4.4
185.13303	6.9
187.14795	16.0
189.16389	23.4
191.14426	4.1
191.17914	16.7
193.15878	12.3
195.06596	6.9
199.14865	7.9
201.16396	16.9
203.18001	15.3
207.17506	4.0
211.14746	2.9
213.16446	6.6
215.17976	18.2
217.19505	11.2
219.17421	3.2
227.17987	9.3
229.19508	11.1
229.58188	2.5
231.21031	3.6
233.19051	7.7
243.20985	4.4
247.20631	5.5
255.21028	5.9
257.22723	5.4
269.22583	4.3
271.24216	4.9
281.22580	2.7
283.24225	8.2
287.23627	3.1
297.25870	3.3
299.23633	4.6
301.25089	6.7
383.22739	2.8
405.35208	8.0
423.36258	63.3
441.37259	80.8
467.61166	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	441.3732
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
51.25275	2.5
53.03941	4.1
55.05527	15.9
57.07073	8.3
67.05238	2.7
67.05523	24.9
67.90846	2.4
69.03449	3.6
69.07082	32.6
69.19192	23.9
71.05011	18.0
79.05508	16.1
81.07071	74.3
83.08640	15.6
85.06560	8.1
91.05495	12.3
93.07062	46.6
95.05022	3.3
95.08626	72.3
97.06541	3.7
97.10169	9.2
99.08102	8.7
105.07056	41.5
107.08615	71.8
109.10175	79.8
111.08103	3.1
117.07033	4.8
119.08603	48.7
119.88177	2.7
121.10168	46.0
123.08109	3.0
123.11729	31.6
125.09652	14.8
127.07573	6.2
127.11217	21.8
129.07014	2.7
131.08621	14.2
133.10161	36.3
135.11731	37.2
137.13274	10.6
139.11163	4.9
142.07739	4.2
143.08589	9.5
143.10699	16.4
144.09389	3.1
145.10155	31.5
147.11725	38.2
149.02362	2.6
149.13290	26.4
153.12724	9.1
157.10152	11.6
159.11723	31.1
161.13287	27.9
163.14835	12.7
171.11688	7.4
173.13255	21.8
175.14850	20.4
177.16365	8.2
183.11781	4.1
185.13271	13.4
187.14836	22.3
189.16367	15.2
191.17892	13.4
193.15955	6.2
197.13181	3.5
199.14838	10.5
201.16504	13.5
203.18008	10.0
211.14827	3.3
213.16422	10.8
215.18051	13.1
217.19572	5.4
221.22746	2.7
225.16498	3.4
227.18034	13.1
229.19531	14.4
231.21117	6.8
233.19066	3.8
241.19589	7.9
241.48155	2.6
253.19482	3.6
255.21121	6.5
257.22717	12.5
265.45584	2.7
271.24359	3.7
281.22498	3.6
283.24268	19.6
285.25793	9.8
300.44937	2.7
301.25262	4.6
337.28854	6.6
351.30505	3.2
400.97437	3.2
405.34891	5.9
423.30807	5.5
423.36276	66.7
441.37338	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3733
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03960	2.7
53.64248	1.9
55.05519	23.8
57.07077	11.7
58.06590	2.1
58.50612	2.0
59.04999	2.0
59.53048	2.1
64.33740	2.3
67.05514	39.4
67.05875	2.6
69.07078	41.5
69.20410	8.9
69.20842	12.7
71.04998	19.0
72.32335	2.1
79.05503	25.6
79.20271	2.2
81.07066	100.0
83.04989	3.5
83.08634	12.4
85.06537	2.6
91.05486	25.5
93.07055	63.5
95.04956	2.2
95.08619	82.6
97.06575	3.9
97.10177	9.0
99.08102	6.8
105.07044	48.5
107.08608	74.2
109.06504	6.0
109.10172	78.7
111.08105	4.4
111.11723	7.3
115.05527	2.6
117.07040	9.3
119.07800	4.3
119.08596	38.7
119.09422	1.9
121.10160	52.3
123.08078	4.0
123.11729	34.0
125.09647	11.1
127.11204	18.8
129.07053	2.4
129.09164	2.1
131.08601	18.3
133.10127	36.3
133.11064	2.4
135.11722	39.8
137.09637	4.8
137.13264	10.1
139.11186	6.1
143.08594	11.3
143.10699	9.1
145.10133	28.5
147.11691	37.3
149.13263	27.8
151.11235	3.9
153.12721	11.1
157.10181	12.9
158.10970	2.2
159.11716	28.5
161.13249	24.4
163.14857	13.1
165.09206	2.5
165.12799	3.7
169.10262	2.5
171.11664	12.5
173.13266	17.1
175.14839	19.9
177.12848	3.8
177.16402	19.1
179.14302	2.6
183.11678	3.7
185.13237	11.4
187.11952	2.2
187.14893	17.1
189.16429	17.5
191.18028	7.4
193.15933	5.2
199.14751	10.7
201.16389	19.7
203.17953	12.9
205.15765	2.7
211.14742	2.9
213.16426	11.8
215.17992	17.2
217.19569	5.4
225.16339	3.6
227.17937	12.0
229.19525	10.1
231.21136	3.6
233.19044	6.6
245.19070	5.2
253.19475	5.2
255.21065	7.5
257.22690	7.3
267.21045	3.4
269.22604	3.0
271.24054	4.2
283.24255	16.1
285.25879	4.6
295.24307	2.7
337.28906	8.7
368.88208	2.3
405.35223	7.4
423.30847	3.4
423.36301	46.5
431.45731	2.7
441.37387	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3732
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03949	4.6
53.15349	2.9
55.05514	18.7
57.07069	9.8
67.05510	38.9
69.03413	7.0
69.07069	32.5
69.81914	7.8
69.82328	6.6
71.04993	22.2
74.09744	4.3
77.03927	2.9
79.05489	24.0
81.07065	73.0
83.07476	2.9
83.08617	20.8
85.06561	5.5
85.87726	3.0
91.05492	25.0
93.07059	58.2
95.04961	3.7
95.08621	81.7
97.06554	4.7
97.10192	12.4
98.20721	3.9
99.08087	15.7
100.20476	2.5
105.07046	41.8
107.07877	4.4
107.08606	86.7
109.06515	3.5
109.10170	79.5
111.11726	3.7
115.21110	2.7
117.07020	7.8
119.08595	56.8
121.10157	64.7
123.08072	2.4
123.11729	41.1
125.09645	23.5
127.07589	3.4
127.11227	28.5
128.82175	2.6
129.06963	2.9
131.08592	21.4
133.06201	2.8
133.10155	46.8
135.11697	39.7
136.12057	3.0
137.13237	13.3
139.11215	6.3
141.12711	3.5
143.08595	10.2
143.10718	25.8
145.10135	35.5
145.88957	2.8
147.11722	42.7
149.13261	28.0
151.11180	3.9
151.14926	2.8
153.12778	8.2
155.10719	3.6
157.10146	11.5
159.11707	42.7
161.13283	27.3
163.14880	13.0
165.09210	2.8
165.12730	2.7
166.76378	2.8
167.99727	2.9
169.12201	4.5
171.11717	9.8
173.13289	27.3
175.14850	28.2
175.98865	2.5
177.16389	14.9
183.11748	3.8
183.13852	2.8
185.13313	12.5
187.14896	21.9
189.16391	22.9
191.14314	3.1
191.17979	18.3
193.15897	8.8
197.13341	3.7
199.14838	12.8
201.16425	23.9
203.18053	13.4
211.16986	3.5
213.16403	16.4
215.17946	17.9
217.15883	2.5
217.19569	6.3
219.17563	2.8
227.17946	21.5
229.19528	13.6
231.21071	7.3
233.19060	5.4
241.19585	10.1
243.21185	4.6
255.21170	7.8
257.22659	16.2
269.22849	4.8
281.22913	3.4
283.24216	33.7
285.25803	11.5
287.23846	2.9
295.24286	3.5
297.25830	3.9
301.25186	3.6
337.29080	7.2
351.30716	3.8
355.29810	8.4
405.35324	7.2
423.36264	88.6
431.12741	2.8
441.37320	100.0
442.37991	4.2
452.80316	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21058	0.6
53.03931	0.7
55.01875	1.4
55.05278	0.7
55.05515	9.0
57.02770	0.6
57.03424	1.9
57.07085	4.6
61.64360	0.6
67.04595	0.7
67.05514	9.8
69.06728	1.2
69.07074	15.1
70.77853	1.1
71.04993	1.7
71.08640	8.1
75.46684	0.6
79.05507	6.3
81.07065	15.0
81.97864	0.6
83.04990	2.8
83.08614	7.4
85.06540	1.9
91.05480	5.0
93.07050	8.9
95.04961	1.5
95.08611	17.1
96.97392	0.6
97.06540	2.6
97.10194	1.8
99.08103	8.7
105.07037	5.3
107.08607	11.1
109.06535	8.9
109.10151	6.8
111.04446	1.5
111.08096	3.5
115.05453	0.9
119.08581	7.5
121.06524	1.4
121.10173	6.9
123.08082	25.3
123.11720	3.2
125.06004	1.6
125.09626	1.9
129.07007	1.7
131.08612	3.1
133.10133	7.8
135.04420	3.6
135.08066	6.4
135.11705	4.2
137.05966	2.0
137.09631	2.3
137.13269	1.7
139.07535	0.7
143.04909	1.0
145.10146	2.5
147.11667	3.5
149.02371	6.4
149.09645	3.0
149.13266	2.6
151.03897	2.0
151.11235	1.5
151.14850	1.2
153.12744	4.3
155.10669	0.9
156.66252	0.6
157.06456	0.8
159.11710	1.9
161.05994	0.7
161.13264	1.5
163.11284	1.0
163.14839	2.4
165.12790	1.9
167.14368	1.9
173.13301	2.0
175.14842	2.6
177.12790	2.2
179.14330	37.2
181.12224	1.0
181.15787	0.6
187.07520	1.0
189.09157	1.3
189.16405	1.7
191.14334	2.9
193.15944	2.0
201.05469	1.5
203.07074	1.7
205.15956	2.0
219.06578	0.8
233.19081	1.7
247.20526	0.9
251.20090	9.5
263.20197	1.0
275.20187	1.6
275.27188	0.8
289.25604	0.8
293.21118	7.8
293.28366	1.9
295.24084	0.8
303.26819	11.8
307.22595	0.8
313.25458	1.0
321.27960	1.9
325.10904	1.2
331.26337	36.7
337.10898	0.9
349.27393	44.5
367.28616	1.4
405.30075	6.3
423.31079	100.0
424.31714	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.6
55.05510	1.1
58.06585	0.8
67.05519	3.3
69.07085	2.8
70.92680	0.5
71.52889	0.7
72.08171	0.6
79.05502	1.1
81.07054	5.1
83.08627	0.7
86.49609	0.6
91.05463	1.7
91.52631	0.6
93.07064	3.3
95.08614	2.9
97.06541	2.0
97.10145	0.6
105.07020	1.7
107.04999	0.7
107.08589	3.2
109.10176	6.1
119.08615	3.0
121.10189	1.3
122.07313	1.0
123.11725	1.8
131.04953	0.7
131.08577	0.6
133.10158	1.3
135.08107	0.7
135.11671	1.2
137.09628	9.9
137.13208	0.5
147.04495	0.6
147.11734	0.8
149.09628	3.3
149.13249	1.2
151.07541	1.0
151.11209	3.5
159.08163	0.6
159.11777	0.8
163.55527	0.6
165.09131	100.0
166.09346	0.7
173.06140	0.6
177.09135	6.5
177.10764	0.7
179.10715	0.6
187.11235	0.6
189.09050	1.3
190.10126	0.7
191.10709	0.7
203.10718	2.4
205.12259	10.5
207.10278	0.6
273.14865	0.6
277.22299	0.6
285.18494	1.2
285.26697	0.6
290.56403	0.6
295.18689	0.6
302.87552	0.6
303.19586	6.0
423.32224	1.2
441.33679	15.3
442.34482	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	5.1
69.07076	8.7
69.67558	7.4
78.15420	1.5
79.05488	2.5
81.07090	2.6
83.04987	7.0
91.05487	4.0
93.07059	1.9
94.04208	1.9
98.21535	1.9
103.05473	2.8
107.04983	4.7
107.42847	1.4
108.05740	2.8
109.10197	1.9
117.07077	2.2
121.06541	2.4
122.03664	3.3
126.34115	1.5
128.06248	2.7
129.07040	4.1
131.04976	10.7
135.04457	4.7
136.05200	7.7
137.05991	42.2
139.07616	1.9
141.07028	1.6
143.04933	1.6
143.08582	3.2
144.05696	1.6
145.06490	6.6
148.05212	1.7
149.05981	3.3
151.03944	4.8
151.07564	100.0
157.06491	6.0
158.07329	3.5
159.08128	3.9
161.06015	1.8
162.06787	3.0
163.07581	17.4
165.05498	21.4
165.06862	2.1
165.09154	7.5
167.06990	1.9
171.08080	4.1
172.05194	1.6
172.08803	3.2
173.09659	2.7
174.06747	4.0
175.07573	9.7
177.09108	14.0
179.07057	7.1
187.07561	13.2
188.08369	6.8
189.09131	16.0
191.07101	3.4
191.10680	6.6
193.08643	2.7
195.08029	1.5
197.09801	1.9
199.07547	6.5
201.09082	11.8
203.10652	16.0
205.08731	2.1
205.12268	9.3
211.07655	2.3
213.09169	2.6
215.10683	1.7
217.08655	4.1
217.12247	4.0
219.10281	3.7
219.13838	2.9
221.11714	14.7
225.09154	4.2
229.08601	4.7
229.12480	1.8
231.10202	3.2
233.09779	1.7
234.10376	1.7
235.11200	2.0
235.13356	3.0
238.09979	4.1
239.07045	2.2
241.08580	3.1
251.10738	2.6
253.08629	4.9
254.09480	4.4
255.13872	9.9
257.15292	1.8
261.09241	1.9
262.10004	1.7
265.08514	1.9
268.11252	1.9
269.11829	4.1
270.08887	1.5
275.10574	1.7
277.08591	2.0
277.12369	2.3
281.08331	2.5
281.11414	1.7
282.08838	3.3
284.10434	8.7
285.11200	5.0
285.14877	7.8
291.10175	5.7
293.11807	2.0
296.10507	4.7
297.11301	17.6
299.12854	2.3
299.16507	1.6
305.11722	6.7
306.12399	5.0
307.09674	3.6
309.11270	6.5
314.11530	2.0
317.12024	1.8
319.13248	2.4
321.11206	4.1
321.14697	2.0
322.11938	4.0
323.12787	2.6
334.12219	1.5
335.12704	2.1
337.14374	14.1
339.15991	2.9
349.14499	9.9
352.16748	36.9
353.17450	4.1
355.15479	5.3
365.17566	7.4
367.15338	5.8
374.18857	1.8
393.20572	1.9
405.20627	20.0
411.21683	3.5
423.21747	37.2
441.22766	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11736	1.2
59.07626	1.0
67.05504	2.4
69.07070	15.6
69.67112	6.7
79.05501	2.4
81.07047	2.1
91.05485	3.4
93.07030	2.0
93.34988	1.2
105.07080	1.5
107.04960	3.5
107.08564	1.2
108.05741	1.2
109.10176	1.6
114.61047	1.1
115.05450	3.6
117.06979	1.5
119.08638	1.6
122.03640	3.5
128.06229	1.6
129.07007	5.9
131.04942	3.4
131.08562	1.5
135.04440	2.6
136.05202	4.5
137.05991	60.6
139.07442	2.8
143.04955	1.9
144.05716	3.7
145.06500	3.3
146.07237	1.2
147.04387	1.3
149.06058	1.4
151.03937	2.7
151.07558	57.0
157.06496	14.0
158.07298	10.8
159.04420	2.4
159.08029	2.9
160.05211	3.1
163.07632	2.8
165.09132	7.3
172.05168	4.8
172.08833	5.3
173.06041	2.6
173.09517	1.3
174.06802	17.1
175.07552	25.9
176.08302	1.3
177.09160	4.5
179.07031	2.1
181.08640	1.3
185.05865	1.1
187.07571	39.0
188.08333	13.9
189.09128	40.1
199.07596	3.9
201.09131	100.0
202.09525	1.8
203.08833	2.5
203.10667	15.8
205.08606	1.6
205.12263	2.5
207.08118	1.4
213.09106	3.1
217.08636	10.8
219.08073	3.0
219.10175	4.4
231.08084	2.9
231.10185	16.7
233.09572	4.4
233.11720	1.8
234.10312	2.1
235.32550	1.3
241.08627	4.6
245.09631	3.3
246.10429	3.0
247.07591	3.7
248.08209	1.4
250.10022	1.2
251.10799	1.4
253.08600	1.8
254.09441	3.3
255.13821	6.8
259.07462	1.6
260.08344	1.4
261.09250	5.6
262.09885	5.2
263.07358	2.5
263.10706	4.3
264.07822	1.8
265.12344	2.1
269.08078	3.3
270.08969	1.6
274.09915	4.0
275.07187	1.7
275.10635	4.2
277.08923	2.6
277.12213	4.5
279.10071	6.1
284.10461	12.4
285.11401	6.6
288.22052	1.3
290.09372	1.6
291.10095	8.9
293.11694	8.6
294.12512	3.8
295.09641	4.5
296.10449	1.5
297.11163	6.0
305.11758	17.4
306.12427	7.4
307.09711	7.0
307.12869	1.8
309.11276	2.5
310.12054	12.2
311.12625	2.0
321.11224	1.7
322.12006	3.2
325.14355	27.5
337.10291	2.1
337.14377	44.5
338.14923	1.3
343.15421	1.5
349.14240	1.5
352.16644	1.8
354.90903	1.2
355.15448	26.5
393.20630	1.9
405.20514	2.1
423.21729	4.2
441.22614	1.6
441.28088	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	441.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	3.5
69.07072	17.3
69.67674	11.6
79.05485	2.9
79.55949	1.8
81.83295	2.2
85.06546	2.9
88.16579	1.7
91.05489	4.9
94.04183	2.2
98.20800	1.7
103.05437	2.0
107.04939	3.5
109.06501	2.7
115.05446	4.3
117.07027	3.2
121.06495	2.9
122.03628	5.9
128.06221	3.3
129.07034	9.0
131.04942	5.5
135.04437	2.5
136.05179	7.3
137.05983	83.3
139.07538	3.7
143.04875	2.4
143.08595	2.5
144.05699	5.3
145.06491	5.6
146.07361	1.9
151.03893	4.3
151.07545	91.8
154.84674	1.7
157.06467	21.9
158.07272	13.8
159.04445	2.6
159.08022	3.4
160.05222	7.2
160.08769	2.5
161.06012	3.3
163.07513	5.1
165.05447	3.0
165.09126	4.6
171.07997	2.3
172.05208	6.0
172.08833	7.5
173.05992	4.1
174.06783	27.1
175.07565	38.8
177.09120	3.8
179.07005	2.4
185.05989	3.1
186.06862	2.2
187.07538	65.6
188.08340	12.9
189.09111	60.0
189.10771	4.0
191.07047	2.2
199.07518	4.3
201.09117	100.0
202.09668	2.9
203.10687	24.7
205.08488	2.2
205.12286	4.6
213.09233	2.2
217.08601	18.8
219.08206	3.2
219.10146	7.2
225.09097	2.3
231.08023	3.1
231.10132	18.6
233.09575	5.1
233.11728	4.3
235.07480	2.2
241.08626	10.7
246.10347	2.9
247.07469	4.4
248.08264	2.8
249.08861	2.8
251.10632	2.8
253.08502	5.1
254.09454	5.4
255.13779	7.2
261.09155	8.8
262.09915	7.3
263.10724	6.7
267.10297	2.3
269.08188	4.6
270.08838	4.1
273.09033	4.2
274.09930	5.3
277.12158	6.6
278.09451	5.0
279.10138	7.1
284.10400	28.2
285.11148	11.0
290.09549	4.0
291.10239	12.8
293.11755	6.7
294.12308	6.1
295.09708	4.5
296.10803	2.1
297.11249	10.9
299.12781	2.8
305.11746	20.3
306.12378	12.5
307.09647	7.6
309.11340	2.3
310.11972	10.6
311.12613	2.5
322.11902	4.4
323.12720	3.5
324.13663	2.2
325.14352	34.1
337.14346	56.7
352.16699	4.4
355.15424	32.2
405.20679	4.4
423.21506	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	441.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	4.0
53.88448	3.9
55.05510	4.9
58.31693	3.4
67.05513	13.4
69.07080	27.7
69.28722	8.9
69.29125	28.3
79.05500	7.8
81.07056	11.5
83.04993	5.5
91.05498	7.5
94.04167	4.4
95.08616	8.6
97.06535	4.2
105.06997	4.6
107.04942	4.2
107.08559	4.9
109.06520	4.6
109.10178	9.7
119.08613	4.3
122.03731	4.3
128.06270	7.6
129.07076	7.7
131.05002	8.1
133.10172	6.1
137.05995	100.0
143.08569	4.2
145.06512	13.9
151.03993	5.7
151.07570	45.5
151.13837	3.7
157.06522	12.7
158.07310	7.7
163.07555	5.5
165.09129	28.6
171.08182	5.8
172.08868	11.8
173.06052	4.3
174.06815	9.3
175.07603	6.3
187.07503	17.0
188.08340	25.8
189.09111	19.7
201.09113	64.2
203.10698	23.3
205.12306	4.5
213.09216	5.9
216.74400	3.5
217.08624	4.5
219.08176	6.7
222.10280	4.5
231.08040	6.0
231.10164	34.9
233.09645	8.0
241.08688	9.9
246.10435	6.8
247.07556	5.9
251.10709	4.2
254.09296	5.1
255.13609	4.9
261.09149	17.4
262.09979	9.9
264.07977	5.7
266.09351	3.8
267.10193	4.5
269.08194	8.1
270.08835	4.6
273.14890	4.7
274.10010	9.9
275.10825	4.6
277.12302	8.3
278.09464	4.0
279.10226	7.4
282.08957	5.4
284.10455	42.9
285.11212	11.6
290.09396	7.0
291.10187	14.0
293.11856	9.9
294.12659	6.5
295.09711	7.3
296.10077	4.3
297.11221	13.0
305.11737	29.7
306.12485	15.5
307.09781	17.2
310.11972	23.2
311.12476	4.8
322.12051	7.4
325.14417	38.8
337.14395	95.0
349.14621	4.9
349.21750	5.4
352.16660	12.1
355.15488	45.6
367.22363	8.9
405.20569	12.4
423.21652	12.4
441.26682	16.7
441.33914	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2276
Annotation	Glycycarpan
Peak:m/z	Relative Intensity
51.05079	1.0
52.98180	0.9
55.01859	1.4
55.05467	1.0
59.04993	2.8
65.03945	1.0
69.07079	5.8
69.38631	7.3
71.31574	1.0
79.05487	2.2
80.08973	0.9
81.07040	1.6
83.04979	7.1
91.05490	4.9
92.71035	1.1
94.04184	2.2
95.08612	1.3
103.05470	4.1
105.07051	1.8
107.04989	6.5
108.05766	2.9
115.05486	1.0
117.07008	2.2
119.08661	1.0
121.06531	2.5
122.03687	4.2
123.40677	1.0
128.06241	1.7
129.07025	3.1
131.04948	10.8
131.08675	1.7
135.04405	2.2
136.05212	6.1
137.05989	43.1
139.07587	1.3
141.07001	1.9
143.08572	2.6
144.05698	1.1
145.06511	4.5
146.07291	2.5
148.05182	1.9
149.05998	2.3
151.03975	6.3
151.07556	100.0
155.08461	1.1
155.24750	1.1
157.06522	4.2
158.07291	3.5
159.07999	1.3
160.05235	1.0
160.08844	1.5
162.06760	2.1
163.07562	12.5
165.05478	20.7
165.09132	10.1
167.07118	1.5
167.08618	1.0
171.08043	2.7
171.48802	1.1
172.08875	2.3
173.06006	1.8
173.09624	3.6
174.06813	4.3
175.07552	8.5
176.08267	1.7
176.54590	1.1
177.09106	15.5
179.07062	6.5
187.07585	8.7
187.11243	1.5
188.08307	6.5
189.09126	17.8
190.09874	1.3
191.07091	2.0
191.10622	6.6
193.08664	1.3
195.08006	1.6
197.09521	1.3
199.07585	4.1
201.09146	12.4
203.10680	14.7
203.12389	1.7
205.12273	11.3
207.10146	2.8
213.09030	2.5
215.10683	1.7
217.08623	2.0
217.12238	2.8
219.10234	2.9
219.13823	1.9
221.11732	12.8
225.09183	2.4
229.08606	2.9
231.10201	3.1
233.11708	2.3
235.13316	4.2
238.09938	1.4
239.06985	1.6
241.08664	3.0
243.13860	2.1
246.10431	1.5
251.10623	1.5
253.08612	3.6
254.09448	5.1
255.13846	11.4
261.09143	2.4
262.09842	1.7
263.10776	1.7
267.13812	1.6
269.08020	2.0
269.11819	3.2
270.08905	1.8
275.10837	2.2
279.10144	3.1
281.08105	1.5
282.08893	4.0
284.10388	6.6
285.11224	4.4
285.14844	7.5
289.12177	1.8
290.09442	1.6
291.10208	4.8
295.10114	1.3
296.10544	4.5
297.11212	14.3
299.12885	2.9
305.11819	5.4
306.12546	2.9
309.11267	5.6
310.11981	1.6
314.11267	1.5
317.11713	1.6
321.11197	1.5
321.14639	1.2
322.11926	2.3
323.12744	2.5
325.14374	3.4
335.12784	2.0
336.13605	1.7
337.14346	12.7
339.15945	1.4
349.14291	7.2
352.16724	26.3
353.17590	3.0
355.15164	3.3
365.17459	4.0
367.15256	5.1
374.18643	1.7
385.16501	1.9
393.20630	4.5
405.20547	14.2
411.21628	4.2
423.21671	31.3
441.22757	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	441.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.1
54.56355	0.7
55.01859	1.3
55.05504	2.1
57.03429	2.9
61.02930	1.3
67.05521	4.0
68.99804	4.2
69.03439	28.7
69.07070	3.3
69.41091	1.5
69.41499	4.1
70.06599	1.1
71.04998	18.1
72.08150	2.5
79.05495	1.9
80.73103	0.8
81.03427	39.7
81.07073	10.4
83.04993	1.3
83.08598	1.4
84.08125	1.1
85.02914	29.7
85.06548	3.3
87.00840	11.6
91.05462	1.8
93.07056	6.1
93.33522	0.7
95.04975	2.1
95.08620	8.0
97.02911	3.6
97.06567	1.2
97.10158	0.7
99.04461	15.1
99.08109	1.6
101.82463	0.8
105.01903	1.0
105.07040	3.5
107.08616	6.0
109.02890	36.6
109.06539	1.8
109.10165	9.3
109.48595	0.8
111.08109	3.8
119.08605	8.7
121.10152	2.2
123.08068	6.6
123.11723	21.8
124.89621	0.9
127.03929	100.0
129.01863	2.1
129.56036	0.7
133.04959	0.8
133.10123	9.1
135.11687	6.1
137.09641	2.7
139.03960	1.4
145.04948	1.2
147.02946	1.4
147.11674	1.7
149.13268	1.7
154.73712	0.8
159.57895	0.8
165.09138	2.4
166.18138	0.7
175.14848	15.2
183.02928	0.7
187.06041	3.2
193.15898	17.5
203.05341	1.3
213.03946	17.6
231.04997	18.2
315.13531	1.1
316.13763	1.2
397.18475	1.3
423.14893	1.5
423.20215	9.2
441.17493	3.5
441.24567	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	441.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47580	0.6
55.01880	1.3
56.96564	1.5
58.06593	1.8
69.03445	0.8
69.67107	2.4
70.06585	2.0
70.06952	0.5
73.02882	0.8
76.27543	0.5
84.08134	1.5
84.96035	0.6
85.02902	1.6
90.72749	0.5
91.05503	0.7
97.02915	0.9
98.20748	0.7
98.97587	6.2
102.20119	0.5
105.07041	1.0
106.06374	0.6
109.02867	0.6
110.07162	1.1
110.97592	2.3
115.05463	2.1
116.07097	1.2
116.98638	2.3
117.05777	0.8
119.01983	0.6
119.04936	1.0
121.02869	0.5
127.04006	0.6
128.07082	3.2
128.98605	1.8
130.08615	1.0
132.08131	3.0
132.15808	0.5
133.06046	0.5
135.04420	0.8
137.05928	0.6
142.06544	0.6
143.00192	1.0
147.04474	0.9
151.03915	0.7
158.99660	2.8
160.07593	100.0
161.07941	1.0
163.03934	3.3
170.99684	1.2
175.05051	5.8
177.00757	1.9
177.08748	1.2
177.10248	15.5
177.53943	0.5
181.04935	0.6
182.99658	1.3
189.00647	0.7
191.11935	0.6
193.06143	3.3
201.00710	2.7
207.02943	1.7
215.03358	0.8
219.01714	3.1
225.03954	0.9
231.02379	0.6
233.04512	1.6
237.02879	2.0
243.01758	1.2
247.06047	0.9
249.03973	0.7
257.04398	0.8
261.02686	4.2
267.02878	0.6
273.03931	1.2
275.05313	1.3
279.03885	3.0
283.12344	0.5
285.03952	0.6
291.04407	1.0
303.04916	1.1
309.06021	2.7
321.04947	2.1
339.07269	1.0
345.06091	1.3
363.07236	6.3
381.06976	0.8
387.07083	1.4
393.08090	0.8
405.08276	1.0
405.14001	0.6
413.83499	0.6
441.10254	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	441.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96425	1.4
55.01870	3.7
55.05523	1.4
57.30344	1.4
65.03944	5.0
67.05514	3.5
69.03414	1.5
69.07061	5.0
71.52409	1.3
79.05484	3.1
81.03426	8.9
81.07037	1.9
82.16932	1.3
91.05475	1.7
93.03410	1.9
93.07047	2.3
95.08613	1.9
97.06572	1.6
107.08568	1.6
108.02113	2.6
109.06570	2.3
111.04443	1.9
115.05466	4.6
118.97224	1.5
126.11520	1.3
128.06224	4.3
129.07016	13.5
130.70926	1.2
131.04953	2.4
133.03841	1.2
135.04425	46.9
135.05434	3.1
137.05994	31.3
143.04922	5.0
145.06560	2.9
149.02359	51.7
151.03922	100.0
151.05002	7.3
151.07538	2.0
153.05478	2.8
157.06497	16.0
159.04460	2.5
161.06046	1.9
163.03912	1.4
165.05470	3.1
165.09195	1.5
171.04398	3.9
173.05957	2.8
175.07573	3.7
183.04388	1.4
185.06075	1.5
187.07578	11.4
189.05484	4.9
189.09152	6.0
191.07059	5.9
201.05478	19.4
203.07079	22.2
205.08670	2.3
219.06544	5.4
219.08334	2.9
221.08105	3.6
231.06485	5.4
233.08122	5.3
247.07568	3.6
251.10767	2.1
257.32977	1.6
264.07947	2.8
267.10315	1.7
276.07895	1.4
277.08707	2.7
282.08932	2.1
283.05978	1.5
284.06848	6.3
293.08109	1.8
295.09744	3.2
305.08121	2.7
307.09647	4.0
309.11197	4.3
310.08209	1.8
319.09698	8.4
322.08475	2.0
325.10666	16.4
337.10730	18.9
343.11737	6.1
355.11777	24.6
373.12836	9.6
423.18225	2.5
423.31473	1.6
441.37250	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
58.02962	0.6
59.09345	0.2
67.05515	0.4
69.03432	0.5
70.83071	0.3
70.83416	0.6
72.87473	0.2
73.23187	0.3
81.03415	0.3
84.08156	0.5
85.02902	1.4
91.05499	0.3
91.15611	0.2
95.04993	0.7
97.02892	0.5
105.03401	14.3
107.08624	0.3
109.10139	0.3
115.05445	0.3
117.05772	0.6
117.07035	1.6
118.06566	0.4
127.01300	0.3
130.06543	0.9
130.08691	0.4
136.07587	4.9
137.09622	0.5
139.03905	0.5
142.26724	0.3
143.07306	4.6
144.08096	100.0
145.06505	0.4
145.08443	1.1
151.03918	3.3
151.05011	0.5
155.06064	0.3
156.08089	3.2
157.08904	3.7
158.09674	8.4
162.09117	0.6
165.09129	4.5
167.07288	0.6
168.08104	3.3
171.06808	0.3
177.09180	0.5
184.07541	0.4
186.09155	28.4
205.12244	0.4
210.09180	0.3
233.08366	0.7
236.10712	1.4
248.10739	1.1
279.14951	42.1
280.15247	0.7
290.11850	0.4
306.13342	0.8
321.15985	11.2
441.17688	0.4
441.33652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73334	1.3
53.03947	1.3
55.01888	2.6
55.05494	2.8
57.03432	3.4
64.21805	1.3
67.05511	7.5
68.99795	1.8
69.03417	2.6
69.07070	6.9
70.06576	3.7
71.04991	2.6
72.08118	1.3
79.05508	13.8
81.07063	6.4
84.08128	1.0
85.06618	1.4
89.30509	1.5
91.05470	4.9
93.07040	4.6
93.70596	1.3
95.04954	2.8
95.08603	5.2
97.06537	100.0
103.05450	1.3
105.03413	6.7
105.07009	5.1
107.04951	8.7
107.08567	4.1
108.05733	2.9
109.06530	11.3
109.10184	7.2
113.05991	3.0
117.07002	3.1
119.04940	1.8
119.08579	4.9
120.08870	1.4
121.06464	2.4
121.10157	1.6
123.08098	1.6
124.05199	5.1
128.06227	1.6
128.07094	1.8
129.07011	1.8
131.04921	5.8
131.08588	3.1
133.06451	1.3
133.10120	1.8
135.04463	2.9
135.07153	1.4
135.08090	1.9
135.11707	1.0
136.05226	8.3
137.09650	6.1
139.03905	3.5
139.07532	4.2
143.08536	1.5
145.06462	11.8
145.10097	3.4
146.07317	1.1
147.04413	10.5
147.07954	1.4
147.11702	1.4
149.06027	1.4
149.09593	2.8
151.07547	74.5
151.11200	3.0
154.08646	2.2
155.08684	2.0
157.06491	2.0
157.10034	1.5
158.07272	1.5
159.04414	25.0
159.08076	1.8
160.05215	1.6
161.06015	6.3
163.03943	1.9
163.07571	2.5
165.09126	76.6
168.43214	1.0
171.04391	1.7
171.08029	1.6
173.06000	40.5
174.06731	3.6
175.03926	29.0
175.07605	1.6
177.05489	7.6
177.09137	8.0
183.08084	1.9
187.03967	1.5
188.04684	1.4
189.05484	5.6
189.09077	6.7
191.10687	1.3
193.04961	1.3
199.07529	2.2
201.09126	8.3
202.09865	1.2
203.06973	4.3
203.10634	2.5
205.04802	1.7
205.12236	10.1
211.07576	1.6
213.09061	2.4
221.15294	1.4
222.15643	2.6
229.08601	23.8
235.09616	5.0
255.10181	4.9
255.13773	1.8
256.07272	1.7
259.09680	4.5
266.68143	1.3
273.11234	39.0
273.14417	2.3
281.11801	1.3
285.11206	12.1
299.09222	1.4
300.20297	1.8
303.12305	1.5
303.19574	3.3
323.12735	3.1
325.10675	1.3
328.23389	1.7
349.21594	1.3
361.22250	1.7
367.22672	2.5
379.15616	2.7
382.14014	2.3
395.14761	3.6
395.45337	1.1
397.16293	4.9
397.29343	2.3
411.17831	1.9
423.18195	28.6
441.18976	5.6
441.27258	12.1
441.33667	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	441.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.4
55.62492	0.6
56.96542	1.1
63.02409	0.7
65.03946	3.5
68.99796	1.7
69.07059	2.2
69.24767	1.5
69.25162	5.0
79.05502	1.0
80.42524	0.6
81.03426	11.9
81.07079	1.0
86.19296	0.6
91.05483	1.1
93.03447	0.9
95.01325	1.3
107.04993	1.2
109.06551	1.2
111.04529	1.0
115.05488	3.1
117.07029	0.9
121.02888	1.6
122.03679	1.4
122.44632	0.6
123.04484	1.6
128.06250	2.5
129.07016	9.7
131.04935	1.8
133.44838	0.6
135.04436	24.7
136.04810	0.6
137.05988	27.9
139.03860	1.3
143.04926	3.7
145.06561	1.6
147.04417	0.9
147.08034	0.9
149.02364	100.0
151.03935	13.7
151.05029	1.3
151.07526	3.0
152.07872	0.9
157.06511	11.5
159.04407	1.1
161.05998	2.7
161.09676	0.7
163.03949	1.9
165.05466	1.0
171.04442	3.8
173.06035	2.3
175.07608	2.5
185.06009	0.9
187.07590	3.3
189.05484	6.4
189.06949	0.7
189.07486	0.8
189.09096	5.7
191.08577	0.7
201.05482	24.4
203.07057	14.4
205.08720	0.7
213.05437	1.0
215.07117	0.8
219.06447	8.7
221.08194	0.9
231.06473	5.6
233.08141	1.3
246.06805	1.1
247.07576	2.9
249.37393	0.7
251.11050	0.7
259.07544	0.8
261.09125	1.2
265.08423	1.0
277.08658	1.4
282.09042	1.1
283.06049	1.5
284.06894	2.4
289.08569	0.9
293.08191	1.6
295.09747	1.1
299.13840	0.8
304.07513	1.1
305.08182	3.5
307.09656	2.6
309.11276	2.4
319.09723	5.2
324.09482	0.8
325.10699	8.9
327.11884	0.8
337.10767	9.9
343.11731	1.5
355.11786	11.6
373.13007	2.2
399.31769	0.8
423.18130	1.3
441.44308	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01863	2.1
60.78349	0.7
65.03947	3.8
69.07070	1.6
70.21088	2.1
70.21428	1.0
79.05492	1.1
81.03434	9.7
93.03439	1.5
94.81732	0.7
95.01321	0.8
98.21425	0.8
100.42095	0.7
105.07014	0.7
107.04971	1.0
108.09011	0.6
109.06539	1.5
111.04413	1.1
115.05489	3.0
117.07021	1.0
119.04951	0.7
121.02892	1.7
122.03658	1.7
123.04450	0.8
128.06239	2.7
129.07005	11.1
131.04961	1.7
135.03406	1.5
135.04433	25.6
137.05992	30.2
139.03886	1.2
143.04941	4.0
145.06493	1.7
147.08130	0.9
149.02364	100.0
151.03922	16.4
151.05017	1.3
157.06502	11.6
161.05998	3.0
161.09595	0.9
163.03937	2.1
165.05513	0.8
171.04439	4.2
172.05003	0.7
173.06029	2.6
175.07556	2.8
176.04807	0.7
183.04597	0.6
185.06128	1.2
187.07587	3.9
189.05490	5.6
189.06978	0.6
189.07495	1.0
189.09100	7.3
191.07071	0.8
201.05495	23.3
203.07042	13.6
205.08609	1.1
213.05544	0.9
217.06483	1.0
219.06410	8.1
219.07971	1.4
221.08176	1.2
231.06526	6.9
233.08086	1.5
235.07484	1.0
239.61221	0.7
246.06917	1.0
247.07631	2.1
259.07553	0.9
261.09198	0.9
265.08493	1.1
275.07120	1.9
277.08670	2.3
279.10132	1.2
282.08694	1.1
283.05954	0.7
284.06824	1.4
287.07205	0.9
289.08615	0.9
289.11520	0.8
293.08054	1.7
295.09647	1.5
304.07458	0.8
305.07993	3.7
307.09708	3.1
309.11273	2.9
319.09644	5.8
325.10754	12.3
337.10730	12.1
343.11792	1.3
355.11749	11.8
373.12769	2.5
390.19302	1.0
391.18005	0.8
441.18918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01862	2.1
55.05508	1.8
59.05006	1.2
64.79267	1.4
65.03947	1.4
67.05505	4.1
69.07067	2.4
69.28178	12.1
79.05489	3.2
81.03416	3.6
81.07063	3.4
84.17202	1.2
90.35426	1.2
91.05479	4.8
93.07043	1.8
93.61018	1.2
94.04191	3.2
95.04967	1.9
95.08614	1.7
98.20834	3.4
103.05452	5.1
105.07030	2.9
107.04953	1.5
108.60155	1.3
109.06548	2.4
115.05479	4.4
117.07022	3.2
119.04930	1.8
122.03633	5.9
123.04428	6.9
124.18882	1.3
125.06046	2.0
128.06204	2.7
129.07010	8.1
131.04965	13.7
131.08562	2.3
133.06439	1.4
135.04437	11.2
137.05997	93.8
141.07007	3.7
143.05005	3.0
144.05681	1.9
145.06477	4.8
149.02361	17.8
149.06021	3.7
151.03931	51.3
151.05051	4.4
151.07515	7.5
153.05502	2.3
153.06989	3.6
155.08528	2.6
157.06503	9.6
157.10233	1.3
159.08093	2.4
160.05234	2.1
161.06015	11.3
163.07526	5.3
165.06984	2.2
165.09113	2.2
166.07710	2.8
167.08539	3.2
169.06453	1.8
169.67674	1.3
171.04362	1.7
171.08057	1.8
173.06009	5.2
174.06833	3.6
175.07558	12.4
177.09117	2.2
179.08578	2.9
181.06581	7.2
181.10126	1.5
181.22789	1.3
183.08006	1.7
185.06123	2.1
186.06720	1.8
187.07629	8.4
188.08241	1.5
189.05522	2.5
189.09119	8.7
191.08688	1.4
191.10632	3.7
194.07285	3.2
195.08148	6.4
195.11714	2.9
195.42252	1.7
196.08835	2.2
197.06024	4.8
197.09645	1.7
199.07533	5.7
201.05508	5.5
201.09119	8.9
203.07047	4.8
203.10741	4.5
205.06798	1.3
205.08621	3.0
206.07335	1.7
207.08014	4.6
207.09912	1.5
207.11823	2.5
209.09598	3.0
211.07512	8.9
212.08405	10.4
213.09105	4.1
215.06981	2.2
215.10698	6.9
217.08681	1.9
217.12210	2.1
219.06499	1.5
219.10144	3.2
223.07481	2.8
223.11154	9.3
224.08328	22.4
225.09082	4.6
225.12767	4.5
227.10687	4.0
231.06375	2.1
235.11209	2.4
237.12617	1.5
238.09972	2.0
239.10649	5.1
241.12282	29.4
243.13896	3.6
245.11787	2.2
253.12274	100.0
255.07996	1.7
255.13849	3.2
257.11740	1.7
269.11783	4.0
270.10550	1.4
271.13351	41.5
275.10794	1.5
293.08121	1.9
295.09885	1.7
298.09726	1.6
299.12888	15.6
301.08798	3.4
303.10181	4.1
304.07336	1.5
305.08127	1.6
305.14172	1.5
306.08905	1.5
307.09467	1.8
314.29773	1.6
315.10263	2.9
316.11096	1.7
317.13992	4.8
319.09674	2.6
320.10693	2.1
321.10913	1.8
324.13589	1.9
325.10800	2.7
327.13821	1.9
331.20319	1.8
333.11243	3.9
337.10577	1.9
343.13129	1.7
345.14908	6.9
359.16449	4.7
362.15204	1.5
363.15991	1.7
377.17532	42.1
387.15704	1.6
393.16983	4.9
395.18515	8.6
405.17081	7.8
423.18069	27.8
441.19113	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	441.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43098	0.5
55.05509	0.7
70.06615	0.9
72.08145	0.7
72.60551	0.5
79.05495	0.5
79.83058	0.5
85.56742	0.5
91.05496	1.0
93.07056	1.5
105.07038	1.1
107.08589	0.9
117.07030	0.7
126.38427	0.5
145.10220	0.9
160.07584	0.8
169.00209	0.6
185.04349	0.7
193.12073	2.1
227.05354	1.2
287.03778	1.0
289.05481	3.2
337.16119	1.1
355.17407	4.3
359.38922	0.5
363.50180	0.6
379.17218	2.1
397.18375	23.3
398.18640	0.8
423.16254	9.3
441.17368	100.0
442.17731	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	441.1733
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
50.56856	0.4
58.06599	0.6
59.85974	0.5
69.03410	0.5
70.06590	0.9
71.53381	0.6
72.08144	0.5
79.05490	0.5
83.28874	0.4
91.05493	1.7
93.07034	1.5
105.07019	1.1
107.08601	1.1
109.02898	0.6
131.08632	0.7
131.77301	0.4
146.38734	0.5
167.03146	0.6
193.12051	2.4
197.09111	0.4
206.64227	0.4
227.05312	1.2
243.04753	0.4
244.17189	0.4
245.06192	0.4
262.18121	0.5
263.51443	0.5
271.04266	0.9
280.12885	0.4
287.03860	0.9
289.05273	1.8
337.16373	0.5
355.17319	4.2
379.17374	2.6
386.21323	0.4
397.13028	0.8
397.18344	25.0
423.16336	8.7
441.17352	100.0
442.17700	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	441.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71690	0.7
53.56799	0.7
55.05516	1.1
58.06599	0.7
60.86686	0.8
67.05501	1.1
69.07049	0.7
69.58910	2.9
69.59320	1.7
70.06593	1.3
72.08151	1.7
79.05502	1.6
81.07029	1.1
84.08144	3.2
91.05479	1.1
93.07059	2.3
95.08611	1.5
105.07054	1.0
107.08600	1.3
109.10164	1.5
121.10173	0.8
123.04434	2.7
130.08661	2.7
131.08859	0.6
135.04494	1.1
137.05952	0.9
137.09637	1.7
139.03946	1.0
143.08603	1.3
144.08253	0.8
145.06404	1.0
145.10016	0.9
151.03954	1.4
165.09128	12.1
178.84496	0.8
182.25780	0.9
193.12088	0.9
205.12303	1.7
207.06471	0.9
227.05295	1.1
289.05313	1.2
355.17288	5.6
379.17169	1.3
397.18369	35.1
403.08185	0.9
441.17368	100.0
441.24304	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	441.1737
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
64.98624	0.3
70.06580	0.4
71.04989	0.5
71.52296	0.3
72.08160	0.4
79.05515	0.5
81.03443	0.6
81.07058	1.3
82.45239	0.3
83.05003	0.3
83.08605	0.4
85.02940	0.5
85.70865	0.3
91.05475	0.5
93.07043	1.5
95.04974	0.3
95.08630	0.7
97.02888	0.5
97.06545	0.3
101.40534	0.3
105.07042	0.5
107.08610	0.8
108.65160	0.3
109.10196	0.4
119.08603	0.5
121.10158	0.6
127.03850	0.5
135.11723	0.8
139.03918	0.5
145.10176	0.5
147.04396	0.4
153.12830	0.5
159.40958	0.3
163.11150	0.4
165.09090	0.7
175.11096	0.4
185.04280	0.6
193.12024	2.9
201.03712	0.6
203.05385	1.2
221.11612	0.5
227.05269	0.4
245.06366	3.8
263.19934	0.9
289.05313	5.2
337.16354	0.6
349.31314	0.4
355.17313	10.0
379.17352	0.8
397.18387	28.2
398.18695	0.6
441.17410	100.0
441.24316	7.9
442.17703	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	441.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.5
63.72617	0.5
67.63755	0.4
68.12746	0.5
68.31403	0.4
69.03440	0.7
70.67469	1.4
71.04981	1.6
73.06602	0.5
79.05475	1.3
81.03413	0.6
81.07064	3.9
81.84953	0.5
83.04995	0.8
84.08179	0.5
85.02926	0.8
90.86371	0.4
91.05493	1.1
93.07058	1.6
95.08613	0.7
105.07076	0.7
107.08604	1.1
110.19402	0.4
110.96671	0.6
119.08572	0.5
120.04480	1.9
121.04835	1.1
123.04449	0.7
135.11729	1.9
139.03922	0.8
147.04407	2.2
147.05440	0.5
151.03920	1.2
153.12770	1.2
160.09250	0.5
162.07613	0.6
175.07513	0.5
180.57043	0.5
193.08656	0.9
193.11998	4.9
201.03735	0.6
203.05287	1.1
227.05203	0.5
229.03229	0.7
243.04776	3.3
245.06276	2.6
271.04324	1.1
287.03769	22.9
289.05273	17.0
289.08267	0.9
355.17313	1.6
369.60791	0.5
397.18378	11.9
441.17383	100.0
442.17712	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97355	0.2
53.03944	0.3
57.03425	0.3
58.06609	0.2
58.71601	0.2
69.03442	1.3
70.06586	0.8
71.04991	0.2
73.02917	0.5
74.88893	0.2
77.75177	0.2
81.03424	1.6
82.06584	0.3
84.08140	0.6
85.02905	2.4
85.08476	0.2
87.00826	1.1
89.03889	0.2
91.05485	0.5
97.02908	1.0
98.06063	0.3
98.20734	0.5
99.04446	0.6
105.01855	0.8
109.02894	1.6
117.03387	0.3
122.03653	1.0
127.03923	2.4
128.07045	1.0
129.07397	0.4
133.02863	13.7
137.05991	3.2
145.04956	0.8
149.05994	1.2
150.03117	0.5
157.12265	0.3
159.02899	0.9
163.03845	0.3
165.05467	2.0
178.02620	7.3
193.04970	100.0
194.05247	1.3
231.05000	0.4
242.30617	0.2
260.16733	0.3
279.17297	0.2
288.19998	0.2
353.51328	0.2
441.13272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.05502	4.9
57.02462	1.4
57.07068	4.3
59.05002	2.4
59.78276	1.3
60.91341	1.3
67.05503	9.2
68.05028	12.9
69.03425	4.0
69.07063	4.2
69.43903	10.4
70.06208	1.9
70.06596	36.7
71.04996	2.9
71.43725	1.5
73.20300	1.3
79.05505	10.5
79.14851	1.4
80.05019	5.2
81.07069	12.5
82.06592	2.6
83.04984	2.7
83.08611	2.3
84.08151	8.8
85.06545	3.8
91.05492	12.8
93.07045	10.7
94.06573	2.0
95.04948	3.8
95.08606	5.9
96.08137	9.9
97.06509	4.0
98.06069	2.3
98.20761	2.9
99.45716	1.4
100.07616	14.6
103.05481	2.3
105.07037	31.4
107.08611	13.3
108.08130	13.0
109.06532	5.6
109.10164	5.9
110.09691	1.8
114.05540	6.4
116.07108	3.2
117.06990	6.8
119.08593	26.1
120.08105	4.2
121.06485	1.7
121.10149	8.8
122.09692	4.0
123.08078	5.3
125.06011	2.7
125.09628	1.7
128.06235	2.8
128.07088	25.4
129.07031	4.8
129.20776	1.3
130.07841	2.6
131.08553	11.6
132.08090	2.0
133.08919	1.4
133.10144	7.2
134.09669	2.5
135.08073	5.4
135.11749	1.6
136.11201	2.4
137.09647	6.2
139.07524	1.5
141.07022	1.9
142.07765	4.3
142.08730	2.8
143.08553	13.3
144.09319	3.0
145.06471	1.7
145.10127	20.1
146.09674	3.1
147.08055	6.0
147.10580	1.8
147.11719	7.8
148.11221	6.4
149.09633	2.3
151.07509	1.5
154.08646	51.9
155.08604	4.3
155.10709	3.4
156.09352	5.9
157.10149	14.5
159.08026	1.8
159.11722	7.4
160.11227	4.4
161.09665	3.9
161.13242	3.0
162.12851	5.1
163.11206	3.8
164.07057	2.7
165.09135	14.8
167.08582	2.5
169.10149	8.1
170.11040	1.8
171.11737	10.2
172.11253	4.1
172.12572	1.5
173.09778	1.5
173.13290	3.3
174.12787	6.3
175.11217	4.3
178.08670	1.8
180.10361	1.7
181.10107	3.1
181.12300	3.3
182.10864	2.3
183.11732	7.5
184.11162	1.9
185.13301	3.5
186.12840	4.3
187.53450	1.5
188.14407	7.7
189.12827	2.4
192.10222	2.7
193.10143	3.2
194.11839	13.1
195.11751	3.3
197.13289	6.6
199.11293	1.6
203.14354	5.2
207.11870	2.3
208.12524	1.9
209.13306	4.5
215.14388	3.3
218.11812	3.3
219.12564	2.7
220.13371	3.1
221.13486	1.8
221.15372	34.5
223.14954	3.8
225.16434	2.3
232.13377	12.2
235.14955	3.1
237.16447	1.8
243.13875	2.9
249.16542	1.9
253.15916	1.7
258.14929	1.7
260.16510	3.3
281.19244	2.1
284.10080	1.5
291.21051	2.6
299.20071	21.6
304.22659	2.3
309.22235	4.6
325.21582	1.7
327.23306	9.7
341.09091	1.5
348.21899	4.2
358.78040	1.7
360.21765	9.0
382.23642	2.1
396.29025	26.4
421.08780	1.5
422.27054	4.0
440.28030	100.0
441.26508	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	440.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.05516	4.2
57.07084	1.9
67.05505	7.9
68.05029	10.9
69.03431	3.0
69.07068	3.8
70.03156	4.5
70.06597	41.8
71.04999	2.7
72.08146	1.1
79.05498	8.2
80.05018	3.9
81.07059	11.7
82.06588	3.7
83.04985	3.2
83.08611	2.2
83.42995	0.8
84.08157	6.4
85.02882	1.9
85.06535	3.5
85.46751	0.9
87.04469	2.0
91.05483	11.0
93.05824	1.2
93.07049	12.7
95.04997	3.4
95.08617	7.8
96.08143	7.3
97.06549	5.6
98.06066	2.0
100.07626	12.9
103.05484	1.3
105.07040	27.0
106.06561	1.7
107.04939	1.0
107.08597	12.1
108.08118	10.4
109.06524	6.5
109.10155	6.5
110.09708	1.5
111.08120	0.9
113.06009	1.5
113.09644	1.7
114.05540	7.7
115.05449	2.4
116.07042	2.1
117.07053	4.3
118.06525	0.9
119.07795	1.7
119.08585	19.3
120.08096	4.4
121.06535	1.3
121.10151	8.7
122.09666	3.4
123.08064	3.8
125.09647	2.4
126.09164	2.9
128.06230	3.2
128.07088	19.3
129.07014	6.2
130.07776	2.1
130.08698	1.4
131.08554	11.0
133.06502	1.5
133.10162	7.5
134.09659	2.9
135.08078	2.2
135.11719	2.3
136.11182	1.1
137.09630	3.4
137.10596	0.9
140.07072	1.7
141.06969	2.2
142.07764	4.9
142.08687	2.1
143.08559	11.7
144.09288	2.2
145.06552	2.3
145.08951	0.8
145.10123	18.4
146.09676	3.0
147.08046	2.4
147.10570	1.7
147.11642	6.3
148.11241	6.5
149.09630	1.2
151.07487	1.0
153.07018	1.1
154.08640	46.4
155.08604	4.7
155.10701	3.6
156.09338	5.6
157.10126	13.2
158.09637	1.4
158.99640	1.2
159.08080	1.6
159.11694	7.2
160.11224	4.4
161.09641	2.9
161.13268	2.1
162.12804	3.6
163.11218	2.8
164.07085	2.3
165.09111	9.3
167.08559	2.0
168.10242	2.0
169.10150	5.9
170.11003	1.3
170.99675	0.9
171.11708	9.9
172.11226	3.7
173.09674	1.2
173.11946	1.1
173.13252	2.6
174.12814	3.8
175.11218	4.1
175.14835	1.4
178.08713	1.9
179.08604	2.7
180.10182	1.5
181.10181	3.0
181.12306	1.8
182.10924	3.0
183.11674	5.9
183.18718	0.9
185.09622	1.2
185.13300	2.7
186.12729	2.3
187.11140	0.9
187.14832	1.1
188.14366	4.1
190.35690	0.9
192.10246	1.8
193.10210	3.2
194.11850	15.6
195.11681	4.5
197.13293	6.3
199.14828	1.7
203.14362	3.3
204.10141	1.2
206.11740	1.1
207.11874	1.7
209.13251	3.6
211.14890	1.6
214.15964	1.0
215.14380	2.2
216.10193	1.7
218.11833	3.3
219.01762	1.4
219.12605	1.9
220.13202	3.1
221.13274	2.4
221.15349	18.9
223.14810	3.8
225.12598	1.0
225.16414	2.3
232.13394	9.3
233.15489	1.1
235.14763	3.8
252.17674	1.1
258.14871	1.5
260.16415	2.4
263.07755	1.1
271.17108	1.4
272.16248	1.3
281.19080	2.0
284.16406	1.4
291.21115	3.0
299.20099	14.2
304.22723	1.7
309.22195	3.6
325.21634	1.5
327.23364	4.1
348.21729	3.5
360.21750	5.3
378.27887	2.8
396.29059	22.4
422.27023	1.8
437.09778	1.8
440.19437	5.5
440.28003	100.0
440.68707	1.0
441.28250	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	440.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26005	0.6
53.03947	1.2
55.01867	0.8
55.05512	4.2
56.97396	0.7
57.07073	2.0
59.04992	0.9
63.90158	0.7
65.03951	0.8
66.55933	0.7
67.05505	8.7
67.17682	0.6
68.05031	11.3
69.03417	2.4
69.07055	3.3
69.64155	4.2
70.06598	42.4
71.04991	2.6
77.03906	0.7
77.37222	0.8
79.05499	8.0
80.05022	4.1
81.07063	13.1
82.06588	3.8
83.05003	3.8
83.08615	3.3
83.29692	0.7
84.08150	10.4
85.02930	0.7
85.06543	2.5
87.04484	1.3
87.86906	0.8
91.05486	11.5
91.94579	0.7
93.07056	10.8
94.06570	1.5
94.89685	0.7
95.04975	4.4
95.08611	7.6
96.08144	7.1
96.75422	0.6
97.06526	4.2
98.06046	2.1
100.07621	13.6
105.07038	31.1
106.06538	1.3
107.07407	1.2
107.08606	11.5
108.08126	12.8
109.06527	6.2
109.10168	7.9
110.09711	0.9
111.08105	2.1
113.09639	1.5
114.05550	6.2
115.05451	1.7
116.07106	2.2
117.07027	4.9
119.08592	21.7
120.08080	3.7
121.06548	1.8
121.10148	7.7
122.09660	3.3
123.08064	4.0
123.11738	1.2
125.09652	1.8
126.09146	1.5
128.06206	2.7
128.07085	20.7
129.07028	5.2
130.07793	2.1
130.08661	4.3
131.08571	10.3
132.08104	1.8
133.06485	1.0
133.10115	7.3
134.09642	3.7
135.08051	2.2
135.11693	2.8
136.11211	1.2
137.06055	1.2
137.09610	2.6
140.07053	1.3
141.07027	2.3
142.07779	5.6
142.08702	1.9
143.08569	13.6
144.09329	2.6
145.08945	1.2
145.10139	20.4
146.09653	2.3
147.08067	2.4
147.10573	1.2
147.11710	5.9
148.11214	6.3
149.09605	1.3
151.07582	1.1
152.07062	0.9
154.08652	49.3
155.08577	5.8
155.10628	4.0
156.09358	4.5
157.10139	16.2
158.09650	1.0
158.10910	1.6
159.08078	1.5
159.11720	6.8
160.11215	4.0
161.09621	3.4
161.13295	1.7
162.12822	3.6
163.11174	2.6
164.07085	2.6
165.06972	1.2
165.09117	7.7
166.12309	1.5
167.08582	2.7
168.10376	1.7
169.10129	7.1
170.09593	0.9
170.10904	1.9
171.10367	0.9
171.11700	10.6
172.11235	5.6
173.11972	1.1
173.13281	3.7
174.12807	4.6
175.11203	3.4
178.08681	3.4
179.08563	1.9
179.14272	1.2
181.10138	3.1
181.12270	1.7
182.10966	2.4
183.11722	7.3
184.11171	0.8
185.09695	0.9
185.13258	2.6
186.12811	2.6
188.14357	3.0
189.12753	1.2
191.14331	0.9
192.10284	4.0
193.10213	3.1
194.11836	18.6
195.11737	4.8
196.12534	1.3
197.13254	6.1
198.12706	1.3
199.11226	1.0
199.14877	2.4
203.14340	3.9
205.10236	1.0
206.11218	1.0
207.11786	3.0
208.12642	1.4
209.13327	3.8
211.14799	2.3
215.14336	2.5
216.10149	1.8
218.11780	3.5
219.12511	1.7
220.13489	4.5
221.13271	2.5
221.15350	21.4
223.14861	3.0
225.16463	1.9
230.11778	0.9
232.13362	9.5
233.13493	0.8
235.14880	2.5
240.17564	1.0
248.16281	1.1
249.16348	1.7
253.16005	1.5
258.15100	0.8
260.16507	2.7
266.19208	0.9
270.14896	1.2
272.16537	1.0
276.27133	0.8
281.19202	1.3
284.16418	1.5
291.21100	3.1
299.20111	13.2
304.22678	2.0
309.22131	3.0
325.21631	1.4
327.23306	4.7
339.21967	0.9
348.21637	4.6
360.21646	4.1
376.20963	0.9
378.27917	2.4
382.23834	1.4
384.18372	0.8
396.28995	20.6
406.70279	0.8
422.26981	3.1
440.28018	100.0
449.92709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73336	0.2
65.03933	0.9
67.04245	0.4
68.05023	0.3
69.03419	0.6
69.84768	1.0
70.06573	0.3
72.08150	0.5
78.03451	0.3
80.05023	0.3
81.03410	0.6
82.06589	17.0
83.07345	0.5
84.08148	0.4
85.02898	0.5
91.05491	23.0
96.04514	0.4
97.02859	0.3
98.06075	0.5
100.07629	4.4
105.07043	0.5
106.02938	1.1
108.04479	0.3
114.05542	0.6
117.07097	0.2
119.04981	0.4
123.04444	2.8
124.03955	1.9
128.07092	100.0
129.07423	0.7
131.08583	0.4
135.04413	0.5
142.08679	1.4
144.08102	0.2
145.02896	0.4
145.06506	0.3
147.04430	0.8
148.07547	0.2
163.03926	3.0
168.06612	0.6
168.08150	0.2
172.07687	0.2
173.05930	0.4
175.03883	0.6
185.06053	0.3
186.05663	0.3
186.07655	0.5
188.09210	2.7
189.05557	0.2
193.04942	0.3
196.07634	0.3
200.07074	0.7
201.05493	2.7
213.05481	1.1
214.08667	0.5
215.07188	0.4
216.06630	0.3
218.11795	4.9
225.05617	0.3
228.06560	0.8
229.07320	0.3
230.10165	0.4
241.05029	0.4
242.05899	0.4
242.08214	1.4
244.09731	0.8
250.07175	0.4
254.08192	0.3
268.08270	1.0
270.07642	9.4
271.08353	0.2
272.09192	1.9
278.14270	0.4
278.17554	0.5
286.12744	0.4
288.08652	0.3
296.11304	0.7
300.08591	0.3
314.12402	1.9
326.07462	0.3
331.48123	0.2
332.13422	9.7
380.11441	0.4
394.13040	0.4
394.18454	0.5
422.12491	6.9
422.18195	0.7
434.94852	0.2
440.13431	7.0
440.19260	15.3
441.13782	0.3
441.19775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89821	0.3
51.89300	0.3
55.01874	1.5
58.06611	1.3
61.02937	2.7
68.05032	0.7
69.03426	0.4
70.06607	2.3
71.01349	0.3
71.52837	0.4
73.02908	0.6
74.09720	0.8
81.03413	0.5
82.06592	1.4
83.07326	0.3
84.08152	4.2
84.74088	0.2
85.02894	0.3
87.21860	0.3
88.03998	5.3
90.75768	0.3
91.05486	0.3
93.03416	0.5
95.04945	0.4
97.02905	0.7
98.78767	0.3
98.97554	0.3
100.07640	0.4
103.31293	0.3
109.02866	0.6
117.07000	0.4
121.02888	1.3
124.07590	0.5
128.06221	0.5
128.07085	4.3
135.04398	0.3
139.03876	0.5
141.05460	0.6
141.06981	0.5
143.78795	0.3
145.06491	0.6
147.04428	0.7
155.06123	0.3
157.06479	0.7
159.04410	0.3
159.08063	0.6
161.05978	0.8
163.03894	1.2
165.05580	0.3
165.07007	0.4
169.06511	0.8
171.08044	0.8
173.06027	1.4
173.09564	0.3
175.03941	0.8
175.07570	0.4
181.06487	0.5
183.08183	0.4
185.06020	1.0
187.03935	0.7
187.07553	2.0
189.05446	0.7
189.09084	0.6
191.07054	0.5
193.04912	0.4
197.06032	2.1
199.03914	0.8
199.07626	1.0
201.05464	2.2
203.07057	1.2
205.05006	1.3
205.08609	0.6
209.06169	0.4
211.03981	0.3
211.07574	0.8
213.05508	2.3
214.06361	0.4
214.08665	0.3
215.03459	0.3
215.07062	3.5
217.05061	1.8
217.08595	1.1
219.02980	0.5
219.06429	1.3
221.05978	0.4
221.07999	0.5
223.04033	0.4
225.05519	2.0
226.06274	0.4
227.07001	2.1
228.10194	0.3
229.05003	2.5
229.08662	1.0
231.06523	2.3
232.07123	0.3
233.08122	1.8
237.05556	0.5
239.07079	2.2
241.05077	0.9
241.08647	1.1
242.05714	1.7
243.06537	6.6
245.08194	2.3
247.05908	1.4
247.09717	0.6
251.07074	0.5
253.05066	0.7
255.06628	1.3
256.07361	0.4
257.08127	2.6
257.10535	0.8
258.05295	0.3
258.11395	1.1
259.06058	4.7
259.09637	1.1
260.06802	0.3
261.07587	1.5
267.06613	1.7
269.08041	1.4
271.06039	8.9
273.07516	1.6
274.10803	0.6
275.09183	1.8
276.12302	0.7
277.07080	0.8
278.10489	0.3
283.05954	1.0
285.07590	5.4
287.09149	4.8
287.12103	0.4
289.07025	0.8
291.08749	0.4
295.05942	0.9
299.09195	0.3
300.12384	1.4
301.07166	2.7
303.08578	1.6
305.10361	0.8
313.07010	3.5
315.08652	0.9
316.11823	10.3
317.10315	0.7
318.13470	1.5
320.11285	1.4
331.08173	3.6
343.08093	0.4
345.09753	0.9
346.12979	1.5
355.08136	0.4
358.12817	0.5
360.14130	0.4
361.09079	0.4
362.12350	12.7
363.10678	0.4
376.13940	2.8
392.13550	1.0
394.14966	3.9
404.13474	0.4
409.11118	0.4
422.14523	7.5
424.72433	0.3
440.15570	100.0
441.15918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77571	1.1
57.19854	1.1
58.06592	1.3
58.99591	5.8
59.43087	1.0
60.55148	1.1
61.01159	1.1
66.43185	1.0
67.05504	2.2
69.03451	1.6
70.06595	3.8
70.84492	3.1
72.08150	2.5
76.02235	8.3
84.04517	1.8
84.08149	3.8
85.02902	3.5
86.09733	1.7
86.99062	1.3
90.61396	1.3
91.05472	1.8
92.06207	1.2
97.02933	1.5
99.78471	1.1
100.02200	6.2
105.00098	1.9
113.88805	1.2
116.07127	1.7
121.02857	2.8
124.03958	1.7
127.03987	1.4
128.07080	3.1
129.10268	1.6
135.04402	1.8
136.07588	1.2
137.06990	1.1
146.02699	7.1
146.05959	1.2
158.09613	1.6
163.03912	11.3
170.09697	1.4
172.07639	2.4
175.08696	1.7
186.09164	3.3
188.03770	2.4
189.10233	2.3
196.07579	1.5
198.09171	4.7
200.07240	1.3
212.10849	2.0
213.10251	10.0
214.08673	3.3
215.08443	1.3
215.11842	4.8
217.09697	3.4
224.07021	1.8
227.11983	1.4
228.10156	1.5
235.10809	6.8
240.08995	3.3
241.09735	29.0
242.08194	4.3
242.10449	1.3
243.11340	19.0
254.06323	1.3
254.10487	2.5
255.11276	6.1
256.10681	1.7
258.12476	12.3
259.10812	27.7
260.09189	2.9
270.07755	1.3
271.13184	1.6
273.06735	1.8
273.12320	2.1
283.10840	9.3
284.09323	2.0
284.13931	1.8
285.12320	12.3
286.09558	2.4
295.05881	1.4
296.06430	2.9
299.08569	2.9
301.11868	24.8
302.10132	2.8
303.13400	3.7
308.06497	3.3
309.07056	1.4
316.10736	1.4
317.13669	20.9
318.12781	3.6
319.13071	5.6
322.08090	1.9
325.07092	1.5
326.07382	8.0
326.14758	1.4
362.11581	9.5
363.10117	4.2
364.09146	1.5
366.10498	2.1
392.08401	3.1
404.08115	1.9
404.12741	16.7
405.11075	5.9
410.09625	1.6
422.13895	100.0
423.12381	12.4
440.10294	14.4
440.19461	1.4
441.11237	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.4
55.05518	13.4
57.07076	8.5
60.26896	2.0
67.05518	17.1
69.07080	21.8
69.86138	10.2
71.04980	2.1
71.08637	7.1
75.38358	2.1
75.48511	2.1
79.05513	13.3
81.07066	40.8
83.08661	11.2
89.06042	25.6
90.06348	6.3
91.05471	11.7
93.07052	36.9
95.04987	2.7
95.08623	74.7
97.10177	3.2
98.21429	2.7
105.07050	29.0
107.08607	57.7
109.09473	3.6
109.10170	44.6
111.11726	3.5
117.07002	2.6
118.89974	2.5
119.08597	51.9
121.10158	44.0
123.11711	18.7
125.09638	5.4
127.11186	3.3
129.06981	2.9
131.08588	7.0
133.08650	13.8
133.10152	40.4
134.08940	2.5
134.24115	2.1
135.11720	29.8
137.13271	4.6
143.08566	3.1
145.10118	12.5
147.11691	39.4
149.13258	20.6
151.11156	3.1
153.09128	4.9
157.10164	5.2
159.11743	14.5
161.13269	22.6
163.14838	17.1
165.09135	2.3
167.10690	6.1
167.11993	2.3
171.11732	4.7
173.13290	8.5
175.14859	15.4
177.11296	4.1
177.16440	11.0
181.12041	2.5
185.13309	3.8
187.14880	5.2
189.16409	43.9
191.17975	100.0
192.76038	2.2
199.14751	2.7
201.16383	8.7
203.17975	83.6
205.19518	21.7
213.16400	2.8
215.17996	6.9
217.19478	11.8
221.18933	2.6
229.19507	4.8
231.17505	4.9
231.21097	4.3
235.16924	6.0
239.14978	16.3
240.15277	13.7
243.21140	3.5
247.16879	5.0
249.18509	24.3
255.21053	3.9
261.18784	3.7
269.22983	2.6
393.35190	9.7
421.34641	8.3
439.22562	5.9
439.35876	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03944	6.9
55.05514	23.8
57.07069	8.6
67.05511	45.1
69.03436	7.2
69.07070	38.4
71.04996	13.6
71.53538	4.6
79.05504	23.3
80.27567	3.8
81.07063	81.5
82.52491	3.4
83.08616	16.9
85.06566	3.6
89.06042	13.7
91.05486	33.9
93.07053	92.1
95.08611	79.7
95.09177	6.8
97.06535	8.8
97.10186	7.7
99.08099	7.9
105.04585	4.3
105.07030	62.1
107.08605	92.2
109.06521	6.2
109.10165	93.3
111.08095	6.5
111.11739	4.2
117.07017	12.6
119.08588	68.5
119.99774	3.4
121.10153	58.0
121.54787	3.5
123.08118	6.1
123.11726	26.6
125.09654	15.7
127.07603	3.7
127.11224	25.3
129.07008	5.8
131.08583	23.5
133.08604	7.4
133.10139	50.1
135.08044	5.2
135.11717	63.1
137.09641	9.6
137.13272	8.5
142.07770	4.3
143.08568	14.5
143.10727	3.9
144.09297	4.3
145.10150	44.4
147.08060	3.8
147.11700	49.7
149.09604	4.5
149.13255	31.0
151.11174	6.0
153.12708	6.2
155.08510	5.2
157.10168	14.5
159.11703	37.6
161.09625	8.0
161.13277	29.2
163.11177	8.2
163.14856	10.0
165.09109	18.2
169.10135	4.1
171.11642	20.1
173.13260	22.1
175.14821	22.0
177.12752	6.7
177.16449	12.7
183.11737	7.0
185.13264	19.9
187.11227	4.5
187.14839	19.3
189.12895	4.7
189.16400	11.0
191.17979	4.2
193.15919	4.7
197.13231	9.5
199.14871	12.2
201.16386	26.1
203.14316	4.7
203.17982	24.4
211.14851	9.6
213.16408	9.6
215.17984	12.2
223.14842	4.0
225.16422	7.7
227.17880	6.5
227.97023	3.8
229.15852	4.8
229.19499	7.9
231.17566	4.9
239.14932	7.4
240.15314	6.2
241.19441	4.6
243.17513	5.7
245.19032	5.0
253.19539	6.8
257.22714	3.9
261.52280	3.5
269.22635	4.2
284.11975	3.8
285.22177	5.1
335.27167	9.6
403.33298	8.8
421.34650	55.1
434.64731	3.9
439.35895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	10.2
57.07087	2.0
57.20000	1.4
57.40213	1.4
58.06600	1.4
67.05507	14.6
69.03428	3.6
69.07072	13.5
70.06590	2.0
71.08634	1.7
71.53126	1.9
72.08161	7.0
79.05492	10.0
81.03436	2.4
81.07058	23.5
82.13010	1.4
83.08614	9.3
91.05492	9.7
93.07045	22.6
95.04943	2.8
95.08615	50.1
97.10165	5.8
103.05451	3.3
105.07039	23.4
105.11481	1.3
107.04976	1.8
107.08601	41.2
109.10162	36.2
117.06999	3.4
119.08593	41.6
121.10146	31.8
123.11713	15.3
129.07059	1.7
131.04944	9.9
131.08565	4.9
132.05737	11.0
133.06471	1.4
133.10133	33.5
135.11696	26.8
137.13263	6.0
141.26155	1.3
145.10118	7.8
147.04370	1.6
147.11702	35.4
149.05991	1.5
149.13261	21.5
153.09114	6.6
159.11716	6.1
160.05234	3.6
161.05984	3.6
161.13257	17.2
163.14847	10.0
165.09103	4.8
167.07011	2.4
167.10707	2.8
171.11736	1.7
173.13286	2.6
175.14824	10.6
177.05444	2.6
177.16406	7.3
179.10635	2.6
187.14839	2.9
189.16388	53.2
191.07028	6.6
191.17958	82.9
192.07838	22.7
196.29401	1.7
199.03912	4.9
199.14760	2.0
201.16377	16.9
203.17967	100.0
205.19551	24.1
207.06538	1.9
207.17462	1.9
215.17958	6.1
217.19568	11.8
219.20926	2.0
221.18944	5.6
231.17395	2.3
231.21048	2.4
235.17023	8.3
241.19417	2.1
243.21141	1.8
245.22687	3.5
247.16824	8.1
249.18520	23.8
257.22565	2.5
261.18518	3.2
278.11447	2.1
283.24072	1.5
301.21832	2.2
315.22772	1.6
321.07608	7.7
325.18481	3.2
353.10172	2.5
355.26309	1.7
368.15735	1.8
393.35107	8.3
422.08560	1.8
439.22617	7.8
439.35800	35.6
442.22891	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	17.4
57.02286	3.6
57.07079	8.0
65.03955	3.8
67.05517	34.4
69.03416	8.1
69.07072	29.4
69.20461	38.2
71.03320	3.9
71.04987	7.6
79.05494	33.0
81.07066	64.5
83.04982	13.1
83.08633	7.3
85.06557	9.0
89.06042	14.5
91.05490	31.6
91.21231	3.5
93.07049	84.8
95.04980	8.1
95.08614	67.6
97.06525	4.5
98.20806	7.1
105.07041	50.9
107.08601	66.3
109.06539	6.0
109.09470	6.4
109.10165	83.7
111.08076	4.9
117.06961	5.6
119.08582	63.3
121.06509	3.9
121.10156	100.0
123.08099	8.5
123.11745	27.3
125.09642	14.8
127.11196	19.9
129.07010	4.5
131.08614	21.0
133.08612	9.4
133.10132	42.0
135.08011	3.6
135.11711	40.9
137.09637	4.3
137.13269	7.2
138.46677	3.8
143.08607	9.9
145.10147	36.7
147.08087	6.3
147.11687	38.7
149.09599	9.6
149.13261	16.6
151.11211	8.8
155.08548	5.5
157.10133	20.1
159.11722	35.0
161.13284	15.7
163.14845	5.4
165.12839	5.0
169.10143	5.7
171.11746	10.6
173.13275	16.6
175.11221	20.3
175.14859	16.8
177.11284	6.6
177.16396	8.1
183.11737	10.6
185.13245	14.1
187.14864	15.0
189.16415	8.8
191.18004	4.9
195.17398	5.2
197.13228	5.3
199.14832	14.9
201.16443	34.3
203.14371	4.2
203.17958	18.0
205.15816	5.4
211.14819	5.0
213.16402	19.0
215.18016	6.7
217.15952	6.3
219.17677	4.3
225.16335	8.2
227.17906	10.9
229.19571	6.2
231.17419	28.7
239.14931	8.7
239.17906	5.7
240.15216	10.8
243.17534	6.2
245.19089	4.7
281.22723	4.7
347.27356	7.6
353.28625	3.8
365.28226	18.8
379.85715	4.3
383.29413	10.4
403.33554	9.1
421.34805	32.5
439.30823	5.4
439.35941	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.05309	0.6
55.05511	6.8
56.96542	0.7
57.07068	2.5
65.03932	1.0
67.05511	6.4
67.42074	0.6
69.06727	1.0
69.07072	14.1
76.69020	0.6
77.03947	0.8
79.05500	4.9
79.52835	0.7
81.03431	1.0
81.07066	17.0
83.08619	4.6
91.05493	6.2
93.07049	13.2
94.04198	2.6
95.04990	0.8
95.08618	32.0
96.82932	0.7
97.10167	2.9
105.07044	14.4
106.45477	0.8
106.51418	0.6
107.04968	3.6
107.08603	23.2
109.06529	1.2
109.10163	20.9
111.11744	1.0
119.08591	25.5
121.10155	18.9
121.10929	0.5
122.03663	8.1
123.04398	1.3
123.11715	9.5
129.07019	0.8
131.08586	2.8
133.06494	0.7
133.10139	21.0
135.04449	5.1
135.11705	16.1
136.05223	1.6
137.05988	100.0
137.13240	3.7
138.06412	0.8
139.07591	1.6
143.04967	1.7
144.05653	0.8
145.10185	3.7
147.11691	21.7
147.12805	1.4
149.13275	12.6
149.14424	0.6
151.03918	6.6
151.07550	13.8
151.08662	1.0
151.19131	0.7
153.09093	4.3
158.07314	2.9
159.08134	1.2
159.11725	2.6
160.12451	0.9
161.06046	0.9
161.13277	10.0
163.14830	5.5
165.05478	19.5
165.09198	1.5
167.10695	2.8
171.11584	0.8
173.13278	2.8
174.06865	1.6
175.07611	0.8
175.14851	7.6
177.09212	0.8
177.16411	4.2
179.07132	1.1
179.10623	0.7
179.17950	0.8
185.13161	0.7
187.14885	2.7
189.09106	5.7
189.16396	31.0
191.17961	47.5
193.12334	1.0
199.14851	1.4
201.16397	10.2
203.17969	68.3
204.18404	0.9
205.08635	1.8
205.19542	15.4
207.17468	1.0
213.16496	1.1
213.26067	0.7
215.17960	3.8
217.08611	2.7
217.19528	5.4
219.10211	3.0
221.15456	1.0
221.19035	3.4
229.19548	1.0
231.17500	1.5
231.21095	2.6
235.16994	4.0
243.21178	1.2
245.22676	1.9
247.16910	4.9
249.18500	13.5
249.20868	1.1
255.21054	1.0
257.22784	1.1
261.18591	2.3
287.19958	0.9
289.21622	1.0
291.10358	0.8
335.13272	0.8
341.13861	11.6
342.05344	0.7
353.14099	1.0
358.16519	1.3
369.13507	1.2
369.68979	0.8
370.14172	1.6
371.14929	8.7
387.60620	0.7
393.35184	4.3
409.20175	8.8
421.34644	1.1
439.21036	29.4
439.35764	23.0
440.21436	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3576
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03945	2.0
55.05504	5.5
57.07063	1.9
63.45549	1.2
67.05522	11.0
69.03423	5.3
69.07076	12.4
69.71141	5.7
71.05014	2.7
79.05491	11.9
81.07056	29.0
83.04981	4.4
83.08627	5.0
85.06567	1.3
89.06026	5.6
90.06329	1.3
91.05471	12.9
93.07051	21.5
95.04985	1.7
95.08614	23.2
97.06530	4.0
97.10184	1.5
99.08100	1.8
105.07037	19.8
107.08602	40.7
109.06504	2.4
109.10156	21.7
111.08077	2.0
117.07050	3.1
119.06034	1.8
119.08597	17.2
121.06480	1.5
121.10148	22.7
123.08060	2.4
123.11720	8.5
125.09656	2.9
127.11166	2.1
129.07010	1.4
131.08559	8.6
133.08611	2.6
133.10124	16.0
134.08977	1.3
134.92706	1.3
135.08058	20.7
135.11699	18.8
137.09644	3.8
137.13297	2.5
139.11140	1.5
144.09308	1.5
145.10150	9.9
147.11685	10.4
149.09630	100.0
149.13248	9.3
151.11221	5.1
153.12737	2.5
155.01636	1.4
157.10149	3.8
159.11720	8.5
161.09637	3.1
161.13232	6.1
163.11237	6.2
163.14836	2.5
169.10214	2.6
171.11690	3.7
171.23215	1.4
173.13277	6.0
175.11183	2.2
175.14841	4.9
177.12935	1.3
177.16405	4.1
183.11794	2.3
185.13307	3.2
187.14838	5.3
189.16400	4.6
191.14326	8.3
191.18085	2.6
199.15009	3.0
201.16467	5.3
203.17960	3.1
211.14935	2.3
213.16583	2.3
215.17986	2.0
217.15900	2.1
217.19589	2.0
225.16441	1.7
227.17900	2.0
229.19563	1.7
231.17520	2.1
239.14882	4.7
240.15309	3.0
243.17523	1.9
253.19502	1.4
269.22565	1.6
276.50555	1.2
283.24158	1.4
285.22180	1.7
299.23514	1.8
313.25406	1.7
403.33563	1.8
421.34586	20.7
439.35724	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.05510	17.1
56.05024	2.2
57.07067	4.3
58.06591	3.0
67.05512	20.8
69.07082	20.4
69.86249	11.6
70.06602	2.4
72.08174	16.2
79.05499	15.0
81.03406	2.5
81.07063	34.9
83.04943	2.4
83.08614	9.1
85.06526	2.5
89.48432	2.1
91.05507	13.8
93.07056	30.1
95.04976	2.5
95.08620	66.4
97.10168	4.8
99.04481	2.0
105.07031	27.6
107.08608	48.2
109.10169	44.1
111.04391	2.5
111.11784	2.1
117.07026	4.4
119.08592	57.0
121.10162	38.1
123.08063	2.5
123.11723	20.9
131.08554	4.4
133.10141	31.0
135.11702	28.7
136.78404	1.9
137.06021	10.4
137.13266	7.8
143.05043	2.0
145.10135	12.8
146.10680	2.2
147.11699	40.1
149.02257	2.5
149.13286	25.7
153.09120	5.9
159.11717	4.5
161.13301	24.6
163.14850	12.9
165.09152	10.0
167.10706	3.3
173.05946	2.6
173.13303	5.9
175.14798	12.5
177.16354	9.2
179.10692	2.3
181.84233	1.9
187.14865	5.9
189.16397	59.5
191.17969	80.4
193.12320	3.6
201.16402	21.5
203.17979	100.0
205.19514	26.7
207.17485	3.0
215.17975	8.0
217.19501	14.2
221.19051	3.2
231.20992	2.4
235.16959	8.0
245.22810	3.6
247.16891	12.2
249.18532	19.9
255.15590	2.3
261.18622	3.4
325.18420	4.8
358.15320	2.3
393.35068	10.8
421.21402	3.2
439.23169	6.8
439.35919	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	439.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01884	2.7
55.05502	5.8
57.03433	3.4
57.07085	8.3
58.06588	5.3
61.02924	2.5
64.38183	1.4
65.03912	1.3
67.05508	12.2
68.99778	1.7
69.03447	11.7
69.07073	23.0
69.11848	1.1
69.92860	4.6
70.06604	6.4
71.04990	3.7
71.08623	1.9
72.08169	3.3
73.02916	2.5
75.13908	1.3
79.05515	6.3
81.03438	11.5
81.07066	85.1
83.08617	5.7
84.04506	2.4
84.08140	2.8
85.02920	22.8
85.06084	1.8
85.06558	27.7
86.09721	2.2
87.00832	9.5
91.05466	3.6
93.07071	3.1
95.05006	2.4
95.08622	46.5
97.02914	9.8
97.06581	2.2
97.10100	1.8
98.97570	1.2
99.04450	4.7
99.08105	25.7
105.01884	7.3
105.07021	2.8
106.02899	1.4
107.04945	2.4
107.08589	2.4
109.02897	8.5
109.10168	7.4
111.04481	2.5
111.11723	3.6
119.04918	1.3
120.08110	1.3
121.06483	1.5
121.10098	1.4
123.04438	3.5
124.03983	2.9
126.05524	1.3
127.03922	13.8
131.04939	2.0
133.02866	2.8
133.10133	1.8
135.04367	1.4
135.11748	1.6
136.03946	1.6
137.06038	1.5
137.13277	31.1
139.03903	2.8
141.05426	2.3
142.05890	1.5
143.14334	6.0
145.04962	2.6
147.04390	1.9
149.02367	3.4
149.03461	1.7
151.02753	2.2
151.03923	32.7
151.05101	2.8
152.04234	5.1
153.01845	10.2
153.04408	1.6
154.02191	3.7
154.98013	2.5
155.14322	79.3
159.02870	2.3
160.07570	2.0
161.05940	1.7
161.09415	1.2
161.20479	1.2
163.03877	3.3
165.05548	1.6
166.06163	4.5
167.01561	1.9
167.06708	1.8
169.04982	2.1
173.15399	100.0
174.29393	1.3
177.03020	9.1
178.03714	7.4
179.04521	7.4
191.07068	5.7
191.16438	14.8
193.04832	1.3
194.03624	1.2
217.04921	2.1
223.92824	1.2
231.04938	2.2
234.79115	1.2
249.05798	1.4
262.02557	1.7
274.45685	1.1
275.10385	1.6
298.09219	1.6
304.03244	2.6
307.08017	1.5
307.13004	1.9
310.07938	1.4
332.03079	3.1
349.03815	2.8
350.04175	12.7
368.05164	3.3
376.05945	1.8
422.05957	5.3
439.09039	4.3
439.17191	1.7
439.24170	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	439.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.01883	4.2
55.05516	6.9
57.03436	4.6
57.07073	6.7
58.06599	7.2
61.02924	2.9
65.03930	2.3
67.05514	12.1
69.03439	12.5
69.07076	21.3
69.42886	3.3
69.43282	12.6
70.06593	8.1
71.04988	4.8
71.08646	2.2
72.08157	3.6
79.05492	6.7
81.03445	13.2
81.07070	76.5
83.08633	6.0
84.04510	2.5
84.08160	4.5
85.02917	30.9
85.06556	24.0
86.09717	3.0
86.99982	1.8
87.00843	11.1
87.22954	1.9
91.05480	4.3
93.07081	3.4
95.04959	2.3
95.08067	2.9
95.08625	46.1
97.02911	14.5
99.04493	4.8
99.08103	25.1
105.01873	8.5
106.02927	1.9
107.04966	2.3
109.02901	10.3
109.10151	4.4
110.07145	2.0
111.11726	4.0
112.26097	2.0
115.13179	2.1
121.02846	3.1
121.10124	3.0
123.04458	3.0
124.03899	2.2
127.03931	15.0
131.04953	3.9
133.02954	2.4
133.04970	4.5
134.03198	1.9
135.04462	2.4
135.11696	2.1
137.06042	2.0
137.13272	29.9
139.03914	2.7
141.05466	5.8
142.05858	2.7
143.14293	3.2
145.04918	5.6
147.04436	3.2
149.02353	4.3
149.03471	2.6
150.02678	2.7
151.03932	21.8
151.05020	3.6
152.04254	6.0
152.55629	2.1
153.01874	18.7
153.04451	3.6
153.14760	2.2
154.02107	9.6
154.04814	4.8
154.97952	3.9
155.14320	77.2
160.07500	2.3
161.05956	2.9
163.03926	6.4
165.01932	2.3
165.05571	2.5
166.06184	7.7
167.01662	6.5
167.06674	3.5
168.02066	2.7
169.03142	2.0
173.15402	100.0
174.16150	2.1
177.02980	8.8
178.03764	10.3
179.04546	8.0
191.07062	7.7
191.16423	19.9
221.11505	2.0
231.04950	2.6
262.02563	3.0
275.09961	2.5
276.03976	3.7
299.09387	3.6
310.07806	3.1
332.03061	5.6
349.03812	5.3
350.04184	21.0
368.05219	4.5
376.05740	5.3
421.12070	2.5
422.06320	9.4
439.08987	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	439.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.6
53.44329	1.3
55.01884	2.6
55.05523	5.2
57.03427	1.8
57.07073	2.3
58.06568	1.5
61.02932	1.7
62.06096	14.5
63.06430	2.2
67.05175	2.2
67.05512	24.5
69.03435	10.2
69.07064	10.9
69.96897	4.8
70.06589	6.4
71.04602	2.5
71.04997	40.8
71.08651	3.0
72.08175	3.3
79.05514	7.9
81.03430	7.0
81.07064	94.4
83.08628	2.2
84.08155	4.6
85.02914	20.9
85.06548	27.1
86.09722	2.8
87.00836	11.7
91.05483	2.1
93.07046	4.0
95.04967	3.3
95.08614	83.8
97.02894	8.9
99.04461	3.4
99.08099	8.7
105.01888	7.0
107.08625	2.2
109.02895	6.2
109.06550	1.4
109.10168	12.6
120.08122	2.8
121.10153	2.2
123.11666	1.6
124.41790	1.2
127.03939	14.4
129.01866	1.3
132.21904	1.3
133.10123	1.7
136.07545	1.5
137.13260	19.3
145.04958	3.9
155.14317	100.0
156.14673	2.0
159.02864	2.8
173.15392	87.8
182.55809	1.3
191.16417	21.6
201.32426	1.4
231.05013	2.7
241.20027	3.8
258.20728	6.4
259.21011	14.6
277.22113	1.8
301.31076	1.4
353.01147	1.6
375.40662	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63277	1.3
52.88025	1.3
55.01860	4.5
55.05501	3.8
57.07051	2.7
59.29427	1.2
65.03944	1.8
65.04916	1.4
67.05505	9.2
69.03418	2.4
69.06737	1.6
69.07073	19.9
69.57745	5.7
69.58151	3.4
71.04972	2.6
79.05478	5.1
81.03400	2.7
81.07056	16.5
83.04988	8.1
83.08604	2.2
91.05476	7.6
93.07056	9.9
94.04175	1.9
95.04998	1.9
95.08607	14.2
97.10197	2.1
98.21409	2.4
99.08036	1.8
103.05453	4.1
105.07029	11.6
107.04955	2.2
107.08594	9.4
108.02125	2.7
109.06483	2.0
109.10172	9.0
111.04404	1.9
113.06011	1.5
115.05452	2.8
117.07011	6.6
119.08574	6.6
121.06499	10.1
121.10137	7.0
122.03615	5.8
123.11669	1.9
125.09621	2.7
127.11207	2.7
128.06212	1.9
129.07016	7.1
131.04950	7.2
131.08556	5.6
133.10109	6.5
135.04442	2.5
135.08064	4.7
135.11681	4.9
136.05084	1.5
137.05983	73.2
137.13240	1.9
141.07007	4.0
143.04901	6.3
143.08545	5.3
144.05713	2.6
145.06441	9.7
145.10152	7.6
147.08002	1.8
147.11671	5.0
149.05907	2.7
149.13348	1.5
151.03925	100.0
151.05034	8.3
151.07527	18.1
155.08501	3.4
157.06558	7.1
157.10194	7.2
158.07301	1.9
159.08014	4.3
159.11696	7.6
160.05203	2.9
161.05983	3.5
161.13225	2.7
163.07573	12.8
163.11165	3.0
165.05502	6.2
165.06882	2.2
167.08507	2.4
169.06447	2.5
169.10094	2.8
171.07999	3.5
171.11661	2.2
172.08817	2.0
173.09644	8.2
173.13277	3.0
174.06642	2.1
175.07562	21.2
175.14824	3.3
177.09172	9.7
179.06998	1.4
179.08510	3.1
181.06480	3.4
181.10149	2.2
183.08023	2.8
183.11621	2.9
185.09584	3.3
185.13200	1.9
186.66290	1.6
187.07539	9.8
187.11250	3.0
187.14771	3.2
188.08304	2.9
189.09082	13.7
191.08888	1.7
191.10573	7.9
191.14305	1.8
194.07225	1.9
195.08047	2.5
197.09639	2.3
197.13351	2.7
199.07574	3.6
199.11223	2.2
199.14818	2.4
201.09048	5.3
201.16397	3.0
203.07030	2.9
203.10657	8.3
203.18109	2.5
205.08539	10.5
205.12204	20.0
207.11775	1.9
208.08806	1.9
209.09587	3.2
209.13222	2.7
211.07587	2.7
211.11159	2.2
213.09129	3.4
213.16393	1.8
215.10728	3.7
215.17952	1.6
217.08580	4.6
217.12231	13.6
219.10463	2.1
219.13806	54.9
221.09557	2.0
223.11186	2.1
224.08261	4.4
225.09073	4.4
226.09921	1.7
227.10709	3.4
231.07933	1.7
231.13843	2.2
233.11714	3.7
237.09152	3.0
238.09694	2.6
239.07077	2.6
239.10699	3.8
239.14380	2.2
240.07863	5.1
241.08600	2.7
241.12236	3.4
243.13875	3.5
251.07050	1.5
251.10796	2.4
252.07768	2.6
253.08482	3.9
254.09448	4.6
255.13820	12.7
261.09058	4.4
262.09921	2.2
265.08456	1.7
265.12396	2.4
267.10126	4.7
267.13824	2.6
269.11743	7.2
269.15128	2.9
275.10663	2.7
276.07587	1.7
276.11758	2.1
277.08563	9.1
277.11935	2.9
279.10135	1.5
279.13705	2.2
280.07364	4.8
282.08954	2.1
283.09616	5.4
284.10458	5.9
285.11392	3.2
285.14728	5.0
287.10645	2.6
287.16422	4.6
289.08466	1.7
291.10141	5.4
291.13730	1.9
292.10928	1.7
293.08163	3.2
293.11716	2.5
295.09637	25.5
297.11172	13.3
297.14792	3.6
303.10037	2.5
304.10910	2.3
305.11743	3.4
306.25705	1.6
307.09592	5.7
308.10483	3.2
309.11072	2.2
309.18674	1.8
315.15970	7.7
319.09509	1.9
320.10510	2.6
320.90091	1.6
321.11270	7.4
322.12122	2.8
323.12854	3.6
323.16248	2.1
333.11240	1.8
335.09235	1.6
335.12790	6.3
336.13516	2.2
337.14120	2.5
339.12268	3.0
350.14981	2.4
351.11908	3.0
351.15939	39.5
353.13730	3.8
353.17398	12.7
353.21176	4.3
361.17987	3.6
363.15778	1.9
365.13821	2.5
368.16245	6.1
370.14053	5.8
371.15323	2.8
379.26428	1.9
383.14777	5.3
383.22021	2.3
389.17422	6.1
391.18884	2.8
391.26373	2.2
393.20572	1.9
403.19016	9.9
407.18427	1.9
409.20142	3.8
409.26712	1.8
421.20071	23.5
421.26071	2.9
421.34750	8.5
439.21228	40.7
439.28677	4.4
439.35413	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	439.2121
Annotation	Erystagallin B
Peak:m/z	Relative Intensity
53.03942	1.5
53.82024	0.7
55.01867	1.1
58.60091	0.7
59.04988	2.6
61.49930	0.7
65.03936	1.0
67.05511	3.9
69.07062	2.4
71.28761	1.2
77.03935	1.1
79.05511	5.2
81.03417	1.2
81.07053	1.2
85.02952	0.8
88.72737	0.7
91.05495	3.7
93.07057	1.4
95.04957	2.3
95.08598	0.8
103.05463	1.6
105.03385	1.4
105.07047	2.0
107.04960	2.5
108.05747	0.9
109.10167	1.7
115.05461	2.7
117.07018	2.9
121.06497	2.0
123.04385	0.9
128.06248	2.5
129.07013	7.3
131.04922	4.0
131.08583	1.1
135.04433	100.0
136.05183	2.4
137.05969	0.9
143.04919	2.2
143.08556	1.7
145.06490	3.6
146.07271	2.5
147.07993	0.9
149.02354	11.6
149.03490	1.2
149.05971	5.5
151.07558	32.8
157.06514	4.8
159.04485	1.0
159.08064	1.6
160.08875	3.4
161.05988	6.1
161.09662	1.0
162.06772	5.1
163.03960	3.9
165.05531	2.9
165.09137	11.0
171.08060	1.1
173.06029	8.0
173.09651	1.2
174.06743	1.5
174.10489	1.9
175.07591	3.3
176.08350	3.0
177.09134	18.9
177.10670	1.3
179.07072	14.3
179.08603	1.5
185.06041	2.5
186.10440	2.0
187.07564	11.5
188.08316	2.9
188.12045	0.9
189.09142	5.9
190.09796	1.0
191.07054	1.8
191.10704	13.4
193.04886	1.1
195.08083	0.9
199.07578	1.3
201.09117	5.1
202.09868	4.9
203.07072	2.5
203.10669	6.6
205.12294	3.1
211.07655	1.0
212.08473	0.9
213.09201	1.1
215.10760	2.9
217.08716	2.1
217.12213	7.3
219.10223	3.2
219.13837	6.3
219.15880	1.2
227.10698	1.8
228.11337	1.0
229.12311	1.5
231.13831	1.0
233.11771	1.1
235.13301	9.8
239.10713	1.7
242.13075	1.0
243.10164	1.1
243.13924	1.4
253.12276	1.1
255.13841	0.9
257.15332	0.8
261.09119	1.0
261.14987	1.7
269.15512	3.0
275.07236	0.9
289.08829	1.1
289.17984	1.1
299.16757	1.6
316.10962	1.4
317.95560	0.8
319.09811	0.9
321.11472	0.9
333.11359	1.1
347.12912	1.4
351.15924	1.3
352.85208	0.7
363.15903	1.0
365.13989	2.9
381.16901	2.6
391.19232	1.9
393.21017	1.0
403.19095	4.1
409.20297	4.2
421.20132	15.6
421.25690	1.4
439.21274	35.9
439.26956	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	439.212
Annotation	(2S)-5,7,4'-Trihydroxy-2'-methoxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone
Peak:m/z	Relative Intensity
53.03947	2.1
55.01865	4.2
55.05499	0.9
56.84323	0.8
65.03952	1.6
67.05498	2.1
69.01501	0.9
69.07065	5.3
69.21927	6.8
69.22350	2.5
73.54791	0.7
79.05503	2.4
81.03435	2.3
81.07041	2.2
83.04983	2.2
86.01526	1.1
91.05483	4.1
94.04190	1.4
95.04969	1.0
95.08586	1.6
101.51442	1.0
103.05461	2.7
103.64090	1.0
105.07018	2.6
107.04959	2.4
108.02084	2.7
109.06545	1.7
109.44466	1.0
110.92258	0.9
111.04390	1.0
115.05460	4.3
117.07004	4.3
121.06525	10.3
121.10157	1.2
122.03660	4.0
123.08095	1.1
124.11680	0.9
128.06227	1.7
129.06995	5.4
131.04945	6.0
131.08565	3.7
135.04436	2.8
135.08055	4.3
137.05992	59.8
141.05470	1.3
141.06979	2.9
143.04964	6.3
143.08595	2.3
144.05745	1.7
145.06497	6.8
145.10141	3.3
147.08051	2.1
149.06013	2.3
151.03923	100.0
151.05025	8.1
151.07538	20.5
155.08549	2.0
157.06490	4.1
157.10141	1.8
158.07275	2.0
159.07994	5.0
159.11687	1.5
160.05220	2.2
161.05966	2.0
161.09709	1.2
163.03952	1.1
163.07553	11.3
163.11130	2.8
165.05475	7.0
165.06847	1.8
167.07076	1.4
167.08521	1.6
169.06499	1.5
171.08035	3.3
172.08824	1.6
173.05998	1.5
173.09674	4.6
174.06754	1.9
175.07541	12.2
176.08087	1.6
177.09126	7.1
181.06635	1.4
183.08095	1.3
185.09610	2.7
187.07520	5.9
187.11215	2.7
188.08237	1.5
189.09174	7.2
191.07062	1.4
191.10661	10.2
191.14276	1.3
194.10844	1.1
195.08031	1.5
195.11693	1.4
197.05991	1.1
197.09555	1.5
199.07533	1.7
199.11354	1.2
201.09099	3.2
202.09903	2.1
203.06978	1.5
203.10683	4.9
205.08563	7.5
205.12263	11.1
209.09673	1.9
211.11246	1.0
215.10675	1.7
217.08620	3.3
217.12230	11.1
219.10263	2.7
219.13823	55.7
223.07635	1.2
225.09032	1.2
231.13829	3.3
233.11713	2.8
237.09035	1.3
243.13834	2.4
249.09195	1.5
252.08005	1.1
253.12399	1.6
255.13806	6.8
265.12320	1.1
267.10092	1.0
269.15396	2.3
271.17130	1.2
272.14136	1.2
275.10608	1.3
277.08594	2.1
283.10028	1.1
285.14944	1.9
287.16486	8.7
291.10126	2.6
293.08130	1.9
293.11481	1.3
295.09674	2.5
297.14880	2.5
301.11716	1.0
303.09927	2.0
305.11746	1.2
308.10400	1.8
309.11368	1.4
315.15967	3.6
333.11057	1.5
335.12759	3.9
350.14740	1.4
351.12167	1.7
351.15909	7.6
353.13770	2.9
353.21054	1.7
361.18039	1.8
365.13699	2.2
370.13898	1.9
371.15701	1.7
377.17215	1.3
379.19119	1.2
383.14832	1.5
389.17459	4.5
391.18961	2.0
393.20596	1.3
403.19012	8.4
416.10947	3.9
421.20221	18.3
421.26752	1.5
436.84814	1.1
439.21143	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2118
Annotation	Erystagallin B
Peak:m/z	Relative Intensity
50.65407	1.0
53.03935	2.2
55.01868	1.9
55.05513	1.4
59.04995	4.3
62.39809	0.9
67.05499	1.6
69.07063	5.4
70.83500	2.0
79.05503	4.9
81.07037	1.4
91.05479	3.4
93.07040	2.6
95.04987	2.1
95.08608	2.2
99.85667	1.0
103.05501	2.2
105.03363	1.9
105.04484	1.5
105.07035	1.3
106.23177	1.2
107.04984	4.8
108.05697	1.1
115.05502	1.9
117.07025	3.1
119.08584	1.2
121.06490	2.2
122.03638	5.3
123.04449	1.2
128.06230	2.1
129.07033	5.1
131.04945	6.1
131.08549	1.5
133.10132	1.8
135.04425	100.0
136.05206	2.7
137.05986	69.6
143.04895	2.4
143.08623	1.5
144.24646	1.4
145.06491	4.7
146.07300	2.4
149.02351	9.0
149.06007	7.4
150.06744	1.6
151.03955	2.4
151.07556	51.0
156.05734	1.2
157.06494	3.8
158.07310	2.9
159.04485	1.1
159.08081	2.9
160.08846	3.9
161.05971	8.4
162.06819	4.7
163.03859	5.1
163.07516	1.3
165.05496	16.0
165.09146	10.6
171.08005	1.7
172.08882	2.9
173.06001	9.6
174.06776	3.0
175.07582	3.6
177.09108	15.4
179.07024	13.0
183.08049	1.4
184.82043	1.0
185.05957	2.4
186.10506	1.7
187.07567	10.9
188.08350	3.0
189.09132	11.1
189.16505	1.1
191.06964	1.7
191.10698	12.6
201.09064	6.0
202.09895	3.4
203.07047	2.3
203.10660	7.9
205.08585	2.5
205.12257	1.8
215.10669	1.9
217.08656	2.5
217.12213	6.7
219.10219	6.6
219.13780	6.3
231.10213	1.2
235.13274	7.0
239.10670	1.8
243.10075	1.1
243.13884	1.9
245.15408	1.5
255.13712	1.4
257.15488	1.4
261.14899	1.5
262.15228	1.1
269.15421	1.6
289.08597	1.4
295.09552	1.2
299.16354	1.2
332.99783	1.1
335.12415	1.4
341.13898	7.9
347.12823	1.9
351.16174	1.2
363.15460	1.1
365.13791	2.7
369.13467	1.3
371.14999	5.2
381.16843	1.2
388.69357	1.1
391.18765	1.9
393.20770	1.5
403.19229	2.8
409.20160	9.5
421.20172	14.1
439.21204	55.9
440.21378	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01865	1.1
56.05034	1.1
57.03437	0.7
58.06593	1.7
59.05017	4.3
61.01143	0.6
61.02925	0.7
67.05488	0.5
69.03438	5.1
70.06593	2.4
71.04986	1.2
71.51786	0.7
72.08150	0.7
73.02914	0.6
79.05489	0.7
81.03438	3.2
81.07060	1.4
82.06540	0.7
83.05010	0.6
84.04510	0.7
84.08160	16.2
85.02920	9.7
86.09682	0.7
87.04484	4.0
88.03990	0.6
90.11388	0.5
95.08649	0.5
97.02913	5.9
99.04469	1.5
104.05324	1.5
105.05524	1.3
105.07060	1.0
109.02909	2.7
110.07138	1.2
115.05483	2.3
115.98857	0.5
116.96957	0.5
117.05743	1.2
119.04930	0.7
120.08128	1.0
123.04451	2.3
127.03949	8.1
128.07115	1.1
129.10251	2.0
130.06511	0.8
132.08109	4.5
133.06480	0.9
134.06064	1.3
137.05946	0.7
139.03922	2.4
142.06596	0.6
143.07335	1.2
144.08070	1.3
145.02931	0.8
145.04961	2.7
146.06110	3.2
147.04401	0.9
148.07597	27.3
151.03923	1.1
154.05026	0.7
157.97771	0.6
159.06781	1.2
160.07605	100.0
161.05959	0.6
163.03928	3.2
172.07581	2.2
174.05873	0.8
174.09166	2.5
184.07593	4.0
185.05957	0.7
187.07561	0.6
190.08653	5.8
191.11818	8.9
193.05043	0.6
200.07025	1.1
201.05487	1.0
202.08646	11.3
205.05000	0.8
207.02908	0.7
214.08696	1.5
217.05045	0.8
219.06546	0.6
226.08714	1.0
229.04987	0.7
231.08679	2.5
247.06090	1.7
253.05116	0.6
256.09848	0.9
259.06100	1.5
268.09769	1.0
271.05969	0.8
287.05551	1.2
289.07120	1.9
299.05554	1.0
301.07104	0.7
307.08258	1.6
313.07172	2.3
343.08206	1.5
360.14462	1.0
361.09048	1.5
372.14447	1.2
373.09235	1.5
378.15591	1.6
379.06903	0.7
385.09149	1.9
390.15677	1.6
391.10291	0.8
396.16464	1.1
403.10382	1.4
408.16541	1.2
421.11163	0.6
439.20850	70.5
440.15561	1.8
440.22565	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
56.55407	0.4
57.03437	0.5
58.06586	0.7
61.02925	0.9
68.38102	0.4
68.99801	0.5
69.03096	0.4
69.03439	5.2
70.06579	1.3
71.04970	0.5
71.43322	0.4
73.02916	0.8
81.03421	3.2
84.08154	0.8
85.02434	0.6
85.02911	7.1
85.44273	0.4
87.00859	1.9
91.05470	0.4
97.02934	1.9
98.97575	0.3
99.04446	1.5
100.91735	0.4
103.03969	0.6
105.01877	1.3
105.07011	0.6
109.02893	3.1
110.07173	0.6
115.05467	2.5
116.07051	0.4
117.05745	1.6
117.07053	0.5
118.08662	0.5
120.08147	1.8
123.04408	0.4
127.03934	4.4
129.01863	0.5
130.06528	0.7
131.04942	0.5
131.07307	1.0
132.08110	4.4
133.05232	1.2
133.06502	1.0
134.06050	0.5
136.07591	0.5
139.03809	0.4
142.06581	0.8
143.07295	2.0
144.08070	0.5
145.04987	1.0
146.06030	2.7
147.06770	0.4
148.07585	33.0
149.07921	0.6
151.03952	0.4
158.06055	0.6
159.03004	0.9
159.06795	0.5
160.07591	100.0
160.53201	0.4
161.07918	1.1
163.03821	0.9
172.07590	2.2
174.09235	0.5
184.07579	1.6
187.06004	0.4
190.08636	3.8
191.11809	16.2
198.34850	0.4
201.05441	0.5
202.08649	7.5
213.12425	0.6
214.08603	1.0
216.06522	0.5
218.62001	0.4
231.05048	0.4
244.09689	0.5
247.05936	0.5
259.08160	0.5
268.40414	0.4
277.12555	0.4
277.17636	0.7
278.10297	0.6
313.06927	0.5
322.12820	0.5
352.13901	0.6
353.16962	2.6
364.13910	4.3
378.12262	0.4
395.18216	5.2
396.13000	1.1
398.85141	0.4
408.12802	2.3
439.17154	37.0
440.17566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06837	0.7
57.07081	5.8
57.46119	0.8
58.06588	2.6
65.03924	1.5
65.41972	0.8
67.05494	1.3
70.06215	0.8
70.06595	15.3
71.08621	1.2
71.52944	1.0
72.08157	1.6
85.10169	1.0
88.07639	18.2
91.05486	1.2
97.06525	0.8
102.09190	13.4
126.50128	0.9
149.02359	49.6
149.03403	2.1
167.07063	2.8
193.04984	45.4
228.23247	46.8
237.07597	56.4
272.25867	1.6
335.58743	0.9
438.28564	100.0
439.28622	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	439.158
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
52.46370	0.5
55.05523	0.9
56.99849	0.5
60.04516	0.5
67.05520	0.6
69.03423	1.2
69.07062	0.7
70.06605	7.9
72.08162	4.6
81.03442	0.8
81.07053	0.9
83.01108	0.9
83.04991	1.1
84.04503	0.8
84.08159	6.3
85.02914	2.0
86.09708	3.1
88.03996	0.6
95.01057	1.4
95.04951	0.8
96.01920	0.5
97.02872	0.6
98.75295	0.5
105.49079	0.5
109.02893	0.6
109.10194	0.5
110.07185	2.5
111.04494	0.6
112.01340	0.8
113.02139	2.5
116.07107	0.6
119.04961	0.6
120.08135	1.3
121.02876	1.0
121.06461	1.1
123.04449	1.6
127.03922	0.7
128.07094	0.6
129.10272	3.8
130.06474	0.7
131.04929	1.2
136.07585	0.8
139.03838	0.5
147.04454	0.5
154.05014	1.7
155.05374	1.1
155.07114	0.6
155.14256	0.5
157.04854	1.1
157.09753	0.5
163.03908	1.2
163.07594	0.7
167.03111	0.6
185.04214	2.6
191.62349	0.5
201.03757	1.1
202.06038	3.4
206.04167	0.6
224.05286	0.6
250.07008	0.9
251.15053	0.5
258.14822	0.5
259.07889	0.8
260.09296	0.5
270.07651	1.3
276.20831	0.6
277.10678	0.7
295.06110	0.8
307.06052	0.9
316.14993	0.6
322.08157	0.5
325.07227	2.2
332.07343	1.0
343.52576	0.5
365.10355	0.8
395.13004	0.7
421.09210	1.2
422.12772	0.5
439.10892	3.6
439.15817	100.0
440.16397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01351	0.3
51.85794	0.3
53.03933	0.4
57.03432	0.3
69.03436	1.1
70.06596	1.9
70.50708	0.9
70.83699	0.3
71.04993	0.3
77.16416	0.3
81.03426	0.6
82.06587	4.4
83.04996	0.4
84.08153	100.0
85.02916	4.7
85.08502	0.4
86.09734	0.3
91.05486	0.4
97.02916	1.0
99.04470	0.5
99.67250	0.3
100.07616	2.2
109.02900	0.5
111.04456	0.8
112.32413	0.3
119.04964	0.7
120.67829	0.3
127.03926	0.4
128.07091	9.6
130.08655	19.6
131.04961	0.3
147.04408	2.3
154.04999	0.5
171.04420	0.4
189.05566	0.3
210.11322	0.6
228.12254	1.4
238.10782	2.7
256.11841	9.6
274.12872	13.9
307.05594	0.2
308.29352	0.3
336.55444	0.3
417.30154	0.3
438.17642	45.1
439.17889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59116	2.2
53.03946	8.5
55.01878	12.8
55.05508	11.6
57.03435	9.2
57.07075	11.7
58.06598	4.9
61.02933	8.5
62.03230	2.4
63.71819	2.5
66.81383	2.2
67.05518	16.0
68.99813	3.5
69.03081	3.8
69.03436	40.8
69.07076	13.3
70.06590	4.2
71.05000	6.0
71.08637	4.1
71.53056	4.4
73.02911	6.1
79.05499	13.8
81.03424	31.7
81.07064	71.4
83.04966	5.4
83.08647	13.9
85.02913	100.0
85.06165	2.6
85.06568	30.7
86.09707	3.0
87.00835	46.5
91.05482	12.6
93.07040	18.9
95.04272	2.7
95.04958	5.8
95.08615	53.1
97.02905	51.6
97.06536	6.1
97.10175	4.0
99.04456	16.6
99.08102	4.6
99.12218	2.6
103.03940	3.5
103.85270	2.8
105.01877	45.9
105.07038	11.8
107.08605	16.8
109.02888	25.2
109.06557	4.5
109.10185	15.8
111.04460	5.8
111.08118	5.3
111.11724	4.0
115.03954	5.1
117.01911	3.7
119.08604	8.3
121.02863	5.6
121.06559	3.9
121.10143	17.5
122.10477	5.2
123.08105	3.6
123.11766	3.7
127.03927	64.1
129.01823	3.2
131.08592	8.3
133.10152	3.4
135.11719	6.4
137.06056	4.4
137.13269	82.1
139.03911	12.8
140.04239	7.3
142.07710	3.3
143.08614	3.3
145.04976	27.4
145.10115	6.1
147.02884	2.8
147.11720	6.9
149.09612	5.1
149.13255	9.4
149.74593	3.0
150.10072	2.6
151.07596	3.7
153.12785	6.6
154.13058	3.0
155.14328	13.8
159.02835	12.5
159.11642	4.0
161.04614	3.0
161.09531	3.3
161.13281	6.0
163.03896	6.2
163.11093	3.1
164.04240	3.5
165.09123	3.1
165.12909	5.2
167.14355	13.1
177.05452	3.2
177.12784	7.6
179.14383	4.7
189.03981	3.7
221.15434	4.3
227.14311	4.2
229.05168	2.6
231.05072	6.6
239.16669	4.4
245.15375	14.6
249.06018	2.9
257.09091	4.4
258.09433	4.5
263.16489	10.4
276.15875	2.9
281.17511	3.3
300.10556	4.6
315.10974	5.9
342.11407	3.6
349.16452	16.5
365.66086	2.7
367.17416	11.7
385.18439	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	438.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01868	1.3
55.05507	1.9
57.03442	2.9
59.05002	1.8
61.02920	4.3
67.05503	3.2
69.03443	12.8
69.07087	1.1
69.38164	6.2
70.06593	2.2
71.04980	1.1
72.08155	4.5
73.02936	1.5
79.05515	1.1
81.03424	5.8
81.07072	3.4
84.08144	4.6
85.02917	22.4
87.04462	3.5
91.03953	1.5
91.05527	2.0
93.07018	2.7
95.08584	1.6
97.02908	8.5
97.06509	1.2
99.04475	2.1
104.07150	1.6
109.02905	3.2
109.10187	1.7
110.01468	1.0
127.03899	5.1
130.08681	1.3
134.06046	5.3
144.08144	2.1
145.04977	1.5
146.06026	2.2
155.14366	2.6
160.07616	2.4
162.05551	1.4
165.96687	1.1
172.07576	4.5
174.08936	1.1
186.28166	1.1
188.07085	42.6
196.11328	2.2
200.07072	14.8
200.10757	4.2
212.10730	4.8
214.12279	3.4
216.06523	2.5
216.10220	7.1
216.13710	1.1
218.15213	1.1
222.09030	1.1
224.10728	4.7
227.09517	3.2
230.11734	10.6
240.10233	6.3
242.11790	100.0
258.11292	89.5
260.12900	19.9
320.13190	1.9
348.12744	1.7
364.12335	6.1
393.70496	1.2
420.16565	81.7
421.17029	1.7
438.15836	10.4
438.36899	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96679	1.6
55.01860	4.2
56.05038	9.1
57.03436	2.5
58.99594	13.9
61.01139	3.3
68.05024	5.8
69.03410	1.8
70.02937	4.7
70.48736	5.8
71.04961	3.0
72.04500	7.4
73.04032	1.5
74.00676	10.4
76.02241	21.5
76.03993	6.5
80.05008	5.4
81.05815	2.4
82.05399	1.8
82.06560	2.0
83.06087	5.2
84.04511	92.5
84.08146	4.7
85.01135	30.8
85.02903	4.5
85.04004	3.2
85.06509	1.7
85.10303	1.5
86.00658	31.3
86.98548	3.5
86.99059	68.2
88.02209	2.8
89.00610	4.9
92.01718	2.7
95.04952	3.5
96.04469	2.9
97.01086	8.5
97.06543	14.3
98.00649	3.6
98.06097	2.6
99.02619	1.7
100.02202	4.2
102.03785	18.8
102.05555	15.7
107.06920	1.6
108.04484	3.3
109.05251	1.7
109.07637	4.2
112.02189	33.6
112.03933	2.5
113.06010	1.8
114.03764	15.4
114.05540	3.7
116.01691	19.8
124.02165	2.7
126.03697	1.9
127.02121	8.3
129.06604	8.3
130.03253	16.8
130.04999	31.7
131.04471	3.4
132.01115	3.2
135.80922	1.8
137.08376	3.8
140.01772	3.1
142.03242	21.2
143.02747	38.5
144.01117	6.9
145.06090	6.9
153.06580	3.3
155.08139	6.6
156.06483	2.5
158.02708	7.6
160.00694	2.1
162.02237	10.3
168.04849	2.9
168.06470	2.2
169.04317	13.9
170.02687	3.0
170.06375	8.5
171.02237	4.5
171.07454	1.9
177.03302	8.8
179.04868	9.5
181.06093	4.3
185.03801	2.3
188.03766	3.3
188.07387	5.3
189.03300	100.0
189.24106	1.8
196.04277	10.1
199.07167	4.0
205.06398	9.0
206.08549	2.6
215.04872	50.8
217.06482	8.5
224.03816	5.3
227.08376	1.9
231.04399	2.1
233.05934	17.2
241.06329	1.9
243.04346	2.2
257.09744	2.3
259.07532	2.6
268.03876	1.8
269.05917	3.8
274.12866	1.8
287.06964	20.2
291.06601	2.3
291.10074	33.4
299.06961	2.5
309.11081	3.5
345.11374	3.6
362.10159	6.9
363.11856	2.6
385.56656	1.8
420.14392	2.7
438.15436	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	438.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02915	1.6
51.06539	1.9
52.51317	1.5
55.01855	4.7
55.79472	1.7
56.05041	9.8
57.03418	3.3
57.98791	1.9
58.99588	15.9
60.07386	1.8
61.01144	3.4
62.89317	1.9
66.01186	1.7
68.05019	6.1
69.03415	1.8
69.07061	2.4
70.02946	7.4
70.06573	3.7
70.68724	4.2
71.04977	2.7
72.04501	7.0
74.00667	12.3
74.02424	2.5
76.02232	22.7
76.04012	8.4
79.05490	2.9
80.05006	7.0
81.05795	2.9
83.06081	6.4
84.04510	99.3
84.08144	7.3
85.01128	35.8
85.02911	3.1
85.04022	4.7
86.00661	36.5
86.99058	67.2
87.01434	2.1
87.02701	3.6
88.02202	4.1
89.00598	3.0
92.01640	1.8
95.04948	4.6
96.04484	3.1
97.01115	6.5
97.06534	26.7
98.00640	2.6
98.06047	2.3
99.02681	3.8
99.05625	2.3
100.02197	3.0
102.03777	19.5
102.05556	13.2
108.04449	3.2
108.08117	2.2
109.07617	3.4
112.02203	30.0
112.03974	3.6
112.07621	1.8
113.00606	2.2
113.06002	2.9
114.00153	2.7
114.03748	17.9
114.05538	5.4
116.01685	23.3
116.05346	2.4
116.57117	1.7
126.03728	3.7
126.05450	2.4
127.02119	10.2
128.05284	2.5
128.07129	2.3
129.06580	6.2
130.03271	14.3
130.05003	35.3
131.04550	2.7
132.01161	3.8
135.32324	1.8
136.72009	1.6
137.08363	6.2
140.01653	3.0
142.03226	23.1
143.02748	38.6
144.01187	8.2
145.06088	4.6
153.06590	5.3
154.06888	3.7
155.08141	7.8
156.06532	5.0
158.02733	5.4
160.00638	2.4
162.02235	15.4
168.04784	5.6
168.06517	2.0
169.04356	8.8
170.02681	3.2
170.06367	14.6
171.02275	5.1
172.07999	2.2
173.09270	3.4
177.03348	12.8
178.01799	2.1
179.04878	11.7
181.06152	3.5
185.03810	2.4
187.05472	2.2
188.03799	2.9
188.07422	4.4
189.03294	100.0
196.04327	8.2
199.07129	2.8
202.04123	2.1
205.06412	8.7
206.08487	3.8
215.04852	48.1
217.06409	19.7
224.03760	6.0
227.04750	2.6
231.04474	2.3
233.05902	20.7
241.06378	2.6
245.05751	2.4
257.09592	7.4
273.09195	2.7
273.25589	2.1
287.07001	18.3
291.10101	62.4
307.08377	2.3
309.11322	2.9
317.11694	2.0
328.92554	1.7
345.07407	2.3
345.11157	5.7
362.10135	8.5
363.12015	1.9
420.14594	4.4
438.15268	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	437.1962
Annotation	2'-O-Methylcajanone
Peak:m/z	Relative Intensity
51.02370	1.0
53.03941	1.4
55.01876	5.4
63.02391	0.8
65.03941	3.1
68.99802	1.3
69.07074	5.3
70.71461	2.5
79.05499	3.4
79.06098	1.0
81.03403	2.9
83.04993	1.3
91.05486	3.9
93.07034	1.2
95.01320	1.6
100.23951	0.8
101.83734	0.8
103.05476	2.8
105.03415	1.2
105.07031	3.5
107.04974	2.5
107.08599	1.1
112.47762	1.0
115.05445	5.2
117.07011	5.9
119.04947	1.3
119.08556	1.1
121.02848	1.2
121.06512	6.1
123.04467	0.8
128.06200	2.9
129.07039	6.3
131.04994	4.5
131.08571	6.1
131.87309	0.9
133.02861	1.1
133.10101	0.9
134.03625	1.8
135.04425	79.0
135.08040	5.3
137.06023	1.5
141.06963	4.2
142.07817	1.3
143.04958	6.1
143.08636	2.3
144.05701	1.6
145.06496	8.1
145.10150	3.8
147.04463	1.5
147.08087	1.1
148.08850	2.0
149.02356	100.0
149.06017	2.7
151.03990	1.4
151.07567	18.1
151.08731	0.7
153.07024	1.0
155.08589	2.0
157.06528	6.3
157.10138	2.4
158.07240	1.4
159.04410	1.9
159.08067	12.4
161.06047	4.6
161.09688	1.6
163.03893	4.1
163.07545	10.1
163.11186	10.4
165.05521	1.0
171.08076	3.8
172.08751	1.5
173.05986	12.6
173.09612	4.4
174.06763	1.5
175.07559	6.4
176.08318	2.8
177.09114	1.9
183.08070	1.5
183.11746	1.1
185.06058	4.7
185.09584	4.3
186.06892	1.3
187.07556	7.7
187.11246	1.7
189.05420	0.9
189.09111	7.1
191.10693	43.1
193.04977	0.9
194.03085	0.9
195.07983	1.2
197.06062	1.5
197.09651	1.1
199.07663	1.5
199.11215	1.8
201.05489	2.0
201.09138	2.9
202.09802	1.6
203.07048	12.2
203.08786	1.4
203.10689	3.7
204.11493	1.1
205.12242	9.0
209.09637	1.1
213.09131	1.3
215.07047	2.6
215.10626	1.7
217.12227	19.4
219.13817	50.0
223.11201	1.0
227.14317	1.8
229.08734	1.3
231.10118	1.2
231.13885	2.5
233.07962	1.6
233.11780	2.5
233.14233	0.9
234.45540	1.0
241.12143	1.3
243.13799	4.6
245.15485	1.1
247.13361	1.9
255.13896	4.6
259.16934	1.1
271.16840	1.8
272.14148	2.3
273.09177	1.6
285.09177	1.5
287.16443	15.0
315.15839	1.4
318.08994	1.2
329.15335	1.1
333.11215	4.6
349.14404	2.3
351.12451	7.1
359.16476	2.5
363.12128	1.8
381.13257	2.1
386.14941	1.8
387.15945	2.6
389.17273	1.6
391.19040	2.1
401.17538	5.4
407.18390	3.3
419.18585	16.8
437.19629	36.7
438.20065	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1447
Annotation	1-(3-beta-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
52.59142	0.5
53.03946	1.1
55.01863	1.4
55.05499	0.7
57.03441	0.5
58.06597	0.7
62.08057	0.4
67.01887	0.6
68.75425	0.5
69.03432	1.0
70.06602	0.8
70.83455	0.9
72.08145	0.6
73.02923	0.9
77.03944	0.5
79.05503	1.8
81.03416	1.2
84.08148	1.7
85.02908	3.3
87.00853	0.7
90.93931	0.5
91.05482	0.8
93.07043	2.0
94.07397	0.8
95.04950	0.9
95.08611	1.0
97.02893	1.2
99.04462	0.6
103.02876	0.5
105.01840	0.8
105.04558	0.5
105.07027	0.6
107.04961	100.0
107.08594	1.3
108.05283	0.6
108.08944	1.3
109.02891	1.4
119.04935	0.5
119.08512	0.5
121.02924	0.6
123.04456	1.3
127.03937	1.6
131.04939	0.9
133.10156	0.5
135.11728	1.3
136.06033	0.4
136.12019	1.2
139.03912	1.9
147.04410	0.7
149.05991	1.3
151.03873	3.9
153.01892	0.6
163.03931	1.8
165.05452	1.2
169.04977	0.7
173.05923	0.8
175.03976	0.7
181.04993	4.5
189.05550	1.0
191.03436	0.7
193.04970	7.2
205.04987	2.1
207.03008	0.5
207.06558	1.5
211.06012	4.8
217.04990	0.5
222.34148	0.5
229.04955	1.6
235.06015	7.4
241.04897	0.6
247.06036	4.3
259.06125	2.3
275.09125	2.8
277.07111	1.7
287.09152	4.8
299.09290	4.0
303.05051	1.9
303.64542	0.5
304.05362	1.4
305.05554	5.5
317.10242	8.8
335.09073	1.1
341.10251	10.5
353.10211	8.5
365.10391	3.4
371.11282	0.6
383.11264	2.4
401.12354	2.1
419.13382	0.9
437.12509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85873	0.5
55.05494	0.8
55.39308	0.5
57.07084	5.5
58.06584	2.1
60.44685	0.5
70.06595	13.0
71.08638	2.2
71.53419	0.6
72.08154	1.1
72.14258	0.5
81.07044	0.6
83.04981	0.5
85.10187	1.3
88.07636	16.2
93.07080	0.7
102.09193	12.9
103.01820	2.0
105.07053	0.7
107.08587	1.3
109.10122	0.6
118.21120	0.5
120.02076	0.5
135.04388	3.7
135.11646	0.7
145.10184	0.6
147.04445	0.5
153.05408	1.0
163.03911	60.1
163.05042	3.7
175.03995	0.7
193.08640	0.5
201.81555	0.5
207.06544	74.5
208.06853	0.9
239.09108	0.5
256.26367	43.8
257.26703	0.5
436.30618	100.0
437.30966	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58134	0.9
56.96569	13.3
57.03424	1.5
61.02918	1.4
69.03426	6.0
69.69257	2.1
69.69673	3.3
69.79342	1.0
70.06596	2.5
73.02905	2.1
81.03424	1.9
84.04512	1.3
84.08143	2.4
84.96038	1.8
85.02906	11.5
89.03928	1.3
91.05473	2.2
97.02902	3.1
98.21426	1.4
98.97591	100.0
99.04469	1.5
100.83230	1.0
110.97591	6.9
111.05576	1.5
112.99119	1.2
116.07127	2.8
116.98631	30.3
117.03398	1.2
119.04946	2.4
123.05597	1.1
124.99130	2.4
127.03943	3.3
128.98608	5.1
130.08652	2.5
131.00153	1.0
134.99681	4.3
135.04440	3.1
137.06010	2.2
141.06619	1.6
143.00238	4.5
143.01912	3.9
145.02873	1.8
145.05019	1.6
146.99666	1.8
147.04428	10.1
148.23921	1.2
149.06029	1.4
151.03914	1.1
158.99661	65.9
161.01335	2.6
161.02974	4.3
163.03926	12.6
167.07027	1.3
170.99712	4.1
177.00732	39.1
186.04411	1.9
189.00790	2.5
195.01802	1.9
201.00769	2.2
201.04366	1.1
203.02310	2.0
203.04074	1.6
208.04967	1.4
208.99617	1.9
217.79849	0.9
219.01770	24.1
221.03049	2.2
231.01871	1.9
237.02852	6.9
239.02223	2.0
243.05429	1.8
257.03717	1.7
257.14966	2.3
261.02875	1.9
266.05750	1.9
280.07150	1.7
287.09891	1.4
288.95456	1.0
289.07523	2.2
289.57745	1.4
290.44931	1.0
293.22134	1.3
298.08185	1.5
298.58060	1.1
303.07513	24.3
303.10818	1.4
321.08557	20.3
377.07294	3.1
401.07587	2.6
413.07489	1.3
419.08560	7.6
437.00940	1.4
437.09772	32.9
437.15698	2.0
437.21783	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88363	1.8
53.03925	7.4
53.82212	1.6
55.05501	7.6
57.03402	2.5
57.07079	2.2
59.04985	2.6
67.05512	11.4
69.03439	12.5
69.06780	1.9
69.07076	20.1
69.42234	15.5
70.06591	4.4
71.05006	9.7
72.08153	3.8
77.03896	1.9
78.23104	2.0
79.05497	17.0
81.03420	22.7
81.07063	38.8
83.04960	4.3
83.08612	4.6
84.08141	3.3
85.02910	18.9
85.06540	6.7
87.00815	5.8
91.05472	12.3
93.07056	40.3
94.49823	2.2
95.04965	7.0
95.08625	35.7
96.08971	2.5
97.02913	21.0
97.06543	10.8
98.21442	4.4
99.04424	4.2
105.01913	11.2
105.03404	100.0
105.07044	14.9
107.08606	37.3
109.02910	11.4
109.10165	25.5
109.46731	1.9
109.56336	2.0
116.07093	4.5
119.08603	22.6
121.10183	5.4
123.04443	14.7
123.11729	10.9
127.03937	21.2
127.11193	8.3
133.10156	14.1
135.11713	48.8
137.05977	4.3
137.13280	4.1
143.10661	8.6
145.04980	9.7
145.10208	2.9
147.04407	3.4
147.11684	9.3
153.12755	9.5
161.13287	6.5
163.03961	4.4
175.14856	3.2
191.03366	13.9
203.17990	30.3
221.19058	30.6
231.05069	3.0
249.07660	38.4
265.94589	2.3
267.08633	19.0
284.06522	3.3
285.06882	3.3
286.06900	4.3
314.07324	2.5
316.07843	3.1
343.08359	4.7
350.12976	3.0
370.08929	3.6
392.14017	28.6
418.10538	2.8
436.12949	84.6
436.17685	3.0
437.12775	3.3
451.05109	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	436.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40359	3.0
68.12830	2.8
71.53255	3.9
71.53609	3.2
72.08144	3.3
74.09716	2.9
79.05510	5.3
79.29192	2.9
90.41219	2.9
91.05492	3.6
93.07043	9.8
96.74899	3.3
105.07029	10.5
107.08586	4.2
112.30148	3.5
115.05465	3.6
117.06947	2.8
119.08548	3.7
121.10133	11.7
133.06467	11.8
147.04393	11.2
149.28389	2.9
159.22787	3.0
161.06013	27.9
167.07158	5.1
177.31966	2.9
181.08591	34.3
182.78360	3.1
183.80687	2.7
191.07027	12.0
193.08630	21.9
196.67149	3.0
210.08870	4.8
210.18565	3.2
211.09688	4.6
403.53687	2.9
418.86887	3.8
436.38950	6.6
437.19400	100.0
449.74728	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	436.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.9
53.03952	5.8
55.01878	4.3
55.05517	5.2
57.03438	2.7
57.07085	5.8
58.29578	0.6
59.05026	0.7
61.02937	2.5
65.03951	1.2
67.05514	11.1
68.99794	1.5
69.03439	12.0
69.07082	9.2
71.01333	0.8
71.04993	2.8
71.53298	1.0
72.24350	0.7
73.02939	4.8
75.17864	0.6
75.45634	0.6
79.05499	8.4
81.03426	14.8
81.07065	56.6
83.04993	1.3
85.02915	34.8
87.00838	15.6
91.03968	1.3
91.05491	18.5
93.07053	100.0
95.04981	2.4
95.08617	31.1
97.02904	18.0
97.06547	1.5
98.97599	1.3
99.04458	5.6
101.02395	0.6
103.03909	0.8
105.01882	13.6
105.04555	1.5
105.07039	6.8
107.08607	58.6
109.02895	12.0
109.06521	1.4
109.10166	13.6
115.03954	1.6
115.07561	1.2
117.01868	2.2
119.06083	1.1
119.08562	4.3
120.09392	1.3
121.10126	1.1
127.03934	23.4
129.01836	1.9
129.05452	1.0
133.10158	1.3
135.11708	96.6
137.13268	38.1
145.04980	10.7
147.02917	1.1
147.11673	0.9
148.41138	0.7
153.12749	6.1
159.01692	1.1
159.02902	8.4
161.04488	1.3
165.12759	1.4
167.06953	1.0
219.04939	0.8
231.04997	4.4
231.93564	0.7
249.06168	1.0
249.08687	0.6
297.08517	0.7
418.16113	1.1
418.21698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.01868	2.9
55.05494	1.2
56.02214	0.8
57.03451	4.2
57.03667	0.8
58.03767	1.0
59.04998	0.8
61.02913	2.4
67.05499	1.0
68.99787	1.3
69.03440	7.2
69.07073	1.4
70.06577	1.1
70.83600	1.9
71.01334	0.9
72.08157	1.2
73.02929	5.7
79.05507	3.7
81.03418	4.2
81.07053	2.8
83.05002	1.1
85.02914	15.4
86.09704	1.1
87.00856	6.5
87.82599	0.7
88.10729	0.9
91.05485	5.8
93.07047	20.2
95.04954	1.4
95.08616	5.1
97.02907	9.5
97.06538	1.9
99.04466	2.4
105.01881	11.5
105.04539	0.8
105.07026	2.5
107.04968	9.3
107.08600	24.8
109.02897	5.0
109.10141	0.9
115.03928	2.0
119.08534	1.4
121.10113	1.1
127.03931	12.2
133.04958	2.1
134.46248	0.7
135.11696	18.3
137.02342	2.7
138.02733	1.7
145.04958	6.1
151.03946	0.9
153.01857	3.7
153.12752	2.1
154.02159	1.5
159.02946	2.1
159.11752	0.8
165.01880	1.5
166.02235	1.5
175.79440	0.8
195.02940	0.7
201.05580	1.3
202.05858	1.9
205.25578	1.0
225.14856	1.7
229.05000	1.5
230.05272	2.1
231.05064	2.6
247.05963	0.8
249.06105	2.2
257.04544	0.8
258.04816	1.6
275.05154	0.8
284.06265	2.4
285.03888	0.9
285.06650	1.6
286.04254	0.9
286.07016	1.4
292.07507	0.8
299.09137	0.8
303.05038	35.9
304.05362	100.0
305.05545	2.2
312.08771	1.0
314.07184	1.4
316.07886	2.1
317.10248	0.9
341.10120	1.1
347.02078	1.0
382.09192	1.1
400.10236	0.9
436.12234	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41346	2.3
53.03954	7.4
53.48632	2.5
55.01884	3.5
55.05526	12.5
56.94497	2.2
57.03451	4.4
57.07059	3.0
59.05005	10.3
67.05505	19.7
68.99799	2.5
69.03432	18.7
69.07073	53.6
70.83659	5.3
71.05003	5.9
73.29075	2.5
79.05496	11.7
81.03430	12.7
81.07066	25.5
83.04985	8.3
83.08605	6.2
85.02915	51.0
85.06553	16.3
87.00835	21.3
91.05493	24.1
93.07048	100.0
95.08614	59.8
95.09177	4.7
97.02895	30.4
97.06543	19.5
99.04476	6.1
105.01877	50.3
105.07051	11.5
107.08604	81.0
107.36828	2.4
109.02895	16.8
109.10164	41.7
119.08580	5.7
123.11703	9.3
125.13269	2.6
127.03936	39.3
127.99173	2.3
129.01811	2.8
135.11705	93.2
136.31169	3.0
145.04974	30.0
153.12761	37.8
159.02968	9.3
166.14063	2.2
187.42610	2.9
208.53104	2.6
231.05005	15.2
236.12479	2.6
249.06131	7.9
295.38879	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	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88710	2.2
53.03935	9.2
54.91896	2.3
55.01870	8.5
55.05504	4.2
56.94971	1.9
57.03436	5.3
58.09208	2.3
61.02913	3.8
67.05507	4.1
69.03438	22.8
69.07069	3.9
70.77312	4.7
70.77655	2.7
72.75021	2.0
73.02919	5.7
79.05497	16.4
81.03421	20.7
81.07054	8.5
83.04971	2.3
85.02440	3.5
85.02916	53.1
87.00832	22.6
91.03923	2.6
91.05490	20.4
93.07051	78.0
95.04955	4.3
95.08619	7.5
97.02904	30.8
99.04472	10.4
105.01881	24.9
105.04503	3.2
105.07058	11.0
107.08601	100.0
109.02883	16.4
109.10242	2.3
115.03885	2.2
117.01791	3.8
119.06097	3.2
119.08613	2.7
121.10159	2.1
124.03984	5.9
127.03941	44.3
129.01819	3.0
133.10182	2.6
135.11705	89.6
137.13205	4.8
145.04970	22.2
153.12798	9.0
159.02908	14.1
165.12805	2.5
179.95546	2.1
231.05011	7.7
243.13904	2.7
261.14835	6.7
268.08221	4.1
268.98584	2.0
365.16525	2.5
404.39069	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
54.28188	0.8
55.01874	2.2
55.05519	5.6
57.03442	11.1
57.07081	1.1
58.39840	0.8
58.49937	0.8
61.02934	5.5
65.03947	0.8
67.05505	2.1
68.99795	2.2
69.03088	1.1
69.03434	10.4
69.07059	1.5
69.91286	1.6
69.91648	3.4
70.06597	1.9
71.04991	2.7
72.08155	1.7
73.02922	21.2
74.03249	1.8
79.05487	5.1
81.03427	8.5
81.07066	26.2
83.08624	16.0
84.08193	0.9
85.02910	38.9
85.06540	2.6
87.00835	15.5
91.05493	5.9
93.07048	23.1
95.04955	1.5
95.08607	9.5
97.02898	22.5
99.04465	5.4
105.01877	32.8
105.02582	1.7
105.04533	0.8
105.07053	2.2
107.08603	20.5
109.02888	10.4
111.00838	1.3
111.09467	0.8
115.03931	3.2
117.01857	1.2
119.08613	1.4
121.02885	2.6
122.03228	1.3
127.03930	26.6
128.07033	1.0
129.01826	0.9
135.11694	17.8
137.02341	2.6
137.13269	10.9
138.02725	2.1
145.04968	17.7
145.10146	1.5
147.02913	1.1
149.02386	1.1
153.01842	3.4
153.12766	2.3
154.02205	0.9
159.02904	5.1
161.04530	1.2
165.01874	2.8
168.31192	0.9
173.04523	1.6
189.04051	1.1
201.05553	1.0
202.05826	1.3
229.04977	2.0
230.05339	3.7
231.05029	13.2
243.13794	1.1
249.06099	8.5
257.04422	1.5
258.04883	2.6
271.05884	1.0
272.06421	2.0
273.06784	1.6
274.06909	1.9
283.06104	1.9
284.06366	5.6
284.09265	1.3
285.06570	4.2
286.04340	1.0
286.07031	6.8
287.07642	1.4
293.10083	0.9
296.06165	1.1
298.07053	1.2
303.05011	36.0
304.05350	100.0
305.05609	1.8
312.08499	1.7
314.07416	4.4
315.07639	2.5
316.07910	7.4
324.09741	1.2
326.10049	1.6
338.07111	2.3
340.08041	4.0
370.09018	3.5
382.08994	2.4
398.09631	1.3
400.10098	4.2
418.10989	3.5
436.12088	5.6
436.17328	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30225	0.3
53.03928	0.5
55.01869	0.4
55.02705	0.2
55.05502	1.0
57.03440	0.3
59.04193	0.3
59.05005	1.7
61.02916	0.3
67.05499	0.9
69.03442	1.7
69.07068	1.4
70.30175	1.0
71.04998	11.0
73.02911	0.3
73.06567	2.6
79.05496	3.0
81.03406	1.2
81.07063	15.3
83.08640	0.4
83.13101	0.3
85.02912	3.6
85.06555	0.3
87.00848	2.3
91.05499	1.5
92.29077	0.3
93.07052	9.7
95.08616	1.9
97.02925	1.4
97.06533	1.3
99.04440	0.5
105.01868	2.6
105.07058	0.8
107.08611	8.3
109.02881	0.8
109.10170	1.8
111.08087	0.3
117.00668	0.3
119.08600	1.4
127.03955	2.3
127.11206	0.4
133.10143	0.6
135.11707	18.5
143.10690	0.3
145.04958	1.0
153.12756	100.0
154.13126	0.8
159.03001	0.3
171.13803	0.5
191.03459	0.4
203.17992	1.1
221.18954	0.6
231.05090	0.5
249.05995	0.5
249.46956	0.3
284.06345	0.4
286.06818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97494	0.2
53.03941	0.3
55.05502	0.5
57.03435	0.4
66.19168	0.2
69.03430	1.5
69.77869	0.2
70.06598	1.6
71.05002	0.2
72.08162	0.4
79.05495	3.0
80.05027	0.7
81.03436	0.2
81.05802	2.7
81.07064	2.1
82.06592	0.2
84.04500	0.5
84.08154	1.1
85.02917	1.6
86.09706	0.5
87.04482	0.6
90.05563	0.2
92.05003	0.5
94.06571	0.6
95.04955	0.5
96.08138	12.1
97.02899	1.1
97.06525	0.6
97.08472	0.2
99.04454	0.4
106.06561	2.0
107.04937	0.7
109.02906	0.2
115.03906	0.3
116.07100	0.7
121.06472	0.5
124.07602	100.0
125.06032	1.2
125.07939	0.6
130.06534	0.4
130.08548	0.2
135.04399	0.3
136.03912	0.3
142.08623	1.6
145.02818	0.3
147.04431	0.3
152.07051	0.3
154.05002	5.2
163.03929	0.7
166.08650	0.7
169.76625	0.2
172.68776	0.2
191.10707	0.3
208.13335	0.4
209.13695	0.6
256.11703	1.3
262.10822	0.3
271.04654	0.2
280.08191	1.0
286.13062	0.4
289.12216	0.3
304.13950	1.2
436.15707	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
54.31573	0.5
55.05502	1.5
57.13163	0.5
59.04999	1.3
66.75845	0.5
67.05503	0.8
69.03419	0.8
69.07059	1.6
69.93504	2.1
71.04998	13.5
73.06561	4.5
74.35625	0.5
79.05500	3.7
81.07064	16.5
85.02922	1.7
87.00826	0.6
91.05477	1.5
93.07056	11.0
95.08595	1.8
96.13657	0.5
97.02870	0.6
97.06538	1.3
98.21512	0.7
107.08600	7.2
109.02836	0.7
109.10152	1.9
111.01406	0.5
127.03904	0.9
135.11708	17.7
135.12732	1.1
137.03331	0.5
142.01895	0.6
147.78893	0.5
153.12759	100.0
154.13110	1.3
181.05031	0.6
195.96454	0.6
273.36398	0.6
291.56567	0.5
404.19043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.3
53.03941	0.9
55.01859	0.5
57.03442	0.3
57.49566	0.3
65.03947	2.2
67.05499	1.2
69.03440	1.4
69.87353	1.0
70.06589	0.9
71.04989	0.4
72.08157	0.9
74.30908	0.2
74.96446	0.3
78.03456	3.0
79.05473	0.3
80.05005	0.4
81.03432	3.3
81.07063	0.5
84.08117	0.7
85.02927	2.3
86.09718	0.7
87.00054	0.3
91.96382	0.3
93.03400	2.0
93.07057	0.5
95.04967	0.8
95.08585	0.7
96.04491	0.7
97.02895	1.1
99.04440	0.4
102.39709	0.3
105.07036	0.4
106.02225	0.6
106.02930	11.3
106.03640	0.7
107.08602	0.4
108.02099	1.4
109.02895	2.8
109.06493	0.4
109.10166	0.3
111.04453	2.1
112.01649	0.3
116.07095	0.9
123.04454	0.3
124.03965	20.5
125.05989	1.2
127.03912	2.0
133.10170	0.4
135.11662	0.4
136.01515	0.3
141.05481	1.1
145.04919	0.4
147.04416	0.6
151.03923	100.0
151.05003	6.7
152.04248	0.8
154.05037	0.4
156.50626	0.3
169.05023	1.2
169.12256	0.3
170.12674	0.3
189.22397	0.3
196.06152	0.3
197.08299	0.5
232.06187	0.4
235.06030	0.4
239.12834	1.1
250.07133	5.6
250.09540	0.5
251.07285	0.3
268.08182	7.4
357.31754	0.3
400.10434	1.9
418.11368	4.2
436.12286	4.9
436.17529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
58.68379	0.1
61.02910	0.1
69.03432	1.3
69.63335	0.6
69.63737	0.2
70.06598	0.7
70.14298	0.1
71.04965	0.2
72.08162	0.6
75.64648	0.1
77.24532	0.1
79.05480	0.2
80.05047	0.7
81.00481	0.1
81.03419	0.5
84.04532	0.2
84.08131	0.4
85.02905	1.2
86.09705	0.4
87.82239	0.2
91.05493	0.7
92.05016	5.4
93.07049	1.2
95.01360	0.2
95.05003	0.2
95.08600	0.2
96.11486	0.1
97.02890	0.3
99.04470	0.5
103.05449	0.9
108.04491	1.6
109.02882	0.6
116.07100	0.5
120.08133	0.2
121.05662	0.3
121.06519	4.6
121.10217	0.1
124.03997	0.2
127.03942	0.5
136.03947	8.9
137.04227	0.2
137.06020	0.2
144.08133	0.2
154.05005	100.0
155.05345	0.6
156.05457	0.1
172.07578	0.3
177.05363	0.2
188.56535	0.2
196.06136	0.7
202.08670	1.0
224.10747	0.3
226.08733	0.3
256.13382	1.6
257.13867	0.2
262.07098	0.5
274.11331	0.1
274.14359	0.9
275.10327	0.1
280.08182	23.6
281.08530	0.2
282.16263	0.1
289.12192	0.2
291.65610	0.1
298.09247	5.7
353.25296	0.2
365.19467	0.1
436.15289	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97803	0.4
51.02377	0.6
53.03950	3.8
55.01866	1.1
55.05515	0.5
57.03435	1.3
58.06605	0.4
60.24071	0.3
61.02933	0.5
69.03439	11.0
70.00161	1.8
70.06612	0.8
71.01334	0.5
71.05016	1.8
73.02897	0.8
78.03464	15.6
79.05523	0.6
79.82066	0.4
80.05037	2.7
81.03427	25.9
85.02917	8.5
87.00849	0.5
91.05470	0.7
93.07050	0.9
95.04994	0.8
95.08624	0.7
96.04482	2.6
97.02907	6.2
99.04457	3.8
105.01910	0.6
105.06986	0.4
106.02929	58.8
107.04973	1.2
107.08621	1.1
109.02888	13.6
120.45988	0.4
123.04443	2.2
124.03968	100.0
125.04322	0.7
127.03939	7.9
127.83148	0.4
135.11702	0.9
143.94411	0.4
145.05013	0.8
151.03931	5.6
151.05023	0.7
166.05064	0.9
196.06067	1.1
232.06120	1.5
250.07135	35.9
264.41370	0.4
268.08197	53.3
269.08344	0.6
436.12524	5.7
436.18280	0.5
446.58383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26122	0.2
50.30949	0.2
50.47195	0.2
51.77929	0.3
53.03934	0.4
55.01883	0.2
55.96235	0.2
67.05515	1.3
68.99780	1.1
69.03430	1.2
69.42574	0.8
69.42983	0.9
70.85938	0.2
71.04994	0.2
77.63117	0.2
78.03465	1.3
79.05478	0.3
80.04997	0.5
80.68240	0.2
81.03420	2.1
85.02921	1.1
89.19753	0.2
91.05447	0.3
95.04962	1.0
96.04473	0.3
97.02888	0.8
99.04463	0.5
106.02926	5.7
107.04939	0.3
109.02232	0.2
109.02868	1.2
109.10140	0.3
116.81528	0.2
123.04475	0.6
124.03964	16.8
125.06020	3.1
127.03902	0.9
135.11719	0.2
141.05421	0.3
151.03915	100.0
152.04248	0.7
169.04982	2.6
220.88385	0.3
250.07117	3.6
268.08176	12.1
303.94189	0.2
304.05243	0.3
344.08212	0.2
392.13391	0.5
418.11380	8.8
436.12756	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.6
51.02376	1.1
53.03942	2.5
55.01878	1.1
57.03453	1.1
58.06588	0.8
62.06090	2.6
67.05515	1.5
69.03436	10.1
69.07066	0.8
70.06592	7.5
71.04993	1.9
71.52120	0.9
72.08160	5.1
72.74229	0.6
73.02904	1.8
74.06107	0.7
75.25637	0.7
78.03457	16.1
79.05508	1.3
80.05016	2.8
81.03425	17.7
81.07070	2.0
83.05010	0.9
84.04508	1.1
84.08150	4.2
85.02914	10.6
86.09712	2.5
87.04491	1.0
88.03992	0.9
91.05489	1.6
93.07038	1.8
95.04990	1.8
96.04509	5.1
97.02905	5.9
99.04488	3.1
99.24116	0.7
105.07016	0.6
106.02925	62.5
107.03280	0.9
107.04971	2.1
107.08621	1.3
109.02887	12.0
109.06511	0.9
109.10186	0.6
117.07034	0.7
119.04881	0.7
120.08118	1.7
121.02856	3.6
123.04456	6.3
123.11743	1.0
124.03965	100.0
125.04311	0.9
126.05524	0.8
127.03927	7.3
129.10207	0.8
135.11717	1.4
136.03970	1.6
136.07600	0.7
145.04967	1.7
147.04451	1.1
151.03923	2.8
151.07570	1.6
154.05013	3.3
157.10109	0.9
161.05965	0.7
166.05013	1.4
169.04950	0.8
189.09085	1.4
202.08598	1.1
203.10716	0.8
208.06096	0.8
231.10332	0.6
232.05920	1.6
238.17973	0.9
239.12828	1.3
249.11270	1.1
250.07124	27.9
256.13370	1.7
256.19208	1.3
257.13907	0.9
268.08182	39.0
274.16580	1.1
280.08109	0.8
285.12228	0.7
315.13403	1.2
369.88055	0.6
418.11288	9.0
418.34189	1.1
436.12415	30.5
436.18707	3.2
436.27750	1.7
437.17996	0.9
459.86646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43676	0.4
51.02386	0.9
51.67754	0.4
53.03954	3.5
53.78842	0.3
55.01877	0.7
55.05519	0.8
57.03432	1.1
58.06613	0.5
59.05008	0.4
59.85687	0.4
61.02950	0.8
67.05502	1.1
69.03439	8.7
69.07072	1.6
69.43124	1.8
69.43534	0.8
70.06589	1.0
71.05003	2.0
72.08174	0.6
73.02922	1.4
78.03465	9.5
79.05502	1.5
80.05034	2.5
81.03429	14.9
81.07072	2.5
83.08654	0.4
85.02914	11.3
87.00833	3.4
91.05492	2.1
91.15607	0.4
93.07051	8.9
95.04984	0.5
95.08623	3.4
96.04520	2.2
97.02905	6.5
97.06539	5.0
99.04483	3.5
105.01886	4.9
105.07053	0.9
106.02927	32.1
107.05016	0.4
107.08598	9.3
109.02135	0.6
109.02890	12.1
109.06512	0.7
109.10155	1.4
115.03914	0.4
119.04958	0.3
119.08611	0.8
121.10143	0.5
123.04447	1.9
124.03967	100.0
125.04279	0.8
127.03934	10.9
135.11708	27.3
137.13272	0.4
145.04994	3.0
147.04422	0.6
151.03923	3.5
151.11290	0.4
153.12764	7.1
159.02859	0.5
163.03951	0.7
166.05003	0.9
167.07094	0.5
169.04984	14.6
171.13808	1.5
181.04953	0.7
193.04991	1.1
196.06041	0.5
211.06052	0.8
217.04965	0.4
226.07187	2.0
231.04912	1.6
233.08150	1.0
234.08447	1.1
235.06035	0.9
241.26953	0.4
249.06178	1.1
250.07135	17.9
259.06070	0.6
268.08185	65.3
269.08368	0.9
277.07324	0.4
303.05014	1.5
304.05377	3.6
358.08966	0.5
400.10107	0.3
401.18021	0.9
418.11221	0.8
418.16397	0.6
436.12460	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2511
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.03934	2.9
55.05513	22.0
57.03441	14.1
57.07063	5.4
67.05514	58.3
67.05878	3.6
69.06792	2.1
69.07079	19.5
70.28654	7.5
71.05009	3.1
72.15199	2.4
79.05486	18.4
81.07061	62.9
83.04974	2.2
83.08608	13.3
91.05478	12.1
93.07059	16.5
95.08617	57.0
97.06531	7.3
97.10158	3.6
98.98473	100.0
99.08104	3.5
105.07040	9.5
107.08610	11.8
109.10167	25.5
111.08064	3.0
115.05836	2.1
119.08608	7.4
121.10146	11.6
122.45567	2.2
123.08058	3.4
123.11722	9.1
127.11208	2.4
131.11137	2.2
133.10136	10.2
135.11693	7.2
137.13263	5.7
140.01106	2.7
147.11763	6.1
149.13263	7.3
151.14848	5.3
155.01047	79.9
161.13261	4.8
163.14803	4.3
165.16454	4.3
173.02138	12.2
175.14864	4.9
202.58151	2.3
245.22649	25.9
259.40503	2.3
263.23740	64.9
301.20078	2.9
303.04843	3.4
337.27377	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2509
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
50.27228	1.7
55.05516	12.6
55.16091	1.4
57.03448	8.2
57.07063	4.6
66.52010	1.4
67.05186	2.6
67.05512	40.2
69.07076	16.5
71.38474	3.0
73.49897	1.6
74.90820	1.5
79.05495	10.5
81.06592	2.2
81.07062	40.4
83.08627	10.5
84.57520	1.8
91.05476	6.3
92.16696	1.5
93.07037	9.8
95.08616	34.3
97.06532	2.3
97.10162	7.2
98.98477	49.2
105.07017	4.9
107.08602	6.8
109.10162	16.8
111.08077	2.0
111.11665	1.9
113.00082	2.1
119.08575	6.9
121.10187	7.4
123.11700	6.9
133.10117	4.5
135.11693	4.0
137.13223	3.1
147.11716	3.0
149.13260	1.9
151.14754	2.0
155.01060	21.4
161.13278	2.4
165.16469	3.0
169.55333	1.6
173.02113	7.6
175.14943	2.4
204.81955	1.8
245.22655	9.4
263.23706	20.0
337.27390	100.0
459.78006	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44670	0.3
52.10983	0.3
52.68964	0.3
55.01865	0.9
57.03448	2.2
60.51694	0.3
61.02920	1.4
67.05538	0.3
68.99802	0.7
69.03426	1.4
70.06226	1.3
71.01343	0.9
73.02925	9.4
78.01119	0.3
81.03441	0.4
84.95826	0.3
85.02914	2.0
93.03426	0.5
97.02900	0.7
107.05028	0.3
109.02913	0.7
109.10191	0.4
111.00824	0.9
111.46738	0.3
115.03931	1.2
121.02900	1.0
123.04485	0.4
125.09642	0.3
127.03904	0.6
133.04965	1.3
136.18828	0.3
137.02373	2.9
153.01842	3.8
163.03944	0.6
165.01857	1.9
165.82248	0.3
166.02724	0.3
169.12173	0.5
173.06030	0.4
180.28052	0.3
183.02901	0.8
201.05510	1.7
228.04210	0.3
229.04996	4.7
237.18364	0.4
247.06087	0.8
257.04547	3.3
274.04651	0.8
275.05447	0.3
285.03928	1.0
303.05023	100.0
304.05362	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1268
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
56.89239	0.4
69.69135	0.8
69.69546	2.2
79.87189	0.4
92.69808	0.4
93.07000	0.5
95.11046	0.4
97.06526	0.6
119.04959	0.5
126.88950	0.4
167.07065	0.5
181.05023	0.8
186.06604	1.0
186.08232	0.5
187.07446	0.7
208.05681	0.6
227.05278	1.9
235.37881	0.5
258.52481	0.4
271.04199	3.3
276.08264	0.5
283.06000	0.5
285.06851	1.1
303.05032	0.9
315.07629	1.8
349.12521	4.0
373.12595	0.7
391.13666	31.0
392.13989	0.7
399.09586	0.6
435.12659	100.0
436.13016	0.9
441.01306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1291
Annotation	Hemiphloin
Peak:m/z	Relative Intensity
55.01878	2.0
56.15742	1.1
57.03443	8.0
57.64909	1.0
58.91390	1.2
59.04982	1.4
59.73391	1.1
61.02929	1.3
68.82414	1.1
68.99797	2.9
69.03423	5.5
70.03787	1.4
70.56711	2.4
70.57077	2.1
73.02921	2.4
79.26236	1.1
81.03383	2.5
85.02916	20.5
87.04475	3.1
91.05482	1.7
95.04961	3.4
97.02907	5.6
105.07038	5.1
106.07375	1.5
107.04941	2.9
109.02896	4.7
115.03970	5.7
116.04336	1.5
119.04938	4.2
119.08565	1.3
121.02893	15.5
121.06515	1.7
123.00819	1.0
123.04437	6.3
125.02355	3.2
127.03905	1.6
133.04962	4.7
133.10127	1.5
135.04448	1.7
141.01764	1.3
147.04430	14.1
149.02364	2.8
151.03967	2.2
153.01871	5.9
163.03960	6.7
165.01855	46.9
171.02945	2.6
177.01843	16.1
179.03476	1.3
181.04916	1.8
183.02922	8.4
187.03899	1.1
189.01848	5.6
190.99800	1.8
191.03429	26.8
195.02913	100.0
203.03331	1.4
205.04993	2.5
207.02916	2.3
215.03413	4.4
219.02922	37.8
231.02904	33.5
233.04494	2.0
233.08220	1.2
236.39883	1.2
237.03928	1.4
243.03006	8.3
249.03938	10.3
261.04007	23.0
273.07581	5.1
279.05026	7.1
285.07611	37.9
297.07712	17.7
303.04993	13.3
315.08658	19.9
325.19510	1.2
331.71820	1.3
339.04794	2.2
339.08691	35.3
351.08658	22.1
363.08710	9.6
369.09723	4.6
376.80157	1.2
381.09732	12.7
399.10812	15.2
417.11670	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	435.0926
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
52.87706	0.2
53.01240	0.3
53.86639	0.2
57.03429	0.7
61.02934	1.5
68.99793	0.6
69.03413	0.3
71.01366	0.3
71.46313	0.4
73.02921	14.2
85.02902	0.4
107.04948	0.3
109.02891	0.4
111.00778	0.7
115.03936	1.1
121.02870	1.0
137.02354	2.7
145.06410	0.4
146.60992	0.3
149.02290	0.4
153.01825	3.9
155.04964	0.3
163.03906	0.7
165.01833	2.1
167.07040	0.9
173.05981	0.5
181.04980	0.7
183.02890	0.8
183.04430	0.4
187.03929	0.3
195.02968	0.3
201.05522	2.3
219.06471	0.3
229.04984	4.8
233.08089	0.4
247.06079	0.8
257.04449	2.8
274.04739	1.1
285.04041	1.3
303.05011	100.0
304.05463	1.3
378.14517	0.3
417.15332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.5
61.02935	2.1
67.05495	0.4
68.99796	0.6
69.03420	0.6
69.86279	0.5
69.86669	0.5
71.01330	0.3
71.04980	0.3
73.02925	13.6
76.41668	0.2
81.03420	0.3
81.07027	0.4
85.02896	0.7
91.05468	0.2
93.03424	0.4
95.73880	0.2
97.02852	0.3
105.01868	0.2
105.07034	0.3
109.02898	0.5
111.00809	0.6
111.06494	0.2
115.03947	1.2
121.02896	1.0
123.04437	0.3
127.03920	0.6
137.02341	3.0
145.06482	0.3
149.02354	0.5
151.11122	0.3
153.01839	4.4
161.06073	0.4
163.03946	0.8
165.01851	2.0
166.02710	0.2
169.12300	0.4
173.05997	0.3
179.47507	0.2
179.53014	0.2
183.02893	0.9
183.04327	0.4
187.03934	0.3
198.28253	0.2
201.05472	2.1
207.02997	0.2
215.03128	0.3
227.91508	0.2
228.04256	0.4
229.04976	4.4
247.06078	0.9
257.04483	3.3
274.04800	0.8
285.04013	1.1
303.05014	100.0
304.05414	1.7
314.51071	0.2
458.56033	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01882	1.5
57.03205	1.3
57.03442	19.8
59.04991	4.3
60.04511	2.4
61.02924	2.7
67.05475	0.9
69.03432	77.8
69.16528	11.5
70.06561	1.3
71.05003	1.1
73.02905	4.4
73.09009	1.1
75.04446	1.7
79.05450	1.3
81.03427	5.2
81.07070	1.4
83.04964	1.3
84.08149	1.6
85.02905	86.4
86.09713	1.1
86.57458	1.1
87.00809	1.3
87.04470	55.2
91.03970	2.6
91.05459	2.1
93.07014	2.3
97.02893	74.6
98.20773	2.1
99.04437	3.5
103.03957	2.1
105.01877	1.9
105.07047	8.7
109.02888	6.1
111.04492	1.2
111.34058	1.0
113.20367	1.1
115.03931	100.0
118.04228	1.0
118.34458	1.0
121.10172	1.3
124.03909	2.3
127.03924	19.2
133.04971	99.2
133.10118	4.5
145.04959	33.0
147.08009	2.3
150.07617	15.6
151.03946	1.6
163.06062	15.0
167.06982	2.4
169.04990	2.2
171.07970	1.3
181.05002	2.3
182.05206	1.2
189.09081	1.1
193.04741	1.0
193.16699	1.3
197.37726	1.1
201.09116	3.3
219.10097	1.9
223.06010	1.8
231.10060	1.3
241.07127	3.8
259.08179	5.5
273.07562	1.2
277.09125	4.2
285.13345	4.2
287.05478	1.1
295.10181	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	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
53.47839	1.2
55.01873	2.1
57.03424	3.0
61.02932	1.9
62.78164	1.2
67.05519	1.3
69.03440	15.2
70.06567	2.7
70.76875	3.0
71.05000	2.5
73.02914	2.5
79.05500	3.0
81.03439	11.0
81.07056	3.4
85.02914	39.7
86.09715	1.6
87.00838	18.7
91.05480	5.0
93.07058	11.5
95.04954	2.0
95.08607	2.3
97.02903	17.0
97.06464	1.1
97.15250	1.2
99.04466	5.7
99.74054	1.4
103.05469	1.2
104.72282	1.4
105.01870	27.7
105.07041	46.6
106.02908	1.9
107.03312	1.4
107.04984	1.4
107.08599	6.6
109.02889	8.4
109.06532	12.1
109.10204	2.9
110.07198	3.0
114.99680	1.3
119.04903	1.2
121.10176	1.6
123.11685	2.1
124.03993	2.5
127.03927	24.3
131.08611	2.0
133.10144	100.0
137.05928	1.4
145.04971	14.6
145.10123	1.5
148.26750	1.5
151.11206	5.5
153.01877	2.3
159.02878	4.2
177.12814	1.4
187.12312	2.1
188.12677	1.6
214.28891	1.5
216.12230	2.7
228.31779	1.2
231.04996	7.2
249.06059	3.0
261.12390	1.9
262.12656	3.7
271.05984	1.6
272.06326	2.5
272.12802	1.2
273.07645	3.6
284.06293	2.5
288.05850	1.5
294.76834	1.4
303.05038	2.0
304.14914	1.9
314.07550	1.5
416.10596	1.3
417.23340	1.6
434.26022	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	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70378	1.0
53.03926	2.0
54.14935	1.1
55.05506	2.9
57.03180	1.3
57.03441	10.1
58.06601	1.7
61.02911	1.0
67.05492	1.4
68.99821	1.1
69.03419	3.0
70.06603	8.5
71.04996	68.8
71.53352	2.0
72.08144	2.5
73.02907	2.8
75.04475	4.8
79.05484	2.8
81.03414	3.3
81.07055	2.7
83.04986	8.4
84.08147	4.6
84.69216	1.0
85.02909	100.0
86.09694	1.9
87.04469	2.6
91.05480	22.7
93.07042	3.6
95.04955	1.2
95.08595	1.8
97.02888	8.6
99.04433	2.0
101.06054	1.5
103.03932	1.4
105.01838	1.7
105.03347	1.4
105.07028	2.8
107.04958	29.3
107.05636	2.3
107.08607	2.3
109.02890	2.5
109.62821	1.1
111.04449	6.1
115.03895	2.2
115.05458	2.6
116.07088	1.9
121.06518	1.9
121.10136	1.4
123.04435	5.2
124.03963	7.6
127.03918	7.2
129.05486	55.0
131.04918	1.2
133.06502	3.8
133.10147	2.4
135.11674	1.6
137.06082	1.4
140.11620	1.2
143.04919	6.4
145.04961	5.1
145.06476	3.8
146.08151	2.5
147.04659	1.5
147.06538	27.9
151.03929	2.4
151.07515	1.4
151.11195	1.5
161.06001	5.6
163.06075	1.0
164.07072	4.0
164.09232	8.4
167.07036	17.7
175.07495	1.4
180.06441	1.3
217.99051	1.4
219.10167	1.6
237.09100	1.3
253.09814	2.1
255.10292	10.8
268.08160	5.6
272.12839	14.7
273.09662	2.8
282.09592	1.4
285.07388	1.4
287.05469	1.9
288.05914	5.9
295.10779	1.4
309.11844	2.2
434.18161	40.3
434.27466	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01868	3.0
57.03445	10.4
58.48233	0.7
60.48883	0.8
61.02921	2.4
65.69402	0.7
69.03439	5.9
70.06605	6.2
70.19553	1.9
70.19957	1.4
71.04998	2.1
72.08161	1.9
73.02905	1.2
75.04472	4.3
79.05499	1.4
81.03439	3.9
81.07084	1.3
84.08138	2.9
85.02438	1.2
85.02913	18.1
86.09682	1.5
87.00852	1.9
91.03962	0.8
91.05489	6.9
93.07043	2.1
95.03652	0.7
95.04964	1.3
97.02912	6.4
99.04443	1.4
102.04710	0.9
103.05473	31.6
105.01878	1.1
105.03390	1.1
105.07034	2.8
106.02891	1.0
107.04925	1.4
107.08638	0.8
109.02881	2.2
109.06541	1.8
110.03658	4.6
119.04962	10.4
119.08640	0.8
120.08088	0.9
121.02854	1.9
121.06518	6.8
123.04446	11.5
124.03983	1.2
124.05234	2.9
127.03936	5.8
129.10217	1.8
130.04138	1.4
131.04939	100.0
132.05261	1.5
133.06494	1.7
135.04451	1.2
135.08044	2.9
137.05992	21.0
138.06770	16.0
145.04984	3.5
147.04407	1.6
148.05212	12.5
149.06013	2.1
151.07558	11.3
152.08344	1.0
157.06508	1.0
161.06023	4.4
162.06729	1.7
163.07561	65.2
165.01880	0.8
166.04944	0.7
166.06259	18.3
169.12263	0.8
173.09654	1.6
175.07518	1.8
177.09167	1.4
179.07063	4.7
180.07767	1.3
181.08611	28.0
191.10750	0.8
193.08707	1.4
201.09193	1.4
207.10178	1.2
219.10289	2.6
231.05162	1.1
237.11255	16.7
237.13503	1.4
255.12305	61.0
277.10773	1.2
283.06046	1.3
284.06369	5.2
285.07230	1.4
288.05692	1.5
314.07425	4.7
338.07559	2.0
368.08423	1.6
398.09665	1.9
399.16846	1.8
416.10419	1.9
424.22977	0.9
434.11642	2.8
434.17465	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1815
Annotation	Naamidine D
Peak:m/z	Relative Intensity
52.60139	0.4
53.03953	0.5
54.19487	0.5
55.01871	1.0
56.76037	0.4
57.03441	1.1
61.02925	1.4
61.35044	0.4
69.03436	5.5
70.06587	1.5
70.48904	1.5
71.04992	0.7
72.08160	0.6
73.02924	1.0
77.99541	0.5
78.03469	0.6
79.05493	1.0
81.03416	1.8
81.07082	0.6
84.08138	0.4
85.02914	7.6
86.09692	0.6
87.04493	1.3
91.05486	1.0
91.58078	0.4
93.07050	0.5
95.04981	0.8
97.02896	4.6
98.20893	0.4
99.04448	0.7
103.05511	0.7
105.07055	0.8
106.02924	1.1
107.04965	76.3
109.02901	1.4
115.05460	6.9
115.75646	0.4
117.07021	1.1
119.04937	0.9
121.02852	0.5
121.06504	3.5
123.04446	8.3
124.03969	2.3
127.03923	2.7
128.07104	2.8
129.10280	0.5
131.04964	1.3
133.06523	0.7
135.04442	1.6
137.05997	1.1
143.04942	14.3
145.05008	0.7
145.06493	8.0
147.04446	0.7
149.06006	1.4
151.07558	1.1
161.05995	13.1
164.07082	6.5
178.08675	0.8
181.10112	0.6
191.08601	0.5
193.08655	0.5
194.07303	1.2
209.09608	3.6
212.67435	0.5
219.08081	0.6
226.06281	0.8
237.09074	3.4
237.11089	0.5
250.07202	0.7
255.10190	31.8
268.08142	0.6
272.12830	37.8
284.06418	1.7
310.07990	0.6
314.07465	1.3
334.25372	0.5
338.07373	0.7
416.10541	0.6
433.38651	0.5
434.18140	100.0
435.18411	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	434.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04703	0.6
53.03940	1.3
55.01873	1.0
57.03434	1.9
58.06580	0.8
59.04974	0.9
61.02925	2.5
69.03434	6.2
69.68401	3.3
70.06593	2.3
71.04997	1.0
73.02930	1.2
79.05489	1.4
81.03432	3.3
81.07068	0.9
85.02444	0.9
85.02913	11.9
87.04466	2.7
89.06042	0.9
91.05499	1.8
93.07041	1.4
95.04963	1.0
95.44353	0.6
97.02907	7.6
98.20803	1.5
99.04465	1.7
105.05579	0.9
105.07027	1.3
107.04967	75.6
108.05277	0.7
109.02898	2.4
115.05463	6.0
119.04969	1.4
121.02922	0.8
121.06519	2.5
123.04448	11.2
124.03973	1.0
127.03957	3.9
131.04970	0.9
133.06517	1.8
137.05983	0.9
143.04945	14.7
145.05000	2.3
145.06500	7.3
149.06024	1.5
161.05997	13.7
164.07106	7.8
169.12320	1.4
181.10255	0.7
191.08554	1.5
194.07304	1.2
209.09746	3.5
231.08673	1.0
237.09181	4.2
255.10197	34.2
270.11353	0.7
272.12866	38.8
276.44781	0.7
287.05515	1.7
288.05850	3.4
363.63284	0.6
390.22607	0.7
393.12152	0.7
422.34088	0.7
434.18182	100.0
435.18512	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	434.1811
Annotation	Naamidine D
Peak:m/z	Relative Intensity
53.03947	1.3
57.03443	1.2
58.06604	1.0
60.16133	0.5
61.02923	2.0
69.03434	6.3
70.06597	1.1
70.18334	2.0
71.05025	0.7
73.02928	1.1
74.06071	0.9
79.05491	1.0
80.98006	0.5
81.03424	2.3
83.01334	0.6
84.04485	0.5
84.08144	0.6
85.02914	11.0
86.09727	0.9
87.00890	0.5
87.04486	1.3
91.03990	0.6
91.05475	2.5
95.04980	1.0
97.02897	4.9
99.04468	1.2
103.05494	0.8
103.80306	0.5
105.47556	0.5
106.02937	1.2
107.04966	92.6
109.02877	2.5
115.03925	0.8
115.05457	4.8
116.07086	0.6
117.07047	1.5
121.06502	3.4
122.02752	1.7
123.04446	12.1
124.03983	2.4
127.03952	3.6
128.07094	3.0
131.04950	1.1
133.06493	2.1
133.37108	0.5
135.04433	0.8
135.08131	0.5
137.06018	2.3
143.04941	12.2
145.05000	1.6
145.06520	9.0
149.06013	2.3
150.03117	1.3
151.03917	3.9
151.07603	0.7
153.05597	0.8
155.01636	0.9
155.06122	0.6
161.06000	27.8
163.03951	1.7
164.07086	5.5
183.01192	2.4
191.08554	0.8
194.07172	0.7
209.09721	3.4
213.06662	0.6
214.06985	1.5
226.06326	1.2
230.07208	0.6
237.09111	4.1
240.07964	1.0
241.06158	1.1
242.06517	1.5
255.10196	36.3
268.08261	1.4
268.86887	0.6
272.05951	4.9
272.12820	24.0
288.05820	0.8
334.91727	0.5
422.33765	0.8
434.18161	100.0
435.18488	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02974	1.5
53.03937	4.2
55.05273	1.8
55.05518	27.7
55.55500	1.5
57.03411	2.9
57.07072	2.2
59.04717	3.3
59.05007	57.8
67.05515	10.7
69.03436	3.0
69.07070	8.4
69.92709	7.6
71.04996	2.8
75.04490	1.8
79.05515	13.4
81.07072	15.4
83.04988	3.4
83.08611	4.8
85.06552	100.0
91.05490	40.7
91.14877	1.8
93.07054	24.0
95.04958	5.4
95.08614	20.5
95.27743	1.7
97.06513	4.0
97.07972	1.6
99.08113	2.9
103.05504	2.4
105.07044	35.1
107.08607	21.6
109.06505	9.2
109.10165	13.5
111.08103	15.0
113.00026	14.2
115.05465	4.5
116.06217	1.4
117.07032	16.3
119.04945	3.1
119.08590	56.8
121.02901	3.2
121.06558	1.8
121.10148	25.3
122.07251	2.7
123.08063	7.2
125.09648	25.7
128.06232	5.4
129.07008	10.0
130.07756	5.9
131.08582	20.8
133.10158	23.2
135.08089	8.3
135.11739	10.0
137.09631	22.8
141.06998	3.5
141.09131	1.9
142.07820	12.2
143.08586	20.9
144.09352	3.4
145.10143	28.8
147.08037	5.1
147.11678	9.7
149.02519	1.7
149.09637	9.2
149.46376	1.9
151.11217	28.8
153.07027	2.7
155.08571	8.3
155.63431	1.8
156.09343	10.5
157.10152	26.8
159.08052	2.8
159.11707	15.4
161.09653	4.5
161.13226	3.1
163.11127	8.4
165.01910	3.9
165.07053	2.3
166.07852	2.3
167.08543	3.4
168.09331	3.7
169.02615	14.8
169.10156	9.9
170.10968	3.4
171.11729	16.9
173.09695	2.5
173.13260	7.1
175.11150	5.8
175.14818	3.7
177.12758	3.5
179.08598	5.3
181.10130	7.8
182.10944	4.5
183.02873	2.0
183.11725	13.8
185.13345	10.5
187.11223	3.2
189.12727	5.4
193.10139	6.3
194.10945	6.0
195.11722	7.5
196.12447	3.2
197.13264	8.8
199.14748	3.1
201.12634	3.1
203.14342	7.7
205.10014	2.2
206.10989	2.2
207.11661	5.1
208.12627	3.2
209.13300	12.4
211.14896	4.7
213.12468	1.8
215.14326	5.0
219.11584	2.7
220.12425	3.0
220.36494	1.8
220.67314	1.7
221.13292	8.0
223.14873	6.1
225.16374	5.1
231.11714	1.8
232.12456	2.2
233.13206	2.3
235.14783	5.8
239.14282	2.3
249.16389	2.4
251.17967	2.9
256.07333	2.6
259.14774	2.3
263.18103	2.7
265.19510	2.7
266.19904	2.2
267.06335	3.8
271.05923	2.5
281.08209	2.2
283.06049	30.8
284.06763	7.7
291.21039	2.6
295.06082	4.4
297.07590	2.2
309.07504	10.8
313.07022	28.5
323.09161	6.0
337.07153	15.5
341.24826	3.2
349.07117	3.4
354.25592	2.6
361.07166	3.6
367.08206	8.8
379.08084	8.3
397.09222	9.7
415.10590	7.8
433.11414	13.0
433.19446	3.1
433.25098	2.0
433.30762	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	433.2354
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05510	8.5
57.03447	10.6
57.07068	2.1
58.43554	1.4
65.03936	2.1
66.19881	1.1
66.29533	1.1
67.05511	44.8
69.07075	7.5
69.78313	3.1
69.78703	2.6
71.08640	1.4
79.05497	25.8
81.07064	48.7
83.04954	1.7
83.08623	4.1
83.74162	1.1
85.06535	1.6
91.05486	11.4
93.07051	35.4
95.08615	40.2
96.09008	1.3
97.06525	2.1
97.10191	1.4
98.20785	1.5
98.98475	64.4
105.07008	6.9
107.08601	23.5
109.10160	18.8
111.08088	2.0
113.09721	1.5
117.07069	4.3
119.08623	8.5
121.10152	17.3
123.11710	7.4
131.08583	8.3
133.10127	9.9
135.11713	11.9
137.13196	2.2
145.10115	7.5
147.11708	5.2
149.13284	8.3
155.01051	8.0
159.11748	6.6
161.13245	4.8
163.14819	6.6
173.02116	11.5
173.13315	5.6
175.14835	2.5
187.14777	3.5
190.61163	1.2
191.54274	1.1
233.22722	2.7
238.11290	1.3
243.21065	11.8
261.22153	43.0
262.22668	1.5
279.23199	1.9
291.23224	1.5
317.24734	5.7
323.92831	1.6
335.25824	100.0
336.26230	1.9
415.22549	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81664	0.9
53.03935	2.3
53.36199	0.8
55.01866	1.5
55.05509	7.8
57.03436	1.2
57.07076	1.3
58.06621	0.9
59.34631	0.8
66.80463	0.9
67.05190	1.1
67.05514	17.3
69.03427	2.4
69.07077	9.3
69.43339	4.8
71.04974	0.8
72.08133	1.1
75.12210	0.8
79.05078	1.6
79.05502	25.0
81.03427	1.6
81.07066	26.6
83.04963	1.4
83.08627	6.3
85.02843	0.9
85.06578	0.8
91.05479	13.8
93.07051	37.3
95.04977	1.8
95.08617	20.1
97.06516	2.1
97.10159	2.3
105.07041	12.1
107.04850	1.1
107.08608	26.0
109.06515	2.8
109.10173	6.9
115.48207	0.9
117.07048	4.7
119.08592	10.4
121.06546	1.0
121.09321	1.2
121.10154	13.9
123.08072	1.8
123.11684	2.5
127.03942	1.2
129.07014	2.3
131.08604	4.4
133.10150	7.2
135.04457	1.0
135.08038	1.5
135.11697	21.6
137.05966	1.2
137.09584	1.3
143.08604	2.3
145.10146	4.2
147.11703	7.5
149.09631	1.8
149.13266	12.3
151.07605	1.8
151.11246	1.4
153.60690	0.9
155.06961	1.3
157.10121	1.6
159.11717	2.9
160.75601	0.9
161.13297	4.1
163.11179	2.0
163.14815	2.9
165.05478	16.4
166.06229	3.2
171.11732	2.3
173.13269	3.7
175.11197	1.1
175.14735	1.7
179.10727	0.9
181.05011	1.3
181.08713	5.4
185.13261	2.6
189.09145	0.9
189.12770	1.7
190.06091	0.9
191.10626	1.4
195.13812	1.1
199.14844	1.6
202.09898	1.6
203.10541	0.9
203.91191	0.8
207.13878	1.7
213.16348	1.5
217.08565	8.0
219.10170	1.5
221.15349	2.6
233.11771	2.8
235.16908	3.0
241.19469	3.6
247.09601	1.1
259.20496	5.9
260.95428	0.8
275.19989	1.8
277.21646	100.0
278.22018	1.6
283.06177	1.4
287.05545	7.0
295.22647	1.3
312.25977	0.9
313.07007	1.2
356.16830	0.8
385.16440	2.0
397.15866	1.2
397.20673	4.4
415.16977	1.8
415.21732	1.7
433.17224	1.1
433.22565	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	433.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66432	1.0
69.54251	6.3
72.08145	0.9
79.05495	5.5
81.03424	2.2
91.05478	3.0
95.04929	1.4
100.58051	0.9
103.05457	1.5
105.07007	1.7
107.04976	7.0
115.05431	1.6
117.06997	3.6
122.03661	1.4
123.04415	1.4
124.05205	1.7
129.06976	1.8
131.08617	1.6
136.05206	1.5
137.05957	1.5
141.03397	1.1
145.06488	5.2
148.05182	3.5
151.03915	2.4
151.07535	3.7
157.06450	1.4
159.08043	2.9
165.05473	11.8
166.06270	9.9
167.07053	21.2
173.05977	6.1
174.06706	1.2
175.07529	2.2
177.05501	1.2
181.05003	1.2
181.08603	32.3
187.07541	4.4
188.08258	3.3
189.05391	1.3
189.09073	1.8
190.06227	1.5
195.06537	4.0
197.06053	1.4
198.06902	2.0
201.05530	2.5
201.09055	1.8
202.09868	5.5
204.07822	3.6
205.08611	8.1
207.06544	1.3
210.06772	1.4
213.09032	1.1
217.08571	9.5
218.09312	2.1
219.10170	8.6
221.08067	1.1
226.06209	3.0
231.10167	6.8
233.11765	3.3
239.07034	2.5
240.07698	1.7
241.08604	11.9
247.09680	4.8
250.06317	2.8
252.07857	1.7
253.05046	3.2
253.08530	1.8
255.06487	2.3
256.07269	1.5
257.08157	1.5
261.11276	5.7
264.07837	1.4
268.07217	1.6
269.08087	3.0
270.08942	2.8
271.05975	5.4
277.08450	2.0
278.09302	1.6
281.07962	1.7
283.06314	2.0
283.09622	10.0
285.07581	5.7
285.11099	2.6
286.08435	8.1
287.05426	4.0
291.10132	4.2
296.10468	3.3
299.05646	2.1
299.09158	4.0
300.09875	3.2
300.72241	1.1
301.10721	6.8
306.12411	2.5
307.09665	3.2
311.09213	1.6
313.07129	1.2
313.10608	1.7
314.11487	3.0
319.09598	2.0
321.11142	2.5
322.11835	2.0
323.09149	1.4
323.12708	3.2
324.09824	2.2
329.10217	58.8
333.11243	1.7
334.11954	2.3
335.12677	2.3
337.14435	1.9
341.10300	1.4
344.12579	100.0
345.13358	6.4
350.11325	1.6
351.12262	5.7
354.14566	2.1
357.13443	8.1
365.13821	5.0
366.14679	9.5
367.11661	1.7
370.14059	1.4
382.14307	2.9
383.14993	4.1
385.16400	4.9
397.16476	16.9
415.17615	13.7
455.52921	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97379	0.7
57.03421	1.0
58.06598	2.0
68.99837	0.9
69.03432	1.4
69.31867	4.8
69.32278	1.2
69.69855	0.6
70.06580	1.8
72.08150	2.7
74.30072	0.7
81.03434	0.8
81.07018	0.8
83.04928	0.9
85.02911	3.9
86.09700	2.2
93.07062	0.8
95.04977	0.8
97.02901	0.8
105.07024	1.0
109.02888	1.8
119.04960	0.9
121.02879	1.6
123.04478	1.2
127.03954	1.4
133.06473	0.8
135.04387	0.8
137.02344	2.2
137.05940	1.3
139.03979	0.7
143.26025	0.7
145.06444	0.9
147.04417	2.2
149.02386	1.2
149.05981	1.0
151.03876	1.2
151.05013	1.3
157.06461	0.8
159.04413	2.0
161.05988	1.9
163.03885	2.7
171.04460	2.2
175.03923	4.9
177.05508	1.0
179.04536	1.1
181.04906	1.1
185.06035	2.4
187.03926	2.3
189.05487	3.1
191.03407	1.6
193.05026	1.4
197.05952	1.2
199.03909	2.7
201.05530	1.1
203.03444	4.0
205.04990	7.6
207.06613	1.2
209.04491	2.1
213.05309	3.7
215.03418	4.0
217.05000	5.8
221.04459	9.2
223.06067	1.8
225.05385	0.8
229.05019	2.5
231.06575	4.8
233.04485	14.0
235.06032	8.8
241.04831	4.0
245.04543	3.4
247.06047	3.2
249.07744	1.2
251.05521	11.8
255.06587	1.4
259.06006	6.3
261.03918	1.1
263.05585	5.0
266.10107	0.9
271.06067	2.9
273.07745	1.4
275.05521	5.2
277.07126	6.2
281.06650	4.7
283.06116	2.0
287.05530	100.0
288.05792	1.5
289.07208	2.1
299.05524	6.5
301.07129	3.6
305.06589	10.7
311.05612	1.6
317.06628	7.1
319.08203	2.5
329.06653	4.7
335.07626	6.6
337.09293	1.1
341.09689	0.8
347.07623	3.4
353.08707	2.1
365.08673	5.0
383.09622	5.8
387.08908	0.9
401.10880	1.7
433.09860	1.2
433.16965	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00127	1.1
58.06593	2.5
60.30206	1.3
69.03426	2.2
69.07018	1.3
69.70737	1.1
69.77315	1.2
70.06583	3.9
71.11865	1.1
72.08156	4.5
81.03425	3.0
81.07068	1.6
83.04988	1.4
85.02915	5.6
86.09717	7.5
87.29524	1.4
91.05507	2.2
93.03395	1.5
95.04978	1.4
97.02892	2.8
105.03411	1.9
107.04906	1.2
109.02896	3.2
110.07155	2.1
115.05475	2.0
119.04944	1.6
121.02881	4.2
121.06449	1.7
123.04485	2.3
127.03888	1.4
131.04979	1.7
133.06549	2.1
135.04472	1.7
137.02339	4.2
143.04901	1.5
147.04411	4.6
149.05948	2.0
151.03935	2.4
157.06461	2.2
159.04451	3.7
161.06021	3.2
163.03879	6.2
171.04440	5.3
175.03899	10.0
177.05458	4.4
181.04932	2.2
185.05949	3.0
187.03947	6.3
189.03975	1.5
189.05437	7.5
191.03490	2.9
193.04950	3.2
197.81647	1.3
199.03906	3.0
201.01831	1.4
201.05478	1.6
203.03439	7.7
203.07033	2.4
205.04980	12.9
207.06636	2.8
209.04459	5.0
213.05516	4.9
215.03401	7.8
217.04945	10.6
219.03021	2.2
219.06456	1.9
221.04453	21.4
221.06427	2.1
223.06068	4.9
225.05463	1.3
227.03461	2.0
227.06931	1.6
229.05023	3.9
231.06526	10.1
233.04462	26.4
235.06035	21.6
237.05536	1.5
241.04695	6.1
243.06613	2.6
245.04387	9.5
245.08052	1.6
247.06082	6.2
249.07600	2.7
251.05574	20.4
253.07088	1.7
255.06619	2.8
259.06052	12.0
261.03946	3.2
263.05533	12.9
269.04446	3.3
271.06073	5.2
273.07632	2.2
275.05505	14.2
277.07104	11.2
281.06717	14.2
283.05981	3.7
287.05530	100.0
289.04297	1.5
289.07062	7.2
299.05505	11.8
301.06998	11.6
305.06595	23.4
311.05713	2.6
317.06506	14.9
319.08215	5.2
329.06647	12.0
335.07687	15.6
347.07706	9.2
353.08713	4.9
365.08780	10.4
383.09790	10.1
401.10870	4.1
415.18686	2.3
433.09015	2.1
433.16858	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	433.1136
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03445	4.4
68.99799	0.7
69.03407	0.4
70.06429	1.4
71.05000	27.6
73.02906	0.3
75.04467	0.9
83.05017	0.6
85.02915	26.9
87.04465	0.8
91.05498	0.4
93.07053	0.3
107.04950	0.6
111.00816	0.9
111.04443	0.3
113.31155	0.3
119.08562	0.3
121.02881	2.6
126.78200	0.3
129.05489	7.6
131.95369	0.3
133.02824	0.3
135.04454	0.3
137.02309	0.8
146.25591	0.3
147.04391	0.7
147.06546	1.3
153.01828	3.5
165.01874	1.9
183.02907	0.4
185.06038	0.7
187.12363	0.6
197.06012	0.4
213.05537	1.2
215.11835	0.4
231.06503	0.5
241.05098	0.8
258.05310	1.1
261.12421	0.8
287.05527	100.0
288.05719	0.8
329.06705	0.4
433.25693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1135
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
50.76468	0.1
65.03938	0.1
67.01868	0.3
68.99801	0.3
69.27135	1.1
81.03395	0.1
85.02901	0.2
91.05489	0.4
93.34251	0.1
104.61375	0.1
119.04947	2.1
121.02881	1.1
126.19653	0.1
145.02826	0.8
149.02403	0.3
153.01840	4.9
163.03946	0.7
165.01826	1.2
167.03406	0.2
171.02911	0.3
177.01813	0.2
177.05539	0.1
182.35765	0.1
183.02985	0.2
187.03917	0.2
203.07080	0.2
225.05530	0.3
229.04996	0.4
243.06554	0.3
255.06563	0.1
256.07175	0.2
267.06543	0.7
270.05167	0.2
271.06021	100.0
272.06345	1.8
281.08127	0.5
283.06024	7.8
284.06848	1.3
295.06003	1.0
295.09222	0.2
297.07507	0.5
305.08240	0.2
307.06177	0.2
308.06741	0.3
309.04074	0.2
309.07587	1.3
313.07065	6.1
321.07635	0.2
323.09134	1.6
333.07452	0.4
337.07062	2.6
349.07086	0.8
351.08551	0.3
361.07037	0.4
367.08084	2.0
379.08102	1.3
397.09189	1.8
415.10266	1.5
433.11276	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	433.1132
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
68.99804	0.2
69.04549	0.1
70.06577	0.2
71.17800	0.2
72.08154	0.1
85.02901	0.2
91.12592	0.2
93.07028	0.2
109.02878	0.2
121.02850	0.3
136.09039	0.2
137.02359	1.9
137.03328	0.2
149.02335	0.4
157.06476	0.4
158.13094	0.1
161.05930	0.3
165.01860	0.3
171.04480	0.2
175.03905	0.4
175.07578	0.2
185.06000	0.7
189.05450	0.3
195.04436	0.2
213.05403	2.1
216.04073	0.2
217.05003	0.2
231.06516	0.6
241.04826	0.9
242.05852	0.2
259.06000	0.2
269.04459	0.5
287.05502	100.0
288.05835	1.2
355.97580	0.2
433.11316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
53.03918	0.4
55.01854	0.9
57.03414	0.6
61.02915	0.4
68.99784	1.0
69.03402	0.4
69.30135	1.6
69.30552	1.2
73.66591	0.4
79.01868	0.5
81.03388	1.2
85.02901	1.9
91.05447	1.1
93.03387	0.7
97.02860	0.8
102.52012	0.3
103.03911	0.5
107.04919	0.5
109.02844	0.9
117.45227	0.3
119.04956	4.0
121.02882	11.3
121.03768	0.4
123.00764	1.0
137.02335	0.6
141.01839	1.1
145.02855	3.3
147.04411	1.0
149.02342	2.1
159.04353	0.4
163.03934	3.6
165.01848	17.5
167.03456	2.3
177.01851	1.9
177.05495	0.7
179.03397	0.6
181.04959	0.4
183.02892	2.7
187.03905	2.1
189.01828	1.1
190.99753	0.6
191.03384	1.4
195.02948	1.7
203.03238	0.4
205.04967	1.0
213.05470	0.9
215.03384	1.0
229.05022	1.4
231.02872	0.5
233.04495	0.7
239.07086	1.3
242.05762	0.8
243.02890	1.4
255.06566	1.8
256.07224	2.0
261.03912	0.5
267.06543	7.7
269.04324	0.5
270.05264	3.0
271.06036	6.5
279.06616	1.9
280.07266	0.6
281.08121	7.1
281.11005	0.7
283.06024	100.0
284.06808	13.5
285.07523	0.9
293.08115	0.5
295.06027	11.3
295.09616	2.5
297.04233	0.7
297.07510	5.1
305.08051	2.5
307.06003	2.5
308.06842	2.2
309.04016	1.7
309.07541	20.0
311.05518	1.6
311.08823	0.5
313.07068	69.8
320.06580	0.5
321.07614	2.7
323.05777	0.9
323.09146	17.1
325.07141	0.9
333.07614	3.5
335.05566	0.8
337.07071	38.3
343.08206	1.0
349.07077	9.3
351.08524	2.7
361.07059	8.6
367.08145	26.8
379.08157	22.5
380.08249	0.4
397.09210	26.3
415.05829	0.3
415.10254	21.0
433.11353	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1133
Annotation	Luteolin 3'-methyl ether 7-xyloside
Peak:m/z	Relative Intensity
58.36748	0.7
64.48057	0.7
66.14724	0.7
66.95484	0.8
68.99792	1.5
69.24519	1.9
69.24937	5.3
81.03414	1.1
85.02908	1.6
91.05464	1.3
93.03412	0.8
105.63904	0.7
109.02911	1.2
110.52068	0.7
118.59521	0.7
119.04945	3.5
119.05735	0.9
121.02870	10.0
125.00517	0.8
145.02884	3.4
149.02382	2.2
163.03937	3.0
165.01846	14.4
167.03397	2.2
177.01872	1.4
183.02913	2.8
187.03972	2.4
187.59909	0.8
191.03629	0.8
211.07385	1.2
215.03166	0.8
229.04857	1.3
239.07213	0.9
243.02905	1.7
255.06467	1.6
256.07349	2.3
259.06097	1.0
267.06552	6.2
270.05209	2.9
271.06052	6.8
279.06558	1.4
281.08145	6.8
283.06033	100.0
284.06760	16.8
285.07465	1.0
293.08130	1.2
295.06070	13.3
295.09454	2.2
297.07480	5.9
305.08154	1.9
307.05994	2.4
308.06839	2.9
309.04187	1.7
309.07541	18.6
311.05710	1.1
313.07083	76.7
314.07443	1.5
321.07547	2.8
323.05551	2.0
323.09149	17.2
325.07068	1.9
333.07529	4.5
335.05713	1.0
337.07086	37.4
341.73334	0.9
349.07083	11.5
351.08643	4.6
361.07166	8.1
367.08154	23.6
379.08160	19.0
397.09225	21.8
415.04877	1.6
415.10251	22.2
433.11356	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	432.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
55.05510	15.6
57.03408	4.2
58.06593	3.4
67.05507	49.3
67.22640	3.5
69.07054	11.9
70.86132	8.6
71.80190	3.7
72.08160	34.7
77.29343	3.6
79.05500	33.2
81.07066	37.1
83.08617	8.6
87.72639	4.4
89.06088	3.8
90.70925	4.1
91.05496	34.7
93.07045	51.4
95.04970	9.6
95.08595	24.4
97.19715	3.7
105.07035	40.3
107.05025	3.9
107.08591	42.2
109.06558	8.1
109.10172	58.7
110.91546	4.1
113.00039	4.8
117.07014	11.3
119.08595	39.4
121.06501	6.7
121.10143	24.1
123.11721	6.0
129.06989	5.6
131.08591	20.5
133.06470	7.3
133.10130	24.0
135.08064	10.6
135.11714	42.0
137.09605	10.5
139.09959	5.5
141.06967	4.7
143.08568	7.5
145.10146	18.0
147.11687	8.5
151.07480	9.1
155.08557	8.1
157.10130	5.4
159.11734	4.7
161.05965	3.9
161.13243	4.7
169.02609	4.3
169.10124	10.1
171.11699	6.8
173.13272	11.5
175.14848	9.2
183.11708	6.0
185.13284	6.3
189.12814	6.0
190.93604	3.5
191.14354	3.7
199.14842	4.3
206.15498	8.8
211.14851	5.6
222.14911	9.6
229.15961	3.9
246.18343	4.5
262.18008	10.6
307.20651	6.2
325.21545	4.6
366.28250	4.3
378.27890	20.8
384.28946	51.7
396.29028	62.9
402.30093	18.3
414.30017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.05504	0.8
57.03432	1.0
57.07066	0.6
61.13284	0.4
65.03938	0.4
67.05505	2.8
68.05856	0.6
69.03398	0.5
69.07062	0.7
71.09505	0.7
78.04683	0.5
79.05505	2.5
80.05836	0.4
81.07062	2.6
82.07370	0.5
91.05487	7.3
93.07022	0.7
95.04955	0.8
95.08619	1.6
95.33500	0.4
96.08955	0.6
105.03424	0.6
105.07027	0.6
105.70273	0.4
106.06558	9.4
107.08614	0.9
109.06512	0.9
109.10204	0.5
113.00021	19.8
114.00363	0.9
115.30512	0.4
116.04983	6.4
117.07005	0.5
119.06127	0.7
119.08570	1.8
120.04508	0.6
123.11699	0.6
124.05194	0.5
132.04492	0.6
133.10100	0.6
134.06024	100.0
135.06346	0.7
135.08014	0.6
143.07362	0.5
144.08109	5.6
147.11673	0.5
157.07681	0.6
158.09645	4.0
160.07587	0.4
168.08069	3.0
169.02629	17.8
169.08977	0.6
170.02971	4.0
170.09633	0.5
175.08687	0.5
182.09691	1.3
184.11258	0.7
246.23041	1.0
258.18338	0.4
258.22375	0.7
264.15201	0.4
264.24042	1.2
268.20621	20.6
269.20975	0.5
270.22180	43.9
271.22388	0.6
282.22119	0.5
299.24887	1.3
325.22806	1.0
355.43585	0.4
368.74371	0.4
414.29111	1.6
432.30176	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	432.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
53.61378	1.6
55.01867	3.3
55.05510	15.9
55.14796	1.6
57.03430	3.0
65.03941	1.8
67.05506	18.5
69.03436	12.9
69.07079	13.4
70.28538	4.6
72.08157	33.6
72.86474	2.0
77.03964	2.2
79.05496	57.2
81.03396	2.1
81.07059	36.3
83.04988	8.6
91.05481	32.0
93.07050	100.0
95.04982	12.4
95.08611	16.3
96.55858	2.0
97.06532	5.1
98.21458	1.7
105.04546	2.3
105.07041	27.2
107.04958	5.9
107.08601	50.2
109.06528	15.9
109.10168	16.9
111.04459	2.0
115.05510	2.4
117.07046	10.6
119.04905	2.1
119.08578	20.1
121.06481	2.6
121.10144	11.1
123.11737	3.8
125.05994	2.3
128.06169	2.0
129.07005	2.5
131.08582	10.5
133.10135	12.9
135.08083	3.0
135.11696	82.8
137.05989	5.5
139.09981	2.1
142.07906	2.6
143.08574	5.2
145.10153	12.9
146.75859	2.1
147.11694	6.9
149.13185	2.3
157.10196	2.6
159.11696	7.2
161.13268	2.5
161.45374	1.6
163.11235	2.8
169.10071	2.1
171.11746	2.9
173.09744	1.7
173.13264	3.9
182.11763	5.6
183.11795	2.4
189.16348	2.2
191.14319	1.9
196.13347	18.9
201.16466	3.4
208.13319	25.5
213.16397	1.8
219.17458	4.8
262.18063	6.5
414.29999	19.2
428.23959	2.1
432.21729	2.3
432.31448	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	432.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
62.10517	1.0
67.05518	1.8
69.86270	5.9
70.06571	1.7
72.08176	1.3
85.02915	3.1
85.06546	2.1
91.05476	4.4
97.02887	1.6
104.60577	1.0
105.07037	2.1
116.07100	1.9
117.07027	2.8
119.08578	3.4
121.02899	2.0
129.07037	3.9
131.04967	2.2
131.08600	7.7
133.06532	3.5
133.42293	1.2
143.08606	1.4
145.02719	1.2
145.06499	31.0
145.07654	1.6
145.10159	3.9
147.08057	100.0
155.08565	12.6
157.06519	4.2
158.07294	2.8
159.08092	9.5
164.07072	2.2
171.11711	1.1
173.09631	19.2
183.11615	1.3
191.10678	40.7
199.11192	4.5
201.12737	25.8
217.12248	10.3
219.13811	45.6
227.64394	1.2
235.13298	4.4
266.10382	1.9
270.20731	1.7
283.05988	8.4
284.06677	2.3
309.07446	1.6
313.07074	8.8
315.16162	1.4
337.07007	2.6
343.15378	1.8
367.07919	1.9
379.07935	2.0
397.09189	1.7
397.18594	5.9
415.10175	1.7
432.22916	6.3
433.11227	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	432.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58991	2.1
53.03943	3.4
55.05516	13.9
57.07074	4.1
58.99607	2.4
65.34190	1.6
65.89743	1.6
67.05507	47.2
69.07076	17.9
69.16371	5.5
69.16775	14.4
71.04987	5.3
74.00676	3.2
76.02206	4.6
79.05497	55.4
81.03458	1.9
81.07064	53.3
83.04984	7.0
83.08625	5.5
84.41126	1.8
85.02927	1.9
85.06538	3.7
86.99039	2.3
87.02711	2.2
88.04017	2.3
91.05487	56.0
93.07052	72.7
95.04996	4.6
95.08611	39.5
97.01140	3.0
97.06544	7.6
97.10159	3.7
98.20794	4.6
103.05472	1.8
105.00137	2.7
105.07034	58.2
107.04969	2.4
107.08601	38.9
109.06533	3.8
109.10155	19.5
111.02657	2.3
111.04430	2.5
111.11790	1.9
117.07031	17.3
119.04932	2.6
119.08593	50.6
121.06493	3.5
121.10155	22.3
122.02718	12.3
123.08068	3.9
123.11733	7.0
125.04176	2.3
125.06010	7.3
129.05528	2.8
129.07027	5.7
131.08588	28.9
133.10135	32.6
135.08069	2.6
135.11687	40.1
137.04221	3.4
137.09630	3.3
137.13269	5.2
139.07558	5.5
141.07037	5.3
143.07063	4.2
143.08586	7.8
145.10121	25.2
147.11702	31.3
149.09633	4.5
149.13264	18.9
155.08521	2.9
157.10155	4.6
159.11717	18.8
161.09682	3.4
161.13261	24.9
163.14848	3.3
165.07327	1.9
169.10143	7.1
171.11707	7.6
173.09702	3.2
173.13306	11.7
175.14848	9.1
177.12773	1.9
179.10660	1.8
183.11710	7.0
187.11218	6.5
187.14735	4.6
189.16423	5.4
191.17953	2.9
197.13286	2.7
201.12770	3.6
205.12238	4.4
211.14870	3.5
213.16441	5.8
215.17989	29.8
222.14786	2.4
229.19553	8.6
231.21101	18.9
233.18973	4.3
239.17987	10.6
247.20459	2.8
249.22186	7.9
251.19936	4.1
257.18976	14.8
263.18314	2.5
273.18478	2.3
275.20068	58.0
291.19449	2.9
293.21115	100.0
307.17291	5.6
311.22165	8.1
325.18268	9.8
362.96930	2.6
397.20297	13.2
414.23093	38.6
415.21613	6.4
432.24207	56.1
449.57101	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	431.2798
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
54.40503	0.8
57.03194	0.8
59.68205	0.8
60.91359	0.8
67.05518	0.8
69.07077	20.8
70.69635	2.1
79.05496	1.3
81.07054	2.6
83.01334	4.7
91.05479	0.8
93.07051	4.0
95.08604	1.8
105.07073	1.2
107.08617	4.1
109.02914	1.3
109.06490	2.2
109.10146	1.6
119.08562	1.9
120.93194	0.9
121.06521	2.4
121.10151	1.4
123.11708	10.4
131.08571	2.8
133.06482	0.9
133.10170	1.0
135.08084	5.5
135.11714	7.6
137.05998	4.0
149.06006	0.8
149.09631	4.6
153.05486	3.1
159.08040	5.2
161.05844	0.9
162.06737	6.1
163.07556	8.6
165.05490	71.7
177.09106	17.3
187.07538	5.8
190.06277	1.2
193.08621	0.9
203.07069	1.4
205.08618	75.2
211.09619	2.0
219.10294	1.0
221.08472	1.5
221.11752	34.2
223.09673	100.0
224.09961	0.9
231.10049	0.9
242.99817	0.9
269.15366	0.9
287.16437	32.3
291.15952	7.5
305.17688	3.8
325.21927	0.9
327.19611	1.8
343.18970	1.4
343.22726	2.7
345.20639	29.9
357.20505	3.5
363.21655	1.6
373.14517	1.0
401.17947	1.4
403.19107	2.0
413.26959	1.3
415.15714	1.4
416.16031	2.2
423.15811	0.9
431.18484	24.4
432.18961	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03941	1.3
55.01876	0.5
57.03437	0.5
58.06605	0.7
61.04042	0.3
65.03932	0.8
69.03438	2.9
70.06597	0.7
70.76852	0.5
71.04991	0.5
73.02927	0.4
73.99674	0.3
77.02681	0.3
78.03460	5.9
79.05504	0.3
80.05024	0.8
81.02998	0.2
81.03427	6.1
85.02911	2.9
91.05492	7.6
91.30136	0.3
93.07039	0.8
95.04980	1.7
96.04504	1.3
97.02908	2.0
99.04471	1.6
103.05479	0.3
104.94206	0.3
106.02928	20.6
107.08617	0.6
109.02893	3.5
109.06509	0.4
109.64362	0.3
116.07117	0.5
119.04958	23.7
120.05235	0.3
121.06522	9.6
123.03577	0.4
123.04446	5.6
123.08060	0.3
124.03969	33.9
124.73949	0.3
127.03948	2.2
131.08551	0.3
132.81433	0.3
139.71083	0.3
147.04425	100.0
148.04787	0.8
149.09605	0.3
151.07587	0.5
157.80687	0.3
159.55832	0.3
159.57181	0.3
165.05481	1.8
166.05032	2.0
167.10753	0.5
184.94081	0.3
196.06134	0.3
221.00252	0.3
225.14871	1.7
231.06651	0.4
250.07120	7.4
250.09500	0.5
268.08182	22.4
311.88229	0.3
327.28238	0.3
388.14154	0.7
396.10782	0.4
414.11978	5.1
432.12988	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	432.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.9
56.05048	6.8
57.03443	1.6
58.06609	3.7
63.44965	0.7
69.03414	1.4
70.06596	2.8
70.16665	1.8
70.17051	1.2
71.05000	1.1
72.08148	1.2
74.06087	100.0
81.03418	3.6
82.67065	0.6
84.04511	3.8
84.08169	1.3
85.02927	3.7
86.06080	1.1
86.09718	2.0
97.02908	2.7
98.06069	9.3
99.04481	0.9
102.05538	6.2
106.02950	1.6
107.04977	0.8
109.02912	6.0
114.05520	1.4
116.07102	50.0
118.08765	0.7
120.06594	16.7
123.04437	0.8
124.03997	3.1
127.03940	6.3
130.06552	0.6
139.03973	1.7
144.06575	57.6
144.43246	0.9
145.04979	2.2
151.03961	0.7
153.05527	1.6
161.05965	0.7
162.07631	10.3
163.04004	1.2
167.07098	0.7
185.13943	0.7
186.07605	0.8
189.05618	1.0
204.08783	1.7
212.26006	0.7
213.06694	2.7
216.92012	0.7
217.05023	3.4
228.08736	2.0
233.86641	0.6
235.06119	1.8
240.08742	1.8
241.06070	3.9
246.09769	5.2
247.13457	0.7
250.07179	0.8
252.08932	0.7
264.10843	3.4
268.08279	2.8
270.09900	10.2
270.12152	0.9
288.10767	7.7
306.11929	2.8
329.14487	0.8
388.22247	1.1
432.16388	2.0
446.64420	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88359	0.4
57.03423	1.6
57.48888	0.5
57.70385	0.4
58.06599	1.3
61.02924	1.8
69.03431	3.8
70.06588	1.4
71.01372	0.8
71.05013	0.8
71.52197	0.9
75.04462	1.0
81.03426	0.8
84.08154	0.8
85.02903	0.7
86.09696	0.6
91.04902	0.4
91.05487	0.5
97.02827	0.6
99.04465	1.5
109.02846	0.6
120.08108	1.1
122.72144	0.5
128.07059	0.5
129.14499	0.4
137.06004	0.9
141.05453	0.5
144.41840	0.4
145.07620	0.6
147.09241	0.6
153.05489	5.5
154.05862	3.7
158.97432	0.6
159.09187	2.2
160.09975	20.0
161.10770	4.6
163.03918	1.1
168.07379	0.6
173.10760	9.7
174.11452	1.4
175.05106	0.4
175.08701	0.8
177.05534	0.5
178.05937	0.5
179.19778	0.5
185.10823	1.4
187.08675	2.4
187.12239	0.6
188.06993	1.0
189.10246	57.8
190.10713	0.8
197.10788	1.0
201.10295	1.4
203.11832	0.9
205.09770	0.8
208.99001	0.6
213.10280	0.8
215.11879	1.4
219.01906	0.5
219.11299	5.4
225.10309	1.3
227.00145	0.5
231.11412	1.1
234.99200	0.5
238.08063	0.6
243.11302	2.0
261.12390	1.4
268.11847	3.5
269.12152	7.4
279.13516	1.6
297.14401	0.6
307.16528	2.0
321.14468	1.4
323.16043	59.6
324.16428	1.0
349.17639	1.5
353.17105	13.1
365.17163	0.6
367.18677	0.9
371.04297	2.9
377.17169	2.0
395.18378	1.1
413.19260	14.9
431.20328	100.0
432.20691	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40020	2.0
67.05501	3.1
69.16354	17.0
79.05505	2.2
81.07046	4.2
91.05479	2.4
93.07050	3.0
95.04955	2.0
98.20788	3.8
103.95676	1.8
105.07036	4.3
107.08646	3.2
123.76392	1.9
131.04962	2.1
135.04364	2.9
135.08084	2.8
145.06483	7.1
148.05161	3.0
150.06773	2.5
151.03917	2.8
163.07564	15.7
165.09137	7.0
167.07063	2.9
176.04709	2.7
181.08595	5.0
191.07050	100.0
300.82629	1.8
309.92786	1.9
386.19641	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55990	0.2
53.03949	0.4
57.03425	0.3
61.47836	0.2
65.03934	0.2
67.05488	0.3
68.99798	1.6
69.03439	1.1
69.03721	0.2
69.37190	1.4
78.30534	0.2
79.05483	0.6
81.03426	2.0
81.07059	1.5
85.02916	1.3
87.00840	0.5
91.05493	1.5
95.04983	1.4
97.02905	0.4
97.06552	0.4
99.04478	1.0
105.01832	0.2
107.04961	0.3
109.02877	0.8
109.06540	2.4
113.06013	0.3
118.46653	0.2
119.04956	1.8
123.04414	1.4
127.03931	1.3
137.05989	13.8
141.05476	8.9
145.04953	0.6
150.03148	0.5
159.02876	0.4
165.05489	27.1
166.05820	0.3
166.22809	0.2
175.73895	0.2
183.06544	100.0
184.06870	1.2
231.04758	0.4
456.37811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	4.3
66.50656	1.2
70.06578	1.6
72.96062	2.0
74.40284	1.0
82.06586	1.3
84.08148	84.6
84.96010	1.4
93.09345	1.2
98.97568	1.3
110.97579	2.0
116.07056	1.5
124.48832	1.4
130.08633	4.3
138.02217	2.3
143.77522	1.2
144.98090	1.2
168.03487	2.6
168.05074	9.9
170.06636	38.8
186.04381	32.5
186.06125	12.4
188.07701	100.0
189.07872	2.0
204.05449	19.5
206.08745	16.8
208.53673	1.3
212.07719	8.1
214.09227	6.3
222.06488	3.9
224.07692	13.6
226.09264	21.5
232.03421	1.7
232.10289	2.9
240.05449	8.1
242.08760	49.5
243.08951	1.5
244.10318	4.7
254.08838	5.7
256.10312	1.5
258.06500	3.5
260.09833	96.2
261.09949	2.4
272.09747	1.9
278.10941	4.1
279.11850	1.3
283.11560	1.9
284.04440	15.8
284.09705	6.4
294.24002	1.3
299.14505	6.8
302.02277	2.0
302.05591	25.9
302.10846	55.3
320.06577	10.8
320.11929	63.1
321.12027	2.5
343.13651	1.4
372.75851	1.2
413.17679	4.2
431.18713	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	431.0979
Annotation	Derhamnosylmaysin
Peak:m/z	Relative Intensity
53.03933	0.2
55.01617	0.1
55.01872	1.0
57.03435	0.7
61.02916	0.3
62.65816	0.1
65.03931	0.1
67.01871	0.1
67.05499	0.2
68.99777	0.9
69.00113	0.1
69.03439	0.5
70.06583	0.3
71.01350	0.1
71.52141	0.1
72.08149	0.3
73.02908	0.2
79.01851	0.1
79.05472	0.4
81.03415	0.9
83.01337	0.2
84.04513	0.1
84.08150	0.2
85.02909	1.5
86.09715	1.3
89.03920	0.2
91.05498	0.7
92.99748	0.3
93.03413	0.2
95.04952	0.6
97.02920	0.7
99.00806	0.1
99.04400	0.1
103.03941	0.2
103.05474	0.2
105.03388	0.1
105.07035	0.1
107.04951	0.6
109.02887	1.1
109.16427	0.1
111.04432	0.1
115.05484	0.1
117.03384	0.2
119.04948	0.5
121.02884	1.0
123.00786	0.7
123.04418	0.2
123.60512	0.1
127.03905	0.2
129.03308	0.1
131.04964	0.5
133.02823	0.2
135.04428	3.3
135.11752	0.1
137.02348	6.5
137.03383	0.4
141.01843	1.7
145.02875	0.7
145.06436	0.2
147.04416	0.7
149.02348	0.8
153.01859	0.5
159.04416	0.6
161.02336	2.6
163.00261	0.4
163.03914	4.2
164.07057	1.4
165.01842	17.8
165.07394	0.9
167.03424	0.5
169.02820	0.2
171.04408	0.3
173.02367	0.3
173.06004	0.1
175.03876	0.6
176.01050	0.1
177.01828	0.6
177.05458	0.6
177.06847	0.1
178.99716	0.2
179.03426	1.4
181.04973	1.3
183.02902	4.6
187.03903	1.7
189.01817	1.1
190.02571	0.3
190.99759	0.4
191.03410	2.4
195.02921	0.2
195.08089	0.1
197.02454	0.2
199.03941	0.2
201.12340	0.1
203.03419	1.2
205.01273	0.1
205.04938	1.4
205.06654	0.1
206.08250	0.1
206.75128	0.1
207.02927	0.4
209.00804	0.2
209.04462	0.5
213.05524	0.1
215.03403	1.0
217.04959	0.1
221.04494	0.3
223.07678	0.1
229.04961	0.2
229.11873	0.1
231.02956	0.5
233.04353	0.8
237.05438	0.1
243.02934	1.3
245.04515	0.4
245.12892	0.1
247.02448	0.2
249.03880	0.2
251.07111	0.2
254.05806	0.1
255.06535	0.5
257.04413	0.1
258.05270	0.4
261.03879	0.7
265.08682	0.1
268.07437	0.1
269.08084	0.4
271.06042	0.4
271.52133	0.1
272.06949	0.1
275.07108	0.1
279.06549	0.4
282.05151	0.2
283.06030	3.2
284.06644	0.2
285.03918	0.2
286.04761	1.2
287.05508	6.9
289.03421	0.1
293.08127	0.3
295.06006	2.1
295.09366	0.1
296.06763	0.4
297.04166	0.4
297.07574	11.5
298.07834	0.2
299.05505	100.0
300.05991	2.5
301.06757	0.1
305.08075	0.2
307.05966	0.6
308.06567	0.1
309.07660	0.9
310.04630	0.9
311.05502	8.2
311.09155	2.6
312.06158	0.2
312.09567	0.1
313.03433	0.8
313.07092	3.5
321.07590	3.0
323.05536	2.7
324.06268	2.3
325.03583	1.9
325.07053	31.6
326.07401	0.7
327.05032	1.2
327.08633	0.2
329.06564	3.3
329.10474	0.2
333.07559	0.1
335.05466	0.1
336.06348	0.3
337.07043	3.2
338.07449	0.2
339.05151	0.8
339.08640	15.9
340.08981	0.2
341.06421	0.5
349.07053	4.4
351.04977	0.9
351.08783	0.2
353.06567	47.6
354.06927	0.7
365.06580	12.3
366.06763	0.3
367.08109	2.7
371.07813	0.4
377.06580	10.4
378.06848	0.3
383.07623	23.3
384.07877	0.5
395.07632	20.4
396.07971	0.4
413.08676	21.0
414.08963	0.4
416.20078	0.2
431.09766	23.0
431.22333	2.7
432.10220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	2.4
57.41079	0.9
59.22514	0.8
67.05497	2.9
69.07070	1.3
69.51804	6.0
71.08613	2.0
73.41338	0.9
74.44811	1.0
81.07043	1.5
91.05486	1.2
93.07075	1.1
93.62501	0.8
95.08618	1.5
98.20782	1.7
103.48677	0.8
104.26402	0.8
109.10172	3.8
119.08550	1.6
121.06522	9.0
135.08086	1.6
136.08876	11.2
137.08646	1.3
137.09637	12.3
142.65675	0.9
149.09630	3.1
152.08493	1.3
162.56364	0.9
163.11188	1.8
164.08359	33.4
164.11482	1.4
165.09134	100.0
166.09444	7.0
177.09093	2.4
178.09631	1.2
191.10704	2.1
205.12331	7.4
206.12633	1.2
219.13759	1.6
233.43330	1.1
311.12289	0.9
430.38058	77.8
431.38382	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	430.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
58.06586	0.4
59.04991	0.5
62.70623	0.3
66.06620	0.2
68.05817	0.3
69.03431	0.6
70.06593	2.3
71.04995	1.6
71.37868	0.4
71.38229	0.3
72.08170	1.6
72.47554	0.3
75.75560	0.2
81.03387	0.3
84.04502	0.5
84.08147	0.4
85.02901	1.1
86.09710	2.8
91.05549	0.2
95.04987	0.5
97.02908	0.5
99.04518	0.4
107.04943	0.6
108.05740	0.5
114.05536	0.3
116.07108	1.9
117.07027	0.6
120.05726	1.1
121.06502	1.8
124.03947	0.9
127.03928	1.0
129.07008	0.4
130.07767	0.3
131.04915	1.2
132.05791	0.3
133.06485	1.2
135.06824	0.8
135.08011	0.4
136.07582	7.7
136.08566	0.5
136.87372	0.2
145.04924	0.4
145.06496	5.7
146.07271	4.1
147.04379	1.8
147.08037	0.6
149.08423	0.3
149.66754	0.3
150.09148	2.0
155.08527	0.4
157.06560	0.4
158.07272	1.2
163.07552	4.1
164.07080	94.0
165.07713	0.6
173.05972	1.2
173.09650	0.7
176.07022	0.4
176.08383	0.6
177.05455	0.3
178.08633	3.0
178.09906	0.4
183.08109	0.8
189.09106	0.6
191.10693	0.9
201.09175	1.9
206.08119	3.1
216.11526	1.7
234.12463	2.7
252.13589	1.1
268.08206	1.0
384.17929	0.3
397.19016	2.2
412.21146	0.4
415.19907	3.2
430.22281	100.0
431.22672	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98425	0.2
54.10175	0.2
55.05512	0.3
57.03421	0.3
67.05499	0.4
69.07069	0.3
69.62370	1.1
71.57501	0.2
79.05484	0.3
81.07049	0.9
83.04987	0.2
91.05486	0.5
93.07053	0.4
95.08618	0.7
96.07034	0.2
105.07027	0.4
107.08578	0.4
109.10131	0.3
113.00022	3.9
118.06540	1.0
119.08582	1.1
123.11706	0.2
129.69635	0.2
131.08553	0.4
131.42529	0.2
132.08099	2.8
133.10100	0.4
134.06033	0.7
137.13373	0.2
139.04153	0.3
144.08104	1.2
145.10109	0.2
146.09641	0.3
148.07602	0.4
158.09677	0.3
160.07622	0.4
169.02635	3.7
169.10147	0.4
170.09624	0.3
172.11224	0.2
184.11266	0.3
185.08429	0.8
195.93135	0.2
196.12485	0.2
200.10709	3.2
201.16403	0.3
212.14313	0.4
213.15169	0.6
216.13919	0.2
228.13911	1.0
228.17456	1.0
256.16974	100.0
257.17294	1.2
263.23682	0.3
412.27548	0.7
430.28522	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	430.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37012	0.3
51.75329	0.3
56.57629	0.3
57.64624	0.3
58.42592	0.3
59.04983	0.4
69.03426	0.4
70.06602	1.7
70.48830	0.8
71.05000	1.0
72.08142	1.2
81.03423	0.4
84.08148	1.0
85.02901	0.9
86.09708	3.4
91.05486	1.7
92.41470	0.3
96.04488	0.4
107.05020	0.3
114.05531	0.7
115.04121	0.3
117.07027	0.6
120.05766	0.6
120.08131	0.4
121.06516	1.2
126.05191	0.3
129.06969	0.5
130.22169	0.3
131.04933	1.0
133.06526	1.5
134.07224	0.4
135.06833	1.6
136.07594	6.5
145.06494	6.8
145.07646	0.4
146.07274	3.6
147.04425	0.5
148.07573	0.5
149.08360	1.4
150.09169	3.8
154.05005	0.4
155.08662	0.3
157.06476	0.3
158.07271	1.5
159.07999	0.4
161.06039	0.7
163.07547	2.3
164.07082	65.7
165.07715	1.1
173.05981	1.2
173.09607	0.4
176.07063	2.4
176.08376	0.5
178.08641	3.6
183.08073	0.9
191.07150	0.3
191.08539	1.6
201.09125	0.9
204.11420	0.4
206.08160	5.9
216.11496	1.1
219.08060	1.5
234.12555	0.9
251.10690	1.9
266.11670	0.6
268.13367	1.1
307.12122	0.6
319.10870	0.3
325.03781	0.7
368.18649	0.4
379.17865	0.5
384.18124	0.6
397.18887	11.7
415.19925	18.0
430.22299	100.0
431.22726	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71600	1.0
51.41448	1.1
53.03952	2.4
55.01866	2.2
55.05504	1.8
57.03439	2.4
57.07084	46.6
57.67043	1.0
61.02933	1.6
67.05497	3.3
69.03444	13.3
69.07078	5.8
70.06578	2.2
70.82444	2.1
70.82786	1.8
71.04988	2.1
79.05489	3.7
81.02996	1.4
81.03429	19.4
81.07051	3.4
84.08167	1.4
85.02448	2.1
85.02916	29.5
85.06554	9.7
86.09723	1.7
91.03957	1.4
91.05483	5.3
93.07056	2.2
95.08584	1.5
95.83801	1.2
97.02909	21.2
97.06547	7.5
99.04452	4.8
102.34016	1.2
103.07583	3.5
105.01882	1.2
105.07014	3.6
105.88428	1.1
107.08585	1.6
109.02882	16.7
109.06494	1.5
117.07023	1.3
119.04935	2.8
119.08543	1.1
123.04467	2.8
127.03931	20.1
129.06947	1.1
131.08588	1.9
133.10147	1.2
135.04401	1.8
136.31960	1.0
137.06001	21.0
145.04973	12.9
145.10138	3.0
149.64085	1.1
152.14314	2.3
159.08015	1.4
159.11713	1.6
160.05127	1.4
163.11176	1.2
165.05495	4.2
173.05934	1.3
187.11198	1.1
191.07053	21.1
207.03113	1.1
215.10770	6.4
229.08485	2.3
229.10732	37.6
233.11754	100.0
237.16061	1.3
247.11789	27.4
251.12857	7.4
257.08066	1.4
314.68970	1.2
359.14877	2.2
403.95236	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
56.05014	1.1
57.03449	6.2
58.06598	1.4
59.05007	30.1
61.02922	0.8
67.23339	0.6
67.31054	0.6
69.03086	1.1
69.03436	20.4
70.06586	2.2
71.05008	1.3
71.52110	0.6
71.52515	1.1
72.08165	3.3
72.11156	0.6
81.03400	2.0
82.06581	1.5
84.04520	1.3
84.07686	0.6
84.08145	3.8
85.02912	16.3
86.09715	2.8
87.04476	52.1
88.07617	0.9
89.03925	0.7
97.02898	17.3
99.04472	1.1
101.06014	1.3
105.05508	1.5
106.08677	11.4
107.04987	0.7
109.02863	1.1
109.06509	2.0
110.03965	0.6
115.03941	20.7
117.03413	0.8
117.16286	0.6
119.07068	100.0
121.02860	1.1
123.04433	1.2
125.02342	0.7
127.03906	2.3
128.07085	4.2
129.05476	0.9
129.07182	0.8
129.10246	2.3
130.04979	1.0
133.04984	22.2
135.04416	1.7
137.06006	1.3
139.03961	0.9
143.11758	0.8
145.02869	2.3
145.04994	2.6
147.04443	4.2
147.07658	1.9
150.07622	2.3
151.07584	1.2
153.05469	6.5
153.83611	0.6
163.03929	22.6
164.10672	0.9
165.05533	1.5
167.07098	1.0
171.11342	0.9
174.06787	1.0
177.05502	0.8
179.07019	1.4
181.04906	0.6
188.09198	1.3
189.09116	4.8
190.09914	0.7
206.11827	1.5
207.10219	1.6
222.11349	2.0
250.10754	1.2
259.08179	1.0
260.16116	1.4
268.09174	1.2
268.11853	30.6
277.09229	1.1
315.13480	0.7
430.17004	8.1
436.26682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82283	2.0
51.69487	1.9
53.03951	4.2
55.01881	5.3
55.05510	8.8
57.03450	1.9
58.06600	9.7
65.03966	3.0
67.05504	8.5
68.05035	13.2
69.03444	7.3
69.07071	54.0
70.06598	8.3
71.05006	5.8
71.53085	3.3
72.08161	3.3
73.06586	2.7
79.05504	20.4
80.05036	12.5
81.03436	3.8
81.07073	16.4
83.04983	35.8
84.08174	3.8
85.02900	2.2
86.09719	4.2
91.05476	25.3
93.07054	17.5
95.04984	9.7
95.08622	4.7
97.06540	88.8
98.06080	6.2
99.04462	35.8
100.07604	9.2
103.05505	3.5
105.07036	44.1
105.07684	3.1
107.04974	6.2
107.08605	20.1
109.02888	2.3
109.06517	10.7
109.10217	1.7
114.05543	6.7
115.07584	6.5
116.07140	3.5
117.07027	12.5
119.04955	4.8
119.08602	9.3
121.06512	39.0
121.10130	3.4
124.03964	3.8
125.06002	76.8
126.05538	9.9
128.06227	2.9
128.07057	4.1
129.07018	7.7
130.07832	6.6
131.04984	2.6
131.08589	19.0
133.06534	9.5
133.10175	9.1
134.08154	2.5
135.04451	2.4
135.08105	2.8
135.11734	3.3
137.05992	13.8
141.05484	3.7
141.06996	3.8
142.07750	2.0
143.07042	54.8
143.08578	7.8
144.06566	22.7
144.09366	3.5
145.06523	14.6
145.10135	92.1
145.11298	4.4
147.04469	4.1
147.08081	4.5
147.11732	3.5
151.07590	6.1
154.07773	4.5
155.08572	5.6
157.10216	3.4
158.07225	11.4
159.08049	13.6
159.11691	40.6
161.09662	2.8
162.07629	13.5
163.07587	5.8
163.11160	13.1
169.10117	10.0
171.08104	1.8
171.11786	2.3
172.08867	6.0
173.09631	100.0
177.12817	4.1
180.08687	26.5
182.07281	3.4
187.11185	71.0
187.12794	3.8
189.12830	2.1
191.10669	19.3
197.09694	10.7
205.12248	61.4
215.10693	81.3
233.11754	51.7
251.12904	9.0
284.85635	1.9
290.12634	3.3
412.19873	8.8
430.20840	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	430.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.05506	1.2
56.05038	3.9
57.03440	0.7
58.06605	4.1
60.04522	1.9
61.02923	1.4
67.05498	1.8
68.99784	0.9
69.03437	3.8
69.31234	0.5
70.06594	2.3
72.08166	2.5
73.02934	0.8
74.02438	2.8
75.18166	0.5
79.05494	0.7
81.03433	2.1
81.07069	0.9
82.06590	5.5
84.08155	5.0
85.02914	9.4
86.09698	1.8
87.18051	0.5
91.05518	1.0
95.04955	1.1
97.02910	3.8
99.04404	0.6
105.07035	1.4
107.04975	0.7
109.02882	1.5
109.06533	0.8
111.04441	0.8
119.04944	0.7
119.08580	0.9
122.09742	0.6
123.04428	3.8
124.03926	0.5
124.07590	1.8
126.09119	0.5
127.03918	2.4
128.07094	7.4
128.86555	0.5
129.07043	1.3
129.10237	0.8
130.26556	0.5
131.08607	0.8
133.06444	0.8
137.06006	3.1
139.03914	1.2
141.05461	4.2
145.04964	1.5
146.07289	0.5
147.04398	2.3
147.08038	2.2
149.05951	1.0
150.09134	1.7
151.03897	1.0
151.07564	2.3
153.05476	46.9
154.05817	0.6
158.07292	1.0
160.07628	0.9
161.05981	1.0
161.09705	0.7
163.03903	1.4
163.07509	1.5
165.05493	1.6
165.09175	2.0
167.07011	0.6
174.06783	2.1
175.07549	7.8
177.05431	1.0
177.09103	1.5
179.07065	8.6
179.10677	2.4
180.10201	1.7
182.08192	0.6
189.09132	9.6
192.10226	4.1
195.10197	1.6
205.08568	2.8
206.11819	1.8
207.10175	8.3
222.11253	14.2
222.13390	0.9
224.12810	2.3
248.13538	0.6
251.09283	1.2
268.11823	100.0
269.12210	1.5
275.50647	0.5
292.11832	1.1
334.12912	0.9
394.15134	0.7
412.16071	1.5
430.17078	31.4
431.22107	0.6
449.54770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.7
55.01873	10.4
57.03441	7.1
60.04518	1.0
61.02918	4.9
68.99801	4.4
69.03434	34.5
70.63274	2.6
71.04984	3.7
73.02919	10.3
75.13423	0.8
78.34615	0.8
80.05000	0.9
81.03423	33.6
83.01363	1.6
85.02911	100.0
87.00833	36.7
91.03944	2.5
97.02898	37.6
98.06078	0.9
99.04463	18.9
101.02383	1.1
105.01871	33.8
105.02587	1.8
105.07058	1.0
108.04479	7.8
109.02131	1.8
109.02886	37.1
117.01848	6.7
126.05531	4.9
127.03922	79.3
129.01817	4.3
137.05956	2.9
145.04968	45.3
147.02922	4.8
159.02901	32.7
165.09114	2.0
177.03960	1.9
189.03949	1.5
189.09062	4.5
207.10170	2.5
212.05504	1.3
213.03970	3.1
230.06573	3.3
231.04996	18.9
231.10132	2.8
238.06313	0.8
240.23949	0.9
248.07669	4.8
249.06036	2.1
255.10190	1.6
266.08685	1.3
273.11194	3.6
298.82825	0.9
432.13861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.8
55.01876	2.7
57.03429	6.2
59.04718	3.9
59.05007	72.4
61.02926	5.6
67.05511	2.4
69.03436	31.9
69.56665	11.1
70.06588	3.8
71.04979	6.0
72.08126	1.8
73.02903	2.9
74.97996	1.6
81.03423	23.2
84.08147	3.6
85.02917	63.4
86.09708	4.6
87.04478	100.0
91.03955	4.7
91.05493	3.9
95.04965	4.4
97.02903	85.0
99.04476	10.6
100.02242	2.1
105.05516	87.2
109.02897	22.7
119.04947	8.9
123.04440	2.9
124.03991	1.8
127.03930	58.5
129.10283	2.7
145.04980	52.9
147.04430	57.5
161.38568	1.6
163.06010	5.0
164.07088	8.3
165.05472	3.9
171.04414	3.1
189.05437	4.0
213.07587	4.2
221.01215	1.6
231.08662	41.9
249.09720	35.3
291.08417	2.1
430.21875	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	430.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.5
50.30721	0.4
51.02379	0.6
53.03951	3.5
55.01878	0.6
57.03434	1.4
60.79244	0.5
69.03437	9.6
69.22363	4.2
70.06574	0.6
71.04998	1.5
71.97136	0.4
73.02924	0.7
78.03465	15.7
80.05006	2.4
81.03431	20.2
81.07072	1.3
85.02917	9.5
86.09705	1.6
91.05520	0.8
93.07072	0.5
96.04505	2.0
97.02906	5.3
99.04461	3.2
99.08051	0.7
106.02930	59.1
109.02897	13.9
111.72675	0.5
117.09148	1.2
119.94870	0.5
124.03970	100.0
125.04353	0.6
126.76354	0.4
127.03938	6.9
138.33073	0.4
145.04979	1.3
148.09586	0.5
164.07082	1.8
166.05061	1.6
193.57048	0.5
196.06088	1.1
203.70145	0.5
205.09995	1.1
218.25153	0.5
232.06100	4.1
250.07144	28.3
268.08194	60.2
269.08603	1.1
300.23886	0.5
412.16516	0.6
421.48663	0.5
430.17081	5.9
430.22360	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	429.3732
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
54.28298	0.8
55.05503	3.2
57.06794	1.3
57.07081	19.5
64.31160	0.8
67.05515	4.4
67.82001	0.9
69.07065	4.1
70.57125	0.7
70.67443	2.6
71.08289	1.2
71.08642	13.3
79.05477	1.1
81.07064	8.5
83.08637	3.8
85.10191	5.5
91.05475	2.7
93.07055	1.8
95.08620	6.9
97.10173	2.4
105.07024	2.4
107.08606	6.2
109.10166	7.6
119.08593	2.6
120.59352	0.8
121.10175	4.1
122.07256	1.8
123.11734	1.2
131.08585	3.4
133.10112	1.5
134.23471	1.0
135.08072	4.6
135.11674	1.8
137.09619	9.8
139.07559	2.0
145.10124	2.6
149.09625	14.8
149.13330	0.8
151.07629	1.0
159.11725	3.5
161.09650	1.9
163.11205	22.4
165.09129	100.0
173.09647	2.1
173.13283	2.0
175.07518	1.2
175.11223	5.2
176.08353	1.2
177.09125	12.0
177.12727	2.7
179.10683	1.4
186.10413	0.8
187.11223	2.9
187.14838	1.0
189.09117	1.1
189.12767	2.3
190.09996	1.2
191.10692	10.5
201.12793	2.9
203.10641	1.8
204.11598	0.9
205.12283	12.7
215.14299	1.9
219.13849	5.5
233.15375	3.7
247.16919	1.5
261.18610	1.1
275.19992	1.0
289.21500	2.1
303.23215	1.8
317.24844	1.6
331.26236	1.0
345.27725	1.3
353.07776	0.8
359.29800	0.9
373.31235	1.3
401.34167	3.4
411.36353	2.3
429.32617	2.5
429.37317	69.5
430.37595	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	430.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86051	0.4
51.17209	0.3
53.03934	0.5
55.01845	1.3
57.03428	0.7
58.06577	0.5
61.02906	1.1
66.18670	0.4
68.99792	0.6
69.03437	4.4
70.06586	1.9
71.04953	0.6
71.14758	0.5
72.55156	0.3
73.02898	1.0
81.03384	1.6
82.06569	1.1
84.07722	0.3
84.08151	4.2
85.02906	7.2
87.04446	1.1
88.03992	4.4
91.05454	0.6
95.04945	0.5
97.02883	3.5
98.06040	0.9
99.04446	0.7
105.07014	0.6
107.04963	0.7
109.02836	1.2
116.07086	0.8
119.04958	2.6
121.02821	0.7
121.06475	0.5
123.04393	1.0
124.03966	0.5
124.07619	0.6
127.03895	2.0
128.07089	3.8
133.06500	0.5
134.38129	0.3
135.04416	0.7
135.08067	0.6
135.91351	0.4
137.06030	2.4
137.06891	0.5
139.03903	0.8
141.05443	0.8
144.06610	2.2
145.04926	0.7
147.04346	0.4
147.08046	0.4
149.05991	0.7
151.07512	1.7
153.05475	17.3
161.05981	1.6
163.03886	2.0
163.07552	2.4
165.05522	1.8
165.09084	1.0
167.07051	5.4
169.04933	1.1
175.07562	2.9
177.05479	11.0
180.10115	0.5
189.10327	0.9
190.08578	0.5
191.07031	5.0
192.10295	1.8
193.08624	5.5
204.10231	0.4
206.11758	2.3
219.06555	4.2
222.11250	7.2
237.07587	7.5
250.10791	0.7
268.11807	100.0
269.12158	1.5
289.85541	0.4
302.76907	0.3
323.16116	1.1
412.16177	1.1
430.17126	18.3
431.20529	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	1.0
67.05482	0.3
68.27293	0.4
69.07062	0.5
71.08635	0.7
81.07047	1.0
83.08592	0.5
85.10156	0.5
91.31308	0.3
93.07025	0.5
95.08578	0.8
105.07008	1.0
109.10191	0.3
110.50616	0.3
114.96748	0.3
115.05467	3.6
117.05781	2.0
117.07066	0.4
118.96804	0.4
119.27480	0.4
121.10159	0.4
132.08102	5.3
133.05260	0.5
133.06488	1.3
142.06511	1.3
148.07582	8.8
159.06807	0.6
160.07590	100.0
161.07925	0.7
165.09138	0.7
188.07091	0.8
191.11810	10.5
229.10500	0.4
270.28030	2.6
296.29706	1.1
357.53796	0.4
386.30573	4.1
398.30536	3.3
429.17346	0.7
429.34985	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	429.3732
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.01894	1.2
55.05503	3.5
57.02923	1.4
57.07083	18.5
61.25171	1.2
67.05506	4.1
68.76491	1.4
69.07059	6.2
69.44659	1.5
71.08633	11.6
71.26418	2.0
74.02399	1.5
79.05489	1.7
81.07063	7.1
83.08612	3.4
83.89488	1.5
85.10172	5.2
88.68301	1.2
91.05486	3.2
93.07029	2.6
95.08627	8.7
97.10178	1.9
105.07016	2.4
107.08630	6.3
109.10191	6.6
111.11777	1.3
113.24991	1.3
117.55717	1.3
119.08575	4.3
121.10144	3.9
122.07342	1.8
123.11744	2.0
133.10138	2.2
135.08057	4.6
135.11693	2.0
137.09602	10.5
139.07571	1.5
145.10196	1.7
149.09612	16.7
149.13258	1.6
159.11757	3.0
163.11189	25.3
165.09123	100.0
172.08966	1.4
173.09677	2.7
173.13272	3.3
174.10373	1.8
175.11258	6.4
176.08328	1.5
177.09109	11.5
177.12704	2.2
179.10567	2.1
187.11261	1.6
189.12820	2.4
191.10706	11.1
201.12759	2.6
203.10661	1.7
203.14378	1.5
205.12254	9.8
215.14380	1.9
219.13841	4.5
233.15453	3.5
247.16998	2.1
289.21658	1.7
292.84933	1.3
303.23322	2.3
317.24722	1.4
401.34155	4.1
411.36060	1.7
429.31897	5.7
429.37277	66.5
430.37491	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50899	0.3
53.09427	0.4
56.96564	1.8
57.48538	0.4
58.06600	0.4
61.82716	0.4
69.45079	2.8
70.06577	0.6
76.83444	0.4
81.88097	0.3
84.08137	1.7
84.96042	0.6
85.02913	1.0
90.32557	0.4
97.02898	0.5
98.97588	4.7
105.07049	0.7
110.97580	1.4
115.05469	1.7
116.18815	0.5
116.98645	1.0
117.05753	0.9
120.57693	0.5
121.06559	0.4
122.06063	0.4
127.03934	0.4
127.12355	0.5
128.98604	1.0
132.08113	3.7
133.06459	0.6
136.06186	1.0
147.40268	0.4
150.05511	10.3
158.99690	0.5
160.07590	100.0
161.07906	1.2
163.03935	0.6
177.10239	16.6
209.87752	0.5
219.01799	1.7
221.26093	0.4
237.02934	1.1
239.03952	0.5
243.01723	0.5
249.00746	0.6
267.01657	0.9
267.09738	2.3
302.84970	0.4
330.33884	0.4
348.39481	0.4
356.25113	0.4
369.04974	0.8
387.05960	1.7
411.06158	0.5
429.06918	0.7
429.12714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12120	0.3
53.03942	0.6
55.01886	0.4
55.05515	1.8
56.36479	0.3
57.03441	4.9
57.07075	1.0
65.03945	0.4
67.05507	9.4
69.07071	2.1
70.57150	0.7
70.57534	0.7
71.04987	0.4
73.37004	0.3
73.66300	0.3
77.51099	0.3
79.05497	8.7
81.07061	10.2
82.07405	0.4
83.08617	1.0
85.06535	0.4
85.22077	0.3
91.05483	4.5
93.07052	10.4
94.11477	0.3
95.04984	0.6
95.08617	7.7
97.10181	0.4
98.98512	0.5
99.08118	0.4
99.45638	0.3
105.07030	2.8
107.08601	7.2
109.10181	2.9
111.08092	0.7
113.00024	100.0
113.09563	0.4
117.07036	1.3
119.08578	3.0
121.10153	6.7
123.11707	1.0
127.07861	0.3
131.01088	0.5
131.08572	3.9
133.10138	2.4
135.11700	5.0
137.13281	1.1
139.01563	0.7
139.71727	0.3
145.10118	2.9
147.11714	2.1
149.09593	0.6
149.13258	4.3
153.12776	0.5
154.02655	0.7
155.01103	1.2
159.11702	2.8
161.13338	1.8
163.11162	0.6
163.14825	2.5
165.12758	0.3
169.02623	90.0
173.13300	2.8
175.14836	0.6
177.16423	1.2
179.09071	0.3
187.03693	0.4
187.14824	1.4
201.16405	0.6
211.10446	0.4
215.17953	0.5
233.22618	1.0
243.21126	7.5
261.22147	20.0
275.23572	0.9
321.22772	0.3
429.24133	2.0
429.31982	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	429.2126
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02357	2.5
53.03952	9.3
55.01881	7.7
55.05522	16.3
57.03445	29.0
58.10919	2.5
61.02927	37.2
61.15443	2.7
67.05507	29.1
67.58831	3.0
69.03436	25.7
69.07074	9.9
69.73901	15.7
70.06604	12.3
71.01376	3.3
71.05009	7.7
72.08170	6.6
73.02943	16.8
77.74468	2.3
79.05503	31.3
81.03426	100.0
81.07057	28.9
83.04989	10.9
83.08636	19.2
84.04510	3.4
84.08154	4.9
85.02920	46.5
86.09712	16.5
87.04476	3.8
91.03987	17.4
91.05487	33.5
93.07044	24.7
95.01336	4.2
95.04984	84.7
95.08607	13.9
97.02902	40.8
97.06527	12.7
97.10187	6.5
98.20837	4.3
99.04478	8.9
101.02393	6.0
103.03963	13.7
103.05524	3.5
105.07050	28.5
107.04985	18.5
107.08611	19.0
109.02902	21.8
109.06527	13.0
109.10221	5.1
110.07221	2.9
111.04494	8.3
111.08099	11.3
117.05543	3.4
117.07042	11.5
119.04981	4.1
119.08598	24.2
121.02900	4.5
121.06523	15.7
121.10158	13.5
123.04453	40.9
123.08118	7.6
125.06070	3.0
125.09682	9.2
127.03943	17.3
128.06265	3.9
129.07024	13.5
131.04941	7.3
131.08585	16.8
133.06503	10.9
133.10173	13.0
135.04471	5.0
135.08136	7.8
135.11708	9.5
137.06007	12.9
140.86731	3.3
141.07068	3.7
142.07741	2.7
143.08598	5.6
145.05026	5.8
145.06529	7.9
145.10133	17.4
147.04391	14.1
147.08070	13.5
147.11719	11.8
149.06041	4.9
149.09694	7.9
155.08574	4.1
157.06522	2.8
157.10187	9.1
159.11655	3.6
161.06041	6.5
161.09644	6.5
163.11174	28.3
165.12830	3.3
171.04482	2.8
171.11798	5.9
173.09715	8.1
175.07585	8.4
175.11298	11.0
177.05406	2.9
177.12791	4.5
183.06613	4.2
185.13324	2.7
187.07600	3.8
187.11235	3.7
189.05560	7.1
189.12737	13.2
191.10768	4.3
193.12271	34.1
199.18051	4.1
203.10765	3.0
205.12291	5.5
207.13918	9.6
211.13318	18.0
213.12801	3.6
217.12277	6.4
223.13377	6.1
231.13844	3.9
233.11830	2.6
235.13316	79.6
235.15587	5.1
249.14900	16.0
251.12964	3.6
253.14420	6.4
259.13324	18.6
267.15982	37.1
273.14868	28.1
277.14557	9.6
289.14706	7.4
301.14368	28.8
301.19882	3.2
301.67816	2.8
309.16983	44.3
319.15601	10.5
333.17239	5.2
337.16580	5.3
351.18207	6.9
363.18103	3.4
375.18057	25.5
381.22397	2.7
393.19113	14.5
411.20187	11.4
429.21274	91.8
430.21408	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	429.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.1
63.77923	1.5
69.07067	3.6
70.06592	3.0
79.32581	1.6
81.03425	13.7
81.07052	3.2
82.93159	1.6
83.32098	1.4
86.09718	6.2
91.05457	3.9
95.04951	1.8
97.06523	1.5
105.07045	1.9
111.04486	1.8
115.05511	3.5
117.07059	1.6
119.08514	1.8
120.82901	1.6
122.03719	1.7
123.04433	22.7
128.06259	1.8
129.07021	10.5
131.04884	2.7
133.06520	8.0
135.04417	2.1
137.02354	100.0
137.03433	7.1
137.05977	30.1
139.03903	5.5
143.04924	4.7
145.06480	3.4
147.08063	7.0
149.02344	4.7
149.06110	1.3
151.03894	16.8
157.06500	13.4
159.04469	1.8
161.05978	5.8
171.04422	3.5
173.05933	2.4
175.07530	8.9
177.05487	7.0
189.05481	32.5
189.09167	9.1
190.06129	2.0
191.07030	12.4
193.05035	3.3
203.07051	8.8
205.08585	2.2
207.06483	10.5
219.06371	8.2
219.08386	2.1
233.08183	3.2
235.07483	2.1
247.07664	2.5
263.07153	2.5
264.07626	1.6
265.08426	2.0
271.06195	2.0
272.06790	4.1
275.06821	2.2
281.08109	2.4
283.09564	2.3
292.07303	2.0
293.08087	6.4
295.09674	4.2
307.09631	8.2
313.10669	13.7
325.10745	15.6
331.11893	2.3
343.11807	15.5
346.37085	1.9
411.18201	2.2
429.12073	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	429.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.4
55.01883	6.2
55.05507	1.5
57.03445	4.1
57.03672	0.7
61.02935	3.6
67.05521	1.6
68.99786	2.1
69.03435	20.5
69.07066	2.1
70.06593	1.1
70.69285	2.0
71.01355	1.2
71.04980	3.5
72.08128	1.1
73.02936	5.9
79.05491	3.8
79.29968	0.7
81.03431	23.4
81.07058	6.4
83.04993	3.9
84.08138	1.2
85.02915	46.0
86.09698	2.0
87.00840	16.5
87.04491	1.4
91.03965	1.5
91.05481	5.3
93.07050	8.4
95.04980	17.6
95.08608	1.2
97.02908	14.2
97.06519	1.8
99.04461	8.9
103.03928	2.7
105.01878	12.8
105.07036	7.6
107.08612	9.2
109.02900	21.4
109.06548	4.0
115.03912	0.9
115.05499	0.9
117.01863	3.0
117.07026	2.2
119.08558	3.6
121.06506	3.5
121.10156	10.7
123.04438	1.0
123.08057	1.7
125.06021	2.2
127.03933	37.0
129.01845	2.3
129.07019	1.0
130.07794	3.6
131.08621	1.4
133.06491	1.3
133.10114	1.7
135.11691	5.3
137.05949	1.1
145.04984	15.2
145.06258	1.1
145.06474	0.8
145.10132	15.0
146.52510	0.8
147.02896	3.5
147.08018	2.5
148.08830	0.9
159.02914	14.1
161.09686	1.3
162.27765	0.8
163.11200	100.0
164.07056	3.5
164.11485	1.2
165.09151	2.5
165.12837	1.4
167.07086	3.1
175.11191	1.5
177.03944	0.9
177.12735	0.7
181.12276	5.6
189.03996	2.7
193.12303	1.6
205.12245	4.4
213.03958	1.9
223.13322	7.4
224.13847	0.7
231.05009	6.8
233.08147	1.2
249.09781	1.1
393.15475	2.8
411.16541	1.5
429.21356	10.3
430.22141	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	428.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
57.03438	20.8
59.04993	5.0
60.04529	3.0
61.02927	3.8
67.05510	1.8
69.03432	73.1
69.07076	3.2
70.06596	19.2
71.52369	2.6
72.08147	1.6
73.02920	4.2
79.05494	2.6
81.03413	6.8
81.07055	4.8
84.08148	5.6
85.02907	100.0
86.09696	3.1
87.04473	59.5
91.03957	4.4
91.05482	1.9
93.07046	6.0
95.08613	2.2
95.76820	1.7
96.08121	2.3
97.02892	69.5
97.06554	1.7
99.04464	4.0
100.07610	4.1
101.02395	1.8
103.03971	2.4
105.07053	3.6
107.08614	3.1
109.02882	5.6
111.04445	2.8
114.05527	2.9
115.03934	86.3
116.07098	2.7
120.08096	3.4
123.04455	2.0
126.73914	1.6
127.03922	20.8
128.07100	5.6
131.08586	2.3
133.04968	98.4
133.10100	3.4
138.18697	1.7
143.08556	2.6
145.04964	40.4
145.10133	2.2
147.04411	1.9
150.07629	13.3
156.13887	2.4
159.11691	1.9
162.12788	4.4
163.06010	17.0
169.04993	2.6
174.13467	1.6
183.79445	1.9
184.13393	2.9
194.11833	4.9
207.12494	5.8
229.07100	2.2
241.07109	2.6
256.12469	1.6
259.08209	4.4
278.63858	2.3
279.17990	2.1
295.10199	4.7
410.26712	3.8
428.27866	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	428.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
56.05050	0.5
57.03418	0.7
59.43225	0.5
63.57162	0.4
67.05509	1.1
69.03442	1.3
69.07070	0.9
70.06601	4.6
71.05000	0.9
71.52068	0.5
72.08157	2.1
74.06087	0.8
74.09717	0.7
74.29326	0.5
78.52639	0.5
79.05474	0.7
81.07056	1.1
82.06583	9.2
83.05004	0.6
84.04510	1.0
84.08154	7.7
85.02924	2.4
86.09696	1.5
91.05466	1.1
93.07058	2.7
95.04989	1.6
97.02895	2.1
98.36044	0.5
99.04469	1.2
99.08112	0.5
100.07627	1.9
102.05537	1.4
105.07030	1.0
107.08616	0.8
109.02879	0.8
109.06525	1.0
109.10209	0.7
110.07143	0.7
111.91512	0.5
116.07104	1.4
117.09153	0.8
119.04938	0.9
119.08618	0.5
121.06495	2.7
121.10144	0.8
123.04404	0.7
124.04707	0.5
124.07582	1.0
126.75156	0.5
127.02930	0.4
127.03930	1.6
128.07088	100.0
129.10286	1.0
130.08611	0.8
131.08617	0.6
136.06233	0.6
137.05980	2.0
139.03925	0.9
142.07582	1.0
142.08652	14.8
142.09770	1.0
145.04967	0.7
147.04399	1.3
147.07552	0.6
149.05956	3.6
150.07715	0.8
150.29828	0.5
159.11757	0.8
161.06033	0.9
163.03929	2.1
163.07532	0.8
165.09123	0.5
167.07047	1.8
175.07593	0.6
176.07092	0.9
179.03392	2.1
180.03676	1.3
188.09196	69.6
191.07127	0.5
195.01120	1.4
209.08145	1.1
254.72455	0.6
266.13907	0.7
266.17514	0.7
288.06091	0.6
366.22861	1.2
377.28268	0.6
410.21753	3.1
428.23505	14.3
447.38895	0.6
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
53.03938	3.2
53.78356	1.3
55.05513	23.1
57.07077	7.5
67.05511	29.4
69.03460	1.6
69.07072	50.1
71.04993	2.9
71.08609	2.7
71.25619	1.8
71.25941	1.7
79.05495	16.1
81.07062	97.6
83.08626	21.3
85.06500	1.6
91.05488	11.5
93.07044	40.5
95.04994	2.4
95.08613	100.0
97.02902	2.1
97.10190	11.8
105.07043	22.7
107.08599	53.1
108.08261	1.5
109.06504	2.8
109.10163	77.0
111.08070	2.8
111.11738	9.0
117.07024	2.3
119.08591	27.2
121.10152	43.5
123.08111	3.7
123.10832	3.6
123.11723	49.4
125.09679	4.3
125.13212	2.5
131.08594	3.7
133.10149	20.8
135.11696	33.3
137.13261	25.9
139.11143	1.8
145.10117	5.4
147.11714	19.1
149.13269	32.7
151.07550	22.2
151.11171	8.4
151.14845	7.5
159.11729	5.4
161.13280	14.8
163.11168	1.7
163.14836	22.9
165.12737	2.9
165.16400	3.9
173.13289	6.5
175.14830	10.4
177.09169	2.8
177.16394	16.4
179.17996	2.9
187.14830	5.1
189.16405	9.8
191.10670	6.8
191.17957	12.9
201.16481	3.8
203.17973	15.4
205.12247	4.3
205.19620	9.6
215.17972	4.6
217.19524	12.5
219.21086	3.4
221.19098	3.7
229.19627	2.3
231.21071	6.7
233.22772	2.8
243.21126	2.7
245.22653	3.1
257.22617	2.9
259.24387	2.6
265.25180	2.6
271.24274	2.6
273.25775	2.6
285.25845	3.5
327.30460	2.2
339.30664	1.5
353.31863	2.8
409.38275	21.9
427.33502	3.6
427.39410	76.3
429.71402	1.7
442.53821	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03745	0.5
53.03949	3.7
57.03452	3.3
57.07082	100.0
58.07406	0.7
58.64381	0.5
59.04997	0.5
61.02941	1.9
65.56144	0.5
69.03436	21.7
70.00307	1.4
70.06593	4.4
71.05007	1.3
73.02917	0.7
78.51697	0.6
80.61282	0.6
81.03426	33.9
83.01362	0.8
85.02916	26.2
85.06551	20.0
91.05519	2.1
97.02905	29.0
98.21420	0.9
99.04477	4.3
103.07588	13.2
109.02888	21.5
116.07118	3.3
119.04968	6.4
127.03932	32.7
127.55249	0.5
145.04982	12.6
147.04428	29.8
148.04720	0.7
165.05545	1.4
167.11734	0.5
211.09799	2.3
229.10733	51.7
230.11205	0.7
243.10777	0.7
247.11795	63.7
255.06625	0.8
325.79263	0.6
393.15573	1.1
410.29236	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05272	0.6
55.05516	9.5
55.45643	0.4
57.07082	6.3
59.01837	0.5
67.05511	5.8
69.07075	28.7
71.08637	2.7
79.05489	1.5
81.07062	9.0
83.04967	0.5
83.08624	10.0
85.10188	0.7
91.05486	1.2
93.07055	2.8
95.08612	6.0
97.06562	0.5
97.10183	6.4
99.30072	0.5
105.07033	1.4
107.08607	3.8
109.10169	5.8
111.11719	3.6
119.08598	2.8
121.06555	0.5
121.10161	2.9
122.07323	1.0
123.11714	2.6
125.06027	0.5
125.13280	1.2
131.08578	1.7
133.10138	0.9
135.08038	3.2
135.11702	1.2
137.05980	1.4
137.09627	9.4
137.13255	1.5
139.07556	0.5
139.41266	0.4
145.10147	1.2
149.09627	11.4
149.13263	1.0
149.52544	0.4
151.07553	1.6
153.09067	0.5
154.55164	0.4
155.08575	0.5
157.10138	0.7
159.08092	0.7
159.11696	1.5
160.08884	0.7
161.09648	0.9
162.06789	0.6
163.07607	0.7
163.11197	7.6
165.09125	100.0
173.09641	1.0
173.13258	0.8
175.07581	1.7
175.11166	3.8
176.08391	1.0
177.09129	6.7
177.12784	1.0
179.10715	2.4
187.11165	1.4
189.09163	2.7
189.12796	1.3
190.09912	1.2
191.10681	6.6
199.11096	0.8
200.12106	0.6
201.12769	1.7
203.10703	6.9
203.14299	1.7
205.12260	11.2
205.14224	0.7
213.12788	0.5
215.14401	0.6
217.12236	2.1
219.13766	2.6
227.14310	0.5
231.13863	2.3
233.15410	1.2
245.15434	0.7
275.20175	0.8
287.10779	0.5
289.21637	1.1
301.21487	0.6
317.24902	0.8
331.26144	0.7
345.27869	1.8
357.27740	0.5
358.28531	0.6
359.29565	0.6
371.29471	0.9
382.19995	0.4
399.32248	0.8
409.34564	0.6
412.33597	0.8
427.15210	0.9
427.30060	0.9
427.35712	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	427.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49582	3.2
55.05523	3.6
62.20182	3.4
67.05539	3.5
69.07058	10.0
69.76075	20.7
79.05470	3.3
81.72724	3.3
85.06558	4.0
91.05489	8.8
93.07057	9.4
99.74973	3.3
103.05489	3.9
105.07021	4.7
109.87332	3.7
115.05470	5.0
119.08546	5.9
121.06647	2.9
122.03689	4.4
129.07010	11.0
131.04942	6.2
131.08528	5.8
137.05995	100.0
143.08607	3.7
144.05714	5.4
151.03893	5.9
151.07600	3.9
154.73001	3.2
157.06488	7.8
159.11757	3.7
160.05174	7.0
172.05185	5.5
174.06784	7.8
175.07562	52.1
177.09142	3.3
182.42519	3.2
187.07558	76.7
188.08162	3.5
189.09140	20.3
203.08521	5.2
205.08704	4.9
209.68321	4.1
211.07559	5.3
217.08575	19.3
219.08142	7.6
219.10164	3.7
231.08026	4.5
240.94151	3.2
247.07509	4.8
248.08342	7.5
255.13823	8.0
263.10681	9.1
265.08682	3.4
270.08899	7.7
271.09561	7.2
276.07870	4.9
279.10141	9.9
283.09552	4.3
291.10059	14.1
293.08087	5.6
296.10376	5.7
311.12878	17.4
323.12848	25.5
341.13934	20.7
391.18918	3.9
409.20154	5.9
421.22003	4.1
427.27847	4.1
443.60129	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43315	1.4
59.04989	1.6
59.88707	1.5
69.07088	9.6
69.25787	10.6
69.26196	3.0
81.07068	2.6
83.04982	5.0
91.05491	3.2
94.04177	2.2
98.21528	2.6
103.05457	4.1
109.06551	1.8
117.07070	2.5
119.04918	1.8
122.03649	7.8
129.07001	4.6
131.04962	9.7
131.05843	1.5
137.05992	100.0
137.50145	1.4
143.02429	1.5
143.04979	2.0
143.08557	2.7
144.05615	2.2
145.06517	2.7
145.10135	1.7
149.06003	1.8
151.03947	11.0
151.05040	2.2
151.07545	14.6
157.06480	2.8
159.08078	2.8
160.05211	1.9
163.07558	12.1
165.05534	8.8
171.08040	3.2
172.05119	2.2
173.09641	2.5
173.50890	1.6
174.06758	5.0
175.07600	14.7
177.05495	2.1
177.09167	5.3
179.07086	1.8
181.86298	1.6
187.07584	17.8
188.08272	2.5
189.09120	8.7
195.08038	2.0
198.20180	1.7
199.07570	5.5
201.09171	2.8
203.08865	2.2
203.10718	6.3
205.12164	7.4
207.10214	6.8
211.07481	2.8
215.10652	1.7
217.08636	3.9
219.08142	2.3
219.10127	2.2
221.11708	7.2
224.08253	1.8
225.09195	2.6
227.07126	3.9
229.08586	2.3
229.12198	2.1
231.08070	2.9
232.08945	1.5
237.08968	2.4
239.07118	5.6
240.07846	3.7
247.07497	2.1
248.08305	4.4
249.09109	2.1
255.06549	6.6
255.10292	3.0
255.13712	7.6
257.15387	2.0
260.08316	1.8
262.09821	1.8
263.07053	1.7
263.10675	4.1
264.07880	1.6
265.08508	2.3
268.07288	2.7
270.08908	11.6
270.11472	2.3
271.09671	5.6
274.99371	1.6
275.10724	2.6
276.07913	3.8
277.08676	3.1
279.10242	4.1
280.10831	1.5
282.08920	4.2
283.09641	15.7
285.14911	5.5
288.08054	1.6
291.10199	12.5
292.10864	2.3
295.09641	4.6
296.10410	2.4
303.10193	2.9
305.08322	1.8
305.11868	1.9
307.09644	2.8
308.10516	1.9
309.11151	2.4
311.12915	3.0
320.10468	2.6
322.12061	1.8
323.12830	22.5
324.32648	11.9
335.12793	8.1
338.15167	27.9
339.15741	3.6
341.13815	6.8
351.15863	3.7
353.13666	2.3
359.16571	2.6
379.19031	2.6
391.19009	11.1
397.20193	1.7
409.20139	33.3
427.21155	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	427.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
59.05002	3.3
60.46173	0.9
67.05489	0.8
68.61221	0.8
69.03434	1.0
69.07072	6.8
69.55829	2.8
69.56256	2.7
73.55770	0.8
77.35611	0.7
78.75764	0.8
79.05502	1.5
83.04970	3.8
91.05470	1.9
94.04197	2.1
98.20772	1.6
101.68533	0.9
103.05469	3.8
105.07047	1.0
107.04970	1.0
108.11871	0.8
109.06530	1.0
115.05444	1.8
117.07024	2.3
120.60026	0.8
121.06615	0.9
122.03666	8.9
128.06248	2.1
129.07050	4.0
131.04955	10.8
131.08556	1.7
135.04393	1.6
137.05992	100.0
139.04279	1.1
141.06993	1.2
143.04913	1.8
143.08572	2.3
144.05641	0.9
145.06490	4.4
145.10107	1.1
147.04454	1.0
148.05202	2.0
149.05977	1.0
151.03929	11.4
151.05020	1.3
151.07550	16.2
155.08508	1.4
157.06563	4.1
158.07275	1.5
159.08017	2.0
160.05237	1.9
161.05998	1.9
163.07570	13.0
165.05498	11.1
165.06824	1.0
167.07137	1.1
169.06401	1.1
171.08075	3.8
173.09628	3.1
174.06787	3.5
175.07565	12.8
177.05476	1.4
177.09166	4.0
179.07108	1.4
187.07544	7.1
188.08293	2.9
189.09108	8.8
191.07001	1.2
191.08690	1.0
191.10591	1.7
195.07956	1.2
199.07532	5.6
201.09090	3.7
203.08733	1.4
203.10669	6.0
205.06566	0.8
205.08615	2.8
205.12259	7.1
207.10187	3.4
211.07625	1.4
213.09241	1.6
217.08543	2.3
217.12077	1.1
219.08104	1.4
219.10158	1.6
220.08876	1.1
221.11739	5.1
223.11212	1.0
229.08632	2.6
229.12170	1.6
231.08026	1.4
231.13777	1.2
235.07486	0.9
237.09006	1.5
239.06995	2.6
240.07805	2.4
243.08144	1.1
243.13948	1.5
245.09314	0.9
248.08321	1.6
252.11508	0.9
253.08731	1.0
255.10150	3.1
255.13831	9.0
259.07629	1.4
260.08344	1.5
263.10779	2.0
264.07971	0.9
265.08609	1.4
265.12170	1.0
268.07312	1.4
270.08884	1.1
271.09714	2.1
274.09421	1.1
275.10608	2.5
276.07797	1.0
277.08621	2.4
278.09592	0.9
279.10141	1.8
282.08838	4.0
283.09674	9.7
285.14639	5.0
290.09308	1.4
291.10074	4.7
292.10797	2.2
293.11609	1.1
295.09650	3.4
303.10065	2.6
305.08194	1.6
305.11533	1.2
307.09772	2.0
307.13190	1.1
308.10464	2.0
309.11288	1.6
311.12811	1.2
317.11697	1.4
320.10425	1.6
321.11386	1.9
322.12088	1.7
323.12787	9.1
325.14297	1.2
335.12878	6.4
338.15161	16.7
339.15735	2.6
341.13782	1.1
351.15912	3.2
353.13962	3.9
359.16251	1.3
365.18295	1.0
379.18857	3.9
391.19043	10.6
397.20169	3.3
409.20148	32.4
427.15823	1.5
427.21198	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2119
Annotation	andilesin D
Peak:m/z	Relative Intensity
54.11653	0.8
55.01858	1.1
55.83778	1.0
59.04986	2.4
67.13779	0.9
69.07073	4.7
69.95580	4.0
83.04972	3.4
91.05480	1.8
94.04182	3.0
103.05455	2.5
105.89989	0.8
115.05461	1.4
117.07023	1.9
120.81281	0.9
122.03654	7.2
127.32171	0.8
128.06239	2.4
129.07022	4.2
131.04922	9.9
131.08553	1.5
137.05988	100.0
141.06970	1.0
142.49828	0.9
143.04919	1.1
143.08560	2.6
145.06497	5.2
145.10100	1.8
148.05173	2.8
149.05984	1.9
151.03914	11.7
151.05013	1.5
151.07556	16.6
157.06512	4.3
158.07289	1.3
159.08055	2.2
160.05185	2.1
161.06041	1.0
163.07556	16.5
165.05508	8.9
171.08070	2.7
173.09642	2.5
174.06822	2.0
175.07538	11.4
175.98206	1.0
177.05492	1.4
177.09097	3.6
187.07578	7.0
188.08301	3.0
189.09166	8.0
191.10748	1.5
194.07341	1.1
195.08041	1.3
197.09654	1.1
199.07585	5.2
201.09097	3.5
203.08981	1.3
203.10660	7.0
205.08572	2.1
205.12219	8.4
207.10141	2.7
211.07466	0.9
213.09033	1.5
215.10612	1.1
217.08644	2.2
219.07991	1.1
219.10156	1.4
221.11720	6.9
225.09087	1.9
229.08604	2.0
231.13901	1.1
232.08800	1.4
237.09209	1.6
238.33513	0.9
239.06946	1.3
240.07835	1.2
243.08266	1.1
243.13760	1.1
247.07399	1.1
248.08162	1.4
249.09201	1.1
253.08553	1.3
255.10213	2.1
255.13818	9.0
257.15302	1.2
261.09061	1.4
263.10568	1.4
265.08655	1.6
268.07257	1.3
270.08823	1.5
275.10739	1.5
277.08502	3.2
277.11725	1.0
279.10309	1.6
282.08871	3.0
283.09616	8.1
285.14810	5.0
288.07883	1.9
290.09402	1.3
291.10306	4.2
293.11832	1.3
295.09570	2.7
303.10083	2.4
305.11984	1.1
307.09637	1.8
307.13220	1.0
308.10245	1.2
309.11273	1.5
311.12708	1.9
320.10257	1.1
321.11322	1.4
322.11807	1.3
323.12793	10.0
335.12790	5.7
338.15204	15.4
339.15930	3.4
351.15918	3.1
353.13788	3.4
359.16489	2.0
369.17285	1.1
376.16660	1.1
379.19098	4.1
381.20496	1.2
391.19043	12.5
397.20184	5.0
409.20139	35.5
427.15811	1.7
427.21161	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1969
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
53.03947	3.6
55.01862	3.7
55.05495	4.9
57.03431	4.0
61.02921	3.9
64.28603	1.4
66.52696	1.7
67.05496	7.1
69.03435	27.0
69.07050	2.0
70.06588	7.9
71.04975	4.6
71.51418	1.9
71.51817	2.6
72.08139	2.5
74.06075	2.2
79.05476	5.6
81.03420	7.9
81.07053	3.5
82.06519	1.7
83.04977	3.3
84.08125	5.7
85.02441	3.1
85.02914	39.1
85.06547	2.1
85.08469	2.0
86.09710	2.7
87.04488	2.0
91.03961	1.7
91.05490	11.6
93.03422	2.2
93.07058	11.0
95.04980	13.2
95.08622	9.8
95.22808	2.0
97.02900	14.9
97.06510	3.1
98.97629	1.9
99.04459	4.2
105.03351	1.6
105.07033	17.3
106.74931	1.7
107.04942	1.9
107.08574	7.3
109.02883	6.6
109.06521	8.9
109.10173	2.0
110.07153	1.6
111.04431	7.8
111.08038	3.5
113.05990	6.3
115.05489	1.7
116.07108	2.0
117.06978	3.6
119.04901	2.3
119.08588	26.4
121.02880	4.1
121.06516	12.7
121.10157	4.8
123.04436	3.5
123.08064	6.4
125.09505	1.8
127.03925	8.8
128.06203	1.8
128.07079	2.2
129.07014	3.6
129.10265	2.7
131.08580	13.8
133.02898	2.1
133.06488	2.9
133.10123	7.2
135.04404	2.3
135.08069	29.3
136.68954	1.5
137.05974	2.5
137.09621	6.2
139.03931	8.0
139.07507	1.7
141.06941	2.3
142.07780	3.7
143.08545	5.5
144.09377	2.4
145.04938	4.2
145.06445	3.5
145.10121	8.4
147.04329	1.8
147.08047	10.5
147.11697	3.8
147.43362	1.3
149.09634	4.5
150.07736	4.8
151.07683	1.5
155.08517	1.6
155.10687	2.0
156.09381	2.0
157.10210	8.0
158.07277	6.3
159.08076	12.4
159.11668	12.6
160.08818	2.4
161.05997	2.2
161.09666	12.7
165.09132	9.4
168.09326	2.4
169.10118	2.3
171.08072	2.3
171.11629	2.9
172.08803	6.4
173.09639	6.8
173.13245	6.4
175.07544	21.0
175.11230	13.1
175.14883	1.7
177.05380	2.4
179.03401	18.0
179.06929	1.7
183.11674	5.4
184.40802	1.5
185.09619	3.4
187.07701	2.1
187.11179	13.9
188.09128	1.7
189.09134	4.4
189.12659	3.7
193.08623	3.8
193.10165	1.8
196.08888	2.5
199.11205	7.3
201.12796	12.6
203.10713	20.0
205.12251	3.2
207.10194	2.4
211.11237	8.0
215.10637	1.8
217.12227	12.2
219.13872	3.9
229.12210	11.8
235.13301	4.9
247.05826	2.2
247.13309	45.4
265.14371	100.0
367.06946	4.4
409.08728	2.1
427.19598	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	427.1944
Annotation	(-)-Ixerin J
Peak:m/z	Relative Intensity
51.19510	0.4
55.05498	0.5
59.04983	0.7
63.46011	0.5
67.05513	0.6
69.03429	1.2
70.06600	4.8
71.04994	0.5
71.52404	0.6
72.08163	2.4
79.05492	0.8
81.03423	0.6
81.07093	0.8
83.04990	0.6
84.08141	1.8
85.02901	1.9
86.09705	1.5
87.04474	0.9
91.05494	1.1
93.07072	0.9
94.91486	0.5
97.02885	0.8
97.06552	0.4
99.04469	2.2
105.07084	1.0
107.05007	0.4
107.08615	1.3
109.02921	0.6
109.06567	0.6
110.07166	0.6
110.75470	0.4
115.40433	0.4
116.07131	1.2
119.04954	0.9
120.08127	1.0
121.10151	0.5
123.04439	0.8
123.11680	0.5
127.03910	1.2
129.10258	0.8
131.04961	1.0
131.08600	0.9
133.02843	0.7
133.10149	0.4
135.04465	0.5
136.06279	0.5
137.05989	0.6
139.03903	0.4
143.73755	0.5
147.04431	0.5
151.03937	0.5
151.11200	0.4
163.04068	0.5
167.27151	0.4
173.12866	0.8
179.03401	8.5
203.03438	0.8
206.66307	0.4
207.09979	1.6
213.16197	0.5
215.07083	0.5
247.13138	5.9
259.09921	0.5
265.14191	1.2
277.10480	0.5
295.06015	4.7
299.11542	0.7
321.07599	1.0
335.09372	0.6
349.07184	1.5
363.09302	0.5
391.07996	0.7
409.09186	1.1
409.18680	1.5
427.19492	100.0
428.20154	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
62.06209	0.3
70.78194	0.8
83.01346	0.4
91.05473	0.9
94.04217	0.4
95.04936	0.4
97.02907	0.4
107.04952	1.2
109.02855	0.8
120.05685	0.6
121.06523	7.1
125.02321	0.5
129.07001	0.4
135.03397	0.8
135.04424	12.0
137.02322	1.5
139.03897	1.5
148.05179	1.6
149.02316	0.5
149.05998	0.6
150.06737	1.4
151.03967	0.4
152.04675	0.6
153.01839	4.4
156.99594	0.3
157.06454	0.6
161.06003	0.8
165.01851	1.6
171.08046	0.4
181.01331	3.7
185.05943	0.6
187.07513	0.5
193.01352	0.4
197.05939	0.6
198.01526	0.4
213.05504	1.2
225.05347	0.5
227.07013	1.4
230.05624	0.8
241.04982	1.2
243.06581	0.4
245.08049	2.0
248.07594	0.4
255.06586	0.8
258.05246	2.6
269.04413	2.5
270.05176	0.5
271.05984	0.8
272.06647	0.5
273.07635	1.2
281.04471	0.4
283.05823	0.5
284.06839	2.5
286.04782	4.0
287.05463	0.8
297.03845	1.1
298.04535	0.5
299.05536	2.2
300.06168	1.2
301.07077	38.2
302.07635	0.4
311.05554	3.5
312.06287	4.4
313.07071	9.2
314.04288	1.2
315.05038	1.5
316.05798	5.1
327.04959	1.8
329.06567	100.0
330.07349	80.7
331.07867	2.2
427.13739	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
55.66859	0.2
57.04555	0.4
65.41460	0.2
68.82512	0.2
68.99783	0.3
69.63453	0.2
70.06590	0.7
71.52071	0.3
72.08162	0.2
79.05466	0.2
81.03412	0.2
84.08144	0.3
85.02897	0.6
86.09679	0.2
87.00818	0.2
91.05450	0.2
94.04061	1.4
97.02852	0.3
112.05093	0.2
123.04450	1.5
123.06696	0.7
124.03933	0.2
127.03899	0.3
128.07037	0.2
129.82213	0.2
135.04431	0.4
135.05400	0.3
139.03909	2.1
143.10762	0.2
147.04405	0.3
148.04626	0.2
150.07765	100.0
151.03853	0.3
151.08052	0.6
160.07652	0.3
161.05980	0.2
163.03957	0.6
167.03372	0.3
175.03970	0.2
177.05461	0.3
177.09171	0.2
179.03415	0.5
187.03943	0.2
188.09267	0.2
189.05414	0.2
191.03404	0.7
193.04906	0.3
201.05487	0.3
203.03412	0.4
229.04982	0.3
233.04456	0.4
245.04401	0.2
247.05948	0.4
252.56653	0.2
257.04486	0.5
259.06085	0.2
271.05963	0.2
275.05438	1.0
282.12012	0.7
283.05994	0.4
287.05573	1.2
295.11530	23.9
296.11755	0.3
301.07022	0.6
409.09238	0.6
427.15012	0.7
437.89746	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18413	1.6
53.03931	1.9
54.79322	1.5
55.05499	5.4
55.25445	1.7
65.03931	2.4
67.05503	10.3
69.03430	2.9
69.07033	2.1
70.06597	2.8
70.35251	4.1
71.07369	6.3
72.08159	29.4
73.24257	1.6
79.05501	67.8
81.03407	5.1
81.07080	11.6
81.74746	1.8
85.02933	1.8
91.04967	2.5
91.05489	24.8
93.07055	10.9
95.05000	8.3
95.08583	2.6
103.70589	1.8
105.07040	27.5
106.52911	1.7
107.04942	4.9
107.08607	47.6
117.07008	3.1
119.08586	9.8
123.61983	2.1
131.08572	6.0
133.06476	3.2
133.10114	10.2
137.05884	1.6
139.09915	16.1
145.10117	2.2
147.08072	3.5
147.11711	32.6
149.13245	6.5
152.10718	2.6
157.10130	2.5
159.94148	1.7
175.11189	5.7
196.50949	1.6
246.18564	100.0
258.11191	3.0
264.16959	3.1
264.19614	44.5
283.76285	2.6
424.64282	1.8
426.23013	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	426.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.4
55.01883	10.0
55.05521	6.1
56.05038	1.4
58.06579	1.5
65.03937	4.7
67.05529	6.2
69.22055	13.7
70.06609	6.8
71.04971	2.7
71.07359	3.9
72.08163	29.1
79.05499	6.9
80.05032	1.2
81.03437	7.2
81.07065	1.8
82.06575	3.4
91.05489	62.2
93.03401	5.9
93.03922	1.4
93.07053	8.9
94.06564	3.5
95.04964	4.5
95.08587	2.1
97.94916	1.1
98.06070	3.0
98.21553	2.3
103.05492	2.5
105.03409	1.7
105.07043	6.5
106.06554	4.4
107.04964	18.1
107.08620	1.5
108.08105	2.5
110.06042	2.1
115.05463	5.9
116.06251	3.2
116.07059	2.4
117.07054	18.7
118.06598	1.7
119.04955	33.5
119.08578	5.2
120.08116	6.6
121.06525	2.0
121.08908	8.9
124.07574	1.6
128.06215	4.5
129.07024	9.1
131.04919	6.4
131.08583	69.1
133.04948	4.2
133.06493	3.9
133.10114	4.1
134.09688	7.4
137.06001	3.3
138.09169	1.3
139.09941	4.5
141.07013	20.2
143.08603	3.9
144.05710	10.1
144.08128	2.1
145.06520	6.5
145.10147	2.3
147.07968	1.5
150.09138	3.2
158.09663	3.3
159.08075	41.3
161.09595	5.5
162.09111	8.4
169.06433	8.7
169.07567	2.3
170.09666	1.9
172.11223	2.5
177.09081	2.6
186.09146	5.7
187.07567	38.0
191.40143	1.4
205.08705	1.9
230.15414	8.2
240.13754	2.8
248.87747	1.3
258.14923	100.0
276.15973	62.5
372.17963	2.1
390.19211	14.2
408.20212	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.8
55.01855	8.6
55.05505	9.3
56.05017	2.8
58.06603	3.6
65.03942	6.9
67.05503	8.8
69.03424	5.2
69.07072	3.2
69.41786	6.6
69.42223	7.1
70.06596	15.9
71.04973	5.9
71.07378	10.2
72.08155	43.1
79.05502	10.0
81.03407	6.2
81.07044	5.9
82.06563	2.2
83.04984	2.0
85.02905	3.5
91.05481	100.0
93.03403	9.1
93.07054	20.3
94.06560	2.9
95.04968	7.7
95.08595	5.3
96.04476	3.5
97.02863	2.1
98.06058	5.0
105.04532	2.4
105.07029	7.6
106.06548	3.6
107.04961	17.0
107.08632	3.6
109.06516	2.8
109.10139	1.9
110.06039	4.4
115.05428	5.0
116.06254	2.0
116.07088	7.1
117.07007	19.3
119.04938	62.9
119.08578	6.2
120.08125	4.6
121.06478	2.0
121.08908	8.3
122.09661	2.4
122.10453	2.3
123.04553	1.9
124.03967	2.6
124.07541	2.3
128.06255	3.0
129.07008	8.7
131.04909	7.1
131.08571	62.4
133.04951	2.0
133.06511	3.9
133.10132	8.5
134.09673	4.5
137.05983	20.8
139.09906	16.8
141.06989	23.5
143.08566	3.3
144.05727	12.4
145.06490	7.9
159.08049	54.9
161.09590	6.9
162.09117	4.9
164.10838	2.0
167.11127	1.7
169.06386	10.7
169.07703	4.5
177.05437	2.0
186.09105	2.4
187.07544	36.4
190.12311	6.4
204.09937	2.2
205.08681	2.5
230.15375	4.1
232.17038	3.2
240.13876	4.7
258.14899	95.0
259.15280	2.0
273.03909	4.9
274.04272	9.2
276.15955	89.5
372.17975	4.1
390.19186	19.3
408.20160	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61876	24.8
62.11812	21.5
66.61800	18.0
69.07070	27.6
69.41109	54.8
69.41536	100.0
81.07053	55.5
89.06015	31.3
93.07046	40.5
95.08615	24.8
99.95199	18.6
105.07064	29.8
107.08580	59.6
109.10145	60.0
114.10847	19.0
119.08577	56.5
121.10155	52.4
123.11705	19.8
123.40905	17.1
126.97260	21.4
135.11690	20.5
147.11736	25.0
158.58420	18.6
215.17818	22.7
237.12851	18.3
425.13467	40.3
425.37729	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
53.20511	0.4
56.42038	0.4
58.92415	0.3
62.06081	0.5
62.46770	0.3
67.05511	1.6
69.03445	1.4
69.07076	0.7
70.06603	11.0
71.05001	90.5
71.51961	0.6
72.05312	0.4
72.08165	2.1
79.05512	0.4
81.03439	0.7
81.07096	0.9
84.04549	0.6
84.08148	4.9
84.09106	0.4
85.02921	1.7
85.06523	0.4
86.09720	2.3
91.05513	1.6
93.07058	0.5
94.06567	0.6
95.04977	1.0
95.06113	0.5
95.08653	0.6
96.68089	0.4
97.02915	0.7
97.06573	0.6
99.04465	0.5
105.07069	0.4
106.06614	0.5
109.02895	1.2
110.03599	0.4
110.07204	0.6
112.07624	1.5
112.55228	0.4
116.07126	1.1
120.08134	0.9
122.06030	1.4
127.03946	1.1
128.07109	0.7
129.10283	1.0
130.08682	0.6
133.10124	1.0
136.07610	1.6
137.06047	0.6
138.09190	1.4
147.02818	0.4
147.04424	0.5
150.05516	0.9
153.04144	0.6
164.01616	0.6
168.06665	0.8
169.12331	0.5
177.05531	0.6
177.99565	0.7
179.03407	7.6
179.04893	0.4
192.01234	0.7
192.04765	0.9
193.12331	0.6
196.00658	14.4
200.10883	0.5
202.03198	0.6
205.99138	1.2
207.83771	0.4
211.13385	0.8
218.08215	0.6
220.00702	0.7
220.04350	2.3
224.00140	28.0
229.14531	0.9
231.01379	0.5
234.02429	0.5
248.03720	3.0
256.11731	0.7
266.04880	0.5
274.12881	1.9
276.03384	2.0
287.13931	1.1
294.04324	75.8
295.04626	1.1
305.15027	1.7
310.03864	0.7
356.04196	0.5
380.08081	7.0
382.18707	1.3
408.07773	2.1
408.12778	0.5
426.08582	100.0
427.08884	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3782
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
54.51653	3.0
55.05512	13.0
57.07066	5.4
62.30388	2.5
67.05510	20.7
68.13437	3.4
69.07082	29.5
71.52980	3.5
71.53338	3.8
79.05490	13.5
81.07066	54.7
83.08620	12.1
84.07502	3.1
84.16621	2.8
86.09714	14.6
89.06026	3.5
91.05481	12.2
93.07049	39.2
95.08613	73.2
97.06509	3.6
97.10163	8.4
100.28912	2.7
104.83526	2.7
105.07030	21.0
107.08598	51.0
109.10165	53.8
111.08109	4.2
111.11727	6.2
117.07043	3.4
119.08595	37.2
121.10148	46.1
123.11722	29.5
125.09710	3.7
125.80877	3.4
127.11208	4.7
131.08585	7.6
133.10118	29.3
135.11726	43.7
137.13289	18.1
145.10127	13.3
147.11690	21.8
149.13252	24.7
151.14885	4.8
159.11736	19.3
161.13268	21.2
163.14832	10.2
171.11739	3.2
173.13292	8.5
175.14853	13.8
177.16397	14.5
179.14290	3.1
187.14868	11.7
189.16399	15.8
191.17987	18.2
195.17480	8.3
199.14853	3.1
201.16418	7.3
203.17979	11.1
213.16566	4.1
215.18005	11.0
217.19485	14.6
229.19617	14.4
231.21133	9.2
257.22513	4.0
262.64072	3.1
285.25916	5.2
329.28641	4.0
407.36856	13.5
425.21420	5.1
425.32233	6.3
425.37836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Fern 9(11)-en-12-one
Peak:m/z	Relative Intensity
53.03935	1.4
55.05518	11.1
57.07079	5.7
59.04993	1.0
66.19157	0.9
67.05508	20.8
69.07077	19.4
70.20471	1.6
70.20810	3.3
71.05003	12.6
71.08623	1.9
79.05505	14.1
81.07063	53.4
83.08624	11.1
85.06538	1.6
85.10165	1.0
89.06020	1.1
91.05482	10.4
93.07052	34.7
93.07642	2.1
95.04964	1.4
95.08614	60.8
97.10192	4.8
99.08118	2.1
103.05459	1.1
105.07042	24.3
107.08606	46.9
107.97275	1.0
109.10166	55.6
111.11735	4.0
117.07036	3.1
119.08591	36.4
121.10152	47.3
123.11713	28.7
125.13229	1.1
127.11199	17.6
129.07007	1.7
131.08603	8.4
133.10133	33.6
135.11699	32.5
137.13266	12.9
141.12755	1.8
143.08586	3.3
144.09419	1.4
145.10141	17.9
147.11700	23.0
149.13272	24.8
151.14789	1.7
153.12744	5.9
157.10139	2.1
158.11003	1.2
159.11710	23.3
160.12277	1.2
161.13278	18.3
163.14841	12.2
165.12746	1.1
171.11688	3.4
172.12518	1.6
173.13278	15.5
175.14841	17.6
177.16406	15.3
179.14384	1.1
179.17950	1.1
185.13318	2.8
186.14061	3.7
187.14847	20.6
189.16399	16.9
191.17972	20.8
193.15950	2.9
195.17410	8.2
197.19031	1.7
199.14795	2.8
201.16382	12.0
203.17981	12.6
205.19513	1.1
211.20682	1.4
213.16458	5.5
214.17178	2.2
215.17955	15.7
217.19534	12.4
227.18092	2.3
229.19543	18.2
231.21112	13.3
241.19542	2.3
243.21173	4.8
245.22734	1.3
253.19756	1.3
255.21254	1.7
257.22629	9.5
259.24240	5.3
271.24249	3.3
283.24283	2.6
285.25696	7.5
287.23682	2.4
289.25525	1.2
301.25296	2.3
303.27075	1.3
329.28452	1.9
339.30493	3.5
355.30011	3.5
369.31570	2.6
383.33148	1.4
407.36832	7.2
425.37805	100.0
426.38208	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	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.28003	2.0
53.03946	2.6
55.05515	15.0
57.07069	7.1
67.05506	23.3
69.07075	34.1
70.64477	4.9
71.04991	5.9
73.04341	1.9
73.17434	1.6
73.54590	2.1
79.05498	17.8
81.07060	69.7
83.04928	2.0
83.08618	18.3
85.96415	1.8
91.05473	13.1
93.06484	3.6
93.07048	52.3
95.08614	65.7
97.10180	13.3
98.94028	2.0
99.08093	2.7
105.07040	27.6
107.08596	61.3
109.10168	66.0
111.11742	4.7
117.07012	2.9
118.95330	2.1
119.08588	39.7
121.10155	44.5
123.11720	33.1
125.09597	2.7
127.11229	7.5
130.98924	2.0
131.08563	9.0
133.10139	29.6
135.11697	46.2
137.13260	15.5
139.11145	2.6
143.08580	2.3
145.10124	15.3
147.11691	30.1
149.13271	36.6
151.14807	4.2
157.10173	3.7
158.85744	2.0
159.11705	18.3
161.13295	22.2
163.14836	17.2
171.11678	3.5
173.13271	15.2
175.14813	15.7
177.16351	13.6
187.14807	10.7
187.24316	2.0
189.16351	13.5
191.18007	9.1
195.17482	5.1
199.14897	2.7
201.16417	9.2
203.17958	12.3
207.17523	2.9
213.16324	4.4
215.17929	7.6
217.19568	14.3
227.17854	2.6
229.19518	12.1
231.21104	9.8
241.19565	2.7
245.19014	3.6
257.22675	4.3
259.24261	4.8
271.24240	8.4
273.26108	2.1
285.25882	11.8
339.30453	2.8
343.29962	4.1
359.85635	2.4
369.31479	3.8
407.36761	16.7
425.37772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03940	3.7
55.05516	16.7
56.61441	2.4
57.07063	6.6
67.05234	2.3
67.05513	27.2
69.07077	39.8
71.04982	5.3
71.08642	3.1
71.38765	2.6
71.39091	2.5
79.05505	22.6
79.08340	2.2
81.07063	87.5
83.08629	18.8
91.05485	14.4
93.07053	52.9
95.04900	2.3
95.08618	86.1
97.10148	6.6
97.93997	2.3
105.07042	28.3
107.08611	63.1
109.10165	84.8
111.11721	7.7
112.81533	2.3
119.08591	38.9
121.10153	59.1
123.11723	32.5
125.09704	3.4
127.11197	11.9
131.08560	9.4
133.10127	38.9
135.11717	57.6
137.09576	2.2
137.13243	16.7
145.10147	17.0
147.11702	34.3
149.13277	37.0
151.14824	4.0
152.24211	2.3
153.12721	3.8
159.11702	21.2
161.13280	30.7
163.14868	13.7
171.11693	4.5
173.13309	13.3
175.14830	21.5
177.16385	21.6
185.13356	4.6
187.14859	15.2
189.16408	17.8
191.17946	16.2
193.15919	2.6
195.17468	5.6
199.15030	2.2
201.16400	12.0
203.17953	19.2
207.17462	3.1
213.16441	5.7
215.18028	10.3
217.19560	17.2
227.17912	3.9
229.19460	14.5
231.21063	17.2
243.20984	2.6
245.22757	4.8
257.22711	7.7
269.22610	3.1
271.24191	4.1
283.24142	5.5
285.25760	5.3
325.28796	3.8
339.30685	2.6
343.29810	3.3
407.36664	29.9
425.37817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03946	2.9
55.05510	14.2
57.07074	14.9
67.05507	29.2
69.07068	28.1
69.48153	12.2
71.05008	13.9
71.08630	6.0
79.05495	14.4
80.67667	1.7
81.07058	71.4
82.69033	1.9
83.08606	12.5
85.10168	3.6
91.05482	11.0
93.07050	35.3
95.08610	66.4
97.10178	7.6
98.21505	2.4
99.08090	4.8
99.52448	1.9
105.07040	30.7
107.08597	38.9
109.10158	73.7
111.11724	3.8
113.00024	23.1
117.07026	3.5
119.08586	52.4
121.10142	42.9
123.11708	34.6
125.09635	2.0
127.11201	20.8
131.08614	12.3
133.10130	31.0
135.11699	29.1
137.13266	13.6
141.12738	2.6
144.09355	2.0
145.10139	16.0
147.11693	25.3
149.13263	25.2
153.12787	6.1
157.10129	2.5
159.11705	27.3
161.13261	31.4
161.27467	1.5
163.14812	20.2
169.02612	31.1
171.11676	1.9
172.12651	2.0
173.13274	22.5
175.14841	25.0
177.16357	13.2
185.13286	3.7
187.14848	20.0
189.16359	16.9
191.17986	6.8
193.15849	2.8
195.17468	5.8
199.14758	3.7
201.16364	9.4
203.17941	14.7
211.20667	4.1
213.16409	6.4
215.17967	22.0
217.19502	12.3
227.18013	2.2
229.19525	23.0
231.21089	9.2
243.21094	3.5
245.22636	2.2
257.22675	7.3
259.24301	4.2
271.24301	4.1
283.24380	3.6
285.25821	11.2
287.23569	2.4
297.25916	2.5
301.25314	2.6
313.27490	13.3
315.26846	2.7
325.28986	2.9
339.06445	1.6
339.30542	6.8
343.29910	3.2
367.16202	1.8
407.36716	8.8
425.21228	2.5
425.37796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3782
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.75771	1.1
51.60168	1.1
53.03944	3.0
55.05513	15.5
57.03428	5.0
57.07078	18.5
57.76566	1.3
58.45093	1.1
65.03923	1.9
67.05511	36.3
69.07075	35.3
70.10020	2.7
70.10408	3.0
71.05001	13.5
71.08645	10.9
73.06561	1.3
77.03901	1.1
79.05503	22.1
81.07064	84.3
83.08627	14.7
85.06552	1.7
85.10181	4.5
89.06017	1.8
91.05492	18.2
93.07052	52.3
95.08614	83.8
97.06516	1.4
97.10156	8.1
98.21427	1.4
99.08113	4.4
105.07036	37.3
107.08602	75.7
109.10165	91.8
111.11742	4.9
113.00027	45.9
117.07001	3.6
119.08595	45.7
121.10155	55.2
121.11053	2.7
123.11725	30.6
125.09624	1.8
127.11204	22.3
129.07002	1.7
131.08580	13.6
133.10147	37.0
135.11697	69.6
137.06010	2.3
137.13283	11.3
139.11217	2.6
141.12755	2.0
143.08635	3.2
145.10144	23.5
147.10522	1.8
147.11691	32.1
149.13278	36.1
151.14804	2.3
153.12746	7.2
157.10150	2.6
159.11710	27.4
161.13258	24.3
163.14835	19.2
167.14354	2.1
169.02628	61.0
169.04083	3.0
169.69548	1.2
171.11717	4.4
173.13293	21.6
175.14853	24.8
177.16402	20.5
185.13353	4.7
186.13977	1.2
187.03737	2.1
187.14836	18.5
189.16400	19.7
191.17940	10.1
193.15918	4.7
195.17545	5.7
197.13231	1.3
199.14897	5.3
201.16371	14.1
203.17975	18.6
205.19463	2.6
211.20657	1.7
213.16394	4.9
215.17969	16.5
217.19525	15.3
227.17961	4.0
229.19507	24.5
231.21075	14.0
239.23845	2.4
241.19475	2.4
243.21156	4.3
245.22635	1.6
249.22292	2.0
257.22672	9.1
259.24130	6.5
269.22644	2.2
271.24283	4.7
275.23730	1.9
283.24268	2.8
285.25797	12.1
297.25647	1.6
301.25449	2.5
313.27380	25.0
315.26904	1.7
323.27515	1.6
325.29285	1.7
329.28339	2.5
339.30453	8.0
343.30154	2.6
369.31464	3.3
383.33331	1.4
384.18958	1.7
407.36783	9.6
425.37823	100.0
426.38538	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	425.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.05510	14.2
57.07074	14.9
67.05507	29.2
69.07068	28.1
69.48153	12.2
71.05008	13.9
71.08630	6.0
79.05495	14.4
80.67667	1.7
81.07058	71.4
82.69033	1.9
83.08606	12.5
85.10168	3.6
91.05482	11.0
93.07050	35.3
95.08610	66.4
97.10178	7.6
98.21505	2.4
99.08090	4.8
99.52448	1.9
105.07040	30.7
107.08597	38.9
109.10158	73.7
111.11724	3.8
113.00024	23.1
117.07026	3.5
119.08586	52.4
121.10142	42.9
123.11708	34.6
125.09635	2.0
127.11201	20.8
131.08614	12.3
133.10130	31.0
135.11699	29.1
137.13266	13.6
141.12738	2.6
144.09355	2.0
145.10139	16.0
147.11693	25.3
149.13263	25.2
153.12787	6.1
157.10129	2.5
159.11705	27.3
161.13261	31.4
161.27467	1.5
163.14812	20.2
169.02612	31.1
171.11676	1.9
172.12651	2.0
173.13274	22.5
175.14841	25.0
177.16357	13.2
185.13286	3.7
187.14848	20.0
189.16359	16.9
191.17986	6.8
193.15849	2.8
195.17468	5.8
199.14758	3.7
201.16364	9.4
203.17941	14.7
211.20667	4.1
213.16409	6.4
215.17967	22.0
217.19502	12.3
227.18013	2.2
229.19525	23.0
231.21089	9.2
243.21094	3.5
245.22636	2.2
257.22675	7.3
259.24301	4.2
271.24301	4.1
283.24380	3.6
285.25821	11.2
287.23569	2.4
297.25916	2.5
301.25314	2.6
313.27490	13.3
315.26846	2.7
325.28986	2.9
339.06445	1.6
339.30542	6.8
343.29910	3.2
367.16202	1.8
407.36716	8.8
425.21228	2.5
425.37796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79107	2.6
55.05503	8.1
57.03430	3.8
57.07070	22.9
67.05505	17.6
69.07070	12.7
70.24525	3.5
71.08286	2.9
71.08619	18.8
71.09460	7.7
71.11401	3.1
79.05488	6.6
79.17340	3.0
79.38523	4.8
81.07056	28.1
83.08617	7.9
85.10186	6.7
86.83499	3.6
89.06029	7.1
90.06419	3.5
91.05531	4.0
93.07059	12.5
95.08609	32.2
97.10214	4.2
105.07047	9.6
107.08590	13.3
109.10178	23.5
113.00027	74.5
119.08590	10.1
121.10132	12.3
123.11689	8.6
133.10133	11.4
135.11691	8.9
137.13344	3.5
145.10155	5.9
147.11674	9.5
149.13297	8.5
149.88625	3.5
159.11697	8.7
161.13327	6.7
164.59000	2.9
169.02618	100.0
175.14873	4.2
177.16458	7.8
185.95717	3.1
187.14859	5.1
189.16434	7.3
201.16499	4.4
203.18108	5.0
215.17938	4.0
217.19495	5.2
239.15001	3.6
257.22595	4.1
313.27380	41.6
351.87622	4.0
407.36783	5.7
425.21875	4.5
425.37750	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	425.3782
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05533	10.7
57.07082	3.8
58.50394	1.6
59.30774	1.5
64.96272	2.0
67.05516	23.5
69.07079	26.7
69.81519	4.4
69.81931	4.4
79.05497	12.1
81.07070	56.1
83.08632	13.7
89.59509	1.5
91.05483	5.1
93.07063	28.8
95.08622	90.1
97.06508	3.0
97.10190	8.6
97.66052	1.6
105.07056	20.5
107.08615	50.2
109.06587	2.2
109.10172	70.6
111.11742	9.7
113.99864	1.5
117.07069	2.3
119.07807	3.1
119.08598	35.1
121.10163	45.0
123.08133	2.6
123.11739	22.0
125.09662	1.8
131.08568	4.2
133.10146	26.6
134.11894	1.5
135.11703	31.5
137.13278	17.0
143.08568	2.0
145.10162	7.9
147.11713	20.6
149.13290	20.6
151.14772	3.7
157.10205	1.7
159.11693	10.9
161.13277	16.6
163.14836	14.4
166.69682	1.7
171.11763	2.5
173.13345	8.5
175.14845	16.7
177.16394	10.6
179.14366	4.7
179.18008	2.0
184.87506	1.5
185.13342	3.1
187.14888	7.2
189.16408	20.4
191.17981	23.2
200.60497	1.7
201.16415	9.1
203.17996	14.2
205.19553	16.7
207.17455	6.9
215.18021	12.5
217.19514	15.8
219.17526	3.0
229.19540	9.5
231.21095	6.7
233.19070	3.6
243.21127	8.9
245.22707	13.6
247.20630	11.0
255.21263	3.6
257.22675	4.6
259.24237	4.0
261.22150	6.4
269.22748	5.5
271.24203	8.6
273.22293	2.1
273.25681	1.7
273.61697	1.7
285.25836	4.2
287.23770	2.6
297.25748	2.3
329.28223	2.1
407.36798	29.5
425.21695	2.8
425.37863	100.0
426.38358	4.0
449.44220	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.3
67.05495	3.0
69.07069	10.4
71.68670	1.8
81.07085	3.9
91.05480	5.7
91.64827	1.8
93.03410	1.9
105.07067	3.2
105.27478	2.0
107.04963	5.9
109.06552	3.6
111.04472	1.9
119.04939	2.4
121.06532	2.1
122.03650	5.6
125.06010	3.4
128.06274	2.3
129.07008	4.4
131.04924	2.5
131.86678	2.1
135.04401	5.1
136.05273	2.8
137.05989	100.0
149.05983	8.3
151.03914	3.8
151.07556	64.0
153.05482	5.8
157.06534	6.8
159.08089	4.3
162.06921	2.4
163.07539	4.0
165.09126	7.3
167.07042	2.9
172.08878	6.2
173.06036	6.1
174.06752	4.0
174.10378	2.6
175.07585	1.9
177.09100	3.5
188.08365	25.2
189.09148	25.1
191.10689	2.3
201.09180	9.7
203.10695	47.7
203.12630	3.5
204.99785	1.9
205.12279	17.7
215.10638	20.0
217.12347	2.5
233.11710	4.7
253.08727	3.7
254.09392	4.2
261.09052	4.2
269.08365	2.4
270.08960	3.8
275.10593	2.6
277.08798	2.8
282.08896	7.2
284.10529	8.9
293.11813	5.4
297.11209	35.8
307.13297	5.2
308.14084	7.5
309.11151	5.8
310.11774	2.6
311.12918	3.5
324.13565	5.1
339.15875	41.8
351.16022	2.8
357.13275	2.1
357.16992	9.2
365.17490	5.0
395.18488	2.4
407.22186	5.0
425.19257	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	425.1961
Annotation	arugosin A (ring-opened form)
Peak:m/z	Relative Intensity
50.99375	0.2
55.01870	0.5
65.03950	0.5
66.04716	0.3
67.05502	0.8
67.09319	0.2
69.06736	0.3
69.07073	3.5
69.18343	1.4
69.18777	1.0
79.05476	0.4
81.07050	0.6
91.05476	0.7
94.04198	2.0
95.04980	0.4
103.05452	0.3
107.04981	1.6
115.05467	1.5
117.07036	0.9
117.35826	0.2
122.03656	5.7
122.04483	0.5
123.04442	1.6
125.06022	0.3
129.06961	0.6
131.04924	0.5
133.06477	0.5
133.85870	0.2
135.04436	3.1
136.05173	0.8
137.05984	100.0
138.06316	0.7
143.04935	7.8
145.06502	0.9
151.03914	20.6
151.04988	1.4
157.06537	0.3
159.04459	0.3
160.05231	0.3
161.05992	0.4
163.07538	0.3
165.05467	0.3
175.07559	2.6
177.09070	0.3
189.09041	0.4
190.06363	0.3
191.07048	1.0
203.07016	2.6
205.08611	3.3
219.13925	0.4
260.35239	0.3
321.11465	0.4
325.10782	0.3
326.11606	0.6
327.12296	10.8
339.12439	0.6
346.20615	0.3
355.11667	0.7
356.12619	1.2
357.08893	0.4
357.13358	8.2
395.18564	8.2
407.18903	0.3
425.19608	20.9
426.19830	0.5
437.18356	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1964
Annotation	Glyinflanin E
Peak:m/z	Relative Intensity
55.01881	3.5
55.05514	3.1
67.05502	5.1
69.07072	6.9
70.06598	2.2
72.08157	5.1
74.37781	1.5
79.05498	5.7
81.03424	3.5
81.07061	4.8
83.08649	1.7
84.08141	2.4
91.05485	5.4
93.07040	4.8
94.04175	3.9
95.04965	3.1
95.08611	4.0
97.06548	7.8
103.05482	3.9
105.07077	2.6
107.04945	2.7
107.08632	3.2
107.27821	1.7
109.06506	3.3
109.10162	4.4
115.05453	7.0
117.07045	4.7
119.08609	2.5
121.06526	2.2
122.03653	4.8
123.04391	2.7
128.06233	6.0
129.07045	9.0
130.12273	2.1
131.04945	7.1
131.08565	8.3
133.02986	1.5
135.04410	9.3
137.05998	100.0
139.03973	1.7
142.07857	1.7
142.67114	1.8
143.04962	2.2
143.08566	3.0
144.05714	5.4
145.06512	9.9
145.10098	4.3
147.04478	3.0
151.03926	34.3
151.05043	2.6
151.07544	6.5
155.08591	5.5
157.06494	7.1
158.07213	2.4
159.04437	2.1
159.08121	11.7
160.05197	4.6
161.06023	3.2
162.06870	1.9
163.03886	2.0
163.07559	5.1
165.05505	3.0
165.09155	3.8
167.08640	2.5
171.08051	4.1
172.05225	2.6
173.06030	3.5
173.09674	3.5
174.06841	3.9
175.07555	26.2
177.05475	2.8
177.09123	17.7
181.06522	2.5
183.08093	3.6
185.06139	1.9
185.09549	2.3
186.06677	2.7
187.07568	27.0
188.08307	2.7
189.09145	13.0
191.10724	9.3
195.08105	4.7
199.07544	6.9
201.09163	15.8
203.07005	2.2
203.10612	7.7
205.08565	8.5
205.12245	2.1
209.09694	4.6
211.11168	2.0
213.09111	2.4
215.10710	4.6
217.06795	1.6
217.08534	10.0
219.08093	2.8
219.10123	2.3
223.11148	2.4
225.09143	3.0
227.10696	5.6
229.12253	4.8
235.75580	1.7
239.10818	3.4
241.12296	7.1
249.09389	1.7
253.12193	3.6
255.13911	2.3
277.08716	1.8
283.13312	4.5
303.08481	1.9
305.11618	1.8
306.08868	2.7
321.11212	6.5
336.13748	3.7
336.29044	2.3
337.14337	2.7
365.17560	3.2
377.17535	11.8
389.17441	5.6
407.18985	14.3
407.36765	2.1
408.34802	3.3
425.19846	19.2
425.28967	2.0
425.37415	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1962
Annotation	arugosin A (ring-opened form)
Peak:m/z	Relative Intensity
51.72989	0.6
53.04557	0.6
55.01863	0.5
59.54657	0.5
61.07396	0.5
65.03942	0.8
67.05494	1.2
69.07071	4.4
71.52159	0.6
79.05492	1.4
81.03397	0.8
81.07048	1.7
91.05466	0.9
93.07021	0.9
94.04175	1.6
95.04939	0.9
95.08628	1.1
103.05492	0.7
105.07024	3.2
107.04952	2.2
108.02036	0.7
109.10129	1.2
115.05463	1.9
117.07020	0.8
122.03662	6.2
123.04440	0.7
128.06171	0.7
129.06978	1.4
131.04950	1.0
133.06502	2.8
135.04420	6.9
136.05167	0.6
137.05988	100.0
143.04939	8.4
145.06479	1.2
147.08018	0.8
151.03915	31.4
151.05016	2.3
151.07544	1.1
157.06496	0.8
161.06007	7.4
163.07544	0.9
165.05540	0.6
171.32343	0.6
175.07520	3.7
179.00209	0.6
187.07581	2.3
190.06314	0.6
191.07088	1.3
203.07085	2.2
205.08627	3.7
215.07051	0.7
272.62274	0.7
321.11340	1.0
325.10748	1.7
327.12265	11.1
339.12244	1.1
355.11655	1.0
356.12701	1.0
357.13394	7.7
375.08118	1.0
395.18604	8.2
419.64725	0.7
425.19647	23.3
425.31839	0.8
430.37411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.1
65.03936	1.4
67.05500	2.9
69.07060	1.8
69.85686	3.3
79.05495	1.3
79.82934	0.6
81.07058	1.9
91.05497	1.6
92.75133	0.6
93.07028	0.7
94.04211	1.5
94.35321	0.6
95.04954	2.0
95.08572	0.9
98.20886	0.7
107.04981	1.3
108.02116	2.3
109.06532	1.4
109.10165	0.8
117.07036	0.7
122.03654	5.1
123.04405	1.0
133.10197	0.7
135.04442	2.0
137.05994	79.8
141.05481	1.9
143.04922	3.3
145.06512	1.1
149.02386	0.9
149.06007	0.7
150.02884	0.7
151.03926	100.0
151.05032	8.6
157.06543	0.8
161.06027	0.9
163.03967	1.1
163.07559	0.9
165.05505	4.2
166.27318	0.7
175.07574	2.6
177.05551	1.1
179.03490	1.5
187.07608	1.4
189.05539	0.8
196.05801	0.7
203.07089	2.1
205.08595	1.7
207.08295	0.7
215.07027	1.1
218.07402	0.9
219.08185	1.3
235.07385	0.8
246.06850	1.5
261.09128	2.8
274.06229	1.2
277.08649	1.5
278.09393	1.2
279.10233	1.7
284.10498	1.8
289.08566	3.8
291.06674	0.9
297.11331	1.0
306.08932	1.8
307.09726	2.1
311.12857	2.6
321.11276	12.2
324.09811	0.7
327.12317	4.0
339.12335	12.5
357.13358	37.2
395.18600	1.4
425.20325	4.2
425.30145	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	425.1963
Annotation	Angusticornin B
Peak:m/z	Relative Intensity
59.05001	2.3
65.03937	1.3
66.32328	1.0
67.05497	1.2
69.07075	12.8
69.89429	1.0
70.81481	2.8
77.03946	1.3
78.83958	1.0
79.05505	6.3
81.07047	1.6
83.05004	2.4
91.05489	2.9
93.07040	1.2
94.04158	1.5
94.70701	1.0
95.04985	2.0
98.21383	1.3
101.83447	1.1
103.05492	3.7
105.03383	1.5
107.04931	1.1
115.05473	3.8
117.07029	3.8
119.04963	1.5
122.03654	5.0
123.04448	1.2
128.06313	2.4
129.07013	4.7
131.04947	8.9
131.08597	1.5
135.04427	100.0
137.05989	51.9
137.07056	1.3
141.06978	2.3
143.04942	4.9
143.08591	1.9
145.06488	5.5
145.10164	1.9
147.04434	2.2
148.05161	1.2
149.02324	7.0
149.05997	4.9
151.03915	10.4
151.07559	11.0
157.06531	3.9
159.08063	2.9
161.06000	3.7
163.07567	8.3
165.05489	6.3
171.08054	2.0
173.06018	9.6
173.09648	3.0
175.03955	2.1
175.07553	6.0
177.05411	1.6
177.09146	3.9
183.08073	1.2
185.06004	3.2
187.07555	12.0
189.09135	3.2
195.07991	1.6
197.06000	1.2
199.07549	6.8
201.09129	6.3
202.94922	1.1
203.06989	2.6
203.08842	1.9
203.10757	4.2
205.08670	3.3
205.12230	9.2
211.96428	1.2
213.09102	2.5
215.08708	1.3
217.08601	1.9
219.10219	2.2
221.11761	4.9
223.11290	1.5
229.08655	4.7
229.12091	1.1
233.09634	1.6
235.07668	1.5
238.06247	3.2
243.13841	2.0
247.07581	1.8
247.10916	1.3
248.08311	2.3
253.08597	4.0
255.13846	11.0
259.07242	1.4
260.08502	1.9
261.09146	3.5
263.07141	1.8
263.10556	2.0
267.13919	1.7
273.09106	2.0
275.10867	1.5
277.08734	1.4
278.09354	1.6
280.07318	4.4
281.08054	10.0
285.14868	6.9
289.08612	3.0
290.09418	1.4
291.10156	2.9
293.08087	3.0
293.11716	1.4
297.58649	1.1
301.08755	1.2
303.10065	2.5
306.08813	1.3
307.09735	2.1
308.10526	1.6
320.10370	2.4
321.11224	12.4
323.12842	1.6
327.12363	2.2
333.11270	8.9
336.13593	15.0
337.14395	2.6
339.12051	1.5
349.14401	2.0
351.12244	4.8
357.13712	3.5
377.17285	6.0
389.17545	13.3
395.18433	7.6
407.18573	45.0
425.19617	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	425.1423
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
58.64756	0.3
60.15691	0.3
65.03966	0.4
69.03425	0.5
69.07090	0.4
70.06585	1.4
71.04978	1.2
71.07658	0.5
71.08002	0.5
72.08148	1.2
81.07047	1.0
84.04488	0.6
84.08141	1.2
85.02895	0.9
85.06546	0.7
86.09719	1.9
91.05487	2.4
92.05806	0.3
93.07063	0.3
95.04939	0.5
95.08612	0.4
97.02885	0.5
97.06505	0.4
99.08078	0.4
101.00867	0.4
105.07058	0.4
109.17325	0.3
110.07145	0.5
111.04481	0.3
116.07050	0.3
119.04936	0.8
121.10165	0.4
127.03938	0.7
129.10199	0.5
132.10185	0.4
136.07596	0.7
137.07930	0.4
142.09811	0.3
147.04395	1.5
148.04747	0.7
152.43616	0.3
153.48061	0.3
156.07693	0.4
162.66451	0.3
173.03085	0.3
229.10400	0.5
263.13928	0.4
293.09415	0.4
311.09802	2.0
332.17883	0.3
332.41400	0.3
367.79059	0.3
407.15091	0.6
425.14108	100.0
426.09171	0.6
426.14114	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1964
Annotation	Angusticornin B
Peak:m/z	Relative Intensity
51.02378	0.8
53.03947	1.6
55.01871	1.6
55.05527	0.7
59.05007	3.5
60.16996	0.7
62.41607	0.7
65.03935	0.8
66.92448	0.7
67.05507	1.3
68.09802	0.7
69.07076	12.3
76.20667	0.7
77.03909	0.7
78.51283	0.7
79.05500	5.6
81.03428	0.8
81.07038	2.0
83.04986	2.1
86.55319	0.7
91.05479	2.4
93.07041	0.9
94.04173	1.1
95.04973	1.2
95.08607	1.4
98.20776	2.2
103.05453	4.4
105.03433	1.6
105.07030	0.9
107.04960	1.9
115.05457	3.5
117.07017	3.8
119.04942	0.7
119.08608	0.8
121.06562	0.8
122.03637	4.5
123.04453	1.3
123.08093	0.9
128.06232	2.0
129.07016	5.5
131.04933	10.6
131.08589	1.9
135.04427	100.0
136.04822	1.5
137.05989	59.6
141.06998	1.1
143.04961	4.8
143.08580	2.9
145.06473	5.8
145.10135	1.8
147.04411	2.7
148.05215	2.0
149.02347	7.8
149.05991	5.0
151.03931	13.3
151.05035	0.8
151.07562	9.6
155.08676	1.1
157.06540	3.6
158.07285	2.1
159.04472	1.2
159.08095	2.5
160.05267	1.3
161.05992	4.2
163.03905	1.5
163.07564	9.7
163.08836	1.1
165.05504	10.2
165.09084	3.4
171.08067	4.2
173.05974	10.3
173.07339	0.8
173.09622	4.0
174.06752	1.7
175.03960	1.1
175.07567	6.1
177.05504	1.5
177.09116	3.1
179.14352	0.9
183.07994	1.0
185.06015	4.6
187.07568	8.9
187.11270	1.0
188.08383	1.5
189.09071	3.8
191.06985	1.3
191.10652	1.2
195.08109	1.7
197.09630	1.1
199.07576	6.3
201.09163	5.0
203.07059	2.8
203.08665	1.7
203.10561	6.0
204.09201	0.9
205.08603	1.8
205.10397	1.2
205.12276	11.4
209.09686	1.0
211.07588	1.5
213.09129	2.1
215.08672	0.8
217.08638	1.9
218.07173	0.9
219.10132	1.9
219.13828	0.9
220.08694	1.1
221.11745	6.8
223.11288	1.4
225.09050	1.0
229.08583	4.0
229.12283	2.2
231.08102	2.0
231.13791	1.2
232.08800	0.9
233.09689	1.3
235.07556	1.6
237.05389	0.9
238.06357	1.9
241.12263	0.7
243.13905	1.9
247.07608	1.5
247.13394	1.2
248.08308	1.3
253.08638	2.9
255.13821	9.4
257.15448	1.7
259.07620	1.7
260.08313	1.4
261.09213	2.5
262.10028	0.9
263.07007	2.0
263.10672	1.9
267.13821	1.7
268.07288	1.8
273.09155	2.2
275.07364	1.0
275.10791	2.2
276.07874	1.2
277.08600	1.7
278.09454	1.3
280.07318	2.3
281.08112	10.9
285.14868	6.5
288.07806	1.3
289.08585	2.9
290.09464	1.8
291.10229	2.2
293.08142	3.7
293.11404	1.7
295.09860	1.1
301.08591	2.0
302.09348	1.4
303.10211	3.1
305.08188	3.0
305.11707	1.3
306.09024	1.1
307.09576	1.9
308.10471	1.3
309.11365	1.0
318.08997	1.6
319.09775	1.9
320.10403	1.4
321.11194	10.0
323.12906	1.2
327.12274	4.6
331.09741	0.8
333.11307	7.4
336.13596	14.2
337.14490	3.3
339.12262	1.5
347.12759	0.9
349.14304	3.2
351.12244	5.3
357.13531	2.8
359.16437	0.9
363.15698	0.9
365.17786	0.8
376.16541	0.8
377.17548	6.3
389.17499	13.1
395.18454	6.4
407.18558	47.4
408.18991	1.0
425.19589	29.5
425.31866	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	425.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96539	0.5
68.98296	0.8
70.06591	1.1
71.02265	1.3
82.99852	2.0
84.08141	1.1
85.02910	1.2
97.02894	1.2
98.97590	0.8
101.00889	14.8
101.88717	0.5
109.02924	0.9
110.97603	0.6
113.00871	2.8
119.01925	14.4
127.02406	3.4
129.00330	0.7
131.01909	6.2
137.02946	0.8
139.02374	1.4
143.01901	36.1
145.03462	7.1
147.01401	0.7
153.04112	0.5
155.00647	0.9
155.01888	14.7
157.03462	6.2
160.07600	3.6
161.02962	37.9
162.03162	0.8
167.01898	11.4
169.03465	3.1
171.05038	2.3
173.02971	16.7
175.04492	1.2
179.01884	4.6
179.03258	0.5
179.03990	0.6
184.04642	1.1
185.02962	30.4
187.04559	3.2
191.02318	0.5
191.03995	3.9
197.02951	10.5
203.04002	12.8
209.02867	1.3
215.03984	6.2
219.01906	0.6
221.05002	1.0
227.04030	7.4
228.04300	0.7
237.02875	0.7
245.05087	100.0
246.05353	1.3
251.02951	2.8
257.05066	5.1
263.06128	22.9
264.06250	0.6
275.06122	14.6
279.03946	0.8
289.42023	0.6
293.07184	3.3
305.07205	10.1
306.07367	0.8
321.04712	0.7
335.08362	3.7
347.08243	0.7
365.09384	9.3
371.15741	0.6
416.97678	0.7
425.10971	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	424.285
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
53.03936	1.4
55.05507	3.3
57.07070	2.2
65.03950	0.9
66.34403	0.8
67.04248	1.0
67.05511	7.1
68.05036	7.5
69.07076	4.0
70.06599	22.3
70.77338	2.3
79.05495	9.6
80.05006	4.6
81.07063	10.1
82.06579	5.8
83.08631	1.3
84.08114	0.9
85.06548	1.5
91.05492	13.2
93.07044	14.1
95.04991	5.7
95.08615	8.1
96.08153	4.1
98.06062	1.2
100.07619	16.1
105.07041	32.2
107.08604	12.7
108.08119	6.6
109.06470	1.1
109.10181	5.0
111.08100	0.9
114.05524	6.0
115.05456	1.6
116.06257	1.1
116.07082	2.6
117.07008	7.4
119.08593	24.4
120.08126	3.0
121.10150	7.6
122.09688	2.0
123.08061	1.2
123.11753	1.0
126.09164	1.5
128.06215	2.9
128.07076	18.0
129.06996	4.1
130.07800	2.5
130.08681	0.8
131.08575	19.0
132.08028	1.0
133.10141	12.2
134.09651	2.2
135.08069	3.2
135.11697	2.9
140.07095	1.2
142.07782	3.2
142.08783	4.9
143.08559	12.6
144.09296	1.3
145.10123	17.8
146.09634	1.6
147.10585	1.2
147.11707	4.8
148.11200	5.9
148.38676	0.9
149.13309	1.1
154.08646	30.6
155.08586	2.5
156.09343	2.8
157.10135	11.2
158.10898	3.2
159.11682	6.3
160.11226	2.6
161.09615	1.8
162.12823	1.0
164.07091	2.1
166.12494	1.0
167.08543	1.6
168.10306	7.1
169.10162	5.9
170.10889	1.8
171.11708	6.4
172.11214	2.2
173.11887	1.0
173.13268	12.0
174.12804	3.8
175.14830	2.7
178.08658	4.1
179.08540	1.0
180.10362	1.8
181.10141	2.3
183.11684	4.0
185.13336	2.6
186.12843	2.6
187.14851	3.1
188.14435	1.3
192.10226	2.4
193.10155	1.4
194.11812	15.7
195.11839	2.1
196.12532	1.1
197.13287	1.5
199.14894	5.8
201.16377	2.3
204.72545	0.9
207.11775	1.4
208.12485	1.1
209.13260	4.9
211.14909	1.8
212.14471	1.0
216.10248	1.9
217.15962	2.0
218.11739	5.1
219.12444	0.9
220.13327	3.6
221.13313	1.8
223.14833	1.6
230.11832	1.3
232.13414	2.7
235.14967	2.4
248.16310	1.1
258.14914	1.5
265.19403	1.9
283.20538	1.1
284.16461	2.2
286.17953	2.7
291.21158	0.9
302.17596	4.0
309.22153	1.5
314.21176	10.4
317.19757	2.3
332.22220	95.2
333.22443	1.8
406.27518	16.3
406.32867	0.7
424.28500	100.0
425.28958	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	424.2849
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
53.03948	1.7
55.05502	2.5
56.80503	0.6
64.18372	0.8
65.39346	0.7
67.05514	5.7
68.05033	8.8
69.07083	3.9
70.06597	20.0
70.76743	2.1
79.05502	8.1
80.05025	4.0
81.07057	9.0
82.06585	4.4
83.08609	1.0
85.06540	1.9
91.05482	11.7
93.07051	11.2
94.06552	0.8
95.04987	4.1
95.08607	5.1
96.08153	3.6
97.06508	2.0
100.07624	13.1
105.04540	0.7
105.07037	27.1
107.08597	10.4
108.08114	5.9
109.10166	3.9
114.05544	6.8
115.05467	1.4
116.07104	3.1
117.07023	7.0
119.08588	20.7
120.08097	3.1
121.10184	6.8
122.09656	2.2
123.11666	0.8
126.09188	1.5
128.06216	2.2
128.07080	14.2
129.07018	3.2
130.07774	2.2
131.08578	15.4
133.10132	12.1
134.09633	1.8
135.08041	3.8
135.11713	3.3
135.13918	0.7
135.38058	0.7
136.11131	0.8
140.07053	1.1
141.06978	0.9
142.07758	2.1
142.08701	7.2
143.08566	8.4
144.09384	1.6
145.09053	0.6
145.10124	16.6
146.09663	1.7
147.08044	0.9
147.11659	3.5
148.11198	3.7
149.09641	1.0
153.06889	0.9
154.08652	25.8
155.08569	2.0
156.09351	2.0
157.10126	9.7
158.09697	0.9
158.10941	1.6
158.73770	0.9
159.11674	5.3
160.11243	2.0
161.09688	1.7
161.13277	1.2
162.12828	1.2
163.11241	0.8
164.07106	2.5
167.08597	1.1
168.10236	6.9
168.75391	0.7
169.10149	5.2
170.10953	1.3
171.11707	5.9
172.11237	2.0
173.13283	9.9
174.12834	3.2
175.14845	1.9
178.08632	3.1
179.08649	1.2
180.10294	1.3
181.10144	2.6
183.11714	4.0
185.13300	2.2
186.12724	1.6
187.14890	1.2
188.14369	1.2
192.10184	2.8
193.10196	1.2
194.11829	15.4
195.11743	2.6
197.13237	1.0
199.14847	4.8
201.16415	1.9
206.11755	1.0
209.13295	4.7
210.72905	0.8
211.14803	1.1
216.10252	2.0
217.15883	2.4
218.11769	3.8
219.12595	2.3
220.13385	4.1
223.14961	1.6
232.13336	2.8
235.14891	1.7
237.16455	0.8
248.16565	0.9
256.13400	1.0
258.14917	0.9
265.19415	2.1
270.14740	1.0
283.20609	1.5
284.16516	1.6
286.17999	1.8
302.17596	3.4
309.22223	1.8
314.21136	7.3
317.19974	1.5
332.22217	93.4
333.22412	1.4
373.97321	0.8
380.16064	0.8
398.91064	0.7
406.27469	9.2
418.37027	0.7
424.28497	100.0
425.28766	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52976	1.9
53.03414	1.8
55.05523	2.3
67.05480	5.8
69.03417	3.7
69.07074	6.9
70.06598	12.8
71.04994	3.6
71.51794	2.4
72.08154	4.8
79.05493	4.7
81.03417	2.7
81.07066	17.6
83.04987	4.0
84.08146	5.3
85.02924	17.4
86.09711	3.2
91.05491	10.4
93.07061	15.3
95.05003	3.8
95.08610	20.2
97.02894	5.4
97.06502	3.4
105.07037	20.9
107.08598	16.6
109.06520	4.4
109.10140	2.7
111.08069	3.6
115.07549	3.8
116.07076	2.7
117.07021	6.9
119.08586	15.1
121.10166	8.5
123.08018	2.3
123.11786	2.1
127.03925	3.0
131.08566	31.0
133.10143	17.8
135.11699	8.1
141.09145	2.2
143.08566	3.9
145.04977	4.4
145.10135	15.1
147.11681	3.6
149.13287	2.4
155.38948	2.1
158.10950	10.1
161.13300	12.0
163.14861	16.8
168.48189	2.1
173.13286	87.4
191.14328	100.0
209.15446	16.1
227.16437	55.4
262.10718	4.1
319.77548	2.0
363.10052	1.9
375.29593	2.0
389.21701	12.4
424.17682	2.6
425.15887	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	424.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.1
55.05504	16.6
56.29411	3.2
60.04528	5.5
67.05496	11.9
69.03429	8.9
69.07064	16.2
70.06601	33.7
71.04987	6.4
71.52097	5.3
72.08150	12.4
79.05511	18.4
81.03425	13.2
81.07066	27.5
83.04971	7.8
83.08617	8.9
84.04505	10.2
84.08146	38.0
85.02906	28.7
85.06527	7.3
85.27003	3.8
85.31935	3.8
86.09708	15.5
91.05478	21.6
93.07050	45.8
95.04984	10.7
95.08621	30.0
97.02885	11.6
97.06530	9.2
99.04462	7.5
99.94195	3.7
102.05549	7.5
105.07053	26.0
107.08624	37.5
107.92104	3.5
109.02934	4.4
109.06519	9.8
109.10207	9.3
111.08092	23.9
116.07124	10.0
117.06992	4.8
119.04940	10.9
119.08588	36.8
120.08084	14.8
121.10154	57.4
123.04411	4.2
123.08104	4.2
123.11690	13.6
127.03918	8.3
128.07080	13.2
129.10265	8.9
131.08580	19.8
133.10132	23.0
135.08043	19.6
135.11719	42.5
136.07611	9.7
137.06017	10.5
144.01141	6.2
145.05011	5.7
145.10109	14.4
147.04422	62.8
147.11688	39.0
149.09628	5.0
149.13164	6.5
153.09108	15.3
153.79102	3.8
157.43369	3.3
158.10951	6.1
159.76889	3.6
161.13292	13.8
163.03922	8.9
163.11183	3.8
163.14861	20.5
166.08562	6.5
173.13246	41.8
179.14316	10.8
191.10815	4.1
191.14328	100.0
209.15401	65.4
216.97835	4.1
234.99026	4.0
262.10660	6.3
274.12634	5.4
294.96503	3.8
303.13504	3.9
365.05463	6.6
379.17484	20.3
383.02625	5.0
424.15179	6.2
424.23462	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	424.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09842	0.5
53.03941	1.6
55.01865	1.1
55.05502	2.0
56.05033	1.2
56.96579	0.5
58.06573	0.9
60.93920	0.5
65.03947	1.2
67.05193	0.7
67.05515	10.4
69.03401	1.2
69.07058	0.8
70.06591	1.4
71.07373	3.9
71.52666	0.9
72.08165	9.6
78.04697	0.9
79.05083	1.2
79.05501	15.7
81.03407	2.1
81.07061	5.2
83.04993	0.6
83.08613	0.6
89.03913	1.0
91.05485	11.4
93.07052	4.7
95.04960	2.9
95.08601	1.4
96.04510	1.0
96.05731	0.7
100.11256	1.4
101.73804	0.5
103.05464	2.2
105.03398	0.6
105.04498	0.8
105.07044	19.5
106.07817	1.4
107.04965	2.6
107.08607	8.7
109.06503	0.9
110.06015	1.0
115.05436	1.2
117.07026	5.5
119.04955	1.0
119.08604	4.5
121.06575	0.7
123.04453	0.8
123.77544	0.5
127.83305	0.5
128.06212	0.9
129.06987	2.0
130.07802	1.5
131.04941	0.8
131.08578	6.4
133.02846	1.8
133.06525	2.6
133.10109	1.3
135.04436	2.5
135.08058	1.4
139.09924	3.9
141.06927	0.6
142.07706	0.5
145.02887	1.1
145.06476	1.7
145.10135	9.7
146.10876	1.0
147.04414	1.4
147.08047	1.3
147.11690	6.6
152.10652	0.8
153.07024	0.9
155.08569	1.6
157.06566	0.9
159.04446	1.9
159.08188	0.6
161.02412	3.7
161.05992	14.5
163.03912	2.8
163.07576	1.1
165.06998	1.2
169.06476	0.5
173.02348	5.2
173.05966	2.6
173.09639	3.9
175.11188	1.5
177.05522	1.1
179.03424	1.3
181.06398	0.6
182.15480	1.3
187.03923	100.0
188.04259	1.4
189.05486	1.0
191.03430	2.1
197.06035	0.9
199.03944	1.4
201.05502	3.5
205.04980	11.0
205.06499	0.4
207.08089	0.7
211.07573	1.5
213.05536	1.5
213.09154	1.6
215.07053	0.6
217.05023	1.2
218.05974	0.8
219.06580	1.4
225.09050	1.0
239.07060	5.4
241.12291	0.8
244.16995	1.7
246.18536	9.7
249.09161	0.7
255.06482	0.9
257.08121	0.7
258.11407	0.8
267.10135	1.6
272.06357	0.9
273.78406	0.5
307.13226	0.8
309.14801	0.7
335.12808	3.5
337.10764	0.5
380.22238	19.7
388.19159	0.7
406.20175	34.4
424.21228	57.1
425.21606	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
55.01863	0.6
55.05487	2.1
56.05017	1.7
58.06582	0.7
65.03918	2.7
67.05506	24.8
69.03416	1.7
69.07053	0.6
70.06570	1.7
70.64605	1.3
71.07376	5.0
72.07760	0.8
72.08155	16.1
79.05493	25.7
80.06239	0.8
81.03394	2.5
81.07055	3.6
91.05481	9.2
93.07072	3.1
95.04966	3.1
95.08590	1.6
96.04468	1.7
103.05460	2.7
105.07032	20.8
106.07828	2.9
106.08427	0.6
107.04935	2.6
107.07880	0.9
107.08598	18.0
109.06487	0.7
109.10114	0.6
111.06826	0.6
113.00460	0.6
115.05439	0.9
117.03437	0.6
117.07004	4.1
119.04917	1.5
119.08567	2.5
121.06483	1.0
121.10141	0.6
123.04495	0.6
124.07576	0.8
129.06982	1.5
130.07797	0.8
131.04883	1.6
131.08592	4.5
133.02815	0.9
133.06441	2.7
133.10132	1.2
135.04420	3.0
135.07985	1.0
139.09952	5.8
141.07001	1.3
143.04918	0.7
143.08652	0.6
145.02881	1.4
145.06461	2.3
145.10103	4.4
147.04411	2.0
147.08018	1.8
147.11667	2.6
149.13277	1.0
152.10640	0.6
155.08502	1.1
157.06482	1.7
159.04483	2.8
159.08107	0.7
161.02348	4.2
161.05986	13.8
163.03897	4.2
163.07553	3.0
165.07033	1.1
167.08464	0.8
171.08037	1.1
173.02353	4.6
173.05959	2.8
173.09563	3.1
174.06763	1.3
174.10345	1.0
175.03790	0.7
175.07503	1.7
175.11200	2.7
177.05475	2.3
179.03400	1.8
181.06506	0.7
183.08080	0.7
185.06029	1.0
187.03908	100.0
188.04288	1.0
189.05444	2.7
189.09102	0.6
190.06087	0.7
191.03384	1.8
195.07886	0.6
197.05984	1.4
197.09586	0.7
199.07484	0.9
201.05516	5.1
205.04962	7.9
206.15425	1.8
211.07552	2.5
213.05469	1.1
213.09145	1.3
215.07002	1.5
217.05031	1.4
218.05760	1.9
219.06511	2.0
221.05891	0.7
221.09601	1.7
223.11209	1.0
224.08267	0.9
225.09117	1.9
227.07082	0.9
229.08479	0.7
239.07001	4.0
239.10719	1.7
241.04927	0.9
241.08678	0.9
241.12262	4.1
244.17015	2.3
246.16052	1.0
246.18556	15.1
249.09067	1.8
258.11203	1.4
264.11688	0.7
267.10165	5.6
272.06155	0.7
275.10965	0.7
285.11240	0.9
307.13290	1.4
309.15005	0.7
317.11624	0.8
335.12756	3.5
336.72702	0.6
377.38556	0.6
380.22198	21.5
388.19019	1.0
406.20129	32.8
424.21231	64.9
425.21570	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.212
Annotation	Lagerine
Peak:m/z	Relative Intensity
51.02387	0.5
53.03938	0.8
55.01865	0.6
55.05517	2.6
56.05051	1.8
58.06603	0.5
65.03952	2.6
65.77079	0.2
67.05509	22.9
68.02645	0.5
69.03432	1.5
69.07028	0.4
69.27586	2.4
70.06584	1.5
71.07378	5.5
72.08160	14.3
77.03950	0.5
78.04685	0.5
79.05498	25.0
80.06280	0.5
81.03416	1.8
81.07068	2.9
83.04984	0.7
86.90493	0.3
89.03922	0.5
91.05488	10.9
93.07050	2.9
95.04982	2.5
95.08597	1.2
96.04469	1.3
96.05743	0.9
98.06075	0.6
103.05476	2.2
105.03397	0.4
105.04545	0.4
105.07039	20.2
106.07828	3.2
107.04971	2.3
107.08602	16.5
109.06496	0.8
109.10091	0.3
110.06059	0.8
111.06826	0.4
115.05495	0.7
117.03397	0.5
117.07041	3.7
119.04935	0.7
119.06112	0.4
119.08601	2.9
121.06503	1.0
121.10120	0.4
123.04403	0.5
124.07581	1.3
128.06221	0.6
129.06998	1.2
131.04947	1.4
131.08585	3.9
132.05650	0.3
133.02861	1.9
133.06531	2.4
133.10149	1.8
135.04416	2.7
135.08028	0.9
137.05975	0.4
139.09937	6.7
141.06989	0.6
143.08578	0.9
145.02856	0.9
145.06491	1.8
145.10127	3.7
146.10957	0.5
147.04436	1.9
147.08063	1.0
147.11688	2.6
148.80157	0.3
149.13284	0.6
152.06194	0.3
152.10712	0.5
153.07028	0.7
155.06030	0.4
155.08583	0.9
157.06516	1.1
159.04451	1.5
159.08054	0.8
161.02359	4.2
161.05989	14.2
163.03926	3.1
163.07573	2.6
165.06976	0.7
165.11470	0.5
167.08575	0.6
169.06538	0.5
169.10109	0.3
171.08081	0.6
173.02353	5.8
173.06020	1.5
173.09647	3.7
174.06802	0.3
174.10439	0.6
175.03906	1.0
175.07588	1.1
175.11221	1.4
177.05482	1.4
178.07742	0.3
179.03413	2.6
179.08604	0.2
181.06386	0.6
183.08142	0.8
185.06007	1.0
187.03915	100.0
187.91231	0.3
188.04312	1.0
189.05484	1.8
189.09126	0.6
191.03400	2.8
193.06577	0.4
195.08038	0.4
197.05995	1.2
197.09607	0.4
198.06770	0.7
199.03925	0.7
199.07579	0.9
199.11176	0.6
201.05495	4.6
203.08601	0.3
205.04977	6.4
205.06721	0.6
205.10333	0.3
206.07292	0.4
206.15483	1.4
211.07518	2.0
213.05504	1.2
213.09113	1.3
215.07098	1.0
215.10780	0.5
217.04967	0.7
218.05771	2.1
219.06487	3.1
221.09604	0.7
223.07570	0.3
223.10915	0.4
225.09167	2.0
227.07083	0.5
227.10622	0.3
239.07040	4.1
239.10664	1.6
241.04898	1.1
241.08580	0.7
241.12263	3.4
244.16930	1.9
246.18550	14.0
247.18762	0.4
249.09178	0.8
255.06578	0.7
257.08145	0.8
258.11301	0.8
265.12292	0.4
267.10196	4.4
281.15353	0.3
285.11209	1.1
291.10321	0.3
291.13956	0.5
295.16452	0.3
307.13287	0.7
309.14905	0.9
317.11826	0.5
335.12738	3.4
378.51224	0.3
380.22208	19.1
381.22556	0.4
388.19189	0.7
406.20154	28.6
407.20471	0.8
424.21210	58.0
425.21329	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
53.03925	1.0
55.01861	1.1
55.05518	2.2
56.05017	1.3
58.06596	0.5
62.48548	0.3
65.03949	1.6
67.05511	10.6
68.02634	0.4
68.05030	0.3
69.03416	0.9
69.07062	0.4
69.79620	1.4
70.06591	1.5
71.07383	3.3
72.08166	9.1
73.12221	0.3
78.04723	0.3
78.84007	0.3
79.05499	15.2
81.03438	1.5
81.06653	0.4
81.07067	3.6
83.04958	0.5
89.03924	0.6
89.44484	0.2
90.19379	0.3
91.05490	11.8
92.06261	0.4
93.07050	3.4
95.04978	3.4
95.08609	0.8
96.04475	1.0
96.05698	0.5
97.05235	0.3
97.06538	0.7
98.06061	0.8
100.07618	0.4
103.05499	1.8
105.03358	0.5
105.04504	0.4
105.07040	18.2
107.04958	2.5
107.08604	8.5
109.06523	0.7
110.06069	0.3
111.06821	0.5
113.00095	0.3
115.05439	1.2
117.03357	0.7
117.06230	0.4
117.07027	5.4
119.04952	0.6
119.08595	3.5
121.06487	0.7
121.10149	0.5
123.04504	0.3
124.07600	0.8
128.06242	0.7
128.07085	0.4
128.57286	0.3
129.06993	1.9
130.07794	1.4
131.04915	1.2
131.08585	5.9
133.02852	1.3
133.06491	2.4
133.10152	1.7
135.04417	2.5
135.08034	0.9
137.06010	0.6
139.09927	2.9
143.08566	1.2
145.02838	1.2
145.06519	1.7
145.09059	0.6
145.10133	9.3
146.10890	1.3
147.04433	1.4
147.08040	1.2
147.11691	5.8
149.06038	0.4
149.13243	0.5
151.03870	0.5
151.11246	0.5
152.10773	0.4
153.06955	0.7
155.06032	0.4
155.08575	1.1
157.06461	0.5
157.10114	1.0
158.07303	0.4
159.04437	2.0
159.08078	0.7
161.02359	3.7
161.05992	13.1
161.09622	0.3
163.03940	3.5
163.07552	0.7
164.10757	0.5
165.07030	0.9
167.08519	0.4
169.06616	0.3
171.08023	0.6
173.02354	5.1
173.05974	2.7
173.09648	4.9
174.10390	0.9
175.03960	0.6
175.07547	1.0
175.11256	1.4
177.05516	0.8
178.07748	0.3
179.03436	1.4
179.08578	0.3
180.83966	0.3
181.06534	0.5
183.04434	0.3
183.08069	0.4
185.05997	0.6
187.03918	100.0
188.04277	1.1
189.01851	0.3
189.05478	1.3
191.03357	1.8
194.11752	0.6
195.08098	0.4
197.05969	1.2
199.03842	0.9
199.07579	0.4
200.08330	0.3
201.05467	3.8
205.04985	12.4
211.07610	1.7
213.05438	1.0
213.09055	1.2
215.07149	0.7
217.04916	0.8
218.05684	0.7
219.06465	0.9
221.05992	0.4
221.09802	0.3
223.11098	0.3
225.09099	0.7
227.07085	0.6
230.15376	0.3
231.06387	0.6
239.07039	5.7
239.10686	0.4
241.08641	0.5
241.12241	1.4
244.16953	2.2
245.17747	0.8
246.18542	7.2
249.09209	0.6
258.11276	0.4
267.10168	1.8
272.06357	0.5
275.10660	0.4
281.15170	0.3
285.11206	0.6
307.13342	0.6
309.15021	0.9
314.21072	0.3
317.11642	0.6
317.60281	0.3
332.22357	0.4
335.12769	3.2
346.67242	0.3
380.22220	17.6
381.22479	0.5
388.19293	0.9
406.20154	29.7
424.21234	55.3
425.21371	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18633	0.8
53.03959	5.4
55.01875	2.6
55.05265	1.0
55.05516	11.7
56.05032	2.1
58.06599	1.4
65.03945	4.5
67.05512	28.3
69.03419	1.6
69.07065	2.5
70.04092	3.1
70.06599	5.2
71.07376	3.8
72.08163	38.7
76.22481	0.7
77.03936	1.0
79.05499	39.9
80.06271	1.1
81.03423	9.5
81.07065	22.5
83.04991	2.2
83.08605	1.6
84.08167	1.1
88.04958	0.7
89.03941	1.0
90.41212	0.7
91.05489	44.3
92.06275	2.8
93.03387	1.1
93.07052	16.9
95.04978	24.3
95.08611	4.4
96.04485	1.5
98.06075	3.9
100.11263	3.3
103.05464	4.6
104.06260	3.2
105.03404	2.3
105.04530	1.1
105.07041	55.1
106.07841	1.0
107.04958	6.8
107.08607	26.2
109.06524	2.6
110.06025	1.2
110.09694	1.2
111.04482	1.1
111.06831	0.8
111.81066	0.8
115.05475	5.2
116.06235	1.7
117.03365	1.0
117.07030	32.1
117.07864	1.9
118.07811	2.3
119.04948	2.8
119.08591	14.5
120.05714	0.7
120.08106	1.0
121.06504	1.6
121.10152	2.8
123.04436	1.1
123.80689	0.7
124.07627	1.4
128.06221	3.1
129.07013	7.6
130.07825	9.0
131.04939	3.3
131.08580	32.3
132.09325	0.7
133.02853	5.6
133.06520	4.4
133.10184	4.0
133.69289	0.8
134.09708	0.7
135.04424	3.0
135.08047	1.2
135.11688	1.1
137.06047	1.7
139.09923	7.3
141.06996	1.2
143.04912	0.9
143.06541	0.8
143.08548	6.0
144.05733	1.4
145.02898	1.6
145.06494	6.6
145.10138	77.9
146.07272	0.8
146.10921	21.0
147.04362	4.4
147.08083	1.9
147.11705	34.6
148.12555	0.9
149.05920	1.5
149.13275	2.5
151.03909	1.2
152.06352	0.9
153.06960	2.2
154.07852	0.9
155.06081	1.3
155.08551	3.5
157.06454	1.2
158.07205	1.3
159.04446	2.7
159.08096	2.7
161.02408	3.7
161.06000	2.1
161.09673	0.9
163.03935	12.3
165.06981	1.2
167.08578	1.3
169.06569	2.4
169.10120	0.9
171.04425	1.5
171.08040	1.3
173.02364	40.6
173.05992	6.5
173.09628	16.3
174.10455	4.3
175.03894	2.1
175.07574	1.3
175.11240	5.0
177.05392	0.9
178.07791	1.2
179.03432	1.2
179.08632	3.9
181.06488	2.2
182.15430	1.0
183.04462	1.7
183.08067	2.0
183.15727	1.1
185.05977	1.6
185.09662	1.4
187.03928	9.4
187.07477	1.1
190.12248	1.0
191.03419	16.0
195.08145	1.1
197.05946	1.6
197.09567	1.2
199.03928	20.1
199.07596	2.3
201.05508	5.3
201.09120	1.3
204.04269	1.5
207.08124	1.3
209.16531	0.9
210.06693	0.8
210.14961	1.2
211.07510	1.8
211.15341	0.9
213.05476	2.1
213.09172	2.3
215.07025	1.2
216.13829	1.2
217.04985	11.3
221.06194	1.0
221.09653	1.1
223.07564	1.3
225.05475	1.3
225.09184	1.9
227.07118	4.3
227.10507	1.7
230.15355	0.9
235.07581	1.7
237.05460	1.9
239.07094	5.0
241.08681	3.0
241.12231	1.6
244.17032	5.2
245.08145	1.9
245.17821	6.8
246.18555	53.3
251.07082	2.1
253.04890	1.0
253.05766	1.3
253.08614	21.7
257.07959	3.9
261.12997	1.0
265.08545	1.1
265.12610	0.9
265.15622	0.8
266.24728	1.0
267.06497	1.2
267.10110	1.2
269.08148	2.0
281.15402	1.4
289.12415	1.9
291.10239	0.8
298.14420	9.5
307.13306	9.8
309.14703	3.7
317.11621	1.9
324.12341	2.2
324.16129	2.1
325.14368	8.5
327.15869	1.3
335.12808	8.1
353.13852	4.6
360.29773	3.2
380.22232	26.5
380.27054	1.4
388.19296	1.3
406.20184	43.9
407.20740	1.4
423.82751	1.1
424.21216	100.0
425.21481	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	424.2121
Annotation	Lagerine
Peak:m/z	Relative Intensity
53.03934	1.6
55.01869	0.9
55.05503	2.1
56.05014	1.6
58.06610	0.9
65.03928	1.8
67.05511	20.7
68.02662	0.8
69.03412	1.6
69.07060	0.6
70.06590	0.9
70.83342	1.0
71.07378	6.4
72.08163	12.5
79.05499	22.7
80.06276	0.6
81.03406	1.4
81.07066	3.6
83.04980	0.6
85.37030	0.4
89.03870	0.6
91.05488	12.2
93.07046	2.8
95.04975	3.1
95.08595	1.0
96.04488	1.1
96.05751	1.2
98.06063	0.8
98.20805	0.5
103.05467	2.6
104.55206	0.5
105.03374	1.1
105.04481	0.6
105.07040	21.1
106.07818	2.2
107.04958	2.8
107.08607	16.4
109.06538	0.9
109.10133	0.5
110.06004	0.7
115.05441	1.2
116.06187	0.5
117.07033	4.9
119.04921	0.7
119.08599	3.2
121.06448	1.2
123.04412	0.6
124.07594	0.7
129.07002	1.9
130.07819	1.0
131.04933	1.1
131.08592	4.6
133.02856	2.0
133.06512	3.0
133.10103	2.9
135.04410	3.9
135.08031	0.8
137.05980	0.6
139.09940	8.0
143.08562	1.0
145.02847	1.7
145.06485	1.5
145.10155	5.2
146.10893	0.6
147.04411	1.3
147.08052	1.6
147.11726	4.0
155.05974	0.6
155.08560	1.1
159.04405	2.1
160.06374	0.6
161.02367	5.4
161.05992	12.1
163.03912	3.7
163.07578	2.0
165.06995	0.6
165.09172	0.5
167.08537	1.0
173.02354	5.1
173.05984	2.1
173.09660	4.4
174.10434	0.9
175.03947	0.7
175.07526	1.5
175.11192	2.4
177.05429	1.3
179.03421	1.8
184.83875	0.5
185.05997	1.2
187.03922	100.0
188.04315	0.9
189.05450	3.1
189.09097	1.0
191.03383	1.6
193.09955	0.6
197.06049	0.9
201.05475	4.6
205.04974	4.8
206.15355	1.0
207.08154	0.7
211.07608	1.6
213.05495	2.1
213.09042	1.3
215.07062	0.6
217.04903	0.8
218.05728	1.7
219.06465	1.7
221.09547	0.7
225.09071	1.1
239.07030	3.6
239.10686	1.4
241.04955	0.7
241.08696	0.9
241.12285	3.0
244.17050	1.7
246.16052	1.1
246.18564	18.3
249.09190	1.2
258.11292	0.8
267.10239	4.4
272.06357	1.1
278.64313	0.6
280.63745	0.6
285.11313	0.9
307.13388	0.6
311.16422	0.7
335.12827	5.0
369.74539	0.6
380.22211	21.2
381.22559	0.8
388.18997	1.0
406.20142	30.8
424.21225	55.0
425.21826	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
53.10260	1.5
54.16073	1.3
55.05512	22.0
57.03420	1.4
57.07085	8.2
58.43307	1.3
59.05005	3.3
65.03945	1.9
67.05177	2.5
67.05508	33.3
69.03436	1.4
69.07069	48.5
69.95341	5.8
71.04998	11.0
71.08621	2.5
73.06570	1.5
79.05495	26.2
81.07062	85.9
83.08624	13.4
85.06519	2.0
91.05484	25.8
93.07050	66.5
95.04961	1.8
95.08617	72.1
97.06515	2.7
97.10158	5.7
98.21485	1.8
99.08076	3.1
105.07039	62.6
107.08600	80.9
109.06521	2.7
109.10165	62.9
111.08095	2.0
111.11711	4.2
117.07010	10.8
117.45589	1.4
119.08589	64.8
121.10152	51.7
123.08036	1.8
123.11716	28.6
123.15598	1.6
125.09628	3.6
127.11181	10.6
129.06995	4.5
130.07817	3.9
131.08586	24.1
133.10138	49.7
135.11693	53.7
137.09721	1.9
137.13261	9.1
139.11221	1.9
142.07741	2.8
143.08549	10.6
144.09337	4.1
145.10129	41.6
146.10971	1.6
147.11703	44.3
148.77859	1.4
149.13264	23.7
153.12729	5.4
155.08614	3.2
156.09290	2.0
157.10144	14.5
158.11021	1.8
159.11705	44.0
161.13283	24.9
163.14912	8.6
165.12794	2.3
169.10152	2.3
171.11742	10.6
172.12488	2.4
173.13261	26.9
175.14830	40.5
177.16389	9.0
183.11690	5.1
185.13268	14.0
187.14825	18.7
189.16393	30.7
191.17969	6.7
193.15895	2.7
195.17403	2.5
197.13336	4.1
199.14771	10.5
201.16418	21.3
203.17960	10.7
205.15863	1.7
207.17345	2.9
211.14929	3.1
213.16383	15.0
214.16795	1.6
215.17946	24.5
217.19501	8.3
220.43980	1.5
225.16380	4.5
227.18031	10.7
228.18655	1.9
229.19545	7.9
231.21014	2.9
232.75218	1.8
239.18063	2.2
241.19534	3.7
243.21048	2.7
253.19498	3.6
255.21136	5.6
257.22723	5.8
267.21048	4.2
269.22641	7.1
271.06161	3.2
281.22684	3.6
283.24225	9.0
286.17761	4.7
287.18115	5.0
295.24020	2.4
299.23764	3.4
337.28845	6.4
341.28320	2.0
349.28915	1.8
367.30014	2.4
370.52237	1.7
395.36475	1.8
405.35123	17.7
423.30930	7.3
423.36206	100.0
424.36441	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3624
Annotation	Cornusalterin D
Peak:m/z	Relative Intensity
54.92997	1.9
55.05518	14.3
57.07063	5.0
67.05506	23.7
67.55679	2.1
69.07066	30.6
70.77495	3.8
70.77835	3.1
71.04972	7.6
79.05498	16.5
81.07070	56.9
83.04969	2.1
83.08632	12.0
85.06538	2.5
91.05493	15.1
93.07052	40.2
95.08619	58.1
97.06503	3.3
97.10165	6.2
105.07049	34.6
107.08607	49.0
109.06495	5.1
109.09469	3.4
109.10168	47.4
111.11681	1.9
117.07008	4.7
119.08591	37.2
121.10155	45.7
123.08049	7.2
123.11728	22.8
125.09687	1.8
127.11203	10.3
129.06995	3.5
131.08560	14.7
133.10143	31.8
135.08052	2.7
135.11708	40.9
137.13281	9.2
143.08549	10.6
145.10127	23.2
147.11697	27.9
149.13255	16.6
153.12750	4.4
155.08542	2.7
157.10158	11.3
159.11722	31.3
159.55786	1.8
161.13283	20.6
163.14822	5.9
167.14310	2.6
169.10159	2.3
171.11687	7.2
173.13287	14.3
175.14845	20.2
177.12706	2.1
177.16411	10.1
179.14337	7.6
183.11691	4.3
185.13295	10.5
187.14870	13.3
189.16432	15.0
191.17992	5.3
193.15753	2.7
197.13293	3.0
199.14865	11.9
201.16406	15.6
203.17979	15.7
207.17442	2.7
211.14847	4.4
213.16377	10.9
215.17986	14.3
217.19490	5.7
225.16472	4.2
227.18011	9.7
229.19449	10.4
231.21048	2.9
233.18924	2.4
239.17912	3.5
241.19492	3.5
243.21059	5.8
253.19559	5.2
255.21019	6.2
257.22607	4.2
267.21255	2.8
269.22589	7.2
271.24274	2.8
278.20441	2.1
281.22614	6.1
283.24268	11.9
287.18073	4.2
297.25769	2.9
313.25296	2.9
323.27267	4.0
331.26242	4.5
337.28790	6.5
341.28275	2.3
349.29050	3.0
362.34106	2.1
367.29892	4.9
405.35284	24.8
423.30942	15.5
423.36188	100.0
424.36548	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	423.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.05516	17.2
57.03439	1.7
57.07074	5.4
65.03966	2.4
67.05506	26.8
69.06728	2.8
69.07073	34.5
70.11018	4.9
71.05009	9.7
79.05495	18.1
81.06586	3.7
81.07061	63.8
83.08625	15.6
85.06557	2.3
89.66821	1.5
91.05479	14.6
93.07050	43.5
95.04977	3.3
95.08614	62.0
97.06545	3.7
97.10186	7.2
97.67141	1.6
98.21458	2.5
99.08122	2.4
105.06528	1.0
105.07038	41.7
107.08602	50.8
107.09310	3.0
109.06543	7.5
109.10166	60.5
111.08073	4.8
111.11728	2.3
113.09702	1.9
117.07034	6.2
119.08595	43.4
121.10152	49.8
123.08076	29.8
123.11716	25.8
125.09634	2.2
127.11243	13.0
129.06982	2.7
131.08571	18.1
133.10133	31.5
135.08067	5.3
135.11708	35.0
135.26299	1.5
137.09668	2.0
137.13284	7.5
139.11212	2.5
142.07785	3.3
143.08578	9.4
144.09364	2.4
145.10136	31.4
147.11690	33.1
149.13274	15.0
151.11389	1.7
151.14825	2.3
153.12762	4.8
157.10144	14.0
159.11702	42.7
161.13293	15.6
163.14854	6.5
168.08701	1.6
171.11697	13.5
173.13274	24.2
175.14882	16.8
177.16383	9.4
179.14340	13.3
183.11757	6.2
185.13290	13.5
186.06049	1.8
187.14841	19.1
189.16400	15.5
191.18010	4.9
197.13284	3.2
199.14825	7.5
201.16385	14.6
203.18018	11.4
207.17542	2.0
211.14836	3.1
213.16428	13.0
215.17943	17.8
217.19606	5.6
219.17360	1.9
225.16380	3.1
227.17842	11.6
229.19395	11.7
241.19560	4.0
243.21156	4.4
253.19551	4.5
255.21112	8.0
257.22610	8.7
267.20947	2.6
269.22653	7.5
271.05899	2.3
275.20044	2.2
281.22778	4.5
283.24207	10.5
284.16269	1.9
295.24353	2.4
303.26871	3.9
315.26874	2.2
321.25900	1.9
331.26321	21.9
337.29041	5.7
341.28482	3.2
349.27197	3.8
367.25064	2.8
367.29694	3.2
405.35229	10.3
423.30933	84.6
423.36295	100.0
424.36465	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.3
53.03958	1.1
54.22126	0.8
55.05512	12.6
57.03431	2.3
57.07080	8.0
60.82170	0.9
65.03942	1.2
67.05173	1.5
67.05508	18.9
69.07069	23.8
71.04990	4.2
71.08621	4.1
71.53176	1.7
79.05074	1.2
79.05495	12.8
81.07061	44.4
83.04993	1.3
83.08617	7.6
85.06538	4.1
85.10188	1.5
89.06048	1.4
91.03890	0.8
91.05484	11.1
91.07102	0.8
93.07051	29.9
95.04968	1.1
95.08610	39.8
95.37228	0.8
97.06534	2.6
97.10178	5.4
99.08082	3.4
103.58665	0.8
105.07037	22.7
107.07871	1.7
107.08596	31.4
109.06515	13.6
109.10160	30.8
109.10918	1.3
111.11749	2.2
117.06991	5.3
118.96342	0.8
119.08591	24.5
121.10155	22.9
122.07342	1.0
123.08077	24.1
123.08966	1.8
123.10843	1.1
123.11707	14.0
125.09637	2.1
127.11206	8.2
129.06982	2.2
131.08592	8.5
133.10135	20.7
135.08051	5.3
135.11694	19.3
137.09619	2.3
137.13252	4.4
139.11192	1.9
141.06972	1.1
141.12767	0.9
142.07733	1.4
143.08556	5.9
144.09409	1.0
145.10133	16.3
147.11694	18.9
149.09618	1.7
149.13297	8.2
153.12706	3.2
155.08551	1.4
156.09361	0.9
157.10136	12.8
158.10947	1.4
159.11711	21.5
161.13268	9.6
163.14830	4.3
165.12834	1.7
167.14389	1.6
169.10138	2.6
171.11717	8.4
172.12440	1.3
173.13264	13.6
175.14812	8.9
177.16418	4.4
179.14317	74.2
180.14513	0.9
183.11681	3.6
183.39848	0.9
185.13297	6.9
187.14833	9.2
189.16365	7.6
191.14319	1.4
191.17934	1.6
193.15880	3.5
197.13257	2.6
197.69513	1.0
199.14821	6.5
201.16402	11.1
203.17903	6.4
205.15903	3.2
205.19664	0.9
207.17484	1.0
209.13255	1.3
211.14812	3.0
213.16438	8.5
215.17995	9.1
217.19543	2.7
225.16348	2.5
227.17979	6.3
229.19505	5.1
231.20959	0.9
233.19096	1.3
239.17935	1.7
241.19611	3.3
243.20979	2.0
245.19069	1.4
253.19441	2.1
255.21066	4.2
257.22586	3.0
269.22552	4.4
271.06058	2.4
271.24219	1.0
275.20132	1.3
281.22571	2.7
283.24252	4.8
285.25711	1.3
287.23691	1.3
295.24313	2.6
297.25824	1.2
299.23807	1.9
309.25797	1.1
313.25320	1.2
323.27219	1.5
325.28891	1.1
331.22421	1.4
331.26312	22.0
337.28799	3.3
349.27261	5.9
367.30032	1.3
405.30402	1.5
405.35022	6.0
423.30917	100.0
423.36249	55.1
424.31345	2.7
424.36420	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3622
Annotation	glochidone
Peak:m/z	Relative Intensity
53.03637	1.7
53.03917	2.3
54.89072	1.5
55.05503	7.0
57.07062	2.6
59.04994	1.7
67.05511	11.5
69.07080	15.8
69.82684	5.7
69.83099	4.1
71.05006	9.6
71.05344	1.4
71.08603	2.8
71.33485	1.5
75.91351	1.8
79.05489	8.2
81.07059	31.6
83.08611	7.0
88.81210	1.6
89.06059	3.2
91.05461	8.2
93.07055	16.2
95.08614	41.4
97.10148	2.7
98.21482	3.9
99.08109	3.2
105.07038	22.2
107.08604	32.8
109.10160	31.6
117.07010	4.0
119.08592	28.2
121.10149	27.2
123.11710	19.0
123.23225	1.7
127.11217	14.1
129.07039	2.7
131.08589	13.1
133.10146	23.9
135.11682	19.4
137.13240	5.6
142.07870	2.5
143.08575	7.7
144.09256	2.3
145.01968	2.0
145.10143	18.9
147.11674	18.2
149.13280	7.6
153.12752	3.1
157.10147	14.5
159.11702	21.6
161.13274	13.0
163.14812	5.7
171.11711	13.7
173.13278	15.0
175.14883	13.7
177.16405	4.7
183.11688	3.8
184.12558	2.0
185.13263	13.6
187.14853	20.7
189.16440	10.5
191.17996	7.0
197.13274	5.2
199.14841	10.1
201.16434	13.9
203.17975	4.2
206.22878	1.9
211.14856	5.0
213.16391	14.4
215.17987	8.5
225.16365	2.1
227.17929	20.2
229.19569	7.3
231.21165	2.3
239.18074	2.1
241.19592	7.6
243.21155	3.8
253.19536	4.0
255.21111	5.6
257.22748	6.1
267.21161	3.1
269.22650	5.4
271.05878	2.8
281.22565	3.6
283.24210	13.6
295.24271	3.7
297.25922	2.0
337.28635	9.1
362.33865	2.4
381.30893	2.1
405.35278	12.3
423.36252	100.0
424.36606	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	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03457	0.6
53.03934	1.1
55.01879	1.0
55.05513	5.8
57.03442	2.0
57.07063	1.2
59.05017	0.7
67.05232	0.6
67.05513	6.7
69.07076	7.7
70.91386	1.2
71.04994	1.6
71.08638	1.5
79.05497	4.5
81.07063	10.9
83.05000	1.3
83.08627	4.0
85.06545	1.6
91.05489	4.1
93.07051	7.9
95.08055	1.0
95.08616	10.0
97.06538	2.3
97.10188	1.2
105.07042	5.0
107.08611	7.9
109.06528	9.0
109.10179	6.1
111.08097	2.3
117.07055	1.2
119.08588	6.5
121.10154	5.2
122.07258	0.8
123.08077	43.7
123.11721	1.9
125.09696	0.8
131.08568	1.4
133.10139	4.5
135.08058	6.0
135.11688	3.0
137.09647	2.4
137.13271	1.0
143.08604	0.8
145.10129	3.0
147.11690	3.1
149.09624	2.4
149.13264	2.6
157.10164	0.8
159.11696	4.4
161.13310	1.6
163.11157	0.8
163.14774	1.1
165.12868	0.7
167.14267	0.6
171.11656	1.1
173.13303	1.6
175.14767	1.1
177.12775	2.6
179.14325	19.8
179.22189	0.6
191.14212	0.7
193.15936	0.8
213.16602	0.6
233.19075	1.3
247.20648	1.0
263.20154	1.8
275.20029	4.1
293.21088	3.7
303.26901	3.5
313.25345	1.1
331.26340	26.5
337.44272	0.5
349.27362	5.8
349.68158	0.6
367.24789	2.4
375.29080	0.8
386.83261	0.5
405.30063	1.4
423.31094	100.0
424.31500	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.3
55.01871	6.5
55.05514	32.7
57.03436	12.8
57.07059	6.8
65.03946	3.5
67.05508	100.0
69.03432	33.9
69.07071	27.8
70.58443	7.7
71.01361	4.9
71.04979	9.9
73.02899	4.3
79.05497	68.3
79.44599	2.4
81.03425	40.9
81.06587	5.2
81.07061	92.7
83.04965	12.8
83.08645	12.9
85.02930	16.0
85.06516	6.4
91.05490	64.7
93.07051	85.8
95.05000	13.0
95.08611	66.4
97.02911	14.5
97.06529	12.2
97.10151	7.2
99.04451	7.2
99.08134	2.9
103.03947	5.2
104.78858	3.0
105.04523	3.0
105.07041	59.0
107.04957	7.5
107.08604	47.6
109.02867	5.3
109.06502	11.6
109.10162	38.4
111.04424	10.7
111.08080	5.1
115.05394	2.8
117.07021	29.9
119.08585	48.2
121.06506	11.3
121.10161	37.3
122.83468	3.4
123.04419	5.1
123.08070	12.3
123.11739	13.9
127.03870	7.4
129.05542	3.4
129.07004	18.3
131.08559	35.0
133.06459	5.2
133.10127	34.6
135.08018	9.4
135.11716	29.5
137.05991	27.9
137.09610	6.3
139.11159	4.4
141.06955	6.8
142.07788	3.8
143.08560	16.2
144.09270	3.3
145.06491	6.5
145.10121	31.9
147.08057	6.1
147.11667	27.8
149.09596	8.3
149.13237	17.5
151.07591	13.2
151.11150	5.2
155.08559	9.3
157.06508	7.8
157.10100	11.0
159.08061	4.0
159.11713	24.1
161.05893	3.2
161.09630	5.1
161.13255	18.4
163.14838	7.1
167.08543	4.7
169.10150	8.2
171.07977	4.1
171.11606	13.7
173.09666	4.7
173.13263	20.1
175.07536	3.8
175.11238	3.4
175.14816	6.3
177.12785	5.0
179.14398	13.5
181.10048	3.3
183.11693	4.6
185.09627	3.0
185.13202	9.0
187.07561	5.3
187.11157	4.2
187.14833	7.4
189.09096	4.4
191.14320	4.2
195.11679	4.0
197.13254	4.6
199.14789	6.8
201.09091	7.6
201.16457	3.2
205.12202	4.4
205.15880	3.5
213.16385	4.5
219.10141	4.2
233.15274	2.7
239.14426	4.0
241.08688	5.9
241.19533	7.3
243.13766	2.9
243.21091	5.3
247.07515	5.1
259.20511	18.5
261.09143	5.2
261.22174	25.4
269.08075	9.7
269.11966	4.3
271.20218	3.2
273.22177	6.0
275.23578	3.5
277.21579	10.8
283.20508	3.4
285.21912	3.1
289.21597	8.5
291.10095	5.7
291.23154	8.1
297.11337	3.8
301.21631	7.0
303.23187	15.0
303.26437	3.7
305.11707	4.5
309.11322	3.5
309.22055	4.3
313.21622	3.6
315.23190	9.4
317.21021	3.5
319.22604	5.2
321.11200	5.1
327.23270	5.7
331.22473	3.3
331.26263	6.4
337.14474	3.6
339.12277	3.9
339.23456	3.1
341.24655	5.5
345.24203	6.1
351.23145	11.9
352.16669	8.2
363.25711	3.7
369.24243	33.1
387.25433	30.8
405.16608	5.2
405.21234	5.2
405.26248	39.7
423.17548	6.3
423.27243	22.2
423.31342	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	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.7
55.01871	10.2
55.05304	2.6
55.05514	26.9
56.90756	2.8
57.03426	11.5
57.05923	2.5
57.07078	6.3
61.46098	2.6
62.10036	2.8
65.03941	4.2
67.05511	92.5
69.03438	21.6
69.06730	4.2
69.07075	40.5
69.92618	12.5
71.01349	2.4
71.05000	13.2
71.08627	2.8
72.51476	2.6
73.02909	4.4
79.05499	76.8
81.03422	25.8
81.07064	100.0
83.04993	5.4
83.08633	13.1
85.02907	9.0
85.06535	4.1
89.11151	3.2
91.05489	49.8
93.07053	99.6
93.07640	5.5
95.04979	10.9
95.08614	85.4
97.02903	99.2
97.06532	10.7
97.10157	6.7
98.21493	5.6
99.04456	26.2
99.08099	3.2
101.02383	3.1
105.07039	41.5
107.04937	4.5
107.08601	52.6
109.02877	16.2
109.06525	11.2
109.10172	40.9
111.08114	2.8
117.07005	17.5
119.08587	41.0
119.83530	2.9
121.06535	6.3
121.10151	48.8
123.08070	27.9
123.11720	12.4
125.79410	3.1
127.03930	41.2
129.06998	8.4
131.04916	7.8
131.08595	26.1
133.06487	2.7
133.10153	26.7
135.08080	8.2
135.11703	34.7
137.05968	25.1
137.09598	4.9
137.13200	4.7
139.11267	2.8
143.08548	5.6
145.04953	4.0
145.06493	8.3
145.10104	24.0
147.11697	21.2
149.09740	3.5
149.13255	22.9
151.07561	41.5
151.11215	4.3
157.06503	3.3
157.10152	4.5
159.11682	20.4
161.13248	22.0
163.14859	4.3
165.09097	6.1
169.10152	4.2
171.08051	3.3
171.11688	4.8
173.09654	7.5
173.13249	16.8
175.07614	8.1
175.14822	7.4
177.09009	3.5
177.12798	5.1
179.14319	33.0
183.11710	4.0
185.13173	3.7
187.07553	6.6
187.14844	6.4
189.09122	7.1
189.16469	3.2
191.07040	4.2
191.10667	4.5
197.09662	3.5
199.07550	4.6
201.09108	18.6
201.16408	3.9
203.10675	7.6
205.12296	16.4
213.09120	3.8
217.12160	5.4
219.13797	3.1
225.09207	4.9
229.08667	3.7
231.13669	3.3
241.08472	3.6
243.21111	8.9
251.10692	3.1
253.08562	9.2
254.09404	8.3
255.13786	8.1
259.20593	10.4
261.09204	4.6
261.22153	45.9
269.11713	7.5
275.10663	5.3
275.20090	3.9
279.10199	4.3
281.08041	3.9
284.10513	5.9
285.11331	6.8
285.14813	6.5
291.10117	7.9
296.10379	9.4
297.11191	23.8
305.11844	8.4
309.11237	4.8
317.11771	4.5
321.11136	6.3
322.12131	3.8
323.12579	3.3
329.24832	5.1
331.26245	18.4
337.14407	21.9
339.23178	9.0
349.14374	12.2
349.27203	5.0
352.16690	51.9
353.17450	7.5
354.14700	4.2
355.15289	4.5
357.24252	13.3
361.14255	4.7
365.17664	5.5
367.15384	7.9
373.18192	5.9
374.18848	3.2
405.20862	23.3
423.22446	30.3
423.31375	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.3
55.01862	7.4
55.05513	21.3
57.03430	7.5
57.07066	5.6
59.05004	2.4
65.03931	4.5
67.05510	100.0
69.03445	11.3
69.07072	16.1
71.04979	9.4
71.08632	3.6
71.36368	4.3
73.02900	3.8
73.68858	2.3
79.05078	3.1
79.05503	51.9
81.03397	9.1
81.06597	4.4
81.07061	81.1
83.04989	4.4
83.08630	11.6
85.02917	4.5
89.06020	8.6
91.05485	34.7
93.06480	3.9
93.07051	62.9
95.04959	7.2
95.08614	51.6
97.02301	4.1
97.02900	75.8
97.06535	12.5
97.10102	2.3
99.04462	35.3
105.07037	29.9
107.04978	4.1
107.08607	35.5
109.02901	10.7
109.06525	4.7
109.10168	44.5
111.08054	4.5
117.07045	10.7
119.08590	18.3
121.10148	32.8
123.08060	16.5
123.11686	8.5
127.03934	22.2
129.07060	3.0
131.08604	17.5
133.10139	19.6
135.04395	4.2
135.08041	5.3
135.11705	28.6
137.05992	17.5
137.13249	3.5
143.08585	2.9
145.04956	7.9
145.10156	13.2
147.11694	10.8
149.02362	2.5
149.09647	4.5
149.13240	19.8
151.07497	5.3
151.11166	2.4
159.11734	13.1
161.13228	9.5
163.14749	3.8
165.12753	2.7
169.10086	3.3
171.11650	5.0
173.11748	7.2
173.13258	9.3
175.14868	5.3
179.08376	2.2
179.14326	18.8
187.14786	4.7
195.13866	4.0
199.14786	2.7
201.76666	2.2
210.71727	2.5
213.09291	2.1
231.51660	2.3
243.21010	4.5
259.20523	3.0
261.22205	23.6
277.21625	3.8
291.23349	2.7
331.26303	10.0
369.24210	4.0
387.25122	5.4
405.26538	5.5
423.26913	19.4
423.32104	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	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01873	5.3
55.05515	31.7
57.03432	2.3
57.07064	8.3
65.03939	5.2
67.05184	2.9
67.05514	41.9
67.80707	2.7
69.03446	13.6
69.06740	3.1
69.07074	40.1
69.26320	24.4
71.05010	13.1
71.08629	3.0
72.91038	2.8
79.05496	34.1
81.03416	18.2
81.07063	81.0
83.04970	5.8
83.08617	18.4
85.02910	7.2
85.06583	2.7
91.05495	30.8
93.06494	3.5
93.07057	61.5
95.04963	7.1
95.08615	88.2
97.02891	9.1
97.06531	7.3
97.10152	7.8
100.03277	2.5
105.07040	50.6
107.04996	3.6
107.08607	53.2
107.80996	3.3
109.02857	2.9
109.06577	4.2
109.10169	52.3
111.04451	2.7
111.11708	3.8
113.07436	3.0
117.07036	20.7
119.08598	57.7
121.10162	50.1
123.08063	8.3
123.11723	28.4
127.03922	4.4
127.11201	10.7
128.06227	4.5
129.07013	11.7
131.08588	25.2
133.06493	3.0
133.10149	44.5
135.11705	33.0
137.13264	11.3
143.08591	11.6
145.10144	34.2
147.11699	41.1
149.13300	18.6
150.02623	3.2
153.12749	4.3
155.08530	5.8
157.10153	20.6
159.11705	42.0
161.13284	24.7
163.11171	3.2
163.14818	8.0
165.09100	3.6
169.10106	6.7
171.11729	14.7
173.13310	24.3
175.14815	20.5
177.16376	9.3
179.14340	7.1
183.11739	5.4
185.09660	3.2
185.13319	13.6
187.14844	20.3
189.16422	18.9
191.10701	3.2
191.17931	3.9
197.13307	7.2
199.14838	12.2
201.16400	14.8
203.17952	10.4
204.39134	3.6
211.14888	5.0
213.16400	11.8
215.17926	15.7
217.19475	6.0
227.17993	12.4
229.19609	13.2
231.21190	4.1
241.19490	6.7
243.21210	3.3
255.21027	4.2
257.22726	7.3
259.20547	5.4
261.22156	6.7
269.22647	4.5
271.05905	3.9
283.24240	6.2
285.22205	3.0
299.23785	3.3
303.23172	10.6
315.23154	3.4
325.21545	3.5
337.28848	6.4
341.24774	3.9
345.24414	4.4
369.24341	11.6
387.25220	14.5
405.26245	12.5
405.35043	14.7
423.27118	8.3
423.31604	6.2
423.36237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11100	4.2
52.66246	3.5
53.03949	4.9
55.01863	6.4
55.05519	29.9
57.03445	8.7
57.07076	7.7
65.03944	11.0
66.49923	3.9
67.05512	100.0
69.03444	15.2
69.07077	37.9
70.07415	3.6
71.04994	5.4
71.52006	5.5
71.52415	3.8
72.08146	7.8
79.05500	48.6
81.03428	28.9
81.07063	99.1
82.07370	9.6
83.04984	5.2
83.08621	16.1
85.02901	10.1
85.06596	3.5
91.05486	39.5
93.07053	80.1
93.07631	5.0
94.07362	6.6
95.04979	13.5
95.08617	66.8
96.08912	6.3
97.02901	15.0
97.06546	26.5
97.10207	5.1
99.04446	5.1
99.08082	6.4
105.07037	44.5
106.07362	4.0
107.04980	10.1
107.08604	45.6
109.02864	4.2
109.06549	13.3
109.10171	52.6
111.04453	8.1
111.08110	6.2
117.07024	19.6
119.08585	43.0
120.08948	5.9
121.06537	8.6
121.10153	26.4
123.08087	24.4
123.11727	13.0
127.03973	4.1
128.06219	6.9
129.07030	10.8
131.08559	34.4
133.06477	6.7
133.10132	36.4
134.10468	6.1
135.04431	25.9
135.08054	10.5
135.11697	26.6
136.11992	4.7
137.05994	26.3
137.13312	7.6
143.08617	7.3
145.06459	7.3
145.10153	23.7
147.04436	3.9
147.11691	22.3
149.09607	5.8
149.13258	15.9
151.07542	8.5
155.08478	4.3
157.10168	10.0
157.21210	4.2
159.08006	3.5
159.11713	34.8
160.11989	9.6
161.09776	5.0
161.13283	12.4
163.60268	4.0
165.09177	3.8
165.12872	5.0
169.10167	9.4
171.11748	15.0
173.05942	4.8
173.11838	8.9
173.13290	15.7
174.13626	7.3
175.07498	4.0
175.11230	4.9
175.14815	5.2
178.08652	4.3
179.08781	4.5
179.14348	22.4
183.11714	4.4
185.06020	3.7
185.13319	6.0
187.07512	5.8
187.14828	7.1
195.11620	4.2
195.13838	7.1
197.13191	4.4
199.14842	4.6
201.09048	4.2
203.07126	5.0
203.10757	6.5
209.13322	4.2
211.14915	5.8
213.12848	4.2
215.17947	5.4
259.20633	5.6
261.22052	6.4
271.06003	3.9
272.24655	12.4
289.21570	5.2
291.23297	8.3
301.21967	4.9
303.23325	10.8
315.23062	5.4
319.22534	6.8
327.23209	5.2
331.22736	5.5
331.26462	10.5
339.22839	4.8
341.24637	7.7
351.23383	5.2
360.29211	12.6
369.24176	16.0
387.25555	24.6
405.26355	17.5
423.18204	4.8
423.27078	30.9
423.31180	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	8.6
55.05514	23.2
57.07076	7.6
57.39255	4.6
65.03926	4.6
67.05184	4.6
67.05515	59.8
69.03429	17.2
69.07077	37.9
69.36780	14.2
69.37205	20.5
71.05001	8.2
79.05499	39.1
81.03416	19.5
81.07065	100.0
83.04976	18.1
83.08627	17.2
85.02912	7.8
85.06548	5.3
87.63184	4.9
91.05498	36.2
93.07056	77.4
95.04988	8.3
95.08617	80.5
97.02875	4.5
97.06551	8.0
97.10182	10.1
98.20763	8.5
105.07041	53.1
107.08604	67.5
109.06539	8.4
109.10161	75.5
111.04488	3.7
111.08014	4.8
117.07012	10.3
119.08597	56.6
120.85328	4.0
121.06528	4.2
121.10152	50.0
123.08044	5.1
123.11732	26.2
123.12502	4.5
129.07022	8.8
131.08582	27.5
133.10152	39.8
135.08064	8.6
135.11725	36.2
137.09624	10.5
137.13264	9.1
142.07751	4.3
143.08534	15.2
145.10120	34.0
147.11702	30.1
149.09634	10.3
149.13266	32.0
151.07664	6.3
151.11237	6.0
151.14851	4.1
155.08524	6.7
157.10149	18.0
159.11697	29.4
161.13303	20.5
163.14854	5.9
165.12743	4.7
169.10129	4.5
171.11693	15.7
173.13286	22.3
175.14857	24.3
177.16338	7.5
185.13295	12.3
187.14853	18.1
189.16389	14.0
191.17978	8.3
193.15924	7.0
197.13351	6.5
199.14798	11.0
201.16415	17.6
211.14807	6.1
213.16422	11.4
215.17960	9.9
217.19655	7.2
227.17880	5.1
251.24782	4.3
254.46552	4.2
255.20889	4.6
257.22681	5.8
261.22260	6.0
273.22186	5.2
283.24191	8.7
283.27753	4.0
303.23187	8.0
344.92856	4.2
351.23010	8.2
369.24301	19.1
387.25241	15.9
405.26587	21.3
405.34995	14.7
423.27200	12.0
423.31427	7.3
423.36243	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83126	1.3
53.03945	5.0
55.01871	7.3
55.05515	12.0
57.03440	5.4
57.07086	2.5
65.03929	1.7
67.05512	35.0
69.03438	13.6
69.07078	14.1
70.21839	1.1
70.28268	3.0
70.28624	2.4
71.04996	5.5
73.02933	3.9
79.05502	29.2
81.03429	15.0
81.07066	45.7
83.04993	2.7
83.08629	7.8
85.02916	4.3
85.06569	1.8
91.05483	17.3
93.07054	34.6
95.04952	2.8
95.08614	32.2
97.02902	28.7
97.06545	7.0
97.10183	3.9
99.04463	24.4
105.07031	14.1
107.08611	19.1
109.02893	11.4
109.06530	8.8
109.10165	17.5
111.04451	2.3
111.08093	2.2
117.07040	4.9
119.08604	14.5
121.10159	17.1
123.08086	40.3
123.11716	8.3
127.03927	27.5
128.18202	1.3
129.07033	2.4
131.08553	11.0
133.06464	1.4
133.10138	12.4
135.04448	6.6
135.08052	7.1
135.11693	11.9
137.06001	4.3
137.09668	3.7
143.08620	1.5
145.05023	2.9
145.10153	8.3
147.11699	8.4
149.09682	2.0
149.13255	9.0
151.03923	5.6
159.11732	9.1
161.13239	6.6
163.14925	2.3
165.09207	1.5
173.13348	5.4
175.14919	2.5
177.12766	2.7
179.14320	29.0
183.11620	1.6
185.13272	1.5
187.14909	3.3
193.15810	1.9
233.19032	1.8
243.21143	1.7
259.20642	2.1
261.22137	15.1
275.19925	2.4
277.21704	2.6
279.23218	1.8
293.20990	2.2
303.26907	2.3
331.26318	23.4
349.27393	6.7
355.11697	2.1
423.31192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1805
Annotation	Terprenin
Peak:m/z	Relative Intensity
53.88010	0.3
55.01883	0.4
55.05514	0.5
65.03934	0.5
66.04713	0.7
67.05509	3.7
68.99763	0.3
69.07073	4.4
69.25202	2.4
79.05480	1.4
81.07066	1.9
91.05476	1.1
93.07047	1.2
94.04189	2.0
95.04996	0.7
95.08598	0.5
98.21504	0.9
105.07027	0.4
107.04964	1.3
107.08626	0.9
109.10186	2.3
115.05451	2.4
117.07043	1.6
119.08584	0.7
121.10094	0.4
122.03659	5.3
123.04476	0.6
131.04921	0.6
133.06499	0.4
135.04427	12.2
136.05206	0.9
137.05986	100.0
138.06329	0.8
139.03970	0.3
143.04939	5.5
145.06483	0.6
149.02356	16.5
151.03906	1.8
159.11638	0.5
161.05991	0.5
173.05962	3.4
173.11777	0.3
175.07518	0.4
187.07620	0.4
189.05544	0.6
201.05464	3.5
203.07053	3.0
205.08662	0.5
271.05963	0.4
325.10724	11.9
337.10751	0.4
353.10294	0.4
354.11130	0.6
355.11746	5.9
393.16989	8.1
423.18073	15.0
423.26611	2.5
424.18564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1804
Annotation	Terprenin
Peak:m/z	Relative Intensity
54.34116	0.4
55.01842	0.5
57.59880	0.4
58.03442	0.3
65.03937	0.8
67.05497	0.8
69.07067	5.0
71.53688	0.4
79.05480	1.1
81.07055	0.9
91.05477	1.0
94.04176	1.5
105.07032	0.7
106.19768	0.5
107.04934	1.1
108.62897	0.4
109.06519	0.4
115.05449	2.7
117.07026	1.2
122.03647	5.7
123.04438	0.5
131.04880	0.6
135.04416	20.4
136.05045	0.5
137.05981	100.0
138.06320	0.7
143.04939	6.1
143.06027	0.8
147.04443	0.4
149.02348	18.7
149.13231	0.4
151.03911	3.8
151.05008	0.6
173.06004	3.1
175.07529	0.6
189.05469	0.9
201.05487	4.0
203.06999	3.3
205.08560	1.1
251.14124	0.4
271.06036	1.2
309.11224	0.5
319.09720	1.4
325.10724	13.5
331.26306	0.4
337.10681	0.9
353.10272	0.5
354.10806	0.6
355.11777	12.7
364.11093	0.4
382.12430	0.8
393.16968	8.7
423.18057	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	423.1628
Annotation	Calealactone B
Peak:m/z	Relative Intensity
53.03919	1.1
55.05506	1.8
58.06611	2.4
67.05495	2.0
68.78666	1.0
69.03391	1.7
71.04981	1.9
71.53278	1.6
75.03561	1.3
81.07062	1.1
91.05477	3.5
93.07047	4.0
97.02882	2.8
97.46857	1.2
98.77602	1.1
102.38429	1.4
105.07019	2.7
107.08597	6.1
107.67982	1.2
110.22514	1.2
115.05463	1.3
119.04928	1.6
121.10149	2.0
127.03896	1.5
133.10080	1.8
135.04488	2.1
139.03920	1.5
147.04393	1.7
165.09152	2.7
217.05034	1.4
227.05261	1.4
231.09917	1.4
245.06377	4.9
257.04587	1.7
259.06091	2.0
271.06137	13.5
287.03741	5.0
289.05322	37.1
301.96667	1.7
379.17328	8.6
423.11273	4.8
423.16245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0902
Annotation	Mangiferin
Peak:m/z	Relative Intensity
58.06600	0.9
69.91806	1.9
70.06582	1.5
77.95289	0.6
79.05515	0.7
81.07068	0.6
84.08111	0.6
85.02883	1.2
86.09706	1.6
91.05478	0.6
93.07066	0.8
95.04984	0.8
95.08607	0.7
97.02906	1.1
98.21559	0.6
100.04342	0.6
105.07059	0.6
109.02900	0.8
110.06168	0.5
120.08128	4.5
121.06425	0.6
133.10141	0.9
144.08092	1.2
151.03972	0.8
160.73068	0.5
167.03220	1.2
173.12846	0.7
174.02881	0.9
175.03702	3.7
185.04265	1.3
215.85294	0.6
219.13460	0.8
223.10837	1.0
227.03352	0.5
227.05232	3.0
261.16122	0.8
271.04095	6.2
273.93011	0.5
337.08932	4.3
379.10043	39.2
423.09024	100.0
424.09396	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0925
Annotation	Isomangiferin
Peak:m/z	Relative Intensity
55.66820	0.8
57.03432	1.3
64.44830	0.7
69.70293	1.9
69.70697	3.0
72.08177	1.0
85.02921	2.4
99.26189	0.8
103.03907	0.8
107.01312	0.9
107.60469	0.7
109.02864	1.0
120.08168	1.1
153.01808	1.9
165.09192	0.8
171.04482	0.8
183.04454	1.2
201.05414	0.9
211.03917	2.9
219.02901	2.4
221.06029	1.3
225.05446	3.2
229.04951	3.9
231.02960	0.8
242.95432	0.8
243.02844	1.8
245.00632	1.0
245.04430	2.4
253.04996	2.1
257.04456	20.2
260.03256	3.9
261.03943	5.2
263.01828	1.9
267.03021	1.1
267.06360	0.9
269.04422	1.4
271.02817	1.4
271.06000	7.6
273.03958	100.0
274.04556	5.6
281.04492	3.1
283.05988	1.1
285.03992	12.1
285.07355	0.9
287.05441	1.0
295.06018	3.4
297.03943	2.7
299.01923	3.7
299.05484	24.3
301.03476	1.1
303.05011	59.7
310.04727	1.0
311.05447	1.9
313.07010	8.1
323.05463	4.8
327.05020	32.0
339.05023	15.3
341.06577	1.8
351.05060	11.2
356.31140	0.9
357.06033	18.2
367.06845	0.9
369.06116	18.7
387.07144	18.6
405.08194	11.9
405.13043	1.7
423.09113	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	422.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.05511	4.1
58.06589	3.5
67.05511	4.8
69.07075	3.6
70.06601	4.3
71.52892	4.1
79.05484	20.3
80.81632	3.3
81.07040	9.5
91.05493	37.4
93.07049	100.0
95.04953	3.3
105.03434	7.2
105.07037	49.7
107.08603	92.1
109.06506	3.3
109.10118	3.1
115.05456	6.0
125.15518	3.0
133.06511	42.1
135.11707	63.7
143.06046	4.4
149.05969	11.3
161.05992	74.3
167.07080	15.5
193.08624	55.5
211.09616	4.6
300.28934	5.1
333.71469	3.4
421.18512	3.4
422.32614	11.5
426.37881	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	422.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65026	1.4
53.03955	2.9
54.03844	1.4
55.05513	10.1
57.07082	7.6
67.05516	15.2
69.03445	1.3
69.07078	26.8
70.10600	4.2
70.11014	2.8
71.08643	3.1
72.75754	1.5
79.05499	19.0
81.03462	1.5
81.07065	100.0
83.08627	10.1
91.05493	17.3
93.07056	54.0
93.07648	3.3
95.04984	2.6
95.08617	48.9
97.10194	2.9
103.05457	1.8
105.07037	30.7
107.04977	1.9
107.08607	32.9
109.10159	20.4
111.11726	1.9
119.08595	21.5
121.06506	3.7
121.10138	13.4
123.11697	12.5
128.95428	1.4
129.07053	2.8
131.08607	12.2
133.10150	36.7
135.11691	31.7
137.13261	14.9
142.07808	1.7
143.08580	3.8
144.09363	2.7
145.10158	17.5
147.11687	11.2
149.13245	8.0
151.14912	1.6
152.07115	2.0
157.10205	4.4
158.10881	2.1
159.08203	1.8
159.11720	36.8
161.13261	10.0
163.14861	5.3
164.07057	4.8
171.08153	1.7
171.11723	4.5
172.08905	2.2
172.12476	1.9
173.13292	19.9
175.14867	5.2
177.16376	3.6
178.08643	6.5
181.58133	1.7
185.13162	2.2
186.14093	1.8
187.14833	11.9
188.07140	1.6
189.16402	4.1
190.08748	1.9
191.36975	1.7
199.56711	1.5
201.16441	8.4
202.08698	5.6
203.18213	1.8
204.10173	1.9
211.11285	1.9
215.18005	18.8
216.10289	8.3
229.19508	8.4
230.11775	2.1
231.21228	2.3
235.11270	1.8
271.24234	38.5
279.17413	4.5
284.16675	2.9
320.20084	4.6
343.68076	1.7
364.27908	2.3
366.24420	2.4
405.30298	2.0
422.25272	3.1
422.30569	36.0
423.31140	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	422.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.05511	4.1
58.06589	3.5
67.05511	4.8
69.07075	3.6
70.06601	4.3
71.52892	4.1
79.05484	20.3
80.81632	3.3
81.07040	9.5
91.05493	37.4
93.07049	100.0
95.04953	3.3
105.03434	7.2
105.07037	49.7
107.08603	92.1
109.06506	3.3
109.10118	3.1
115.05456	6.0
125.15518	3.0
133.06511	42.1
135.11707	63.7
143.06046	4.4
149.05969	11.3
161.05992	74.3
167.07080	15.5
193.08624	55.5
211.09616	4.6
300.28934	5.1
333.71469	3.4
421.18512	3.4
422.32614	11.5
426.37881	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	422.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.8
57.09257	1.2
64.51947	0.9
67.05518	1.4
69.03425	2.1
69.07075	1.7
70.07565	3.8
71.04998	13.4
79.05488	2.4
81.03394	1.2
81.07037	2.1
83.04968	2.3
83.08623	2.1
84.08138	1.4
85.02906	7.2
86.09725	1.2
87.33859	1.0
91.05499	2.0
93.07051	4.1
95.04947	1.9
95.08611	4.1
97.02887	2.1
97.06533	1.3
99.04464	43.3
105.07033	4.3
107.08601	16.2
109.02843	1.5
109.06541	8.3
109.66819	1.0
112.03986	1.3
112.27322	1.0
113.09635	2.4
119.08591	6.1
121.10146	5.9
123.08082	9.3
123.11711	4.7
124.03952	2.5
125.09650	2.4
127.03915	2.3
131.08551	1.6
133.10095	2.2
138.70071	1.1
139.11192	3.6
140.03400	1.4
145.10136	1.2
147.11685	4.7
149.09607	5.0
151.07593	1.3
151.11177	2.5
161.13275	4.3
165.12708	7.5
167.10716	17.7
171.11676	1.7
179.14279	2.5
183.13809	14.6
189.12823	5.5
207.13799	13.2
224.65028	1.2
225.14879	100.0
226.15344	1.6
243.15868	1.5
319.15289	1.1
387.20126	4.1
422.13510	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01881	0.7
55.05503	2.2
57.03426	1.3
58.27837	0.6
59.04999	0.8
61.02930	0.7
62.72332	0.6
69.03426	3.2
69.07067	2.0
70.06586	1.4
71.02991	0.7
71.03323	1.2
71.05000	8.7
72.08150	1.1
78.03456	1.1
79.05493	1.7
81.03423	2.7
81.07063	3.2
83.04992	1.2
83.08628	3.9
84.04519	1.4
84.08120	0.7
85.02914	8.1
85.06557	0.7
86.09696	1.2
87.00831	0.6
87.04469	2.4
91.05476	3.4
93.07049	3.6
95.04976	0.8
95.08618	4.0
97.02904	3.4
97.06513	1.3
98.97579	1.5
99.04468	30.6
105.01866	0.7
105.07052	4.2
106.02926	4.9
107.08603	14.2
109.02883	2.5
109.06530	8.4
109.10188	3.8
111.08095	0.7
113.09647	1.6
115.03909	0.9
115.07578	0.8
116.01682	1.5
117.07024	0.7
119.04961	0.6
119.08614	3.8
121.10158	5.5
123.08086	6.9
123.11715	4.2
124.03957	7.0
125.09644	3.6
127.03912	2.7
127.07578	0.8
131.08612	1.2
133.10144	2.7
135.11678	1.1
135.19638	0.7
137.05989	2.8
137.09615	2.1
137.43585	0.6
139.11163	4.6
142.03069	0.6
144.01224	1.4
145.04951	2.0
145.10078	0.9
147.11719	5.2
149.09615	4.6
151.07539	1.2
151.11191	2.6
159.08481	0.9
161.09622	1.0
161.13239	3.2
163.11096	0.7
165.09129	0.9
165.12746	4.7
167.10689	12.2
171.11717	1.0
173.12971	0.6
176.03787	2.5
179.14357	1.0
181.12247	1.8
183.13815	12.8
189.12770	4.0
191.14360	0.8
207.10303	0.8
207.13821	16.6
209.02621	0.8
225.14877	100.0
226.15300	1.8
228.06407	1.0
243.15968	5.6
250.07217	2.0
256.76730	0.6
268.08130	3.4
323.08157	0.9
387.20264	2.9
404.13223	1.9
422.14407	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	422.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01865	0.6
57.03426	1.0
58.06569	0.6
61.02901	1.3
69.03432	5.0
69.26343	1.6
69.26775	1.2
70.06580	0.5
71.04972	0.7
72.08139	0.4
73.02897	0.5
81.03407	1.7
83.01345	10.1
85.02909	7.1
87.04440	0.9
91.03956	0.4
96.23195	0.3
97.02895	2.9
99.04461	0.5
103.05463	0.6
109.02869	1.0
118.05713	0.5
118.06548	8.6
127.03916	1.7
130.06516	0.5
131.04970	0.7
133.06584	0.4
145.04959	0.9
146.06009	7.5
148.02805	0.6
148.03943	9.3
148.07478	0.4
159.04431	0.7
174.05519	4.9
176.04788	0.3
176.07065	4.8
186.05495	1.5
187.03873	0.5
204.06570	100.0
205.05110	0.3
205.06917	1.0
260.12839	91.0
261.13159	1.5
366.11978	1.0
422.18143	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	422.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03736	0.4
53.03953	4.6
55.05506	0.6
57.03435	1.0
61.02903	0.6
67.05504	1.3
69.03437	6.5
69.07078	0.6
70.06593	1.6
71.04980	1.2
71.52876	0.7
72.08176	2.1
74.99049	0.4
75.03185	0.4
75.15647	0.4
77.03936	0.7
79.05504	5.9
81.03429	11.2
81.07070	0.4
84.08144	0.7
85.02916	12.1
91.05489	1.4
93.07018	1.0
95.04987	2.9
97.02904	6.8
97.06532	2.0
99.04458	1.8
103.03954	1.1
103.05484	0.5
105.03401	100.0
106.88632	0.4
107.08605	0.4
108.04559	0.4
109.02898	7.3
111.44172	0.4
119.08581	0.9
121.06529	4.0
123.04439	16.4
127.03932	8.4
128.51505	0.4
145.04973	2.5
149.02144	0.4
163.03917	0.6
165.05522	1.1
204.84720	0.5
215.07162	0.6
229.08682	0.9
231.06566	2.0
249.04976	0.9
249.07611	20.8
259.09521	2.0
267.08655	37.0
275.25131	0.4
330.21478	0.6
374.58032	0.5
387.33643	0.6
404.36285	0.7
422.26178	1.8
422.37527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1449
Annotation	909910-43-6
Peak:m/z	Relative Intensity
55.01857	1.4
55.05499	0.5
57.03436	1.1
58.06593	1.8
61.02929	0.9
61.99395	0.5
68.05012	0.8
69.03447	2.7
69.39999	1.1
69.40410	3.1
70.06584	2.2
71.04994	0.7
72.08143	0.8
73.02915	1.4
74.06081	0.5
78.03472	2.4
79.05520	1.2
80.05041	0.6
81.03443	3.0
81.07044	1.4
82.06590	1.1
84.08138	3.8
85.02908	2.2
86.09705	1.5
86.41035	0.5
88.04012	4.5
91.05485	1.3
93.07029	2.6
95.05016	0.7
95.08607	0.8
96.04465	0.6
97.02892	2.6
99.04457	0.7
103.03936	0.9
104.04939	1.0
105.03395	0.5
105.07033	1.3
106.02928	7.7
109.02883	1.7
110.07256	0.5
117.07046	0.5
119.05069	0.5
119.08589	0.6
121.02879	1.6
121.10133	1.4
122.06036	2.3
123.04447	1.0
124.03970	17.0
127.03905	1.8
128.07091	2.3
129.06966	0.5
137.02341	4.6
137.06015	0.9
139.48434	0.5
141.07053	0.6
145.05014	0.6
145.06487	0.7
147.04434	0.8
149.09563	0.8
150.05525	2.2
151.03925	1.2
155.79375	0.5
159.08119	0.6
160.07596	0.7
161.13202	0.6
163.03877	0.7
163.07416	0.8
166.05002	0.7
167.72528	0.5
168.06610	1.0
173.06032	1.4
175.03944	1.0
183.06551	0.9
185.06052	1.1
187.07568	1.5
189.05516	0.7
189.09084	0.5
191.07085	0.9
197.05989	1.5
199.07555	0.8
201.05437	1.0
203.07022	0.8
205.05038	0.8
211.07516	0.8
213.05537	2.0
213.09084	0.7
215.07076	2.2
217.05075	1.3
217.08524	0.8
225.05518	1.6
225.11302	1.6
225.14851	0.8
227.06995	1.5
229.05000	1.3
231.06575	1.5
233.08125	0.9
239.07054	1.8
241.05025	0.7
241.08662	0.7
242.05827	1.0
243.06578	4.6
245.08084	0.7
247.06114	1.2
250.07114	3.3
257.08160	1.0
258.11423	1.2
259.06024	3.7
259.09790	0.7
260.06778	0.6
261.07687	2.1
267.06537	2.3
268.08304	3.4
269.08124	2.2
270.07751	0.7
271.06030	6.3
273.07629	1.3
275.09177	1.6
281.13864	0.6
283.06110	1.0
285.07620	4.9
287.09149	4.4
289.06888	0.7
294.09866	1.7
295.05908	1.0
299.14841	1.2
301.07129	1.6
301.10645	0.8
303.08640	2.2
305.10217	1.0
307.08151	0.7
310.99588	0.5
313.07047	4.0
316.11929	0.9
318.13388	0.9
319.08218	1.4
327.08737	0.6
331.04489	0.9
331.08167	6.8
340.60098	0.6
343.08221	0.7
345.09763	2.6
347.11313	0.6
360.14590	0.6
362.12418	0.9
363.11304	0.8
376.13940	16.0
378.15732	0.7
404.09824	1.7
422.14526	100.0
423.14771	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.3
53.03959	2.8
53.93507	0.6
55.01872	0.8
57.03444	1.3
69.03438	8.6
69.41507	4.0
70.06611	1.0
71.04990	1.7
78.03462	21.1
80.05021	2.4
81.03429	19.2
81.03914	0.6
83.26922	0.5
84.04522	0.9
84.08179	0.6
85.02914	9.7
91.05506	1.2
95.04964	0.6
96.02118	1.8
96.04496	2.7
97.02890	4.9
99.04472	3.1
106.02930	71.1
106.93681	0.5
109.02891	13.1
109.10220	0.6
111.50992	0.5
121.02876	0.5
123.04423	1.3
124.03970	100.0
125.04312	0.8
127.03944	9.4
137.02354	53.8
139.18152	0.5
145.04979	1.6
155.03368	1.2
166.05072	1.5
167.07039	3.3
179.03641	0.6
195.14075	0.6
196.06134	0.9
208.06064	1.1
225.11230	1.2
226.07365	0.6
228.31955	0.5
230.95326	0.5
232.06172	1.2
243.15981	1.1
250.07138	35.6
255.11430	0.8
256.06412	0.9
268.08194	40.0
270.07559	2.9
283.10852	0.7
301.11932	1.6
346.42334	0.7
404.09851	21.6
422.10858	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	422.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	0.6
51.02376	0.9
52.73699	0.6
53.03950	2.9
55.01883	0.9
57.03434	1.2
69.03441	9.2
71.04993	1.3
71.16063	0.9
71.16455	0.6
73.02930	1.1
78.03461	23.8
80.05038	3.0
81.03428	23.0
85.02923	8.8
86.15824	0.6
92.31966	0.6
96.02115	2.1
96.04455	2.8
97.02896	4.7
99.04453	3.0
106.02927	80.7
109.02897	14.3
109.03627	0.4
124.03967	100.0
127.03932	10.2
137.02353	56.1
145.04971	1.4
155.03418	1.1
166.05046	1.8
184.59683	0.6
196.06104	1.7
207.65894	0.6
232.06015	2.0
237.41573	0.6
250.07144	42.5
251.07246	0.7
256.32587	0.6
268.08191	40.6
282.38812	0.7
297.51910	0.5
404.09802	25.0
404.15176	1.3
422.10876	29.4
423.11459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27779	0.7
51.71090	0.7
55.01851	0.9
55.05510	1.0
57.03435	0.8
58.06590	0.8
66.06606	0.7
67.01879	3.5
67.05513	1.6
68.99776	4.7
69.03446	5.5
69.39021	4.8
70.06596	4.5
71.05001	0.8
72.08160	8.3
79.05482	1.2
81.03416	2.5
81.07045	2.7
83.82312	0.8
84.08141	2.2
85.02902	4.8
86.09727	0.8
91.05466	1.8
93.07034	1.2
95.08593	1.0
97.02876	2.8
97.06520	0.9
98.20787	1.4
99.08702	0.7
105.01907	0.9
105.07028	2.6
107.04945	2.2
107.08588	1.8
109.02862	2.0
109.10158	1.4
111.00818	2.7
116.07074	0.8
119.04926	1.2
119.08618	2.3
120.05656	0.8
121.02895	1.6
121.10147	2.1
123.04429	2.8
125.09540	0.8
127.03921	1.7
133.02847	2.4
133.10185	1.2
134.06009	3.3
135.04420	7.8
136.06186	1.1
137.02377	1.2
139.11198	1.8
144.08060	1.2
144.54021	0.7
145.02939	1.0
145.04906	0.9
146.06110	1.8
147.02638	2.1
147.04424	1.7
147.11678	1.2
149.00584	4.0
149.02361	3.4
149.09592	1.8
150.06758	2.4
151.02161	1.2
151.03938	1.7
151.07587	1.3
153.01843	100.0
154.97977	4.6
159.09460	0.7
160.07567	1.7
161.02379	3.3
161.09671	1.2
162.05536	1.0
167.01622	1.3
171.02878	5.3
171.04413	2.1
172.07610	2.6
173.00569	1.1
175.02170	3.4
175.03664	0.7
176.07071	1.3
177.01823	8.1
179.01726	2.3
179.03403	34.7
181.03192	6.8
181.12239	1.0
182.97516	2.6
187.02133	2.8
188.07089	25.3
190.06310	1.1
193.03224	1.8
193.23557	0.9
195.02896	2.0
197.04527	1.5
199.03946	1.8
200.07089	6.7
200.10783	1.2
200.98491	1.2
201.00099	4.2
202.00879	2.4
203.01631	1.3
203.03400	1.0
205.01410	2.1
207.01073	4.4
207.04779	1.5
207.13786	4.3
209.02679	1.6
214.12300	1.9
216.02354	1.3
217.03236	1.0
218.00394	1.3
221.02704	1.3
223.02443	3.4
224.10718	3.0
225.14845	2.3
227.01627	11.7
227.06856	0.9
227.09398	1.0
229.03140	1.0
229.05069	1.4
230.00339	20.9
231.01219	1.1
232.01944	5.8
233.02710	2.9
233.99875	3.0
235.04314	1.1
242.11781	48.7
243.15964	2.6
244.01953	1.5
245.02704	68.7
246.03230	0.9
247.04277	4.4
249.02191	5.4
253.05287	3.0
255.01097	7.8
256.01865	1.4
260.12863	23.1
263.03818	3.0
270.07913	5.3
272.01349	6.3
273.02176	23.9
277.05350	1.6
279.03232	1.7
281.99954	1.4
283.00580	5.0
284.01480	1.2
291.03119	1.3
296.05902	1.7
300.00897	14.8
305.04822	2.4
315.03229	34.5
316.26535	0.9
318.01855	0.8
327.03305	1.0
333.00314	1.2
333.04288	25.4
333.08093	1.4
334.27405	3.2
341.04883	2.7
351.30133	1.2
359.05838	27.3
376.08441	7.9
387.05377	38.4
405.06415	40.6
405.35086	1.8
422.09158	25.2
422.18018	18.4
422.37497	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	422.091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51547	0.4
52.93311	0.4
55.01889	0.4
55.46052	0.4
57.87747	0.3
67.01864	1.3
67.05515	0.4
68.99796	1.6
69.03428	1.4
70.06599	1.0
71.03199	0.7
71.03533	0.5
71.99094	0.7
72.08156	1.0
74.00670	0.6
79.05506	0.8
81.03445	0.5
81.07060	0.9
85.02934	0.9
86.09756	0.6
88.03994	1.2
91.05504	0.7
93.07066	0.8
97.02887	0.9
105.07021	0.5
106.07417	0.4
107.08605	0.5
109.02894	2.5
111.00813	1.0
117.99633	1.9
119.08608	0.6
120.08129	0.7
121.01118	2.0
129.00050	0.9
132.08154	0.5
137.05983	1.0
147.02528	0.4
147.47086	0.4
148.02199	1.2
149.00575	14.5
152.08299	0.8
153.01843	74.7
155.01639	1.1
156.99559	2.6
162.03148	1.3
162.05539	0.7
165.00040	0.5
166.00833	0.8
169.03197	0.7
171.02901	1.1
176.01666	11.0
176.07104	1.3
177.05493	6.0
178.00937	0.7
179.03429	1.5
179.07072	2.1
180.02431	2.4
181.03188	2.2
182.39493	0.4
192.04785	1.2
193.01915	6.9
194.00331	4.1
195.03571	0.8
207.01071	0.6
208.04289	27.0
209.02711	11.6
209.04697	0.7
224.07455	0.9
227.03749	1.8
235.04146	0.5
239.02499	0.8
244.06502	1.2
254.04848	100.0
255.05219	1.0
260.09586	0.5
260.12048	0.4
270.07959	3.6
289.04871	0.5
304.46429	0.4
333.04242	2.4
342.31601	0.4
359.05701	0.6
405.06241	0.9
413.23892	0.5
422.08978	1.7
422.17325	0.9
422.25607	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	421.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	13.4
58.06598	0.9
69.54823	0.8
69.55249	1.1
72.65398	0.3
106.14746	0.3
119.08606	0.3
125.07130	1.7
126.05545	2.1
135.04457	0.3
149.02390	0.8
149.90715	0.3
180.28821	0.3
191.11824	0.4
193.04996	0.8
208.14548	0.7
209.12845	6.1
210.11261	0.5
218.12808	1.8
219.11328	1.0
260.15329	0.5
275.17532	3.7
291.19263	0.3
292.20248	3.7
293.18579	4.5
302.18655	8.7
343.22592	0.4
358.24963	1.4
376.25967	100.0
377.26401	1.9
389.74451	0.3
394.26981	2.2
421.26266	0.3
421.31750	6.1
422.28915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01862	1.3
55.05316	1.0
55.05514	12.9
57.03426	4.5
57.07074	4.3
67.05183	2.0
67.05513	24.3
69.06726	1.8
69.07074	23.6
70.14220	4.5
71.08624	1.1
79.05500	21.3
81.07060	34.1
83.04974	1.1
83.08633	8.9
91.05493	13.8
93.06486	2.0
93.07053	37.1
95.04968	2.3
95.08618	37.1
97.06554	1.7
97.10158	5.0
98.21474	1.2
105.06404	1.6
105.07040	18.0
107.08607	36.0
109.10172	19.8
117.07021	3.3
119.08604	20.1
121.10159	25.2
123.11736	10.3
131.08577	5.8
133.10149	17.5
135.11707	15.0
137.06030	5.4
137.13258	3.6
138.82256	1.0
142.58174	1.1
142.68474	1.0
143.08537	2.7
145.06534	1.2
145.10127	7.5
147.11713	14.3
149.13274	14.5
151.14848	2.6
157.10133	3.4
159.11702	4.9
161.13268	8.6
163.14821	9.4
171.11742	1.9
173.13237	4.1
175.14798	5.8
177.16364	4.4
185.13210	1.5
187.07582	1.3
187.14841	3.3
189.09155	1.3
189.16415	3.6
191.14276	1.6
191.17949	6.1
199.14861	2.5
201.16412	1.3
203.17911	2.8
205.19534	2.5
213.16354	2.7
215.17987	1.7
217.19664	1.6
219.17346	1.6
233.19102	1.7
245.18983	2.1
259.20627	3.4
269.15427	1.4
273.22083	5.5
275.10706	1.2
287.23666	2.9
291.23294	1.5
295.19122	1.2
301.25342	1.3
309.41641	1.2
311.27386	3.1
329.28421	25.6
335.12906	1.5
347.29526	4.3
351.25421	4.0
365.26965	8.0
391.26227	2.7
403.18954	2.1
403.32162	6.0
421.20517	13.6
421.27548	7.4
421.33105	100.0
422.33548	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	421.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
55.05512	8.6
57.03438	9.3
57.07080	33.9
67.05517	15.5
69.07082	14.2
70.72894	1.8
71.05013	4.1
71.52495	3.7
74.55651	1.8
79.05513	12.6
81.03441	2.9
81.07066	26.8
83.04991	3.0
83.08632	5.0
85.06559	15.5
91.05511	7.9
93.07053	15.2
95.04984	5.4
95.08628	21.9
97.06552	7.7
97.10259	2.6
97.49098	2.4
105.07070	7.0
107.04982	2.9
107.08601	15.8
109.06516	12.6
109.10177	9.6
111.04489	3.2
111.08105	5.2
116.36875	2.1
119.08603	10.5
121.06539	2.9
121.10175	8.1
123.08086	10.6
123.11757	4.9
125.09671	2.5
131.08600	3.7
131.20145	1.9
133.10150	9.3
135.08081	17.4
135.11737	4.0
137.05978	24.3
137.06783	2.3
137.09683	2.5
139.07556	3.1
145.10175	6.1
147.11732	8.2
149.02371	2.3
149.09608	4.9
151.07602	8.4
151.11226	3.4
156.29480	2.1
161.13338	3.2
165.09270	3.1
165.12775	9.9
175.11183	2.6
177.12784	6.7
179.14456	2.6
189.09131	3.5
191.14357	2.3
193.12242	2.9
201.16539	2.5
207.13878	9.0
232.71759	2.1
240.33238	2.0
263.20096	3.4
269.40768	1.9
277.18207	3.0
319.26489	9.3
319.29947	2.2
329.21341	4.8
337.27563	6.3
347.25858	100.0
356.02179	2.1
365.26883	18.3
393.30029	13.7
403.24719	3.5
421.29648	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	421.2588
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03939	5.1
54.64889	2.3
55.01868	6.5
55.05515	19.4
57.03449	11.7
59.04974	2.7
61.02928	3.4
65.03970	2.9
67.05185	4.4
67.05512	64.2
69.03440	8.4
69.07055	9.8
69.38281	7.6
69.38702	11.1
71.04985	3.4
73.02884	3.5
76.17429	2.6
79.05503	37.6
81.03429	23.4
81.07065	36.2
83.04977	8.8
83.08619	12.2
85.02899	6.8
85.06538	3.0
91.03956	3.0
91.04978	3.4
91.05491	40.1
93.07059	30.2
95.04976	61.2
95.08614	28.3
97.02882	8.2
97.06538	8.4
97.10175	12.8
97.10744	2.6
98.21498	5.8
105.03421	3.5
105.07047	22.9
107.04953	27.5
107.08636	16.4
109.02854	2.5
109.06531	7.0
109.10163	36.9
111.04452	3.3
111.08105	7.0
115.05435	4.5
117.07027	13.3
119.04995	2.7
119.08596	29.3
121.06516	21.8
121.10146	8.2
123.08070	8.4
125.09643	9.8
128.06281	3.6
129.07013	14.5
131.05026	3.7
131.08582	24.1
133.06516	5.4
133.10158	15.7
135.08057	7.9
135.11691	4.5
137.06038	2.7
137.09612	9.4
141.07014	3.2
141.20627	2.6
143.08585	7.6
145.06477	3.0
145.10167	12.3
147.08063	8.7
147.11699	5.5
149.09633	4.9
149.13223	2.5
155.08682	4.8
155.10500	2.5
157.06555	2.9
157.10168	11.6
159.08044	3.3
159.11732	8.5
161.09651	7.1
163.11197	8.1
168.59818	2.6
169.10144	6.2
171.08081	3.2
171.11665	5.5
173.11769	8.9
175.11264	8.6
177.12856	3.2
183.11765	4.2
185.09631	2.8
185.13290	5.9
187.11154	4.5
189.09166	5.7
189.11232	6.3
189.12747	3.2
193.12227	13.5
195.11697	5.0
199.11223	3.1
203.10735	9.8
213.12801	4.4
215.14452	3.7
219.13913	2.7
223.13205	3.7
231.13820	3.8
249.14937	8.0
259.12811	2.4
279.72626	2.4
301.21713	4.9
311.20090	12.7
329.21136	70.4
340.15466	17.5
347.22318	10.1
377.22943	3.1
385.23697	4.3
403.24774	48.3
405.78101	2.9
412.17432	2.8
421.18045	9.5
421.25891	100.0
421.68298	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	420.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79279	5.8
57.07080	40.4
68.33174	6.8
71.08637	30.0
71.52620	5.7
82.87910	5.4
85.10187	19.0
89.06043	100.0
97.10166	5.6
130.08658	7.0
133.08601	29.0
138.98608	6.2
149.02394	7.8
151.09680	76.9
171.13818	8.6
403.37943	14.5
440.18704	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	2.0
55.01880	4.1
55.05536	2.4
56.96590	2.5
67.05519	4.4
68.99798	3.2
69.03452	2.3
69.85212	7.2
76.05035	1.6
77.09039	1.6
79.05502	4.4
81.03424	13.4
81.07060	3.2
83.04970	2.5
85.02915	2.4
91.05536	5.2
93.07082	2.5
95.05002	2.5
95.08652	2.6
97.02901	4.8
105.07040	2.4
107.04967	5.7
108.05739	1.9
109.02924	3.3
111.04501	2.8
115.05485	3.2
117.07029	4.0
119.08688	3.0
121.06573	2.1
125.02336	10.3
128.06261	3.4
129.07092	4.2
131.04970	3.6
131.08594	2.8
133.06487	3.5
135.04437	11.0
136.05203	2.2
137.02388	2.3
137.06027	4.3
143.03462	3.6
144.05696	1.9
145.06517	15.7
146.07326	5.5
147.04433	2.3
151.03972	2.0
151.07559	100.0
152.07884	2.9
155.03479	8.2
157.06561	4.9
158.07272	5.1
159.08080	15.6
160.08829	3.3
161.06021	7.8
161.09692	2.3
162.06776	2.1
165.01857	4.3
165.06985	2.3
167.03516	2.1
169.06493	2.3
171.08128	4.4
172.08846	14.4
173.06055	6.6
174.06792	9.3
175.07593	8.0
176.08394	7.9
177.09138	9.2
179.03511	5.9
179.08601	2.2
181.06590	4.5
182.07265	2.2
183.08105	3.5
187.07675	7.4
188.08319	22.2
189.09126	89.5
190.09915	5.4
191.10741	4.2
195.08098	3.7
196.08882	6.9
199.07620	2.6
200.08450	2.7
201.09154	18.4
202.09894	9.9
203.10686	34.2
212.08409	5.4
213.09145	14.8
215.10660	2.7
219.10202	12.9
224.08418	2.4
225.09019	2.6
226.10008	4.3
227.10678	12.1
228.11450	2.5
231.10190	48.1
239.10722	4.1
241.12187	2.4
247.07639	2.7
249.11270	24.1
255.10156	2.9
267.10236	3.2
278.09421	3.2
281.11926	2.6
291.10031	3.3
309.11182	9.1
325.10822	3.3
327.12277	4.1
337.10776	6.7
339.12479	2.5
355.11710	18.9
357.13336	12.6
367.11841	2.6
373.12958	3.0
385.12805	5.4
400.11615	2.4
421.25906	6.6
424.56448	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32727	1.4
57.03445	19.2
59.05013	4.4
60.04518	2.0
61.02927	2.6
65.03936	1.4
66.59879	1.5
67.45185	1.6
69.03437	75.7
69.59686	9.9
73.02930	2.7
76.42010	1.6
76.48488	1.5
79.05503	3.4
81.03419	3.0
85.02916	59.7
87.04478	48.0
91.05493	100.0
97.02902	75.6
98.21482	3.4
99.04470	3.1
101.24832	1.6
105.07028	4.5
106.45931	1.8
107.04996	7.3
115.03941	86.8
117.05527	2.7
127.03931	8.0
129.06949	1.6
133.04980	99.8
143.03232	1.7
145.04976	10.9
145.06116	2.0
150.07635	14.9
161.04500	3.5
163.06009	4.2
169.04944	3.6
171.08162	2.0
175.07574	2.7
187.74675	1.5
205.08702	3.7
217.08630	3.7
217.99834	1.6
219.96320	1.5
223.09685	12.0
235.09738	2.2
241.07120	3.0
253.10733	4.7
258.48874	1.5
259.08170	5.9
259.10883	1.9
295.10278	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	420.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.6
57.03420	2.9
58.06590	4.4
61.02937	1.7
67.05522	2.6
68.86411	1.1
69.03432	6.6
69.07063	2.7
69.88934	2.4
69.89335	5.5
70.06594	6.5
71.04984	4.6
72.08159	4.1
79.05484	4.8
81.03417	3.1
81.07054	5.1
81.34119	1.3
83.04991	2.0
84.08163	9.0
85.02916	18.9
87.04460	2.2
89.75566	1.4
91.05478	5.1
93.07049	7.1
95.04966	2.3
95.08598	3.4
97.02908	6.7
97.06535	3.3
99.04449	10.2
100.52293	1.3
103.17161	1.7
105.03383	5.5
105.07049	11.0
107.04941	3.2
107.08604	33.6
109.02884	2.2
109.06528	6.8
109.10145	1.6
111.04434	2.3
111.08092	2.9
116.07088	3.9
117.07046	3.2
119.08583	7.4
121.06535	6.7
121.10149	10.5
123.04427	2.3
123.08064	5.5
124.04002	1.9
127.03929	5.3
129.06992	1.7
131.04950	1.4
131.08604	7.7
133.06459	2.9
133.10114	8.7
135.08109	3.3
135.11740	6.7
137.05940	2.2
137.09624	15.3
139.51825	1.4
145.04942	3.7
145.06555	2.2
145.10135	18.4
147.04442	4.1
147.08028	3.5
147.11749	6.7
149.09627	11.6
149.13200	1.3
151.07494	3.1
157.10152	5.3
159.08069	3.9
159.11705	21.8
161.09622	3.2
161.13187	1.6
163.03906	1.7
163.07701	1.4
163.11203	23.0
165.05476	1.6
165.09123	2.2
167.10699	33.5
169.10106	1.7
172.08829	1.8
175.11201	18.3
177.05519	2.0
177.12785	8.3
181.12228	1.6
183.76411	1.2
184.07668	1.3
187.11209	20.2
190.23615	1.3
193.12265	15.6
205.10435	2.5
205.12263	33.7
205.14200	1.8
211.13252	3.5
223.13307	44.2
241.14366	100.0
250.10739	1.5
288.05737	1.8
365.05557	1.5
376.09946	1.6
402.15753	2.5
403.19449	3.7
420.08316	6.6
420.22366	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	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01865	1.8
55.05511	3.7
57.03442	22.7
58.68091	1.8
59.04996	5.7
60.04516	2.6
61.02928	4.9
66.09741	2.3
69.03439	72.9
69.07061	2.1
69.22709	4.5
69.23124	13.8
70.06600	13.7
72.08164	11.4
73.02898	4.4
75.56441	1.8
81.03408	5.7
81.07076	3.8
84.08134	7.1
84.56433	1.5
85.02911	55.0
86.06071	2.7
86.09688	7.5
87.04474	56.0
91.05437	1.7
93.07050	2.2
95.00749	1.6
95.04986	3.9
95.08644	2.5
95.40908	1.8
97.02899	58.4
98.20805	3.5
99.04442	4.0
102.05591	1.8
105.02728	3.4
105.03400	49.4
106.02885	2.5
107.08575	1.8
109.02850	3.0
109.06522	6.7
109.10137	1.9
110.07169	12.6
111.07467	2.2
114.05517	3.3
115.03940	100.0
119.08589	3.5
120.08134	4.6
121.02857	3.0
121.06493	2.1
123.04414	1.9
124.03977	19.9
124.37238	1.7
127.03904	7.8
128.07112	2.4
129.10243	6.3
131.04874	1.9
131.83154	1.6
133.04979	99.1
136.07526	1.7
145.04974	9.4
145.06438	2.0
145.10143	2.9
147.08099	2.4
149.09593	1.9
150.07648	14.3
163.06071	3.6
180.08621	2.1
187.07442	2.1
190.81686	1.9
203.34622	1.7
205.12242	4.5
215.14987	1.6
223.13240	7.8
231.20903	1.8
241.14398	5.6
251.15245	1.8
259.08252	3.9
268.08276	2.2
277.09064	3.0
295.10431	2.0
420.09351	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	420.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	9.9
56.05037	2.2
57.03443	19.1
59.05011	3.0
61.02937	15.0
67.05514	2.1
69.03440	28.8
69.07062	2.2
69.99349	7.9
70.06252	2.0
70.06600	19.0
71.01357	4.6
71.04998	3.1
72.08144	5.0
73.02928	100.0
81.03423	5.6
81.07093	3.1
84.04510	15.6
84.08161	9.5
85.02917	71.0
86.09717	6.7
87.04473	5.3
91.03951	5.1
91.05488	2.9
93.07043	2.2
95.04990	1.9
95.08628	1.9
96.04510	3.9
97.02908	53.7
98.03211	1.5
99.04444	4.2
101.07162	2.4
102.05561	2.8
105.03400	4.7
105.07012	1.8
109.02899	7.0
109.06521	12.7
112.08760	3.9
114.42475	1.5
115.03947	36.6
115.08657	1.7
119.04939	2.0
119.08583	2.6
120.08140	18.5
121.06503	2.7
121.08452	1.7
123.08103	1.8
124.03982	3.0
127.03939	30.9
129.10248	2.7
130.04987	2.3
132.06590	2.0
133.04987	43.0
136.07559	10.2
144.06630	1.9
145.04984	42.5
145.06215	2.9
150.07637	5.5
163.06061	16.6
171.07967	1.5
175.07561	2.5
180.08678	4.0
193.04933	2.5
193.09709	2.8
199.05994	1.4
205.12189	1.6
217.06934	1.8
223.06062	5.7
223.13293	3.2
241.07036	8.5
241.14500	1.6
253.10367	1.5
259.08200	8.7
277.09189	2.8
288.14401	2.8
295.10172	3.5
361.10822	1.5
389.10468	2.1
420.14368	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	420.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.8
52.46616	0.3
53.03951	2.6
54.13739	0.4
54.64313	0.3
55.01868	0.7
55.05499	0.4
57.03436	0.8
61.02906	0.4
69.03083	0.5
69.03432	5.2
69.97527	1.6
71.05002	0.6
72.08137	1.1
73.02896	0.8
75.22259	0.3
78.03030	0.7
78.03461	12.0
79.05505	0.6
80.05034	3.5
81.03424	8.9
84.08126	0.6
84.41359	0.3
85.02911	4.6
85.30745	0.4
91.05502	0.5
93.07085	0.5
96.04498	2.8
97.02891	3.2
98.20885	0.6
99.04472	2.3
105.03404	10.7
106.02923	44.0
107.04963	24.3
109.02895	6.7
123.08049	0.5
124.03963	100.0
125.04332	0.6
127.03931	4.7
145.04964	0.7
149.06003	0.7
162.62172	0.4
166.05089	0.4
173.39677	0.4
196.06093	0.6
201.41357	0.3
208.06039	0.7
223.13332	0.4
232.06126	0.6
249.37451	0.4
250.07132	15.4
259.51093	0.4
268.08179	33.8
269.08398	0.5
288.05920	1.0
297.06277	0.4
312.56326	0.4
331.11661	0.4
374.12332	2.9
402.12000	1.1
420.12949	59.5
421.12903	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
53.53509	0.7
54.59830	0.6
55.01873	0.7
57.03449	1.2
69.03434	9.3
69.20892	5.5
71.04999	1.0
73.02902	0.8
78.03465	7.1
78.14464	0.6
79.05496	0.9
80.05005	1.5
81.03421	11.1
81.07065	1.5
84.08129	0.7
84.15008	0.5
85.02913	7.8
86.09682	0.6
87.04467	1.0
96.04491	1.7
97.02909	2.6
99.04467	2.9
105.07063	1.2
106.02930	36.2
109.02888	7.5
109.06514	2.0
117.05510	1.2
122.02654	0.8
124.03969	75.0
125.04291	0.8
126.15812	0.6
127.03914	4.0
133.06546	0.9
135.04405	0.6
137.05992	100.0
153.07611	0.7
161.06000	2.7
164.13748	0.6
166.04962	0.7
167.07170	0.6
171.09554	0.6
176.83549	0.6
178.99947	0.6
193.08630	1.3
196.06009	0.8
200.04570	0.6
208.07010	0.7
218.05258	1.1
220.69455	0.6
221.04434	0.8
222.04857	0.9
231.06790	0.7
232.06160	2.3
233.04480	0.7
234.04753	1.4
235.06169	0.7
236.06438	0.8
250.07144	9.6
252.05902	1.2
258.07861	1.8
259.06042	0.7
268.08176	47.7
276.05801	0.6
278.07440	1.1
284.08026	2.0
288.05914	1.5
306.07019	0.9
330.07117	0.9
336.08057	0.7
349.09308	1.2
366.08997	0.8
367.10110	0.8
420.15115	9.9
420.20175	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67477	5.7
55.01868	16.4
55.05498	11.4
57.07082	8.6
65.44775	5.0
67.05505	22.1
69.03439	23.3
69.07077	19.2
70.06593	10.6
71.04996	28.4
71.52972	9.3
79.05499	29.5
81.03412	19.6
81.07066	100.0
83.08604	8.1
84.08153	10.5
85.02911	44.7
85.06548	17.5
87.00842	26.0
91.05489	20.1
93.07048	46.3
93.24200	6.2
95.04972	10.7
95.08618	31.0
97.02912	27.7
97.06544	21.9
99.04450	9.2
103.05491	7.7
105.01893	12.1
105.07022	34.9
107.04954	9.7
107.08604	55.6
109.02908	9.6
109.06535	9.4
109.10148	26.5
110.07134	7.7
117.07040	14.4
119.08596	41.5
121.10149	13.4
123.04416	8.9
123.08061	12.6
123.11726	24.4
125.09692	8.5
127.03918	19.9
127.11202	13.7
129.07007	10.5
131.08604	12.0
133.06529	8.9
133.10130	35.3
135.11697	98.7
137.06010	11.0
137.13289	10.3
139.03917	11.1
143.08557	8.3
143.10692	17.0
145.06529	7.3
145.10118	25.2
147.08122	8.4
147.11685	23.4
149.06010	6.9
151.07635	9.7
151.11150	5.9
153.12723	40.1
159.11723	9.1
161.06041	7.4
161.13281	11.7
165.12747	12.7
167.07054	24.4
168.07359	8.5
169.07556	7.6
173.05925	6.2
173.09628	18.8
173.13264	5.7
177.05453	8.4
177.12741	6.8
177.16443	8.3
181.04924	18.2
183.08058	6.2
187.07558	5.7
189.09143	7.4
191.07037	9.7
191.10603	6.1
201.09117	5.9
203.17950	42.2
209.08000	8.1
221.19006	56.5
231.05063	8.2
234.11990	6.1
243.13826	19.7
249.11333	10.8
261.14706	9.4
315.08676	12.7
330.10788	13.2
401.16226	9.3
419.12848	48.6
424.82437	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2646
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01874	4.9
55.05505	10.7
55.57780	3.0
57.03425	3.3
57.07080	3.8
57.68151	2.9
65.03943	3.9
65.93947	2.8
67.05500	10.2
69.03432	5.9
69.07065	11.7
69.58424	18.4
70.06588	8.7
71.04993	13.5
72.08146	3.0
77.03915	3.6
77.86864	3.2
79.05504	25.8
81.03418	6.4
81.07065	85.0
83.04988	3.1
83.08614	4.2
85.02910	10.2
91.05488	15.0
93.07055	38.4
95.04997	5.9
95.08617	30.4
97.02890	3.4
97.06566	10.7
97.10224	4.1
98.21426	4.8
99.04430	3.7
99.08105	6.8
105.06441	4.1
105.07047	27.7
107.04963	6.0
107.08614	53.3
109.10155	27.4
111.08030	3.0
116.07075	4.4
116.63789	2.7
119.08591	29.2
121.06510	4.0
121.10166	12.1
123.04440	11.2
123.11742	23.1
125.09651	6.5
127.03921	7.1
127.11215	19.4
128.33629	3.1
129.07008	4.0
131.08575	6.7
133.10152	29.9
135.11703	100.0
135.12738	6.2
137.09676	3.3
139.03922	33.7
143.10692	16.9
145.06508	4.4
145.10112	7.4
147.11697	21.2
149.02350	4.5
149.13280	6.1
153.05498	6.2
153.12784	5.9
159.08012	4.0
161.13284	17.4
163.04091	3.3
167.07076	11.1
169.07587	5.6
173.09772	3.3
175.07593	9.0
177.05511	3.9
181.04997	9.7
183.06555	7.8
191.06998	4.8
197.04488	5.2
203.10709	3.5
203.17984	54.5
205.08710	6.7
207.66791	3.0
209.08109	8.9
217.08676	5.7
219.10165	10.5
221.19011	69.5
233.11838	3.6
239.20100	9.1
249.11264	5.5
330.10938	8.5
369.13437	4.7
401.16293	7.0
419.14743	12.6
419.24152	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	419.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66500	0.3
53.03943	0.5
55.01878	0.7
55.05516	2.2
57.03436	0.9
58.99570	0.4
67.05515	4.8
69.03422	0.8
69.07077	0.7
69.82461	1.7
70.06593	1.2
72.08163	9.6
75.04486	0.5
76.02222	0.7
79.05077	0.7
79.05502	10.2
81.03423	0.8
81.07065	4.6
83.04992	2.7
86.09677	0.4
91.05489	3.5
93.07064	3.5
94.06597	0.4
95.04997	2.4
95.08595	0.6
97.06554	0.8
98.06066	0.9
98.09652	0.3
98.21451	0.4
105.03390	1.0
105.07047	5.2
106.02224	0.4
107.04973	2.2
107.08608	4.1
109.02895	0.4
109.06515	1.4
109.10188	0.5
110.09675	0.4
111.02679	0.5
111.04440	0.9
115.05489	0.4
116.07127	0.4
117.06977	1.8
119.08570	1.6
119.17788	0.3
121.02901	0.5
121.06525	0.8
121.10172	0.6
122.02707	0.4
123.04439	1.2
123.08096	0.7
128.07088	1.2
131.04910	0.4
131.08572	2.0
132.08096	0.7
133.06519	1.7
133.10094	0.5
135.08073	2.7
137.02354	2.0
137.04219	0.6
137.09552	0.4
139.05420	0.3
139.09929	0.6
143.08571	0.4
145.10127	2.3
146.02718	0.5
147.04430	0.4
147.08026	0.5
147.11690	0.6
148.76628	0.4
149.09659	2.0
151.03903	1.2
151.07594	0.4
152.04288	0.7
160.07597	6.3
161.06018	0.4
163.11203	0.4
173.09645	0.9
182.11749	2.5
185.05957	0.8
189.05566	0.6
191.10579	1.0
206.15436	10.7
207.10165	0.4
208.13222	0.4
213.05435	1.8
222.14879	1.1
224.16467	6.3
231.06493	0.5
235.06079	0.9
240.16110	0.4
241.05048	1.3
244.17053	1.3
246.18515	0.4
251.05348	0.4
262.18027	3.3
264.19589	1.8
269.04367	0.4
280.19098	9.4
281.06628	0.4
281.19348	0.5
282.20670	2.1
287.05527	100.0
288.05887	1.7
298.20169	4.9
304.09055	1.1
317.06702	0.5
351.14932	0.5
383.19995	3.6
401.21069	11.2
419.09647	1.4
419.15506	1.6
419.22040	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	419.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.6
55.01855	5.7
55.05516	9.0
56.05070	3.1
57.03443	6.0
57.07074	12.9
58.06612	4.3
58.74700	3.0
61.02930	6.2
62.15536	2.7
67.05518	12.8
68.99780	4.4
69.03448	23.3
69.07071	9.9
70.06603	66.0
70.94314	3.3
71.05009	18.5
71.51962	2.8
72.08163	32.6
74.90264	2.9
79.05502	27.7
81.03434	16.2
81.07067	21.4
82.06590	10.2
83.04987	2.7
84.08149	10.3
85.02924	41.5
85.06570	5.1
86.06072	5.0
86.09715	11.2
87.00843	18.6
87.02716	4.2
88.04006	3.5
88.07643	4.3
91.05492	22.8
93.07051	34.8
95.05005	6.1
95.08638	15.0
97.02898	17.8
97.06541	11.7
99.04469	6.7
105.01900	11.6
105.03404	13.8
105.07039	21.2
107.04978	16.2
107.08610	27.8
109.02867	9.8
109.06555	7.5
109.10172	8.8
110.07186	19.4
113.04256	5.6
114.05566	3.7
115.03954	5.8
115.36689	2.8
117.07022	6.7
119.08618	25.2
120.08113	16.1
121.06545	3.4
121.10161	4.1
123.04494	6.3
123.08122	3.6
123.11810	3.5
124.03965	6.1
127.03937	22.3
128.07091	59.6
129.06984	5.3
129.10268	10.2
131.08580	12.4
133.06512	7.2
133.10156	6.1
135.08087	3.4
135.11696	17.0
137.13289	5.9
139.05846	4.8
143.08588	4.9
145.05000	6.9
145.10144	12.2
147.08078	10.5
147.11720	7.9
149.09645	3.8
151.11227	4.6
153.12761	68.9
157.07558	3.4
157.10153	3.9
159.02878	3.8
160.07668	4.6
163.11160	5.8
165.12752	7.1
166.01237	3.3
166.06100	3.2
169.13411	7.8
171.13759	6.7
173.09636	12.3
175.07520	3.9
175.11058	6.3
177.05531	4.3
177.12698	3.1
189.09142	4.8
191.10654	5.5
197.13000	3.1
206.58792	2.7
206.60994	3.1
217.13394	6.8
225.09509	8.6
231.05020	6.6
243.13802	9.5
243.40987	3.2
245.12982	9.0
261.14893	9.5
266.10266	5.5
267.10626	14.3
272.16080	9.3
276.37180	2.9
280.19159	4.1
287.05542	100.0
296.16855	11.9
312.16486	4.8
314.17853	11.6
330.17349	12.3
332.13382	5.1
347.14972	6.3
365.16071	4.8
365.88574	3.1
383.17056	11.0
401.21411	17.0
402.19812	3.6
419.16125	4.4
419.22104	44.7
420.22366	10.8
422.42358	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.8
55.01880	9.9
55.05514	6.5
57.03440	9.9
57.07080	21.0
59.05009	12.4
61.02918	5.6
66.59753	1.8
67.05503	14.6
68.99818	2.5
69.03088	3.0
69.03439	43.4
69.07069	14.9
69.37608	2.0
70.06612	8.8
70.96870	4.4
71.04988	7.9
72.08152	6.1
72.65881	1.9
73.02915	7.5
77.13865	1.9
79.05492	2.5
81.02991	3.3
81.03426	43.6
81.07063	9.7
82.95599	1.9
83.08622	6.3
84.08164	2.8
85.02916	70.1
85.06563	11.4
86.09706	4.3
87.00838	26.9
91.03945	2.5
91.05473	2.6
93.07044	7.1
95.04939	3.9
95.08618	68.4
97.02895	25.8
97.06549	7.2
99.04467	14.0
99.08124	16.1
105.01878	21.5
105.07056	3.5
107.08631	11.7
109.02900	38.5
109.06535	5.9
109.10181	16.4
110.07184	5.4
111.08075	8.2
111.11720	6.1
113.09659	74.6
115.03954	4.0
116.07061	1.8
117.01824	3.6
119.08562	3.2
121.06548	2.5
123.04395	2.5
125.09634	2.1
127.03931	57.3
127.11207	7.7
129.01845	3.2
129.10219	3.5
135.11699	14.4
137.13226	11.1
145.04970	24.7
147.02905	3.8
153.12761	100.0
155.14331	36.7
155.41660	1.8
159.02921	25.5
161.04439	3.4
163.03906	1.7
171.13824	19.4
177.12685	2.6
181.04662	2.0
205.12300	3.1
213.03941	3.0
213.14810	3.7
223.13336	3.6
231.05025	14.1
242.29018	1.9
247.04388	2.1
330.15472	2.1
409.13782	1.9
419.18927	7.6
419.33008	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	419.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.2
55.01876	5.2
55.05503	1.8
57.03448	4.0
57.07082	38.2
58.06593	0.7
59.05001	1.3
61.02910	2.6
65.03931	0.7
67.05494	2.8
68.99786	2.3
69.03089	1.0
69.03438	17.5
69.07078	3.6
69.15905	6.8
70.06588	0.7
71.05002	6.0
73.02910	2.1
73.06556	0.7
79.05482	2.4
81.03422	15.7
81.07056	5.1
81.42771	0.6
83.04966	0.7
83.08620	2.1
85.02916	24.5
85.06551	8.5
86.09724	0.8
87.00838	10.7
87.04462	0.7
91.03923	0.9
91.05486	2.2
93.07057	5.5
95.04982	1.6
95.08621	5.6
97.02905	9.3
97.06537	15.7
99.04467	4.6
102.16739	0.7
103.05472	1.0
105.01871	5.9
105.07053	1.4
107.04970	2.0
107.08603	6.5
109.02890	13.2
109.06515	1.4
109.10178	4.8
111.08056	1.1
111.11770	0.8
115.03963	1.5
117.01897	1.7
117.07013	0.7
119.08562	0.7
121.06490	1.1
121.10243	0.7
123.04458	1.2
123.11671	1.2
125.05953	1.1
127.03930	20.7
129.01860	2.5
129.07004	1.0
131.04926	0.8
131.08533	1.4
133.06467	1.2
135.11703	11.2
137.05983	1.1
137.09654	0.8
137.13260	2.0
145.05006	5.7
145.06102	0.8
145.06485	0.6
145.10051	0.8
146.17523	0.7
147.02943	1.4
147.04428	0.8
149.06007	1.4
151.03917	0.9
151.11259	1.0
153.12761	100.0
154.13043	1.1
159.02892	8.0
159.08072	1.4
161.05988	1.0
163.07512	0.9
165.05504	0.9
167.07063	11.9
168.07410	1.7
169.07594	1.7
169.12207	1.4
170.12560	0.8
171.13853	11.2
173.06038	1.3
175.07628	1.0
181.04971	4.5
183.06583	1.8
187.07622	0.8
189.09058	0.8
191.07083	2.5
193.17186	0.6
195.10127	0.6
201.05640	0.8
209.08159	1.7
217.08752	1.2
219.10173	1.4
226.61157	0.6
231.05000	3.9
249.11237	3.2
287.05533	31.9
288.05887	0.9
315.08505	3.1
330.11069	4.9
333.11798	0.8
369.13419	0.9
383.14911	1.3
389.15048	0.8
401.16046	2.5
419.16312	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	419.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.5
55.01864	21.1
55.05505	15.5
57.03431	13.2
57.07066	14.4
61.02930	5.6
61.31330	4.3
67.05501	14.4
67.40678	3.9
68.99808	7.1
69.03432	56.4
69.07066	19.7
70.06583	6.4
70.82402	9.2
71.05000	50.9
75.20692	4.5
77.32388	5.0
79.05489	25.0
81.03427	34.5
81.07063	51.8
83.04987	10.8
83.08617	9.7
85.02910	90.2
85.06538	12.6
87.00835	46.1
91.05485	29.5
93.07059	54.3
95.04979	14.0
95.08605	23.2
96.32133	4.2
97.02901	29.9
97.06528	26.2
98.06853	7.0
99.04480	12.8
101.02367	5.3
105.01894	40.5
105.07040	40.4
107.04966	11.9
107.08617	49.4
109.02856	22.2
109.06530	15.6
109.10169	13.1
110.07127	9.2
111.04427	5.8
111.08105	5.7
115.03942	17.8
117.07026	14.9
119.08582	51.6
121.06519	17.8
121.10145	11.3
123.04434	14.1
123.08096	9.1
123.11705	6.9
125.06004	18.3
127.03915	39.8
128.06221	5.7
129.06979	9.4
130.07817	5.3
131.04910	6.4
131.08568	20.1
133.06482	10.9
133.10107	6.1
135.08067	8.0
135.11702	35.7
137.05969	8.1
137.13298	12.0
139.07617	6.0
143.07008	6.2
143.08603	13.3
145.04939	10.3
145.06528	5.5
145.10133	42.1
146.10442	12.8
147.08028	12.9
147.11690	16.7
149.09569	7.8
151.03822	8.7
151.07449	5.6
151.11189	11.6
153.12759	100.0
155.08499	9.1
155.14223	4.8
157.10100	6.7
158.07234	6.7
159.02910	8.8
159.08034	13.6
159.11693	9.7
160.11966	7.2
163.11191	18.7
164.11533	11.9
165.12721	29.7
167.07089	20.2
168.07378	8.5
169.10162	4.5
171.08104	10.5
171.11707	9.2
173.09633	45.7
174.10010	20.4
175.07600	10.2
177.12805	9.9
181.04970	11.0
181.12212	5.5
183.08003	7.0
187.11215	8.0
188.11505	9.9
189.12822	9.1
191.10692	14.7
192.10992	5.3
197.13292	5.4
201.04034	5.8
201.12779	7.0
205.12381	6.9
206.12524	8.1
216.11125	8.0
219.13831	9.5
231.04991	12.4
233.11743	10.5
234.12151	22.6
243.13803	25.9
249.11295	4.7
252.13116	12.8
261.14877	11.7
279.15955	9.4
287.05362	5.1
297.17017	5.6
330.10941	7.6
339.18082	6.1
347.15109	11.0
365.16025	16.1
383.16830	14.1
399.84772	5.2
419.16025	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	419.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
55.05500	1.7
55.37507	0.4
56.59525	0.4
57.03439	0.5
59.04996	1.3
67.05522	1.0
69.03422	1.9
69.07066	2.1
69.73507	0.5
69.73795	2.7
71.04605	0.7
71.04997	11.5
73.06569	3.5
74.55715	0.5
79.05512	4.5
81.03409	0.9
81.07063	16.9
83.08635	0.6
85.02912	5.4
85.06515	0.6
87.00851	3.1
91.05479	2.0
93.06478	0.8
93.07050	12.5
95.04960	0.5
95.08600	2.1
97.02876	1.1
97.06520	1.1
98.21455	0.9
105.01876	3.1
105.07014	0.5
106.49567	0.5
107.08607	11.2
109.02878	1.0
109.06524	0.6
109.10151	2.0
110.07156	0.5
127.03922	2.3
129.80399	0.5
135.11703	20.6
145.04982	1.1
145.06464	0.6
153.12759	100.0
154.13127	1.1
167.07014	2.9
168.07375	1.5
169.07678	1.2
181.05020	1.0
200.00328	0.5
249.06093	0.6
249.11244	0.6
273.63010	0.6
287.05466	3.6
330.11166	0.9
419.16071	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39235	1.9
53.03944	5.8
55.01879	10.0
55.05523	7.2
57.03424	6.2
57.07081	36.0
59.04995	2.6
61.02917	4.8
67.05500	4.4
68.99783	3.8
69.03088	2.2
69.03438	34.7
69.07076	7.3
69.79284	5.1
69.79690	3.3
71.04995	22.9
73.02917	7.2
73.26170	1.6
76.42973	1.5
79.05495	9.1
81.03426	25.2
81.07069	20.2
83.08629	1.4
85.02917	58.3
85.06551	8.2
86.09676	1.5
87.00836	28.9
91.05500	10.6
93.07054	21.4
95.04964	3.6
95.08613	14.4
97.02896	20.9
97.06554	13.5
99.04453	6.2
103.03963	2.3
105.01875	21.5
105.07053	17.0
107.04947	4.2
107.08610	24.5
109.02888	18.1
109.06517	6.8
109.10142	7.0
111.08080	3.9
115.03967	9.0
115.05478	2.1
117.01860	1.9
117.07027	5.7
119.08584	19.0
121.06490	5.1
121.10150	3.9
122.80397	1.6
123.04475	2.1
123.08038	3.3
123.11742	2.1
127.03934	35.8
128.06265	3.7
129.01822	5.3
129.06937	2.9
131.08566	7.6
133.06506	3.7
133.10164	3.1
135.08093	2.0
135.11717	19.8
137.09598	2.0
137.13274	9.8
143.08562	7.1
145.04953	6.7
145.06485	2.7
145.10123	11.2
147.02861	1.7
147.08078	8.5
147.11656	4.0
149.06155	1.6
149.09573	2.9
151.07596	2.5
151.11156	5.7
153.12762	100.0
155.08537	3.7
155.14307	2.7
159.02893	9.5
159.08046	4.5
159.11681	3.2
161.09723	2.2
163.11200	4.9
165.12759	12.9
167.07091	4.3
169.11691	1.7
171.08067	6.4
171.11745	2.2
171.13799	9.9
173.09631	17.1
173.13274	4.1
175.07516	3.2
175.11267	2.5
177.05449	2.4
177.12759	6.2
181.04942	3.1
183.08138	1.7
189.03795	2.5
189.09134	1.9
189.12749	4.3
191.10677	5.9
195.13840	2.2
197.13309	3.2
201.03999	7.3
201.12738	2.1
207.13803	2.5
209.08121	2.2
209.11731	3.1
213.03967	2.1
215.14394	2.0
219.05087	2.8
219.13806	2.4
225.12529	1.6
231.04955	8.2
231.13823	3.5
243.13814	14.7
249.11205	3.8
261.14832	12.1
279.15912	4.3
287.05603	11.2
297.16962	3.7
321.17126	2.0
339.17850	2.9
341.39865	1.6
347.14929	7.3
365.16119	11.3
383.16925	7.1
394.94492	1.8
401.17896	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	419.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01877	5.4
55.05506	2.1
57.03426	3.7
57.07079	43.1
59.05013	1.5
61.02926	2.3
61.47873	0.8
65.03938	1.0
67.05494	2.5
68.99790	2.3
69.03433	16.5
69.07077	3.3
69.86254	2.8
69.86671	1.4
71.04996	8.3
72.08127	0.9
73.02923	3.9
79.05497	3.2
81.03422	18.3
81.07058	5.2
83.08623	3.4
84.08162	1.2
85.02911	25.9
85.06551	12.1
87.00835	11.9
87.04465	1.3
91.03929	1.1
91.05480	1.0
93.07034	5.2
95.08603	6.5
97.02900	10.2
97.06538	16.9
99.04463	4.7
103.50799	0.9
105.01888	7.9
105.07040	2.2
107.04923	2.1
107.08578	6.9
109.02888	15.2
109.10166	7.2
111.08116	1.6
115.03941	2.2
115.05462	0.9
117.01874	1.8
123.04485	2.2
123.11688	1.7
126.27814	0.9
127.03930	25.1
129.01857	2.0
133.10121	0.9
135.03220	1.0
135.11702	10.9
137.05998	1.2
137.13266	2.6
139.03902	1.1
139.07501	0.9
145.04980	5.6
145.06303	0.9
145.43898	0.8
147.02881	1.5
151.03903	1.3
151.11183	1.0
153.12756	100.0
154.13150	1.2
155.14310	1.0
159.02933	6.8
159.08058	1.6
167.07069	6.4
168.07376	1.1
169.12370	1.8
171.13823	15.6
173.06047	1.2
177.05501	1.4
181.04945	4.1
183.06648	1.4
187.07570	1.2
191.07060	2.1
209.08092	2.4
213.03871	1.3
217.08594	1.7
228.02194	0.9
231.04971	4.6
249.11258	5.0
287.05530	43.7
315.08530	2.0
330.11166	4.2
369.13168	1.4
389.15546	1.2
401.16281	3.3
419.18466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.7
55.01872	6.8
55.22894	1.7
58.06602	1.9
65.03945	3.4
65.49330	1.8
70.78353	4.9
73.84773	2.1
77.12241	1.6
78.09613	1.7
79.05489	7.5
81.03416	2.9
81.07043	1.8
91.05505	3.5
93.07050	1.9
95.04932	2.8
103.05462	2.9
105.07017	2.7
107.04985	11.3
115.05432	4.9
117.07027	3.3
117.11249	1.7
123.04426	5.5
124.05258	2.3
129.07047	2.9
131.04916	5.6
131.08545	6.2
133.06572	3.2
135.04422	6.8
137.05986	2.7
141.06976	3.0
144.05679	3.4
145.06473	6.5
147.04491	2.4
149.02281	3.4
149.05972	3.9
151.03877	2.5
152.04637	4.0
153.05428	2.1
156.05695	5.8
157.06490	2.2
158.07256	2.2
159.08090	9.5
161.06026	3.0
167.07062	62.0
168.07355	3.3
169.07703	1.9
173.06026	8.6
175.07555	1.9
177.05455	6.6
181.04941	16.9
181.06531	3.7
181.08385	2.5
183.06485	6.3
187.07533	10.7
189.05611	1.8
191.07069	7.6
193.08595	2.5
195.06529	2.6
197.04475	5.9
199.07350	1.8
201.05443	2.5
203.06958	3.8
205.06824	2.3
205.08479	8.4
207.06433	3.0
208.05237	12.5
209.08139	11.1
213.05434	2.0
217.08597	14.3
219.08125	2.7
219.10159	5.6
221.05919	2.3
221.08083	1.8
225.05475	1.7
231.08110	3.8
231.10182	5.7
236.04634	9.0
238.06235	1.9
239.07173	2.5
247.07535	4.0
247.09708	13.8
248.08369	4.6
249.07626	7.4
249.11235	12.0
254.05766	7.6
255.06667	1.7
262.09918	1.9
263.07071	2.0
263.10870	4.0
264.07660	2.8
265.08521	2.7
267.06467	3.5
268.03711	2.7
269.08127	24.3
271.06027	2.5
271.09668	3.1
272.06726	4.8
275.06989	4.4
276.07776	3.5
277.08615	4.0
279.10056	2.1
282.05280	2.3
282.08813	6.7
285.07498	2.3
287.05573	21.7
287.08765	2.7
290.09436	2.1
291.10226	5.1
292.07227	2.0
293.08102	5.6
300.06262	2.5
305.08148	2.1
307.09518	4.9
310.08325	5.2
315.08646	79.6
319.09753	3.0
323.12793	5.8
328.09332	3.8
330.10992	100.0
331.11646	4.1
337.10739	2.3
339.12265	4.7
341.13950	2.2
343.11826	9.1
351.12320	10.3
352.12799	2.5
369.13205	9.6
371.15298	2.2
383.14886	16.3
401.11523	3.8
401.16464	13.4
419.16699	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	419.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25945	1.8
53.03932	2.5
55.01875	9.0
55.78143	1.6
57.03436	3.0
67.05494	2.1
69.03434	2.1
70.06612	2.1
71.04986	1.7
71.53551	3.1
71.61938	1.4
72.08150	3.4
73.02932	9.9
79.05500	5.9
81.07037	2.9
81.77713	1.7
85.02909	4.7
86.09737	2.1
91.05475	3.7
93.07050	2.8
95.04982	3.4
95.08592	2.6
103.05462	3.7
103.30927	1.5
105.07035	5.0
107.04974	12.4
110.07175	3.4
115.05472	4.8
117.07020	3.0
121.06530	2.6
123.04442	10.5
124.05225	2.8
127.34769	1.5
128.06192	2.5
129.07031	6.2
129.10281	1.8
131.04933	2.5
131.08586	8.5
133.06505	3.8
136.31940	1.6
137.06018	2.6
140.04758	2.3
141.07028	2.2
144.05707	5.9
145.06500	7.0
147.04453	3.6
148.05240	2.2
149.05946	2.6
151.03911	5.4
153.12798	4.2
156.05727	4.9
157.06473	2.1
159.08083	10.1
161.06004	5.4
163.07602	2.1
167.07066	46.9
169.07632	2.2
170.07317	4.8
171.08031	2.8
172.05106	2.3
173.06055	5.3
177.05490	7.7
179.07135	2.0
181.04982	19.3
183.06532	10.2
183.07950	1.7
187.07556	11.5
188.86948	1.7
189.05489	2.2
189.07059	1.6
189.09140	2.0
190.06270	2.0
191.07068	12.9
203.07057	2.4
204.07748	3.6
205.08559	10.0
208.05254	7.2
209.08122	21.0
217.08665	10.9
218.07361	3.0
218.09319	2.4
219.08243	3.0
219.10202	5.8
221.08192	2.6
225.56026	1.6
231.08180	2.6
231.10172	5.4
235.07570	2.0
235.09633	3.0
236.04694	2.8
247.07547	4.3
247.09740	5.4
248.08253	2.3
249.08752	3.6
249.11243	49.1
250.11496	1.9
254.05719	2.7
263.07120	1.9
263.10577	2.1
264.07864	3.3
265.08438	2.0
265.10965	2.4
267.06564	2.2
269.08105	7.1
272.06964	2.3
277.08771	3.1
279.10132	3.9
282.08881	2.4
287.05530	100.0
291.10199	2.9
307.09607	4.6
308.10413	1.7
311.12656	1.6
315.08633	26.1
319.09344	2.0
323.12982	2.6
330.10953	39.0
331.11606	2.1
337.10690	2.4
339.12222	2.7
343.11731	2.2
351.12280	5.4
369.13293	9.9
383.14920	8.8
389.15771	4.1
401.15997	23.3
419.16776	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	419.1706
Annotation	CHEBI:67622
Peak:m/z	Relative Intensity
53.03942	4.0
55.01666	2.0
55.01876	21.0
57.03418	2.7
57.07065	6.9
58.06604	3.4
65.03938	6.6
67.05496	3.6
69.03423	6.5
70.06580	3.5
71.04993	3.4
71.53245	1.9
72.08135	2.6
73.02915	2.8
78.04687	2.8
79.05491	12.7
81.03430	13.6
81.07058	4.2
82.04183	2.2
83.04974	1.8
84.45550	2.1
85.02900	12.0
85.06523	4.5
86.94066	1.8
87.00825	2.8
91.05493	11.3
93.03399	2.2
93.07045	5.0
95.04959	8.4
95.08598	3.0
97.02882	5.7
97.06532	5.5
98.64223	2.2
102.78445	2.0
103.05475	11.0
105.04526	2.3
105.07020	7.4
106.04195	2.3
107.04974	23.1
107.08613	4.4
109.02887	3.2
109.06553	1.9
109.10156	2.6
110.03682	3.0
110.07170	3.5
111.04433	2.2
112.90519	1.9
115.05434	7.7
116.06216	3.6
117.07021	8.6
118.04185	3.0
119.08630	2.9
119.92433	1.9
121.06527	6.2
123.04436	13.2
124.05226	3.2
125.05958	3.2
127.03959	3.4
128.06200	5.0
129.07027	10.0
131.04941	10.8
131.08580	13.9
131.20692	1.9
133.06499	6.8
133.10217	2.6
135.04361	2.5
135.11699	4.8
137.02394	1.8
137.05984	5.3
138.03116	3.0
139.03914	2.0
140.04681	3.7
141.06926	4.6
144.05740	9.5
145.06479	9.7
146.07234	2.5
147.04353	2.3
148.05205	5.6
149.05972	7.3
151.03931	3.8
151.07529	6.9
152.04655	2.1
153.06979	2.8
153.12775	16.4
155.05959	2.3
156.05649	2.6
157.06552	5.2
159.08060	19.1
161.06053	10.8
163.03954	2.4
163.07559	7.5
165.05515	14.7
167.07063	100.0
168.07417	17.4
169.07646	10.9
170.07237	3.7
171.06644	3.6
171.08035	4.4
171.13771	2.8
173.05995	15.0
174.06558	4.0
175.07626	3.4
177.05457	22.1
179.07048	3.3
181.04980	52.4
181.08606	2.8
183.06561	14.6
187.07512	12.2
189.09122	6.5
190.06216	2.8
191.07062	41.5
193.08607	6.4
203.07053	4.4
204.07861	4.9
205.06873	2.2
205.08638	13.0
206.09035	2.0
208.05183	2.9
209.08095	42.2
217.08574	12.1
219.08067	6.0
219.10179	13.1
221.06047	2.2
221.08069	7.3
221.11803	3.2
231.10150	5.2
234.06618	3.4
235.07497	3.4
247.07413	4.5
247.09631	8.7
248.08327	4.0
249.08751	4.6
249.11252	76.6
262.06131	2.2
263.07007	4.3
264.07745	4.9
265.08469	3.8
267.10468	2.5
269.07974	4.7
276.07895	2.7
277.08521	4.8
279.10147	5.0
287.05530	70.1
291.10040	5.7
292.07236	2.5
295.09601	4.1
305.08215	3.0
307.09628	6.4
308.10461	3.9
309.11118	3.6
311.12918	2.6
315.08609	15.1
330.11069	21.0
337.10757	4.9
339.12250	4.0
351.12332	6.3
369.13367	23.9
371.14969	3.3
383.14798	7.7
387.14432	2.6
389.15543	10.4
401.16037	42.3
419.16241	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	419.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19505	4.5
55.01878	10.4
57.03434	5.5
69.49916	8.3
69.50320	25.8
78.88376	5.4
81.03420	6.0
81.05336	5.0
85.02897	21.0
97.02908	8.6
105.03400	6.0
105.15579	5.1
109.02855	9.1
119.04914	7.8
121.02872	11.1
123.04417	8.1
128.07164	4.9
135.28752	5.6
139.03880	6.3
141.05426	6.6
141.06990	5.9
147.04417	12.3
159.04471	6.0
161.06027	13.8
163.03867	13.0
165.05449	8.5
171.04440	15.1
175.03966	20.7
177.05518	8.6
179.07065	6.1
181.04987	5.2
185.05936	8.9
187.03929	23.5
189.05446	23.8
191.03474	10.2
193.05011	16.8
199.03918	8.9
201.05482	8.0
203.03438	20.2
205.05009	47.0
207.06389	8.6
209.04445	13.2
211.04002	5.3
213.05501	19.3
215.03404	17.4
217.05020	37.8
219.02933	8.0
219.06413	6.8
221.04453	67.0
223.06079	18.5
227.03453	6.6
229.05023	14.0
231.06558	25.5
233.04453	96.5
235.06039	77.2
241.04970	14.9
245.04506	23.5
247.05997	21.0
249.07547	11.1
251.05548	80.2
255.06685	6.8
257.04471	15.4
257.09995	9.9
259.06082	46.8
261.04147	8.1
263.05551	37.4
271.05994	21.3
273.07547	11.7
275.05475	54.0
277.07080	47.4
281.06595	62.8
283.05997	10.8
287.05536	100.0
289.07092	25.9
299.05362	41.4
301.07047	31.4
305.06595	93.6
317.06656	46.3
319.08142	14.3
329.06473	39.6
335.07599	55.7
347.07559	29.9
353.08533	16.7
359.02686	10.2
365.08618	30.9
383.09827	43.1
401.10675	7.0
419.16568	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	419.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.1
59.71607	3.5
69.03409	4.3
69.18958	14.3
69.19383	22.5
85.02928	20.0
92.60320	3.8
93.03402	6.2
97.02888	8.8
105.03364	6.4
109.02879	6.5
119.04965	4.2
121.02882	11.2
123.04401	7.7
131.04953	5.3
131.08557	4.0
135.04477	8.0
137.05989	100.0
139.03955	5.4
145.06557	3.9
147.04427	10.0
151.03937	5.2
159.04437	7.4
161.06013	6.6
163.03912	9.3
171.04410	16.0
175.03941	20.3
177.05473	14.9
185.05959	10.1
187.03912	16.6
189.05484	20.1
191.03424	5.9
193.04973	10.8
199.04010	6.3
201.05492	10.2
203.03465	20.7
203.07021	6.6
205.04962	38.4
207.06595	5.7
209.04477	17.1
213.05519	7.8
215.03351	15.0
217.04977	35.6
221.04453	67.0
223.06027	11.7
227.03470	6.1
229.05028	10.8
231.06535	15.1
233.04477	91.5
235.06032	53.4
241.04881	18.2
245.04402	16.5
247.06081	14.8
249.07634	8.3
251.05537	60.2
253.07191	8.0
259.05988	36.4
260.62280	4.4
261.04044	5.2
263.05527	32.6
269.04395	8.7
271.06012	13.2
273.07520	7.9
275.05518	31.8
277.07104	41.4
281.06625	39.4
283.06085	9.6
287.05530	64.3
289.07144	21.9
299.05502	31.9
301.07126	24.8
305.06555	72.4
311.05344	7.4
317.06598	37.9
319.08188	13.0
329.06500	23.7
331.62723	4.1
335.07642	36.2
347.07602	25.5
353.08359	9.3
365.08554	23.5
383.09790	29.5
401.11069	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	419.0978
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
53.03959	0.6
55.01860	1.1
57.03444	2.8
58.06594	0.3
61.02939	1.9
64.07247	0.3
65.03935	0.4
65.55075	0.3
67.05474	0.6
68.99783	0.7
69.03425	1.0
69.07043	0.3
70.06602	0.4
71.01344	0.3
71.04625	0.6
71.04991	0.7
72.08153	0.5
73.02924	11.8
79.05489	0.9
81.03407	0.6
81.07050	0.8
85.02905	2.1
86.03161	0.3
91.05476	0.7
93.07052	0.6
95.04978	0.8
95.08626	0.5
97.02915	0.7
97.06525	0.5
97.40084	0.3
99.04449	0.5
101.16843	0.3
103.05486	0.5
104.05832	0.4
105.01878	0.5
105.03405	1.5
105.07043	0.7
107.04949	1.3
107.08568	0.5
109.02888	0.9
109.10199	0.3
110.07153	0.3
111.00783	0.7
115.03914	1.1
117.07035	0.4
121.02862	2.1
121.06518	2.3
121.10107	0.3
122.06824	1.5
123.04404	1.6
127.03927	1.2
129.07008	0.6
131.08588	0.8
133.02872	0.7
136.07545	0.3
137.02383	0.7
144.05719	0.4
145.06497	0.5
147.04420	1.1
149.02371	0.4
149.06001	0.5
151.03854	0.4
153.01842	3.5
153.12756	1.1
157.06546	0.9
159.08057	1.3
161.05972	0.6
161.09583	0.4
165.01816	1.7
167.07057	4.3
171.13838	0.7
173.06017	0.4
175.07574	0.4
177.05513	1.2
181.04971	1.1
183.02902	1.0
183.06555	1.4
185.05949	0.8
187.07541	0.9
189.09245	0.5
191.07054	0.4
203.07024	0.5
204.07816	0.5
205.08606	0.9
205.62308	0.3
209.08147	1.0
213.05423	1.3
217.08641	0.7
219.08142	0.7
219.10165	0.6
221.07922	0.4
231.10217	0.7
234.07005	0.4
241.04951	0.9
247.09921	0.4
248.08377	0.4
249.11255	6.7
256.13367	1.1
257.13675	2.5
258.05313	0.7
264.07709	0.4
269.08151	0.7
270.58630	0.3
277.85333	0.3
279.10330	0.4
287.05515	100.0
288.05817	1.2
293.08041	0.5
301.07123	0.4
302.65079	0.4
309.64084	0.3
315.08691	2.0
330.11084	2.3
337.10706	0.3
369.13367	1.2
389.15881	0.3
401.15915	3.5
419.17371	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03141	0.3
54.95213	0.3
55.01885	2.1
55.05499	0.4
57.03441	3.0
57.07064	0.9
58.66253	0.3
59.04998	0.4
61.02909	0.9
61.66101	0.3
63.72946	0.3
68.99791	0.7
69.03429	2.7
69.07067	0.4
70.06615	0.5
70.57993	0.3
71.01355	0.7
71.04986	1.1
71.52511	0.5
72.08133	0.3
73.02908	2.4
74.74334	0.3
79.05477	0.8
81.03429	0.9
81.07053	1.5
85.02906	4.1
86.09709	0.5
87.00826	0.7
87.04494	0.4
91.05471	0.9
93.07038	1.0
95.04939	0.4
95.08611	0.8
97.02907	1.3
97.06535	0.7
105.07050	0.9
107.04955	0.7
107.08588	1.0
109.02900	0.6
110.07163	0.5
111.00817	0.6
115.03959	1.8
119.08570	1.1
121.02848	2.9
121.06493	0.4
123.11706	0.4
124.72154	0.4
127.03931	1.0
129.06987	0.5
131.08597	0.5
133.02919	0.4
133.04962	1.8
133.10123	0.3
135.11681	1.1
137.02336	1.1
145.05045	0.3
145.06480	0.5
145.10159	0.3
147.04401	0.8
153.01828	4.5
153.12730	2.5
157.06447	0.5
165.01862	1.5
165.12752	0.6
167.07024	0.7
167.77725	0.3
171.13885	0.4
173.09691	0.4
177.12723	0.3
181.04907	0.4
183.02905	1.0
185.06000	0.4
213.05452	1.4
231.06609	0.7
241.04976	0.9
258.05258	1.1
259.06018	0.6
269.53320	0.3
287.05524	100.0
288.05811	1.4
315.08777	0.4
330.10925	0.9
347.78293	0.4
354.25790	0.4
385.47919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0976
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
53.79189	0.2
57.03439	0.7
61.02937	1.4
68.99786	0.5
69.03419	0.5
69.65762	1.7
71.01339	0.4
72.08172	0.4
73.02926	12.7
85.02898	0.7
87.61784	0.2
95.44896	0.3
97.02861	0.3
98.21526	0.3
98.27634	0.2
101.55261	0.3
107.04958	0.5
109.02867	0.2
111.00790	0.8
112.47957	0.3
115.03919	1.0
118.07389	0.3
121.02897	2.5
127.03813	0.4
129.07013	0.3
133.02864	0.6
137.02362	0.8
147.04419	0.6
153.01854	3.2
155.87473	0.3
157.06451	0.4
165.01888	1.9
167.16055	0.2
183.02890	0.6
185.05913	0.4
213.05490	1.3
214.39108	0.3
231.06508	0.6
241.05006	0.7
258.05246	0.8
259.06104	0.7
264.52808	0.3
269.04288	0.4
287.05518	100.0
288.05768	1.4
419.07764	0.4
437.55313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0978
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
53.03943	0.3
54.03402	0.1
55.01862	0.2
55.05492	0.5
57.03444	0.2
65.52665	0.2
67.05510	0.9
69.03378	0.2
69.90935	0.8
70.06600	0.3
72.08160	1.5
79.05513	1.7
81.03414	0.4
81.07073	0.9
83.04962	0.4
88.90506	0.2
91.05459	0.7
93.07044	0.5
95.04960	0.5
97.06492	0.2
98.21580	0.3
105.07059	0.8
107.04945	0.6
107.08604	0.8
109.02876	0.3
115.05438	0.2
117.07015	0.6
119.08527	0.2
121.02882	0.2
121.06516	0.2
121.10146	0.2
123.04417	0.3
129.06989	0.2
131.08551	0.4
133.06541	0.3
135.08066	0.6
137.02356	2.3
141.06964	0.2
145.10100	0.6
147.04446	0.2
147.08087	0.2
147.11668	0.2
149.02351	0.4
150.03217	0.2
157.06496	0.4
161.05917	0.5
169.06435	0.2
173.09608	0.3
175.03917	0.3
182.11812	0.5
185.05960	1.0
189.05469	0.6
200.12875	0.2
206.15407	2.0
213.05513	2.1
222.14917	0.2
224.16483	1.3
231.06544	0.8
241.04948	1.1
242.05827	0.3
244.17038	0.3
259.05994	0.2
262.18021	0.4
264.19742	0.2
269.04550	0.3
280.19131	1.6
282.20895	0.3
287.05518	100.0
288.05881	1.0
298.20184	0.8
315.20474	0.2
383.20038	0.6
394.23926	0.2
401.21152	1.9
419.09723	1.4
419.22028	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	20.6
57.03429	19.8
57.46329	7.1
59.95428	6.2
65.75713	6.7
67.05508	55.4
69.07081	82.7
69.79185	16.1
69.79586	35.8
70.06599	48.1
71.04995	29.1
73.02922	17.8
78.27174	7.7
79.05495	66.6
81.03419	17.6
81.07068	57.6
83.04977	13.1
83.08644	7.5
90.05592	7.3
91.05493	32.3
93.07057	32.9
95.04960	14.9
95.06086	9.8
95.08612	29.5
97.06540	100.0
97.10173	7.2
99.08118	10.3
105.07034	27.4
107.04974	13.0
107.08599	22.7
109.06512	13.6
109.10158	12.0
115.07584	71.3
116.07089	27.9
117.07071	12.2
119.08592	28.1
121.10168	20.5
123.04450	21.6
131.08565	24.2
133.06508	7.0
133.10141	18.5
135.11749	13.4
145.10062	10.5
147.11714	8.1
149.13290	15.9
161.06030	9.6
167.07068	87.2
168.07394	56.2
173.05898	7.0
173.13292	8.3
177.12761	7.1
181.05008	37.3
182.05287	20.8
191.06985	8.8
195.40526	7.9
214.75806	7.0
217.16005	10.0
219.10188	10.1
220.61682	7.9
235.97006	7.1
269.17413	11.7
273.18512	13.5
280.21387	6.8
291.19662	10.7
297.17090	19.6
306.27112	7.2
315.66959	7.9
365.23145	13.9
378.80798	7.4
388.14474	13.9
400.18155	10.6
400.87634	7.2
418.15845	35.1
418.30698	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.3
55.05509	6.5
58.06604	3.3
67.05498	5.8
69.03432	9.2
69.07076	17.6
69.15121	9.6
69.15531	23.2
70.06590	6.0
71.04984	6.5
72.08173	6.2
78.04713	4.4
79.05488	18.5
81.03400	6.0
81.07060	13.8
82.07372	2.7
83.04990	13.8
84.08114	4.1
85.02912	10.1
87.00836	3.8
91.05482	13.1
93.07042	12.9
95.04956	10.6
95.08591	4.8
95.42525	2.8
97.02896	3.9
97.06542	35.9
99.04473	16.2
103.05497	8.2
105.01893	3.5
105.03388	4.1
105.07031	22.5
107.04977	14.9
107.08603	12.6
108.05343	3.7
109.06524	6.1
109.10065	3.6
111.04496	3.6
112.75351	3.4
115.05453	5.8
117.07023	11.8
119.04915	5.7
119.08583	6.8
121.06519	15.4
123.04442	10.8
125.06019	23.5
127.03945	6.3
129.07007	6.4
130.07768	3.4
131.04933	9.1
131.08586	13.3
133.06506	8.1
133.10135	6.7
135.11757	4.7
137.06026	7.8
143.07071	25.0
143.08614	6.8
144.08105	14.0
144.09222	3.9
145.06477	12.5
145.10150	41.8
147.08127	4.1
149.09651	5.3
151.03902	6.7
155.08662	3.5
158.07335	5.1
159.08061	7.6
159.11700	15.7
161.05994	3.7
163.07573	6.0
163.11195	20.4
167.07065	100.0
168.07397	45.8
169.10104	5.5
170.07375	3.6
173.06009	8.8
173.09653	26.8
174.06403	10.3
177.05507	11.2
177.12793	4.4
181.04994	44.4
182.05304	21.0
183.06540	3.7
186.09193	5.2
187.11191	27.4
191.07021	16.3
191.10706	10.5
192.07431	6.7
205.08586	5.4
205.12247	32.1
209.08012	8.2
215.10643	29.6
217.08545	5.1
219.10307	4.9
233.08205	4.9
233.11761	36.9
234.08549	5.0
249.11293	12.6
251.12805	8.7
257.16620	8.0
269.13727	4.5
287.05554	13.1
306.34842	3.1
330.10907	4.3
387.14468	3.5
388.14725	12.7
401.16086	7.9
418.15817	53.4
418.26889	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.6
53.03953	5.7
55.01878	3.5
55.05506	4.2
57.03450	2.0
61.02931	2.2
65.03929	2.6
67.05493	4.7
68.99806	1.6
69.03082	1.3
69.03437	14.0
69.07063	2.5
71.04998	1.6
71.52703	1.0
72.08167	1.7
73.02924	3.6
79.05138	1.3
79.05500	26.7
81.03429	12.2
81.07082	7.8
85.02914	35.6
87.00843	15.5
89.51407	1.1
91.03951	1.1
91.05494	21.0
93.07053	99.1
95.04980	4.4
95.57455	1.0
97.02905	14.5
97.06535	1.0
99.04469	5.5
103.05463	2.1
105.01877	26.3
105.04535	2.7
105.07012	6.2
107.04976	3.2
107.08606	100.0
108.04467	2.8
108.05251	1.2
109.02900	12.3
109.06523	1.6
117.01776	0.9
117.07015	1.8
119.06038	1.6
119.08562	1.3
121.06463	1.2
123.04414	3.3
126.05501	1.3
127.03932	26.2
131.04939	1.5
131.08615	1.3
133.10181	1.8
135.11705	75.2
137.13167	1.1
145.04973	17.0
145.06247	1.4
145.06506	1.3
146.06842	1.5
147.35063	1.0
159.02881	6.1
167.07057	35.4
168.07401	19.3
173.06012	4.2
174.06323	3.3
181.04985	11.9
182.05344	7.9
191.07001	2.8
192.07410	3.0
205.08736	1.1
206.08916	1.4
213.03929	1.6
231.05014	8.8
233.08060	1.6
234.08504	1.9
236.10059	1.4
245.50502	1.1
249.06075	4.3
287.05444	2.8
330.10745	1.3
347.15277	1.3
365.15573	1.7
388.14417	5.2
400.14883	1.8
418.15817	17.8
418.21091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.6
55.01883	8.2
55.05506	3.5
57.03441	6.0
58.06585	1.2
60.99244	1.1
61.02926	4.4
65.03945	1.3
67.05503	5.5
67.73848	1.0
68.99781	2.4
69.03434	34.8
69.07062	1.3
70.06576	1.1
71.05015	6.0
71.07932	2.0
72.08155	2.0
73.02927	7.4
74.09689	1.2
78.87647	1.1
79.05495	10.9
81.03425	27.1
81.07063	4.5
83.01297	1.9
85.02914	100.0
87.00305	2.2
87.00838	34.7
87.04453	1.2
91.03931	2.2
91.05483	8.0
93.06483	1.8
93.07053	26.9
95.04964	3.3
95.08602	2.6
97.02901	28.6
99.04459	12.1
100.07663	1.4
100.11256	3.7
103.05474	1.3
105.01873	46.8
105.07031	6.2
106.04095	1.2
107.04963	3.4
107.08602	22.9
108.04508	3.4
108.05264	1.6
109.02885	27.0
109.06559	1.2
115.03890	1.7
115.05480	1.4
117.01879	4.3
117.07043	2.9
119.08601	2.7
121.10150	2.8
123.04475	3.0
124.05230	1.1
127.03928	63.3
129.01846	4.3
129.07077	1.5
131.04971	1.2
131.08559	1.6
133.06502	1.7
133.10158	2.0
135.04398	1.7
135.11705	19.8
145.04968	32.1
145.06450	3.0
145.10089	1.4
147.02844	3.1
147.08118	1.4
147.11732	1.8
153.12805	2.1
155.06059	1.3
159.02919	16.3
159.11739	1.9
161.05984	1.5
165.12747	1.3
167.07053	29.4
168.07378	16.9
173.06010	3.8
174.06393	2.3
177.12762	1.4
181.04990	10.6
182.05376	7.6
182.15364	1.6
184.13324	1.2
188.10875	1.3
189.04042	2.2
191.06978	1.6
192.07378	1.6
206.08989	1.5
213.03937	2.0
219.13779	1.7
230.06580	1.5
231.05019	20.7
234.08420	1.4
235.59569	1.1
236.09995	1.4
243.13850	2.6
248.07619	1.2
249.06085	4.4
253.09677	1.3
261.14877	3.5
287.05432	1.7
347.14789	2.2
388.14731	4.8
403.41544	1.2
418.15790	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	418.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41895	0.5
51.78333	0.4
56.96563	0.4
69.03424	0.6
70.06605	0.5
70.56207	1.5
72.08184	0.7
72.93743	0.4
73.06567	0.8
79.05482	0.8
85.02901	0.8
86.09715	0.7
91.05476	0.8
93.07068	1.6
103.05474	6.0
107.04963	2.7
120.08121	100.0
121.08468	0.5
127.05085	0.4
131.04953	2.7
149.06006	1.7
155.45361	0.5
163.03951	0.7
166.08662	51.7
167.09035	0.6
188.11536	0.5
208.89630	0.4
210.64265	0.4
253.16505	0.5
257.15051	0.6
297.01324	0.4
344.76462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.4
53.37183	1.1
55.01882	4.7
55.05516	2.0
57.03434	4.8
61.02921	4.0
65.03918	1.8
67.05513	1.2
68.99789	2.2
69.00615	1.0
69.03091	1.7
69.03437	24.7
71.01390	0.9
71.04983	3.6
71.53803	1.2
72.08170	1.4
73.02899	4.2
73.03255	1.0
79.05084	1.0
79.05505	13.8
81.03429	15.9
81.07055	1.8
85.02911	72.8
86.09708	2.2
87.00839	26.2
91.03982	1.3
91.05491	19.3
93.07051	100.0
95.04964	2.6
97.02895	25.3
99.04459	10.4
105.01877	45.0
105.04522	1.8
105.07040	5.4
106.04163	1.0
107.04980	2.1
107.08604	84.9
108.04480	1.7
109.02883	23.6
109.06521	2.2
115.03973	1.0
117.01805	1.4
117.07005	2.9
119.04884	1.0
119.06045	1.0
119.08583	3.1
123.04436	2.8
127.03928	58.7
129.01813	3.0
131.08595	1.0
133.06525	1.6
133.10121	2.3
135.11705	87.8
145.04980	31.9
145.06181	1.7
147.02888	2.8
151.03920	1.2
152.14365	4.1
156.16678	1.0
159.02884	14.3
159.11661	1.2
167.07043	15.1
168.07379	7.8
171.02917	1.2
173.05988	2.3
174.06360	2.7
181.04936	6.2
182.05296	3.7
189.03960	3.8
191.07018	1.8
192.07455	1.3
213.03983	2.4
231.05022	24.4
243.13890	1.3
248.07722	1.6
249.06079	7.9
330.10953	1.6
388.14624	2.1
418.15988	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	418.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.0
58.06592	2.0
60.04531	1.0
61.07795	0.5
66.92438	0.5
68.05025	0.8
68.99780	1.1
69.03418	1.2
69.07074	1.1
70.06593	1.3
70.96050	0.9
71.04929	0.5
71.35177	0.4
72.08141	0.8
73.02924	0.9
79.05509	3.5
81.07037	0.8
82.06583	4.7
84.08160	2.5
85.02890	1.8
86.09684	0.9
88.04021	4.2
91.05500	1.0
93.03400	0.8
93.07048	0.7
95.04955	0.8
100.07611	1.0
105.07037	1.2
107.04941	1.5
110.07118	0.8
119.04960	1.8
121.02886	3.3
121.06506	0.6
123.03584	0.9
123.04445	15.2
124.07618	0.8
125.02357	1.0
127.03874	0.9
128.07092	17.2
133.06500	2.0
135.04411	2.2
135.08028	0.7
137.06015	0.8
139.03931	0.7
145.06482	0.8
147.04411	5.5
151.03915	1.7
151.07536	0.7
153.05469	1.6
157.06526	0.7
160.07533	1.1
161.06004	23.5
163.03940	15.9
163.07565	5.7
165.05473	6.3
170.05804	0.7
172.88202	0.5
173.06017	0.9
175.03951	2.7
177.05467	2.8
178.08636	0.6
179.07019	2.6
185.06038	0.7
187.03961	1.1
188.09232	0.7
189.05472	8.6
191.07031	2.5
200.52202	0.5
201.05457	0.7
202.08662	3.1
203.07098	1.3
204.10179	1.1
207.06541	1.5
214.93053	0.5
217.05008	2.3
220.09718	37.4
232.09729	1.2
235.06003	1.9
241.04771	0.5
247.05972	1.1
266.10272	100.0
267.10419	1.5
278.10300	4.2
287.05588	6.0
332.13394	0.8
350.14600	2.0
354.13156	1.3
372.14517	0.7
400.13971	3.2
400.18350	0.6
418.14990	52.3
419.15237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.5
55.01863	8.7
57.03431	8.1
61.02932	9.5
62.19423	1.9
67.05486	3.3
68.99788	3.4
69.03085	2.8
69.03435	35.6
69.35030	5.2
69.35455	12.3
70.06604	22.2
71.05000	9.3
72.08169	4.8
73.02916	13.6
79.05494	3.0
81.03431	32.4
81.07063	13.8
83.04964	2.5
84.08124	3.0
85.02916	87.4
85.06561	2.2
86.09723	3.4
87.00842	43.7
87.04494	4.0
91.05489	3.6
93.07048	6.5
95.08604	4.8
97.02903	100.0
99.04476	19.5
105.01870	46.2
105.07066	2.3
107.08588	6.4
109.02892	30.5
110.07165	3.7
116.07088	24.1
116.12733	1.7
117.01875	4.4
119.08575	2.2
121.02870	28.0
127.03930	90.7
129.01849	4.5
135.11700	6.0
137.06007	2.8
137.13269	2.2
145.04976	74.1
147.02853	3.4
147.11806	2.4
148.38669	1.9
153.05473	35.4
159.02931	23.8
159.55957	1.9
163.03918	2.0
167.07065	8.4
168.07422	4.9
213.03914	2.4
231.05011	17.7
239.12286	2.0
249.05997	4.8
364.24857	3.1
382.25839	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70915	0.4
50.76603	0.4
53.03920	0.9
55.01863	0.4
55.05503	1.5
57.07071	0.7
65.03958	2.2
67.05504	2.5
68.99797	0.8
69.03421	2.1
69.07050	1.6
71.04990	4.0
71.53272	0.6
71.60893	0.4
73.06544	0.5
78.04734	2.8
79.05499	4.4
81.03406	1.8
81.07071	5.5
82.04192	1.3
83.04980	1.3
83.08590	0.9
84.08142	2.9
85.02511	0.4
85.02915	5.3
87.00813	1.0
91.05474	4.4
93.03407	0.9
93.07037	3.4
95.04946	1.8
95.08619	3.6
97.02892	2.4
97.06519	1.4
99.08097	1.4
101.44331	0.5
103.05470	5.4
105.01872	1.1
105.03429	0.5
105.04555	0.5
105.07036	6.9
106.04163	2.4
107.04964	4.6
107.08609	3.6
108.02107	0.9
109.02873	1.1
109.06539	1.2
109.10167	2.6
110.03647	1.3
111.08114	0.7
115.05488	3.7
115.79243	0.5
117.07033	6.1
118.04157	1.1
119.04960	0.7
119.08569	1.8
121.02871	0.5
121.06503	0.8
121.10201	2.3
123.04448	7.3
123.08086	0.4
123.11694	1.4
124.05254	2.3
125.05970	1.0
125.09647	3.7
127.03916	1.6
127.05434	0.9
127.07522	0.6
127.11192	0.8
130.04126	0.9
131.04948	4.9
131.08598	1.5
133.02867	0.9
133.06476	1.6
133.10147	10.9
134.03670	0.8
135.04384	1.0
135.08044	0.6
135.11731	0.6
137.06017	0.7
142.02634	1.0
143.10681	4.1
144.05626	0.6
145.04840	0.5
145.05368	0.8
145.06493	8.4
145.10143	1.5
147.04434	0.8
147.08011	0.9
147.11688	1.9
148.05209	3.2
149.13287	2.5
151.03917	2.2
151.11208	2.2
152.04695	2.3
153.05435	0.9
155.06001	2.7
159.07980	0.4
159.11681	1.4
161.05994	1.1
161.13316	0.5
163.07558	4.9
167.07051	100.0
167.14305	6.0
167.15639	0.8
168.07387	1.2
169.12274	1.1
171.06508	1.5
173.06000	16.4
173.13260	0.5
174.06311	0.5
175.07568	0.9
176.04642	0.5
177.05455	0.9
181.04971	42.4
182.05283	0.5
187.07535	0.8
191.07040	17.0
193.08720	0.5
195.06483	1.1
201.05524	1.0
201.16368	2.0
203.07068	0.9
205.08571	3.4
207.06564	0.6
207.10231	0.8
209.08060	0.7
217.08723	0.7
219.10216	0.7
219.17485	6.0
221.08177	0.7
233.08090	7.1
235.09641	3.0
237.18349	1.1
255.06512	2.9
263.09140	1.2
286.16614	0.5
357.13177	0.6
367.11838	0.5
381.13715	0.6
381.31171	0.6
385.12805	1.0
387.14398	13.1
399.14243	0.8
399.32172	0.6
417.15488	35.5
418.16022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.4
55.05514	8.2
57.03442	6.8
57.07084	5.4
57.41594	1.1
67.05511	54.1
69.07072	11.6
71.04990	1.0
71.08628	2.8
71.52911	1.6
71.61710	0.9
72.08164	1.5
79.05502	15.6
80.57372	0.9
81.03427	1.4
81.07066	63.6
83.08630	9.2
85.06539	1.6
91.05473	11.1
93.07057	17.7
95.04978	1.2
95.08617	58.1
96.84286	0.9
97.06521	4.9
97.10159	5.1
98.98476	79.6
99.08095	3.1
105.07034	8.6
107.08604	8.8
109.09466	1.9
109.10168	25.9
111.08096	3.1
117.86126	1.0
119.08604	8.5
121.10169	12.4
123.08101	2.1
123.11713	13.6
125.09600	1.2
131.08507	1.3
133.10144	9.1
135.11723	5.9
137.09598	1.1
137.13287	7.4
140.01038	1.4
141.12787	1.3
147.11700	7.3
149.13333	7.1
151.11205	1.9
151.14810	6.9
155.01059	100.0
161.13263	4.8
163.14806	5.4
165.16399	4.7
173.02113	1.3
175.14839	3.5
177.16386	1.8
179.17979	2.4
189.16418	3.5
203.17903	1.3
236.73853	1.2
245.22679	22.5
263.23740	47.7
271.14648	1.0
374.08890	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
54.49443	0.6
55.01869	1.1
55.05507	1.9
57.03437	1.9
65.03934	2.0
67.05501	2.9
69.03429	0.7
69.07086	1.3
69.28423	5.1
69.65773	0.5
70.06586	1.3
76.51520	0.6
79.05514	4.8
81.07061	9.0
81.69930	0.6
82.06586	0.8
85.02918	0.7
91.05470	1.4
93.07034	1.6
94.06543	0.7
95.04955	1.0
95.08629	0.7
96.08144	2.0
97.06558	1.2
100.11263	0.7
103.05487	1.2
105.07037	1.4
106.06518	1.2
107.04953	2.7
107.08658	1.0
108.08134	1.6
109.10187	1.4
115.05445	1.9
117.07038	2.7
120.08120	1.1
121.02900	0.8
123.04443	2.7
124.05251	0.9
124.07619	5.0
125.06006	0.8
131.04950	1.3
134.03618	0.7
134.09666	1.1
136.07590	1.3
138.09138	0.8
145.06499	2.8
148.03957	1.0
148.05154	0.7
150.05449	1.3
150.09149	0.9
152.03444	2.4
152.04613	0.7
152.07048	2.0
153.05504	0.7
155.06047	1.0
162.09128	4.1
163.07561	0.8
164.10738	5.3
165.05545	0.7
166.05035	8.6
167.07062	36.2
168.06557	1.0
171.09224	0.7
173.05971	4.5
175.05058	0.8
176.03416	2.1
176.14391	1.4
178.12288	2.0
178.15877	1.5
180.13802	3.7
181.04980	16.2
183.09209	0.8
184.09929	1.6
188.10684	0.8
191.07091	4.9
192.02846	1.2
194.04514	1.0
195.74745	0.7
198.07825	3.4
199.08633	4.1
199.12334	0.9
200.10803	3.6
203.77390	0.6
204.13872	15.2
206.15419	14.8
208.16980	2.9
209.10794	1.0
210.09271	0.7
211.08681	1.5
211.12331	1.2
212.09454	6.8
213.10262	2.9
214.08696	1.5
214.11021	1.5
219.10190	0.7
222.14963	3.9
226.07471	2.0
226.11021	1.4
227.08182	2.0
227.11804	9.5
228.10298	4.8
229.13420	1.3
233.08191	2.4
235.09682	1.1
237.10204	2.9
239.08189	1.4
239.11891	0.8
240.08971	4.1
241.09724	4.9
242.10568	1.9
243.07697	1.2
244.08408	2.0
253.09737	2.1
255.07820	1.3
255.11281	11.4
257.09238	7.1
257.12814	3.0
265.09625	2.3
269.09253	4.8
270.09979	4.4
272.08072	0.9
272.11569	0.9
273.12421	3.4
283.10794	100.0
284.11050	2.0
285.09100	0.9
285.12344	1.9
286.09537	0.9
287.10318	14.6
288.11069	3.0
301.11865	65.9
302.12332	1.0
319.12915	63.2
329.11337	27.4
339.17072	2.1
353.18658	1.7
357.18106	7.3
357.22272	1.1
363.16681	0.9
370.15176	1.2
371.19684	1.2
381.13342	0.7
381.18063	1.3
387.14456	4.0
399.19186	47.8
417.15369	11.9
417.20264	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	417.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15898	0.9
55.01869	1.3
55.05509	2.1
57.03441	1.0
58.89838	0.8
65.03944	1.3
67.05508	1.3
69.07085	0.8
70.06584	1.5
70.87693	1.6
73.26904	0.9
78.04723	0.9
79.05491	4.7
81.07072	8.9
81.55357	0.8
82.06554	0.8
91.05468	1.6
92.05006	0.9
93.07049	0.8
95.04954	1.0
95.08597	1.7
96.08125	2.0
96.58726	0.9
97.06502	0.8
106.06539	0.7
107.04963	2.1
107.08614	1.6
108.08130	1.5
109.06464	1.1
109.10138	1.5
110.03635	0.8
115.05483	1.0
117.06986	1.2
120.08088	0.8
123.04389	1.2
124.05229	0.9
124.07616	6.4
130.94846	0.9
134.09669	1.5
136.07587	0.9
138.09149	1.9
145.06442	2.2
152.03424	2.1
152.07048	2.5
155.06079	0.8
159.11694	0.9
162.09174	4.3
164.00047	0.8
164.10710	3.4
166.05029	8.7
167.07048	29.0
168.06551	1.1
173.05984	4.3
176.03471	1.9
176.14319	2.4
178.12308	1.4
180.13832	2.6
181.04967	13.6
191.07033	2.3
192.02933	2.2
194.04507	1.7
198.07878	3.2
199.08560	3.9
200.10770	1.9
204.13850	11.6
205.08589	1.0
206.15422	16.9
208.16945	2.1
209.10736	1.9
211.08781	1.4
211.12268	1.2
212.09439	8.1
213.10225	2.4
214.08720	1.0
214.10814	1.2
222.14928	3.1
225.10149	0.9
226.07314	1.5
226.10939	1.4
227.08275	2.3
227.11810	9.0
228.10301	3.7
233.08031	1.8
235.09683	1.4
237.10286	2.4
239.08138	1.9
239.11790	1.1
240.08972	3.4
241.09755	4.1
242.10388	1.1
243.07733	1.4
244.08496	3.2
253.09601	1.3
255.11331	11.3
257.09219	6.1
257.12677	3.8
265.09723	1.4
269.09198	3.3
270.10080	2.7
272.11646	1.7
273.12421	2.5
283.10791	100.0
284.11172	1.0
285.08786	1.8
285.12213	1.8
286.09705	1.3
287.10275	14.5
288.10950	3.5
301.11847	61.9
302.12289	0.9
319.12900	61.6
320.13217	1.1
329.11334	27.2
339.17059	1.4
353.18619	1.3
357.18002	8.4
371.19577	1.4
381.18103	1.5
387.14557	3.7
399.10840	1.7
399.19174	45.0
400.19339	1.0
417.15311	9.7
417.20209	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	417.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14271	1.6
63.94819	2.0
69.85847	8.4
70.69512	1.8
81.07049	2.6
91.05515	3.2
93.07059	1.7
98.21499	2.0
105.07073	2.0
107.04962	2.1
125.17523	1.6
125.25632	1.7
136.05211	4.5
145.06537	1.9
148.05121	2.3
151.06439	2.9
151.07556	31.7
157.06516	1.8
159.08061	3.2
166.06291	7.4
167.07025	2.3
174.06816	4.6
177.09131	2.0
181.08603	21.9
187.07512	3.9
188.08354	4.9
189.09163	8.7
191.06984	2.1
201.05411	3.5
201.09114	3.9
202.09833	5.7
203.10674	3.9
211.07532	3.2
218.09494	2.3
219.10158	5.5
222.40733	1.8
227.07156	1.8
231.10143	9.5
233.11760	2.2
239.07016	5.9
240.07915	2.8
241.08609	4.6
242.09467	2.0
253.08635	2.6
254.09393	21.4
255.06429	4.8
255.10149	4.3
261.11221	6.8
263.10690	2.3
270.08899	16.1
271.09406	1.9
275.10803	1.9
277.08633	3.0
282.08896	2.8
283.09732	5.9
284.10394	2.8
285.11237	19.3
291.10291	3.0
292.11044	3.1
297.11215	3.5
298.08755	2.1
298.11987	6.8
306.12921	2.0
307.13217	4.2
311.09344	2.7
313.10699	37.7
314.11383	3.5
319.13293	5.6
325.10730	2.8
328.13083	100.0
329.13727	7.5
335.12762	7.0
341.13937	11.9
349.14407	3.9
350.15067	12.5
351.12262	4.3
354.14554	2.3
369.16855	3.4
381.17105	18.6
399.17908	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	417.191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76712	0.8
60.54643	0.7
69.80719	4.5
78.04709	0.9
78.90806	0.8
91.05489	1.9
95.91972	0.9
107.04946	1.9
108.05766	1.5
108.85918	0.8
114.63023	0.8
123.04420	0.9
135.04483	1.0
136.05222	4.5
139.07559	1.1
145.06570	1.1
146.07201	1.0
148.05222	1.9
151.03947	0.8
151.07559	32.1
157.06516	1.6
158.07269	2.0
159.08052	1.5
165.05453	1.2
165.09097	1.3
166.06264	8.7
167.07127	1.4
172.08891	0.9
173.05884	1.5
174.06792	3.0
175.07590	1.0
176.08290	1.5
177.09152	1.2
179.07065	1.6
181.08606	18.5
187.07613	2.3
188.08342	4.9
189.05385	1.2
189.09146	8.3
191.06926	1.9
193.08505	1.0
201.05499	1.9
201.09087	4.9
202.09940	5.9
203.07047	1.3
203.10712	4.0
204.07809	3.3
207.10132	1.1
209.08051	0.9
211.07634	1.5
217.08664	0.9
218.09488	2.2
219.10217	7.1
225.09116	2.2
227.06998	2.3
230.72952	1.0
231.06563	1.2
231.10168	10.5
233.09700	1.1
233.11757	2.3
239.07089	2.8
239.10698	1.1
240.07782	0.9
241.08600	5.3
242.09422	2.8
249.09108	1.4
252.07990	1.0
253.08632	2.3
254.09421	18.5
255.06573	3.2
255.10168	3.0
261.09192	1.3
261.11359	6.8
263.10855	1.1
269.08173	2.0
270.08893	16.0
271.09622	1.4
275.10687	2.9
276.11426	1.8
277.08698	2.2
282.08923	1.7
283.09625	5.2
284.10355	3.8
285.08145	1.7
285.11234	21.0
291.10104	2.9
292.10986	3.3
293.08322	1.3
295.09805	1.9
297.11264	2.3
298.08450	2.4
298.12057	8.5
299.09152	3.0
304.11230	1.3
305.11893	1.7
306.12576	1.7
307.09976	1.3
307.13208	4.5
308.10550	1.7
311.09290	4.0
313.10718	40.1
314.11395	2.7
319.09744	1.4
319.13315	5.0
320.10486	2.4
323.12918	2.4
325.10529	2.0
326.11798	1.3
328.13077	100.0
329.13812	9.3
335.12817	9.2
337.14554	1.3
338.15170	3.0
339.36136	1.0
341.13858	11.9
349.14401	2.8
350.15158	14.2
351.12225	2.8
354.14639	3.2
366.14758	2.1
369.16751	1.7
371.18295	1.3
381.17007	20.7
381.21588	1.7
387.98407	1.0
399.18076	18.2
399.22833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	14.7
55.01867	14.3
55.05521	25.7
57.03430	8.8
58.06591	5.2
61.02948	5.2
62.58910	3.7
65.03951	4.5
67.05508	36.6
68.99796	11.2
69.03441	47.3
69.07063	10.8
69.48269	6.5
69.48674	21.3
70.06619	6.3
71.04996	21.9
72.08155	3.9
72.40294	3.2
73.02909	9.7
75.26759	3.6
79.05497	21.1
81.03426	49.5
81.07067	55.0
83.04980	9.7
83.08579	5.2
84.08144	6.8
85.02919	80.5
86.09701	4.6
87.00822	33.8
91.05482	27.5
93.07059	41.0
95.04984	86.0
95.08066	6.9
95.08623	100.0
97.02894	33.8
97.06522	12.1
97.10181	19.6
99.04462	27.1
103.03962	10.4
103.05479	4.5
105.01872	18.8
105.07039	36.2
107.04992	19.0
107.08611	38.6
108.28210	3.6
109.02903	41.8
109.06534	39.4
109.10163	41.2
111.04453	13.0
111.08074	9.0
113.06015	12.1
115.74516	4.0
117.07062	11.7
119.08578	20.3
121.06510	15.2
121.10175	19.8
123.04444	23.7
123.08046	5.4
123.11719	67.7
125.06039	6.6
125.09613	6.9
127.03924	50.3
129.01862	4.7
129.07034	8.9
130.69133	4.6
131.04985	4.3
131.08569	13.4
133.06512	8.0
133.10143	21.1
135.08076	6.8
135.11707	10.0
137.05989	25.8
139.07547	6.3
143.08569	11.3
145.04906	6.4
145.06511	13.0
145.10144	16.5
147.02910	6.9
147.08029	8.2
147.11694	11.3
149.09633	13.7
149.13235	5.2
151.03915	8.1
151.07623	5.8
151.11203	77.2
157.10074	6.3
159.02956	7.5
159.08038	6.5
159.11678	7.1
161.06018	7.9
161.09665	10.3
163.07500	6.6
163.11162	18.8
165.09071	5.2
165.12814	6.2
167.05673	6.1
167.07063	78.0
169.12271	78.4
171.08046	5.1
173.05994	6.9
175.07567	5.4
175.11206	8.4
177.09155	5.4
177.12756	6.5
179.10686	4.1
181.04996	22.4
181.12274	6.0
185.09645	6.9
185.13400	4.6
187.11124	4.4
189.03900	6.5
189.12717	5.0
191.07062	4.3
191.10730	4.8
193.12245	30.8
205.08728	5.3
205.12193	6.9
207.13750	4.9
211.13412	7.2
213.03874	4.9
213.12717	8.9
217.12253	7.5
221.11810	7.1
231.04953	9.7
231.13834	10.9
233.08086	7.0
235.09592	4.2
235.13216	18.7
237.18427	4.4
241.12248	8.2
259.13354	39.4
277.14468	23.8
295.15375	6.9
324.47290	3.9
331.66187	4.6
335.14832	5.1
363.14340	9.5
381.15460	10.4
387.14294	10.4
417.15674	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.8
55.01868	3.1
55.05507	3.5
57.03439	2.6
57.07080	1.1
58.06601	1.3
59.04986	1.5
61.02935	2.4
67.05499	4.2
68.99800	1.7
69.03433	17.9
69.07079	6.0
69.25624	8.0
70.06627	1.2
71.04995	6.5
72.08176	1.3
73.02918	2.4
79.05493	3.0
81.02977	1.9
81.03421	16.6
81.07060	13.2
83.04984	3.9
85.02907	25.8
85.06527	1.2
87.00822	9.4
91.05483	4.7
93.07045	6.3
94.04176	1.1
95.04980	4.5
95.08622	2.8
97.02900	8.7
97.06542	1.3
99.04465	5.6
101.02277	0.9
103.05440	1.2
105.01859	6.4
105.07033	6.4
107.04974	1.5
107.08610	12.5
109.02884	15.0
109.06521	100.0
109.10154	11.8
111.08107	1.9
117.01830	1.9
117.07076	1.4
119.06035	1.7
119.08512	1.4
121.06503	1.1
121.10159	5.0
123.08101	1.2
123.11716	13.9
125.09648	3.2
127.03931	32.4
127.11181	1.6
131.08548	1.8
133.10143	7.3
135.04289	0.9
135.11662	1.9
145.04985	5.3
145.06516	1.1
145.10126	1.0
147.11714	1.5
151.11188	33.9
159.02892	2.1
159.11705	2.2
163.11200	1.4
167.07056	15.5
169.12248	73.7
173.06029	1.9
177.53696	0.9
181.05000	3.6
201.16396	1.3
205.08517	1.2
213.03976	2.5
218.18892	1.1
219.17448	3.6
231.04945	7.1
237.18521	7.3
387.14172	1.6
417.15369	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	417.1549
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03942	0.7
55.01886	0.6
55.05522	0.4
65.03938	1.3
67.05494	1.0
69.03421	0.8
69.07098	0.3
69.64062	1.7
76.56400	0.3
78.04707	3.0
79.05498	2.0
81.03410	0.9
81.07078	1.3
82.04209	0.6
85.02917	1.3
85.06541	0.4
91.05507	1.6
93.03391	0.6
93.07070	0.4
94.04160	0.3
95.04966	1.3
95.08593	0.5
97.02879	0.4
97.06506	0.8
98.21549	0.3
103.05478	2.2
105.07029	0.7
106.04160	1.2
107.04973	2.5
109.02847	0.4
109.10174	0.6
110.03653	0.9
111.04449	0.3
111.41425	0.3
115.05477	2.9
117.06236	0.4
117.07032	5.5
123.04442	6.8
123.11707	1.0
124.05238	2.5
125.05999	0.7
127.03972	0.5
127.05440	0.9
127.11176	0.3
131.04930	1.4
131.08694	0.3
133.06535	0.5
134.03664	0.6
135.04478	0.5
137.05998	0.6
138.03128	0.6
142.02582	0.7
145.06503	8.4
147.04369	0.3
147.08075	0.6
148.05196	0.8
151.03900	1.1
151.11183	0.3
152.04706	2.2
153.05411	0.6
155.04919	0.4
155.06050	4.0
163.07527	1.3
167.07057	100.0
168.07416	0.8
169.12334	0.3
171.06593	0.6
173.06009	15.6
175.07533	0.5
181.04980	25.0
190.06146	0.4
191.07057	4.0
195.06506	0.4
201.05522	0.8
205.08609	3.5
221.08122	0.4
233.08116	7.3
233.11752	0.4
235.09665	2.9
249.05310	0.3
263.09177	0.4
305.89648	0.3
345.92380	0.3
356.12418	0.3
381.13562	0.5
387.14438	14.3
399.14676	0.7
417.15491	37.1
418.15814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1186
Annotation	Bayin
Peak:m/z	Relative Intensity
53.03930	0.9
57.03423	0.9
65.03959	0.6
68.99770	0.6
69.03431	1.0
70.36627	0.8
79.05495	0.8
81.03415	1.2
81.07066	0.9
85.02902	2.7
91.05453	1.2
93.07071	0.7
97.02893	1.1
103.05483	1.0
105.03404	4.0
105.07025	1.2
107.04965	1.0
109.02921	1.0
109.95856	0.6
121.02840	0.9
123.00791	0.7
127.03897	1.4
129.03387	1.8
141.01851	0.7
145.06494	0.7
147.04419	2.0
149.02362	2.2
161.23656	0.7
162.31516	0.6
163.03886	1.3
165.01849	10.5
167.03371	2.8
167.07095	7.0
173.05954	1.3
177.01820	1.3
181.04915	3.6
183.02943	2.3
187.03848	1.3
189.01851	0.8
189.09187	0.7
191.03407	0.8
191.07072	1.3
213.05453	0.9
215.89699	0.7
223.07436	1.1
251.07042	11.1
254.05711	3.2
255.06482	5.1
263.06998	1.4
265.08636	7.1
267.06540	100.0
268.07324	9.1
277.08667	0.9
279.06555	10.3
279.10098	1.8
281.04501	1.0
281.08099	2.3
283.06067	1.7
289.08603	2.3
291.06531	1.9
292.07352	1.8
293.04596	2.1
293.08066	20.3
295.06018	1.7
297.07602	73.7
298.07715	1.0
305.07993	1.7
307.09692	12.4
309.07581	1.0
313.07010	1.2
317.08203	3.9
321.07614	35.0
333.07614	10.8
335.09106	2.2
337.07126	1.1
345.07614	12.4
351.08670	21.0
355.08087	0.7
363.08667	19.9
381.04901	1.1
381.09729	18.7
387.14471	1.0
399.10757	13.3
417.11313	6.9
417.16553	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1184
Annotation	Molludistin
Peak:m/z	Relative Intensity
61.21614	0.6
68.99765	1.8
69.03438	15.6
69.03783	0.7
70.05786	3.0
70.06161	1.4
79.05476	1.0
81.03392	1.0
85.02872	1.6
86.09679	0.7
86.97979	0.7
91.05453	0.8
93.07001	0.9
102.61474	0.6
105.07012	0.9
107.04951	1.5
107.08553	1.0
109.02837	1.3
111.04413	1.3
114.26108	0.7
117.06982	1.0
119.04906	3.2
121.02886	14.1
121.03795	0.8
121.25852	0.7
123.04398	1.4
124.43457	0.7
131.04884	0.7
133.02724	0.8
135.04361	1.4
145.02846	3.8
145.06523	1.2
149.02298	2.7
152.04758	0.8
159.04439	0.7
163.03925	6.4
165.00586	0.9
165.01862	12.7
165.08717	0.6
167.03432	4.0
167.05711	1.1
167.07065	14.2
169.12202	1.1
171.04315	0.9
173.05994	3.5
177.01807	2.1
181.04988	6.8
183.02876	2.1
187.03966	1.4
191.06996	1.4
195.02919	1.8
201.05486	1.2
203.03394	1.7
217.04901	2.3
227.03365	1.4
229.04927	2.0
231.02817	0.8
233.07964	1.2
239.07066	1.8
242.05756	0.8
245.04474	1.1
256.07236	0.9
267.06534	9.9
270.05200	5.1
271.06052	6.9
273.03894	1.5
279.06549	1.2
281.08109	9.0
283.06033	59.5
284.06778	13.5
285.07468	1.3
291.06686	0.8
292.07309	1.1
293.07971	1.5
294.05164	1.5
295.06030	15.2
297.03937	2.5
297.07599	8.3
307.06296	1.7
307.09625	2.9
308.06808	0.9
309.04169	1.1
309.07556	23.8
311.05692	1.2
311.09003	4.3
313.07074	95.6
314.07678	1.2
317.08112	1.0
319.09708	1.9
320.06812	0.9
321.07608	9.8
323.05463	2.1
325.10605	0.8
335.09164	18.9
337.07077	43.4
338.07578	0.8
339.08746	2.9
345.07422	3.9
353.10321	0.7
355.07947	1.2
363.08636	50.7
364.08893	1.3
381.09723	100.0
382.09891	1.8
387.14404	2.6
398.22934	0.8
399.10754	14.2
417.11346	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	417.1184
Annotation	Chrysin 8-C-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.69535	0.9
53.03941	1.7
53.43179	0.8
55.05484	1.3
58.96078	0.8
61.02903	1.1
66.93866	0.9
67.05495	1.1
68.99786	1.7
69.03430	1.8
69.07062	1.0
70.06585	2.1
71.88115	0.8
72.08138	1.1
79.01844	4.0
79.05479	1.5
81.03407	2.9
81.07039	2.2
85.02901	4.4
86.09680	3.4
91.05503	2.1
93.07077	1.5
95.04968	1.8
95.08614	1.2
97.02892	1.6
100.83754	1.0
103.05444	2.0
105.03403	14.4
105.07049	1.2
106.03999	0.8
107.04940	1.7
107.08591	0.9
109.02853	1.8
109.10155	1.3
115.05500	1.4
117.07041	1.1
121.10177	1.3
123.04408	2.2
124.05211	1.2
127.03931	1.0
129.03339	1.5
131.04910	1.7
143.03450	0.9
145.06528	2.2
147.04381	1.4
147.08102	1.3
149.05919	0.9
151.07547	1.0
163.07434	0.8
165.01817	2.7
167.07051	22.4
170.05956	0.9
171.02866	1.1
173.06004	2.8
173.09576	1.7
174.09877	1.3
175.11124	1.7
181.05016	9.8
187.67683	1.0
189.05592	1.1
191.03419	1.3
191.07014	2.2
195.06532	1.5
197.05942	3.3
202.13231	1.2
205.08650	1.3
217.04950	3.8
219.13824	2.4
220.14133	2.8
227.07022	3.3
233.08012	1.7
235.09598	1.2
238.15062	1.1
239.07042	6.3
240.07831	9.0
241.88016	0.9
243.02841	3.3
243.06548	1.3
254.05708	0.9
255.06465	3.6
261.04095	2.1
263.07172	1.1
267.06552	83.2
268.07321	39.9
269.07922	3.4
279.06607	15.0
280.07202	0.9
281.05280	1.4
281.08148	18.5
283.05975	1.5
285.06589	1.5
291.06531	2.4
292.07309	3.3
293.08099	6.4
295.05960	2.7
297.07593	100.0
298.07877	1.6
305.08203	1.1
307.06018	3.0
307.09641	23.2
309.07675	5.3
311.08804	1.9
321.07562	24.7
327.08698	4.7
335.09189	5.8
339.08160	2.6
351.08713	19.4
357.15875	1.0
363.08655	12.3
381.09741	32.8
387.14362	4.0
399.10773	45.1
417.11682	89.0
418.11832	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.1
53.03938	2.3
55.01861	0.9
55.05519	8.5
57.07074	1.2
58.99577	1.9
65.03931	0.9
67.05511	21.1
69.03418	2.0
69.06732	0.9
69.07073	11.3
70.02206	2.0
71.04992	1.6
72.08147	1.1
76.02239	1.4
77.03911	0.8
79.05500	23.9
81.03417	1.1
81.07063	23.7
83.04975	1.3
83.08620	4.9
85.02902	4.1
85.06536	2.1
91.05490	13.3
93.07054	41.8
95.04977	1.5
95.08613	20.1
96.08929	0.8
97.01102	0.9
97.02886	1.1
97.06532	1.7
97.10180	2.2
103.05481	0.9
105.01904	1.1
105.07041	15.5
107.04950	1.3
107.08603	25.8
109.02872	0.9
109.06526	3.4
109.10159	8.3
111.02666	1.6
111.08108	1.0
113.04235	1.7
117.07040	5.9
119.08598	11.3
121.06505	1.8
121.10149	14.3
122.02728	6.1
122.10526	0.8
123.08057	1.7
123.11718	2.1
125.04224	1.1
125.09715	0.9
127.03905	2.8
129.07005	2.9
131.08549	5.4
133.10133	7.9
135.04507	0.9
135.08047	1.5
135.10704	1.2
135.11705	19.7
137.09666	0.7
139.05818	0.9
143.08577	2.4
145.10141	4.7
147.11681	9.6
149.09616	1.5
149.13283	11.7
151.11214	1.9
153.12840	0.9
157.10141	1.4
159.11755	4.5
159.16165	0.8
161.13252	6.5
162.13684	0.8
163.07402	0.7
163.11195	1.2
163.14864	3.8
165.05473	0.8
165.12764	0.8
167.07040	9.6
167.10724	0.7
171.11708	3.2
173.06003	2.0
173.13260	3.7
175.14857	2.2
181.04913	4.5
185.13289	2.1
187.14742	1.2
189.12772	1.5
191.07048	1.0
199.14919	1.4
203.14421	1.2
207.13873	2.0
213.16408	2.1
221.15462	2.3
224.16489	1.1
231.17400	1.2
233.08072	1.0
235.16985	2.1
239.10791	0.7
241.19540	3.0
241.21857	0.7
249.18619	0.8
251.20044	0.9
254.10284	0.9
259.13397	1.1
259.20612	8.9
275.20114	2.9
276.27563	0.7
277.21649	100.0
278.22046	1.9
291.17749	2.8
295.22586	5.1
309.18799	8.6
310.14645	0.7
328.15848	1.0
341.39325	0.8
369.58121	0.7
370.23892	1.2
371.53009	0.7
380.22742	1.6
381.20929	4.4
387.13892	1.0
389.64063	0.7
398.18939	1.0
398.23694	13.0
399.21826	4.1
416.24802	11.0
417.15591	4.7
430.52451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
53.96232	0.8
55.01872	1.5
55.05518	9.6
57.07068	2.0
58.99580	1.1
64.34702	0.8
65.03936	1.2
67.05185	1.2
67.05511	18.7
69.06730	1.0
69.07073	13.4
70.78976	1.8
71.04987	1.5
74.00642	0.8
76.02212	2.1
79.05500	24.1
81.07063	25.5
83.04963	1.8
83.08653	4.1
85.06553	0.9
86.99014	0.8
88.03981	1.4
91.04969	1.4
91.05484	13.3
93.07047	37.3
95.04953	1.6
95.08612	20.7
97.06534	2.4
97.10187	2.4
99.08078	1.3
105.07036	12.1
107.04964	1.1
107.08601	26.6
109.06503	1.9
109.10154	8.1
111.02682	0.9
113.04214	0.8
117.07042	4.3
119.08588	10.6
121.06551	1.5
121.10150	15.6
122.02765	3.7
123.08068	2.6
123.11729	2.2
125.09643	1.5
129.07028	1.9
131.08585	5.6
133.10139	6.8
135.08072	1.4
135.11710	20.5
137.04210	1.1
137.09657	1.3
139.11163	1.1
143.08574	3.0
145.10127	4.7
147.11676	8.6
149.09648	1.2
149.13263	12.9
151.11197	1.1
157.10156	1.5
159.11684	3.1
161.09685	0.8
161.13257	5.4
163.11195	1.3
163.14842	2.4
167.07086	3.6
171.11708	3.3
173.13254	3.8
174.15688	0.8
175.14835	2.2
177.12827	0.9
181.04871	1.3
181.12204	1.1
185.13243	3.5
187.14777	1.1
189.12752	1.0
193.12183	0.8
195.13799	1.3
199.14781	1.7
207.13786	3.2
209.15372	1.7
213.16455	1.3
221.15395	2.6
223.11632	1.0
223.16968	3.9
231.17497	1.2
235.17073	1.9
241.19566	5.4
259.20624	8.6
270.85086	0.8
275.20041	3.0
277.21640	100.0
278.22018	1.3
291.17783	3.0
293.21179	1.1
295.22668	4.2
307.12839	0.8
309.18854	8.0
327.19913	3.2
378.16287	0.8
380.22528	3.1
381.20911	4.2
395.06845	0.8
398.23575	10.4
399.22076	11.5
416.24734	10.3
417.15643	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03444	1.1
61.02919	1.9
67.05509	1.3
69.03440	3.3
73.02891	0.6
81.03413	1.0
85.02438	1.2
85.02916	16.0
85.06570	0.7
85.51706	0.5
90.26959	0.6
91.05501	3.2
93.07026	1.8
95.04955	0.7
95.91055	0.6
97.02883	4.2
99.04434	1.2
99.48862	0.6
105.07027	1.5
109.02859	1.2
119.08582	2.1
121.06522	9.9
127.03905	1.8
129.07019	1.0
131.04933	4.3
131.08578	6.6
133.06454	1.3
136.99805	0.7
137.09604	0.9
143.08517	0.7
145.04967	1.6
145.06462	2.3
145.10143	3.3
147.08067	25.5
150.56729	0.7
155.08560	4.9
158.07285	2.4
159.08076	9.2
160.08826	1.4
165.09137	10.3
169.29196	0.6
171.08160	0.7
172.08812	0.9
173.09637	29.9
173.13245	1.4
175.11203	53.6
186.10341	0.7
191.10686	10.0
193.17490	0.6
201.12782	23.2
217.24774	0.8
219.13826	100.0
220.14183	1.4
237.12585	1.1
237.14893	19.3
255.16016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01868	3.1
55.05517	11.6
56.60797	1.1
60.04545	1.2
61.89636	0.9
63.43877	1.2
65.03954	2.3
67.05509	8.8
69.03431	4.0
69.15366	1.5
69.15771	10.0
70.06594	6.9
71.05020	1.2
72.08165	49.4
79.05499	37.9
81.03434	3.1
81.07076	5.0
83.04995	1.3
84.08158	3.0
85.02925	5.0
86.09722	4.8
88.07635	1.5
91.05488	58.2
93.07054	22.2
95.04963	2.8
97.02890	1.6
98.06073	7.8
105.07046	19.5
107.04974	2.9
107.08581	1.5
109.10066	1.5
111.25912	1.2
115.05500	1.3
116.07108	2.8
117.07040	10.4
119.08595	53.1
121.10162	16.7
122.03594	1.1
122.09641	7.6
126.09157	2.1
128.06230	1.4
129.07021	5.2
131.08586	1.7
132.05716	1.7
133.06563	1.5
133.10135	1.4
137.09622	1.9
145.06595	2.3
147.08067	30.9
149.09601	1.3
152.10730	1.5
167.07068	11.4
173.05927	1.3
181.05002	2.0
190.15956	3.1
218.15417	100.0
219.15652	1.4
236.16472	99.5
237.67285	1.2
254.10265	2.1
254.17519	1.5
330.81058	1.0
398.16348	1.3
417.15732	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	416.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48578	25.0
71.52638	69.5
75.22824	29.2
80.35492	29.2
81.07076	29.4
81.22290	27.9
91.05438	36.7
119.08588	100.0
120.08837	39.1
245.19128	31.5
272.64453	28.4
309.10541	36.3
426.43668	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35982	1.3
55.01889	2.7
55.05514	3.2
57.03438	3.5
57.96074	1.4
58.06602	1.9
61.02932	7.7
67.05520	1.4
69.03434	16.8
70.06604	7.3
71.04983	4.0
71.53021	2.3
72.08160	12.6
73.02923	3.9
79.05505	1.5
81.03421	6.4
81.07051	1.3
83.04975	3.8
84.08142	4.9
85.02911	100.0
86.09709	9.4
87.04475	3.0
91.03951	7.2
91.05499	3.2
93.07016	1.9
97.02902	22.3
99.04462	5.2
100.07623	1.5
105.07026	1.6
106.02907	2.3
109.02894	6.8
110.07169	3.7
114.16085	1.9
116.07117	3.0
119.04946	1.4
120.08067	2.1
121.06547	1.7
124.03979	4.9
127.03929	28.4
129.10275	1.6
133.10109	1.6
136.07599	2.0
137.05986	2.3
141.10258	1.6
145.04974	60.9
147.04442	6.7
148.04709	3.2
151.11201	2.5
154.05035	2.3
156.07747	2.6
160.07614	6.8
161.07916	4.2
163.06035	31.7
163.07401	2.5
191.06981	1.7
209.08154	2.2
237.13310	5.0
252.12373	2.7
254.10266	6.3
254.12798	2.8
268.08224	2.8
354.18066	1.7
357.15317	5.0
416.19193	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	416.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66000	0.3
58.06605	8.5
69.03419	0.6
70.06601	3.7
70.28770	0.9
70.29088	0.4
72.08163	2.6
76.12842	0.3
81.39796	0.3
84.04507	0.6
84.08157	2.3
85.02895	1.5
86.09720	1.9
90.05556	0.9
95.06010	0.4
97.02877	0.5
103.05463	0.5
105.07027	1.1
109.06548	0.4
116.07111	4.4
119.04926	0.6
120.05746	0.4
121.06512	1.3
124.09089	0.4
127.03959	0.4
129.10243	1.5
133.06454	1.4
134.07269	0.6
135.08075	0.7
136.06180	1.1
139.07523	0.4
143.11731	0.4
145.04976	0.6
148.05203	1.0
149.05998	0.8
150.06766	5.0
151.07520	0.8
154.04942	0.4
163.07562	9.1
165.09129	14.9
177.05675	0.4
181.08583	0.9
191.07042	35.6
193.08627	6.0
193.10419	0.5
193.11119	0.4
204.10260	0.6
205.11050	0.5
206.11775	0.9
208.13199	0.8
209.08109	49.0
212.12064	0.4
236.12834	23.7
246.14542	0.4
248.86757	0.4
252.11116	0.4
254.13899	100.0
255.14073	0.8
255.73586	0.4
307.87393	0.4
410.11539	0.4
416.18820	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
55.01851	1.4
55.02090	0.3
55.83450	0.3
56.38604	0.3
56.66888	0.3
57.03421	0.7
58.06581	0.4
59.64912	0.3
61.02903	1.3
69.03435	4.3
70.06576	0.4
71.16952	0.7
73.02898	0.9
81.03403	1.6
82.06544	1.0
84.08144	2.6
85.02441	0.5
85.02911	7.6
87.04437	0.7
88.03990	4.1
93.03385	0.4
93.39391	0.3
97.02894	4.0
99.04428	0.6
105.06988	0.3
109.02858	1.3
111.00816	0.7
111.04452	0.3
115.05508	0.3
121.02000	0.4
121.02876	5.5
123.04428	1.8
124.07615	1.8
127.03891	1.2
128.07094	4.6
133.06482	0.5
139.02838	0.6
139.03908	11.0
145.04922	0.6
149.05959	1.5
151.03915	2.6
151.07536	2.2
153.05475	4.6
155.03381	1.1
161.05995	2.5
163.02568	0.5
163.03911	8.3
165.05377	0.3
166.08673	0.5
167.07016	0.4
177.05469	5.0
179.07039	5.6
192.10254	1.9
205.04980	4.1
208.09709	10.2
209.10085	0.4
210.11296	0.6
219.41898	0.3
223.06017	8.0
223.08185	0.5
254.10249	100.0
255.10652	1.8
278.58450	0.3
398.14557	0.6
416.15536	14.4
417.15814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
57.56454	0.4
59.13876	0.3
67.05506	0.5
69.03423	1.0
69.07056	0.6
69.38469	0.4
70.06599	0.5
73.86767	0.4
79.05496	0.9
81.03419	0.8
85.02900	2.7
87.00841	0.8
91.05489	4.4
93.07050	1.3
97.02894	1.3
103.05471	0.9
103.73554	0.4
105.01869	0.8
105.07043	19.4
106.07407	0.4
107.04978	0.7
107.08621	0.6
108.04501	0.6
109.02895	1.1
115.05434	0.9
117.07026	1.8
118.07813	1.4
123.04424	0.9
127.03957	2.0
129.06999	0.5
131.08586	1.7
133.10146	100.0
134.06036	1.4
134.10483	0.9
143.03397	0.8
145.04935	0.7
147.11726	0.9
150.12813	0.4
162.60507	0.4
167.07071	5.4
172.13838	0.4
173.05980	0.9
175.11264	1.1
181.04990	2.5
223.11241	0.6
231.05145	0.7
241.12309	0.9
248.07693	0.5
276.95599	0.4
284.38400	0.4
387.14389	0.7
416.26028	0.4
417.15469	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.4
55.01864	0.7
59.50573	0.2
62.06100	0.3
67.48643	0.2
69.03414	0.3
69.84036	1.0
70.06600	7.1
72.08136	0.3
76.68123	0.2
79.05511	1.7
84.08137	1.0
85.02900	0.6
86.09711	0.6
90.05568	0.3
103.05450	1.2
105.07043	19.8
107.04973	0.3
115.05448	0.8
116.07103	11.1
119.07334	0.3
129.10332	0.2
131.04919	0.4
133.06505	100.0
134.06831	0.8
191.49809	0.2
209.08199	0.3
249.07854	0.2
251.11862	0.3
254.10367	0.3
254.13910	0.5
262.08459	0.4
266.07990	0.3
279.11353	0.8
284.08011	0.3
308.09256	0.4
325.11868	1.7
341.00308	0.2
356.05142	0.4
377.83334	0.3
398.14709	0.4
409.63803	0.2
416.27411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3573
Annotation	13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid
Peak:m/z	Relative Intensity
53.03955	2.5
53.17801	2.1
55.05510	19.7
57.07069	7.2
64.87998	2.1
67.05508	34.7
69.07069	30.0
71.95517	2.3
72.45838	1.8
79.05498	21.4
81.06587	4.5
81.07059	75.1
83.08635	15.4
91.05489	17.3
93.07047	37.1
95.08614	76.1
97.10153	5.5
98.20757	4.0
105.07037	25.5
107.08607	32.6
109.10166	41.8
111.11738	3.1
117.06973	2.5
119.08591	89.7
121.10153	23.5
123.11715	34.4
129.84193	2.0
131.08629	4.7
133.10144	24.1
135.11703	22.1
137.13269	15.2
145.10129	7.6
147.11714	15.9
149.13280	14.8
159.11707	5.0
161.13245	10.4
163.14812	11.2
173.13264	5.8
175.14851	11.0
177.16377	9.6
189.16405	8.3
191.17973	6.5
199.58334	2.2
200.30914	2.6
203.17998	7.0
215.17821	2.8
217.19556	11.0
219.20993	2.2
223.17000	2.7
231.21107	6.5
237.18442	3.1
251.20061	3.8
277.21680	6.6
279.23248	3.8
283.06003	4.5
289.21777	2.9
291.23166	10.1
303.23178	3.6
305.24707	7.1
309.07697	2.7
317.24612	2.6
319.26346	5.7
331.26404	6.7
333.27838	5.8
345.27924	7.2
359.29453	7.1
370.04175	2.1
373.30850	3.7
415.35730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2847
Annotation	Actinopyrone C
Peak:m/z	Relative Intensity
51.21753	3.9
55.05518	10.6
57.07076	5.3
65.00629	3.5
65.80808	3.9
67.05499	17.1
69.07064	17.9
70.90443	4.4
71.52577	4.2
79.05513	15.6
80.22308	3.6
81.07068	79.0
83.08614	5.0
91.05478	19.3
93.07058	19.7
95.08617	39.2
97.10188	7.6
98.76793	3.4
103.43370	3.6
105.07056	17.8
107.05011	4.7
107.08628	19.2
109.10174	27.9
115.05469	7.9
117.07046	5.5
119.08592	91.4
121.10165	20.3
123.04492	6.9
123.11696	8.3
129.06953	6.1
133.06549	5.7
135.11708	10.4
137.13274	7.7
143.08559	6.9
147.08032	8.1
149.13301	12.7
157.06491	4.9
157.25050	3.8
161.06053	18.6
167.05669	5.5
167.07072	100.0
175.07603	10.4
181.08600	7.7
187.07510	4.4
189.09241	5.0
193.08675	18.1
199.97403	3.4
201.09172	6.8
205.08603	17.5
207.10181	39.9
219.10268	13.7
221.11830	19.0
231.10083	5.6
233.11717	12.4
235.13281	7.8
245.11769	5.8
247.13310	7.3
283.06140	9.9
291.15997	3.7
397.27490	10.0
415.28293	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3325
Annotation	Palmitoyl Serotonin
Peak:m/z	Relative Intensity
57.07063	1.4
57.56680	0.4
67.05499	0.8
69.07062	0.6
69.96217	1.4
71.08635	1.0
79.21095	0.4
79.81506	0.3
81.07057	1.0
85.10178	0.6
88.47697	0.4
91.05474	0.8
95.08631	0.8
105.07029	1.2
107.08599	0.4
115.05491	2.6
115.44107	0.4
117.05782	1.1
117.07084	0.4
118.06532	0.4
119.08609	7.7
130.06509	0.4
131.44205	0.3
132.08096	5.0
133.06512	0.6
135.11681	0.3
142.06456	0.8
148.07578	0.3
159.06818	0.7
160.07599	100.0
161.07961	0.8
167.69926	0.4
173.43266	0.3
177.10249	10.0
188.07147	0.6
188.79991	0.3
256.26184	0.4
282.27991	0.9
283.72955	0.3
398.30530	4.3
415.28073	0.7
415.33163	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	415.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01879	1.1
55.05500	2.6
56.05022	0.9
57.03414	0.9
65.03930	1.5
67.05502	4.7
69.03420	2.4
69.07076	1.2
70.06596	1.1
71.07364	1.9
71.53000	1.0
71.53378	1.0
72.08170	11.2
79.05503	22.2
79.05965	1.1
81.03415	2.7
81.07056	6.7
82.06542	0.8
84.06068	0.7
84.08153	2.4
85.02890	1.8
85.06535	0.8
91.05488	12.9
93.07065	6.2
95.04952	4.4
95.08606	2.7
96.04494	1.0
97.02922	1.4
97.06546	1.3
98.06043	1.1
103.05492	1.8
103.33525	0.8
105.03419	1.5
105.07047	17.4
107.04974	9.6
107.08604	15.0
109.02896	1.0
109.06506	1.5
109.10181	0.9
115.05470	1.1
117.07024	4.1
119.05006	1.0
119.06120	1.0
119.08575	4.8
121.02826	0.9
121.06517	1.8
121.10150	1.8
123.04464	5.3
123.08067	1.2
129.06985	2.5
131.04947	1.8
131.08592	7.0
133.06485	3.0
133.10117	4.5
135.04434	10.4
135.11658	1.0
137.05975	3.3
137.09734	1.1
139.09938	4.4
142.07687	1.0
143.08563	2.8
145.06482	2.3
145.10156	5.6
147.04430	6.2
147.08069	2.0
147.11690	6.9
149.02301	1.0
149.05992	3.2
149.09625	2.0
149.13286	1.1
151.03835	1.0
153.07056	1.5
155.08559	1.1
157.06494	1.7
158.07195	0.9
159.08067	1.7
161.05994	21.6
161.09657	1.3
163.07544	5.0
164.07037	0.9
167.07048	5.6
167.08522	1.7
171.08131	3.1
173.05988	2.8
173.09666	3.4
175.07573	2.6
175.11244	1.9
178.08601	2.4
179.07088	2.2
181.04933	4.0
181.08633	1.1
183.08162	1.6
185.09621	1.1
187.07588	3.3
189.09120	3.4
192.07716	0.8
195.06549	4.8
199.07504	2.1
201.09056	1.4
206.11861	1.0
208.13499	1.0
213.09167	2.8
215.10738	2.1
223.11168	1.5
225.09201	1.2
227.10735	1.3
232.13513	1.7
233.07893	1.4
241.12364	6.2
244.17004	2.5
245.72070	0.8
246.18564	10.7
262.17700	0.7
264.19675	2.1
298.14240	1.8
308.11032	0.8
309.15005	1.8
329.10284	1.3
344.12704	1.2
352.22852	0.9
380.22198	7.7
387.14371	1.5
397.17206	1.0
397.24924	25.8
398.23383	9.4
415.25974	100.0
416.26022	2.3
425.67194	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.0
67.05515	7.0
69.03434	8.9
69.07067	4.5
70.06583	10.5
71.43202	4.7
71.43531	4.6
72.08160	7.3
75.54039	3.4
79.05511	4.8
79.49973	3.5
81.07037	7.9
85.02905	12.3
86.09698	8.5
91.05467	17.5
93.07039	5.7
105.07042	10.9
107.08617	6.7
109.06519	5.3
109.10173	5.3
114.68419	4.5
117.07043	6.2
119.08543	7.4
121.06498	16.8
125.98101	3.7
129.06934	5.4
131.04948	8.8
131.08606	22.1
133.05022	6.4
133.06514	3.8
145.06480	6.5
145.10139	9.0
147.08064	63.0
147.11707	8.2
149.09560	5.8
155.08580	17.4
158.07272	7.1
159.08083	20.1
165.09128	12.0
167.10709	4.6
172.08862	4.7
173.09639	66.2
173.13354	5.1
175.11205	53.6
191.10759	32.5
201.12773	58.6
217.15886	4.4
219.13829	100.0
220.14172	4.6
237.14862	4.5
252.12334	7.1
253.12564	6.6
283.06113	8.7
295.06128	4.6
349.07385	4.1
397.09457	5.6
415.10229	9.6
415.18082	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	415.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
54.76398	0.4
55.05519	3.5
56.05026	0.6
56.28366	0.4
61.02925	0.6
62.72703	0.4
65.03926	0.7
67.05515	4.7
69.03442	3.3
69.07053	0.8
69.23760	2.6
69.24185	1.7
70.06583	1.9
71.07394	3.2
72.08163	12.0
79.05502	16.4
80.06264	0.5
81.03414	2.2
81.07063	4.7
83.04954	0.5
84.08157	2.4
85.02915	4.2
91.05483	12.2
93.07050	5.4
93.95046	0.4
94.06522	1.2
95.04986	3.6
95.08602	1.2
96.04491	0.8
97.02901	1.0
97.06548	1.2
98.06081	0.9
99.02721	0.5
99.04436	0.8
103.05480	1.9
105.01878	0.8
105.03384	1.4
105.04538	0.8
105.07039	16.4
106.07828	1.2
107.04967	6.3
107.08614	9.3
109.02895	0.9
109.06502	0.9
109.10203	0.6
115.05476	0.9
117.07040	4.7
119.04938	1.3
119.08582	4.5
121.06496	1.7
121.10139	1.0
122.06029	2.0
123.04440	5.1
124.07574	0.9
126.09156	0.6
127.03958	1.0
128.06239	1.1
129.07021	2.3
130.07831	0.9
131.04939	1.3
131.08578	6.4
133.06509	3.9
133.10158	3.8
134.91016	0.5
135.04431	11.9
135.08058	0.7
137.05992	3.6
139.09930	3.1
141.07005	0.8
142.07756	0.5
143.08548	1.8
145.04936	0.8
145.06496	2.1
145.10136	8.5
145.12196	0.5
147.04401	3.6
147.08046	2.2
147.11719	6.7
148.05135	1.0
149.06000	2.5
149.09729	1.1
149.13254	0.9
151.03963	0.5
152.10722	1.0
153.06982	0.7
155.08574	1.2
157.06488	1.3
157.10143	0.9
158.07297	0.7
159.08086	1.4
159.11725	0.5
161.05994	35.1
162.06360	0.5
163.03937	0.7
163.07538	3.1
165.05510	0.9
165.06924	0.9
165.11568	0.5
167.07062	3.6
167.08588	1.2
171.08061	1.3
173.05989	1.9
173.09636	4.2
174.06786	1.0
175.07585	3.9
175.11194	1.2
177.09114	1.0
178.08669	5.2
179.07054	3.1
179.08508	0.7
181.04974	2.0
181.06448	0.7
181.08496	0.6
183.08058	1.1
184.08791	0.5
185.05978	0.8
187.07532	4.7
189.09122	2.0
190.12231	0.7
191.10727	0.6
193.10222	0.6
195.06555	2.6
195.08012	1.1
197.09576	0.6
198.06795	0.9
199.07544	0.8
199.11148	0.9
200.08473	0.7
201.09102	1.4
205.08459	0.8
206.15276	0.5
209.09663	1.0
211.07538	0.9
212.08316	0.8
213.09154	5.3
215.10742	1.6
223.11009	0.7
225.09105	1.0
227.10785	0.7
229.08656	0.6
232.13441	1.4
241.12303	5.9
244.17023	2.4
246.18521	5.5
253.14127	1.7
259.13327	0.5
264.19598	1.1
267.13934	1.4
291.13565	0.5
309.11539	0.6
309.14929	1.5
326.17413	0.6
327.12585	0.9
327.16159	0.5
329.10193	0.9
341.09311	0.5
344.12534	0.7
380.22244	7.6
387.14554	0.5
397.16644	1.2
397.24902	31.3
398.23303	7.6
415.14050	2.1
415.19540	14.4
415.25900	100.0
416.26163	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1754
Annotation	Heteroflavanone C
Peak:m/z	Relative Intensity
67.05505	9.4
69.97117	9.8
69.97491	5.0
79.05508	15.9
81.07047	8.5
91.05480	12.2
93.07035	8.1
95.08646	5.8
98.98463	9.9
105.07029	8.9
107.04968	24.5
107.08566	5.4
115.05469	10.5
116.06284	3.2
117.07024	5.7
119.08601	7.8
121.06513	3.5
121.10176	4.4
124.05256	4.2
131.04893	2.9
131.08588	3.0
132.05739	3.8
133.06482	10.2
135.11713	5.4
144.05713	11.8
145.06465	7.5
147.08044	5.2
155.01038	9.7
159.08067	4.1
161.05977	11.7
165.06895	2.8
167.07045	60.4
173.06033	3.8
175.07574	26.0
181.08640	7.5
189.09138	17.2
190.06285	6.7
191.06998	7.3
193.08676	14.2
197.07933	2.9
199.07581	4.2
205.08615	100.0
207.08208	4.7
207.10136	12.0
210.06784	5.1
211.07686	5.1
217.08585	8.4
219.08104	7.5
219.10210	3.3
220.08940	3.1
222.06725	4.9
222.15659	2.4
231.08047	6.9
233.09619	4.1
234.06783	4.3
235.11220	4.9
238.06186	5.2
243.10194	3.8
243.21126	6.4
244.08945	3.2
245.09683	8.7
247.07599	7.7
248.08319	5.8
249.09103	5.6
253.08530	3.1
260.08182	3.5
261.08994	6.4
261.22110	14.5
262.09882	8.9
263.10791	5.8
264.08069	3.4
271.09668	15.4
273.09091	5.8
275.07043	5.5
276.07849	2.7
277.08551	7.8
277.12222	7.7
279.10330	4.6
284.06894	4.6
289.08508	5.9
290.09293	5.8
291.10178	7.3
293.08228	4.1
293.11633	3.7
297.11234	5.6
299.09137	8.0
305.11743	9.6
306.08963	3.4
307.09708	5.1
309.11273	4.4
315.08566	12.7
318.09210	3.3
321.07706	2.9
321.11313	3.1
322.12119	5.9
323.09341	4.7
323.12878	11.6
325.10577	2.8
329.10089	3.3
330.07489	2.8
330.11121	10.0
331.11783	28.0
333.11255	5.4
335.09201	4.2
337.10602	9.4
337.14383	11.0
339.12692	3.0
341.10156	6.0
343.11859	3.4
345.13403	10.9
350.11411	5.4
351.12488	8.9
353.10101	4.7
355.15411	8.4
356.12634	7.5
365.13861	31.0
367.11755	4.1
383.14941	10.2
385.16519	3.2
397.16470	40.5
415.17542	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.5
55.01880	11.7
55.05524	2.4
57.03437	5.5
58.06614	8.0
60.23223	1.6
61.02921	4.6
61.68393	1.4
65.03937	2.6
68.99791	4.4
69.03086	2.8
69.03437	33.9
69.07064	3.6
70.06599	2.8
70.70126	3.5
70.70478	2.3
71.05002	5.3
73.02926	8.0
79.05505	13.7
79.37899	1.4
80.30903	1.4
81.02985	2.5
81.03428	32.2
81.07062	4.5
83.05009	2.0
85.02914	73.0
86.09721	3.8
87.00835	30.0
91.03946	2.0
91.05491	18.0
93.07052	20.9
95.04999	9.6
95.08558	1.5
97.02908	26.3
97.80419	1.5
99.04451	13.2
103.03944	2.5
103.05489	1.9
105.01882	16.9
105.07060	8.0
107.04965	59.4
107.08608	13.8
109.02893	30.4
109.06524	22.3
111.04429	1.9
115.03957	1.7
117.01882	3.7
119.04969	2.1
119.08581	2.9
121.02908	3.1
121.06516	56.5
121.07399	3.4
121.10157	32.0
123.08096	2.5
127.03935	49.6
128.06184	1.5
129.01857	5.3
131.04944	2.7
131.08617	9.4
133.06520	4.2
137.09612	6.3
138.73907	1.4
145.04970	22.3
145.06473	5.0
147.02922	3.4
147.08028	3.1
149.05974	2.2
149.09634	100.0
151.07509	1.6
159.02911	17.9
160.07578	2.4
165.01875	3.5
165.09131	2.0
167.07095	6.9
167.10709	25.6
167.46185	1.6
171.08109	2.2
175.07520	1.8
181.04984	1.8
189.03943	2.5
189.09129	1.8
199.07513	2.5
203.10727	2.0
205.12338	1.6
213.03906	2.2
217.08611	3.0
229.12285	1.7
231.04933	7.9
233.11760	2.5
253.14456	2.2
271.06070	2.8
275.12735	1.8
281.08047	3.5
283.06018	33.1
295.06219	2.3
309.07483	11.0
313.07202	2.0
323.09216	4.7
333.07407	2.1
337.07184	13.2
349.07162	4.0
351.09192	1.7
360.72559	1.7
361.07074	2.4
367.08154	6.6
379.08154	6.9
379.13715	2.2
397.09268	6.2
397.14542	2.9
415.10175	6.8
415.17331	12.1
426.07861	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1027
Annotation	1-OH-Nogalamycinone
Peak:m/z	Relative Intensity
51.02378	0.1
52.70985	0.1
53.03934	0.1
55.01871	0.9
57.03444	0.6
61.02906	0.3
62.20557	0.1
65.03939	0.3
67.01859	0.1
67.05497	0.2
67.65857	0.1
68.99769	0.6
69.03425	0.4
70.06571	0.1
71.04938	0.1
71.52094	0.1
72.08157	0.1
79.01844	0.1
79.05481	0.2
81.03022	0.1
81.03424	0.8
81.07030	0.1
85.02421	0.1
85.02903	1.5
86.09688	0.2
89.03881	0.1
91.05477	0.9
92.99802	0.2
93.03407	0.1
95.04972	0.5
97.02884	0.5
99.04415	0.1
103.03918	0.2
103.05453	0.2
105.03407	0.2
107.04961	0.6
109.02881	1.2
111.04401	0.1
115.05440	0.2
119.04100	0.2
119.04949	3.5
121.02870	7.7
121.06478	0.1
122.03182	0.1
123.00758	0.7
123.01499	0.1
123.04423	0.1
127.03905	0.2
131.04916	0.6
133.02890	0.1
135.04401	0.6
137.02322	0.4
141.01816	1.2
145.02849	2.9
147.04440	0.6
149.02386	0.7
149.09531	0.1
151.03920	0.1
151.29492	0.1
153.01837	0.4
159.04436	0.5
161.02324	0.1
163.00237	0.2
163.03906	4.8
165.01837	16.4
166.02119	0.2
167.03413	0.4
169.02837	0.3
171.04446	0.3
173.02368	0.2
175.03902	0.5
177.01840	0.5
177.05486	0.6
178.07573	0.1
178.99774	0.2
179.03409	0.6
181.04956	1.3
181.06506	0.1
183.02902	3.2
187.03914	2.3
189.01852	0.8
190.02626	0.3
190.99750	0.4
191.03395	2.3
193.04973	0.1
195.02953	0.2
195.06493	0.1
197.00870	0.1
199.03917	0.2
203.03362	0.6
205.01425	0.2
205.04962	1.0
207.02869	0.3
207.08107	0.1
208.03642	0.1
209.00912	0.2
209.04454	0.3
211.07550	0.1
211.24016	0.1
213.05521	0.2
215.03392	1.2
217.04965	0.1
219.03116	0.1
221.04501	0.2
229.05022	0.6
231.02864	0.6
233.04495	0.5
239.07111	0.4
242.05759	0.2
243.02904	1.4
253.04948	0.1
253.08559	0.4
253.14369	0.1
254.05882	0.1
255.03491	0.1
255.06554	0.6
261.03760	0.5
263.07050	0.3
266.05576	0.1
267.06485	2.7
267.09476	0.1
268.07104	0.1
269.04297	0.2
270.05185	1.4
271.06021	6.9
272.06314	0.1
273.03918	0.2
277.08588	0.4
279.06549	2.1
280.07260	0.3
281.08087	11.5
282.08414	0.2
283.06006	100.0
284.06427	2.8
289.08478	0.3
291.06619	0.4
293.08105	1.0
294.05167	0.9
295.06015	8.2
295.09634	2.9
296.06573	0.4
296.09860	0.1
297.03934	0.8
297.07565	3.6
305.08078	3.3
307.02628	0.2
307.06030	2.7
308.06799	2.5
309.04126	1.8
309.07541	32.4
310.07828	0.8
311.05438	1.0
311.08908	0.2
313.07062	3.5
314.07254	0.1
319.06039	0.2
320.06577	0.4
321.07587	3.5
322.08060	0.2
323.05789	0.8
323.09122	15.9
324.09567	0.5
325.07114	0.8
331.05853	0.1
333.07553	4.8
334.07919	0.1
335.05481	0.8
335.08997	0.2
336.06229	0.1
337.07050	46.7
338.07449	1.1
341.06717	0.1
349.07071	12.8
350.07434	0.5
351.08597	2.9
352.08710	0.1
353.06390	0.1
355.08276	0.4
361.07071	10.5
362.07306	0.3
367.08121	22.4
368.08441	0.6
379.08130	19.5
380.08536	0.7
397.09183	20.7
398.09424	0.5
415.10239	21.3
416.10687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	32.8
69.03439	9.2
69.07054	11.3
69.92832	22.5
70.06599	27.0
72.08170	12.7
81.04533	5.8
83.72694	4.6
84.04525	4.9
84.08153	33.4
84.96072	6.5
85.02916	14.9
85.08495	7.3
86.09715	36.5
87.05611	9.5
97.02888	11.5
97.96754	6.0
98.02432	11.0
98.97594	92.2
103.05512	6.2
108.08107	6.0
108.85843	4.7
110.02412	4.7
110.07143	5.9
110.97560	31.5
112.07666	5.0
116.98634	33.3
117.53468	4.2
117.54429	4.5
120.08100	12.9
124.05008	5.2
125.03497	17.8
126.06717	6.4
128.98619	27.9
129.10281	5.4
130.08649	5.8
131.00198	4.5
132.64391	4.9
134.99651	8.2
136.06206	4.6
137.05974	7.3
140.29520	4.5
141.10263	5.3
142.06100	8.6
143.00156	7.8
145.04933	6.6
146.99663	12.9
151.03842	7.1
152.04573	22.5
152.07053	6.1
158.99736	5.7
163.03893	11.2
166.08714	14.9
170.99669	9.9
177.00797	7.1
201.00861	5.6
210.99153	9.0
219.01768	68.1
223.02722	7.0
226.01588	7.9
229.00266	6.5
230.85339	5.5
235.02783	16.7
237.02870	80.3
238.09407	4.2
238.11917	12.2
241.03954	8.6
243.61188	4.6
253.03888	5.7
256.13016	10.7
265.03766	5.2
266.08881	6.0
271.04852	8.5
284.12485	31.8
301.15131	8.1
320.27420	5.4
355.03369	10.3
355.07172	6.7
363.12817	6.9
367.07062	13.5
373.04514	10.3
379.78812	5.8
380.15317	4.6
385.08078	7.2
400.13809	5.0
415.09833	100.0
415.17621	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	415.101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96301	0.9
56.96572	14.4
57.03441	1.4
61.02929	1.3
65.18537	0.6
66.88144	0.8
69.03427	2.7
69.07059	1.0
69.96593	3.3
70.06599	3.9
71.04996	0.8
71.95256	2.3
72.08157	0.7
72.94819	0.7
73.02900	1.4
74.17236	0.8
84.04504	0.9
84.08158	4.7
84.96051	3.8
85.02914	5.9
85.46846	0.9
86.09710	3.6
89.03920	1.0
97.02897	3.5
97.96819	1.5
98.02514	0.9
98.20837	0.9
98.97597	100.0
110.02427	0.8
110.97584	10.4
112.99197	1.2
116.07162	1.5
116.98637	40.5
123.05586	0.9
127.03903	1.4
128.98601	7.6
130.08673	2.4
131.00183	1.7
134.19427	0.7
134.99670	11.2
135.04391	0.9
136.06190	4.2
137.06577	1.8
140.00307	1.0
140.98602	1.1
143.00197	2.7
144.98128	0.9
145.02861	1.0
145.04996	1.1
146.99706	3.6
147.04405	2.0
149.01268	1.2
152.04553	1.1
152.05708	1.0
154.93292	1.3
158.99655	11.3
161.01208	2.1
162.99171	0.9
163.03891	4.5
170.99670	2.8
172.94339	3.5
177.00725	7.4
185.01306	0.7
189.00752	2.5
190.95451	2.4
193.99046	0.8
195.01834	0.8
201.00851	2.3
203.03970	0.9
207.01913	0.9
209.01326	1.2
213.00630	1.9
214.00659	0.8
214.95496	3.0
218.99736	1.5
219.01791	14.6
223.02960	1.1
226.01761	1.0
226.05971	0.8
227.02275	1.3
227.06865	0.8
229.00394	1.3
232.96495	5.6
235.02785	3.5
237.02840	16.0
237.05177	1.2
238.01424	1.4
238.03474	0.9
238.11867	1.2
241.03767	2.8
245.03340	1.0
246.96898	0.9
247.85582	0.8
250.97508	2.1
251.02272	1.3
253.03960	5.3
254.10246	5.9
256.02817	0.9
256.96509	10.7
260.02109	1.1
262.01166	1.0
265.06076	1.3
269.03442	5.3
270.91440	0.8
271.04971	2.2
274.97537	75.9
275.97839	1.0
277.04059	4.5
277.07047	0.9
284.12555	1.2
292.98578	34.0
295.05090	5.8
297.99197	1.6
311.04333	3.1
316.00482	1.3
337.05835	1.4
355.07071	2.5
367.07016	1.1
372.64908	0.9
373.04236	2.1
378.01123	0.9
379.09052	1.6
414.95419	5.1
415.09888	38.3
415.17850	1.5
432.96524	4.3
433.10214	4.1
433.87976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.9538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98640	0.3
56.96302	0.3
56.96571	6.1
69.54497	0.7
69.54923	0.9
71.95264	1.7
76.82654	0.2
93.50974	0.2
98.97590	84.9
99.97873	0.4
116.98629	32.2
124.95592	0.2
130.93330	0.8
131.26241	0.2
134.99669	5.7
140.00204	1.1
158.01276	0.4
172.94374	4.9
186.04590	0.3
190.95419	2.8
192.33501	0.2
196.94383	0.3
197.95322	0.3
208.96600	0.3
214.95369	4.3
230.98555	0.3
232.96471	5.9
240.93378	0.3
250.97519	2.1
256.96451	20.2
258.99796	0.8
260.99622	0.3
261.02917	0.3
263.02847	0.3
274.97519	100.0
275.97910	0.8
277.00821	0.7
283.00159	0.3
292.98572	40.8
293.99008	0.3
297.99084	2.4
301.01205	0.3
314.95905	0.3
315.99832	0.5
318.98981	0.3
330.93225	0.4
372.94467	0.4
373.01495	0.3
392.88330	0.2
414.95386	5.4
432.96463	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	415.1005
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
50.67735	3.5
70.97972	7.9
84.08143	18.0
105.10881	3.8
186.06216	7.5
224.07660	6.4
242.08565	6.0
286.07745	12.5
304.08755	6.1
415.04904	6.9
415.10092	100.0
415.15277	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	414.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.3
57.07064	2.3
67.05492	8.4
68.70731	1.9
69.03425	3.1
69.07077	9.4
71.08615	7.1
71.52502	2.8
77.11815	2.9
79.05498	6.9
80.21838	1.7
81.07061	12.3
83.08604	2.5
83.17509	2.2
83.20953	1.8
85.06536	2.4
91.05472	6.3
93.07037	13.4
95.04942	5.0
95.06097	3.7
95.08608	11.7
97.06553	2.1
97.10123	2.5
99.08075	7.2
105.07029	9.0
107.08579	5.3
109.06532	9.4
109.10190	3.5
119.08609	13.2
121.06488	4.5
121.10181	2.5
131.08577	4.5
133.10155	3.5
135.08063	4.5
135.11668	2.9
145.10117	3.0
147.11710	3.3
149.13274	2.4
153.06842	2.0
163.11176	3.9
165.12766	29.8
168.61731	2.0
173.13271	3.7
177.12697	5.4
179.84007	2.1
181.15813	5.0
185.66127	2.2
191.14317	2.4
233.15288	2.3
261.22296	12.1
271.20569	2.5
279.23059	3.4
289.21631	41.8
307.22681	13.9
333.24194	41.7
351.25296	100.0
414.25903	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	414.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10470	1.8
55.05504	3.1
58.26738	1.8
66.00110	1.8
66.94791	2.0
67.05507	9.2
69.07072	3.7
71.08651	11.0
71.52026	1.7
75.37267	1.8
79.05495	11.3
81.03430	2.3
81.07082	10.7
83.08618	2.5
91.05473	6.5
93.07049	13.0
95.04958	3.1
95.06076	2.5
95.08606	8.2
99.08091	6.9
105.07030	6.8
107.04944	2.2
107.08583	7.6
109.10146	4.3
119.08577	10.1
121.10164	8.0
129.07008	2.0
133.10120	3.6
135.04401	4.2
135.11736	10.3
140.87848	1.8
151.11217	5.0
161.13298	3.8
179.14346	31.1
277.21686	21.5
293.94971	1.8
351.25320	100.0
393.10480	3.4
414.26398	4.5
431.17410	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.3
55.05509	17.6
56.05050	3.4
58.06613	3.7
65.03926	6.3
67.05514	33.7
68.07537	2.8
69.03444	3.2
69.05905	2.9
69.07076	6.5
70.06593	9.2
71.07343	4.2
72.07753	5.6
72.08163	100.0
79.05074	5.3
79.05505	74.0
81.03416	11.9
81.07072	48.3
83.08619	4.3
87.04488	6.9
89.26270	3.3
91.05495	71.2
93.07056	40.8
95.04982	12.6
95.08651	7.2
98.06053	7.8
105.07044	92.7
107.04968	5.8
107.08604	67.2
107.16564	3.2
109.06547	17.2
117.07016	4.2
119.08585	44.7
120.05704	3.2
121.06485	14.9
121.10152	10.6
123.11734	3.8
129.07018	7.7
131.08553	17.8
133.06511	9.7
133.10156	36.5
135.11708	6.3
139.09944	5.4
142.07797	5.0
145.10130	5.7
147.08052	6.8
147.11699	74.0
149.13293	19.8
151.11230	5.0
152.10742	5.6
157.00336	2.9
157.10149	11.0
161.09610	3.8
163.11169	3.5
164.10768	3.7
166.12263	4.2
173.09698	9.4
175.11198	39.5
177.12744	7.5
178.12241	3.4
184.16820	3.2
187.11145	5.0
199.11330	3.6
204.13872	5.7
208.30444	3.4
217.15897	3.6
243.13913	5.6
246.18562	97.4
247.49811	3.4
252.12411	3.8
264.19620	7.0
271.15616	5.3
314.21127	5.7
320.85757	3.5
396.29028	91.0
397.29391	4.0
414.29950	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	414.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.7
55.01857	4.3
55.05515	25.9
65.03945	8.4
65.30261	3.3
66.44762	2.7
67.05517	43.1
69.07065	8.9
70.06593	10.9
71.07359	6.4
71.52574	4.7
72.08166	91.8
79.05074	5.4
79.05504	80.4
81.03442	14.1
81.03855	3.1
81.07073	50.7
83.05009	6.0
83.28439	3.2
87.04476	4.4
89.06035	3.5
91.05489	75.3
93.07059	44.9
95.04975	17.2
95.08614	12.3
97.06568	5.1
98.06077	7.4
98.45012	2.9
105.07042	100.0
107.04984	8.0
107.08602	64.4
108.08888	3.1
109.06509	14.5
109.10163	4.6
110.09657	4.0
117.07010	6.8
119.08593	43.9
121.06525	11.0
121.10167	9.4
123.11750	5.1
126.09193	3.9
129.06985	7.5
131.08578	22.6
133.06502	10.4
133.10136	45.7
135.08026	3.3
135.11696	4.1
137.05988	3.8
137.33829	3.3
139.09952	6.4
139.11166	4.1
142.07774	5.9
145.10130	7.6
147.08061	6.6
147.11707	73.7
149.13260	27.6
151.11195	6.7
152.10692	6.3
156.26698	3.0
157.10207	6.6
161.09660	4.1
163.11168	3.7
164.10677	3.4
166.99066	3.2
173.09671	7.2
175.11209	41.4
177.12843	4.2
179.59418	3.1
201.09184	5.7
204.13905	6.5
215.14433	4.2
217.16016	5.7
241.16071	3.4
243.13875	6.2
246.18575	98.0
264.16577	3.3
264.19553	8.1
271.15555	3.5
298.90030	3.0
314.21408	6.4
325.21625	6.7
333.48697	3.0
368.28787	3.6
396.29010	87.0
414.30017	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.1
54.83369	2.7
55.01880	5.8
55.05313	2.5
55.05515	26.4
57.07077	5.9
65.03938	3.6
67.05511	31.3
69.07079	19.8
70.06605	6.9
71.07351	4.0
71.53117	3.1
72.08160	100.0
79.05508	50.7
81.03413	13.5
81.07063	60.8
83.04982	5.3
83.08622	5.4
85.06504	3.5
91.05493	47.9
93.07051	32.7
95.04961	10.4
95.08599	23.5
97.06558	3.6
98.06073	4.9
100.75860	2.6
105.07048	54.8
107.04968	4.5
107.06998	2.8
107.08601	41.3
109.06528	17.8
109.10154	23.4
117.07026	10.9
118.90824	3.2
119.04894	3.2
119.08601	53.7
121.06503	4.5
121.10136	9.4
123.11731	11.5
128.06256	7.9
129.07001	9.0
130.07715	3.0
131.08586	28.6
133.06517	4.2
133.10149	28.7
135.08034	4.1
135.11694	6.6
137.05989	18.1
139.09900	6.8
140.10617	3.5
141.06972	7.5
142.07796	8.7
143.08542	28.4
145.10164	28.0
147.08006	4.8
147.11682	20.9
149.13307	3.7
151.11153	4.0
152.10718	9.7
155.01041	4.8
155.08554	21.2
156.09305	5.3
157.10126	21.6
159.08130	3.1
159.11676	19.7
161.13235	6.3
164.96539	3.6
167.08591	13.9
168.09399	3.9
169.10139	29.3
171.11707	20.1
173.09656	5.9
173.13274	8.1
175.11191	4.1
179.08658	4.7
180.09256	4.2
181.10101	14.2
183.11678	27.0
185.13219	11.5
187.11217	6.6
187.14836	7.9
189.16362	14.9
193.10054	4.8
195.11655	16.7
196.12614	4.8
197.13332	19.4
199.11217	4.2
199.14812	9.6
207.11696	5.4
208.13380	55.4
209.13298	13.7
211.14816	10.8
213.16341	9.0
215.14240	6.0
221.13255	4.2
223.14839	15.0
225.16391	8.4
226.14430	10.0
227.14400	3.7
229.15926	3.6
229.19463	3.4
235.14784	3.4
237.16414	4.5
239.14352	5.7
239.17979	31.9
244.17004	4.2
246.18613	25.3
247.14687	3.7
251.14404	5.6
255.21074	3.1
261.22198	7.3
264.19577	7.8
265.19461	10.4
269.15259	3.8
279.21085	13.6
297.22290	6.5
307.20508	12.8
308.19849	3.2
312.23383	3.7
325.21771	6.8
340.22751	8.7
349.57574	3.5
358.58420	3.1
378.27951	26.4
396.28995	93.1
414.30042	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04058	3.0
53.03938	3.6
55.05510	16.8
57.07071	4.4
59.05009	4.3
67.05508	26.1
69.03436	3.3
69.07087	16.6
70.06623	3.3
71.07401	3.9
71.52811	3.8
72.08160	48.0
79.05499	53.3
81.03424	7.6
81.07056	30.2
83.04967	3.4
91.05492	33.5
93.07058	30.3
95.04964	14.4
95.08619	9.5
98.93291	3.0
105.07044	50.8
107.04961	9.3
107.08607	47.2
109.06529	15.7
109.10167	12.2
115.05519	3.3
117.06998	14.1
119.08604	30.3
121.10147	10.0
123.08064	3.4
123.11704	11.4
129.06998	9.1
131.08592	23.9
133.06488	6.6
133.10155	23.3
137.06010	3.8
139.09898	8.1
141.07124	4.3
142.07771	3.9
143.08592	13.6
145.10144	17.7
145.68690	3.2
147.08046	5.0
147.11720	26.7
149.13263	9.4
151.11209	27.3
155.08553	8.8
157.10158	11.2
158.10927	3.7
159.11720	9.4
161.13300	4.5
168.09351	3.7
169.10124	11.9
171.11716	9.2
173.13307	9.1
175.11270	3.8
183.11696	10.8
185.13339	7.3
187.14775	8.2
193.10210	5.0
195.11743	6.7
197.13326	7.9
201.12946	3.2
209.13228	4.8
211.14850	9.1
223.14740	5.6
227.17941	3.1
237.16415	7.0
239.17989	6.9
246.18553	61.5
261.22098	5.8
264.19571	26.6
265.15601	3.2
265.19626	10.1
284.10751	4.9
300.19531	6.5
307.20605	9.7
325.21823	4.7
366.72339	3.3
378.28119	25.5
396.29016	100.0
414.29990	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
54.70715	0.6
55.05503	1.9
57.07070	1.1
67.05515	4.0
68.05022	2.9
69.03423	1.6
69.07060	2.3
70.06599	35.2
70.96625	1.4
71.04968	1.5
79.05502	4.0
80.04148	0.7
80.05004	0.7
81.07068	4.9
82.06585	1.0
83.04977	1.3
83.08595	1.1
84.08133	1.7
85.06532	1.9
87.04482	1.1
89.40189	0.7
91.05492	7.0
93.07045	7.1
94.06572	1.4
95.04980	1.8
95.08605	2.9
96.08132	3.5
97.06522	2.0
98.06087	1.1
100.07628	7.5
105.07043	12.6
106.94377	0.8
107.07394	0.8
107.08610	6.6
108.08107	1.5
109.06534	5.3
109.10162	4.0
114.05528	4.3
116.07124	2.9
117.07001	3.5
119.08598	15.5
120.08156	3.7
121.06533	1.0
121.10135	3.1
122.09665	2.8
123.08054	2.3
125.05979	1.2
125.09664	0.9
128.06189	1.8
128.07071	11.7
129.07028	2.9
130.07796	1.1
131.08586	7.8
133.10127	5.3
134.09642	2.0
135.08047	2.5
135.11737	0.8
136.11247	4.2
137.09627	2.5
140.07018	0.7
140.10641	0.9
141.06958	0.9
142.07770	3.1
143.08577	8.1
144.09373	2.7
145.10141	14.2
146.09607	1.2
147.10541	1.0
147.11694	3.7
148.11235	4.0
149.09631	1.4
151.07555	0.8
154.08655	1.7
155.08582	2.1
156.09340	3.4
157.08934	1.2
157.10130	9.8
158.10905	0.8
159.08099	1.3
159.11723	4.5
160.11224	2.0
161.09593	1.0
161.13333	1.1
162.12782	5.6
163.11201	1.9
165.09096	4.5
166.08652	2.3
167.08536	1.5
168.10233	22.0
169.10175	3.6
170.10986	1.1
171.11723	5.8
171.89034	0.6
172.11200	1.2
173.09615	1.5
173.13268	2.3
175.11237	2.5
178.08635	6.3
179.08548	0.7
179.14484	0.7
181.10023	1.1
181.12267	2.4
182.10912	2.1
183.11720	3.6
185.13290	3.7
186.11304	0.8
186.12836	1.3
187.14894	0.9
188.14412	1.2
189.12823	1.1
190.15932	2.4
192.10202	2.0
194.11884	4.1
195.11716	2.3
196.12643	0.7
197.13300	4.2
199.11287	0.7
199.14836	2.8
202.15857	0.9
203.14352	2.0
206.11862	0.8
207.11777	0.8
208.12654	1.1
209.13277	2.5
215.14340	2.4
221.15356	14.8
221.17352	1.2
222.15591	0.7
223.14775	3.2
225.16441	0.8
232.13371	1.6
234.14890	2.1
237.16457	1.2
244.13237	1.4
246.14970	0.9
258.14926	0.9
259.15771	1.1
260.16516	1.4
263.18167	1.0
265.19623	3.0
268.67020	0.8
283.05963	0.9
301.21768	0.8
312.19708	0.6
340.19138	0.7
352.26495	1.7
356.22308	1.9
370.27420	10.3
396.25513	5.3
414.26419	100.0
415.26669	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	414.2643
Annotation	Yesodine
Peak:m/z	Relative Intensity
53.54084	0.6
55.05507	2.8
57.07077	1.4
65.32838	0.6
67.05508	3.7
68.05029	2.4
69.03416	1.7
69.07059	2.0
70.06600	32.6
70.96479	1.7
71.04990	1.3
73.05877	0.6
74.83788	0.6
79.05505	3.6
79.15972	0.6
80.05022	0.8
81.07056	4.7
83.04973	2.2
83.08626	0.8
84.08141	0.6
85.06550	1.9
87.04501	1.0
91.05494	5.8
93.07055	7.0
94.06571	1.3
95.04991	1.6
95.08622	3.3
96.08156	4.0
97.06537	1.3
98.06058	0.6
98.99449	0.6
100.07626	8.8
103.05472	0.9
105.07046	10.2
107.08598	6.8
108.08095	1.7
109.06532	5.2
109.10174	3.4
112.08765	0.8
114.05534	4.3
115.05492	0.6
116.07107	3.2
116.22147	0.6
117.07001	2.9
119.08597	13.0
120.08137	3.3
121.06527	0.7
121.10160	3.8
122.09682	2.4
123.08068	2.4
124.11242	0.9
125.06107	0.7
125.09669	0.8
128.06219	1.7
128.07079	13.3
129.07004	2.3
131.08588	7.3
132.08057	0.9
133.09172	1.0
133.10127	6.2
134.09683	1.8
135.08090	1.3
135.11708	1.1
136.11252	3.9
137.09608	1.8
138.09152	0.8
140.07068	0.9
142.07776	4.5
142.08701	0.8
143.08580	8.2
144.09352	2.4
145.09053	1.1
145.10139	14.0
146.09688	1.6
147.08058	1.8
147.10585	1.2
147.11693	4.9
148.11218	3.9
149.09610	0.7
151.06328	1.5
154.08644	1.8
155.08559	2.1
156.09363	4.0
157.10136	12.1
159.08022	1.4
159.11722	3.7
160.11191	0.9
161.09644	0.6
161.13287	0.7
162.12778	4.0
163.11215	1.9
165.09142	3.8
166.08678	2.6
167.08612	1.1
168.10233	26.5
169.10117	3.2
170.10933	1.8
171.11711	5.9
172.12482	1.0
173.09689	1.7
173.13264	2.3
174.12730	0.8
175.11160	3.3
178.08649	5.3
179.08537	0.8
179.14262	0.7
181.10068	1.5
181.12267	1.0
182.10873	1.2
183.11667	3.7
185.13295	2.4
186.12830	1.2
187.11154	0.7
187.14915	0.9
188.14299	0.6
189.12814	0.8
190.15962	2.1
192.10205	2.2
193.10152	0.7
194.11928	5.0
195.11690	3.2
197.13272	4.3
199.11018	0.7
199.14949	3.3
203.14395	1.7
206.11804	1.1
207.11813	1.2
208.12785	0.8
209.13254	2.5
211.14949	0.7
215.14359	2.8
221.15372	14.4
221.17357	1.2
223.14838	3.0
225.16446	1.4
227.14430	0.7
232.13274	1.2
234.14882	2.8
244.13469	0.9
246.14902	2.0
258.14944	1.3
259.15723	0.9
265.19568	2.4
270.15015	0.7
284.16498	0.7
298.17944	1.2
299.20099	1.7
301.21780	1.3
312.19595	1.4
313.20331	1.1
322.91492	0.7
334.20435	0.8
352.26434	0.9
356.22299	2.5
370.27533	5.1
396.25394	3.3
414.26434	100.0
415.26724	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2643
Annotation	Yesodine
Peak:m/z	Relative Intensity
53.03951	0.7
55.00046	0.6
55.05511	2.0
57.07072	1.3
58.41963	0.5
67.05508	3.5
68.05034	2.7
69.03420	1.9
69.07077	2.3
70.06601	36.3
70.96757	1.1
71.05003	1.0
79.05504	3.8
81.03477	0.5
81.07062	3.9
83.04976	1.8
83.08614	1.6
84.08153	1.2
85.02936	0.5
85.06548	1.4
87.04470	1.1
91.05488	7.1
93.07051	7.2
94.06577	1.3
95.04968	1.9
95.06103	0.6
95.08611	2.5
96.08133	4.2
97.06536	1.7
98.06044	1.4
100.07631	9.7
105.07045	12.7
107.08595	7.4
108.08106	1.7
108.82507	0.4
109.06534	4.9
109.10163	3.2
111.08105	0.7
113.06028	0.6
114.05535	3.6
115.05434	0.8
116.06353	0.5
116.07080	2.9
117.07035	3.0
118.06591	0.7
119.08593	16.3
120.08112	4.1
121.06510	1.1
121.10178	3.2
122.09695	3.1
123.08092	2.6
123.11768	0.6
125.05994	0.9
125.09624	1.4
128.06252	1.5
128.07088	11.5
129.07005	3.0
130.07840	1.2
131.08589	7.7
132.08115	0.6
133.06561	0.7
133.10147	5.2
134.09659	2.2
135.08064	1.7
135.11681	0.9
136.11235	3.6
137.09665	2.6
140.10715	0.9
141.06976	0.9
142.07748	3.6
142.08659	0.8
143.08583	6.9
144.09367	1.5
145.10133	13.3
146.09676	1.4
147.08075	1.3
147.10561	0.6
147.11668	4.3
148.11206	4.5
149.09660	1.1
149.12000	0.8
151.06328	1.8
151.07509	0.9
154.08626	2.0
155.08569	1.7
155.10687	0.9
156.09358	3.3
157.10143	10.4
158.10959	1.2
159.08084	1.3
159.11697	4.2
160.11209	0.5
161.09627	1.1
161.13297	0.7
162.12807	4.5
163.11186	2.2
164.07089	1.2
165.09117	5.1
166.08701	2.6
167.08615	1.3
168.10234	27.4
169.10106	3.1
170.10953	1.1
171.11722	4.8
173.09636	1.5
173.13268	2.2
174.12872	0.7
175.11200	3.8
178.08661	6.1
179.08632	1.0
179.14351	0.9
181.10120	1.5
181.12260	2.0
182.10884	0.8
182.11975	0.6
183.11731	3.8
185.13283	3.4
186.12778	1.0
187.14914	1.1
188.14375	0.7
189.12822	0.7
190.15892	2.8
192.10191	2.5
193.10098	1.0
194.11880	5.5
195.11703	3.8
197.13315	4.4
199.11218	0.6
199.14859	2.8
200.14246	0.8
201.12680	0.5
201.16402	0.5
202.16078	0.5
203.14360	2.5
206.11812	1.0
207.11682	0.6
207.13788	1.0
208.09511	0.6
208.12506	0.7
209.13293	3.0
211.14850	0.8
213.12668	0.6
213.16461	0.7
215.14366	2.3
221.13557	0.8
221.15392	17.2
223.14851	2.8
225.12779	0.9
225.16443	1.4
227.14377	1.1
232.13406	1.5
234.14949	3.2
237.16394	1.0
241.15831	0.7
244.13327	0.8
246.14919	1.7
252.17612	0.5
258.14917	0.8
260.16599	0.7
265.19614	3.8
272.16446	0.9
273.18466	0.5
281.19049	1.2
283.20584	0.9
299.20096	2.0
301.21661	1.3
312.19330	0.9
313.20474	0.9
328.19226	0.6
334.20407	0.5
352.26440	1.1
356.22263	1.4
370.27426	6.3
396.25525	2.5
414.26434	100.0
415.26559	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	19.2
57.07072	2.1
59.05002	6.6
60.04531	1.8
61.02921	1.5
67.43295	1.0
69.03436	58.9
70.06593	6.5
70.22602	1.2
70.64289	3.0
72.08140	1.7
73.02934	5.6
73.06562	1.8
73.12648	1.1
75.04475	1.1
81.03411	3.0
84.04501	1.2
84.08141	2.9
85.02910	55.8
86.09685	2.5
87.04474	47.7
91.03951	2.0
97.02900	55.6
97.03530	2.7
99.04462	2.7
109.02914	2.8
115.03941	83.1
116.07115	5.9
126.05518	1.2
127.03931	8.5
129.10217	2.0
133.04973	100.0
144.06615	2.0
145.04967	20.6
149.11754	1.5
150.07649	7.3
162.07585	3.6
163.06033	7.8
166.08627	1.5
169.05002	1.2
180.08679	3.5
229.03806	1.1
234.11128	1.1
241.07059	3.3
247.11659	1.6
259.08157	4.2
265.12778	1.4
277.09213	2.5
295.10294	2.5
414.21667	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.05505	3.0
57.07073	1.8
67.05498	2.9
68.05027	2.7
69.03440	1.6
69.07066	2.0
70.06599	34.1
70.42049	2.3
71.05000	1.6
75.42067	1.0
79.05502	3.0
80.05036	0.8
81.03385	1.0
81.07065	4.2
83.04978	2.0
83.08630	1.2
84.08158	1.4
85.06533	1.6
91.05496	5.6
93.07066	6.8
94.06560	2.2
95.04970	2.3
95.08602	3.6
96.08143	4.8
97.06522	2.1
98.06051	1.8
100.07634	8.3
103.54410	1.0
105.07044	11.2
107.08606	7.6
108.08110	2.1
109.06516	4.6
109.10150	3.3
114.05535	2.6
115.05405	1.1
116.07116	2.5
117.07032	2.9
119.08589	15.1
120.08071	4.2
121.10190	3.8
122.09668	2.7
123.08083	1.9
125.09632	0.9
128.06255	1.6
128.07094	14.6
129.06955	3.8
130.07776	1.5
131.08589	7.8
133.09174	1.0
133.10124	6.7
134.09637	2.2
135.08069	1.7
136.11247	3.2
137.09634	2.7
141.06940	1.0
142.07777	4.8
142.08685	0.9
143.08566	7.6
144.09290	2.0
145.10138	12.9
146.09622	0.9
147.08046	2.0
147.10596	1.0
147.11711	4.4
148.11194	3.6
149.09625	1.1
150.49152	0.9
151.06268	0.8
151.07516	1.2
154.08665	1.6
155.08546	2.3
155.10638	1.2
156.09349	4.0
157.10149	10.7
159.08107	1.0
159.11723	3.2
162.12791	3.0
163.11220	2.6
165.06979	0.8
165.09143	3.4
166.08664	1.8
167.08553	1.6
168.10231	26.6
169.10201	2.8
170.11017	1.2
171.11739	6.0
172.12555	1.2
173.13280	4.0
175.11183	3.4
178.08682	4.6
181.10129	1.7
181.12289	2.2
182.10866	1.5
183.11713	3.0
185.13284	3.5
186.12819	1.7
188.14339	0.9
190.15924	2.6
192.10210	2.5
193.10023	1.4
194.11894	4.7
195.11708	3.1
197.13300	5.0
199.14862	3.1
203.14320	2.8
206.11806	1.2
209.13242	2.2
210.12729	0.8
213.16359	0.9
215.14326	4.2
221.13432	0.9
221.15390	14.5
223.14832	1.6
225.12904	1.2
225.16547	1.0
232.13266	1.0
234.14925	3.3
244.13326	1.5
246.14978	1.2
258.14896	1.9
265.19458	2.2
270.14932	0.9
272.16531	1.1
280.94562	0.8
283.20621	1.2
299.20035	1.8
301.21609	1.1
312.19571	1.5
313.20364	1.1
356.22330	1.8
370.27408	6.5
378.23819	1.0
396.25253	3.6
414.26443	100.0
415.26859	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
54.78685	1.1
55.01875	1.7
55.05511	3.3
57.03426	2.3
57.07074	1.6
59.05013	1.4
67.05508	4.5
68.05032	3.0
69.03435	19.5
69.07069	2.1
70.05798	1.2
70.06602	36.6
70.62971	3.2
71.04998	18.1
71.13123	1.2
79.05495	5.2
81.03426	26.3
81.07063	7.7
82.06583	1.7
83.04993	1.9
83.08611	1.9
85.02911	25.8
86.30913	1.0
87.04484	1.7
89.06025	8.0
91.05494	7.9
93.07071	9.0
94.06572	1.2
95.04994	3.2
95.06104	2.3
95.08597	4.0
96.08156	6.2
97.02897	14.5
97.06543	4.9
98.06041	1.1
99.04478	5.7
100.07614	7.9
105.07054	11.8
107.08607	7.1
108.08137	2.0
109.02151	1.3
109.02889	22.2
109.06544	5.9
109.10165	4.3
113.09608	1.2
114.05543	3.0
116.07082	2.7
117.07016	4.0
119.04987	5.4
119.08594	15.6
119.10476	1.1
120.08112	3.5
121.06528	1.1
121.10166	5.3
122.09684	3.4
123.08083	2.4
125.09630	2.2
127.03925	29.5
128.06250	1.9
128.07098	11.4
129.07045	3.6
130.07765	1.5
131.08586	14.7
133.10114	6.9
134.09660	3.6
135.08073	3.2
135.11639	1.8
136.11250	2.9
142.07794	3.6
143.08588	8.0
144.09340	1.3
145.04962	8.2
145.09039	2.0
145.10135	15.8
146.09702	1.4
147.04419	23.8
147.08076	2.8
147.10655	1.4
147.11620	5.4
148.11241	3.9
149.09641	2.8
154.08694	2.0
155.08536	1.4
156.09351	1.9
157.10146	11.3
159.08031	1.7
159.11720	3.6
160.11157	1.2
162.12810	3.5
163.11189	3.8
165.09123	5.8
166.08672	1.6
167.08476	1.1
168.08908	1.9
168.10239	28.1
169.10185	3.6
171.11697	6.5
173.09662	1.4
173.13286	4.5
175.11224	2.8
178.08670	6.8
181.10164	1.9
181.12265	1.8
182.10947	1.6
183.11691	5.1
185.13263	4.2
187.14882	1.2
188.14568	1.3
190.15923	2.4
192.10222	1.7
193.10188	1.4
194.11743	4.4
195.11711	3.4
197.08113	2.4
197.13307	4.0
199.14909	3.1
203.14397	2.8
206.11855	2.3
207.11853	1.1
208.12306	1.3
209.13356	1.7
211.14810	1.2
215.09164	42.6
215.14388	3.1
221.15375	18.7
223.14871	3.0
225.16391	1.6
226.15900	1.5
233.10222	49.9
234.14937	3.0
239.11148	1.4
256.13641	1.0
265.19638	3.3
274.42892	1.0
281.19165	1.3
283.06119	2.9
299.20041	2.6
301.21732	1.8
304.34631	1.1
340.18970	1.2
367.08136	1.3
370.27444	6.1
379.13846	2.1
396.25525	3.2
414.26431	100.0
435.52084	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
60.77580	0.4
61.02909	0.5
67.56274	0.3
69.03428	1.3
69.48880	2.2
70.06602	2.1
71.04991	1.5
72.08144	0.3
78.77529	0.4
81.03408	0.4
85.02916	2.8
88.07644	5.2
91.05474	3.2
97.02908	1.0
98.20782	0.8
106.08680	7.8
109.02851	0.4
119.04955	13.5
127.03938	0.8
135.04437	0.4
147.04422	100.0
148.04758	0.8
163.03957	3.5
234.11275	3.2
235.09673	0.4
252.12338	38.6
414.17938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25972	0.4
53.03942	0.6
55.01854	0.4
56.05033	2.6
57.03417	1.0
58.46156	0.4
61.02906	1.5
68.05016	0.4
69.03435	3.7
69.40248	3.2
70.06571	1.8
71.04980	1.2
73.02927	0.8
74.02456	1.9
81.03397	1.8
82.06573	2.1
84.08120	0.9
85.02451	0.6
85.02918	9.6
87.04449	0.8
88.07616	1.5
91.03943	0.6
91.05492	2.6
97.02902	4.2
99.04461	0.6
105.07043	0.6
106.08675	7.7
107.04950	0.6
109.02851	1.5
109.06540	1.0
117.03339	0.7
117.06985	1.2
119.04955	7.5
120.06613	0.5
121.06453	0.9
124.07619	5.0
125.05978	0.9
127.03876	1.7
128.07085	3.2
135.04424	0.8
135.08034	1.8
136.06201	8.0
137.05925	17.9
145.02856	1.1
145.04938	0.6
145.06497	0.4
145.10091	1.2
147.04419	41.5
147.08015	0.8
148.04826	0.4
149.05977	1.2
151.07462	0.4
157.17352	0.4
158.07272	1.1
161.06015	0.6
161.09680	1.9
161.10910	0.4
162.04121	4.7
163.03859	9.0
163.07544	10.0
164.10768	0.6
173.08260	0.7
173.09656	6.7
177.05507	1.1
179.10669	1.5
188.10692	0.8
189.09106	5.0
190.12242	2.5
191.10712	2.3
206.11778	19.7
207.10156	0.5
217.08655	0.8
234.11218	1.8
235.09673	1.9
252.12326	100.0
253.12636	1.2
268.13992	0.5
276.33142	0.4
281.10016	1.3
282.10266	3.9
414.17606	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	413.3783
Annotation	Adiantone
Peak:m/z	Relative Intensity
55.05503	2.8
57.07072	3.7
67.05500	5.0
69.07072	7.4
71.01625	2.0
71.01963	2.5
71.08640	2.0
75.13927	1.3
79.05499	10.1
81.07065	10.9
83.05003	6.7
83.08596	2.0
85.10173	1.9
91.05454	3.6
93.07049	4.4
95.04967	1.6
95.08620	11.8
97.06541	90.1
97.10184	2.9
98.20783	1.6
105.07017	3.8
107.08583	5.7
109.06532	100.0
109.10163	5.0
119.08602	2.4
121.06490	2.6
121.10143	4.6
123.08087	11.6
123.11652	2.4
131.08551	1.3
133.10123	2.6
135.11681	2.3
137.13232	1.2
145.10178	3.2
147.11685	2.3
148.50917	1.3
149.13223	1.8
159.11613	2.7
163.11259	2.3
173.13316	2.4
179.95537	1.2
187.14729	1.6
213.16469	2.0
227.17844	1.4
271.81110	1.4
395.36877	6.6
413.32956	3.6
413.37836	84.7
414.62756	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82880	0.3
53.03936	0.3
55.01858	0.9
57.03428	0.5
58.06578	0.6
61.02908	1.1
69.03438	3.3
69.40590	0.2
69.70187	1.5
73.02910	0.5
78.40260	0.3
81.03432	1.4
82.06564	0.5
84.08141	1.5
85.02914	5.3
87.04462	0.4
88.03500	0.4
88.03999	6.3
90.43171	0.2
91.05482	0.3
93.03416	0.6
97.02909	2.6
98.21509	0.3
99.04460	0.5
105.51555	0.2
109.02840	1.1
111.77500	0.3
112.11521	0.2
117.07021	0.4
121.02882	4.4
121.06527	1.8
124.07607	2.1
127.03928	1.4
128.07092	2.7
130.66541	0.2
131.08589	0.4
137.05992	10.1
145.04953	0.5
147.08063	1.5
149.05978	2.0
151.07578	2.1
153.05469	2.2
159.08052	2.0
161.05997	7.0
165.09106	0.5
170.33208	0.3
175.07571	4.5
177.09148	4.1
190.12320	1.1
203.07063	4.2
206.11786	12.9
221.08124	2.9
252.12338	100.0
253.12671	1.3
277.62997	0.3
414.17639	12.0
415.18228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2688
Annotation	Robustol
Peak:m/z	Relative Intensity
55.05510	13.4
55.09989	5.3
56.99104	4.9
59.13047	4.8
67.05502	24.7
69.07062	14.3
70.06593	8.7
70.09739	22.0
79.05495	30.8
81.07063	100.0
91.05490	28.3
92.57266	5.2
93.07040	40.9
95.08620	25.3
97.06526	5.3
98.20943	10.5
98.21486	5.9
105.07034	38.4
107.08597	38.1
109.06547	30.6
109.10162	22.3
115.05445	9.7
117.06995	13.0
119.08573	35.0
121.06573	7.7
121.10139	14.2
123.11698	8.4
131.08569	16.1
133.10126	29.6
135.04405	6.1
135.08034	11.5
135.11708	20.3
143.08577	9.9
145.06435	5.9
145.10114	14.8
147.08005	7.5
147.11674	19.5
149.09644	22.1
157.10153	12.3
159.08063	9.0
159.11691	9.2
160.07581	16.2
161.09619	20.0
161.13284	8.7
163.11125	7.6
167.07063	45.2
169.10117	6.1
171.08055	8.8
171.11743	10.9
173.13345	8.0
175.07677	7.0
179.08630	7.2
183.07999	6.1
185.09586	6.7
187.07562	6.6
190.61366	5.2
193.08537	11.6
193.12181	7.4
197.09718	9.2
207.10167	19.6
219.10110	6.3
231.10181	10.5
260.58621	5.3
287.05576	10.6
315.04929	9.2
327.48676	5.2
395.25912	22.7
413.12427	36.8
413.26804	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2074
Annotation	Berbidine
Peak:m/z	Relative Intensity
51.92224	0.3
53.03956	0.3
56.05045	0.5
58.06606	100.0
66.92157	0.3
67.00177	0.3
69.03444	0.5
69.94455	1.6
70.06618	0.9
77.56831	0.3
78.04728	0.4
79.05509	0.4
85.02970	0.4
91.05511	0.5
91.28394	0.3
93.07073	0.4
95.05002	0.7
95.08576	0.3
97.02915	0.4
98.20803	0.6
101.62457	0.3
103.05505	0.5
105.07041	0.5
107.04989	1.2
119.08552	0.3
121.06508	0.6
123.04476	1.1
124.05276	0.4
127.03849	0.4
127.91567	0.4
128.07079	1.9
129.07443	0.4
130.06549	2.3
132.08122	1.7
145.06549	0.4
146.06059	1.8
147.04457	0.5
151.03918	0.6
156.08174	1.2
158.06015	3.0
158.09717	1.5
159.08089	0.4
160.07590	4.3
161.06009	0.3
167.07063	14.6
170.06096	0.9
172.07663	1.3
174.09140	0.6
177.05560	0.4
179.07025	0.4
183.06779	1.1
184.07597	2.3
186.09148	3.2
188.07120	0.7
191.07182	0.9
196.07629	1.3
207.06641	0.7
214.08746	0.5
264.10379	0.3
310.14505	0.7
316.47528	0.4
319.76553	0.4
322.11148	0.4
324.12772	0.5
335.11700	0.5
338.13968	0.7
350.14041	0.8
363.02069	0.4
368.14969	19.4
413.20889	17.1
414.21301	0.5
436.63049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2148
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
52.26083	0.4
53.03938	0.6
55.05520	0.8
57.12103	0.5
69.03430	1.7
69.07072	1.0
70.06595	2.1
71.04974	0.9
72.08161	0.5
79.05499	0.8
81.03426	0.7
81.07049	1.1
83.04970	0.6
84.08159	0.6
85.02901	1.3
86.09705	0.7
91.05511	1.0
93.07039	1.2
95.05014	0.8
96.87439	0.5
97.02912	8.2
97.06525	1.3
99.04469	0.5
105.07038	2.0
107.04845	0.6
107.52348	0.5
109.02891	0.7
109.06509	0.9
109.11481	0.5
119.08547	0.5
121.06518	1.1
125.05988	0.8
127.03919	1.2
131.08588	0.5
133.10159	1.1
135.08038	0.7
135.11726	0.5
137.05971	0.6
143.07004	0.6
145.10138	1.9
159.68486	0.5
163.11241	1.1
173.09622	1.4
187.11215	1.8
191.10838	0.6
197.26917	0.5
205.12257	1.4
207.86024	0.6
215.10744	1.3
226.79701	0.6
233.11693	1.3
233.15352	0.6
251.12599	0.6
291.78940	0.6
395.20364	8.7
413.21494	100.0
414.21771	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	413.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32391	3.8
53.71488	3.4
55.05506	3.8
59.04988	4.1
62.92582	3.5
67.05498	8.2
69.07081	39.7
71.04974	4.0
71.52190	6.3
71.52547	4.2
79.05496	5.0
81.03403	4.1
81.07088	4.5
82.33105	3.3
83.04977	7.0
91.05444	9.0
93.07016	7.4
95.08572	3.7
97.23618	3.5
103.05486	6.0
105.07003	9.3
115.05450	5.5
122.03612	3.9
123.03588	4.6
123.04436	69.2
129.06952	4.1
131.04895	11.8
131.08543	3.8
137.02353	12.2
137.05981	100.0
145.06503	4.9
147.04366	3.8
149.06003	10.3
151.03906	7.1
151.07513	17.2
155.04984	3.8
161.05977	14.0
163.07495	7.0
165.05476	6.8
171.08011	7.7
173.05939	13.9
175.07529	25.3
177.09142	9.2
187.07549	20.3
189.07440	3.7
189.09142	16.5
191.10733	7.8
197.05957	4.8
199.07568	8.6
201.09100	4.8
203.06958	9.3
203.08656	6.2
203.10648	6.3
205.08643	5.0
205.12244	11.4
207.10184	13.1
211.07506	6.8
213.05409	10.5
219.08043	4.8
226.06319	7.8
227.07065	4.9
231.08020	6.5
235.07512	4.3
241.04977	6.4
241.08525	10.3
241.12245	6.8
249.08971	12.1
255.06497	13.0
255.13847	8.3
256.07291	31.3
257.08081	25.0
261.09109	5.2
263.07288	5.2
265.08456	5.8
268.07324	11.5
269.08038	28.5
277.08661	20.5
279.10138	4.8
281.08228	6.9
281.11575	4.4
291.10129	12.0
293.07901	5.6
294.08728	5.7
295.09570	9.3
297.11099	5.1
308.10208	5.0
309.11224	61.1
321.11215	17.7
324.13571	42.7
325.14288	6.3
327.12274	23.8
339.12457	6.9
347.16290	4.2
365.17664	6.3
377.17508	24.0
383.18512	6.0
395.18524	52.6
413.14670	21.3
413.20438	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	413.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.0
59.05000	4.2
66.41211	1.9
67.05499	2.1
69.07067	9.8
69.86746	8.3
77.03947	1.9
77.27616	1.8
79.05480	2.7
81.07082	2.3
87.28078	1.7
91.05477	4.5
98.20799	1.7
103.05460	3.6
103.72855	2.0
109.10125	2.5
115.05461	4.3
117.07027	4.4
119.08501	2.5
122.03640	3.3
123.04434	100.0
126.02001	1.8
128.06241	4.4
129.07002	5.7
131.04922	14.4
131.08559	3.1
135.04446	3.4
137.02321	8.0
137.05980	32.5
143.08565	5.3
145.06482	7.9
145.10135	3.6
147.04379	2.1
148.05092	2.3
149.05969	8.0
151.03879	5.1
151.07545	12.9
157.06508	8.5
159.08070	3.2
160.05280	1.9
160.70384	2.2
161.06017	14.3
163.03923	2.5
163.07570	12.7
165.05519	10.8
171.08080	2.7
173.05989	8.3
173.09573	2.7
175.07542	14.9
177.05452	3.3
177.09097	6.5
179.07076	2.5
179.08533	2.8
181.06493	3.1
187.07559	8.3
189.09106	7.7
191.07083	2.4
197.05920	2.1
199.07558	7.6
201.09167	5.7
203.10663	7.5
205.12253	15.0
211.07565	2.2
211.11125	2.4
213.09135	3.2
215.10660	2.6
217.08568	5.0
219.13799	2.2
221.11754	4.5
223.11098	2.4
225.09068	2.7
226.06232	2.2
231.13675	2.5
241.08531	5.7
241.12120	3.4
243.13939	2.2
248.08401	3.1
249.09167	3.9
251.07018	2.4
255.13762	10.4
256.07053	2.3
260.08298	2.6
261.09259	3.7
263.07104	4.6
263.10495	2.1
268.07236	4.7
269.08066	19.1
273.14948	3.0
276.12247	3.2
277.08749	4.9
277.12518	3.8
278.09302	4.4
281.08136	5.0
285.14825	4.1
289.08679	3.3
291.10077	3.4
293.08270	4.3
293.11496	3.6
303.10248	2.6
306.08878	2.9
307.09412	2.5
308.10623	2.5
309.11240	13.4
311.12799	2.8
315.04520	2.0
321.11197	10.5
324.13574	22.0
325.14423	4.1
337.14441	3.6
339.12350	8.3
353.17471	2.2
365.17355	8.6
377.17456	17.1
383.18588	5.5
395.18524	62.0
413.19604	34.4
413.27377	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	413.1811
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
55.01872	0.9
61.02943	0.7
67.05515	1.0
69.03439	1.4
69.07051	0.8
70.06589	2.9
70.23439	1.1
70.23815	1.2
72.08173	1.0
73.02926	12.9
79.05506	0.9
81.03416	1.3
84.08141	2.0
85.02927	6.9
85.06538	1.6
86.09720	4.6
91.05501	1.3
93.07051	0.8
97.02895	6.2
97.06516	1.1
98.21432	0.8
105.07053	1.1
107.04968	13.7
107.08556	0.8
116.07098	1.3
119.04967	4.6
121.06554	0.9
127.03874	1.2
129.06996	0.7
129.10298	0.9
131.08629	3.6
133.02856	3.0
135.08099	1.0
144.05740	1.3
145.04962	1.1
145.06566	0.7
145.10124	1.8
147.04367	1.0
149.06023	0.9
159.08086	2.2
159.11821	0.9
161.06023	1.5
161.09650	16.6
166.64406	0.8
169.06497	1.1
169.10144	1.0
179.10713	6.8
185.12947	1.1
187.07549	17.2
187.11163	2.6
203.10706	1.9
205.08635	24.9
205.12199	1.1
207.03136	0.7
215.10660	3.6
233.11755	10.7
251.12814	100.0
252.13095	2.3
296.08392	0.7
299.05533	1.3
332.73755	0.7
413.17264	1.0
413.21628	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	413.196
Annotation	Cedmiline
Peak:m/z	Relative Intensity
55.01887	1.7
59.04987	3.9
69.07058	7.2
69.52106	9.5
72.47041	1.8
89.55330	1.5
91.05500	1.9
95.04978	1.9
103.05450	3.8
105.03398	1.9
105.06974	2.9
107.04971	2.1
115.05492	2.7
117.07045	4.3
122.03651	3.3
123.04443	100.0
128.06245	2.7
129.06995	5.0
131.04958	15.8
135.04424	1.6
137.02452	7.4
137.03345	2.1
137.05989	47.6
143.04903	2.9
143.08566	2.9
145.06532	8.2
145.07520	1.8
147.04471	2.1
148.05200	2.6
149.06003	6.8
151.03897	6.3
151.07538	16.4
157.06514	5.4
158.07240	2.2
159.08064	2.6
160.05141	1.9
160.43309	1.8
161.06010	12.0
163.07562	14.9
165.05533	13.1
169.06544	1.9
171.08038	2.6
173.05952	5.1
174.06789	2.1
175.07562	17.7
177.09128	7.6
187.07582	6.2
188.08292	2.1
189.09071	5.9
191.06989	5.5
191.10646	4.6
197.09700	1.8
199.07581	3.9
201.09085	3.0
203.10727	8.4
205.12279	13.4
207.10063	2.0
209.09575	1.7
211.07567	3.0
217.08565	2.0
221.11682	10.0
223.11127	1.8
229.12120	2.7
231.07939	2.1
241.08760	1.8
243.13744	3.0
249.09050	2.3
255.13806	6.6
261.09192	2.3
263.07166	2.1
268.07358	3.1
269.08124	8.8
277.08624	2.4
280.44312	1.9
281.08099	3.9
285.14859	2.6
291.10226	2.8
293.11444	1.8
294.08765	2.1
307.09509	2.7
309.11203	7.1
311.12598	1.6
321.11130	6.5
324.13562	13.6
325.14310	2.4
334.11874	2.0
337.14407	2.9
339.12219	4.5
365.17346	5.5
377.17609	11.2
383.18494	4.2
385.65295	1.7
395.18576	37.4
413.19571	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05014	1.1
69.07052	0.8
70.06597	7.8
70.80289	0.7
70.80661	0.7
79.05494	0.7
80.05009	0.5
81.07050	2.4
82.06585	0.5
94.06625	0.3
95.08598	0.7
102.04665	0.4
103.05466	2.4
105.07027	0.8
106.06563	1.3
107.07336	0.6
108.08094	0.5
114.05523	1.3
115.05439	0.8
116.07111	5.4
117.07021	0.5
130.04185	0.9
131.04930	14.7
133.06474	0.8
137.05988	7.3
143.04878	1.1
145.06491	0.8
146.03635	3.1
147.04384	1.9
148.05197	1.1
152.07031	0.6
161.04663	0.7
161.05991	13.9
162.06747	1.4
163.07535	2.7
170.09785	0.4
175.07555	2.9
179.07066	0.5
188.07088	1.1
188.10722	1.3
189.07805	0.4
192.57751	0.4
198.09180	1.0
202.08652	1.3
215.09427	0.6
216.10199	4.0
217.10986	1.7
221.08101	0.8
230.11711	1.9
231.12589	0.9
258.11267	0.5
259.99933	0.4
261.09903	1.5
276.12323	100.0
277.12704	1.4
412.24927	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.142
Annotation	t(6)a
Peak:m/z	Relative Intensity
56.05032	0.9
57.03425	0.3
69.03411	0.5
70.06607	1.6
71.19289	0.5
72.08147	0.4
74.06081	2.3
84.04490	0.4
84.08141	1.1
85.02898	0.9
86.09695	0.8
87.04448	0.3
95.35428	0.3
102.05550	1.3
111.91843	0.3
115.24247	0.3
119.03559	2.8
120.06589	8.2
129.10211	0.4
135.04422	0.3
136.06197	100.0
137.04582	1.5
137.05876	0.3
162.04126	63.2
163.03931	1.4
173.09492	0.3
189.09117	0.3
194.64232	0.3
268.10425	0.8
281.09946	56.4
282.10318	0.3
294.08466	0.3
348.83868	0.3
376.85828	0.3
413.14133	0.6
413.19733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
55.09016	0.3
57.07070	0.8
58.06561	0.3
67.05485	0.5
68.05039	1.6
69.07055	0.9
70.06595	8.5
71.08637	0.4
71.52163	0.4
72.08162	5.0
79.05487	0.9
80.05028	0.4
81.07056	4.0
82.06586	0.6
84.08124	0.5
91.05479	0.8
95.08604	1.1
103.05482	2.9
105.07059	0.8
106.06550	1.4
107.07324	0.7
108.08119	0.8
114.05556	1.7
115.05437	0.8
116.07101	4.4
117.07048	0.8
125.05950	0.3
127.00637	0.3
129.06993	0.3
130.04161	0.9
131.04936	12.7
131.40086	0.3
133.06502	0.6
135.04462	0.9
137.05995	9.5
138.06313	0.4
140.07091	0.6
143.04919	0.8
145.06526	0.7
145.10139	0.5
146.03606	2.7
147.04404	1.6
148.05182	0.9
149.05988	0.5
152.07027	0.9
157.06650	0.4
160.05228	0.7
161.05983	13.3
162.06683	0.9
163.07550	2.8
171.08022	0.4
175.07555	3.1
177.08978	0.4
179.06897	0.5
187.07529	0.4
188.07088	1.0
188.10693	0.9
189.07802	0.5
189.09302	0.5
198.09236	0.4
202.08714	0.9
203.09364	0.4
215.07193	0.4
215.09370	0.4
216.10211	3.7
217.10898	1.8
221.08125	0.5
230.11774	2.4
231.12584	1.0
251.12674	0.3
258.11319	0.5
260.09259	0.5
261.09863	2.0
276.12326	100.0
277.12698	0.9
324.32620	5.4
341.34869	0.4
380.25595	0.4
384.04977	0.4
395.39969	3.1
412.24973	0.9
412.42657	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	412.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65731	1.6
55.01878	2.5
55.05512	2.2
57.03444	24.0
59.04990	4.2
60.04514	1.8
61.02933	4.7
61.09613	1.3
69.03436	73.5
69.07030	2.3
69.34972	11.4
69.35380	3.3
70.06588	2.0
71.04994	5.7
72.08156	5.2
73.02924	2.4
74.48008	1.4
75.04504	2.1
76.11404	1.6
81.03417	5.3
82.06593	10.1
83.08627	4.2
84.08173	1.9
85.02913	75.3
87.04478	46.3
91.03935	2.0
97.02902	63.9
99.04464	4.0
99.08103	2.1
100.07616	3.3
103.03960	1.8
106.26959	1.7
109.02883	4.9
111.08073	3.6
115.03938	87.4
121.96304	1.7
127.03926	15.7
128.07091	57.3
133.04980	100.0
135.08076	2.5
139.07591	1.8
141.09097	2.1
142.08653	7.4
143.90263	1.5
145.04977	27.2
150.07616	12.3
163.06059	9.8
167.10713	5.8
169.05008	2.3
176.07268	1.5
188.09134	4.9
209.11688	1.7
215.12807	1.5
227.13000	1.8
241.07071	2.4
250.01672	1.7
259.08124	6.3
263.14917	3.5
277.09091	3.3
290.16873	1.7
295.10333	3.7
342.35690	1.7
412.23782	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
56.05027	0.8
57.69062	0.7
67.05471	1.5
69.03429	2.5
70.06599	10.0
71.05000	1.3
71.51731	0.8
72.08141	2.3
81.03393	1.2
82.06570	3.2
84.04471	1.4
84.08149	100.0
84.25484	0.7
85.02917	6.2
86.09708	2.8
87.07223	0.7
91.05487	3.5
93.07044	5.4
95.04987	1.7
97.02914	1.7
99.04499	1.1
103.05469	2.4
109.06493	0.9
110.07169	1.9
112.07595	1.3
121.02868	0.9
121.06509	23.7
124.07599	1.1
127.03915	2.2
128.07076	6.5
129.10219	1.1
130.08650	38.4
136.06215	4.0
136.07524	1.1
137.05969	0.8
142.06284	0.9
147.04442	1.6
162.04152	2.4
163.03911	2.3
174.07707	1.5
186.68040	0.8
210.11279	1.0
228.12415	0.9
238.10753	1.5
256.11810	7.4
266.13284	0.9
274.12891	10.6
281.10019	2.3
357.34976	0.7
401.44070	0.9
412.19727	47.8
413.20187	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42484	2.2
53.03944	3.3
55.05514	20.5
57.03428	3.7
57.07074	2.9
67.05503	31.8
69.07072	24.1
69.63753	12.9
71.05011	3.2
79.05074	3.1
79.05489	26.5
81.07059	78.2
83.04977	5.5
83.08624	16.1
85.06534	9.4
91.05490	27.1
93.07059	34.6
95.04990	3.5
95.08611	93.6
97.06541	14.4
97.10185	8.6
98.20809	4.6
99.08075	9.8
105.07030	55.1
106.07384	6.4
107.08601	14.5
109.06532	5.5
109.10167	10.1
111.08075	6.3
113.09650	4.1
117.07008	2.6
119.08595	44.8
121.10131	16.5
121.29437	2.4
122.09679	8.4
123.08078	7.7
123.09999	3.1
123.11742	2.9
133.10152	32.0
135.11726	18.8
137.05983	5.6
137.09595	4.6
137.13277	15.7
145.10146	3.6
147.11673	2.3
149.09650	3.8
161.13264	100.0
165.12781	5.2
166.13138	3.7
179.14320	83.0
197.15419	9.3
285.78561	2.3
310.77271	2.2
357.27896	5.5
375.28906	9.2
406.08148	2.4
411.14108	3.9
411.30988	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	411.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.5
56.51029	2.0
67.05518	4.7
69.07083	6.9
70.64001	6.0
72.08135	2.6
79.05503	3.6
81.03428	3.2
81.07038	6.5
91.05486	4.5
93.07040	5.7
94.04169	3.0
103.05450	2.9
105.07023	2.7
109.06551	3.0
117.06976	2.9
119.05001	4.1
122.03655	3.0
128.06204	2.4
129.07024	8.0
131.04974	3.8
131.08598	6.6
137.02400	4.8
137.05997	100.0
149.05986	13.9
151.07539	9.6
157.06471	6.2
158.07330	5.7
159.08018	4.7
161.05972	3.2
163.07579	6.6
167.07304	3.2
174.06821	16.4
177.09160	2.7
179.07048	2.4
187.11324	2.8
189.09131	58.6
201.09090	27.6
205.12254	26.1
219.08090	2.8
219.10155	4.3
219.13925	2.9
231.13739	2.8
233.09509	2.7
240.07840	7.4
252.07957	3.2
257.15515	3.8
268.07364	5.8
283.09808	24.0
293.11432	3.2
295.09738	11.7
307.09698	3.9
307.75610	2.7
325.14395	16.2
337.14346	16.0
338.15091	5.4
343.15338	3.1
351.15866	19.8
355.15527	16.6
393.20581	22.7
411.17825	2.6
411.26843	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	411.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26555	1.4
53.03960	2.2
54.96131	1.4
56.96550	2.2
69.07094	8.1
70.06587	1.5
70.09733	3.1
70.10120	5.3
70.71302	1.5
76.39656	1.5
79.05496	4.4
81.07065	3.0
84.96040	9.1
89.31833	1.3
91.05470	6.6
93.03404	1.8
93.07040	2.3
95.04978	2.0
98.20821	2.1
102.97055	1.6
103.05477	4.3
105.07011	2.8
107.04935	3.3
109.06528	3.3
111.04454	2.7
117.07009	2.5
119.04939	3.3
119.08511	1.4
122.03649	5.0
127.00690	5.8
128.06235	2.3
129.06982	10.9
131.04927	5.7
131.08563	9.1
135.04437	27.9
136.04706	2.1
137.05986	100.0
141.07085	1.8
145.06511	3.1
145.10059	2.5
146.07324	3.1
148.04793	1.4
149.05983	7.1
150.17921	2.0
151.03915	4.1
151.07556	21.7
153.05450	6.5
157.06534	8.2
158.07272	5.0
159.08092	7.1
161.06009	4.2
163.07481	3.9
165.09094	2.3
167.07053	3.3
174.06789	24.4
175.07497	3.1
175.17218	1.5
177.09106	5.3
186.06795	2.3
187.07570	3.0
189.09123	80.4
190.09508	2.2
191.10623	5.0
201.09114	28.6
203.10660	2.2
205.12239	9.3
219.10201	4.0
233.09662	3.5
240.07790	3.9
246.57811	1.7
255.10234	2.3
257.15308	3.4
261.09097	4.5
265.12451	2.4
268.07370	2.6
270.08847	1.6
276.12216	3.1
277.08383	2.0
278.09662	2.2
279.10120	1.8
282.44681	1.5
283.09641	15.6
289.03799	2.9
291.10336	1.8
293.08841	1.9
293.11774	8.0
295.09592	6.2
298.63712	1.6
305.06662	1.8
305.11667	1.9
307.09647	1.8
310.12027	2.3
323.13025	1.6
325.14371	18.8
337.14331	6.8
338.15024	1.9
343.15408	12.3
351.15872	8.1
355.15408	10.8
365.88062	1.8
393.20505	12.0
411.21677	2.0
411.26791	2.5
438.15463	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
56.62220	0.3
57.33825	0.2
67.05503	0.4
69.07075	3.9
70.03578	1.1
70.06590	0.2
75.57327	0.2
79.05511	0.4
79.12333	0.2
81.03421	0.4
81.07059	0.6
88.41201	0.2
91.05495	0.6
93.03465	0.3
94.04192	2.0
94.66362	0.3
95.04960	0.2
98.20870	0.3
103.52631	0.2
104.25697	0.2
105.07034	0.5
107.04955	0.9
115.05471	1.8
117.07021	0.8
122.03662	5.1
123.04445	8.2
133.06557	0.4
133.10075	0.2
135.04417	1.0
136.05238	0.6
137.02385	11.8
137.05986	100.0
138.06325	0.9
143.04936	4.8
145.06488	0.3
151.03931	1.8
151.19594	0.2
161.05994	4.0
175.07629	0.3
177.05498	0.5
189.05490	3.1
189.35529	0.3
191.07063	2.5
205.08603	0.3
246.41000	0.3
247.07724	0.3
307.09811	0.4
312.09723	0.2
313.10733	11.7
325.10797	0.5
342.11194	0.5
343.11746	7.6
381.12024	0.4
381.16956	7.7
411.18051	11.6
416.96527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07104	1.7
59.04993	5.0
67.05489	2.7
69.07071	14.9
69.25325	4.5
69.25732	9.5
78.16813	1.9
79.05492	4.7
83.04985	3.8
91.05512	2.8
93.07001	2.0
95.04988	1.8
98.21532	3.2
103.05504	2.9
105.03398	3.1
105.07053	3.5
106.44412	1.9
107.04932	1.6
115.05473	2.0
123.04443	14.7
128.06238	2.1
129.06985	5.5
131.04958	4.6
131.08589	2.3
135.04424	100.0
135.99260	1.6
137.06000	14.9
143.08574	1.9
145.06500	5.5
147.04480	2.2
149.02350	9.4
149.06006	14.5
151.03925	6.4
157.06499	5.5
159.08015	2.3
161.05997	9.1
163.04025	2.7
163.07550	4.7
165.05450	2.1
173.06001	19.8
174.06821	2.1
175.07529	6.4
185.06007	6.9
186.78542	1.9
187.07565	7.2
189.09126	6.5
191.10626	4.2
201.09087	1.8
203.07019	4.8
203.08669	2.3
205.08646	5.4
207.10159	4.7
215.07007	2.3
225.05484	2.1
231.08101	1.9
233.09613	2.7
234.06575	1.8
238.06221	4.2
241.12234	8.1
251.07094	2.2
253.04929	2.6
254.05775	4.0
255.06549	5.2
261.09119	3.6
265.08676	3.0
266.05756	4.2
267.06552	8.9
271.13449	4.1
277.08676	3.8
289.08676	5.9
292.07394	2.4
295.09592	2.9
306.08774	2.5
307.09805	13.8
319.09677	8.8
322.12009	11.0
325.10809	5.9
335.12714	3.7
337.10663	5.2
363.16034	4.7
375.15891	12.5
381.16998	4.0
393.16922	24.9
411.18033	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11834	3.5
51.52452	3.8
59.04980	4.9
63.67940	3.3
67.05492	6.3
69.07051	14.6
69.48584	21.2
69.48997	8.0
69.70396	3.9
79.05499	5.8
81.07024	5.4
81.16805	4.0
83.08641	3.4
88.11309	6.2
89.46103	3.5
91.05477	4.3
93.07021	9.5
98.20697	3.7
106.59255	3.6
107.08620	5.1
119.08574	4.3
121.40942	3.9
121.59278	4.0
123.04398	14.0
131.04930	9.6
131.08591	7.6
135.03407	7.5
135.04419	100.0
137.05983	12.6
145.92917	3.7
147.64236	4.3
149.02354	8.5
149.05972	11.8
151.03937	7.3
155.45319	3.8
157.06403	7.1
161.06004	5.4
163.07524	4.7
173.05981	17.7
173.37671	3.9
175.07620	7.3
185.05943	6.8
187.07616	8.1
189.09047	6.7
191.10706	9.3
203.06967	5.7
203.08656	6.2
205.08636	7.6
207.10123	5.8
219.09909	4.2
241.12172	7.4
249.09135	5.9
261.09039	5.3
261.14954	4.2
266.05640	5.6
267.06467	8.5
277.08539	6.2
289.08646	9.2
306.08847	4.7
307.09399	17.0
319.09595	8.8
322.11902	13.6
325.10751	7.2
363.15784	5.8
375.15860	13.7
393.16888	31.4
411.18115	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.0
53.61390	0.9
55.01878	1.7
56.96568	1.6
57.03431	3.9
58.06602	2.1
59.05057	1.0
61.02935	4.5
69.03439	15.2
69.27048	6.8
69.27457	1.5
70.06600	1.2
71.04994	2.0
73.02921	2.5
81.03441	6.1
85.02911	30.2
87.04480	2.8
91.03962	1.9
97.02904	12.8
98.97600	2.4
99.04436	1.7
109.02874	5.3
117.87342	0.9
123.86553	1.0
127.03912	6.0
129.07086	1.4
131.08545	1.1
132.08116	2.8
133.05252	1.5
135.44473	1.2
145.04973	3.5
146.06023	8.9
156.08116	3.4
157.08916	0.9
158.09647	1.9
159.06828	3.6
159.08038	1.8
160.07599	66.3
161.07878	1.0
168.08131	1.8
170.06029	1.6
171.06786	6.2
172.07555	6.7
173.08455	1.0
174.07787	1.5
174.09175	11.2
175.11931	0.9
184.07597	20.2
185.08356	2.8
186.09167	51.4
187.09557	1.1
188.07109	1.4
189.92909	1.0
196.07593	7.3
200.07158	1.4
200.09473	4.9
201.10255	7.0
202.08653	72.6
213.10248	11.3
214.08646	93.1
215.08965	2.3
219.01701	1.2
219.11354	1.3
220.09750	3.5
231.11293	32.1
232.09677	7.3
232.11655	1.1
237.02945	1.5
245.05009	1.0
249.12375	89.6
250.12813	1.4
280.86636	1.0
364.13983	3.3
374.77811	1.1
393.16827	4.5
411.17661	100.0
412.18124	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	410.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01872	1.0
55.05509	2.5
57.03435	1.8
57.07087	3.8
60.72453	0.5
61.02933	1.3
67.05508	4.3
69.03441	5.2
69.07078	5.5
71.05006	2.6
71.08627	4.0
71.53088	0.6
71.60841	0.5
79.05140	0.6
79.05507	7.1
81.03390	0.9
81.07069	5.0
83.04997	4.2
83.08619	1.8
84.51788	0.5
85.02903	6.7
85.06548	0.9
85.10187	10.9
91.05482	1.3
93.07056	11.2
95.04978	0.8
95.08623	4.8
97.02894	2.4
97.06540	6.4
98.06865	0.8
99.08113	4.9
105.07026	0.6
107.08607	6.2
109.02884	0.7
109.10162	2.9
111.04451	7.6
111.08064	1.6
113.09656	17.9
113.10440	1.0
117.07015	0.6
119.08617	0.8
120.08105	0.7
121.06554	0.6
121.10120	1.1
125.05988	1.9
125.73750	0.5
127.11192	0.9
129.05507	8.6
133.10136	1.8
135.11703	15.7
139.07552	1.9
145.04910	1.1
149.13274	7.5
149.75058	0.5
151.11195	2.2
153.12764	38.4
159.11679	1.3
167.14319	2.6
171.13846	4.3
173.02319	0.6
174.02724	0.6
177.12758	3.7
180.08722	1.2
195.13831	19.3
200.32368	0.6
213.14876	100.0
214.15178	1.2
216.07423	0.5
231.15924	20.1
231.18245	1.1
236.33939	0.7
248.18539	1.2
258.04926	1.1
259.09634	0.7
260.10040	1.0
264.48758	0.5
410.09836	0.7
410.18845	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	409.3833
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05502	14.9
57.07051	6.9
67.05518	25.6
69.07076	30.0
70.75645	4.6
71.09641	6.6
71.09969	6.0
74.04010	4.0
79.05479	6.3
81.07059	50.9
83.08608	12.6
86.49176	4.4
89.06081	5.4
93.07036	20.8
95.08614	100.0
97.10193	6.8
105.07053	12.2
107.08588	28.7
109.10169	97.5
111.11723	7.9
113.20042	4.8
119.08555	18.0
121.10172	40.1
123.11719	30.9
133.10110	13.6
135.11708	22.9
137.13214	23.7
147.11713	9.4
149.13289	35.7
161.13239	9.6
163.14825	29.3
175.14857	6.9
177.16383	16.1
189.16316	17.0
191.17976	10.7
203.17938	12.6
205.19505	28.8
217.19540	12.3
219.21152	25.0
229.19334	4.5
245.22615	8.7
247.24210	7.6
254.10291	5.0
271.24277	5.2
299.27319	5.3
308.00833	4.8
373.30713	5.6
409.38327	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3834
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03932	2.6
55.05522	13.3
57.07071	9.3
59.20695	2.3
65.26807	2.6
67.05515	24.0
69.06728	4.1
69.07076	50.9
70.81610	4.1
71.08620	5.1
71.99757	2.7
79.05486	10.1
81.07067	88.3
83.08631	19.2
91.05468	7.3
93.07054	21.5
95.08619	92.1
97.10184	8.1
105.07043	20.9
107.08601	34.9
109.10170	54.9
111.11726	7.2
117.07024	2.9
119.08588	26.7
121.10162	34.3
123.11722	32.8
125.13256	2.7
131.08543	6.7
133.10136	23.0
135.11717	22.0
137.13272	26.8
145.10144	11.4
147.11700	17.4
149.13284	25.6
151.14870	4.0
159.11717	9.6
161.13303	16.5
163.14847	12.1
165.16408	2.5
173.13272	14.3
175.14842	11.4
177.16420	13.2
179.17917	3.0
187.14865	9.7
189.16402	7.8
191.17943	7.2
201.16431	5.7
203.18005	9.7
205.19632	4.9
209.40993	2.5
215.15898	2.5
215.17996	7.8
217.19533	6.6
219.21059	3.0
229.19521	10.8
231.21172	13.9
243.21193	2.8
245.22813	5.7
257.04425	2.8
257.22571	7.2
259.24243	10.3
271.24216	13.1
285.25775	8.3
299.27368	4.3
313.28763	2.8
327.30487	5.4
339.30511	3.2
409.38354	100.0
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
51.02370	2.2
52.56875	1.3
53.03934	6.0
55.01875	2.2
55.05515	20.4
57.07073	11.2
59.04996	1.9
65.03954	2.3
67.05508	31.8
67.12190	1.8
69.03413	6.8
69.07069	27.1
71.04991	1.4
71.41306	1.5
71.52380	1.9
77.03929	1.9
79.05071	2.3
79.05492	27.5
81.07059	76.8
83.04975	4.0
83.08627	9.0
84.95435	1.5
85.06538	4.1
88.68362	1.4
91.05480	38.8
92.05817	1.5
93.07045	63.1
95.04975	43.4
95.08611	67.8
97.06548	9.4
97.10172	4.3
98.16112	1.6
103.05453	4.7
105.04525	3.2
105.07037	100.0
107.08599	46.4
109.06542	11.2
109.10160	52.8
111.11744	3.2
115.05486	2.2
116.06186	1.4
117.07037	13.8
119.04943	2.2
119.08585	69.7
120.09494	1.6
121.06505	20.0
121.10146	42.6
123.08086	20.1
123.11727	19.0
128.06239	6.2
129.07045	9.8
130.07747	4.8
131.08585	22.3
132.09294	1.8
133.06525	3.2
133.10141	29.9
135.08066	11.1
135.11694	16.4
137.05959	4.7
137.09633	8.6
137.13252	11.9
141.07010	4.3
142.07784	12.3
143.08563	18.2
144.09378	2.0
145.06458	2.7
145.10118	42.1
146.10788	1.5
147.08046	13.6
147.11687	41.1
149.09628	9.0
149.13268	14.2
151.07549	23.5
151.14825	3.0
153.07018	1.9
155.08569	8.1
155.10680	2.0
156.09377	5.9
157.10132	21.1
158.07228	2.2
159.08078	5.7
159.11699	21.2
161.09654	9.6
161.13245	12.6
163.11179	5.7
163.14861	7.4
165.09126	23.2
167.08585	4.8
168.09319	3.8
169.10130	12.6
170.10855	2.0
171.11687	10.7
173.09596	4.5
173.13213	11.6
175.11169	19.5
175.12566	2.0
175.14822	5.4
177.09094	4.1
177.16402	6.6
178.09819	2.4
179.08600	1.6
181.10126	6.9
181.12234	3.2
182.10878	2.8
183.11720	13.1
185.09645	2.6
185.13280	6.6
187.11189	4.9
187.14845	5.5
189.12740	7.0
189.16399	6.1
191.14363	2.3
191.17963	7.1
193.10143	3.8
194.10875	1.8
195.11650	5.1
196.12556	3.6
197.09517	2.1
197.13292	2.7
199.11171	3.3
199.14862	3.4
201.12723	8.0
201.16357	5.1
203.14354	14.5
203.18008	6.1
205.19476	3.7
207.13823	7.5
208.12434	1.9
209.13274	4.5
209.15399	4.6
211.14886	7.5
213.12845	3.1
213.16292	1.9
215.14418	2.4
215.17955	2.9
217.19510	5.6
219.13811	4.3
221.13354	2.2
221.15355	62.9
225.12737	1.9
225.16319	1.9
229.04895	1.8
229.15916	5.6
229.19455	3.8
231.13770	3.6
231.21149	2.8
233.13239	2.3
233.15430	4.3
234.16161	10.6
235.14867	2.7
241.19585	2.4
243.21042	3.9
253.16052	2.5
257.04501	5.0
257.15344	1.6
257.22604	4.1
259.24228	2.0
267.17432	1.8
269.19055	2.4
271.24316	3.9
281.19110	2.5
285.25507	3.4
286.19296	4.1
287.19998	10.1
299.27249	1.8
300.20859	3.5
313.28793	1.8
327.29999	2.4
329.21042	6.1
339.30457	2.3
391.26324	7.1
409.09128	4.6
409.27383	59.7
409.38354	39.9
410.27408	2.2
420.31369	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03946	4.7
55.01870	2.9
55.05512	18.2
57.07076	6.7
59.04993	4.5
65.03938	2.6
67.05504	16.0
69.03426	7.0
69.07069	7.2
70.26917	1.3
70.68855	3.3
70.69187	1.4
71.04996	2.7
71.10148	1.2
79.05499	21.2
81.03421	2.9
81.07059	29.8
83.04962	4.6
83.08631	1.6
85.06555	3.6
91.04897	1.8
91.05483	34.7
93.07053	43.7
95.04978	48.9
95.08619	21.8
97.06558	6.8
103.05463	4.3
105.04546	2.4
105.07039	100.0
107.04992	1.8
107.08604	22.2
109.06534	10.9
109.10172	7.1
111.08099	3.0
115.05458	2.7
117.07026	13.2
119.04945	2.0
119.08591	64.2
121.06494	19.7
121.10165	13.9
123.08080	17.7
128.06239	4.0
129.07019	9.0
130.07800	4.4
131.08577	18.8
132.09343	1.9
133.06476	4.0
133.10135	16.3
135.08038	13.1
135.11708	3.3
137.05981	2.0
137.09621	5.8
141.07022	3.5
142.07796	13.0
143.08565	13.5
144.09311	4.3
145.06506	3.8
145.10126	40.3
147.08055	16.6
147.11693	44.2
147.12810	2.8
149.09634	13.2
151.07564	15.2
151.11229	1.5
153.06976	1.7
153.09117	2.7
155.08530	7.0
156.09343	5.7
157.10150	23.4
159.08110	7.2
159.11678	12.9
160.08788	1.9
161.09637	5.6
161.13284	4.7
163.11218	4.6
165.09126	29.5
167.08540	5.2
168.09329	3.3
169.10123	8.4
170.10948	1.5
171.11722	8.4
173.09627	5.9
173.13213	6.9
175.11203	34.1
177.09122	4.4
178.09875	2.9
179.08499	2.7
181.10121	4.1
181.12273	1.6
183.11731	9.0
185.09601	2.5
185.13318	4.3
187.11156	3.2
187.14775	3.3
188.11955	1.5
188.66418	1.5
189.12749	5.9
191.14490	2.3
193.10161	2.6
195.11734	3.5
196.12502	2.8
197.09715	2.0
197.13327	4.0
199.11253	2.9
201.12753	9.2
203.14299	11.7
206.10884	2.0
207.11807	2.8
207.13818	7.3
209.13306	4.6
209.15228	2.6
211.11273	1.7
211.14796	2.9
213.12773	3.2
215.14374	3.1
216.15147	2.0
219.11766	1.8
219.13846	3.7
221.13358	3.4
221.15367	67.3
223.14737	2.6
225.12814	1.8
225.16364	1.5
227.14328	2.4
229.15912	5.2
231.13785	2.5
233.15385	4.5
234.16162	20.2
249.16368	1.9
253.15852	2.5
257.04541	3.0
267.17484	1.6
273.37476	1.7
282.19617	1.8
286.19351	3.2
287.19904	7.4
300.20877	5.5
325.21692	1.4
329.21140	5.7
335.20190	1.6
391.26425	9.0
392.31677	1.6
409.27393	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.7
52.74947	1.5
53.03947	3.3
55.01870	3.4
55.05515	16.7
57.07067	4.8
59.04998	2.3
65.03932	1.8
67.05183	1.6
67.05510	17.4
69.03438	4.7
69.07072	8.0
71.04978	1.5
76.16875	1.3
79.05492	17.4
81.03428	3.0
81.07066	28.8
83.05000	3.7
85.06554	2.5
91.04922	2.4
91.05486	37.6
91.25036	1.4
93.07055	38.4
95.04974	47.5
95.08603	22.2
97.06573	6.8
103.05500	3.3
105.07037	100.0
107.04955	2.1
107.08592	22.0
109.06544	9.2
109.10139	9.3
111.08075	2.6
115.05531	2.1
117.07036	12.1
119.04951	2.8
119.08588	59.7
120.09409	1.6
121.06519	16.4
121.10151	16.0
123.08075	15.2
123.11721	1.3
125.09696	1.6
128.06230	4.1
129.07039	10.0
130.07802	3.6
131.08565	20.6
132.09378	2.5
133.06525	5.5
133.10158	17.6
135.08080	10.4
135.11693	4.0
135.46063	1.3
137.05980	3.0
137.09604	7.6
141.06963	4.1
142.07800	10.2
143.08577	16.6
144.09360	3.7
145.06468	2.5
145.10135	33.0
146.10983	1.5
147.08061	14.6
147.11699	41.7
147.12817	2.9
149.09679	12.0
150.38326	1.4
151.07545	14.0
151.11180	2.1
153.09164	3.0
155.08571	6.5
156.09360	5.6
157.10133	17.3
159.08136	3.6
159.11714	12.7
161.09639	7.5
161.13283	4.9
163.11230	2.6
165.09140	27.3
167.08554	2.1
168.09212	2.5
169.10104	8.8
170.10927	1.7
171.11726	8.3
173.09636	5.0
173.13313	7.1
175.11195	36.7
175.14780	2.1
177.09160	3.9
178.09949	2.1
179.08667	2.3
181.10129	3.5
182.10953	2.4
183.11707	11.1
185.09720	2.3
185.13287	4.4
187.11266	4.5
187.14877	2.9
189.12784	6.0
191.14365	2.4
193.10173	1.9
193.71278	1.5
195.11737	5.7
196.12514	2.4
197.13295	3.6
199.11226	2.8
199.14882	2.0
201.12766	7.8
203.14310	11.1
207.11856	3.2
207.13853	8.2
209.13341	3.8
209.15376	3.7
211.14883	5.3
213.12769	3.7
215.14343	1.8
219.13869	2.2
221.13400	3.1
221.15382	65.7
223.14989	1.9
225.16496	2.6
229.15912	3.7
231.13818	3.1
233.15422	2.3
234.16196	20.4
235.14883	2.2
253.15845	1.8
257.04550	4.7
269.18918	2.1
286.19339	3.9
287.20123	6.7
299.19754	2.1
300.20853	4.7
329.21121	5.7
335.20309	1.7
346.27042	1.5
373.25479	2.1
391.26315	5.3
409.09186	2.6
409.27405	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2013
Annotation	Emericellin
Peak:m/z	Relative Intensity
54.29363	1.6
55.05502	1.9
56.24260	1.5
58.06611	1.9
69.06728	2.2
69.07075	29.2
69.20528	5.4
69.20946	10.6
71.05000	1.7
79.05470	2.1
81.07056	4.3
83.04987	1.9
91.05475	5.4
93.07069	1.6
94.04217	2.1
95.08618	3.6
103.05498	2.3
105.07009	2.3
109.06499	1.9
115.05448	2.3
116.27944	1.7
117.07028	3.8
119.04924	2.8
119.59236	1.6
122.03642	7.2
128.06236	2.3
129.06996	6.8
131.04941	4.0
131.08617	2.3
133.02853	5.3
137.05992	100.0
144.05728	2.9
145.06503	4.6
149.06001	6.1
151.07538	7.5
157.06491	6.2
160.05211	3.7
160.07549	1.6
161.06003	2.9
163.07558	7.0
165.05482	4.6
165.09084	2.5
171.08109	2.2
172.05196	3.3
174.06784	6.0
175.07568	21.9
177.05528	8.5
177.09116	7.4
179.07048	3.8
181.06546	2.1
186.06766	2.0
187.07568	38.6
189.09102	13.7
195.08037	1.9
196.05151	3.6
197.05934	2.2
199.07622	4.7
201.09076	4.2
203.08568	7.5
203.10585	2.8
205.06519	2.1
205.08495	2.3
205.12276	11.5
207.08110	2.1
211.07570	14.0
212.08292	2.8
217.08672	12.1
219.08086	5.7
220.08862	6.1
221.09648	2.1
224.08345	3.0
225.09160	2.7
227.07057	16.6
231.08064	12.4
232.08887	4.6
233.09567	2.9
234.06883	2.1
235.07443	2.0
237.09111	5.0
239.06992	14.4
240.07809	14.5
241.08484	2.5
245.09743	1.8
247.07530	8.8
248.08324	18.0
249.09143	4.6
251.10674	2.4
252.07587	2.1
253.08636	2.9
255.06543	18.8
255.10074	8.0
255.13750	8.0
256.07254	5.6
257.04358	4.5
259.07504	5.0
260.08310	4.3
261.09088	5.3
263.06943	2.3
263.10721	15.5
264.07822	3.8
265.08591	6.7
267.06491	3.2
268.07288	6.1
269.08084	2.2
270.08887	34.4
271.09665	38.4
275.10815	4.4
276.07916	8.1
277.08615	9.5
278.09164	3.6
279.10236	9.0
280.07684	1.8
280.10855	3.7
281.07986	2.3
282.08929	11.7
283.09659	33.7
285.11597	2.1
285.14886	5.0
289.08658	2.7
290.09457	2.7
291.10190	48.2
292.10846	6.2
293.08069	7.7
293.11694	3.9
294.09003	2.3
295.09567	7.2
295.12885	2.5
296.10416	5.3
297.11200	3.9
303.10135	6.1
305.08350	2.3
305.11719	5.3
307.09564	7.5
307.13016	3.8
308.10492	10.6
309.11081	8.4
311.12888	8.6
317.11896	1.7
320.10425	3.2
321.11218	4.1
322.11923	2.7
323.12836	63.1
325.14337	2.0
327.13681	2.0
329.11862	2.1
335.12762	10.7
338.15149	56.1
339.15829	7.6
340.13022	5.1
340.72150	1.9
341.13873	18.0
347.16339	2.1
351.15927	9.2
353.13889	9.0
359.16623	5.3
379.19141	3.7
391.19095	22.7
409.20117	54.1
409.28574	3.4
410.20502	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.6
57.05811	0.6
60.04528	16.0
62.95997	0.6
69.07083	1.2
69.69649	3.8
70.02953	1.1
70.06604	4.6
72.08160	61.7
78.75916	0.7
84.08144	1.5
86.09714	10.8
86.92850	0.7
87.05596	13.5
94.06559	0.9
96.08149	2.1
98.09729	0.6
100.72322	0.7
103.05493	0.7
110.01673	0.6
114.09170	19.3
120.08112	46.3
129.10245	1.4
131.04959	1.6
149.05951	1.3
157.13379	1.3
159.11298	100.0
160.11656	1.1
166.08647	25.9
177.10249	11.7
187.10783	37.2
205.09781	1.3
223.10785	41.6
241.04095	0.6
244.12907	7.3
245.71774	0.6
261.08612	0.7
285.08759	0.8
313.08194	1.1
322.17401	1.2
325.07077	1.3
331.09232	2.3
332.16040	2.2
349.10321	1.4
349.18427	0.7
391.11279	1.1
391.19720	2.1
409.18701	1.9
417.21213	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	409.2012
Annotation	Emericellin
Peak:m/z	Relative Intensity
55.05508	1.0
58.15365	0.7
67.05499	1.4
69.07072	27.4
69.34726	6.3
71.04990	1.6
79.05505	1.7
81.07063	2.4
81.48826	0.7
83.04951	1.2
84.17340	0.7
91.05499	4.2
93.07066	1.3
94.04173	2.4
95.04995	0.7
95.08611	2.1
98.20782	1.7
103.05484	2.6
105.07054	1.8
107.04962	1.0
107.08618	0.9
109.06504	2.3
112.33958	0.6
115.05444	1.8
117.06997	2.0
119.04924	1.6
119.08509	0.7
121.06535	1.1
122.03661	5.4
125.06020	1.1
128.06213	1.7
129.07008	6.7
131.04948	4.0
131.08582	1.8
133.02856	3.5
133.06514	1.1
136.05228	0.8
137.05983	100.0
139.65759	0.7
141.06999	1.9
143.04929	2.1
143.08577	1.9
144.05679	3.3
145.06482	5.6
145.10146	1.5
147.04411	2.2
147.08032	1.8
149.05949	5.6
149.22687	0.7
151.03957	1.9
151.07536	9.3
153.05449	1.6
153.06956	0.8
155.08595	2.4
157.06491	5.0
158.07309	1.5
159.08080	2.3
160.05196	4.5
161.05986	2.3
163.07567	5.3
165.05513	3.3
165.06950	1.2
165.09048	1.4
167.07121	1.5
167.08650	1.0
169.06493	1.1
171.08049	3.0
172.05186	4.6
173.06078	1.1
173.09676	2.2
174.06749	6.1
175.07561	18.3
177.05492	8.1
177.09081	7.7
179.07034	3.9
179.08545	1.0
181.06537	1.8
182.07370	1.1
183.08061	1.6
184.05180	0.9
185.06027	1.5
185.09688	0.9
187.07552	34.8
187.11134	1.0
188.08261	1.7
189.09134	14.0
191.07008	1.3
191.08586	1.3
191.10712	1.1
193.10352	1.0
194.07106	1.1
195.08076	3.0
196.05247	2.1
197.05988	2.9
197.09608	1.3
198.06808	1.1
199.07549	5.6
201.09155	4.7
202.07858	1.8
203.06967	1.4
203.08585	7.1
203.10696	6.0
205.06616	1.6
205.08601	2.4
205.10397	1.5
205.12253	13.9
205.14084	0.5
207.08150	0.8
208.08833	0.9
209.09637	1.5
210.06905	1.2
211.07558	12.8
212.08292	1.3
213.05547	1.6
213.09180	2.7
215.10648	1.8
217.08578	9.9
217.12195	1.7
218.07285	1.1
219.08159	4.9
220.08846	4.3
221.09680	1.4
222.06841	1.0
223.07735	1.3
223.11107	1.6
224.08363	2.8
225.05534	1.9
225.09132	3.3
226.06104	1.0
227.07027	11.7
227.10620	1.4
228.07773	2.3
229.08574	2.5
229.12318	2.6
231.08020	9.4
232.08842	4.6
233.06053	1.8
233.09689	2.0
233.11731	1.2
234.06757	1.8
235.07552	2.3
235.11232	1.5
236.08417	1.0
237.09090	4.3
239.07043	14.9
240.07819	14.3
241.08546	1.9
241.12234	2.4
242.13382	0.8
243.08037	1.9
243.13882	2.7
245.09650	2.2
247.07622	4.9
247.11263	1.7
248.08371	14.3
249.09096	4.6
250.10158	0.9
251.07051	1.2
251.10754	3.3
252.07912	1.5
253.08684	3.6
253.12242	1.7
254.09299	2.5
255.06508	9.7
255.10205	9.7
255.13835	12.4
256.07269	5.4
257.09695	1.8
257.15292	2.0
259.07602	4.0
260.08350	3.5
261.05359	0.8
261.09201	4.2
262.06226	1.2
262.09888	2.4
263.07294	1.8
263.10657	13.6
264.07797	2.5
264.11435	1.6
265.08530	7.5
267.06519	4.9
267.10287	1.4
267.13739	1.8
268.07312	6.5
269.08167	2.1
270.08908	25.9
271.06912	1.4
271.09683	27.2
273.09167	2.0
274.09982	1.4
275.07275	1.7
275.10657	6.7
276.07858	9.8
276.10999	1.2
277.08658	11.2
277.11887	1.3
278.09406	3.0
279.10184	8.8
280.07388	1.7
280.11026	2.2
281.08319	1.2
281.11737	1.5
282.08856	13.2
283.09665	39.3
285.11633	1.6
285.14816	7.8
288.07880	2.5
289.08771	1.5
289.12317	1.1
290.09445	3.4
291.10162	38.0
292.07562	1.7
292.10938	5.8
293.08136	5.8
293.11783	3.0
294.08957	1.6
295.09781	7.6
295.13034	1.3
296.10501	3.1
297.11310	2.7
301.08618	1.7
301.12167	0.9
302.09366	2.0
303.10211	7.2
304.10840	1.1
305.08270	1.8
305.11813	5.0
307.09634	7.7
307.13330	4.4
308.10428	7.7
308.13892	1.2
309.11298	4.3
311.12790	8.8
313.14209	1.6
317.11746	2.2
319.09714	0.9
320.10452	3.9
321.11423	5.1
322.11914	6.4
323.12790	52.7
324.13364	1.6
325.14417	2.7
327.13885	1.2
329.11676	1.1
331.16959	1.6
335.12750	16.0
335.16531	1.1
336.13422	1.2
337.14471	2.8
338.15131	64.7
339.15900	11.2
340.13000	5.6
341.13812	17.0
344.14011	1.1
345.14746	1.3
347.12689	1.3
347.16516	3.3
349.14166	1.7
351.15945	10.6
353.13837	11.0
359.16479	8.2
360.17020	1.9
361.14285	1.5
364.16669	1.0
365.17566	1.9
376.16861	1.1
377.17621	2.9
379.19199	5.4
381.20541	1.1
391.19022	30.6
409.20114	64.2
410.20435	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	409.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	1.0
54.55696	0.6
55.01871	0.8
61.07574	0.6
67.05505	1.5
69.07073	23.3
72.08158	0.8
79.05476	2.8
81.07043	1.7
82.05897	0.7
83.08617	0.9
84.08128	3.3
91.05475	2.9
92.58568	0.6
93.03388	0.7
93.07036	1.4
94.04176	2.8
95.04955	1.4
95.08632	0.8
98.20748	1.7
103.05457	2.2
105.03409	0.8
105.07041	1.8
107.04944	1.6
107.08607	0.7
109.06545	2.7
115.05482	1.5
117.07034	1.0
119.04958	1.5
119.08544	0.6
121.06514	1.1
122.03664	5.2
123.04410	0.8
125.06004	1.1
128.06236	2.7
129.07016	9.1
130.07791	0.7
131.04918	2.9
131.08575	2.0
133.02795	0.7
135.04402	1.4
137.05984	100.0
140.05022	0.7
141.06993	1.4
143.04910	1.2
143.08557	2.7
144.05704	4.4
145.06500	2.9
145.10115	0.8
146.07245	1.2
147.04384	0.9
149.05983	2.8
151.03979	1.7
151.07533	4.9
151.15352	0.7
153.05473	1.7
153.07065	0.6
156.05632	0.8
157.06502	7.1
158.07266	2.4
159.08043	1.2
160.05185	1.9
161.06035	1.6
161.09659	1.4
163.07571	3.0
165.05479	1.0
165.06927	0.8
167.07022	0.7
171.08081	2.3
172.05203	7.9
173.05966	1.4
173.09647	2.3
174.06767	14.0
174.08195	1.0
175.07567	7.7
177.05533	1.6
177.09103	2.0
179.07069	1.1
181.06462	0.8
185.06052	0.7
187.07555	60.0
188.08286	2.4
189.07388	1.5
189.09119	22.2
190.07809	0.8
191.07069	0.9
191.08600	2.6
195.08012	1.0
197.09692	0.8
199.07544	5.8
201.09135	3.8
202.06209	1.0
202.07849	2.5
203.06914	1.2
203.08594	11.0
203.10468	1.4
205.06537	1.4
205.08485	0.8
205.10562	1.2
205.12234	5.9
208.08890	1.7
211.07484	3.7
213.09047	1.4
217.08598	28.3
217.12056	1.4
218.07236	1.6
219.08038	9.8
220.08797	4.3
221.06009	1.4
221.09581	1.0
223.11183	1.1
225.05420	0.9
225.09169	1.3
227.07051	4.0
230.07248	0.9
231.08086	11.4
232.08893	4.0
233.06017	1.5
233.09610	3.2
234.06750	1.4
235.07651	1.4
235.11090	0.8
236.08351	3.6
237.09085	3.4
239.07034	3.0
240.07906	2.9
245.09628	1.5
247.07567	9.3
248.08348	13.2
248.10782	0.9
249.05412	0.9
249.09074	4.5
250.06296	1.8
251.07178	1.0
251.10681	4.6
253.08606	3.2
255.06523	3.0
255.10100	2.4
255.13739	2.7
257.04550	1.1
259.07550	5.3
260.08295	3.8
261.09113	6.1
262.06296	0.8
262.09869	1.3
263.07590	1.1
263.10672	12.3
263.13306	1.1
264.07761	3.6
264.11716	0.8
265.08664	5.9
267.13739	0.8
268.07266	1.9
269.08124	1.1
270.08856	8.3
271.09662	6.4
273.09113	1.5
275.07114	0.9
275.10693	2.3
276.07877	7.6
277.08597	6.3
278.05704	1.2
278.09433	1.6
279.10165	15.0
280.07663	0.9
280.10910	2.6
281.07898	3.1
282.08847	2.2
283.09644	9.9
285.14798	1.8
289.08722	1.2
290.09415	2.0
291.10165	28.9
292.07837	1.0
292.10925	4.7
293.08154	5.7
293.11496	1.5
294.08832	1.1
295.09595	2.3
296.10461	10.2
297.11273	2.3
303.10175	2.4
305.08240	1.4
305.11758	2.1
307.09702	3.0
308.10352	4.8
309.11023	3.7
311.12775	24.3
313.14407	1.2
317.11856	1.5
320.10492	1.7
321.11166	2.3
321.14795	0.9
322.12027	1.2
323.12793	54.7
325.14267	1.0
331.13049	1.0
335.12805	5.5
338.15149	11.8
339.15787	1.7
341.13852	19.8
345.15027	1.1
347.16187	0.9
349.14288	1.5
351.15979	1.1
353.13876	4.6
359.16440	2.1
361.14294	1.1
377.17181	0.9
379.19156	1.5
391.19089	10.3
409.09091	1.0
409.20160	21.1
409.26086	1.1
409.34018	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58852	1.2
58.06600	12.0
69.62502	7.8
70.06599	2.6
84.04465	1.4
91.35754	1.4
95.29339	1.2
114.05507	1.2
116.07112	1.5
118.06557	18.8
120.08107	2.4
123.04486	1.6
128.43805	1.4
130.06670	1.6
132.08112	4.6
136.07570	2.2
142.06546	2.0
144.08113	14.0
146.06026	56.8
154.04938	6.6
155.05360	2.8
159.09201	4.4
160.07625	2.9
163.03931	2.8
166.07271	4.6
170.05998	4.6
188.07074	100.0
199.02007	1.6
202.08635	1.9
205.09726	37.2
234.96878	11.2
247.13283	2.0
248.94740	2.6
252.98027	14.8
257.04517	1.5
281.08871	1.6
287.05502	3.2
302.99585	2.7
330.99039	2.0
354.99332	1.9
373.00000	1.9
409.02362	4.8
409.09131	4.8
409.19550	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	409.1862
Annotation	Macrocliniside C
Peak:m/z	Relative Intensity
53.03944	8.6
55.05524	5.9
57.03434	3.7
57.07078	3.5
64.06734	2.6
67.05501	4.2
69.03442	30.6
69.07061	4.6
71.05003	4.0
71.52526	2.5
73.02933	8.0
79.05485	10.4
81.03427	40.9
81.07066	7.8
83.04992	39.4
83.08636	2.6
85.02914	8.3
85.06548	6.2
87.04482	5.3
91.05492	18.9
93.07043	21.1
95.04978	4.0
95.08626	5.2
97.02920	12.3
97.06555	16.4
99.04498	3.4
105.07037	17.6
107.08607	54.9
109.02898	29.6
109.06530	9.8
109.10223	2.6
111.04458	5.2
111.08103	4.0
117.07047	9.6
117.63683	2.6
119.08597	18.8
121.06527	50.5
121.10096	5.6
123.08086	4.9
127.03932	8.5
129.06999	3.7
131.08568	18.4
133.10150	11.6
135.08067	100.0
137.05948	2.8
137.09602	4.7
143.08554	6.5
144.09378	4.7
145.06529	11.9
145.10117	9.1
147.04492	4.1
147.08136	7.4
149.05995	7.7
149.09653	15.7
151.11159	3.0
153.09116	3.2
155.08676	4.7
157.10278	2.8
158.10939	8.8
159.08087	7.7
159.11716	29.5
161.09634	8.9
163.03949	9.1
163.07549	42.5
163.11235	5.9
169.10173	2.9
170.10907	5.9
171.08044	3.7
172.08890	9.1
173.02429	5.6
173.09637	19.3
173.13290	38.8
175.07626	2.9
177.12790	7.2
181.06375	2.7
183.11862	2.5
185.13235	4.9
186.10442	15.0
187.11217	65.5
189.09093	3.1
190.33553	2.7
191.07043	44.3
191.14255	2.8
201.12776	62.2
203.14328	9.2
204.28461	2.5
205.10379	4.5
205.12245	34.7
211.11192	13.3
214.09909	4.1
215.07121	6.4
219.13834	36.6
226.08281	2.9
229.04955	4.0
229.12260	85.6
246.11290	7.6
247.13463	89.9
257.04568	17.6
259.09674	17.6
391.17557	73.0
409.09134	9.4
409.17999	5.1
409.27707	2.9
418.67407	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	409.1859
Annotation	Macrocliniside C
Peak:m/z	Relative Intensity
53.03939	8.0
55.01871	3.8
55.05507	7.6
57.03438	2.7
57.07070	9.9
59.04990	2.8
63.23281	2.2
65.50400	2.3
65.79171	2.6
67.05500	8.2
69.03430	29.9
69.07059	7.4
70.06582	4.7
71.04998	2.7
71.52318	2.5
71.52700	2.4
73.02905	8.5
79.05491	11.7
81.03425	33.8
81.07079	6.9
83.04989	41.2
84.08143	5.6
85.02910	12.1
85.06544	4.3
86.09700	3.5
91.05489	18.0
92.00197	2.3
93.07050	24.5
95.04980	4.0
95.08625	6.0
97.02892	11.0
97.06558	18.6
99.04464	4.3
105.07040	19.3
107.08611	52.3
109.02884	22.4
109.06506	8.6
109.10176	5.0
111.04429	4.7
113.57115	2.9
115.05444	5.8
117.07037	10.3
118.34227	2.8
119.08613	18.7
120.08092	5.6
121.02834	3.4
121.06524	43.2
121.08392	3.6
121.10142	6.6
123.04448	8.0
123.08092	3.1
127.03912	13.5
129.06969	3.9
131.08557	14.0
133.10117	14.1
135.04402	4.2
135.08061	100.0
137.06013	10.1
137.09642	3.5
143.08565	8.3
144.09343	5.3
145.02866	2.8
145.04958	2.8
145.06488	10.5
145.10190	12.1
147.04427	4.8
147.08051	9.0
149.05978	10.6
149.09656	12.5
149.13193	2.8
150.10336	3.4
151.07549	4.8
155.08519	3.1
157.10161	4.3
158.10919	9.8
159.08110	16.0
159.11719	22.9
161.05925	6.0
161.09650	7.7
161.13251	2.9
163.03902	13.8
163.07552	40.4
163.11197	3.4
170.10963	5.3
171.08084	6.0
172.08855	9.0
173.09589	12.3
173.13255	38.6
175.07541	5.1
177.12961	2.5
183.11763	8.1
185.13110	3.3
186.10426	15.1
187.07587	5.1
187.11212	61.1
189.09148	5.8
189.12755	4.9
191.07034	37.1
196.08853	4.7
201.09126	3.0
201.12758	54.1
203.14375	9.6
205.12248	32.3
211.11180	9.3
215.07065	21.9
219.13838	43.5
229.04965	10.5
229.12248	77.4
245.04553	2.8
247.13347	89.2
257.04462	52.7
259.09695	23.3
271.09286	2.6
287.05542	4.2
391.17532	57.9
409.09247	24.2
409.18640	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	409.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	36.3
56.05023	2.6
56.05850	11.6
58.99344	1.5
58.99593	20.2
59.99908	2.5
69.03422	1.7
69.07061	1.4
70.06585	2.1
70.64382	4.2
72.08149	1.6
76.02233	8.5
76.03986	5.2
77.02551	1.3
80.93846	1.5
81.07042	4.3
82.07365	1.4
83.08626	44.4
84.04053	2.3
84.04514	29.4
84.08955	19.7
85.04343	1.3
85.04853	6.6
86.09705	1.8
86.98619	1.5
86.99065	16.8
87.99403	1.7
88.02221	2.3
101.04327	1.4
101.09653	3.0
116.01688	60.5
117.02073	15.1
118.01225	4.0
118.61990	1.6
123.04374	2.9
129.06578	5.7
130.04996	6.6
131.60104	1.3
142.03181	3.0
143.03465	2.4
144.01163	28.3
145.01514	12.6
146.00676	2.2
146.06334	1.4
159.08420	24.4
160.08730	20.2
162.02219	100.0
163.02583	39.7
164.01765	3.1
171.02985	1.3
176.10999	3.1
177.11372	2.5
179.04906	1.6
180.61363	1.5
199.08601	1.6
203.03285	1.9
209.51706	1.4
211.08640	2.1
213.10338	1.7
225.10242	3.7
239.08128	4.2
239.11731	2.6
240.08968	2.1
241.09677	5.0
242.10463	2.1
243.11325	4.2
245.04269	1.6
253.09634	6.9
257.04422	1.9
257.09216	2.1
259.10696	1.9
261.10712	2.9
262.11090	38.0
263.11438	56.4
264.10910	1.7
267.07733	2.1
267.11224	4.4
268.08319	5.2
271.10818	20.9
275.10260	2.1
277.11914	2.2
279.13818	13.3
280.14053	27.1
285.12201	4.2
287.05429	4.4
295.10907	3.1
313.11700	6.3
317.11407	2.0
323.10248	4.2
327.13486	1.7
333.14624	4.0
334.11798	1.9
334.15161	25.4
335.12228	2.1
341.11371	12.8
345.14401	1.7
355.12787	3.7
373.13950	9.6
391.14679	12.1
409.09766	6.1
409.15961	86.6
410.16769	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	409.1836
Annotation	Woodhousin
Peak:m/z	Relative Intensity
56.96535	0.4
67.05508	0.7
69.03419	0.8
69.07081	0.7
70.06595	0.9
71.38017	0.6
72.08167	0.5
79.05476	0.4
81.07051	1.0
84.08147	1.2
85.02922	1.9
86.03262	0.4
86.09713	1.1
87.04466	0.8
91.05487	0.9
93.07053	0.9
95.08624	1.3
97.02898	0.5
97.06491	0.6
105.07025	1.2
107.08606	1.0
108.08125	0.5
108.08878	0.4
109.02881	0.4
109.10178	0.9
119.08578	1.4
120.08122	0.4
120.08938	0.7
121.10184	0.5
124.03953	0.8
125.09659	0.5
126.09972	0.5
127.58640	0.4
133.10101	0.9
135.11729	0.5
147.11769	0.5
155.08456	0.4
158.99669	0.6
159.11374	0.6
173.13208	0.4
175.14854	1.6
176.15201	1.1
193.16019	0.6
194.16246	1.0
203.05330	0.7
206.09689	0.4
212.13910	0.5
212.17358	0.4
228.10268	0.9
229.10147	0.7
229.12248	4.0
244.54884	0.4
247.13460	2.0
257.04562	0.4
269.08658	0.4
370.17807	0.5
377.09586	0.5
391.13651	0.6
409.18362	100.0
410.18777	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30127	0.4
55.01876	0.5
55.05507	1.6
55.14069	0.4
60.04523	3.4
67.05515	0.7
69.03410	0.4
70.06578	2.3
71.52370	0.6
72.08163	10.5
79.05463	0.9
81.07050	0.8
83.13476	0.5
84.08136	0.9
85.06533	0.7
85.89788	0.4
86.09727	2.4
87.05598	2.6
91.05483	1.0
93.06998	0.7
94.29757	0.4
98.85150	0.4
105.07029	1.1
107.08579	1.0
114.09174	3.4
119.08571	1.3
120.08119	7.9
121.02900	0.5
123.04407	1.0
124.07578	0.6
129.10291	0.6
133.10185	0.9
134.57870	0.5
143.01862	0.8
147.11664	1.0
159.11302	18.3
161.03088	0.7
165.20444	0.5
166.08632	5.8
176.15205	0.6
177.10251	2.1
187.05090	0.7
187.10789	6.1
201.03769	0.7
203.05275	7.8
211.13339	0.8
212.13759	0.6
223.10783	6.3
224.09196	0.5
229.06178	0.5
229.12042	9.3
229.14275	1.0
231.13742	0.9
239.08070	0.6
243.07584	1.2
244.12859	1.6
247.13167	0.8
261.08777	0.6
267.07602	0.8
268.15402	0.6
269.09009	0.5
271.07126	1.0
285.08658	3.2
287.05820	0.7
289.08261	1.9
303.09732	1.2
307.09247	0.6
307.13840	1.0
313.08191	3.3
315.09711	0.9
331.09192	3.3
332.15878	0.6
333.10791	1.0
349.10297	4.4
349.14511	0.8
359.08649	1.1
367.11340	1.1
377.09772	2.5
382.29382	0.5
391.11383	2.3
391.19278	0.7
409.13440	3.7
409.18347	100.0
410.18692	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61887	1.3
55.05515	36.7
55.79851	1.5
56.05039	2.1
56.05855	12.4
58.99595	18.9
59.99899	2.6
69.69860	3.5
69.70273	4.5
70.06566	2.4
74.02392	1.4
76.02233	7.8
76.03981	5.7
81.07046	3.0
82.07335	1.4
83.06075	4.0
83.08628	44.4
84.04063	1.5
84.04517	24.0
84.08148	2.7
84.08955	19.1
85.04868	7.3
85.06519	2.3
86.09696	1.7
86.99057	13.4
87.99396	1.8
88.02219	1.5
88.10300	1.3
90.42495	1.4
98.09702	1.7
99.05540	1.7
99.68068	1.4
101.09619	2.3
102.05548	1.5
102.09991	2.1
116.01688	61.4
116.80161	1.4
117.02058	16.4
118.01270	1.5
123.04401	2.8
127.21976	1.4
128.67039	1.3
129.06554	5.0
130.04980	4.1
130.06883	1.9
131.05341	1.6
142.03229	3.6
143.03506	1.9
144.01161	26.2
145.01526	13.1
152.12244	1.3
156.10210	1.5
159.08394	20.0
160.08760	14.1
162.02219	88.1
163.02571	38.9
164.01718	4.2
177.11354	1.5
199.08611	1.8
200.09447	2.2
203.03397	1.9
211.08548	3.0
213.10246	2.5
215.03729	1.7
225.10132	3.5
229.09708	3.2
239.08119	5.6
239.11714	4.2
240.08849	3.5
241.09705	4.7
243.11250	5.6
253.09731	8.3
257.04449	1.7
257.09271	2.2
257.12775	1.5
259.10880	2.8
261.10727	2.9
262.11093	32.0
263.11426	50.9
264.10617	1.9
267.07794	1.4
267.11264	6.8
267.13940	1.6
268.08344	6.4
271.10831	22.7
273.12335	2.3
275.10312	3.2
277.11798	3.5
279.13751	10.0
280.14099	25.1
285.08603	2.0
285.12311	4.9
287.05362	4.6
289.11694	3.0
295.10669	5.1
313.11740	6.0
317.11218	3.8
318.11932	1.7
323.10217	8.6
327.13205	2.5
331.12674	1.6
333.14722	3.7
334.15149	20.2
335.12482	3.2
341.11301	15.6
345.14545	2.2
355.12616	3.3
359.12637	2.1
373.13922	15.0
391.14929	22.1
392.15134	2.3
409.09811	5.2
409.15955	100.0
410.16412	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	409.092
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
58.06581	0.3
67.05492	0.2
68.99789	0.4
69.03451	0.2
70.06563	0.4
70.35513	0.2
70.94651	0.2
71.04943	0.2
71.53539	0.4
79.05476	0.3
83.04987	0.2
84.08123	0.3
91.05503	1.1
93.07008	0.3
95.04949	0.3
105.03362	0.3
105.07017	0.2
119.04942	3.3
123.04430	5.2
129.07053	0.2
137.05952	0.3
147.04410	6.0
161.05992	0.5
165.05470	0.7
173.05925	0.3
175.03911	0.3
187.03804	1.1
201.05478	1.1
202.06282	0.3
203.03404	6.7
213.05450	0.7
229.04977	11.5
230.05678	0.6
241.04906	0.7
245.04465	15.5
247.13306	0.3
257.04453	100.0
258.05133	4.1
259.05896	0.6
269.04410	1.2
271.05984	1.7
285.04053	0.3
287.05505	7.6
317.08154	0.2
337.77847	0.2
391.08057	0.9
409.09207	48.2
409.18250	2.5
410.09628	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
56.05560	0.7
57.07064	0.7
67.05514	1.4
69.03429	0.9
69.07060	1.9
69.83415	3.3
70.06584	1.5
71.05000	1.2
72.08143	0.5
79.05489	0.9
81.03421	1.0
81.07059	1.3
82.05930	0.5
84.08127	0.6
85.02898	1.9
86.09704	0.7
91.05472	1.3
93.07037	1.0
95.04993	0.8
95.08588	0.7
97.06532	1.9
98.97593	1.5
102.59899	0.6
103.05486	0.9
105.07059	1.1
107.08609	1.0
108.95231	0.6
109.06480	0.7
109.10133	0.7
117.03463	0.8
117.06974	0.8
119.04935	1.8
121.13882	0.6
123.04448	2.7
131.04979	1.3
131.08543	0.7
134.09087	0.6
135.04420	1.5
141.07037	0.9
145.02855	1.3
145.10194	0.6
145.12231	1.1
147.04443	3.5
151.07541	2.5
161.05977	0.9
162.06557	1.9
163.03941	9.0
167.08559	0.9
169.06557	1.0
173.05914	2.0
173.09601	0.6
175.03973	1.2
187.07610	1.1
189.09103	1.1
195.08009	1.0
200.04666	2.0
201.05461	0.9
203.03442	2.8
203.05302	10.0
213.09114	1.5
213.50284	0.7
215.07053	2.8
219.01755	0.8
229.05014	5.0
229.12094	2.2
231.10187	1.5
237.02808	0.8
241.08652	1.5
245.04498	4.5
247.09308	0.9
247.13113	6.0
257.04483	50.2
258.05099	2.3
259.09698	6.4
287.05429	3.1
323.08005	2.0
341.09058	2.3
342.60193	0.6
363.04025	1.4
365.09366	1.2
381.05219	0.7
386.05640	0.9
409.09521	34.9
409.18369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	4.6
57.07080	0.7
58.06608	5.4
67.05514	14.5
69.07075	5.6
70.06593	1.4
70.41371	1.9
72.08162	100.0
75.09259	0.6
79.05505	3.5
79.55009	0.4
81.07062	14.4
81.07536	0.9
83.08624	2.6
84.08147	6.6
86.66220	0.5
90.08205	0.5
91.05474	2.4
93.07044	3.8
95.08615	11.0
97.06547	1.1
97.10175	1.3
99.08096	0.5
105.07030	1.2
107.08605	1.8
109.10173	5.0
112.07661	0.9
112.11243	3.8
116.07137	0.6
119.08556	1.0
121.10176	1.5
123.11731	1.7
127.06590	0.5
128.70744	0.4
129.13893	0.7
130.12296	0.9
133.10162	1.4
135.11742	1.2
137.13289	0.8
147.11719	0.7
149.13306	0.7
161.13338	0.6
186.98318	0.5
188.01784	0.5
244.26984	0.5
257.04565	1.0
320.29492	92.2
321.29953	1.8
334.31027	0.9
337.32135	7.6
391.36871	56.7
392.37238	1.3
408.39517	80.6
409.09225	0.7
409.39850	1.6
424.14368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.2
58.06631	1.6
58.95499	1.6
67.05523	1.7
69.07068	3.0
69.85269	8.9
71.05011	10.0
73.06550	2.0
75.22099	1.7
76.46568	1.6
79.05497	3.1
81.07060	15.9
85.02888	2.0
91.32540	1.8
93.07051	11.8
95.08615	2.3
97.02870	2.4
98.20895	2.4
107.08638	8.5
135.11682	14.6
150.09209	1.6
153.12759	100.0
163.03946	2.3
167.06993	4.3
170.04788	1.7
173.51369	1.7
180.43748	1.7
182.09430	2.4
193.08638	2.8
207.06436	2.7
210.08817	10.1
228.23155	3.0
246.18529	14.6
408.23727	6.0
409.25345	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.1
58.06593	17.7
69.07075	16.5
70.23566	32.2
79.05496	14.9
85.06538	12.8
86.47694	9.4
91.05476	29.1
91.51598	8.8
93.07060	73.4
107.08620	63.6
109.10136	13.4
119.04883	9.9
121.06559	9.0
135.11702	100.0
135.51019	10.3
149.05901	10.7
153.12733	9.2
161.05977	22.3
175.04037	8.9
191.06972	11.1
193.08643	11.9
207.06512	25.7
209.08052	19.5
218.87296	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	408.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	5.0
58.06588	0.7
65.03921	0.9
67.05507	4.9
68.05030	6.0
69.07079	8.7
69.07426	1.2
69.72849	1.4
69.73264	1.6
70.06603	12.9
70.06969	1.4
70.20957	0.5
71.31639	0.5
72.08123	1.4
73.21996	0.5
79.05502	6.8
80.05021	4.1
81.07062	11.0
82.06612	3.3
83.08578	1.8
91.05487	7.1
92.83912	0.8
93.07057	8.2
94.06575	0.7
95.04956	1.0
95.08626	10.1
96.08143	3.4
97.10137	0.9
98.21488	1.1
100.06999	0.8
100.07623	10.0
103.05450	0.9
105.07040	33.4
106.06552	0.6
107.08614	9.0
108.08134	4.6
109.10168	3.3
114.05557	5.5
116.06307	0.8
116.07077	2.0
117.07041	4.7
119.08599	22.0
120.08084	2.1
121.10176	5.7
122.09637	1.4
123.11656	2.3
126.09106	1.1
128.06227	1.4
128.07080	11.7
129.06961	2.2
130.07782	1.1
131.08621	7.4
132.08092	1.0
133.10143	11.6
134.09621	1.8
135.11687	1.3
137.13232	0.9
142.07861	1.0
142.08617	5.0
143.08577	4.9
144.09273	0.7
145.10132	11.5
146.09628	0.7
147.11690	5.2
148.11162	2.3
149.13263	1.0
152.07167	0.7
154.08661	21.1
155.08537	2.7
156.09340	1.5
157.10156	5.8
158.09723	0.7
159.11707	6.0
160.11258	1.0
161.13234	1.7
164.07037	2.0
167.08536	0.9
168.10263	6.1
169.10135	4.6
170.10910	0.8
171.11681	5.0
172.11131	0.9
172.12526	0.8
173.11902	0.7
173.13271	2.4
174.12732	3.5
175.14828	9.2
177.16272	0.7
178.08665	3.0
180.10133	1.1
181.10107	1.8
182.10791	0.7
183.11615	2.2
185.13290	2.7
186.12749	0.7
187.14824	1.3
189.16434	0.9
192.10286	1.7
193.10146	0.8
194.11823	7.5
195.11737	0.7
197.13286	3.5
199.14833	1.6
201.16394	4.5
202.15880	0.7
203.17987	1.0
209.13228	1.4
211.14859	2.9
216.10175	1.8
218.11800	3.7
219.12494	1.3
220.13397	4.9
223.14970	1.1
225.16466	1.2
232.13336	1.9
235.14961	0.7
237.16278	1.1
246.14824	0.8
247.15805	0.9
258.14874	0.8
260.16550	1.7
267.21130	2.5
286.18124	3.9
293.22629	2.1
301.20380	1.6
316.22742	100.0
317.23102	1.5
320.29495	1.7
349.30127	0.7
391.36801	0.7
408.29031	62.4
409.29376	1.2
434.68073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
63.16473	5.2
67.05497	5.7
67.95898	5.4
69.07079	7.6
70.06600	6.3
70.90981	4.8
71.04981	16.7
71.52695	11.5
79.05498	18.4
81.07068	33.0
91.05508	9.9
93.07032	25.9
95.08602	13.0
100.02242	5.9
105.07018	17.0
107.08604	22.2
109.10183	10.1
117.07057	6.0
133.06508	11.9
135.11719	40.5
153.12772	100.0
161.06001	30.1
167.07127	8.0
193.08623	22.9
210.08887	13.5
233.33846	7.3
318.11548	11.5
408.35519	6.9
423.37531	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	408.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.05512	3.0
57.03428	3.6
57.07079	2.3
59.28228	1.3
61.02921	5.2
67.05509	6.7
68.91784	1.2
69.03437	10.2
69.07069	5.6
69.36624	3.5
69.37043	7.0
70.06583	1.3
71.04977	3.3
71.88287	1.2
73.02930	1.5
79.05502	3.1
81.03439	5.1
81.07067	19.8
83.08620	4.4
85.02911	38.9
87.04472	5.5
89.45724	1.3
91.03986	2.5
91.05487	5.2
93.07055	11.6
95.08612	30.9
97.02021	1.2
97.02907	12.5
97.06527	2.4
98.21434	2.8
99.04462	3.1
101.05978	1.5
105.07047	21.6
107.08598	13.4
109.02860	2.8
109.10161	12.5
111.08092	2.5
115.07594	2.5
116.07154	1.3
118.55475	1.3
119.08584	42.7
121.10194	6.5
123.07999	1.7
123.11718	4.0
125.09622	1.8
127.03927	5.0
127.07512	1.8
127.11367	1.2
131.08598	2.2
133.10146	29.1
135.11713	11.6
137.09662	2.5
137.13260	5.8
141.09087	1.6
145.04985	10.7
147.11716	10.7
149.13266	5.6
163.14839	5.5
165.16431	4.3
175.14839	100.0
176.15347	1.5
193.15898	82.1
211.16940	21.8
218.89381	1.3
224.21196	1.2
229.18080	3.8
231.12274	1.2
316.09848	1.3
390.13580	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	408.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60166	4.3
56.96551	8.1
58.20413	4.3
61.26748	5.1
69.78516	29.6
71.59439	4.5
73.42976	4.6
79.05492	15.7
81.07057	11.7
91.05486	19.3
93.07058	77.4
95.08627	10.3
97.06544	4.5
98.21603	5.0
105.07047	27.7
107.08594	57.6
112.99157	12.6
119.08521	5.7
121.06517	6.0
131.00186	8.7
133.06520	22.3
133.10170	7.0
133.83835	5.3
135.11703	100.0
145.45050	4.6
149.06029	8.2
161.06013	41.0
167.07072	17.1
191.37614	5.1
193.08624	32.9
197.90898	4.4
209.08057	13.3
210.08911	11.1
211.09674	10.7
318.13684	26.3
408.39105	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	6.0
67.52420	3.3
70.21342	8.2
70.21740	6.9
79.05507	9.0
85.06561	7.1
91.05487	10.5
93.07047	25.9
103.05515	4.6
105.07033	45.9
106.51121	3.5
107.08601	42.5
110.14900	3.6
113.39185	3.8
115.05461	7.3
117.71442	3.6
133.06506	40.8
135.11659	20.8
149.06017	6.4
161.05998	92.5
167.07051	9.1
193.08632	100.0
193.10318	6.8
210.08829	7.2
211.09763	19.7
257.66998	4.2
262.34711	4.5
408.24393	4.4
413.61792	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	408.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01868	2.1
55.05497	1.4
57.03445	5.6
58.06593	2.0
77.18783	1.1
79.05495	8.4
89.06019	2.2
91.05481	9.5
93.07050	53.4
95.04975	3.6
95.08588	3.1
103.05447	5.1
105.07037	47.1
107.04984	1.5
107.08612	7.1
115.05477	7.3
118.04160	2.3
119.04929	2.3
119.08573	2.2
121.06452	1.2
121.10153	100.0
122.10477	1.4
125.09631	1.4
131.04959	2.5
131.08554	2.8
133.06508	36.6
135.11656	1.9
137.43315	1.1
143.06073	3.5
147.04425	1.4
147.11650	1.1
149.06003	2.2
149.09668	5.1
154.75383	1.0
161.05992	79.7
167.07056	10.1
167.10753	1.1
176.47412	1.3
181.08614	6.3
181.12238	6.0
191.07133	1.3
193.08618	70.2
198.14833	1.6
205.08644	2.5
211.09650	3.2
219.10124	1.5
223.09584	1.4
231.10085	1.8
301.18033	2.0
313.17957	2.1
329.17471	4.6
329.98584	1.1
361.20090	1.4
373.20206	1.4
385.90213	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01921	1.1
55.05510	3.1
57.03432	1.9
57.07072	1.7
58.06598	3.7
60.01264	1.1
61.02909	2.0
65.44924	1.2
67.05494	4.7
69.03416	3.9
69.07072	7.3
70.06601	2.0
70.17303	1.6
70.17680	2.1
71.04979	1.7
72.08160	1.4
73.02921	1.2
79.05503	9.0
80.70920	1.1
81.03413	3.2
81.07060	12.6
83.04980	2.4
84.04497	5.0
84.08147	2.4
85.02919	19.3
85.06532	2.8
86.09708	12.0
91.05489	27.1
93.07058	14.4
95.04968	12.4
95.08598	4.5
97.02866	4.2
97.06524	2.0
98.94469	1.1
99.04441	1.9
101.47606	1.1
102.05540	2.4
105.07041	31.6
106.02928	1.5
107.08607	6.4
108.08884	1.4
109.02842	2.4
109.06504	8.0
109.10141	2.5
116.68472	1.2
119.08598	9.4
120.08119	14.9
121.06493	1.9
121.10098	3.9
123.04452	3.1
123.08061	2.7
123.11696	4.5
124.03960	2.7
125.05991	4.0
127.03925	2.2
127.44452	1.4
131.08586	5.0
132.10202	5.3
133.06474	2.1
133.10146	88.7
134.10548	1.1
135.08054	2.2
136.07553	3.9
137.05965	5.3
139.07555	16.5
141.05453	4.2
145.04964	1.5
147.11694	28.5
149.09624	2.4
151.03987	1.7
151.07552	5.7
151.11201	22.1
153.86571	1.3
154.83937	1.1
155.07010	4.2
157.10117	1.2
165.12749	5.2
166.08621	4.6
175.11195	10.5
175.14842	4.5
193.12262	56.9
193.15889	3.6
195.34116	1.2
211.13304	100.0
215.13872	2.1
227.12943	1.3
229.05182	1.7
229.14374	7.0
231.11270	2.1
249.12410	2.6
249.15952	2.0
257.04443	9.7
319.03903	1.7
337.07440	1.4
409.09259	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	408.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73212	0.3
53.03964	0.3
56.82160	0.3
61.95886	0.4
69.03436	0.6
70.06603	58.5
71.06924	0.3
71.21841	0.4
71.31054	0.7
72.08166	0.7
84.04539	0.4
84.08147	1.1
85.02924	1.0
90.94812	0.6
97.02892	0.6
98.97594	0.4
107.05000	0.4
116.07109	100.0
144.95828	0.5
167.07104	2.2
211.09584	0.4
234.99046	0.5
294.73071	0.3
370.33960	0.4
379.06821	0.5
408.15918	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07000	0.8
53.78984	0.8
55.01870	1.3
55.05514	2.2
58.06603	1.4
67.05505	3.0
69.03441	1.9
69.07068	6.1
70.06598	4.6
70.10020	3.3
71.04996	1.6
71.34586	1.0
72.06973	1.1
72.08143	3.0
79.05504	2.4
81.03422	1.5
81.07072	6.2
83.04983	2.3
84.08149	1.7
85.02907	8.7
85.06551	3.9
86.09725	6.0
91.05489	8.0
93.07050	7.7
95.04972	2.9
95.08603	2.0
97.02888	1.3
98.97581	1.0
105.07048	8.1
107.08601	3.9
109.02871	1.0
109.06524	8.5
109.10143	2.8
111.95225	0.9
119.08596	4.8
120.08109	3.5
123.08022	1.1
123.11732	1.5
124.03965	2.0
127.03944	1.5
129.10239	1.4
131.08591	4.5
133.10144	49.9
137.06010	4.4
145.05020	1.0
147.11699	11.6
149.09653	2.2
151.07507	1.6
151.11201	35.5
155.07040	8.9
164.39832	0.9
165.12798	2.5
167.07071	3.2
168.07410	2.6
169.07495	1.6
175.11241	5.2
175.14867	1.4
181.62546	1.0
185.16499	1.0
193.12260	26.2
211.13318	100.0
212.13710	1.0
218.49438	0.9
229.14398	26.5
409.18195	1.5
417.67993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89040	0.8
55.05518	32.1
56.05029	0.9
57.98803	0.8
58.99588	14.7
61.01166	1.1
69.51254	3.5
71.37027	0.8
73.01111	1.0
76.02229	8.2
76.04002	4.4
79.05475	0.8
80.31742	0.9
81.07043	1.6
83.06117	2.1
83.08627	44.9
84.04511	26.2
85.01151	1.3
86.99065	12.1
88.02209	2.4
99.05592	2.2
101.09664	1.9
105.00086	1.1
107.08594	1.6
115.05824	1.7
116.01688	64.7
129.06593	2.5
129.07422	1.7
130.05032	4.3
132.04764	0.9
141.07336	1.6
142.03163	3.9
144.01155	27.8
145.06056	1.4
159.07059	1.6
159.08409	46.9
162.02219	100.0
170.02721	0.9
176.11023	7.1
179.04907	1.2
205.08908	1.3
244.10078	1.5
257.07919	0.9
262.11105	59.8
279.13760	29.9
333.14746	10.2
390.16782	1.6
391.15482	0.9
408.18054	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	408.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30491	0.9
55.05518	29.5
56.05051	1.1
58.99595	12.9
69.20072	7.0
69.20494	2.8
70.06589	0.9
73.01131	1.9
76.02242	6.8
76.03998	3.4
81.07052	1.3
83.06100	2.8
83.08630	45.1
83.09126	2.2
84.04516	20.2
86.99073	11.4
88.02223	3.4
98.20705	2.1
101.09650	3.4
105.00091	1.5
107.08608	1.0
115.05750	1.6
116.01692	60.8
125.17365	0.9
129.06563	5.5
129.07419	1.3
130.05009	5.9
142.03250	4.3
144.01170	32.7
145.06125	1.3
159.08409	30.6
162.02223	100.0
166.70103	0.9
170.02794	1.5
176.11078	3.1
205.08878	1.1
236.16113	1.1
244.10130	1.5
245.05832	1.1
261.10767	1.3
262.11121	55.9
279.13776	25.0
325.67346	0.9
333.14844	16.9
345.14545	1.3
390.17093	1.1
408.18063	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	408.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.5
55.05492	0.6
57.03435	1.0
61.02903	1.4
67.05489	0.6
69.03439	3.2
70.06581	0.9
71.04972	0.6
72.08125	0.5
73.02894	0.8
81.03399	1.3
81.07047	1.0
84.08111	1.2
85.02919	5.9
86.09692	1.2
87.04445	0.8
95.08597	0.4
97.02913	2.6
97.03432	0.5
99.04427	0.5
107.08579	0.7
109.02889	1.0
109.06502	0.6
113.22988	0.4
119.08601	0.7
120.04447	1.7
121.10224	0.5
124.03969	0.6
125.09612	0.9
127.03912	1.2
130.37292	0.4
131.08533	0.4
132.04439	0.7
133.10117	0.9
139.44812	0.4
146.05994	1.6
158.06033	4.6
162.02240	0.6
162.05522	3.6
167.07327	0.5
172.07697	0.5
172.11223	0.7
174.05524	42.3
175.05780	0.4
175.14851	0.6
182.09715	1.0
186.05521	15.7
186.09134	4.9
187.05852	0.4
192.07967	0.5
193.12297	0.6
193.15919	0.7
200.07143	0.6
200.10698	2.5
210.09151	7.6
211.13335	0.7
212.07121	0.6
213.07915	1.6
228.10211	100.0
229.10576	1.4
246.11288	51.4
247.11530	0.4
253.89871	0.5
284.11212	0.6
316.10266	0.5
318.11597	0.5
325.31137	0.4
390.13885	3.7
390.23398	0.5
408.16571	37.3
409.17865	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66895	0.2
53.03936	0.6
58.06601	2.6
58.86706	0.2
59.06939	0.4
64.46829	0.2
69.03439	1.1
69.92990	0.2
70.06593	0.6
70.18486	0.9
80.05015	0.7
81.03448	0.5
82.81543	0.2
83.01354	0.4
85.02914	1.7
92.05008	5.4
97.02876	0.5
99.04434	0.3
107.04967	0.4
108.04475	1.8
109.02884	0.7
127.03920	0.8
135.04422	0.3
136.03941	6.2
136.19635	0.3
141.05458	0.3
146.06004	0.5
153.04089	0.2
154.05002	100.0
155.05301	0.7
160.07600	2.1
160.68741	0.3
163.03903	0.5
167.07077	0.4
174.09271	0.3
181.05003	0.6
184.07681	0.2
188.07112	0.7
195.10106	0.3
202.08679	0.6
205.09843	0.2
205.17171	0.2
227.87859	0.2
234.96921	0.4
252.97856	0.6
275.97256	0.5
280.08179	25.9
281.08682	0.2
298.09235	5.3
363.18982	0.3
408.12750	1.6
408.25012	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35820	0.8
53.98793	0.8
56.96569	5.2
58.22491	0.7
69.41679	6.1
70.06592	2.2
72.96046	2.2
77.05819	0.8
82.06577	1.2
84.08152	65.1
84.96040	1.1
98.96942	1.7
98.97582	27.0
110.97581	6.3
116.00249	0.9
116.07090	2.1
116.98647	6.0
128.98582	3.9
130.08643	2.3
131.00163	1.7
134.99648	0.8
138.02290	2.2
149.01213	1.4
156.03358	1.0
158.99689	10.1
168.03381	1.7
170.99709	3.0
177.00783	5.7
182.04916	1.1
184.02777	4.9
186.04411	18.1
189.00664	4.3
202.03906	1.7
204.05472	8.5
207.01805	1.1
219.01753	1.6
222.06477	0.9
228.05446	100.0
229.05887	1.1
233.03502	0.8
237.02794	2.3
240.05461	12.2
246.06529	68.2
251.04559	1.6
258.06491	13.0
264.07581	2.0
269.08054	1.5
276.07523	3.3
279.03949	9.8
288.07559	18.3
293.05380	5.6
297.04919	1.2
300.07733	2.0
311.06589	1.6
318.08691	9.0
348.09598	3.6
366.10461	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
56.05029	0.5
58.06600	0.8
61.05899	0.3
67.05490	0.3
68.99791	0.6
69.03432	1.0
69.07066	0.4
70.06586	1.0
71.05004	0.3
71.53198	0.2
71.53627	0.4
72.08152	0.6
78.03468	0.9
79.05531	0.3
80.05025	0.5
81.03423	3.4
81.07057	0.7
83.91130	0.3
84.04497	0.3
84.08139	1.8
85.02932	1.3
86.09712	2.9
91.05495	0.7
93.07043	0.8
95.04974	0.8
96.04479	0.6
97.02919	0.5
97.06538	0.2
98.03664	0.9
99.04455	0.8
104.05338	0.7
105.07020	0.4
106.02928	4.8
107.04945	0.3
107.08609	0.4
109.02910	3.2
113.05994	0.9
115.22487	0.2
119.04951	0.5
119.08648	0.3
120.08125	0.6
121.08510	0.2
121.10145	0.4
123.04444	1.0
124.03963	40.2
125.04285	0.4
126.03141	2.5
127.03947	1.7
129.10231	0.8
130.06561	0.5
130.08653	0.4
136.07578	2.1
141.05473	100.0
142.05844	0.9
147.04472	0.4
147.11787	0.3
149.09633	0.5
160.07614	0.7
175.14932	0.3
183.06587	0.3
190.08664	0.3
193.12343	0.5
211.13333	0.8
226.07152	0.6
231.05235	0.8
245.08043	0.3
246.07687	1.4
249.15973	1.3
250.07121	2.2
261.66260	0.3
268.08179	42.2
269.08521	0.8
277.15436	0.5
283.68109	0.3
295.16595	0.4
408.13239	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
57.03442	5.0
57.07085	5.9
67.05511	2.7
68.84653	0.7
69.07074	2.0
70.03490	0.7
71.08637	5.1
71.53259	0.9
72.08163	1.4
81.07067	3.6
83.08640	1.6
85.10191	1.6
89.06017	1.0
93.07066	0.6
95.08630	4.9
97.10210	1.2
105.07039	0.9
109.10161	1.9
113.00024	92.8
123.11720	0.9
157.19786	0.7
169.02625	100.0
191.85309	0.6
205.95045	0.7
362.30493	1.0
407.36151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15411	2.5
70.16434	0.6
95.57114	0.6
98.20821	0.8
98.21333	0.9
98.97566	1.5
101.00880	3.3
105.70824	0.6
119.01932	4.6
134.99847	0.7
150.60869	0.6
158.99916	1.9
162.27803	0.6
176.99588	1.0
177.00975	10.1
182.99930	1.3
201.00931	3.7
217.04243	3.2
219.02031	22.5
225.01176	2.6
242.99742	1.2
243.02031	12.2
258.99927	1.3
260.00275	0.7
261.03098	100.0
262.03360	3.1
282.99991	2.5
284.00165	1.5
284.04642	1.1
284.99924	0.8
285.99707	0.7
301.01160	2.0
302.01227	1.7
303.01184	0.9
320.23163	0.7
367.02072	2.9
385.03207	23.5
386.03131	0.9
403.04297	19.7
404.04581	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	6.0
57.03434	15.8
58.06601	27.4
58.99598	7.3
64.33838	3.1
67.05496	5.5
69.03434	7.6
69.07063	5.2
69.76885	17.5
70.06585	11.1
71.04998	35.1
72.08150	7.9
73.26894	3.5
76.02232	9.2
79.05495	48.9
79.87595	3.0
80.05781	3.7
81.03413	5.0
81.07056	13.1
81.94225	3.7
82.06573	11.5
82.07404	6.4
83.04973	8.4
83.06908	3.4
84.04504	17.8
84.08136	5.3
85.02906	19.4
85.04848	5.5
86.00633	4.4
86.09696	6.0
86.99054	5.1
91.05473	21.0
92.18452	2.9
93.07047	42.5
95.04969	20.8
97.02896	3.5
97.06526	4.9
98.09675	4.1
99.08080	4.9
102.05567	3.7
103.76176	3.0
105.07035	12.1
107.04980	5.2
107.08591	15.7
110.09695	3.6
116.01682	11.4
117.07043	8.1
119.08620	4.8
121.06514	59.6
121.10158	23.6
123.04435	12.3
127.03941	4.7
128.07085	73.7
129.07433	31.7
130.04970	5.6
131.08562	22.4
135.11679	15.4
137.05994	8.1
139.07527	25.7
141.05481	29.9
144.01105	4.8
145.10139	24.2
147.11691	6.8
149.06000	4.2
149.09685	15.1
156.08473	8.7
156.10208	7.0
157.08789	5.5
157.10535	4.2
158.07202	4.5
160.07594	5.2
162.02213	13.4
163.11217	54.6
165.09108	5.7
167.06987	3.7
167.10753	4.3
174.09505	8.7
175.09782	3.6
177.05362	3.5
181.12248	5.5
181.49178	3.3
191.10670	71.3
209.11732	63.4
210.12009	6.4
216.07114	3.7
227.12811	100.0
243.08931	4.4
245.04446	5.7
259.11157	26.9
260.11462	59.5
261.10086	4.2
332.13562	4.4
333.13611	5.9
362.18689	4.3
380.54807	4.6
407.15268	36.5
407.20932	10.7
407.25250	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59835	2.5
55.01889	2.9
55.05502	3.3
56.05031	4.1
57.03425	11.2
58.06597	13.8
58.99566	5.2
61.02912	2.1
62.54460	2.2
67.05502	3.1
69.03412	7.4
70.06593	6.5
71.04993	25.2
71.53293	3.8
72.08142	3.5
76.02214	8.3
76.71624	2.4
79.05073	3.4
79.05492	30.1
81.03400	3.9
81.07047	11.1
82.06586	4.5
82.07394	3.5
83.04987	4.4
84.04501	18.2
84.08147	4.4
85.02915	15.2
85.04849	3.3
86.09708	4.8
86.99045	4.3
91.05481	23.2
93.06487	3.8
93.07047	39.7
95.04982	18.0
97.02878	6.7
99.04480	2.5
102.05512	3.0
105.07011	9.3
107.04943	4.7
107.08577	8.4
109.02842	3.0
109.06509	3.7
113.04161	3.2
116.01664	9.8
117.07032	3.9
119.08563	8.6
121.06512	49.9
121.10179	12.3
123.04408	9.3
125.06007	4.8
128.07082	22.1
129.07411	12.8
131.08557	17.7
135.11722	15.9
137.05984	5.9
139.07559	19.6
141.05476	25.2
144.01117	2.8
145.10127	25.0
147.07983	2.7
147.11642	8.1
148.23967	2.9
149.05936	6.0
149.09645	14.1
156.08397	6.5
156.10193	4.4
158.07085	3.3
160.07617	3.0
162.02280	5.1
163.11176	48.4
165.09050	7.3
167.07103	3.1
167.10690	6.2
173.09613	3.3
174.09535	4.4
174.78177	2.6
175.09807	2.6
181.12337	3.3
191.10672	65.1
203.07480	3.3
204.47845	2.4
208.37112	2.6
209.11731	55.7
210.12053	6.0
217.07246	2.9
222.14975	2.4
227.12788	100.0
243.26302	2.6
245.04320	2.6
245.13713	4.5
259.11127	20.9
260.11392	50.9
288.12732	2.6
332.13260	3.7
337.98309	2.7
340.81155	2.7
407.15506	22.3
407.20651	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	407.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90474	0.9
69.03433	1.2
69.07069	2.4
70.06586	2.6
71.51942	1.2
72.08154	2.0
74.77180	0.8
78.58554	0.9
80.05039	0.9
81.07063	2.0
83.04982	1.0
83.06090	2.1
84.04512	4.5
84.08136	2.4
85.02903	1.9
86.09720	6.7
86.67375	0.9
91.05441	1.7
92.05045	1.0
93.06992	1.1
95.04948	2.5
95.08591	1.2
97.02926	0.9
97.06551	1.2
99.04457	2.9
105.07030	2.4
107.08598	1.0
108.04511	1.9
108.08939	1.3
109.06526	0.9
119.04942	1.2
119.08591	1.2
120.04475	4.2
120.08119	5.3
120.08829	0.9
122.06059	0.9
123.08093	0.9
129.06609	1.7
131.08607	1.2
133.10133	2.5
134.06007	0.8
134.10458	1.4
138.04306	0.9
138.05470	4.7
147.04407	3.4
148.03915	0.9
152.07120	2.1
154.05006	1.7
154.06375	0.8
162.13689	0.9
166.08626	4.2
167.07097	3.0
172.07625	0.9
173.13298	2.9
174.05605	0.9
174.13583	4.6
178.05022	8.9
181.28374	1.0
188.03419	9.4
191.14304	2.3
192.06555	1.7
192.14676	3.4
196.06047	6.2
196.14458	2.0
199.08678	2.3
206.04510	3.5
209.15343	1.4
210.15738	2.9
211.08685	1.3
212.09216	1.6
213.06677	0.9
213.10274	2.4
214.15512	2.0
223.08786	2.5
224.09367	1.1
225.10220	1.5
226.08842	1.4
227.08148	12.3
227.11798	1.2
227.16393	2.9
228.16743	2.2
229.09975	1.2
232.68109	1.0
237.10275	8.5
238.08867	2.2
238.10942	1.8
239.11801	3.7
241.09760	11.9
242.15022	1.5
243.07727	1.6
243.11319	1.3
245.09200	3.1
251.08206	10.4
253.09769	1.3
254.07954	1.2
254.10454	1.1
255.07707	9.2
255.11328	2.8
265.09747	12.2
266.08020	1.9
266.10522	1.2
267.11325	3.5
268.09680	3.1
269.09244	32.0
271.10651	1.3
273.08670	10.0
279.07657	18.6
280.08493	2.3
283.10797	6.2
284.09097	3.8
285.12308	2.9
286.10806	1.4
287.10336	2.5
293.09265	18.3
295.10706	3.0
297.08734	48.9
298.09390	2.5
301.11716	1.5
302.10117	1.8
311.10254	8.8
312.08673	2.0
313.11816	3.8
314.10181	2.6
315.09790	22.6
315.13354	2.3
316.10056	1.6
321.08694	12.9
325.11758	8.9
329.11359	4.6
330.09650	1.4
333.10843	19.2
339.09814	26.9
343.12943	8.3
345.14383	1.0
347.12274	1.8
353.12207	0.9
357.10803	15.0
358.09225	2.8
363.10474	2.5
371.12332	14.3
375.11926	9.7
380.94360	1.1
389.13458	100.0
390.12405	4.0
407.09265	4.7
407.14557	5.6
414.30209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.9
56.96571	22.7
57.03429	15.5
58.99856	3.6
61.02932	30.0
61.64275	3.6
65.66413	3.6
66.44395	3.7
69.03430	44.6
70.06585	12.1
70.67277	5.2
70.67618	6.5
70.93298	3.0
71.05003	4.6
73.02908	15.0
73.78175	3.9
77.05637	3.4
81.03419	9.4
84.08150	25.2
84.96042	3.7
85.02915	100.0
85.03430	5.9
87.04476	5.8
91.03952	6.4
97.02892	29.0
98.97601	28.5
99.04451	8.1
101.00890	27.9
109.02894	6.9
110.97572	15.5
113.00896	16.2
115.02430	10.0
116.04082	3.1
116.07114	16.8
116.98583	9.7
119.01925	37.1
121.01683	3.9
122.38223	3.2
124.99142	6.8
127.02430	4.5
127.03955	37.5
128.98647	16.4
130.08620	11.8
131.00169	4.4
131.01910	32.3
133.03464	9.3
135.04390	3.3
136.01839	3.7
139.02498	5.0
140.98616	5.1
143.00200	7.9
143.01920	39.4
144.02042	6.8
145.02530	3.9
145.03546	18.6
145.04979	32.4
146.99721	4.8
147.01297	3.6
149.02963	6.7
155.01906	45.4
155.02998	6.0
157.03490	10.6
158.99646	8.5
161.01241	9.1
161.02951	31.3
163.03882	9.8
167.01923	6.8
168.99873	7.7
169.03464	9.4
170.99696	6.6
171.01384	5.2
173.02989	57.2
177.00815	5.4
180.99959	7.3
183.05005	5.8
185.01346	5.8
185.02943	33.8
187.00890	10.3
187.04535	7.5
189.00766	8.8
189.02464	6.5
196.03949	19.0
196.99350	10.6
197.02946	7.6
199.00960	5.0
201.00677	13.8
201.02533	8.8
203.04036	24.5
205.04533	44.7
205.54625	8.5
209.03055	4.2
213.03320	8.2
213.53525	6.0
214.05217	16.4
215.00366	26.4
215.04045	11.9
219.01828	12.7
221.05038	8.6
227.03944	5.0
228.05486	4.7
229.01973	12.3
230.98058	4.7
231.03619	7.9
245.05061	24.7
246.06581	6.3
247.02950	22.6
248.99225	7.0
251.00716	6.9
251.04344	5.9
256.06021	9.8
257.05075	14.1
263.06158	9.8
269.05255	4.2
271.02969	5.0
277.06537	6.8
278.07956	9.5
283.10480	5.1
286.07162	42.3
286.57013	7.2
287.06055	5.6
289.04108	12.1
291.03879	6.2
294.06052	3.6
294.56219	9.7
301.11215	7.0
307.05139	7.5
309.04605	5.3
309.12454	4.2
317.03180	5.6
319.05179	6.1
319.12399	7.6
329.07401	4.5
347.08194	43.8
349.06189	33.9
350.06448	3.9
365.04089	4.0
365.09109	10.6
365.13211	7.0
369.69150	3.6
379.07434	4.2
407.04950	18.0
407.10025	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	1.7
69.50370	2.3
70.06609	0.6
85.02914	0.9
86.09715	0.6
106.02908	0.4
107.08582	0.4
108.25658	0.3
121.06538	0.5
121.14386	0.3
124.03980	1.8
125.04314	0.7
125.09652	0.3
126.89552	0.3
127.03988	0.4
133.10155	0.9
150.22656	0.3
187.55617	0.3
189.87479	0.4
203.05281	2.1
209.11626	0.6
211.13225	0.6
227.08241	0.5
245.09201	1.7
269.08612	0.4
286.72534	0.3
297.08624	0.7
312.75592	0.3
371.16776	5.6
389.13599	0.7
407.14478	100.0
408.14774	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32315	2.2
55.05523	3.0
58.06605	5.1
67.05502	2.9
68.75155	2.1
69.03450	14.9
70.06604	2.6
70.73528	7.6
71.29073	2.3
79.05495	4.3
81.07082	15.0
81.07475	2.6
84.08118	3.3
93.07050	8.8
96.73873	3.1
98.21468	3.3
102.07173	2.3
105.07010	3.4
107.08590	8.5
109.06524	12.0
118.96836	2.5
123.11729	7.8
133.10129	4.2
151.11203	100.0
161.06003	2.9
167.07014	2.8
181.00633	2.8
182.09441	3.0
209.08136	6.0
210.08934	7.8
236.60562	2.6
300.29108	6.1
387.78876	2.8
406.35474	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01875	1.8
55.05508	1.9
57.03432	2.6
57.07074	0.8
58.06591	0.9
61.02922	2.7
67.05495	3.3
69.03437	3.9
69.07059	3.1
69.26914	6.1
70.06586	3.3
71.05000	6.8
72.08155	0.9
76.02222	3.1
79.05510	4.6
81.03424	6.7
81.07061	9.4
83.01273	0.8
83.04981	1.4
83.08597	1.6
84.04493	3.1
84.08137	2.3
85.02431	1.3
85.02909	15.6
85.06541	1.6
86.09698	1.7
87.04430	0.8
89.06018	3.2
91.05469	6.1
93.07050	8.6
95.04969	3.0
95.08058	1.2
95.08623	11.9
97.02911	3.7
97.06531	3.1
105.07039	17.8
107.04964	1.3
107.08610	12.8
109.02916	1.1
109.06503	1.2
109.10136	2.2
111.08076	1.9
115.07563	1.8
116.01678	1.0
117.07018	2.7
119.08588	13.7
120.08150	1.1
121.10152	100.0
122.02716	1.7
123.08067	2.8
123.11692	4.6
124.04008	1.2
127.03895	2.2
129.10262	0.9
130.06538	0.9
131.08582	15.3
133.10147	14.1
134.10527	0.8
135.08061	2.8
135.11682	8.8
139.11201	2.4
143.08571	1.8
145.04953	2.2
145.10123	7.9
147.04390	1.3
147.11681	7.8
149.09650	1.2
149.13260	2.4
151.11212	1.1
156.08444	1.6
157.10121	1.3
158.10907	9.7
161.13284	6.3
162.02188	2.2
163.07533	1.4
163.14803	6.7
163.19897	0.7
166.08675	1.2
166.40701	0.8
167.07050	3.4
173.13275	57.0
175.11169	0.9
179.04990	0.9
191.14319	48.4
193.12230	4.7
194.08243	0.8
209.11685	0.9
209.15384	23.7
227.09108	2.1
227.16431	39.1
259.11182	6.2
267.15842	1.7
285.12479	1.0
285.16928	2.4
303.72244	1.0
310.63870	0.8
357.11011	1.2
388.13779	1.6
388.23242	1.2
389.13535	2.9
406.17480	1.0
407.14401	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84941	1.7
53.03950	1.6
55.05518	17.7
57.07072	2.4
59.70695	1.7
61.01411	1.4
63.52359	1.5
66.69384	1.8
67.05501	7.3
68.19658	1.5
69.03434	5.7
69.07085	3.4
69.61518	6.6
69.61951	4.2
70.06603	9.3
71.04985	4.5
72.08157	1.7
74.06091	4.2
75.05232	1.6
79.05505	4.7
81.03437	3.5
81.07072	20.3
83.04996	23.2
83.08630	13.7
84.04516	3.1
84.08158	2.5
85.02914	14.8
85.06545	1.9
86.09680	2.1
91.05501	5.1
91.58670	1.5
93.07062	14.7
95.04974	4.0
95.06100	5.6
95.08612	9.4
97.02897	3.7
97.06548	1.5
97.10188	3.2
99.04482	1.5
99.08091	2.3
100.04820	1.9
105.07032	10.5
106.02937	4.7
107.08607	23.7
109.02898	2.2
109.06532	4.4
109.10143	9.6
110.07224	2.1
111.08082	4.4
115.07610	2.1
116.07104	13.4
116.07804	2.6
119.08572	5.2
120.08175	1.7
121.02882	1.8
121.06498	4.5
121.10160	13.2
123.08077	2.5
123.11720	21.3
124.03958	8.3
125.09647	4.6
127.03916	2.3
131.08574	9.8
133.10152	25.0
135.08058	6.1
135.11679	3.9
136.97247	1.5
139.11237	2.2
145.04988	1.8
145.10173	3.6
147.11700	2.9
149.09639	4.1
149.13300	7.0
151.03929	1.9
151.11206	50.9
158.10960	3.2
163.14844	8.7
167.14336	20.5
169.12260	22.4
173.13283	20.9
181.04967	4.6
181.12228	3.3
182.05406	2.1
187.64653	1.8
191.14326	38.2
192.07170	1.5
209.15392	100.0
211.14581	2.4
227.16473	28.0
234.08412	3.0
250.06972	1.7
259.11111	4.0
268.08063	2.2
300.19614	2.7
307.93088	1.6
344.27136	2.4
362.28076	7.7
371.20660	5.9
389.13596	1.7
406.14963	3.6
406.30624	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.05508	4.9
57.03422	2.8
58.06595	2.7
58.66707	1.9
61.02915	4.9
66.43736	1.5
67.05499	6.6
69.03439	13.4
69.07061	11.9
69.33485	13.8
70.06596	2.2
71.05014	8.7
73.02946	1.9
75.81939	1.4
79.05495	10.5
81.03417	7.2
81.07058	13.5
83.04989	3.9
83.08612	5.6
85.02917	26.7
86.09710	2.0
87.04470	2.2
91.05470	6.4
93.07058	17.9
95.04958	2.9
95.08619	14.0
97.02895	9.5
97.06535	7.2
97.10159	5.4
99.04452	3.0
99.08125	2.0
99.43102	1.6
105.07062	9.2
107.04947	2.2
107.08608	33.5
109.02885	1.7
109.06541	8.3
109.10155	11.9
111.08103	5.7
115.07570	3.8
117.07005	3.3
119.08572	7.1
121.06509	6.4
121.10152	18.2
123.08076	4.1
123.11701	6.5
125.09614	11.6
127.03929	4.6
129.09120	2.0
131.08607	10.5
133.10126	15.2
135.08069	8.9
135.11690	6.2
136.57198	1.8
137.09567	3.6
139.11153	1.9
139.42004	1.7
145.04955	6.5
145.10139	4.7
147.11676	10.5
149.09631	11.5
149.13246	9.0
151.11212	6.6
153.09123	6.4
158.10938	2.1
161.13239	3.2
163.14868	14.0
165.12759	3.8
167.10712	2.1
171.99701	1.7
173.13272	16.6
177.05579	1.8
191.14333	32.1
197.74728	1.9
198.09113	2.1
209.11952	2.6
209.15369	61.4
227.16434	100.0
228.16687	1.9
232.42699	2.0
234.11140	2.3
244.04185	2.0
244.09732	8.6
271.11111	1.9
280.11734	9.1
326.74463	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51926	1.7
53.03955	2.3
55.01891	1.8
55.05503	2.5
61.02919	3.9
67.05511	3.0
69.03423	6.5
69.07047	6.6
71.04981	3.9
71.17059	2.3
75.66695	1.7
79.05505	5.8
81.03414	6.1
81.07062	16.6
82.48622	2.2
83.08592	3.0
85.02435	3.0
85.02913	33.7
86.87660	2.5
91.03932	3.1
91.05468	10.1
93.07051	17.2
95.04957	2.3
95.08615	13.7
97.02907	11.4
97.06526	3.5
99.04466	2.4
105.07043	23.7
107.08621	18.3
109.02901	2.2
109.10188	2.8
111.08091	4.5
115.07546	3.8
117.07021	8.3
119.08595	19.9
121.10126	11.5
123.11709	8.4
127.03909	9.1
131.08572	33.8
133.10130	15.4
135.08052	5.7
135.11690	11.2
143.08542	3.3
145.04929	5.5
145.10130	16.6
147.11667	6.9
149.09645	2.6
149.13252	4.0
158.10899	10.5
161.13245	11.0
163.11156	2.0
163.14861	26.6
173.13280	100.0
175.14854	5.4
191.14317	98.8
209.15366	25.7
227.16431	55.9
287.16302	3.6
332.60355	1.9
335.18375	2.0
371.20694	15.8
389.21729	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81204	0.4
55.05491	0.5
57.03421	0.4
61.02940	0.6
65.22892	0.4
67.17151	0.4
69.03427	1.6
69.69646	2.5
70.06594	1.3
71.05012	0.6
79.05499	0.9
81.03413	0.6
81.07053	0.5
84.08154	0.8
85.02909	4.0
86.82841	0.4
91.05493	1.2
95.04948	0.7
97.02888	1.1
97.06541	0.5
101.13468	0.5
105.07037	0.8
106.04205	0.6
107.04304	0.6
107.04975	7.0
107.08595	0.6
109.02888	0.7
109.06513	0.4
114.05562	0.5
115.05479	0.5
117.07028	2.9
117.14478	0.4
119.08595	0.6
121.06480	0.6
123.04426	1.6
124.04014	0.6
124.05195	0.6
127.03902	1.0
128.44305	0.4
140.04730	0.7
145.04993	0.7
145.06517	2.5
146.19232	0.5
149.09657	3.2
152.04668	1.1
155.07048	1.5
158.11832	0.5
163.07396	0.5
164.83672	0.4
167.07060	100.0
168.07510	0.7
177.05614	0.5
177.09134	12.4
180.08708	0.8
209.11751	25.6
222.82030	0.4
227.12825	15.8
234.65129	0.5
339.85529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53745	0.6
52.90351	0.6
53.03941	1.5
55.01878	1.3
55.05512	7.8
56.05022	3.5
57.03435	2.8
57.07078	0.7
58.99589	5.0
59.88803	0.6
61.01140	0.6
65.98325	0.6
66.64880	0.6
67.05539	0.8
68.05028	1.3
69.03422	2.2
69.07063	1.6
69.29096	0.6
70.06588	1.2
71.04991	2.2
71.08363	1.0
71.08699	1.5
74.00633	0.8
76.02238	11.6
76.04025	1.0
77.17441	0.6
79.05505	5.0
81.03430	2.4
81.07067	9.8
82.06589	36.9
83.04958	1.1
83.06121	0.8
84.04044	1.3
84.04514	16.0
84.08144	1.3
85.01142	1.9
85.02915	4.8
86.00645	1.3
86.99055	2.3
87.02694	2.2
88.02227	0.9
91.05470	1.6
93.07051	2.2
94.06583	1.5
95.04953	0.8
95.08605	1.6
96.08144	1.4
97.02915	1.8
97.06551	0.8
98.09705	5.7
99.08100	2.0
100.07655	1.3
102.05550	2.9
105.07071	3.2
107.04947	1.6
107.08630	3.8
109.02914	3.5
110.09703	1.2
112.03967	1.2
112.07608	1.2
113.04230	3.5
115.05803	1.5
116.01691	12.7
116.02467	0.6
117.07023	0.8
121.06514	2.3
121.10137	1.1
122.09657	1.0
123.08093	0.8
124.07615	5.0
127.03924	3.2
127.05753	0.9
128.07092	100.0
129.06599	1.6
130.05014	3.1
130.06886	1.9
131.08582	15.2
139.05800	1.0
139.55267	0.7
140.07085	2.3
142.03241	0.8
142.08647	7.5
144.01181	4.2
145.04961	1.6
145.10143	4.5
149.09642	6.9
153.05453	1.3
156.08467	9.5
156.10207	7.0
157.06824	4.6
162.02228	10.7
163.11176	2.2
167.07092	2.9
168.06636	2.3
170.08195	0.7
174.09488	7.1
179.04868	4.3
186.07703	1.3
187.06023	2.5
188.09198	10.9
191.10713	5.1
205.07103	1.5
209.11755	27.8
216.06984	2.6
230.10466	1.0
233.05800	0.8
251.47711	0.7
259.11145	56.1
260.09448	0.9
261.13605	1.0
277.12244	1.2
285.12732	1.9
296.11395	2.8
304.14014	0.8
313.12344	1.7
314.12341	7.1
316.21478	0.7
331.13174	4.7
332.13446	21.1
359.13623	0.7
388.15381	1.5
406.16394	2.0
406.20834	16.7
434.02179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
55.05506	2.1
57.03424	1.6
58.06604	3.0
67.05499	2.6
69.03426	3.9
69.07076	6.4
70.06588	3.8
71.04982	4.9
71.52959	2.0
72.08153	2.4
79.05496	9.5
81.03430	2.2
81.07047	4.6
83.04971	2.6
84.04567	1.6
84.08166	1.8
85.02904	3.4
86.09699	2.1
86.24531	1.2
88.88722	1.4
91.05483	6.6
93.07048	9.4
95.04994	2.4
95.08614	3.0
97.02902	1.3
97.06522	5.3
99.04417	2.0
105.07044	8.4
106.02895	3.5
107.04942	3.9
107.08596	17.1
109.02905	1.5
109.06502	1.7
110.07158	3.5
111.04456	1.5
113.05930	1.2
114.05519	4.9
117.07031	3.4
119.08549	2.5
121.02885	19.3
121.06526	11.9
121.10149	11.5
124.03957	6.3
125.05988	4.1
127.03944	1.6
129.06995	1.3
131.08582	56.3
135.08089	2.5
135.11676	1.4
137.06027	1.8
145.10127	17.0
147.04459	1.9
147.11763	1.4
149.09639	22.5
153.05432	4.2
156.07651	2.9
160.07635	2.0
163.11203	8.5
165.09123	3.3
167.07050	4.4
167.10677	1.6
173.09612	5.0
187.11215	2.9
191.10655	19.7
191.14349	1.8
205.12267	1.5
209.11752	100.0
210.12061	1.9
215.10606	3.2
222.27888	1.2
227.09084	2.3
268.08087	2.6
300.10782	1.6
316.05276	1.7
371.24237	1.4
388.13791	3.3
406.10806	1.4
406.19141	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	406.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.3
56.05035	0.2
57.03426	0.5
57.07082	0.4
58.45121	0.2
58.99593	0.4
67.04258	0.4
69.03442	1.2
69.91169	1.1
76.02235	1.0
79.05482	0.2
80.00954	0.2
81.03387	0.4
81.07072	0.7
82.06593	15.5
83.07387	0.3
84.04516	1.1
85.01136	0.2
85.02908	1.3
86.99113	0.3
97.02893	0.3
98.09704	0.5
98.20883	0.3
99.04457	0.3
100.07629	4.1
103.92462	0.2
109.02867	0.2
113.04273	0.3
116.01698	0.9
127.03926	0.4
128.07098	100.0
129.07417	0.5
139.05922	0.2
141.05484	1.4
142.08614	1.7
144.01096	0.3
145.04984	0.2
156.08447	0.8
156.10271	0.6
157.06833	0.2
162.02293	0.6
168.06630	0.2
174.09489	0.8
179.04903	0.4
188.09222	3.6
189.05661	0.3
209.11787	0.7
216.06877	0.3
230.10376	0.2
259.08463	0.2
259.11124	5.0
286.12997	0.4
296.11310	0.5
314.12411	1.3
318.51566	0.3
332.13428	7.4
360.20218	0.6
406.16202	0.8
406.20758	16.3
425.96283	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01867	2.2
55.05497	3.6
56.05031	1.7
57.03421	3.8
57.07069	3.0
58.06572	1.3
59.10768	1.1
60.84967	1.2
61.02930	2.7
61.98001	1.1
67.05500	10.6
69.03433	6.6
69.07066	1.8
70.06587	2.2
70.69971	3.0
71.04995	7.7
72.08161	1.2
72.76289	1.4
76.02222	3.1
79.05494	12.2
81.03396	2.1
81.07034	5.0
82.06573	4.1
83.04971	2.2
84.04487	5.9
84.08133	3.7
85.02438	1.6
85.02912	20.1
85.06548	59.8
86.00636	1.4
86.09676	2.1
86.61247	1.2
87.04464	3.2
91.05473	4.9
93.07057	7.3
95.08588	1.5
97.02885	4.7
97.06507	1.5
98.09673	1.4
99.04433	2.0
99.08076	3.8
105.07047	6.8
107.04957	6.1
107.08588	11.0
109.02871	4.1
109.06480	2.2
111.04436	5.4
116.01681	4.5
117.06993	1.7
119.08578	10.8
121.06509	6.8
121.10154	12.1
121.45639	1.2
123.04405	1.8
123.11729	2.2
125.05967	4.3
127.03918	5.4
128.07069	14.3
129.06992	3.1
130.04977	1.6
131.08571	36.3
132.80852	1.3
133.10109	1.9
135.07988	1.6
135.11671	2.9
137.06009	1.4
137.09605	3.5
138.67259	1.3
145.05013	2.2
145.10129	16.9
147.08054	4.0
149.08426	1.8
149.09624	33.2
153.05501	2.6
156.08403	3.1
156.10187	1.7
162.02142	3.5
163.07544	1.8
163.11179	10.6
165.09148	6.0
167.07043	1.5
167.10698	16.9
173.09598	4.0
173.13269	1.5
191.10681	36.1
191.14349	1.5
205.06963	2.7
209.11746	53.0
227.12788	100.0
227.16431	4.3
259.11090	14.4
332.13336	1.4
406.15308	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01878	1.8
55.05507	1.6
56.31182	1.1
57.03433	4.1
57.07072	1.2
61.02917	1.7
63.99141	0.9
67.05503	2.9
69.03435	7.6
69.07086	5.5
70.06602	1.9
71.04993	9.6
73.02913	1.5
75.02304	0.9
79.05495	12.3
81.03416	3.3
81.07075	7.1
83.04986	4.0
85.02914	20.1
85.06554	2.1
86.09711	1.2
91.04009	1.2
91.05493	7.9
91.25443	1.0
93.07050	14.8
95.04967	2.5
95.08627	6.3
97.02914	6.3
97.06535	2.8
99.04475	2.4
105.07045	11.8
106.02909	1.8
107.04965	5.9
107.08614	17.7
109.06528	2.8
109.10163	1.1
111.04411	1.8
111.08110	1.1
114.17777	0.9
115.07463	1.2
117.07016	3.7
119.08601	5.9
121.06509	17.6
121.10167	13.6
123.08099	2.0
123.11704	3.7
124.03963	2.4
125.06037	1.5
127.03925	3.5
129.07001	1.7
131.08583	33.1
133.10156	7.6
135.08047	2.7
135.11722	4.2
137.05986	1.2
139.07550	1.7
141.05547	1.2
143.08539	1.1
145.04987	2.2
145.10130	14.5
147.04321	1.1
147.11731	2.4
149.09634	27.4
149.10760	2.0
153.05505	4.4
158.06360	1.6
158.10931	2.2
161.13249	3.0
163.11198	9.8
163.14879	6.2
165.09160	2.4
167.07030	2.1
167.10649	3.7
173.13286	21.5
173.14703	1.5
175.14902	1.3
191.10701	17.1
191.14331	22.1
209.11752	100.0
209.15369	8.1
227.12894	9.0
227.16469	16.3
244.09691	2.3
245.98346	1.1
250.07140	1.2
268.08087	1.1
371.20755	3.7
389.21606	6.6
414.28824	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05503	0.9
56.05037	0.6
57.29828	0.3
58.06604	0.6
65.03940	0.5
67.05511	3.8
69.03424	0.5
69.19122	0.6
69.19527	2.6
71.07388	1.7
72.07813	0.3
72.08166	3.9
75.03179	0.3
75.59463	0.3
79.05073	0.5
79.05500	7.7
81.03406	1.2
81.07064	2.1
81.10378	0.3
91.05487	6.3
93.07040	1.7
95.04449	0.4
95.04974	1.8
95.08593	0.5
96.05738	0.4
97.06561	0.4
100.17304	0.3
103.05486	1.7
105.03363	0.6
105.07037	8.6
106.07816	0.7
107.04934	1.0
107.08612	3.1
115.05448	0.8
117.07030	3.1
119.08589	1.8
124.07625	0.3
128.06209	0.5
129.07024	1.2
130.07799	0.8
131.04915	1.3
131.08572	2.7
133.02859	1.1
133.06493	1.2
133.10143	0.5
135.08141	0.8
139.09944	0.9
141.07005	0.8
145.02859	0.9
145.06526	1.2
145.10130	4.7
146.10902	0.8
147.04425	0.4
147.08054	0.7
147.11699	2.7
155.08604	0.5
159.04431	2.1
161.02394	3.5
163.03955	2.8
165.07008	0.6
170.14037	0.3
173.02359	4.3
173.05997	1.1
173.09662	2.9
175.11201	1.2
179.08542	0.3
185.06042	0.5
187.03920	100.0
188.04288	0.8
189.05438	0.8
193.40936	0.3
197.05965	1.0
199.03976	0.5
199.07584	0.4
201.05486	2.6
205.83943	0.3
211.03842	0.4
211.07617	0.7
213.05438	1.0
215.07005	0.4
221.05939	0.4
225.09203	0.5
239.07085	3.9
241.05089	0.3
241.08591	0.7
244.16982	1.6
246.18599	2.9
249.09225	0.6
255.06522	0.4
258.11301	0.4
267.07150	0.4
267.10150	1.4
307.13202	0.4
317.11667	0.7
335.12738	3.7
388.19067	1.0
406.20151	30.5
407.20364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84672	0.7
53.03943	0.9
55.01859	2.7
55.05521	3.9
56.05039	5.9
57.03436	3.9
58.06597	0.7
58.99343	0.7
58.99592	8.9
62.46875	0.7
67.05495	1.2
68.05026	1.0
69.03433	1.0
69.07074	1.8
70.06587	2.1
70.67307	1.4
70.67677	1.6
71.04973	2.1
72.08136	0.8
72.15821	0.6
73.01131	1.1
74.00660	1.8
76.02231	17.1
76.04000	2.1
79.05508	6.4
81.03407	2.0
81.07067	16.4
82.06585	8.4
83.04988	0.9
83.06108	2.1
84.04507	22.7
84.08136	2.1
85.01163	3.5
85.02894	2.5
86.00645	3.9
86.09710	0.9
86.99062	5.6
87.02688	4.7
88.02223	1.5
90.47617	0.9
91.05464	1.6
93.07053	4.0
95.04990	1.0
95.08599	2.6
96.08124	1.5
97.02882	1.2
97.06544	1.7
98.09695	12.3
99.08105	4.3
102.05530	2.6
105.07039	4.4
107.04954	1.1
107.08600	4.4
110.07127	0.9
110.09678	2.5
111.08073	0.9
111.18456	0.7
112.03971	2.0
112.07620	1.0
113.04242	5.5
114.03709	0.8
115.05820	1.6
116.01686	21.2
121.06529	4.6
121.10139	3.1
122.09676	1.2
123.08054	1.7
124.07599	1.0
127.03995	0.9
127.05802	1.3
127.36169	0.7
128.07085	22.7
129.06602	2.6
130.04997	5.8
130.06898	5.3
130.08659	1.6
131.08575	21.6
135.04416	0.7
135.08066	0.9
139.05722	1.6
142.03236	1.6
142.08649	1.2
143.02733	1.2
144.01172	8.2
144.52010	0.7
145.10120	4.0
149.09631	8.2
153.05441	1.5
156.08424	18.1
156.10197	10.7
157.06813	7.8
162.02237	20.4
163.11182	2.8
165.09215	1.1
166.42326	0.7
167.07040	8.4
168.06555	0.8
170.02747	1.6
174.09491	13.5
179.04855	8.4
188.09195	3.0
189.03290	1.9
190.55679	0.8
191.10698	6.8
205.06947	0.8
209.08014	1.7
209.11731	38.2
210.11287	1.8
210.81047	0.8
213.10669	0.9
216.06914	4.6
227.09071	3.5
233.05913	2.2
242.08517	1.3
259.11133	100.0
260.09283	1.6
277.12155	1.8
285.12634	2.5
296.11429	1.1
313.12094	3.7
314.12396	1.3
331.13263	5.5
332.13498	5.1
334.60693	1.1
388.15359	1.6
393.77969	0.7
406.16339	6.1
406.20917	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	406.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.3
55.01882	11.1
57.03437	7.9
58.06607	14.8
60.04509	2.0
61.02930	7.5
68.99789	3.3
69.03440	37.5
69.95955	4.7
69.96358	7.4
70.06599	5.8
71.04998	5.3
72.08172	2.4
73.02914	9.1
81.03426	41.5
81.07076	3.7
83.01385	1.9
84.04519	3.3
84.08154	5.1
85.02912	100.0
87.00836	39.1
91.05480	2.7
97.02901	42.6
98.06046	4.9
99.04477	21.0
103.03963	6.3
105.01878	38.2
106.02926	2.7
108.04528	5.1
109.02892	78.6
110.52174	2.0
117.01865	5.0
121.02821	2.7
123.04444	3.4
124.03980	8.5
126.05504	3.6
127.03926	74.1
128.07124	2.3
129.01859	5.7
131.04965	2.1
133.02840	5.1
141.05493	37.1
145.03064	2.0
145.04971	44.0
147.02892	5.8
147.04439	5.7
151.03897	3.6
152.07083	6.0
159.02916	24.0
163.03915	4.0
163.14616	2.4
165.05486	18.4
171.02942	3.3
177.05440	4.5
179.07057	2.6
183.06613	2.4
189.03993	14.2
189.05481	3.1
191.07117	2.6
203.07303	2.3
207.06541	14.0
213.03998	2.1
231.04749	12.9
231.06932	4.3
248.07414	3.4
249.07622	14.2
268.07956	2.2
270.08521	2.5
278.10226	3.9
406.15231	4.7
433.45456	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.4
51.02378	0.8
53.03942	1.5
55.01870	0.5
55.05505	1.0
56.04272	0.3
57.03438	0.8
58.06601	0.5
61.02919	0.3
67.05497	0.9
69.03435	4.8
69.07056	1.2
69.43646	2.3
70.06593	1.5
71.04993	1.5
72.08146	0.7
73.02913	0.6
75.36462	0.3
78.03460	8.6
79.05488	1.2
80.05025	2.8
81.03419	6.7
81.07065	1.8
83.04974	0.3
83.06145	0.3
83.08647	0.3
84.04472	0.4
84.08144	0.9
85.02912	5.9
85.06562	0.4
86.09734	1.5
87.04461	0.5
91.05487	2.9
91.27095	0.3
93.07047	5.2
95.04993	1.5
95.06110	1.3
95.08614	3.2
96.04498	3.8
97.02891	3.2
97.06534	1.3
99.04446	1.5
99.08077	0.6
103.05473	2.3
105.07032	1.7
106.02922	36.6
107.03256	0.4
107.08600	3.0
109.02888	5.6
109.06519	0.8
109.10167	1.6
110.07141	0.4
111.04439	0.3
111.08106	0.6
113.00600	0.5
116.07122	0.4
119.08561	1.0
120.08074	0.3
121.06517	17.6
121.10155	3.0
123.08114	0.6
123.11694	0.8
124.03963	100.0
125.04304	1.0
125.09649	0.7
127.03923	4.5
131.08592	1.7
133.10139	12.7
135.08057	1.0
135.11691	0.9
137.06017	0.4
137.09641	0.4
145.04941	0.7
145.10120	1.3
147.11702	1.2
149.09628	1.0
149.13275	1.3
151.11163	2.7
153.09119	0.4
158.10944	0.8
159.07903	0.3
161.13445	0.3
163.11200	0.4
163.14844	1.5
164.14352	0.3
166.05025	1.1
173.13269	4.7
190.13057	0.5
191.14325	9.1
196.06030	0.3
202.05013	0.4
207.13759	0.4
208.06171	0.7
209.13483	0.5
209.15390	7.1
211.14444	0.4
226.07082	0.5
227.16444	4.0
232.06108	1.7
244.09888	0.3
244.13754	0.3
250.07126	17.2
259.11169	0.8
268.08188	16.5
269.08823	0.5
286.09225	1.2
297.10220	0.3
344.27063	0.5
362.27963	1.0
389.13492	0.7
406.14993	26.8
406.30579	1.8
407.15286	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.373
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
52.56868	0.9
55.05512	5.3
57.07079	9.2
67.05505	1.7
69.03442	1.0
69.07076	8.4
69.18644	8.2
69.23254	0.8
71.08640	4.5
71.27992	0.8
81.07063	1.5
81.34897	0.7
82.56100	0.7
83.01357	5.0
83.08624	5.9
85.06529	0.9
85.10185	3.4
93.07037	5.6
95.08627	4.4
97.06548	2.8
97.10180	4.4
107.08611	2.8
111.08121	4.3
111.11655	1.4
121.06535	1.4
121.10155	3.0
123.08052	2.4
125.06017	4.7
125.09637	4.2
127.07551	2.4
135.08034	1.3
135.11708	1.2
137.09654	1.6
139.07558	16.6
139.11215	2.7
146.41718	0.8
151.11194	2.9
153.09106	5.0
153.12733	2.0
159.11728	1.2
163.11224	1.1
165.12729	1.1
167.10710	6.3
181.12250	8.8
191.14188	1.1
195.13914	5.7
209.15378	6.5
223.17003	2.4
237.18449	1.9
251.20135	2.2
265.21704	1.6
274.96530	0.8
279.23340	2.1
282.60028	0.8
293.24643	1.2
315.19016	0.9
387.36261	1.7
405.37320	100.0
406.37781	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.5
50.04718	0.5
51.02377	1.3
53.03952	5.8
55.01876	1.1
56.22443	0.5
57.03440	1.3
69.03085	1.0
69.03439	14.1
70.69321	0.7
70.69648	1.1
71.01323	0.6
71.04982	1.8
73.02916	1.2
78.03466	21.5
80.05024	2.8
81.03429	36.1
84.04484	0.5
85.02921	8.1
93.07034	0.9
96.04502	2.7
97.02904	9.0
99.04479	4.8
103.69763	0.5
106.02930	66.2
109.02892	21.9
120.08121	0.7
121.02895	2.0
121.10158	0.7
124.03968	100.0
125.04382	0.7
127.03939	10.8
130.34050	0.5
139.03870	1.3
145.05003	1.4
174.05537	1.4
196.06055	0.9
209.15521	1.3
224.80173	0.5
228.10266	2.3
232.06148	0.6
244.09816	1.4
246.11409	0.6
250.07141	54.1
251.07492	1.1
268.08197	38.7
269.08292	0.9
275.64767	0.5
279.09265	0.7
301.56445	0.5
406.15155	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2641
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.00333	2.7
53.03950	7.9
54.35833	2.5
55.01876	12.3
55.05516	33.8
57.03428	11.7
57.07070	3.2
65.03942	3.5
67.05515	74.2
69.03441	40.2
69.07086	29.2
71.01361	2.9
71.04992	8.2
71.52827	3.2
73.02927	3.3
79.05077	4.2
79.05503	65.4
81.03436	29.0
81.07066	84.4
83.04985	16.8
83.08629	14.8
85.02926	12.2
85.06536	3.8
91.04914	3.5
91.05491	71.3
93.07052	72.8
95.05000	18.9
95.08617	59.3
97.02898	12.1
97.06510	8.4
97.10159	5.4
99.04465	5.2
103.05470	4.0
105.07043	66.3
107.04990	15.0
107.08614	44.2
109.02884	7.1
109.06521	10.5
109.10163	24.1
111.04461	17.6
111.08108	6.1
115.05450	6.5
117.07024	38.0
119.07815	4.2
119.08598	57.8
121.06508	9.9
121.10152	34.3
123.04448	6.4
123.08083	7.4
123.11729	10.2
125.06008	3.2
125.09620	3.1
127.03922	5.3
128.06264	5.6
129.07022	26.6
131.04950	3.2
131.08583	53.8
133.06493	11.3
133.10138	42.9
135.04405	3.1
135.08104	8.3
135.11688	25.9
137.06001	3.4
137.09634	6.5
141.07007	6.6
142.07787	8.7
143.08577	29.5
144.10962	2.6
145.06512	6.5
145.10136	40.6
147.08122	12.4
147.11720	29.6
149.09656	9.9
149.13252	11.0
151.07581	4.1
151.11200	2.8
153.07051	2.7
155.08569	13.8
157.06468	3.5
157.10158	21.8
159.08035	9.4
159.11716	32.7
161.05997	3.1
161.09656	7.6
161.13293	11.9
163.07521	4.3
163.11214	7.4
163.14856	5.8
165.09119	3.9
167.08542	4.4
169.10094	15.5
171.08087	7.6
171.11702	18.6
173.09601	7.9
173.13272	21.0
175.11153	6.9
175.14787	7.6
177.09099	3.6
179.08521	3.3
181.08711	3.8
181.10139	7.9
183.08061	4.5
183.11722	12.6
185.09738	7.0
185.13312	10.2
187.07593	2.9
187.11211	6.3
187.14816	6.0
189.12756	7.0
193.12386	3.0
195.11691	6.5
197.09575	2.8
197.13275	10.7
199.11198	6.9
199.14839	17.3
201.12808	5.7
201.16322	4.0
203.14345	5.4
203.17914	2.8
207.11726	3.9
209.13391	5.1
211.11147	4.1
211.14857	3.6
213.12762	7.3
213.16411	5.9
213.22389	3.0
215.14258	4.4
217.12215	3.1
223.14883	3.6
225.12756	4.3
227.14488	4.6
231.13872	3.2
253.19487	3.9
259.20721	6.8
267.20703	2.8
271.20621	3.7
273.22134	12.6
275.20065	3.4
277.21661	8.8
279.23257	3.1
283.20413	2.8
285.18939	3.2
285.22119	6.2
287.23737	3.6
289.21658	8.7
291.23203	7.3
299.20096	3.4
301.21661	9.3
303.23218	10.4
313.21616	6.4
315.23376	12.5
319.22760	9.0
323.23669	4.7
327.23285	11.1
331.22662	8.9
339.23022	3.0
341.24704	13.1
345.24237	10.8
351.23260	19.8
359.25861	7.9
369.24304	52.0
387.25345	72.3
405.26364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.264
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03942	10.0
55.01872	10.6
55.05521	26.6
56.25719	3.1
57.03432	10.0
57.07063	5.8
65.03930	4.5
67.05510	71.6
67.30643	2.8
69.03144	3.4
69.03442	43.2
69.07066	31.9
69.32177	28.1
70.80738	2.6
71.01340	3.9
71.02148	3.0
71.04990	5.2
71.08606	4.2
71.59512	3.0
79.05500	61.6
81.03438	26.1
81.06587	6.1
81.07063	83.0
83.04983	18.7
83.08616	10.2
85.02900	12.3
85.06544	3.6
85.50823	3.3
91.05479	63.7
93.07050	67.5
95.04952	16.2
95.08613	61.9
97.02918	15.4
97.06517	8.4
97.10182	10.4
97.47850	2.8
99.04436	4.8
103.05466	3.7
105.07037	72.7
107.04963	11.6
107.08601	40.4
108.21724	2.9
109.02910	5.8
109.06516	13.6
109.10175	28.6
111.04442	16.4
111.08047	4.0
115.03886	2.9
115.05420	5.1
117.07026	36.2
119.04961	3.7
119.08598	48.6
121.06498	7.3
121.10148	28.3
123.04455	3.9
123.08084	9.6
123.11738	6.4
125.09652	3.0
127.03886	5.5
128.06226	9.3
129.05476	8.8
129.07031	19.4
130.07739	3.1
131.04971	3.0
131.08583	47.8
133.06482	12.0
133.10153	39.9
135.08070	8.8
135.11688	22.4
137.05995	4.3
137.09656	6.5
139.07521	4.5
139.11147	3.2
141.06966	7.9
143.08601	21.5
145.06467	6.7
145.10129	37.1
147.08075	12.7
147.11687	28.4
149.09625	9.7
149.13264	11.5
151.07509	4.7
151.11203	5.4
153.09152	3.3
155.08533	8.1
156.09406	4.5
157.06531	3.9
157.10129	22.4
159.08131	7.8
159.11682	34.5
161.09608	9.8
161.13257	15.2
163.11168	6.5
163.14806	4.5
167.08606	4.1
169.10152	14.1
171.08121	5.5
171.11736	16.9
173.09628	6.0
173.13300	18.4
175.11259	7.3
175.14879	4.7
179.10634	3.1
181.10149	7.1
183.11711	12.4
185.09512	6.7
185.13243	12.4
187.11217	7.1
187.14868	8.6
189.09169	4.3
195.11754	4.5
197.13332	6.2
199.11163	5.0
199.14819	6.4
201.12781	7.9
203.14247	4.1
207.11673	3.7
209.13417	4.1
211.11171	4.9
211.14763	3.4
215.14326	5.9
225.12968	4.0
226.05002	3.0
227.14194	5.8
231.17401	5.0
259.20663	5.8
261.22253	6.1
271.20587	4.1
273.22159	11.8
277.21597	6.1
285.18979	3.1
285.22131	6.5
289.21655	5.5
291.22964	5.7
301.21695	9.2
303.23135	11.5
313.21671	7.0
315.23129	14.3
319.22794	13.3
327.23090	9.4
331.22681	4.3
333.24823	3.6
341.24771	12.8
342.25409	3.3
345.24170	6.7
351.23132	19.4
359.25797	7.8
369.24231	64.1
387.25360	69.3
392.69403	3.9
405.26343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2123
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
53.03940	5.1
53.45070	3.1
55.01873	4.6
55.05507	6.5
57.03436	3.4
58.06596	9.0
60.04517	8.5
61.02940	5.0
67.05502	7.2
69.03441	13.8
69.07040	5.3
69.71944	6.0
69.72334	5.3
70.06607	14.7
71.04977	3.7
72.08158	35.7
74.06087	6.6
75.35642	2.7
79.05487	6.7
81.03424	7.2
81.07045	10.6
84.04520	3.7
84.08134	15.2
85.02505	3.3
85.02912	34.9
86.03229	3.9
86.09699	11.8
87.00858	3.5
87.04467	5.4
87.05586	2.9
91.05470	3.3
93.07044	9.8
95.04981	89.4
95.08597	5.7
97.02913	14.7
98.21468	5.4
98.97575	7.1
99.04452	11.5
105.01859	7.9
105.07023	8.6
106.05025	4.2
107.08616	4.3
109.02847	8.0
109.06505	8.5
109.10176	4.5
115.03952	12.7
116.98585	4.3
119.08579	8.2
121.02885	34.9
121.06503	8.1
121.10146	6.2
123.08064	7.1
123.11704	8.6
124.03972	4.0
125.05997	5.5
127.03938	7.5
128.04338	3.3
129.10263	3.8
133.10127	9.0
137.05992	15.7
139.03979	3.5
139.07579	4.0
145.01701	3.0
145.04988	5.6
147.04381	4.0
147.11687	2.9
151.07526	25.3
151.11111	3.4
152.56340	2.8
159.11488	6.0
167.07042	3.2
169.04980	4.4
169.08612	25.6
171.11722	5.1
189.12756	8.3
194.07045	11.4
203.07436	18.6
207.13887	22.4
219.13461	4.1
225.14888	100.0
267.16022	4.4
269.08664	3.5
282.17804	3.0
283.08112	3.9
319.13544	10.8
361.14835	29.9
405.13766	84.8
406.14890	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	405.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46576	1.0
55.01868	3.8
55.05512	7.3
57.03436	4.9
57.07080	3.8
67.05518	6.6
69.03413	1.7
69.07072	8.9
70.96576	1.7
71.08649	1.9
71.65170	0.9
79.05500	3.8
81.06638	1.2
81.07061	9.6
83.08627	8.0
91.05486	3.7
93.07055	4.5
95.08614	6.4
97.06579	1.2
97.10166	5.5
105.07030	2.8
107.08582	4.5
109.06557	1.1
109.10156	2.4
111.08098	1.1
111.11736	2.4
113.00025	95.5
119.08588	3.4
121.10138	5.7
123.08050	1.1
123.11715	2.4
131.08600	2.0
132.11183	0.8
133.10120	2.4
135.11679	3.8
137.13150	1.0
143.08641	1.0
145.10117	2.3
147.11726	2.3
149.13239	1.3
157.10115	2.0
159.11714	1.8
161.13322	0.9
169.02625	100.0
171.11768	1.4
185.13203	1.4
189.16502	0.9
213.16487	1.6
219.21138	2.0
237.22177	5.0
363.31149	0.9
369.24500	1.9
387.25226	1.4
405.20633	1.5
405.26337	2.3
405.35104	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	405.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.2
55.05500	6.0
57.03440	2.5
60.56887	1.6
67.05496	6.4
69.03419	5.0
69.07056	8.2
70.06590	7.9
71.04984	3.2
71.43616	1.8
71.52344	2.1
71.60838	1.8
72.08179	9.5
72.08485	1.8
73.08501	2.4
79.05522	9.6
81.03405	6.5
81.07081	10.7
83.04961	5.2
83.08612	7.0
84.08173	2.8
85.02913	6.4
85.06567	2.2
86.09693	2.6
91.05472	9.1
93.07085	8.4
95.04980	5.2
95.08604	5.7
97.02914	5.0
97.06513	3.8
99.04427	2.2
99.08097	2.6
100.11249	1.9
105.07062	9.4
107.04947	6.3
107.08611	10.1
109.02884	3.1
109.10143	4.6
111.04455	2.6
115.05501	1.8
116.07085	7.7
117.06989	2.6
119.04944	2.2
119.08559	6.0
121.02791	2.3
121.06442	3.2
121.10124	7.5
123.04420	5.9
125.06010	2.5
125.09609	3.6
127.03966	2.7
128.06230	3.1
129.07010	5.2
131.04918	4.3
131.08542	8.4
133.06509	1.7
133.10115	3.2
135.08035	4.7
135.11736	4.4
137.05975	7.1
137.09569	4.4
139.03888	2.6
141.05495	2.2
143.08658	2.6
145.06493	8.2
145.10115	4.4
146.07262	3.7
147.04349	1.9
147.11674	4.3
149.02374	10.1
149.09561	2.8
151.03880	4.1
151.07550	31.3
153.05496	3.0
154.02655	24.0
157.04959	14.5
157.06487	9.5
158.07289	12.5
159.04468	2.8
159.08075	5.3
159.11661	4.3
160.05203	3.0
161.06003	4.1
163.03952	2.0
165.05405	4.8
165.06750	2.6
165.12724	4.8
166.02625	2.3
166.13130	5.0
167.07080	8.7
167.08331	2.1
169.04984	76.8
169.06334	2.5
171.08080	2.2
172.08824	10.2
173.05971	7.4
174.06723	7.6
175.07536	6.0
175.14810	1.9
176.08383	2.7
177.09052	8.7
181.04985	19.5
183.02911	2.4
185.04465	3.4
185.06007	2.5
186.06784	4.2
187.07478	3.2
188.08347	19.0
189.09126	37.4
193.04976	6.8
195.08131	3.1
196.08878	5.8
201.09125	100.0
201.16386	3.4
202.09831	6.2
203.07002	3.0
203.10689	22.1
207.13832	2.9
208.14108	5.2
211.05972	9.7
213.09047	2.9
214.09880	2.0
215.10815	2.5
219.08205	2.8
219.10144	8.3
219.17528	2.7
224.08275	4.8
225.06599	2.4
225.14850	3.1
227.10547	8.4
231.10202	39.2
233.08160	2.6
237.18475	5.3
239.08118	5.3
239.10568	2.9
245.12881	4.3
247.17014	2.4
250.09868	2.2
253.09755	2.8
255.10146	15.6
264.07968	2.4
265.08441	2.8
267.10458	2.5
278.09341	4.1
279.06430	2.9
281.09036	3.2
281.11835	2.5
291.06628	2.1
293.07944	4.1
294.08899	2.2
295.09619	4.2
299.10098	4.8
306.08957	2.0
309.08316	4.8
309.11395	4.4
323.09128	3.8
325.10825	5.0
326.11331	3.3
327.09549	7.8
329.11380	2.1
337.10867	15.7
338.11356	7.2
339.08566	3.5
341.13757	3.0
345.10776	18.7
351.12189	3.9
351.17899	5.5
354.10852	2.8
357.13397	9.7
369.13382	47.7
369.18533	3.7
373.10287	13.9
387.14478	14.8
405.15366	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	405.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.9
55.63469	0.8
57.60388	0.8
67.05496	2.7
69.03420	1.5
69.58352	4.0
70.06600	1.4
71.04982	1.6
72.08163	1.2
72.71661	0.7
79.05498	2.4
81.07063	2.4
83.04986	1.2
84.08131	0.8
85.02896	1.9
85.06528	1.3
89.26997	0.8
91.05502	1.8
93.07021	1.1
95.04991	1.1
95.08602	1.9
97.06523	1.2
98.21549	0.8
99.81018	0.8
105.07037	1.6
107.04995	1.8
107.08581	1.8
108.04455	0.8
108.08120	0.9
112.33390	0.8
119.08572	1.2
121.10130	2.3
123.04445	1.2
123.08063	3.3
124.08367	1.7
128.06259	1.2
131.08591	1.6
133.10150	1.2
135.11749	1.0
137.05989	3.4
145.06528	0.8
145.10129	1.2
147.04407	0.9
147.11636	0.8
151.03957	3.6
159.11713	0.9
163.07539	0.9
167.07001	3.6
175.07639	1.1
177.01741	1.0
179.03397	2.0
179.07051	1.1
181.04915	3.9
183.09244	1.3
189.10353	1.0
197.07108	10.8
197.10712	1.3
198.07745	1.8
199.08652	2.0
202.08780	0.9
207.09149	1.3
210.07756	1.1
211.08655	12.9
212.09409	1.7
213.10286	2.1
225.06644	18.3
225.10164	9.9
225.14793	1.1
226.07207	2.8
227.08151	3.0
227.11734	1.8
228.10107	1.9
229.09819	1.5
233.08105	2.4
235.08710	1.2
237.10156	0.9
239.04503	3.5
239.08145	34.1
240.08929	3.7
241.09618	1.3
243.07613	3.1
245.12852	20.0
253.06284	1.2
253.06859	1.4
253.09729	17.4
254.10324	1.4
255.07617	4.1
255.11287	2.7
257.05606	2.6
257.09262	9.3
259.10825	0.9
263.08475	0.9
265.09845	1.4
267.07678	18.4
268.08478	2.4
269.09207	1.7
271.07571	1.5
271.10806	9.3
273.08661	1.4
273.12204	1.0
281.09216	20.4
283.10638	2.5
285.08624	5.5
286.09616	0.9
289.11804	4.2
293.09244	3.1
295.07114	1.3
297.08734	2.5
299.06879	1.9
299.10272	30.9
301.11755	0.8
309.08707	25.5
311.10388	5.7
313.08185	1.5
317.11371	2.6
327.09769	54.8
329.11288	8.7
337.08240	2.8
345.10846	83.4
346.11169	1.8
355.09180	9.3
359.12408	1.4
369.18954	0.9
373.10324	100.0
374.10699	1.6
387.11441	4.2
405.12854	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.0
55.05524	20.0
57.03442	21.5
57.07080	5.9
67.05512	58.6
69.07062	15.5
69.38287	3.4
69.79977	20.6
70.06613	9.1
71.04973	6.6
71.08633	24.1
72.55750	3.6
74.09716	7.1
79.05501	29.6
81.03442	4.9
81.07072	62.3
83.04976	9.5
83.08619	12.1
84.37866	4.4
85.06534	6.2
91.05508	18.5
93.07050	57.9
95.04962	7.7
95.08628	27.3
97.06533	11.3
97.10188	10.9
99.08097	31.7
105.07035	16.9
107.08608	36.9
109.10179	14.6
111.08098	8.2
115.24255	3.8
116.07103	14.5
117.07025	8.5
119.08568	11.1
121.10151	17.5
125.09653	7.3
131.08560	9.8
133.10127	11.9
135.04385	5.9
135.11697	11.9
139.07703	4.4
139.11133	4.0
148.03120	3.6
149.13255	17.9
151.07513	4.1
151.11224	18.0
159.11736	16.8
161.13275	16.9
163.11214	12.2
171.11719	3.7
173.05887	3.7
173.11769	9.0
175.14824	3.8
177.12744	26.3
179.14363	11.8
189.11240	6.1
195.13867	10.7
203.10736	5.0
227.12712	8.3
229.14301	4.8
241.19366	4.8
259.20490	5.7
269.17508	100.0
277.21671	22.7
351.25317	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.0
55.05524	20.0
57.03442	21.5
57.07080	5.9
67.05512	58.6
69.07062	15.5
69.38287	3.4
69.79977	20.6
70.06613	9.1
71.04973	6.6
71.08633	24.1
72.55750	3.6
74.09716	7.1
79.05501	29.6
81.03442	4.9
81.07072	62.3
83.04976	9.5
83.08619	12.1
84.37866	4.4
85.06534	6.2
91.05508	18.5
93.07050	57.9
95.04962	7.7
95.08628	27.3
97.06533	11.3
97.10188	10.9
99.08097	31.7
105.07035	16.9
107.08608	36.9
109.10179	14.6
111.08098	8.2
115.24255	3.8
116.07103	14.5
117.07025	8.5
119.08568	11.1
121.10151	17.5
125.09653	7.3
131.08560	9.8
133.10127	11.9
135.04385	5.9
135.11697	11.9
139.07703	4.4
139.11133	4.0
148.03120	3.6
149.13255	17.9
151.07513	4.1
151.11224	18.0
159.11736	16.8
161.13275	16.9
163.11214	12.2
171.11719	3.7
173.05887	3.7
173.11769	9.0
175.14824	3.8
177.12744	26.3
179.14363	11.8
189.11240	6.1
195.13867	10.7
203.10736	5.0
227.12712	8.3
229.14301	4.8
241.19366	4.8
259.20490	5.7
269.17508	100.0
277.21671	22.7
351.25317	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35396	1.1
58.06597	3.2
59.04986	1.8
69.03421	4.5
70.06631	1.2
70.68516	2.1
71.04987	1.1
79.05495	2.1
81.07061	1.2
84.08141	1.1
85.02920	8.2
86.09713	1.4
87.00840	1.0
91.05492	8.4
93.07063	9.9
95.04976	3.0
95.08604	1.4
97.02909	3.2
97.06548	1.2
99.04494	1.1
103.86687	1.1
105.01825	1.2
105.07045	15.5
105.38843	1.1
107.08599	4.2
109.10158	2.2
117.07004	3.6
119.08604	28.5
119.09462	1.8
121.06514	3.5
121.10149	5.0
123.11715	4.4
127.03932	2.6
128.06223	1.7
129.07036	2.5
130.07803	2.6
131.08575	9.6
133.10168	5.3
135.08075	12.0
135.11719	1.4
137.09599	1.3
141.07008	2.3
142.07806	1.9
143.08537	6.2
145.04950	1.5
145.06470	2.0
145.10147	16.3
146.10881	2.1
147.08058	16.5
147.11700	38.6
149.09579	4.2
156.09331	15.7
159.08028	5.8
159.11700	2.2
160.08856	2.8
161.09593	5.8
161.13258	3.4
165.12738	2.2
169.05861	1.1
171.11688	23.9
172.54193	1.6
174.10405	15.2
175.03860	1.2
189.12756	100.0
193.75636	1.1
207.13820	44.0
225.14844	2.1
387.20227	2.2
404.17065	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03784	2.5
58.55784	3.0
62.84677	2.4
67.05503	5.8
69.03425	5.7
69.32709	23.2
71.04996	13.9
71.05324	3.0
72.20133	2.5
75.14422	2.5
75.26762	3.3
79.05505	3.6
81.03368	3.2
81.07034	6.7
83.08620	5.3
85.02937	12.5
86.51882	2.8
91.05476	7.0
93.07038	4.1
95.04971	4.9
95.08608	6.1
95.58091	3.0
97.02924	4.0
97.06554	4.7
99.04464	55.6
104.08914	2.6
105.01852	3.2
105.07018	4.1
107.08590	21.8
109.02859	4.7
109.06531	16.6
113.09646	3.7
119.08563	7.5
121.10127	11.4
123.08076	42.9
123.11708	7.4
123.77016	2.3
125.09616	7.7
127.03912	4.3
131.08583	5.5
133.10126	3.7
145.04994	5.3
145.10100	4.8
147.11649	4.7
149.09618	12.0
151.07541	8.5
163.11230	2.5
165.12759	10.6
167.10680	25.1
183.13843	19.8
189.12758	4.8
201.16478	3.0
207.13808	7.1
225.14859	100.0
249.14857	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17164	1.2
53.03955	1.7
55.01859	1.6
55.05503	4.7
57.03430	1.7
57.07095	1.4
58.06608	2.5
65.03955	1.3
67.05496	4.0
69.03419	4.2
70.06577	3.0
70.68587	4.6
71.04983	4.9
72.08144	2.0
72.29723	1.4
79.05486	5.8
81.03419	1.9
81.07052	5.2
83.04963	2.5
83.08614	1.9
85.02905	11.8
85.06548	6.5
86.09689	1.3
91.04990	1.3
91.05494	16.6
93.07063	7.8
95.04962	3.1
95.08627	9.1
97.02881	5.2
97.06530	1.5
97.32273	1.3
103.05457	1.9
105.01855	2.4
105.07043	44.4
107.08614	8.2
109.02857	2.1
109.06533	15.7
109.10152	2.3
116.07092	1.7
117.07063	6.4
119.04922	1.5
119.08593	54.6
121.06532	3.1
121.10152	12.6
123.08096	8.3
123.08920	1.3
123.11709	5.7
127.03906	4.6
128.06255	1.5
129.07034	1.7
131.08586	9.3
132.09319	1.7
133.06506	3.6
133.10054	2.3
137.06003	1.5
137.09645	9.1
137.13206	1.4
145.10152	16.3
147.08051	3.3
147.11700	78.2
149.09616	12.2
151.07617	2.8
156.09332	5.1
159.08002	1.8
161.09575	1.5
161.13336	2.8
163.11195	6.3
165.12813	7.5
171.09232	3.3
171.11696	5.6
174.10429	3.6
175.03923	1.3
177.05522	1.4
189.12761	57.9
192.07780	1.4
197.99159	1.2
207.13823	100.0
225.14839	5.2
239.53114	1.3
243.07674	45.3
274.18744	1.3
351.11115	1.7
351.17905	1.6
405.13000	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	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.4
55.05526	4.7
57.03436	2.8
59.05005	4.4
65.96295	2.0
67.05495	2.7
69.03424	8.8
69.07062	3.9
69.48584	15.2
70.06606	21.6
71.04984	3.6
72.08160	19.1
74.06075	3.1
79.05519	5.2
81.03413	5.1
81.07045	8.0
84.08137	9.2
85.02918	36.2
86.09709	27.5
87.00822	2.7
87.04449	7.5
87.10029	2.7
91.05485	10.3
93.07028	5.5
95.04984	3.2
95.08616	5.5
97.02892	8.0
97.06556	3.5
99.04455	2.6
99.09161	2.1
103.05447	2.6
105.01878	3.7
105.05486	5.8
105.07040	23.4
106.86033	2.0
107.08590	9.1
109.02904	4.8
109.06525	9.8
109.10133	3.1
110.06027	2.9
116.07096	2.8
117.07013	3.3
117.33279	2.4
119.08592	25.9
121.06537	2.9
121.10134	9.2
123.08044	7.3
123.11732	22.0
124.03947	3.8
125.06043	2.4
126.09179	5.2
127.03902	8.7
127.08636	2.7
129.07024	3.7
129.10236	8.8
131.08559	7.9
133.06520	4.8
133.10135	3.6
135.04424	13.5
135.08061	10.8
135.11700	3.9
137.02333	8.0
137.09547	2.2
138.09135	10.7
143.08606	3.2
145.05002	4.2
145.10106	8.4
147.08095	12.3
147.11713	32.4
149.09607	8.3
151.07565	3.9
156.10266	51.5
161.09662	3.0
161.13213	4.7
163.11285	3.0
165.12715	4.5
171.11708	16.9
185.16521	6.7
189.09134	3.1
189.12770	49.6
194.05101	2.3
207.10339	3.4
207.13834	100.0
225.14867	9.7
231.05144	2.8
242.08003	3.8
247.09752	2.8
249.09680	2.6
404.15549	7.2
421.74509	2.6
422.25208	2.6
426.33801	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	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.05500	1.2
57.03419	1.8
59.05011	4.4
60.02208	0.9
61.02917	2.2
64.07088	0.9
65.03908	1.0
65.44315	0.8
67.05508	2.1
69.03435	8.5
69.07073	5.1
71.04980	1.9
73.02905	0.9
75.08294	0.9
79.05481	3.6
81.03423	3.7
81.07072	4.3
83.04984	5.5
83.08600	1.1
85.02438	1.4
85.02913	19.6
87.04470	6.4
91.03955	1.2
91.05490	3.1
93.07052	10.5
95.04983	2.4
95.08610	5.4
97.02909	8.0
97.06542	3.6
98.20712	1.9
99.04481	2.0
101.06039	2.0
105.03407	1.0
105.07044	9.3
107.08590	13.8
108.08935	0.8
109.02912	1.7
109.06516	3.9
109.10160	2.7
111.08091	3.0
113.06013	1.3
117.07057	0.8
117.15559	0.8
119.08591	11.7
121.02889	1.4
121.06524	1.7
121.10143	8.4
123.08067	6.9
123.11744	1.5
124.03944	1.2
127.03914	4.7
131.08542	1.8
133.06522	2.1
133.10127	6.7
135.11638	1.5
137.05949	1.0
137.09607	2.2
139.11172	14.4
143.08539	1.7
145.04982	3.4
145.10129	2.2
147.04430	0.9
147.08052	3.4
147.11694	9.5
149.09583	2.7
151.07607	4.5
151.11188	17.0
156.09341	2.5
159.11696	2.4
161.09654	1.5
161.13255	12.9
163.11195	1.6
165.01889	1.2
165.12743	2.3
166.02200	1.0
171.11668	4.2
174.10373	1.3
177.12720	4.6
179.14366	1.6
189.12766	18.4
207.13821	70.9
208.14133	1.3
214.27167	0.9
225.14877	100.0
226.15269	2.2
243.16010	2.1
283.06042	3.4
284.06369	8.7
296.06430	2.2
298.08011	1.7
310.07895	2.4
314.07452	6.7
321.07645	1.0
322.07785	6.0
326.07507	1.0
338.07471	4.6
350.07370	4.2
368.08478	13.3
369.19211	3.1
386.09586	1.8
387.20148	13.7
404.10590	1.7
404.22806	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	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73249	0.9
53.49403	0.9
55.01855	0.9
55.05511	2.5
57.46343	0.8
59.04993	2.5
59.87754	0.8
67.05510	1.5
67.73204	0.9
69.03429	1.7
69.07079	1.1
69.57739	4.4
69.58158	1.7
70.06594	2.0
71.05002	1.2
77.40649	0.9
79.05495	3.3
81.03416	1.6
81.07082	6.0
83.04977	1.4
84.04551	0.8
84.08150	1.9
85.02914	24.1
86.09727	5.0
89.82723	1.0
91.05494	6.6
93.07056	3.9
95.04958	2.7
95.06083	6.7
95.08616	3.1
97.02890	1.2
97.06551	0.9
97.10162	1.0
99.04462	1.0
105.07053	14.6
107.08601	13.7
109.02819	1.3
109.06524	3.3
109.10150	3.4
111.04446	1.4
112.08760	1.5
117.07030	1.7
119.04943	2.4
119.08592	16.8
121.06480	1.3
121.10162	10.0
123.04421	1.0
123.08054	2.3
123.11727	21.3
125.09653	0.9
129.06989	2.1
131.08588	8.0
133.06508	1.1
133.10115	3.8
135.08076	17.7
135.11688	2.8
138.09167	2.8
142.07753	1.1
143.08598	8.0
145.10155	8.3
147.04419	4.9
147.08070	12.6
147.11710	18.2
149.09633	13.3
156.09370	13.1
159.11720	1.7
161.12062	1.3
161.13254	5.5
163.11227	1.1
165.09180	1.4
165.12766	3.1
167.10669	1.3
171.11708	24.9
174.10411	1.0
189.12769	33.1
192.07727	10.6
207.13826	100.0
208.14221	1.7
225.14940	1.3
245.57143	0.8
258.12421	1.4
404.16348	7.0
405.17441	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.4
55.53413	1.0
67.05513	1.3
69.03430	1.2
70.06612	1.3
71.04990	6.0
71.32442	2.1
72.08147	1.0
79.05479	3.2
81.03410	1.2
81.07039	2.9
83.04991	2.9
83.08615	2.4
85.02911	6.1
87.04477	4.4
91.05466	3.3
93.07046	1.7
95.04971	5.0
95.08591	3.4
97.02924	1.0
97.06548	2.5
99.04465	7.2
105.07043	3.1
107.08610	35.8
109.06518	5.5
119.08556	1.4
121.10155	6.2
123.08083	100.0
123.11694	5.5
124.08404	1.1
125.06014	2.3
125.09650	21.5
131.08600	1.7
139.03900	2.0
139.11136	4.9
145.10170	1.4
147.11703	3.0
149.09641	34.9
151.03882	2.4
151.07521	6.9
165.12776	4.1
167.10704	10.4
171.11655	1.3
183.13808	4.1
189.12799	8.1
201.09071	1.6
207.13849	10.1
218.08870	1.9
219.10248	2.2
225.14888	70.8
226.15302	1.1
235.13239	1.1
237.14857	1.9
249.14903	2.9
358.99942	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75426	1.6
53.22805	1.6
54.50605	1.8
56.96563	2.7
57.02520	1.9
57.12704	1.6
57.18092	1.6
67.05508	2.0
71.52544	2.3
76.43722	1.9
78.45940	1.7
81.03442	3.8
91.05510	2.2
93.07073	4.1
94.61777	1.7
104.63935	1.7
107.04964	7.1
116.07117	5.0
130.55679	2.0
131.05852	1.5
135.04393	2.2
136.05220	5.9
139.07576	6.8
144.56303	1.6
146.07268	4.1
151.07559	90.0
157.06511	2.9
158.07285	6.9
159.04437	2.5
165.09064	2.6
167.07098	2.7
171.08109	1.7
172.08885	6.3
174.06799	30.9
175.07593	3.5
177.09129	7.7
188.08298	9.2
189.09126	100.0
196.95502	2.0
201.09128	33.2
203.10683	10.9
203.14838	1.7
215.10730	1.8
219.10184	18.9
231.10187	7.8
249.11162	13.5
268.10641	2.1
270.86481	1.9
283.09595	3.1
298.12021	8.5
299.12790	3.9
305.11682	2.5
319.13538	2.4
320.14114	5.3
339.16010	6.3
351.15955	12.7
369.17001	10.6
374.09286	2.5
404.14496	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45741	1.2
53.03938	1.7
55.05519	3.0
59.04995	1.4
59.08758	1.2
67.05503	3.4
69.03443	2.3
69.75208	4.9
70.06590	1.7
71.05000	4.1
72.08160	2.9
79.05489	6.9
81.07049	5.2
83.04987	3.4
83.08624	2.7
85.02910	9.5
87.04468	4.7
91.05489	3.8
93.07076	7.9
95.04960	6.9
95.08599	6.2
97.02933	1.7
97.06529	4.2
99.04466	8.5
100.11253	3.6
105.07052	7.5
107.08607	40.3
109.06532	6.9
109.10163	1.9
111.04458	2.3
111.08032	1.3
115.35403	1.3
119.08578	4.3
120.92907	1.2
121.06512	2.3
121.10150	8.3
123.08084	100.0
123.11684	9.1
125.06007	2.3
125.09659	25.7
128.07074	1.7
129.09200	1.6
131.08582	3.5
133.10139	2.7
137.06007	1.6
137.09624	1.6
139.03894	4.5
139.11186	5.0
141.12799	1.3
143.10858	1.4
145.10126	3.2
147.11714	6.5
149.09636	37.7
151.07561	4.4
157.10155	1.4
159.11607	1.8
161.06056	1.5
165.05405	1.2
165.09065	1.9
165.12767	4.0
167.10681	13.1
171.11674	1.6
174.55545	1.1
181.04922	3.2
182.15417	1.6
183.13797	3.7
187.14937	1.6
189.05562	1.4
189.12732	9.2
195.13728	1.6
207.13803	11.6
219.10164	3.0
223.13289	1.5
225.14880	68.0
226.15137	1.7
229.15892	1.7
235.13367	1.7
237.14980	2.0
247.16960	4.4
249.14886	4.4
252.71779	1.3
265.17880	3.6
280.07458	1.6
291.39026	1.2
351.18048	2.6
369.19122	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	404.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
55.01892	2.1
55.05535	1.8
57.03427	4.5
58.06605	3.0
59.05008	65.6
61.02930	3.3
67.05515	2.6
69.03437	23.3
69.43766	2.6
69.44170	8.2
70.06599	2.9
71.04998	2.7
72.08135	1.8
73.02906	2.6
78.34632	1.4
81.03425	13.1
81.07076	2.2
84.08160	4.5
85.02912	60.8
86.09737	3.8
87.04477	100.0
88.04826	1.5
91.03967	2.3
91.05495	4.1
92.02566	1.6
93.07058	3.1
95.04904	1.9
95.08621	2.0
97.02900	42.1
97.03524	2.2
99.04442	8.1
100.07631	1.5
103.03947	6.1
105.05515	72.3
105.07027	7.1
107.08604	2.7
109.02890	15.1
109.06554	2.6
115.03960	2.4
119.08604	5.7
121.06509	11.7
121.10142	3.6
127.03926	48.6
131.08542	2.2
145.04974	41.6
145.67770	1.5
147.06506	2.0
147.11693	12.0
149.09663	3.0
163.06061	5.9
189.07611	6.7
189.12726	9.3
205.08563	1.9
207.13812	18.2
209.78412	1.4
213.07654	2.1
225.14850	3.2
229.08646	3.9
231.08655	30.4
247.09711	6.7
249.09726	41.0
369.15775	2.3
404.17023	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.0
53.03955	2.7
53.53836	0.5
55.01880	0.8
55.13169	0.4
57.03440	3.7
58.06598	0.8
60.03413	0.4
61.02922	0.6
68.95409	0.4
69.03436	9.9
70.06588	1.7
70.10245	0.9
70.10671	1.8
71.05009	2.4
72.08162	0.5
78.03042	0.4
78.03457	11.3
80.05025	2.3
81.03428	17.2
83.01341	0.5
83.06187	0.5
84.08166	2.4
85.02913	10.0
87.00845	1.4
96.04496	2.4
97.02914	5.4
99.04469	2.7
101.06064	1.2
101.30634	0.5
105.01874	1.0
106.02929	50.4
109.02146	0.7
109.02893	10.6
110.15552	0.5
121.06505	1.8
124.03970	100.0
127.03934	6.9
128.07098	1.0
131.63277	0.5
145.04964	1.0
177.05443	0.7
189.04073	0.5
196.06244	0.9
218.98491	0.5
224.09166	0.7
231.04967	0.6
232.06123	2.9
236.06538	0.5
242.10266	1.7
250.07141	18.5
257.88647	0.5
268.08188	64.6
386.14279	0.6
404.15601	11.2
404.21661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	29.1
69.07040	2.7
71.08640	26.7
73.06586	2.0
85.10181	14.2
89.06036	100.0
107.07086	4.8
113.84643	1.9
129.01845	8.1
130.08635	3.6
133.08612	19.1
139.00293	3.3
151.09679	36.5
165.25107	1.9
292.63934	1.9
369.58167	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52177	0.6
53.03950	0.8
54.62296	0.7
55.01873	2.3
56.05035	1.0
57.03433	1.7
58.99593	17.2
59.58717	0.6
67.05517	2.5
69.03436	2.0
69.07082	5.0
69.07400	0.9
70.28827	0.8
70.29169	2.6
71.38504	0.7
72.08136	0.8
74.06127	0.7
76.02237	98.9
76.04014	2.4
79.05508	10.3
80.05042	0.7
83.06142	0.7
84.04516	28.1
84.08189	3.5
85.02916	1.6
86.09713	1.7
86.99051	3.5
88.02238	2.1
93.34211	0.7
93.49629	0.7
97.02896	1.0
97.06544	100.0
98.06908	0.8
98.97603	1.2
114.03812	0.8
116.01691	24.5
124.03992	1.4
127.03957	1.3
130.05022	18.8
130.05960	1.1
141.04907	1.5
142.03250	10.2
143.24338	0.7
144.01155	13.4
144.02196	1.0
145.04996	1.4
147.04424	0.9
147.82458	0.6
158.32680	0.7
162.02225	46.6
170.02754	3.1
172.07814	0.7
177.05608	1.4
179.04874	84.9
187.05411	1.7
215.04915	2.6
233.05933	22.3
237.02937	1.1
245.05844	4.8
290.08026	1.5
291.06497	3.5
308.09137	38.8
404.19696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03946	2.6
55.05512	0.8
57.03433	1.1
58.06602	2.6
65.65308	0.6
69.03434	10.8
69.52715	4.1
70.06605	1.2
71.04988	1.6
72.08156	0.7
78.03459	10.7
80.05022	1.8
81.03426	17.9
83.05001	1.6
84.08171	1.1
85.02913	12.9
86.09722	0.9
87.00831	1.3
89.01975	0.5
96.04494	2.8
97.02897	5.5
98.21543	1.1
99.04457	3.1
101.06030	4.4
103.40314	0.7
105.01873	2.4
106.02926	48.1
109.02882	8.7
116.07093	0.8
121.06538	2.1
124.03967	100.0
127.03928	10.2
145.04950	2.0
152.56270	0.6
159.02937	1.0
166.05064	1.1
177.05679	0.7
189.03973	1.0
231.05031	1.2
232.05997	3.5
250.07126	19.3
251.57240	0.6
268.08185	65.9
286.09253	2.8
404.15543	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	403.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.05516	7.8
55.42075	1.6
57.03444	2.1
58.06598	3.4
58.99585	1.8
65.03931	1.7
67.05519	14.9
69.03420	5.3
69.07064	5.3
70.06585	6.7
70.83348	3.4
70.83672	1.6
71.05003	2.9
72.07816	2.5
72.08169	32.1
74.00674	3.5
79.05087	2.6
79.05504	39.1
79.82044	1.4
81.03415	5.4
81.07063	22.4
82.07356	3.0
83.04967	2.8
84.08146	3.0
85.01127	2.4
85.02891	5.7
86.09713	3.0
87.02697	12.5
88.02241	6.8
88.04021	3.4
89.00587	1.9
91.05490	27.2
93.07059	15.7
95.04982	9.5
95.08624	6.9
97.01093	2.8
97.06541	2.2
98.09725	3.1
99.02684	2.9
99.04430	1.8
99.08074	2.4
101.04253	1.9
105.03387	1.8
105.07050	22.5
107.04967	17.3
107.08609	21.2
109.02836	1.4
109.06518	4.4
109.10170	4.6
111.02665	3.0
113.04245	12.8
117.07024	5.0
119.04951	1.8
119.08591	13.8
121.06504	2.9
121.10168	2.9
123.04477	2.1
123.08060	2.3
127.03925	2.0
129.06989	5.7
131.08588	10.5
133.06477	5.8
133.10117	11.6
135.08029	1.5
137.04213	3.1
137.09657	1.7
139.05780	7.6
141.05510	2.8
143.08595	1.7
145.06511	2.8
145.10143	7.4
146.05994	1.5
147.08011	4.9
147.11719	13.4
151.11145	1.7
155.07033	5.9
155.08568	1.5
157.03189	1.6
157.10150	3.2
161.09645	1.5
163.11192	3.6
165.07349	2.6
167.07036	5.6
171.11629	2.0
173.09633	3.1
175.11186	7.3
188.07025	1.7
192.13876	2.5
201.05461	1.8
205.09995	9.0
206.10260	11.6
207.08156	2.3
207.09875	2.9
208.17097	2.0
223.10985	2.3
224.11360	4.1
225.09395	12.2
234.18457	1.9
242.12051	4.6
246.18597	7.0
248.20158	1.6
250.12694	2.9
268.13687	2.2
296.13611	2.9
296.16830	20.8
314.17953	10.0
322.18298	6.3
340.19534	2.3
350.17932	2.9
359.16833	4.8
367.20474	16.4
368.18881	4.7
385.21619	100.0
386.21057	2.0
403.15634	20.4
403.22583	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	403.1967
Annotation	Spionoside B
Peak:m/z	Relative Intensity
53.03946	1.9
55.01881	2.1
57.03439	2.6
58.89527	1.4
61.02928	2.0
67.05497	3.2
69.03425	6.4
69.07078	2.9
70.06590	3.8
71.04998	3.0
71.52285	2.0
71.52683	1.9
72.08147	5.2
79.05492	4.8
81.03435	6.4
81.07069	7.2
83.04990	2.6
83.84691	1.4
84.08141	2.7
85.02916	18.7
85.06534	1.4
86.09702	2.7
87.04478	1.6
91.05473	5.6
93.07047	5.8
95.04961	5.8
95.08630	10.9
96.70757	1.5
97.02897	5.9
97.06538	3.4
99.04451	3.7
103.05466	1.6
105.07034	10.2
107.04951	2.2
107.08599	6.6
109.02870	3.3
109.06512	3.6
109.10175	1.6
110.03682	1.6
111.08099	1.6
113.09618	1.8
117.06997	3.4
119.04974	1.4
119.08590	60.3
121.06504	3.6
121.10146	5.4
123.04453	12.2
123.08089	7.5
123.16361	1.4
125.05978	4.7
126.20297	1.3
127.03948	3.1
129.01848	2.2
129.07047	2.8
131.04922	2.8
131.08572	5.1
133.06526	1.5
133.10139	5.7
135.04433	10.1
135.08061	1.5
135.11699	4.2
137.02344	1.5
137.06013	2.4
137.09584	3.5
139.07573	3.0
141.05472	5.9
143.05014	1.5
143.55304	1.2
145.04971	2.5
145.10124	4.5
147.04404	5.2
147.08037	2.4
147.11723	2.3
149.02324	3.4
149.06010	5.1
151.03906	2.1
151.07593	4.4
151.11299	1.4
153.05493	3.1
155.07051	6.4
159.11711	49.9
161.06015	2.5
161.09671	1.6
161.13242	9.6
163.07521	2.0
163.11174	2.9
165.05457	5.6
165.09042	1.7
167.07066	19.7
173.06026	4.1
177.05452	2.8
177.12788	12.2
179.06967	1.8
181.04967	25.4
181.45227	1.4
184.08905	1.4
187.07544	3.8
187.11229	3.6
189.05452	2.6
195.06473	1.4
196.28525	1.3
201.05492	6.8
203.07069	2.4
205.12253	22.2
207.06606	1.7
207.13855	4.5
217.08649	2.7
219.06487	1.7
223.13268	16.0
225.14787	2.6
231.06470	2.2
233.08109	10.5
241.14362	100.0
263.09177	2.4
273.11063	1.6
277.54825	1.8
284.66800	1.6
321.07587	1.5
355.11594	3.0
367.11722	2.9
385.13000	10.5
385.17349	2.5
403.14178	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01860	1.9
55.05495	2.5
57.03421	0.8
57.07077	1.0
58.06580	1.4
65.03910	1.4
67.05508	3.8
68.99786	1.2
69.03434	5.9
69.07050	2.8
71.04977	1.5
71.53537	1.0
79.05101	0.9
79.05497	6.8
81.03410	7.5
81.06591	1.5
81.07060	27.7
82.07394	0.7
82.93723	0.8
83.08645	1.1
85.02913	6.6
85.06533	1.1
87.00819	2.6
91.05498	3.9
93.07054	5.2
95.01318	1.8
95.04970	2.6
95.08611	17.2
97.02887	2.9
97.06527	1.0
103.05450	2.5
104.12654	0.7
105.01825	1.0
105.07026	4.5
107.04935	2.2
107.08581	4.4
109.02876	2.7
109.06515	2.2
109.10141	2.5
110.03658	6.5
111.04480	1.0
111.08072	2.0
115.03913	1.0
115.05465	5.2
117.07039	3.7
119.04841	0.6
119.08603	3.4
121.02819	1.6
121.06500	1.1
121.10127	2.3
123.04435	3.4
123.11694	2.1
124.05203	3.0
125.02344	3.8
125.05997	20.0
127.03941	3.8
129.01855	1.7
129.07010	4.4
131.04918	2.7
131.08534	2.2
133.06454	0.7
133.10120	1.8
135.04424	13.3
135.08046	2.2
135.11723	1.4
137.02310	1.1
137.06015	1.6
137.09605	1.9
137.13251	4.8
139.07568	8.7
143.04926	2.8
143.08586	1.6
145.06497	3.8
145.10144	2.7
147.04393	1.5
147.08049	2.1
147.11687	1.4
149.02394	5.1
149.09608	1.7
149.13298	1.5
151.03900	1.0
151.07549	3.2
152.04701	5.6
153.05446	4.0
155.07024	1.2
155.10661	0.7
157.06480	6.8
157.10182	0.8
159.04460	1.5
159.08041	1.1
161.06001	1.9
161.09628	1.2
163.11212	0.7
167.07051	73.3
168.07373	1.0
171.04395	1.8
173.06010	17.0
173.09630	2.6
175.07500	1.9
179.07034	2.1
179.14360	0.9
181.04967	100.0
182.05351	1.1
185.05957	3.7
187.07521	4.0
189.05502	8.3
189.09074	1.0
191.07050	1.7
191.10690	2.3
201.03816	1.1
201.05495	9.8
203.07069	9.1
205.08568	1.1
207.06538	1.7
208.93341	0.9
209.11682	1.6
213.05501	2.0
213.41246	0.8
217.08516	0.9
218.05756	1.0
219.06654	4.9
221.08138	2.0
229.05164	1.0
231.06593	6.4
233.08066	4.1
235.09683	10.3
241.05202	0.9
245.07910	0.7
245.15340	1.4
249.07693	2.9
251.09157	1.3
258.07840	1.3
259.06195	1.4
262.06500	0.8
263.09210	4.2
263.16400	1.3
267.09528	0.8
277.82730	0.9
279.06570	0.9
281.10239	2.2
286.07425	2.4
291.06570	0.9
301.09897	0.8
307.09509	0.8
311.08789	1.0
314.07013	0.9
315.07816	3.3
317.09244	1.3
318.06384	2.0
321.11264	1.3
323.09122	2.3
324.09897	1.2
325.10806	2.4
329.09225	2.0
331.07114	2.5
332.11591	1.3
335.09082	1.1
337.10953	1.1
339.07776	3.7
339.11920	1.1
342.06372	7.8
343.07175	4.0
345.05054	3.5
349.10861	1.0
349.16437	4.3
355.07199	5.5
355.11850	4.0
356.07858	1.8
357.08691	14.8
359.06491	4.3
361.08133	3.4
367.07080	2.9
367.11789	4.5
367.17896	0.8
373.08240	1.7
373.12906	1.5
385.08197	14.9
385.12915	4.3
403.09290	74.7
404.09598	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	403.1965
Annotation	Spionoside B
Peak:m/z	Relative Intensity
53.03946	7.1
54.74212	2.6
55.01854	7.8
55.05509	6.4
57.03428	12.8
59.20140	2.5
61.02919	11.2
67.05520	14.1
69.03439	29.3
69.07054	12.9
70.06594	16.0
71.04999	17.0
71.52090	4.8
72.08145	7.8
73.02920	5.4
74.06067	2.9
79.05479	13.2
81.03410	22.0
81.07059	21.0
83.04985	7.8
84.04510	3.5
84.08128	11.4
85.02912	100.0
85.06547	7.2
86.09709	79.6
87.04494	5.6
88.03996	3.5
89.13583	3.0
91.05493	22.0
93.03414	2.4
93.07052	22.8
95.04959	10.9
95.08618	21.1
97.02902	31.7
97.06548	19.4
99.04467	38.1
99.08047	3.4
103.03987	3.1
103.62978	2.9
105.07043	23.0
107.04987	6.3
107.08586	33.5
109.02891	16.4
109.06520	7.7
109.10157	35.9
110.02418	3.2
111.04417	3.9
111.08062	5.3
115.05461	4.7
117.07022	17.3
119.04991	3.8
119.08582	56.0
121.06500	7.3
121.10173	25.6
123.04425	19.7
123.08046	10.5
125.09656	4.4
126.05499	3.2
127.03926	19.0
127.07573	6.7
129.01840	5.2
129.07011	7.4
129.10246	5.8
131.08585	10.6
133.06473	4.0
133.10159	15.4
135.08051	12.6
135.11699	31.7
137.06033	4.5
137.09633	12.5
139.03883	9.8
139.07590	3.8
141.05453	4.3
143.08553	5.2
143.11800	9.8
144.09380	4.6
145.04939	12.6
145.06516	2.8
145.10129	38.4
146.10509	2.7
147.04433	6.9
147.08055	18.4
147.11662	6.9
149.05968	2.9
149.09595	7.0
149.13272	9.8
151.07614	4.1
155.14371	5.6
157.10144	7.5
158.17393	2.9
159.11717	49.3
159.62924	2.8
161.06009	6.8
161.09676	7.6
163.03929	6.8
163.11166	22.8
165.09126	11.7
167.03423	4.9
169.10048	3.2
171.11308	6.8
173.12996	4.6
175.11232	3.4
177.05447	3.1
177.12759	55.0
179.06998	2.7
179.10683	4.8
183.10167	4.6
187.11244	15.7
189.09123	4.7
189.12743	4.0
195.13809	20.0
197.11798	3.5
201.09082	7.6
201.12410	2.7
202.09547	2.6
205.12250	53.9
213.14816	3.2
215.13846	4.2
217.08661	7.9
223.13290	85.2
224.13606	3.4
233.08160	3.4
233.14919	4.7
235.17010	3.5
237.29227	2.8
238.11084	2.8
241.14284	19.7
273.11206	9.7
284.19824	3.6
367.11453	3.9
367.17435	3.6
385.12671	12.2
403.14548	3.1
403.19443	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
53.21514	0.8
55.01858	2.0
55.05499	2.1
57.03435	1.3
58.06597	0.9
65.03938	1.4
67.05514	5.5
68.99815	1.1
69.03433	7.8
69.07061	3.1
70.06591	1.2
70.83657	1.7
79.05484	9.3
81.03425	8.7
81.07060	42.3
83.08633	2.2
83.66555	0.8
85.02905	10.9
85.06518	1.9
87.00812	3.7
87.04439	0.9
91.05470	5.4
93.07050	8.5
95.01360	1.1
95.04961	2.9
95.08608	23.5
97.02886	2.7
97.06548	1.3
99.04478	1.6
99.08094	1.0
105.01864	2.8
105.07023	7.2
107.04956	2.4
107.08577	6.3
109.02870	2.5
109.06547	1.6
109.10136	2.6
110.03658	4.1
111.04427	1.1
111.86493	1.0
115.03949	1.6
115.05463	2.7
115.07536	1.0
117.07011	3.7
119.08586	4.8
121.02881	1.8
121.06503	1.0
121.10143	3.1
123.04449	2.4
123.08092	1.6
123.11713	2.2
124.05201	1.3
125.02386	1.5
125.06020	9.0
125.66904	1.0
127.03896	5.0
128.06207	1.2
129.01872	1.2
129.07005	3.2
131.04915	1.1
131.08563	3.8
133.06517	1.0
133.10101	2.5
135.04436	7.3
135.08090	2.9
135.11700	2.5
137.05971	2.0
137.09624	2.0
137.13232	6.8
139.07538	4.5
143.04895	2.2
143.08522	1.2
145.06483	2.6
145.10123	3.8
147.08015	1.6
147.11714	1.8
149.02347	2.0
149.09602	1.6
149.13239	1.6
151.03972	1.3
151.07596	1.8
152.04694	2.6
153.05484	2.4
155.14372	1.2
157.06470	3.2
157.10155	1.1
159.11801	1.7
161.05936	1.1
161.13205	1.1
163.11211	2.0
164.63963	0.9
167.07040	38.2
171.04257	1.2
173.06004	8.3
173.09592	5.6
173.13190	0.9
179.06978	1.1
181.04958	50.1
185.06033	1.9
185.07983	0.9
187.07578	2.2
188.04578	1.1
189.05484	5.7
189.09229	1.9
191.10666	2.9
193.80321	0.9
195.13786	1.0
201.03914	1.5
201.05437	5.4
203.07076	4.4
203.14253	1.3
207.06572	1.7
209.11740	2.8
213.05493	1.0
219.06538	2.8
221.08093	1.1
229.05161	1.2
231.06636	2.3
233.08174	1.9
235.09689	5.2
235.91422	0.9
241.05272	1.9
245.15259	2.2
249.07576	1.6
263.09161	2.7
263.16479	1.5
281.10361	1.2
286.07413	3.6
287.08224	1.4
303.07513	1.3
311.08344	1.7
314.06750	1.8
315.07651	5.0
318.06516	2.7
323.18323	1.4
329.09247	2.2
331.07199	2.1
333.08746	1.3
339.07678	6.8
339.11462	1.4
342.06421	10.3
343.07193	5.9
343.11282	1.3
345.05093	5.7
349.16483	6.5
355.07190	9.7
355.11697	3.1
357.08740	16.8
359.06628	6.4
360.07333	1.2
361.08221	3.7
367.07193	2.9
367.11813	3.5
373.08264	2.9
374.08975	1.4
385.08270	22.2
385.12903	2.2
403.09262	100.0
404.09393	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	403.1754
Annotation	Magnone A
Peak:m/z	Relative Intensity
53.03930	3.5
55.05504	1.4
56.04660	1.2
64.16222	1.3
67.05482	1.6
71.53262	1.4
79.05487	6.4
81.03416	24.0
81.07043	2.0
91.05470	5.0
93.07059	1.4
94.04188	4.6
95.04951	2.6
96.07178	1.2
103.05447	1.9
105.07013	2.6
106.37302	1.4
107.04981	6.1
109.06501	3.6
121.06508	2.2
122.03640	5.4
123.04417	1.7
129.01830	4.1
129.07040	2.2
131.04933	3.7
132.05753	1.4
135.04369	2.8
136.05182	6.7
137.06006	1.7
139.07507	4.5
144.05693	1.7
145.06467	1.8
145.77521	1.2
149.05934	1.9
151.07553	62.2
153.05473	3.3
155.07030	3.1
157.06517	2.1
158.07245	3.6
159.04396	1.6
159.08076	1.6
161.06027	1.9
161.09634	6.6
163.07532	1.5
165.05472	100.0
165.06491	3.8
167.07054	12.7
172.08867	7.1
173.05992	4.7
174.06752	5.1
175.07549	2.1
177.05502	1.7
179.07007	4.0
181.04933	6.2
188.08307	4.3
189.09129	10.6
190.06226	1.9
191.07011	1.7
191.10692	1.7
192.07903	2.4
193.08607	2.1
197.38960	1.5
203.10680	16.7
205.08681	9.0
207.06517	1.7
217.08609	38.5
219.10146	12.7
229.08540	2.8
235.09686	5.9
247.07501	1.5
247.09579	7.1
271.09625	2.1
291.10150	2.0
293.11652	1.7
299.09100	1.9
312.14313	1.4
312.62180	1.5
314.11563	7.9
321.11084	2.5
324.13702	1.6
335.12683	2.4
336.13437	4.1
339.15732	2.0
349.14349	2.6
353.10046	1.8
355.15500	9.9
367.15424	8.1
385.16534	12.0
403.13718	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	403.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.1
63.78043	1.9
69.42059	14.2
70.06591	2.7
79.05500	4.5
81.03436	2.8
81.07066	3.8
91.05503	7.7
93.07088	2.2
94.04209	2.4
95.04990	4.0
95.08602	2.9
103.05439	2.4
105.07081	2.3
107.04972	3.6
109.06557	2.7
109.10191	2.9
119.04960	2.2
121.06500	3.1
122.03638	3.2
128.06200	2.1
129.01848	3.7
129.07013	4.1
131.04930	4.6
131.08604	2.6
137.06003	54.0
137.32982	2.1
138.06732	1.9
142.93343	2.1
145.06490	4.7
148.05255	5.0
149.05998	2.8
151.03876	2.7
151.07597	5.2
158.07384	2.1
159.08083	4.9
160.05226	3.5
161.05997	4.2
166.06267	11.7
167.07091	7.3
173.06059	3.2
175.07582	17.3
177.05545	2.0
177.09122	3.3
181.08621	31.8
186.09956	2.0
187.07608	11.3
188.08321	4.2
189.05455	4.3
189.09183	6.5
197.06105	2.9
201.05418	4.3
201.09177	4.7
202.09904	12.2
203.07001	3.2
204.07889	7.0
205.08620	3.2
209.07964	2.6
211.07587	6.7
216.07806	2.9
217.08492	3.1
218.09445	4.8
219.10208	8.7
227.07076	4.4
228.07834	3.8
231.10164	21.4
233.11795	2.7
239.07146	3.5
240.07886	9.5
241.04916	3.2
241.08630	4.8
249.09131	3.2
253.08630	2.5
255.06374	2.8
256.07306	16.9
261.08908	4.7
261.11407	12.9
265.08664	2.6
266.09213	2.0
269.08179	6.0
270.08926	5.5
271.09702	26.6
275.10669	2.4
276.81012	2.3
277.08615	6.1
278.09610	3.9
283.09668	2.1
284.07034	3.7
284.10480	8.2
285.07538	4.2
289.08826	2.5
291.10190	4.4
292.10840	5.4
293.11722	7.8
294.09085	2.8
299.09174	45.9
303.10007	2.7
304.10959	5.6
305.11765	4.3
309.11322	5.7
311.08978	3.5
314.11520	100.0
315.12140	12.6
321.11169	15.4
323.09387	2.3
323.12823	4.2
324.13565	6.6
325.10336	2.5
327.12366	12.1
329.21194	2.3
335.12888	10.1
336.13565	23.5
337.10617	6.2
338.47302	2.0
340.13181	4.8
352.13043	4.5
355.15445	3.9
367.15479	36.2
385.16525	45.7
403.24942	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63420	1.3
55.01865	1.8
67.05496	1.6
71.16618	1.6
71.52681	2.3
79.05497	2.1
79.49250	1.4
81.03413	2.3
91.05486	3.3
94.04170	2.9
97.06527	1.3
98.07424	1.3
103.05473	1.4
107.04952	2.8
117.07028	1.7
121.10192	1.5
122.03665	3.9
125.06045	1.5
129.01794	2.7
129.07027	2.7
131.04938	3.2
136.05186	3.0
137.05984	55.4
143.04951	2.4
145.06531	2.0
148.05141	3.2
149.05974	3.4
151.03854	8.0
151.07533	5.7
153.05429	2.0
157.06516	2.4
158.07263	1.5
159.08026	5.5
160.05186	3.7
161.06009	2.6
165.01854	5.3
165.05457	3.7
166.06236	10.8
167.07065	1.5
169.06483	1.5
173.05968	2.0
174.06770	2.4
175.07593	18.4
177.05443	4.0
181.08592	36.6
187.07538	15.2
188.08301	5.4
189.05452	2.8
189.09157	9.0
191.07042	2.1
195.08133	1.9
195.10068	1.6
199.07597	2.0
201.05493	4.7
201.09175	4.1
202.09927	10.9
203.06987	2.1
203.10580	2.5
204.07832	5.1
205.08589	3.4
207.10089	1.7
209.08051	1.5
210.06734	1.7
211.07533	5.1
215.06973	1.8
217.08609	4.0
218.09433	1.9
219.10147	12.4
224.27182	1.5
225.05664	1.6
225.09286	2.2
227.07037	3.2
228.07744	5.9
231.08046	2.6
231.10143	24.3
233.09680	2.8
233.11844	4.4
237.09177	2.2
239.06976	3.4
240.07851	11.4
241.04906	2.7
241.08638	3.9
243.10225	2.8
248.08383	1.9
249.09132	3.7
255.06593	1.5
256.07312	15.8
261.09335	2.4
261.11337	17.7
262.09787	1.9
263.10898	2.3
269.08139	7.5
270.08890	4.2
271.09674	22.6
276.11581	2.3
277.08636	5.6
278.09332	5.9
279.10086	2.1
281.08063	2.3
281.11523	1.4
284.07104	2.5
284.10480	8.2
289.08554	4.1
290.09558	2.8
291.10205	5.1
292.10934	3.5
293.08331	2.9
293.11685	8.7
297.07678	3.6
297.11121	1.7
299.09143	38.8
300.09821	4.3
304.11093	3.9
305.08279	2.9
305.11716	4.4
306.08923	3.1
307.09537	2.2
309.11212	5.1
311.09332	2.1
312.09854	2.7
314.11508	100.0
315.12201	8.9
320.10449	2.4
321.11227	15.5
323.12787	4.1
324.13547	7.5
325.10715	2.2
327.12268	10.0
335.12775	10.8
336.13559	20.9
337.10690	5.8
340.13080	2.8
341.13693	1.9
352.12991	4.6
355.15396	7.4
367.15445	38.7
385.16522	44.2
403.24536	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02542	3.8
79.05497	6.9
81.07056	16.3
84.08150	6.1
93.07082	3.9
103.05515	2.7
105.07052	6.5
107.04980	15.2
107.05622	2.5
121.06470	3.8
123.04433	3.4
124.05312	2.7
124.94679	2.4
130.08638	13.6
131.09006	3.3
133.06517	5.4
144.05724	2.6
161.05995	7.4
166.06271	2.4
167.07063	63.2
168.07487	2.9
173.06010	3.7
181.08624	24.2
192.56970	3.0
193.08624	6.9
205.08618	6.4
208.05295	13.9
231.10194	10.1
235.07564	8.2
236.04716	9.2
239.07149	3.5
240.07771	3.5
241.08617	3.1
246.07141	2.4
253.08728	3.4
254.05751	10.0
255.10097	11.3
261.09140	3.2
263.07098	4.8
266.05533	3.2
267.06467	3.5
269.08145	28.9
271.09641	6.4
281.08090	8.1
282.05496	5.2
282.08804	6.5
284.06750	3.2
285.07660	5.4
296.10446	24.5
299.09082	7.2
300.06406	4.3
300.09885	7.2
310.08258	4.1
313.07077	6.4
314.11511	4.8
315.08649	90.0
315.11926	4.4
324.09985	9.7
327.08670	4.3
328.09393	6.7
330.10989	77.3
331.11691	9.1
339.12405	4.8
342.11026	12.4
343.11783	77.4
353.13818	10.3
354.14856	5.0
357.13348	50.2
385.16525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65069	0.6
53.03929	2.4
53.15447	0.6
53.48788	0.6
55.01863	1.2
55.11694	0.6
55.77950	0.6
65.03941	1.0
67.05505	1.4
68.15858	0.7
68.99798	1.2
69.03422	1.5
69.07067	0.8
69.63270	4.2
79.05474	2.9
81.03423	51.2
81.07040	2.0
83.04996	0.7
85.38038	0.7
91.05500	1.9
91.49259	0.7
93.03445	0.9
93.07061	1.1
94.04218	1.4
95.04961	1.5
95.31757	0.7
104.96606	0.7
105.03389	0.7
105.07040	1.0
107.04943	2.0
108.05788	0.8
109.02913	1.2
109.06519	2.3
115.05476	2.0
119.08543	1.3
121.02860	1.3
121.06457	1.0
122.03640	1.9
123.04446	2.3
125.05954	0.8
128.06183	1.1
129.07005	0.9
131.04951	1.5
133.02820	0.8
133.06479	1.0
135.04449	1.6
136.05222	4.3
137.05980	2.8
139.03880	1.1
139.07562	3.9
143.04875	1.6
145.06514	2.6
146.07335	0.8
147.04384	1.8
147.17197	0.7
151.03923	29.2
151.07558	32.7
155.07053	1.9
157.06487	1.0
158.07281	1.9
159.04431	1.8
159.08020	1.4
160.05174	1.0
160.08867	1.4
161.05978	0.9
165.01855	5.0
165.05482	45.2
167.07071	4.5
171.04385	1.1
172.08876	1.3
173.06046	6.7
173.09419	0.7
174.06763	6.8
175.03918	11.1
175.07523	1.7
175.48944	0.7
177.09169	1.5
181.04939	0.7
186.06775	1.3
187.07559	1.0
188.08330	2.1
189.05455	2.5
189.09117	8.6
190.06277	5.4
191.06918	0.8
191.10669	1.6
195.06453	0.8
195.08047	0.7
199.03998	0.9
201.05492	2.6
201.09087	1.8
202.06221	2.3
202.09912	1.6
203.07011	1.4
203.10667	2.3
204.07825	1.1
205.08620	22.3
217.05081	2.7
217.08615	100.0
218.09198	2.6
219.06670	1.0
219.10175	16.6
228.60571	0.7
229.08638	2.0
231.10237	0.9
232.36955	0.8
235.07869	0.5
235.09647	14.4
247.09688	15.5
247.12163	1.4
249.09074	0.7
251.07060	0.8
256.07446	0.8
265.10736	1.7
271.09766	1.2
279.06732	0.9
291.06461	0.8
293.08243	0.7
294.08813	1.1
299.09122	0.8
306.09103	1.3
307.09393	0.9
309.11301	1.2
313.07263	1.2
314.07855	4.4
314.11499	1.7
321.11026	1.1
322.08621	0.7
324.10123	0.8
327.12433	1.0
337.10666	2.1
339.12216	3.1
355.11789	3.1
367.11835	7.9
385.12640	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	403.1391
Annotation	Entonaemin A
Peak:m/z	Relative Intensity
53.03931	3.1
55.01863	1.3
64.33560	1.0
67.05488	2.6
69.03437	2.0
70.06591	1.9
70.73158	2.4
70.73499	1.5
77.94348	1.0
79.05489	3.4
79.05927	0.9
81.03424	55.9
81.07071	1.7
81.15805	1.0
84.04855	1.1
85.02933	1.6
91.05489	2.2
93.03369	1.4
93.07032	1.8
95.04979	1.8
95.08611	1.6
97.02905	1.1
97.06509	1.0
99.80476	1.1
101.36546	0.9
105.07043	1.4
106.43860	1.0
107.04975	2.5
109.02895	1.9
109.06531	2.6
111.31850	1.3
117.06969	1.2
119.32579	1.1
121.02853	2.7
121.06501	1.7
122.03686	2.2
123.04456	1.1
126.03193	1.0
127.03899	1.3
129.06973	1.5
131.04918	3.0
133.02852	1.7
133.06465	1.2
135.04411	2.2
136.05174	4.0
137.02455	1.2
137.05984	1.4
139.07582	5.2
144.05682	1.1
145.06462	2.9
146.07266	1.6
149.02342	2.6
151.03923	36.2
151.07552	34.4
153.00592	1.1
153.01755	1.0
155.07069	2.5
157.06464	2.1
158.07283	2.1
159.04372	1.6
161.05994	1.8
163.03880	1.1
163.11174	1.1
165.01871	7.0
165.05489	57.1
167.03316	1.5
167.07053	6.8
172.08850	1.9
173.05978	7.2
174.06795	8.2
175.03926	13.6
175.07588	2.5
177.05386	1.3
177.09203	1.7
179.07085	1.5
181.05046	2.4
184.00322	1.0
187.03958	1.7
187.07507	1.6
188.08340	1.2
189.05594	2.4
189.09114	11.0
190.06335	5.1
191.03407	1.4
191.10651	2.5
193.08803	1.1
195.06496	1.1
201.05493	3.5
201.09116	3.6
202.06197	1.8
203.06976	2.5
203.10648	2.2
204.07820	1.5
205.06807	1.9
205.08629	24.6
217.08612	100.0
218.09198	2.5
219.10147	15.9
229.05008	1.5
229.08528	2.1
235.07526	1.7
235.09654	19.1
247.09715	12.6
265.10858	2.1
271.06116	5.6
277.08710	1.5
306.08978	1.3
309.07593	1.3
309.11075	1.4
311.59756	1.2
314.07907	3.8
337.10760	3.2
339.12357	3.0
355.11716	3.9
367.11920	11.2
385.12860	11.1
385.20233	1.3
403.13766	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	403.139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92762	3.4
57.59722	3.5
58.06581	5.3
61.02915	3.7
62.03790	3.1
70.06588	7.1
71.53129	6.4
79.05523	4.7
81.39120	3.6
82.10487	3.2
91.05491	5.8
95.04953	5.7
103.05473	55.0
105.07031	4.0
115.05479	7.5
117.07058	7.6
129.01869	11.3
131.04932	100.0
133.06528	4.1
135.04425	3.6
145.06503	15.0
151.07564	4.5
161.05971	57.3
164.76247	4.0
165.05495	15.0
166.38522	4.0
167.07025	17.3
173.05965	10.7
175.07631	5.0
180.25548	3.9
181.04936	5.2
185.06058	4.6
185.08099	6.8
203.07045	11.2
403.09143	5.6
403.13989	6.4
403.21399	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	403.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01866	1.9
55.05507	0.6
63.43585	0.5
65.03954	1.0
67.05496	0.8
68.99801	0.7
69.03439	1.2
69.76829	2.6
71.74850	0.5
79.05490	2.2
81.02989	0.6
81.03427	7.5
81.07063	1.5
91.05492	1.2
93.03400	0.8
93.07060	0.6
95.01334	2.2
95.04979	1.6
95.08615	1.4
98.20789	1.0
101.13385	0.5
103.05491	2.7
105.03452	0.6
105.07015	0.9
107.04898	0.8
109.06480	0.8
110.03664	8.1
111.00808	0.8
111.08067	1.0
115.05453	5.3
115.15893	0.5
117.07050	2.5
119.04949	0.8
123.04478	2.4
123.05222	0.5
124.05206	1.2
125.02388	2.9
125.06009	16.6
128.06215	1.4
128.65854	0.5
129.01875	0.7
129.07021	4.7
131.04932	4.6
133.06493	0.6
135.04433	30.8
137.02371	1.7
137.06010	0.6
138.03125	1.2
139.07542	5.0
140.04669	1.3
143.03413	0.5
143.04921	3.4
145.06500	2.3
147.04425	1.1
149.02362	14.2
149.05984	0.8
151.03903	3.4
151.07532	2.6
152.04655	3.4
153.05455	3.4
155.04901	0.7
155.07060	2.6
157.06532	5.5
159.04443	2.3
161.06001	3.7
165.05443	0.8
167.07063	38.4
171.02907	1.3
171.04425	1.3
173.05997	15.5
174.06802	1.0
175.03912	0.6
175.07552	2.3
177.05499	1.2
177.09084	0.6
179.07022	1.5
181.04974	100.0
182.05302	1.0
183.06554	0.7
185.06017	2.4
187.03923	0.8
187.07564	7.8
188.08231	0.7
189.05513	8.2
189.09091	0.6
190.06161	2.4
191.06987	1.8
201.05490	23.2
202.06104	1.2
203.03391	0.6
203.07042	9.2
204.07726	0.6
205.06798	0.5
205.08577	2.8
206.05782	1.4
207.06516	2.4
213.05478	1.0
217.08592	1.0
218.05771	13.8
219.06541	10.6
221.08180	2.8
228.59198	0.5
231.06497	5.3
233.08110	27.1
235.09737	1.7
245.08209	0.8
247.07184	0.5
251.09161	4.5
263.06854	0.7
263.09216	9.2
265.08603	1.2
275.07111	0.6
277.08545	0.6
279.06528	0.9
289.08737	0.7
291.06622	0.6
293.08182	1.5
294.08624	0.9
295.09631	0.9
305.07953	1.4
306.08826	0.6
307.09601	0.9
308.10526	0.7
309.07986	0.6
309.11407	1.3
312.09894	0.6
321.07690	1.2
321.11227	1.2
322.08350	0.6
323.09174	2.3
324.09961	1.4
325.07104	1.1
325.10654	2.4
327.12381	0.6
335.09375	0.8
336.09906	1.4
337.10815	1.6
339.12473	2.7
341.20392	0.6
349.10709	1.5
352.09460	1.0
355.11768	7.0
367.11774	6.2
373.12909	1.9
385.12836	11.9
396.66858	0.5
403.13812	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1391
Annotation	Rubiginosin B
Peak:m/z	Relative Intensity
54.02713	0.6
62.67069	0.7
63.99442	0.6
64.52426	0.6
67.05493	1.0
69.48940	4.6
74.03654	0.6
78.80434	0.7
79.05498	2.4
81.03428	6.8
81.07050	1.0
81.41421	0.7
91.05509	0.8
95.01362	1.6
95.04974	1.6
103.05479	1.9
109.06502	0.8
110.03671	7.7
115.05482	4.9
117.06992	2.0
123.04424	2.7
123.93468	0.7
124.05247	1.4
125.02330	2.3
125.06000	17.5
129.01828	0.9
129.06999	6.2
130.29388	0.6
131.04919	4.9
135.04427	21.7
137.02318	1.3
138.03120	1.5
139.07535	5.1
143.04921	3.5
145.06471	3.0
147.04480	1.2
147.08090	0.7
149.02347	12.3
149.06003	0.7
151.03896	4.0
151.07552	2.6
152.04689	2.2
153.05502	3.2
155.07042	2.1
157.06488	6.9
159.04436	1.8
161.05974	2.8
167.07053	29.0
171.04420	1.4
173.04633	1.3
173.06021	15.5
174.06764	0.9
175.07574	1.1
179.07082	2.0
181.04970	100.0
182.05309	1.1
183.06534	1.1
185.06039	2.4
187.07530	6.0
189.05527	6.0
190.06267	1.3
191.07048	1.8
201.05493	20.8
201.78799	0.8
202.06209	0.8
203.07045	7.3
204.07854	0.8
205.08594	2.9
206.05759	1.0
207.06491	2.0
218.05788	5.4
219.06528	8.9
221.08078	2.0
231.06503	5.0
233.08098	17.5
235.09647	1.0
249.07414	1.1
251.09198	3.1
263.09225	6.9
275.07239	0.7
293.08362	1.6
294.08881	1.2
305.08005	0.9
309.11185	1.4
323.09229	1.6
324.09918	1.1
325.10721	2.4
336.09937	0.9
337.10620	1.2
339.12402	1.7
349.10760	1.2
355.11826	5.8
367.11728	4.3
373.12982	1.9
385.12802	8.6
403.13840	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	403.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13302	0.5
53.03943	1.2
55.01846	1.0
55.05503	0.7
57.03421	0.6
57.07086	0.6
58.06587	0.8
63.80072	0.5
67.05487	1.5
68.99805	0.6
69.03416	1.6
69.07064	0.8
70.87572	1.3
79.01870	0.6
79.05500	3.1
81.03423	6.3
81.07063	8.9
82.04186	0.9
85.02903	1.8
87.00840	0.9
91.05471	1.5
93.07044	1.6
95.01313	1.7
95.04971	1.5
95.08607	4.8
96.05730	0.6
97.02843	0.6
99.04413	0.5
103.05453	1.5
105.07026	1.2
107.04946	0.8
107.08567	1.0
109.02861	1.3
109.06502	0.7
110.03677	7.7
111.08069	0.9
115.05462	4.6
117.07033	2.9
119.08552	1.5
119.24300	0.5
121.10181	1.2
122.03699	0.6
123.04445	2.3
123.11694	0.5
124.05244	2.5
125.02343	2.7
125.05071	0.9
125.05998	18.0
127.03902	1.7
128.06227	1.5
129.01926	0.6
129.07042	4.7
131.04947	2.6
131.08597	1.1
133.06456	0.6
133.10178	0.9
135.04427	11.5
136.05164	0.5
137.02370	1.6
137.05927	0.9
137.13277	1.2
138.03146	1.5
139.07547	8.5
143.04956	3.2
145.06474	2.6
145.10168	0.8
147.04327	0.8
147.08054	1.2
149.02365	5.0
149.05928	0.8
149.13257	0.8
151.03893	1.2
151.07549	2.1
152.04684	6.1
153.05473	3.2
155.07043	0.9
157.06529	5.9
159.04399	1.2
161.05977	2.0
167.07056	76.5
168.07350	1.2
171.04393	1.7
173.06007	16.9
173.09651	0.7
175.07555	1.4
179.07019	2.6
181.04968	100.0
185.06046	4.2
186.06802	0.7
187.07619	3.7
189.03938	0.9
189.05484	10.0
191.07054	1.7
195.06544	0.7
200.95026	0.6
201.03824	1.1
201.05495	10.5
202.06137	0.7
203.07037	8.5
203.08780	0.8
205.08598	1.5
207.06557	2.3
213.05518	1.5
217.08739	0.8
218.05698	1.1
219.06572	4.5
221.08110	2.2
231.06563	6.4
233.08073	3.6
235.07541	0.8
235.09703	8.5
245.08092	0.7
249.07590	3.3
251.06844	0.6
251.09186	2.5
263.09210	5.8
277.08563	0.8
281.10260	1.2
286.07159	1.0
292.07092	0.7
293.08282	0.7
299.05487	0.9
305.07980	0.6
306.08936	1.1
308.10458	0.9
309.11102	0.8
315.07892	0.9
321.07932	0.7
321.11365	0.6
323.09100	1.8
325.10703	3.5
335.09296	0.6
337.10724	0.8
339.07843	0.7
339.12262	1.6
342.06604	1.1
343.06873	1.3
349.10672	1.3
349.16388	0.9
355.07306	1.1
355.11786	3.5
357.08795	3.3
359.06702	1.0
367.07248	0.9
367.11725	5.3
373.08273	0.6
374.08527	0.5
385.08170	3.5
385.12836	6.4
403.09280	18.0
404.09576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55843	0.8
69.03405	0.8
70.11901	3.3
78.18616	0.9
79.05482	3.5
81.03425	6.2
81.07056	2.6
81.33682	1.0
82.04191	1.1
91.05483	1.4
93.07015	1.0
95.01335	1.1
95.04967	1.1
95.08598	1.3
98.21474	1.0
103.05463	1.5
105.06982	0.9
107.04987	1.2
109.06511	1.0
110.03687	7.1
111.08089	1.3
115.05432	3.8
117.07005	2.2
123.04429	1.7
124.05225	1.7
125.02358	2.5
125.06007	15.9
127.03925	1.5
128.06235	1.8
129.06987	3.9
131.04939	3.4
135.04411	11.6
137.02371	1.1
138.03088	1.2
139.07558	9.9
143.04921	3.7
145.06508	3.6
147.04398	0.8
149.02345	6.8
151.07550	2.3
152.04738	4.7
153.05528	4.2
155.04950	0.9
157.06528	5.4
159.04407	3.0
161.06003	2.9
163.03944	0.9
166.14259	0.8
167.07054	76.8
171.04440	1.9
172.31149	1.0
173.06010	15.3
175.07596	1.3
179.07042	1.6
181.04974	100.0
185.05978	3.0
187.07562	3.2
189.05489	8.6
191.07053	1.3
195.06532	1.2
201.05495	10.0
203.07056	9.1
205.04916	1.3
205.08580	1.3
207.06615	2.3
213.05460	1.4
217.08685	2.3
219.06558	5.0
221.08142	2.1
231.06561	6.7
233.08199	2.1
235.09691	10.7
249.07579	3.1
263.09372	4.9
281.10379	2.1
289.07202	1.3
293.07928	1.0
297.11145	0.9
301.07050	1.1
306.90887	0.9
323.09134	2.5
325.10748	3.2
339.12167	2.2
342.06256	1.6
345.89072	0.8
349.10663	1.6
355.11746	3.4
367.11798	5.8
373.12915	1.1
385.08337	1.7
385.12701	7.1
403.09335	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	403.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24712	2.8
52.40896	3.8
55.01881	6.9
67.05500	7.8
68.99814	5.0
70.78096	7.3
70.78423	3.2
77.04041	3.1
79.05514	4.7
81.03416	5.2
85.02929	2.9
85.23738	2.9
91.05505	4.5
95.01306	3.0
97.02917	10.1
106.03230	3.2
106.57480	3.4
107.04953	8.3
108.05685	3.5
109.02933	3.8
111.04474	4.2
112.71088	3.1
115.05472	3.4
121.06525	3.7
125.02390	21.2
129.07021	5.7
133.06503	4.2
135.04416	8.8
136.05229	3.9
137.02301	3.6
145.06532	13.7
146.07286	7.1
149.02396	4.2
151.07562	55.2
155.03392	13.8
157.06456	8.5
158.07275	7.6
159.08099	9.4
161.05954	5.8
165.05499	6.7
165.09042	3.5
167.03421	26.3
171.08133	7.4
172.08861	13.3
173.05978	8.2
174.06784	6.9
175.07584	6.6
176.08365	8.4
177.09097	5.3
179.03464	5.2
182.07335	5.7
183.02856	6.0
183.08055	5.7
186.06752	5.3
187.03979	4.5
187.07509	9.1
188.08340	19.5
189.09135	100.0
191.10699	6.4
195.08121	4.9
196.08876	12.4
200.08369	6.0
201.09123	56.9
202.09921	13.6
203.10654	28.4
205.08607	4.5
212.08305	4.4
213.09235	11.6
215.07187	3.8
215.10730	9.8
216.07722	5.4
217.08731	4.3
219.10132	8.2
226.09950	5.9
227.10732	14.5
229.08588	4.5
231.10208	52.3
238.09941	4.1
239.10748	6.8
241.08760	3.6
243.10129	7.5
249.11319	14.3
250.09811	5.3
252.11414	4.0
253.08720	4.7
253.12144	4.7
255.10120	7.7
262.10092	3.5
263.07263	4.4
263.10516	6.3
267.10245	4.7
278.09192	6.8
279.10086	3.4
281.11627	4.1
291.10178	7.6
293.08139	3.8
297.11401	4.2
306.08832	3.6
309.11319	9.1
325.10767	7.1
337.10858	14.6
339.12381	7.5
343.11484	3.7
352.56793	3.5
355.11816	13.7
357.13425	11.0
367.11676	17.8
373.09314	5.5
385.12799	24.7
403.13937	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1389
Annotation	Descurainolide B
Peak:m/z	Relative Intensity
58.06607	1.3
65.03944	1.4
67.05521	1.0
71.54173	1.2
72.08143	1.1
79.01842	1.0
79.05505	3.2
81.03440	4.3
81.07059	1.9
82.63504	0.8
84.08125	1.0
86.20514	1.2
91.05474	1.7
95.01328	2.2
95.04950	2.0
103.05453	1.5
105.07019	1.9
107.04957	2.3
109.06569	1.0
110.03667	8.4
111.08064	1.0
115.05468	4.3
117.07041	1.5
119.04928	0.9
119.08537	0.9
123.04456	2.9
124.05254	1.2
124.11950	0.8
125.02349	3.1
125.06007	17.8
126.06542	1.1
128.06200	1.9
129.01840	2.1
129.06981	3.9
131.04976	4.4
135.04439	14.3
137.02353	1.9
137.06003	1.6
139.07530	8.7
143.04909	3.3
145.06459	2.2
147.04420	1.9
147.07986	1.4
149.02354	6.1
149.03348	0.9
151.03918	2.5
151.07550	2.5
152.04736	4.9
153.05463	4.3
157.01352	1.3
157.06483	6.1
159.04408	1.7
161.05984	2.5
165.05461	1.2
165.09131	1.5
167.07048	78.7
173.06001	16.1
175.07603	1.4
177.05370	1.2
179.07071	2.1
181.04968	100.0
185.06010	3.2
187.07568	5.2
189.05461	9.3
190.06293	1.2
191.06990	2.3
193.08691	1.5
201.05504	10.3
201.09140	0.9
203.07082	11.3
205.08611	1.6
207.06554	2.0
213.05510	1.2
218.05713	1.1
219.06502	6.2
221.08089	1.9
231.06566	7.5
233.07953	5.3
234.06798	1.3
235.07562	1.5
235.09674	11.1
247.07697	1.1
249.07605	3.5
263.09195	4.3
288.84293	1.0
299.05621	1.0
306.08755	1.3
307.09509	1.1
323.09314	1.4
325.10706	3.0
330.63440	1.0
339.12231	2.3
349.10626	2.4
355.11938	5.4
367.11761	6.0
373.12531	1.2
385.12787	8.1
403.13962	3.8
425.19391	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.7
62.19338	2.7
67.05486	3.2
68.99799	6.4
69.03405	3.1
69.63827	19.2
73.64008	2.9
79.05492	4.5
81.03428	5.9
85.02884	4.4
86.94873	4.0
91.05490	4.8
97.02907	9.3
107.04951	4.6
112.62555	3.2
121.06450	4.4
125.02370	16.7
128.06187	4.0
129.07036	5.3
131.04935	4.0
131.08580	4.9
135.04387	6.1
145.06480	17.0
146.07355	5.9
151.03885	6.0
151.07571	52.4
153.01828	3.8
155.03403	13.6
157.06561	8.7
158.07253	9.0
159.08128	8.0
160.08803	4.7
161.06041	6.3
162.06804	4.0
165.09094	5.7
167.03409	22.0
169.02719	3.7
169.06451	4.0
171.08064	7.1
172.08839	13.0
173.06010	7.4
174.06740	6.1
175.07579	6.9
176.08311	8.9
177.09077	7.0
179.03479	6.4
183.02972	3.5
184.08894	3.5
187.03961	4.5
187.07608	8.9
188.08397	22.9
189.09122	100.0
191.10567	5.9
194.07368	3.3
195.08163	6.7
196.08881	14.2
199.07544	3.7
200.08345	7.4
201.09151	42.1
202.09866	16.5
203.10664	31.4
212.08359	8.9
213.09169	14.8
215.10745	13.6
216.07861	3.5
219.08170	5.2
219.10138	8.2
221.09489	4.3
222.10533	4.0
224.08327	4.4
225.09145	6.2
226.09920	7.3
227.10727	19.1
229.08725	4.0
231.10181	50.5
235.07463	3.5
237.09132	6.3
239.10757	11.8
241.12364	5.8
243.10287	6.5
249.09091	7.5
249.11325	8.4
250.09868	5.0
251.10463	4.6
252.11346	4.3
252.61380	3.9
253.08553	4.4
255.10356	6.8
261.11285	4.9
263.10718	6.7
267.10239	4.2
269.11777	4.6
270.12460	7.2
279.10062	5.5
281.11673	7.4
283.09827	5.0
295.09656	8.2
309.11185	15.1
311.12787	3.6
337.10629	12.9
339.12305	4.3
355.11780	18.3
357.13208	16.0
367.11731	15.4
385.12769	19.1
402.38596	5.3
403.13934	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1391
Annotation	2-(2,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
55.01868	6.9
59.07515	3.2
68.99770	3.4
69.64124	7.3
69.64539	11.2
81.03429	5.9
91.05467	6.4
93.03411	3.5
97.02875	9.4
98.21552	3.4
103.05453	3.5
107.04952	6.2
111.78001	3.4
115.05456	4.0
121.02891	4.7
121.06483	4.4
125.02360	19.4
128.06271	4.0
129.06982	3.9
131.04982	7.0
135.04376	7.3
137.02390	4.4
139.03757	3.5
142.75551	2.9
143.04836	3.3
144.05750	4.3
145.06483	22.6
146.07256	5.3
149.02327	5.4
151.04021	3.8
151.07550	76.3
155.03391	13.0
157.06505	7.9
158.07286	12.0
159.08092	12.2
161.06029	5.4
165.05617	3.5
167.03429	24.5
169.06355	3.5
171.08061	7.8
172.08830	12.8
173.06006	7.8
174.06805	13.2
175.07547	6.3
176.08299	9.8
177.09085	12.6
179.03329	6.5
181.06543	5.1
185.06017	6.9
187.03830	5.0
187.07489	13.8
188.08328	23.0
189.09111	100.0
190.09546	3.2
195.08072	5.7
196.08856	16.9
199.07494	5.1
200.08372	4.3
201.09100	60.5
202.09895	21.7
203.07129	4.4
203.10666	39.3
205.51642	3.2
210.10408	4.7
212.08296	4.4
213.09012	15.4
215.10684	14.9
216.07652	4.3
218.09579	4.6
219.10138	14.8
224.08185	4.5
225.09087	4.4
226.09869	9.3
227.10629	19.5
229.08672	5.3
231.10172	50.7
235.07535	4.0
238.09792	5.5
239.10698	9.3
243.10210	9.8
243.95110	3.6
249.11203	9.7
251.10806	5.1
252.11507	5.8
255.10182	8.9
263.10638	5.6
265.12051	4.3
267.10172	8.4
269.11490	4.5
278.09436	4.5
279.06519	5.0
279.10165	3.8
281.11752	6.4
291.10068	6.6
293.08197	3.5
293.11581	4.8
295.09698	5.2
303.51443	3.5
307.09641	5.1
309.11157	14.3
311.12680	3.9
325.10648	7.9
327.12061	4.8
337.10654	11.6
339.12119	8.5
355.11783	17.4
357.13300	14.3
367.11813	26.3
385.12860	32.8
403.13660	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	403.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94862	2.9
52.59083	3.2
55.01868	8.2
55.73724	2.5
61.77773	2.8
68.99793	5.6
69.03442	5.3
71.52063	2.8
71.52438	3.7
79.05485	3.7
81.03419	8.2
83.04987	3.1
85.02944	2.7
91.05493	8.5
95.04986	4.1
97.02892	7.8
102.02343	3.9
103.05465	4.0
105.03425	3.9
107.04977	6.8
109.02897	5.2
111.04435	3.3
115.05463	6.4
117.07046	4.6
121.02916	3.0
121.06513	4.3
125.02396	17.3
128.90152	2.7
129.07030	9.7
131.04938	6.1
133.06595	2.9
135.04442	49.4
136.05208	6.0
137.02367	3.2
139.03897	4.4
143.08479	2.9
144.05688	3.6
145.06496	22.8
145.25601	3.1
146.07262	6.2
149.02347	10.2
149.06009	8.1
151.07552	96.9
152.07953	3.6
155.03419	12.7
157.06525	17.1
158.07260	8.6
159.08076	10.1
161.05986	17.6
165.05499	3.1
165.09126	5.1
167.03432	37.9
167.07051	3.9
171.08058	8.6
172.08890	13.2
173.06007	29.1
174.06787	19.0
175.07568	11.8
176.08347	4.9
177.09117	14.3
179.03346	5.3
181.06470	4.8
182.07353	5.2
183.02916	3.2
183.08168	4.3
185.06029	5.8
187.07584	18.9
188.08339	27.4
189.09131	100.0
190.09871	3.9
191.10751	7.7
195.08171	6.2
196.08830	12.5
199.07640	5.9
200.08356	4.5
201.09120	64.7
202.09875	15.2
203.07143	4.1
203.10674	45.1
209.09753	3.6
211.07532	6.8
212.08495	4.6
212.11934	3.4
213.09151	17.5
214.09845	4.2
215.10738	12.8
216.07851	4.4
217.12282	6.9
219.08006	4.7
219.10164	4.5
224.08282	4.0
225.09122	5.2
226.09967	8.5
227.10709	13.7
228.11412	3.7
229.08614	4.2
229.12383	5.5
231.10210	41.6
233.09735	3.3
237.09206	5.0
238.09888	5.0
239.10759	8.8
241.08659	3.7
243.10199	4.9
243.13866	9.3
247.07654	3.9
249.11282	9.2
251.10684	4.1
263.06888	3.7
263.10791	4.4
265.12436	3.1
267.10306	8.8
269.11700	4.7
275.10794	3.2
281.11890	4.8
289.09146	5.9
290.09439	3.8
291.10205	3.9
293.08041	3.5
294.09018	4.7
295.09573	6.3
297.11301	3.7
301.08658	4.9
304.30063	3.1
307.10236	7.4
308.10361	3.2
309.11301	11.6
312.09772	3.0
316.10815	3.2
325.10754	3.3
329.11682	3.2
330.12357	3.7
332.10751	5.7
337.10800	10.9
347.12674	15.7
355.11972	16.8
357.13675	9.6
367.11716	15.6
372.17136	8.8
373.13614	4.3
385.12778	16.6
388.16867	6.1
392.23428	3.4
403.05063	4.8
403.13766	15.9
403.19052	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.0
55.05507	4.3
67.05523	4.6
68.99795	4.3
69.03407	5.7
69.07079	5.7
70.77950	9.3
81.03437	8.1
85.02891	6.0
91.05497	8.3
95.04940	7.1
97.02898	13.8
105.06989	3.7
107.04979	8.8
109.02887	5.3
125.02341	19.4
128.06219	4.4
129.01810	9.4
129.07063	5.8
135.04436	7.1
137.02336	6.8
144.05704	4.8
145.06503	16.7
151.04010	4.4
151.07582	60.6
155.03421	10.2
157.06499	9.2
158.07294	6.3
159.08098	5.3
161.06007	4.8
167.03394	15.2
169.40094	4.8
171.08041	8.2
172.08842	11.4
174.06816	11.0
175.07640	7.3
176.08325	5.1
177.09166	7.3
187.07571	10.0
188.08316	25.1
189.09122	100.0
190.09769	4.3
195.08109	5.9
196.08827	7.8
201.09143	38.4
202.09819	15.8
203.10652	33.0
208.08894	4.6
211.07579	5.6
212.08414	6.8
213.09154	13.4
215.10619	7.8
217.08525	5.9
219.07953	5.3
219.10115	11.5
225.09204	5.0
226.09827	10.8
227.10663	13.5
229.08653	4.7
231.10159	60.0
237.09235	6.3
239.10727	11.3
243.10316	8.6
249.11281	20.2
253.12245	6.2
254.09709	4.5
255.10135	6.3
265.08981	5.2
267.09964	4.4
269.11670	6.7
278.09314	5.5
287.74689	4.1
291.10138	6.7
295.09756	7.8
297.51712	5.1
309.11243	13.0
319.09351	4.5
325.10751	6.9
337.10745	11.2
339.12314	6.7
343.54926	4.3
355.11728	15.1
357.13361	16.4
367.11649	12.6
385.12646	26.8
403.13998	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	403.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	11.8
58.54345	2.9
64.66363	3.2
68.99789	7.0
69.03416	3.6
71.52551	6.2
72.63542	3.3
74.59141	3.7
79.05500	4.6
83.04984	5.2
91.05488	7.0
95.04979	3.5
97.02901	7.6
105.07063	6.2
107.04942	8.9
111.04473	3.9
121.06522	7.7
125.02357	21.9
129.01884	10.1
129.07034	5.5
131.04987	4.5
135.04448	5.9
137.02293	4.1
143.20427	3.8
145.06551	22.2
146.07269	7.2
149.02361	8.4
151.07562	77.2
155.03406	15.6
157.06508	6.5
158.07289	8.5
159.08060	10.9
161.05963	6.2
165.05516	3.7
167.03442	23.4
169.06514	5.7
171.08061	6.9
172.08850	20.8
172.10245	3.4
173.06020	8.6
174.06779	13.0
175.07593	7.4
176.08377	11.1
177.09100	11.6
181.06566	3.9
183.02986	6.1
187.07535	11.9
188.08322	26.8
189.09129	100.0
191.07039	6.0
191.10455	3.8
195.08081	4.2
196.08829	12.4
197.09584	3.8
199.07582	3.7
200.08449	6.3
201.09146	42.9
202.09845	20.7
203.06999	4.5
203.10706	35.9
208.08841	3.8
212.08301	4.1
213.09085	14.4
215.10675	12.4
216.07843	4.8
219.10237	9.8
226.09962	4.7
227.10667	16.1
231.10193	40.8
233.08046	3.7
237.09128	5.1
238.10014	4.0
239.10471	8.0
243.10207	8.2
248.08342	5.0
249.11292	15.4
255.10182	4.1
267.10098	6.3
269.11786	5.0
278.09369	6.0
279.09918	4.1
281.11664	5.6
283.09613	3.6
291.10147	4.9
294.08881	3.6
307.09869	4.3
309.11157	10.3
325.10797	5.8
337.10751	12.0
339.12280	4.1
351.57120	3.8
355.12054	17.5
357.13449	13.0
367.11823	16.8
369.11612	4.4
385.12717	27.8
403.13934	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	403.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01875	1.0
57.03436	0.6
57.07102	0.6
61.02919	0.7
67.05518	2.7
68.99786	0.7
69.03443	3.8
70.06561	0.5
71.05009	0.8
71.52605	0.8
73.02906	0.8
76.07544	0.5
79.05484	1.2
81.03429	3.1
81.07061	1.1
81.80043	0.6
84.09565	0.5
85.02917	10.5
86.09723	0.6
87.00843	5.4
91.05466	0.9
93.07047	1.8
95.04988	6.0
95.08621	5.3
97.02916	3.2
99.04455	2.3
105.01878	4.5
105.07021	0.9
107.08562	1.0
108.02097	0.6
109.02896	3.3
109.06535	1.3
109.10145	2.5
111.04436	0.8
112.05260	1.8
119.08605	3.0
121.06470	0.9
123.04439	3.2
123.11734	0.7
125.06056	0.6
127.03938	6.6
129.01869	1.1
137.09628	6.5
140.04677	3.3
141.05492	1.3
145.04979	2.8
151.03912	1.1
151.07544	0.6
155.07048	100.0
155.10542	3.3
156.07407	1.2
159.02925	1.1
159.11714	1.4
167.07071	2.9
179.07045	1.0
181.05043	1.0
191.07045	1.0
193.08557	0.8
197.08098	0.9
221.08150	1.1
231.04977	1.3
241.14377	1.7
263.09198	0.8
283.06378	0.7
295.06238	0.7
403.14557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1237
Annotation	10-Dehydrogardenoside
Peak:m/z	Relative Intensity
53.03952	2.9
55.01870	6.8
57.03450	4.4
58.06573	3.4
61.02935	3.7
62.25058	2.6
67.01894	3.5
67.13207	2.5
69.03395	4.0
69.65791	15.0
70.06601	4.6
72.08159	5.4
76.14011	2.5
79.86659	2.6
80.74911	3.0
81.03417	8.6
85.02910	16.2
91.05505	3.6
95.62187	2.7
97.02892	7.9
98.20786	3.6
103.03955	4.7
106.02910	12.7
107.05009	3.3
109.02888	6.3
110.07184	3.6
115.05477	2.9
119.08558	3.4
119.54980	3.1
121.02875	8.1
123.04441	5.9
124.03957	20.0
131.04944	4.3
133.02924	4.7
135.04431	8.0
141.65054	3.1
145.06499	5.3
147.04443	6.3
151.03929	7.4
154.05006	6.8
155.05173	3.3
159.04446	12.7
159.08145	3.3
163.03886	6.4
163.07634	3.2
165.05507	6.8
171.04405	6.5
173.05998	11.7
175.03955	12.3
177.05519	12.6
181.04964	8.4
181.98170	2.7
185.06027	6.2
186.99554	2.8
187.03917	20.2
189.05521	17.0
191.03372	3.9
191.06953	6.0
193.05016	29.9
195.06581	4.0
199.03947	9.0
201.05449	25.7
203.03412	3.3
203.07187	4.1
205.04985	67.0
207.06494	7.3
211.03780	4.3
213.05513	9.0
215.03482	3.9
215.07030	10.2
217.04993	54.0
219.06544	36.7
223.06058	16.3
229.04993	24.7
231.06528	21.5
233.04533	7.6
233.08182	10.0
235.06027	61.4
237.07722	4.1
241.04961	8.9
241.07191	9.0
243.06474	15.4
245.08369	3.0
247.06038	100.0
253.04857	5.9
253.07118	19.5
255.06450	14.5
259.06006	28.6
261.07571	28.3
265.04675	6.0
265.07141	49.8
267.06589	8.3
268.08200	14.3
271.06033	23.8
273.07651	16.4
277.07114	9.5
283.06009	16.6
283.08212	15.1
285.04831	2.9
285.07333	15.6
289.07077	76.3
301.07068	47.5
303.08661	4.1
307.08154	51.0
313.07013	16.3
319.04532	6.8
319.08105	72.0
325.06998	6.2
331.08069	26.3
337.08978	5.0
343.07944	4.7
349.09229	27.3
351.32782	3.5
355.08084	10.7
367.10364	35.1
385.08975	21.6
403.10284	11.6
403.15369	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	403.1027
Annotation	beta-Isorhodomycinone
Peak:m/z	Relative Intensity
55.01876	2.3
61.02919	1.3
65.03954	0.6
68.99792	1.4
69.03434	1.0
70.06590	1.3
72.08135	0.8
79.05488	2.2
81.03400	0.6
81.07063	1.0
83.04967	0.7
84.08127	1.7
85.02903	2.4
85.16586	0.8
87.04446	1.4
91.05477	1.4
92.99784	0.9
93.07053	1.5
95.04958	0.8
95.08626	1.4
97.02876	1.5
101.46888	0.8
105.03368	0.9
105.07066	1.2
107.04983	1.5
107.08585	1.7
109.02908	0.9
111.08074	0.9
119.04974	4.8
119.08577	2.4
121.02863	14.7
123.04426	2.2
131.04945	1.4
133.02946	0.8
141.01776	1.5
145.02835	4.8
147.04427	2.0
147.11702	0.8
149.02353	1.7
151.07568	0.8
151.11195	1.4
163.03928	7.4
165.01845	16.5
165.05481	1.3
167.03418	1.9
167.07086	1.2
175.03909	2.3
177.01872	1.2
179.03407	2.3
181.04968	1.1
183.02908	3.0
186.17143	0.7
187.03909	2.4
191.03336	1.0
193.04968	1.1
195.02869	1.8
203.03383	4.6
207.13834	3.9
221.04456	0.9
225.14859	4.5
225.96640	0.6
229.04997	2.8
231.02943	2.2
239.07022	1.6
249.03877	0.9
267.06537	8.2
270.05322	2.8
270.08060	0.7
271.05975	5.8
273.03876	1.6
279.06549	3.3
281.08090	8.7
283.06021	87.2
284.06769	8.9
291.06534	0.9
293.08118	5.1
295.06030	12.5
297.07559	15.7
303.06583	0.8
305.07947	1.6
307.06143	3.6
309.04361	0.9
309.07587	24.2
311.09143	4.1
313.07071	52.7
314.07394	1.7
316.80353	0.7
320.06799	0.7
321.07581	38.9
322.07922	1.0
325.07132	7.7
337.07059	42.9
338.07724	0.9
339.08636	2.1
349.07089	33.5
365.19336	0.9
367.08145	100.0
368.08508	2.9
385.09128	19.4
385.13974	0.9
387.20190	0.9
403.10178	11.7
403.15152	1.1
404.22754	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39225	3.0
53.03935	4.4
55.01868	4.9
55.05513	19.7
56.96307	4.6
56.96570	74.4
57.03424	14.0
60.08970	3.3
67.05509	43.3
68.26801	3.1
69.07072	30.2
71.04987	6.5
71.53268	4.5
79.05065	4.7
79.05489	37.1
81.03397	4.2
81.07072	44.3
83.04970	6.5
83.08607	10.9
85.06545	4.5
91.05482	34.8
93.07053	65.4
95.04975	10.8
95.08608	23.8
97.06545	8.2
97.10176	6.4
98.97588	100.0
105.07040	22.8
107.04984	16.0
107.08595	31.3
109.06465	5.1
109.10138	11.7
111.08087	4.8
116.98637	65.2
117.07003	14.1
119.08580	19.4
121.06498	7.8
121.10107	14.8
121.65959	3.1
123.08002	3.6
125.09620	5.4
129.07024	4.4
131.08604	13.3
133.10149	19.2
134.06013	7.8
134.99672	24.7
135.11694	23.0
139.01559	3.3
140.00146	7.3
141.02220	8.2
145.10124	10.0
147.11723	6.8
149.09645	10.0
149.13239	11.5
158.01289	4.3
159.11691	14.4
161.13187	3.4
163.00703	15.5
163.11156	5.7
165.05418	4.2
173.13255	3.1
175.22501	3.0
177.12755	7.4
181.01738	15.3
183.03229	3.5
189.11134	3.6
190.01749	4.3
195.13815	4.4
197.01248	3.9
201.04337	19.3
203.99767	6.4
208.02818	40.3
218.01399	4.1
226.03880	49.5
226.35323	3.3
227.12650	3.6
232.02834	4.8
232.60184	3.6
236.02173	3.6
241.05363	5.5
244.05144	4.0
249.05484	4.6
250.03865	27.8
251.09578	10.9
255.15915	20.3
257.19003	6.9
261.29715	3.5
265.49258	3.5
268.05042	17.9
269.10727	9.8
269.17447	36.7
274.07455	7.4
275.20074	22.4
276.09143	15.9
291.06534	3.5
292.08533	22.0
292.11655	3.6
293.05890	3.3
297.11584	4.3
313.11563	3.7
318.10132	6.4
324.12784	21.4
327.55408	3.3
342.13644	17.2
349.23682	19.8
360.14880	4.4
367.24747	4.0
384.14774	4.7
402.16388	3.7
403.13095	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	402.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81048	0.6
55.05492	2.0
55.51308	0.6
56.69529	0.5
57.07076	0.9
67.05517	3.8
69.07079	5.4
70.06598	0.9
71.52947	0.7
77.09379	0.6
79.05492	3.7
81.07063	32.9
82.06555	1.0
83.08626	1.0
84.08151	50.1
88.07664	0.7
92.05903	0.7
93.07050	6.4
95.08620	11.6
99.10226	0.6
100.07640	0.9
105.07021	1.5
107.08601	5.1
109.10147	5.5
119.08593	0.7
121.10161	6.6
123.11714	2.3
124.84776	0.6
128.07089	2.3
130.08650	100.0
133.10114	0.7
135.11694	2.1
137.13260	2.0
137.31067	0.5
149.13275	3.3
161.13324	0.7
163.14719	0.6
205.19695	0.7
215.78725	0.6
234.88417	0.7
248.96458	0.6
283.26257	1.6
298.39685	0.6
402.18280	2.2
402.38318	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	402.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
57.03423	2.3
57.07084	100.0
61.02909	1.2
68.99744	0.8
69.03090	1.5
69.03439	19.8
70.06581	1.5
71.00977	1.6
71.04991	1.3
72.08149	0.7
72.33463	0.7
79.05511	0.8
81.03428	21.7
81.07055	1.0
85.02917	36.3
85.06085	1.5
85.06555	21.8
89.63364	0.7
91.05492	1.4
93.07053	1.0
97.02909	18.1
99.04463	3.5
103.03927	2.3
103.05463	1.0
103.07600	17.8
108.04498	1.3
109.02891	20.1
121.06531	12.4
121.85509	0.8
127.03938	31.2
145.04982	13.4
145.08653	1.4
160.12732	0.8
175.14783	1.4
187.09665	2.3
187.14812	0.8
211.09677	3.4
228.20117	0.9
229.08759	2.0
229.10736	35.8
247.11809	90.4
248.12225	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39225	3.0
53.03935	4.4
55.01868	4.9
55.05513	19.7
56.96307	4.6
56.96570	74.4
57.03424	14.0
60.08970	3.3
67.05509	43.3
68.26801	3.1
69.07072	30.2
71.04987	6.5
71.53268	4.5
79.05065	4.7
79.05489	37.1
81.03397	4.2
81.07072	44.3
83.04970	6.5
83.08607	10.9
85.06545	4.5
91.05482	34.8
93.07053	65.4
95.04975	10.8
95.08608	23.8
97.06545	8.2
97.10176	6.4
98.97588	100.0
105.07040	22.8
107.04984	16.0
107.08595	31.3
109.06465	5.1
109.10138	11.7
111.08087	4.8
116.98637	65.2
117.07003	14.1
119.08580	19.4
121.06498	7.8
121.10107	14.8
121.65959	3.1
123.08002	3.6
125.09620	5.4
129.07024	4.4
131.08604	13.3
133.10149	19.2
134.06013	7.8
134.99672	24.7
135.11694	23.0
139.01559	3.3
140.00146	7.3
141.02220	8.2
145.10124	10.0
147.11723	6.8
149.09645	10.0
149.13239	11.5
158.01289	4.3
159.11691	14.4
161.13187	3.4
163.00703	15.5
163.11156	5.7
165.05418	4.2
173.13255	3.1
175.22501	3.0
177.12755	7.4
181.01738	15.3
183.03229	3.5
189.11134	3.6
190.01749	4.3
195.13815	4.4
197.01248	3.9
201.04337	19.3
203.99767	6.4
208.02818	40.3
218.01399	4.1
226.03880	49.5
226.35323	3.3
227.12650	3.6
232.02834	4.8
232.60184	3.6
236.02173	3.6
241.05363	5.5
244.05144	4.0
249.05484	4.6
250.03865	27.8
251.09578	10.9
255.15915	20.3
257.19003	6.9
261.29715	3.5
265.49258	3.5
268.05042	17.9
269.10727	9.8
269.17447	36.7
274.07455	7.4
275.20074	22.4
276.09143	15.9
291.06534	3.5
292.08533	22.0
292.11655	3.6
293.05890	3.3
297.11584	4.3
313.11563	3.7
318.10132	6.4
324.12784	21.4
327.55408	3.3
342.13644	17.2
349.23682	19.8
360.14880	4.4
367.24747	4.0
384.14774	4.7
402.16388	3.7
403.13095	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	402.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
54.23104	0.6
55.01870	0.8
55.05501	0.7
58.96235	0.6
61.02923	1.7
69.03423	3.4
70.06584	1.8
71.52622	0.9
72.08135	1.0
79.05485	1.2
81.03424	1.5
81.07086	0.9
84.08157	1.0
85.02905	14.7
86.09712	1.7
91.05480	1.9
93.07043	1.0
95.08595	0.8
97.02887	5.0
98.97583	0.7
99.04466	1.2
105.07051	5.7
107.04949	0.9
109.02897	1.0
115.05454	0.9
117.06999	5.4
121.06481	1.6
121.10168	4.2
127.03918	2.3
127.17902	0.7
129.07022	1.2
130.07777	4.0
131.04942	1.0
131.08575	1.5
133.06500	9.2
135.08044	1.4
141.06998	1.5
145.04958	2.6
145.06512	6.0
145.10130	13.3
146.27933	0.6
147.08049	3.3
149.06009	4.9
151.07550	8.6
154.07759	1.6
158.07268	2.5
159.08038	6.3
159.11723	2.1
161.09610	0.9
163.07545	1.1
163.11191	16.4
169.10120	6.6
172.08856	2.8
180.08780	0.8
187.11197	43.3
199.57684	0.8
205.12248	100.0
206.12527	1.0
220.09639	1.0
223.13289	39.3
231.17686	0.7
247.13437	1.2
313.14218	0.9
331.15509	1.4
340.59341	0.9
349.16904	0.9
382.27332	0.8
402.21393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
56.96571	100.0
57.02341	1.8
60.04440	1.7
61.18318	1.7
67.05486	2.8
67.66750	1.7
69.07074	2.4
69.32043	1.6
69.85373	8.2
70.06570	1.9
71.95251	3.3
74.97596	2.4
79.05486	2.8
81.07047	2.4
81.66982	1.9
85.06553	5.8
91.05492	8.9
93.07047	18.4
96.76350	1.7
98.96938	3.6
98.97593	69.4
107.04967	59.9
107.08620	13.2
115.29517	1.8
116.98631	41.6
127.03947	2.0
134.99692	13.2
135.11682	7.5
140.00188	5.1
141.02229	6.2
151.07599	2.8
159.03313	4.8
163.00679	24.7
177.02332	3.6
179.00256	2.1
181.01767	25.2
190.01765	3.6
195.03349	5.1
199.02802	4.5
203.99713	3.8
204.03249	2.5
205.01865	2.1
208.02834	50.0
208.04796	2.5
222.00679	3.4
223.02806	2.1
226.03885	87.0
229.14345	2.1
231.06856	4.3
233.71806	1.8
241.05360	5.8
244.05008	8.3
249.05490	9.8
249.08066	5.3
250.03883	23.2
263.06177	1.9
268.04990	21.3
274.07565	8.4
276.09082	14.7
291.06506	5.4
292.08578	59.7
294.10269	9.5
297.11609	5.5
310.09457	4.0
315.10089	4.2
318.10202	50.7
324.12686	12.2
331.13934	5.1
338.13675	2.3
342.13791	38.9
353.16168	2.4
359.12769	3.7
360.14862	13.5
365.15494	2.0
383.16547	1.8
384.14783	60.4
402.15826	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.0
59.04987	1.1
59.86729	0.9
61.02919	1.1
65.67243	0.9
67.05511	1.7
69.03432	1.5
69.07088	1.7
70.06590	0.9
70.66711	1.3
70.67034	1.0
71.04993	8.3
79.05503	5.1
81.07066	36.9
82.31057	0.9
85.02913	4.5
85.43678	0.8
87.08102	2.7
91.03178	1.2
91.05491	1.3
93.07072	2.1
95.08614	1.2
97.02906	1.6
99.08107	14.8
107.08608	5.2
109.06525	1.2
109.10145	4.1
115.03125	1.4
119.02628	10.6
123.11713	8.4
133.10112	2.9
145.04143	2.3
151.11198	5.7
169.07809	5.2
187.08856	6.4
205.09930	100.0
206.10315	1.4
217.08455	1.0
317.81003	0.8
384.15164	1.3
385.21323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.01873	1.9
55.05535	1.0
56.96584	1.1
57.03430	5.0
58.06613	1.3
59.05003	1.7
61.02661	1.3
61.02924	8.7
69.03438	15.9
70.06597	4.7
71.05006	2.5
72.08156	10.6
73.02924	3.8
74.06090	3.7
74.15534	1.2
81.03430	6.9
84.08150	3.8
85.02912	100.0
86.09719	2.1
87.04467	6.5
91.03957	4.8
97.02901	25.0
98.97598	1.4
99.04467	3.5
105.05495	1.4
105.07048	2.2
107.04961	1.5
109.02900	9.9
110.07120	1.5
119.04942	1.4
120.08126	2.6
121.06500	1.3
124.03934	2.0
127.02984	1.6
127.03922	29.7
127.04818	2.1
132.08099	4.8
133.06090	3.7
137.05980	2.2
143.11842	2.3
145.04967	64.4
151.02187	1.1
154.04971	1.8
160.07590	1.8
163.03909	3.1
163.06021	25.0
171.11278	1.7
181.05014	1.8
191.07074	1.4
194.11768	10.7
197.08165	1.6
222.11308	3.4
223.11760	5.4
232.12910	3.2
237.02797	1.7
240.08856	1.7
240.12338	22.6
249.09694	1.6
325.11108	2.0
402.04852	2.2
402.17603	5.8
402.24591	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17533	2.0
56.96569	100.0
56.96852	5.1
60.51795	2.8
67.05492	4.0
69.07069	4.2
70.77159	4.3
79.05499	3.9
85.06547	4.0
91.05471	8.8
93.07048	15.0
98.97592	69.7
105.07018	2.7
107.04964	55.3
107.08588	12.3
109.06541	3.0
109.10204	2.2
114.86269	3.0
116.98631	30.5
121.06491	3.6
121.10081	2.0
134.99657	9.8
135.11714	6.9
140.00197	4.4
141.02249	6.7
151.07620	3.4
153.58736	2.6
158.01268	2.6
159.03288	6.4
163.00688	20.7
177.02278	4.0
181.01772	23.3
190.01825	3.9
195.03319	8.6
197.01236	2.7
199.02754	6.0
203.99654	6.4
208.02829	52.9
220.02721	2.3
226.03886	83.5
231.07068	2.7
241.05333	5.0
244.05019	6.9
249.05453	8.0
249.07903	4.2
250.03871	23.3
263.05832	3.3
268.04984	23.1
274.07709	4.0
276.09079	15.8
291.06567	6.1
292.08557	55.0
294.10202	7.7
295.10001	3.0
297.11679	3.4
303.12650	2.9
310.09622	3.3
318.10110	48.2
324.12683	12.1
331.13815	3.8
342.13806	42.3
360.14795	12.7
378.56906	2.5
384.14743	57.6
402.15887	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	5.4
55.01870	15.6
55.05511	8.9
57.03437	4.6
57.07082	70.6
67.05521	26.8
69.03431	24.6
69.07065	19.4
71.05001	10.5
71.08638	54.4
71.52744	4.9
73.02926	12.0
77.00629	4.3
81.03416	42.3
81.07064	34.4
83.08643	22.5
85.02884	8.5
85.10203	31.7
95.08626	49.5
97.02898	95.2
97.10189	8.0
99.04468	71.0
109.02904	38.7
109.10164	24.0
111.11719	4.1
123.11718	15.8
127.03933	100.0
127.04831	7.3
139.04269	19.5
145.04984	20.9
165.16415	3.4
230.38962	4.1
239.23740	69.8
257.24432	3.9
383.28061	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	401.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50422	2.1
53.03932	3.3
55.05505	4.0
67.05506	4.9
69.03432	3.1
69.07075	15.2
70.76768	5.1
79.05495	12.3
81.03400	2.4
81.07056	12.7
83.04974	11.2
85.02907	3.2
85.06527	3.0
87.93936	2.2
91.05492	12.2
91.05979	2.3
93.07066	13.0
95.04959	7.1
95.08605	4.4
97.06530	26.6
98.21451	3.1
99.04461	13.8
105.07039	23.5
105.23859	2.1
106.11867	2.2
107.04960	15.4
107.08583	11.7
109.06505	9.4
111.08096	3.3
117.07011	7.3
119.04947	10.0
119.08569	7.1
121.06519	16.6
121.10146	4.2
125.05967	18.4
127.07542	2.2
129.07004	4.5
130.07813	4.0
131.08601	10.7
133.06493	5.2
133.10104	5.6
135.11670	5.8
137.05995	4.5
139.07556	3.0
141.06944	3.1
143.07047	8.0
143.08580	3.6
145.06511	3.8
145.09053	4.3
145.10127	45.3
147.08018	2.8
147.11690	3.1
148.58765	2.1
153.05524	3.6
157.08737	2.4
158.07378	3.0
159.08006	6.7
159.11711	15.2
163.11191	100.0
167.07076	7.1
169.10106	5.8
171.11763	3.2
173.09650	29.0
181.05002	2.6
187.11176	25.9
191.10641	19.3
205.12273	21.6
209.11659	3.7
215.10690	29.2
217.08611	4.1
233.11714	37.1
251.12837	4.3
269.08072	2.5
315.08640	11.1
330.10901	8.6
331.11658	3.9
383.14996	5.6
401.16257	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	401.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01869	6.3
55.05506	13.1
67.05495	17.2
68.04340	3.9
69.03426	10.0
69.07074	66.7
70.42680	5.9
70.43060	8.3
71.05010	12.2
79.05502	29.2
81.07068	31.4
83.04985	40.5
85.02908	8.3
85.06546	9.5
87.08126	17.2
91.05498	21.8
91.43698	4.0
93.07057	31.3
95.04961	14.8
95.08614	10.2
97.02929	6.2
97.06543	66.6
99.04450	27.2
104.95904	4.3
105.07051	50.6
107.04945	22.6
107.08591	28.1
109.06526	15.7
109.10144	9.1
117.07039	11.4
119.04949	7.8
119.08607	19.2
121.06510	35.3
121.10204	12.1
123.04443	4.1
123.11744	6.1
123.31092	5.0
125.06011	66.0
127.07649	5.2
128.06197	5.5
129.07065	7.1
130.07759	6.4
131.08574	23.9
133.06528	11.4
133.10155	18.7
135.08049	6.4
135.11707	24.0
137.05991	11.3
139.03922	6.2
143.07057	33.3
143.08527	9.7
143.10712	5.7
145.06485	12.6
145.10138	87.9
147.11713	15.1
151.07530	7.4
155.08493	9.9
158.07237	9.8
159.08061	12.9
159.11700	31.1
163.11203	100.0
167.07053	15.7
167.08405	5.3
169.10172	11.7
171.11598	4.7
173.09636	74.9
177.12674	4.7
179.08630	4.0
180.01596	4.8
187.11176	59.2
191.10620	27.5
193.13766	5.5
197.09610	10.4
203.18011	7.4
205.08696	3.9
205.12242	43.8
209.11624	5.0
215.10701	65.9
217.08597	8.6
221.19090	7.2
233.11748	52.4
248.08307	4.3
251.12773	7.5
265.08490	5.0
314.55161	4.2
315.08667	14.3
330.11081	16.0
351.12360	3.9
383.15057	18.3
400.24567	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	401.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.4
53.35872	6.8
55.01864	19.5
55.05508	23.4
57.03425	23.1
57.07072	7.9
61.02930	11.0
67.05499	23.0
68.99776	12.8
69.03439	67.9
69.07073	41.4
70.06592	17.6
71.05000	44.3
72.07400	5.5
72.08157	49.8
79.05484	52.5
81.03437	43.5
81.07058	73.2
83.04980	16.0
83.08583	10.7
84.08149	8.3
85.02909	95.6
86.03264	8.2
86.09698	21.2
87.00827	24.3
87.04468	25.3
91.05488	67.1
93.03405	9.5
93.07052	69.0
95.04965	25.3
95.08641	30.9
97.02904	56.7
98.03229	9.0
98.21533	16.9
99.04456	16.3
99.08073	9.0
102.05549	7.6
103.03942	14.3
105.01853	15.0
105.03383	10.2
105.07040	62.0
107.04971	20.4
107.08600	53.0
109.02900	42.2
109.06528	73.2
109.10176	38.1
110.07151	6.1
111.04453	13.1
115.03963	46.5
117.07045	24.0
119.04961	12.6
119.08605	59.3
121.02883	12.5
121.06509	32.4
121.10150	21.3
123.04452	21.7
123.08067	13.1
123.11724	20.9
125.06023	9.8
127.03902	39.8
128.06224	10.1
129.01843	18.7
129.07016	18.2
130.04984	6.4
131.04941	9.3
131.08595	34.2
133.04999	20.8
133.06537	17.8
133.10138	25.1
134.05310	8.3
135.04454	6.9
135.08026	10.2
135.11685	21.4
137.06004	8.0
137.09599	17.7
137.13261	9.1
143.08626	13.8
145.04971	18.0
145.06491	14.9
145.10103	38.3
147.04428	15.7
147.08069	18.4
147.11688	13.5
149.09634	13.3
151.03940	9.0
151.07576	9.2
151.11145	14.3
152.90520	6.9
153.12784	21.3
157.06555	6.9
159.04434	14.4
159.08080	12.6
159.11702	14.1
160.71930	7.2
161.05981	13.2
161.09653	9.0
163.03897	13.1
163.06041	7.8
163.07445	7.2
165.12816	15.5
167.07063	28.4
171.04466	21.2
171.08133	7.8
173.09656	46.3
175.03914	20.2
175.07581	12.7
175.11182	9.4
177.05516	15.5
177.12833	30.7
183.08090	10.1
187.03940	30.0
189.03966	9.7
189.05507	27.6
189.12753	11.4
191.03392	17.0
191.06943	7.9
191.10573	12.0
193.04948	12.2
193.12335	6.7
195.13774	34.3
199.03909	13.4
201.03871	13.3
201.05554	8.3
203.03491	14.1
205.04918	49.5
205.08583	9.1
207.06639	9.4
207.13773	7.3
209.04449	25.3
213.05576	8.8
215.03329	26.0
217.04990	44.7
217.08525	10.8
219.02850	14.4
219.13873	8.5
221.04456	69.6
223.06091	14.7
227.03377	7.3
229.05013	15.2
231.06619	9.7
232.17046	19.1
233.04433	94.7
235.05949	66.5
237.14909	13.4
241.04991	22.9
243.13863	24.8
244.17015	14.2
245.04440	36.7
247.05991	11.8
250.18059	23.0
251.05482	100.0
253.04834	7.9
254.05611	7.9
257.04596	11.9
259.05933	35.6
261.04016	12.2
261.14941	26.8
262.18146	13.3
263.05536	36.2
269.04510	13.5
269.07834	6.3
271.06207	7.0
271.09540	7.6
273.07535	14.3
275.05426	67.3
277.07156	34.6
281.06573	22.1
287.05518	53.0
289.07098	11.7
293.08023	9.7
299.05536	46.9
301.07016	30.7
305.06512	45.3
315.08691	20.0
317.06567	47.3
319.08380	12.6
329.06650	28.3
330.11002	23.4
335.07657	17.1
347.07632	21.9
347.14902	12.3
351.12317	14.5
365.15897	16.8
369.16428	7.6
383.15378	10.8
401.17050	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	401.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43761	4.3
51.29973	3.7
53.03944	10.3
55.01858	16.3
55.05498	15.1
57.03431	9.9
61.02920	8.6
67.05495	19.3
68.99780	7.4
69.03437	54.3
69.07049	13.1
70.06590	5.0
70.33739	3.7
70.43617	10.9
71.04974	12.4
73.02896	11.7
79.05489	29.1
79.69428	3.7
81.03417	45.8
81.07056	69.5
83.04977	13.0
83.08630	4.7
84.08125	8.5
85.02448	7.1
85.02910	91.5
86.09708	7.5
87.00835	34.4
91.05475	29.9
93.07049	69.5
95.04946	13.3
95.08624	50.9
96.76146	4.0
97.02878	27.1
97.06529	13.6
99.04452	12.6
103.03922	5.8
105.01862	32.7
105.07040	39.6
107.05008	25.5
107.08607	100.0
109.02878	29.2
109.06502	12.3
109.10148	15.7
110.30067	3.7
111.04414	8.7
111.08099	4.2
115.03964	8.3
116.98054	3.9
117.07001	11.1
119.08568	17.8
121.02843	6.2
121.06497	14.1
121.10139	13.4
123.04427	14.7
123.08057	7.3
125.06005	5.0
127.03931	55.0
129.01825	7.6
129.06992	6.9
131.08553	18.1
133.06479	5.5
133.10114	14.1
135.08069	6.0
135.11708	67.1
137.05966	10.3
137.09666	5.0
137.13228	15.0
144.05638	6.2
145.04955	17.3
145.06494	7.5
145.10101	17.2
147.04390	6.9
147.08084	9.9
147.11668	15.1
149.05998	5.4
149.09615	6.8
151.07579	5.2
153.12741	30.3
155.08470	4.2
156.05693	6.1
157.10139	8.7
159.02904	12.1
159.08040	13.6
159.11703	9.1
161.05968	6.3
163.11134	27.1
165.12750	18.1
167.07072	65.3
173.09637	11.2
175.11183	11.8
181.12187	5.8
187.07536	5.6
189.03981	4.7
189.12704	8.6
193.08554	6.3
193.12218	10.5
201.12819	6.8
205.04906	5.0
205.08594	10.9
205.12300	4.6
208.05222	14.9
215.14262	8.3
217.08611	21.5
219.08052	14.5
219.10176	5.1
219.13820	10.7
220.14163	7.3
221.14265	5.6
225.12756	5.1
231.04878	8.5
231.08203	6.7
234.07498	5.6
235.07756	5.8
236.04800	7.5
243.13770	19.3
247.07414	8.2
247.09586	14.4
248.08212	10.6
254.05769	10.0
261.14877	51.1
263.10529	6.3
269.08093	17.1
271.09567	5.7
279.10059	6.8
279.15802	8.4
281.08298	9.0
282.08694	6.0
293.08130	9.1
297.16931	7.0
307.09521	9.5
310.08264	7.1
315.08612	65.6
319.09381	6.4
321.17041	20.2
323.12811	5.5
326.76434	5.0
330.11005	75.1
331.11758	12.9
339.12103	8.5
339.69824	4.3
343.11819	9.4
347.14987	36.4
351.12131	17.1
355.12747	4.3
365.15891	19.2
368.12540	10.8
383.14740	62.9
384.79944	4.5
401.14197	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	14.4
55.01866	13.8
55.05505	17.3
57.03436	10.6
57.07074	10.1
59.04973	6.6
61.02950	11.4
64.72134	5.0
67.05501	24.2
68.99790	8.2
69.03434	79.3
69.07069	59.4
69.39938	32.6
71.05003	54.2
73.02929	5.1
79.05498	41.1
81.03432	36.4
81.07063	100.0
83.04973	13.2
83.08610	9.6
85.02914	78.0
85.06535	11.6
87.00832	37.7
91.05490	53.1
93.07046	66.9
95.04957	22.2
95.08622	37.8
97.02898	42.9
97.06528	33.6
99.04454	18.3
99.08102	5.9
103.03978	11.6
105.01875	13.8
105.07032	65.9
107.04953	17.1
107.08616	52.5
107.78928	4.5
109.02870	25.8
109.06535	53.6
109.10154	29.7
111.08086	7.1
115.03940	19.6
117.07007	20.6
119.04926	9.6
119.08595	81.2
121.06538	40.9
121.10130	21.5
123.08076	11.8
123.11694	15.6
125.05994	18.5
125.09622	5.9
127.03935	30.4
127.11166	7.2
129.01820	12.5
129.07001	10.6
130.07771	6.0
131.04889	5.4
131.08563	33.1
133.06503	12.2
133.10121	20.2
135.08037	13.5
135.11688	49.9
137.05923	8.5
137.09615	19.8
137.13251	12.9
139.03909	8.5
139.11188	5.4
141.06964	6.0
143.06972	10.2
143.08563	15.5
145.05008	7.7
145.06450	7.9
145.10136	71.9
147.08070	27.3
147.11694	17.7
149.09633	13.7
151.07571	12.1
151.11182	18.8
153.12773	26.6
155.08545	14.4
157.10083	10.0
159.02852	8.7
159.08041	15.3
159.11696	29.8
161.09642	8.5
161.13268	8.3
163.07573	6.2
163.11200	70.0
165.12776	19.9
167.07036	20.8
169.10004	4.9
171.08049	6.0
171.11720	5.3
173.09642	82.2
173.13377	6.1
175.07553	14.8
175.11176	8.7
176.95296	4.8
177.12740	24.0
179.10667	5.2
181.12247	11.2
187.11171	25.3
189.03877	8.7
189.12732	12.9
191.10687	32.6
195.13791	17.9
197.09560	5.4
201.03848	9.9
201.12750	6.9
205.12256	20.0
207.13750	7.6
208.05156	6.2
209.11786	6.9
215.10696	27.2
215.14264	10.2
219.13805	10.3
227.12851	10.6
231.04965	24.7
233.11803	26.3
237.15147	7.2
243.13866	24.9
251.12672	18.2
261.14911	29.9
279.15805	8.2
315.08664	15.6
330.10989	18.0
339.12067	9.0
343.06372	6.2
347.14890	6.3
355.11780	6.2
365.15787	15.0
383.16324	15.0
401.17520	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	401.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12081	5.0
53.03935	19.3
55.01853	18.4
55.05505	17.3
57.03435	7.2
57.07055	6.1
59.04974	6.2
61.02909	6.4
67.05519	38.1
68.99778	9.4
69.03436	43.1
69.07076	50.1
69.34613	43.7
70.06588	8.9
71.04993	40.1
73.02890	6.4
79.05506	46.3
81.03409	30.2
81.07062	100.0
83.04962	17.7
83.08606	17.0
85.02904	47.9
85.06535	18.3
85.54535	5.1
86.58556	5.2
87.00820	22.9
91.05489	44.5
93.07059	65.2
95.04971	37.2
95.08614	39.3
97.02901	31.8
97.06531	46.8
97.10184	5.7
98.20761	6.8
99.04459	24.2
99.08105	7.3
104.07438	4.8
105.01872	9.4
105.07046	65.8
107.04960	19.4
107.08598	72.8
109.02884	20.1
109.06542	63.9
109.10166	36.3
111.04435	6.9
111.08089	6.9
115.03899	8.1
115.05452	5.7
117.07016	14.5
119.04984	9.7
119.08581	50.8
121.06506	37.5
121.10130	25.1
123.04437	5.6
123.08101	13.6
123.11694	22.1
124.09439	5.0
125.06004	21.0
125.09609	12.1
125.13239	8.7
127.03938	25.9
127.07549	20.2
127.11196	7.7
127.73336	5.2
129.01862	12.4
129.07013	13.6
130.07765	7.9
131.08571	27.8
133.04968	6.8
133.06461	12.6
133.10124	21.8
135.04405	6.4
135.11693	52.4
137.06027	27.0
137.09621	8.5
137.13271	11.8
139.03886	12.1
139.11229	6.7
143.07018	10.8
143.08563	14.3
143.10683	14.0
145.06464	8.5
145.10146	61.5
147.08029	10.2
147.11693	19.7
149.09653	8.6
149.13347	5.3
151.03853	5.4
151.07555	53.6
151.11150	14.6
153.01778	6.4
153.12730	14.9
155.07036	5.1
155.08505	8.3
157.10115	5.7
159.08025	14.8
159.11690	26.2
161.13347	6.1
163.10028	8.3
163.11201	77.1
163.14935	6.3
165.05551	4.7
165.12703	9.6
167.07056	33.6
173.09622	52.3
175.07523	11.0
177.12738	20.7
181.04889	13.1
187.07559	6.5
187.11198	45.6
191.06894	5.8
191.10767	26.8
195.13814	10.0
197.13313	7.1
201.03951	5.7
203.10655	7.2
203.17987	13.4
205.12277	31.2
209.11717	10.7
215.10658	31.8
215.14363	5.3
217.08560	10.2
219.13728	6.5
221.19054	6.9
223.13345	6.5
231.04987	13.1
233.11732	43.6
237.14868	12.6
243.13869	16.6
251.12828	32.5
261.14902	14.1
269.07986	9.7
269.13708	8.3
279.16040	9.9
291.10052	6.8
315.08606	21.3
319.09717	6.5
330.11090	28.9
343.12009	5.7
351.12216	5.3
357.08823	6.0
365.15756	14.1
371.14880	9.7
383.10776	11.2
383.15363	20.6
401.11453	7.1
401.15469	28.8
401.24734	9.5
415.97943	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.16
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03942	4.9
55.05505	2.5
57.03443	3.1
63.69344	2.1
67.05492	5.5
69.03415	8.2
69.07077	4.7
69.17714	24.6
71.04979	3.5
79.05497	19.7
81.03407	4.3
81.07039	10.5
83.04983	3.6
84.08150	2.4
85.02915	5.5
85.06567	4.6
91.05486	13.9
93.07039	8.8
95.04980	5.6
95.08616	8.9
97.02892	7.7
99.04474	2.9
105.07043	7.3
107.04968	41.4
107.08590	8.6
109.02888	4.9
109.06513	6.0
109.10196	5.5
111.04413	2.5
113.06002	2.8
115.05480	5.4
116.06250	3.8
117.07016	5.9
119.04950	2.9
119.08583	4.6
121.06538	3.2
121.10188	2.2
123.04446	6.1
123.11693	3.4
124.05208	7.0
125.05978	4.1
127.03941	3.9
129.07034	11.3
131.04929	4.2
131.08554	16.1
133.10069	2.5
135.07977	2.1
135.11690	4.4
137.05965	4.4
139.03888	3.1
141.07016	5.3
144.05685	9.0
145.06490	5.0
147.04433	4.9
151.03957	2.7
151.07619	2.9
153.05505	2.8
155.07045	2.5
156.05693	14.3
157.06502	5.0
158.07303	3.7
159.08052	19.3
161.05989	5.6
163.03902	4.8
165.05481	7.5
167.05641	4.9
167.07065	95.5
169.06445	5.3
170.07330	2.5
172.05298	2.1
173.05998	2.7
174.06677	2.6
175.07614	3.1
177.12798	3.3
179.07054	3.6
181.04965	6.7
183.06584	4.9
184.05205	3.0
186.06732	5.2
187.07600	14.6
191.07005	3.5
191.08592	4.1
191.10782	2.8
195.06586	4.6
195.13725	2.7
202.06187	9.6
202.07834	3.4
203.06949	3.8
203.08763	3.0
205.06720	4.3
205.08551	20.7
207.06491	7.8
207.10072	3.0
208.05241	16.8
208.08774	3.8
209.07994	2.4
217.08612	42.7
218.07256	3.4
219.08086	14.8
219.10234	8.9
220.08858	6.7
221.06033	5.2
221.07980	3.7
225.05457	2.8
229.08629	5.3
231.08049	9.3
231.10190	5.1
232.08893	2.5
233.06120	3.1
233.09586	6.1
234.06833	4.3
235.07542	4.9
235.11223	3.3
236.04718	5.2
236.08235	3.5
238.06438	3.0
239.06935	3.3
243.13600	2.6
245.09549	6.4
246.06499	2.7
247.07521	9.4
247.09671	22.9
248.08412	12.9
249.05536	2.7
249.09070	6.5
250.06161	2.7
251.10664	6.1
254.05759	9.1
258.06766	2.8
259.07602	3.6
260.08521	2.5
261.09195	4.3
262.06366	2.5
262.09851	4.8
263.07089	6.5
263.10660	8.5
264.07816	10.0
265.08670	9.8
266.05713	2.8
267.06543	5.8
269.08115	19.6
271.09647	9.0
272.06644	3.9
275.07028	8.8
276.07898	7.6
277.08612	7.8
278.05685	4.2
279.10165	9.3
281.08289	4.4
282.05624	4.0
282.08865	11.2
285.07526	2.5
287.09149	2.7
289.08569	3.0
290.09369	6.2
291.10172	16.7
292.07339	4.8
293.08286	10.9
296.10498	3.7
299.09192	5.5
301.07114	3.1
304.07306	2.8
305.08148	3.7
306.08939	2.4
307.09631	14.6
308.10446	6.7
309.11169	4.5
310.08206	6.1
311.12891	4.2
315.08646	75.0
318.08868	2.5
319.09671	11.3
321.07678	4.0
322.08243	2.7
323.12726	16.7
328.09430	2.8
330.10989	95.3
331.11765	16.1
336.09891	7.0
337.10852	11.2
339.12424	15.7
341.10025	2.6
343.11746	15.9
350.11597	3.2
351.12225	29.2
352.12836	4.8
353.10205	7.8
356.12662	5.4
357.13092	2.5
368.12646	7.9
369.13284	8.5
371.14944	9.6
383.14932	100.0
401.11469	3.7
401.16019	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1598
Annotation	Gomisin R
Peak:m/z	Relative Intensity
50.77863	1.3
51.09288	1.6
59.92861	1.6
69.54734	1.6
70.69595	3.8
71.04990	1.4
76.27303	1.3
78.04706	1.9
79.05506	11.0
81.07082	1.8
91.05474	4.4
103.05491	2.3
107.04971	23.0
109.06526	2.0
115.05449	3.4
123.04483	2.7
124.05209	4.1
126.55434	1.3
129.06996	3.4
131.08606	5.0
133.06448	1.9
135.04391	4.1
137.05916	2.0
141.06993	4.2
144.05733	3.1
145.06516	5.0
152.04723	3.3
156.05748	8.2
157.06517	3.6
159.08061	11.6
161.06009	3.9
163.03944	1.9
165.05583	1.5
167.07054	70.9
169.06488	2.3
173.06067	4.8
175.07407	2.0
175.47356	1.4
181.04991	1.5
181.08411	1.6
183.06528	1.5
184.05244	2.8
187.07533	7.5
190.06216	2.5
190.07825	3.3
191.07043	2.8
191.08653	2.7
195.06480	3.6
197.06064	1.8
201.08839	1.5
202.06302	3.8
203.08604	2.0
205.08592	11.8
207.06505	6.6
207.08191	1.7
208.05215	21.4
208.08875	2.6
211.07574	1.7
215.08588	2.2
217.08640	24.7
218.07344	4.2
219.08075	8.3
219.10231	3.6
220.08862	4.3
221.05978	4.7
222.02933	1.9
227.07004	1.9
229.08606	5.3
231.08081	5.9
231.10165	1.9
233.09689	4.1
235.07486	2.3
236.04753	9.6
236.08446	3.3
240.04327	1.6
241.08794	2.2
245.09723	3.0
246.06830	2.3
247.07809	11.4
247.09642	13.0
248.08345	10.5
249.05379	2.5
249.09363	2.9
250.02708	1.9
250.06111	2.8
250.10043	1.6
251.10687	3.1
254.05807	10.3
255.06450	2.3
257.04459	2.6
259.07599	4.0
261.09195	4.4
262.09906	4.5
263.07071	1.8
263.10660	5.5
264.07855	4.2
265.08609	3.1
266.05746	2.1
267.06497	7.5
269.08096	24.1
271.06409	1.4
271.09723	5.0
272.06824	5.3
275.07047	6.0
276.07684	6.9
277.08524	5.0
279.06955	1.9
279.10129	6.9
281.08014	2.5
282.05557	3.1
282.08908	11.5
285.07645	2.7
289.08636	1.9
290.09521	3.6
291.06882	2.4
291.10095	13.1
292.07269	2.1
293.08344	6.9
293.11029	2.0
295.09473	1.6
299.09125	4.2
300.06174	2.1
301.07169	2.7
305.08051	4.5
306.08859	2.2
307.09525	9.1
308.07285	1.9
308.10489	7.1
310.08340	7.8
311.12756	2.1
315.08633	93.9
319.09549	7.3
321.07941	3.0
321.11188	2.6
323.12793	13.9
325.10907	2.0
328.09476	5.3
330.10986	100.0
331.11703	11.5
336.10040	2.8
337.10733	7.5
338.11542	2.5
339.12402	10.2
343.11780	20.2
351.12299	25.7
352.12997	4.6
353.10159	5.8
355.11960	1.8
356.12628	3.3
368.12766	9.3
369.13306	4.8
371.14960	5.5
383.14908	71.0
401.12073	2.4
401.16202	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33070	1.4
55.01870	2.7
55.05497	1.7
57.03432	1.5
67.05511	3.0
69.03429	5.1
69.07065	2.6
70.06579	3.7
71.05012	1.9
72.08141	1.8
78.96344	1.3
79.05505	13.0
81.03403	4.7
81.07068	11.0
83.04992	3.3
83.73936	1.4
84.08103	1.4
85.02905	9.7
87.00815	3.3
89.03936	1.4
91.05473	8.1
93.07058	10.2
95.04984	3.7
95.08608	4.2
97.02897	3.6
97.06525	2.6
98.95142	1.5
105.01848	2.0
105.07025	6.2
107.04962	19.5
107.08592	10.6
109.02878	2.4
109.06510	2.8
109.10155	3.4
114.55232	1.3
115.05460	4.3
116.06199	1.6
117.07073	2.3
119.08591	4.1
121.06516	2.9
123.04421	6.5
123.11712	1.5
124.05194	4.5
125.06030	1.7
127.03944	3.5
128.06223	2.4
128.17122	1.5
129.06992	5.3
131.08615	7.3
133.06563	2.5
133.10110	3.0
135.08052	1.9
135.11726	16.4
137.05927	1.6
139.03972	2.5
141.06995	3.1
144.05659	4.7
145.06438	2.9
145.10139	3.3
147.11644	2.1
152.04655	2.5
153.05458	1.5
153.12767	2.0
156.05736	9.3
157.04454	1.4
157.06535	1.6
158.07298	1.9
159.08070	9.9
159.11627	1.7
161.06049	2.4
163.03894	2.3
163.11156	2.2
167.07051	78.4
169.06436	3.3
173.06007	3.9
173.66341	1.4
179.07027	1.8
181.04965	2.2
181.06451	1.5
181.08614	2.7
184.05176	2.2
186.06767	2.4
187.07564	7.7
191.07011	1.8
193.08618	2.6
193.12314	2.1
195.06572	2.1
202.06212	3.4
202.07841	3.2
203.08618	1.7
205.06708	2.4
205.08594	13.5
207.06561	4.9
208.05254	22.7
208.08911	1.6
210.06813	1.7
215.06880	2.0
215.08685	1.7
217.08603	31.6
218.07291	4.8
219.08032	7.3
219.10147	3.1
220.08827	5.0
221.05963	5.5
223.11595	2.4
229.08508	2.3
231.08006	4.9
231.10129	2.8
233.05963	2.0
233.09724	2.8
235.07664	2.3
236.04755	9.3
236.08324	5.2
237.08974	1.6
238.06290	1.5
239.07054	2.0
240.04170	3.1
241.08517	1.9
245.09688	2.8
247.07484	10.7
247.09721	16.1
248.08324	10.2
249.05421	2.6
249.09212	3.7
250.02824	1.7
250.06247	1.3
251.07056	2.5
251.10722	2.4
254.05769	10.5
255.06404	2.7
257.04529	2.1
258.06628	2.0
259.07535	3.0
261.09033	4.0
261.14862	3.9
262.09970	3.1
263.07056	3.3
263.10681	6.5
264.07886	6.2
265.08667	6.0
267.06534	4.8
268.03589	2.1
269.08087	27.3
271.06207	2.8
271.09653	6.3
272.06735	4.7
275.07065	4.6
276.07693	6.4
277.08533	4.5
279.10153	6.1
281.08087	2.2
282.05219	3.5
282.08817	9.0
287.09076	3.2
289.08615	2.5
290.09460	3.3
291.10214	10.7
292.07254	2.2
293.08029	9.9
296.10693	2.3
297.11047	2.0
299.09070	3.3
300.06329	2.9
301.07095	3.9
305.08029	3.4
307.09583	10.6
308.10330	6.1
309.11197	2.4
310.08276	6.4
311.12875	2.7
315.08649	76.2
316.09061	3.4
318.08878	2.1
319.09689	7.5
320.10464	1.8
321.07547	4.1
321.11011	2.0
322.08395	2.3
322.11832	2.3
323.12756	12.2
324.09888	2.1
325.10742	2.5
328.09467	5.2
330.10992	100.0
331.11633	11.3
335.09042	2.1
336.09830	4.3
337.10727	5.8
338.07587	2.0
339.12299	9.6
343.11823	18.1
351.12280	23.1
352.12839	2.9
353.10172	4.8
368.12665	7.5
369.13495	3.7
371.14850	4.7
383.14905	61.2
401.16071	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	401.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	2.1
55.01861	2.3
55.57057	1.8
65.84811	2.0
67.05515	2.7
68.24890	1.8
69.03420	5.0
69.53507	12.3
70.06577	2.0
71.04971	2.3
74.99186	1.9
78.04713	2.9
79.05502	17.2
81.03406	2.1
81.07060	4.2
85.02904	10.4
91.05497	12.2
93.07028	2.9
95.04981	2.4
95.08624	2.8
97.02874	5.5
103.05457	2.2
105.07054	11.5
107.04314	2.4
107.04969	34.1
107.08573	6.1
109.06519	2.1
115.05456	7.1
116.06219	2.7
117.07008	5.9
119.05000	3.3
119.08591	30.2
123.04443	4.4
124.05238	4.8
127.03931	3.6
128.06236	3.1
128.48116	1.9
129.07005	10.9
131.08583	17.6
133.06517	3.3
133.10115	20.4
135.04424	2.1
135.08011	5.2
137.05927	2.0
137.09547	2.2
139.03972	1.9
141.06953	5.1
144.05713	8.4
145.06485	7.6
147.04361	2.7
147.11633	2.0
151.11156	3.8
152.04672	6.2
153.08809	1.8
155.07076	2.5
156.05705	21.0
157.06516	5.0
157.10129	3.6
159.08070	19.1
159.11685	13.6
161.05988	4.1
161.09657	17.4
163.03928	3.4
163.07507	6.7
167.07057	100.0
169.06433	3.1
173.05989	4.4
174.06737	2.4
175.11174	7.3
177.12770	2.7
181.05020	3.2
181.06482	2.4
181.08577	4.8
182.07297	2.4
184.05278	4.7
186.06789	5.4
187.07571	8.9
190.06177	3.3
191.07085	1.9
193.12238	22.7
195.06503	1.8
200.08362	2.3
202.06168	5.7
202.07729	3.8
203.08754	2.8
203.10641	26.9
204.07803	2.5
205.08624	16.3
205.34724	2.5
207.06499	6.7
207.10069	2.1
208.05186	22.7
208.08873	3.6
210.06763	2.6
211.07565	3.4
217.06552	4.2
217.08598	47.5
218.07259	4.2
219.08017	12.9
219.10161	5.2
220.08868	6.5
221.06049	5.0
221.09726	4.5
221.11719	28.6
229.08571	8.0
231.08022	7.8
231.10146	3.8
232.08867	4.1
233.05858	4.1
233.09589	4.8
235.07649	4.0
235.11346	2.9
236.04634	7.9
236.08426	4.5
238.06255	2.9
239.07022	3.7
239.12791	4.6
240.04193	3.0
245.09560	3.7
246.06874	3.7
247.07466	14.4
247.09674	31.9
248.08221	11.4
249.05504	4.0
249.08989	3.0
254.05721	10.7
255.06470	3.1
259.07617	2.4
260.08252	2.9
261.09116	6.3
262.06354	3.7
262.09882	4.6
263.06827	2.7
263.10663	7.9
264.07895	6.1
265.08588	6.9
266.05826	2.2
267.06537	4.6
269.08093	24.0
271.05957	2.6
271.09665	6.4
272.06821	4.8
275.07007	5.4
276.07874	11.2
277.08527	4.3
279.06976	2.7
279.10120	12.3
280.10748	2.1
281.08237	3.2
282.05557	3.4
282.08923	9.9
285.07516	2.9
287.09439	2.6
290.09302	5.2
291.10165	16.7
292.07233	5.8
293.08191	9.9
296.10629	3.0
299.09137	2.6
300.06094	3.0
301.06992	4.7
304.07272	2.9
305.08182	4.7
306.08704	2.3
307.09521	11.5
308.10440	7.1
310.08423	5.1
311.12735	3.0
315.08627	88.7
319.09595	10.3
321.07431	5.2
321.11063	2.8
323.12704	11.7
325.10605	2.1
328.09308	4.3
330.10986	96.0
331.11505	11.3
336.09805	5.0
337.10754	4.6
338.11469	3.8
339.12231	15.2
343.11734	17.9
351.12280	33.9
352.13116	3.5
353.10101	7.4
356.12366	4.5
368.12656	11.2
369.13187	5.9
371.14767	7.5
383.14917	83.2
401.16034	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	401.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00961	14.3
79.05463	4.7
81.03436	4.5
82.50407	3.2
94.90939	2.6
115.05482	6.1
128.06227	3.0
129.04193	2.8
129.07021	6.4
131.04939	5.3
133.09221	2.7
133.17691	2.8
135.03404	5.5
135.04427	100.0
143.04944	4.3
145.06474	7.6
147.04410	3.9
148.05096	3.7
149.02415	4.8
149.06017	3.4
157.06465	4.6
159.08023	4.8
161.05969	6.7
161.34303	3.0
166.06224	13.3
166.07506	3.5
173.05977	37.1
181.08615	34.8
185.05984	15.0
187.07588	14.0
188.08310	7.9
189.05434	5.8
201.05431	6.0
201.09125	6.1
202.09900	21.2
203.07037	9.4
204.07770	11.3
209.06059	3.6
211.07530	3.9
216.07803	3.9
218.09444	6.4
219.10181	13.8
231.10168	35.9
233.11707	5.1
238.06151	4.7
240.74928	3.2
254.05779	9.1
261.09387	3.5
261.11316	31.6
267.06458	4.2
269.08093	13.6
275.07059	4.6
277.08566	6.1
282.08890	11.5
291.10132	8.2
293.08310	3.4
297.07526	29.0
298.08371	3.9
303.10239	3.8
307.09692	7.3
312.06662	5.8
312.09946	72.9
312.13315	6.1
313.10635	13.7
319.09607	15.8
321.11249	4.8
322.12061	10.7
323.09079	6.5
325.10822	8.3
334.12042	29.2
335.09155	8.0
335.12839	4.2
338.11545	5.2
350.11404	3.2
353.13889	11.2
365.13913	42.9
383.14902	60.6
401.05362	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.16
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03928	2.0
57.46393	1.5
67.05527	1.7
68.99751	1.5
69.03426	3.9
70.06577	5.0
70.65465	2.7
70.65803	3.1
71.04996	1.9
71.58595	1.7
72.08159	8.9
74.57040	1.5
79.05505	13.9
81.03406	2.1
81.07062	4.0
83.04981	1.7
84.08170	1.8
85.02905	6.2
86.09720	9.2
87.00821	2.4
91.05482	9.6
93.07034	3.2
95.04967	3.2
95.08593	2.3
95.36945	1.7
97.02879	3.2
103.05489	2.0
105.07014	4.7
107.04974	27.2
107.91337	1.9
109.06512	4.2
115.05510	2.7
117.07035	4.0
119.04956	3.5
121.10167	1.8
123.04446	5.3
124.05202	4.8
125.06047	2.3
127.03870	3.3
128.06239	2.1
129.07008	5.6
129.73744	2.0
131.08575	7.1
132.05659	2.6
137.05965	4.1
141.07018	3.0
143.11830	1.9
144.05727	3.9
145.04959	2.8
145.06499	3.3
145.10130	3.0
153.05450	2.8
156.05679	10.0
157.06491	2.0
158.07312	3.0
159.08034	9.3
160.07620	2.5
163.03929	3.9
167.07063	79.4
169.06427	2.1
173.05986	4.0
179.07002	2.8
184.05176	2.5
186.06731	2.7
187.07597	6.0
191.06999	2.6
191.08597	1.9
193.08644	2.2
195.06482	2.9
202.06120	3.0
202.07819	4.1
203.08658	2.3
205.08528	13.8
207.06509	3.3
208.05254	19.8
208.08667	1.8
210.06674	2.1
211.07397	2.2
215.08633	2.0
217.08615	24.8
218.07274	3.2
219.08052	7.7
219.10149	4.7
220.08893	3.7
221.05966	4.9
222.03096	1.6
227.07024	2.2
229.08626	2.9
231.08023	6.8
231.10133	2.8
233.09692	5.9
234.06688	2.5
235.07596	3.5
236.04651	7.8
236.08362	2.7
239.06956	4.6
245.09785	2.1
247.07506	10.4
247.09705	15.5
248.08336	9.1
249.05482	2.3
249.09093	2.7
254.05775	8.1
259.07684	2.8
261.09091	4.6
262.10034	2.3
262.18140	3.1
263.07135	4.4
263.10709	8.1
264.07834	7.7
265.08624	5.3
267.06567	6.1
269.08102	21.7
271.09695	3.8
272.06784	4.6
275.06982	6.0
276.07837	6.5
277.08621	4.7
279.10202	7.9
280.10855	2.4
282.05731	3.1
282.08890	12.7
287.09149	3.1
289.08588	2.3
290.09348	4.0
291.10138	12.0
292.07263	4.8
293.08060	7.8
294.08896	2.6
296.10321	1.7
299.09219	2.9
300.06406	2.6
301.07236	2.7
307.09720	8.2
308.10330	5.9
309.07520	1.9
309.10818	1.9
310.08310	6.4
311.12921	3.5
315.08658	90.0
316.09198	3.3
319.09616	7.2
320.10229	2.8
321.07578	3.0
321.11121	3.8
323.12744	10.8
328.09451	6.1
330.11023	100.0
331.11618	10.6
336.10052	6.5
337.10770	9.6
339.12305	12.1
343.11780	16.8
351.12271	26.0
352.13068	5.5
353.10086	6.2
356.12595	2.9
368.12546	7.5
369.13361	3.7
371.14807	5.1
383.14963	66.4
401.11539	2.6
401.16150	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56515	2.1
67.05504	3.9
71.52971	2.4
79.05505	4.9
81.03413	6.6
81.07067	3.2
87.78319	2.3
91.05482	5.9
92.98226	2.8
100.91978	2.8
105.07016	3.0
107.04942	3.4
109.02869	6.1
115.05425	5.7
129.07014	4.7
131.04958	6.7
131.71851	2.4
133.10101	2.2
135.04431	100.0
143.04948	5.3
145.06421	2.7
147.04413	4.5
148.05132	2.6
151.03917	3.0
159.08101	4.9
161.05923	4.3
166.06248	13.2
169.71866	2.5
173.04573	4.1
173.05994	26.2
173.09590	3.1
175.04001	3.0
181.08601	33.2
185.06026	12.1
187.07558	14.2
187.68312	2.4
188.08324	9.3
189.05504	3.0
189.09305	2.7
193.40413	2.4
199.07571	3.2
200.74352	2.5
201.05475	6.3
201.09135	4.1
202.09923	17.4
203.07082	6.0
204.07831	8.5
209.06090	2.9
217.08534	3.2
218.07310	3.1
218.09401	7.1
219.08328	2.8
219.10144	14.1
230.09381	2.7
231.10126	32.2
233.11769	7.1
237.05513	3.2
238.06317	4.6
239.07043	5.0
249.05490	2.7
249.09117	2.9
254.05830	8.1
261.09058	5.3
261.11328	27.6
263.07040	2.7
267.06607	7.6
268.07361	4.7
269.08124	14.1
275.07303	2.4
276.07874	2.4
277.08551	4.8
279.06879	3.0
279.10059	2.8
282.08859	9.5
290.09265	3.8
291.10178	13.3
292.10724	2.6
293.08026	3.1
297.07541	24.9
303.06595	2.6
303.10065	5.2
304.10931	4.8
305.08176	3.8
307.09805	5.1
307.13226	2.4
309.07758	2.9
312.09949	73.8
313.10791	12.0
319.09656	13.6
322.11859	11.4
325.10666	9.9
333.11142	8.1
334.12076	21.2
335.09164	6.0
335.12756	4.6
338.11514	4.8
339.11713	2.5
350.11545	6.7
353.13873	11.2
365.13864	35.6
383.14905	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78871	1.3
67.05490	1.8
70.77207	3.6
88.07222	1.4
91.05520	2.0
97.13990	1.3
99.16238	1.4
105.07092	1.6
109.10194	1.7
133.06476	1.4
138.17462	1.5
147.08081	1.5
151.07559	20.5
165.05482	27.4
174.06706	1.5
179.07143	2.3
188.08377	1.6
189.09132	5.5
193.04759	1.6
201.09192	3.8
203.07059	3.4
203.10722	1.9
204.07736	1.5
211.07562	4.2
213.09285	1.7
215.07088	4.8
231.08078	1.8
238.06346	1.7
239.06963	4.5
241.08635	4.0
248.08261	1.9
249.09160	1.8
261.09177	3.3
267.06516	3.2
268.07355	6.8
269.08041	14.1
275.10684	2.2
277.08557	3.4
278.57263	1.7
281.08133	2.9
282.08789	3.2
285.07587	6.0
291.10254	3.0
292.10834	3.1
297.07596	14.3
298.08420	2.0
299.09143	2.2
303.10144	2.3
304.10880	2.9
307.09738	3.0
307.13123	2.0
310.08325	4.1
312.09952	100.0
313.10757	8.3
319.09576	4.4
320.10263	2.9
323.12778	2.3
325.10751	13.5
333.11163	3.0
334.11899	8.6
335.09201	1.7
335.12759	6.7
350.11374	2.1
353.13776	6.0
365.13904	23.9
383.14954	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	401.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84461	1.9
53.03953	11.6
55.01879	9.6
55.05520	3.4
57.03436	7.4
59.04999	2.2
61.02917	8.1
65.03946	4.7
67.05496	4.2
68.99799	3.5
69.03086	2.7
69.03436	42.8
69.07076	3.9
70.06595	4.7
71.05000	8.1
71.52628	2.4
72.08153	6.9
72.62759	1.7
73.02937	10.5
75.70444	1.7
76.31190	1.8
79.05489	5.2
81.03426	28.3
81.07056	6.3
83.01337	2.2
83.04974	4.0
84.08168	2.1
85.02911	80.8
86.09715	8.3
87.00840	46.7
87.04480	2.9
91.03956	3.9
91.05480	4.5
93.07050	8.8
95.04955	5.0
95.08598	3.7
97.02902	100.0
97.06544	1.8
99.04468	23.0
105.01873	38.2
105.07063	5.6
107.04955	4.6
107.08626	5.2
109.02898	21.7
109.06556	2.9
109.10168	3.5
115.03902	2.9
119.08623	5.0
121.02876	52.0
121.06495	2.4
121.10152	3.1
123.04434	3.7
127.03933	60.6
129.01865	4.5
129.07045	2.5
131.08583	3.1
133.06355	2.3
135.11681	6.3
137.05977	2.2
145.03062	2.1
145.04970	48.3
145.10132	2.5
147.02919	2.7
147.11719	2.3
151.03938	2.4
151.07631	1.9
153.05484	48.7
158.38332	1.9
159.02940	15.3
163.03900	14.4
163.11128	2.8
165.09174	2.6
167.07077	7.3
173.06006	2.8
187.03944	2.5
205.04953	2.4
217.08549	2.3
221.11716	2.1
229.04999	9.1
231.04977	5.5
231.17116	2.2
245.08177	2.4
247.05952	2.6
247.09639	2.2
254.93581	2.1
269.08044	2.9
293.08093	2.5
298.10980	4.3
315.08707	3.9
330.11084	5.1
351.12305	2.0
357.15182	6.2
364.11795	2.1
383.14932	9.1
401.13159	9.7
401.17816	14.2
401.23047	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	401.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80837	2.4
53.76751	2.3
55.01883	6.9
57.03421	3.7
58.06606	23.3
61.02906	2.9
61.22251	2.8
64.59216	2.5
67.01859	3.5
69.03423	5.3
70.05572	9.3
70.05937	4.9
70.06593	12.5
72.08150	5.4
81.03416	7.0
84.08147	4.5
85.02929	17.0
86.09704	4.8
91.05482	5.2
93.03383	2.9
95.04967	2.8
97.02884	6.8
98.20887	2.9
99.04490	3.2
103.03911	4.0
103.05480	4.7
105.03390	7.9
105.07034	7.2
107.04960	5.9
109.02869	11.3
111.04395	3.1
115.05452	3.3
116.07078	4.8
117.06998	5.2
119.04937	4.6
121.02849	11.0
123.04425	6.6
124.03931	5.3
129.07007	3.6
131.04924	8.4
133.06491	4.0
133.16655	2.5
135.04387	9.1
137.06000	4.1
139.03908	4.1
139.85213	2.7
142.46483	2.7
143.04916	3.0
145.02878	5.8
145.06482	4.9
147.04433	20.1
151.03888	6.2
153.05461	4.9
157.06554	3.8
159.04433	12.0
160.07529	7.0
161.06012	14.5
163.03879	23.6
164.04250	7.8
165.05464	4.8
167.07106	3.6
171.04413	20.4
173.02345	6.2
173.05995	4.2
173.09296	2.9
173.84976	2.5
175.03906	27.4
177.05482	15.7
179.07051	5.6
181.04961	6.7
185.05922	13.2
187.03877	23.1
189.05495	24.3
191.03381	6.9
193.04918	13.3
199.03899	15.8
201.01790	4.6
201.05469	8.0
203.03403	28.2
203.07033	5.2
205.04994	52.5
207.06561	4.6
209.02657	5.9
209.04424	24.5
213.05466	11.7
215.03384	20.4
216.04147	3.4
217.04941	40.1
219.02957	8.4
219.06516	4.2
221.04469	70.3
223.06032	12.4
225.05537	5.0
227.03450	6.2
229.04991	18.8
230.05597	3.6
231.06538	21.6
233.04460	100.0
235.06017	73.1
237.05341	3.8
238.14301	6.9
239.05563	8.4
239.14735	7.1
239.43019	2.7
240.04131	3.5
241.04941	14.6
242.26520	2.7
243.06551	5.6
245.04472	28.9
247.06049	19.8
249.03767	3.2
249.07590	5.0
251.05525	72.7
253.04832	4.7
253.07285	5.4
255.06322	3.7
257.04382	9.8
259.05994	26.2
261.03970	9.1
263.05539	31.8
265.05063	3.1
269.04514	10.0
271.06079	13.5
273.04593	2.6
273.07550	11.1
275.05515	57.6
277.07037	31.8
279.04944	4.0
281.03918	2.7
281.06827	24.9
283.06097	8.5
287.05524	56.2
289.07123	24.4
299.05527	31.6
301.07031	31.6
305.06573	47.8
307.08215	2.6
311.05566	3.4
317.06555	58.8
319.08026	12.3
329.06616	26.1
335.07550	18.6
337.08926	4.9
347.07565	15.8
353.08646	8.9
357.11148	3.4
365.08734	12.5
383.09949	3.7
383.19672	4.3
401.10489	16.4
401.20871	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	401.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.01868	11.9
55.05519	8.5
57.03428	7.6
57.07069	3.0
59.12926	3.1
61.02919	4.7
65.03944	3.0
67.01849	4.8
67.05513	12.2
68.99809	4.7
69.03437	17.4
69.07084	15.4
70.06597	3.9
70.29783	9.8
71.05004	13.4
72.08157	12.2
73.02934	4.2
79.05495	18.4
81.03418	13.6
81.07063	29.4
83.05006	4.7
83.08624	4.1
85.02916	41.2
86.09715	5.8
86.71354	2.7
87.00833	12.1
91.05481	33.1
93.03437	7.8
93.07048	34.3
95.04984	12.9
95.08637	7.3
97.02904	20.7
97.06566	4.8
99.04481	6.5
103.01834	2.8
103.04002	7.6
103.05491	4.5
105.01862	6.1
105.03401	7.9
105.07043	25.7
107.04957	6.4
107.07957	2.6
107.08600	15.8
109.02892	17.5
109.06528	33.4
109.10180	13.1
115.03946	4.4
115.05474	3.8
117.07023	11.0
119.04948	4.7
119.08572	14.8
121.02897	16.0
121.06509	15.3
121.10172	5.4
123.04436	7.8
123.08101	5.1
127.03941	10.8
127.11222	6.6
128.06171	3.8
129.07004	7.1
130.07739	4.3
131.04922	8.4
131.08575	8.7
133.06580	5.9
133.10155	10.3
135.04420	6.7
135.08041	4.5
135.11696	12.4
137.05998	3.3
137.09613	4.2
139.09915	5.2
141.06970	5.1
143.08568	6.5
144.80249	2.6
145.04955	3.2
145.06482	5.6
145.10147	12.2
147.04427	12.7
147.08084	3.2
147.11646	3.7
149.05992	5.7
149.09641	7.3
151.03912	5.1
151.11206	5.3
153.05585	2.9
153.12782	7.4
157.06444	7.8
159.04405	13.9
159.08070	5.7
159.11690	9.1
161.05997	10.0
161.09691	5.4
163.03925	12.9
163.11200	3.9
165.05547	5.7
165.12846	7.3
166.71759	3.4
167.07047	7.0
171.04462	18.6
171.08060	3.5
173.02371	5.2
173.05881	3.4
173.09612	9.5
175.03934	19.5
175.07590	3.3
175.11121	3.4
177.05437	15.9
177.12805	12.0
181.04980	5.1
183.04323	3.3
185.05995	9.4
187.03944	19.7
187.07573	4.0
189.03920	5.9
189.05508	18.3
189.08983	3.5
191.03416	9.6
191.10703	5.7
193.04929	13.6
193.12186	3.9
195.13786	10.9
199.03842	14.2
201.05518	11.2
203.03416	18.3
205.04979	49.1
207.06480	4.7
208.05240	3.5
209.04434	24.4
211.03888	4.3
213.05530	12.5
215.03433	25.7
217.04980	40.8
217.08536	3.9
219.02940	8.1
219.13733	4.9
221.04478	65.6
223.06125	19.8
225.05440	5.3
227.03508	7.0
227.07033	3.9
229.04938	19.8
231.06622	18.6
232.17015	13.7
233.04468	100.0
235.06015	74.0
235.08376	3.7
237.15033	4.3
240.04381	3.4
241.04980	17.4
243.06503	5.2
243.13905	6.3
244.17021	5.6
245.04504	30.2
247.05975	15.5
249.07640	5.8
250.18105	18.4
251.05548	78.5
253.04881	5.0
253.07156	6.4
255.06636	5.7
257.04480	9.6
259.06024	32.6
261.03973	7.0
261.14816	7.3
262.18085	4.1
263.05484	31.3
269.04553	6.1
269.08435	3.2
271.06088	14.4
273.07623	7.6
275.05524	60.2
277.07053	32.5
279.05130	4.1
281.06741	28.4
283.06039	13.3
287.05527	56.2
289.07153	22.0
290.91217	3.5
299.05493	40.2
301.07114	30.2
305.06635	44.0
311.05524	8.2
315.08533	4.9
317.06561	60.3
319.08145	13.6
323.10742	3.1
329.06564	28.2
330.10883	5.3
331.11987	3.1
335.07675	23.0
347.07611	17.4
347.14871	3.8
350.33310	3.1
353.08755	7.3
365.08682	10.2
379.39301	3.9
383.09299	3.6
383.14185	6.0
401.18127	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05079	2.6
55.01871	6.8
57.03429	5.4
57.23664	2.2
58.06601	3.2
59.93226	2.8
61.62587	2.9
64.02622	3.1
67.01894	2.9
70.06595	10.8
70.87763	2.8
71.01380	3.2
71.15450	3.8
84.08126	7.6
85.02913	14.0
88.36232	2.5
93.03403	7.3
95.70240	2.5
97.02882	4.2
105.03402	6.8
109.02900	5.9
115.05486	5.5
119.04941	5.1
121.02875	11.7
123.04446	5.5
129.07007	5.8
129.39261	2.8
131.04936	7.8
133.02966	3.6
133.06529	4.4
135.04454	10.0
139.03851	2.6
143.04930	3.9
145.02751	2.7
145.06500	5.0
146.99635	2.6
147.04407	14.1
151.03908	8.3
157.06482	6.1
159.04422	11.7
161.06013	9.2
163.03963	14.4
167.03398	3.0
171.04448	18.1
173.02373	3.4
173.06020	4.5
175.03940	22.2
177.05463	13.3
185.05997	13.2
187.03981	25.1
189.05499	21.4
191.03342	8.5
193.05011	9.4
197.05922	6.2
199.03944	12.7
201.01810	2.9
201.05547	5.9
203.03444	18.0
203.07056	6.6
205.04987	52.0
205.06740	5.4
207.06563	6.6
209.04411	21.3
211.03859	3.4
213.05496	12.1
215.03406	30.3
217.04990	38.0
219.02866	7.8
219.06535	5.6
221.04471	65.8
223.06044	17.1
225.05508	3.1
227.03423	7.7
227.60294	4.6
229.05011	16.6
231.06544	24.6
233.02124	5.7
233.04474	100.0
235.06046	69.0
237.03253	3.3
239.05518	2.9
241.05043	18.2
243.06535	2.9
245.04475	30.7
245.08156	4.6
247.06100	17.9
249.07594	7.8
251.05554	75.2
253.04919	7.6
253.07196	8.6
255.06544	8.0
257.04523	8.4
259.06021	39.3
261.03809	6.0
263.05551	32.4
265.04785	3.5
269.04523	9.1
271.06155	17.8
273.07565	8.9
275.05505	56.3
277.07135	36.0
281.06732	23.6
283.05981	7.6
287.05527	56.3
289.07083	19.8
299.05521	36.0
301.07159	29.5
305.06567	46.0
311.05536	6.5
317.06607	53.2
319.08130	9.0
329.06497	35.3
335.07605	26.3
337.09305	4.6
347.07596	20.1
353.08612	6.7
365.08856	13.5
383.09933	7.4
401.10605	3.1
401.17682	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	401.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
57.03421	0.8
58.06607	100.0
61.02914	1.0
69.03430	1.3
70.06583	2.4
71.51853	1.0
72.08147	1.7
79.05476	1.4
81.03407	1.4
82.04916	0.6
82.70043	0.6
84.08125	0.6
85.02927	4.6
86.09709	2.8
90.95436	0.6
91.05482	1.8
93.03412	2.1
93.07046	0.8
95.04983	0.9
97.02885	3.2
103.03939	0.8
103.05453	0.9
105.03398	1.5
105.07021	1.6
107.04977	1.2
109.02879	2.9
111.04433	0.9
115.05460	2.5
116.07139	0.6
117.05770	1.3
117.07056	1.1
119.04953	2.3
121.02856	3.3
123.04417	1.1
127.03917	0.8
128.06189	0.7
129.07053	1.1
130.06512	1.1
131.04953	2.7
131.08522	0.8
132.08067	2.3
133.02879	1.2
133.06464	1.8
135.04433	2.0
136.07567	0.6
137.06004	2.7
139.03941	1.0
141.06990	1.0
145.06520	1.6
146.06032	0.7
147.04427	4.9
151.03931	0.7
151.07533	0.8
153.05482	0.9
156.72754	0.6
157.06522	1.2
158.06018	1.3
159.04396	3.8
160.07593	22.3
161.02403	1.1
161.05980	2.9
163.03883	4.2
163.08820	0.6
165.05446	0.9
165.21260	0.6
167.07112	0.9
171.04399	5.5
172.07553	1.0
173.02324	0.8
173.05984	1.4
175.03947	6.7
177.05511	3.9
179.06992	1.4
181.04933	1.8
181.06442	0.7
184.07542	1.3
185.05946	3.0
187.03946	6.6
189.05486	7.3
191.03418	2.3
192.51172	0.6
192.95377	0.7
193.04994	3.1
197.06003	1.0
199.03888	2.5
201.05453	2.4
203.03401	4.8
203.07036	1.6
205.04985	14.0
207.02908	0.7
207.06506	2.0
209.02750	1.1
209.04427	6.7
209.06026	0.9
211.03865	0.9
213.05496	3.1
214.08789	0.7
215.03413	6.1
217.04997	11.1
219.02901	2.0
219.06508	1.6
221.04456	17.1
223.06065	5.6
225.05400	1.4
227.03397	2.0
227.06978	1.2
229.04947	3.5
231.06595	4.0
233.02112	1.5
233.04466	27.9
235.06030	16.9
237.05531	0.7
241.04950	5.3
243.06555	1.8
245.04501	7.9
245.08197	0.9
247.06082	4.6
249.07649	1.8
251.05537	23.0
253.04860	1.6
253.07129	2.6
255.06555	1.8
257.04456	1.8
259.06015	10.4
261.03967	2.6
263.05533	7.4
268.08014	0.7
269.04401	2.1
271.05975	3.4
273.07489	2.2
275.05530	17.1
277.07117	9.7
281.06848	6.6
283.05951	3.1
287.05551	12.7
289.07037	4.4
299.05536	10.3
301.07074	8.1
305.06613	11.1
308.12619	0.9
311.05475	3.0
317.06604	13.8
319.08157	2.7
320.12457	0.9
329.06567	7.1
334.51709	0.6
335.07596	6.1
338.13843	2.8
347.07669	4.9
353.08701	1.3
356.14963	10.2
365.08658	2.7
375.87625	0.8
383.09641	0.9
383.14856	0.9
383.19647	1.3
401.12180	1.2
401.20813	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	400.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.8
53.04184	1.6
53.14082	1.6
55.05515	21.1
65.03939	1.8
67.05509	16.5
69.06735	2.8
69.07078	36.9
70.06585	5.9
70.77023	3.6
72.08161	68.2
77.89758	2.0
79.05077	3.1
79.05500	35.4
81.07066	42.2
83.08624	7.2
88.35975	1.7
90.09193	6.2
91.05488	21.7
93.07056	31.9
95.04951	2.2
95.08612	24.7
97.10169	1.6
98.06052	7.1
100.35506	1.5
105.07046	26.0
107.08602	23.7
109.10152	12.2
115.05509	1.8
116.07093	3.5
117.07015	7.6
119.08592	13.2
121.10155	29.6
123.11690	3.3
126.09156	11.2
129.06966	5.0
130.07698	1.8
131.08583	16.6
133.10146	14.0
135.11690	7.2
143.08560	7.4
145.10117	16.8
147.11716	10.4
149.13255	5.6
157.10126	10.2
159.11714	15.0
161.13263	11.4
163.14861	3.1
169.10036	2.2
171.11691	6.9
173.13298	15.8
175.11111	3.0
175.14827	6.1
182.22754	1.9
185.13261	11.4
187.11235	1.9
187.14801	5.7
189.12738	3.8
192.13838	2.0
195.11752	2.2
199.14839	5.6
201.16388	9.0
203.17970	1.8
213.16451	8.3
215.17989	7.9
227.17970	7.4
229.19476	3.3
232.16969	3.5
241.19656	2.4
242.29802	1.8
243.17456	2.0
252.56276	1.5
255.17427	1.7
260.20236	9.8
262.21594	5.2
274.21683	2.5
280.22635	1.8
280.80695	1.7
283.24200	24.7
285.25955	2.3
286.21613	2.0
288.23148	1.9
290.59869	2.1
293.22662	3.8
300.23300	3.2
311.23700	10.2
314.24811	6.0
326.24844	6.6
341.51215	1.8
354.27966	15.7
382.31076	100.0
383.31317	3.8
400.32037	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	401.0096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96305	0.4
56.96575	6.9
69.89325	0.7
69.89722	0.6
71.95272	1.8
98.21010	1.0
98.97595	100.0
99.97916	0.9
100.97217	0.9
100.98018	0.5
116.98635	50.5
117.98958	0.7
118.98258	0.4
118.99059	0.6
134.99672	14.4
140.00220	1.4
153.00745	1.0
172.94395	1.2
173.91519	0.4
174.97722	0.5
189.00386	0.5
190.95419	1.5
207.01271	0.4
214.95485	1.2
216.98828	1.1
219.02013	0.6
232.96529	2.2
234.96500	0.4
234.99857	1.1
240.98656	4.8
246.54520	0.3
250.97597	1.1
256.96500	4.8
257.96829	0.5
258.99799	57.7
260.00015	1.5
260.99731	1.2
261.03067	1.2
262.03250	0.4
263.02902	0.7
274.97540	31.4
275.97879	3.0
276.97693	4.3
277.00833	58.3
278.01025	1.1
279.00928	0.6
282.01324	2.0
283.00024	2.2
284.99805	0.4
292.98608	13.3
293.01926	0.8
293.98914	1.2
294.98709	1.8
297.99188	1.0
298.97604	0.6
300.02383	1.9
300.97842	0.6
301.01007	2.4
303.00998	0.4
316.98953	0.8
358.99774	0.5
360.16812	0.4
376.98526	0.5
378.17603	0.7
382.99945	7.2
401.01096	21.1
402.01251	1.4
418.98096	1.8
419.02133	2.4
424.02515	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	400.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
53.35568	1.3
55.01866	2.3
55.05516	3.5
55.15272	1.4
57.03193	1.9
57.03442	22.0
59.04992	5.3
60.04534	2.0
61.02925	3.8
62.06088	2.0
63.90166	1.5
67.05515	2.1
69.03437	71.4
70.06596	10.6
71.51774	1.9
72.08144	8.2
73.02907	4.7
81.03416	6.2
81.07035	4.1
84.08141	6.8
85.02914	95.5
86.09753	2.6
87.04477	46.2
91.03996	2.7
91.05502	2.9
93.07038	2.3
95.08606	2.2
97.02906	64.1
98.97589	2.7
99.04459	4.6
100.11254	3.0
109.02885	6.4
111.04426	3.9
115.03942	85.4
116.07076	5.1
127.03928	18.3
133.04982	100.0
145.04977	43.0
150.07632	9.5
163.06017	20.5
169.04996	2.3
182.15395	3.1
183.15729	4.4
186.23636	1.6
208.28157	1.8
210.14894	2.7
211.15251	5.0
223.06137	2.0
241.07057	3.2
251.14970	5.3
259.08081	4.7
277.09198	4.9
295.10397	2.3
338.21472	2.3
355.24078	2.8
383.23721	1.7
400.16943	2.5
400.22836	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	400.2485
Annotation	Aspochalasin F
Peak:m/z	Relative Intensity
51.25299	0.3
51.43377	0.4
51.76022	0.3
55.05506	0.5
56.05033	0.6
56.90023	0.3
56.96555	0.4
58.06602	0.4
64.10331	0.3
67.05483	0.9
68.05035	1.7
69.07056	1.1
70.03010	1.2
70.03379	0.6
70.06596	6.8
71.08626	0.3
72.08108	0.3
79.05488	2.0
80.04996	0.8
81.07062	2.5
82.06586	0.8
85.06524	0.5
91.05476	1.3
93.07056	0.6
94.06552	0.8
95.08598	1.4
103.05459	0.4
105.07055	0.6
106.06570	4.3
107.04951	0.8
107.07351	2.0
108.08121	0.6
109.10171	0.4
114.05523	2.5
115.05438	3.5
116.06286	0.5
116.07082	0.7
117.07028	5.4
119.08627	0.4
121.06502	3.0
127.81150	0.3
128.06212	0.3
129.06972	1.0
131.04941	0.4
131.08530	0.7
133.06516	1.1
138.64720	0.3
141.06926	0.8
143.04929	1.3
144.05711	1.5
145.06493	18.3
147.08070	1.0
152.07094	1.1
153.05469	1.1
155.06123	0.4
156.08075	0.4
157.06493	1.7
158.09647	0.6
159.08073	1.4
161.05984	0.7
164.07246	0.4
167.07022	1.0
167.08449	0.5
168.08115	0.4
169.06572	0.8
171.08044	1.1
172.07545	0.5
175.07513	0.6
183.08109	0.5
184.11206	1.2
185.09633	1.0
186.09166	1.4
186.12939	0.4
203.07080	1.0
208.05177	0.3
212.10670	3.3
213.11458	0.5
214.12274	4.9
229.66669	0.3
230.11746	1.8
243.08856	0.4
258.11270	32.2
259.12036	2.3
270.11148	0.4
323.87708	0.4
329.88736	0.3
330.10849	0.4
343.87421	0.4
367.38824	0.4
370.13174	0.4
382.23721	0.6
383.15268	0.3
400.24838	100.0
401.25140	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
53.35568	1.3
55.01866	2.3
55.05516	3.5
55.15272	1.4
57.03193	1.9
57.03442	22.0
59.04992	5.3
60.04534	2.0
61.02925	3.8
62.06088	2.0
63.90166	1.5
67.05515	2.1
69.03437	71.4
70.06596	10.6
71.51774	1.9
72.08144	8.2
73.02907	4.7
81.03416	6.2
81.07035	4.1
84.08141	6.8
85.02914	95.5
86.09753	2.6
87.04477	46.2
91.03996	2.7
91.05502	2.9
93.07038	2.3
95.08606	2.2
97.02906	64.1
98.97589	2.7
99.04459	4.6
100.11254	3.0
109.02885	6.4
111.04426	3.9
115.03942	85.4
116.07076	5.1
127.03928	18.3
133.04982	100.0
145.04977	43.0
150.07632	9.5
163.06017	20.5
169.04996	2.3
182.15395	3.1
183.15729	4.4
186.23636	1.6
208.28157	1.8
210.14894	2.7
211.15251	5.0
223.06137	2.0
241.07057	3.2
251.14970	5.3
259.08081	4.7
277.09198	4.9
295.10397	2.3
338.21472	2.3
355.24078	2.8
383.23721	1.7
400.16943	2.5
400.22836	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	400.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.1
57.03439	6.0
57.93104	2.1
58.06559	2.6
59.04980	3.6
61.02918	7.0
62.42200	2.0
69.03439	15.2
70.06604	19.5
71.04989	2.2
71.51724	3.3
72.08195	11.4
73.02942	3.7
73.06567	2.2
74.06091	5.4
79.05482	3.5
79.28584	2.5
81.03429	6.3
84.04492	2.2
84.08139	9.5
85.02915	55.5
86.09734	4.8
87.04475	3.1
91.03960	3.8
91.05482	3.6
95.06118	2.9
97.02899	18.9
98.97606	5.3
98.98475	2.3
99.04500	3.2
103.05486	4.8
105.07035	4.8
107.04943	2.4
109.02888	7.4
110.07195	4.4
115.05425	2.9
116.14426	2.2
117.07048	24.1
120.08121	31.7
121.06496	4.4
124.03980	3.9
127.03932	13.7
129.06996	4.0
129.10204	2.4
131.04927	5.0
131.08597	2.9
132.05276	2.8
145.04980	14.9
145.06496	95.6
147.04422	2.7
159.08000	4.0
163.03903	10.9
163.06136	4.0
163.07603	7.1
166.08621	2.9
174.12793	43.4
175.07558	2.2
185.09624	8.1
187.07599	10.3
192.13855	32.5
203.10626	5.2
220.13289	12.9
237.02893	3.1
238.10753	4.5
238.14406	100.0
271.09714	8.1
289.10681	4.8
300.74445	2.5
307.11591	2.5
325.12790	2.3
340.07721	3.1
358.08856	2.5
365.16000	4.5
398.97684	2.7
400.15540	2.9
400.23709	5.0
401.10657	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.6
63.87211	0.3
69.03445	1.3
70.06614	0.4
70.82577	0.8
70.82920	0.5
72.08154	0.7
79.05504	1.7
81.03442	1.1
81.07055	0.6
85.02901	2.5
87.00848	0.7
91.05495	3.3
95.04953	0.4
95.08595	0.4
96.18551	0.3
97.02911	0.9
99.04478	0.5
105.01913	0.6
106.06566	4.4
107.04961	0.8
109.02901	1.0
109.06510	0.6
114.73602	0.4
116.04990	4.5
127.03925	1.2
130.16380	0.4
134.06030	100.0
135.06345	0.7
146.06044	0.5
148.07576	0.6
152.07080	72.4
153.07542	0.3
159.02898	0.4
179.10719	0.4
198.09056	0.4
382.18344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01874	1.4
56.68352	0.6
57.03439	1.0
57.49955	0.5
58.06599	1.4
61.02921	1.8
68.05051	3.0
69.03432	5.7
70.06602	4.0
71.05004	0.7
71.52024	0.6
71.52404	0.7
73.02904	0.6
74.02454	4.4
79.05499	0.7
81.03416	3.3
84.08142	1.1
85.02446	0.9
85.02914	10.4
87.04461	0.8
91.05450	0.7
93.03415	2.0
97.02908	5.8
97.23683	0.6
98.97591	1.0
99.04455	0.9
100.07592	0.9
106.02903	0.7
109.02885	2.3
110.06033	2.4
110.07178	0.9
114.05538	10.0
116.79461	0.5
119.08611	0.9
121.02894	6.1
121.06491	1.2
124.03986	1.4
125.05944	0.7
127.03941	2.5
129.07050	0.9
131.94229	0.5
135.04390	1.2
137.05986	12.6
140.14429	0.5
145.02890	0.8
145.04924	1.2
147.08076	4.0
149.05978	4.2
149.09627	0.9
151.03926	0.8
151.07549	2.6
151.77496	0.7
153.05495	2.6
159.08092	1.6
160.09718	0.7
161.04797	1.0
161.06006	9.9
163.03908	5.8
165.09138	2.6
175.07574	14.1
177.05472	0.8
177.09148	2.4
178.08588	0.6
185.05902	0.7
189.05519	0.7
192.10216	17.0
203.07045	6.8
205.05121	0.6
215.03412	1.1
220.09660	2.0
221.04518	1.0
221.08116	4.3
233.04466	1.0
235.06038	1.2
238.10756	100.0
239.11003	0.9
251.05533	1.1
265.10422	0.6
275.05429	0.8
287.05573	0.9
299.05524	0.8
305.06595	0.9
348.94748	0.7
382.15204	0.8
400.04001	0.6
400.16046	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	399.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.0
54.05620	3.6
55.01883	8.8
55.05519	19.2
55.83421	3.6
57.03441	9.6
57.07084	7.8
58.06607	5.5
59.05004	3.9
60.07886	3.5
61.02923	10.7
61.87603	3.3
67.05508	26.9
68.99801	5.0
69.03082	5.1
69.03435	53.0
69.07079	30.6
69.69106	19.0
70.06593	6.6
71.01342	3.5
71.04998	32.6
79.05501	27.5
81.03429	43.5
81.07059	92.1
83.04986	14.5
83.08654	7.2
84.08163	6.2
85.02913	65.7
85.06559	10.1
87.00858	5.4
87.04453	3.4
91.05473	28.5
93.07047	48.5
95.04997	19.5
95.08627	43.0
97.02895	38.1
97.06546	9.1
97.10172	3.6
98.21499	4.3
99.04483	17.1
99.08111	6.3
103.03931	5.2
105.07041	87.7
107.04991	7.8
107.08606	51.0
109.02899	39.7
109.06516	12.5
109.10161	65.9
111.04460	6.0
111.08079	7.1
111.48543	3.2
117.07033	8.5
119.04965	5.4
119.08594	51.6
120.08136	5.1
121.06541	5.1
121.10162	36.1
123.04474	3.9
123.08060	5.5
123.11732	46.1
124.19930	3.7
125.09638	31.1
127.03925	45.9
127.07569	8.0
127.11229	13.0
128.06238	4.3
129.07013	4.4
131.04953	7.8
131.08618	17.7
133.06638	4.1
133.10136	100.0
135.08046	7.2
135.11705	17.4
137.05963	7.3
137.09648	14.9
139.11191	5.1
142.07835	5.4
143.08630	6.8
143.10719	26.0
145.04970	11.8
145.10136	36.4
147.04575	4.0
147.08073	9.1
147.11714	65.5
147.26711	4.0
149.09622	8.0
149.13278	6.3
151.03946	5.5
151.07549	6.0
151.11203	29.0
153.12801	7.4
155.08405	5.3
157.10141	9.4
159.11716	24.1
161.09618	5.9
161.13297	13.5
163.07555	5.1
163.11163	7.1
167.10637	8.0
169.10147	4.3
169.12315	16.4
171.11638	7.9
173.04489	14.7
173.09668	10.5
173.13286	6.7
175.03969	4.7
175.11267	5.7
175.14871	7.4
177.12782	5.6
191.05496	4.3
191.17955	7.7
193.15948	4.1
199.11215	4.2
201.16377	23.7
203.10576	4.4
203.17993	5.7
207.06525	7.1
213.03983	5.4
219.13826	13.4
219.17404	40.9
221.11694	4.5
237.14806	20.5
237.18416	17.7
399.20001	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	399.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67009	0.8
55.05504	1.0
62.56656	1.0
67.36202	0.8
69.53204	1.1
69.53604	4.5
75.04496	1.2
77.64679	0.8
80.06279	1.0
91.05473	4.5
105.07040	1.7
107.04957	4.2
108.05743	2.9
121.06512	1.5
122.58762	0.8
128.06148	1.1
129.07010	1.0
135.04390	2.4
136.05208	10.9
137.06001	3.3
139.07533	1.7
142.07857	0.9
143.08525	1.2
144.05751	1.2
145.06496	3.5
148.05217	2.0
151.07558	69.7
157.06549	2.4
158.07288	2.1
159.08084	8.2
160.05177	1.2
163.07692	1.1
165.05495	2.7
165.09100	2.4
166.06277	14.0
167.07028	1.2
170.07173	0.9
172.08827	1.6
173.05968	3.2
173.09634	1.6
174.06816	2.6
175.07559	3.6
177.09125	1.3
179.07059	3.3
181.08618	27.1
185.06000	1.0
187.07579	11.9
188.08350	7.6
189.09125	6.8
191.07034	4.4
193.08638	1.0
195.10193	1.1
198.06773	3.9
199.07625	1.2
200.08389	1.0
201.05484	4.7
201.09111	8.5
202.09912	23.6
203.07033	6.3
203.10715	5.4
204.07867	2.7
205.08641	2.3
207.10211	1.0
209.08127	2.4
210.06718	1.2
211.07616	5.1
214.09979	1.2
215.07025	1.9
216.07790	2.0
217.08649	3.0
218.09416	5.9
219.08147	2.2
219.10201	7.1
221.08031	2.0
224.08321	2.7
225.09187	4.0
226.09785	1.6
227.07024	3.7
230.09392	2.1
231.06549	1.6
231.08292	1.3
231.10178	36.3
232.08820	1.8
233.09720	1.7
233.11775	5.0
236.08307	1.1
239.07040	5.7
239.10641	1.5
240.07831	2.7
241.08539	6.6
242.09378	4.0
245.09613	1.8
247.07571	2.1
248.08360	3.9
249.09201	4.5
250.09779	1.2
252.11484	1.0
253.08578	3.4
254.09409	29.6
255.06612	7.1
255.10170	4.8
259.07550	1.2
260.08502	1.1
261.09039	3.1
261.11328	25.1
262.09875	2.7
263.07089	1.1
263.10696	4.1
264.07886	1.7
264.11374	1.7
265.08578	2.8
267.06558	1.5
267.10266	1.7
268.07394	1.0
269.08118	3.8
270.08878	23.0
271.09323	1.1
273.09122	1.9
275.07825	0.8
275.10599	5.4
276.07999	1.4
276.11499	5.1
277.08569	7.4
278.09393	1.9
279.10153	3.9
280.10919	3.9
281.08087	1.1
282.08899	4.0
283.09689	8.0
284.10352	6.6
285.11261	26.4
288.11426	1.8
289.08719	1.9
289.12021	1.0
291.10190	10.4
292.10904	7.6
293.08115	3.7
293.11615	1.9
294.12714	0.9
295.09637	2.4
295.13257	2.3
296.10464	2.6
297.11307	4.6
298.08398	3.6
298.12015	11.5
299.09207	3.6
303.10196	3.1
304.10950	2.4
305.08212	2.3
305.11713	3.7
306.09299	1.0
306.12521	4.8
306.15521	0.9
307.09628	5.1
307.13303	8.5
308.10547	5.4
309.11176	2.0
311.09143	5.1
311.12793	2.8
312.13953	1.0
313.10721	42.8
314.11310	2.9
318.12537	2.9
319.09720	2.7
319.13306	10.6
320.10422	3.6
321.07828	1.8
321.11295	4.3
322.11954	1.9
323.12811	9.1
324.13882	1.0
325.10703	1.5
326.11588	2.0
328.13074	100.0
329.13821	11.5
333.11288	1.3
334.12067	2.1
335.12793	22.1
336.09860	2.0
337.14401	3.9
338.15201	11.4
339.12363	7.5
339.15857	1.2
341.13858	14.2
349.14316	7.1
350.15146	34.7
351.12268	9.1
351.15970	1.6
354.14658	21.9
355.15457	1.3
366.14627	8.4
368.16119	1.8
369.17026	15.6
371.18567	2.5
381.17017	49.8
399.18106	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22429	0.6
53.03941	1.6
53.97399	0.6
55.01872	0.8
57.03439	7.2
61.02935	3.1
69.03435	7.6
69.61940	3.2
70.06593	2.0
71.01356	0.6
71.04994	1.4
73.02924	1.4
75.04476	1.3
81.03426	5.5
84.08195	0.6
85.02913	26.3
86.09689	0.7
87.04465	1.2
91.03939	1.1
91.05494	0.7
95.04963	0.8
97.02905	9.4
97.27961	0.5
99.04470	3.3
102.04708	0.8
103.03965	2.4
103.05476	44.9
104.05835	0.8
105.01920	0.6
105.07021	0.7
109.02873	3.7
110.03207	0.5
115.03960	0.5
115.05415	0.6
116.07063	0.6
117.05518	2.0
127.03930	8.3
130.04185	0.7
131.04939	100.0
132.04454	3.9
132.05289	0.9
133.04852	2.6
133.06503	1.2
145.04962	4.0
148.05200	11.5
160.05194	0.8
161.05971	3.9
163.07555	55.9
175.07596	1.3
189.09163	0.7
201.07477	0.8
201.09193	1.8
205.08601	1.2
219.10286	1.4
237.11246	3.8
288.31104	0.5
304.43643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	1.6
56.96568	8.8
57.87506	0.8
61.01152	0.9
69.03432	4.0
70.06599	3.2
71.08609	1.1
71.51580	1.2
79.42575	0.8
81.03413	1.0
84.08153	3.5
84.96043	2.5
85.02920	3.3
88.26618	0.9
93.07096	1.0
97.02914	9.4
97.06464	0.8
98.97586	12.4
102.05563	2.6
110.97584	4.3
116.07090	2.8
116.98638	6.1
120.08128	1.3
127.03974	1.1
128.98647	3.3
129.05493	1.4
130.08669	1.5
131.04997	0.9
134.51863	0.9
134.99638	1.2
135.04430	1.8
136.06206	11.0
143.00172	1.7
145.04942	0.9
146.99641	1.4
151.03967	1.3
158.99704	1.8
161.01254	2.5
163.03908	6.3
166.95181	0.8
169.01785	1.0
177.00757	1.5
187.02872	1.0
194.99681	2.1
197.01251	1.0
201.00853	1.4
211.99747	0.9
213.00743	4.1
219.01807	6.7
228.05745	1.1
237.00754	1.7
237.02817	7.8
250.09407	8.7
251.09581	2.3
269.10742	3.4
277.07550	1.9
293.10641	1.0
295.08661	3.3
298.09711	1.3
313.09958	1.7
339.03995	4.8
339.07611	3.9
357.05133	2.5
371.13907	1.1
391.49295	0.9
399.12738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.07074	0.8
67.05531	0.3
69.03445	0.4
72.73771	0.4
79.05488	1.1
81.07049	1.1
81.10925	0.4
87.04478	5.1
87.75012	0.4
88.04816	0.6
91.05478	1.3
107.04922	0.5
108.05710	0.5
109.06533	0.8
115.05420	0.4
121.06499	0.8
129.06976	0.4
133.10146	0.5
135.04469	0.6
136.05202	1.0
137.05960	0.6
145.06471	0.5
146.07268	0.5
147.04420	0.8
151.03928	1.7
151.07564	4.8
152.06255	0.4
153.07024	0.6
157.06575	0.5
158.07108	0.4
165.01814	1.4
165.05502	21.0
165.06935	2.0
165.09138	0.8
166.07866	0.5
167.81389	0.4
169.06516	0.9
177.09216	1.1
179.03406	6.5
179.07030	3.4
181.06509	2.4
182.07358	1.4
183.08038	0.7
186.06703	0.8
189.05533	0.5
189.09119	1.6
191.07025	0.5
193.06514	0.6
194.07343	0.8
194.98438	0.4
195.08087	3.5
196.08864	4.5
197.06012	1.8
197.09686	0.5
198.06764	0.5
199.07579	0.4
201.05476	1.1
201.09222	0.5
203.06998	0.5
208.08754	0.4
210.06815	1.1
211.07529	4.1
212.08330	4.7
213.05458	0.9
213.09163	2.4
222.06779	0.9
223.07701	0.4
224.08330	4.0
225.05470	1.7
225.09134	3.1
226.06261	1.0
227.07059	0.6
227.10675	7.4
231.06369	0.4
237.09158	0.6
238.06310	1.5
239.07001	3.4
240.07819	4.4
241.08551	1.2
249.05528	0.6
250.06256	0.6
251.06998	0.6
252.07791	0.8
253.05006	1.1
253.08629	1.3
255.06575	1.8
255.10178	12.8
265.05200	0.5
266.05621	0.7
267.06564	4.5
267.09332	0.6
268.07339	2.1
269.08035	0.5
270.14041	0.4
280.07397	3.3
281.04965	0.6
281.08087	3.1
282.08896	1.7
283.06198	1.3
283.09637	9.2
284.06705	0.8
289.08734	0.5
293.08084	0.7
295.06018	0.8
296.06821	5.8
297.07370	0.8
298.08365	4.5
299.09164	5.8
305.07904	0.5
311.09155	100.0
312.09683	2.1
313.10690	6.8
319.09625	0.5
320.10330	0.5
321.11261	0.7
328.09433	3.1
328.12704	0.5
330.57367	0.4
337.10782	0.5
350.11157	0.5
351.12424	1.3
353.13849	0.7
363.12344	2.0
378.06000	0.5
381.13284	3.5
398.43988	0.8
399.14417	13.9
399.30945	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	399.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	1.5
56.96571	41.5
58.23720	0.8
61.02907	1.2
69.03425	4.8
70.06586	3.9
71.04994	0.8
71.51725	1.0
71.95258	1.4
73.02904	1.4
74.97601	1.0
75.90798	0.9
81.03413	1.4
84.04462	1.0
84.08125	2.3
84.96041	15.0
85.02926	6.2
89.03944	1.0
91.05464	1.1
97.02909	10.3
98.97593	100.0
102.05549	3.1
102.97062	1.4
105.16381	0.9
106.76499	0.9
110.07221	1.0
110.97578	22.4
112.99150	5.2
116.98632	41.2
119.01897	2.0
124.99107	3.4
126.97038	1.5
128.97699	1.2
128.98619	20.9
130.08601	1.4
131.00183	5.9
131.01854	1.0
134.99663	10.3
135.04436	1.6
136.06197	7.2
137.05936	0.8
137.71315	0.8
140.00142	0.9
140.98601	4.7
143.00185	15.8
144.98056	3.8
146.99670	9.6
147.04335	1.1
149.01207	2.1
151.00575	1.3
152.98624	2.0
155.00191	0.9
156.03503	1.2
158.99683	10.0
160.99974	1.6
161.01241	23.3
161.02681	1.2
162.99168	2.1
163.03902	8.7
165.20653	0.8
169.01730	1.9
170.99635	6.8
173.01227	2.0
176.98682	2.9
177.00732	11.5
179.02298	4.5
182.99661	3.3
187.02734	1.5
189.00679	5.1
193.01755	1.2
194.99680	14.4
195.01532	1.4
197.01318	1.2
197.03035	1.2
199.04546	1.3
201.00676	8.8
201.19926	0.8
202.99771	0.7
207.01802	1.5
211.02719	1.7
211.04521	1.0
213.00728	58.4
213.02455	2.6
219.00177	1.9
219.01773	48.8
224.20181	1.0
225.02820	1.0
228.05655	2.7
230.99429	1.3
231.01772	24.8
231.03934	1.8
237.00809	2.7
237.02808	53.6
242.03162	1.2
249.02629	2.0
250.09355	6.3
251.09554	1.6
255.01352	5.7
255.03728	3.9
261.02728	2.7
267.01474	1.4
269.10626	3.2
273.00439	1.3
273.02798	2.7
277.07449	2.4
279.01559	1.7
279.07739	1.3
281.03275	2.7
283.06729	1.2
285.02527	1.3
288.06531	1.1
291.01639	5.8
293.10757	1.5
295.08554	2.8
297.02649	1.9
298.09592	1.9
299.04321	1.2
309.02887	2.1
313.09637	2.0
321.02802	3.9
339.03650	24.2
339.07358	5.0
353.12723	0.9
357.04773	26.6
371.13904	1.5
375.05893	5.4
380.07034	1.2
393.08972	1.2
399.05948	58.2
399.12201	5.6
417.07187	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	398.9765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98640	0.5
56.96571	5.9
59.24706	0.3
59.70312	0.3
66.25032	0.2
69.45875	1.7
71.95282	1.7
75.39925	0.2
97.02881	0.9
98.97590	82.7
116.98629	35.0
120.21849	0.3
130.93274	0.7
134.99666	7.9
140.00191	1.1
146.11723	0.5
153.00694	0.7
154.93320	0.3
158.01251	0.4
172.94366	4.7
190.95370	2.6
197.95181	0.5
208.96402	0.5
214.95415	4.1
219.02130	0.3
223.85483	0.3
224.17967	0.3
232.96489	6.4
250.97559	2.0
256.96454	17.3
258.99796	3.3
261.03156	1.1
274.97522	100.0
275.97873	1.0
277.00781	2.3
283.00076	1.0
284.99866	0.5
286.99664	0.3
292.98581	44.6
293.99039	0.4
297.99133	2.7
298.97778	0.9
301.01013	0.7
303.00900	0.7
316.00171	1.0
316.98727	0.8
332.96524	0.4
357.03934	0.5
364.99185	0.3
371.13617	0.4
375.97943	0.3
398.97745	2.9
399.02521	0.4
416.98788	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	398.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07748	0.7
55.05503	2.5
57.07073	1.0
67.05490	3.2
68.05025	3.4
69.07059	2.7
70.06596	15.7
70.56638	2.1
79.05502	4.1
80.05040	0.7
81.07057	5.0
82.06509	0.9
83.08624	1.4
83.81892	0.7
84.08120	1.0
91.05487	6.0
93.07049	7.9
94.06573	1.4
95.04977	1.8
95.08599	4.6
96.08129	3.2
98.05978	0.8
100.07623	5.1
105.07044	9.2
107.08611	6.7
108.08142	1.5
109.10162	1.7
114.05527	4.9
116.07118	6.0
117.07034	3.7
119.07813	1.1
119.08601	12.6
120.08134	4.2
120.08868	0.9
121.10175	3.8
122.09673	2.1
123.11605	0.8
124.55154	0.7
128.06276	1.0
128.07091	5.9
129.07034	2.0
131.08588	9.5
132.08025	0.8
133.08871	0.9
133.10144	7.0
134.09648	2.2
135.08060	2.0
135.11722	1.5
136.11232	1.6
142.07767	1.6
143.08562	5.1
145.10133	9.4
146.09647	0.8
147.11690	2.4
148.11223	7.2
150.12791	1.2
151.06343	1.0
154.08669	1.2
155.08577	2.0
157.10164	5.0
159.11703	3.9
160.11269	1.2
161.13354	0.9
164.07129	1.0
166.08762	1.4
167.08571	0.9
168.10242	20.1
169.10170	2.4
171.11737	2.4
173.13266	3.9
174.12747	1.0
175.14819	2.1
178.08594	4.7
181.10112	1.6
183.11765	3.4
185.13266	1.6
187.14804	1.4
192.10219	3.1
194.11848	11.4
195.11780	1.6
196.12376	1.0
197.13237	2.1
199.14729	1.6
206.11690	0.9
208.13359	0.8
209.13228	2.9
211.65311	0.8
218.15448	0.7
223.14795	1.4
225.16222	0.9
232.13383	1.0
234.14845	0.9
239.17993	1.0
244.13220	1.0
246.11331	1.6
257.18851	1.0
260.16425	1.0
265.19525	0.9
306.20810	3.4
316.14169	0.8
380.25998	3.6
398.26935	100.0
399.10852	4.0
399.27353	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	398.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.6
53.03945	0.7
55.05510	1.5
57.07066	1.7
57.93327	0.5
67.05505	2.7
68.05039	3.0
69.07063	2.2
69.33686	0.4
70.06600	11.7
70.77686	1.2
72.27358	0.5
79.05500	4.1
81.07070	4.6
82.06591	0.6
83.08607	0.8
84.53711	0.4
91.05503	5.8
93.07047	7.0
94.06567	1.9
95.04986	0.7
95.08614	2.8
96.08135	3.4
97.06592	0.7
98.06092	1.0
100.07623	4.6
103.05460	0.6
105.06398	0.8
105.07047	9.7
106.06564	0.7
106.23154	0.5
107.08605	5.6
108.08115	1.6
109.10166	2.5
114.05536	3.1
115.05436	0.6
116.07106	6.0
117.07027	2.9
119.07809	0.8
119.08591	10.4
120.08122	3.6
120.26461	0.4
121.10146	3.9
122.09657	1.9
128.06236	0.9
128.07079	4.8
129.06993	1.8
130.07838	0.7
131.08575	6.6
132.08070	0.7
133.09190	0.6
133.10167	5.6
134.09665	1.5
135.08061	2.0
135.11699	1.2
136.11263	1.0
137.09631	0.5
141.06883	0.4
142.07759	1.3
142.08722	0.7
143.08586	4.8
144.09366	0.7
145.10132	5.6
145.11154	0.6
146.09673	1.0
147.11687	1.9
148.11226	5.5
149.09630	0.6
149.12022	0.8
150.12883	0.6
151.06323	1.2
154.08617	1.2
155.08571	1.2
156.09271	1.0
157.10149	5.1
158.10933	1.1
159.11714	3.0
160.11241	0.8
161.13338	1.0
162.12813	0.7
164.07085	0.7
166.08629	1.0
166.12422	0.5
167.08592	0.6
168.10236	16.6
169.10159	2.5
170.10905	0.6
171.11699	2.8
173.13280	4.2
175.14819	2.4
178.08652	4.2
179.08417	0.5
181.10074	1.2
183.11737	2.8
184.12474	0.6
185.13225	2.1
187.14828	1.0
192.10240	2.7
194.11844	10.5
195.11749	1.7
197.13245	2.2
199.14857	2.0
200.14363	0.5
205.15877	0.6
206.11778	1.3
209.13338	2.8
210.14235	0.5
211.14799	1.3
212.14252	0.5
222.14073	0.5
223.14839	1.0
224.15826	0.7
232.13486	1.3
234.14915	1.1
235.14825	0.7
245.14032	0.5
246.14809	0.6
253.16061	0.7
265.19534	1.1
283.20621	0.6
302.04166	1.1
306.20706	3.1
380.25769	2.1
398.26929	100.0
399.10782	2.2
399.27328	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	398.2695
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
50.93656	0.5
55.05519	3.2
66.76778	0.6
67.05518	5.0
68.05030	5.7
69.07053	2.5
70.06599	27.9
70.63995	0.9
70.64333	1.3
71.05006	1.1
79.05505	5.5
80.05019	0.7
81.07056	7.2
83.08613	0.8
91.05489	13.4
93.07060	8.2
94.06563	1.2
95.01346	0.6
95.04374	1.5
95.04977	23.4
95.08622	3.8
96.08143	3.3
97.06528	0.7
98.06065	1.3
100.07623	7.6
103.05453	1.2
105.07040	28.7
107.04806	0.6
107.08602	4.2
108.08142	3.7
109.10158	3.3
112.98155	0.6
114.05537	9.6
116.06336	1.2
116.07097	9.6
117.07033	9.4
119.08595	47.8
120.08127	4.5
120.08894	1.3
121.10160	6.3
121.56049	0.8
122.09678	6.8
124.38081	0.6
128.06233	1.9
128.07083	8.8
129.07014	4.7
130.07820	6.3
131.08577	12.1
133.10144	9.0
134.09682	2.2
135.08043	0.9
135.11723	1.0
136.11212	4.9
137.05896	0.6
137.09572	0.8
140.07079	0.9
140.10693	1.6
140.12683	0.6
142.07756	1.2
142.08707	0.8
143.08575	8.6
144.09384	3.9
145.10135	37.4
146.09627	1.5
146.10796	0.8
147.11691	8.9
148.11224	4.1
151.06287	2.2
154.08675	2.9
155.08575	1.4
156.09334	1.8
157.10158	5.7
158.10905	1.4
159.10515	0.8
159.11653	3.3
160.11263	1.2
161.09593	1.3
162.12654	0.6
164.07115	0.8
165.09186	0.7
166.08698	3.2
167.08603	0.8
168.10228	54.7
169.10196	2.5
171.11729	3.1
172.11212	0.9
173.13257	5.0
174.12805	0.9
175.14844	2.3
178.08646	11.4
179.08589	1.0
180.10242	0.8
181.10037	1.7
183.11728	3.0
185.13254	2.0
186.12788	1.6
187.14830	1.6
192.10199	2.6
193.73596	0.7
194.11827	8.5
195.11661	1.9
197.13290	1.4
199.14893	1.7
200.14409	1.1
202.16620	0.6
206.11888	0.8
206.15457	1.3
207.11687	1.1
209.13272	3.6
211.14828	1.8
212.14426	1.0
214.15823	3.3
218.11745	0.7
223.14853	1.1
230.11774	0.8
232.13426	1.5
234.14755	0.9
239.17969	1.7
244.13371	1.9
258.14871	4.7
259.15735	2.3
260.16489	39.1
265.19556	1.5
267.21140	1.5
274.17981	0.7
288.19586	3.0
328.37567	0.8
380.25873	66.9
381.26291	1.1
398.09570	1.9
398.26932	100.0
399.10895	1.6
399.19138	2.1
399.27222	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	398.2694
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
53.03957	1.2
55.05515	2.3
57.07078	1.1
65.15711	0.5
67.05516	2.6
68.05027	3.0
69.07068	1.8
69.20367	1.1
69.20781	3.4
70.06600	17.4
79.05500	4.5
81.05822	0.5
81.07068	4.5
83.08614	0.7
85.06566	0.8
91.05495	6.9
93.07056	8.3
94.06557	1.9
94.07736	0.5
95.04990	5.3
95.08606	3.6
96.08156	3.1
98.06056	1.3
100.07632	5.0
105.07052	12.3
106.06532	0.8
107.08605	6.2
108.08122	1.9
109.10162	2.4
114.05532	5.8
115.05476	0.6
116.06323	0.8
116.07106	5.6
117.07035	5.0
119.08595	17.9
120.08128	4.3
121.10149	3.8
122.09666	3.2
123.11753	0.7
128.06239	1.3
128.07100	7.6
129.07001	2.1
130.07806	2.3
131.08585	8.7
132.08095	0.7
133.09032	0.8
133.10147	6.0
134.09637	1.3
135.08069	1.2
135.11728	1.3
136.11243	1.9
138.09225	0.5
141.07007	0.5
142.07759	1.4
142.08720	0.6
143.08586	4.9
144.09361	2.0
145.10139	13.5
146.09677	1.8
147.11694	2.9
148.11237	6.4
150.12770	0.9
151.06303	1.6
152.07076	0.7
153.07021	0.5
154.08655	2.3
155.08574	1.5
156.09383	1.7
157.10153	5.3
158.10985	1.1
159.11708	2.9
160.11244	1.2
161.13274	1.1
161.59796	0.5
162.12759	0.9
164.07043	1.2
166.08693	1.0
167.08514	1.1
168.10242	22.7
169.10199	1.8
170.10928	0.5
171.11681	3.0
172.11185	0.8
173.13255	5.1
175.14839	2.2
178.08687	5.4
181.10150	1.4
183.11720	3.2
184.12535	0.6
185.13341	1.7
186.12836	0.9
187.14941	0.9
188.14433	0.6
192.10196	2.6
194.11852	10.0
195.11734	1.5
196.12556	0.7
197.13289	1.8
199.14894	1.4
203.78731	0.5
206.11908	1.3
209.13272	3.7
211.14806	1.2
214.16068	0.9
223.14815	0.9
227.14478	0.6
230.11726	0.5
232.13326	0.8
234.14922	1.6
235.14993	0.8
239.17908	0.8
244.13350	1.0
258.14926	1.0
259.15469	0.6
260.16483	7.1
265.19565	1.5
283.20596	0.6
306.20670	2.5
380.25879	13.3
398.26941	100.0
399.10651	0.6
399.27176	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	398.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97930	2.5
55.01876	4.4
57.03445	28.7
58.06596	6.5
59.04994	5.0
61.01899	2.8
61.02925	7.0
67.05497	4.0
69.03440	79.6
69.07079	30.0
70.04168	7.9
70.06603	7.1
71.04994	5.7
72.08167	14.5
72.08495	2.7
73.02920	4.0
73.06562	4.5
79.05480	5.0
81.03418	10.0
81.07071	4.9
84.04523	2.5
84.08156	3.1
85.02912	82.3
85.06569	2.5
87.00829	5.8
87.04476	58.5
90.09200	5.8
91.03955	4.0
91.05470	7.8
92.05798	2.7
93.07035	8.1
95.08582	8.0
97.02898	73.8
98.09679	3.9
99.04496	4.5
105.01863	3.2
105.07074	5.7
107.05024	2.6
109.02896	9.6
109.06496	3.1
109.10170	6.3
110.07146	2.8
111.04390	3.8
111.08111	15.6
114.05559	6.0
115.03937	86.5
115.07535	3.4
117.03374	4.0
119.04928	13.7
119.08581	5.3
127.03947	23.0
127.07595	4.6
128.07063	3.8
132.01207	3.5
133.04977	100.0
135.08040	2.7
137.09669	16.0
139.07565	7.0
145.02954	3.3
145.04968	37.1
147.04428	95.8
147.08063	7.9
148.04723	4.0
149.09711	2.8
150.07658	9.1
155.10704	7.2
158.11813	3.5
160.85077	2.5
163.06055	15.6
164.06886	3.4
165.09106	27.5
167.59982	2.5
174.07652	11.9
177.05505	6.4
183.10211	15.6
189.11320	3.5
201.11240	25.1
213.11363	3.2
219.12296	10.2
231.12148	3.5
236.12878	27.1
236.62726	2.6
259.08154	7.2
266.62030	2.6
277.08850	3.8
295.10315	10.2
380.08109	3.1
398.16580	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	398.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54309	0.1
51.02395	0.1
54.31131	0.1
55.05521	0.2
58.06596	0.2
65.03941	0.6
67.13750	0.2
69.03435	0.4
69.19632	0.1
69.49498	0.4
69.49911	0.8
70.06581	0.8
71.05009	0.4
72.08162	6.6
73.06586	0.2
84.08131	0.2
85.02915	0.6
86.00650	0.2
87.00816	0.2
90.09204	0.9
91.05489	4.0
97.02892	0.5
98.06051	1.2
98.21522	0.2
109.02900	0.2
119.04951	14.9
127.03917	0.8
127.07571	0.2
132.01146	0.4
132.04454	0.9
138.35988	0.1
144.06580	0.2
145.04964	0.3
147.04422	100.0
148.04739	0.5
163.03925	0.2
165.05440	0.3
165.09151	0.2
165.12793	0.4
172.07561	0.2
180.08849	0.3
182.65193	0.2
188.07114	0.3
201.11223	0.3
218.08212	0.2
231.06662	0.2
236.09135	0.6
236.12904	1.1
270.09729	0.2
278.00278	0.1
291.08685	0.9
306.15640	0.2
309.09726	3.3
332.65085	0.2
380.13333	0.4
398.18185	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	398.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85955	2.9
53.03955	5.9
55.01868	8.0
55.05502	11.2
57.03435	7.1
58.06601	4.4
61.02915	7.2
68.99785	3.4
69.03088	4.1
69.03435	47.4
69.07063	6.8
69.14574	8.4
69.14984	17.3
70.06578	7.8
71.04996	5.0
72.08154	3.5
73.02900	3.1
81.03429	29.2
81.07049	8.2
85.02912	100.0
85.30804	2.5
86.09696	5.3
87.00840	51.9
91.05489	5.9
93.07063	5.1
95.04957	6.1
95.08614	6.3
97.02890	27.6
97.10183	28.4
99.04465	20.0
105.01878	57.0
105.07037	4.5
107.08585	2.9
109.02891	30.4
109.10136	4.0
115.11205	9.5
117.01801	2.6
121.10189	3.5
123.11716	3.2
127.03931	85.0
128.07074	4.1
129.01814	6.7
129.46571	2.3
133.10110	3.5
137.05907	2.8
143.10689	5.6
145.04985	21.2
150.10054	2.5
159.02875	7.4
213.03928	7.3
223.13286	6.5
231.05009	34.6
241.14302	2.6
249.06020	6.6
264.28183	2.5
301.16559	4.2
327.14374	10.3
345.15524	31.8
392.98981	4.0
419.10892	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	398.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59750	0.3
53.03934	0.5
55.05509	0.8
57.03445	0.6
61.02923	0.8
65.03912	0.5
69.03421	1.6
69.53484	1.3
70.06581	0.5
71.04980	0.3
72.08163	15.0
73.02933	0.3
73.06565	0.5
80.64366	0.3
81.03426	1.1
84.04465	0.3
84.08191	0.3
84.28975	0.3
85.02915	3.8
86.00645	0.9
90.09213	4.5
91.03950	0.3
91.04958	0.4
91.05484	3.0
95.08611	1.0
97.02903	1.6
99.04482	0.4
105.07022	0.4
109.02876	0.9
109.10132	0.5
114.05528	1.7
115.03923	0.4
117.03333	0.2
119.04956	11.6
120.50758	0.3
127.03933	1.2
128.07092	0.6
129.44145	0.3
132.01198	2.4
137.09627	0.5
139.07591	0.3
145.04973	0.7
147.04424	100.0
148.04768	0.8
150.05511	0.5
155.10686	0.5
164.07115	0.3
165.09109	1.4
174.07620	1.4
177.05511	1.1
177.09129	0.4
183.10255	0.6
194.11728	0.6
201.11258	1.3
202.81300	0.4
207.06485	0.4
218.11870	0.3
219.12306	0.8
236.12842	35.7
237.13120	0.4
241.27422	0.3
252.12427	0.8
269.50919	0.3
284.80743	0.3
334.07733	0.5
366.11871	0.4
380.08099	0.8
388.16931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	0.7
69.03438	1.2
70.06578	0.4
70.43267	1.5
72.08160	15.2
73.06525	0.7
81.03457	0.5
85.02917	2.7
90.09207	4.5
91.05487	2.8
97.02882	0.8
98.00526	0.4
109.02879	0.5
119.04948	11.7
127.03951	0.8
132.01176	0.6
145.04941	0.7
147.04419	100.0
148.04811	0.6
217.75790	0.4
218.11800	0.8
219.26424	0.4
236.12830	38.8
237.13203	0.6
310.67926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45719	1.7
55.05525	13.7
57.07085	15.5
57.72969	1.4
61.11203	1.4
65.43727	1.4
67.05512	22.6
69.07075	28.2
69.80432	4.4
69.80829	4.0
71.08636	13.4
71.77496	1.6
72.70461	1.6
77.75032	1.7
79.05493	12.0
81.07071	54.9
83.08628	14.6
85.10178	8.8
91.05492	14.4
93.07056	24.3
95.08620	46.0
97.10192	10.2
97.99699	1.5
98.21436	2.5
105.07045	31.1
107.08607	20.5
109.10180	36.0
109.10919	2.2
111.11745	7.9
118.35641	1.6
119.08595	24.5
121.10168	17.9
123.11741	12.7
125.13267	1.9
131.08589	4.3
133.10161	16.5
135.11711	30.0
137.13261	3.5
145.10165	6.0
147.11711	52.5
149.13287	15.1
151.14792	3.1
159.11716	4.7
161.13275	37.3
163.14870	8.7
165.16451	2.9
171.51042	1.6
173.13292	4.3
175.14896	15.5
177.16466	2.7
187.14859	5.1
189.16479	9.8
201.16444	6.4
203.18025	9.7
215.17970	9.2
217.19479	4.4
221.22734	2.8
229.19562	3.8
233.22667	1.7
243.21136	8.0
257.22693	6.4
261.25775	4.8
275.27423	2.5
287.27383	4.4
289.28784	2.8
299.27283	2.5
301.28986	3.3
315.30527	3.3
397.38373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3104
Annotation	delta-Tocotrienol
Peak:m/z	Relative Intensity
55.05517	17.7
57.07076	6.6
66.69027	2.4
67.05501	7.4
69.07077	56.7
72.68418	2.5
79.05506	6.8
81.07063	70.0
83.08627	15.9
90.19639	2.3
90.64661	2.4
93.07056	11.0
95.08623	34.1
97.10174	4.7
103.05457	3.8
105.07014	4.1
107.08591	7.8
109.10179	19.8
111.11732	12.6
115.05511	2.9
117.07021	5.7
121.06505	6.1
121.10111	3.9
123.08220	2.3
123.11716	15.1
128.06223	5.2
129.06989	6.7
131.04959	7.6
131.08528	4.0
135.04430	4.0
135.11697	5.1
137.05994	53.1
137.13248	15.6
143.04976	3.9
143.08572	3.9
145.06517	10.8
147.07982	2.9
147.25362	3.1
149.05952	5.3
151.07538	32.6
157.06500	9.7
157.10097	3.0
157.51749	2.9
159.08060	16.3
161.06006	3.8
161.09709	4.1
163.07558	22.0
163.11131	3.2
165.09155	7.8
171.08083	10.1
173.09657	7.3
174.06783	5.4
175.07591	15.2
175.11243	2.6
177.09119	25.2
185.09680	8.8
187.11157	4.1
188.08290	4.0
189.09138	41.8
191.10690	47.0
197.09651	3.9
199.11168	5.8
201.09186	11.3
202.10063	3.4
203.10675	25.8
205.12271	15.9
215.10777	7.3
217.12321	23.2
219.13843	11.3
229.12352	4.7
231.13800	9.8
233.15440	4.7
241.15982	6.1
243.13916	3.3
245.15465	4.5
257.15311	3.4
259.16998	12.8
271.16895	5.9
273.18527	100.0
285.18521	5.6
287.20126	11.4
313.21729	16.2
315.23209	25.3
327.23160	6.6
341.24756	3.3
385.46942	3.0
397.31055	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.274
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
53.03955	1.5
55.01882	1.0
55.05511	1.8
57.07091	0.8
61.53925	0.4
65.03946	1.3
65.67224	0.4
65.86806	0.4
66.85108	0.4
67.05508	9.3
69.03437	0.6
69.07083	2.0
71.04983	0.6
71.53107	0.6
72.34721	0.5
79.05499	21.1
81.03420	0.7
81.07061	100.0
83.05000	1.0
83.08620	0.9
85.06550	1.2
91.04916	0.6
91.05484	10.6
93.07049	7.1
95.04967	1.6
95.08619	7.8
97.06535	1.2
99.08097	1.1
103.05460	0.4
105.07037	7.4
107.04980	0.8
107.08605	11.7
109.06526	43.9
109.10164	5.6
111.08106	1.1
115.05436	0.7
117.06995	3.2
119.08591	13.0
121.06552	1.2
121.10156	4.9
123.08059	3.7
123.11714	4.7
125.09655	0.6
128.06281	0.9
129.07031	1.5
131.08575	5.9
133.06517	0.9
133.10141	9.9
135.04439	1.3
135.08054	10.2
135.11719	2.8
137.09644	1.8
137.13359	0.7
139.11288	0.6
141.07024	1.0
142.07826	0.9
143.08578	3.5
144.09392	0.8
145.10136	6.8
147.08115	1.0
147.11707	4.9
149.09630	4.4
149.13278	2.0
151.07600	0.8
151.11232	1.3
155.07091	0.6
155.08498	1.0
156.09392	0.8
157.10136	4.6
159.08044	0.7
159.11703	7.8
159.55769	0.5
161.09639	2.4
161.13315	3.9
163.11192	2.5
163.14894	0.7
165.12755	1.6
167.08649	0.5
169.10191	1.8
170.10966	0.6
171.11728	4.6
173.13246	4.4
175.11176	2.3
175.14870	1.3
177.09033	0.7
177.12758	2.1
177.16275	0.6
179.10745	2.1
179.14337	0.7
181.10182	0.9
183.11696	2.4
185.13243	4.2
187.11278	1.4
187.14787	4.7
189.12794	2.4
189.16515	0.6
191.14333	1.3
193.12242	1.0
195.11696	1.0
197.13237	2.4
199.11153	0.7
199.14839	2.4
201.12766	2.4
201.16405	1.7
203.14302	4.5
205.15909	1.5
209.13275	0.9
211.14795	0.8
213.16454	3.7
215.14339	2.9
215.18050	0.7
217.15936	1.4
219.17433	0.8
221.13257	0.7
223.14795	1.0
225.16365	1.1
227.14314	1.3
227.17918	2.3
229.16023	0.5
229.19519	2.6
231.17448	2.5
239.17838	0.5
241.15915	0.8
243.17435	1.5
243.20982	1.0
245.19052	3.7
251.18056	0.9
253.19548	1.7
255.17485	0.6
259.20651	1.6
263.18298	0.5
271.20609	5.6
287.20160	0.9
289.21649	12.4
293.19354	0.7
309.22192	1.6
311.23749	0.8
335.23654	1.8
337.25223	2.3
351.26849	0.8
353.24716	1.9
355.26544	0.9
361.25262	1.9
367.26352	1.0
379.26315	9.6
397.27396	89.8
398.27646	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52695	0.4
52.80857	0.5
67.05506	0.9
70.38880	1.6
81.03420	0.6
82.06259	0.5
84.08225	0.6
85.06532	1.3
91.05494	6.3
98.21442	0.4
103.05476	0.5
104.41048	0.5
105.07024	1.7
115.05491	0.6
117.07022	2.5
119.04945	0.6
119.07774	0.8
119.08584	5.6
121.06499	0.9
128.06245	0.7
128.66470	0.5
129.06990	1.5
131.04984	0.9
131.08578	10.0
133.06499	0.7
141.07048	0.5
142.07814	0.8
143.08588	1.1
144.05714	1.2
145.06497	4.1
145.10147	5.6
147.08061	100.0
153.07042	0.8
155.08574	17.9
157.06458	1.0
158.07259	5.3
159.08090	8.9
168.09261	0.7
171.08060	1.1
172.08849	0.7
173.09641	21.2
173.13220	1.7
177.05486	1.3
183.11723	1.5
191.10695	32.4
201.12773	24.3
217.12227	0.7
219.13824	30.8
220.14211	0.9
364.25272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10712	2.1
58.06603	21.4
64.55666	2.2
70.06613	5.6
70.41184	8.0
84.08157	6.6
96.86539	2.1
98.97633	2.9
125.53185	2.1
130.08629	2.7
146.06053	7.3
158.06032	4.8
160.07593	37.3
183.35620	2.1
188.09467	7.5
202.11092	2.8
203.11806	70.6
273.79742	2.3
286.12973	4.1
337.09473	2.8
365.17117	100.0
397.05408	17.2
397.11072	3.1
397.20090	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	397.0911
Annotation	4'-O-Demethyldehydropodophyllotoxin
Peak:m/z	Relative Intensity
51.02382	0.1
53.03939	0.4
55.01631	0.1
55.01873	1.3
57.03443	1.2
61.02931	0.1
65.03941	0.5
67.01868	0.3
67.05487	0.1
67.24203	0.1
68.99781	1.4
69.00118	0.1
69.03426	0.6
69.32468	0.8
79.01844	0.2
79.05489	0.3
81.03423	1.2
81.07072	0.2
85.02907	2.5
91.05486	1.9
92.99767	0.3
93.03381	0.2
93.07031	0.1
95.04961	0.3
96.26287	0.1
97.02898	0.9
103.05453	0.5
105.03397	0.3
105.06997	0.1
107.04961	0.3
109.02896	1.6
109.06544	0.3
111.04462	0.2
115.05460	0.3
117.03427	0.1
119.04945	4.2
121.02871	12.3
121.06510	0.2
122.03186	0.1
123.00761	0.9
123.04428	0.2
124.01674	0.1
127.03929	0.1
131.04921	1.3
133.02856	0.1
133.06581	0.1
135.04416	0.5
135.05338	0.1
137.02354	0.6
141.01833	1.8
143.04895	0.2
145.02846	3.8
147.04391	1.0
149.02353	1.0
149.05998	0.3
151.03888	0.1
153.01862	0.5
159.04437	1.1
161.02319	0.2
161.06001	0.2
161.51372	0.1
162.04167	0.1
163.00243	0.4
163.02542	0.2
163.03918	3.6
164.26967	0.1
165.01839	21.1
166.02219	0.3
167.03424	0.8
169.02867	0.4
171.04378	0.5
173.02400	0.2
175.03903	0.8
176.00998	0.1
177.01930	0.5
177.05496	1.3
178.99771	0.4
179.03366	0.7
181.04974	0.4
183.02898	4.7
185.06021	0.2
187.03929	3.6
189.01816	1.5
189.05510	0.1
190.02625	0.6
190.99738	0.8
191.03424	0.8
193.04950	0.2
195.02873	0.2
195.06555	0.2
197.00740	0.2
197.02319	0.2
199.03928	0.4
202.02675	0.2
203.03403	1.4
205.01352	0.3
205.04970	2.3
206.05421	0.1
207.02911	0.7
207.08235	0.1
208.03607	0.1
209.00868	0.3
209.04320	0.2
210.06752	0.2
211.07605	0.2
213.01877	0.2
213.05495	0.4
215.03404	1.8
217.05017	0.2
219.02968	0.2
221.04440	0.4
229.05008	0.9
231.02867	1.0
233.04451	1.0
234.06696	0.1
239.07199	0.4
241.04910	0.2
242.05817	0.4
243.02896	1.4
249.03949	0.3
249.09129	0.2
251.07140	0.1
252.07774	0.1
253.08586	0.3
254.05772	0.2
255.06541	1.0
256.07190	0.4
261.03976	0.8
263.06836	0.2
265.08420	0.1
266.05737	0.2
267.06534	3.8
267.09418	0.1
268.07089	0.2
269.04465	0.4
270.05222	1.6
271.06021	7.4
272.06363	0.1
273.03903	0.4
277.08621	0.8
278.12222	0.1
279.06552	3.6
280.07257	0.5
281.04553	0.7
281.08072	4.2
282.05206	0.1
282.08182	0.1
283.06012	100.0
284.06534	4.1
285.07458	0.1
287.07211	0.1
289.08536	0.4
291.06549	0.3
293.08057	1.6
294.05157	0.6
295.06015	7.2
295.09637	5.5
296.06454	0.3
296.09964	0.2
297.03928	1.4
297.07568	5.3
298.08066	0.1
299.05368	0.1
303.06595	0.2
305.08075	5.4
306.08615	0.2
307.06000	4.3
308.06790	4.8
309.03915	4.0
309.07556	9.3
310.04486	0.3
310.07904	0.3
311.05539	2.1
311.09164	0.3
312.05429	0.1
313.07095	3.5
314.07388	0.1
319.05914	0.2
320.06720	0.6
321.07581	6.2
322.08249	0.4
323.05771	1.8
323.09119	34.5
324.05997	0.2
324.09540	1.0
325.07147	0.5
331.06024	0.2
333.07565	6.6
334.08041	0.2
335.05453	1.3
335.09177	0.4
336.06277	0.5
337.07068	4.6
338.07629	0.2
339.08316	0.1
349.07068	25.5
350.07434	1.0
351.08643	9.0
352.09027	0.2
353.06558	0.2
361.07071	10.7
362.07376	0.4
367.08130	9.6
368.08408	0.3
369.09445	0.2
379.08133	26.6
380.08524	1.0
397.09189	49.3
398.09555	1.8
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
53.03938	6.9
60.68509	5.1
65.03938	8.5
67.05505	26.3
69.07064	7.9
70.06590	4.4
71.52530	4.7
75.04485	10.4
79.05506	30.1
81.07067	34.1
91.05502	39.6
93.07051	100.0
95.04948	16.5
95.08617	24.7
97.06527	10.0
102.86379	4.0
103.05467	7.2
105.04478	6.3
105.07045	74.1
107.08606	61.0
109.06497	8.9
109.10168	39.8
115.05466	14.6
116.46970	4.1
117.07057	4.0
118.04144	4.7
119.08571	4.9
133.06509	58.5
135.11690	66.9
149.05945	5.4
161.05988	94.5
167.07027	19.5
193.08598	68.4
207.10100	5.4
211.09618	11.1
239.79266	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	396.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.2
55.05502	9.7
65.03931	5.7
67.05514	19.8
69.07067	6.0
70.06595	5.9
70.10394	12.4
70.44456	3.2
72.08167	16.7
75.04472	7.1
77.03957	3.6
79.05515	20.7
81.03407	3.4
81.07066	31.5
91.05491	28.0
93.07055	77.3
95.04957	8.4
95.08640	15.9
97.06522	11.2
98.07355	3.2
100.87573	2.7
103.05444	5.7
105.07044	60.8
107.08618	45.5
109.06528	7.0
109.10187	32.8
111.86749	3.6
115.05461	9.3
118.19223	2.9
119.04929	4.2
119.08591	3.8
121.06505	3.6
133.06497	45.6
135.04414	10.9
135.11710	60.9
136.12120	3.5
137.09631	3.8
143.06064	4.6
149.06021	4.2
151.07550	4.2
152.12012	4.3
161.04640	5.2
161.06000	100.0
167.07062	15.2
188.20282	3.6
193.08640	63.6
198.37944	3.0
199.44640	3.7
211.09668	10.5
233.89384	3.4
239.30730	3.8
327.13391	4.2
378.29926	5.4
396.30923	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	396.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87914	0.8
55.05515	6.2
57.03424	1.6
59.04995	0.8
61.02927	1.5
62.43733	0.8
67.05489	1.1
69.03439	5.6
69.07078	36.3
69.58853	5.7
70.06608	1.7
71.05003	1.1
72.08142	1.6
79.05491	1.7
81.03424	1.4
81.07066	8.1
83.04981	3.0
83.47181	0.8
85.02915	9.3
85.68394	0.9
87.04470	1.2
91.05447	1.0
93.07045	2.9
95.08605	4.5
97.02912	4.1
97.06558	4.8
97.10184	32.9
98.97595	2.0
99.04452	1.3
101.83560	0.8
107.04939	1.8
109.02853	1.3
111.11737	28.1
112.12059	1.0
121.10168	6.1
127.03930	2.4
129.12749	1.2
131.04904	1.3
139.11198	52.7
145.05013	1.5
151.03864	2.3
151.07547	1.9
152.31857	0.9
157.12238	3.5
157.22311	0.9
158.99706	0.9
171.13818	56.2
180.08661	2.6
180.40887	0.9
199.13217	0.9
203.12820	2.8
217.14375	100.0
236.14777	0.8
237.02948	1.7
351.12234	0.9
396.21265	1.1
397.16632	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14463	0.5
56.96568	1.1
57.01893	0.5
62.32808	0.5
69.41734	1.9
69.42160	1.7
70.06607	3.6
77.20393	0.5
82.06593	2.4
84.08154	100.0
84.96049	0.6
85.08514	0.6
98.21520	1.0
98.97589	3.3
102.99517	0.5
110.97579	1.1
112.07636	4.1
116.07090	1.7
116.98631	1.1
128.98651	1.0
130.08655	16.4
131.00185	0.7
152.05617	0.5
158.06593	0.6
158.99695	1.3
168.05151	4.0
170.06651	2.0
186.06154	6.8
188.07681	4.7
189.00676	0.7
196.04591	1.0
198.06210	1.3
216.05492	0.7
216.07265	1.2
235.12904	0.7
239.12492	2.9
241.13960	2.0
249.10890	8.7
253.14043	4.2
255.15462	0.6
257.13428	1.0
259.66370	0.6
265.10272	0.7
267.11893	11.7
279.12000	2.8
280.04074	0.5
281.13409	3.9
283.11520	2.1
285.12982	85.6
286.13165	1.4
297.12946	9.0
299.14551	51.9
303.14200	1.2
306.45563	0.6
308.14578	1.8
313.15631	0.6
317.15582	10.8
322.16089	1.3
337.09421	0.6
388.70261	0.6
396.19873	31.7
397.19910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46311	0.5
63.43364	0.5
64.42274	0.7
69.73930	2.8
69.74337	0.8
70.06592	3.1
82.06586	2.4
84.08154	100.0
98.21484	1.1
112.07620	4.3
130.08649	14.9
132.06622	0.5
150.39017	0.7
168.05095	5.1
170.06665	2.4
186.06140	7.8
187.06258	0.7
188.07668	4.6
196.04626	0.7
198.06158	1.6
216.07242	0.9
235.13019	1.1
239.12454	3.7
241.13994	1.4
249.10881	10.5
253.13995	4.3
255.15709	1.2
257.13379	0.8
267.11908	9.9
279.11911	2.6
281.10831	0.8
281.13492	4.7
283.11346	3.0
285.12982	90.2
286.13242	2.1
297.12970	9.5
299.14554	51.5
300.14673	0.7
303.14072	1.6
308.14639	1.2
315.14319	0.8
317.15637	12.7
396.19858	28.7
397.20242	0.6
409.76816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60532	0.2
64.04144	0.2
65.03932	0.6
67.05506	0.3
68.05047	0.3
69.03440	0.9
70.06598	4.7
71.05010	1.3
71.51912	0.3
79.05492	0.3
81.03450	0.2
81.07032	0.3
81.91949	0.2
83.04955	0.2
84.08148	0.5
85.02908	0.6
86.09747	0.4
91.05494	5.5
91.08339	0.2
93.07064	0.4
94.29942	0.2
95.04990	0.2
95.08611	0.4
97.02898	0.7
102.05550	0.2
102.55472	0.2
104.94255	0.2
105.07019	0.2
107.04982	0.3
107.08598	0.2
113.09644	1.0
119.04959	18.1
119.08621	0.2
120.04485	0.2
120.05280	0.5
121.06549	0.4
121.10144	0.4
122.06049	0.2
127.03953	0.6
131.04868	0.2
136.07614	0.3
146.83455	0.2
147.04427	100.0
148.04794	1.3
149.05981	0.2
153.09154	0.3
153.12735	0.7
164.07089	17.8
165.07460	0.3
174.07640	0.2
189.09143	0.4
199.09824	0.2
237.12383	0.4
291.08633	0.6
309.09769	2.5
326.12390	4.6
370.10074	0.2
396.16809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90472	1.4
53.03944	8.0
53.14618	1.8
55.01879	8.3
57.03425	6.8
61.02914	6.0
68.99792	2.9
69.03432	36.4
70.06577	6.9
71.05009	7.3
71.53462	2.2
72.08136	2.6
72.19648	1.6
73.02925	8.6
77.51482	1.5
78.16054	1.3
81.03420	28.1
81.07065	1.5
84.72739	1.5
85.02908	100.0
87.00318	2.2
87.00831	40.9
91.03966	3.0
93.07037	3.1
95.08593	7.0
97.02303	2.5
97.02898	41.3
99.04465	15.4
105.01868	73.5
105.07057	2.2
107.08595	1.7
108.76115	1.5
109.02886	33.4
109.62273	1.5
113.09638	3.2
116.07104	2.8
117.01855	5.4
121.10130	3.5
127.03924	91.9
129.01819	3.4
131.10689	11.8
141.39957	1.8
145.04967	42.5
145.10204	1.6
147.02853	3.4
159.02898	16.8
169.28935	1.8
175.11896	3.0
189.03996	2.6
199.13290	5.4
213.03969	6.3
231.04993	28.1
249.06084	5.2
327.35818	1.6
363.92865	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.0
55.01874	10.6
56.05041	6.9
57.03440	7.3
57.07087	2.6
58.62769	1.9
58.81112	1.6
61.02930	7.5
69.03437	38.0
69.07078	5.8
70.06602	11.6
71.04987	5.5
71.51266	1.7
71.51649	2.2
72.08157	5.9
73.02908	8.1
74.02435	3.6
74.06073	4.6
81.03419	23.1
81.07035	2.5
84.04508	7.7
84.08153	11.5
85.02914	100.0
86.06056	2.1
86.09696	6.2
87.00842	35.5
87.04487	2.3
90.08091	1.6
91.05480	2.5
95.05004	3.4
97.02902	38.4
99.04477	12.7
101.02483	1.7
102.05545	8.3
105.01878	69.4
105.03397	3.6
109.02896	30.6
109.25385	1.9
113.06023	1.9
116.07106	2.0
117.01860	4.8
120.08134	4.5
127.02973	4.0
127.03925	81.4
129.01881	3.8
129.10231	4.3
130.08690	1.8
131.07051	4.8
135.04503	2.1
136.07597	6.3
139.11111	2.3
145.03912	3.5
145.04982	41.6
145.06152	2.0
147.04445	2.0
159.02927	19.5
162.81242	1.6
163.03952	8.8
177.03922	2.1
199.09518	2.2
203.11046	9.9
213.03918	3.9
231.04990	31.4
234.11320	6.4
249.06088	11.8
254.13799	2.3
277.14685	3.9
361.11252	2.5
396.12589	4.1
396.20239	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	395.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01432	0.7
56.11111	0.6
57.49213	0.8
67.05495	1.1
69.39525	3.0
69.39944	2.7
70.34251	0.7
70.98019	0.7
79.05499	1.0
81.07067	1.9
83.18481	0.7
91.05475	1.5
93.07048	0.7
95.08624	1.3
97.30891	0.7
105.07047	1.1
107.08589	1.2
121.06499	1.1
121.91592	0.7
128.06180	1.0
129.06993	2.4
131.04967	0.7
137.05989	9.4
144.05707	7.1
145.06485	0.9
145.10104	1.0
157.06494	1.8
158.07245	1.2
159.08057	1.5
160.05293	1.1
161.05971	1.5
161.09595	1.0
163.11220	0.9
171.08121	0.7
172.05212	13.4
173.09641	5.5
174.06802	1.8
175.07497	3.9
176.08296	1.2
185.09547	0.8
187.07565	100.0
188.08046	1.2
189.09106	3.2
191.10657	5.9
201.09116	1.2
204.09377	0.8
205.10353	0.9
215.10660	1.3
217.08649	6.7
219.11697	2.2
224.08316	2.8
232.08888	1.5
233.09607	1.5
237.09109	1.4
247.11215	2.2
249.09270	1.2
261.09247	1.0
263.10721	4.7
264.11481	2.3
275.10672	1.9
277.08621	2.7
278.09412	2.6
279.13803	8.5
291.10141	2.8
292.10974	3.0
293.11661	1.3
301.12354	1.2
306.12540	11.3
307.13284	16.4
312.11630	1.1
315.13586	0.8
317.12067	1.0
321.11252	3.0
327.13892	2.3
329.11777	2.7
344.14093	1.4
347.16489	3.2
359.16492	8.8
377.17480	8.9
395.18567	3.8
395.29391	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03196	2.9
63.23331	3.4
67.05476	3.3
69.07076	90.0
71.04976	4.4
71.52675	4.2
81.07049	5.5
91.05481	8.5
105.07014	4.0
106.47598	3.1
107.04932	3.1
115.05448	6.4
121.10165	4.3
122.03639	4.7
122.38651	3.5
123.04436	51.1
129.07019	8.6
131.04959	8.1
133.02835	4.9
135.04442	5.7
135.07948	3.1
137.05978	72.1
137.06943	4.8
138.73752	3.2
145.06491	4.4
151.03897	5.3
151.07535	3.9
157.06485	8.9
161.05975	27.9
163.03963	8.1
163.07561	5.9
165.05473	7.2
172.05188	4.0
173.06053	12.2
174.06744	5.1
175.07574	19.1
177.05490	4.2
177.09216	3.7
181.91765	3.5
185.06052	5.0
187.06012	5.4
187.07536	34.6
189.09062	8.9
191.10736	7.9
196.05136	6.4
197.05957	19.0
199.07613	4.0
202.07858	3.6
203.06941	5.1
203.08588	16.4
203.10294	3.9
205.08560	4.7
211.07480	15.8
212.04781	6.0
213.05490	21.2
214.57155	3.2
217.08557	8.0
219.08156	5.1
221.09702	4.7
221.18420	3.3
223.07672	3.5
225.05521	12.0
226.06279	13.6
227.07040	10.5
231.08064	19.7
233.09581	4.9
234.06871	6.4
237.09210	4.5
239.07079	13.0
239.10666	4.3
240.07790	10.8
241.04932	23.8
241.08586	7.4
241.12274	5.0
242.05856	4.5
243.08051	4.0
246.90125	3.6
247.07381	3.9
248.08279	14.7
249.09108	18.7
251.07097	5.2
254.05815	3.4
255.06512	16.9
256.07339	71.9
257.08084	66.6
259.07553	4.9
260.08292	4.4
261.09268	6.3
262.10135	3.6
263.06946	8.4
263.10681	11.3
265.08630	8.7
268.07236	19.6
269.08063	29.7
276.07867	9.3
277.08578	50.0
278.09412	5.8
279.06549	3.2
279.09894	3.7
281.08093	5.4
281.11682	5.9
282.08917	7.0
283.09729	4.8
289.08731	5.2
291.10147	28.3
293.08224	7.5
294.08844	14.1
295.09775	6.6
297.11264	12.1
307.09515	4.2
308.10565	3.4
309.11246	100.0
311.12732	3.3
321.11234	16.1
324.13541	44.1
325.14392	9.8
326.11591	5.0
327.12271	62.4
337.14670	7.8
339.12305	6.6
359.16510	3.7
377.17526	24.1
395.18640	37.0
395.27835	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	395.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.9
55.01869	9.6
55.05509	3.4
57.03432	12.2
57.13361	2.9
61.02924	9.4
63.54134	2.5
67.05504	3.3
68.99789	12.7
69.03439	26.6
71.52738	4.4
73.02911	4.6
79.05495	8.5
81.03438	20.5
81.07056	7.0
83.04948	3.5
84.08138	3.5
85.02914	50.1
87.00847	22.2
91.05495	14.2
93.07056	7.8
95.04968	6.1
97.02905	15.4
99.04459	9.1
103.03960	19.3
103.05462	4.2
105.07030	16.2
105.73391	3.0
107.04945	7.2
107.07235	2.8
107.08607	6.1
109.02909	4.7
111.04443	4.1
115.05476	17.5
117.07051	25.2
119.08588	6.7
121.06538	7.3
123.04418	4.0
127.03904	7.7
128.06200	14.2
129.01842	12.6
129.07011	24.0
131.04910	11.2
131.08585	11.8
132.05698	4.9
133.06543	7.0
137.05983	20.2
141.07036	14.1
143.04926	5.9
143.08607	4.9
144.05701	13.6
145.06525	25.5
145.10132	15.0
147.02933	7.8
147.04439	4.8
148.05252	3.8
151.07536	7.5
152.06224	4.8
153.06921	7.2
155.04800	3.5
155.06056	3.6
155.08533	6.2
157.06531	20.0
158.07265	10.2
159.08073	8.1
159.11661	6.8
160.05229	17.2
161.05988	12.3
161.09653	5.0
162.06721	4.1
163.07544	11.0
163.11191	10.4
165.06960	6.5
167.08617	17.2
169.06445	14.2
170.07268	4.0
171.08040	14.4
172.05243	9.9
173.09633	8.4
174.06770	17.5
175.07568	83.1
177.09125	52.8
181.06468	12.1
181.10034	3.0
183.08031	9.9
185.09615	5.5
186.06783	12.2
187.07561	100.0
187.11185	9.4
188.04634	4.5
189.03976	10.0
189.09116	50.0
190.06378	3.2
191.06979	9.3
191.10657	9.0
195.08067	30.1
197.06020	7.3
198.06844	3.9
199.07558	10.5
201.09125	68.5
203.07086	4.9
203.10698	11.2
205.06816	4.0
205.08652	5.5
209.09622	5.6
211.07610	5.3
212.08315	7.8
213.09178	24.2
214.06271	6.5
215.10646	20.6
217.08653	5.0
220.18221	5.1
223.07553	11.0
225.09138	5.2
227.07137	3.7
227.10678	39.5
229.08609	19.0
231.10184	24.2
233.11783	8.0
237.09076	4.5
240.08241	4.1
241.08546	3.7
243.10181	8.8
245.11778	8.3
255.10199	59.5
273.11243	39.2
291.12198	7.6
395.11191	4.0
395.16858	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	394.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
56.96561	2.4
57.03445	2.1
58.06608	4.4
60.04531	4.6
61.02940	2.7
65.03962	2.2
69.03447	6.5
70.06596	7.1
71.50773	2.0
71.51155	1.8
79.05501	6.3
81.03411	3.9
84.04531	1.9
84.08152	3.8
85.02911	17.7
87.04488	2.3
91.05489	17.6
95.01128	1.8
97.02896	7.5
98.97601	3.7
99.04462	2.4
107.04968	9.0
109.02874	2.3
113.28720	1.5
116.07116	2.2
116.98636	1.8
119.04965	48.2
120.08103	1.8
121.06558	3.6
122.02427	1.7
122.03625	1.4
124.04007	2.6
125.22450	1.5
127.03921	10.8
135.04414	15.3
137.05998	37.8
140.03455	16.5
141.05438	2.8
145.04973	3.1
147.04433	76.0
149.06003	7.5
151.07564	10.8
160.07625	2.6
161.08223	1.5
161.71504	1.6
163.03889	7.9
167.07066	23.6
169.06755	1.8
177.05499	3.1
179.07059	100.0
181.04999	2.9
191.07018	2.8
197.08122	6.0
207.03008	2.0
208.03233	3.1
219.01814	1.9
229.08685	2.8
232.23967	1.6
258.04163	1.9
263.64130	1.6
266.06598	3.3
274.04330	1.9
293.10056	2.1
309.06036	3.4
310.06247	4.3
311.00946	2.8
311.11310	6.2
335.00845	1.8
358.22168	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	395.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06090	0.9
69.03409	0.6
69.34193	4.0
70.06580	2.2
72.08141	0.7
73.45889	0.5
76.34227	0.4
84.08151	1.3
85.02901	1.3
86.09704	1.2
91.05489	0.6
93.07038	0.5
97.02927	1.2
105.07014	0.5
119.04960	0.5
120.08121	0.6
129.10249	1.0
147.04404	2.7
185.04272	2.8
217.04781	0.8
219.08878	1.0
224.22520	0.5
232.07101	12.3
232.09503	0.6
233.07870	6.7
233.11986	0.5
234.11269	6.5
364.11380	1.4
395.13174	100.0
396.13535	1.8
412.27924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.6
53.03937	1.3
67.37257	0.4
68.99769	0.4
69.03428	1.8
69.20792	2.0
69.21210	2.4
71.04994	0.7
76.96988	0.5
78.03456	3.8
80.05019	1.5
81.03428	6.0
85.02905	2.0
86.09715	0.9
86.44924	0.4
93.07049	0.8
96.04486	1.1
97.02895	2.2
99.04469	1.8
106.02921	11.7
109.02892	5.2
115.35282	0.4
121.10150	1.4
124.03963	100.0
127.03926	75.9
127.05890	0.7
127.70319	0.5
134.24980	0.5
146.06023	3.2
166.05038	0.6
226.07082	0.7
250.07114	6.5
268.08182	99.4
269.08459	1.7
366.11249	0.5
394.11230	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	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.2
55.01873	4.0
55.05521	16.3
57.03436	2.6
57.07074	10.5
65.03948	4.4
67.05511	35.6
69.07072	22.9
69.39332	2.7
69.74391	5.8
69.74806	9.9
79.05496	39.0
81.07065	67.7
83.04988	6.1
83.08624	8.7
85.06513	4.2
91.05492	58.6
92.06225	2.5
93.07050	93.1
95.04982	57.3
95.08619	64.8
97.06528	10.1
98.20853	5.8
98.98444	3.3
103.05515	5.2
105.04523	2.7
105.07047	100.0
107.05008	3.9
107.08601	54.0
109.06551	17.4
109.10173	35.3
115.05470	4.3
117.07024	25.6
119.08601	92.9
121.06520	22.7
121.10155	43.4
123.08073	5.4
123.11748	15.4
123.12492	2.5
125.09661	3.2
128.06245	7.8
129.07014	18.5
130.07800	10.4
131.04861	2.8
131.08585	41.3
132.09332	3.0
133.10143	54.8
133.11104	4.5
135.08061	7.9
135.11705	26.3
137.09647	3.9
139.11165	3.8
140.39964	2.9
141.06989	6.1
142.07809	24.5
143.08582	37.5
144.09370	10.9
145.10141	70.2
145.11299	4.1
146.07329	3.5
147.08112	5.2
147.11710	26.8
148.11908	3.4
149.09612	5.1
149.13225	3.5
154.07773	3.4
155.08562	11.6
156.09381	13.0
157.10149	56.7
158.10857	6.1
159.08142	3.1
159.11710	42.4
161.09631	14.1
161.13283	14.2
163.11235	3.3
165.07158	2.6
167.08586	7.6
168.09352	7.4
169.10120	20.5
170.10880	5.0
171.11710	25.4
173.09595	5.5
173.13252	22.5
175.11212	12.4
175.14809	18.2
179.08531	7.0
181.10100	10.1
182.10962	4.6
183.11684	20.4
184.12534	3.8
185.13292	11.7
186.14027	4.3
187.11188	13.4
187.14847	12.0
192.09386	4.4
193.10161	6.3
194.10895	5.2
195.11690	12.0
197.13194	14.8
198.13991	3.3
199.14865	7.7
201.12866	3.7
201.16388	7.1
207.11687	7.7
209.13220	13.0
210.14091	3.3
211.14891	8.3
213.16463	5.6
215.14229	3.5
219.17628	2.8
221.13353	6.5
223.14853	7.4
225.16353	3.6
227.14325	3.9
235.14845	8.9
239.18030	5.2
251.17921	5.4
253.15837	4.8
253.19759	4.5
265.19708	6.1
266.20493	3.2
375.26837	9.2
393.27798	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01881	6.0
55.05510	13.8
57.07080	4.2
61.02930	4.5
67.05501	14.0
69.03431	13.2
69.07066	15.3
70.06258	4.5
70.06602	59.3
71.04990	11.7
71.06921	11.0
71.51861	5.2
72.08151	5.5
77.43904	3.8
79.05489	9.7
81.03441	5.1
81.07072	41.8
83.04993	7.5
83.08626	13.3
84.08151	6.1
85.02917	68.4
85.06539	7.4
86.09725	24.1
87.40995	3.0
91.03931	3.1
91.05495	6.8
93.07039	20.2
95.05045	3.9
95.08618	74.9
97.02900	13.5
97.06547	8.8
97.10166	9.8
99.04446	6.2
99.08095	5.9
105.07040	9.8
107.08607	37.0
109.02883	8.6
109.10168	20.2
115.07553	4.3
116.07104	77.8
117.07452	23.3
120.08131	7.6
121.06551	5.2
121.10147	49.7
121.10945	5.0
123.04422	8.9
123.11699	19.7
124.04749	6.6
125.07108	5.9
125.09641	3.7
127.03928	15.8
133.10132	3.7
134.16463	3.2
135.08102	3.6
135.11717	29.0
136.12035	13.3
137.13284	20.2
139.11192	3.6
145.05002	16.6
146.06015	53.5
163.03926	4.0
163.06029	6.5
177.12805	8.0
177.16411	100.0
178.13138	9.8
195.13844	32.8
195.17465	31.2
196.14160	60.9
213.14867	9.6
213.18488	28.2
214.15213	20.0
216.08830	59.8
225.06511	8.9
230.10306	6.1
231.11443	5.3
240.08871	38.0
240.13954	3.8
262.83820	3.3
283.74887	3.3
300.10962	26.1
348.18945	12.9
375.14407	3.6
393.15298	27.1
393.24286	9.3
394.11298	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	393.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.3
56.05015	1.1
57.03425	3.8
57.07056	1.1
58.06609	1.2
61.02909	1.6
65.03945	1.3
67.05502	3.1
67.41548	1.0
69.03439	5.7
69.07079	6.0
70.06596	11.0
70.47461	2.9
71.04979	2.6
71.50307	1.1
72.08155	8.1
74.02409	1.1
74.04969	1.1
79.05501	1.9
81.03416	3.2
81.07058	6.4
83.08614	2.8
84.04496	2.3
84.08147	8.3
85.02918	19.4
85.06547	2.1
86.09709	7.3
88.04002	2.5
91.05473	3.6
93.07044	4.3
95.04987	1.3
95.08619	8.7
97.02903	3.5
99.08132	1.6
105.07060	1.3
107.04970	1.8
107.08589	5.5
109.02897	2.8
109.10160	5.3
110.07169	2.0
116.07081	1.6
119.08590	1.5
120.08116	7.6
121.10143	6.9
123.11694	4.4
125.09613	1.8
127.03931	6.0
129.10251	4.0
133.06010	1.1
133.10118	1.5
135.11710	3.2
136.07587	1.6
137.06018	3.1
137.13269	2.5
139.14816	1.4
141.05507	1.2
145.04977	4.0
146.06010	3.0
147.04401	3.7
163.06032	1.6
175.14789	1.3
177.05464	1.4
177.16415	13.4
182.04552	1.5
188.03648	1.4
195.17497	2.3
201.63312	1.1
203.07535	1.6
213.18494	5.9
232.08350	2.5
233.09229	1.8
239.11812	1.3
241.09856	1.5
243.10181	4.6
246.10008	2.2
255.07755	1.8
267.11292	1.4
269.09274	3.3
273.03931	1.6
280.20486	1.2
297.08881	2.4
313.11859	4.2
315.09781	4.6
331.12970	3.0
333.10791	1.8
339.09573	1.3
357.10498	1.3
375.11841	10.5
388.05850	1.3
393.14902	3.6
393.24762	100.0
394.24802	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.7
57.03444	4.6
57.07084	32.3
67.05180	0.8
67.05511	10.1
69.07079	6.4
69.34991	3.5
71.08642	22.6
79.05490	0.8
81.07070	14.3
83.08640	10.1
85.09733	0.8
85.10201	11.2
89.06046	0.9
93.07053	0.5
95.08627	19.7
97.10184	5.0
98.20746	1.1
98.98482	55.6
99.11742	1.0
105.13422	0.5
109.10180	10.5
111.11713	1.5
116.76290	0.7
116.99487	1.5
123.11723	4.8
125.00040	0.8
125.13291	1.1
131.12674	0.6
133.08621	0.6
137.13251	2.5
140.01088	1.2
151.14819	1.4
155.01064	100.0
165.16457	0.7
195.12367	1.5
196.03796	1.4
239.23741	10.9
242.65956	0.5
312.02527	0.6
376.26160	0.6
393.24191	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	393.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05513	4.4
57.03446	0.9
58.99595	19.9
67.05519	6.6
69.07081	4.3
69.32345	6.0
70.06614	0.9
71.04996	3.3
73.01149	1.7
76.02242	8.6
76.04018	3.5
79.05504	4.1
81.07066	16.2
83.04973	1.2
83.08625	4.8
84.08157	0.8
85.02899	1.3
85.06564	3.6
85.64643	0.7
86.09750	1.0
86.99065	14.0
87.02701	1.0
88.02254	3.4
89.81123	0.7
91.05493	5.2
93.07063	5.9
95.08619	18.6
97.06543	5.5
97.10156	2.2
98.21447	1.5
99.08122	1.8
105.07049	6.1
107.08609	2.1
109.10178	1.8
111.08106	1.8
113.04247	0.8
115.07502	0.7
116.01692	62.3
119.08611	8.8
121.10162	2.7
123.08092	2.0
130.05023	1.3
133.10149	6.1
135.11739	4.6
137.13258	4.1
144.01163	25.6
151.14819	0.9
161.13274	17.6
162.02223	100.0
179.04922	1.3
179.14337	14.0
180.03142	0.8
197.15384	16.8
215.16405	5.3
229.12762	1.1
255.14183	1.5
272.16830	3.0
273.15158	4.3
282.15063	0.8
300.16519	1.2
340.15866	3.7
358.16843	7.4
362.11636	0.9
376.17935	12.8
393.12085	0.9
393.20605	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	393.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07127	0.4
55.05522	0.7
58.06597	0.4
58.96274	0.4
67.05496	0.8
68.05007	1.6
69.03416	0.6
69.07059	0.6
70.06591	2.6
70.36619	1.5
72.08134	0.9
79.05492	0.7
81.03410	0.7
81.07053	1.1
84.08139	0.9
85.02862	1.5
85.06553	0.7
86.09698	0.5
91.05489	0.9
93.07030	1.0
95.08595	1.9
107.08591	1.1
109.10120	1.2
116.07106	2.9
117.07452	1.2
120.08115	0.5
121.10118	1.2
123.04445	0.8
123.11624	0.5
124.04954	0.5
129.10278	0.7
130.05000	1.0
130.06406	0.4
137.13205	0.6
140.03404	0.9
147.04398	0.5
149.04608	0.5
166.07245	0.9
172.06033	1.0
177.16429	1.6
182.70677	0.5
201.06435	1.9
202.07208	1.8
202.39388	0.5
203.08049	1.8
204.08835	6.8
213.18446	0.6
215.08060	1.2
216.08829	100.0
217.09540	3.4
218.10378	5.4
225.06502	10.1
226.07242	3.4
227.08032	1.6
228.08780	1.3
229.09584	1.2
230.10382	9.6
240.08824	54.8
241.09520	2.2
242.10374	0.8
246.09875	6.9
258.09897	2.8
268.08359	5.5
272.11417	4.0
283.09476	1.6
300.10938	53.7
301.11276	0.9
311.08963	1.0
312.86270	0.5
315.12112	1.0
333.12930	2.3
343.11627	2.5
361.12595	5.4
364.09766	0.5
375.14166	5.4
375.22839	0.5
393.15228	37.9
394.15567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07070	5.7
69.97537	8.5
69.97921	9.7
79.05495	7.7
81.07063	100.0
95.08596	17.1
98.21511	4.9
105.07030	19.1
115.05419	5.6
119.04980	4.2
133.06491	13.6
137.13261	35.0
161.05989	50.1
167.07039	11.1
175.17433	4.5
193.08633	35.6
210.08876	6.5
211.09619	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	393.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77565	9.7
55.15265	8.9
61.09211	8.6
69.75656	8.4
70.19198	17.2
70.19566	30.6
82.10427	9.2
94.86054	10.1
98.21103	23.0
203.43185	9.1
221.10194	10.0
393.05707	100.0
397.83026	11.8
419.07828	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	392.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.05511	2.9
57.03434	2.7
57.07077	6.3
58.06609	1.6
61.02933	4.3
67.05521	4.9
69.03440	6.5
69.07082	5.9
70.06600	2.1
71.04996	3.0
71.08612	0.9
71.53319	1.0
73.02923	1.8
78.21857	0.9
79.05502	29.9
80.79015	0.8
81.03415	2.7
81.07073	6.0
83.04994	10.0
84.08157	1.0
85.02916	31.8
86.09711	7.5
91.03938	1.2
91.05507	6.1
91.56342	0.8
93.07052	33.3
95.04980	0.9
95.08616	4.2
97.02897	8.0
97.06537	6.0
99.04464	1.1
103.05499	0.8
105.07028	2.8
106.53313	0.8
107.04955	5.2
107.08610	12.6
109.02882	3.2
117.07061	1.2
119.08630	0.9
120.08112	7.9
121.06516	2.5
121.10143	1.8
125.05172	1.6
125.06004	17.5
127.03924	4.4
131.08612	1.7
133.10149	9.8
135.11708	100.0
139.07553	9.3
143.10669	1.4
145.04953	5.0
149.02365	3.5
149.13287	9.8
151.11143	1.3
153.09109	2.3
153.12715	5.1
159.11726	2.6
161.24307	0.9
162.04680	0.8
177.12767	20.4
180.08676	1.7
195.13828	96.4
196.14186	1.5
213.14890	3.1
233.16463	2.3
261.15924	2.1
392.17212	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.05511	2.9
57.03434	2.7
57.07077	6.3
58.06609	1.6
61.02933	4.3
67.05521	4.9
69.03440	6.5
69.07082	5.9
70.06600	2.1
71.04996	3.0
71.08612	0.9
71.53319	1.0
73.02923	1.8
78.21857	0.9
79.05502	29.9
80.79015	0.8
81.03415	2.7
81.07073	6.0
83.04994	10.0
84.08157	1.0
85.02916	31.8
86.09711	7.5
91.03938	1.2
91.05507	6.1
91.56342	0.8
93.07052	33.3
95.04980	0.9
95.08616	4.2
97.02897	8.0
97.06537	6.0
99.04464	1.1
103.05499	0.8
105.07028	2.8
106.53313	0.8
107.04955	5.2
107.08610	12.6
109.02882	3.2
117.07061	1.2
119.08630	0.9
120.08112	7.9
121.06516	2.5
121.10143	1.8
125.05172	1.6
125.06004	17.5
127.03924	4.4
131.08612	1.7
133.10149	9.8
135.11708	100.0
139.07553	9.3
143.10669	1.4
145.04953	5.0
149.02365	3.5
149.13287	9.8
151.11143	1.3
153.09109	2.3
153.12715	5.1
159.11726	2.6
161.24307	0.9
162.04680	0.8
177.12767	20.4
180.08676	1.7
195.13828	96.4
196.14186	1.5
213.14890	3.1
233.16463	2.3
261.15924	2.1
392.17212	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.3
56.96540	0.2
58.06590	0.8
60.04529	0.2
61.94174	0.2
67.04256	0.7
67.05498	0.3
67.22116	0.2
69.03430	1.1
69.17392	1.8
70.06564	0.5
70.61805	0.2
71.05003	0.3
81.03414	0.4
81.07093	0.2
82.06589	13.8
83.04996	0.4
84.04504	0.4
84.08134	0.7
84.57620	0.2
85.02911	2.1
91.05514	0.2
95.04991	0.2
97.02941	0.4
98.21510	0.5
100.07624	4.5
107.04985	0.3
109.02845	0.3
110.07152	0.2
116.07050	0.4
127.03943	0.6
128.07091	100.0
129.05432	0.2
129.07388	0.6
141.00098	0.3
141.05473	0.9
142.05836	0.4
142.08649	1.4
145.05034	0.3
149.02399	1.1
150.02730	0.4
152.48860	0.2
153.05484	1.8
163.03932	0.6
168.06572	0.3
177.05544	0.3
181.04955	1.3
182.05396	0.9
188.09198	3.6
195.06590	0.8
210.00142	0.3
212.12865	0.2
213.07649	0.7
230.04900	0.3
230.10315	0.8
240.29419	0.2
245.09650	0.4
286.12744	0.3
296.11401	0.8
314.12338	1.8
332.13428	10.6
346.18707	0.4
392.19229	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	392.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
55.05505	4.1
57.07087	1.5
58.06594	2.0
61.02916	0.9
67.05510	2.5
69.03397	1.0
69.07076	6.8
70.06599	42.1
70.80011	2.3
72.08179	1.3
79.05500	2.2
81.03443	1.2
81.07062	12.6
83.05002	5.6
84.04487	0.9
84.08155	1.5
85.02911	7.4
86.09719	5.9
90.17686	0.9
90.55568	0.8
91.05493	2.0
93.07046	6.9
95.04901	0.9
95.08627	8.2
95.82553	1.1
97.06549	5.4
98.09717	1.0
99.04453	1.2
101.06013	2.4
105.07043	2.2
107.08598	9.2
109.10143	1.3
111.08111	2.0
115.05404	0.9
115.07583	8.7
116.07103	65.1
119.08565	1.9
121.06512	3.5
121.10132	4.8
123.04453	11.7
124.84610	1.0
127.03944	1.4
133.10149	4.9
135.08054	1.8
135.11705	35.2
135.12735	2.1
135.39871	1.1
137.02348	3.9
137.05966	1.0
139.07552	2.7
145.04990	1.4
147.04456	1.3
149.02428	1.4
149.13257	3.2
150.02663	1.4
151.63818	1.0
159.11723	4.3
163.03915	2.7
169.10155	0.9
173.06018	1.4
174.13560	1.6
177.12759	20.0
177.16328	1.2
180.10269	1.2
195.13824	100.0
213.09177	1.2
213.14886	32.3
214.09985	1.9
215.10771	1.5
221.08015	1.2
233.11600	1.6
239.10713	1.7
257.11786	2.2
258.12527	1.7
261.12857	1.4
288.15945	1.1
318.17154	1.2
329.17474	1.1
347.18570	28.2
392.17111	1.5
392.18750	1.2
392.24429	22.6
392.29382	0.9
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
53.03939	1.5
55.17212	0.6
58.06602	3.2
68.05029	0.8
69.03422	2.9
69.22673	5.7
70.06596	2.0
71.04992	0.9
72.08161	0.7
78.03470	4.3
79.04260	0.6
79.05494	3.3
80.05030	2.4
81.03443	5.1
81.07056	1.3
83.04983	0.6
84.08131	1.4
85.02908	2.4
86.09747	0.8
91.05475	1.4
93.07052	1.3
96.04518	1.7
96.33981	0.8
97.02887	1.7
97.06542	0.7
98.06065	0.7
99.04461	1.4
103.40582	0.6
105.07035	1.3
106.02922	15.9
107.04981	11.1
107.08549	0.7
109.02895	5.0
110.03670	4.4
110.07163	0.7
121.02776	0.8
121.06528	1.2
121.10104	0.9
124.03963	95.7
125.05999	100.0
127.03917	2.8
128.07094	3.0
131.04874	0.7
133.06500	1.0
135.08014	1.0
144.06569	0.8
145.10196	0.7
149.02403	2.4
149.05928	0.8
150.02692	1.1
151.03915	2.1
153.12856	0.7
180.43967	0.7
181.04927	1.0
182.05200	0.6
193.79041	0.6
210.82506	0.6
226.07083	0.8
230.80379	0.8
250.07144	15.2
268.08179	91.4
269.08701	1.1
330.29980	0.7
347.10220	0.8
355.66006	0.8
392.12607	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	391.2482
Annotation	Latanoprost acid
Peak:m/z	Relative Intensity
55.01871	2.5
55.05510	5.1
57.03443	2.4
57.07082	2.7
67.05518	12.7
69.03432	2.0
69.07066	2.6
70.71494	4.4
71.08632	2.6
73.02884	1.5
79.05502	36.1
80.78143	1.4
81.03411	2.9
81.07072	15.3
83.04970	3.4
83.08630	2.4
91.05484	28.1
93.07065	16.6
95.04964	3.3
95.08618	10.7
97.02914	2.2
97.06544	12.0
99.04527	1.7
105.07037	41.7
107.04964	2.7
107.08603	100.0
109.06498	4.2
109.10164	6.1
111.04441	1.8
111.08018	1.5
117.07047	9.3
119.06039	1.9
119.08591	19.4
121.06519	2.4
121.10146	11.0
121.32621	1.4
123.08091	1.5
128.06255	2.6
128.84547	1.4
129.07024	6.6
130.07793	5.6
130.26973	1.5
131.04961	2.2
131.08580	46.3
133.06520	2.2
133.10152	14.2
135.08075	5.9
135.11728	5.6
137.09673	1.8
142.07771	3.1
143.08577	15.0
144.09421	1.6
145.06529	3.5
145.10138	62.3
147.08080	3.3
147.11687	24.2
149.02348	19.8
149.06006	2.8
149.09682	7.2
149.13272	2.8
155.08574	6.9
157.10143	11.7
158.37407	1.5
159.08089	4.8
159.11714	19.3
161.09593	9.6
161.13289	2.9
163.03926	1.8
163.07542	2.4
163.11177	3.8
163.14799	1.6
165.12781	4.7
169.10152	5.7
171.08156	2.5
171.11711	6.6
173.09628	37.7
173.13284	5.2
175.11160	10.2
177.12791	6.8
181.10204	2.6
183.11676	3.7
185.09651	2.5
185.13191	2.2
187.11198	8.7
187.14912	2.7
189.09145	2.3
189.12779	4.1
191.10693	26.2
191.14326	3.9
195.11751	2.9
197.13301	4.0
199.14839	2.1
201.12744	3.4
203.10677	2.0
209.13388	2.1
209.15405	3.3
211.11197	1.8
215.07050	3.8
215.10695	2.7
225.16359	2.6
229.12292	4.5
243.13683	2.1
247.13278	1.6
253.19518	27.0
259.09741	5.7
271.20590	26.6
277.19485	1.7
289.21631	6.0
291.21088	4.6
295.20483	3.2
309.22113	4.7
319.20618	9.5
335.12857	2.0
337.21634	51.5
355.22678	62.7
373.23792	33.3
391.14523	4.0
391.19223	2.9
391.25140	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	391.248
Annotation	Parvisporin
Peak:m/z	Relative Intensity
54.92729	2.6
55.05518	3.8
57.03434	2.7
57.07082	4.4
60.91092	2.9
65.31094	2.4
65.91015	2.3
67.05506	9.9
69.03419	4.5
69.07063	4.6
69.99821	6.0
70.00201	5.3
71.04985	3.3
71.08643	5.5
73.30205	2.7
76.92786	3.2
79.05501	34.9
81.07057	19.6
85.02913	5.7
85.06614	3.6
91.05482	20.5
93.07044	17.4
95.08652	13.2
97.02905	4.6
97.06565	21.7
98.20887	4.0
105.04525	3.5
105.07043	37.0
107.08610	100.0
109.06542	2.8
109.10188	5.7
117.07034	10.7
119.08615	14.8
120.88608	2.7
121.06583	3.6
121.10165	10.0
122.25113	2.5
123.08116	3.5
125.09633	7.3
127.03947	3.5
128.06291	3.4
129.07042	4.6
130.07776	5.3
131.08582	37.5
133.06499	4.4
133.10139	16.1
135.08057	5.2
135.11700	5.3
141.06969	4.5
143.08568	15.0
143.10690	9.9
145.06432	3.5
145.10143	51.2
145.11176	5.0
147.11725	17.9
149.02350	28.9
149.09651	7.4
149.13272	5.4
155.08502	5.1
157.10152	10.7
158.07298	3.9
159.11699	19.6
161.02370	5.1
161.09636	7.2
161.13248	5.1
162.12810	4.4
163.03975	8.5
163.11282	4.3
165.12781	5.1
169.10132	5.2
171.11682	6.4
173.02316	4.0
173.09642	34.7
173.13205	5.2
175.11205	10.5
177.12729	7.7
179.08601	3.0
183.11739	4.0
187.11249	6.7
189.12778	4.8
191.10704	23.6
191.14346	4.7
195.11635	4.3
209.15364	4.9
211.14854	3.1
211.64357	2.7
215.07024	4.4
215.10577	5.6
229.12369	3.1
233.16527	3.3
241.08812	4.5
253.19527	25.1
259.09705	18.1
271.20639	19.5
277.15460	3.6
277.19559	3.4
284.95648	2.9
289.21918	3.0
291.21048	5.7
319.20587	8.8
337.21695	54.3
355.22757	61.1
359.12653	3.1
373.23782	24.2
391.14050	5.0
391.25647	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	391.1755
Annotation	Stilbostemin B 3'-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03964	9.6
54.75118	2.0
55.01868	2.3
55.05506	6.9
57.02537	1.6
57.07065	4.4
65.03957	2.1
67.05508	6.3
69.03439	18.9
69.07061	3.7
69.55590	12.5
71.04996	5.6
73.02924	8.4
79.05492	12.3
81.03420	20.7
81.07055	8.1
83.04993	36.7
85.02904	6.3
87.04467	4.2
91.05487	22.7
93.07056	19.0
95.04970	10.1
95.08617	4.3
97.02898	52.8
97.06551	5.9
99.04472	4.9
105.07032	13.8
107.08606	50.7
109.02908	22.1
109.06516	9.0
111.04481	2.9
113.05981	2.5
115.05441	4.3
117.07024	9.6
119.06045	2.2
119.08604	19.5
121.06520	23.7
121.10142	5.1
123.04446	2.5
123.08046	3.3
125.05952	2.2
125.09669	2.4
127.03930	73.5
127.07576	3.1
128.06306	2.8
129.07019	6.1
130.07832	1.8
131.08577	17.5
133.06505	3.4
133.10150	10.4
135.08066	100.0
136.76308	2.0
137.06012	3.3
139.03847	2.0
143.08572	5.7
144.09375	7.1
145.06483	6.5
145.10132	8.5
146.07251	5.0
147.04378	2.0
147.08110	10.2
149.02357	11.2
149.06017	3.8
149.09612	8.9
153.09137	2.0
157.10152	2.5
158.10901	9.5
159.08084	13.2
159.11707	31.2
161.09647	10.5
163.03833	2.7
163.07564	35.0
163.11191	3.6
168.09430	4.4
170.10954	2.3
171.08067	4.2
172.08839	9.3
173.06026	5.3
173.09656	13.9
173.13278	30.7
175.07541	4.8
177.09074	2.6
183.11728	6.7
185.13324	3.3
186.10464	17.9
187.07552	2.7
187.11197	62.5
189.09059	2.0
189.12842	4.0
191.07036	43.4
191.14381	2.0
193.10226	3.6
196.08887	4.5
201.12776	54.0
203.14299	5.9
205.12273	20.2
211.11142	11.0
214.09850	3.1
219.13828	37.1
229.12262	87.7
234.22261	1.9
237.61731	2.6
247.13318	64.4
254.99382	1.9
259.09799	2.9
304.92914	1.9
337.14352	2.2
355.15561	5.8
373.16583	11.0
389.42462	2.2
391.17709	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	390.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44588	0.6
53.03939	0.9
55.01865	0.7
55.05503	0.9
57.03425	0.7
57.07075	0.6
61.02930	1.2
67.05497	2.4
69.03431	1.5
69.07072	3.2
69.07370	0.5
70.54858	1.1
70.55191	1.0
71.04991	1.5
79.05497	2.4
81.03421	1.2
81.07063	8.6
83.08620	1.6
85.02914	11.1
86.09688	0.6
91.05479	3.7
93.07051	7.5
95.08617	15.8
97.02892	2.3
97.06502	0.8
99.04459	0.7
99.08098	4.5
105.07046	10.2
107.08607	9.5
109.02891	1.0
109.06553	0.6
109.10186	4.8
109.35674	0.6
110.60430	0.5
113.09631	2.0
113.70937	0.5
119.08595	45.4
121.10144	2.3
123.08125	0.9
123.11713	2.6
127.03934	1.4
131.08545	0.7
133.10147	65.0
134.10522	0.6
134.11583	0.5
135.10701	1.1
135.11700	15.7
137.09653	2.9
145.04945	1.3
145.10048	0.6
146.10957	0.6
147.11711	2.8
151.03976	0.6
151.14842	0.8
160.12479	1.0
167.03444	0.9
167.07123	0.9
168.07481	0.6
175.14842	100.0
175.52518	0.7
176.15144	0.8
177.73947	0.5
186.25626	0.6
193.15906	15.8
211.16953	28.7
245.98723	0.6
390.29218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.9
54.65176	3.4
55.01877	12.5
55.05507	8.1
57.03439	5.3
57.07071	6.7
61.02924	3.3
61.34955	2.9
67.05504	12.3
69.03432	23.6
69.07089	6.9
70.06593	8.2
71.05003	26.7
71.08627	9.1
73.02903	3.8
79.05505	19.0
81.03417	18.7
81.07060	11.5
83.05004	8.9
83.08602	6.5
85.02911	47.0
85.06551	15.0
87.00835	21.6
91.05487	6.4
93.07073	10.2
95.04967	20.0
95.08603	12.8
97.02889	18.7
97.06551	30.6
97.10187	8.1
99.04456	9.6
105.01884	10.1
105.07040	14.3
107.04958	6.2
107.08605	51.6
109.02892	14.4
109.06528	3.4
109.10157	7.3
119.08588	6.9
121.06517	4.4
121.10175	5.4
123.04503	3.4
123.08081	4.7
125.09634	83.2
127.03912	29.3
129.07045	4.1
131.08614	6.9
131.76025	3.0
133.10172	6.0
135.08087	3.6
137.05997	8.7
137.09642	8.0
143.10689	100.0
145.04984	12.8
145.10141	5.1
147.11671	4.9
149.02356	61.4
151.07414	4.3
159.02905	16.4
159.11707	6.4
162.12801	6.4
163.03914	13.5
167.03409	8.2
167.10732	22.8
173.02342	13.0
173.09610	7.5
185.11830	4.0
191.10724	7.7
192.85667	3.0
209.11665	4.6
215.07094	8.0
233.11752	9.0
233.16539	3.6
259.09671	24.2
260.12790	3.6
277.15500	8.7
349.07425	4.0
373.23849	4.2
391.13391	15.0
391.26144	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	0.9
67.05516	2.3
69.03440	2.0
69.07062	2.7
69.33514	7.9
71.05003	1.9
79.05501	2.5
81.07064	8.5
85.02920	8.7
86.19386	1.0
91.05494	4.0
93.07066	6.3
95.08615	14.2
97.02893	2.0
97.06548	1.7
98.21429	2.3
99.08127	5.0
105.07015	7.4
107.08591	8.7
109.10160	2.9
113.09653	2.9
119.08592	50.8
121.10172	1.2
123.11710	3.7
127.03937	1.8
131.25897	1.1
133.10143	83.8
134.53764	1.0
135.11700	20.4
137.09596	1.4
140.79329	1.0
145.04980	2.8
147.11682	2.8
155.73351	0.9
175.14838	100.0
176.15094	1.3
181.27167	1.0
193.15886	19.9
211.16953	51.0
234.37552	0.9
280.22806	1.0
283.57513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
57.03419	1.0
61.02932	1.2
67.05537	6.3
69.03437	2.7
69.07053	1.9
70.06591	3.4
71.07420	2.0
73.02894	1.2
79.05486	1.5
81.03391	1.1
81.07078	6.0
85.02907	6.6
86.03288	1.2
86.09714	1.8
91.05503	5.2
93.07056	9.0
94.07397	1.1
95.04958	3.2
95.08618	95.5
96.08952	2.5
97.02917	4.4
99.04500	1.6
105.07017	5.2
107.08594	6.0
109.06547	8.9
109.10168	59.1
110.10423	1.1
119.04945	2.3
119.08598	3.1
121.06496	2.0
121.10182	6.0
122.02753	1.5
122.10530	1.5
129.10246	1.6
130.30740	1.2
131.08600	2.3
132.08923	2.6
133.06450	1.3
133.10118	3.0
134.10474	1.3
135.08044	2.1
137.05965	8.4
145.10141	2.4
146.10493	1.3
147.11691	11.4
150.75873	1.3
155.07062	1.5
164.15163	1.3
173.13213	4.3
174.13591	6.1
175.11194	11.3
191.14366	2.6
192.14699	6.9
193.12263	34.4
209.15419	1.7
210.15714	2.4
211.13319	100.0
252.15895	1.5
296.94586	1.1
401.83881	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01859	0.6
55.05501	2.1
57.03425	0.6
61.02906	0.6
67.05495	2.1
69.03448	2.7
69.07075	3.4
70.06593	1.2
71.04973	1.2
71.52502	1.0
79.05490	1.8
81.03428	1.0
81.07065	8.6
83.04996	0.7
83.08624	1.1
84.08157	0.8
85.02435	0.9
85.02917	9.3
86.09711	1.2
91.05485	3.1
93.07063	5.3
95.08619	13.8
97.02882	1.7
97.06540	0.8
99.08107	4.3
105.07043	9.7
107.08605	13.7
109.02900	1.3
109.06521	1.2
109.10172	5.0
113.09660	2.0
114.09187	0.7
119.08595	41.5
121.10136	2.6
123.08060	1.9
123.11741	3.5
127.03922	1.6
131.04913	0.7
131.08629	0.9
133.10147	54.4
135.11707	18.7
137.09618	1.6
140.62329	0.6
145.04961	0.8
145.10139	1.6
147.11676	3.5
149.02304	1.0
162.09198	0.6
175.14844	100.0
176.15141	0.9
180.08649	0.7
192.14554	0.7
193.15915	16.1
193.17686	0.8
199.73207	0.6
211.16968	26.3
231.13271	0.7
279.52643	0.6
390.15305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52723	1.0
53.03934	2.4
55.01867	4.8
57.03431	2.3
61.02927	1.6
69.03426	4.1
69.91253	5.1
79.03983	1.2
79.05507	7.1
81.03411	1.8
81.07072	1.5
84.08145	1.8
84.64613	1.2
85.02918	16.8
86.09697	1.5
91.05487	7.0
95.05008	1.5
96.08106	1.2
97.02892	3.9
103.05525	7.7
105.07046	59.0
106.07389	1.2
107.04959	2.7
109.02917	2.3
109.06511	1.6
115.05469	9.8
118.04150	4.2
119.04982	5.7
121.06536	1.6
121.10187	3.0
122.10487	2.2
124.07586	8.9
127.03954	2.3
131.04950	2.9
133.06511	48.5
141.05385	1.8
143.06035	3.7
145.04948	3.0
147.04410	1.5
149.06006	3.2
151.07553	3.8
153.05463	1.7
158.49915	1.1
161.06003	100.0
167.07068	3.1
167.22581	1.2
168.07881	2.3
170.91794	1.1
180.08704	2.3
187.42764	1.5
193.08632	74.3
196.07318	1.6
198.56100	1.2
211.09688	13.7
234.30080	1.1
292.16980	1.3
293.09174	1.9
390.18161	6.1
391.15701	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10895	0.6
55.86934	0.6
58.06606	48.3
61.02911	0.8
67.05521	0.8
69.03410	2.5
69.07075	0.8
69.99747	1.3
70.00153	2.5
71.04967	1.8
72.08130	0.7
81.03381	0.8
81.07054	1.1
82.07401	0.8
83.05001	0.8
85.02520	0.6
85.02914	6.6
85.06544	1.4
86.03237	1.5
87.55583	0.7
91.05487	1.2
93.07051	2.2
94.07345	0.8
95.08594	1.5
97.02870	2.2
97.06535	0.9
99.04469	5.4
99.15691	0.6
100.04807	0.9
105.07079	3.2
106.07377	1.7
107.08608	3.6
108.08922	2.0
109.06528	0.8
109.10159	1.9
110.10487	1.7
115.05440	1.1
119.08556	1.5
120.08938	1.1
121.06497	1.5
121.10138	2.1
122.10480	2.9
123.08068	0.9
123.11720	0.8
127.03925	1.3
128.06207	2.9
131.08609	3.6
132.08858	1.7
133.10143	19.2
134.10474	17.1
135.08075	1.1
139.05464	0.9
141.07019	1.6
143.08517	0.8
144.05640	0.7
145.04961	0.9
145.10150	0.7
146.10440	1.1
147.11739	0.8
148.12019	1.0
149.13242	0.9
150.09938	0.7
150.13594	1.3
153.06943	1.8
157.06529	1.0
159.08041	1.9
159.11394	0.9
161.09587	0.8
162.13568	0.9
163.14830	2.0
164.15173	2.9
165.07085	1.1
166.13123	0.8
167.04936	2.3
169.06435	1.5
170.07257	0.9
171.08067	1.7
172.05177	1.0
173.13260	3.2
174.13602	7.8
177.09106	1.6
181.06467	4.4
184.05219	3.8
184.14114	0.7
185.09579	1.8
186.06802	0.7
187.07516	2.1
191.14334	4.7
192.14671	9.7
195.05536	0.7
197.05997	2.0
198.06917	1.0
199.07549	2.7
208.05188	1.0
209.05991	5.6
209.15453	3.4
210.15697	5.9
211.03978	1.3
211.07544	2.7
212.04645	4.9
213.05527	4.5
215.07066	4.8
216.04126	2.8
223.07472	1.5
225.05452	2.9
225.10310	0.8
226.06238	7.0
227.03438	1.1
227.06967	1.0
227.16522	2.3
228.04173	3.2
228.16795	4.8
229.04939	1.8
236.04616	0.9
237.05501	6.4
238.06233	1.7
239.07040	2.3
241.08594	5.8
242.05879	3.9
243.06541	17.6
251.07053	1.2
252.04227	1.1
253.04996	13.8
254.05763	48.0
257.08096	2.6
264.04306	0.6
267.06583	3.2
269.08105	100.0
270.05215	1.6
270.08432	2.0
271.06091	5.7
280.03662	2.0
285.07574	13.3
295.06024	6.9
299.09100	3.6
313.07068	1.3
313.11826	1.2
327.08829	1.3
330.07339	23.9
345.09729	82.4
346.10031	1.6
359.12610	1.4
390.15494	68.3
391.15549	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	390.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01888	0.5
57.03429	0.9
58.06606	9.0
69.03435	10.2
69.66721	2.5
70.06596	1.5
71.05009	0.8
72.08163	1.2
73.02915	1.0
74.06083	0.9
78.03032	1.0
78.03457	12.3
80.05015	1.7
81.03423	16.9
84.04492	0.9
84.08145	2.3
85.02914	9.8
86.09725	2.1
87.04465	1.5
96.04498	3.0
97.02899	5.0
98.97617	0.6
99.04482	2.5
105.05494	0.6
106.02924	55.8
109.02879	10.7
117.79366	0.5
123.06509	0.5
124.03963	100.0
125.04309	0.9
127.03934	6.4
141.05417	0.6
161.06007	0.6
166.04956	1.2
177.08754	0.7
187.14462	0.7
193.08583	0.6
204.64796	0.5
215.13988	0.6
228.08727	1.0
232.06097	4.2
237.02673	0.7
250.07115	21.0
268.08185	57.1
269.08560	0.8
274.14594	0.5
390.14255	12.1
401.00082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
55.01875	1.4
55.05491	0.5
55.46087	0.5
57.03431	1.4
58.06589	2.0
61.02944	0.6
65.76012	0.5
69.03438	3.9
69.07101	0.7
69.38832	0.5
70.06598	3.2
71.04991	0.7
71.51743	1.0
72.08152	1.7
73.02931	1.2
79.05486	3.7
81.03426	3.9
81.07070	1.2
82.06601	0.5
83.04983	0.5
84.04516	3.7
84.08122	0.5
85.02914	14.5
86.09709	1.4
87.00829	3.6
91.05488	1.5
91.25025	0.6
93.07032	1.7
95.04974	1.4
97.02909	5.2
99.04468	2.0
102.05524	0.9
103.03957	0.6
105.01871	4.2
105.07063	1.8
107.04963	10.8
109.02906	2.9
109.06523	1.3
110.03680	3.6
110.07133	0.6
119.03468	1.0
119.08570	1.1
120.08126	1.1
121.06537	3.7
123.04493	0.7
124.07632	0.9
125.06006	100.0
126.06394	0.8
127.03926	9.7
129.01866	1.3
130.04996	0.9
133.06490	1.0
133.10146	1.1
135.10782	0.6
137.05989	1.5
141.05466	0.6
145.04999	6.4
147.02924	0.7
147.08040	1.8
148.06078	1.2
149.05995	8.3
159.02942	2.7
161.05977	3.0
163.03896	0.6
163.07562	0.9
165.09140	2.3
167.07048	6.6
177.03972	0.6
177.05489	0.8
189.03986	2.0
191.07059	2.7
192.14572	0.6
193.08672	1.5
207.10220	1.0
215.07091	1.1
231.05031	2.5
233.08171	2.3
354.15521	0.6
372.16730	2.9
390.17920	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	389.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84099	4.1
55.05513	7.8
58.28813	4.2
66.64192	4.3
67.05511	11.1
68.21822	4.0
69.07076	32.6
69.12376	3.8
69.57500	16.9
69.57900	8.6
79.05516	13.8
81.07066	100.0
83.08640	4.1
91.05501	5.1
93.07047	11.7
95.08608	26.3
103.05464	7.2
105.07030	20.3
107.04990	4.3
107.08627	4.9
109.10179	9.2
122.53151	4.3
123.11742	4.8
133.06512	15.1
137.13278	10.9
139.47931	4.2
144.05710	4.4
145.06595	7.2
149.13283	5.1
153.07018	4.9
161.06020	46.2
165.43030	4.7
167.07065	39.5
167.08453	6.7
169.10089	5.7
187.07515	5.5
193.08650	18.5
197.09662	5.9
201.08966	5.1
205.08638	29.4
217.08690	9.9
219.10181	14.5
231.10262	4.8
233.11823	11.6
241.12274	5.4
245.11914	6.2
247.13261	4.4
259.13235	5.2
273.14865	27.7
297.18506	10.7
329.21097	26.1
331.49042	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	389.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01871	2.0
55.05516	3.1
57.03428	4.4
57.07074	1.7
58.76933	1.3
60.91002	1.2
61.02927	6.7
67.05500	6.5
69.03436	13.8
69.07071	7.1
69.80347	1.1
70.57098	3.5
71.04986	6.4
73.02892	1.3
79.05505	6.6
81.03434	6.2
81.07063	22.1
83.05005	1.8
83.08652	3.4
85.02914	47.4
85.06562	3.6
87.04469	4.5
91.03949	1.9
91.05492	13.6
93.07054	21.9
95.04955	2.6
95.08616	26.5
97.02892	12.6
97.06543	4.4
99.04469	3.5
99.08118	2.1
105.07047	32.1
106.07363	1.4
107.08604	22.1
109.02924	2.8
109.06511	2.7
109.10165	4.3
111.08094	5.1
115.07591	7.3
117.07008	8.5
119.08602	23.4
121.06525	2.6
121.10144	13.6
123.08056	1.4
123.11732	11.7
127.03954	8.2
129.07010	1.4
131.08574	36.7
133.10133	30.0
135.08037	7.8
135.11693	13.6
139.07568	1.4
143.08620	6.4
144.09377	1.7
145.04984	9.8
145.10135	16.3
147.11702	7.4
149.09706	1.7
149.13318	4.3
151.11163	2.2
151.35585	1.4
153.09210	1.8
155.05760	1.2
158.10890	13.0
161.13283	15.9
162.25832	1.2
163.11191	1.5
163.14838	21.3
173.13271	100.0
175.14842	1.7
179.14250	1.3
191.14316	95.1
209.15382	17.9
227.16464	18.6
277.40195	1.2
363.94992	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
54.58997	1.3
55.05501	3.1
57.03437	4.7
61.02929	3.7
67.05499	3.4
69.03451	7.7
69.07054	3.7
69.39781	8.8
71.04996	6.0
72.08162	5.5
74.06106	1.9
79.05502	4.1
81.03422	5.9
81.07059	11.9
83.05003	2.8
83.08630	2.1
85.02912	35.2
85.06546	2.7
85.57037	1.4
86.09718	7.2
89.06031	2.1
91.05496	7.1
93.07040	7.7
95.04950	2.8
95.08610	8.5
97.02924	10.1
97.06555	7.8
98.20818	3.0
99.04477	2.4
102.41884	1.4
103.05544	1.8
105.07039	20.2
107.08606	10.9
109.02895	5.4
109.06523	3.6
109.10146	3.7
111.08102	3.0
117.06983	2.3
119.08595	13.9
121.06504	1.9
121.10158	100.0
123.08099	4.6
123.11714	31.7
124.03983	2.0
124.07602	5.6
125.09695	1.8
127.03938	5.1
129.10292	2.2
131.08586	9.1
133.06503	3.4
133.10141	18.2
135.08083	4.9
135.11708	6.9
137.09631	2.4
139.11214	3.1
141.05487	70.7
145.04993	5.7
145.10187	4.1
147.11711	6.7
149.09673	2.3
149.13324	5.1
151.11304	2.1
153.09143	4.8
158.10983	3.7
161.06006	7.0
163.14865	6.7
170.84627	1.7
173.13278	22.4
189.12677	1.8
191.14334	51.7
193.08667	6.4
209.11632	2.2
209.15388	26.3
227.16431	12.1
229.15573	1.8
269.08698	1.7
345.15366	1.7
389.13138	3.2
389.17932	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2172
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.03946	2.0
55.05523	2.0
57.03440	3.3
58.06603	9.8
61.02922	5.5
65.98578	1.8
67.05505	4.0
68.86566	1.6
69.03432	9.7
69.07075	3.8
69.92229	6.2
69.92635	3.8
71.05006	16.3
79.05510	4.7
81.03418	5.6
81.07063	9.6
83.04990	6.1
84.08121	2.4
85.02910	29.7
85.06532	3.5
87.04475	2.0
91.05490	7.5
93.07048	12.3
95.04978	2.2
95.08604	13.1
96.33501	1.5
97.02894	8.9
97.06534	3.8
98.20869	2.0
99.04465	42.1
99.08100	2.4
105.07044	16.3
107.08608	22.2
109.02879	3.2
109.06508	3.2
109.10150	9.6
111.26570	1.7
112.65531	1.6
113.09650	2.0
117.07043	1.5
118.07915	1.8
119.08581	10.3
121.10152	16.3
123.08070	7.2
123.11725	10.4
125.09690	2.7
127.03913	6.1
131.08585	16.9
133.10146	100.0
135.08073	4.2
135.11687	8.9
136.72670	1.7
137.09642	2.4
139.11211	2.0
145.04951	6.1
145.10144	8.4
147.11708	6.3
149.09605	4.2
149.13275	10.8
151.11183	13.4
158.10925	5.9
161.13263	2.9
163.14821	17.9
165.12766	2.6
169.12209	9.9
173.13286	51.6
183.13817	14.5
191.14337	60.8
209.15385	33.6
227.16423	45.9
237.05481	2.2
243.06642	2.1
253.04950	3.5
254.05849	7.5
269.08090	21.2
285.07678	2.7
295.05798	1.9
330.07394	7.1
345.09692	15.7
390.15512	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	389.2173
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
57.03444	3.4
59.50063	1.8
61.02927	3.8
67.05512	4.4
69.03429	6.6
69.07063	7.8
70.47269	6.2
71.04988	7.5
74.73798	1.8
79.05498	6.5
81.03411	3.2
81.07069	17.1
83.08623	2.1
85.02921	19.2
87.04465	2.5
91.05493	13.2
93.07050	19.0
95.08615	21.4
97.02883	6.1
97.06554	4.2
99.04459	2.5
99.08091	4.0
105.07038	24.4
107.08614	19.5
108.59928	1.7
109.02824	2.4
109.10189	4.2
111.08094	6.4
113.41833	2.0
115.07556	4.7
117.07035	7.7
119.08601	16.7
121.06546	2.3
121.10143	8.9
123.11724	6.8
127.03934	2.7
129.06969	1.8
131.08575	34.0
133.10130	25.7
135.08060	5.7
135.11702	9.6
143.08585	6.9
144.09422	2.0
145.04987	4.1
145.10135	16.7
147.11681	6.4
149.09679	2.2
149.13278	3.8
158.10925	10.5
161.13275	12.2
163.14847	23.2
171.11655	2.4
173.13286	100.0
191.14330	89.5
200.42805	1.8
209.15353	24.7
227.16399	13.3
282.32156	2.0
321.71002	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	389.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.7
57.03442	3.1
58.06611	1.9
61.02925	1.7
64.15551	1.4
66.91908	1.3
67.05515	2.9
69.03440	4.7
69.07090	2.7
70.05016	3.0
70.05416	3.1
70.06605	2.1
71.05000	5.4
72.08161	4.0
73.02930	5.3
75.36329	1.3
79.05507	2.3
81.03445	3.3
81.07072	5.3
85.02911	16.8
85.06559	4.5
86.09721	17.5
91.05505	4.1
93.07076	7.1
95.04976	33.1
95.08618	3.0
97.02926	4.9
97.06564	3.3
99.04469	11.1
99.08143	3.2
105.07072	5.2
107.05008	2.8
107.08616	8.3
109.06557	3.2
109.10162	13.0
115.07587	2.9
119.08634	3.3
121.06558	2.0
121.10208	5.8
123.04426	1.8
123.08070	1.9
123.11706	7.7
125.06019	7.8
125.09662	1.3
127.03954	3.3
127.07519	1.4
131.08597	8.1
133.06555	2.0
133.10155	34.7
133.11093	2.6
135.08102	2.4
137.06032	2.5
139.11238	2.8
140.04671	6.7
141.05486	10.9
143.11893	1.5
145.05067	1.4
145.10188	2.6
147.11761	1.5
149.09653	8.2
149.13290	2.8
151.11226	7.4
153.09102	12.1
155.07054	9.2
161.06023	2.8
163.04048	1.4
164.07120	1.7
167.10724	7.9
169.12323	4.3
171.11339	1.5
173.09750	1.3
173.13278	9.4
181.05002	10.7
183.70445	1.4
191.10645	1.9
191.14348	17.9
209.08186	4.0
209.11826	12.0
209.15375	37.9
210.15767	1.7
227.09183	18.7
227.12698	4.1
227.16592	4.4
247.79272	1.6
308.04999	1.5
332.04092	1.3
348.38736	1.3
389.17981	100.0
390.18030	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.01872	8.1
55.05516	11.5
56.38602	3.8
57.03455	4.5
57.07069	5.2
59.05014	3.4
65.03955	6.7
67.05509	68.2
68.99799	4.2
69.01686	3.9
69.03454	3.3
69.07067	21.2
70.06571	4.5
70.62975	3.8
70.63283	6.6
71.05008	6.1
79.05505	49.9
79.53729	4.3
79.54209	3.2
81.03414	12.1
81.07066	100.0
83.04975	10.6
83.08630	9.5
85.02921	10.8
85.06547	11.5
87.00848	12.7
91.05489	58.9
93.07056	60.1
95.04990	9.4
95.08002	4.4
95.08619	75.1
95.41622	3.8
97.06538	20.5
98.06860	4.3
98.97586	7.1
99.04485	4.3
99.08094	6.1
103.05460	7.1
105.04595	5.1
105.07037	48.0
107.04951	8.7
107.08602	48.6
109.06519	10.1
109.10168	32.5
111.04425	4.8
115.05473	4.8
117.07017	4.9
119.08600	43.2
121.06499	7.7
121.10172	59.1
122.03645	6.0
123.04441	15.4
123.08154	4.7
123.11747	17.9
125.06017	5.0
126.02250	4.9
127.43508	3.5
129.07011	14.4
131.01044	3.8
131.04926	12.0
131.08577	11.9
133.06535	5.1
133.10149	50.7
135.04422	9.9
135.08052	6.0
135.11699	32.7
137.06018	36.4
138.06343	6.1
139.03914	15.0
140.04311	6.6
141.04369	4.2
143.08560	9.7
145.06555	3.8
145.10153	17.4
147.08044	5.1
147.11711	37.4
149.02313	5.9
149.09610	7.0
149.13272	15.9
151.03906	20.0
151.07538	11.7
151.11206	6.4
153.05472	19.2
157.06512	6.9
157.10130	8.0
159.11717	7.3
161.05975	6.7
161.09604	8.4
161.13264	17.1
163.07559	9.2
163.11189	6.3
165.05501	53.7
165.06738	7.0
165.09128	5.4
167.03401	24.9
167.07060	16.8
171.11766	6.6
173.05952	8.4
175.07561	5.9
175.11163	5.2
177.05498	6.8
177.16454	4.6
179.10727	7.2
181.04962	12.0
185.13327	5.6
187.07512	4.1
189.09152	10.2
189.12836	5.3
189.16409	8.4
190.06087	4.5
193.08586	7.1
201.05458	7.5
203.06993	7.7
203.17958	67.8
205.08694	7.7
213.16388	26.5
217.08626	14.5
219.10223	7.6
221.10814	7.9
221.18925	8.3
227.18390	6.1
231.17438	35.7
231.70766	4.1
239.20094	13.0
247.09770	4.8
247.16930	4.5
249.18535	15.9
267.19409	5.9
273.04019	5.8
285.07742	4.7
307.19138	6.9
313.07214	9.3
321.11334	4.7
353.19675	21.9
371.14859	10.9
371.20798	6.9
389.15680	9.2
407.69235	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.4
57.03424	0.3
58.87090	0.3
67.01847	0.3
67.05473	0.4
69.03427	0.7
69.76717	1.4
70.06573	0.4
71.04984	0.3
72.08141	0.3
81.03416	2.2
85.02908	1.5
86.09700	0.6
94.48429	0.3
95.04952	0.7
97.02897	0.9
98.03675	0.7
99.04457	0.5
105.01865	0.4
106.85863	0.4
107.08596	0.8
109.02897	1.6
120.08139	0.6
121.10179	0.8
123.04412	0.6
124.03981	0.5
124.07581	0.5
125.06017	0.4
126.03108	0.9
127.03933	1.3
131.08571	0.8
141.05466	62.4
141.52884	0.3
142.05798	0.5
145.04984	0.5
145.10146	0.4
149.09621	1.4
151.07629	0.3
155.07011	0.4
165.05498	1.0
167.10716	1.2
181.04951	0.4
183.06572	0.6
203.05161	1.8
209.11591	5.1
227.09102	0.8
227.12552	4.1
249.07593	0.5
389.17844	100.0
390.18192	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	389.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74600	0.3
60.66989	0.2
62.32759	0.3
69.03441	0.3
69.51957	1.8
70.06586	0.3
71.05000	0.3
72.08153	0.4
81.03429	0.8
84.82069	0.3
85.02914	1.1
91.05479	0.3
95.05002	0.4
97.02881	0.3
107.08604	0.4
109.02879	0.8
116.62630	0.3
120.08068	0.4
121.10220	0.3
123.04482	0.3
124.07585	0.5
126.03150	0.8
127.03921	0.8
131.08572	0.7
141.05478	26.9
142.05850	0.3
149.09644	0.9
155.07079	0.3
165.05540	0.4
167.10703	0.9
181.05089	0.3
183.99448	0.3
203.05278	2.1
209.11555	5.2
227.09309	0.5
227.12578	3.9
319.72214	0.3
336.11871	0.3
336.16367	0.3
362.45593	0.3
389.17865	100.0
390.18295	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84851	2.6
53.03941	5.0
53.88913	1.9
55.01870	5.3
55.05502	7.1
57.03442	4.7
57.07079	3.0
58.06590	6.7
61.02911	3.9
65.03919	3.5
66.56514	2.3
67.05499	12.1
69.03439	12.3
69.07056	8.9
71.04986	9.6
71.53422	2.9
71.70508	2.5
79.05485	10.5
81.03418	6.2
81.07063	25.0
83.01916	2.2
83.08617	4.8
84.08146	14.1
85.02910	38.4
85.06538	6.2
87.04443	3.8
91.05494	15.1
93.07056	26.9
95.04988	4.9
95.08617	25.7
97.02895	12.8
97.06536	5.0
99.04451	3.5
99.08103	2.6
104.39089	2.3
105.07034	35.7
106.07374	6.2
107.04929	2.7
107.08601	26.0
109.02885	5.9
109.06544	4.4
109.10146	8.5
111.04438	3.8
111.08128	5.5
115.07538	4.8
115.94022	2.0
117.07038	10.3
119.08586	20.5
121.06516	4.5
121.10145	16.4
121.52628	1.9
123.08121	2.4
123.11729	12.2
127.03912	8.3
129.06999	3.1
131.04950	5.3
131.08577	35.9
132.05762	3.2
133.10139	22.7
135.04439	3.2
135.08060	4.4
135.11693	14.7
137.09607	4.3
139.85724	2.4
143.08542	5.4
145.04996	12.2
145.10115	19.0
146.05920	2.7
147.11679	9.9
149.05988	2.7
149.09650	4.4
149.13257	6.3
151.03903	4.2
151.11188	2.1
153.05463	10.4
158.10934	11.8
159.04469	3.3
161.13281	15.0
163.14854	20.4
165.09166	4.6
167.03421	11.8
167.07053	5.3
173.13274	99.3
177.05510	2.6
187.03900	10.5
187.07478	3.5
191.07066	3.8
191.14314	100.0
192.07855	6.9
203.06999	2.3
205.04979	3.7
209.11783	2.9
209.15370	15.2
221.08092	3.3
227.16484	16.7
233.08194	3.3
251.14175	2.2
254.05696	4.1
269.08066	7.8
305.17374	2.6
311.08923	2.3
323.08752	2.1
341.10406	3.0
345.09760	8.3
363.76999	2.1
389.81049	2.5
390.15393	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	389.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01874	0.8
57.03442	0.8
58.06593	1.1
59.05010	4.4
60.04536	0.6
67.05507	0.8
69.03428	2.8
69.07083	0.7
70.06589	1.2
71.05000	1.3
71.51775	0.6
72.08128	0.6
73.02942	0.6
79.05483	1.2
81.03430	3.5
81.07067	1.4
83.04999	0.7
84.08141	1.3
85.02912	9.4
86.09722	4.3
86.54689	0.4
87.04478	3.8
91.05478	0.7
93.07038	1.5
94.90600	0.4
95.04984	1.2
95.08598	2.0
97.02908	3.7
97.06499	0.5
98.03690	0.6
99.04462	1.7
101.06049	0.7
103.03964	2.3
105.05511	1.6
105.07046	2.0
107.04989	1.5
107.08597	1.3
107.17960	0.4
109.02892	3.6
109.06520	0.6
109.10183	1.4
113.06004	0.8
115.05452	0.4
117.07017	0.9
119.08602	1.4
120.08090	1.0
120.56439	0.4
121.10135	0.7
121.98394	0.5
123.04447	1.4
123.11739	0.6
126.03133	2.0
127.03921	4.2
131.08539	0.8
133.10130	1.6
135.08083	0.5
137.05984	5.7
139.07530	0.5
141.05481	100.0
142.05840	0.9
143.08533	0.5
145.04951	2.4
147.06494	0.8
147.08116	0.5
149.09740	0.5
149.13287	0.5
151.03981	0.6
151.07570	1.6
153.05501	1.7
159.30313	0.5
160.05318	0.5
160.07619	0.6
161.06004	0.7
161.07933	0.5
161.13287	0.5
163.03854	0.4
163.07587	0.8
163.11163	0.9
163.14656	0.6
165.05510	9.4
165.09061	0.6
167.07065	0.6
173.09691	0.6
173.13222	3.1
175.07568	0.6
177.05492	2.3
179.07027	2.4
181.04988	0.7
183.06546	9.6
183.08080	0.8
187.03928	0.5
189.05586	0.5
189.07591	2.7
189.12488	0.7
191.07059	1.6
191.10689	0.5
191.14301	1.7
192.07578	0.8
201.12442	0.9
203.07060	1.9
205.04993	0.8
207.06578	5.6
209.15376	1.1
222.11319	1.4
223.05995	1.1
223.11646	1.4
227.16367	0.8
231.06558	5.0
231.08598	0.9
236.43446	0.5
249.07616	4.4
267.08795	0.9
389.13525	0.9
389.17838	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	0.4
51.02397	0.3
53.03948	0.4
55.01875	1.3
55.05508	0.4
58.06620	0.5
65.03944	0.7
67.05508	1.1
68.02667	0.4
68.99785	2.1
69.03429	1.6
69.36143	2.6
70.28826	0.3
74.69154	0.3
77.03961	0.3
79.01836	0.6
79.05507	2.2
81.03426	9.1
81.07069	0.8
83.04993	0.5
85.02906	0.9
91.05489	1.2
93.03406	0.7
93.07040	0.8
95.04986	0.7
95.08603	0.8
96.02115	2.5
97.02902	0.7
97.06525	1.1
99.08109	0.4
103.05469	3.1
105.03419	0.5
105.07063	0.9
107.01318	0.5
107.04981	0.5
107.08617	0.9
109.02901	1.2
109.10188	0.4
109.96972	0.3
110.03661	0.7
111.04441	8.6
115.05457	4.5
117.07040	1.7
118.23003	0.3
119.04956	0.8
119.08594	0.8
121.02929	0.5
121.10175	0.4
122.03619	0.4
123.04443	1.0
124.01577	0.3
125.06000	3.7
126.03178	1.0
127.03960	1.0
128.06229	1.4
129.07018	7.3
131.04939	5.9
133.02869	3.7
133.06529	0.8
135.04425	19.1
137.06001	3.6
138.03122	1.7
139.03941	1.9
141.05440	2.0
143.04938	3.4
145.06499	2.6
145.10130	0.4
147.04437	1.5
147.08083	1.2
149.02356	14.4
151.03906	4.7
151.05009	0.6
151.07581	0.8
152.01059	7.2
153.05476	45.0
154.05888	0.5
155.04895	0.5
157.06491	6.6
157.07751	0.4
158.07103	0.3
159.04437	4.1
160.05234	0.6
161.06010	3.0
163.07588	0.6
165.05481	4.2
165.06885	0.5
167.03410	100.0
168.03781	0.8
169.05003	1.1
171.04413	1.1
172.05228	0.4
173.04472	0.7
173.05991	13.7
174.06703	0.3
175.03983	0.3
175.07539	1.6
176.04761	0.8
177.05502	2.7
178.02667	0.4
181.04962	1.2
181.06427	0.3
185.06033	1.8
187.03857	1.4
187.07555	8.7
188.04668	0.5
189.05470	7.4
189.06844	0.4
189.09035	0.6
191.07059	2.4
193.04942	3.2
201.05478	25.8
202.05975	1.0
203.07042	10.8
204.04152	1.4
205.04874	0.6
205.06673	0.5
205.08611	0.9
206.07175	0.4
207.06490	0.5
207.08131	0.4
209.08105	1.1
211.06023	0.6
213.05476	1.4
217.08670	1.0
219.06531	16.0
221.06151	0.4
221.08076	1.9
223.07634	0.4
225.05397	0.5
231.06525	7.2
232.85542	0.3
234.06691	0.5
235.07590	0.6
237.05370	0.6
237.07544	4.3
247.07486	0.5
249.05432	0.7
249.07567	2.6
250.06174	0.4
251.07008	0.9
253.08612	0.4
261.05487	0.6
262.06223	0.5
263.07077	1.3
275.07104	0.8
278.05627	0.4
279.06525	1.1
280.07254	0.6
283.09692	0.6
285.07516	0.6
291.06497	1.0
293.08133	1.2
295.09665	0.8
297.08170	0.3
300.09982	1.2
303.06516	0.9
307.09619	1.3
308.06543	0.4
309.07541	0.6
311.09119	2.7
321.07742	1.5
321.10971	0.4
323.09146	1.2
325.10693	2.2
335.09122	0.9
339.12231	0.4
341.10251	5.5
341.14066	0.3
353.05966	0.5
353.10199	5.9
353.13998	0.5
359.11224	1.4
371.11108	5.6
371.15005	0.8
389.12054	2.7
389.16382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1231
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
53.03941	8.2
55.01865	11.6
55.05507	9.3
57.03426	9.0
58.06598	11.1
61.02907	5.8
67.05503	16.5
69.03433	25.0
69.07071	10.7
70.03776	5.5
70.06579	10.9
71.04990	22.4
71.53614	6.8
72.08154	8.2
78.04726	4.0
79.05499	18.4
81.03407	16.6
81.07069	22.6
84.08145	80.4
85.02895	48.2
85.06535	5.4
86.03216	7.3
86.09686	10.1
87.00843	13.5
88.10440	4.0
90.72646	4.1
91.05487	24.0
93.07050	16.2
95.04974	14.9
95.08589	14.4
97.02906	16.3
97.06576	5.1
98.03214	4.3
99.04475	14.7
99.05614	8.0
103.05464	13.8
105.01212	4.5
105.01842	22.5
105.07028	22.8
107.04948	15.2
107.08579	17.4
109.02896	10.1
109.06500	7.0
109.10159	18.5
111.04455	6.7
115.05473	7.9
117.06988	5.2
119.04916	4.9
119.08578	9.2
120.08146	6.4
121.06507	13.1
121.10153	14.5
123.04445	10.9
123.11678	7.2
127.03928	31.8
130.06540	5.9
130.08621	6.3
131.04926	56.8
131.08571	22.0
132.05705	29.9
132.08113	9.3
133.06485	7.5
133.10135	8.6
135.04396	9.4
135.08043	6.9
135.11765	7.0
137.05965	16.4
137.09660	7.4
139.03958	5.4
141.05470	5.8
145.04958	11.0
145.10133	14.7
147.04416	12.9
147.11572	6.6
149.02357	5.5
149.05962	12.5
149.09618	17.4
151.03928	7.6
151.07533	10.0
153.05492	7.8
155.07074	7.1
159.03128	6.8
159.04390	32.4
159.09215	12.5
160.05183	14.2
161.06004	15.0
162.06709	7.4
163.03920	16.0
163.07535	8.2
163.11116	7.8
165.05525	10.5
165.09099	10.2
167.07071	47.4
167.10690	39.8
173.13177	4.8
177.05443	21.3
179.07068	8.1
180.07816	17.5
181.04993	10.6
182.09448	5.5
187.03912	100.0
187.08737	8.5
191.07068	16.7
191.10728	10.5
191.14445	5.3
192.07809	69.0
205.04919	26.0
209.08064	5.5
209.11763	35.9
209.15300	10.6
210.08884	10.2
217.04918	6.1
227.12820	13.8
227.16380	12.1
239.07182	8.4
250.06390	5.9
258.12225	9.7
285.07486	11.6
293.11942	5.2
300.09860	13.9
311.08948	25.4
329.10168	7.3
341.10263	36.8
343.11945	5.0
345.09558	7.9
353.10126	9.2
353.27914	5.2
371.10837	6.6
371.28964	21.7
389.17148	6.2
389.30038	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	389.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41144	0.3
53.03941	0.8
55.01868	1.4
55.05490	0.4
58.06585	0.5
65.03934	0.8
67.05499	1.1
68.02652	0.4
68.99797	1.7
69.03440	1.5
69.07074	0.5
69.60342	1.6
77.03959	0.5
79.01843	0.6
79.05497	1.3
81.03423	9.0
81.07047	1.1
83.04994	0.7
85.02913	0.7
87.02728	0.4
91.05480	0.8
93.03402	0.9
93.07047	0.8
95.05003	0.4
95.08635	0.7
96.02099	2.8
97.02892	1.0
97.06539	0.9
103.05472	2.7
105.03399	0.4
105.07068	0.7
107.04956	0.7
107.08584	1.0
109.02858	1.6
109.06501	0.4
109.10187	0.4
110.03709	0.5
111.04448	8.1
111.05216	0.5
112.38284	0.3
115.05464	4.6
117.07021	2.0
119.04922	0.7
119.08594	0.8
121.10203	0.4
122.03640	0.6
123.04472	1.7
125.06001	3.4
126.03114	0.8
127.03943	0.8
128.06184	1.5
129.07025	6.3
131.04942	7.5
133.02872	3.2
133.06514	0.4
133.10194	0.5
135.04428	21.2
135.11655	0.4
137.05986	4.1
138.03143	2.2
138.06334	0.4
139.03928	1.7
139.06555	0.4
141.05452	1.8
143.04950	4.6
145.06476	2.2
147.04411	1.4
147.08047	0.9
147.11534	0.4
149.02357	14.0
149.05991	0.8
151.03917	4.4
151.07558	1.0
152.01064	8.0
152.04401	0.4
153.05479	43.2
154.05830	0.4
155.06061	0.4
157.06503	6.9
159.04437	5.2
160.05237	0.4
161.06018	2.9
163.03929	0.5
163.07645	0.3
165.05499	3.1
165.06938	0.6
167.03416	100.0
168.03716	0.7
169.04977	1.3
169.06287	0.3
171.04433	1.4
172.05283	0.6
173.06006	13.9
175.03952	0.7
175.07565	1.4
176.04688	0.7
177.05505	2.5
179.08543	0.3
181.04958	1.0
185.05995	2.5
185.74739	0.4
186.06796	0.5
187.03914	1.5
187.07564	8.5
188.04765	0.6
189.05493	8.2
189.07048	0.5
189.09113	0.6
191.07101	1.8
192.04185	0.5
193.04990	2.6
195.08078	0.5
201.05489	22.3
202.06099	0.5
203.07063	10.3
203.18071	0.4
204.04123	1.6
205.04892	0.6
205.06635	0.7
205.08607	1.1
207.06541	1.2
209.08145	1.3
211.06032	0.6
213.05502	1.0
217.08672	0.7
219.06549	16.0
219.09972	0.6
221.06116	0.6
221.08141	1.5
223.07507	0.5
225.09087	0.4
231.06544	7.5
233.06207	0.4
235.07567	1.2
237.05276	0.7
237.07524	4.4
247.07613	0.6
249.07529	1.9
251.07034	1.0
263.07004	1.5
264.07941	0.4
265.08627	0.4
267.08728	0.5
275.07089	0.8
279.06577	1.1
283.09534	0.9
285.07584	0.6
286.08234	0.4
291.06525	0.9
293.08102	1.3
295.09650	0.7
298.08585	0.6
300.09921	0.9
303.06427	0.7
307.09686	1.5
309.07565	0.4
311.09180	3.3
313.10721	0.5
321.07617	1.3
323.09119	1.3
325.10788	2.4
335.09048	1.3
341.10257	4.6
353.10190	5.4
353.14029	0.4
359.11234	1.8
371.11160	4.9
371.14963	0.4
389.11963	1.9
389.16574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
55.01853	0.5
60.20874	0.2
67.01859	0.6
68.99785	0.5
69.03433	0.4
69.17921	0.3
71.44920	0.5
81.03421	2.2
85.02912	1.4
87.00806	0.5
94.18994	0.3
95.04958	0.7
97.02875	0.4
98.03670	0.8
99.04468	0.5
101.89890	0.2
109.02898	2.5
113.05991	0.7
123.04424	0.5
126.03117	1.7
126.37637	0.3
127.03929	1.8
137.05971	0.3
141.05467	100.0
142.05830	0.6
159.02911	0.4
165.05487	1.0
169.55235	0.3
183.06573	1.3
207.06621	0.7
209.11655	0.6
227.12572	0.5
234.04114	0.3
249.07692	0.8
389.17880	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1233
Annotation	Bafoudiosbulbin B
Peak:m/z	Relative Intensity
53.68373	0.5
54.75178	0.6
55.01876	1.1
55.05527	1.0
58.52385	0.5
65.03967	1.2
67.05514	1.4
68.99807	1.6
69.03452	0.9
71.53611	0.8
79.01862	0.6
79.05511	1.8
81.03421	10.4
81.07073	2.3
83.04998	0.6
84.38119	0.5
85.02921	1.6
91.05516	1.1
93.07079	1.0
95.04965	0.9
95.08627	1.4
96.02150	1.8
97.06564	1.1
103.05465	1.5
105.07053	1.1
107.04967	1.0
109.02906	1.1
110.03724	1.4
111.04440	8.4
115.05453	3.4
117.07043	1.9
119.04942	0.7
119.08562	0.9
121.06629	0.6
123.04449	1.2
125.05996	5.1
126.03142	0.9
127.03926	0.7
128.06210	1.0
129.07011	5.6
131.04910	4.8
131.08522	0.6
133.02834	3.0
135.04422	9.6
135.11589	0.8
137.05966	8.6
138.03120	3.1
139.03983	1.4
139.11159	1.0
141.05482	0.9
143.04973	3.3
145.06485	2.5
147.04445	1.5
147.08025	1.3
149.02370	5.1
149.05943	0.8
151.03931	8.1
151.05092	1.0
151.07570	1.3
152.01073	6.5
153.05479	86.8
157.06493	6.7
159.04448	2.5
160.05238	0.8
161.06004	2.4
162.49852	0.7
165.05463	3.6
167.03413	100.0
167.07085	2.6
169.04985	0.8
171.04396	1.8
173.05988	14.8
175.07559	2.4
177.05449	2.5
181.04988	2.5
183.06644	0.7
185.06024	3.6
186.06772	0.9
187.03941	2.2
187.07564	4.9
189.05472	8.4
189.09047	0.9
191.07100	1.4
192.07768	1.2
193.04961	1.6
201.05496	9.5
203.07047	10.1
203.10736	1.4
205.04910	1.5
205.08565	3.3
209.08093	1.0
213.05405	0.9
217.08521	1.9
219.06462	7.3
219.09962	0.8
221.05943	1.0
221.08076	12.6
231.06519	6.2
235.07489	1.0
237.07507	1.0
249.07536	4.4
277.08398	0.7
279.06519	1.1
291.06497	0.8
293.07968	1.4
295.09497	0.8
299.16156	0.6
300.09882	1.4
303.06342	1.5
307.09573	1.4
311.09152	3.7
321.07626	1.3
321.11145	0.8
323.09164	0.7
325.10492	1.6
335.09058	1.6
340.09589	0.7
341.10095	3.7
341.13794	0.9
353.10269	4.3
353.13965	1.1
359.10876	0.8
371.10992	2.8
371.14999	1.7
389.15729	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61869	0.4
53.03942	1.0
53.56471	0.4
53.69851	0.4
55.05512	2.5
57.07081	1.7
65.03930	0.5
67.05176	0.6
67.05511	6.8
69.07076	12.9
69.64178	0.4
70.06597	52.4
71.19642	0.7
79.05504	7.9
81.07063	77.5
82.07439	0.5
83.08625	1.3
91.05498	1.3
93.07050	8.7
95.08614	23.5
97.10175	1.2
105.07064	2.0
107.08594	6.4
109.10159	8.7
111.11707	0.6
114.05538	1.0
116.07101	100.0
117.07478	0.8
119.08588	1.1
121.10153	11.3
123.11703	4.0
128.07085	2.2
133.10150	0.6
135.11710	3.9
137.13264	7.2
149.13290	6.7
161.13255	1.0
163.14842	1.0
185.83963	0.4
205.19612	0.5
388.32092	15.1
389.32550	0.5
407.48166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.7
58.21345	1.3
60.89605	1.3
67.01871	2.0
69.03427	1.7
69.55756	7.3
70.06591	2.5
79.05480	1.7
81.03422	2.3
83.04988	1.6
85.02910	8.7
93.03400	5.8
95.04991	2.2
95.82796	1.4
97.02905	8.1
103.03954	5.9
103.05464	1.7
107.04923	3.5
109.02930	2.0
111.04390	2.0
115.05047	1.6
116.07096	3.9
119.04921	2.2
121.02893	7.8
131.04906	4.0
132.08063	2.6
135.04434	8.0
139.03906	4.4
141.06927	1.7
149.06012	3.3
151.03883	4.0
159.04442	9.5
163.03915	10.8
167.03403	4.3
167.07051	1.4
173.06018	2.3
175.03941	13.3
177.05501	26.1
181.04984	24.9
183.31119	1.5
185.05887	1.8
187.03925	17.9
189.05426	3.2
191.07034	3.0
193.04997	33.4
195.06516	1.4
197.06047	2.1
199.03920	3.1
201.05511	9.3
205.05005	56.9
209.04478	11.1
209.15373	1.9
213.05507	4.2
215.07039	2.2
217.04962	8.1
219.06514	19.0
221.04474	21.4
223.06038	100.0
225.05551	2.7
227.05522	5.5
229.04984	4.5
231.06563	5.0
233.04491	17.6
233.08086	1.9
235.06039	3.5
239.05498	1.7
241.04993	4.8
243.06551	4.3
246.12468	2.6
247.06058	63.0
251.05525	30.4
253.04951	2.8
259.06061	37.2
261.07507	2.7
269.06589	9.2
270.12228	1.4
271.06055	10.9
274.11749	1.8
275.05515	28.0
277.07114	9.3
287.05527	21.9
289.07135	34.0
293.06525	2.1
299.05527	5.8
305.06543	17.4
307.08145	25.1
317.06610	12.0
325.09213	24.4
325.12817	2.6
335.07629	16.6
353.08661	13.1
371.09866	3.1
389.13953	2.3
389.17972	4.7
398.86826	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.2
55.01868	7.3
55.05519	0.8
57.03437	5.2
61.02933	5.8
68.99802	2.2
69.03436	33.3
70.06591	1.8
70.49841	2.4
71.05005	4.5
73.02932	6.3
79.05502	1.0
81.03429	22.2
81.07076	0.8
82.07388	0.7
83.01359	1.4
85.02914	100.0
87.00838	41.9
87.04497	0.8
91.03972	1.3
91.05511	1.0
95.04973	0.7
97.02901	26.0
99.04469	12.4
101.02403	0.8
103.03976	0.9
104.77871	0.7
105.01877	67.4
105.07042	14.2
108.04478	2.8
109.02889	28.6
109.03601	1.6
115.03932	1.0
116.07060	0.8
117.01865	2.1
117.07126	0.8
119.11742	0.6
121.06516	0.9
126.05524	1.3
127.03930	71.8
129.01836	3.8
141.31862	0.7
145.04970	40.2
147.02922	2.9
159.02910	15.1
177.04068	1.4
177.70982	0.8
189.04002	2.9
206.50713	0.7
209.11830	1.0
213.04080	2.4
213.09184	2.0
230.06607	0.9
231.05022	26.9
231.07260	1.4
231.10213	1.4
242.03040	0.7
248.07707	1.7
249.06093	10.2
266.08905	1.1
344.22720	0.7
388.16208	4.4
388.20609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04379	2.2
71.52476	3.2
94.38903	2.5
95.08616	6.2
96.78878	2.5
109.10179	11.9
131.34055	2.4
137.09668	6.2
147.04393	8.6
175.03928	100.0
189.05496	7.5
203.06993	4.4
213.05525	2.9
215.03503	2.8
283.13306	67.5
293.11621	3.7
311.12872	36.5
329.13541	2.5
343.15482	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	388.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02609	100.0
76.66451	28.0
79.05502	53.3
107.08590	33.0
109.06492	32.7
112.32019	29.6
135.04404	37.0
137.05969	39.4
388.14700	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05540	5.7
56.96575	4.6
60.88091	5.0
66.18984	6.0
68.05494	5.6
69.07087	5.6
71.03830	9.8
71.77306	5.6
81.07067	7.0
87.59771	5.7
91.05479	6.3
92.05849	6.7
93.07044	10.5
97.06535	10.8
98.97585	5.2
107.04989	9.6
135.04427	9.4
136.05191	12.5
137.05989	10.2
139.03947	7.4
145.06526	6.0
151.07570	100.0
152.07909	59.0
157.06471	10.3
158.06984	6.4
159.07625	7.1
161.85306	6.0
163.31752	5.1
165.05533	14.4
165.09145	7.2
173.09265	7.3
174.06464	8.4
175.07242	8.4
179.07054	9.8
188.08316	21.7
189.08867	27.0
190.09462	17.0
191.06981	7.9
192.07436	7.4
201.09091	41.4
202.09465	46.1
203.10709	11.0
204.11075	18.1
224.28143	5.1
225.08759	8.2
226.09398	8.7
231.10301	26.6
232.10551	36.6
241.08386	10.8
253.08244	6.7
254.09033	6.7
255.10060	9.6
256.10507	21.9
261.08875	5.7
262.09729	8.6
263.10382	8.5
269.11295	12.3
276.11142	8.0
278.12622	12.5
279.09702	6.0
280.10541	6.7
282.12024	6.3
284.10120	19.5
285.10880	8.6
290.12512	13.5
292.10501	5.9
294.12106	14.9
296.09979	6.3
298.11996	14.9
299.12411	63.2
300.13220	32.2
305.11371	8.1
306.12155	22.7
310.11673	9.9
312.13193	18.0
320.13657	18.3
321.14404	37.7
322.11578	19.1
325.13876	15.1
334.64905	5.3
337.13864	11.9
340.16422	30.3
347.15353	8.4
352.16257	79.7
365.16229	5.8
370.17538	33.5
388.14697	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	387.2014
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
53.00328	1.6
53.03933	1.7
55.01874	2.8
55.05498	3.3
57.03431	4.9
57.07058	3.2
67.05503	6.9
68.72290	1.5
69.03082	2.7
69.03432	32.0
69.07077	3.2
70.06582	6.4
70.63683	2.2
70.64024	3.5
71.01350	1.8
71.04987	5.2
72.08145	1.6
73.02917	2.9
77.23441	1.6
79.05509	3.7
81.03422	13.1
81.07060	17.7
83.04994	3.1
84.71593	1.6
85.02907	100.0
86.09684	1.8
87.04416	1.8
91.05480	4.9
91.09030	1.8
93.07045	5.3
95.08627	9.5
97.02896	14.5
97.06570	2.3
99.04465	9.1
105.07034	15.7
106.02953	2.0
107.08620	6.3
109.02891	5.7
109.06496	4.5
109.10162	28.9
111.04429	2.7
117.07021	1.9
119.08572	13.9
121.06513	2.0
121.10177	9.8
123.08112	2.4
123.11709	83.6
124.03975	3.4
125.05987	20.1
127.03927	17.8
130.51231	2.3
131.08569	4.5
133.10117	2.0
139.07552	5.4
145.05037	4.0
145.10143	6.1
147.08046	5.7
147.11711	16.8
149.09633	9.0
151.07532	12.3
156.09346	2.7
159.08107	2.6
161.09605	2.5
161.13242	3.9
165.12799	3.9
167.10701	8.4
171.11699	2.3
174.10350	3.6
177.05484	2.2
189.12764	22.5
207.13809	70.1
225.11171	12.5
225.14845	38.9
251.09151	2.1
315.67075	1.9
333.16986	23.9
351.18021	45.9
352.18408	1.9
369.19180	14.9
387.16104	31.0
387.20209	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03947	1.3
55.01869	1.4
57.03436	0.9
57.61666	0.3
61.02919	0.5
68.11105	0.3
68.99793	0.8
69.03435	3.9
69.34712	1.9
70.06599	0.4
71.05005	0.7
72.22744	0.3
73.02914	0.9
77.03955	0.4
79.05497	2.8
79.28902	0.3
79.76128	0.3
81.03426	3.6
84.08121	0.3
85.02909	11.5
87.00845	4.9
91.03990	0.4
95.04974	0.7
97.02898	3.7
99.04469	2.1
103.03947	0.5
103.05467	1.9
105.01874	5.4
105.07037	100.0
106.07365	0.9
107.08589	0.3
108.04506	0.8
109.02886	3.6
115.03983	0.4
117.01835	0.3
119.08587	2.9
122.09681	0.4
122.10489	0.3
125.02359	0.4
126.05611	0.3
127.03930	8.3
129.01819	0.8
131.08632	0.6
137.05978	1.3
138.06329	1.1
139.03954	1.9
140.04274	0.9
143.03438	1.1
143.08611	1.5
145.04987	3.6
147.02905	0.7
147.04398	0.3
147.08083	3.0
157.10124	0.4
159.02893	1.7
159.08080	1.6
163.03931	0.4
167.08524	0.3
169.07635	0.4
171.08069	1.6
176.07944	0.4
183.08061	0.4
185.09575	1.4
187.07544	0.3
189.03941	1.7
189.09135	1.4
193.13463	0.3
195.08098	1.3
213.03938	0.5
213.09148	2.5
219.10222	0.4
220.10452	0.3
226.82539	0.3
230.06671	0.4
231.05019	2.3
231.10092	1.5
248.07684	0.6
249.06100	0.6
271.07260	0.3
285.08572	0.3
287.08133	0.3
292.78171	0.3
295.06894	0.4
305.82877	0.3
317.10257	0.3
328.09338	0.4
335.11423	0.6
338.18515	0.3
343.56247	0.3
344.26855	0.6
353.12524	0.4
358.13950	0.4
366.38907	0.3
370.10211	0.3
388.11240	1.1
388.15323	0.8
388.29715	0.7
412.11096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.1
55.01872	6.3
55.05516	18.7
57.03444	4.9
57.07066	2.4
58.06601	4.9
59.05010	2.5
61.02933	5.5
62.60353	3.0
67.05510	14.2
68.99786	3.7
69.03439	23.7
69.07059	4.4
70.06607	4.2
70.19030	2.7
71.01366	2.7
71.05001	10.4
71.53339	2.9
72.08157	5.6
73.02909	5.3
78.04738	3.2
79.05511	23.3
81.03419	12.1
81.07067	26.5
83.04990	10.3
83.08623	22.5
85.02917	32.5
85.06541	2.7
87.04478	3.6
89.03931	3.0
89.06034	9.2
90.06378	3.0
91.05490	33.1
93.07056	21.1
95.04977	91.6
95.08617	16.4
97.02889	23.8
97.06545	10.3
97.68324	2.3
99.04453	15.3
103.03967	4.4
103.05472	21.8
105.03413	8.6
105.07037	34.6
106.04188	41.9
107.04966	23.2
107.08610	38.7
109.02879	6.0
109.06525	16.3
109.10201	12.0
111.04443	8.8
111.08093	11.6
113.06014	4.7
113.09668	4.4
115.05482	9.3
117.03387	4.5
117.07023	5.3
117.80620	2.9
118.04180	8.2
119.04949	8.5
119.08588	10.2
121.06519	22.6
121.10162	14.4
123.04443	7.9
123.08080	44.2
123.11742	4.5
125.06039	4.9
125.09650	25.4
127.03931	8.9
127.07586	7.1
129.05411	2.7
129.07005	4.4
131.04936	29.7
131.08604	7.0
132.05769	12.3
133.06519	46.6
133.07489	4.9
133.08597	3.9
133.10152	8.3
135.04434	9.7
135.08067	6.6
135.11734	3.3
136.63228	2.5
137.05986	26.5
137.09657	7.0
139.03902	7.8
139.07579	4.9
139.11211	5.2
145.06541	5.3
145.08632	4.5
145.10120	6.9
146.03583	2.7
147.04436	7.0
147.08043	7.6
147.11717	8.7
148.05208	5.7
149.05997	77.7
149.07138	5.1
149.09625	17.9
151.03926	7.6
151.07562	14.2
151.09692	3.2
153.05472	4.6
153.09190	6.4
155.07059	3.0
155.10728	6.8
157.06317	2.4
159.08035	4.4
159.11671	5.4
160.05254	5.0
161.06000	38.6
161.09644	10.4
163.03958	12.2
163.07581	8.5
163.11244	6.0
165.05495	8.9
165.09145	15.9
165.12770	3.4
167.07054	20.1
167.10690	8.8
169.12317	4.7
173.09639	5.8
175.03941	3.1
175.07648	4.5
177.05489	100.0
177.09023	2.9
177.12807	4.7
179.07068	20.9
179.10684	4.1
180.07811	6.8
181.04926	7.1
181.12268	6.4
187.07558	7.5
189.09129	4.2
189.12978	6.1
191.07025	23.1
191.08507	3.5
191.10648	14.7
192.07820	17.9
193.05000	10.6
193.08629	6.1
193.12370	2.8
195.06624	4.9
195.13948	3.6
201.09225	5.8
201.12758	2.9
203.07063	4.2
203.10753	4.4
205.12311	6.1
207.06531	23.0
207.10201	5.0
207.13828	16.3
207.15904	7.6
208.16248	15.1
215.07072	9.1
215.10716	2.6
217.08633	2.6
219.10208	2.9
219.13823	3.7
223.13329	8.6
225.07747	14.1
225.14894	18.3
231.10130	2.9
231.13765	3.5
233.08176	6.0
235.13367	5.1
237.14868	3.7
237.18486	5.8
247.13252	3.1
249.14886	86.2
261.14899	11.3
267.09256	3.0
267.12564	3.3
267.15936	9.2
273.14822	4.9
279.10065	2.6
279.16013	6.9
291.15887	19.3
303.15967	3.0
309.16830	2.8
315.15799	3.1
329.16055	3.7
333.09390	2.7
333.16992	11.9
337.10638	13.9
341.61765	3.0
351.18011	30.4
357.13382	3.1
360.23529	2.9
369.13416	8.4
369.19342	11.9
387.14279	12.3
387.20218	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	387.2017
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
52.41301	1.2
55.01873	1.5
55.05505	5.2
57.03417	1.9
57.07065	3.7
57.37326	1.3
59.04987	2.4
61.02908	1.1
67.05502	4.8
69.03424	6.5
69.07057	5.1
69.74587	7.0
71.04990	6.4
72.08099	1.1
79.05486	5.4
81.03413	2.1
81.07061	14.3
83.04989	8.4
83.08620	3.1
83.99996	1.2
85.02916	17.5
85.06539	2.9
86.09738	1.8
91.03964	1.7
91.05463	4.2
93.07039	4.8
94.04191	1.6
95.04984	3.0
95.08608	10.0
97.02882	3.4
97.06540	27.3
98.21526	1.4
99.04456	2.2
99.08103	10.4
105.07014	5.6
107.04941	1.9
107.08577	5.5
109.02874	2.7
109.06526	18.6
109.10149	3.4
109.94446	1.2
111.08060	3.0
117.06981	1.6
119.08564	5.0
121.10152	24.8
123.08075	100.0
123.11680	1.6
124.08380	1.1
125.06008	25.9
125.09609	1.7
127.03900	3.6
127.07536	4.0
129.06908	1.5
129.09160	1.7
131.08560	2.9
133.06442	1.8
133.10120	2.8
135.11697	9.7
137.05975	17.1
137.09599	1.8
137.13258	21.5
139.03903	4.0
139.11205	2.2
145.04955	2.4
145.10094	3.1
147.08060	2.1
147.11638	1.8
149.09619	2.7
151.03862	1.7
151.07564	11.7
155.10663	4.2
158.78119	1.4
160.05284	1.2
161.09576	1.8
161.13260	2.9
163.03903	3.1
163.11197	5.1
165.12747	1.4
169.08528	1.7
175.07480	1.6
179.14314	47.2
181.04958	3.5
181.12323	1.5
189.09050	2.0
189.12744	4.0
207.13814	29.7
225.14874	47.7
247.17259	1.6
344.24615	1.5
351.18018	1.4
357.13348	2.7
369.19171	4.4
369.86069	1.5
387.14349	7.9
387.19543	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2016
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03942	3.6
55.01882	1.7
55.05508	4.7
57.03427	4.7
58.06608	2.6
59.04996	2.4
61.02932	7.8
67.05499	7.3
69.03430	17.1
69.07065	5.3
69.62586	8.8
70.06588	4.7
71.04996	6.1
71.06933	1.5
72.08144	4.0
72.86665	1.6
73.02923	3.3
79.05486	7.3
81.03408	7.1
81.07050	20.7
83.04996	4.4
85.02906	44.8
85.06521	2.9
86.09699	3.9
87.04468	4.8
91.03939	2.5
91.05479	14.5
93.07058	23.0
95.04996	2.2
95.08597	8.2
97.02897	14.9
97.06514	4.5
98.20818	3.0
99.04451	11.6
99.08105	5.0
102.39771	1.6
105.07036	51.5
106.31807	1.8
107.08611	9.4
109.02885	4.9
109.06497	8.0
109.10163	5.8
111.04453	1.9
115.07563	1.8
117.07013	3.5
118.40217	1.8
119.08587	93.3
121.10144	42.8
123.04452	1.6
123.08070	5.0
123.11686	2.6
124.03939	3.4
127.03884	8.2
129.09232	1.8
131.08595	11.6
133.06442	2.2
133.10132	10.2
135.08093	1.9
135.11737	3.4
137.05972	16.6
137.09634	3.9
139.07532	1.6
143.08522	3.0
145.04956	9.8
145.10120	21.9
147.08034	2.0
147.11713	13.5
149.09636	10.0
151.07512	1.7
151.11140	2.0
156.09352	4.7
159.11705	3.9
161.09665	2.3
161.13261	100.0
165.09148	1.9
165.12776	3.3
167.07059	4.6
171.11684	11.0
179.14352	14.2
181.04950	2.5
183.13661	2.3
189.12733	17.7
194.11723	4.5
197.15390	6.0
201.16437	1.7
205.12291	1.5
207.09698	4.3
207.13815	46.7
225.14825	27.8
351.18011	2.0
357.13309	3.5
369.19202	1.8
387.14331	19.9
387.19809	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	387.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
71.06880	11.4
74.27888	5.1
74.57961	5.3
79.05493	9.4
91.05492	7.5
107.04983	12.0
129.60657	5.2
135.04469	5.7
136.05214	10.5
151.03941	7.0
151.07553	100.0
153.94785	5.3
157.06528	6.2
165.05551	12.7
165.09091	9.7
172.08740	5.5
179.07114	6.0
184.84845	5.6
188.08330	18.8
189.09119	23.4
191.07054	7.8
196.67453	6.7
201.09132	67.7
203.10756	17.6
231.10194	35.1
233.61581	5.1
253.08546	8.7
255.10222	25.1
261.09161	11.6
262.09998	7.3
267.10342	5.4
274.09863	6.4
277.12323	8.5
278.09439	7.1
283.09747	13.2
289.12234	7.6
293.11771	12.1
298.12112	54.0
299.12967	18.1
305.11798	15.6
309.11328	9.1
311.12823	16.0
319.13266	12.7
320.14124	25.6
321.11118	7.8
324.13458	14.0
339.16025	21.6
351.15936	64.6
369.17029	22.7
387.14459	13.2
407.85410	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	387.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84990	3.5
69.85400	7.5
71.04982	2.2
81.07079	2.6
85.34538	2.1
87.28105	2.6
91.05476	3.1
105.06993	2.0
106.52853	2.3
107.04954	8.2
108.05812	3.0
121.06559	3.2
128.06325	2.4
129.16724	2.0
135.04457	5.5
136.05219	11.2
137.06032	2.8
139.07570	3.7
143.80829	2.2
145.06506	4.6
151.07556	100.0
157.06488	8.5
158.07314	11.1
159.08087	3.0
162.06743	2.3
163.07512	2.7
165.05466	4.6
165.09125	6.2
170.07283	2.3
172.08853	7.6
173.05937	4.4
174.06764	9.0
177.09119	3.0
179.07101	3.7
188.08333	18.3
189.09109	23.3
191.06995	7.7
191.10628	2.9
201.09113	64.5
203.10663	20.3
213.09229	4.8
224.08356	8.6
225.09123	4.9
231.08116	2.9
231.10229	31.2
233.09732	3.9
239.07318	2.3
240.07811	5.9
241.08557	4.3
245.09599	3.2
249.09251	4.1
253.08508	2.8
254.09398	2.6
255.10152	23.6
259.10910	2.6
261.09088	6.9
262.09943	5.3
265.12241	2.2
266.09280	2.4
267.10153	3.9
268.10950	10.5
269.08160	3.9
275.10632	4.9
276.11560	4.4
277.08835	3.6
277.12241	6.4
278.09421	3.5
281.11777	3.5
283.09683	10.4
284.10498	8.9
289.08655	2.8
289.12158	11.4
293.11691	10.1
295.09854	2.6
298.12006	57.4
299.12717	20.2
304.10669	2.5
305.11795	20.5
307.10086	2.4
307.13361	6.2
308.14145	6.3
311.12833	10.8
319.13214	11.4
320.14090	16.7
321.11203	11.5
323.13126	2.0
324.13641	12.7
336.13611	6.1
339.15878	19.6
351.15887	51.0
369.16940	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	387.144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07086	3.4
70.33138	2.5
70.33486	8.9
81.07058	3.4
84.57471	2.4
86.71867	2.6
93.07066	2.6
95.08599	3.0
107.08587	2.6
122.73844	2.2
145.06573	3.2
151.03902	22.8
151.07530	21.3
160.41611	2.2
163.34840	2.7
165.05568	3.4
173.05962	3.0
179.07120	3.2
189.05521	5.8
189.09091	2.7
193.27882	2.4
197.05998	8.7
201.05522	4.0
201.09137	7.2
203.10780	2.6
224.08467	2.6
225.05542	5.8
227.07117	5.2
231.10312	3.1
241.08536	17.9
247.07568	3.6
249.09094	3.5
255.06610	16.6
262.10037	4.0
263.07028	3.4
265.12109	4.3
267.06442	4.5
268.07339	4.1
269.08060	5.9
277.08618	5.7
278.09445	5.6
283.06039	8.4
285.07635	2.9
290.09320	4.9
293.11716	6.5
297.07590	4.9
298.08362	100.0
299.09137	9.1
305.08191	2.8
311.09277	13.0
319.09714	4.9
320.10376	9.7
321.11191	12.1
339.12210	5.0
351.12329	36.9
369.13489	12.8
386.39728	3.5
403.59879	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1441
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.00312	0.8
53.03942	1.5
55.01872	1.3
55.05516	1.5
57.03442	0.9
57.07082	0.7
58.06609	0.7
60.04571	0.6
65.03941	3.3
67.05508	3.6
69.03438	2.2
69.07076	1.9
69.53903	3.6
70.06580	1.8
71.05009	0.8
72.08170	1.1
74.51545	0.6
77.03934	1.1
78.04702	1.1
79.05500	3.9
81.03416	2.7
81.07059	2.9
83.04976	1.0
83.08621	1.5
83.78295	0.6
85.02906	1.8
85.06561	1.4
91.05485	5.4
93.03420	1.2
93.07037	2.4
94.04194	1.8
95.04980	2.0
95.08620	2.1
96.40939	0.6
97.02882	1.0
97.06532	2.0
99.04453	1.0
103.05480	5.5
105.03410	1.3
105.07051	6.6
106.04185	6.7
107.04960	4.9
107.08610	0.9
109.02882	2.8
109.06525	1.4
109.10160	1.6
110.03712	0.8
111.04453	0.8
111.08043	0.7
115.05466	3.6
117.07032	2.6
118.04170	2.2
119.04957	1.7
119.08626	1.9
121.06544	3.5
121.10179	1.5
122.03672	7.1
123.04436	2.2
125.05992	1.0
127.03920	2.6
129.07002	1.2
131.04942	7.0
132.05705	2.5
133.02826	0.7
133.06490	8.3
133.10078	0.7
135.04436	2.4
135.11707	0.8
137.05991	100.0
138.06323	1.2
139.03900	5.8
143.04933	2.9
145.06517	4.4
145.10130	1.7
147.04427	2.1
147.08041	1.6
148.05235	1.2
149.06001	13.4
151.03922	8.9
151.07533	6.3
153.05513	1.2
155.06082	0.8
159.08113	0.8
160.05188	1.6
161.05978	8.1
161.09608	0.9
162.06714	0.9
163.03941	4.1
163.07607	3.5
165.05524	3.8
165.09055	1.2
167.07072	18.5
173.06038	4.9
173.09610	1.0
175.03912	1.7
175.07562	3.0
177.05481	17.7
179.07141	3.4
180.07822	0.9
181.04980	18.9
187.07545	1.6
189.05562	0.9
189.09120	2.1
191.07043	9.7
191.08618	1.0
192.07845	3.2
193.05008	2.3
193.08623	1.6
195.06584	1.3
201.09201	3.6
203.07031	2.1
203.10703	1.1
205.08624	2.6
207.06543	5.1
207.10172	1.2
215.07104	2.1
217.08578	1.2
219.10168	2.9
219.17479	0.9
225.07599	1.2
225.11137	0.9
233.08087	1.2
234.06888	0.9
235.07582	1.0
235.09784	2.0
237.18533	7.7
244.06886	0.7
249.09111	1.1
255.19618	1.6
265.08505	0.9
269.08011	0.7
277.08630	1.8
283.19064	0.7
293.08109	1.0
295.09589	0.9
296.98819	0.7
298.08371	1.0
299.09335	0.9
309.11325	0.8
337.10648	2.9
339.12302	0.7
341.13956	0.9
351.12360	2.0
355.11902	1.0
357.13364	12.5
369.09293	0.7
369.13321	4.0
387.14386	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1442
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
55.01868	1.6
55.05515	0.8
55.79404	0.6
57.03441	0.9
63.95213	0.6
65.03947	1.0
67.05513	1.4
68.99808	1.2
69.03421	2.6
70.06612	4.2
71.03293	1.0
71.03649	1.5
71.05018	0.7
71.06928	0.6
77.03922	0.7
77.36839	0.6
79.05485	2.4
81.03429	1.6
81.07059	3.9
83.04985	1.1
83.06123	0.9
83.08628	0.7
84.04497	1.0
85.02905	2.3
85.06517	0.6
86.09713	2.7
87.04488	0.8
91.05496	2.7
93.03425	0.9
93.07034	1.7
94.04182	1.1
95.04978	2.1
95.08622	2.8
97.02871	2.6
97.06535	1.9
98.03683	0.7
99.04480	1.0
103.05505	0.9
105.07033	3.2
107.04961	2.7
107.08599	1.8
109.02873	1.0
109.06521	1.5
109.10135	0.7
115.05485	1.5
117.07013	1.6
118.06919	1.2
119.08607	3.5
121.06493	1.5
121.10182	1.6
122.03643	2.0
123.04430	2.1
123.08079	1.5
125.05980	0.8
126.03142	3.3
127.03902	1.3
128.06209	1.7
129.06952	1.0
131.04886	1.5
131.08553	1.4
133.06458	0.7
133.10138	1.6
135.04430	1.8
135.18585	0.8
137.05991	24.5
137.09610	0.9
139.02950	1.0
139.03923	12.8
141.05479	1.0
143.08585	1.0
145.06473	3.4
145.10136	1.6
147.04518	0.7
147.08037	1.6
147.11699	1.7
149.02318	1.1
150.11581	0.7
151.03922	2.2
151.07584	6.0
154.02632	27.2
156.05672	0.8
157.05023	2.5
157.06497	10.2
158.07292	10.0
159.08000	2.0
161.05978	1.9
161.09721	1.3
161.13258	1.2
163.03934	4.4
163.11212	0.9
165.12750	1.7
167.07040	4.8
169.04988	36.6
170.02138	2.1
171.08072	1.7
172.08829	4.4
173.06024	4.3
174.06758	0.9
175.07541	4.7
177.05452	1.0
181.04970	5.2
185.04503	1.5
185.05963	1.3
186.06757	3.5
187.07512	1.7
188.08353	7.1
189.09119	7.4
189.12727	2.0
191.07072	1.2
193.05063	1.1
194.19197	0.7
197.05954	0.8
201.09126	100.0
202.09779	3.2
203.10692	16.4
205.08687	1.1
207.13844	2.6
213.09161	2.0
214.09880	0.8
216.07710	1.2
217.08505	1.2
219.08127	1.2
219.10132	6.0
225.14825	1.6
231.10158	9.4
234.98917	1.0
248.08405	0.8
249.09251	1.4
255.10243	0.9
265.08603	0.8
267.09952	0.9
271.06116	1.0
279.06598	0.9
285.07797	1.0
291.10172	0.9
293.08145	0.9
295.06158	1.0
295.09497	0.8
297.11127	0.8
305.08057	0.9
307.09668	0.7
309.11230	1.0
311.09253	1.3
319.09875	0.9
323.09042	1.9
325.10693	1.5
337.10635	3.9
338.11438	1.4
339.08612	1.7
339.12347	1.1
342.10828	1.1
351.12335	2.0
354.10852	0.9
357.13416	7.9
369.13364	9.8
387.14734	14.5
387.19662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
55.01874	7.3
67.05501	5.3
71.08604	9.3
79.05479	6.2
80.71644	3.9
81.03413	9.1
85.65981	3.8
92.76672	4.6
93.03426	5.2
121.02878	12.5
121.53257	4.1
129.07018	5.0
133.02905	8.8
135.04436	73.1
137.05978	17.7
148.00914	3.8
149.02419	8.6
151.03918	100.0
151.05107	5.0
151.07520	41.7
157.06476	17.1
158.07272	14.7
160.08746	4.4
164.17445	4.1
165.04161	6.9
165.05486	75.9
165.06699	3.3
172.08838	6.7
173.05988	11.3
174.06805	11.0
180.02406	4.0
181.04985	4.5
187.07588	11.0
188.08383	15.0
189.05479	6.9
189.09067	32.1
191.10628	4.7
195.75893	4.3
201.05432	13.8
201.09120	98.8
202.09886	26.9
203.10667	25.0
217.08592	26.5
231.10202	11.7
236.58963	4.8
247.07454	6.2
249.09224	5.4
261.09052	8.7
262.09946	6.2
263.07050	9.0
268.07126	4.1
277.08505	19.7
278.09454	9.7
289.08499	6.2
290.09247	10.4
293.11722	9.9
294.08820	8.8
297.07498	5.0
298.08383	32.4
306.08743	10.4
307.09866	7.8
308.10416	9.2
320.10275	8.0
321.07703	5.8
321.11261	19.7
324.09937	8.0
336.10080	6.9
339.12247	44.3
351.12283	68.6
369.13385	94.1
374.00909	4.5
387.14444	20.4
388.55844	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	387.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01883	0.9
65.03931	1.1
66.04716	1.7
69.03452	0.6
70.04627	1.3
70.05033	2.1
76.58303	0.7
76.61679	0.6
79.05139	0.6
79.05505	5.7
81.03429	4.9
81.07054	0.8
91.05486	1.9
93.03426	0.7
94.04187	2.4
95.04962	2.5
103.05536	0.9
105.03397	1.0
107.04965	1.6
109.06504	3.1
111.04456	0.7
115.05476	3.0
121.02843	0.9
121.06454	1.0
122.03689	4.6
123.04377	0.9
126.03132	1.0
128.06206	2.0
128.99887	0.8
129.07022	6.6
131.04932	1.9
135.04431	48.2
136.05168	2.8
137.05966	3.7
139.07541	3.0
143.04971	3.5
145.06485	1.2
149.02371	9.9
151.03876	1.6
151.07555	19.4
155.07086	4.6
157.06494	7.2
158.07253	1.7
159.04510	1.1
159.51070	0.8
161.06000	1.0
165.05487	100.0
167.07021	2.5
171.04428	2.4
173.06012	3.6
174.06757	2.0
175.07582	0.8
179.07024	3.4
181.08656	0.7
182.74445	0.8
185.05986	2.2
186.06555	1.0
187.07585	7.0
188.08292	1.2
189.05458	2.3
189.09166	3.7
190.06143	1.5
191.07045	1.4
201.05472	11.9
201.09157	0.9
203.07053	2.3
203.10658	1.7
205.08615	4.7
213.05388	0.8
217.06560	1.2
217.08615	17.0
219.06525	1.9
219.08395	0.8
219.10236	1.9
229.08679	1.7
231.06573	3.0
235.09663	2.9
242.44778	0.7
242.62743	0.7
247.09654	3.6
255.06598	1.1
259.07565	0.9
261.09293	1.6
262.09976	0.9
275.07162	1.7
277.08627	1.2
278.09570	1.1
281.11758	1.2
289.08698	1.5
290.09406	1.0
291.10135	1.4
292.10867	1.2
293.08411	1.0
293.11697	1.5
297.07584	1.9
298.08337	6.3
302.09335	1.0
305.07935	0.8
308.10379	2.8
309.11163	2.2
316.69705	0.8
319.09702	1.4
320.10468	1.8
321.11172	2.9
323.12878	3.4
323.69620	0.9
324.10046	1.5
333.11340	5.1
339.08432	0.8
339.12344	11.3
351.12280	9.3
357.13214	3.4
369.13412	18.1
387.14355	3.0
409.83255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1442
Annotation	Magnolone
Peak:m/z	Relative Intensity
51.02390	0.8
53.03943	3.4
55.01867	1.0
65.03924	1.0
66.04717	1.5
70.95824	1.1
70.96142	1.2
77.03929	1.5
79.05508	6.3
80.76963	0.7
81.03429	4.4
87.95709	0.7
91.05489	1.4
94.04177	3.4
95.04970	2.5
107.04982	0.8
108.05790	0.8
109.02843	0.8
109.06522	2.3
115.05473	2.8
121.02911	0.8
121.06506	1.2
122.03693	3.7
123.75713	0.7
128.06255	2.1
129.07018	7.2
131.04930	1.3
135.04425	47.1
136.05196	2.1
137.05960	2.8
139.07545	3.5
143.05008	3.8
145.06493	2.0
149.02351	14.0
149.05914	1.1
151.07555	24.1
155.04984	0.9
155.07074	4.2
157.06514	10.5
158.07321	0.9
159.04451	1.2
163.03922	1.0
163.07648	0.7
165.05484	100.0
167.07037	1.7
171.04431	1.3
172.08817	0.9
173.06003	4.7
174.06764	2.8
175.07625	1.5
177.09096	0.9
179.07050	3.6
181.08612	0.9
185.06017	2.1
187.07568	8.8
189.05585	1.7
189.09087	5.0
190.06300	1.2
191.07025	0.9
201.05492	12.1
202.06326	0.9
203.07080	1.9
203.10669	1.7
205.08624	5.2
213.05527	0.9
217.08598	16.1
219.06464	1.6
219.10199	2.2
229.08546	1.8
231.06528	2.4
235.09700	2.4
247.07433	1.3
247.09700	3.5
248.08351	1.0
255.06517	1.3
261.09140	1.4
262.09879	0.9
265.08807	0.7
265.12146	1.4
267.06638	0.8
275.07123	0.9
277.08612	1.5
278.09464	0.8
279.09860	1.0
281.11685	1.1
289.08749	1.4
290.09396	1.4
291.10440	1.3
292.10760	1.2
293.08295	1.1
293.11783	2.5
297.07474	1.8
298.08313	7.8
302.09439	1.1
306.08868	0.8
308.10519	2.2
309.11304	1.9
311.12820	1.0
319.09662	1.2
320.10495	3.2
321.11148	4.1
323.12863	3.9
324.09998	1.8
333.11307	5.1
339.12292	13.1
351.12253	9.9
357.13483	3.7
369.13345	18.8
387.14441	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
55.01851	3.7
63.30002	3.0
67.05499	4.7
71.38552	5.6
79.05518	3.6
81.03432	5.0
81.07052	3.8
91.05486	7.0
93.03416	5.2
97.06528	7.4
107.04931	6.3
117.07030	5.4
122.03653	9.2
123.04427	7.9
131.04919	4.8
135.04410	8.4
137.05992	100.0
139.03914	20.0
143.04979	4.6
145.06493	9.1
147.47905	3.9
149.02364	4.8
149.05943	4.4
151.03917	85.0
151.07535	20.7
157.06541	9.4
158.07211	4.5
160.05292	3.8
163.03922	3.7
165.05463	8.9
165.09146	7.0
167.07063	20.6
173.06030	9.8
174.06833	5.5
175.03958	4.4
181.04942	16.4
187.07494	3.8
188.08304	7.7
189.09097	19.6
191.06921	5.7
201.05606	4.5
201.09100	70.9
202.09875	14.5
203.10690	15.4
219.10156	9.1
231.10176	9.6
235.07471	5.6
247.07506	5.7
249.09059	6.8
262.10144	4.6
263.07031	5.2
277.08636	12.5
278.09650	5.2
290.09457	7.6
293.11877	7.1
298.08231	7.3
305.08090	6.2
306.08969	4.4
307.09503	5.8
319.09723	4.4
320.10202	4.9
321.11172	9.1
337.10806	7.4
339.12244	20.9
351.12280	46.1
357.13257	15.5
369.13394	41.9
387.14392	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
51.92458	1.1
53.03946	3.4
55.01867	3.4
58.62416	1.2
59.31643	1.2
65.03934	5.1
67.05507	2.8
68.99783	3.5
69.03413	2.1
69.07056	3.0
70.19457	1.5
70.19802	4.0
79.05482	4.4
81.03427	73.6
81.07052	1.6
85.02929	1.3
86.08154	1.3
91.05473	2.1
93.03400	5.6
95.04951	2.8
97.02898	2.2
97.06543	27.7
103.05465	1.5
105.07014	1.6
107.05000	1.7
111.04447	4.3
115.05465	9.5
117.07018	3.9
119.04915	2.1
121.02879	4.3
123.04449	19.4
129.07042	3.0
131.04962	8.1
135.04425	55.5
137.02341	1.6
137.05989	24.3
139.03915	57.1
143.04941	8.5
145.06509	7.1
145.10194	1.3
145.39728	1.2
147.04413	3.8
149.02361	100.0
151.03918	68.1
151.07445	2.7
157.06462	3.2
159.04375	4.2
161.05994	7.0
163.03934	5.9
165.01874	10.4
167.07060	2.5
171.04401	3.5
173.06003	13.4
175.03934	19.8
175.07608	2.4
181.04973	5.4
186.06749	1.6
187.03841	1.5
187.07593	3.0
189.05487	26.3
189.09088	3.2
201.05481	77.1
201.09064	8.0
202.06184	2.0
203.07040	31.8
203.10492	1.6
213.05368	1.7
217.05051	3.2
217.08609	2.5
219.06583	44.9
219.10089	25.2
231.06555	9.4
231.10110	2.0
235.07552	2.1
249.07619	3.7
263.07016	2.6
275.06973	1.4
277.08636	1.7
279.06635	1.4
293.08139	1.9
294.98157	1.5
298.04553	2.5
307.24951	1.5
308.06973	1.3
309.07602	2.2
311.09146	1.4
321.07883	2.5
323.09131	5.5
339.08664	5.7
339.12302	1.7
345.27441	1.5
351.08743	14.4
351.12454	2.6
369.09634	9.8
369.13470	4.2
387.14615	7.3
387.21640	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60596	1.0
56.96544	2.6
57.03429	1.7
61.02942	1.5
69.03419	3.4
69.96853	5.9
70.02934	1.4
70.06268	1.1
70.06603	15.0
71.04967	1.2
72.08150	4.7
74.02451	17.2
81.03411	2.2
81.04559	1.8
81.07053	2.0
84.04498	1.2
84.08170	5.4
85.02908	12.6
86.09692	1.3
88.03986	3.9
91.05499	1.9
92.04996	4.1
95.04966	1.5
97.02917	6.1
98.97614	5.5
109.02871	2.0
110.06057	100.0
110.97598	1.2
111.04450	1.9
112.07613	7.0
116.03495	1.2
116.07072	1.3
127.03941	2.3
129.10231	1.3
134.06018	6.6
140.07054	4.8
141.05463	1.2
143.08148	1.2
146.06017	2.1
150.05524	1.3
157.09763	1.6
161.07175	7.1
161.08235	1.1
162.05504	1.1
163.03903	3.0
177.00717	2.1
179.08191	10.4
179.11809	2.2
190.04991	1.6
207.07671	17.7
207.13739	5.5
213.15820	1.1
219.01715	1.8
223.04269	2.4
225.08749	57.4
225.12097	7.1
237.02744	2.3
256.38028	1.2
330.26947	1.1
369.16580	2.7
380.39413	1.2
387.16327	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	21.5
58.06615	3.0
58.42655	2.1
59.05009	3.2
60.04522	1.7
61.02924	5.3
69.03436	69.2
69.58127	4.6
69.58541	7.6
70.06600	3.2
71.04971	1.9
73.02918	4.6
75.04491	2.2
79.44979	1.8
81.03429	4.4
84.04498	2.8
84.08151	7.9
85.02911	100.0
87.04479	48.9
91.03975	1.9
91.05485	3.3
97.02293	4.2
97.02901	62.3
99.04470	3.4
103.03970	2.0
107.04923	2.3
109.02876	5.0
115.03299	1.9
115.03940	82.8
127.03925	18.0
133.04979	99.9
144.10223	7.6
144.93436	1.8
145.04965	45.6
145.10522	5.4
147.04407	2.1
150.07585	11.7
153.05458	4.2
154.38374	1.7
160.07535	4.2
163.06033	23.9
167.07025	2.6
169.04979	2.5
175.03926	2.4
179.06969	1.9
207.06599	6.3
207.10204	2.1
207.12354	1.8
224.12825	5.5
237.13315	6.2
241.07265	3.8
259.08133	3.7
277.09341	5.1
277.38968	1.8
295.10318	7.9
380.06400	2.0
386.18393	2.6
386.24487	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	386.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.01881	6.3
55.05525	6.5
57.03447	2.2
57.07065	2.1
59.05008	59.9
60.30513	1.4
62.76750	1.4
65.03917	1.7
67.05511	24.4
69.03447	2.2
69.07068	14.9
70.07738	4.8
70.08109	2.5
71.05001	18.2
77.59461	1.3
79.05499	12.6
81.03414	3.9
81.07067	14.5
83.04989	38.9
83.05471	2.6
84.62946	1.3
85.06551	2.7
87.04471	2.1
88.07636	2.4
91.05492	6.1
93.07048	25.2
95.04977	20.5
95.08609	11.4
96.85793	1.3
97.06538	5.8
97.10178	1.4
98.20934	2.3
105.07018	2.8
107.08613	4.8
108.75021	1.7
109.06506	1.7
109.10166	2.2
113.06021	74.7
119.08595	1.7
121.10154	43.3
128.35258	1.3
133.10117	2.3
139.11195	100.0
140.63933	1.2
151.11201	3.8
156.13858	16.1
157.12262	6.4
171.47316	1.6
173.00233	1.6
256.26389	6.0
300.92621	1.5
363.82214	1.6
386.25476	4.9
386.36444	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	387.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10221	1.0
53.00293	0.9
53.03939	3.0
53.16072	1.0
55.01859	4.1
55.82294	0.9
56.56131	1.0
57.07082	7.7
60.49497	1.0
65.03958	5.4
67.05506	1.8
68.99782	2.7
69.03423	3.5
69.07061	2.7
71.04977	1.2
75.56087	1.1
79.05487	3.8
81.03422	74.0
85.02916	2.6
91.05473	1.7
93.03397	4.2
95.01318	1.5
95.04955	2.6
97.02858	4.8
97.06534	26.3
103.05494	2.6
105.03412	1.1
105.04472	1.1
105.07028	1.9
107.04958	2.2
109.02888	2.9
111.04446	3.7
115.05450	8.4
117.03413	1.1
117.07018	2.8
119.04964	2.7
121.02874	3.9
122.03626	2.3
123.04433	20.0
127.03939	2.8
129.07007	3.3
131.04926	6.8
133.06477	1.4
135.04425	57.1
137.05977	32.8
139.03911	66.0
141.05478	11.6
143.04907	8.2
145.06473	5.9
147.04402	4.4
147.08034	2.0
149.02351	100.0
151.03911	63.5
151.07500	6.1
153.05446	1.3
157.06522	4.8
159.03011	1.0
159.04414	4.1
161.05986	7.0
161.09592	1.1
163.03937	6.5
165.01846	10.9
165.05513	3.8
167.07106	5.4
171.04404	2.2
172.08852	1.5
173.05978	11.2
175.03918	22.1
175.07527	4.0
176.04836	1.0
177.05507	1.2
179.08549	1.7
181.04950	7.0
183.06630	2.3
185.06029	2.0
187.07567	2.8
189.05479	29.2
189.09068	3.6
195.07950	1.4
201.05473	75.3
201.09155	3.7
202.06007	1.5
202.09889	1.0
203.07039	34.2
203.10646	2.0
205.08658	1.4
207.06401	1.4
213.05527	1.4
217.04976	2.4
217.08601	3.5
219.04408	2.3
219.06567	44.9
219.10092	26.9
223.07489	1.9
225.14870	1.4
229.04904	1.6
229.10605	2.4
231.06537	15.1
231.10049	1.8
235.07578	2.6
247.07567	1.8
249.07538	5.8
251.07083	1.1
263.07025	3.4
265.08661	1.1
275.07104	1.6
291.06409	1.5
293.08020	1.7
295.16251	1.0
298.04788	1.9
303.06729	1.4
311.09396	1.4
321.07532	3.1
321.11084	1.5
323.09109	3.1
333.07678	1.2
339.08603	7.5
339.12518	2.4
351.08603	12.8
351.12366	2.5
357.13214	3.2
369.09573	9.5
369.13474	2.7
387.10904	1.0
387.14523	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	386.1966
Annotation	Rubemamide
Peak:m/z	Relative Intensity
53.03943	0.2
55.01842	0.2
57.03420	0.2
70.77950	0.4
79.05502	1.6
79.64506	0.2
81.03421	0.2
87.88537	0.2
91.05474	1.2
92.06293	0.2
103.05473	1.9
104.06293	0.2
105.03413	0.4
105.07040	2.9
107.04948	0.6
118.04149	0.6
119.04947	1.9
120.05737	1.1
121.06512	0.4
129.07001	0.2
132.05711	2.7
133.02875	1.2
133.06509	2.2
134.07303	0.6
135.04439	1.7
135.08073	0.7
137.05974	0.8
146.03630	0.5
147.04398	1.0
148.05212	7.5
149.02361	0.8
149.05878	0.3
150.06775	3.7
151.07556	0.8
159.70134	0.2
160.05226	1.8
161.05969	0.4
163.07561	18.8
164.07811	0.2
165.05470	3.0
165.09128	7.2
166.05782	0.6
173.06133	0.2
176.04723	2.5
187.07553	0.2
189.09045	0.2
191.07047	100.0
192.07370	1.2
196.13370	0.9
201.05452	0.3
202.09390	0.3
217.08562	0.6
222.11276	0.5
339.12067	0.5
351.12149	0.4
353.29288	0.2
357.13162	0.2
369.13504	0.3
386.19669	3.6
387.14334	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.7
51.02386	0.6
53.03954	5.8
55.01884	0.4
67.05504	0.6
69.07079	0.5
69.47768	0.3
70.57112	1.1
74.09722	3.0
75.10034	0.6
77.03945	1.3
79.05482	0.8
81.03428	0.5
81.07056	0.6
92.52298	0.3
93.51154	0.3
95.02591	0.3
95.04987	5.7
95.08598	0.3
105.03407	100.0
105.04550	3.3
106.03718	0.5
119.71664	0.4
122.06039	5.7
148.07584	0.7
165.12752	0.4
178.07768	0.4
179.08560	1.5
189.06960	0.7
190.07751	1.9
191.08536	2.0
202.07780	1.1
203.08649	1.7
204.09381	0.3
205.06578	0.4
205.10104	0.6
207.08083	1.8
208.08713	0.4
217.06456	1.0
218.07289	10.1
219.08070	3.4
221.06017	1.1
221.09570	2.5
222.06757	0.5
222.10371	0.8
229.07669	0.5
231.08130	0.4
233.09639	51.1
234.10419	9.2
235.07578	9.5
235.10133	0.3
235.11093	0.5
236.08267	1.6
237.09149	0.4
248.10811	0.5
249.09230	1.0
250.09953	11.6
265.12277	15.9
290.39240	0.4
299.11685	0.3
313.11932	0.3
351.25287	0.6
354.14899	8.4
386.17505	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	386.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
57.03423	1.2
58.06591	1.8
61.02915	2.1
62.06104	0.6
69.03437	7.5
70.06586	1.6
71.15399	1.2
71.31277	0.6
79.05475	1.3
81.03416	2.9
81.85011	0.6
84.08141	2.7
85.02914	12.7
87.04451	1.0
91.05483	2.2
97.02896	5.2
99.04461	1.3
103.05488	4.6
105.07043	11.6
107.04966	1.5
109.02890	2.1
118.06556	4.8
119.60692	0.6
120.08115	10.2
127.03920	1.9
128.06198	1.9
130.06633	0.8
131.04935	1.8
131.08624	0.9
141.05421	1.6
143.08565	1.7
145.04953	1.8
145.11351	0.6
155.39127	0.6
160.11237	53.5
161.06087	0.7
165.08981	0.6
167.07013	1.1
175.07649	1.1
178.12285	44.6
179.12669	0.9
191.10732	0.8
193.08591	4.1
206.11765	7.7
207.13885	0.7
224.12828	100.0
225.13098	0.6
246.05231	0.8
248.12772	1.1
313.37286	0.6
350.16232	1.2
368.16925	0.9
386.10538	1.1
386.18079	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	386.1603
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
54.03476	0.8
55.04250	0.3
55.05515	0.8
57.07084	1.6
58.06611	1.2
68.05040	0.4
68.99803	1.0
69.03435	1.1
69.07073	0.7
69.72492	2.1
70.06601	100.0
71.05007	0.5
71.06946	0.7
72.08166	4.7
79.05506	0.7
81.03395	0.6
81.07063	0.9
81.84294	0.4
84.08157	3.0
85.02914	1.8
85.06561	0.8
86.09726	1.4
91.05488	1.8
93.07045	1.2
95.04946	0.7
95.08598	0.4
97.02912	1.0
98.21431	0.4
98.97590	0.4
103.05500	0.6
103.07629	0.4
105.07057	0.8
107.04953	0.8
107.08593	0.4
109.02878	0.9
110.07171	0.5
116.07168	0.4
119.04942	2.7
119.08610	0.5
121.06488	2.1
121.10093	0.6
123.04449	12.5
123.08009	0.4
127.03963	1.0
129.10252	0.4
131.04926	0.7
135.04431	2.0
136.07602	2.3
137.05984	1.1
145.10141	0.5
147.04410	6.8
149.06003	4.9
151.07567	0.5
159.04468	1.0
161.05907	0.9
163.04005	0.5
163.11212	1.1
165.05495	4.6
173.06065	0.5
175.14622	0.4
177.05487	59.3
178.05876	0.6
182.08134	1.0
183.49352	0.4
189.12814	0.7
206.81979	0.4
207.06519	0.9
207.13831	2.4
225.14798	0.9
231.65714	0.8
234.11273	3.8
247.11792	1.4
281.19284	0.7
302.68845	0.5
311.09277	0.5
329.10226	10.0
386.16010	49.7
387.16110	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1599
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
53.49522	0.4
54.03476	0.7
54.44977	0.3
55.04268	0.5
58.06600	0.8
60.04510	0.4
67.05516	0.4
68.89949	0.4
68.99796	0.9
69.03422	1.0
69.23389	3.5
70.06597	100.0
71.06943	0.9
72.08152	2.2
74.06065	0.4
79.05478	0.5
81.03427	0.8
81.07072	1.1
84.04556	0.4
84.08167	1.4
85.02908	1.4
86.06078	0.8
86.09711	1.2
91.05489	1.1
93.07044	0.9
95.04967	1.1
97.02901	0.5
103.05449	0.6
104.15582	0.4
105.07062	1.0
107.04981	1.2
110.07179	1.2
110.90656	0.4
117.07002	0.4
119.04963	1.9
120.04530	0.5
120.08151	0.4
120.49547	0.4
121.06498	2.0
121.10148	0.5
123.04438	9.7
127.03922	0.5
129.10275	0.6
131.04939	0.6
135.04436	2.0
137.06012	0.9
138.09138	0.6
147.04434	6.8
149.06003	4.3
149.09654	0.4
151.07594	0.5
159.04419	1.5
161.06001	1.0
161.13286	0.5
163.03725	0.4
165.05492	3.9
167.07068	0.7
175.07579	0.7
177.05476	53.3
178.05820	0.9
189.05644	0.5
207.06551	1.6
207.13707	0.5
212.62796	0.3
216.10686	0.4
219.65309	0.4
225.14905	1.0
234.11275	4.5
248.13033	0.4
279.08899	0.4
281.56146	0.4
297.09982	1.5
311.09048	0.5
312.12247	2.6
329.10220	11.1
350.28043	0.6
368.29279	0.4
376.06192	0.4
386.15994	56.3
387.16354	1.3
407.82050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64455	1.5
79.05491	0.7
81.07055	0.5
105.03345	0.5
125.06013	0.6
135.04436	22.6
145.06587	0.7
149.02336	2.0
151.07558	0.7
167.07059	2.5
175.10905	0.8
181.04990	5.2
193.04958	0.6
203.07072	0.7
215.06767	0.8
217.04771	3.9
218.05772	0.6
221.29343	0.5
232.07085	100.0
233.07869	26.7
234.08063	0.5
235.09702	0.8
237.24612	0.4
273.09747	2.6
274.10492	1.1
320.10529	0.5
322.12930	0.5
354.17984	0.9
355.11694	2.1
355.18787	1.3
385.12781	9.5
385.19861	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	386.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
58.06585	1.2
58.62833	0.3
64.58628	0.3
65.03935	0.9
68.05032	2.3
69.03440	0.4
69.78057	1.7
70.06598	2.8
71.04975	0.4
72.08133	0.6
73.37455	0.3
77.03931	0.4
80.05025	2.1
84.08160	0.4
85.02892	0.9
89.03912	0.6
91.05489	19.5
93.07079	0.4
95.04932	0.4
97.02930	0.3
98.06052	1.1
98.97578	0.6
103.05453	0.6
105.03387	0.9
110.07159	0.4
110.91579	0.3
114.05525	0.9
116.07092	0.5
119.04955	30.5
121.02898	0.3
123.04402	0.4
126.05527	1.1
129.03406	0.7
131.04897	0.5
132.02052	1.6
134.08179	0.4
136.05241	0.3
137.30115	0.3
144.06593	3.6
144.72346	0.3
145.02927	0.5
147.04420	27.2
148.04791	0.4
149.02353	0.7
157.03981	3.3
162.03067	0.4
162.07646	1.8
164.04681	0.7
175.03920	46.8
176.04269	0.5
177.05482	1.5
179.07060	2.0
180.08705	0.9
186.60741	0.3
207.06541	100.0
208.06795	1.1
368.13327	1.0
386.15915	2.1
387.16116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	0.8
66.92742	0.4
67.84899	0.5
69.82442	0.5
71.36808	1.0
71.37137	0.6
81.07072	0.7
113.92372	0.5
135.04424	2.5
149.02383	0.8
166.96555	0.5
167.07094	0.8
175.10945	0.9
181.05026	0.6
217.04759	4.1
232.07091	100.0
233.07858	19.6
273.09735	2.6
274.10492	1.1
329.06213	0.6
385.12704	1.8
385.19965	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	385.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32278	1.5
53.00385	1.6
53.03943	3.9
55.01865	3.2
55.05504	5.5
57.00244	1.4
57.03421	4.5
57.07069	2.6
65.03953	1.6
67.05511	9.8
68.99789	3.4
69.03086	2.8
69.03437	41.4
69.07076	13.7
69.25450	4.2
69.25873	10.6
71.01360	1.7
71.04994	4.7
72.51413	1.5
73.02903	3.8
79.05498	23.3
81.03413	7.6
81.07063	100.0
82.07393	1.5
83.04980	3.4
83.08613	2.9
85.02902	12.4
85.06546	2.1
86.09712	14.9
87.00835	9.9
87.10043	6.6
91.05489	14.2
93.07043	20.9
95.04967	6.1
95.08615	44.9
97.02901	11.9
97.06539	2.8
99.04439	2.5
105.01871	2.8
105.07045	17.2
107.04971	4.6
107.08606	18.9
109.02906	3.3
109.06516	6.6
109.10189	7.5
111.04463	4.2
111.08129	1.6
115.03931	3.5
115.05447	3.4
117.07035	8.1
119.08578	12.2
121.06512	5.3
121.10146	8.6
123.04478	2.4
123.08058	5.3
123.11669	2.7
123.74242	1.8
125.02394	1.8
125.05997	4.5
125.09615	1.7
127.03931	4.0
128.06261	3.1
129.06993	2.7
131.08591	10.5
132.10153	2.3
133.06503	3.8
133.10139	5.5
135.04410	1.8
135.08064	7.2
135.11674	2.4
137.05981	12.1
137.09625	4.9
137.13248	12.7
139.03906	3.9
139.07541	1.7
140.04721	1.6
142.07794	2.2
143.08572	6.0
145.10138	10.9
147.04388	1.6
147.08046	5.6
147.11694	6.0
149.09618	4.2
149.13274	5.8
151.03935	1.6
151.07550	10.7
153.09175	2.1
157.06459	3.2
157.10220	3.8
158.07256	3.0
159.02766	2.1
159.08067	3.7
159.11716	5.8
161.05963	2.1
161.09631	7.2
161.13297	3.6
163.07552	2.2
163.11179	13.7
165.05492	5.3
165.12778	3.8
166.05827	3.5
167.03424	14.7
167.07042	15.7
167.14357	1.9
173.06039	2.7
173.09612	11.8
173.13240	2.7
175.11133	2.2
175.14828	1.9
177.09142	2.5
177.12790	2.9
179.14380	2.1
181.04956	8.8
181.08560	2.8
185.13235	1.8
187.11211	1.6
188.08318	2.1
189.03998	1.9
189.09103	5.0
189.12827	2.4
191.10677	7.5
193.04926	2.1
194.05396	3.6
201.03967	7.3
201.05556	6.8
201.09120	6.7
202.09535	1.6
203.10663	3.5
203.14415	3.4
205.05022	6.2
205.12270	8.1
207.10188	5.1
209.11699	2.2
209.15421	2.5
217.15755	2.2
223.07617	3.3
223.13266	6.2
225.05473	1.8
227.14290	4.2
231.13663	1.7
245.15424	6.9
251.07057	1.8
263.06894	2.0
263.16486	6.3
275.36731	1.4
279.10266	2.2
281.17645	1.7
286.07486	2.2
293.08124	3.1
294.08762	1.7
314.07788	7.7
315.08459	4.6
321.15201	6.8
327.08554	2.3
337.10703	3.4
339.16330	2.4
342.06244	2.2
343.07196	2.1
349.16626	9.6
355.11606	7.5
357.08807	4.6
367.07394	2.9
367.11737	12.3
385.08121	16.2
385.12744	7.9
385.17456	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	385.186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82324	2.2
55.01864	2.5
55.05507	4.6
57.03425	3.3
59.71648	2.5
61.02925	5.8
67.00166	2.5
67.05511	3.9
69.03432	16.4
69.07070	3.9
69.65492	12.7
70.06609	13.5
71.04988	2.6
72.08139	6.4
73.02914	3.4
79.05488	5.2
81.03409	3.4
81.07057	5.1
83.04975	4.8
84.08146	6.0
85.02913	48.2
86.09694	8.2
87.04455	4.4
91.03928	3.4
91.05509	13.1
93.07051	16.2
95.04957	5.7
95.08603	7.8
97.02892	16.2
99.04443	6.4
105.03416	3.4
105.07030	14.2
107.04967	3.5
107.08565	7.5
109.02877	7.7
109.06495	7.3
109.10143	4.2
110.07170	3.4
111.08076	5.6
113.06031	4.1
117.07015	4.2
119.08614	13.4
121.06509	20.8
121.10155	22.5
123.04446	6.2
125.09638	14.4
126.54883	2.5
127.03904	10.2
129.10233	3.2
131.08575	8.1
135.08026	6.6
135.11690	4.3
137.05959	5.3
137.09633	17.9
139.07538	7.1
144.09401	4.1
145.04958	7.6
145.10129	10.9
147.08034	7.4
149.06003	5.4
149.09633	100.0
151.11198	4.7
159.08020	4.2
159.11671	15.2
161.09622	6.9
163.07520	3.7
163.11176	12.0
165.09079	8.7
167.07005	7.2
172.08803	8.0
175.11185	12.8
177.09085	4.9
177.12732	9.4
187.11183	41.5
189.12735	2.8
205.12262	81.0
223.13327	94.7
318.56348	2.6
328.32022	2.5
349.16458	2.9
385.13229	3.7
386.15854	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	385.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32278	1.5
53.00385	1.6
53.03943	3.9
55.01865	3.2
55.05504	5.5
57.00244	1.4
57.03421	4.5
57.07069	2.6
65.03953	1.6
67.05511	9.8
68.99789	3.4
69.03086	2.8
69.03437	41.4
69.07076	13.7
69.25450	4.2
69.25873	10.6
71.01360	1.7
71.04994	4.7
72.51413	1.5
73.02903	3.8
79.05498	23.3
81.03413	7.6
81.07063	100.0
82.07393	1.5
83.04980	3.4
83.08613	2.9
85.02902	12.4
85.06546	2.1
86.09712	14.9
87.00835	9.9
87.10043	6.6
91.05489	14.2
93.07043	20.9
95.04967	6.1
95.08615	44.9
97.02901	11.9
97.06539	2.8
99.04439	2.5
105.01871	2.8
105.07045	17.2
107.04971	4.6
107.08606	18.9
109.02906	3.3
109.06516	6.6
109.10189	7.5
111.04463	4.2
111.08129	1.6
115.03931	3.5
115.05447	3.4
117.07035	8.1
119.08578	12.2
121.06512	5.3
121.10146	8.6
123.04478	2.4
123.08058	5.3
123.11669	2.7
123.74242	1.8
125.02394	1.8
125.05997	4.5
125.09615	1.7
127.03931	4.0
128.06261	3.1
129.06993	2.7
131.08591	10.5
132.10153	2.3
133.06503	3.8
133.10139	5.5
135.04410	1.8
135.08064	7.2
135.11674	2.4
137.05981	12.1
137.09625	4.9
137.13248	12.7
139.03906	3.9
139.07541	1.7
140.04721	1.6
142.07794	2.2
143.08572	6.0
145.10138	10.9
147.04388	1.6
147.08046	5.6
147.11694	6.0
149.09618	4.2
149.13274	5.8
151.03935	1.6
151.07550	10.7
153.09175	2.1
157.06459	3.2
157.10220	3.8
158.07256	3.0
159.02766	2.1
159.08067	3.7
159.11716	5.8
161.05963	2.1
161.09631	7.2
161.13297	3.6
163.07552	2.2
163.11179	13.7
165.05492	5.3
165.12778	3.8
166.05827	3.5
167.03424	14.7
167.07042	15.7
167.14357	1.9
173.06039	2.7
173.09612	11.8
173.13240	2.7
175.11133	2.2
175.14828	1.9
177.09142	2.5
177.12790	2.9
179.14380	2.1
181.04956	8.8
181.08560	2.8
185.13235	1.8
187.11211	1.6
188.08318	2.1
189.03998	1.9
189.09103	5.0
189.12827	2.4
191.10677	7.5
193.04926	2.1
194.05396	3.6
201.03967	7.3
201.05556	6.8
201.09120	6.7
202.09535	1.6
203.10663	3.5
203.14415	3.4
205.05022	6.2
205.12270	8.1
207.10188	5.1
209.11699	2.2
209.15421	2.5
217.15755	2.2
223.07617	3.3
223.13266	6.2
225.05473	1.8
227.14290	4.2
231.13663	1.7
245.15424	6.9
251.07057	1.8
263.06894	2.0
263.16486	6.3
275.36731	1.4
279.10266	2.2
281.17645	1.7
286.07486	2.2
293.08124	3.1
294.08762	1.7
314.07788	7.7
315.08459	4.6
321.15201	6.8
327.08554	2.3
337.10703	3.4
339.16330	2.4
342.06244	2.2
343.07196	2.1
349.16626	9.6
355.11606	7.5
357.08807	4.6
367.07394	2.9
367.11737	12.3
385.08121	16.2
385.12744	7.9
385.17456	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	385.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01868	3.6
69.03445	2.5
69.07059	2.3
69.53279	4.2
69.53681	14.2
71.04979	3.0
76.20103	2.4
77.03940	2.9
79.05502	12.8
81.07040	7.6
85.02885	2.5
91.05480	12.6
93.07045	3.4
95.04943	4.0
95.08585	2.2
97.02910	2.6
97.06496	2.9
103.05460	3.6
105.07027	4.3
107.04960	26.5
107.08555	3.1
108.05708	3.2
109.02871	3.0
109.06549	4.7
115.05511	2.7
117.07012	2.7
119.04927	2.5
119.08611	2.9
121.06497	5.3
122.03703	2.6
123.04416	3.7
124.05192	3.9
125.05977	8.1
128.06183	4.2
129.06960	5.1
130.07756	2.9
131.04927	4.6
131.08557	12.3
133.06526	2.7
135.04433	53.1
136.05223	15.8
137.05957	7.4
139.07565	4.1
141.06981	5.1
144.05684	10.0
145.06496	8.4
147.04443	4.0
149.02341	2.4
151.03923	5.8
151.07555	99.6
153.05493	3.1
156.05705	22.2
157.06474	9.3
158.07271	8.5
159.04369	2.8
159.08073	18.9
161.06006	3.5
163.03972	3.2
163.07492	5.0
165.05482	6.0
165.09108	5.5
167.05634	4.5
167.07060	65.6
172.08847	3.4
173.05949	6.5
174.06689	7.5
175.07547	5.1
177.09119	4.7
179.07027	9.4
181.04982	15.0
181.08612	6.3
182.07364	4.1
186.06677	3.0
187.07527	14.7
188.08334	9.8
189.09105	14.8
190.06352	2.6
191.06975	7.9
193.08632	4.5
195.08115	4.6
201.05452	6.0
201.09096	32.0
202.06166	6.4
203.08798	3.0
203.10675	8.9
205.08563	15.2
207.06461	6.8
207.10106	2.5
210.06912	3.1
211.07547	11.4
212.08275	3.9
213.05383	3.9
215.07010	3.4
217.08633	45.2
218.07332	3.1
219.08081	4.8
219.10120	3.8
221.09720	5.3
223.07506	5.8
225.09074	6.2
229.08652	3.6
231.08116	4.9
231.10188	8.7
232.08817	4.3
233.09601	9.6
235.07521	4.4
237.09105	5.3
239.07007	7.8
240.07889	4.9
241.04893	3.6
241.08615	5.6
245.09792	2.8
247.07449	4.7
247.09613	27.7
248.08417	6.6
249.09109	15.0
251.10550	3.4
253.08577	30.4
255.06621	3.8
255.10149	14.2
256.07230	11.7
260.08307	4.6
261.09073	18.3
262.09793	3.7
263.07022	3.6
263.10599	8.4
264.07828	3.7
264.11267	3.8
265.08585	7.3
266.09430	12.5
267.06656	5.8
269.07999	6.5
271.09692	11.2
274.09695	3.9
275.07401	3.0
275.10690	12.9
276.11588	14.0
277.08701	16.9
277.11597	3.0
278.09320	6.6
279.10208	4.2
280.10901	4.0
281.11792	3.4
282.09259	4.7
283.09619	8.6
284.10495	7.3
285.07617	14.6
289.08438	2.7
290.09259	3.7
291.10159	12.1
292.07910	2.7
292.10898	13.5
293.08163	5.4
293.11526	4.4
294.08954	6.0
295.09778	3.4
295.13220	4.9
297.11234	4.3
299.09164	87.1
300.09799	12.8
303.10202	5.9
304.10898	7.5
305.08087	4.3
305.11639	7.2
306.08984	2.8
307.09732	4.5
307.13251	16.9
308.10394	3.9
309.11218	5.6
312.10092	3.5
314.11496	100.0
315.12238	38.9
319.09341	2.9
320.10406	7.1
321.11276	18.6
321.43939	2.6
323.09393	3.9
323.12750	15.1
324.13498	3.5
325.10660	14.8
327.12183	20.2
335.12720	37.0
336.13602	17.6
337.10760	11.4
339.12119	3.8
340.13098	16.0
352.13031	8.2
353.13992	5.8
355.11749	4.0
355.15381	21.8
367.11053	4.6
367.15402	70.1
385.12637	26.7
385.16513	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	385.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
58.39970	1.8
69.03436	2.8
69.83013	5.3
69.83414	3.2
79.05472	7.0
81.07075	4.6
85.02895	2.8
88.99605	1.8
91.05492	8.9
93.07062	3.6
95.04943	3.1
95.08626	2.3
95.27043	2.0
100.21633	1.9
105.07004	2.8
107.04961	11.8
107.08620	2.3
108.05769	4.0
109.02845	2.2
109.10173	2.3
115.05470	3.5
116.06232	2.3
121.06520	3.0
123.04504	2.3
124.05195	3.0
129.07002	3.7
131.08553	7.7
135.04434	21.1
136.05190	5.7
137.05971	4.6
139.07614	2.4
141.06970	2.2
144.05711	5.2
145.06477	3.7
147.04465	2.9
149.02359	62.9
149.03410	2.4
151.07558	100.0
156.05682	6.5
157.06474	2.7
158.07265	3.1
159.08057	4.6
161.06026	3.8
163.07439	1.9
165.05482	29.4
165.09131	4.4
167.07062	25.0
172.08704	1.9
173.06087	2.0
174.06750	2.8
175.04015	2.2
175.07553	1.8
179.07002	6.0
181.04926	5.5
187.07568	3.9
189.09206	11.3
191.07072	4.3
193.04988	60.4
197.06032	2.2
201.09113	5.3
202.06335	3.1
205.08612	4.9
209.06068	3.3
211.07437	4.2
217.08636	19.5
219.08167	3.3
219.10185	5.0
223.07413	2.1
225.05362	2.7
225.09138	3.0
231.10132	3.8
233.09735	3.8
241.04903	2.4
247.07536	3.5
247.09660	14.4
248.08424	4.6
249.09174	7.0
251.07079	2.8
253.08612	21.5
255.10139	6.0
256.07333	4.3
257.89743	2.0
261.09103	6.6
262.09900	2.8
263.10672	4.1
264.11490	2.3
266.09344	5.9
269.07898	2.6
270.09052	2.3
271.09689	5.7
274.10068	2.4
275.10660	4.5
277.08615	6.5
283.09540	2.2
284.10477	2.9
285.07626	5.8
289.08466	3.2
291.10165	7.1
292.10806	6.2
294.09009	4.1
295.13474	1.9
297.04135	2.5
299.09152	51.5
300.09689	2.7
303.10126	4.1
304.10971	3.3
305.08337	2.7
305.11578	3.3
307.13263	7.5
312.13855	2.2
313.06793	2.1
314.11487	61.7
315.12283	9.6
320.10428	3.6
321.11115	5.6
323.12781	4.9
325.10565	2.3
327.12241	10.3
335.12842	12.5
336.13672	5.7
337.10638	4.1
340.13028	10.2
341.06543	11.2
352.13086	2.2
353.14194	2.3
355.11545	2.9
355.15482	11.4
359.07635	6.3
367.11792	1.9
367.15466	32.1
385.09021	59.4
385.16840	24.9
385.25580	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	385.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09221	2.9
51.73138	2.9
55.05514	4.1
65.03974	3.6
67.05499	17.3
69.07077	8.6
71.04989	7.4
79.05503	21.6
81.07071	24.6
83.05009	4.5
85.06536	5.9
91.05503	31.8
91.96606	3.3
93.07039	15.0
94.04228	4.9
95.04968	7.2
95.06166	3.6
95.08595	9.6
105.07047	26.8
107.04982	6.3
107.08599	5.2
109.06533	7.5
111.87502	3.3
117.07001	20.0
119.06115	3.7
119.08604	17.8
122.03674	9.9
122.06055	4.7
123.08105	4.1
125.09689	3.3
126.75497	3.9
128.06226	7.9
129.07011	16.0
131.08585	28.2
133.06511	7.0
133.10139	14.5
135.04398	16.7
136.05217	5.8
137.05986	100.0
141.06966	5.6
143.08554	17.4
145.06512	9.6
145.10153	13.1
147.08093	6.0
147.11713	6.6
149.02357	10.1
151.03897	9.3
151.07579	19.8
157.06514	7.1
157.10156	12.8
159.08073	11.9
159.11678	19.9
165.01851	5.1
165.05463	9.9
166.06310	18.6
167.07022	4.1
169.10129	6.2
171.08014	4.6
173.05951	6.3
173.09659	4.2
173.13292	8.0
174.06790	6.4
175.07617	10.8
175.11107	4.5
181.04926	5.2
181.08621	41.1
182.57187	3.5
185.13277	5.0
187.07532	24.3
187.11176	6.4
188.08318	10.0
189.09146	18.7
193.05049	4.2
193.08730	4.1
196.08768	5.1
198.06807	8.8
199.14839	33.1
201.05444	9.7
201.09171	17.8
202.09891	27.2
203.07016	8.1
205.12288	6.5
208.36520	3.4
209.13286	4.4
211.07611	7.6
213.09041	4.8
217.08632	6.5
217.15915	10.1
218.09410	10.1
219.08165	7.7
219.10121	5.3
221.09566	4.2
227.14311	9.4
228.07716	4.8
230.09381	6.5
231.08102	7.0
231.10170	64.9
233.09712	5.2
233.11777	6.5
234.06769	5.4
235.07571	4.1
235.16936	10.2
239.06990	5.9
240.07864	13.4
241.08632	5.0
245.15385	15.3
247.07600	4.3
247.18947	4.5
248.08383	6.9
249.09128	12.4
256.07434	14.6
261.09015	7.3
261.11276	37.1
263.10724	7.5
264.07877	6.0
265.08658	8.3
266.09393	4.5
269.08026	6.9
270.08905	4.0
271.09738	22.2
274.09818	4.8
276.11545	8.6
277.08673	14.8
278.09372	12.7
279.09967	4.1
281.11713	10.3
283.09827	4.4
284.10529	13.1
289.08591	4.3
291.06815	5.9
291.10181	20.4
292.10971	10.2
293.08096	14.9
293.11703	18.5
294.08804	4.5
295.09564	5.6
297.11295	4.6
299.09171	28.4
304.07629	4.0
304.10898	13.6
305.08197	6.3
305.11737	11.2
306.08969	5.7
307.09671	6.2
308.10526	4.3
309.10883	16.2
314.11514	76.2
315.12115	8.0
320.10513	8.0
321.11240	28.6
323.12851	12.5
324.13528	27.1
325.10748	16.2
327.12256	11.2
335.12878	15.5
336.13608	46.9
337.10373	19.6
340.13110	46.8
341.13828	4.4
349.16504	15.7
352.13071	14.5
355.15356	21.3
367.15234	79.8
385.12671	12.0
385.16559	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	385.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17810	1.6
51.85897	1.5
60.24662	1.8
62.06081	2.0
63.92551	1.5
65.03944	1.7
67.05507	3.9
67.34838	1.6
69.03427	2.5
69.30793	3.2
69.31192	13.4
79.05499	3.5
81.07060	2.2
83.05030	1.8
91.05484	1.9
93.07022	1.9
105.07065	3.3
107.04933	2.3
107.08578	2.1
111.08153	1.8
118.67486	1.7
121.06512	3.0
122.03641	1.8
131.04990	2.3
135.04440	2.0
136.05215	2.6
137.06009	10.2
150.06779	4.9
150.61584	2.4
151.03926	55.6
151.05026	3.5
151.07535	19.7
165.05498	19.3
165.06747	2.6
165.09120	27.7
175.07600	2.9
177.09132	3.1
179.07063	4.0
180.09874	2.2
183.08040	4.0
184.93434	1.7
189.09175	4.9
193.06590	1.9
194.07278	2.9
195.08029	4.4
201.09207	3.4
207.08084	5.2
208.08897	3.2
209.06000	1.9
210.06706	4.1
211.07622	10.6
222.06773	3.2
223.07593	4.1
224.08412	4.2
225.09146	13.9
226.09976	3.4
231.07976	1.8
237.09155	4.2
238.09926	13.3
239.07071	19.4
239.10710	4.5
240.07841	1.6
241.08571	13.0
251.10625	7.5
253.08633	11.1
254.09444	22.6
255.10034	2.6
256.07422	1.7
261.09119	5.9
262.09933	2.3
267.06635	10.0
267.09857	2.1
268.10928	16.9
269.08188	8.9
269.11743	21.6
274.10034	2.3
275.10669	4.6
277.08621	3.1
278.09332	3.2
279.10138	7.7
282.08893	36.1
284.10477	23.6
285.11411	2.4
291.10294	9.9
292.11038	3.1
293.11673	2.9
296.10397	2.2
297.11249	100.0
299.12805	39.9
299.15698	1.1
303.10168	3.3
305.11761	6.2
307.13251	3.2
309.11261	6.7
314.11575	22.0
317.11856	2.8
318.12634	2.8
321.11209	5.8
322.12012	1.9
323.12790	4.1
325.14441	2.7
327.12271	3.0
334.11905	2.4
335.12958	3.5
336.13672	11.2
337.14319	6.8
349.14362	12.6
352.12976	2.0
353.13940	4.2
367.15515	25.9
370.14172	2.6
385.12967	1.8
385.16544	18.9
385.23434	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	385.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55570	1.3
57.02683	1.5
67.05504	1.8
69.03424	2.2
69.97288	6.9
75.04451	1.6
79.05465	2.0
79.55965	1.4
83.04973	2.1
83.65302	1.3
88.35901	1.3
89.01009	1.2
91.05521	2.7
94.59612	1.3
95.04964	1.3
103.05484	2.1
107.05013	1.5
117.40411	1.6
121.06494	2.9
122.03690	1.7
136.05307	2.2
137.05986	15.2
137.65613	1.7
149.06018	2.3
150.06789	6.3
151.03931	58.9
151.05035	6.0
151.07536	25.9
159.08069	1.6
165.05524	24.6
165.06860	3.4
165.09123	39.4
174.06912	1.6
175.07497	4.0
177.06940	1.5
177.09119	1.9
179.07066	6.6
183.08014	2.1
188.08377	1.6
189.09125	4.1
193.06557	1.7
194.07310	3.8
195.08081	3.8
196.08920	1.8
199.25175	1.5
201.09116	2.5
203.10742	1.8
205.06589	2.8
205.08592	2.3
207.08109	2.9
208.08830	4.1
210.06831	2.0
211.07581	9.8
217.12163	1.8
222.06717	2.2
223.07623	4.6
224.08362	3.0
225.09187	12.1
226.06415	2.5
226.09970	2.2
231.08145	1.7
232.08937	1.5
233.09369	1.7
236.08229	1.5
237.09106	5.2
238.09908	12.8
239.07071	25.1
239.09441	1.8
239.10675	3.2
241.08598	11.2
245.09755	3.4
247.07777	1.7
248.08315	2.0
251.10736	8.5
252.07840	2.0
253.08630	11.7
254.09401	18.5
255.10150	1.7
260.08325	2.2
261.09357	3.6
262.09976	3.5
263.10696	2.8
265.08676	2.9
267.06577	10.0
267.09946	3.6
268.10999	21.4
269.08136	13.3
269.11768	19.2
271.09708	2.9
273.09125	3.0
274.09952	2.9
275.10568	6.4
276.07770	2.8
277.08652	5.5
278.09467	2.4
279.10175	5.4
282.08884	39.6
283.09613	1.6
284.10464	29.4
285.11121	2.1
287.10422	1.5
289.08694	2.9
290.09451	3.2
291.10254	14.1
292.10876	3.8
293.11807	2.0
297.11249	100.0
298.11960	3.0
299.09357	2.3
299.12790	40.7
302.09286	1.6
303.10284	5.0
305.11786	12.4
306.08780	1.8
306.12201	2.2
307.09650	4.6
307.13083	2.3
309.11185	6.2
314.11462	22.7
317.11783	4.7
318.12668	4.5
319.09784	2.7
321.11154	12.5
322.11899	2.0
323.12851	5.7
327.12344	4.3
334.11984	2.5
335.12756	4.6
336.13547	16.0
337.14395	7.8
339.15756	3.5
349.14334	16.2
353.13834	5.4
355.15390	1.8
367.15421	32.4
385.16507	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1285
Annotation	Gancaonin D
Peak:m/z	Relative Intensity
51.41108	2.3
55.05508	2.8
65.03957	3.3
67.05511	3.0
68.64891	1.9
68.99787	5.8
69.52725	14.2
71.04980	4.3
79.05498	3.9
81.07061	5.5
83.04966	4.1
91.05490	6.5
93.07050	4.6
95.04982	2.9
95.08600	2.4
105.03438	2.2
105.07028	4.8
107.04949	5.6
109.02951	4.7
111.04482	5.6
115.05463	4.1
117.07027	2.8
119.08598	3.8
121.02855	6.2
121.06490	2.8
123.04476	2.8
128.06259	2.6
131.04900	2.9
131.08536	3.6
134.06046	4.8
135.04417	19.0
136.05147	3.6
137.02321	6.3
137.05989	6.3
138.57454	2.3
139.03912	12.2
143.04948	4.0
144.05707	2.8
145.06480	6.7
147.04472	2.8
147.07967	2.2
149.02368	9.4
151.03951	7.7
151.07561	60.2
151.11157	2.0
153.01846	17.9
157.06543	11.2
158.07298	13.4
159.04384	2.6
160.07681	4.2
161.06007	3.4
163.03996	3.2
165.09152	5.9
167.03415	98.0
167.07072	7.9
171.04480	7.2
171.08058	4.0
172.08858	6.1
173.06007	6.4
174.06758	5.0
175.03876	3.9
175.07591	4.1
177.09091	3.2
179.03310	3.8
179.07024	3.5
181.04982	9.0
181.06412	2.9
183.02954	2.6
183.08084	3.2
185.06180	2.4
186.06801	4.3
187.07524	8.5
188.08345	16.1
189.05504	3.5
189.09149	13.5
190.07683	2.4
191.03404	3.3
191.07047	5.5
193.06729	3.8
193.08646	3.5
195.08083	4.5
197.06108	3.4
198.06702	2.3
199.07613	2.9
201.05495	9.0
201.09126	90.3
202.08076	3.8
202.09897	15.9
203.10683	22.3
205.04967	34.2
205.06705	3.4
206.07288	2.9
207.02896	4.9
207.08081	5.2
209.04480	3.4
209.09616	5.8
212.08316	7.3
213.09145	6.4
215.07048	4.0
215.10628	2.7
217.04959	14.2
218.07458	2.7
219.08095	7.5
220.08820	5.8
221.09625	4.0
222.06720	3.1
223.07599	8.5
224.08295	2.9
225.05537	5.0
225.09082	3.2
231.08157	2.9
231.10117	13.8
233.06058	4.5
233.09648	5.3
234.06865	3.5
235.07617	8.5
235.16980	3.7
236.08351	3.8
237.05452	2.8
237.09175	7.1
238.06348	2.5
238.09822	3.0
239.07150	2.8
239.10741	3.7
240.07863	2.3
241.08704	4.6
247.07596	9.6
248.08377	9.5
249.09099	6.4
250.06241	2.6
250.09882	4.0
251.07077	5.2
253.12212	2.8
257.08105	9.5
259.07416	3.1
260.08487	3.5
261.09094	4.7
262.09888	3.9
263.07053	9.8
263.10779	4.7
264.07803	6.6
265.08603	8.2
267.06741	2.8
267.10156	4.1
268.07266	3.6
269.08182	3.5
271.05927	3.7
275.07004	7.0
276.07898	4.3
277.08566	10.3
278.05948	2.9
278.09476	9.8
279.06573	14.8
279.10168	7.0
281.08212	5.5
281.11618	3.3
284.06784	6.5
285.07520	10.0
288.07889	2.9
291.06519	11.1
291.10144	16.6
292.07285	3.9
293.08102	25.6
293.11719	6.3
294.08859	10.2
297.07632	5.1
300.06366	3.6
303.06519	2.3
304.07224	3.6
305.07986	10.1
306.08908	17.3
307.06064	6.8
307.09625	9.8
309.07550	5.2
309.11224	17.3
310.08374	4.8
314.07867	37.2
315.08624	20.6
318.08868	6.1
319.06567	2.5
319.09601	11.6
321.07605	9.7
321.11246	6.9
322.08389	7.7
323.09164	10.7
324.09903	4.1
325.10831	10.2
327.08646	7.5
334.08493	3.3
335.09198	6.2
336.09909	14.7
337.07050	3.8
337.10748	56.0
339.12213	2.6
340.09549	14.3
341.10291	5.0
349.10751	21.5
351.08295	2.9
352.09363	10.2
353.14078	3.5
355.11777	39.8
367.11801	100.0
385.12747	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1284
Annotation	Gancaonin D
Peak:m/z	Relative Intensity
51.81007	3.1
67.05499	3.9
68.99793	4.1
69.40714	9.3
69.41131	15.4
79.05482	5.2
83.05004	5.8
91.05484	6.4
107.04979	4.4
109.10164	4.9
111.04468	6.9
139.03896	4.9
141.07080	3.5
143.04863	3.4
145.06505	6.2
149.02321	6.2
151.05832	3.5
151.06374	4.6
151.07553	56.9
153.01849	16.3
157.06483	11.9
158.07272	7.0
161.05933	3.4
165.05473	4.2
165.09140	4.2
167.03415	93.2
169.06563	3.6
171.04405	6.9
171.08081	6.5
172.08841	6.9
173.05974	7.1
174.06805	6.7
177.09135	7.7
179.07071	6.0
182.94061	3.3
187.07596	4.8
188.08328	11.5
189.05443	4.0
189.09142	17.5
193.08662	4.1
201.05481	5.5
201.09113	81.8
202.08257	3.8
202.09802	19.0
203.08652	4.4
203.10680	20.9
205.04944	27.5
205.06607	5.0
206.07411	3.4
212.08264	5.2
213.09152	6.8
217.04956	19.7
217.91696	4.2
219.08150	5.8
220.08867	4.6
221.09753	4.6
223.07664	5.1
231.10197	10.9
235.07558	6.7
237.09210	6.7
238.96408	3.5
239.10626	4.8
240.27907	3.8
241.08559	4.4
247.07631	10.5
248.08354	7.7
251.07100	8.6
262.10092	3.5
263.07050	10.1
264.07867	3.8
265.08621	10.5
268.07098	4.7
269.07986	4.7
271.06125	4.5
275.07034	8.2
277.08636	9.0
278.09332	7.5
279.06500	10.2
279.09988	4.6
280.07172	4.1
281.08347	4.4
281.11700	6.8
285.07578	6.9
291.06854	6.7
291.10114	25.0
293.08115	25.8
294.08945	12.2
297.07593	5.3
297.11008	5.3
300.06259	4.6
305.08057	9.8
306.08838	14.0
307.06281	4.0
307.09631	12.1
308.06866	4.0
309.07913	4.9
309.11154	18.3
310.08249	5.5
314.07880	30.5
315.08633	17.5
319.09698	14.4
321.07532	10.2
321.11142	4.3
322.08298	8.6
323.09015	9.4
324.09912	5.8
325.10638	10.7
327.08511	6.2
335.09048	6.0
336.10068	9.5
337.07294	5.6
337.10773	48.4
340.09525	10.8
349.10693	21.8
352.09418	10.7
355.11807	47.4
367.11789	100.0
368.11771	4.8
385.12814	40.9
385.29471	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	385.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.9
55.05495	1.8
56.96560	2.9
65.03936	2.1
67.05521	2.9
68.99780	3.6
69.03411	3.0
71.52394	1.4
71.52784	1.9
72.08157	3.1
73.08624	1.5
78.18018	1.3
79.05476	4.3
81.03424	2.5
81.07073	1.3
83.01313	2.1
83.04918	1.3
85.02899	2.2
91.05471	4.0
93.03387	1.8
93.07088	2.1
95.05020	1.7
95.08627	1.5
97.02889	7.0
105.03413	1.5
107.04957	5.0
108.05798	1.6
109.02869	2.7
111.04443	3.0
115.05476	2.3
116.06239	1.6
117.07059	1.7
121.02858	2.7
121.06482	3.9
123.04436	6.4
125.02370	12.0
128.06250	2.0
128.80577	1.4
129.07031	3.9
131.04929	5.4
131.08556	2.5
135.04430	9.1
136.05177	2.0
137.02303	2.7
137.05980	4.6
137.08075	1.5
138.06563	1.2
141.06934	1.6
143.08664	1.6
144.05646	1.6
145.06477	21.4
146.07254	5.3
149.02373	4.5
151.03920	24.5
151.07550	49.9
153.07027	2.7
155.03418	3.8
157.06503	6.6
158.07307	9.4
159.08086	5.6
161.05963	5.2
165.01836	8.7
165.05498	13.5
165.06885	3.1
167.03435	35.4
167.08607	1.6
171.08075	4.9
172.08870	3.9
173.05997	7.4
174.06735	5.4
175.03983	1.8
175.07489	3.5
176.08322	6.0
177.09157	2.5
179.03430	2.9
180.05713	2.7
181.06474	7.4
181.10103	1.7
182.07304	2.7
183.08078	4.5
185.05902	1.5
186.06696	1.7
187.07518	7.1
188.08324	17.7
189.09116	100.0
191.03438	2.4
193.04961	2.2
195.08057	7.1
196.08838	30.6
197.05992	2.5
197.09514	1.9
199.07529	2.5
200.08337	2.9
201.09120	64.7
202.09854	16.2
203.06966	1.6
203.10660	14.6
209.09680	2.5
210.10533	1.9
211.07578	4.4
212.08308	9.5
213.09094	13.7
214.09856	1.5
215.07083	1.5
215.10709	4.7
216.07831	3.5
217.08658	3.2
219.08086	3.4
220.07253	1.9
223.07571	2.0
225.09160	1.9
226.09904	8.3
227.10661	31.9
228.11005	1.7
229.08658	1.6
231.08040	2.8
231.10188	36.3
233.09720	1.8
234.10364	4.3
235.07526	2.5
237.09131	1.9
238.09909	1.7
239.10684	5.2
241.12357	4.0
242.13197	1.7
243.10245	1.8
248.08353	1.8
249.09227	1.9
250.09865	3.8
251.07079	1.6
251.10599	2.0
253.12286	2.7
255.10103	3.4
260.08493	1.7
263.06995	2.3
263.10791	2.3
264.11526	1.6
265.08832	1.5
265.12292	4.3
267.10092	2.0
269.11752	3.8
270.12485	6.0
277.08463	2.4
278.09167	3.6
279.10144	1.9
279.18512	2.7
281.08890	1.6
281.11780	6.2
283.13214	2.2
291.10187	3.6
293.08047	1.7
293.11578	2.8
294.08984	2.0
295.08780	1.5
296.29721	2.3
309.11237	15.2
311.12766	3.3
319.09491	2.4
337.10773	8.4
339.12369	2.7
349.10626	3.1
355.11734	11.4
355.15686	2.6
357.13431	24.1
367.11581	12.7
385.12952	43.2
385.61615	1.7
386.13120	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	385.128
Annotation	Aristelegin A
Peak:m/z	Relative Intensity
50.01604	0.2
51.02361	0.5
53.03955	0.6
55.01863	0.3
57.03447	0.1
58.06586	0.1
58.84979	0.1
65.03933	0.3
67.05499	0.3
68.99786	0.1
69.03419	0.1
69.85888	0.4
70.06598	0.1
71.05393	0.1
77.03912	0.7
79.05499	3.3
81.03411	0.3
81.07064	0.2
82.04192	0.1
91.05502	0.4
93.03388	0.1
93.07050	0.1
95.01321	0.4
95.04964	1.0
97.02927	0.1
97.06506	0.1
103.05466	0.3
105.03410	1.2
105.04484	0.4
105.07033	0.1
107.04953	0.4
107.08624	0.1
109.02882	0.2
109.06542	0.1
110.03666	1.2
111.04439	0.1
111.08064	0.1
115.05481	0.7
117.07026	0.9
119.04975	0.1
119.08604	0.1
121.02872	0.1
121.06514	0.3
122.03717	0.1
123.04467	0.4
124.05234	0.4
125.02383	0.6
125.05998	3.4
128.06242	0.3
129.07016	1.0
131.04970	0.5
133.06453	0.1
135.04424	100.0
136.04723	0.7
137.02312	0.2
137.05991	0.3
138.03116	0.2
139.03871	0.1
139.07561	0.9
140.04779	0.1
142.64578	0.1
143.04927	0.6
144.05655	0.1
145.06479	1.2
146.07257	0.3
147.04411	0.3
147.08064	0.4
149.02353	5.4
149.05963	0.2
151.03969	0.4
151.07556	0.6
152.04633	0.1
153.05466	1.1
155.07132	0.2
157.06493	1.1
159.04405	0.4
159.08098	0.1
160.05180	0.2
161.05995	0.5
162.06781	0.1
163.03929	0.1
163.07573	0.1
165.05482	0.3
165.09113	0.1
167.07054	5.8
171.04391	0.2
173.05995	1.5
174.06783	0.8
175.03970	0.1
175.07614	0.6
176.08362	0.3
177.05484	0.2
177.09111	0.3
178.06230	0.1
179.03429	0.1
179.07071	0.4
179.10651	0.1
181.04968	21.9
182.05341	0.2
183.06598	0.1
185.05984	0.2
186.06772	0.2
187.07542	0.8
189.05479	0.3
189.09151	0.2
190.06259	0.6
191.07062	0.4
193.04964	0.6
194.05711	0.1
201.05476	1.4
201.07236	0.1
201.09187	0.2
201.12389	0.1
202.06198	0.1
203.07040	0.8
205.06728	0.1
205.08598	1.7
207.06528	0.7
207.08313	0.1
207.10089	0.4
211.06000	0.1
217.08667	0.2
220.07318	0.1
231.10136	0.1
233.08006	0.4
235.07578	0.2
235.09645	2.6
237.08826	0.1
247.07463	0.1
251.06921	0.1
263.06989	0.1
263.09299	0.1
265.08545	0.1
271.09766	0.1
278.09433	0.2
281.08160	0.1
287.09161	0.1
289.08844	0.1
291.09726	0.1
292.72903	0.1
293.08298	0.1
294.08859	0.1
295.09506	0.1
297.11423	0.2
299.09113	0.2
306.08936	0.1
307.09607	0.1
309.11124	0.2
310.08350	0.1
312.10016	0.1
313.10815	0.1
314.11545	0.2
323.09204	0.1
324.10114	0.1
325.10748	0.2
327.12225	0.2
335.08969	0.1
337.10745	0.2
339.12546	0.1
340.13055	0.1
343.11899	0.1
355.11768	7.7
367.11661	0.5
367.15375	0.1
385.12817	50.5
386.13141	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1285
Annotation	Sophoronol
Peak:m/z	Relative Intensity
55.01873	5.0
60.76373	1.3
66.62522	1.0
68.99798	3.0
69.03450	1.8
70.02530	6.5
79.05515	2.3
81.03439	2.0
81.07067	2.5
83.04972	2.0
85.02881	1.5
91.05478	3.3
93.03392	1.9
97.02901	5.3
105.03381	1.9
105.07039	2.0
107.04967	2.9
109.02880	2.7
111.04446	2.0
117.07012	2.2
121.02919	2.0
125.02393	6.2
125.04385	1.2
128.06248	2.8
129.07053	2.9
130.07921	1.4
131.04935	2.5
131.08574	1.1
133.06477	1.4
135.04449	4.3
137.02356	3.6
141.07033	2.0
144.05717	1.8
145.06497	15.6
146.07278	2.1
149.02379	3.4
151.03943	2.8
151.07556	11.9
155.03389	3.9
157.06497	10.3
158.07291	12.3
159.08069	5.1
161.06012	4.1
165.01863	1.3
167.03418	39.3
171.08102	3.4
172.08806	2.6
173.06029	5.5
174.06750	4.3
175.07616	2.2
176.08334	2.7
179.03413	2.0
179.08636	1.8
181.06546	6.1
182.07332	3.1
183.08130	3.6
184.08891	1.7
185.06027	1.5
186.06812	2.5
187.07578	5.1
188.08357	13.4
189.09131	65.3
190.09535	1.5
190.32944	1.2
193.97926	1.3
195.08125	3.6
196.08855	19.1
197.09608	1.3
199.07571	1.6
201.09129	100.0
202.09860	11.5
203.10661	15.8
207.08104	2.2
209.09618	1.9
211.07478	2.0
212.08362	4.9
213.09085	10.7
214.09793	1.5
215.07224	1.4
215.10709	4.2
216.07846	1.7
219.08150	2.7
222.10391	1.3
224.08415	1.4
225.09059	2.8
226.09927	6.8
227.10692	22.1
231.10170	25.8
231.12506	1.3
234.10512	2.1
235.07521	2.4
239.10716	3.7
241.12306	3.3
250.09935	1.6
251.07188	1.7
251.10635	2.0
253.12224	2.2
254.09369	1.4
255.10242	1.6
262.09991	1.5
263.10733	2.4
265.12292	1.9
267.10248	2.3
269.11752	2.5
270.12549	5.0
277.08679	1.7
278.09433	2.5
279.10248	1.3
281.11783	3.8
288.00018	1.4
291.10135	1.8
309.11169	11.2
311.12830	2.8
319.09497	1.8
325.10880	1.7
328.19672	1.3
337.10742	6.7
339.12167	2.0
355.11792	8.2
357.13342	19.5
367.11780	12.3
385.12817	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	385.1286
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
53.00303	0.6
53.03952	1.3
53.80351	0.7
55.05526	0.7
65.03941	4.0
66.04726	0.8
67.05495	2.2
68.99802	1.7
69.03431	1.5
70.06596	1.6
71.04993	1.0
71.53139	0.8
77.03927	1.4
79.05507	7.7
81.03435	1.4
81.07080	3.4
83.04980	0.7
85.02883	1.0
85.06548	1.2
91.05480	2.9
92.02615	0.7
93.03391	2.0
93.07059	1.9
94.04184	2.2
95.01361	1.6
95.04960	2.3
95.08627	2.0
97.06523	1.2
103.05492	1.7
105.03381	1.7
105.04539	1.0
105.07063	1.6
107.04960	2.5
107.08595	1.7
109.02881	1.7
109.06519	3.0
109.10169	1.0
111.04453	2.8
113.05988	0.8
115.05466	1.5
117.07010	1.7
119.04929	0.8
119.08575	0.9
121.02847	1.0
121.06529	1.7
121.10150	0.9
122.03650	3.5
123.04456	3.5
124.05240	1.4
125.05992	1.6
126.03192	1.0
131.04909	4.0
135.04425	43.4
137.05954	4.3
139.03941	1.2
139.07538	9.2
145.06496	1.5
146.07265	2.2
147.04443	0.8
147.19949	0.8
149.02356	71.8
149.09717	1.1
151.03922	6.9
151.07561	10.3
155.07045	4.1
157.06508	0.9
159.04663	0.8
161.05969	4.5
163.07439	0.7
164.02209	0.8
165.05486	85.5
166.05894	0.8
167.07074	12.3
173.05992	2.1
175.03874	0.9
175.07533	1.3
177.09149	9.7
179.07036	1.0
181.04967	10.0
181.08600	2.4
187.04019	1.0
189.05551	5.6
189.06975	1.0
189.09103	0.9
191.07077	1.3
193.08662	0.8
199.15031	0.7
201.05530	2.2
201.09183	2.2
203.07014	1.5
203.10640	0.9
205.08606	10.5
207.06540	2.0
217.05006	1.7
217.08620	1.9
222.06828	0.7
231.10190	1.2
233.07953	4.5
235.07553	0.9
235.09691	1.0
248.08368	1.0
263.07004	1.1
267.10229	2.1
277.08728	0.8
278.09396	2.0
280.77145	0.7
282.09052	0.8
291.10162	1.1
293.07999	0.9
294.08893	2.7
295.09473	1.1
299.09048	1.9
306.08829	1.0
309.07733	0.8
309.11255	1.7
314.11557	2.2
315.12238	1.1
324.09949	1.2
325.10687	3.1
327.12326	1.2
335.12857	1.1
337.10889	1.7
339.12521	1.1
355.11780	100.0
356.12128	1.7
367.15518	1.2
385.07986	1.6
385.12708	24.5
385.16843	2.4
389.41785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1282
Annotation	Sophoronol
Peak:m/z	Relative Intensity
52.27476	1.4
55.01881	4.4
55.55762	1.6
64.03406	1.4
65.03941	1.9
67.05508	3.5
68.99802	3.6
69.03415	2.6
70.69003	3.7
70.69366	1.6
72.08173	10.3
79.05489	2.8
81.03410	2.6
81.07062	3.0
82.40062	1.5
83.01363	2.4
85.02921	2.8
91.05485	4.9
91.06052	1.5
93.03387	1.7
93.07035	2.0
95.04970	4.5
96.65247	1.5
97.02908	6.0
103.05483	1.6
105.03381	1.8
105.07033	3.7
107.04961	4.2
107.08598	1.8
109.02880	1.5
111.04449	3.2
115.05486	2.1
117.07025	2.6
119.08590	2.8
121.06524	3.9
125.02361	10.5
128.06226	3.1
129.07043	3.6
131.04944	4.2
131.08626	1.8
132.05707	1.5
133.06537	2.4
135.04399	8.7
139.03870	2.1
143.08568	2.9
145.06487	21.6
146.07268	3.1
149.02344	4.8
151.03909	4.5
151.07547	23.1
152.06245	3.3
155.03427	3.2
157.06519	11.4
158.07314	9.4
159.08095	6.0
160.05255	2.2
161.06035	5.4
163.03935	3.1
165.05469	2.6
165.07016	2.0
167.03433	36.5
171.08098	6.3
172.08873	6.6
173.06041	6.4
174.06787	4.9
175.07535	2.7
176.08347	8.4
177.09201	2.5
178.07762	1.7
179.03456	3.0
181.05070	2.1
181.06523	6.1
182.07262	4.1
183.03026	2.4
183.08057	5.1
185.06079	2.2
187.07568	5.8
188.08363	18.8
189.09126	93.8
190.09529	2.3
191.03429	1.8
195.08044	4.8
196.08861	31.8
197.05870	1.9
199.07529	2.4
200.08327	2.3
201.09131	100.0
202.09900	10.4
203.10652	17.7
209.09637	3.4
211.07611	7.3
212.08400	7.0
213.09123	13.1
214.09949	2.0
215.10710	4.4
216.07780	1.9
219.08150	2.9
222.10553	1.8
223.07503	2.1
224.08385	1.7
225.09163	2.8
226.09869	11.1
227.10675	29.2
229.08623	2.1
231.10178	38.6
234.10501	2.4
235.07632	2.7
238.09799	2.4
239.10703	5.3
241.08498	2.1
241.12276	5.2
243.10248	3.6
247.07556	2.0
249.09019	2.2
250.09996	3.7
251.10942	2.0
253.12247	2.8
255.10194	4.0
263.07053	2.7
263.10849	2.6
265.08258	1.6
265.12265	3.9
269.11691	2.0
270.12573	5.9
278.09442	2.4
281.11774	4.3
283.13388	2.6
291.06512	1.9
291.10114	2.5
293.08167	2.9
293.11761	2.5
296.29547	10.2
297.29962	1.7
299.12802	2.5
306.08829	2.3
309.11240	13.1
311.12848	3.2
325.10565	2.3
327.12421	3.3
337.10757	7.9
355.11761	10.1
357.13376	26.5
367.11722	10.1
367.36844	4.3
368.37460	1.8
384.39618	4.4
385.12866	39.2
385.23929	8.3
385.40024	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	384.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
56.87577	0.2
57.03440	0.4
58.06599	0.4
67.05517	0.3
69.03433	0.7
69.07071	0.4
69.25480	0.2
70.06591	0.4
70.75108	0.6
71.04996	0.8
72.02997	0.2
72.08153	0.2
73.02917	1.0
79.05509	0.5
81.03455	0.3
81.07061	0.8
82.06587	0.5
83.04980	0.4
83.08635	2.1
84.08152	59.3
85.02921	1.2
85.08499	0.3
86.99069	0.2
88.04012	0.9
91.05502	0.4
93.07054	1.7
95.04986	0.7
95.08624	0.7
97.02903	0.5
99.04473	0.9
99.26227	0.2
101.09663	0.4
102.15890	0.2
105.01933	0.3
107.08604	0.6
109.02875	0.3
109.10169	0.5
110.07153	0.5
117.07059	0.3
119.07041	0.5
119.08607	0.3
121.06506	1.3
121.10178	0.5
123.04421	0.5
127.03922	0.6
128.34229	0.3
131.08569	0.2
137.06017	1.0
144.10211	100.0
145.10486	0.5
147.04449	0.5
149.06020	1.5
151.07559	0.4
159.11685	0.4
161.06038	0.5
163.03876	0.3
167.07101	1.0
169.12288	0.5
170.38023	0.2
175.07617	0.4
177.12819	0.5
187.13423	0.3
203.07193	0.3
205.08931	1.3
206.11725	1.3
216.22377	0.2
221.08174	0.5
222.11581	1.6
252.12346	9.3
322.23795	0.6
334.70193	0.3
384.16943	1.1
384.23871	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	385.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.0
55.01871	4.7
56.96570	1.3
57.03444	1.7
58.06614	2.0
61.02924	2.3
65.03932	1.8
67.05485	2.0
69.03437	3.1
70.06586	5.3
71.04992	2.4
71.52058	2.5
71.63152	1.2
72.08143	1.2
79.05499	7.1
81.03426	2.3
81.07078	7.0
84.08150	2.5
85.02911	11.0
86.09679	1.6
89.67553	1.2
91.05483	5.4
95.04974	3.8
97.02891	6.5
98.97588	3.4
99.04505	1.5
103.03969	1.3
103.05462	7.3
105.07039	59.1
107.04961	2.5
107.08612	1.4
109.02877	2.1
110.07179	1.6
111.04491	1.5
115.05467	15.1
118.04167	1.8
119.04893	1.7
123.04441	6.4
123.11810	2.9
127.03939	4.3
131.04961	3.8
132.05696	1.6
132.95815	2.8
133.06503	54.3
134.02766	1.5
135.04350	1.8
136.06157	7.0
143.04950	2.9
143.06046	3.8
145.05069	1.8
145.06506	5.4
147.04378	3.3
151.03928	16.4
151.05013	2.5
155.07106	3.2
157.06465	2.2
158.97437	3.7
160.07587	2.7
161.05992	100.0
162.06523	1.8
162.07796	4.7
163.03929	5.3
163.07652	2.8
165.05537	2.3
167.07059	22.2
169.12283	4.5
172.05281	1.5
173.06033	4.4
173.49825	1.6
175.03784	1.6
176.04976	1.3
177.05466	2.2
179.07132	2.5
181.05013	1.7
183.06496	2.8
186.03079	1.7
187.03934	1.9
187.07556	2.4
187.13341	6.1
189.05580	4.3
190.06322	3.4
191.07039	4.8
192.05058	2.3
193.08617	65.8
201.05484	3.5
203.07228	2.4
203.11853	1.6
204.12126	1.8
205.05052	2.0
205.08615	5.6
207.06586	8.0
212.49077	1.7
215.03548	1.4
215.07167	1.5
217.08670	2.1
219.06529	5.2
219.10341	1.9
221.08046	2.7
229.04996	4.2
231.06468	6.9
233.04428	7.4
233.08026	3.4
234.99017	3.5
235.06421	3.6
235.09628	2.1
243.06508	1.5
245.08130	2.7
247.06049	3.3
251.09175	27.1
251.11729	1.9
252.07251	8.5
253.07568	14.5
261.07596	11.2
263.09116	3.7
275.06140	1.7
275.09140	4.0
277.07111	2.1
279.08432	2.4
282.99051	2.2
289.07034	2.2
291.08560	1.6
293.10159	3.3
305.10126	2.4
307.08176	8.0
318.99069	3.2
319.07672	1.7
349.08752	1.5
367.01108	1.6
367.09998	2.3
367.17471	2.6
380.09561	2.0
385.02130	10.1
385.12149	7.2
385.16345	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	384.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	1.8
58.06587	1.9
59.61985	1.5
66.92057	1.5
67.05518	2.1
69.03433	2.0
69.07078	9.2
70.06593	2.8
70.43006	4.8
71.04996	13.3
79.05493	7.3
81.07067	47.0
83.04982	2.2
84.08144	1.8
85.02929	8.7
86.09704	1.8
93.07059	4.0
95.04942	2.8
95.06105	1.8
97.02905	2.3
97.06535	3.9
99.08107	3.1
100.07615	1.7
107.08594	6.6
109.06540	1.6
109.10166	10.4
110.07183	7.9
111.08049	1.9
111.11691	3.6
121.10152	1.8
123.11723	14.2
127.03953	1.8
133.07658	1.6
133.10159	2.4
139.11208	7.6
144.10225	1.9
147.04396	3.9
151.11191	19.1
157.12247	12.4
169.12234	19.3
187.13321	100.0
205.14384	9.2
338.20709	6.3
349.18411	1.7
384.21301	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	384.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75436	1.7
55.01842	2.0
58.06588	3.3
64.19965	1.8
67.05500	7.7
69.03427	7.3
69.07076	13.9
69.97049	9.1
70.06588	10.8
71.04995	4.4
71.82161	1.8
77.42606	2.3
78.73158	1.8
79.06435	2.2
81.07062	21.0
85.02900	7.0
85.06554	4.9
88.05594	2.0
93.07060	2.8
95.08611	13.6
97.02872	3.5
99.04494	10.5
106.03027	2.0
107.08601	8.9
109.06507	4.1
109.10170	65.3
111.08106	36.9
113.06026	3.9
113.09664	20.1
118.41295	2.0
123.11731	25.0
125.09651	21.4
127.03933	3.1
127.11214	54.9
133.10100	2.8
141.12735	4.1
151.11211	21.5
169.12250	100.0
187.13315	58.3
205.12434	3.4
205.14377	47.4
229.11862	5.1
386.91226	2.0
398.02393	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	384.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40899	1.2
55.01876	1.9
57.03436	1.3
57.54860	1.1
59.04995	5.8
60.23673	1.1
60.91360	1.1
61.02923	1.2
67.05491	2.5
69.03433	5.4
69.07076	7.9
70.66794	2.7
71.04997	14.4
73.02928	1.4
79.05505	5.8
81.03401	3.5
81.07062	41.1
82.07350	1.3
83.04978	3.0
85.02914	17.3
87.00813	4.0
87.04465	6.1
91.05463	1.3
93.07036	2.7
95.04953	1.5
95.06106	1.1
95.08609	1.5
97.02892	7.0
97.06518	4.5
97.10143	1.1
99.04452	2.0
99.08109	3.3
105.01871	5.0
107.08614	7.5
109.02846	4.5
109.10166	11.7
110.07174	6.0
111.08016	1.5
111.11705	4.3
119.07060	12.1
121.10164	2.7
123.11739	13.2
127.03946	6.0
133.10130	1.9
139.11169	7.4
145.04927	4.5
151.11186	20.2
157.12241	11.6
169.12241	22.3
187.13309	100.0
205.14403	14.4
213.03911	1.4
222.11298	2.0
231.05124	2.0
338.20743	3.4
349.18451	3.2
384.21286	10.9
390.88846	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.9
55.01878	6.3
55.05513	1.8
57.03442	6.4
61.02942	6.9
66.93333	1.5
68.77255	1.3
68.99795	2.8
69.03083	2.8
69.03440	37.1
69.03814	1.8
69.44128	5.1
69.44559	4.5
70.06606	2.7
71.04996	6.1
73.02929	6.6
81.02984	2.2
81.03433	24.7
84.08163	1.6
85.02918	100.0
86.09762	1.5
87.00848	45.9
87.04491	1.9
91.03967	3.1
93.07089	2.1
97.02905	36.8
97.06545	1.9
98.06039	1.5
99.04476	12.4
100.92751	1.4
105.01884	79.2
109.02893	29.7
117.01871	2.9
119.10719	5.1
127.03941	80.3
129.01845	4.0
145.04976	37.2
147.02965	2.6
153.05484	4.8
159.02925	16.1
187.11224	1.6
189.03993	3.6
193.60814	1.4
199.24316	1.4
205.12277	3.1
213.04001	5.4
231.05029	25.5
249.06053	9.5
330.05307	1.5
384.21075	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.05516	31.5
57.03448	1.2
65.03956	1.3
67.05499	2.3
69.03430	3.2
69.07079	1.7
70.06591	1.2
71.05003	18.8
71.37253	1.5
73.02911	0.9
79.05484	4.7
81.07064	20.0
83.04992	15.0
83.08643	2.4
84.08138	1.6
85.02913	7.5
93.07057	1.0
97.02915	2.7
97.06559	6.7
99.04511	1.4
104.92490	1.0
107.08593	6.6
109.06528	2.1
109.10172	7.1
113.05991	1.3
115.07624	0.9
123.11741	4.1
127.03907	2.7
127.11210	1.4
130.05002	3.1
131.07050	1.3
133.10123	2.0
144.10213	2.6
145.04996	1.2
147.04462	2.2
151.11200	9.9
169.12256	100.0
222.11546	1.4
366.17435	2.1
384.23529	1.0
385.17740	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	384.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
55.05510	1.0
56.05019	0.5
67.05507	0.6
69.03427	1.4
69.07073	8.9
71.38051	1.0
79.05516	1.1
81.03454	0.9
81.07051	1.2
84.08140	0.8
85.06590	0.5
85.89758	0.5
86.06133	0.6
86.09714	100.0
91.05479	1.5
93.07051	0.7
95.04990	1.0
96.26259	0.6
100.11313	1.0
105.03414	5.0
105.07060	1.1
107.08608	0.6
109.06547	0.6
119.04957	2.2
121.06492	2.5
121.73537	0.5
123.04459	2.2
128.10744	1.5
131.05040	0.5
131.08571	0.6
132.10219	19.7
133.75885	0.5
137.05954	0.8
143.63802	0.5
147.04431	7.7
149.06044	1.5
151.03906	3.4
161.06007	4.2
165.05496	22.7
175.03874	0.8
179.07037	0.6
189.05519	1.2
193.04984	37.6
207.06610	2.2
235.06163	2.0
252.08752	1.9
253.07190	1.6
274.14310	0.7
302.13916	1.2
320.14948	62.2
321.15323	1.3
338.15985	13.1
338.20056	0.9
348.14487	3.7
366.15579	5.2
384.16611	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	384.1155
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01883	1.8
56.96562	0.6
57.03452	2.2
58.06588	1.0
61.02918	0.6
61.50661	0.3
67.05515	0.4
69.03427	1.7
70.06604	1.8
70.18208	0.8
70.18607	0.8
71.01363	0.5
73.02927	1.0
79.05438	0.5
81.03410	0.5
81.07056	0.8
83.04974	0.5
84.08134	1.4
85.02924	2.4
91.05503	0.5
97.02892	1.2
98.97561	0.8
109.06517	0.4
109.10188	0.4
110.07159	1.1
121.05104	1.3
135.04420	0.6
135.06699	1.2
136.06198	18.1
137.04579	0.5
144.10211	1.1
145.05052	0.4
147.04439	0.5
148.06198	5.9
151.03900	0.9
151.11255	0.4
160.04834	0.5
160.06236	1.0
160.07587	1.1
161.05885	0.4
161.07925	1.5
162.07770	33.5
163.03909	1.3
165.05580	0.5
169.12207	1.5
187.13167	0.4
188.04057	0.9
188.05693	13.9
188.07365	0.9
188.09383	0.4
191.03131	0.4
191.83911	0.4
192.05190	15.3
203.11786	1.2
204.12155	3.6
206.05226	0.7
206.06816	6.2
210.04729	0.4
213.05521	0.5
214.05684	0.5
216.05367	0.7
218.05472	0.5
221.04393	0.7
222.04811	1.0
222.07617	0.5
231.25694	0.4
232.06744	0.5
233.04469	0.5
234.04076	0.5
234.06389	10.1
235.06181	0.4
248.06427	0.7
251.05576	1.1
252.07326	100.0
253.07590	1.2
260.06384	1.4
276.05972	0.6
278.07465	1.4
288.05923	1.4
300.05789	1.1
302.07480	0.8
306.06882	1.8
318.06931	1.2
330.06937	1.1
336.07959	0.9
348.07736	0.7
366.17484	6.6
384.11557	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	383.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.1
55.44360	5.7
56.84861	5.9
57.07083	9.1
67.05514	35.6
69.07069	24.3
69.26654	54.9
71.08662	13.4
72.92823	6.1
79.05502	14.4
81.07071	61.5
83.08627	17.7
91.05482	19.5
93.07056	20.9
95.08599	49.1
97.10197	15.3
105.07046	27.8
107.08607	28.7
109.10188	44.1
111.11704	6.3
119.08596	25.0
121.10201	12.7
123.11761	12.5
133.10130	13.6
135.11694	29.8
147.11742	48.1
149.13277	16.7
161.13278	44.5
165.21016	6.1
175.14850	14.3
189.16327	10.2
257.22812	8.9
383.32379	9.1
383.36810	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2584
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03935	6.5
55.01865	3.4
55.05522	11.9
57.03444	2.6
57.07069	10.9
59.04997	7.6
67.05508	26.2
69.03441	15.5
69.07069	12.6
69.24316	18.2
71.04999	6.7
79.05502	31.5
81.07065	39.3
83.04991	7.0
83.08577	2.3
85.06544	6.6
91.05494	44.2
93.07055	99.9
93.07640	4.8
95.04967	26.1
95.08619	38.4
97.06522	12.2
105.07046	78.1
107.08617	42.2
109.06516	19.7
109.10187	18.2
111.08100	8.1
115.05429	3.2
116.06261	5.2
117.07034	11.6
119.08592	49.2
121.06500	13.1
121.10165	45.6
123.08088	33.6
128.06236	8.1
129.06976	13.9
130.07806	7.3
131.08582	33.8
133.06499	9.1
133.10139	25.6
135.08072	22.3
135.11655	3.5
137.09633	8.9
141.07002	3.3
142.07802	22.0
143.08586	23.9
144.09370	5.7
145.06454	4.0
145.10141	35.5
146.07365	2.6
147.08051	26.1
147.11658	14.8
148.08873	4.3
149.09630	35.9
151.07576	34.4
151.11092	2.6
153.09172	5.1
155.08562	5.6
156.09346	11.2
157.10158	38.5
159.08083	8.3
159.11711	16.8
161.09647	19.6
161.13263	8.2
163.11197	10.4
165.09146	37.6
169.10153	7.1
170.10933	6.2
171.11713	8.7
173.09613	15.5
173.13260	7.2
174.10458	3.1
175.11250	18.7
175.14821	6.8
177.09148	13.1
178.09889	4.6
179.08614	3.7
180.09468	2.4
181.10138	5.5
183.11702	4.8
185.09692	4.2
185.13208	15.0
187.11229	9.0
189.12759	8.9
194.10947	2.6
195.11629	4.0
197.13231	6.4
199.11201	3.6
199.14932	4.9
201.12817	11.3
203.14339	26.5
207.12004	3.4
207.13829	13.2
208.12561	2.6
209.13412	5.0
209.15414	6.4
211.14865	3.7
213.12817	4.8
215.14250	6.4
216.15085	4.0
217.15706	2.7
219.13824	5.4
221.13309	5.2
221.15376	100.0
223.14845	4.1
225.12950	3.1
225.16705	2.6
227.14391	7.2
229.12158	4.6
231.13924	4.3
233.15427	4.1
234.16216	15.5
236.15768	3.1
237.14613	3.1
241.16042	2.8
267.17920	2.4
286.19281	3.2
287.20041	5.3
299.20181	4.6
301.91861	2.6
303.19608	11.5
365.24707	12.0
383.25851	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.8
54.68774	3.0
55.05514	15.9
57.07069	13.6
59.05012	3.8
61.53399	2.9
62.04018	2.7
67.05511	34.2
69.03443	14.1
69.07066	13.0
71.05006	4.7
74.99487	2.7
79.05495	29.7
81.07066	41.8
83.04976	9.0
83.08616	5.5
85.06548	6.4
91.05491	39.6
93.07051	100.0
95.04982	22.5
95.08620	40.2
96.27113	3.0
97.06554	16.8
105.07039	68.5
107.04890	3.8
107.08604	43.9
109.06531	27.0
109.10185	20.1
111.04453	4.5
111.08074	8.2
117.07009	14.4
119.08594	42.6
121.06527	14.1
121.10150	49.2
123.08088	34.1
125.05997	7.5
128.06233	8.0
129.07010	11.5
130.07816	5.6
131.08578	39.3
133.06531	6.6
133.10149	33.8
135.08081	28.1
135.11684	7.8
137.06035	15.4
137.09607	9.6
141.07005	5.1
142.07793	13.1
143.08586	21.0
144.09349	7.0
145.10139	35.3
147.08069	26.9
147.11684	14.2
148.08852	8.0
149.09634	39.5
150.55765	3.4
151.07555	38.5
153.12784	3.4
155.08623	8.4
156.09372	10.0
157.10146	37.3
159.08086	5.3
159.11699	17.4
161.09624	24.0
161.13286	9.1
163.07648	3.5
163.11197	10.0
165.09128	37.9
170.10861	5.2
171.11766	9.0
172.08911	3.7
173.09688	9.4
173.13261	11.6
175.11201	21.8
175.14871	6.1
177.09100	13.0
179.14302	5.3
181.10072	4.0
181.12265	7.1
182.10851	3.8
183.11786	7.3
185.09641	6.7
185.13266	14.3
187.11172	8.5
189.12743	8.7
194.10870	4.6
195.11710	7.1
197.13332	3.3
199.11229	4.1
199.14777	4.6
201.12784	11.6
203.14349	35.2
207.11887	4.1
207.13805	11.1
209.13422	6.8
209.15288	5.1
213.12831	7.5
215.14308	8.2
216.15117	4.6
219.13863	7.4
221.13661	3.2
221.15385	91.2
225.16368	3.6
227.14368	7.7
233.15395	7.2
234.16119	24.5
271.15158	4.8
277.18280	4.6
281.19095	5.6
286.19308	5.1
287.20007	6.8
299.20151	5.0
303.19501	9.3
347.23434	4.7
349.27643	7.1
365.24521	14.8
383.25800	95.6
384.26401	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	383.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.7
55.05526	4.5
57.03447	3.5
57.07071	1.6
67.05182	0.9
67.05511	11.0
68.04958	0.7
69.07067	5.4
70.45894	1.6
70.46291	1.5
79.05501	5.9
81.07065	23.9
83.04981	2.3
83.08620	2.8
86.78418	0.6
91.05502	3.3
93.07074	5.3
95.04948	0.8
95.08609	5.6
97.06528	1.9
98.20630	0.5
100.99010	0.6
105.07049	3.3
107.04941	0.7
107.08625	3.8
109.06534	10.4
109.10174	7.3
109.41726	0.6
111.04457	16.5
111.08106	1.8
113.05986	0.7
119.08588	4.8
121.06512	0.7
121.10181	4.0
123.08093	2.6
123.11741	1.9
125.06016	7.2
125.82412	0.7
131.08574	2.3
133.10168	4.4
135.04408	0.8
135.08086	2.9
135.11702	3.8
137.05992	100.0
137.13284	1.7
143.08510	1.1
145.10132	2.0
147.08038	0.8
147.11699	6.5
149.09666	3.7
149.13277	1.1
151.07571	3.3
151.11179	1.3
153.96979	0.6
156.53073	0.6
157.10153	2.4
159.11678	1.6
161.09653	5.5
161.13298	2.5
163.11200	2.9
163.14819	1.4
165.09169	2.3
165.12712	0.8
171.11697	1.7
173.11783	1.5
173.13239	0.7
175.11176	4.3
175.14833	0.8
177.41437	0.7
179.10674	1.8
189.12714	0.9
193.12234	1.2
193.48505	0.8
203.17992	6.4
213.16440	3.8
221.19069	1.4
231.17464	8.2
241.15884	1.1
249.18532	10.7
277.18024	81.4
278.18277	0.8
295.19092	11.2
312.09885	1.8
328.48297	0.7
340.40143	0.7
351.21628	7.7
365.13864	1.0
371.79733	0.8
383.24307	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	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
52.82961	2.9
53.03938	6.1
55.01874	3.6
55.05505	13.8
56.19891	2.9
57.07073	10.9
59.04995	5.4
60.61044	2.6
65.03940	3.7
66.92690	3.0
67.05182	3.5
67.05509	40.7
69.03423	17.2
69.07063	11.6
70.06270	6.7
70.06649	6.1
71.04976	8.4
71.22334	3.4
71.42400	2.8
72.09992	2.8
74.12242	3.1
79.05506	27.9
81.07069	41.3
83.04984	8.8
83.08607	8.2
85.06564	8.6
91.05489	51.6
93.06481	5.6
93.07054	99.6
95.04975	26.5
95.06004	2.8
95.08622	42.9
97.06530	18.2
105.07048	87.0
107.05010	3.5
107.08603	61.1
109.06526	26.1
109.10170	29.3
111.08076	11.3
115.05486	3.8
117.07026	11.8
119.06079	3.3
119.08607	57.9
121.06541	15.2
121.10150	51.1
122.07319	4.3
123.08060	34.4
123.11713	3.7
125.05984	4.0
125.09635	4.6
128.06238	8.8
129.07007	18.3
130.07828	5.1
131.08569	34.0
133.06506	8.6
133.10132	32.1
135.08044	24.3
135.11667	4.7
137.05972	11.4
137.09628	12.1
139.11195	3.3
141.07011	6.3
142.07808	22.4
143.08566	30.5
144.09337	9.0
145.06506	3.4
145.10132	46.0
147.08070	25.8
147.11714	16.4
148.08875	4.3
149.09657	26.2
151.07559	44.4
155.08548	10.1
156.09355	10.8
157.08931	5.1
157.10144	43.2
158.10823	3.6
159.08072	10.3
159.11708	25.4
160.08893	4.2
161.09644	26.4
161.13264	8.9
163.11201	9.2
165.09128	36.1
167.08652	4.2
167.10689	3.6
169.10141	10.0
170.10907	4.0
171.11731	10.7
171.51634	3.8
172.08916	4.9
173.09633	13.4
173.13306	12.0
175.11230	28.6
175.14821	5.4
177.09146	9.0
179.08540	4.4
180.09302	3.3
181.10040	4.2
181.12282	6.9
182.11026	3.9
183.11752	11.1
185.09685	3.6
185.13284	18.5
187.11131	8.6
187.14810	5.7
189.12752	9.1
191.14284	4.9
194.10930	3.5
195.13753	2.9
195.15538	3.0
197.13289	11.2
199.11264	6.6
201.12766	12.1
203.14275	25.8
207.12024	3.8
207.13832	13.7
209.13245	9.1
209.15175	7.0
211.11234	4.6
211.14909	3.9
213.12843	6.8
214.62521	3.9
215.14397	17.8
219.13805	4.1
221.13469	5.8
221.15393	92.9
225.12759	5.1
225.16542	5.2
227.14403	8.2
231.13811	4.5
233.13260	4.0
233.15424	9.0
234.14014	4.4
234.16147	14.9
261.66986	3.0
263.17987	4.9
267.69717	3.0
281.19098	4.3
286.19263	5.9
287.20090	12.6
299.19986	5.4
303.19537	9.8
327.19681	3.8
328.79727	3.4
329.22687	3.6
347.23862	4.9
365.24655	20.2
383.25854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96960	0.6
53.03934	0.6
55.01889	0.9
55.05503	2.5
57.03426	1.5
61.02933	0.8
67.05515	4.7
68.05034	0.7
69.03414	1.2
69.07069	2.1
70.06602	1.2
71.52612	1.2
73.65767	0.6
74.09700	0.6
78.23042	0.6
79.05499	4.0
80.05014	1.2
81.03435	1.1
81.07073	4.2
82.06580	0.9
83.08618	1.5
84.08136	0.7
85.02906	1.4
85.06519	0.9
88.03984	1.0
91.05460	3.4
93.07054	4.9
94.06563	1.4
95.04980	1.6
95.08609	3.2
96.08140	1.1
97.02887	1.6
97.06548	1.9
98.06067	1.6
98.09675	1.1
99.04445	0.7
99.08102	0.7
100.11258	2.0
105.07021	2.7
107.04974	1.0
107.08600	2.4
108.08124	2.3
109.06509	0.7
109.08910	1.3
109.10148	3.3
110.09668	3.1
111.08122	1.0
114.05554	3.3
115.05486	1.1
117.07030	2.4
118.06558	25.8
119.08582	2.1
121.10124	1.9
121.93858	0.7
122.09717	1.2
123.10478	1.3
123.11727	1.0
124.11264	1.0
130.06546	8.3
131.08585	1.2
133.10130	1.2
135.11708	2.8
137.06015	1.2
140.07056	0.7
142.06543	2.2
143.07304	2.5
143.08469	0.8
144.08105	17.0
145.10072	1.1
146.06027	72.7
147.06432	0.7
149.02354	1.9
150.02742	0.9
150.12776	3.5
151.07600	1.0
152.14359	88.0
153.14673	0.8
154.15903	1.3
156.08102	0.7
156.10194	1.0
156.13921	1.4
157.10172	0.7
157.14221	1.1
159.11768	0.7
160.07568	1.0
161.06024	0.9
161.09634	0.8
164.14354	1.3
165.07921	0.9
170.06003	5.5
178.15950	2.0
182.15517	0.9
184.11259	2.2
184.13385	1.1
185.13823	0.7
188.07089	54.0
189.07506	0.8
193.05026	1.2
194.05431	1.8
196.16991	48.0
199.07632	0.7
208.13348	3.0
210.14909	9.9
254.17543	8.5
256.07443	1.1
257.07733	2.0
259.08389	1.3
260.08954	1.1
267.09109	0.9
268.09479	1.3
285.10135	1.1
289.08923	0.6
291.19427	1.0
299.05273	1.2
319.57053	0.7
339.20703	40.9
340.21167	0.9
351.65262	0.8
383.14951	4.5
383.23325	100.0
384.23706	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	383.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
55.05510	1.6
58.56429	0.6
59.41176	0.6
62.03418	0.5
67.05515	4.2
69.03431	1.1
69.07061	1.4
71.04997	0.6
71.52785	0.6
79.05496	2.8
79.84010	0.5
80.05024	2.2
81.03395	1.5
81.07068	3.1
82.06580	0.7
83.08628	0.7
85.02871	0.6
85.06514	0.7
86.06070	0.9
88.03972	1.3
91.05485	2.8
91.52122	0.6
93.07045	3.7
95.04994	0.9
95.08652	1.4
96.08114	0.9
97.06532	1.9
98.06065	7.0
105.07047	2.2
107.08601	2.4
108.08111	1.4
109.10136	2.3
110.09669	2.3
114.05537	3.5
115.05431	1.1
116.07095	1.1
117.07026	2.1
118.06554	23.2
119.08568	1.6
121.10136	0.8
122.09734	1.4
124.11233	0.8
125.05957	0.8
130.06552	8.9
133.10132	1.5
135.11707	2.6
136.11201	0.7
137.05896	0.8
138.05507	1.4
142.06560	1.9
143.07292	2.5
144.04474	0.7
144.08099	15.3
145.10077	0.7
146.06026	65.6
149.09676	0.9
149.13228	0.7
150.12814	3.0
152.14359	61.0
160.07617	1.0
161.06085	0.7
161.09612	0.7
164.14322	0.9
165.01924	0.7
165.07840	1.2
169.07677	0.8
170.06035	5.0
177.05621	0.6
178.15950	1.8
184.11281	1.2
188.07089	52.1
196.16988	29.8
199.07642	1.0
201.09181	0.6
208.13347	2.3
210.14915	7.1
221.10751	0.8
239.79874	0.6
254.17511	9.4
256.07364	0.9
257.07788	2.0
267.11395	1.7
269.08188	0.6
299.05710	1.0
339.20706	27.3
383.10843	1.7
383.14987	4.3
383.23318	100.0
384.23593	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.01857	0.9
55.05501	2.9
57.07066	1.7
67.05519	8.7
68.99812	1.6
69.03414	2.2
69.07062	1.8
70.06594	1.8
71.52518	1.1
72.08138	1.3
76.90005	0.9
79.05495	5.2
80.05002	1.6
81.03387	1.9
81.07066	6.9
82.06588	1.0
83.04992	1.1
83.08601	1.4
84.08054	0.8
85.02883	1.3
86.06048	1.1
91.05477	4.0
93.07050	5.9
95.04950	2.1
95.08610	2.3
97.06519	3.3
97.10200	1.3
98.06056	1.8
99.04429	1.2
105.07060	4.5
107.04989	1.1
107.08598	3.6
107.27634	0.9
108.08175	1.0
109.02842	1.4
109.08934	1.1
109.10177	6.0
110.09673	2.2
111.08138	1.1
114.05518	3.9
116.07089	2.3
117.07016	3.4
118.06554	26.1
119.08566	3.2
121.06498	1.0
121.10136	3.8
122.09689	1.4
123.11700	1.1
124.11239	1.3
129.07024	1.0
130.06528	7.2
133.10112	1.8
135.04526	1.4
135.11690	2.4
137.06038	1.5
142.06543	2.3
143.07304	3.4
143.08553	1.5
144.08105	17.3
145.06448	1.5
145.10130	3.1
146.06021	71.5
147.06409	0.9
147.11714	2.1
150.12759	2.0
151.07489	1.2
152.14357	88.7
154.15823	1.1
159.08061	1.5
159.11620	1.1
160.07585	1.3
163.04016	1.2
170.06024	3.9
173.05968	1.1
173.09633	2.5
173.11768	1.2
178.15958	1.3
184.11246	1.6
185.04608	1.1
187.11287	1.5
188.07086	53.0
196.16983	53.9
199.07465	1.7
201.09177	1.0
208.13336	1.7
210.14877	5.1
226.06090	1.1
233.11763	1.1
251.18338	1.7
254.17488	10.2
256.07272	1.8
257.07742	4.0
269.08105	1.6
272.15845	0.9
285.42465	1.1
297.19159	1.4
299.05353	1.6
339.20670	20.4
383.14838	7.7
383.23306	100.0
384.23877	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	383.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.5
58.06603	46.2
67.40697	0.5
69.03415	1.2
70.06595	3.2
70.74628	0.7
70.74993	1.3
72.08127	0.7
81.03426	0.6
85.02912	2.0
88.07644	0.6
93.28575	0.5
93.98421	0.5
98.97536	0.7
110.07149	0.9
115.05423	0.8
122.06084	0.5
127.03938	1.0
130.06541	2.4
132.08083	2.2
134.06079	1.1
143.01949	0.5
146.06007	9.1
148.03926	3.2
148.07570	3.2
149.37383	0.5
157.07623	3.4
158.06033	4.9
159.06799	0.9
160.07590	38.5
161.07956	2.2
162.05611	0.5
172.07661	1.1
173.07123	0.6
176.07085	30.0
188.09448	8.2
190.68370	0.5
202.11024	3.1
203.08386	4.1
203.11801	73.2
204.06691	0.7
204.12158	0.8
221.12843	12.9
297.09979	0.6
315.10980	0.5
324.13452	0.9
338.12354	2.2
365.17102	100.0
366.17358	2.4
383.18076	35.1
384.18484	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12923	3.2
52.43491	3.8
53.03941	11.6
55.01859	16.7
55.05516	23.8
56.76928	3.6
57.03419	10.5
57.07060	5.4
61.02919	8.6
67.05504	26.3
68.99789	9.8
69.03091	7.0
69.03435	82.0
69.07056	14.7
70.06579	3.9
71.04997	59.3
73.02924	7.6
79.05499	42.6
81.03423	67.1
81.07061	61.0
83.04971	14.0
83.08622	5.8
84.08074	4.0
85.02905	42.4
85.06537	11.6
87.00830	22.7
91.05489	55.8
93.07053	71.3
95.04967	22.7
95.08610	23.6
97.02905	35.9
97.06528	17.3
99.04458	8.7
99.08109	23.7
103.03924	5.4
103.05466	7.3
105.01888	7.0
105.07044	100.0
107.04964	19.5
107.08599	53.4
109.02861	11.5
109.06525	35.8
109.10155	20.6
111.04430	12.9
111.08094	5.9
113.06043	4.3
115.03939	9.8
115.05454	9.8
115.36932	3.3
117.07026	29.4
119.04961	24.3
119.08588	52.9
121.06494	31.5
121.10155	25.7
123.04419	7.4
123.08067	16.7
123.11709	12.8
125.09688	3.8
127.03922	13.4
127.07555	30.5
128.06223	12.4
129.01852	5.4
129.07008	15.3
130.07779	6.3
131.04921	7.7
131.08575	34.3
133.06490	14.8
133.10165	26.2
135.04445	4.4
135.08054	21.3
135.11679	28.3
137.06015	22.4
137.09625	8.2
143.07045	5.4
143.08554	21.6
144.09309	5.1
145.06447	12.3
145.07495	5.6
145.10126	69.8
146.06029	12.3
147.08055	24.0
147.11710	32.0
149.06015	5.4
149.09633	9.9
149.13181	3.9
151.07538	7.8
151.11157	22.7
152.14363	6.7
153.12743	4.1
154.07736	4.1
155.08553	12.6
156.09392	4.5
157.06514	8.1
157.10135	8.4
158.07228	5.2
159.02846	5.7
159.08049	16.6
159.11676	22.1
161.05936	9.2
161.09639	10.7
161.13257	6.4
163.07549	5.4
163.11200	32.5
165.09134	4.9
165.12791	20.9
169.10117	6.4
171.08070	15.6
171.11665	9.8
173.09633	70.8
173.13298	4.9
175.07555	24.7
175.11215	12.0
177.12823	19.9
179.10681	7.2
179.14221	8.8
183.08070	6.7
187.11232	17.2
188.07002	8.2
189.03912	4.3
189.09087	15.1
189.12747	11.5
191.10681	34.7
193.08598	5.7
193.12296	7.2
197.13373	4.8
201.03911	22.7
201.09052	11.3
201.12772	9.1
203.10255	3.7
205.12265	24.0
207.13737	9.8
209.11742	12.4
215.10677	14.2
215.14320	8.4
219.13799	10.0
225.12787	5.4
231.05037	4.7
233.11746	14.6
233.15262	8.4
243.13773	33.7
251.12907	5.3
261.14880	40.2
279.15991	18.9
291.10062	5.3
297.73416	4.9
299.05481	8.6
347.14828	23.3
355.11679	5.3
365.16034	25.9
377.23331	3.7
383.16916	30.8
383.23145	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	383.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.9
53.03943	5.2
54.75651	2.4
55.01879	9.9
55.05502	8.1
57.03431	9.8
59.05000	2.1
61.02924	4.4
62.86069	2.4
64.61471	2.2
65.03953	2.7
67.05509	15.1
68.99773	3.2
69.03083	4.3
69.03431	47.5
69.07064	7.5
69.57964	12.8
71.04985	8.2
73.02912	2.7
79.05499	26.5
81.03429	22.1
81.07059	35.8
83.04977	10.9
85.00566	2.2
85.02443	2.7
85.02917	37.1
87.00830	16.6
87.04444	2.8
91.05489	29.3
93.07050	95.1
95.04971	19.3
95.08618	27.7
97.02897	20.6
97.06516	11.6
99.04429	4.5
105.01871	4.0
105.07037	63.5
107.04946	6.2
107.08601	100.0
109.02875	9.2
109.06522	10.5
109.10146	6.5
111.04445	8.9
115.03903	6.2
117.01791	2.6
117.07010	9.6
119.04903	3.2
119.08588	29.0
121.06515	16.4
121.10148	24.1
123.04453	3.9
123.08074	8.9
123.11716	4.5
125.06008	5.2
127.03917	9.4
128.06232	2.6
129.01828	5.7
129.07027	5.9
130.57480	2.5
131.08586	21.3
133.06488	6.9
133.10146	23.5
135.08043	7.2
135.11699	44.7
137.05998	5.6
137.13234	4.8
139.07544	3.3
142.07794	5.0
143.08569	9.4
144.09294	3.0
145.06512	6.3
145.10150	24.7
147.08049	8.8
147.11716	27.4
149.05933	3.3
149.09616	6.7
149.13281	4.4
151.11142	4.8
153.05473	3.4
155.08534	7.0
156.09386	3.2
157.10146	11.2
158.07161	2.3
159.02870	5.4
159.08028	6.8
159.11688	13.3
161.09654	5.3
161.13242	5.4
163.07527	2.6
163.11188	43.1
165.12766	23.4
169.10094	4.2
171.08052	3.0
171.11668	4.7
173.09584	8.2
175.11143	12.6
177.12730	14.6
181.12135	1.9
183.08081	2.7
183.11749	3.2
185.09644	3.8
187.11201	7.3
187.14920	2.8
189.12758	8.7
191.10707	2.3
193.12280	15.3
197.13257	4.5
201.03967	9.4
201.12758	8.0
203.14381	4.8
204.13203	3.5
205.12294	4.1
207.13960	3.2
209.11693	2.9
213.12805	5.1
215.10690	2.3
215.14330	14.7
219.13850	9.3
221.15401	3.7
223.13127	2.4
225.12804	6.1
231.13882	6.2
233.15305	4.9
237.14948	2.2
243.13806	34.3
245.08040	2.8
261.14877	69.6
271.76691	2.1
279.15900	11.3
287.63559	2.1
297.16870	2.2
299.05481	5.7
303.17755	4.1
308.28357	2.1
319.09460	2.4
321.16785	4.4
347.14914	30.9
365.11639	3.2
365.16028	23.1
365.20444	3.7
383.17450	22.6
383.22244	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	383.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	10.3
55.01884	12.6
55.05518	21.8
57.03429	6.9
57.07071	3.1
59.04992	4.8
61.02925	3.8
61.16135	1.9
65.03943	3.0
67.05512	14.8
68.99784	9.3
69.03439	95.0
69.07073	10.6
71.01363	4.0
71.05002	49.5
71.44467	3.9
73.02899	3.9
74.56692	1.9
79.05501	31.7
81.03426	100.0
81.07062	47.2
83.04965	6.8
85.02421	3.4
85.02911	37.5
85.06561	2.9
87.00388	2.3
87.00845	29.8
87.04439	2.1
91.05493	37.1
93.07056	47.0
95.01329	6.6
95.04968	20.6
95.08614	21.1
95.18527	1.8
97.02904	30.8
97.06549	5.0
99.04475	10.3
99.08109	26.7
103.03940	3.3
103.05461	6.8
105.01864	6.5
105.07043	57.8
107.04971	13.7
107.08601	46.0
109.02914	10.8
109.06527	29.0
109.10184	20.0
111.04448	10.6
111.08132	3.2
113.05932	3.5
115.03922	6.6
115.05437	6.3
117.07047	20.4
119.04948	15.0
119.08600	39.5
121.06535	24.4
121.10130	19.1
123.04431	10.9
123.08092	18.7
123.11729	12.3
127.03942	13.7
127.07568	43.7
127.11185	3.1
128.06218	9.5
129.01865	5.3
129.07007	14.5
130.07780	7.7
131.04886	3.1
131.08591	21.8
133.06490	12.6
133.10149	20.0
135.08092	12.8
135.11714	19.2
137.05963	8.3
137.09618	9.0
137.13255	4.6
141.07034	3.3
143.08568	17.0
145.06483	6.8
145.10136	33.6
147.08060	24.0
147.11711	18.1
149.05977	3.8
149.09607	4.8
151.07596	12.0
151.11188	22.8
153.07021	3.6
155.08563	11.7
156.09328	2.6
157.04980	4.7
157.06488	6.3
157.10150	7.3
158.07286	3.4
159.02931	5.4
159.08072	8.8
159.11671	12.5
161.09616	7.5
161.13298	3.0
163.07559	3.9
163.11180	13.9
165.09152	3.6
165.12784	23.3
171.08060	15.2
171.11694	7.2
173.09628	52.3
173.13234	4.3
175.07564	22.5
175.11221	12.2
177.09109	2.6
177.12729	21.2
179.14336	5.1
183.08037	5.6
183.11699	3.8
187.06059	2.8
187.11124	5.2
189.04041	4.4
189.09148	20.2
189.12787	8.1
191.10713	30.2
193.12230	9.4
197.13258	4.1
201.02122	3.1
201.03937	22.9
201.09131	9.5
201.12750	6.8
204.68732	2.2
205.12292	6.4
207.10280	2.7
207.13750	3.0
209.11755	4.5
215.14293	9.4
219.13821	8.7
225.12758	6.5
231.04973	4.7
231.13666	2.2
233.15314	6.3
237.14944	2.8
243.13828	33.6
261.14865	30.9
279.15909	17.3
297.09799	2.7
321.17126	5.8
347.14917	23.4
365.16025	22.7
383.12152	2.3
383.17120	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	383.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	1.0
66.15689	0.9
67.05518	1.7
69.07060	1.0
70.11057	3.0
79.05491	3.4
81.07063	2.8
83.11860	1.0
85.02943	1.4
91.05486	3.7
93.06999	1.0
94.04179	6.5
103.05448	2.7
105.07052	10.0
107.04941	1.5
109.06519	3.3
115.05470	3.7
119.08588	1.4
119.70026	1.0
122.03662	11.0
128.06241	2.4
131.04948	1.5
133.06458	4.8
137.05994	100.0
141.07031	1.5
144.45630	1.0
145.06491	1.3
146.03629	3.5
147.04425	1.5
147.08000	1.0
161.06000	37.9
167.07068	1.8
167.50162	0.9
171.08069	1.8
175.07552	1.3
178.07654	1.1
184.05235	3.5
187.07549	1.5
191.08647	3.2
192.09387	1.7
199.07570	25.9
202.07788	13.3
203.08589	22.6
204.09319	1.9
205.06514	1.9
215.08673	1.8
218.07257	1.1
219.08078	7.9
220.08888	7.2
221.09578	1.1
230.07428	1.0
231.08089	26.8
232.08829	7.1
233.05992	1.5
233.09750	1.1
235.07620	1.2
235.11208	1.1
247.07637	4.7
248.08383	16.7
248.17526	0.9
249.09137	3.3
258.06754	1.9
259.07602	23.8
260.08316	14.3
261.09125	2.2
262.09955	2.0
263.10678	15.6
265.08575	2.2
265.27930	1.1
274.10001	1.2
275.07047	2.5
276.07870	10.7
277.08658	6.1
280.10748	1.1
291.10193	72.2
292.10928	9.2
293.08176	4.4
295.13321	2.4
305.08032	1.5
308.10226	2.0
323.12820	29.4
383.10962	1.5
383.15054	1.4
383.24167	1.9
394.91446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47972	0.8
51.92527	0.9
59.23749	0.9
67.05502	3.3
69.86908	3.6
79.05495	3.0
84.61385	0.8
91.05495	2.1
95.04969	1.8
98.20831	1.2
107.04945	4.1
109.06521	1.3
109.10072	0.8
115.05470	0.9
121.06539	0.9
129.06990	2.1
131.08591	1.8
133.06502	1.0
135.04445	3.7
136.05209	6.4
137.05937	1.1
141.06976	1.6
144.05724	2.5
145.06470	2.6
151.07552	44.7
157.06429	1.2
158.07220	1.2
159.08073	3.7
161.06029	1.2
163.03925	1.1
165.05487	31.8
165.06812	1.1
165.09113	2.9
169.06425	1.2
172.05157	1.1
172.08817	1.4
173.06029	2.0
174.06824	2.5
175.07542	1.3
177.05505	1.8
177.09190	0.9
179.07095	4.9
181.06519	1.0
186.06828	1.6
187.07545	5.8
188.04663	1.5
188.08368	2.7
189.09128	4.8
189.56490	0.9
191.06976	2.5
191.10632	0.9
193.04935	1.7
193.08618	1.2
196.05247	1.1
197.05922	1.2
200.04727	2.9
201.09100	4.8
203.07004	7.0
203.08676	1.3
203.10677	2.7
205.04973	2.2
211.07588	3.7
213.09129	2.0
215.07028	20.5
217.08603	3.0
218.07187	1.1
221.09700	2.4
221.93172	0.9
224.04726	1.5
229.08603	1.2
231.08029	3.1
231.10086	1.7
232.06941	6.9
233.07796	1.5
233.09731	1.9
237.09140	1.3
238.06200	6.4
239.07048	5.9
241.08600	4.5
245.08075	9.9
247.07552	1.8
248.08377	1.5
249.09157	4.1
251.07097	0.9
252.07759	1.2
253.08621	1.7
254.05748	2.8
255.06441	2.7
255.10269	2.1
259.07544	1.0
260.08377	1.6
261.09103	4.9
263.10678	3.3
265.08633	2.3
267.06497	14.0
268.07343	3.0
269.08115	16.3
275.07144	2.0
275.10635	2.5
276.08011	1.5
276.11523	3.4
277.08566	5.3
279.06516	1.0
281.08005	4.3
282.08856	10.2
283.06110	2.9
283.09378	1.6
284.97336	1.0
285.07578	17.5
288.07544	1.0
289.08636	2.0
290.09457	1.7
291.07181	0.9
291.10123	4.5
292.08087	1.0
292.11029	5.4
293.08322	1.5
295.09940	1.1
297.07593	30.2
298.08411	4.9
303.10095	5.2
304.07510	1.5
304.10944	2.0
305.08270	2.1
305.11624	1.0
306.08926	1.7
307.09674	3.2
307.13318	3.5
309.07504	1.5
310.08279	3.7
312.09927	100.0
313.10641	17.4
318.08994	0.9
319.09592	11.8
320.06860	1.2
320.10471	2.8
321.11215	1.5
322.12076	1.8
323.09271	1.1
323.12857	2.3
325.10788	15.4
325.14359	1.7
333.11227	6.4
334.11954	16.5
334.15582	1.4
335.09088	3.5
335.12796	8.2
337.10492	1.4
338.11310	4.6
339.12286	1.4
349.10651	1.8
350.11548	6.0
353.13849	10.4
355.15280	2.1
365.13864	41.9
383.14862	21.7
383.19238	1.7
383.23566	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14969	0.3
56.96571	5.8
69.38982	1.1
69.39413	1.1
69.62496	0.3
71.95263	1.9
74.18100	0.3
92.62782	0.2
98.97592	100.0
116.98630	37.9
134.99677	9.1
140.00217	0.9
140.61142	0.3
147.32799	0.3
153.00714	0.5
174.97716	0.4
181.97437	0.3
189.00357	0.4
207.01353	0.7
216.98732	1.4
217.98853	0.5
219.02060	0.5
234.99779	1.7
235.99921	0.4
240.98647	5.8
256.96686	0.6
257.96918	0.6
258.99789	70.2
259.99969	1.8
260.51422	0.3
261.00092	0.4
261.03067	0.3
265.09576	0.3
273.94376	0.3
274.97577	1.3
275.97855	0.4
277.00842	67.9
278.01086	1.6
282.01413	1.1
283.00037	1.0
295.02060	0.6
298.97784	0.5
299.97961	1.2
300.02411	1.1
301.01071	1.0
316.98853	0.7
317.99005	2.0
341.98999	1.2
358.99799	0.5
360.00137	1.8
360.16644	0.4
360.99619	0.4
378.17505	1.3
382.99826	2.5
401.01062	7.0
402.01260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	2.5
58.06607	21.0
61.02924	1.9
69.03431	3.8
69.26019	9.0
70.06592	3.1
73.02928	1.1
80.61698	0.8
81.03432	2.1
84.08140	1.3
85.02917	10.2
88.07620	1.0
94.06586	1.4
94.31685	0.8
97.02907	3.9
102.09721	0.8
109.02885	1.0
118.06496	1.3
130.06535	17.6
132.04454	4.1
132.08087	2.6
134.06041	1.1
142.06483	1.3
144.08125	6.1
145.06631	1.2
145.07616	6.4
146.06041	13.1
148.03993	1.2
148.07582	3.1
154.06482	1.0
156.08023	1.0
157.07632	16.2
158.06026	18.2
159.06808	1.2
159.09190	2.8
160.07596	40.1
169.07596	1.9
170.06105	1.8
171.09151	2.0
172.07587	3.8
174.05478	2.1
175.08678	16.8
176.07085	15.9
182.08389	1.1
183.09206	5.4
184.06212	1.1
185.07101	2.6
186.05525	2.2
186.11600	1.2
187.08646	2.2
188.07043	1.3
188.09462	7.7
197.07175	0.9
199.08722	3.2
200.07132	5.6
202.10999	3.6
203.08179	30.1
203.11804	73.4
204.06572	1.2
209.07162	2.5
215.08115	1.1
217.09727	9.7
221.09242	15.5
221.12799	7.7
227.08179	2.6
228.06708	1.0
231.07704	2.4
245.09222	7.3
253.11159	3.0
263.10309	13.6
271.12213	1.5
297.10269	1.6
299.10236	1.9
315.11179	1.3
322.12839	2.4
329.11337	1.9
338.12012	1.1
347.12460	3.2
348.10825	3.7
365.13434	9.4
365.17163	100.0
366.17535	1.8
383.14301	6.8
383.18454	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10305	0.3
53.03934	0.4
55.01889	0.3
55.05519	2.6
55.23196	0.3
57.07073	0.4
67.05504	3.1
68.05038	2.8
69.07075	6.8
70.06595	13.1
70.49031	0.2
70.64146	0.7
70.64489	0.4
77.03913	0.3
78.61780	0.3
79.05492	4.3
80.05011	0.6
81.05791	0.3
81.06597	0.3
81.07063	6.4
83.08617	1.5
91.04967	0.5
91.05489	5.3
93.07046	8.4
94.06550	1.4
95.04955	0.5
95.08611	7.1
96.08139	3.1
98.06058	0.9
100.07623	4.9
103.05512	0.6
105.04515	0.3
105.07040	18.4
106.06539	0.8
107.07374	0.3
107.08598	6.5
108.08135	1.4
109.10152	3.2
114.05534	4.7
116.06344	0.6
116.07104	7.1
117.07063	1.8
118.06579	0.4
119.08589	14.1
120.08119	4.2
121.08874	0.4
121.10139	4.8
122.09686	2.2
123.11709	1.2
128.06206	0.8
128.07080	5.0
129.06978	1.6
130.07785	0.5
131.08574	4.9
132.08066	1.0
133.08896	1.0
133.10124	6.6
134.09637	2.0
135.11714	1.0
136.11230	1.3
137.05946	0.3
139.69855	0.3
140.07101	0.4
140.10683	0.3
141.07002	0.6
142.07776	1.1
143.08600	3.5
144.09351	0.7
145.10130	8.1
146.09630	1.5
147.10515	0.5
147.11685	4.0
148.11215	8.0
149.12006	0.8
149.13187	0.6
151.06271	1.6
154.08636	1.6
155.08600	1.7
156.09328	1.3
157.10159	3.9
159.11691	4.1
160.11237	0.9
161.13251	1.5
161.89740	0.3
162.12823	0.6
163.14824	0.5
164.07126	1.0
166.08604	1.0
166.12239	0.5
167.08598	0.4
168.10225	17.5
169.10132	1.9
170.10880	0.5
171.11685	4.1
173.13280	2.2
174.12799	0.5
175.14835	3.4
177.16400	2.1
178.08646	5.1
179.09456	0.6
180.10066	0.4
181.10085	0.5
182.10826	0.4
183.11717	1.7
185.13286	3.2
186.12723	0.5
187.14874	1.1
188.14316	0.4
189.16399	1.5
192.10219	3.4
193.10797	0.3
194.11786	13.9
195.11761	0.5
197.13301	3.0
199.14850	1.9
200.14175	0.4
201.16414	0.9
206.11766	1.5
208.13335	0.6
211.14783	2.3
213.16399	1.0
220.13347	0.5
224.68895	0.4
225.16193	0.4
230.11823	0.6
232.13414	0.8
233.14163	0.3
234.14870	1.9
237.16412	1.9
241.19508	1.1
244.13461	0.4
246.14937	0.8
258.14716	0.3
260.16647	0.3
267.21085	1.7
269.22681	0.9
290.21115	4.4
312.19666	0.3
322.25256	0.3
338.28607	0.3
352.22800	0.4
361.26868	0.3
367.25104	0.5
382.27423	100.0
383.27771	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	382.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
55.05503	1.7
56.05025	1.8
57.03426	1.8
58.06583	1.4
59.04994	2.9
60.04519	3.3
63.78352	1.0
67.05495	4.3
69.03426	4.3
69.07057	2.1
70.06598	6.0
71.05002	6.2
71.51762	1.4
72.08153	2.0
73.02934	1.2
79.05493	5.6
81.03416	2.5
81.07056	15.0
84.08149	71.5
85.02919	6.6
86.09708	10.1
87.05582	1.1
91.05477	3.3
93.06580	1.0
93.07060	11.2
95.04955	3.8
95.08618	5.5
97.02875	4.1
97.06541	2.5
99.04460	1.4
99.08076	5.6
100.02219	1.6
105.01856	1.3
105.07026	3.3
107.04967	1.8
107.08598	19.3
109.02894	2.5
109.06493	2.3
110.07195	5.8
111.04469	1.6
111.08091	4.3
117.09122	1.3
120.08074	1.6
121.09341	2.3
121.10161	29.9
123.04400	1.7
123.08102	1.1
123.11753	7.6
125.05993	2.7
125.09634	3.9
127.03912	1.7
129.10257	1.7
129.63042	1.1
131.08606	1.3
135.11674	2.4
136.07608	1.9
137.05930	2.5
139.07565	1.2
139.11150	9.4
144.10208	100.0
145.02588	1.1
145.05025	1.5
149.09654	6.0
153.09135	5.9
153.12744	9.2
156.04776	1.3
165.05522	1.2
167.09351	2.1
167.10690	36.4
171.10135	4.2
173.12938	6.6
173.77135	1.0
177.49860	1.2
185.11752	32.8
199.04218	1.0
201.12285	2.3
203.12782	7.7
209.36626	1.1
220.06396	4.6
249.43228	1.1
320.18600	2.7
382.11810	8.0
382.16589	2.5
382.22260	33.4
382.27167	1.8
383.22177	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07318	0.2
55.01868	0.3
57.03434	0.3
58.57576	0.2
60.04523	0.6
65.03944	0.3
67.05508	0.9
67.29747	0.2
69.03119	0.2
69.03427	1.2
70.06602	1.3
71.05000	0.5
71.51574	0.4
72.08160	0.3
79.05499	0.6
81.03442	0.6
81.07069	1.3
82.06581	0.7
83.04971	0.3
84.04559	0.3
84.08150	66.9
85.02912	1.8
85.06568	0.3
85.08491	0.3
86.09702	1.7
91.05499	2.5
93.07047	1.3
95.04951	1.6
95.06092	0.3
97.02931	0.5
99.04439	0.3
99.08063	0.3
100.02196	0.6
107.04993	0.6
107.08614	0.6
107.28004	0.3
109.02861	0.3
109.06519	1.4
110.07167	2.4
111.08087	0.4
112.07602	0.3
117.09182	0.3
120.08112	0.4
121.06572	0.3
121.10172	0.4
125.09725	0.2
127.03942	0.7
128.07115	0.8
128.10741	0.3
129.10277	0.3
130.08655	1.1
137.05981	1.3
139.11220	0.3
140.07108	0.7
144.10208	100.0
145.05000	0.4
145.10570	0.9
146.02693	0.3
151.04002	0.4
153.12785	0.6
156.04794	0.3
165.05536	1.5
165.06737	0.2
167.10709	0.8
171.50455	0.3
173.12910	1.1
178.13408	0.4
185.11731	1.2
201.12434	0.3
202.05310	0.5
203.12791	0.6
207.07683	0.6
220.06371	1.3
223.15579	0.6
231.05063	0.3
239.05548	0.4
250.07394	0.3
251.15094	0.7
289.32956	0.3
366.12912	0.8
382.22287	33.1
383.22678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29070	1.2
55.01852	1.3
55.05515	7.7
56.96543	1.3
57.03439	1.4
57.07095	1.8
58.06608	2.3
58.90527	1.0
61.02930	1.2
67.05495	2.0
69.03425	5.2
69.07073	21.5
69.27315	8.8
69.27722	1.9
72.08159	1.4
79.05511	2.6
81.03417	4.2
81.07063	9.1
83.04972	3.7
83.87093	1.1
84.08144	1.6
85.02920	10.6
91.05482	3.7
93.07050	6.0
95.08601	5.4
96.31623	1.1
97.02895	5.4
97.06532	4.9
97.10181	32.1
99.04426	2.2
105.07034	4.3
107.04948	2.6
107.08603	3.3
109.02903	2.1
111.11733	15.5
115.11203	1.6
118.46024	1.0
119.08611	1.5
121.06473	1.5
121.10133	6.5
127.03902	3.1
128.07100	2.1
133.06464	1.9
133.10138	1.6
137.06007	1.3
139.11197	43.8
139.86951	1.3
143.08595	1.1
145.04959	1.9
145.10068	1.8
157.12262	52.1
157.13568	2.5
161.05984	1.4
180.08586	3.1
185.11722	7.8
189.09047	1.1
203.12807	100.0
204.13054	1.6
220.11804	1.6
243.54172	1.3
250.18083	1.9
278.17526	1.5
302.17477	2.8
317.48804	1.3
320.18494	4.7
359.00806	2.9
364.25189	1.2
377.01880	18.0
382.16724	2.1
382.22034	3.9
395.02853	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	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.4
53.36400	1.4
55.01873	7.4
57.03432	5.5
58.06601	4.3
61.02922	6.5
66.99439	1.3
68.99792	2.3
69.03434	38.5
69.17457	13.1
70.06602	2.0
71.04991	4.7
72.08144	2.7
73.02920	5.5
75.01666	1.5
76.32259	1.7
79.05504	4.6
81.03419	25.5
81.07064	2.4
84.48643	1.4
85.02913	100.0
87.00838	47.1
91.05473	3.9
93.07013	2.1
97.02898	33.9
99.04465	14.1
101.44098	1.6
105.01873	85.0
105.07059	2.3
107.05028	1.4
107.08643	2.4
108.04481	1.6
109.02889	29.0
115.03890	2.2
116.07105	1.7
127.03926	64.6
129.01820	4.7
145.04970	32.9
145.10164	1.9
147.02911	1.9
156.89833	1.9
159.02951	9.8
189.03981	2.5
213.03987	3.6
219.15971	1.5
231.05013	24.5
246.18535	7.2
249.06097	9.0
256.45166	1.4
364.15845	2.8
382.23914	3.3
400.00909	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29070	1.2
55.01852	1.3
55.05515	7.7
56.96543	1.3
57.03439	1.4
57.07095	1.8
58.06608	2.3
58.90527	1.0
61.02930	1.2
67.05495	2.0
69.03425	5.2
69.07073	21.5
69.27315	8.8
69.27722	1.9
72.08159	1.4
79.05511	2.6
81.03417	4.2
81.07063	9.1
83.04972	3.7
83.87093	1.1
84.08144	1.6
85.02920	10.6
91.05482	3.7
93.07050	6.0
95.08601	5.4
96.31623	1.1
97.02895	5.4
97.06532	4.9
97.10181	32.1
99.04426	2.2
105.07034	4.3
107.04948	2.6
107.08603	3.3
109.02903	2.1
111.11733	15.5
115.11203	1.6
118.46024	1.0
119.08611	1.5
121.06473	1.5
121.10133	6.5
127.03902	3.1
128.07100	2.1
133.06464	1.9
133.10138	1.6
137.06007	1.3
139.11197	43.8
139.86951	1.3
143.08595	1.1
145.04959	1.9
145.10068	1.8
157.12262	52.1
157.13568	2.5
161.05984	1.4
180.08586	3.1
185.11722	7.8
189.09047	1.1
203.12807	100.0
204.13054	1.6
220.11804	1.6
243.54172	1.3
250.18083	1.9
278.17526	1.5
302.17477	2.8
317.48804	1.3
320.18494	4.7
359.00806	2.9
364.25189	1.2
377.01880	18.0
382.16724	2.1
382.22034	3.9
395.02853	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	382.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.01871	4.8
55.05520	2.5
57.07082	66.2
58.06581	3.3
61.02903	1.8
65.03932	4.1
65.76125	1.6
66.04715	3.0
67.05180	2.5
67.05512	39.3
68.06294	23.1
69.03425	3.5
69.07068	2.9
70.06584	3.0
71.04981	1.7
72.08144	4.2
72.71276	1.8
72.75773	1.7
74.09724	14.9
79.05082	1.9
79.05503	21.2
81.03426	16.8
81.07050	8.9
82.06586	5.4
83.04995	12.3
91.05491	39.0
93.07057	17.5
95.04990	14.2
96.04482	2.9
97.02889	3.1
97.06493	1.9
98.06067	2.3
98.21582	2.7
100.07632	3.0
100.11272	2.6
105.03438	2.7
105.07041	23.4
107.04954	15.5
107.08584	11.6
110.06047	14.0
110.46879	1.6
111.04436	5.5
115.05444	3.6
117.07030	17.6
119.04955	3.4
119.08557	4.3
121.06501	2.8
121.10136	7.1
124.07619	2.0
126.09148	2.3
129.06982	4.7
131.04921	4.5
131.08582	53.9
133.06503	21.5
133.10156	9.2
135.08044	4.1
141.07013	5.4
143.08591	1.8
144.05634	4.6
145.06500	2.6
147.08026	3.2
149.02383	3.3
149.09631	12.9
152.10754	12.3
159.08058	27.7
166.12354	10.7
167.13089	25.9
177.09120	70.9
187.07562	8.1
193.04959	5.7
195.10197	7.4
205.08595	8.3
207.06528	1.7
223.09683	3.8
228.13054	1.9
241.10683	3.3
247.09653	7.6
250.18056	100.0
256.07361	1.8
278.17569	2.3
291.08719	14.6
296.18604	72.1
309.09674	14.6
327.10797	22.7
334.30969	2.1
338.19678	3.5
364.17593	15.7
365.17719	2.0
382.13708	3.0
382.18588	47.0
382.23358	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	382.171
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01868	0.8
55.05513	1.3
57.07064	1.9
57.61657	0.7
58.06599	3.2
59.04997	1.9
61.02939	1.1
67.05490	2.4
69.03430	1.5
69.07065	2.2
70.02954	2.8
71.05000	0.9
71.17626	1.2
72.04526	6.0
73.02953	1.4
74.02446	1.0
74.09733	0.8
79.05466	0.6
81.03422	0.8
81.07069	1.9
82.94855	0.6
83.04998	1.6
85.02922	5.6
85.06556	5.6
86.09712	1.1
87.04453	0.7
90.05565	52.6
95.04993	3.5
97.02909	1.8
98.02431	7.7
100.03946	0.9
103.07606	3.4
107.08625	0.9
109.02838	0.8
113.06009	2.2
116.03477	6.1
120.08123	2.5
121.10131	0.9
124.07597	7.2
127.03900	1.1
135.04443	0.8
142.08635	3.6
146.05922	0.8
160.07524	2.3
160.09743	1.2
163.03964	2.3
166.08611	1.4
167.10716	1.8
174.11252	1.7
184.09714	10.0
185.11827	0.9
190.16022	0.7
202.10765	19.1
203.11771	1.3
207.11351	1.4
220.11829	100.0
221.12392	1.1
244.00117	0.7
280.37939	0.7
344.39032	0.7
344.70865	0.8
365.17203	1.5
380.16318	0.8
382.14072	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01881	1.0
55.05517	5.4
57.07069	1.2
59.05012	0.7
65.03951	3.8
65.66283	0.5
67.05136	0.8
67.05508	39.3
69.03434	100.0
69.07077	5.0
69.37361	2.9
69.37777	1.0
70.06593	0.8
71.04989	1.5
72.08148	1.2
77.03931	0.7
79.05495	13.9
81.03423	4.0
81.07065	14.3
83.04987	2.1
83.08626	4.6
85.06563	1.0
91.05485	8.3
93.07048	11.8
95.04974	83.4
95.08613	17.7
96.05270	0.6
96.08976	0.5
97.06522	3.0
97.10173	2.1
99.08104	2.8
105.04524	0.7
105.07040	11.8
107.04963	13.1
107.08602	15.8
109.06516	4.0
109.10158	11.0
111.08089	1.9
113.09647	0.9
115.05499	0.5
117.07024	4.0
119.08591	15.0
121.06528	2.2
121.10151	14.4
123.08071	5.5
123.11729	7.9
125.09659	2.6
128.06259	0.9
129.06990	2.8
130.07793	0.5
131.08574	8.7
132.09341	0.5
133.06506	1.3
133.10144	13.0
135.08064	10.0
135.11700	4.4
137.09619	2.7
137.13249	0.7
139.11217	1.8
141.06960	1.5
142.07814	1.6
143.08591	6.9
144.09326	1.0
145.10130	13.3
147.08066	1.6
147.11687	7.2
149.09636	3.8
149.13274	3.2
151.11189	2.1
155.08586	2.9
156.09367	1.7
157.10159	8.0
158.10831	0.8
159.08061	1.1
159.11690	12.2
161.09633	5.5
161.13272	6.4
163.11189	2.0
163.14876	1.5
165.12752	2.0
167.08557	1.3
168.09340	0.8
169.10130	6.5
170.10979	1.4
171.08142	0.5
171.11690	7.9
172.12576	0.5
173.09608	1.3
173.13284	8.1
175.11217	3.8
175.14819	2.9
177.12778	2.3
177.16434	0.6
179.08618	0.7
179.14252	0.7
180.09357	0.7
181.10153	2.7
182.10860	0.8
183.11711	6.9
184.12460	1.0
185.13264	7.9
187.11208	1.1
187.14827	12.0
189.12816	2.3
189.16412	2.7
191.14348	0.9
193.10262	0.9
194.10947	0.6
195.11710	4.2
196.12442	1.6
197.13347	4.9
199.11183	0.8
199.14832	6.4
201.12759	1.7
201.16399	4.2
203.14357	2.2
203.18008	0.9
205.15898	1.4
207.11728	1.4
208.12558	0.6
209.13295	3.5
210.14001	1.6
211.14838	7.0
213.12794	0.8
213.16403	4.3
215.14417	0.9
215.17961	2.1
217.15936	1.4
219.11766	0.7
221.13246	1.4
223.14819	2.8
225.16385	9.3
226.17123	0.6
227.14294	1.6
227.17944	4.8
229.15871	3.4
229.19492	0.8
231.17381	3.1
233.13219	1.1
234.14056	0.5
235.14825	1.8
237.16232	2.3
239.14340	1.1
239.17975	3.3
241.15892	1.6
241.19627	0.8
243.17372	2.2
245.18971	4.4
249.16403	1.7
251.18036	2.5
253.15939	0.7
253.19531	1.9
255.17520	2.2
255.21051	1.4
257.19040	2.7
259.20584	6.1
261.16473	0.9
263.17871	0.9
265.19510	2.0
267.17459	1.3
267.21075	1.0
269.18994	1.5
269.22638	1.2
271.20560	0.8
273.22134	1.6
275.18115	0.8
277.19528	3.5
279.17435	0.8
279.20978	1.4
281.19058	2.7
283.20609	2.3
285.22266	0.6
287.23730	1.1
293.18893	1.4
295.20609	5.5
295.24216	10.8
297.22113	2.4
303.21002	0.6
307.20544	1.2
307.23883	0.7
309.22141	1.5
311.20303	1.0
311.23663	3.8
313.25256	13.3
314.25403	0.9
319.24139	1.7
321.22253	2.7
321.25632	0.8
323.23709	1.9
335.23764	1.2
337.25223	7.4
339.23178	1.0
339.26773	2.2
345.25687	1.4
351.26907	0.7
353.28442	1.1
363.26828	22.0
364.27161	0.7
381.27884	95.5
382.24094	0.5
382.28006	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.0
57.03419	0.9
58.06607	3.7
60.04530	1.3
60.05659	7.7
65.03946	1.8
69.03443	1.5
69.07074	0.9
70.06599	20.8
70.86906	1.8
71.05007	1.8
72.08157	4.5
77.03920	1.0
79.05515	1.5
81.03413	1.0
81.07075	1.2
84.08157	0.9
85.02902	2.5
86.09723	1.4
87.04455	1.0
88.07711	0.6
89.03916	1.1
91.05492	22.5
91.09425	0.7
93.07030	1.0
97.02898	1.1
97.06567	1.1
97.07673	1.4
98.97567	1.2
99.04506	1.1
99.08113	1.2
103.05534	1.2
105.07111	0.7
107.08624	0.9
112.08771	4.3
114.10316	3.0
115.03921	0.9
116.07111	4.0
117.03400	1.3
117.74641	0.8
119.04953	44.5
119.08626	0.7
121.10201	1.0
130.09779	4.1
132.02040	0.9
135.04416	1.8
136.05022	0.9
145.02864	1.6
147.04424	39.0
149.02379	0.8
157.03929	4.2
157.10872	2.3
158.09282	4.9
162.03220	0.8
163.03928	4.8
164.04669	1.3
167.10715	0.7
174.05554	2.2
175.03920	70.7
175.11928	25.2
179.07054	2.2
186.02986	0.7
201.09825	2.5
207.06546	93.0
208.06923	1.0
212.06992	0.7
214.97327	0.8
313.16620	1.0
325.46802	0.8
331.17502	1.1
363.16397	1.5
363.20361	2.6
363.25116	0.9
364.15024	1.7
381.17734	100.0
382.18024	2.0
392.14600	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.05512	0.8
59.89659	0.4
67.05492	0.5
69.07080	0.5
69.65044	0.3
70.02955	1.2
70.06590	1.4
71.52501	0.6
72.02924	0.3
74.21161	0.3
79.05484	1.5
81.07050	1.5
84.08128	0.6
85.02895	0.4
88.04007	0.6
91.05522	0.7
93.07053	4.0
93.47193	0.4
94.06571	0.4
95.08608	1.4
96.08979	0.3
105.07049	0.6
107.08595	1.5
108.08128	5.9
109.08924	0.5
121.10143	0.7
122.09673	4.9
123.10430	1.1
123.11797	0.4
135.11673	2.3
136.11201	1.9
137.13258	0.7
138.57811	0.3
139.07568	0.4
142.08646	10.9
150.12802	7.4
151.13568	4.9
164.14357	1.0
166.12354	0.4
166.15897	0.9
168.06654	0.4
176.14429	0.4
178.15950	3.9
179.22693	0.4
180.10182	0.5
194.15414	2.0
196.09869	0.4
196.16954	1.5
208.13229	0.4
210.11288	1.3
210.14902	2.2
210.93274	0.3
222.14909	0.5
238.14384	0.4
240.15967	100.0
241.16335	1.3
241.42726	0.4
250.18137	1.7
297.52890	0.3
298.21991	0.3
381.23779	0.7
389.52487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20863	2.0
71.02473	5.0
71.87926	2.0
77.87633	2.3
79.64429	2.1
111.89146	2.1
138.04445	2.4
201.01634	2.8
219.02760	2.7
381.07968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15628	5.5
95.34661	2.2
99.20982	2.7
116.06436	2.5
160.07587	16.9
261.13037	2.6
284.01535	2.3
301.37714	2.8
322.12881	4.4
381.07956	100.0
381.19724	3.6
382.08517	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35824	1.8
55.80243	1.9
62.55690	1.9
69.86500	3.4
69.86903	8.6
98.20784	3.2
98.97678	1.8
115.53387	1.9
143.00146	2.1
201.03452	2.0
233.98047	2.4
255.57466	2.2
369.60291	2.0
381.07980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35052	3.3
55.05509	8.9
55.72503	3.1
67.05496	7.6
69.03386	3.8
69.07077	100.0
69.57493	22.9
71.04982	10.5
74.19456	3.0
75.85146	2.9
77.55449	2.9
79.05493	6.8
81.07056	7.2
83.04962	3.6
83.08618	8.0
91.05489	9.7
93.07061	5.6
95.04964	8.8
95.08595	9.0
97.06554	6.7
105.07031	8.2
107.08623	9.1
109.10146	4.3
119.08561	5.0
123.04447	77.3
129.06995	5.9
131.04964	3.9
131.08562	6.8
133.10138	3.8
135.04430	6.9
137.02414	3.5
137.03448	3.1
137.05949	6.3
143.08560	5.6
145.06546	4.2
145.10147	3.8
147.04439	4.5
149.05946	3.3
157.06465	5.8
157.10071	5.7
159.08040	4.0
161.06000	24.7
163.03938	8.4
163.07553	4.6
165.05490	5.7
165.06969	3.6
169.06464	3.5
170.10710	3.1
173.06007	52.6
174.06703	4.5
175.06245	3.4
175.07581	12.4
185.13316	4.9
187.11082	3.7
191.06975	8.4
191.10733	7.2
193.10101	4.7
197.06020	33.4
197.13319	4.0
202.07755	3.8
203.06941	5.4
203.08656	22.4
211.07701	3.9
212.93965	3.1
213.05469	22.8
215.07085	6.0
219.08130	3.6
221.09555	5.0
223.07533	4.7
225.05515	20.5
226.06253	10.9
231.08002	20.0
233.09473	3.8
234.06787	15.1
239.10753	3.8
241.04994	20.0
242.05742	55.9
243.06544	98.1
249.09152	34.6
250.06200	4.9
254.05708	12.8
255.06566	23.4
259.07755	6.1
261.09027	4.4
262.06244	7.4
263.06949	7.9
265.08633	11.6
267.06418	4.4
267.10120	7.5
269.08041	8.1
277.08640	77.6
279.06564	10.0
279.10031	6.2
280.07370	16.4
283.09680	10.9
294.08829	5.1
295.09686	92.7
307.09619	10.9
309.11346	3.9
310.11966	22.6
313.10727	53.9
323.12805	4.6
325.10757	5.7
363.15927	15.4
367.41513	3.7
381.16818	15.4
381.24265	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69100	3.0
53.03948	5.2
55.05496	7.3
58.06601	5.0
65.17003	2.4
67.05499	12.1
69.07076	28.0
71.05003	3.3
71.52865	4.1
72.08143	6.9
74.09725	34.2
75.10056	7.2
79.05513	16.1
79.05900	3.3
79.26079	2.7
81.07068	18.4
83.08636	2.7
91.05483	21.4
93.03405	4.6
93.07054	73.8
95.04968	6.1
95.08640	13.4
97.06532	3.9
103.05468	5.2
105.04501	3.3
105.07049	21.0
106.04194	11.3
107.08607	62.2
109.06498	3.5
109.10167	13.6
110.36702	3.1
118.04211	4.3
121.06516	11.9
123.11695	2.9
124.11259	4.9
125.05995	3.3
131.04955	5.3
133.06523	11.8
135.04414	3.6
135.10699	5.6
135.11710	100.0
137.05975	3.9
149.05994	17.6
153.09082	4.6
153.12776	8.4
161.05992	26.8
165.05496	4.5
166.15958	6.1
167.07071	6.7
177.05534	8.8
180.07843	3.9
181.08621	9.8
190.06300	5.4
193.08635	11.7
208.07362	5.5
209.08049	27.3
211.09795	3.1
224.20094	5.7
322.31082	7.8
347.90616	4.1
380.29489	7.2
395.07965	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	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73026	1.0
58.06599	5.9
60.04528	8.1
60.08154	2.5
67.05493	1.9
69.03412	0.8
69.07058	0.9
70.06588	3.0
71.51003	1.1
72.08147	0.9
72.48933	0.9
79.05515	1.4
81.03421	1.0
81.07024	1.6
84.08159	1.7
85.02880	1.9
86.09719	0.9
90.05521	1.4
91.05467	1.4
97.02924	2.0
98.97568	1.7
116.07118	1.2
119.01892	2.6
119.04971	1.0
120.08145	1.0
127.03967	1.4
131.01904	0.8
146.06023	1.2
147.04468	1.1
158.09248	0.9
160.07588	19.5
162.05505	1.5
174.05568	2.8
175.03947	1.0
207.06561	1.8
219.11278	1.3
220.11830	1.7
221.05066	1.5
227.05220	1.8
271.04346	5.0
295.07901	2.6
313.07562	1.3
322.12781	5.0
324.60229	0.9
337.08939	13.1
345.24600	1.1
362.25662	1.2
363.25583	4.9
381.07947	100.0
381.16409	3.9
381.21161	4.0
382.08273	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28329	1.5
55.05512	8.3
57.07061	3.2
58.06601	2.8
59.32325	1.6
64.30026	1.4
67.05515	17.8
68.05041	2.3
69.07079	28.0
70.15047	1.7
71.07384	2.2
71.53378	1.8
74.09718	5.4
79.05497	11.4
81.07069	51.4
83.08625	3.0
85.02903	2.0
91.05489	6.0
91.78222	1.6
93.07053	24.0
94.02926	2.9
95.08610	35.5
96.04490	4.3
97.10188	2.8
105.07027	3.3
107.04949	1.9
107.08611	22.4
109.09468	3.6
109.10165	45.1
110.02422	2.7
113.72007	1.8
114.01889	4.9
119.08646	1.9
119.70753	2.1
121.10150	12.5
123.11726	18.5
124.11286	2.4
128.03441	3.4
135.11716	18.7
137.13277	4.1
140.03462	10.2
149.13269	40.1
158.04523	9.5
163.14806	2.6
166.15994	6.3
176.05650	8.1
188.05527	5.0
205.19533	25.3
224.20184	5.1
256.11755	2.2
322.31134	6.8
362.23291	2.4
380.24387	100.0
380.34921	4.3
381.25092	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	380.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29593	0.7
55.05502	2.6
59.04992	1.8
61.62481	0.7
69.07066	1.8
70.02431	1.7
70.02834	1.7
71.04997	17.3
73.06561	5.2
79.05502	5.0
81.07065	26.0
85.47952	0.6
91.05475	2.1
93.07054	17.3
94.76676	0.7
95.08637	3.2
97.06514	1.9
105.07019	2.2
107.08591	12.0
109.10170	2.9
110.67262	0.7
111.08051	1.2
119.08559	0.9
133.06538	1.3
135.10895	0.5
135.11703	24.0
153.12756	100.0
154.13104	1.0
161.05998	2.6
193.08620	1.6
200.12430	0.7
254.33101	0.8
278.55005	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
55.01872	2.3
55.05502	7.0
56.96585	2.3
59.05000	2.3
65.03943	2.4
67.05518	9.2
69.07068	6.1
70.06603	10.0
70.82911	5.3
75.04462	2.3
79.05495	19.5
81.03452	2.0
81.07061	25.2
91.05487	29.2
93.03395	2.2
93.07052	100.0
95.04956	5.2
95.08629	10.6
97.06531	4.4
103.05450	5.4
105.07041	35.1
106.04158	2.8
107.07875	4.2
107.08602	78.9
109.06544	2.7
109.10152	9.7
115.05441	4.8
119.04941	3.6
119.08566	4.9
121.06511	5.4
123.11693	1.9
133.06516	21.9
133.10143	2.9
135.11697	78.5
149.05989	7.0
152.14339	2.7
153.12761	3.1
161.05995	52.2
165.05458	2.5
167.07040	12.4
168.07750	2.2
181.08582	2.9
193.08633	37.8
209.08090	11.5
211.09657	6.7
239.10663	2.4
271.13226	6.5
380.08188	2.2
380.23465	1.7
380.29721	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	380.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	8.5
68.25302	3.6
69.07076	5.5
70.06602	7.4
71.52464	6.1
72.08165	5.3
79.05508	12.7
81.07057	11.0
82.27362	4.6
91.05500	13.9
93.07056	44.7
95.04922	4.5
95.08607	9.8
97.06557	6.8
103.05457	6.9
105.07051	53.3
107.05004	4.8
107.08605	51.2
109.10189	8.4
110.82759	3.8
115.05482	11.4
118.04208	5.4
119.08631	5.4
133.06511	50.8
135.11736	20.1
143.06058	6.8
157.49266	4.9
161.06009	100.0
167.07082	5.0
183.42490	3.8
193.08633	70.7
193.10304	6.2
211.09663	8.0
258.11340	5.6
356.35172	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	380.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
53.43119	3.9
55.05498	7.4
64.17644	3.5
67.05475	5.3
69.85291	16.8
70.06586	12.6
70.57738	3.1
75.00707	3.2
79.05475	10.5
83.08619	7.8
85.06557	73.5
91.05499	21.5
93.07050	62.3
98.21393	6.6
103.05516	6.1
105.07040	52.8
107.08607	48.2
115.05412	7.9
118.04147	3.8
119.04916	3.5
119.08614	3.9
121.06535	5.6
125.63320	3.0
128.21487	3.9
133.06505	48.7
133.27708	3.9
135.11717	51.9
143.06104	4.2
149.06012	6.5
151.07545	3.8
161.06007	100.0
167.07060	14.5
193.08632	65.1
195.63017	3.6
209.08183	9.7
211.09613	12.7
271.13339	4.9
323.45764	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	380.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.05507	5.3
59.05002	6.0
62.01640	2.9
66.83021	2.7
67.05501	7.5
69.07056	8.9
70.06562	2.7
70.45147	6.1
71.04997	34.1
73.06552	7.0
76.55016	2.3
79.05502	15.2
81.07062	55.0
83.08606	3.4
84.13403	2.2
91.05470	10.7
93.07050	46.9
95.04972	2.6
95.08602	8.5
97.06568	2.5
105.07027	19.7
107.08614	38.2
109.10162	9.4
115.05431	3.6
122.85723	2.6
130.16740	2.7
133.06517	20.2
133.10097	2.3
135.11705	68.3
147.17827	2.8
153.12755	100.0
161.05980	40.4
193.08647	17.6
211.09602	3.9
380.31726	3.1
393.20126	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	380.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26629	1.2
55.01886	1.5
55.05510	4.0
57.03455	1.9
58.06597	2.6
59.05008	2.0
59.23721	1.4
60.04530	3.4
67.05510	7.6
67.05821	1.4
69.03435	5.4
69.07069	3.5
70.06596	3.8
71.04998	36.3
72.08157	4.7
79.05511	9.6
81.03437	2.5
81.07063	13.4
83.04982	3.1
84.08114	1.8
85.02917	10.8
85.06552	3.4
86.09709	1.5
87.04456	1.2
91.05479	5.9
93.07048	17.6
95.04964	3.2
95.08615	43.9
97.02898	1.8
97.06536	5.0
99.04464	3.3
105.07036	10.4
107.08607	9.8
109.02876	1.7
109.06495	2.5
109.10168	18.1
110.70818	1.2
111.08091	1.8
113.06013	2.4
119.08598	7.4
120.08099	5.3
121.10172	9.8
123.08103	5.0
123.11697	3.4
125.06028	8.2
127.03902	2.5
130.06540	4.4
137.09625	23.3
137.13278	2.3
139.07561	13.4
145.05037	2.4
147.11719	13.5
155.10690	19.0
156.22453	1.4
160.07607	4.1
165.09131	47.8
165.12769	58.0
172.07597	1.8
183.10194	22.9
183.13817	22.9
201.11238	100.0
202.11537	1.7
219.12309	2.0
344.24863	1.7
349.15308	1.8
380.90100	1.7
404.36206	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31067	0.7
55.05510	1.8
57.03425	0.8
57.78331	0.7
58.06586	1.1
59.04997	1.1
60.04510	2.0
62.34614	0.7
67.05495	2.4
69.03430	13.7
69.07057	1.6
70.06583	1.9
71.05006	5.9
71.52809	1.2
72.08163	1.0
79.05476	2.1
81.07071	2.2
84.08180	0.8
85.02924	4.2
85.06552	4.0
86.09720	7.1
91.05481	1.7
93.07040	2.6
95.04977	1.3
95.08616	11.3
97.02927	1.2
99.04447	2.4
105.07030	3.1
107.08633	1.4
109.06460	0.8
109.10165	10.9
111.08087	2.9
113.06002	2.2
119.08550	2.9
121.10157	1.4
123.08081	1.2
125.05978	1.1
127.03923	1.8
130.06528	4.6
132.10228	2.4
133.06529	4.1
137.09628	16.3
139.07552	55.0
141.09012	0.8
146.06155	1.1
147.08002	1.9
155.10683	19.5
158.76439	0.7
160.07581	2.3
165.09129	25.8
165.11482	0.9
165.12737	5.5
166.92273	0.9
172.07611	1.6
172.13347	1.4
179.81563	0.6
183.10197	21.7
183.13803	2.3
184.07587	0.8
190.59586	0.7
191.11839	1.7
201.11237	100.0
218.13953	6.1
219.12288	1.2
287.11871	1.1
301.13425	1.1
336.84970	0.7
349.15469	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	380.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41135	0.6
55.05509	4.1
57.03440	1.5
58.06581	1.1
59.04998	0.7
60.04516	0.9
61.02919	1.3
67.05181	1.0
67.05509	13.8
69.03428	2.9
69.07063	2.3
70.06618	0.8
70.43147	0.6
71.04994	4.0
71.06472	1.6
79.05483	1.6
80.90195	0.7
81.03422	1.6
81.07059	6.3
85.02911	9.5
86.09720	1.3
91.05476	2.4
93.07050	6.6
95.04980	3.6
95.08617	25.9
97.02888	3.0
97.06517	1.6
99.04452	4.6
99.08101	2.9
107.08596	1.6
109.02880	0.8
109.10167	69.9
113.06004	2.9
118.11054	0.7
119.08620	4.0
120.08103	2.6
121.10176	4.7
123.11735	0.7
127.03941	1.5
137.09631	32.0
144.08086	2.1
145.04965	2.0
145.08414	1.2
147.08041	3.6
155.10684	20.1
165.09129	100.0
166.09464	0.9
180.08626	1.5
182.79756	0.7
183.10181	85.7
186.09143	1.4
201.11235	16.9
218.13742	2.1
249.12364	0.8
362.20642	0.7
380.20303	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.4
55.14225	0.9
58.06595	2.6
59.04992	1.5
60.04519	3.8
60.08152	1.2
61.02937	1.1
67.05511	5.6
69.03442	8.5
69.07050	2.5
70.06622	3.9
71.05000	4.6
71.52048	0.9
71.52402	0.9
72.08167	5.2
72.08482	0.9
79.05488	2.5
81.03395	1.2
81.07053	3.6
83.04999	1.0
84.04530	0.8
84.08172	1.3
85.02938	5.9
85.06554	2.5
86.09718	9.7
87.04490	1.5
91.05482	2.7
92.33916	0.8
93.07061	8.1
95.04990	2.1
95.08622	48.1
97.02891	2.4
97.06552	1.0
99.04460	2.9
105.07024	2.8
107.08588	2.8
109.02898	1.0
109.06573	1.2
109.10168	15.6
111.08102	1.2
113.06025	3.7
113.09612	1.1
119.08562	4.7
120.08149	2.3
121.06502	1.0
121.10165	3.4
121.19151	0.9
123.08070	2.2
123.11724	1.0
125.06015	4.4
126.02430	0.9
127.03965	1.6
132.10237	2.0
136.07623	1.2
137.09636	27.2
139.07561	17.7
142.08679	1.5
146.05975	0.9
147.04453	1.2
147.11708	4.7
155.10699	23.4
165.09134	36.0
165.12843	1.1
172.13353	4.2
176.05476	0.8
183.10193	22.3
183.11801	1.2
187.10776	4.5
201.11252	100.0
215.10313	1.3
218.13908	6.4
219.12299	2.3
380.16583	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
53.50121	0.3
55.01855	2.6
55.05518	0.8
55.93531	0.4
56.05022	0.5
58.06604	0.3
60.04531	7.4
67.05507	1.1
69.03435	1.0
69.07091	0.4
70.06602	1.8
70.65758	0.6
71.04991	0.4
72.08152	2.1
73.02935	0.4
79.05495	1.7
81.03428	0.6
81.07064	7.9
81.07533	0.6
84.04511	0.5
84.08150	1.3
85.02927	3.0
85.06546	0.5
86.06045	0.3
86.09724	0.7
91.05493	1.1
93.07062	1.3
95.04954	0.8
95.08627	0.7
97.02897	0.8
98.06064	0.3
105.06997	0.7
109.02914	0.5
109.06530	4.9
109.10165	0.3
111.08075	0.4
116.07111	0.6
119.05000	0.6
119.08583	0.5
120.08118	1.1
121.06576	0.4
121.10169	0.6
123.08120	0.5
127.03952	1.0
129.10304	0.7
131.08615	0.3
132.04477	0.6
133.10121	0.4
137.05991	100.0
138.06320	0.9
145.04964	1.0
147.04408	1.8
163.03896	0.3
165.05482	2.7
165.09123	0.4
183.06551	52.9
183.10075	1.4
184.06876	0.4
216.15900	0.4
219.14995	0.8
253.19186	0.3
290.21143	0.4
326.23175	0.7
344.24445	1.8
362.25403	6.6
380.26434	1.4
381.02963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01863	2.0
55.05509	1.5
57.03441	6.5
59.05011	0.7
61.02931	8.5
65.98219	0.6
67.05492	0.9
69.03437	24.8
70.69250	1.2
71.04999	3.0
73.02929	3.7
81.03423	9.2
81.07072	0.6
85.02912	57.8
86.03235	0.6
87.04470	4.1
88.62343	0.6
91.03970	2.9
91.05484	1.4
97.02901	18.6
99.04474	4.3
101.02396	0.9
105.06999	0.7
109.02895	7.5
115.05456	4.1
117.07028	10.4
127.03925	13.7
128.06216	6.0
129.07014	44.6
131.08577	0.6
133.06483	1.2
136.06229	0.7
141.07036	0.6
143.08582	6.6
145.05049	5.3
145.06496	100.0
146.06804	0.8
153.07005	0.8
155.04926	0.9
155.06091	0.7
155.08530	0.8
156.09346	1.7
156.92487	0.6
157.06503	41.2
157.10059	1.1
158.07272	2.0
159.08046	2.3
162.04207	0.7
165.07043	0.9
166.07796	1.0
169.06543	2.7
170.07295	2.3
170.59193	0.6
171.08020	5.5
171.11696	10.6
173.09593	1.0
181.10129	1.8
183.08102	1.8
184.08832	4.9
187.07491	3.0
190.63165	0.8
199.11200	52.4
200.11592	1.0
211.07579	1.1
211.11208	1.4
217.12247	26.2
229.12268	1.9
237.09990	0.6
241.12299	1.9
249.93118	0.7
252.33150	0.6
259.13440	1.2
260.11481	1.1
283.06000	2.0
308.06601	0.7
323.09195	1.0
361.07117	1.7
379.08261	4.1
379.17557	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	1.1
69.55038	0.5
71.53010	0.7
72.08163	1.1
74.09724	100.0
75.39146	0.5
79.05491	0.8
81.07051	0.6
93.07055	0.9
105.07019	0.7
107.08601	0.6
114.09190	0.5
135.04463	0.5
135.11673	0.6
139.09921	1.2
146.06100	0.6
199.33427	0.5
206.00783	0.5
211.04544	0.5
246.18520	2.4
306.20639	0.6
329.06680	0.8
362.26807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22105	0.5
54.62056	0.5
55.01878	0.6
55.05515	0.5
56.05038	10.5
56.96568	0.6
58.06605	3.5
68.05029	0.5
69.03433	1.3
69.69016	2.8
70.06597	3.3
73.02907	0.5
74.02431	1.2
80.05022	0.6
82.06576	4.7
84.08152	0.8
85.02893	1.8
97.02873	1.0
98.21400	1.0
98.97580	1.2
107.04944	1.2
109.02901	0.6
110.07183	0.8
114.05450	0.6
115.05443	0.6
116.07088	1.9
116.98627	0.5
120.63704	0.4
123.04468	0.9
127.03933	0.9
128.07072	5.3
131.08583	0.6
131.96130	0.7
132.08102	0.7
135.04337	0.5
137.05997	0.9
143.08551	0.6
145.04922	0.5
149.05954	0.6
150.05510	1.4
159.04402	1.5
159.08072	0.9
160.07584	11.4
161.05991	1.3
163.03925	2.4
164.04619	0.5
169.10175	0.5
171.08026	0.8
174.05487	2.6
183.08070	0.8
185.06062	0.9
187.07593	1.6
195.08086	1.0
199.07646	1.3
201.05440	0.7
201.09131	0.8
213.05527	1.1
217.09726	0.6
218.10115	0.8
222.44856	0.6
223.09589	0.5
225.09109	0.6
227.07057	1.5
229.05212	0.6
229.08646	1.4
231.06697	0.6
233.99277	1.0
234.99040	0.8
237.02985	0.7
245.08113	0.9
247.09641	1.2
253.08569	1.3
254.11839	0.6
255.06557	0.9
263.07288	0.6
271.09729	0.6
272.12784	1.3
273.07834	0.6
274.57141	0.6
279.08740	0.7
281.08054	1.4
288.08716	1.5
290.13928	1.3
291.08630	6.5
298.10736	1.3
299.09076	1.8
300.12228	1.1
316.11807	5.9
317.10242	0.8
318.13141	1.1
322.12860	1.8
334.12866	24.1
338.04099	0.9
344.11639	0.8
362.12500	1.4
377.82251	0.6
380.13416	100.0
381.08014	1.2
381.13654	1.7
381.20251	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.7
67.05551	6.2
69.07047	6.5
71.52622	7.1
73.06053	6.8
81.07081	35.1
83.08604	24.3
91.05487	8.5
93.07035	20.0
95.08607	10.7
103.05485	29.4
107.08585	15.8
107.29749	6.3
119.47098	5.4
131.04953	100.0
135.11673	12.7
137.05977	10.9
137.13274	12.9
137.73204	6.6
145.89598	6.1
159.02956	8.2
159.08148	8.1
163.07559	51.3
163.50949	5.8
190.15239	6.2
190.45364	7.1
205.03456	6.6
322.84430	5.6
368.05350	6.8
374.23474	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	378.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02264	4.4
55.05508	20.5
57.07077	11.6
67.05499	27.4
69.07063	29.1
69.19889	26.6
69.20317	19.1
71.04964	5.9
71.08603	5.3
79.05507	23.8
81.07056	59.0
83.08625	14.4
85.06524	9.3
87.03941	5.7
87.04472	100.0
89.06041	7.3
91.05488	15.7
93.07053	51.8
95.08613	87.1
97.10169	4.8
105.07050	24.5
107.08604	59.1
109.10162	56.6
113.09677	23.9
119.08584	27.1
121.10155	56.6
123.11716	18.5
133.10136	30.8
135.11694	60.3
145.10139	5.7
147.11728	18.4
149.13217	27.5
149.56656	5.2
153.12782	7.5
159.11819	5.6
161.13263	18.4
163.14792	12.2
173.13341	6.3
175.14873	13.9
185.78122	6.1
187.14821	5.6
189.16385	14.8
191.17943	30.3
217.19420	7.7
250.46367	6.3
284.77032	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	379.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
58.06596	1.7
67.05497	0.7
69.03436	0.9
70.06601	1.7
71.52837	0.7
72.08144	1.2
79.05508	0.9
80.71931	0.6
81.03421	0.8
81.07047	1.4
84.04530	1.0
85.02905	1.4
91.05496	6.8
93.07037	1.4
95.08631	1.4
99.61755	0.6
100.38738	0.6
105.07039	1.4
107.08614	1.1
109.02838	0.9
119.08572	1.3
121.10150	1.5
131.08592	1.0
133.70192	0.6
143.08557	0.6
146.23460	0.6
149.09625	0.8
163.07616	1.0
163.11137	1.0
164.08006	0.7
177.05515	0.7
181.12215	1.2
182.08942	1.0
199.13359	0.8
227.05298	1.4
271.04208	2.0
293.09949	2.9
317.09842	0.8
335.11047	26.1
379.10010	100.0
380.10349	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
54.72600	1.3
55.01862	2.2
55.50315	1.4
57.03438	3.5
58.06604	2.6
60.04527	6.7
61.02932	3.1
62.83038	1.4
65.03959	1.5
67.05486	4.2
69.03425	4.4
70.06584	8.0
71.53152	1.8
72.08157	4.7
78.02397	1.8
78.44382	1.6
81.03416	5.8
81.07079	1.6
83.04964	2.0
84.08142	6.0
85.02902	19.2
86.09719	1.8
95.04973	19.7
97.02866	8.0
99.04467	3.2
105.04510	2.3
107.04966	2.0
109.02848	3.3
109.06489	1.9
110.07162	1.8
111.04422	1.7
116.07143	1.7
119.08552	1.7
123.04417	19.5
124.87399	1.5
125.02365	5.5
127.03876	8.6
135.04384	3.0
136.04675	1.5
139.02180	1.7
140.04686	93.5
145.04985	5.2
155.07045	44.3
163.03909	8.1
163.07500	2.3
164.04236	4.7
167.03406	2.2
167.07047	3.2
173.08180	2.4
179.07057	11.7
180.08713	7.1
180.10126	2.3
181.04922	8.8
182.92346	1.5
197.08174	3.1
198.11272	4.0
199.06020	100.0
216.12407	2.8
239.09138	7.3
257.10254	5.2
263.14975	1.4
289.16830	1.9
309.28760	1.5
342.15637	1.9
342.22705	2.6
360.23770	2.7
378.02304	2.7
378.08783	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	378.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69296	0.8
53.03958	0.9
55.01878	1.3
55.05519	3.9
57.07086	1.1
60.76456	0.7
66.03165	0.7
67.05518	5.5
69.03439	35.3
69.56941	5.1
71.04991	2.9
79.05500	3.4
81.07072	24.7
91.05482	4.0
93.07047	12.0
95.04985	7.7
95.08607	3.6
96.05726	1.2
97.06541	3.3
98.20774	1.9
105.07054	8.0
107.08609	14.2
109.06527	28.7
109.10168	5.3
123.08101	5.1
123.11728	14.4
133.06505	1.2
133.10164	8.9
151.11203	100.0
152.11543	0.9
161.05995	1.9
193.08545	1.4
213.31369	0.9
378.31967	0.9
386.30814	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37635	1.9
59.05021	2.2
62.31767	2.0
70.06571	2.0
70.57269	3.8
70.57602	4.5
71.04984	6.3
71.59448	2.2
72.08160	3.9
73.06568	3.1
81.07060	9.9
85.02915	3.0
86.00258	1.9
86.23117	2.0
93.07043	6.0
97.06539	3.5
107.08610	6.2
111.00233	2.1
120.08120	4.8
135.11707	12.0
145.06461	3.6
147.63594	2.2
153.12755	100.0
162.63538	1.9
164.69014	2.1
180.35371	1.9
258.15121	2.7
273.13480	4.0
302.17435	15.2
334.20056	20.5
378.22885	11.6
379.07968	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	378.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.4
51.02373	0.3
51.96748	0.2
53.03940	0.6
56.05030	0.3
57.03439	0.5
57.73294	0.2
58.06615	0.4
60.04532	0.6
61.02905	0.3
68.05007	0.3
69.03432	2.8
69.47883	0.4
69.48286	1.2
70.06602	0.6
71.04981	0.4
72.08168	0.3
72.78220	0.2
73.02927	0.6
78.03458	7.3
79.04230	0.3
79.05509	0.3
80.05021	3.4
81.02989	0.4
81.03426	4.9
81.03868	0.4
82.63942	0.2
84.08167	0.2
85.02914	4.7
86.09702	0.4
93.07067	0.3
95.04974	0.4
96.04504	2.9
97.02899	1.6
99.04453	1.8
106.02924	28.7
109.02885	3.8
111.04449	2.2
116.07057	0.4
120.08095	0.3
121.10172	0.3
124.03963	100.0
125.04314	0.5
125.89101	0.2
127.03919	2.4
145.04932	0.3
166.05025	0.3
181.08594	2.2
196.06125	0.4
199.09756	0.2
201.04260	0.8
201.38528	0.3
208.05995	0.6
216.06525	2.8
232.06088	0.3
250.07129	8.7
268.08176	8.4
378.11859	40.0
379.12204	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	5.1
57.03426	1.8
66.74436	1.7
69.03433	2.8
70.06596	30.1
71.51093	1.9
73.02908	3.1
73.85941	1.7
84.08157	19.9
84.96059	2.9
85.02908	9.5
97.02882	4.4
98.97582	12.7
100.45874	1.6
100.99096	1.6
101.00889	12.1
110.97523	3.2
113.00839	3.2
116.07111	4.1
116.98610	4.1
119.01907	14.0
119.89814	1.7
124.03977	1.6
127.03977	2.6
128.98598	2.5
130.08656	12.1
131.01918	8.3
143.00203	1.8
143.01915	32.2
145.04987	2.4
148.87126	1.6
152.05586	3.2
155.01909	7.1
157.03526	2.0
158.99706	5.1
161.02975	62.1
170.03540	1.6
170.06613	10.0
170.99683	1.8
173.02988	15.5
179.64989	1.9
180.05040	2.4
182.03444	2.6
182.06696	2.3
185.02992	3.2
186.04451	4.5
189.00655	2.0
190.03902	3.7
191.04002	12.3
196.04399	1.9
198.06148	100.0
200.04456	7.5
200.54611	2.7
203.03998	18.3
204.05457	6.3
207.05162	7.7
210.06140	11.0
214.03905	2.5
216.07185	57.8
219.01797	4.7
221.05051	5.4
221.34882	1.9
228.05379	7.5
228.07233	20.1
234.08180	2.8
237.02826	2.1
246.06221	7.5
246.08716	2.4
258.08337	17.9
263.06161	66.1
276.07449	2.7
281.07364	3.5
281.57169	2.3
288.09256	7.1
294.06036	2.0
318.10553	3.3
336.11371	4.2
360.09576	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	377.1458
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
52.40900	0.5
52.68204	0.5
53.03943	1.9
53.90161	0.4
57.03447	6.3
59.04999	0.9
61.02935	3.2
63.54244	0.5
66.08545	0.5
69.03088	1.0
69.03439	13.4
69.37322	0.5
69.37619	4.0
70.06599	0.7
71.01370	2.5
71.05010	4.1
72.93800	1.2
73.02921	1.6
75.04480	2.2
81.03436	3.6
82.03774	0.6
85.02895	1.4
91.05511	0.6
93.07040	0.6
99.04451	3.5
117.05523	0.9
120.08089	0.6
130.06581	0.6
132.95839	4.1
137.06001	5.6
138.06345	4.9
144.95854	1.4
145.07625	2.0
147.08067	0.6
148.08484	0.7
150.96889	0.8
151.07439	0.6
157.06401	0.7
158.97429	4.4
163.75252	0.5
168.95848	1.3
170.07201	0.8
172.08716	27.8
174.96939	1.2
179.10704	1.1
180.11008	1.2
186.96936	1.1
190.09731	1.3
198.06641	4.5
198.96950	0.9
200.08185	4.7
216.07719	13.9
216.97894	2.8
220.30269	0.5
234.99025	5.5
243.08809	64.5
244.09233	1.2
273.04251	0.7
291.05212	2.0
309.06354	3.7
359.13605	2.4
377.14597	100.0
378.15045	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01863	3.8
55.05504	1.0
56.73088	0.9
57.03433	3.5
57.25466	0.8
61.02934	5.4
68.99796	7.4
69.03437	2.4
69.68613	1.7
69.68963	5.0
70.06590	3.6
77.20544	1.0
79.05505	2.0
81.03419	3.6
81.07071	1.0
83.04963	1.0
85.02913	13.7
87.00848	13.4
91.05473	4.2
95.04971	1.3
97.02839	2.2
98.20707	1.3
99.04466	1.2
103.03994	1.3
103.05493	2.2
105.07069	1.4
107.04970	2.1
111.04449	1.2
115.05456	5.7
117.07016	3.4
119.04913	1.2
121.06499	3.0
121.10287	1.2
128.06203	5.2
129.01826	5.3
129.07018	6.2
130.07726	1.3
131.04930	3.8
131.08524	1.8
133.06519	1.7
137.05992	4.1
141.06993	11.2
142.07802	2.0
143.04910	4.3
143.08578	3.6
144.05719	11.1
145.06483	4.8
145.10162	1.5
146.03609	1.2
146.07332	1.8
147.02888	1.2
147.04433	1.6
147.08043	1.7
148.05193	3.2
149.05916	1.7
152.06195	3.4
153.07016	3.3
154.07780	1.2
155.04898	1.9
155.08539	1.9
157.06461	4.7
158.07283	13.8
159.04431	1.2
159.08084	6.1
160.05257	5.3
161.05997	23.2
161.09610	3.0
162.06757	4.1
163.07484	2.4
165.07034	3.4
166.07794	1.7
167.08556	8.4
168.05682	1.5
169.06529	9.0
170.07292	4.2
171.03078	1.1
171.04427	4.2
171.08093	6.6
172.05225	5.9
173.06029	2.9
173.09622	6.0
174.06795	6.0
175.07579	18.4
176.08389	1.4
177.06915	1.1
177.09106	10.5
181.06451	4.8
182.07275	1.2
183.08040	3.8
184.05171	2.4
184.08829	2.3
185.05974	7.0
185.09642	4.3
186.06779	11.9
187.07565	34.4
188.04683	6.2
188.08311	2.2
189.03940	2.2
189.05499	5.8
189.09097	8.9
190.06299	5.1
191.07033	7.4
194.07196	1.2
195.08072	12.6
197.05969	5.1
198.06741	3.3
199.03896	3.8
199.07594	7.3
199.11092	2.7
200.08319	1.7
201.09125	80.7
202.09636	1.7
203.07005	2.4
203.10664	8.1
204.07834	2.2
209.09634	1.8
211.07500	2.4
212.08324	5.7
212.26019	1.0
213.05437	1.5
213.09062	9.7
214.06268	12.7
215.07014	1.6
215.10669	6.4
217.04979	9.1
217.08621	2.9
217.12030	1.1
223.07498	4.5
225.09227	1.3
227.07066	2.4
227.10690	47.0
229.06512	1.5
229.08624	19.2
231.10168	12.5
232.07303	24.1
237.09129	2.7
239.06946	1.2
240.07852	2.1
241.08501	1.8
243.10213	5.2
245.11740	6.1
255.10193	38.7
257.08096	1.2
261.11145	2.3
271.09653	1.6
273.11240	100.0
274.11591	1.5
287.09259	1.2
291.12326	8.9
299.09152	1.2
317.10132	2.2
347.11237	1.9
359.11316	2.3
374.02222	1.0
377.12204	6.3
377.16330	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34784	45.1
57.03434	50.5
66.42747	49.3
67.05499	84.8
70.06600	88.7
79.05499	100.0
81.07058	46.6
95.08606	52.1
98.29121	45.1
105.07011	47.8
130.73640	43.3
130.96144	51.5
132.97881	40.4
145.04961	90.0
153.01843	59.8
161.13295	61.0
234.09001	45.4
241.73486	50.3
252.62703	49.6
277.42804	50.4
310.55161	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28834	0.5
53.03943	2.3
55.01872	2.6
55.05509	0.9
57.03440	7.0
58.06585	1.5
60.04519	1.4
61.02930	1.8
61.31225	0.5
62.65643	0.5
66.43436	0.5
67.05487	0.5
68.99805	0.9
69.03082	0.9
69.03433	11.1
70.06584	2.1
71.01361	0.7
71.04983	1.7
71.52864	0.8
72.08135	1.0
73.02911	2.1
77.31470	0.6
78.77214	0.5
81.03422	9.4
81.07059	0.7
83.04991	2.9
84.08145	0.9
85.02912	21.6
86.03242	0.6
86.09697	1.3
87.00835	7.5
87.04468	1.2
88.03993	0.7
91.03965	1.1
91.05482	1.2
93.07085	0.7
97.02904	7.5
99.04457	3.6
101.06031	7.5
101.91135	0.6
105.01878	4.4
107.08591	0.6
109.02888	9.5
110.07125	0.6
111.04451	2.1
117.01819	1.1
121.06529	0.7
124.03938	0.8
127.03923	16.5
129.05489	100.0
130.05817	0.7
137.05998	6.0
138.06310	5.9
145.04967	5.1
147.02872	0.9
151.07581	0.9
159.02911	5.3
160.07632	0.8
179.07033	2.5
180.07303	2.7
188.07048	0.7
199.09502	0.8
203.07623	1.8
211.07648	0.7
213.03973	1.3
220.07953	0.7
227.07076	1.2
228.22655	0.6
231.05037	2.9
255.06587	0.6
278.04178	0.6
288.09833	4.3
301.10703	0.7
302.11649	2.6
303.12274	1.9
377.17996	0.6
397.24744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	10.8
56.96551	12.3
67.05518	17.0
71.52672	10.7
84.96059	9.4
85.06554	11.7
100.60998	7.1
112.07515	7.6
114.82159	8.8
127.00740	10.9
131.04959	9.2
135.04427	45.3
137.06024	14.4
147.04485	11.3
173.06126	8.8
175.03938	100.0
187.03894	29.9
189.05315	11.1
194.98820	10.1
229.08620	37.1
231.10233	21.9
241.08646	31.6
243.10234	25.7
245.08237	11.6
247.09732	56.5
313.14377	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	376.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01862	2.2
56.04994	0.8
56.96579	4.0
57.03431	2.5
59.35754	0.6
60.04530	0.7
61.02922	3.1
67.05489	1.2
69.03439	9.0
70.06590	4.8
71.01398	0.8
71.04964	1.1
71.51765	1.0
72.08160	2.8
73.02930	1.3
78.31063	0.6
81.03423	3.1
81.07072	0.8
82.06580	2.2
84.04510	1.7
84.08148	74.2
84.96074	0.9
85.02908	20.3
85.06560	1.6
86.09711	3.4
87.04465	1.2
91.03956	0.8
91.05489	0.8
93.07076	1.0
97.02901	8.4
98.97578	6.3
99.04444	1.6
107.04967	1.3
109.02890	2.0
110.07166	1.0
110.97580	2.5
116.98631	2.2
117.03359	0.9
119.01834	0.8
124.90342	0.7
124.99154	0.9
127.03924	6.1
128.02408	0.8
128.07037	1.2
128.98615	2.0
129.10243	1.7
130.08647	100.0
135.04437	2.0
143.00179	1.6
145.02786	1.2
145.04936	5.4
147.04410	2.6
158.99698	1.6
159.03078	0.8
161.01268	1.2
161.04710	0.9
163.03928	7.6
165.00761	0.8
177.00697	1.4
179.06985	0.9
183.55783	1.7
185.01314	0.7
189.00758	0.8
201.00655	1.0
214.03903	1.6
214.07169	0.8
214.14420	3.8
219.01823	2.1
232.04860	1.0
237.02817	3.2
254.24187	0.7
256.04953	1.2
256.11868	2.1
264.58365	1.5
274.12863	3.5
279.07599	2.0
292.13724	0.8
321.08768	0.8
348.09537	1.1
371.14102	1.2
376.13016	1.6
376.14114	1.2
376.19699	22.8
376.31674	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
57.03444	0.9
57.07081	1.9
58.06609	2.6
60.04530	1.0
61.02927	1.3
67.05511	0.7
69.03437	3.2
70.06598	3.4
70.49232	0.5
70.49570	0.7
71.04995	0.8
72.08148	0.7
73.02924	0.7
80.60738	0.3
81.03419	2.1
82.06592	5.1
83.05022	0.6
84.08152	100.0
84.57171	0.3
85.02912	10.4
85.08479	0.5
86.09718	0.9
87.04544	0.3
91.03947	0.8
91.05437	0.4
93.44032	0.3
95.04994	0.4
97.02901	3.7
99.04477	0.9
100.07626	3.1
101.51465	0.3
109.02885	1.1
111.04454	1.4
116.07121	0.7
122.03662	0.4
127.03915	1.7
128.07095	12.9
130.08655	12.2
137.05992	38.6
138.05176	0.3
138.06313	0.6
145.04984	2.8
151.07591	0.7
179.07056	15.2
180.08720	0.8
190.73860	0.3
197.08104	3.0
210.11305	0.9
214.10722	0.4
228.12337	1.9
238.10773	3.4
243.06552	0.9
251.00850	0.4
256.11835	16.9
257.12268	0.4
269.08102	0.8
274.12885	21.6
331.08228	0.5
340.21301	0.5
358.22287	1.0
376.14603	1.2
376.19702	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	376.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01881	3.0
56.96591	2.3
57.03441	4.1
58.06610	8.7
59.05002	17.1
60.04525	7.5
61.02925	6.2
62.06095	3.6
69.03436	17.9
70.06599	7.4
71.04979	2.1
71.47343	2.0
72.08156	5.5
73.02923	2.5
79.05491	1.7
81.03423	10.2
81.07088	2.2
83.04977	1.6
84.04518	3.1
84.08153	6.9
84.95348	1.4
85.02912	46.2
86.09730	8.5
87.04472	20.6
91.03977	2.9
91.05499	3.1
93.07051	1.4
95.04986	2.4
96.04462	1.5
97.02905	30.0
98.97592	2.5
99.04464	6.0
100.56819	1.4
105.05514	21.8
107.04960	4.2
107.08614	2.7
109.02896	9.9
110.07194	1.9
119.04977	1.4
120.08127	1.7
121.06565	1.8
124.07613	5.1
127.03938	26.9
129.05489	15.1
129.10229	2.3
131.08568	1.9
137.05992	100.0
138.09172	1.6
145.04961	24.7
147.04459	4.1
150.09132	2.4
151.07562	2.7
157.04338	1.7
159.65973	1.3
168.10272	3.8
179.07056	37.0
180.08688	2.7
196.09760	2.5
197.08089	5.3
214.10762	26.9
219.01784	2.5
231.08646	9.6
243.06535	3.7
249.09729	2.9
255.17830	1.6
302.11633	1.5
340.21277	3.9
358.22296	5.2
365.05505	3.4
376.13373	4.8
376.17316	8.1
376.23047	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	376.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.5
55.01878	8.9
57.03415	5.9
57.34307	1.4
61.02909	7.0
68.99796	2.7
69.03432	30.4
70.72823	4.7
71.04986	4.4
73.02909	8.5
80.75137	1.5
80.75586	1.3
81.03423	28.5
85.02908	100.0
86.21487	1.4
87.00826	36.2
89.22050	1.6
91.03981	2.3
97.02295	2.7
97.02893	43.2
98.20834	1.9
99.04452	16.1
99.05046	2.2
105.01868	36.1
108.04480	9.3
109.02890	30.6
117.01863	3.1
126.05518	3.7
127.03920	86.3
129.01840	4.6
136.23203	1.4
145.04964	62.8
147.02876	4.5
154.02936	1.6
159.02904	24.9
163.03891	6.0
177.05412	1.7
189.03929	5.6
190.60139	1.4
201.07101	1.7
213.03998	2.8
214.60707	1.7
219.06435	1.9
230.06569	4.2
231.05005	21.9
248.07555	4.5
249.05991	2.8
354.70520	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01871	1.0
56.68834	0.7
57.03437	2.0
58.06610	7.0
60.04533	2.8
61.02932	2.1
69.03439	4.9
70.06592	0.6
70.34075	0.6
71.04988	1.5
71.36704	0.8
73.02914	0.6
74.51088	0.6
75.89088	0.6
81.03419	3.2
81.03813	0.5
82.00631	0.5
85.02911	21.2
90.18192	0.6
91.03958	1.3
93.07062	0.6
95.04971	0.9
97.02910	6.3
99.04491	0.8
109.02901	1.6
127.03904	3.8
137.05992	100.0
138.06332	1.4
145.04996	6.8
151.07562	1.6
179.07062	39.7
180.08722	2.7
197.08122	8.0
214.10680	0.6
223.11652	0.9
228.04256	0.8
241.08580	0.7
242.61972	0.7
243.06580	3.4
269.08179	1.7
279.29709	0.6
331.08405	0.7
340.21277	0.9
349.80325	0.5
358.22507	2.7
376.13367	3.3
376.23114	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.05501	15.5
60.36731	3.5
67.05514	30.2
68.79908	3.3
69.07072	13.1
69.34364	21.9
77.49503	4.0
79.05517	34.8
81.07063	41.0
83.04974	3.6
83.08608	7.0
91.05490	52.5
93.07059	79.8
95.04983	33.3
95.08620	43.2
97.06517	12.9
103.05491	7.0
105.07045	100.0
107.08608	50.8
109.06538	12.1
109.10156	22.3
115.05459	4.6
117.07024	28.7
119.08604	69.5
121.06509	15.6
121.10155	67.5
123.08043	5.4
128.06219	13.0
129.06989	13.8
130.07764	11.1
131.08578	52.2
133.10153	42.3
133.15239	4.1
135.08046	4.2
135.11702	13.5
141.07082	5.0
142.07782	20.0
143.08569	21.8
144.09367	5.6
145.10146	59.7
147.10696	4.4
147.11687	22.8
155.08531	12.1
156.09370	10.4
157.10167	45.3
158.10999	3.5
159.08018	6.8
159.11711	35.1
161.09630	13.4
165.07056	5.2
169.10110	15.3
171.11697	18.7
173.13266	14.1
173.65045	3.9
175.11229	4.4
175.14958	8.0
179.08543	8.4
181.10121	8.8
183.11752	14.8
185.13304	10.2
187.11186	4.9
187.14801	20.8
194.10985	4.4
195.11600	8.3
196.12486	4.9
197.13214	5.5
199.14815	6.6
201.16281	4.4
207.11728	7.5
209.13243	9.4
211.14857	6.3
221.13203	5.2
223.14845	7.8
225.16483	5.3
235.14839	5.0
357.25436	4.4
375.26981	29.1
375.36264	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	375.238
Annotation	Manglieside C
Peak:m/z	Relative Intensity
50.66565	1.3
52.83926	1.3
53.03946	3.1
55.01868	6.7
55.05513	17.7
57.03436	7.3
57.07082	7.3
58.06598	3.0
59.05011	3.2
59.81274	1.4
61.02933	9.3
65.28748	1.2
67.05507	10.1
69.03081	2.3
69.03436	30.3
69.07076	44.2
69.34137	8.8
71.05000	10.0
71.08646	2.5
73.02918	5.3
79.02224	1.5
79.05482	6.7
81.03425	12.7
81.07064	31.4
83.04990	9.6
83.08619	7.5
85.02914	74.1
85.06084	2.1
85.06556	23.3
87.04485	6.4
91.03957	4.7
91.05483	3.5
93.07057	13.7
95.04993	2.0
95.08619	41.0
97.02903	25.3
97.06544	4.5
97.10175	11.1
99.04460	5.6
99.08108	28.1
101.02357	1.4
105.07047	3.3
107.04907	1.2
107.08606	24.0
108.91737	1.3
109.02914	8.3
109.10178	20.3
111.08095	3.1
111.11713	7.5
113.09637	6.7
115.05479	1.6
119.08594	3.2
121.10148	32.7
123.04439	12.5
123.11733	7.7
125.09654	8.8
125.13326	2.4
125.71078	1.3
127.03931	17.8
127.11174	2.5
129.07007	2.0
133.10190	2.1
135.11711	18.1
137.05977	9.7
137.13263	20.3
139.03894	2.5
139.11168	7.3
142.76945	1.6
145.04991	16.8
147.04395	1.5
149.13295	6.3
151.03928	20.7
151.05052	1.6
151.14832	5.0
153.12773	12.9
157.06467	2.2
161.06053	1.8
161.09689	1.5
162.41264	1.4
165.09196	1.4
167.07025	2.3
173.13429	1.3
175.07614	2.7
175.14857	1.7
176.53355	1.7
177.16409	100.0
179.07039	2.2
195.17473	44.6
203.07091	4.4
213.18521	62.7
221.08089	1.8
256.07062	1.6
327.12115	2.6
357.13260	1.4
375.23792	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	375.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.7
57.07079	4.7
62.22021	4.2
64.75287	3.8
67.05495	8.9
69.07068	15.3
69.41161	28.8
79.05492	12.7
81.07067	100.0
91.05498	7.2
93.07047	6.6
95.08601	32.5
105.07025	13.7
107.08608	10.0
119.08566	4.3
121.10200	3.4
133.06514	10.1
133.10152	6.0
135.07954	3.9
137.13278	14.9
161.05983	28.8
167.07089	19.9
193.08603	14.8
205.08658	6.1
209.09616	5.6
217.08629	5.8
219.10213	11.6
273.14920	16.0
291.12311	5.2
297.18631	5.4
329.21222	10.4
360.44431	3.6
375.10648	12.2
375.36438	5.0
391.55563	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96042	1.5
53.03933	1.9
54.49147	1.5
55.01868	5.1
55.05510	6.2
57.03419	2.1
58.06600	2.1
65.03950	2.7
67.05503	6.3
69.03423	6.1
69.07068	10.0
70.80109	3.4
71.04972	2.1
79.05492	5.6
81.03429	12.7
81.04217	1.6
81.07054	12.8
82.03729	1.6
83.08623	8.9
85.02917	14.9
91.05482	5.1
93.03423	1.9
93.07044	12.0
95.04934	2.0
95.08610	27.3
97.02898	4.1
97.10151	3.8
99.08085	15.3
105.01855	2.3
105.07034	3.5
107.04933	2.3
107.08600	24.8
108.02064	3.7
109.02853	3.3
109.06547	5.5
109.10174	6.2
111.04460	2.2
111.08105	5.5
115.05446	3.3
116.51997	1.6
119.08585	3.5
121.10155	40.4
122.03657	4.0
123.04456	4.3
125.06020	2.2
125.09646	5.7
127.03933	5.7
129.07066	8.2
135.04430	2.2
135.11693	8.9
137.02348	4.9
137.05995	65.3
137.13249	5.0
143.04950	4.7
145.04990	4.0
145.06528	3.3
149.13277	4.4
151.03931	96.4
151.05043	9.7
153.05467	5.1
157.06487	10.4
160.05232	3.1
161.06039	4.3
163.03905	7.2
165.05516	3.1
167.06996	2.7
171.04465	5.4
174.06746	2.1
175.07573	7.1
175.14839	2.7
176.04753	2.5
177.05452	2.4
177.16409	100.0
180.04205	19.5
183.02905	7.1
188.04755	2.1
189.05522	4.0
189.09131	9.5
191.07047	9.6
191.08566	2.5
195.06531	21.4
195.17445	22.8
198.05293	8.2
203.07047	40.5
205.08629	5.1
213.07602	82.7
213.18507	35.9
221.08095	5.7
232.55840	1.7
233.08052	9.2
243.06610	2.4
255.06375	8.4
256.06879	16.7
264.07825	3.3
279.10281	2.8
285.07465	2.3
286.08395	9.0
295.09830	2.4
307.09546	5.4
311.12970	3.1
312.09805	2.3
315.08154	4.6
321.11380	5.2
327.12265	10.6
329.10315	3.1
330.10538	28.7
339.12262	9.7
357.13501	17.5
375.16275	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	375.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03935	0.5
55.01872	0.9
55.05513	0.8
57.07080	13.5
58.06611	0.4
59.12714	0.3
65.03939	0.5
67.05499	1.1
68.99816	0.4
69.07071	0.6
69.29113	2.2
69.29526	0.8
71.19542	0.4
73.07355	0.3
74.88098	0.3
77.03925	1.2
79.05471	0.4
81.03432	0.4
81.07023	0.7
85.02918	1.3
85.06538	1.7
91.35709	0.3
93.03410	0.5
95.04989	1.5
95.08620	1.0
97.02895	0.4
105.03357	0.9
105.07032	0.6
107.08600	0.7
109.02926	0.5
109.10164	0.6
111.00848	0.5
111.04446	1.2
119.04944	1.4
121.10168	0.8
123.04439	100.0
124.04825	0.5
127.03973	1.1
135.04437	0.5
135.11710	0.4
137.05984	0.9
139.03915	38.6
147.04433	5.8
151.03914	11.6
151.05130	0.6
161.06055	0.9
163.03981	0.6
165.05511	5.1
175.14838	0.5
177.16423	1.6
179.07080	0.7
189.05579	0.9
189.09242	0.5
195.17522	0.6
196.22321	0.4
198.47681	0.4
203.07108	0.5
207.06546	0.8
207.10193	1.0
213.18515	1.2
236.22331	0.4
255.06581	0.6
273.07596	2.8
291.08649	9.8
291.11670	0.7
330.10559	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1444
Annotation	Vladinol D
Peak:m/z	Relative Intensity
53.03929	1.2
55.01851	2.0
55.05500	1.0
57.03426	0.7
58.06570	0.9
65.03918	2.1
65.44633	0.4
67.05484	2.1
67.16840	0.5
69.03417	1.3
69.07062	1.4
69.21706	4.8
70.06602	0.6
71.04994	1.1
72.08118	0.6
76.16105	0.4
79.05476	2.2
81.03423	8.6
81.07076	2.7
83.08612	1.3
85.02898	1.1
91.05496	2.5
93.03389	1.9
93.07043	2.5
94.04176	1.9
95.04952	1.6
95.08609	3.1
97.02926	0.8
97.10149	0.7
99.08085	2.3
103.05458	1.5
105.07021	1.4
107.04953	2.0
107.08603	3.8
108.02110	2.8
109.02884	0.5
109.06554	2.6
109.10197	1.3
111.04457	1.1
113.09631	0.7
115.05434	4.0
117.07019	1.4
119.04913	0.6
119.08613	0.9
121.10152	5.4
122.03650	5.3
123.04452	1.5
125.05992	1.5
125.09626	0.9
126.44393	0.5
127.03893	0.9
128.06229	2.3
129.07014	9.5
131.04939	2.3
133.10052	0.7
135.04416	1.9
135.11708	1.4
137.05991	68.6
138.06323	0.7
141.05467	1.9
143.04935	5.6
145.06496	2.0
146.03609	1.1
147.08069	2.5
149.05962	1.3
151.03925	100.0
151.05037	9.7
152.04352	0.9
153.05484	3.4
155.04973	0.6
155.06049	0.7
157.06505	10.8
159.04510	0.6
160.05222	2.7
161.06010	3.3
161.09642	1.6
163.03911	3.5
163.07523	1.0
165.05502	2.8
167.07133	0.7
171.04398	4.7
172.05238	0.9
173.06006	0.8
174.06783	1.1
175.07550	6.4
176.04752	1.1
176.15292	0.6
177.05612	1.0
177.09154	1.5
177.16429	12.9
180.04202	2.5
181.04991	0.6
183.02878	2.6
187.07513	3.2
188.04704	1.6
189.05544	0.9
189.09122	9.7
189.10750	0.7
190.06302	0.6
191.07074	7.6
191.08606	1.1
195.06564	7.8
195.17474	2.3
198.05212	1.2
203.07048	48.0
204.07507	0.8
205.08612	5.8
213.07603	19.5
213.18520	4.1
215.07051	1.7
216.11197	0.7
217.06587	0.9
218.07353	0.8
219.08076	2.7
221.06136	0.6
221.08121	6.9
231.08342	0.5
233.08080	7.6
234.06699	1.2
235.07643	2.0
236.08452	1.1
243.06572	3.5
244.10774	0.6
246.06821	0.8
247.07574	2.5
248.08255	0.8
250.06149	0.6
251.10786	1.0
255.06595	1.5
256.06958	3.1
259.09634	0.5
261.09225	1.2
263.07120	1.7
264.07968	1.8
265.08701	0.9
267.10153	1.1
269.08142	0.5
271.06134	2.0
277.08664	1.7
278.09656	0.8
279.07242	0.9
279.10080	3.7
281.08206	0.8
284.10568	0.7
285.07681	2.6
286.08444	8.2
289.08704	0.9
292.07401	0.8
295.09708	2.9
296.10635	0.7
297.11353	0.7
306.09097	1.2
307.09726	5.7
308.10367	0.7
309.11548	1.1
311.09656	0.6
311.12653	2.5
312.10056	1.1
321.11218	5.2
324.10052	1.4
327.12311	10.5
330.10596	8.0
339.12302	9.9
345.13507	1.2
357.13345	21.6
375.15054	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	375.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08426	0.4
53.03935	0.9
55.01870	1.3
56.35571	0.3
57.03445	0.8
59.88499	0.3
61.02922	0.5
66.96542	0.3
68.99786	0.5
69.03425	1.3
70.06588	0.9
70.88163	0.3
71.05000	0.6
71.35716	0.6
73.02934	0.6
81.03423	4.5
83.04989	0.4
84.04506	0.6
84.08139	0.6
85.02910	6.0
86.09705	1.8
87.00862	1.7
89.03921	0.5
97.02893	2.3
99.04470	2.0
105.01873	1.5
109.02888	4.1
121.02882	0.8
123.04440	1.1
127.03928	100.0
128.04237	0.4
130.04987	0.5
135.04436	1.0
139.04068	0.4
145.04967	2.2
147.02855	0.4
151.03922	3.9
159.02870	1.0
159.04314	0.4
163.03912	3.2
164.04312	0.8
169.04988	2.4
177.05403	0.4
193.05000	0.8
193.57852	0.4
200.13994	0.7
217.05008	0.9
235.06042	1.0
245.04630	0.6
247.06133	0.6
255.02914	0.8
269.04340	0.6
273.03983	4.3
329.06897	0.5
331.04547	0.3
357.06036	1.3
375.07077	3.3
375.18091	0.3
375.23508	0.8
382.39081	0.4
396.79123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01863	0.8
56.96550	0.5
57.03434	0.5
60.79869	0.3
68.99814	0.5
69.03435	2.7
69.34946	1.8
71.04979	0.3
72.08167	0.7
73.02929	0.5
81.03434	3.0
81.07026	0.4
85.02911	4.4
86.03286	0.3
86.09702	1.2
87.00851	1.9
89.03913	0.3
90.04235	0.3
91.05489	0.4
97.02920	1.4
99.04466	1.0
105.01879	1.3
106.02896	0.6
109.02905	2.5
117.03439	0.5
121.19066	0.3
122.60573	0.2
123.04422	0.7
124.03973	1.5
124.99143	0.4
125.04301	0.6
127.03927	100.0
128.04247	0.3
129.01796	0.4
135.04425	0.7
143.00185	0.4
145.02858	0.6
145.04971	1.2
151.03963	0.3
159.02881	1.6
163.03926	3.4
164.04285	1.1
205.11739	0.3
213.11201	1.4
231.04916	0.5
269.08554	1.1
375.16391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1076
Annotation	Casticin
Peak:m/z	Relative Intensity
52.94432	0.3
69.94380	1.3
78.45075	0.2
79.05476	0.4
82.14786	0.3
82.20004	0.3
86.60972	0.3
87.84238	0.3
91.05464	0.3
95.05007	0.3
96.38081	0.2
100.82957	0.2
107.04961	1.2
111.12778	0.3
116.89893	0.2
121.02860	0.4
125.02364	0.3
131.51509	0.3
135.04420	3.4
136.01509	0.3
137.02356	1.2
137.05963	0.9
138.06810	0.5
139.03940	0.3
147.04466	0.3
149.02304	0.6
151.03922	0.4
151.07547	4.3
153.01831	1.2
163.03891	2.2
165.01869	0.9
165.05481	2.2
166.02623	0.3
167.03441	0.5
178.06253	1.9
178.99869	0.3
180.07852	0.4
181.01331	4.2
182.02118	0.3
183.06494	1.4
191.07004	0.4
197.04475	1.3
209.04500	0.4
215.07034	0.5
225.05379	0.3
229.04892	0.3
241.04956	0.4
243.06511	0.7
243.15625	0.3
253.05122	0.3
255.06593	0.4
257.04318	0.3
258.05301	0.3
269.04523	0.5
270.05234	0.7
271.06049	1.4
273.07474	0.5
284.03122	0.3
285.03983	0.7
285.07367	0.4
286.04718	0.4
287.05493	2.0
289.06992	0.3
297.03894	0.5
298.04779	1.1
299.05502	5.6
300.06219	0.8
301.03812	0.4
301.07077	2.1
302.04364	0.5
303.08679	0.4
311.05496	0.4
313.03561	0.5
314.07877	0.8
315.05066	4.8
315.08597	0.6
316.05829	1.8
317.06650	3.0
325.03510	0.3
326.04196	0.6
327.04950	3.1
328.05759	0.6
329.02786	0.6
329.06525	5.9
330.03677	0.7
330.07425	0.6
331.08130	13.2
332.08566	0.4
342.07321	1.5
343.04431	2.0
343.08209	3.2
344.05255	2.9
345.06110	3.7
346.06845	1.7
359.07632	22.0
360.03796	0.7
360.08398	18.0
375.10757	100.0
376.10925	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64155	1.2
53.03943	1.6
58.06606	8.1
59.50040	1.3
59.98850	1.3
61.02923	1.8
66.97166	1.3
67.05500	2.7
69.03429	3.3
70.06592	5.5
71.52570	2.3
72.08146	3.9
72.22549	1.2
79.05486	4.2
81.03423	2.9
81.07059	2.9
84.08116	1.5
85.02911	12.2
86.09701	2.0
86.60415	1.2
88.07629	1.5
91.05477	4.1
92.03024	1.4
93.07061	2.8
95.04984	1.5
95.08605	1.6
97.02895	1.6
103.05471	10.1
105.07043	6.4
107.04976	12.3
107.08585	2.9
109.02911	2.8
111.04433	2.9
115.05439	2.3
117.06998	2.2
119.04930	1.4
119.08581	2.6
120.05753	1.7
122.61001	1.3
127.03911	2.9
131.04921	4.0
135.04465	2.1
135.08067	9.3
137.05966	5.3
139.03925	5.4
145.04944	3.1
147.04440	2.0
148.05179	1.6
149.02361	3.8
149.05984	2.0
149.09581	2.8
150.02710	1.6
151.03911	5.0
152.04285	3.6
154.06267	44.5
159.11679	1.4
163.07559	31.3
165.05534	2.3
167.07019	4.1
168.07326	1.6
180.07648	6.2
181.05083	1.7
182.05260	1.5
190.09550	1.4
195.10197	100.0
202.05661	1.5
208.13162	1.3
255.06616	6.8
308.09839	1.3
326.11090	1.4
328.07684	1.6
329.10251	11.2
331.07333	1.3
332.07455	1.9
338.17896	2.0
356.07660	12.4
356.11877	1.7
356.18781	5.8
374.08658	13.7
374.16177	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	374.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	32.9
58.06585	14.5
59.79846	8.0
59.90248	8.6
62.06093	11.1
63.96983	9.1
69.89079	9.5
69.93349	31.4
70.06599	22.9
72.08150	10.0
81.07057	12.3
83.04995	9.4
83.08611	21.2
84.08144	8.3
91.05486	9.1
93.07031	14.1
95.08597	13.1
98.21475	9.6
100.11268	100.0
105.07045	13.1
110.06119	14.3
111.04510	10.4
115.57070	7.6
128.07120	12.1
137.05981	25.1
151.03909	21.6
165.09117	27.4
167.07037	11.9
168.17465	16.6
171.57503	9.1
182.15454	36.9
209.16489	9.5
210.14915	30.3
213.15268	8.3
238.13890	8.9
261.20615	10.6
281.46884	8.9
310.75848	46.5
356.11771	9.4
374.15845	9.9
374.28802	15.6
375.10648	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	374.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01869	0.5
55.05509	0.4
57.03432	1.1
58.06588	1.3
59.89822	0.3
61.02924	1.1
61.72342	0.4
69.03434	2.5
70.06597	1.3
71.04988	0.6
71.52104	0.6
72.08168	0.5
73.02924	0.5
79.05493	0.4
81.03410	1.8
81.07056	0.4
84.04496	0.7
84.08138	1.6
85.02915	8.5
85.06574	0.4
86.09708	2.2
87.00858	0.7
87.09508	0.4
91.05493	8.5
93.07072	0.5
94.04190	0.5
94.07383	0.3
96.17379	0.4
97.02902	4.5
99.04472	1.0
105.07032	0.6
107.04923	0.5
109.02883	1.0
109.06515	0.6
109.10215	0.5
109.30351	0.3
117.07003	0.4
120.08071	0.3
122.03656	1.8
123.04439	2.8
127.03931	3.2
127.42108	0.3
132.10213	0.5
133.10149	0.5
137.05992	100.0
138.09172	0.4
145.04967	3.6
147.04462	0.5
147.08055	0.4
149.05974	0.4
163.03899	0.5
163.07578	1.8
177.05490	1.0
177.09081	0.7
179.07039	0.4
180.08769	0.8
191.07057	2.5
195.10194	5.5
204.10214	0.7
208.09683	0.7
212.12817	2.0
222.11259	6.5
231.05020	1.0
356.14798	0.5
356.18933	0.4
374.15445	2.5
374.18845	6.7
376.23877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1603
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
53.03959	0.6
57.65067	0.6
58.06657	2.2
68.99842	1.2
69.03490	1.5
70.06625	1.2
70.68211	0.6
70.68533	1.1
75.71980	0.6
79.05565	0.8
81.07086	1.0
84.08153	8.1
85.02961	0.8
86.09754	1.2
91.05557	1.1
93.07093	1.1
95.05042	1.6
95.08663	0.7
97.02959	0.8
105.07102	1.3
107.05026	1.6
107.08643	0.8
109.02956	0.7
115.05521	0.7
117.07083	1.9
119.05028	1.7
120.08127	0.7
121.06569	2.3
123.04440	18.6
124.04007	0.7
125.06028	1.2
133.10161	0.6
135.04485	1.4
135.08090	3.2
137.06039	1.6
139.03917	0.8
145.06502	2.7
147.04443	4.8
149.05954	2.8
150.09135	2.6
151.03989	1.2
153.05524	0.7
161.05971	1.3
163.03922	1.3
163.07565	32.4
165.05493	4.1
167.07062	0.9
170.99364	0.6
173.06024	4.3
175.07603	1.9
177.05620	0.8
177.09142	0.9
179.07071	2.9
187.07616	0.7
189.05574	0.7
191.07050	37.7
193.08644	1.2
196.35037	0.5
201.05634	0.6
202.05887	0.8
202.08675	2.2
203.07011	1.7
204.10217	6.6
205.08591	1.1
222.11273	100.0
223.11531	0.7
234.11221	2.4
325.10544	1.6
356.15076	4.3
374.15732	65.2
375.15881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23920	0.2
50.94415	0.3
58.06610	1.6
69.75874	0.3
70.06605	0.4
70.47939	1.0
72.08162	0.5
72.50923	0.3
84.04520	0.3
86.09743	0.9
91.05494	0.4
98.98469	1.9
105.07091	0.4
106.06487	0.3
118.06550	3.5
125.00017	7.9
132.08144	0.9
133.08870	0.7
134.09576	0.3
135.80804	0.3
137.05992	0.9
144.08093	6.2
146.09656	1.5
151.03915	0.5
151.07593	0.4
158.07356	0.5
158.09654	2.5
159.10452	1.1
160.11269	0.6
162.09155	2.4
165.09171	0.3
167.07085	1.0
172.11212	2.4
173.12012	0.5
176.10786	1.7
176.14360	16.4
177.07835	0.4
177.11472	0.5
189.09106	0.6
190.08612	2.2
190.12329	1.2
191.09422	1.7
192.10181	0.7
202.15923	43.3
203.16306	0.3
206.09702	0.3
206.11778	28.8
220.16978	100.0
221.17336	1.7
230.25331	0.3
243.13406	0.4
255.40259	0.3
300.13580	8.2
314.11987	0.4
343.59103	0.3
356.16269	0.3
374.17160	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03495	0.9
58.06665	2.6
60.04583	1.0
63.68282	0.5
64.75637	0.5
67.05542	0.6
69.03489	0.7
70.06673	1.1
70.68455	1.6
72.08233	0.8
74.41484	0.5
79.05560	1.4
81.07123	1.0
83.01409	1.2
84.08151	10.4
85.02967	1.0
86.09743	1.1
91.05567	1.6
93.07121	1.1
95.05032	1.7
95.08665	0.9
97.02977	1.2
101.05021	0.7
105.07090	1.4
107.05006	1.3
107.08648	0.9
109.02934	0.8
109.06600	1.0
110.58598	0.6
117.07122	2.3
119.05029	2.2
121.06581	2.4
123.04440	18.8
124.03989	1.0
125.06065	1.1
126.06419	0.9
133.06487	0.6
135.04482	0.8
135.08131	2.2
137.06073	1.4
145.06572	2.7
147.04430	5.5
149.06023	2.0
150.09218	2.6
151.04002	1.2
157.06560	1.0
161.05997	1.0
163.03954	1.7
163.07565	31.9
165.05475	5.2
165.06653	0.6
166.79785	0.7
167.07109	1.2
173.06001	4.2
174.33553	0.6
175.03966	0.7
175.07613	1.4
177.05505	1.2
179.07071	4.0
187.07550	0.9
189.05562	0.8
191.07048	37.8
192.10179	0.7
193.08609	1.2
202.08640	1.4
203.07101	1.7
204.10240	7.0
205.08638	0.9
221.08238	0.8
222.11278	100.0
223.11540	1.3
234.11296	2.0
299.08878	1.3
325.10501	1.9
326.11069	0.7
353.11359	0.6
356.15158	4.5
374.15717	69.7
375.15933	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04006	1.3
54.21628	0.5
55.01937	1.1
57.03247	1.0
57.03508	1.5
58.06368	1.1
58.06684	6.9
61.02986	0.8
68.26163	0.6
69.03529	5.1
69.07150	1.0
70.06686	1.9
71.05057	0.9
71.53668	0.6
72.08228	0.7
73.02979	1.2
79.05556	1.1
81.03521	4.3
81.07153	0.6
85.03020	13.6
86.09804	0.8
87.00943	6.5
91.05559	0.9
97.03014	6.9
99.04583	2.3
105.02003	5.9
105.07117	1.3
106.06644	0.7
107.05087	2.5
107.08674	1.3
108.04586	1.3
109.03011	5.2
109.06595	0.8
116.07212	0.7
119.95715	0.7
121.06629	0.8
126.05604	0.7
127.03925	14.2
128.06367	0.8
129.01900	0.9
130.15437	0.5
131.05058	1.3
131.08678	1.5
133.55318	0.6
137.06055	0.6
145.04955	8.8
145.10283	0.7
147.02991	0.6
147.08293	0.6
149.06090	1.2
149.09726	0.8
152.06349	0.7
153.07088	1.1
159.02881	3.3
162.77304	0.6
168.05800	1.2
171.08250	0.8
175.07690	0.7
179.08594	0.7
181.06613	0.7
184.05400	0.8
189.04082	1.0
193.06581	1.3
194.13811	0.5
195.04382	0.8
196.05263	0.6
197.06143	1.0
199.07716	1.8
206.11743	0.8
209.06044	0.7
211.07578	0.6
212.04710	4.4
212.12714	2.7
213.05553	2.3
217.08722	0.8
220.05200	0.6
223.03949	2.8
223.07553	0.6
224.08423	0.6
227.03407	4.5
227.06902	3.1
230.06589	0.7
231.05048	3.6
236.04921	0.9
237.05533	1.4
238.06364	1.2
240.04346	2.2
241.05005	2.9
248.07867	0.9
251.07085	0.9
252.07954	1.7
253.08757	1.9
254.05765	6.1
255.06531	61.1
256.07135	1.1
267.39551	0.7
279.06711	0.7
297.07651	2.3
311.09186	2.9
313.77594	0.6
314.07852	15.9
329.10205	100.0
330.10565	2.2
374.15921	26.1
375.16229	0.8
382.90665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1598
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
50.96744	0.5
56.05031	0.5
58.06603	100.0
67.33871	0.5
70.06598	0.9
70.77856	0.6
70.78175	0.7
81.03413	0.5
81.07063	1.0
85.02913	0.8
86.09711	0.7
91.05492	0.5
95.08620	1.1
97.02938	0.5
105.07018	0.9
106.07362	0.5
107.08620	0.7
109.10081	0.7
119.08578	2.7
120.08921	1.2
122.01461	0.4
123.59747	0.5
129.07086	0.5
133.10138	2.0
134.10481	2.1
135.11787	0.6
137.05997	0.6
151.03967	0.4
152.57390	0.4
165.07016	0.5
167.07129	1.1
168.07402	0.8
175.14822	3.0
176.15163	4.5
193.06564	1.3
194.16211	0.4
212.04691	0.7
223.04008	0.5
225.09119	0.5
226.06421	0.5
227.07118	1.6
241.08591	0.6
244.03636	0.8
252.15990	0.8
253.08511	0.5
254.05940	0.8
255.06509	7.6
259.06021	2.8
285.07626	1.0
301.07062	0.7
311.09256	0.6
314.07870	2.9
329.10199	13.7
374.16000	62.5
375.16443	1.4
386.68869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91898	0.6
53.03957	1.0
55.01873	1.7
57.03434	2.0
58.06607	3.9
59.04993	0.8
59.09003	0.8
60.04556	0.7
61.02927	2.2
69.03435	4.7
69.07047	0.9
69.38167	3.3
69.38586	2.2
70.06585	2.8
71.04991	1.6
72.08144	1.5
73.02918	1.5
79.05493	2.1
81.03410	3.3
81.07024	0.8
83.04962	1.2
84.04492	1.3
84.08154	14.2
85.02911	16.8
86.09703	2.1
87.00849	1.6
87.04494	0.8
89.03931	3.0
91.03947	1.8
91.05483	1.9
93.07033	1.6
94.07368	1.0
97.02906	4.5
99.04420	1.2
102.05598	0.8
105.01874	1.1
107.04959	2.6
108.05322	0.7
109.02882	1.7
117.03403	11.5
117.07043	0.9
119.04963	1.0
119.08544	0.9
121.06536	2.0
123.04436	5.5
125.06013	10.8
126.06351	8.0
127.03966	3.9
129.10223	1.0
130.05037	1.0
133.10115	1.7
134.03607	1.1
134.10529	1.1
135.04420	1.8
137.05956	1.4
137.16278	0.7
144.10249	1.6
145.02859	36.0
145.04872	5.7
146.04489	0.9
147.04449	2.7
147.30745	0.8
149.06010	8.2
149.09627	1.0
150.06335	1.7
151.03822	1.0
152.07088	1.0
153.05464	1.1
160.07733	0.8
162.03145	1.0
162.59442	0.9
163.03955	4.0
163.07562	6.8
164.04170	1.0
165.05533	1.3
167.07065	1.8
168.07379	1.9
175.14777	1.4
176.15210	2.7
177.05487	100.0
179.07141	0.9
180.08710	2.1
186.05589	0.8
190.07143	1.6
191.07047	6.7
192.07149	0.8
194.08267	1.0
195.06546	59.9
201.05504	0.8
204.10245	1.6
222.11298	11.4
261.15302	0.7
269.08160	1.5
347.59854	0.8
374.15335	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01869	3.6
57.03432	2.8
59.32021	0.9
61.02921	1.9
65.03931	2.0
68.99792	1.7
69.03436	13.4
69.47057	6.0
71.04990	1.8
73.02903	3.2
75.61131	0.8
81.03425	10.8
82.68642	0.8
83.78606	0.8
85.02917	43.4
87.00842	20.4
91.05492	100.0
91.67632	0.7
92.05824	1.0
97.02908	12.8
99.04471	5.2
103.03912	1.4
105.01879	33.4
105.07050	1.3
108.04494	2.3
109.02910	12.2
117.06946	1.1
127.03937	37.3
129.01865	1.2
129.07002	1.7
133.06528	1.7
139.83144	0.7
145.04973	16.5
145.06540	1.5
147.02919	1.6
156.12083	0.9
157.06577	1.0
159.02922	6.4
167.39838	0.7
171.08035	1.5
175.07625	1.4
185.34305	0.9
189.03947	2.9
195.06607	1.1
199.07631	2.1
213.03999	1.3
214.56703	0.9
217.08655	2.8
231.05013	10.7
249.06030	3.1
279.05215	0.8
303.08554	1.0
321.09604	1.7
374.14410	1.0
375.25778	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01864	1.0
56.05040	2.0
57.03426	3.3
58.06591	2.8
61.02948	0.9
65.03941	2.7
67.05497	2.1
69.03438	17.5
69.03815	1.5
69.07071	7.2
70.06608	8.6
71.04990	3.8
71.51878	1.1
72.08165	2.2
81.03428	10.8
81.07052	1.4
83.01337	0.9
84.04514	16.9
84.08128	4.7
85.02916	20.1
86.09717	69.2
87.00833	12.0
87.04465	2.3
87.10027	2.6
91.05493	100.0
92.05835	1.1
93.07025	1.7
95.08602	2.1
97.02907	34.4
99.04469	11.0
102.05565	7.7
105.01881	12.6
105.07032	2.4
107.04977	1.0
107.08575	1.1
109.02212	0.9
109.02850	4.3
109.06574	1.4
109.10133	1.3
114.05537	0.9
115.03964	1.1
116.07098	1.7
119.04969	1.5
119.08570	3.3
120.08070	1.8
120.08909	2.4
127.03930	39.4
129.06606	8.3
129.10257	1.6
130.06546	3.8
132.10223	24.2
133.10127	3.8
134.10481	4.8
137.06026	4.5
141.06653	1.3
143.03374	1.6
145.02919	5.3
145.04974	27.3
147.04414	1.5
158.13779	1.0
170.11755	3.8
175.14827	2.7
176.15167	5.6
185.12759	0.9
192.10213	1.0
197.12868	13.1
199.18069	0.9
202.05814	1.0
212.12993	1.4
213.03926	1.1
215.13931	21.2
225.12270	4.6
229.13417	1.8
231.05052	20.5
242.14978	1.4
243.13371	6.0
243.15517	1.0
245.18611	1.0
249.06110	11.0
254.17525	1.1
271.05405	3.0
328.20673	1.2
330.12714	3.4
356.15363	1.2
374.19202	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.8
53.03942	2.6
56.96557	1.2
57.03440	0.5
58.06601	0.7
61.02930	0.7
63.64387	0.5
64.79685	0.5
69.03084	0.9
69.03433	10.1
70.02768	1.7
70.06602	1.2
71.04993	2.1
72.08140	1.3
73.02902	0.5
74.79555	0.5
78.03459	14.4
80.05017	2.2
81.03423	14.3
81.03922	0.6
84.04519	0.7
84.08165	1.0
85.02438	0.9
85.02909	11.6
86.09704	11.0
89.03927	2.6
96.04508	2.7
97.02907	5.2
98.20791	0.6
99.04451	1.9
106.02919	61.7
109.02887	10.3
115.81726	0.5
117.03410	2.7
119.04949	0.5
123.04436	0.8
124.03960	100.0
124.99152	0.9
125.04288	1.1
127.02961	0.9
127.03924	18.8
130.04945	0.5
133.06468	2.3
134.62045	0.6
135.04391	3.4
137.05856	0.6
143.00188	0.8
145.02859	3.3
145.05003	0.6
147.04393	0.8
148.06091	0.8
163.03906	16.9
164.04230	1.2
166.04999	1.8
177.05501	2.3
181.04990	1.9
182.05327	0.8
187.11211	0.5
189.00581	0.7
194.08202	0.8
195.06593	1.2
199.18086	3.1
205.12280	1.6
222.07643	3.1
227.17567	1.9
231.01869	0.8
232.06021	4.7
237.00679	0.8
250.07123	22.5
253.14209	1.0
255.01830	1.8
261.14383	0.8
264.72809	0.5
268.08170	51.5
269.08377	1.3
273.02853	1.0
281.13373	0.5
374.15005	5.7
380.44766	0.6
387.05872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2375
Annotation	[1R-(1alpha,4alpha,4aalpha,5alpha,6alpha,8abeta)]-Decahydro-4,8a-dimethyl-6-(1-methylethyl)-1,4-epoxynaphthalen-5-yl ester  4-methoxybenzoic acid
Peak:m/z	Relative Intensity
50.84136	0.3
51.02387	0.2
51.18321	0.2
53.03934	0.6
55.01876	1.2
55.05507	1.8
55.89098	0.2
56.96568	0.3
57.03421	0.4
65.03955	1.8
67.05508	8.4
69.03413	0.9
69.07069	1.1
69.39451	1.5
71.04977	0.3
78.24036	0.2
79.05500	6.4
80.53613	0.2
81.03407	1.0
81.07064	6.4
83.04990	3.7
83.08614	1.1
85.02911	7.0
85.06529	0.2
91.05490	6.2
93.03419	1.5
93.07047	6.6
95.04979	2.0
95.08612	4.8
97.02919	0.4
97.06531	2.6
99.08108	0.2
103.05475	0.4
105.04546	0.4
105.07040	7.9
107.04966	2.0
107.08601	8.5
109.02867	0.8
109.06535	2.2
109.10173	2.1
111.04450	23.5
111.08091	0.5
115.05441	0.6
117.07014	2.6
119.04929	0.2
119.08585	6.0
121.06495	0.5
121.10141	3.7
123.04433	0.4
123.08035	0.7
123.11645	0.4
125.05994	3.9
125.09557	0.3
128.06194	0.4
129.07034	2.3
130.07803	0.6
131.04912	0.3
131.08574	5.3
133.06499	0.4
133.10143	5.3
135.04419	1.8
135.08034	1.0
135.11681	1.5
137.05975	1.7
137.09586	0.5
139.03891	0.6
141.07002	0.4
142.07762	0.7
143.04890	0.3
143.08563	2.9
143.60652	0.2
145.06476	0.3
145.10129	6.9
147.08044	0.8
147.11699	3.7
149.02341	0.6
149.05936	0.3
149.09604	0.9
149.13289	1.0
151.03905	2.8
151.07571	2.2
151.11201	0.3
153.05493	2.1
153.06709	0.3
154.07745	0.4
155.07092	0.6
155.08560	1.4
157.06471	0.7
157.10138	2.6
158.10913	0.4
159.08052	0.5
159.11690	4.8
160.12357	0.2
161.05949	0.3
161.09616	1.0
161.13252	1.7
163.03923	0.5
163.07559	0.5
163.11237	0.4
165.05511	0.3
165.09064	0.3
165.12761	0.3
167.07072	0.9
167.08493	0.5
169.10162	1.4
171.07982	0.4
171.11691	2.5
173.02345	0.3
173.06020	0.3
173.09657	2.4
173.13283	1.9
175.07639	0.5
175.11258	0.6
175.14819	2.9
177.05542	0.3
177.09138	1.0
179.07085	0.4
179.10951	0.3
180.07843	0.2
181.10135	0.7
183.11710	1.7
185.09648	0.5
185.13306	2.0
186.14024	0.3
187.07561	0.4
187.11223	0.9
187.14818	1.3
189.09120	0.7
189.12758	0.4
189.16373	0.6
189.29216	0.3
191.10715	0.4
193.10112	0.5
195.11694	1.0
197.13277	1.1
199.11198	0.3
199.14764	1.1
201.05544	0.4
201.12900	0.6
201.16414	2.3
203.07088	0.5
203.10631	0.4
203.14395	0.3
203.18024	0.4
207.11783	0.3
209.13245	0.8
211.11160	0.5
211.14806	1.0
213.05544	0.3
213.12740	0.5
213.16409	0.8
215.10722	0.5
215.14377	0.4
215.17969	0.4
217.12221	0.5
221.13217	0.4
223.14850	0.5
225.12837	0.3
225.16379	0.5
227.18016	0.4
229.12300	0.6
231.13890	0.3
235.14980	0.4
241.08833	0.4
251.18022	0.4
253.19576	0.8
255.13788	0.4
267.13824	0.6
267.21060	0.3
275.23273	0.2
277.19305	0.4
281.15298	0.3
293.11694	0.3
301.19299	0.2
309.22079	0.6
311.12964	0.3
319.20569	0.4
327.15863	0.3
337.21539	1.7
343.11401	0.6
355.11670	0.4
355.15512	0.7
355.22571	1.9
373.23755	100.0
374.24344	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2374
Annotation	Asperugin C
Peak:m/z	Relative Intensity
55.05499	13.2
57.07058	3.8
62.83190	3.5
65.81986	3.2
67.05506	30.2
69.07057	10.8
70.06621	5.1
71.53192	6.3
79.05491	31.3
81.03421	18.1
81.07057	48.5
83.04974	5.1
83.08621	11.6
85.02891	3.8
91.05463	28.6
93.07046	37.5
95.04955	10.8
95.08618	38.1
97.06527	5.8
100.11243	3.6
103.05492	4.1
105.07042	39.5
107.04970	9.0
107.08587	43.0
109.02860	5.5
109.06500	9.2
109.10201	20.2
111.04464	4.8
115.05454	5.5
117.07034	8.3
119.08561	28.2
120.43382	3.6
121.10166	39.4
123.04441	6.6
123.08035	5.0
123.11696	11.2
125.06011	44.1
125.09603	4.1
128.06256	4.2
129.07030	12.0
131.04913	5.7
131.08582	23.4
133.06509	6.3
133.10103	22.5
135.04424	13.1
135.08083	4.4
135.11671	16.5
136.39951	3.9
137.05988	30.7
139.03906	9.4
142.13641	3.3
143.05006	4.3
143.08560	14.1
145.06425	5.1
145.10124	28.3
147.04416	5.3
147.11717	23.2
149.02354	34.0
149.13329	8.7
151.03918	16.9
151.07530	6.5
152.01921	3.4
153.05495	45.1
155.07036	19.8
155.08557	8.2
156.09341	4.3
157.10143	9.6
159.11728	32.0
161.05981	6.2
161.13219	16.8
167.07045	17.6
169.10118	7.4
171.11673	11.3
173.06052	4.5
173.13251	9.7
175.07532	5.0
175.14845	19.9
177.05580	3.6
181.04961	8.7
181.08585	4.8
181.10124	7.6
183.11674	6.1
185.13258	8.9
187.07594	5.6
187.14876	6.0
189.09087	5.5
189.16402	6.2
193.08649	4.5
197.13298	6.5
199.14749	6.1
201.05463	12.4
201.16393	27.1
203.07021	10.6
203.10696	5.4
205.19569	10.6
209.13353	5.5
211.14857	4.8
215.17943	11.2
219.06546	5.7
227.17943	3.7
233.19057	9.1
253.19484	6.1
277.19623	8.2
281.15204	4.7
291.21097	8.2
309.22076	6.7
319.20636	10.5
325.10892	5.2
337.21695	64.7
355.11713	9.0
355.22696	100.0
373.08823	7.1
373.13037	6.9
373.23782	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	373.2376
Annotation	Xysmalogenin
Peak:m/z	Relative Intensity
51.02396	1.9
53.03949	2.6
55.01862	2.9
55.05508	7.6
57.03432	1.6
65.03944	3.6
67.05177	2.2
67.05514	27.9
69.03417	7.4
69.07074	8.4
70.11555	6.6
71.04981	2.2
79.05078	2.0
79.05499	32.4
81.03429	13.0
81.07068	42.2
83.04984	4.8
83.08647	7.3
83.54832	1.6
84.08118	2.0
85.02890	2.6
85.06577	1.9
91.04972	2.7
91.05492	31.9
93.07050	35.0
95.04990	12.1
95.08614	29.1
97.02907	3.2
97.06544	15.1
103.05476	3.3
105.07042	39.8
107.04955	6.8
107.08601	35.7
109.02885	2.3
109.06510	8.5
109.10163	10.5
111.04453	7.3
111.08091	3.3
115.05463	2.6
117.07028	11.1
119.04889	1.7
119.08588	29.6
121.06510	6.6
121.10151	29.4
123.04432	1.5
123.08054	3.1
123.11702	3.1
125.06004	45.8
125.09614	4.1
128.06224	3.1
129.07048	10.4
130.07782	2.4
131.04944	2.2
131.08583	23.7
133.06482	2.1
133.10135	25.9
135.04393	3.0
135.07983	2.1
135.11693	10.1
137.05991	9.6
137.09616	2.8
137.74287	1.6
139.03906	7.8
141.06979	4.9
142.07787	3.9
143.08566	16.1
143.66292	1.7
144.09344	2.4
145.06471	3.6
145.10153	27.0
147.08075	4.6
147.11707	23.4
149.02348	2.7
149.06029	3.5
149.09612	4.6
149.13216	5.3
151.03885	6.1
151.07526	4.2
153.05469	43.7
155.07034	21.5
155.08545	7.9
156.09396	1.9
157.06500	3.8
157.10155	15.2
159.04414	2.5
159.08066	4.2
159.11699	30.3
161.02318	3.7
161.05975	2.0
161.09619	3.1
161.13278	14.9
163.03897	6.6
163.07556	3.0
165.05554	3.6
165.06923	1.7
167.07036	6.0
167.08443	2.6
168.09262	2.2
169.10223	8.8
171.04536	1.9
171.11667	13.9
173.02377	5.9
173.06000	3.5
173.09642	2.6
173.11943	1.6
173.13274	8.8
175.07578	4.8
175.11186	4.0
175.14810	18.5
176.11943	2.0
177.09204	3.3
179.07039	2.4
179.08594	1.5
181.08641	2.0
181.10092	6.8
183.11710	7.5
185.05946	2.2
185.09637	2.5
185.13310	9.8
187.03905	4.5
187.07594	3.6
187.11101	1.9
187.14844	6.7
189.09119	4.9
189.16443	8.9
191.10721	2.9
193.08595	2.2
193.10248	2.3
193.12254	2.3
195.08040	1.9
195.11797	7.6
197.09578	1.8
197.13368	8.2
199.04082	3.3
199.11188	3.1
199.14803	12.0
201.05522	2.5
201.09090	2.9
201.12694	2.1
201.16399	29.5
203.10637	4.8
203.17967	3.5
209.13255	5.3
211.14828	5.3
213.05522	9.6
213.09135	1.9
213.12747	2.1
213.16402	4.2
215.10686	4.5
215.17993	6.4
217.08508	2.4
217.12236	5.8
219.11758	1.7
220.12450	1.8
221.13271	4.6
223.11057	1.7
223.14888	5.0
225.05438	2.3
225.16440	3.0
227.10649	3.5
227.14389	1.8
227.42616	1.6
229.12271	5.7
235.12965	1.9
235.14998	3.7
237.12817	3.4
237.16501	2.9
239.99403	1.9
241.08653	1.8
241.12340	3.7
243.13719	2.2
245.15567	1.8
247.13420	3.4
249.16472	1.9
251.17961	3.1
252.09462	1.8
253.19521	2.9
255.13828	6.0
263.14410	2.7
263.17868	2.7
267.09204	2.1
267.13876	8.2
267.21243	1.8
273.14774	3.1
277.19559	7.2
281.15402	4.3
283.13449	2.1
285.09998	2.3
291.21097	12.9
293.11655	2.2
293.22623	2.8
295.20398	3.6
309.18848	2.4
309.22162	9.0
311.12766	7.0
311.16251	3.3
319.20541	11.1
327.16028	2.4
327.23166	2.6
337.14377	6.6
337.21640	69.7
355.16019	15.8
355.22690	100.0
356.23096	2.1
373.16327	2.6
373.19373	2.2
373.23737	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2374
Annotation	Xysmalogenin
Peak:m/z	Relative Intensity
50.21893	0.8
53.03938	2.0
55.01885	2.1
55.05503	3.0
62.05915	0.8
65.03944	1.7
67.05507	11.2
69.03426	2.8
69.07062	3.0
69.90297	0.9
69.99551	1.7
69.99912	3.3
71.04971	1.9
79.05501	36.7
79.05963	1.9
79.32854	0.9
81.03430	2.8
81.07062	16.3
83.04975	2.7
83.08604	2.0
85.02921	2.2
91.05484	25.8
93.07054	18.3
95.04986	4.7
95.08057	1.6
95.08614	15.6
97.02870	1.6
97.06531	6.0
97.10162	0.9
103.05486	1.8
105.07039	43.2
107.04958	3.0
107.08604	100.0
109.02903	1.2
109.06519	4.1
109.10178	5.5
111.04440	1.2
115.05419	3.1
116.06258	1.8
117.07031	14.4
119.08591	29.5
121.06516	4.3
121.10146	11.8
123.08060	1.8
123.11713	1.4
128.06216	2.9
129.07001	8.4
130.07817	5.3
131.04941	2.0
131.08578	47.1
133.06544	1.9
133.10136	26.0
134.10513	1.3
135.04439	3.2
135.08119	2.2
135.11702	8.2
137.05984	3.4
137.09631	2.5
141.06903	2.5
142.07819	2.4
143.08563	15.5
144.09377	1.5
145.06505	3.1
145.10136	64.6
147.08070	3.4
147.11696	24.5
149.02327	1.1
149.05942	2.2
149.09633	9.0
149.13257	3.4
151.03891	6.2
151.11208	1.2
153.07033	1.0
155.08539	4.4
157.06505	1.4
157.10127	11.3
158.07237	2.4
159.08043	3.8
159.11703	19.9
161.09627	10.2
161.13208	2.9
163.11174	5.5
165.06947	0.9
165.09151	1.5
165.12740	2.6
167.07080	2.1
167.08432	1.0
169.10147	6.8
171.08083	1.3
171.11703	7.2
173.09634	42.0
173.13133	5.1
175.07587	1.1
175.11214	10.1
175.14825	22.6
177.09164	1.0
177.12773	6.2
179.08553	1.0
181.10118	2.0
183.11703	2.6
185.09616	2.2
185.13278	2.6
187.11205	7.5
187.14835	2.1
189.09103	3.4
189.12749	3.6
191.10675	29.3
191.14284	6.7
193.15933	2.1
195.11713	2.6
197.13246	3.5
199.11212	1.3
199.14825	2.0
201.09082	1.3
201.12775	2.8
202.09467	1.2
203.10616	3.0
203.14366	1.2
204.10115	1.1
205.10240	1.3
209.13293	2.6
209.15384	4.1
211.11206	1.7
211.16972	1.1
213.12840	1.1
213.16331	1.1
215.10698	4.2
215.14493	1.1
221.13274	1.5
223.14799	1.6
225.12718	1.7
227.10732	1.1
229.12329	2.2
231.13821	1.2
235.14838	2.3
241.12115	1.0
248.71725	0.9
253.16983	1.8
253.19543	27.3
263.14307	1.1
267.11377	1.1
271.20572	22.8
275.18066	1.0
277.19507	2.0
281.33716	1.0
289.21625	3.7
291.21094	4.0
293.22595	1.4
295.17291	1.0
295.20554	1.8
300.27283	1.0
301.19522	2.0
309.22000	4.5
313.11755	1.9
319.20566	15.0
327.23169	1.7
337.10672	1.2
337.21637	46.8
338.22076	1.1
355.22708	53.5
373.13843	8.4
373.23761	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	373.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.8
55.29315	1.0
57.03439	1.3
58.06608	2.2
61.02930	2.0
67.05508	3.3
69.03426	4.7
69.07063	5.5
70.06595	17.3
70.60659	2.4
71.05003	2.7
71.69440	1.4
72.08146	4.2
79.05502	3.5
79.82925	1.1
81.03421	2.3
81.07059	13.7
83.06113	7.2
83.08616	1.5
84.04525	7.9
84.08154	3.7
85.02914	13.7
86.09715	27.2
91.05477	5.3
91.68221	1.1
93.07049	10.1
95.04982	1.4
95.08617	18.2
95.43313	1.0
96.15970	1.2
97.02901	5.9
99.08108	5.6
101.07168	1.4
103.05476	1.6
105.07024	11.5
107.08613	12.9
109.10138	3.4
113.09644	1.9
117.06998	1.6
119.08593	67.6
120.08128	7.2
121.06520	1.2
121.10184	1.8
123.11728	3.9
127.03958	1.4
129.06610	1.9
130.06543	1.7
131.04976	2.1
132.10225	7.9
133.10143	95.9
135.11705	19.7
137.06010	2.7
137.09615	2.8
145.04950	2.1
147.11707	3.4
151.07581	2.4
157.13377	1.3
163.07634	1.5
165.09001	1.3
167.07098	9.7
175.14841	100.0
176.15213	1.7
185.12843	1.5
189.12384	2.8
193.08655	2.1
193.15904	20.5
196.14499	6.5
197.12912	4.6
211.16910	13.9
214.15541	3.1
224.13948	3.9
225.12338	1.7
237.39838	1.2
242.14990	3.6
293.81165	1.4
299.68799	3.4
302.63541	1.1
355.23370	5.3
373.13974	3.8
373.18338	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	373.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.05501	4.6
56.00303	1.0
59.96621	1.0
60.64614	1.0
61.02919	1.2
62.70871	1.0
67.05494	2.5
69.03419	2.6
69.06615	1.0
69.07059	3.7
69.23947	1.3
69.97209	4.5
70.06593	2.2
71.04991	1.6
72.08161	12.2
79.05494	2.7
81.03414	2.2
81.07050	10.5
83.08592	1.3
84.08134	3.7
85.02909	11.2
85.29996	1.1
86.09698	2.4
91.05488	5.5
93.07042	5.8
95.08606	15.9
97.02882	3.6
99.08088	4.0
102.05533	1.0
105.07051	12.7
107.04946	2.1
107.08596	8.9
109.02892	1.2
109.06509	1.3
109.10162	2.4
113.09645	2.9
117.03401	1.7
119.08591	50.7
123.11684	3.1
127.03906	1.6
129.10252	2.3
133.10136	69.8
135.04411	1.1
135.11697	17.5
137.06068	1.0
137.09636	2.0
143.11844	2.0
145.02852	4.2
145.04918	2.5
147.11638	1.6
148.23788	1.0
163.03935	3.0
163.07678	1.3
164.04251	2.4
167.06999	1.0
171.11302	1.9
175.14836	100.0
177.05467	9.3
193.15881	14.7
195.06477	5.7
203.13905	1.5
209.39604	1.3
211.16927	9.3
373.18405	16.4
373.27951	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01867	0.6
55.05508	2.0
57.03439	0.7
57.07080	0.7
58.06589	1.1
61.02919	1.6
62.66534	0.4
67.05494	1.5
69.03442	2.6
69.07072	3.2
69.45060	3.3
70.06610	0.9
71.04996	2.1
72.08121	0.5
73.02919	0.7
76.00954	0.5
79.05498	2.3
81.03425	1.3
81.07066	10.6
83.08625	1.1
84.04462	0.5
85.02918	10.3
86.09710	0.8
91.03923	0.7
91.05491	4.1
93.07047	6.2
95.08619	14.6
97.02912	3.0
97.06516	0.6
99.04494	0.6
99.08114	4.5
103.05468	0.5
105.07045	12.1
107.08594	10.2
109.02910	1.0
109.06560	1.0
109.10159	2.0
113.09645	1.9
117.07006	1.1
117.50111	0.5
118.64648	0.4
119.08597	47.0
120.08939	0.8
121.10187	2.3
123.08072	0.7
123.11697	2.3
127.03912	1.7
131.08559	1.0
133.10147	57.4
135.11711	13.2
137.05991	1.7
137.09607	2.1
137.10611	0.6
145.04977	2.9
147.11676	2.7
151.07542	0.6
155.03453	0.8
159.77115	0.5
160.12506	0.5
175.14847	100.0
176.15198	1.2
178.22791	0.5
181.04959	2.1
193.15894	9.0
201.05441	1.1
201.09151	1.3
211.13380	0.7
211.16959	5.6
248.78329	0.5
315.60315	0.5
346.29996	0.5
355.11798	0.5
356.16721	0.8
373.13373	0.5
373.18286	0.7
374.18454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1837
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
55.18370	0.3
58.06599	0.4
67.12685	0.3
69.03417	0.5
69.74653	1.2
69.75058	0.6
70.06589	0.7
81.03411	0.6
81.07088	0.4
82.65436	0.4
84.08149	9.0
85.02891	1.2
86.09703	1.4
91.05499	0.4
97.02881	0.4
99.04452	0.4
105.01899	0.3
107.04946	0.9
109.02895	0.5
121.06550	0.6
123.04410	0.4
124.03940	1.1
125.04314	0.7
125.06007	4.7
127.03883	0.6
129.10252	5.3
135.24649	0.4
137.05971	1.1
145.05020	0.5
147.04372	0.5
149.05992	1.6
159.02989	0.4
161.05902	0.4
163.07579	1.2
167.07048	1.6
181.05002	0.8
187.07497	0.4
188.10530	0.4
191.07030	1.1
193.12086	0.9
201.05472	0.8
203.05283	4.7
211.12985	0.7
222.11333	2.5
241.11031	0.4
242.18669	1.0
269.08386	0.4
286.55508	0.3
302.00983	0.4
314.13873	0.6
342.37784	0.4
355.08081	0.4
373.18359	100.0
374.15491	0.8
374.19330	0.8
386.95685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.05511	1.7
57.03427	0.8
61.02917	1.4
67.05527	1.9
69.03419	2.2
69.07055	2.8
70.06573	1.1
71.04990	1.7
71.06058	1.8
79.05499	2.3
81.03400	1.8
81.07066	9.8
84.08121	0.7
85.02924	11.0
86.09750	1.2
91.05487	3.0
93.07069	6.0
95.08617	16.7
97.02910	3.4
99.04408	0.9
99.08105	5.8
104.36620	0.8
105.07034	9.0
107.08598	9.7
109.02920	1.0
109.10181	2.2
113.09640	2.6
117.07008	0.9
119.08598	58.0
120.11342	0.7
121.10155	1.9
123.08123	0.9
123.11720	3.3
127.03874	1.2
133.10150	82.5
135.11713	22.1
137.05954	1.2
137.09651	1.9
145.04977	1.9
145.10069	1.1
147.11697	2.1
149.13365	0.7
153.96536	0.9
154.12048	0.7
173.13339	0.9
175.14848	100.0
176.15201	1.3
182.12906	0.7
193.15913	20.6
194.16133	0.8
202.15852	1.7
206.11823	1.5
211.08731	1.3
211.16943	12.3
220.17075	2.5
222.09262	1.0
225.10410	1.0
239.11832	3.3
253.09827	1.8
267.11304	2.8
295.10754	1.0
299.15701	0.8
299.96161	0.7
313.11914	8.0
313.36203	0.7
341.11356	3.0
355.13217	0.9
373.13998	18.0
373.18219	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73890	5.5
63.09238	5.5
68.24529	5.6
69.33961	37.1
69.34388	13.1
72.76229	5.0
81.07072	9.7
88.58727	5.6
91.05486	12.3
92.41117	6.2
93.07051	9.4
95.04954	7.4
96.21485	5.2
98.21535	12.5
105.07040	14.4
107.08590	7.3
119.08587	18.0
128.06235	6.6
129.06990	13.0
129.07922	6.5
137.05995	100.0
145.06552	7.4
145.10144	14.1
151.07558	69.4
157.10150	10.8
158.07314	12.9
160.05220	7.7
172.08821	8.2
173.05952	10.0
174.06781	11.0
175.07568	20.4
177.05632	5.9
179.07054	9.4
181.06442	6.7
185.12984	5.7
188.08304	12.9
189.09129	20.4
193.10155	9.2
199.07611	6.2
201.09137	70.3
203.10693	8.6
217.40250	6.8
219.08072	6.2
227.07037	7.1
231.08206	9.8
231.10213	29.8
233.09517	6.9
233.13275	6.7
241.08624	37.7
246.10432	9.7
254.09377	17.2
261.09167	10.3
261.16293	7.5
262.09830	12.9
269.08066	20.9
270.08865	7.6
274.09930	8.2
278.09286	7.8
279.10101	7.1
284.10489	76.6
285.11295	36.2
291.10162	25.1
293.11694	10.8
294.12500	8.2
297.11234	13.3
305.11667	35.7
306.12466	22.6
307.09430	10.3
310.12109	14.5
322.12064	12.0
325.14331	36.6
337.14423	95.9
355.15372	44.9
373.25342	20.9
384.92642	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	373.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.2
67.05505	11.9
69.07094	10.4
70.06567	9.6
71.15179	8.5
71.52958	12.6
79.05470	12.6
81.07056	17.9
91.05468	18.0
103.05460	10.2
103.28639	8.5
107.08617	10.2
111.04453	11.7
120.08071	9.9
131.05017	10.6
133.55234	9.9
135.04405	14.8
136.65875	10.6
137.05991	100.0
151.03955	13.5
151.07515	33.8
157.06586	12.0
160.07635	13.6
161.05838	10.5
175.07498	11.9
177.05530	10.7
181.05043	13.2
188.08308	15.5
189.09113	21.2
201.09108	74.0
203.10608	14.0
231.10173	16.3
254.09244	9.4
261.09201	11.3
262.09769	16.2
270.08899	10.0
284.10388	35.5
285.11130	25.8
291.10092	16.9
293.11572	10.6
297.11017	15.6
305.11743	19.9
306.12234	13.7
325.10767	11.4
325.14401	26.8
337.14304	53.3
343.08026	29.6
350.66907	10.2
355.15445	32.2
373.12845	56.2
382.30545	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	373.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	3.9
56.96569	4.5
58.06616	7.6
69.07050	3.0
70.06584	5.0
72.08151	5.8
79.05511	4.1
81.07016	6.2
81.42833	3.4
90.66617	3.8
91.05485	5.2
103.05467	4.3
105.07046	8.0
107.04969	4.9
109.06513	4.6
116.98683	4.1
121.06488	4.6
122.03642	9.6
128.06177	3.7
129.07024	5.5
131.04990	6.8
135.04420	4.6
137.05994	100.0
145.06483	6.3
151.03937	9.4
151.07552	46.6
157.06482	10.5
158.07289	8.7
159.08031	6.2
159.70529	3.7
161.06038	4.1
165.05455	6.1
167.07101	4.5
171.08098	3.3
172.08873	9.0
173.06091	4.5
174.06812	5.9
175.07584	10.1
177.05518	6.8
177.09077	7.5
177.51660	4.0
179.07106	4.4
187.07565	12.0
188.08252	12.1
189.09135	15.3
193.08545	4.3
201.09129	54.3
203.10666	22.4
219.08066	7.5
221.09479	4.1
225.09160	6.7
227.07057	6.7
231.08145	9.2
231.10219	26.4
233.09702	9.6
238.13155	6.4
241.08571	17.9
246.10460	6.5
247.07721	8.3
248.08299	7.1
254.09398	13.6
261.09219	10.9
262.09888	9.5
263.07135	4.3
263.10739	8.9
264.07870	3.7
265.12274	8.2
267.10162	8.8
269.08081	12.8
270.08859	11.0
274.10034	4.9
275.10596	8.5
276.07950	4.0
277.12378	6.9
278.09366	6.1
279.10217	8.5
284.10437	40.4
284.13611	10.1
285.11209	29.9
290.09317	4.0
291.10309	17.3
293.11765	9.9
295.09381	4.1
297.11288	11.2
305.11765	32.6
306.12329	21.8
307.09775	8.2
310.11993	15.7
322.12128	4.5
325.14310	30.5
337.14340	59.2
355.15482	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.01873	2.3
67.05508	3.3
70.06594	1.4
70.63873	4.4
74.84163	1.2
79.05508	3.0
81.07070	3.0
91.05489	6.0
93.07047	1.9
94.04176	2.6
95.04964	1.9
97.06530	1.6
98.05965	1.2
103.05489	6.7
107.04967	5.0
108.05796	1.9
109.06554	3.7
115.05469	2.3
117.07064	1.9
119.28914	1.3
121.06556	3.6
122.03667	7.7
124.05275	2.0
128.06244	4.4
129.07034	13.8
131.04967	7.2
135.04437	1.7
136.05225	9.9
137.06000	100.0
139.07574	4.6
144.05710	4.5
145.06514	5.6
146.07272	5.1
149.05994	2.3
151.03937	3.8
151.07565	63.3
153.05568	1.6
157.06503	14.2
158.07277	9.9
159.04468	2.1
159.08067	2.1
160.05162	7.5
160.08887	1.6
161.06050	3.8
163.07591	5.3
165.05470	2.5
167.07115	3.4
172.05220	3.6
172.08852	5.6
173.06039	3.0
174.06808	18.5
175.07581	32.1
177.09122	8.3
179.07080	4.1
185.06073	2.1
187.07567	46.9
188.08321	9.8
189.09143	47.6
199.07623	3.3
201.09135	37.7
203.10698	21.5
205.08705	1.6
207.08142	1.9
213.09061	1.5
215.08669	1.6
217.08620	10.2
218.07329	2.0
219.08119	3.2
225.09198	1.6
227.07135	1.8
231.08049	2.8
231.10233	13.5
232.08846	1.9
233.09720	4.1
234.10532	2.5
241.08676	9.5
246.10580	2.4
247.07602	4.6
249.09044	2.5
251.10695	2.3
253.08667	2.6
254.09296	2.0
255.06596	1.5
261.09134	6.6
262.09952	8.2
263.10773	4.6
265.12350	2.6
267.10172	2.8
269.08142	7.6
270.09036	2.2
273.09286	1.5
274.09885	3.7
275.07278	1.9
275.10776	2.5
276.07919	1.5
277.12332	4.7
278.09320	1.8
279.10196	5.9
280.10834	1.6
284.10486	20.6
285.11282	7.5
290.09381	3.4
291.10266	10.4
293.11789	6.8
294.12521	5.0
295.09735	2.9
297.11310	6.1
304.05884	1.5
305.11728	18.0
306.12573	13.3
307.09634	5.3
309.11334	1.9
310.12033	9.3
322.12109	5.1
325.14371	22.2
337.14368	40.1
355.15469	17.8
373.12750	2.0
373.16797	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
64.52319	1.5
69.51364	7.9
87.75826	1.4
91.05483	4.7
94.04173	2.9
103.05478	6.5
107.04957	5.3
109.06529	3.3
115.05456	3.0
117.06962	1.7
121.06504	4.0
122.03665	8.3
124.05245	2.0
125.06039	1.9
128.06239	5.4
129.07053	12.1
131.04926	9.9
135.04375	1.7
136.05232	5.9
137.05986	100.0
139.07542	4.5
143.04938	2.6
144.05722	4.0
145.06505	4.2
146.07262	5.1
149.06081	2.1
151.03911	1.5
151.07552	62.1
153.05475	2.4
156.05586	1.6
157.06487	16.2
158.07278	6.6
159.04436	2.0
160.05244	5.6
161.05949	3.0
163.07530	6.9
167.07089	2.3
172.05211	3.8
172.08810	9.0
173.06006	3.5
174.06787	16.3
175.07574	23.9
177.05482	1.9
177.09123	10.7
179.07037	2.8
187.07559	24.7
188.08295	11.6
189.09117	44.7
191.10793	1.6
199.07506	1.9
201.09109	44.7
203.10678	25.2
205.08549	2.6
207.08139	1.6
211.07706	1.7
213.09171	2.2
217.08649	6.5
219.07979	4.2
219.10095	1.8
225.09129	2.1
231.08194	2.6
231.10214	13.5
233.09584	3.6
235.07712	2.4
241.08556	8.8
246.10591	2.4
247.07570	3.8
253.08655	2.2
254.09421	3.8
261.09137	6.2
262.09888	7.6
263.10751	3.4
265.12350	2.3
267.10187	2.2
269.08118	7.2
270.08655	2.2
273.09027	2.0
274.09909	2.9
275.10641	3.2
277.08948	2.1
277.12250	5.0
278.09399	3.2
279.10181	4.3
284.10452	25.9
285.11169	8.3
291.10257	8.2
293.11798	7.4
294.12585	3.5
295.09708	4.0
297.11050	7.0
305.11804	14.4
306.12482	9.9
307.09567	4.0
310.12003	6.3
311.12756	2.8
322.12015	3.5
325.14386	25.6
337.14365	35.3
342.99945	1.6
343.15259	1.7
355.15442	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	373.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29041	5.5
70.87653	9.2
70.88001	9.0
90.54460	5.9
95.04969	5.4
95.08613	6.9
98.20991	6.5
100.03539	5.5
108.33794	5.5
122.03727	5.7
136.05196	8.3
137.05992	100.0
147.04419	6.4
148.08070	5.6
151.03888	8.7
151.07590	50.5
157.06456	9.4
158.07286	11.2
160.05238	7.8
172.08884	6.0
175.07570	22.8
179.07076	14.9
187.07585	9.9
188.08337	12.5
189.09132	20.1
201.09125	63.0
203.10634	22.9
219.10225	8.5
225.08998	7.4
231.08203	10.1
231.10179	42.3
233.09622	11.6
241.08537	35.5
245.09633	7.2
246.10367	8.1
253.08533	7.9
254.09445	11.6
261.09137	20.4
262.10083	8.3
269.08157	19.4
270.08795	13.0
274.09702	6.4
277.12143	14.7
279.09988	9.9
284.10410	53.7
285.11395	29.8
290.09546	12.4
291.10217	23.2
293.11517	13.8
294.12485	7.0
295.09830	10.7
297.11264	17.8
305.11740	38.8
306.12433	19.2
307.09650	7.6
310.11987	15.4
322.12167	9.8
325.14319	30.0
337.14450	68.6
355.15378	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.165
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31311	8.1
69.31721	34.2
74.18189	4.8
84.38495	4.5
94.04180	5.5
98.17564	4.7
115.05450	5.4
122.03700	7.2
131.04985	7.3
136.05128	8.5
137.06004	100.0
149.06029	5.6
151.03961	4.6
151.07564	48.9
157.06554	9.3
158.07288	10.1
165.05548	5.3
174.06827	8.4
175.07596	16.6
177.09218	7.5
179.07043	6.5
187.07561	15.6
188.08295	14.0
189.09137	19.5
201.09146	54.0
203.10695	19.7
217.08516	6.6
231.08109	10.5
231.10207	27.9
233.09621	6.1
234.95856	5.2
241.08667	24.3
246.10370	11.4
247.07491	11.0
254.09409	9.5
261.09198	14.3
262.09946	8.7
263.10831	6.1
267.09967	5.6
269.08170	20.1
270.08868	9.6
271.35568	4.8
274.09949	7.9
277.12231	8.6
278.09369	6.2
279.10172	6.4
282.08740	5.6
284.10431	74.5
285.11182	33.4
291.10202	18.4
293.11789	11.8
297.11185	20.1
305.11719	41.1
306.12589	22.0
307.09653	7.8
310.12067	20.2
322.11874	8.0
325.14328	27.1
337.14380	76.9
355.15393	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	373.1286
Annotation	Glycosmisic Acid
Peak:m/z	Relative Intensity
51.02390	0.7
53.03948	2.0
54.80587	0.6
55.01870	2.6
55.05497	0.9
60.15211	0.5
61.31090	0.5
63.21746	0.5
65.03951	3.0
67.05508	2.7
68.99818	0.6
69.03439	1.5
69.07066	1.1
70.71199	1.8
71.05019	0.9
77.03945	0.7
79.05505	3.5
81.02981	1.1
81.03426	11.9
81.07074	3.4
83.04995	1.1
85.02912	3.2
91.05478	2.1
93.03391	1.5
93.07048	0.9
95.04990	1.9
95.08633	3.4
97.02905	1.2
97.06560	0.9
99.08127	1.3
101.64288	0.6
103.05488	1.8
105.07057	3.6
107.04974	1.1
107.08600	3.6
108.02112	2.4
109.02895	20.1
109.06536	0.9
109.10151	0.9
111.04452	1.3
115.05468	2.5
117.07019	1.3
119.07800	1.0
119.08598	10.8
122.03665	1.3
123.04466	0.7
123.11706	0.7
125.06037	1.6
127.03909	0.8
128.06236	2.6
129.07033	9.2
131.04947	2.6
131.08606	1.2
133.10149	13.0
135.04433	31.6
135.11742	3.4
137.05991	21.2
139.03862	0.8
141.05470	1.0
143.04938	3.9
145.06523	2.2
147.04428	1.0
147.08052	1.0
149.02376	14.8
149.03484	0.5
149.05975	1.2
151.03928	100.0
151.05045	10.4
152.04274	0.9
153.05447	2.1
155.04927	1.0
157.06493	11.7
159.04433	1.1
160.05263	1.4
161.06018	1.5
163.03891	0.8
163.07574	1.0
165.05534	1.9
167.07082	3.1
171.04425	3.7
173.05983	2.5
173.13206	0.9
174.06798	0.9
175.03934	0.8
175.07564	3.0
175.14859	20.0
177.09227	0.8
185.05887	1.4
187.07558	8.9
187.11252	1.5
189.05475	3.3
189.09120	2.0
190.07793	0.9
191.07060	3.8
191.08577	1.5
193.15918	2.1
201.05475	10.3
203.07060	13.0
205.08681	3.0
211.16946	0.8
213.05559	1.1
215.07179	0.8
217.06606	0.7
219.06543	2.4
219.08156	2.1
221.08145	3.8
227.10577	0.7
229.12268	1.7
231.06555	2.6
233.06070	0.8
233.08141	2.4
235.07573	0.8
237.09039	0.7
241.05026	0.8
246.06865	0.7
247.07643	1.8
257.08008	0.7
259.07623	1.6
261.09174	0.8
262.06287	1.0
263.07166	1.3
265.08661	0.8
267.10397	1.3
268.03708	0.7
275.07022	1.3
276.07791	1.0
277.08664	2.4
279.10217	1.7
282.08899	1.2
283.06030	1.5
284.06757	3.6
288.07867	0.7
293.08109	1.4
295.09695	2.0
305.08188	1.8
307.09738	4.9
309.11255	2.4
309.14740	0.7
319.09698	5.9
322.08325	1.0
325.10770	11.2
327.16052	0.8
337.10757	9.5
343.11725	2.6
355.11761	12.3
355.15552	1.1
373.12906	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	373.1286
Annotation	Glycosmisic Acid
Peak:m/z	Relative Intensity
51.02371	0.4
53.03930	1.2
55.01864	1.5
58.42340	0.3
64.05312	0.3
65.03948	2.1
67.05510	2.3
69.03410	0.5
69.29510	1.9
69.29935	1.4
70.22671	0.4
77.03931	0.9
79.05500	2.6
81.03429	11.6
81.07069	0.5
85.02959	0.4
91.05465	0.7
91.73141	0.3
93.03400	1.6
94.04205	0.7
95.04966	1.3
103.05466	1.4
105.03381	0.9
105.04543	0.8
105.36379	0.4
107.04957	1.1
108.02130	2.3
109.02888	1.4
109.06515	0.7
110.03716	0.4
111.04462	1.5
112.01634	0.5
115.05468	3.3
117.03452	0.4
117.07026	1.2
119.76964	0.3
122.03667	1.4
123.04427	0.8
125.06007	1.0
128.06233	2.7
129.07022	8.2
131.04942	2.0
135.04431	52.9
136.01604	0.6
136.04764	0.6
137.05994	25.2
141.05472	1.9
143.04941	4.9
145.06519	1.7
147.08102	1.0
149.02368	11.2
149.03331	0.3
149.06015	1.0
151.03928	100.0
151.05034	9.4
152.04337	0.8
153.05486	3.0
155.04900	0.6
155.06015	0.6
157.06499	11.4
159.04436	2.0
160.05219	1.4
161.05991	1.0
163.03976	0.8
163.07684	0.5
165.05507	2.8
167.07047	1.0
171.04417	3.9
173.05981	3.1
175.03906	0.5
175.07584	3.2
176.04639	0.5
177.05545	0.9
177.09143	0.9
181.05019	1.0
183.04457	0.7
185.06012	1.2
187.07567	8.7
188.04720	1.1
189.05481	3.2
189.09064	0.9
191.07063	3.6
191.08665	1.6
195.06560	0.7
196.82841	0.4
201.05493	10.7
202.06032	0.4
203.07040	19.8
205.06697	0.6
205.08598	6.6
207.08148	1.0
213.05580	0.8
215.07143	1.2
217.06557	0.7
219.06491	1.4
219.08287	3.2
221.08089	2.8
231.06531	3.3
233.08066	3.7
235.07587	1.5
241.05032	2.6
246.06677	0.6
247.07611	3.1
249.09335	0.8
251.10873	0.5
252.08070	0.4
259.07639	1.5
260.08749	0.4
261.09192	0.7
262.06332	0.5
263.07108	1.3
264.07867	1.3
265.08710	1.3
267.07034	0.5
267.10297	1.0
269.04468	1.9
275.07056	1.1
276.07947	1.1
277.08594	3.0
279.10190	2.1
282.08954	0.7
283.06027	2.6
284.06821	11.3
285.07721	0.5
287.07053	1.1
289.08679	0.5
292.07358	0.7
293.08182	1.3
294.08984	0.8
295.09659	2.5
304.07434	0.6
305.08032	2.7
306.08789	0.7
307.09677	3.7
309.11246	3.3
310.08466	1.4
319.09756	5.7
322.08426	0.7
324.09998	0.9
325.10748	12.0
326.10785	0.6
327.26950	0.4
337.10751	11.2
337.14688	0.7
343.11694	2.4
355.07608	0.8
355.11774	21.9
373.08334	0.5
373.12793	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	373.1284
Annotation	3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone
Peak:m/z	Relative Intensity
51.02393	1.0
52.81124	0.7
53.00303	0.9
53.03942	1.2
55.01869	2.3
55.05518	0.6
58.06602	1.2
59.32861	0.5
60.26908	0.5
65.03938	4.2
67.05502	1.2
68.99787	2.3
69.07068	0.6
69.44335	1.9
69.44746	1.9
70.06603	0.7
71.05002	1.2
79.05493	2.3
80.02119	0.5
81.03425	37.7
81.07065	1.7
85.02922	1.1
91.05474	1.9
93.03389	1.4
93.07053	0.8
94.04189	1.1
95.01331	1.8
95.04973	1.7
95.08627	1.3
96.16328	0.5
103.05466	1.5
105.03391	1.0
105.07039	0.9
106.45618	0.5
107.04969	2.6
108.02058	0.7
109.02861	1.3
109.06531	2.1
111.04456	1.7
115.05462	4.3
117.07020	2.0
119.04967	0.8
119.08607	1.1
121.02869	3.4
122.03670	3.3
123.04445	1.9
123.11710	0.8
127.03946	0.7
128.06216	2.7
129.07014	9.5
131.04950	2.4
133.06535	0.6
133.10141	0.7
135.04430	40.3
136.04793	0.6
137.05992	39.2
139.03915	1.4
143.04951	5.7
145.06523	2.8
147.04395	1.6
147.08105	1.0
149.02359	100.0
150.02681	1.0
151.03923	18.7
151.05051	1.6
151.07553	0.9
153.05486	1.0
157.06505	10.8
159.04431	1.7
160.05153	0.7
161.05980	3.1
163.03873	1.2
163.07635	1.0
165.05508	2.2
167.07083	2.4
169.12198	0.6
171.04413	4.3
172.05237	1.0
173.06046	4.0
174.06784	0.9
175.04001	0.7
175.07590	2.8
175.14842	1.2
177.05495	1.2
177.09082	0.7
181.04997	3.2
185.06024	1.5
187.03825	0.6
187.07573	3.3
189.05482	7.7
189.07129	0.8
189.09116	6.2
191.07048	1.4
201.05482	30.0
203.07050	28.6
205.08640	1.2
207.06406	0.7
207.08134	1.1
213.05479	2.1
215.07050	1.0
218.07422	0.8
219.06337	4.8
219.08182	2.3
221.08165	0.8
221.46402	0.5
226.06044	0.7
231.06514	7.2
233.08188	1.4
235.07648	0.9
241.04942	1.6
246.06836	0.9
247.07550	3.8
249.09192	0.7
259.07492	1.2
261.09235	1.0
263.07089	1.5
264.07870	1.0
265.08691	1.1
268.03687	0.7
269.04504	1.3
275.07117	1.4
276.07858	1.2
277.08597	2.6
279.10089	1.4
283.06012	1.9
283.09283	0.7
284.06793	8.8
293.08020	2.9
294.08966	0.8
295.09732	1.2
304.07617	0.9
305.08136	3.0
307.09781	3.3
309.11307	2.1
310.08411	0.8
319.09702	5.9
325.10733	13.4
325.14410	1.0
327.11810	0.8
337.10748	7.3
343.11517	1.3
355.07587	0.9
355.11765	15.2
373.08557	1.3
373.12943	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	373.1285
Annotation	3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone
Peak:m/z	Relative Intensity
53.00296	1.0
53.03939	0.6
55.01874	1.6
65.03940	3.7
67.17843	0.4
68.99793	1.0
70.69295	0.8
79.05489	1.0
80.13527	0.4
81.03432	9.2
81.75173	0.5
85.76196	0.4
89.20139	0.4
91.05474	0.7
93.03415	1.1
94.04166	0.6
95.01313	1.6
95.04942	0.4
103.05448	0.6
105.67992	0.5
107.04929	0.5
109.06516	1.3
111.04482	0.9
115.05476	2.9
117.06993	0.6
121.02882	1.8
122.03647	1.6
123.04428	1.4
125.02356	0.5
128.06245	2.1
129.07019	7.8
131.04951	1.8
135.04431	21.1
137.05991	28.4
139.03940	0.8
143.04953	4.3
145.06500	1.8
147.08095	0.6
149.02361	100.0
150.02667	0.7
151.03917	14.9
151.05005	1.0
151.07477	0.4
157.06512	10.3
157.76152	0.4
159.04517	0.9
161.06023	2.5
161.09634	0.4
163.03952	2.1
165.05495	1.1
171.04433	4.9
173.05963	2.9
174.06807	0.6
175.07620	2.4
185.05986	0.8
187.07562	2.3
189.05515	6.3
189.07159	0.7
189.09145	6.8
191.07010	1.0
191.08534	0.8
201.05489	18.8
203.07053	10.5
205.08621	0.9
206.28404	0.5
213.05542	1.1
215.07005	1.1
218.07381	0.5
219.06424	7.4
219.08110	1.2
221.08144	0.7
231.06509	4.0
233.08147	1.3
235.07579	1.0
246.06694	0.7
247.07593	2.0
259.07654	1.1
261.09146	1.1
262.06219	0.8
265.08600	1.0
275.07040	1.3
276.07785	0.6
277.08701	2.4
279.10123	1.3
282.08820	0.5
283.06210	1.0
283.09262	0.5
284.06833	3.1
287.07147	0.7
289.08563	0.7
293.08151	2.2
295.09671	0.9
297.10892	0.7
304.07278	0.8
305.08124	3.2
307.09741	1.9
309.11273	1.6
319.09647	5.5
325.10736	10.9
328.64038	0.5
337.10681	6.5
343.11768	1.0
355.11777	8.5
373.12863	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1285
Annotation	Glycosmisic Acid
Peak:m/z	Relative Intensity
50.00366	0.8
53.03947	2.2
55.01865	1.8
55.05503	1.0
58.06604	1.5
65.03940	3.7
67.05499	4.1
67.54079	0.9
70.06593	1.1
71.04992	0.9
71.52464	1.3
79.05487	2.7
81.03416	6.3
81.07060	2.7
84.08137	1.0
91.05477	2.6
93.07021	1.8
95.04990	1.5
95.08636	1.3
103.05501	2.4
107.04942	1.7
107.08601	1.9
108.02116	2.1
109.02885	2.2
109.06512	1.0
111.04446	2.7
114.13461	0.9
115.05479	5.3
117.07028	1.5
119.08636	0.9
122.03618	1.4
123.04445	1.0
123.11678	1.7
125.05944	1.7
128.06206	2.7
129.07014	7.1
131.04942	3.5
132.05736	2.0
135.04437	33.9
137.05995	24.3
141.05466	1.9
143.04932	3.8
145.06494	2.6
149.02351	12.4
149.06000	1.0
151.03928	100.0
151.05040	10.6
153.05449	2.2
157.06509	11.7
159.04395	1.6
160.05228	1.6
161.05960	1.6
163.03929	1.3
163.07535	1.5
165.05542	2.3
167.07043	2.8
171.04390	3.3
173.06009	2.8
175.07578	3.3
177.05446	1.9
181.05002	2.3
185.05975	1.2
187.07564	8.2
189.05484	3.3
189.09064	1.8
191.07101	6.5
192.07793	5.2
193.08638	1.0
201.05484	10.7
203.07047	11.7
205.06612	0.9
205.08598	3.9
219.06422	2.2
219.08231	1.3
221.08102	3.8
231.06537	1.5
233.08180	3.2
235.07573	2.1
241.05083	1.1
247.07721	1.1
249.09108	1.1
277.08633	1.9
279.10263	1.6
282.08804	1.4
283.05984	1.6
284.06860	3.0
287.07053	1.1
293.08029	1.3
294.08981	1.1
295.09628	2.2
305.08163	1.6
307.09644	3.7
309.11176	2.2
319.09561	5.7
325.10727	13.1
335.76849	1.0
337.10782	9.4
343.11816	3.0
355.11807	12.4
373.12762	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	373.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.0
55.01875	2.5
56.70241	0.4
57.03428	1.5
58.06589	1.0
61.02922	1.4
65.03944	1.1
65.46077	0.4
66.03458	0.4
67.05493	0.6
68.99779	0.9
69.03432	10.2
70.06583	2.3
71.04974	1.5
71.52925	0.6
72.08144	1.5
73.02908	2.4
79.05502	1.0
80.05017	2.9
81.03422	8.8
81.92638	0.5
83.04983	1.0
84.04504	1.0
84.08147	2.1
85.02911	19.7
86.09705	1.3
87.00839	5.0
87.04474	0.5
91.03930	0.9
91.05470	2.8
95.04972	1.0
96.06903	0.8
97.02892	5.2
98.97554	0.7
99.04453	3.1
105.01862	3.5
105.03353	0.5
105.07037	2.0
106.02951	0.5
107.04955	1.8
107.06043	2.5
109.02892	7.4
110.03661	1.1
110.07143	0.5
111.04433	0.5
117.01860	0.5
119.04897	0.8
119.08590	3.3
121.06501	0.8
123.04429	2.4
124.03955	2.1
125.06103	4.8
125.07117	100.0
125.93835	0.4
126.07400	0.5
127.03928	12.6
128.04276	0.5
129.01805	0.6
129.07018	3.5
130.05003	0.6
133.06509	4.6
137.06024	1.4
140.04689	1.3
145.02885	0.6
145.04987	4.1
145.06551	0.6
147.04440	2.7
147.08092	3.9
149.05965	1.6
151.03925	6.4
153.05548	0.5
159.02896	3.8
160.07593	1.6
163.03911	1.1
165.05475	3.3
165.09142	0.9
167.07057	1.3
169.04994	0.8
171.06564	0.7
172.07597	0.5
173.09322	0.5
175.03918	1.2
175.07495	0.9
177.05482	0.6
181.04961	23.3
189.04012	0.8
193.04974	18.9
193.08595	14.5
194.08899	0.7
205.05002	0.6
210.11336	0.6
211.06033	27.3
211.09598	7.3
211.11610	1.2
225.13226	1.0
227.08440	1.0
231.05023	1.0
235.06120	0.6
268.08151	1.0
289.06955	0.6
304.36514	0.5
310.15985	0.5
313.12665	1.0
327.16302	0.9
355.11417	0.6
362.25974	0.6
373.12543	2.0
373.17242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1283
Annotation	3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone
Peak:m/z	Relative Intensity
51.02375	0.5
53.00309	0.5
55.01871	1.8
55.05498	0.4
57.03440	0.3
58.47643	0.3
63.55009	0.2
65.03938	4.1
67.01839	0.3
67.05518	1.5
68.41309	0.3
68.99796	1.5
69.03425	0.6
79.05492	1.1
81.03423	8.7
81.07063	0.8
83.04974	0.4
83.08632	0.3
85.02901	0.5
91.05476	1.0
91.78062	0.3
92.80145	0.3
93.03393	1.1
93.07030	0.4
94.04169	0.5
95.01341	1.3
103.05464	0.3
107.04956	0.8
109.02901	0.7
109.06527	1.4
109.10173	0.6
111.04445	1.2
115.05466	3.4
117.07065	0.6
119.04955	0.4
119.08622	0.4
121.02860	1.7
122.03646	2.1
123.04443	1.4
128.06232	2.8
129.07016	8.5
129.07932	0.7
131.04941	1.4
135.04425	23.4
137.05991	30.2
139.03889	0.9
143.04918	4.0
145.06471	1.7
146.03711	0.5
146.07315	0.3
147.04439	0.7
147.08128	0.5
149.02353	100.0
150.02687	0.9
151.03918	16.4
151.05017	1.2
153.05530	0.4
155.06018	0.5
157.06503	9.2
159.04451	1.2
160.05220	0.6
161.05983	2.5
161.09612	0.6
163.03940	1.6
165.05472	1.1
171.04430	4.6
173.06006	2.6
173.11758	0.8
174.06772	0.4
175.04002	0.3
175.07599	2.2
177.05548	0.4
183.04477	0.4
185.06023	1.1
187.03940	0.6
187.07544	2.6
188.04637	0.5
189.05486	6.6
189.07123	0.7
189.09119	6.1
191.07108	0.7
191.08588	1.3
201.05484	21.2
203.07039	10.6
205.06587	0.6
205.08517	0.6
207.07965	0.3
213.05475	0.9
215.07066	0.6
217.06580	0.4
218.07356	0.4
219.06406	7.7
219.08153	1.3
221.08133	0.4
231.06526	4.5
233.06111	0.4
233.08038	1.8
235.07526	1.0
241.05031	0.5
245.06033	0.4
246.07079	0.5
247.07610	2.4
247.09987	0.4
249.09116	0.6
251.06993	0.3
251.10718	0.6
259.07553	1.6
261.09109	1.2
262.06174	0.6
263.07074	0.7
264.07904	0.4
265.08630	1.1
267.06509	0.5
267.10211	0.6
269.04321	0.5
275.07047	1.3
276.07715	1.1
277.08612	2.5
279.10239	0.9
283.05927	0.9
284.06821	2.9
287.07095	0.6
288.07654	0.5
289.08740	1.0
292.07486	0.4
293.08234	1.7
294.08774	0.3
295.09726	1.3
297.11307	0.5
304.07257	1.1
305.08054	3.3
306.08597	0.4
307.09552	2.5
309.07932	0.5
309.11127	2.0
310.08536	0.4
319.09695	5.2
322.08429	0.4
325.10721	11.3
337.10690	7.2
337.14572	0.3
343.11777	1.4
355.11761	9.5
355.16138	0.6
373.13251	1.5
373.18423	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01873	0.4
55.05491	0.4
57.03426	0.3
58.06591	0.3
65.03947	3.9
67.05517	2.3
69.03421	1.3
69.07083	0.3
69.62253	0.8
69.62644	0.6
70.06602	0.5
79.05486	0.3
81.03403	0.5
82.04211	1.4
83.04979	0.9
85.02915	3.4
86.09711	0.6
91.05510	0.4
93.03414	1.3
95.04974	1.9
97.02911	0.7
97.06544	1.7
98.20831	0.4
105.07024	0.4
107.04974	0.4
108.02089	0.9
109.02874	0.3
110.03682	1.5
111.04456	1.0
121.02856	0.5
123.04463	1.0
125.02354	0.6
125.05976	2.7
132.98914	0.3
135.04379	0.4
138.03136	1.6
139.03964	0.4
140.04709	5.2
142.02625	1.5
153.05516	2.5
155.07056	1.3
167.07051	0.3
171.04443	0.5
171.06561	2.0
173.05919	0.3
175.03990	0.5
181.04976	100.0
182.05363	0.6
199.06070	0.8
217.05096	0.4
223.06042	0.8
231.06554	0.4
235.06042	1.1
259.06088	0.5
271.06006	0.3
277.07120	0.8
289.07101	1.2
301.07022	0.7
319.08261	0.3
373.09164	0.4
373.18799	0.4
374.16049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01862	2.4
55.05522	0.7
57.03432	1.6
58.06591	1.5
61.02916	1.8
67.05490	0.8
68.99785	1.5
69.03432	4.8
70.06583	1.3
71.04993	1.6
71.39040	1.3
72.08157	2.1
73.02914	2.2
79.05502	5.1
81.03422	5.2
81.07050	2.5
84.08139	2.1
85.02909	22.6
86.09736	1.6
87.00833	5.6
91.05436	3.2
93.03410	0.6
93.07040	3.9
94.23678	0.7
95.04962	1.5
95.08607	2.3
97.02915	6.6
97.06500	0.8
99.04446	2.9
102.05523	1.5
103.03922	1.9
105.01862	4.3
105.07053	3.5
105.15575	0.6
106.02956	0.7
107.04962	14.0
107.08595	1.5
109.02868	5.6
109.63522	0.8
110.03683	4.1
111.03190	0.7
117.01819	1.4
117.06978	1.0
119.08600	5.5
121.06503	10.2
121.10133	1.0
123.04436	1.1
124.03947	1.7
125.05996	100.0
127.03918	11.4
129.01842	2.0
129.10304	1.3
130.05055	1.2
131.08574	1.5
133.10127	8.0
135.08038	2.3
135.11719	1.4
137.05980	6.2
145.02919	1.0
145.04964	7.0
145.06071	1.0
146.06003	0.9
147.02910	2.3
147.04454	1.7
149.05989	19.5
149.09663	1.7
153.89922	0.7
159.02892	4.2
159.08018	0.9
160.07565	1.6
161.06030	3.5
163.03935	1.9
163.07553	5.2
164.04185	1.3
167.07036	16.4
171.02934	0.9
172.07509	1.2
173.05974	1.4
175.07573	1.6
175.14804	12.5
177.05481	2.3
181.04993	3.0
181.08693	0.7
187.07549	2.6
189.03967	2.5
189.08728	2.1
191.07054	6.9
193.15898	1.8
195.06567	0.9
195.10130	1.7
201.05486	3.8
211.16920	1.6
215.07025	4.9
231.05101	1.0
233.08098	6.0
251.07368	0.8
294.11200	0.7
325.10864	1.4
337.15454	1.2
342.13422	0.7
355.18524	1.4
356.15298	0.8
373.18268	12.6
374.16281	0.8
379.04321	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01867	2.4
57.03432	1.5
59.18949	0.6
61.02916	2.1
64.62480	0.6
68.99792	1.6
69.03430	4.2
69.52336	2.6
69.52749	1.1
70.95052	0.6
71.05004	1.4
72.08163	0.9
73.02919	2.2
79.05507	4.1
80.37526	0.6
81.03428	5.5
81.07053	0.8
85.02915	16.6
86.09719	0.9
87.00833	6.0
91.05483	1.8
93.07057	2.1
95.04946	1.3
97.02908	6.7
99.04469	3.0
103.03941	2.0
105.01889	4.4
107.04966	8.8
107.71694	0.7
109.02883	4.2
110.03684	5.1
112.30598	0.6
115.74922	0.6
117.01892	0.6
121.06523	9.5
123.04399	1.1
124.03972	1.2
125.06007	100.0
126.06352	0.7
127.03939	11.1
129.01840	2.2
130.05022	0.6
135.08064	1.2
137.06004	2.7
140.18523	0.8
144.95476	0.6
145.04991	6.0
145.06265	1.1
145.06464	1.4
147.02895	1.7
147.04422	1.1
149.06003	21.1
149.09677	1.1
159.02887	4.9
161.06003	1.7
163.07596	2.6
164.01697	0.6
167.07071	15.9
167.08441	1.3
168.82083	0.6
173.06042	0.8
175.07623	1.3
181.04927	0.8
187.07568	2.1
189.04012	2.8
189.08754	1.4
191.07050	6.2
201.05545	0.9
215.07016	3.5
222.00304	0.6
222.11220	1.5
231.04991	2.1
233.08093	4.8
235.50893	0.6
351.13675	0.6
355.18686	0.9
373.18356	12.7
374.16159	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16155	6.1
58.06607	10.1
67.05495	9.9
69.07088	6.7
71.52525	8.6
72.08158	24.2
79.05495	8.8
81.07072	8.9
90.08984	7.7
91.05482	10.1
97.06518	8.4
105.07059	12.4
117.07034	6.9
123.04414	8.6
137.06004	19.7
137.92525	8.1
146.88885	6.8
152.56822	6.1
157.06480	17.0
160.05254	8.0
161.05899	10.3
161.66571	6.5
165.05545	39.2
169.10127	22.1
173.05978	13.4
174.06761	18.6
175.07529	6.6
187.07590	24.1
195.08006	9.3
197.09659	39.1
215.10693	27.6
266.75339	7.8
291.19492	10.8
354.16431	8.7
354.20691	100.0
372.18158	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	372.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47220	13.7
55.05511	23.4
56.05856	13.7
67.05495	27.8
68.05847	17.8
69.03422	17.1
69.75107	19.2
70.45745	14.9
79.05494	23.3
81.03402	23.9
81.07057	15.3
83.08576	14.8
88.54395	14.6
91.05488	33.0
97.06521	28.2
98.20638	30.7
106.50818	13.7
107.05001	17.4
107.08643	16.8
119.08679	16.9
123.04424	17.8
135.04431	100.0
136.04762	55.0
136.82518	13.8
137.04973	25.3
137.06013	27.3
149.02367	65.2
150.02661	35.2
151.03883	19.2
151.07500	23.9
157.06554	13.9
162.92635	14.4
165.05428	23.0
167.58200	17.3
186.28468	14.1
213.77623	14.3
292.12625	17.8
354.13663	17.2
372.14294	58.2
373.12466	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	372.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74522	0.4
58.06620	0.5
58.19767	0.4
60.05662	1.3
60.08171	22.9
68.05035	3.0
70.06605	3.0
71.23452	0.8
83.81357	0.4
95.06101	83.8
111.05541	0.6
112.89635	0.9
114.89378	0.4
116.07117	1.7
120.34977	0.4
130.09732	0.5
139.05083	0.5
154.13408	43.1
154.88336	0.4
161.65031	0.4
165.08995	0.7
175.11928	5.7
198.12402	100.0
199.12804	0.5
222.98817	1.6
305.65286	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.5
55.01870	4.3
55.05516	13.9
56.96555	13.1
57.03440	7.5
57.07058	4.1
59.80683	3.9
61.02909	7.8
63.66466	3.9
67.05511	17.6
69.03429	7.4
69.07058	8.2
70.87000	7.1
70.87335	5.1
71.05004	9.1
72.91742	4.0
79.05495	28.2
81.03425	19.8
81.07056	16.6
83.04964	9.4
83.08607	7.5
85.02908	9.8
85.06548	5.8
91.05483	22.6
93.07059	28.9
93.67988	4.2
95.04964	8.8
95.08627	9.6
97.06561	6.8
97.10179	13.3
99.04452	7.6
105.03404	100.0
105.04475	6.4
105.07030	12.6
107.05008	9.5
107.08620	9.3
109.02927	6.9
109.06535	5.7
109.10149	5.7
111.04475	7.4
113.06030	4.5
115.74233	4.0
116.10703	3.8
117.07037	7.1
119.08614	5.6
121.06527	33.0
121.10173	13.9
123.08155	5.0
125.09632	11.8
131.07034	23.3
131.08606	10.5
133.10123	8.9
135.04424	13.3
145.10092	7.2
147.11743	5.4
149.05949	5.0
151.07593	40.6
152.07899	30.8
157.06439	4.7
159.11794	4.6
163.03999	4.7
164.07898	4.7
165.09134	5.8
166.09529	7.3
166.46727	4.3
175.11258	7.8
177.12927	5.3
187.07617	4.6
188.08315	6.7
189.08705	11.3
189.11270	13.4
201.09134	6.7
203.10675	17.4
204.11078	21.0
205.12187	5.7
213.05435	5.0
215.10704	8.4
216.11040	6.5
221.15314	5.2
223.13318	16.0
227.12769	8.2
235.09711	7.0
239.09822	5.2
242.07922	5.2
257.10587	5.6
266.08804	4.7
267.09290	9.3
273.18439	4.4
283.08661	16.5
291.19540	8.1
294.11899	4.8
296.16534	14.4
301.09726	10.2
311.12820	4.5
312.12994	6.1
322.14505	6.8
322.85068	4.3
337.14224	5.8
339.15820	4.7
340.15482	18.9
347.14365	8.4
354.17841	14.8
354.26654	5.3
372.18420	7.7
372.27615	14.7
373.16788	4.9
373.23633	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01850	2.1
55.05514	1.9
58.06610	5.7
61.40788	0.9
69.06797	0.9
69.07071	10.8
69.34777	8.6
70.06586	1.9
72.08104	1.2
79.05484	4.7
81.03400	5.0
83.04959	2.0
84.04520	1.3
86.09710	100.0
91.05476	15.4
93.07051	8.4
95.04955	2.5
104.08530	1.0
105.07001	4.6
107.04945	3.7
107.08607	5.1
109.02885	2.6
109.06605	1.2
115.05460	3.0
117.07025	41.1
119.08581	8.6
121.06490	3.6
121.10159	1.8
123.04409	6.4
128.10704	4.1
129.07056	1.8
131.08583	16.8
132.10217	25.9
132.93214	1.0
133.06517	1.5
133.10117	7.6
135.08061	22.0
138.70044	1.1
141.06995	2.5
143.08569	2.4
145.06508	14.3
149.09656	5.9
156.10197	2.7
159.08061	33.9
161.09616	2.5
163.07565	13.4
169.06459	1.9
175.14818	3.4
177.00069	1.1
177.09091	12.7
181.04877	1.6
181.08551	9.9
187.07555	23.9
195.10210	2.0
205.08595	38.9
206.09085	1.1
223.09695	1.8
244.16968	2.3
246.18669	1.5
258.05670	1.1
262.18030	1.9
272.16498	6.6
287.15588	1.4
290.17526	45.0
299.24063	1.3
308.18561	34.8
309.18851	1.1
318.17020	5.7
336.18100	12.9
354.19183	7.6
372.14008	1.7
372.18512	4.2
378.72153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52689	1.5
72.08147	1.1
73.27638	0.9
79.05496	2.3
86.09724	1.3
89.03930	5.2
91.05478	1.5
93.07022	1.1
98.97599	1.0
101.09843	1.1
103.05511	1.2
105.07031	2.1
117.03397	18.0
129.40701	0.9
131.04901	1.2
133.06482	1.6
134.03622	1.3
135.04420	2.9
137.06001	1.4
145.02856	48.6
149.05975	6.1
150.06784	4.0
151.29689	0.9
165.09129	15.7
167.07094	1.5
177.05487	100.0
178.05705	1.1
186.05479	2.1
191.07111	1.2
196.13344	11.6
197.34500	1.0
202.21835	1.1
235.07423	1.2
246.29999	0.8
281.94073	1.1
310.11407	1.0
372.14157	1.4
372.18304	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	372.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.0
70.65541	0.9
71.05057	2.1
77.40029	1.0
79.05502	1.6
80.07542	0.9
91.05515	1.8
103.05470	2.7
104.22362	1.1
105.07027	3.1
119.04961	2.3
120.05735	1.1
121.06548	1.3
132.05739	4.2
133.06516	1.5
135.04425	10.5
137.06021	1.0
144.05721	2.8
147.04430	1.8
148.05191	8.3
151.03891	1.8
151.07570	5.7
159.08070	7.9
160.05211	3.0
163.07550	20.8
165.58565	0.9
166.08641	1.3
167.07066	1.3
168.07419	1.1
175.07545	0.9
176.04674	2.4
177.05414	1.5
189.09117	1.1
191.07048	100.0
194.08165	5.3
205.77673	0.9
216.10274	5.6
354.17130	13.3
372.18652	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70543	0.7
53.03954	4.1
55.05500	1.3
57.03431	2.2
57.59290	0.6
58.06583	0.7
69.03444	0.7
69.44104	1.3
69.44522	3.1
71.04992	4.7
72.08157	1.4
80.98274	0.6
81.03419	1.4
81.07072	0.9
85.06546	2.1
91.05487	2.0
93.07036	2.7
95.04974	4.1
99.04455	4.9
101.06006	0.9
103.05482	1.0
105.03397	100.0
105.07021	1.0
106.03726	0.8
117.06982	0.9
121.06513	25.7
131.04916	0.8
131.07048	26.5
145.06491	1.0
147.04478	0.9
151.07544	1.0
158.07210	0.6
173.09671	2.7
173.12033	0.8
175.11212	2.5
201.09096	1.7
207.06561	1.0
219.10167	2.1
225.09166	1.0
235.09669	6.0
242.11800	4.2
263.07132	0.7
266.11682	2.3
294.14929	2.4
296.16476	16.0
296.19815	0.9
322.14410	5.8
340.15463	22.5
354.16946	1.1
372.14279	0.6
372.18201	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	372.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
57.03442	25.5
59.05001	5.1
59.53101	1.5
60.04518	1.9
61.02930	4.2
69.03438	75.6
69.53429	10.4
70.06580	2.2
71.01345	1.7
72.08143	4.1
75.04514	2.1
81.03412	1.9
81.63886	1.7
84.08176	2.2
85.02913	100.0
87.04477	56.4
91.03966	3.3
97.02296	3.3
97.02903	55.9
97.03527	3.0
99.04451	4.6
103.03946	1.9
109.02914	8.1
109.03509	1.6
115.03943	77.8
123.04485	2.2
124.03934	2.0
124.71211	2.0
127.03938	22.5
133.04976	98.3
145.04977	41.5
145.05931	1.2
145.90196	1.7
150.07652	8.1
150.09088	1.7
163.03961	3.2
163.06027	22.8
163.07262	2.8
178.80298	1.8
181.04959	7.4
193.05049	1.9
193.08705	2.0
193.10655	2.4
210.11288	4.9
223.11749	5.6
224.12727	2.1
225.13455	2.1
241.07033	2.4
259.08093	4.6
277.09238	2.6
294.87988	1.7
295.10242	6.2
326.15860	3.1
335.18335	1.6
372.16650	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01865	0.9
55.63739	0.5
56.96544	1.1
57.03417	1.7
58.06582	2.3
59.06924	0.8
60.04502	1.1
61.02910	2.6
69.03092	0.6
69.03435	8.9
70.06570	2.2
71.51505	0.8
73.02901	1.0
81.03408	2.3
84.04463	0.7
84.08149	12.5
85.02908	14.5
86.09695	0.8
87.04469	1.6
91.05833	0.9
95.04946	0.8
97.02403	0.5
97.02905	6.1
98.01476	0.6
98.64118	0.6
98.97559	1.8
99.04449	0.8
105.07016	1.2
106.05017	1.4
109.02888	1.5
115.05523	0.6
116.07098	0.7
116.98611	0.8
123.04442	9.4
124.03912	0.8
124.07605	3.6
127.03945	2.8
133.06483	1.6
136.06209	0.7
137.05905	0.6
139.03931	4.0
145.04971	1.6
149.06000	1.0
151.03928	5.8
151.07549	8.1
153.05457	4.3
155.06853	0.6
160.07597	1.5
161.06013	6.6
163.03951	2.0
163.07564	0.8
164.07082	0.8
179.07054	39.5
181.04996	1.4
192.10225	7.0
210.11267	100.0
219.01857	0.7
224.12764	0.8
225.13289	0.7
237.02824	0.9
258.72192	0.6
288.56897	0.7
297.86298	0.6
354.15564	2.3
356.07217	0.6
372.16571	67.6
373.16837	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.01870	5.1
55.05506	6.4
55.24046	2.0
65.03957	3.2
67.05511	9.9
69.03424	7.9
69.07068	6.5
69.27427	8.4
69.27853	10.1
70.06590	4.3
71.04983	4.3
79.05504	18.9
81.03429	11.6
81.07062	8.9
82.03754	2.6
83.04985	5.0
84.08155	3.2
85.02902	3.2
86.09695	7.3
88.68686	2.0
91.05479	19.2
93.07063	14.4
95.04974	8.6
95.08619	6.7
97.02882	5.1
97.06536	13.1
98.36147	1.8
99.03921	1.8
99.04460	13.0
105.04523	2.4
105.07040	61.3
106.07375	2.6
107.04954	11.4
107.08600	23.6
109.06534	5.2
111.04420	3.2
111.12215	2.3
117.07043	8.6
119.04909	3.6
119.08589	6.1
120.08920	2.6
121.06520	32.7
123.04426	3.2
123.08076	2.3
125.06008	7.3
128.06230	2.1
129.07051	4.2
130.07829	3.3
131.04881	1.8
131.08568	8.8
133.06520	23.5
133.10168	10.8
135.04463	7.1
135.08055	5.9
135.11696	2.3
137.05997	9.0
138.06351	4.1
141.07053	2.8
143.07040	13.9
143.08560	7.4
144.09340	3.6
145.06519	10.7
145.10138	53.5
146.10684	2.1
147.11703	2.8
151.03908	5.6
151.07565	9.7
153.06981	2.6
154.07863	3.9
155.08594	5.5
157.06526	2.8
157.10110	3.6
158.07315	13.3
159.08028	11.2
159.11703	25.8
161.09641	6.3
163.11211	3.3
167.07085	4.9
168.07451	3.1
169.10133	9.5
171.08057	3.4
172.08795	3.7
173.09641	100.0
175.14873	4.9
179.08502	2.6
187.07599	2.7
187.11205	50.0
189.09116	3.8
191.10689	4.9
197.09566	12.2
202.09546	2.7
205.12267	33.8
215.10680	77.8
233.11748	71.3
245.80176	2.1
250.09441	2.7
251.12915	10.9
317.14014	2.3
322.11661	4.2
337.12952	7.0
354.13995	4.8
372.15076	7.0
373.13736	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	372.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58166	0.4
51.47776	0.4
53.03947	0.6
55.01847	0.5
55.05494	0.5
57.03423	1.2
58.06577	1.9
61.02923	2.2
63.12224	0.4
68.99800	0.6
69.03092	0.5
69.03432	6.5
69.28287	3.3
70.06591	0.7
71.04976	0.8
73.02905	1.2
73.04762	0.5
78.90266	0.4
81.03423	2.2
84.04494	0.9
84.08147	10.2
85.02908	13.0
87.04446	1.3
91.03932	0.6
95.04948	1.3
97.02407	0.4
97.02903	4.5
98.97593	0.8
99.04415	0.9
105.07010	0.7
107.04962	0.5
109.02847	1.5
109.06515	0.5
116.07031	0.6
119.01718	0.5
119.05038	0.5
123.03573	0.7
123.04432	10.9
124.03871	0.9
124.07566	1.2
127.03907	2.2
132.01120	0.5
133.06479	1.6
135.04381	0.9
139.03903	4.4
145.04942	0.8
146.60883	0.5
149.06004	1.2
151.03926	6.5
151.07532	8.0
153.05476	5.0
154.04886	0.6
160.07544	1.7
161.05984	8.0
163.03899	1.8
163.07561	0.6
164.10699	0.6
165.05508	0.6
168.06564	1.6
168.75839	0.5
179.07036	41.4
180.07437	0.5
181.04970	1.9
192.10187	7.2
193.04878	0.5
205.13371	1.0
210.11255	100.0
211.11597	1.3
224.12860	1.2
270.83990	0.4
326.15942	1.4
354.15753	2.3
354.19684	0.6
372.16547	72.9
373.16757	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.1
53.03951	6.5
58.06593	0.5
70.71854	0.9
70.72189	0.9
77.03931	1.3
78.03805	0.4
81.03423	0.6
81.07034	0.5
91.05478	0.6
95.04974	5.0
95.08601	0.4
105.03397	100.0
105.04539	2.8
106.03725	0.7
122.06036	1.5
149.02394	0.5
167.07080	0.4
179.08806	0.5
189.07019	0.6
190.07799	1.8
191.08569	17.0
208.08827	1.0
218.07507	0.8
218.09651	5.1
219.05959	0.8
219.08080	15.6
219.10071	0.7
220.08778	1.7
234.09337	0.5
236.08330	2.1
236.12891	0.7
251.10742	4.7
276.34955	0.4
281.64282	0.4
328.39771	0.5
340.13351	22.2
341.13809	0.9
345.09616	0.5
372.16129	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	372.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.01864	2.6
55.05510	1.7
57.03422	3.8
58.06584	1.6
60.04512	2.2
61.02928	2.3
68.05045	1.2
69.03440	9.7
70.06596	11.2
71.04996	2.1
71.52460	1.7
72.04504	1.5
72.08148	3.1
73.02897	2.6
78.93328	1.2
79.05486	3.1
80.05000	2.3
81.03407	5.2
81.07047	2.6
84.04510	7.3
84.08121	4.6
85.02443	2.0
85.02913	28.9
85.44730	1.2
86.06073	1.7
86.09682	1.5
87.00808	1.6
87.04472	2.5
91.05440	2.8
93.07063	2.5
95.05000	2.4
96.04487	1.3
97.02901	6.2
99.04466	2.1
102.05492	2.1
102.08710	1.4
105.07044	6.1
106.02885	2.2
107.04969	2.6
107.08574	1.3
107.60179	1.2
108.08115	6.9
109.02892	4.1
109.08890	4.7
110.06041	1.4
111.04401	1.7
117.07022	2.1
119.04900	1.4
119.08582	4.6
121.06474	3.3
122.06032	2.0
123.04452	4.7
123.08061	1.4
124.03957	18.1
125.06068	2.3
125.07105	17.6
126.09179	1.6
127.03897	6.5
128.07156	1.8
129.07063	1.6
129.65448	1.1
130.05003	3.5
133.06470	4.3
133.10120	5.6
135.04436	2.2
137.05997	7.7
138.05484	3.0
139.03906	5.3
143.08542	1.6
145.04977	1.9
146.09650	8.1
147.04388	1.7
147.08041	2.4
150.12787	4.9
151.03906	7.5
151.11136	2.3
153.05502	2.7
160.07666	2.3
161.05931	5.6
161.09599	1.4
163.03922	12.7
164.10707	8.3
165.05495	3.3
165.09047	3.8
167.07039	3.6
175.07582	4.6
178.08548	1.6
181.04938	5.8
182.08154	12.4
189.09053	2.3
192.13788	2.8
193.04997	6.0
193.08624	46.3
202.12248	1.4
206.11848	6.3
207.10229	3.7
208.09763	1.3
210.11258	60.7
211.05981	5.8
220.09735	1.4
222.11307	1.8
223.12057	1.2
224.10721	2.7
224.12833	41.0
233.08034	2.3
242.13922	9.3
251.09328	2.8
262.08621	1.7
262.14417	3.1
264.06546	1.8
266.08023	3.0
268.08109	5.6
272.13004	1.5
279.08920	8.3
280.09656	3.3
280.15393	3.9
290.13855	3.0
294.11206	6.1
297.10059	7.6
298.10623	1.9
308.14935	17.2
312.12488	12.5
324.08435	1.7
326.16000	47.8
336.14563	6.4
339.11163	1.6
354.15622	20.8
372.16879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1443
Annotation	Papaverrubine D
Peak:m/z	Relative Intensity
70.06567	0.6
71.31714	0.6
72.08128	1.2
73.04755	0.6
74.66776	0.4
84.08121	0.5
85.02905	0.5
86.25797	0.4
98.97578	0.4
107.30846	0.4
109.43990	0.5
123.05479	0.4
135.04366	0.9
136.06195	4.6
145.02815	0.6
145.04886	0.4
163.03923	2.7
204.23271	0.4
210.23216	0.4
217.51462	0.4
222.18445	0.6
242.11807	0.7
252.10156	1.1
264.10260	0.6
268.09659	1.4
270.11230	0.5
278.08286	0.6
279.08939	7.6
280.09589	1.5
281.10571	0.4
282.07660	3.0
282.10889	0.5
283.08255	0.8
283.86130	0.4
294.11316	0.8
295.12045	1.6
296.09415	0.5
297.09979	41.3
298.10718	5.9
310.14294	0.5
311.11539	0.9
312.12314	75.8
313.12817	1.7
326.13898	4.0
357.12158	1.0
364.11899	0.4
372.14444	100.0
373.14767	2.9
386.03271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.6
51.02385	0.7
53.03946	3.6
55.01873	0.9
55.05527	0.6
57.03445	1.5
57.46884	0.5
58.06609	13.3
59.05019	0.6
63.47599	0.5
69.03082	0.9
69.03439	12.7
69.51847	2.0
69.52272	1.3
70.06582	1.1
71.04989	1.2
72.08174	0.7
78.03462	17.6
79.04264	0.7
80.05022	1.3
81.03429	22.7
83.04996	1.2
84.04533	1.2
84.08176	0.8
85.02921	9.6
86.09681	1.1
87.04472	1.1
91.05471	0.8
93.07048	0.8
96.04498	2.3
97.02895	5.9
99.04471	4.0
104.58528	0.5
105.07056	0.6
106.02928	69.3
107.04921	0.8
109.02895	15.3
117.07039	0.6
118.42233	0.5
120.08190	0.6
121.06541	0.8
122.06083	0.8
123.21803	0.5
124.03968	100.0
127.03925	9.6
129.10295	0.6
147.07991	1.0
149.05991	0.8
154.05008	0.6
157.80524	0.5
163.07564	0.7
164.10675	0.7
165.09128	1.4
166.05034	0.8
192.10144	0.8
194.08098	0.6
196.06157	1.0
210.11378	1.4
211.07535	0.6
232.06119	3.4
235.01352	0.6
236.09154	0.7
239.07033	1.4
241.05061	0.7
250.07143	38.8
251.07471	0.9
255.32927	0.5
268.08191	51.4
270.13412	1.1
284.11362	0.7
344.17114	1.6
372.17242	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	372.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
52.33805	0.6
53.03952	3.9
55.01879	1.3
57.03439	1.5
58.06606	12.3
59.05002	0.6
69.03082	0.9
69.03438	11.5
69.03809	0.7
70.06573	0.8
70.34818	1.2
71.04990	1.2
73.02908	0.9
78.03465	16.2
78.82751	0.6
80.05019	2.3
81.03429	26.4
83.04991	0.5
84.04500	1.2
84.08142	0.7
85.02915	11.1
86.09708	0.9
87.04472	1.3
93.06999	0.6
96.04501	2.0
97.02900	5.1
97.62634	0.5
99.04476	4.2
100.42065	0.6
105.07036	1.2
106.02929	67.2
109.02895	15.5
119.08594	1.0
120.08146	0.7
124.03970	100.0
127.03929	9.7
127.17931	0.6
129.10222	0.8
145.05002	1.0
147.08170	1.0
163.65918	0.6
164.10847	0.6
165.09125	0.6
166.05077	1.6
166.08730	0.6
177.05435	0.8
180.05992	0.5
183.57990	0.5
195.13220	0.5
196.06110	0.7
204.97241	0.6
210.02954	0.6
210.11360	0.9
232.06126	3.5
239.07210	1.0
250.07140	37.7
267.06451	1.0
268.08188	50.1
270.13248	1.2
271.70016	0.6
284.11411	1.1
299.09344	0.7
344.17065	1.4
372.13242	4.3
372.16730	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	371.2069
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03955	0.9
55.01876	1.1
55.05506	0.8
57.03439	1.0
57.07076	0.8
61.02933	2.7
63.90266	0.4
67.05502	1.3
69.03438	5.0
69.07076	1.1
69.38314	3.9
71.04979	1.2
73.02909	0.5
79.05500	2.5
79.45330	0.4
81.03414	2.4
81.07066	4.5
83.05003	0.6
85.02920	19.0
87.04475	0.7
91.03955	1.1
91.05480	2.0
93.07064	2.9
95.05002	2.3
95.08640	1.7
97.02901	5.5
97.06535	1.2
99.04443	1.1
99.08107	0.9
105.07031	2.7
107.08608	2.5
109.02914	1.8
109.06534	100.0
109.10147	1.7
109.94789	0.6
111.08139	1.2
119.08616	1.3
121.06543	0.5
121.10159	1.1
123.08079	2.2
123.11760	0.7
127.03941	4.2
131.08603	3.9
133.10149	12.1
135.08080	5.5
135.11713	0.6
145.04976	4.9
145.10162	1.6
147.11703	1.2
149.09647	1.4
149.13301	0.8
151.11284	0.8
153.09129	11.4
158.10957	1.0
163.11232	0.5
167.07126	0.9
167.52777	0.5
173.13278	9.6
175.14900	0.9
191.14331	12.9
192.07814	1.1
193.15891	0.9
209.15408	13.5
300.09833	0.7
353.13885	0.7
371.20715	2.3
386.98209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88867	1.4
51.29000	1.9
53.03944	3.0
55.01868	3.2
55.05507	2.7
57.03432	3.1
58.41994	1.6
58.52101	1.7
61.02912	3.9
65.56095	2.1
67.05504	5.5
69.03433	13.6
69.07072	5.7
70.25134	1.5
70.69286	3.9
71.05003	5.5
73.02928	2.0
78.49243	1.6
79.05511	8.4
81.03412	5.3
81.07062	14.4
83.08624	2.4
85.02915	34.0
85.06554	5.7
86.62840	1.6
91.05483	16.6
93.07055	13.3
95.04975	2.0
95.08618	10.7
95.15238	1.6
97.02906	12.5
97.05977	1.6
97.06552	7.7
99.04472	3.6
103.05474	1.6
105.07040	22.6
107.04969	3.5
107.08606	13.9
109.02859	4.4
109.06533	100.0
109.09428	2.1
109.10165	5.7
111.08112	3.4
117.07040	5.2
119.08577	11.4
121.06542	2.0
121.10155	10.7
123.08115	4.3
127.03937	7.2
129.07030	3.5
131.08586	33.0
133.10144	93.3
135.08064	8.3
135.11739	6.5
135.30342	1.9
137.05965	10.5
143.08580	8.1
145.04984	7.2
145.10126	14.1
147.04388	2.3
147.11688	7.8
149.09721	2.8
149.13249	3.9
151.03937	1.9
153.09081	9.7
158.10930	8.8
161.13287	3.9
163.14848	13.2
167.07062	7.0
173.11771	4.1
173.13281	83.4
175.14839	2.9
177.05403	2.3
180.07936	1.9
187.03981	2.0
187.07518	2.3
189.12756	2.0
191.07019	2.2
191.14314	59.7
192.07845	3.2
193.15820	1.9
201.09096	2.7
209.15385	17.3
217.08621	8.0
227.63107	1.6
233.09668	2.6
239.07162	2.0
241.08720	2.2
247.09773	2.3
249.09138	2.3
261.09299	2.4
263.06955	2.4
285.07599	5.5
293.11630	2.2
300.10010	7.0
309.11069	3.3
353.13907	6.2
371.15311	2.7
371.20804	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	371.2069
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03936	8.5
55.01871	7.2
55.05522	26.2
57.03440	6.5
57.07072	19.7
59.05019	8.0
61.02922	7.5
67.05496	18.0
68.17413	4.1
69.03437	32.4
69.07078	40.8
69.29009	38.8
71.04981	10.2
72.08157	9.8
79.05506	32.6
81.03421	17.0
81.07069	94.6
83.04996	27.0
83.08630	77.1
84.08111	4.7
85.02530	3.8
85.02918	42.7
85.06539	9.0
87.04444	4.3
91.05482	17.7
93.07059	37.1
95.04973	23.0
95.08630	32.4
97.02892	13.0
97.06525	14.5
98.21523	8.7
99.04447	6.2
101.06068	4.5
105.07017	29.7
107.08606	54.2
109.02878	9.1
109.06525	82.3
109.10173	50.3
111.08102	19.2
111.63029	4.6
112.08747	4.9
112.64309	4.2
119.08585	14.4
121.10143	42.6
123.04442	5.0
123.08072	13.5
123.11739	27.0
125.09616	5.9
125.13270	14.4
127.03931	32.0
129.06990	6.8
131.08586	24.3
133.10159	66.2
135.08101	26.3
135.11674	10.0
137.05981	19.7
139.11215	7.2
143.08559	5.6
145.02879	8.1
145.04999	6.7
145.10139	10.8
146.03284	4.5
147.11725	10.8
149.09593	9.9
149.13284	59.9
151.07536	5.9
151.11197	13.9
153.09143	22.7
163.14819	19.6
167.07043	13.2
167.14339	80.7
169.12231	9.0
171.10184	9.5
173.13313	53.4
177.05486	16.2
178.05804	8.4
179.06035	7.7
187.07565	8.1
191.14336	100.0
209.15363	61.2
217.08644	14.8
227.16510	9.5
249.09363	5.6
305.17355	6.3
315.14590	4.5
321.11166	5.7
341.13934	4.4
353.13947	8.5
353.19846	7.7
371.16418	12.8
371.21136	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	371.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.6
53.24941	1.8
53.88536	2.3
55.01867	4.2
55.05494	5.3
55.21640	1.8
57.03426	5.9
57.07076	3.5
58.06604	2.4
61.02929	4.4
65.03922	2.5
67.05503	5.4
69.03436	24.0
69.07073	10.8
70.01376	10.3
70.06586	3.6
71.04986	7.9
72.08139	2.5
79.05486	8.9
81.03422	8.1
81.07063	18.8
83.04984	7.2
83.08624	4.7
84.08133	3.8
85.02915	42.1
85.06535	6.1
86.09703	3.6
87.04465	5.0
91.05459	14.0
93.07054	26.6
95.04978	3.9
95.08055	3.6
95.08614	36.4
97.02895	20.8
97.06536	9.4
99.04459	7.1
101.06029	2.7
103.05489	2.6
105.07040	32.5
107.08600	29.4
109.02888	4.3
109.06523	20.3
109.10165	8.1
111.04434	5.0
111.08087	4.1
113.06051	4.0
115.07585	2.4
117.07018	9.1
119.08585	20.5
121.06532	5.9
121.10162	14.2
123.04375	2.9
123.08055	5.2
123.11731	5.5
125.09663	2.2
127.03899	9.3
129.07040	3.4
131.08574	33.7
133.06488	2.0
133.10146	81.3
134.10570	1.9
135.04411	8.4
135.08084	7.1
135.11679	11.3
137.06039	2.3
139.03938	2.6
139.07535	2.9
143.08562	8.9
144.09413	2.2
145.04935	9.8
145.10162	16.1
145.14133	2.0
147.11690	7.6
149.05942	2.4
149.09610	7.1
149.13274	8.3
151.03944	5.0
151.07513	2.9
151.11208	7.5
153.09091	3.0
158.10970	14.1
161.05981	3.1
161.13315	10.8
162.27835	2.3
163.11240	3.5
163.14822	26.8
165.01831	2.9
167.07069	6.9
169.76401	2.3
173.13280	100.0
191.14316	86.4
193.08632	6.4
201.09152	5.6
209.08160	2.8
209.15385	19.5
219.10117	2.7
283.06024	9.2
284.06265	2.9
285.06735	3.9
287.07132	4.9
297.07541	4.6
305.17477	5.8
316.22687	2.0
325.06870	2.7
353.13574	2.3
371.07385	4.6
371.17056	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.5
55.84216	0.4
57.03438	0.4
57.07082	0.9
57.07332	0.4
58.06598	1.3
59.82292	0.3
67.05514	0.7
69.03428	1.1
69.07063	1.3
69.58249	2.3
70.06589	1.7
71.04994	0.5
71.24644	0.4
72.08153	1.0
73.04771	0.5
74.99228	0.3
79.05482	1.1
81.03413	0.7
81.07047	0.7
82.06583	1.1
83.04981	1.1
83.08638	1.8
84.04494	0.8
84.08130	1.1
85.02898	1.7
85.06531	0.5
86.09695	0.6
91.05470	0.9
93.07076	0.9
94.06581	0.5
95.08598	0.5
97.02905	0.5
97.06538	0.4
98.09719	0.4
98.21521	0.5
98.97581	0.7
100.02206	0.4
100.07632	3.6
100.11274	6.2
105.07031	1.0
106.06539	0.6
107.04958	1.1
109.02846	0.5
109.10143	1.5
110.07166	0.4
110.58578	0.3
111.04458	4.3
112.07625	0.6
117.03380	0.6
119.08578	0.9
121.10157	0.6
123.04465	0.4
124.03961	0.4
126.09175	0.6
127.03915	0.5
128.07098	3.3
128.81021	0.4
129.05525	0.4
130.05032	0.6
131.04965	0.4
131.08582	0.4
133.02916	0.6
133.10094	0.5
135.04387	0.5
135.08043	0.4
135.90086	0.3
137.05972	0.6
140.07051	1.2
145.02844	0.7
145.10197	0.4
149.06078	0.4
149.09633	0.9
151.04002	0.4
153.05518	0.6
160.07578	2.7
160.91444	0.4
161.06055	0.5
163.03940	1.9
167.07018	1.3
177.05518	0.8
178.09064	0.5
179.03386	0.6
179.05995	0.8
182.03743	0.4
182.08167	0.6
182.15437	7.6
189.09200	0.5
191.10629	0.5
192.07861	0.6
206.11818	0.5
207.06769	0.5
209.04619	0.7
209.11676	0.8
209.16595	0.9
210.14917	11.2
217.04948	0.6
224.12746	0.4
227.17459	2.4
228.16113	0.8
232.09656	0.4
233.10104	0.5
237.02785	0.6
242.13815	0.4
244.20233	1.9
279.10565	1.5
312.21124	0.4
336.22897	1.1
337.21326	3.8
341.15732	1.2
353.17126	0.7
353.25546	0.6
354.23895	7.6
371.16803	100.0
371.26492	6.4
372.17105	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
56.18340	1.2
69.80444	5.2
74.26424	1.1
79.05504	4.1
91.05512	1.8
95.04976	1.7
104.67496	1.3
104.86301	1.1
107.04953	2.4
111.04388	1.4
115.05442	2.2
117.07011	2.0
117.40355	1.4
129.07062	2.1
135.04430	100.0
137.05968	2.9
143.04910	1.3
147.04506	2.3
149.02350	2.4
149.06020	2.2
151.03935	2.8
151.07568	17.3
153.05580	1.6
157.06506	4.4
159.04445	2.8
159.08081	1.5
161.05998	2.1
163.07556	1.6
165.05412	1.9
165.09027	1.4
167.03406	7.7
167.07080	2.3
172.08894	2.1
173.05983	8.8
173.20357	1.1
174.06827	2.2
175.03978	2.0
175.07547	3.0
177.05531	1.4
179.07086	2.7
185.05890	2.0
187.07596	3.1
188.08313	7.7
188.09792	1.3
189.09100	4.9
191.07100	1.5
201.09126	26.0
203.10643	10.0
209.05908	2.2
211.07457	1.8
213.09048	2.0
215.08658	1.6
215.81244	1.2
217.06477	1.1
219.08089	3.8
225.09128	1.8
231.08083	3.4
231.10216	14.9
233.09705	4.2
234.10423	1.3
235.07529	2.4
237.05663	1.3
239.07063	3.7
245.09619	2.5
246.10432	3.9
247.07532	2.9
248.08353	1.4
249.09123	1.7
252.07770	4.6
253.08691	1.5
259.07138	1.4
261.09134	6.0
262.09927	4.4
265.08517	1.4
265.12335	2.1
267.06589	1.8
268.07343	5.0
273.09091	2.7
274.09741	3.3
275.07031	1.8
276.07870	1.6
277.08804	2.7
277.12320	4.6
279.06256	1.5
282.08902	10.5
283.09647	12.7
286.36322	1.2
289.08633	6.8
290.09424	2.5
291.10052	1.9
292.10983	3.2
293.08087	2.0
293.11731	2.7
295.09647	3.5
303.10205	5.3
304.10995	9.9
305.08389	1.6
305.11703	7.8
308.10385	6.7
309.11212	2.2
320.10434	3.1
323.12830	9.4
335.12836	23.6
341.10034	4.0
353.09793	2.1
353.13849	20.3
354.14127	1.5
371.06601	1.7
371.11197	19.7
371.14813	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	Fragransol D
Peak:m/z	Relative Intensity
53.03935	1.1
55.01878	1.5
55.05501	0.8
56.96560	0.9
57.21569	0.6
67.05502	1.9
68.99802	0.9
69.03421	1.8
69.07069	1.0
70.68263	1.4
71.04993	0.6
79.05498	4.6
81.03404	1.8
81.07050	2.0
83.04974	0.8
85.02911	2.7
86.09692	0.9
91.05461	2.8
93.03377	0.9
93.07040	1.8
95.04966	1.8
95.08606	1.8
97.06525	2.3
98.97649	0.6
103.05394	0.8
105.07007	1.9
107.04958	7.8
107.08602	1.5
109.02875	1.8
109.10152	1.5
110.03661	1.3
111.04443	3.7
113.42626	0.7
115.05440	1.9
117.07001	0.9
121.02899	0.7
121.06495	1.2
121.10129	0.9
122.03623	0.9
123.04456	1.6
124.05167	1.8
125.06004	8.8
128.06250	1.6
128.19655	0.6
129.06995	2.9
130.21194	0.6
131.04918	2.0
131.08556	1.8
132.05702	0.9
133.06491	2.1
133.10083	0.7
135.04420	7.8
137.05995	7.5
138.03156	4.6
139.03915	7.8
141.05481	1.1
141.06992	1.0
143.04872	1.1
143.08563	0.9
144.05690	2.1
145.06516	3.4
147.04428	1.6
149.02383	0.9
149.06018	1.1
151.03874	1.1
151.07541	8.5
153.05478	46.0
155.04926	0.9
156.05721	1.9
156.97903	0.6
157.06502	9.6
158.07312	8.7
159.08087	5.2
160.05194	1.2
161.05977	3.7
163.03856	1.1
165.05504	1.0
167.03363	1.7
167.07063	20.4
169.05045	1.1
169.06435	0.8
171.08011	1.1
172.05194	1.2
172.08888	3.1
173.05975	2.9
173.09680	0.8
174.06770	1.8
175.07532	4.4
177.05478	2.3
177.06897	0.6
179.07024	1.4
179.08542	0.7
181.04996	0.8
184.05029	0.8
185.06059	0.8
186.06773	2.2
186.09143	1.9
187.07578	9.9
188.08333	5.2
189.09111	5.6
191.07025	5.6
191.08575	1.3
191.10628	0.9
192.07806	1.6
193.08542	1.0
195.06490	0.9
195.08098	1.1
197.06007	1.3
198.06741	0.7
199.07578	1.4
200.08266	0.8
201.09119	100.0
202.07921	1.4
202.09869	14.2
203.08746	1.2
203.10631	10.7
205.06546	1.3
205.08502	0.8
206.07321	1.8
207.08087	2.2
208.08798	0.7
209.09645	1.2
211.07553	0.9
213.09045	1.5
214.10004	0.8
215.06885	1.4
215.10524	0.9
217.04973	3.2
217.08589	4.3
218.07274	2.4
219.08136	3.4
221.09615	2.1
222.10445	0.8
223.07547	1.8
225.09090	1.6
226.06107	1.3
231.08052	1.6
231.10194	7.4
232.08795	1.4
233.09615	1.6
234.06839	2.7
234.10300	0.7
235.07527	4.0
236.08311	1.0
237.09183	1.5
238.09882	1.2
239.07060	1.5
239.10652	1.2
241.08641	5.1
246.06767	1.0
247.07532	2.3
248.08267	0.9
249.09117	10.3
250.06313	1.4
250.09818	1.4
251.06973	3.0
251.10623	1.0
252.07779	1.2
253.08508	1.1
255.06557	0.9
259.07401	0.9
260.08459	1.3
261.08990	3.8
262.09973	2.3
263.07071	5.0
263.10641	0.8
264.07855	1.0
265.08609	2.2
265.12210	1.3
266.09451	2.0
267.10114	1.2
269.08017	1.8
270.08954	0.8
274.06268	0.7
275.07025	1.4
275.10602	0.9
276.07968	0.9
277.08627	12.7
278.09381	7.5
279.06516	4.3
279.09732	1.4
280.07269	1.9
281.11707	3.8
283.09830	0.9
285.07571	4.5
286.08481	0.9
289.08701	3.2
290.09372	2.5
291.06610	1.4
291.10089	1.5
292.07275	1.1
293.08408	1.2
293.11731	5.8
294.08813	2.9
295.09631	3.4
300.09915	4.8
301.10736	2.7
305.07996	1.0
306.08890	2.5
307.06573	0.7
307.09772	3.5
309.11218	12.5
310.11816	1.5
311.09174	2.8
311.12506	0.9
313.10663	1.8
321.11230	13.6
322.11935	2.1
323.09180	5.3
325.10614	0.9
326.11435	6.9
338.11450	3.2
339.12228	1.1
341.10385	0.9
341.13861	18.5
353.09821	1.3
353.13870	22.1
353.18506	1.2
354.13715	0.8
371.11078	2.9
371.14963	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	371.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.5
57.07067	21.0
67.05499	6.5
67.94030	4.7
69.07072	9.8
70.43891	4.9
71.08609	10.1
79.05486	13.7
81.07050	9.8
91.05472	10.0
93.07058	7.0
95.08604	6.5
101.06050	5.0
105.07039	6.9
107.04985	8.8
109.10192	11.2
129.05504	6.4
129.06944	8.5
131.08560	8.8
135.04437	7.3
137.06006	85.8
141.07011	7.3
144.05725	8.7
147.06583	4.8
151.03885	6.2
151.07570	11.7
156.05653	12.3
157.06487	5.5
159.08087	15.1
167.07048	30.9
175.07498	16.0
177.26904	5.6
187.07523	21.1
195.06474	5.7
195.08102	12.9
197.05849	6.6
201.09135	5.6
205.08533	7.9
206.07217	6.0
211.07571	8.1
217.08609	53.4
218.07251	5.9
219.08154	6.3
221.09589	6.7
222.06775	7.2
224.08234	5.9
225.05550	11.6
226.06351	8.2
230.24829	6.3
231.08278	5.7
232.09010	5.9
233.09509	11.7
234.06732	7.4
235.07468	9.5
237.09126	14.8
239.07133	26.8
240.07852	28.5
241.08569	14.1
247.09645	15.8
249.09097	10.0
250.06270	5.8
250.09837	6.5
255.10162	26.6
260.08466	5.6
261.09125	24.3
263.07080	13.5
265.08710	9.9
268.07373	14.4
269.08206	6.1
270.08710	6.7
277.08533	18.2
278.09366	11.6
279.10059	6.4
282.09027	8.3
283.06647	7.7
283.09689	100.0
285.07614	58.6
289.08508	6.8
293.11649	21.1
300.09894	67.2
301.10599	15.9
306.08893	8.2
307.09677	5.9
309.11118	16.1
313.10773	10.4
321.11200	23.9
322.11865	6.5
326.11374	11.6
341.13812	11.8
350.66711	5.5
353.14023	52.8
370.40436	62.0
371.15033	29.4
371.40790	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.1
55.01869	1.6
55.05539	0.9
57.03431	0.8
58.54295	0.9
61.02921	3.0
65.95692	0.9
67.05508	1.1
69.03439	6.9
69.37016	6.7
71.04990	2.0
73.02911	1.1
78.04695	1.4
79.05135	0.8
79.05496	8.3
81.03403	3.0
81.07056	4.6
83.05003	1.3
84.08141	1.2
85.02431	1.4
85.02911	18.6
85.06553	1.1
91.03972	1.3
91.05496	5.5
93.07053	2.2
94.04171	1.3
95.04942	2.0
95.08595	2.8
97.02907	5.2
97.16184	0.8
99.04477	1.9
103.05464	3.0
105.07041	6.3
105.15376	0.9
107.04958	11.3
107.08591	1.9
109.02877	1.8
109.06524	100.0
109.10088	1.2
115.05396	2.2
116.06240	1.3
117.06967	1.1
118.19781	1.0
119.08564	2.6
119.38140	0.8
120.08114	8.6
121.06479	1.8
121.08429	3.3
121.10134	1.8
122.03648	1.8
123.04436	5.7
123.08068	3.2
124.05219	2.0
125.05941	1.2
127.03889	3.1
128.06227	3.9
129.07028	8.2
131.04935	5.4
131.08578	5.0
132.05754	4.6
133.06479	3.7
133.10100	4.0
135.04440	1.2
135.08046	5.0
135.11674	1.1
137.05988	19.8
137.09563	1.4
141.06995	1.6
144.05714	2.2
145.04976	6.6
145.06487	2.0
147.04359	1.5
147.08057	1.6
149.05980	1.6
149.09547	2.2
151.03893	3.3
151.07541	1.6
152.04736	1.2
153.05489	1.2
153.09132	11.3
155.04817	1.0
156.05667	5.5
157.06444	1.5
159.04395	1.2
159.08104	6.3
160.05180	2.9
161.06007	6.9
165.05429	1.7
165.12790	1.0
167.07050	55.4
168.07350	1.1
168.62083	1.0
172.05199	2.4
173.13246	3.4
174.06781	2.3
175.07585	11.1
177.05473	3.0
177.10236	2.3
178.07738	1.9
178.10539	2.0
179.07042	1.8
180.07831	2.7
185.05887	1.3
186.06882	1.2
187.03883	2.2
187.07561	18.0
189.07098	1.7
189.08995	2.1
191.07045	4.6
191.14291	9.1
192.07841	7.1
193.10149	1.2
193.15903	2.0
199.07567	4.1
202.06157	1.2
202.07837	1.2
203.08548	3.2
205.06467	1.5
206.07266	3.1
207.08195	2.2
209.07954	1.2
209.15373	17.0
211.07596	1.9
215.08688	1.2
217.06609	1.5
217.08580	17.0
218.07233	3.8
219.08040	3.1
219.10165	3.0
221.09668	5.4
223.07541	2.2
230.85403	1.0
231.08000	3.2
232.08786	1.9
233.06053	1.1
233.09689	4.9
234.06747	3.8
235.07497	3.2
239.06982	4.0
241.08545	2.0
246.06656	1.6
247.07500	2.6
247.09659	4.6
248.08453	1.7
249.09183	7.0
250.09894	1.7
251.07036	2.2
252.07841	1.6
257.07993	1.2
259.07397	1.2
260.08432	1.7
261.09076	6.2
262.06259	1.3
262.09720	1.1
263.07068	2.7
265.08435	1.0
266.09433	1.7
274.06046	1.0
275.07101	1.3
276.07779	1.4
277.08594	5.4
278.09393	3.3
281.08978	1.2
281.11676	6.7
285.07590	9.9
289.08563	3.7
290.09354	1.2
291.10135	1.7
293.11703	5.9
294.09027	1.2
295.09738	1.5
300.09958	15.2
301.10693	3.2
306.08932	1.9
307.09509	2.4
309.11218	10.6
311.09186	1.2
311.12567	1.1
313.10718	1.9
321.11203	9.1
322.11880	1.2
323.09100	1.6
325.14130	1.4
326.11429	6.1
341.10086	1.9
341.13858	12.9
353.10376	1.3
353.13846	13.8
371.14871	7.1
371.28790	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10334	2.0
57.07071	3.3
67.05439	1.9
69.07062	5.5
69.39836	4.4
69.40255	10.0
73.74259	1.7
79.05493	2.3
81.07026	3.2
83.04964	2.5
95.08581	3.8
105.07016	2.3
107.08582	1.9
121.06610	1.8
129.06966	2.4
135.04427	17.5
137.05971	8.9
151.03897	5.7
151.07561	9.6
160.08936	2.0
165.05507	2.6
173.05995	3.3
175.07527	2.1
181.06363	2.2
187.07578	4.3
189.09134	2.9
194.07208	3.9
195.08147	10.4
197.05934	5.5
201.09102	8.2
203.10678	2.9
210.06732	2.7
211.07594	2.7
212.08324	4.9
217.08652	2.3
219.08092	1.8
222.06824	5.5
224.08324	7.2
225.05496	6.1
225.08963	3.7
227.12694	2.7
231.10127	4.8
235.07581	2.5
237.09073	9.0
239.07071	4.2
240.07861	21.1
251.07133	2.1
253.05081	2.9
253.08537	2.1
254.09361	4.4
255.10172	23.9
255.13686	3.6
261.08997	2.1
265.08670	8.4
265.11508	1.8
268.07294	10.3
268.26276	1.9
270.09042	3.0
277.08469	4.7
282.08871	4.8
283.09671	100.0
285.11194	7.6
285.14417	1.9
291.09918	4.3
293.07916	2.3
293.11530	2.4
295.09573	3.5
300.09821	3.6
303.10092	3.6
305.11691	4.0
307.09653	4.2
308.10480	2.1
321.11264	4.0
322.12216	2.3
323.12790	5.8
335.12915	8.7
353.13846	13.7
370.40479	5.0
371.14871	10.9
371.41055	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	371.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.1
65.07726	5.1
67.05525	8.6
71.05576	5.3
71.52828	6.7
73.06044	4.8
74.05822	5.1
79.05499	11.0
81.07078	6.1
83.04985	5.2
85.16409	5.0
91.05481	7.1
93.07036	6.2
95.08611	8.8
101.06072	5.8
111.04399	6.5
117.06985	6.1
129.05537	9.1
133.10146	5.5
135.04434	100.0
137.48178	5.5
148.03987	5.7
149.06038	8.6
151.03975	10.6
151.07559	35.9
157.06538	8.9
158.07271	10.2
165.05457	9.2
173.05975	20.3
187.07471	8.1
188.08325	13.9
189.09085	13.2
201.09158	49.4
203.10648	10.4
231.08116	11.3
231.10207	29.4
233.09644	9.0
239.07095	7.7
242.07292	5.7
247.07520	7.4
249.08855	5.5
261.09158	14.0
262.09998	8.7
267.06299	7.6
268.07336	7.5
268.26410	9.6
278.09232	6.9
282.08939	20.5
283.09747	23.0
288.97464	6.1
289.08551	17.1
291.10266	6.1
291.22971	5.6
295.09537	7.1
303.10086	8.2
304.10962	16.4
305.11743	23.3
308.10367	14.6
323.12698	26.2
335.12686	38.2
353.13916	38.5
353.27008	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	371.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
55.05496	2.6
57.07074	1.6
67.05500	3.3
69.03450	2.4
69.07076	11.7
70.07262	4.5
79.05492	3.8
81.03398	1.4
81.07050	4.2
83.04980	12.6
86.72243	1.2
91.05470	4.0
93.07047	4.4
94.04190	1.2
95.08607	4.2
98.21378	1.3
103.05456	2.6
105.07024	3.6
107.08598	2.4
108.05728	2.3
109.10173	1.9
113.05987	1.0
115.05437	2.5
117.07014	2.7
119.08564	3.0
121.06474	1.9
121.10120	2.0
122.03659	1.4
123.08043	2.1
128.06242	1.9
129.06989	2.5
131.04930	4.8
131.08566	3.2
131.20528	1.1
133.10088	2.4
135.04453	7.1
135.08075	2.1
136.05220	3.8
137.05991	23.6
137.13275	2.1
139.07559	2.0
141.07010	2.9
142.07701	1.3
143.08527	1.9
144.05638	1.2
145.06458	3.6
145.10164	1.2
147.98802	1.4
149.05984	1.9
151.03923	50.5
151.05023	5.0
151.07552	47.9
153.07030	2.6
155.08583	1.2
156.09367	1.4
157.06476	2.7
157.10153	1.7
159.08067	2.4
159.11707	2.0
163.04051	1.0
163.07608	5.4
164.26219	1.0
165.05505	15.1
165.06886	2.3
166.07767	1.5
167.08528	3.0
169.06482	2.6
169.10118	1.3
171.08133	2.6
172.05220	1.6
172.08804	1.5
173.05984	2.2
173.09698	1.9
174.06792	2.1
175.07538	10.2
177.05634	1.1
180.09361	1.4
181.06488	4.0
181.10117	2.1
182.07240	1.3
183.08089	2.1
183.11678	1.3
185.06065	1.3
185.09610	1.4
187.07571	20.8
188.08243	1.4
189.09125	6.5
193.06557	1.0
194.07275	3.9
195.08046	11.7
195.11742	1.8
197.05992	8.1
197.09663	2.9
199.07582	3.2
201.09062	7.3
201.12804	1.2
203.08601	3.3
203.10649	2.3
203.31091	1.1
205.06621	1.9
205.08644	3.2
205.12277	4.0
207.08069	1.6
209.06004	1.5
209.09589	4.2
210.06779	2.0
211.07564	7.1
211.11299	1.1
212.08305	8.6
213.09116	3.8
214.09918	1.1
215.08755	2.0
215.10658	3.4
217.08618	13.3
217.12234	4.5
218.07283	1.5
219.08099	2.4
219.10092	1.3
219.13797	9.6
221.09627	1.4
222.06804	5.1
222.10390	1.5
223.07518	2.0
223.11156	3.0
224.08318	8.0
225.05490	9.5
225.09120	4.4
226.09830	1.2
227.07054	1.6
227.10719	4.6
229.08644	1.7
229.12206	1.4
231.08034	4.5
231.10156	2.0
231.13992	1.3
232.08817	4.2
233.09691	3.3
234.06712	7.7
235.07500	5.0
237.09198	10.5
237.12764	2.1
238.09706	1.6
239.06998	7.0
239.10651	1.6
240.07816	29.0
240.11572	1.5
241.08464	1.4
241.12245	6.2
243.08041	2.3
245.15486	1.2
247.07443	2.5
248.08383	6.7
249.09093	4.9
250.06142	2.3
250.09932	1.6
251.10608	2.2
252.07712	1.2
252.11572	1.6
253.04996	4.0
253.08472	1.8
253.12439	2.3
254.09354	3.9
255.06245	1.9
255.07420	2.0
255.10188	33.7
255.13799	13.4
257.11646	1.7
259.07410	2.5
259.09805	2.2
260.08276	6.0
261.09076	5.0
261.54932	1.2
262.06250	5.9
262.09982	1.9
263.07074	8.7
263.10571	2.9
264.07782	2.9
265.08612	8.8
265.12238	4.0
265.15576	1.4
267.13821	2.6
268.07343	12.0
269.15607	2.6
270.08835	3.4
271.07349	2.6
271.09888	2.5
271.16910	1.8
273.18466	2.3
275.07889	1.4
275.10529	7.8
276.07852	5.1
277.08585	29.0
278.09326	2.3
279.10297	2.9
279.17474	2.6
282.08966	3.7
283.09662	100.0
284.10226	2.4
285.11191	7.0
285.14847	4.9
287.07074	1.3
288.07822	4.6
289.08539	3.3
290.09369	2.6
291.10153	17.6
292.07245	2.6
292.10825	3.5
293.08075	5.9
293.11691	6.2
295.09714	15.4
297.14761	3.4
297.18469	3.7
298.12039	1.6
300.09729	1.9
303.10245	9.8
305.08316	2.7
305.11566	2.7
307.09698	15.4
307.13187	2.1
308.10318	3.6
309.11188	9.2
311.20023	5.1
313.18259	1.9
315.15894	15.7
320.10345	3.4
321.11230	13.7
322.11978	11.8
323.12775	7.5
323.20099	5.4
325.10815	1.5
335.12799	18.5
339.12146	2.4
341.14017	2.7
341.21042	3.3
353.13873	42.0
353.20731	8.7
371.14960	29.8
371.22052	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	371.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96172	4.0
60.10399	4.0
62.86392	3.7
66.53687	4.7
69.63351	11.0
69.63767	12.9
86.05446	3.8
104.69736	4.1
135.04431	100.0
149.05951	6.3
151.03911	4.1
151.07564	35.2
157.06482	7.7
158.07314	6.1
158.88179	4.7
173.05997	13.7
174.06760	4.8
178.78180	4.0
188.08337	12.4
189.09079	10.5
201.09100	52.5
203.10722	9.1
213.09033	4.8
231.10228	22.3
233.09579	9.8
235.07571	7.5
239.07129	7.4
246.10426	9.5
247.07449	8.3
252.07835	5.3
261.09277	7.5
262.09921	4.8
268.07288	8.4
273.09106	8.3
277.08713	4.2
282.08859	22.4
283.09683	14.7
289.08514	9.1
290.09378	4.2
293.08145	4.7
293.11456	5.9
295.09692	6.9
303.10324	6.9
304.10904	13.6
305.11752	13.5
308.10413	8.3
320.10498	8.9
323.12762	18.0
335.12891	39.2
353.14001	30.9
355.39777	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	371.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.6
53.03935	1.6
59.09003	1.4
69.07058	1.4
71.04989	2.0
71.07864	1.9
77.03951	1.5
77.56680	1.5
79.05489	5.9
79.70181	1.3
91.05486	2.6
105.03384	2.2
107.04952	3.2
111.04452	1.8
128.06175	2.2
129.07008	3.1
129.23972	1.5
131.04951	2.7
135.04422	100.0
136.05165	2.6
145.06485	2.7
147.04451	2.8
149.02356	2.8
149.06012	4.9
149.23068	1.5
151.03912	1.6
151.07538	29.6
157.06476	8.5
158.07260	5.0
159.07925	2.1
161.06017	2.7
165.05533	1.8
165.09190	1.5
172.08858	6.2
173.05971	11.9
174.06787	2.4
175.03975	3.2
175.07614	2.4
179.07098	2.7
185.06001	4.5
187.07571	5.4
188.08348	16.2
189.09126	9.4
190.10100	1.9
201.09119	50.8
202.09592	1.9
203.10628	15.3
207.08040	2.5
209.06065	2.6
213.09137	1.9
216.50519	1.6
219.08028	5.3
225.05450	2.4
225.09021	2.1
231.08063	4.2
231.10196	21.0
233.09630	5.7
234.10431	1.8
235.07516	3.9
237.05476	2.2
237.16692	1.6
239.07077	7.4
245.09644	2.5
246.10423	4.4
247.07552	5.3
249.09108	2.5
251.06961	2.8
252.07738	9.6
253.08557	3.3
259.07611	3.9
260.08243	2.1
261.09088	11.2
262.09927	4.9
263.07037	3.7
265.08600	2.8
265.12308	4.2
267.06570	4.4
268.07275	7.0
273.09183	4.2
274.09863	4.0
275.06970	1.8
277.08795	4.6
277.12271	7.9
278.09448	2.3
282.08911	20.9
283.09644	23.1
289.08597	9.7
290.09308	4.3
291.10043	4.0
292.10983	5.8
293.11685	3.7
295.09738	8.6
303.10098	10.1
304.10895	14.2
305.08270	2.6
305.11713	15.3
308.10364	10.5
309.11230	2.5
320.10388	6.9
323.12750	24.3
325.14404	3.2
335.12808	41.3
353.13834	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	371.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
55.01865	8.0
56.96572	21.6
57.03432	13.2
59.14259	2.7
60.04514	6.8
61.02917	12.5
69.03434	40.7
70.02225	13.2
70.06607	20.3
71.04994	5.3
73.02923	20.3
73.04755	10.4
81.03414	10.4
81.07063	3.4
84.04453	3.7
84.08163	16.5
84.96024	3.8
85.02914	100.0
86.03235	4.5
86.09692	3.8
87.04470	8.3
88.87711	3.2
91.03968	5.3
91.05798	16.0
97.02901	35.4
97.57470	3.4
98.97588	79.0
99.04461	5.7
99.97897	3.0
106.05043	5.0
106.96560	3.0
109.02901	7.1
110.01288	3.7
110.97543	20.4
112.07629	7.4
112.08661	2.8
115.03946	4.3
116.07088	5.3
116.98606	28.0
119.01900	8.8
119.04932	11.6
127.03937	33.6
128.98613	13.8
129.05453	4.5
130.08661	8.0
131.01878	3.0
131.04900	5.8
134.99677	7.1
135.04436	21.7
136.06218	15.2
137.05997	24.9
138.06404	2.8
140.02293	4.7
143.00186	12.9
143.01857	5.9
145.04977	16.5
146.02252	5.8
146.99619	8.7
147.04424	20.7
149.01239	3.9
151.03929	7.5
151.07533	9.2
155.02855	5.5
156.03369	4.5
158.99658	34.2
161.01241	5.5
161.02904	11.0
163.03882	17.0
167.07100	5.0
170.03461	4.6
170.99641	16.8
173.02972	4.5
174.04341	3.2
177.00764	25.8
179.07056	3.0
181.08540	6.4
182.03366	5.0
182.99634	5.7
185.02924	5.4
185.04578	3.9
186.04413	10.9
189.00754	11.4
191.02275	3.5
191.03912	32.3
191.05663	4.8
191.53934	3.5
194.46927	2.9
200.02594	4.6
200.04425	60.7
200.06183	5.9
201.00703	11.9
201.09143	9.3
203.03955	3.7
204.05409	3.8
207.01733	4.9
208.04958	7.7
209.04866	6.7
219.01762	27.2
227.00877	9.2
231.10219	5.1
237.02812	23.2
237.06030	4.4
244.04353	7.7
245.02051	5.0
245.05049	11.0
247.04776	3.5
255.03784	6.0
261.02768	8.1
261.08963	3.3
266.08038	9.1
268.97769	5.1
269.01984	12.3
272.06155	6.0
272.08545	5.1
273.02789	6.4
279.03821	14.6
281.07150	39.9
285.00861	9.2
290.08362	9.5
291.03891	7.1
304.10742	3.3
321.04855	4.9
323.13141	3.6
335.12927	4.8
348.06979	5.9
353.13837	4.5
355.07156	10.0
371.06903	3.3
371.24075	4.0
381.10660	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54059	0.7
51.66368	0.7
52.53115	0.6
53.03950	2.2
55.01873	1.6
55.05517	1.4
57.03423	1.1
58.06596	2.0
61.77728	0.6
65.03933	1.8
67.05496	2.0
69.03439	2.3
69.07063	1.5
69.24601	0.7
70.06591	1.6
71.04977	1.5
71.52613	0.7
76.59093	0.7
78.04702	1.0
79.05510	6.1
81.03410	1.5
81.07052	3.5
83.08611	0.7
85.02888	3.8
85.06548	2.2
86.09663	0.7
89.03911	2.4
89.06046	1.4
90.04703	2.6
91.05490	11.7
93.07034	4.8
94.04243	0.8
95.04996	2.0
95.08598	2.7
97.02878	1.8
97.06541	0.9
98.83855	0.8
98.97636	1.5
99.04472	1.3
103.05484	13.0
104.06281	5.8
105.03420	1.8
105.07050	8.6
106.04182	2.4
107.04970	7.8
107.08597	3.9
109.02896	0.9
109.06515	3.1
109.10132	1.1
111.08022	0.7
115.05402	1.6
117.03389	3.0
117.07027	1.6
118.04181	3.0
119.04973	4.6
119.08598	3.8
121.02808	1.0
121.06546	5.3
121.10143	3.3
122.03692	1.7
123.04436	3.2
123.11768	1.1
124.05220	1.0
125.05984	1.1
127.03944	1.1
129.07002	2.0
130.04138	1.1
131.04941	36.0
131.08578	7.4
132.05725	35.1
133.02863	8.3
133.06540	5.5
133.10150	24.6
134.03642	1.5
135.04431	2.7
135.08086	1.7
135.11786	1.2
136.05193	1.3
137.05998	12.4
137.09647	1.0
139.07549	0.9
143.04890	0.7
143.08583	1.2
144.05661	0.7
145.02824	1.1
145.06511	1.4
145.10138	2.8
146.03586	1.4
147.04352	4.5
147.06432	0.7
147.11758	2.0
148.05186	3.1
149.02361	1.0
149.05984	8.2
149.09628	2.2
149.13335	0.8
150.06763	1.0
151.03899	2.4
151.07545	4.7
153.05498	1.6
154.06271	2.3
155.07077	1.0
156.05698	1.7
157.06488	1.5
158.10905	1.4
159.04430	10.3
159.08098	2.0
160.05222	18.6
161.02348	2.7
161.06001	8.2
162.06802	1.3
163.03914	4.6
163.07567	3.4
163.11230	1.4
163.14938	1.8
164.04810	1.6
165.05495	16.4
167.07054	34.7
167.10756	1.1
171.04370	1.1
173.02377	2.7
173.13275	12.6
175.03899	1.3
175.07573	1.4
176.04689	2.5
177.05495	24.1
177.07048	1.4
178.06294	1.4
178.07764	1.0
179.07079	14.1
179.08582	1.5
180.07831	40.4
181.05034	3.8
181.08568	3.7
182.09422	4.7
187.03932	29.4
187.07553	2.4
189.02107	1.1
189.07094	1.1
189.08934	1.0
191.03397	1.0
191.07045	20.6
191.08527	0.9
191.14304	10.5
192.07832	100.0
193.08617	3.8
194.07317	0.9
195.06482	1.1
199.03929	2.9
201.09120	1.0
205.06500	1.9
206.07237	0.9
207.06528	4.6
207.08148	1.6
208.07289	1.6
209.08145	6.1
209.15353	1.0
210.08879	8.2
217.04947	3.4
217.08562	4.6
218.07266	1.7
219.08104	2.1
219.10155	1.4
221.06023	1.6
229.06412	0.7
231.08203	1.0
233.05977	1.5
234.06818	1.7
235.07574	2.0
236.04759	0.8
239.07062	1.7
241.08604	1.0
246.06670	0.9
247.07549	1.2
247.09764	1.4
249.05484	0.9
249.09166	1.4
250.06250	1.6
251.06860	1.2
261.05597	1.0
261.08981	1.7
263.07050	2.9
265.08527	1.3
269.08090	0.8
275.06970	1.8
277.08582	1.8
278.05682	1.3
279.06665	1.6
279.09943	0.9
281.08066	1.6
285.07605	2.4
289.08591	1.0
291.06476	2.0
293.08130	3.0
293.11475	1.0
294.08707	0.9
299.19879	0.9
300.09955	2.9
301.10956	1.2
305.33731	0.8
306.09042	0.8
307.06204	1.3
307.09552	1.6
309.07782	1.5
309.11139	1.5
311.09192	1.4
311.86343	0.8
312.12439	1.8
313.10828	1.7
321.07651	9.0
321.11072	1.5
323.09155	2.2
325.10739	1.3
326.11340	2.4
335.09302	1.5
341.10220	15.2
341.13831	1.1
353.10220	6.6
353.13934	3.8
371.11215	4.7
371.15726	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.4
55.01877	1.6
55.05503	1.0
58.06590	3.0
62.08181	0.9
65.03946	1.1
67.05505	3.6
68.99749	0.8
69.03432	1.8
70.06585	0.9
71.53239	1.2
74.09727	1.7
78.04724	1.4
79.05505	4.0
81.03422	1.6
81.07070	4.1
84.08144	0.9
85.02914	3.6
85.06538	1.6
89.03910	2.3
90.04733	2.1
91.05486	9.8
93.07072	4.3
95.04964	2.0
95.08608	2.8
97.02886	1.7
102.04708	1.0
103.05481	8.9
104.06261	6.7
105.03407	1.8
105.07032	4.2
106.04175	2.4
107.04980	5.3
107.08630	2.1
109.06515	8.5
109.10171	3.6
111.04440	1.7
115.05470	2.4
117.03413	2.9
117.07013	1.8
118.04161	1.8
119.04951	5.4
119.08627	1.1
121.02847	1.0
121.06489	5.3
121.10161	3.3
123.04425	3.6
128.16255	0.8
129.07045	1.0
130.04121	1.3
131.04941	43.8
131.08568	2.7
132.05724	36.1
133.02869	6.1
133.06502	4.0
133.10123	2.4
135.04430	3.3
136.05206	1.7
137.05995	7.3
137.09598	2.5
145.02846	1.6
145.06447	1.0
145.10057	1.0
146.03642	1.9
147.04401	3.1
147.11618	1.2
148.05209	2.4
149.05986	10.2
151.03917	3.0
151.07542	2.4
153.05499	2.3
153.09171	1.2
154.06284	1.2
159.04446	10.9
159.08116	1.1
160.05208	17.1
161.02310	1.5
161.06015	5.7
163.03905	4.3
163.07538	3.1
164.04677	0.9
165.05499	12.6
165.09128	1.6
167.07063	28.3
171.04445	1.0
173.02390	2.3
173.13321	1.8
175.07567	2.4
176.04738	2.6
177.05487	24.2
178.06113	1.0
179.07059	11.2
180.07831	30.6
181.04984	3.3
181.08617	2.3
182.09407	4.1
186.09151	1.9
187.03920	28.4
187.07573	1.6
191.07057	23.5
191.08797	1.3
191.14304	2.8
192.07832	100.0
193.08543	3.3
199.03944	2.6
203.05304	2.9
205.06589	1.1
207.06462	5.4
207.08215	1.0
208.07367	1.9
209.08235	4.0
209.11519	2.3
209.15466	2.0
210.08867	6.8
217.05029	3.2
233.05983	1.5
235.07571	1.5
247.07652	1.7
249.05536	1.4
249.09352	0.9
262.06241	1.0
263.07031	2.7
264.07642	1.1
265.08594	2.1
275.07022	1.0
278.06018	1.3
279.06519	1.0
293.08246	2.1
300.09995	1.1
307.09702	1.0
309.07755	2.0
309.11246	1.4
321.07645	8.7
321.10931	1.7
323.09009	1.2
325.10831	1.7
326.13846	2.2
341.10220	13.9
341.13956	1.9
353.10254	7.7
353.14005	1.9
371.11542	2.9
371.16803	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	371.1129
Annotation	(7'S)-Parabenzlactone
Peak:m/z	Relative Intensity
55.01874	6.7
55.05516	4.0
57.03445	3.6
65.03932	6.2
67.05527	16.5
68.99798	4.5
69.03422	8.8
69.07065	6.5
71.04946	3.2
79.05478	10.1
81.03416	6.0
81.07062	18.0
84.37363	2.9
85.02902	5.2
91.05465	11.0
93.03402	3.7
95.04961	5.5
95.47305	3.0
97.06548	6.1
98.20692	4.7
103.05452	3.3
105.07025	7.2
107.04945	9.9
107.08616	7.4
108.01682	3.2
109.06496	6.1
109.10185	4.9
111.04480	7.1
115.05453	9.8
116.85781	3.1
117.07017	6.1
119.04929	3.5
121.02833	8.9
123.04434	6.7
123.11674	3.7
125.67200	2.9
128.06180	5.0
129.05414	4.5
129.07036	18.9
131.04932	16.3
133.02855	5.3
133.10075	5.2
135.04430	80.4
137.02295	3.2
137.05984	22.5
139.03908	14.4
143.04874	5.9
144.05754	3.6
145.06491	9.8
147.04396	10.1
149.02341	18.3
151.03917	100.0
151.11166	4.0
157.06506	19.5
159.08044	6.2
161.05986	10.9
163.03877	7.4
165.05461	7.2
167.07013	21.2
173.06003	41.4
174.06743	5.5
175.03963	8.7
175.07533	9.4
177.05490	6.5
178.37935	3.1
179.08533	5.8
185.05992	58.0
186.06734	9.5
187.07568	38.8
187.13322	7.0
189.05455	13.3
191.06985	6.3
191.08623	7.4
191.14410	7.8
193.05005	3.3
199.07509	4.2
201.05470	10.2
201.09151	6.5
203.07018	10.9
207.08029	3.9
209.15257	3.8
211.07497	4.5
215.07047	14.2
217.08713	15.2
218.07344	4.7
219.08131	19.4
219.09991	3.7
225.05547	7.3
231.06485	4.9
235.07536	14.2
239.20184	15.9
241.08531	4.1
247.07507	19.0
249.09283	6.6
253.04955	5.4
259.07465	5.3
261.09247	5.7
262.06268	8.0
263.07123	9.9
265.08563	6.9
275.07040	9.2
276.38959	3.4
277.08578	27.1
278.05753	7.6
282.05301	35.6
282.08347	6.4
283.06070	3.5
283.09579	4.9
285.07513	5.9
293.08160	18.1
293.11288	5.2
295.06229	5.3
300.09906	6.5
301.10767	3.5
305.08173	31.2
307.09692	4.6
309.07739	4.9
309.11072	6.7
320.06812	4.8
321.11099	5.5
323.09204	26.9
323.12634	6.4
335.09161	38.6
335.12833	3.5
341.10147	6.1
353.10165	50.3
353.13986	11.0
365.16791	3.5
371.11035	9.1
371.15381	16.0
371.20181	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	371.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01873	1.3
55.05509	0.9
57.03439	1.1
58.06607	4.0
65.03949	1.4
67.05514	3.7
69.03417	2.0
70.06573	0.8
71.52916	0.9
71.53284	0.8
73.02919	0.8
73.04752	0.8
74.09708	2.4
76.11025	0.7
77.03932	1.4
78.04726	1.5
79.05492	3.6
81.03412	1.4
81.07054	4.3
81.47063	0.7
85.02907	3.9
85.06525	0.7
86.09731	1.1
89.03915	1.8
90.04718	1.0
91.05479	8.4
93.07047	4.7
95.04961	3.0
95.08607	2.7
97.02893	1.0
102.04637	1.0
103.05479	10.5
104.06253	3.4
105.03388	2.1
105.07035	5.6
106.04183	2.0
107.04961	5.5
107.08593	2.9
109.02887	1.5
109.06533	7.7
109.10184	4.8
115.05466	2.9
117.03378	3.0
117.07017	1.3
118.04164	3.4
119.04960	4.2
119.08571	1.9
121.06526	5.5
121.10140	2.7
123.04410	2.3
123.11803	0.8
124.05235	0.9
125.05989	0.9
127.03893	0.8
128.76117	0.7
129.07039	1.3
131.04938	36.3
131.08540	2.4
132.05722	33.0
133.02878	6.0
133.06487	3.1
133.10115	2.5
134.03558	0.9
135.04391	2.5
135.08014	1.5
135.11681	0.8
137.05992	7.4
137.09604	1.5
139.03894	1.0
145.02826	1.5
145.06454	1.1
145.10149	1.4
146.03639	2.6
147.04391	2.9
147.11752	0.8
148.05222	3.4
149.02364	0.8
149.05997	7.4
149.09633	1.4
151.03929	3.7
151.07521	2.6
153.05464	2.3
153.09160	0.9
154.06285	2.2
155.07022	0.7
159.04431	8.6
160.05209	15.4
161.02275	1.6
161.05980	4.8
162.06795	1.4
163.03873	3.3
163.07495	3.5
163.14857	1.5
164.04756	0.9
165.05508	9.7
165.06946	1.4
165.09135	2.2
167.07059	27.6
167.10646	1.1
173.02354	1.3
173.06039	0.9
173.13248	4.5
175.04002	1.2
175.07553	1.6
176.04622	2.0
177.05493	20.4
177.07071	1.0
178.06148	1.2
179.07037	10.2
179.08553	1.0
180.07822	29.1
181.04970	2.4
181.08627	2.2
182.09445	2.5
186.09201	3.2
187.02242	1.4
187.03928	26.9
187.07555	1.5
189.09067	1.1
191.07037	20.9
191.14323	3.6
192.07826	100.0
193.08508	2.4
199.03847	2.2
203.05344	1.8
205.06520	1.2
207.06535	4.8
208.07236	1.1
209.08118	4.7
209.11549	2.5
209.15347	1.8
210.08864	6.0
217.05000	2.8
218.07266	0.7
219.07962	0.8
219.10019	1.0
221.06020	1.0
231.15039	0.7
233.05978	1.6
234.06596	1.2
235.07587	1.9
237.09056	0.8
249.05484	1.1
249.09280	0.9
250.06177	1.5
263.06909	1.7
265.08603	1.7
277.04855	0.9
291.06509	0.9
293.08163	1.3
294.08911	0.7
307.09540	0.8
309.07806	0.8
309.11118	1.6
320.06915	0.8
321.07669	6.7
323.09070	1.0
325.10562	1.2
326.13858	2.5
335.09067	2.2
341.06329	1.2
341.10236	14.5
341.13879	0.7
342.11163	0.8
353.10132	5.5
353.13913	1.1
371.11325	2.5
371.16733	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	371.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	7.8
55.02448	7.4
67.05520	8.0
69.19538	16.5
69.19939	61.1
80.66956	7.7
88.58405	6.7
121.83419	8.4
131.04930	12.8
135.03337	10.8
135.04433	77.3
145.06578	7.5
151.03903	34.7
151.07489	13.4
173.06038	13.8
189.05542	13.2
201.05518	13.8
201.09140	13.4
219.08131	11.9
225.05531	32.3
241.21748	8.2
247.07620	13.2
254.05850	9.2
262.32556	7.6
277.08594	11.5
282.05276	100.0
283.06058	20.3
295.06000	14.0
305.08060	25.9
335.09229	59.0
335.12738	12.2
338.01355	7.8
353.10251	18.2
356.62015	7.7
370.40417	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	371.1126
Annotation	Meridinol
Peak:m/z	Relative Intensity
50.01590	0.2
51.02389	0.5
52.69653	0.1
53.00311	0.1
53.03955	0.6
55.01871	0.4
65.03942	0.4
67.05504	0.3
67.17985	0.1
68.99790	0.5
70.93813	0.1
71.06618	0.2
77.03921	0.8
79.05067	0.2
79.05502	3.1
81.03405	0.4
81.07049	0.2
85.02924	0.2
91.05451	0.3
93.03404	0.3
93.07065	0.2
95.04967	1.1
95.08652	0.1
96.02105	0.3
97.06553	0.2
103.05475	0.5
105.03394	1.2
105.04515	0.4
105.07037	0.4
107.04980	0.4
107.08622	0.1
109.02859	0.3
111.04459	1.6
115.05460	0.7
117.07027	0.5
119.04945	0.4
119.08649	0.2
121.02837	0.2
121.06487	0.1
123.04424	0.8
125.05990	0.5
126.03125	0.2
128.06250	0.3
129.07033	1.1
131.04938	1.0
131.08549	0.2
133.02838	0.3
133.06509	1.0
135.04430	100.0
136.04744	0.7
137.05988	0.7
138.03073	0.2
139.03944	0.6
143.04938	0.6
144.05736	0.2
145.06494	0.7
147.04433	0.7
149.02356	4.4
149.05981	0.3
151.03923	2.5
151.07570	0.7
152.01053	1.5
153.05484	5.9
157.06480	1.2
159.04437	4.0
161.06006	1.0
163.03972	0.3
163.07607	0.1
165.05495	1.4
165.06766	0.2
165.09148	0.2
167.03419	20.3
167.07040	0.8
168.03711	0.1
171.04480	0.1
172.08861	0.3
173.05980	1.2
174.06850	0.1
175.07585	0.4
176.04788	0.1
177.05476	0.8
179.03400	0.4
180.04216	0.1
185.05937	0.2
186.06854	0.2
187.03931	0.2
187.07590	1.0
188.08369	0.6
189.05463	0.4
189.09241	0.2
191.07074	1.0
191.10718	0.1
193.05049	0.6
193.08614	0.2
201.05464	1.2
201.09090	0.8
202.06277	0.2
203.07146	0.8
203.08986	0.2
203.10657	1.3
205.06667	0.2
206.05789	0.1
207.08089	0.2
215.10661	0.2
217.08620	0.3
219.06462	0.4
219.10089	0.6
221.06126	0.2
221.08083	2.1
231.10141	0.2
233.05975	0.2
235.07645	0.1
247.07526	0.2
251.07069	0.2
252.07791	0.1
261.09219	0.3
263.07080	0.2
265.08621	0.2
277.08606	0.2
277.11905	0.1
279.06613	0.3
283.09668	0.5
285.07639	0.3
290.09418	0.1
291.06689	0.2
291.09775	0.2
293.08206	0.2
295.09766	0.3
300.09897	0.3
308.10315	0.1
309.07758	0.2
309.11264	0.2
311.08963	0.3
313.10547	0.2
321.11255	0.2
323.09293	0.2
323.12750	0.3
335.12729	0.5
341.10236	8.9
341.13718	0.4
342.10748	0.1
353.10062	0.4
353.13913	1.0
371.11282	41.5
372.11664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31548	1.1
67.05505	1.4
69.03469	1.8
69.80127	6.6
70.06602	19.2
71.58150	1.1
72.08168	4.7
73.04761	3.3
79.05492	3.5
81.03431	1.8
81.07077	1.4
83.05012	2.1
84.04514	2.3
84.08154	4.8
85.02924	3.9
86.09728	3.3
89.03934	3.9
91.05867	5.8
95.01377	1.4
95.04977	1.6
98.97703	1.3
101.06033	1.7
105.07073	1.3
107.04994	4.1
109.06576	1.3
111.04467	2.1
115.05466	1.3
117.03371	6.1
119.04945	1.9
121.02921	1.8
121.06572	1.3
121.10168	1.4
122.09698	1.4
123.04503	2.7
124.11224	2.2
127.03950	1.6
129.05482	2.1
129.10295	2.2
130.05029	6.7
131.04961	2.4
133.06459	1.0
133.37700	1.1
135.04442	22.4
136.07571	1.5
137.02362	21.0
137.03415	1.8
138.03114	1.8
139.03917	3.5
139.62602	1.1
145.02866	10.0
147.04430	5.8
149.02382	3.1
151.03949	1.4
151.07567	2.8
153.05489	85.8
161.06038	1.5
162.05521	1.4
163.03926	100.0
164.04404	1.2
165.05562	1.2
169.13463	3.4
175.03979	2.9
177.01865	2.7
177.04004	2.1
177.05489	2.8
179.03346	2.5
181.04999	3.8
187.03925	3.7
189.05473	3.1
195.06567	21.9
197.04488	3.7
197.12862	2.6
201.09129	3.3
203.03424	35.6
205.05009	4.1
209.04521	2.4
209.06456	1.3
215.03432	7.1
217.04921	1.9
221.04291	1.4
224.16435	1.6
227.45374	1.3
231.02936	5.5
233.04553	3.5
236.12872	1.6
257.04471	2.2
261.03976	3.7
268.97717	1.4
275.05600	2.1
279.04999	12.5
283.09622	1.5
285.01022	4.6
291.04974	5.2
303.05182	1.6
312.12076	1.7
321.06036	2.2
323.12729	2.9
329.05588	1.2
335.12894	3.5
339.07129	15.5
339.19315	4.3
353.13812	3.6
353.20636	3.0
355.07101	3.4
371.16827	7.4
371.21979	9.5
372.14417	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	370.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
54.66695	1.6
55.01867	2.8
57.03435	4.5
59.04713	3.5
59.05009	66.9
61.02922	7.9
69.03432	26.7
70.06319	1.6
70.06601	16.1
71.04989	3.1
71.51492	2.5
72.08154	4.9
73.02920	2.3
81.03423	21.4
81.07072	2.0
83.05007	2.4
84.04495	2.0
84.08128	8.8
85.02916	65.2
86.09717	3.8
87.04478	92.7
91.03960	3.5
91.05463	4.2
97.02901	76.8
98.97562	2.8
99.04474	9.7
105.05517	100.0
107.04939	3.7
108.04478	6.4
109.02895	23.2
110.07185	3.6
115.03924	3.1
115.11929	2.0
117.03372	3.7
121.06500	3.0
127.03930	55.1
128.07140	4.1
129.10234	3.6
130.06520	4.5
130.08632	7.5
134.65845	1.9
135.04437	3.6
138.06268	2.0
139.03963	2.1
143.03441	3.4
144.68195	1.8
145.02866	4.1
145.04977	53.4
146.03177	6.2
147.04399	8.5
150.05440	2.3
162.05511	7.7
163.03911	7.8
163.06007	6.3
164.35477	2.0
166.04968	3.3
176.07071	2.9
177.05484	9.9
178.05867	12.3
178.08505	2.4
183.83467	1.9
208.06097	9.9
208.09734	4.4
208.46896	2.3
211.00568	2.0
213.07559	6.0
219.01685	2.2
220.71190	3.0
231.08635	29.9
249.09718	42.7
277.11859	2.0
299.23395	2.2
370.13425	7.3
370.22977	2.3
380.90585	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96301	1.5
56.96567	23.4
57.03426	1.2
58.06604	25.0
59.06942	7.3
62.39694	1.0
69.03419	1.3
70.06590	2.5
70.67789	1.2
70.68128	1.6
71.95261	1.7
79.19547	0.8
84.08156	9.3
84.96039	8.9
85.02914	3.5
97.02895	2.1
97.99180	0.9
98.21076	1.2
98.97594	100.0
101.00870	0.9
110.97582	49.0
112.99139	5.0
116.07172	0.9
116.98639	22.4
123.33222	0.9
124.99140	3.0
127.03932	1.2
128.98619	33.3
130.08672	2.5
131.00165	3.0
134.99675	2.7
136.06178	2.5
140.98598	4.0
143.00172	9.7
144.98100	2.0
146.99644	7.5
150.05496	1.7
152.98599	10.8
158.99670	7.6
160.07599	2.4
161.01247	4.3
161.07950	3.7
162.05574	1.2
162.08238	2.5
164.10773	1.2
170.99655	13.8
177.00719	3.2
179.00165	0.9
179.02298	1.0
182.07994	0.8
182.99713	1.0
189.00719	4.7
194.99614	2.1
201.00696	8.8
209.01219	1.6
213.00810	1.1
219.01782	80.9
224.12857	2.7
227.02234	2.6
234.81602	0.9
237.02838	89.5
239.02196	1.9
242.03496	1.7
242.13873	1.6
255.03873	3.1
257.03305	1.0
260.04456	1.2
263.02377	3.5
269.14688	2.1
281.03445	2.3
305.12555	1.0
311.04404	4.2
311.16928	1.5
326.13806	1.1
329.05453	38.4
329.09372	1.8
347.06482	13.7
370.19699	2.0
371.06531	70.8
371.21457	6.4
389.07446	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	370.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.6
53.04690	2.7
56.05021	3.0
57.03427	7.0
57.96522	3.1
58.06591	10.4
59.05008	65.1
61.02921	10.2
67.05502	6.0
69.03436	37.3
70.06586	12.2
71.05006	30.7
71.51674	3.2
72.08139	4.9
73.02915	5.9
78.03432	3.3
79.05488	6.1
79.53327	2.7
81.03433	23.3
81.07042	3.5
84.04483	4.0
84.08152	8.7
85.02914	88.6
87.00813	7.2
87.04478	87.2
91.03958	4.6
91.05489	5.5
93.07034	3.9
95.04950	4.1
97.02908	67.7
98.97596	4.4
99.04459	11.3
103.97164	2.8
105.01859	10.0
105.05518	86.8
106.02904	7.5
107.04967	8.9
108.28450	2.9
109.02348	2.8
109.02906	29.0
110.07166	7.8
111.04404	3.7
113.06044	26.7
115.03931	14.8
117.03392	4.3
118.03690	3.3
119.04969	4.1
124.03980	3.9
127.03930	69.5
128.07111	7.9
129.10301	3.4
131.07057	25.9
133.04930	4.2
145.02870	6.6
145.04987	62.3
145.08615	100.0
146.03174	7.3
147.04448	14.4
151.03998	3.3
153.05542	5.1
160.07555	3.2
161.06071	5.5
163.03937	6.7
163.05956	4.9
163.07399	3.6
167.04933	3.4
167.06996	10.3
170.12819	2.7
173.08122	17.1
177.05501	10.2
178.05919	15.1
179.03433	5.3
191.07010	8.8
191.09132	24.4
207.06361	5.0
209.08194	5.3
213.07629	6.1
217.05070	6.4
231.04903	3.8
231.08670	34.2
249.09753	35.5
277.09195	3.8
317.12317	5.5
370.15256	19.7
371.16882	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1652
Annotation	Cryptopine
Peak:m/z	Relative Intensity
55.05494	0.3
62.11577	0.2
65.98734	0.2
79.02797	0.2
91.05473	1.3
93.07028	0.4
103.05431	0.6
105.07037	0.4
107.04948	0.4
115.32356	0.3
119.04909	1.5
121.06511	0.4
122.07299	0.4
122.28313	0.3
123.08076	0.4
131.04913	0.9
131.07416	0.3
132.08060	0.3
135.04430	1.9
136.05194	1.1
137.05945	1.0
138.06741	1.4
147.04466	0.5
148.05200	0.7
148.07524	0.4
149.06004	7.0
150.06847	1.5
151.07556	4.0
153.05443	0.3
153.09131	2.6
159.04401	0.9
159.06793	1.3
160.05272	0.3
160.07610	0.8
161.06013	0.5
162.06752	0.6
163.04013	0.4
163.07597	1.4
165.05492	0.4
165.09135	5.8
166.06258	4.3
173.06046	0.5
174.05531	0.4
175.07550	0.3
176.07083	1.1
177.07814	0.5
178.08633	0.9
179.07024	0.9
181.08623	5.9
187.03920	0.4
188.07086	43.3
189.07857	17.9
190.08652	3.7
191.07056	1.9
191.08527	0.4
192.07820	0.5
192.10217	0.8
192.22818	0.3
193.08612	0.3
204.10216	0.7
206.08147	11.0
207.08101	0.4
209.09550	0.5
210.10382	1.0
211.07536	0.3
219.07990	0.5
223.07529	0.4
226.09831	0.8
232.08871	1.0
233.06058	0.3
235.07622	0.5
238.09853	0.8
239.07195	0.3
241.12183	0.7
246.06752	0.6
247.07542	0.8
248.08292	0.7
249.09120	0.6
250.09927	1.3
251.07114	0.5
251.10669	0.6
252.07846	1.5
253.12141	0.7
259.07620	0.9
260.08383	1.5
263.07040	0.8
263.10696	0.5
265.08722	0.4
266.09314	0.6
269.11652	0.7
274.05997	0.3
275.07050	4.6
276.07788	0.5
277.08575	0.8
278.09378	1.7
279.10172	0.5
280.10931	0.5
281.11774	1.1
283.09683	0.8
289.08737	0.5
290.06137	0.7
290.09378	10.9
290.12497	0.6
291.06824	0.5
291.10092	1.4
292.10837	0.7
294.08978	0.4
294.15021	0.4
296.10245	0.4
306.08597	1.8
306.11853	0.4
307.09351	0.4
308.10370	0.7
309.11261	1.2
311.12790	0.7
316.34985	0.3
320.09296	0.5
320.12885	1.6
321.10883	2.0
322.10840	0.8
322.14548	1.0
334.10614	0.5
336.12405	4.0
337.13242	1.6
339.12302	1.1
350.13882	0.6
352.15479	8.0
369.72052	0.8
370.16534	100.0
371.16873	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	370.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01880	1.0
57.03438	1.6
59.05003	4.8
61.02916	3.0
67.93726	0.7
69.03436	7.8
70.06216	0.7
70.06598	14.0
71.04990	1.8
71.48469	0.9
72.08164	1.1
73.02927	0.8
81.03432	5.3
84.08134	3.3
85.02912	23.1
86.09705	1.6
87.04488	8.3
91.05461	0.7
93.07050	0.8
97.02903	12.1
99.00821	5.8
99.04449	1.8
105.05519	6.8
109.02902	4.0
110.06059	16.7
110.07178	0.9
111.04427	1.1
117.03399	1.4
118.03693	1.3
119.04917	0.9
120.03634	1.3
120.04477	19.5
121.06487	0.8
127.03926	9.0
128.07080	1.5
129.05414	0.8
130.08649	12.1
134.06012	2.9
135.04477	1.2
137.06004	0.9
138.05501	2.9
145.02841	3.3
145.04970	7.8
146.03194	2.6
147.04414	1.9
148.03928	0.8
149.06010	1.3
151.03915	1.0
151.07518	1.0
152.07043	2.0
162.05518	87.3
163.03859	1.4
163.05885	1.1
166.05011	26.3
177.05450	3.9
178.05878	4.8
179.03499	1.3
180.06561	5.9
190.05026	12.8
208.06071	100.0
209.06305	0.8
222.08116	0.9
231.08699	2.7
249.09708	2.8
342.54510	1.0
352.16534	0.8
370.22382	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	369.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	8.4
57.07076	3.7
67.05502	14.4
67.36834	1.6
69.07071	13.7
70.02957	15.8
70.64513	2.7
70.64845	2.8
74.02442	16.1
74.09714	7.0
79.05479	8.7
81.07066	18.0
83.08626	9.6
87.05602	47.2
88.03999	100.0
91.05491	3.4
93.07053	7.4
95.08620	17.2
97.10178	5.5
99.00843	2.0
99.80701	1.5
101.53419	1.4
107.04942	1.7
107.08566	5.4
109.10149	6.9
116.03448	7.5
119.08613	2.5
121.10126	9.4
123.11671	3.4
127.03866	1.6
128.71973	1.7
133.06099	77.3
133.10074	2.3
135.04430	43.7
135.11674	4.6
149.02380	3.4
151.07500	10.0
165.05475	4.9
201.09131	3.2
237.21942	2.0
277.25259	4.4
281.08157	3.9
293.11884	2.0
298.08395	1.8
306.24155	2.0
324.25275	12.4
331.22186	1.9
339.12317	4.5
351.28473	4.8
352.24777	19.3
369.13370	18.9
369.22412	3.8
369.27396	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43388	1.1
50.52238	1.2
52.90097	1.3
53.03941	2.0
55.05516	13.6
57.07086	4.2
60.08161	4.8
65.03943	2.0
65.27692	1.1
67.05511	19.1
69.07076	29.4
70.72427	3.7
71.08614	1.4
76.16181	1.2
78.29746	1.2
79.05501	14.8
81.07066	53.2
83.08613	10.2
85.06574	2.4
85.92485	1.2
91.05491	15.7
93.07047	40.4
95.04992	1.9
95.08616	71.1
97.06557	3.6
97.10182	4.0
105.07045	31.4
107.08607	43.4
108.92512	1.3
109.06535	1.5
109.10167	42.3
111.08075	3.4
111.11742	3.5
117.07044	3.7
119.08596	38.3
119.09466	2.1
121.10155	56.7
123.08090	2.1
123.11715	21.5
129.06935	1.5
131.08582	7.6
133.10147	29.0
135.04430	4.2
135.11699	32.2
137.09669	2.4
137.13283	10.4
143.08513	1.8
145.10150	15.6
146.11006	1.4
147.11707	25.1
149.13261	19.5
151.14839	2.2
157.10201	4.2
159.11714	21.8
161.13269	19.1
163.14827	12.1
165.12793	1.2
171.11691	2.9
172.12434	1.4
173.13254	10.5
175.14857	22.0
177.16412	8.0
185.13351	3.4
187.14857	12.2
189.16402	15.2
191.17969	24.3
197.20166	2.9
198.18530	6.8
199.14784	3.3
201.16386	7.5
203.17972	7.6
204.28215	1.4
205.19635	1.3
213.16454	5.4
215.17990	8.2
217.19521	9.0
227.18027	4.8
229.19531	7.3
231.21121	11.2
241.19548	4.6
255.21159	3.6
257.22729	3.7
259.24350	4.1
269.22736	1.9
273.22202	1.7
276.58246	1.6
281.22714	1.8
287.23541	2.0
299.23795	4.1
313.25262	2.4
325.28934	4.1
351.30429	9.1
369.13449	1.6
369.31604	100.0
369.42834	29.2
370.32059	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	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21882	2.6
53.03933	3.6
53.57032	2.4
53.85673	2.7
55.01857	2.7
55.05518	14.7
57.03440	7.6
57.07099	5.8
58.06633	2.7
67.05508	52.7
69.07079	15.8
71.04970	3.0
71.08645	38.7
71.52012	3.4
74.37502	2.6
75.71388	3.0
79.05505	42.4
79.34871	2.2
81.03424	4.9
81.07067	53.8
83.04984	7.0
83.08627	12.6
85.06538	3.4
85.23670	2.9
91.05485	26.3
93.07056	53.8
95.04980	11.7
95.08624	40.9
96.62460	2.6
97.06538	9.5
97.10184	5.2
99.08105	29.8
105.07050	26.0
107.04951	7.0
107.08601	33.7
109.06528	3.2
109.10168	17.7
113.09630	4.7
117.06999	7.3
119.08586	21.3
121.06495	5.7
121.10159	27.6
125.09636	3.0
129.07030	4.1
131.08583	9.4
133.10168	14.5
135.04434	31.6
135.11700	32.8
137.09578	4.2
143.08560	5.5
145.06554	3.2
145.10141	8.0
147.11731	6.3
149.02359	6.0
149.09561	3.3
149.13289	7.6
151.03918	11.0
151.07562	42.4
151.11182	14.8
159.11679	4.8
161.13272	13.1
163.11230	5.2
165.05452	4.2
165.12794	15.9
174.06787	3.2
175.14728	3.1
177.12698	5.4
179.14334	100.0
184.16660	2.5
189.09120	9.8
191.06960	3.3
199.14784	3.3
201.09134	13.6
203.10741	5.2
212.22879	2.9
221.15358	4.7
225.05592	4.2
227.12764	2.9
231.10133	6.5
235.16975	4.1
255.06575	3.3
255.10248	7.9
259.20654	5.0
268.10825	3.8
277.08658	2.7
277.21658	60.6
281.08063	2.9
281.11639	3.3
283.09729	4.2
289.12115	2.6
289.21704	10.1
298.08304	17.3
298.11975	21.3
299.09241	4.2
299.12650	6.5
305.11707	4.4
311.12845	5.1
320.13876	4.0
321.11185	4.3
333.24127	4.6
336.09903	3.2
339.12256	7.9
339.15967	3.4
351.12195	9.0
351.16031	9.2
351.25317	86.0
355.88095	2.6
369.13345	18.7
369.17352	4.4
369.23907	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	369.1337
Annotation	Glycyrrhisoflavanone
Peak:m/z	Relative Intensity
53.00318	1.5
55.01866	3.9
56.68803	1.4
57.07059	1.5
60.08157	3.6
65.03940	1.7
67.05502	4.7
68.99801	2.2
69.36753	8.1
81.03413	1.5
81.07050	2.0
91.05490	3.1
93.03419	3.4
95.04961	2.7
95.08612	1.7
97.61559	1.3
105.03331	1.3
105.07084	2.0
107.04932	1.8
107.08600	1.1
108.05728	1.7
109.02920	2.0
112.29489	1.2
115.05457	1.5
117.07003	1.9
119.08585	2.3
121.02911	3.2
123.04427	3.2
128.06226	1.7
129.07028	2.7
131.08607	2.2
133.02849	3.5
135.04442	19.9
136.05217	1.2
137.02357	5.2
143.08545	2.2
145.06529	3.6
149.02390	7.5
151.03923	85.0
151.07550	15.3
157.06531	11.5
158.07291	8.7
159.04387	1.3
159.08034	5.4
161.06039	1.5
163.04004	1.9
164.08633	1.2
165.01859	10.4
165.05513	1.5
167.03421	1.6
169.10075	1.4
171.08037	3.7
172.08841	4.3
173.06033	3.6
174.06773	2.4
175.03940	3.1
179.08604	1.1
183.08125	1.4
183.11641	1.9
185.05971	1.4
185.09657	1.4
186.06822	2.4
187.07516	6.3
188.08295	7.3
189.05489	3.2
189.09105	7.8
198.18513	4.2
201.09122	100.0
202.07993	2.1
202.09909	32.0
203.10693	13.5
206.07372	1.3
207.08118	1.8
213.05373	1.3
213.09216	2.0
214.09943	2.2
215.10596	1.3
219.08092	2.0
223.07611	2.5
231.08235	2.0
231.10172	11.4
233.09850	1.8
234.06720	2.7
235.07500	7.5
238.09822	1.6
247.07597	5.7
248.08252	1.3
249.09180	9.1
251.07100	2.6
251.10695	1.4
253.12473	1.9
259.07773	1.5
261.09116	3.6
262.09918	4.9
263.07092	7.6
265.08707	1.2
265.12216	2.0
268.07379	1.5
275.07080	3.4
276.07864	1.7
277.08630	13.0
278.09366	8.1
281.08249	1.5
281.11694	2.4
289.08572	3.6
290.06512	1.2
290.09448	6.9
292.07303	1.9
293.08112	3.5
293.11777	7.4
294.08865	3.0
298.08609	5.6
299.08994	2.6
305.08002	5.6
306.08789	4.9
307.09616	6.0
308.10535	1.7
309.07883	2.3
309.11285	4.6
319.09695	2.2
320.10406	4.5
320.13992	1.6
321.07681	2.4
321.11148	15.7
324.09973	6.2
333.07675	2.5
336.09872	3.9
339.12357	16.6
351.08698	2.5
351.12305	35.1
351.16492	2.3
368.42557	17.5
369.09753	2.0
369.13470	18.7
369.24252	9.4
369.42761	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10376	1.5
55.01873	3.1
60.08159	5.4
65.03964	2.7
67.05495	3.8
68.99789	2.6
71.52824	1.7
79.05478	3.0
79.25835	1.5
81.07085	2.1
91.05484	3.9
92.02061	1.7
93.03429	3.0
94.60426	1.6
95.05006	2.5
95.08601	1.9
105.06972	1.8
107.01189	1.6
107.04930	2.5
109.02890	2.3
117.07010	1.7
117.41479	1.4
121.02866	4.1
123.04362	2.0
128.06204	2.3
133.02872	4.2
135.04427	18.6
137.02351	4.8
141.07013	2.9
143.08607	1.9
145.06537	3.4
149.02391	5.1
151.03918	78.4
151.07533	14.9
152.04214	1.9
157.06494	10.1
158.07278	7.5
159.08069	5.4
163.03947	1.8
165.01866	9.8
167.08525	1.5
171.08063	2.7
172.08893	4.8
173.06009	2.9
186.06721	3.3
187.07570	5.2
188.08362	6.5
189.05574	3.2
189.09113	7.0
198.18576	7.9
201.09132	100.0
202.07999	2.5
202.09908	30.6
203.08977	2.3
203.10654	10.8
205.06490	2.4
207.08266	1.9
214.09877	2.4
215.21304	2.0
219.08110	3.3
221.09656	3.9
223.07567	3.5
225.08942	2.0
231.10150	11.8
233.09724	1.9
234.06842	4.2
235.07501	3.4
238.09816	2.2
241.08481	2.0
247.07571	3.2
248.08325	1.7
249.09093	8.0
251.07179	2.4
261.09195	2.9
262.09912	3.3
263.07166	6.1
265.12363	1.9
269.07938	2.2
275.06995	5.7
276.07687	2.2
277.08630	15.3
278.09406	7.1
279.06589	1.9
281.11703	2.2
289.08575	3.0
290.09387	6.4
291.06427	2.7
291.09915	2.5
292.07452	2.0
293.08481	3.6
293.11719	8.8
294.09036	2.3
298.08374	4.6
299.09335	2.3
305.07999	3.6
306.08804	4.8
307.09683	6.4
308.10358	4.2
309.11349	6.9
319.09586	4.6
320.10431	4.6
321.07471	4.4
321.11212	13.9
323.09247	2.5
324.09940	5.0
336.10162	2.5
339.12372	19.5
351.08191	2.6
351.12308	42.6
358.58353	1.7
368.42590	25.9
369.13412	16.0
369.24042	8.1
369.29877	1.6
369.42731	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	369.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89904	0.6
55.01861	0.7
67.05478	0.7
71.04980	1.0
71.24021	1.1
80.92834	0.7
91.05450	1.9
95.04977	0.8
105.07025	0.7
107.04968	1.8
108.05746	1.2
115.05486	0.9
121.06483	1.3
131.04846	0.7
133.02893	0.7
135.04417	3.6
136.05180	2.8
145.06488	5.4
148.05214	0.9
151.03908	22.2
151.07541	32.7
157.06468	2.2
158.07341	1.1
159.04385	0.8
160.05298	0.7
163.03888	1.1
165.05499	2.2
165.07005	0.7
165.09090	1.9
169.06464	3.5
172.08875	1.0
173.06006	4.6
175.03920	1.2
175.07518	0.8
177.09117	0.8
179.07054	2.7
181.06444	1.6
185.06097	1.0
188.08344	1.5
189.05489	6.9
189.09099	3.2
191.03421	1.1
191.07043	1.3
193.08615	1.1
195.08073	0.7
196.08940	0.7
197.05980	10.5
198.06763	1.5
199.07516	1.8
201.05498	9.4
201.09070	4.1
203.07025	1.9
203.10696	1.5
207.08006	1.2
209.05988	1.4
211.07507	4.2
212.04694	1.0
212.08273	0.8
218.07343	1.0
219.08080	2.2
221.09595	0.8
222.06848	0.8
225.05457	8.6
226.06291	1.5
227.07063	4.5
231.06346	3.6
231.10185	1.1
233.09593	1.0
234.10413	0.9
235.07472	3.6
237.05255	0.6
237.09067	0.8
239.07050	1.5
240.07823	1.8
241.04939	2.3
241.08611	15.5
242.09219	1.0
243.10188	0.8
245.09375	0.7
247.07515	3.0
248.08333	1.2
249.09180	3.4
250.09865	1.3
251.07088	1.6
253.04970	2.1
254.05789	3.7
255.06531	22.4
260.08441	0.9
261.09149	2.3
262.09854	2.3
263.06985	3.7
263.10629	1.3
264.07895	0.6
265.05124	0.8
265.08646	2.0
265.12289	2.5
267.06458	4.5
268.07333	7.3
269.04471	2.2
269.08081	3.4
270.08804	2.2
275.07108	1.2
275.10757	0.9
276.07977	1.3
277.08557	5.2
278.09454	4.3
279.06723	1.0
279.10260	1.1
281.08188	1.1
281.11649	0.9
283.06012	10.7
284.06860	3.9
285.07507	2.2
289.08627	2.3
290.09393	4.2
291.06631	1.6
291.10059	1.2
293.08459	1.1
293.11707	5.0
295.06125	2.0
295.09470	0.7
296.06750	1.0
297.07513	3.2
298.08365	100.0
299.09085	14.2
303.10233	1.3
305.08096	7.5
306.08978	1.9
307.09610	1.4
308.10416	1.9
309.11111	0.9
311.09128	15.1
311.12582	1.4
319.09622	6.8
320.10413	12.9
321.07544	3.1
321.11249	8.7
322.08423	1.0
323.09100	0.9
323.12708	0.8
324.09827	2.8
325.10748	1.2
335.09097	1.6
336.10004	4.7
339.12329	5.1
341.14096	0.8
351.12268	32.8
368.42578	3.0
369.13361	17.4
369.42734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1335
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
54.80556	0.9
55.01868	2.1
64.86673	0.9
65.03925	2.5
67.05501	2.2
68.99789	3.0
70.02525	3.9
79.01841	1.2
79.74981	1.0
88.72269	0.9
92.58314	1.1
93.03394	3.6
98.21511	1.4
105.03491	1.0
107.04955	1.6
109.02831	1.8
115.05433	1.3
119.04977	1.1
121.02842	4.4
123.04414	2.4
129.07031	1.8
131.08546	2.2
133.02866	3.4
135.04446	1.9
137.02325	4.9
141.07007	1.2
145.06476	3.4
147.04390	1.9
151.03915	74.6
151.07532	12.5
157.06525	10.1
158.07280	10.2
159.08078	4.4
163.03879	2.4
167.03343	1.7
171.07974	1.7
172.08852	4.2
173.05983	3.7
174.06729	1.3
175.03915	1.9
175.07494	1.3
183.08044	1.1
185.06009	1.2
186.06760	2.4
187.07590	6.8
188.08318	7.3
189.05469	3.5
189.07205	1.5
189.09058	8.3
195.08014	1.2
201.09116	100.0
202.07985	2.2
202.09888	34.5
203.08777	2.1
203.10693	12.9
206.07397	2.1
207.08063	2.9
211.07671	1.2
213.09111	2.7
214.09940	2.4
219.08009	3.6
221.05908	1.2
221.09612	1.5
223.07616	1.3
231.08179	1.6
231.10210	11.8
232.08832	1.1
232.11018	1.1
234.06758	3.0
234.10321	1.7
235.07596	5.3
237.09129	1.3
238.09967	2.3
239.10692	1.1
241.08652	1.7
247.07571	2.8
248.08365	1.3
249.09222	7.7
249.11409	1.5
250.09917	2.1
251.06979	3.5
253.12218	1.9
260.08331	1.1
261.09082	3.5
262.09854	3.8
263.06995	6.2
265.08469	1.4
266.09018	1.2
269.08047	1.7
275.07004	4.2
275.10565	1.2
276.07883	2.4
277.08572	15.7
278.09366	8.0
279.06726	1.5
279.10187	1.2
281.08389	1.0
281.11603	1.7
289.08517	2.7
290.09348	6.4
291.06650	3.1
291.09985	2.0
292.07150	1.6
293.08261	2.3
293.11713	8.2
294.08789	3.5
298.08420	4.2
299.09247	2.1
303.10126	1.5
305.08331	5.4
306.08960	5.0
307.09610	7.5
308.10342	2.7
309.07886	1.9
309.11191	6.2
319.09760	3.4
320.10434	5.4
321.07697	2.6
321.11179	17.1
324.09961	5.8
336.09827	3.9
339.12302	21.9
351.12289	48.7
355.74115	1.0
369.13388	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	369.1337
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
53.00307	1.4
55.01870	1.5
65.03931	3.6
67.05497	3.2
68.99783	2.9
69.03427	1.3
70.65653	2.2
74.20109	0.7
79.05477	1.4
81.03416	3.0
85.02923	1.5
89.03930	0.8
91.05488	4.3
91.95181	0.7
93.03407	4.5
93.07014	1.3
95.04967	0.8
103.05481	1.1
105.03363	1.3
107.04987	1.5
109.02869	3.1
109.06497	0.9
111.04462	1.0
115.05438	2.0
117.03393	1.0
119.04984	6.1
121.02888	4.1
121.06553	1.3
123.04457	2.0
127.03940	0.8
128.06241	1.1
130.07796	0.9
131.04930	1.2
131.08553	2.7
133.02875	2.1
133.06491	0.7
135.04404	3.1
136.05209	1.2
137.02373	4.2
137.05975	1.2
141.07010	1.2
144.05701	1.1
145.06480	3.4
146.07272	0.8
147.04393	4.8
147.08070	1.1
149.02383	5.1
149.05975	0.9
151.03914	77.0
151.07536	13.0
157.06494	10.6
158.07285	8.9
159.08099	4.6
161.06020	1.0
163.03828	1.1
165.05496	1.0
165.06961	0.8
165.09143	1.4
167.03439	1.3
171.08041	2.3
172.08841	3.6
173.05960	3.7
174.06744	2.4
175.03920	12.9
175.07507	1.3
177.05510	2.3
177.09189	0.9
178.07704	0.9
179.06982	1.7
181.06575	0.8
185.05988	1.7
186.06746	2.7
187.07535	5.0
188.08347	7.4
189.05444	4.4
189.09125	6.6
190.07854	0.8
191.08531	1.5
195.08035	1.3
197.06009	2.2
199.07539	1.8
201.05368	2.7
201.09119	100.0
202.09897	26.4
203.07033	1.9
203.10696	12.7
206.07288	1.8
207.06485	14.2
207.08047	1.1
207.09807	0.8
209.09550	1.1
213.09067	2.6
214.09866	1.8
215.10626	1.0
219.08066	2.7
220.08824	1.1
221.09674	1.8
222.10463	1.0
223.07544	1.3
231.08078	2.4
231.10153	8.0
233.06085	0.8
233.09708	1.0
234.06708	2.9
234.10335	1.2
235.07509	5.2
236.08179	0.9
238.09949	1.9
239.10690	0.8
241.08514	2.0
247.07651	4.7
249.09119	7.8
250.09814	1.5
251.06949	2.3
251.10583	1.4
254.05833	1.4
261.09085	3.2
262.06192	1.2
262.09940	3.5
263.07031	7.4
263.09900	1.1
264.07813	1.2
265.08609	1.0
265.12317	0.9
267.06555	1.1
269.07996	1.5
275.07010	3.7
275.10535	1.0
276.07733	3.1
277.08597	13.7
278.09348	5.4
279.06479	2.6
279.10141	2.3
281.08221	1.4
281.11761	1.8
289.08600	2.7
290.09396	5.2
291.06491	2.5
291.10132	2.5
292.07376	1.6
293.08109	3.2
293.11700	8.0
294.08765	2.7
295.06174	1.0
295.09500	1.3
298.08307	9.3
299.09009	1.8
303.10245	1.0
305.08167	5.0
306.09030	4.2
307.09677	7.6
308.10355	2.3
309.07715	1.8
309.11157	4.9
311.09232	1.4
311.12634	1.0
319.09637	3.0
320.10571	4.2
321.07697	2.2
321.11182	15.2
323.09265	1.1
324.09967	4.3
336.09958	2.5
337.10510	1.2
339.08426	1.7
339.12302	17.2
351.08121	1.7
351.12341	34.0
369.09488	1.6
369.13406	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	369.1336
Annotation	5,4'-Dihydroxy-5''-(1-hydroxy-1-methylethyl)-4''-methoxyfurano[2'',3'':7,6]isoflavone
Peak:m/z	Relative Intensity
55.01858	3.6
55.05495	1.2
60.08175	1.3
65.03946	2.1
67.05507	1.5
68.47070	1.3
68.99771	2.4
69.03426	1.4
70.76250	1.6
70.76604	2.5
71.75328	1.2
75.06989	1.2
79.05476	1.8
81.07056	3.8
83.04964	1.3
91.05474	2.7
93.07034	2.2
95.08594	3.8
103.05461	2.0
105.07041	1.9
107.04991	2.8
108.05714	5.5
115.05447	3.7
117.07033	2.8
121.02845	1.5
123.08066	3.4
123.11710	2.3
128.06242	2.3
129.06998	3.3
131.04912	4.5
131.08540	2.1
135.04434	37.6
136.05229	6.6
137.05981	10.2
141.06909	1.3
143.04938	2.4
143.08543	2.0
145.06480	3.4
149.02362	100.0
149.05934	7.3
151.03923	3.8
151.07561	96.8
157.06453	2.6
158.07027	1.1
159.08044	2.3
161.05966	3.0
163.03941	11.7
163.07590	1.7
164.07890	2.1
165.05508	14.8
165.06865	2.2
167.08534	2.1
169.06490	3.0
171.08080	1.4
173.05984	7.1
174.06763	1.3
175.07524	3.3
177.05457	1.3
178.07680	1.2
180.05768	1.2
182.07253	1.3
185.05943	3.2
187.07553	4.7
189.09106	2.4
195.08023	4.8
197.05984	2.1
199.07532	2.3
201.05396	1.7
201.09128	2.8
203.06967	5.0
203.08580	2.7
205.08478	1.4
210.06700	2.7
211.07472	2.4
215.08572	4.7
219.08035	1.7
219.10005	2.9
222.06779	7.8
223.07544	6.1
225.09084	3.4
229.08566	2.2
230.96400	1.3
231.08124	3.5
232.08878	1.9
233.09598	3.3
235.07553	9.7
237.05431	1.8
238.06282	30.6
243.08101	2.7
247.07510	2.1
248.08148	1.3
249.09137	1.6
252.07802	4.0
253.08640	23.8
259.07565	1.8
260.08176	3.1
261.09106	4.9
263.07120	5.8
263.10526	2.6
266.05737	10.2
268.07324	2.8
269.08029	2.4
271.07538	1.4
273.09082	5.3
275.07007	6.4
275.10632	1.6
276.07965	2.0
277.08652	2.8
281.08105	88.3
282.08554	2.2
283.09619	4.1
289.08551	6.1
290.09296	1.9
291.10098	4.9
293.08081	4.7
293.11487	2.4
298.08398	3.3
298.11713	2.0
301.08539	4.5
303.10071	1.4
305.08069	5.8
305.11346	1.8
307.09567	3.5
309.11029	2.0
311.08936	1.4
318.08914	3.9
319.09680	5.9
320.10324	4.5
321.11273	9.3
323.12863	3.2
333.11301	15.4
339.12277	2.4
351.12280	27.7
369.13300	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	1.2
55.01865	3.4
65.03938	1.7
67.05494	1.4
68.79259	0.9
68.99794	2.7
69.63297	6.0
70.37259	0.9
91.05544	1.0
93.03400	3.8
98.21516	1.2
105.03400	1.3
109.02887	2.1
115.05450	1.2
121.02885	3.5
123.04404	1.9
128.06218	1.1
129.07013	2.2
129.21721	1.0
131.04851	0.9
131.08551	1.9
133.02852	2.4
133.91591	0.9
135.04402	3.3
137.02347	4.9
143.04901	1.0
145.06528	3.2
151.03915	74.0
151.07539	11.0
157.06480	9.3
158.07317	9.4
159.04425	1.3
159.08084	5.0
161.06081	1.3
163.03934	1.3
165.05487	1.2
167.03317	1.4
171.08054	2.1
172.08853	5.0
173.05986	4.4
174.06789	2.7
175.03928	2.2
178.07915	1.1
179.06992	1.2
182.07462	1.2
183.08037	1.3
185.05923	1.2
186.06805	3.3
187.07588	5.5
188.08339	6.5
189.05437	3.1
189.09135	7.9
197.06017	1.8
199.07553	1.2
201.09117	100.0
202.09909	25.8
203.10663	9.2
206.07237	1.4
206.63379	1.1
207.08031	2.4
209.09630	1.1
213.09111	2.0
214.09796	2.2
215.08772	1.4
219.07999	3.4
219.10077	1.1
221.09628	2.2
231.08150	1.2
231.10181	11.0
233.09676	1.8
234.06639	2.9
235.07582	5.7
238.09822	2.1
239.10545	1.3
241.08540	2.1
247.07523	3.6
248.08336	1.2
249.09122	7.7
250.09845	1.8
251.07028	2.7
253.12297	1.1
258.06439	1.3
261.09061	2.7
262.09854	3.7
263.07028	6.5
265.08569	1.3
265.12262	1.4
268.07193	1.1
269.08188	1.2
275.07059	3.3
276.07864	1.7
277.08609	12.2
278.09335	7.8
279.06497	1.6
279.09845	1.3
281.11658	1.5
284.06839	1.2
289.08508	3.2
290.09396	3.8
291.06644	1.7
293.08154	2.8
293.11731	6.3
294.08905	2.9
298.08392	9.0
299.09055	3.0
305.08035	3.7
306.08856	3.8
307.09573	8.3
308.10532	1.5
309.07599	1.3
309.11142	3.2
319.09644	1.6
320.10361	5.3
321.07678	1.6
321.11182	15.4
323.12714	1.5
324.09946	4.6
336.09949	2.4
339.12274	17.4
351.12311	31.9
369.13364	16.6
379.75635	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1337
Annotation	Glycyrrhisoflavanone
Peak:m/z	Relative Intensity
51.02374	0.6
52.66366	0.4
53.00307	0.9
53.03944	0.7
55.01877	2.6
58.74307	0.3
65.03947	2.5
66.59597	0.4
67.05512	2.4
68.99806	2.7
69.03411	1.1
69.07069	0.5
70.97167	0.9
70.97550	0.3
73.65029	0.4
79.05483	0.8
81.03410	1.7
91.05476	1.7
93.03410	3.0
93.07031	0.7
93.79429	0.3
95.04931	0.6
105.03399	0.6
105.07030	0.7
107.01371	0.4
107.04958	1.1
108.05747	0.6
109.02880	1.9
111.04436	0.5
115.05419	0.8
117.07000	0.6
119.04967	2.0
121.02895	3.8
123.04423	1.9
128.06204	1.4
129.07033	1.9
130.07759	0.6
131.04901	1.2
131.08562	2.0
133.02893	3.2
133.06491	0.5
135.04430	2.7
136.05138	1.0
137.02354	4.8
137.05952	0.9
141.06946	1.4
143.04945	1.1
143.08586	0.8
144.05693	1.1
145.02846	0.5
145.06474	3.4
147.04465	2.3
149.02359	2.1
151.03920	73.1
151.07532	11.3
152.04301	1.1
157.06506	9.9
158.07297	8.0
159.04370	0.7
159.08073	5.0
160.05183	0.4
161.05971	0.9
163.03877	1.4
165.05548	1.2
165.09126	0.5
167.03433	1.2
169.07719	0.5
171.08049	2.0
172.05171	0.7
172.08833	3.3
173.06018	2.8
173.09621	1.3
174.06845	2.2
175.03912	4.5
175.07506	1.4
176.08427	0.5
177.05469	1.6
177.06898	0.4
177.09123	1.2
178.07755	0.7
179.07066	0.5
179.08452	0.7
181.06526	0.5
182.07275	0.5
183.08060	0.8
185.06009	1.3
186.06754	2.3
187.07576	5.8
188.08348	6.6
189.05492	4.3
189.07079	0.8
189.09113	6.9
190.07721	0.6
191.07072	0.5
191.08604	0.9
195.08115	1.1
197.06001	1.0
198.06691	0.4
199.07555	1.0
201.05389	2.5
201.09128	100.0
202.09900	29.1
203.06938	0.6
203.08653	1.0
203.10649	10.5
205.06549	1.0
206.07321	1.1
207.06432	3.3
207.08128	1.3
207.09996	0.6
208.08803	0.6
209.09837	0.6
211.07547	0.5
212.08330	1.1
213.09134	2.5
214.09897	1.9
215.10683	0.7
216.07855	0.7
217.06567	0.5
218.07249	1.3
219.08157	2.4
219.09987	0.7
220.08730	0.6
221.06075	0.5
221.09631	1.8
222.10390	0.9
223.07536	2.3
225.05504	0.9
225.09094	0.7
226.06242	0.6
226.09891	0.4
227.10483	0.4
231.08075	1.3
231.10155	8.5
232.08914	0.9
232.10893	1.2
233.09688	1.4
234.06827	2.4
234.10446	0.9
235.07564	4.4
236.08122	0.5
237.05710	0.5
237.09082	0.4
238.09990	1.5
239.07048	0.5
239.10634	1.0
241.08672	2.1
245.05904	0.5
246.06775	0.7
247.07542	4.5
248.08351	0.8
249.05463	0.5
249.06226	0.4
249.09116	7.4
250.06238	0.7
250.09892	1.4
251.07005	2.7
251.10666	1.3
253.12251	1.3
254.05823	1.4
255.06554	1.2
259.07556	0.6
260.08319	1.0
261.09195	2.9
262.06180	0.8
262.09915	5.1
263.07043	7.1
264.07852	1.3
265.08649	1.8
265.12131	0.6
266.09296	0.7
267.10208	0.9
268.07449	0.5
269.08060	1.2
275.07065	3.2
275.10818	0.6
276.07809	1.8
277.05539	0.5
277.08627	12.6
278.09387	7.2
279.06552	2.0
279.10135	1.3
281.08203	1.2
281.11740	2.3
283.05902	1.2
283.09451	0.5
284.06744	0.5
288.07782	0.9
289.08609	3.3
290.09372	5.3
291.06573	2.2
291.10153	1.6
292.07269	1.7
292.10648	0.6
293.08130	2.7
293.11737	6.7
294.08752	2.6
295.06277	0.4
295.09735	0.6
298.08398	9.5
299.09125	2.2
303.10184	0.9
304.07382	0.5
305.08139	4.6
306.08951	4.3
307.09607	6.3
308.10419	2.8
309.07581	1.9
309.11203	4.9
311.09100	1.4
311.12613	0.8
319.09622	2.6
320.10504	5.0
321.07642	2.1
321.11188	13.8
323.09143	1.2
323.12598	0.8
324.09940	4.7
325.10794	0.5
335.09326	0.5
336.09915	2.7
337.10678	0.6
338.11273	0.5
339.12305	19.4
341.14084	0.5
342.04373	0.4
351.12320	30.1
352.12451	0.6
369.13379	16.7
370.13782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1334
Annotation	Glycyrrhisoflavanone
Peak:m/z	Relative Intensity
53.03931	1.6
55.01870	2.6
55.05503	2.1
58.06593	2.4
65.03943	3.6
67.05499	4.2
68.99793	2.7
69.03432	5.9
69.07063	2.3
69.63606	5.7
70.00352	0.9
72.11801	0.9
79.05495	1.7
81.03417	5.7
81.07056	3.8
83.04993	1.4
83.08620	1.1
85.02906	2.4
85.43544	0.8
91.05487	8.1
92.53345	0.9
93.03429	2.0
93.07026	2.2
95.04960	2.2
95.08604	3.0
97.02888	1.8
97.06506	1.3
98.21497	1.3
99.04420	1.0
103.05460	2.0
105.07023	3.6
107.04940	2.1
107.08603	2.1
109.02884	6.4
115.05433	2.8
117.03371	1.3
119.04951	11.3
119.08552	1.5
121.02861	4.2
121.06458	1.6
123.04449	3.1
123.11730	1.4
127.03925	1.7
129.07040	2.4
131.04918	1.9
131.08591	2.4
132.01131	1.6
133.02856	4.0
133.06471	1.5
133.10156	1.4
135.04424	3.0
136.05185	1.2
137.02333	2.9
137.05981	1.9
139.03903	1.7
141.07019	1.9
144.05666	1.5
145.02838	2.6
145.06459	3.1
147.04431	9.5
149.05931	1.8
151.03908	68.2
151.07544	13.3
151.11183	1.2
153.05499	1.6
157.06476	9.6
158.07265	9.1
159.08046	4.5
161.05963	2.8
161.09673	1.4
163.03934	2.2
165.05522	1.4
165.09151	1.3
167.03424	1.4
167.07106	2.7
171.08092	1.0
172.08844	3.5
173.06020	2.8
174.06784	2.0
175.03925	16.8
175.07544	1.3
177.05482	7.8
177.09151	0.9
179.07092	2.3
185.05981	1.7
186.06706	2.1
187.07552	6.3
188.08324	6.9
189.05463	4.8
189.09102	6.7
195.08142	1.7
199.07547	1.7
201.09114	100.0
202.09885	24.5
203.10738	10.3
205.06570	1.2
207.06537	29.2
207.08400	2.0
207.10179	3.0
213.09180	2.3
214.09856	2.0
215.07030	2.1
218.07220	1.8
219.08069	3.2
221.09543	2.5
231.08182	1.7
231.10193	8.3
233.09589	1.1
234.06764	2.9
235.07445	4.6
237.09169	1.4
237.18503	1.8
238.09985	1.4
241.08620	1.7
245.06145	1.3
246.06712	1.6
247.07504	5.1
249.09174	6.9
250.09801	1.8
251.07103	1.5
253.12228	1.3
254.05754	1.4
259.07471	1.5
261.08969	2.5
262.09839	4.2
263.07001	7.8
265.08563	1.7
266.09186	1.1
269.07806	1.3
275.07013	3.5
276.07870	3.4
277.08600	11.8
278.09451	6.7
279.06595	2.5
279.10059	1.6
280.07266	1.0
281.08258	1.0
281.11771	2.5
289.08585	3.2
290.09439	5.6
291.06586	2.2
291.10025	1.3
292.07257	1.3
293.08109	3.9
293.11697	5.2
294.08896	2.6
298.08340	9.5
299.09085	2.9
305.07925	4.1
306.08777	2.7
307.09546	6.5
308.10275	1.9
309.11157	4.5
311.09253	1.8
311.12817	1.2
315.08786	1.3
319.09744	3.4
320.10403	4.1
321.07693	1.9
321.11136	13.3
324.09894	4.4
336.09842	2.8
337.10825	2.4
339.12271	17.7
351.12344	30.6
369.13327	19.5
369.18719	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1329
Annotation	5,4'-Dihydroxy-5''-(1-hydroxy-1-methylethyl)-4''-methoxyfurano[2'',3'':7,6]isoflavone
Peak:m/z	Relative Intensity
53.05225	1.7
67.05489	2.1
68.99127	1.8
69.59969	5.4
69.60375	3.7
73.56044	1.3
79.05487	2.0
79.10677	1.4
81.07051	2.0
91.05494	3.0
95.04958	2.7
98.20975	5.4
98.21582	2.5
105.07042	2.9
115.05409	1.9
121.02872	1.4
123.04435	2.1
133.06511	1.6
135.04457	9.7
136.05205	4.6
141.07056	1.9
145.06480	5.8
149.02350	1.9
151.03902	35.9
151.07556	41.6
157.06500	1.7
159.04381	2.2
161.06062	1.6
163.03911	2.7
165.05519	4.0
165.09125	2.2
169.06462	2.6
172.08943	1.5
173.06018	5.5
179.03360	1.8
179.07077	4.9
181.06528	2.3
188.08369	2.9
189.05492	6.9
189.09099	3.1
191.03363	2.6
191.06982	2.1
197.06015	11.6
201.05511	8.9
201.09106	6.8
203.06992	3.4
203.10541	3.2
209.05867	2.0
211.07552	4.0
213.05498	1.9
218.07396	1.7
219.08115	2.5
225.05568	11.1
227.06996	3.3
231.06487	4.1
231.10211	3.4
234.06622	1.6
235.07558	4.0
239.06902	1.7
241.04871	3.0
241.08585	17.6
247.07553	3.3
249.09315	3.6
250.09978	2.4
251.06902	2.4
254.05728	2.8
255.06523	21.2
259.07202	1.9
261.09149	4.4
262.09735	3.4
263.07111	2.6
265.12439	1.9
267.06659	4.8
268.07352	11.3
269.04578	3.4
269.08014	3.2
275.06918	2.3
277.08615	4.4
278.09338	5.1
279.06604	2.3
282.05310	2.6
283.06116	11.6
283.08926	2.7
284.06808	6.5
289.08600	2.2
290.09286	4.2
290.51767	1.8
291.06580	2.4
293.08389	2.1
293.11761	6.1
295.09406	1.8
297.07678	4.3
298.08377	100.0
299.09140	25.6
305.08118	10.4
306.08719	2.6
307.09808	2.0
308.10715	2.0
309.11328	2.4
311.09195	16.4
314.91306	1.5
319.09680	7.6
320.10510	12.1
321.07675	4.2
321.11234	13.6
323.12656	2.0
324.09933	4.2
336.09937	6.2
339.12262	6.5
341.13855	2.7
351.12296	47.6
368.42572	2.1
369.13342	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01337	1.5
55.01855	2.4
65.03954	1.4
67.05502	2.9
71.53628	2.2
74.33089	1.5
79.05518	2.4
81.07043	3.3
91.05456	2.1
93.07043	2.3
95.75101	1.8
105.07021	3.0
107.04932	2.4
115.05476	2.7
119.08562	2.9
122.06056	2.1
123.04443	2.6
124.12083	1.7
127.76139	1.7
129.07011	4.4
131.04900	2.7
132.57393	1.7
135.04427	17.3
135.53964	1.5
136.05226	4.8
139.05374	2.2
145.06502	4.8
148.07982	2.1
149.02422	3.0
151.03912	41.2
151.07544	43.0
153.06966	3.4
157.06483	5.9
159.04407	3.0
161.05994	3.2
163.03894	1.9
163.07555	3.6
165.05482	3.6
167.03432	10.5
173.06004	13.1
175.68520	1.9
177.05498	2.4
179.07079	3.2
181.06540	5.6
185.05991	21.8
186.06775	2.9
187.07581	2.8
189.05547	10.5
189.09193	4.8
191.03389	1.9
191.07037	3.1
191.08644	1.9
193.08614	1.8
197.05949	13.1
201.05476	11.4
201.09064	9.4
203.07039	2.7
203.10707	2.4
211.07422	5.6
215.06931	2.9
219.08144	3.7
225.05423	12.7
226.06161	2.8
227.06815	2.8
231.06532	5.9
231.10149	3.9
235.07556	4.2
241.08601	14.3
247.07639	4.7
249.09079	3.8
251.10672	2.2
253.08665	3.3
254.05602	3.0
255.06514	21.0
262.09897	4.6
263.07184	3.7
263.10641	2.3
265.08481	2.3
267.06467	3.5
268.07339	9.0
269.04556	2.8
269.08243	4.2
270.08792	1.8
275.07016	2.2
276.07739	2.7
277.08609	7.0
278.09329	2.5
278.63782	2.4
279.06503	2.4
279.10034	2.1
281.08038	2.3
283.05981	10.8
284.06741	6.9
289.08472	2.7
290.09308	5.5
293.08078	3.9
293.11728	6.5
297.07501	4.0
298.08365	100.0
299.09073	23.9
305.08167	11.2
306.08783	3.3
307.09573	3.1
309.07532	2.2
311.09225	14.1
319.09735	7.6
320.10419	17.7
321.07504	4.4
321.11246	14.1
324.09900	4.1
325.10794	1.9
336.09845	7.3
339.12088	8.7
341.14026	1.9
351.08072	3.6
351.12247	47.7
369.09470	2.5
369.13339	28.6
369.26138	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	369.1183
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
51.84501	0.4
69.03429	0.5
70.08824	1.7
83.04978	1.2
84.08168	0.8
85.02905	0.9
85.08472	0.5
89.03928	6.5
98.21471	0.6
103.05491	0.5
106.04172	0.6
117.03391	20.0
119.04969	0.5
134.03635	1.5
135.04425	1.1
144.10202	1.1
145.02858	51.2
149.05989	6.9
163.03979	0.6
177.05486	100.0
178.05830	1.1
189.12753	0.5
207.06470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.01866	0.6
57.03432	0.9
59.05003	0.7
63.02378	0.9
65.03932	0.7
67.05501	1.1
69.03429	3.1
69.07066	0.7
70.06596	1.2
71.52496	0.6
77.78125	0.4
78.04740	0.5
79.05513	0.7
81.03426	1.0
81.07072	1.0
83.04980	0.9
84.08139	1.0
85.02914	7.5
86.09730	0.6
89.03924	8.3
91.05487	1.4
93.07042	0.9
95.04983	0.8
95.08587	0.4
97.02893	1.7
98.97588	0.4
99.04485	0.8
103.05485	0.9
105.07019	0.9
106.04172	1.0
107.04971	0.6
107.08606	0.9
109.02901	0.9
109.10161	0.9
110.07188	0.5
111.04507	0.6
116.88591	0.4
117.03393	23.3
117.07008	0.6
119.08564	1.5
120.08096	0.7
121.06519	5.4
121.10086	1.0
123.04422	0.6
123.11742	3.8
125.06020	1.3
127.03949	2.8
128.04198	0.6
131.08606	0.7
133.06474	1.2
133.10152	0.6
134.03615	2.0
135.04439	1.7
135.08037	0.7
137.05942	0.4
139.03963	0.6
139.07570	1.1
143.08560	0.6
145.02858	55.0
145.10088	0.6
146.03197	0.5
147.04494	0.7
147.08072	0.4
147.11710	1.2
149.05988	8.2
149.09570	0.5
151.07542	1.2
157.06386	0.4
161.09674	0.5
162.03123	0.7
162.31532	0.4
163.03928	0.9
165.01828	2.1
165.05548	0.4
173.16220	0.4
175.03838	0.5
175.07669	0.8
177.05486	100.0
186.05527	1.0
188.07085	1.6
189.07396	1.2
189.12727	3.0
201.09119	0.5
207.13828	4.9
225.14862	1.5
285.07385	1.4
337.11237	0.4
338.52979	0.6
351.17923	1.0
369.14478	0.7
369.19083	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	369.1183
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
55.18685	0.4
56.96564	0.4
57.03421	0.8
67.05504	0.5
69.03430	2.4
69.19791	4.8
70.06596	0.7
71.04967	0.8
81.03414	1.0
82.72193	0.6
83.08632	0.5
85.02904	4.7
87.04467	0.5
89.03915	6.8
91.05491	1.3
92.65316	0.4
97.02888	1.6
100.32079	0.4
103.05461	0.7
105.07028	0.5
109.10137	1.7
115.03917	0.6
116.27645	0.5
117.03383	24.1
117.07076	0.7
121.06499	0.6
123.11697	1.5
127.03909	0.9
133.04990	0.7
133.06520	0.7
134.03633	1.5
135.04404	1.8
143.66394	0.5
145.02855	53.2
147.04414	0.7
149.05994	8.8
151.07518	0.7
161.06194	0.6
163.03944	0.5
163.07578	1.1
177.05478	100.0
178.05846	1.4
186.05507	0.9
189.12732	0.8
202.09566	0.5
207.13759	2.2
207.15654	0.5
219.01825	0.5
219.36894	0.5
240.92343	0.5
333.16757	0.6
341.57605	0.5
369.18799	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.6
55.05508	10.7
57.03448	3.0
57.07080	6.7
58.06610	8.7
59.05004	3.0
59.06956	1.3
61.02932	3.0
63.33165	1.3
64.14165	1.2
67.05515	2.9
69.03440	12.7
69.07073	61.6
70.06568	2.0
70.77121	3.9
71.04997	2.8
71.08631	3.3
73.02930	1.5
73.06549	3.7
79.05513	2.7
81.03423	6.1
81.07062	24.0
83.04990	3.1
83.08617	11.8
85.02911	26.7
87.00830	4.7
91.05481	4.0
93.07056	14.4
95.08058	1.9
95.08614	19.8
97.02909	8.5
97.06544	10.0
99.04415	1.4
99.08108	2.8
100.11253	2.2
105.01849	6.7
105.07069	1.8
107.04971	1.6
107.08607	11.2
109.02896	4.1
109.10167	10.2
111.08086	5.0
111.11729	35.3
113.09663	2.1
115.07591	3.0
119.04914	3.6
125.13282	4.9
127.03918	8.6
129.12813	1.5
130.00911	1.3
132.01172	2.2
135.04460	1.5
135.11687	18.6
145.02873	1.3
145.05002	3.5
147.04420	2.4
153.12761	86.7
160.07536	1.6
161.07951	1.5
171.13818	100.0
175.03926	7.1
177.05475	1.7
189.14871	23.8
207.06551	8.3
350.16815	1.7
351.10925	1.9
358.71631	4.6
359.21521	2.5
367.72119	16.8
368.22357	8.3
368.72238	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	368.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05510	0.1
56.71734	0.1
58.06596	0.1
64.20338	0.1
67.05517	0.1
68.99487	0.1
68.99821	0.3
69.03413	0.1
69.07064	0.2
69.73621	0.2
69.74024	0.3
70.06590	0.3
79.01875	0.2
81.03412	0.2
81.07058	0.3
82.06579	0.4
84.08148	21.1
85.02906	0.1
86.09743	0.1
87.00860	0.1
91.05499	0.3
93.07032	0.1
95.05025	0.1
95.08612	0.2
97.02901	1.3
98.03220	0.3
99.00819	0.1
105.07011	0.1
107.05006	0.1
107.08598	0.1
119.04955	1.4
119.08594	0.1
120.05283	0.7
121.02879	2.7
121.10145	0.1
122.03213	1.6
123.00786	0.6
124.01134	0.2
126.44751	0.1
131.08636	0.1
135.08052	0.1
137.02368	0.5
138.02713	0.3
141.01840	2.0
142.02158	0.8
144.10207	10.6
145.02864	0.1
151.67183	0.1
163.03940	0.1
165.01846	15.6
166.02184	10.2
167.02287	0.2
179.03342	0.1
183.02901	4.8
184.03247	3.0
204.03842	0.1
214.05725	0.2
255.06569	0.1
256.06827	0.3
271.06073	1.2
272.06372	3.4
283.06030	26.4
284.06354	100.0
285.06570	2.2
296.06570	0.2
298.07980	0.3
308.06244	0.2
322.07892	0.8
326.07477	0.1
350.07425	1.1
368.08505	9.4
368.24338	15.3
369.09195	0.4
369.24756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.2
55.05888	1.3
57.03450	1.7
57.07066	4.0
58.45487	1.3
60.38331	1.4
60.69390	1.5
67.05505	5.6
69.03419	4.3
69.07076	8.0
71.04945	1.8
71.36465	2.1
72.04525	82.8
79.05502	10.2
81.07058	11.3
83.04990	2.7
91.05485	5.6
93.07061	12.5
95.04967	3.4
95.08606	5.8
97.02905	13.4
97.06529	3.4
97.10175	3.7
99.08051	1.4
105.07054	5.9
107.08605	5.4
109.10168	2.4
111.04436	7.8
113.06005	3.5
114.09178	12.6
117.07052	1.4
119.08572	4.3
121.06551	8.0
121.10162	12.4
123.04436	24.6
128.10732	4.4
129.07028	2.0
131.08597	12.8
133.10132	2.4
135.04414	6.4
136.08734	1.8
137.05991	2.1
141.74644	1.6
142.12294	2.2
147.08038	4.2
149.09647	13.6
151.07555	5.8
159.76889	1.3
161.13280	3.1
164.49031	1.7
165.05504	1.5
167.10698	15.6
169.80685	1.4
171.11749	2.0
178.36021	1.5
184.16980	60.2
185.05942	1.5
189.12709	4.9
201.09137	1.3
202.18045	100.0
207.13747	2.2
225.08946	1.4
235.13248	2.5
241.64168	1.4
253.14368	9.2
262.18164	1.7
280.19122	44.2
294.21426	3.9
297.07373	2.2
320.09985	1.7
350.26849	1.9
368.12073	5.0
368.27530	7.8
368.32208	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	367.2846
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
53.03949	1.8
55.05299	1.3
55.05518	12.3
57.03415	1.4
57.07069	4.5
58.06605	13.7
59.05007	1.6
66.92002	1.2
67.05513	13.6
68.05830	2.1
69.03432	1.6
69.07075	15.4
71.05005	2.0
71.08365	1.1
71.08646	11.5
71.53971	1.8
72.08145	5.9
79.05488	6.6
81.07064	20.9
83.05002	2.1
83.08633	9.1
85.02910	1.5
85.06541	2.3
91.05477	5.9
93.07040	9.8
95.04957	1.5
95.08615	21.0
96.08955	1.9
97.06533	3.1
97.10173	1.4
99.08093	12.2
105.07043	5.4
107.08588	9.4
109.06573	5.7
109.07247	1.5
109.10166	9.6
111.08116	2.5
117.07064	1.4
119.08613	7.0
121.10175	7.2
123.08073	22.8
123.11697	4.0
125.06016	1.4
125.09648	2.2
131.04948	4.4
131.08592	2.8
133.10144	8.0
135.04462	3.2
135.08089	4.8
135.11693	4.3
137.09592	1.8
137.13261	1.6
137.67261	1.2
142.35381	1.1
145.10152	2.8
147.11697	4.2
149.09651	1.7
149.13310	3.1
151.11206	2.0
153.12679	5.7
159.11699	1.7
160.07578	4.7
160.85757	1.1
161.05934	1.2
161.09694	1.5
161.13324	1.8
163.07555	7.7
163.14853	1.9
165.12827	1.3
167.14322	1.7
175.14787	1.8
177.12735	1.4
179.14334	29.5
181.12360	1.4
188.32681	1.3
189.16373	1.7
223.17157	1.5
251.20135	9.4
293.21103	10.4
293.28290	2.6
303.26846	11.9
308.26801	6.2
321.27820	6.9
321.79831	1.3
331.26328	39.4
349.27393	100.0
367.18622	4.3
367.29123	9.5
367.33780	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	368.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.3
57.03452	0.6
58.14243	0.3
61.02932	0.8
64.27672	0.2
67.27861	0.3
69.03448	2.3
69.51301	1.9
71.01408	0.2
72.90514	0.3
73.02913	0.3
73.44644	0.2
78.34541	0.3
81.03415	0.8
85.02909	6.4
85.03381	0.5
86.80733	0.3
87.04482	0.5
91.03958	0.5
97.02922	1.7
98.97607	0.4
109.02843	0.6
127.03929	1.0
132.04462	6.5
132.05415	0.5
145.04997	1.3
160.03943	1.5
163.03925	1.1
164.04233	0.4
178.05011	60.0
179.05351	0.5
206.04501	100.0
207.04883	0.9
368.09641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.8
56.08371	5.0
58.06359	7.2
58.06611	91.3
61.44775	4.2
61.91811	4.2
67.05500	17.7
69.07071	15.3
69.26109	16.1
69.26530	24.1
70.06596	41.8
79.05504	62.5
81.07068	34.9
91.05482	27.0
93.07046	13.5
95.04960	13.6
95.08604	9.0
96.79849	4.2
97.06565	5.6
98.66821	4.3
105.07033	33.1
107.04957	5.7
107.08613	35.8
109.10136	6.2
117.07012	5.0
119.08586	16.1
121.10091	6.8
131.08594	5.5
133.10127	11.9
137.08345	4.4
147.11711	36.6
160.07614	23.8
178.06781	4.7
239.65854	4.8
244.16827	7.7
261.89188	4.6
262.18030	13.3
275.20032	9.3
304.19110	100.0
322.12766	7.7
367.18854	21.3
367.24600	12.2
369.47348	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	367.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.2
55.05508	24.1
57.07069	16.8
58.06608	78.0
62.17429	7.6
67.05499	42.5
69.03423	10.2
69.07080	28.2
69.43314	62.1
71.04996	10.6
79.05489	41.9
81.07069	73.6
81.18643	7.2
91.05485	45.4
93.07044	97.8
95.04956	27.6
95.08612	77.6
97.06525	12.6
98.21493	10.8
99.35519	9.6
105.07037	84.3
107.08604	86.4
109.06509	13.9
109.10147	44.5
117.07014	24.1
119.08594	100.0
121.06496	9.9
121.10131	46.4
123.08071	8.2
123.11717	19.7
128.06210	11.7
129.07047	18.8
131.08577	58.3
133.10139	53.2
135.08057	17.4
135.11710	35.6
137.09576	7.6
141.07069	7.3
142.07816	18.3
143.08575	32.3
145.10115	64.7
147.08043	10.1
147.11696	21.5
149.09717	15.0
149.13405	8.5
155.10698	25.0
156.09305	8.6
157.10161	45.9
159.11729	38.3
160.07576	39.6
161.09637	31.0
161.13283	8.5
169.10162	22.2
171.11670	21.2
173.13303	23.8
175.14833	27.7
177.12813	14.7
178.07658	9.7
179.08575	12.7
181.10089	10.4
183.11728	26.4
185.13228	13.6
187.14793	14.3
197.13269	21.6
199.14790	12.8
209.13304	19.6
211.14816	8.1
227.14360	15.9
294.07828	7.6
322.12946	8.2
367.18500	29.9
367.26187	11.7
367.30313	8.9
367.34091	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	367.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	9.0
55.05506	25.7
57.07075	14.5
59.04999	9.0
67.05511	34.4
69.03425	7.4
69.07059	21.7
69.47057	6.0
71.52404	7.6
79.05492	35.0
81.07063	55.2
81.59566	4.9
83.08611	7.0
85.06537	9.8
91.05492	54.1
91.21568	4.4
93.07055	63.3
95.04986	32.0
95.08601	47.8
97.06544	12.9
105.07030	90.5
107.04906	7.0
107.08604	67.2
109.06483	13.8
109.10172	39.6
109.59338	4.5
115.35048	4.6
117.07022	17.9
119.08585	100.0
121.06483	11.2
121.10164	41.9
123.08131	7.0
123.11708	13.7
128.06242	10.8
129.07018	12.5
130.07748	6.2
131.08592	60.2
131.46422	5.7
133.10121	61.1
135.08031	15.0
135.11674	19.3
142.07736	12.4
143.08565	41.8
145.10146	61.6
147.08054	8.4
147.11671	22.6
149.09587	14.7
149.13239	8.6
155.08534	16.6
156.09326	12.3
157.10103	41.5
159.08070	7.6
159.11734	42.7
161.09653	44.2
161.13268	12.0
163.11172	5.9
166.52333	5.8
169.10074	19.8
170.10872	5.8
171.11674	26.6
172.09036	5.3
173.09612	8.3
173.13281	24.9
175.11223	7.9
175.14841	27.8
179.08488	6.4
183.11710	18.0
185.13293	22.9
187.14862	15.7
194.10809	5.5
195.11702	10.8
197.13272	15.5
199.14841	13.7
201.12888	5.7
207.11635	6.7
209.13245	26.3
211.14882	8.6
213.16336	5.3
223.14725	7.3
227.14302	12.2
239.17883	8.1
251.17874	5.7
283.05969	17.9
329.37906	6.1
338.58459	6.1
349.25409	6.3
367.26141	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28902	2.7
55.05503	2.9
58.06604	51.0
67.05496	12.9
69.07046	3.2
69.86640	14.6
70.06599	32.2
74.11115	3.1
79.05493	49.7
79.85503	2.9
81.07049	13.5
83.04936	3.1
91.05485	22.7
93.07047	6.7
95.04966	9.4
105.07045	27.7
107.04972	4.5
107.08597	33.9
109.06562	2.7
109.10194	3.1
119.08594	8.3
119.38045	2.6
127.41168	3.7
133.10152	6.5
137.08434	4.9
147.11716	28.1
155.09399	4.7
160.07599	17.8
175.11217	7.9
204.33713	2.9
244.16959	8.2
262.18048	9.4
286.36801	3.0
304.19089	100.0
322.20105	4.3
367.18643	10.9
367.24710	3.6
392.33185	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.2
55.01877	7.8
55.05514	22.6
56.76857	1.6
57.03442	13.9
57.07074	3.6
59.05003	2.0
65.03939	4.2
67.05515	54.4
69.03429	9.7
69.07081	21.1
71.05003	5.5
72.08151	4.1
72.31755	1.8
72.44953	2.1
79.05500	47.5
81.03436	3.8
81.07069	100.0
83.04996	7.3
83.08634	14.9
83.69678	2.0
85.06564	3.8
90.48366	2.3
91.05492	36.0
91.06026	3.1
93.07051	42.3
95.04974	10.2
95.08617	37.6
97.06580	10.4
97.10204	4.3
99.08102	4.0
105.07043	38.1
107.04987	7.3
107.08607	28.1
109.06534	15.3
109.10170	19.1
111.08131	3.9
117.07041	9.2
119.08593	33.0
121.06528	5.1
121.10172	19.4
123.08120	6.3
123.11728	8.0
125.09667	5.6
129.07024	4.4
131.08585	17.7
133.10144	25.3
135.04489	3.2
135.08080	5.8
135.11719	8.5
137.09647	5.5
143.08591	3.5
145.10152	16.7
147.08150	1.9
147.11719	22.6
149.09621	11.0
149.13306	8.2
151.11218	4.8
155.08716	2.9
157.10213	4.9
159.11752	11.5
161.13283	4.6
163.11209	4.8
165.01926	2.1
165.12796	3.1
169.10204	1.8
171.11705	3.6
173.13322	2.9
175.11264	1.9
177.12704	3.2
179.14412	2.1
183.11810	2.7
185.13422	2.2
187.14948	2.8
195.13799	2.7
197.13321	2.0
213.73524	2.1
217.15829	2.4
229.19669	4.4
235.16924	3.8
239.17996	3.7
247.20631	6.9
253.81757	2.2
257.19022	8.7
269.17551	7.8
275.20093	56.6
283.06012	11.5
284.10556	2.7
293.21295	5.2
296.29694	2.7
349.23810	23.1
367.08057	2.4
367.24820	64.0
367.36923	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.2
55.01877	7.8
55.05514	22.6
56.76857	1.6
57.03442	13.9
57.07074	3.6
59.05003	2.0
65.03939	4.2
67.05515	54.4
69.03429	9.7
69.07081	21.1
71.05003	5.5
72.08151	4.1
72.31755	1.8
72.44953	2.1
79.05500	47.5
81.03436	3.8
81.07069	100.0
83.04996	7.3
83.08634	14.9
83.69678	2.0
85.06564	3.8
90.48366	2.3
91.05492	36.0
91.06026	3.1
93.07051	42.3
95.04974	10.2
95.08617	37.6
97.06580	10.4
97.10204	4.3
99.08102	4.0
105.07043	38.1
107.04987	7.3
107.08607	28.1
109.06534	15.3
109.10170	19.1
111.08131	3.9
117.07041	9.2
119.08593	33.0
121.06528	5.1
121.10172	19.4
123.08120	6.3
123.11728	8.0
125.09667	5.6
129.07024	4.4
131.08585	17.7
133.10144	25.3
135.04489	3.2
135.08080	5.8
135.11719	8.5
137.09647	5.5
143.08591	3.5
145.10152	16.7
147.08150	1.9
147.11719	22.6
149.09621	11.0
149.13306	8.2
151.11218	4.8
155.08716	2.9
157.10213	4.9
159.11752	11.5
161.13283	4.6
163.11209	4.8
165.01926	2.1
165.12796	3.1
169.10204	1.8
171.11705	3.6
173.13322	2.9
175.11264	1.9
177.12704	3.2
179.14412	2.1
183.11810	2.7
185.13422	2.2
187.14948	2.8
195.13799	2.7
197.13321	2.0
213.73524	2.1
217.15829	2.4
229.19669	4.4
235.16924	3.8
239.17996	3.7
247.20631	6.9
253.81757	2.2
257.19022	8.7
269.17551	7.8
275.20093	56.6
283.06012	11.5
284.10556	2.7
293.21295	5.2
296.29694	2.7
349.23810	23.1
367.08057	2.4
367.24820	64.0
367.36923	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
55.05511	4.5
58.06348	2.6
58.06609	28.5
62.60136	1.8
63.64188	1.7
67.05510	3.4
69.03411	4.3
69.07066	11.4
70.20950	1.7
70.89316	3.3
70.89659	2.3
71.05000	21.9
72.49983	2.1
79.05508	9.6
81.03426	2.5
81.07068	84.7
83.04987	6.8
83.08647	2.5
85.02921	12.5
93.07039	6.7
95.04954	2.9
95.08562	2.1
97.06545	4.6
99.08107	6.5
107.08598	11.8
109.06530	3.4
109.10166	20.2
111.08118	4.4
111.11739	8.2
113.00065	2.1
113.09338	1.7
121.10217	2.6
123.11731	25.5
127.03915	2.8
131.55843	2.2
132.22606	1.9
133.10164	4.8
139.11189	11.9
151.11203	32.4
153.52361	1.9
157.12271	14.7
160.07571	10.9
167.66534	2.0
169.12262	44.4
187.13319	100.0
205.14404	24.8
247.87816	2.1
274.86871	2.1
277.66437	2.2
322.12869	3.4
325.62686	2.2
332.09705	2.2
335.39279	2.0
367.18494	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01868	4.6
55.05274	1.9
55.05516	21.4
57.03443	6.4
57.07076	2.2
58.06604	1.2
59.05002	1.6
65.03925	2.2
67.05509	16.7
68.99831	1.4
69.03426	2.3
69.06728	1.9
69.07072	22.6
71.08636	28.1
79.05504	14.2
81.03409	4.0
81.07064	15.4
83.04987	4.9
83.08641	6.2
85.06542	1.3
91.05461	5.9
93.07050	9.9
95.04964	5.2
95.08619	8.7
97.06572	1.8
97.10180	10.0
99.08093	21.3
104.65135	1.1
105.07039	5.9
107.04983	2.7
107.08604	9.3
109.06546	2.7
109.10168	5.3
111.08084	1.4
113.18198	1.2
115.05465	1.3
117.07018	2.6
119.08612	3.8
121.02909	1.3
121.06525	2.8
121.10165	5.1
122.59045	1.0
125.09649	7.6
129.07050	1.7
131.08609	3.2
133.10143	2.9
135.08087	2.2
135.11697	3.3
139.11189	1.3
145.06462	2.8
147.11702	1.8
149.13300	1.7
151.03893	2.8
151.07532	2.5
151.11246	1.6
156.39856	1.2
157.06511	1.4
159.11693	2.2
161.09543	1.6
164.12015	1.4
165.01816	2.0
167.10715	3.2
171.04433	1.5
171.10078	1.3
175.04019	1.3
175.07585	2.1
177.12801	2.2
181.06570	1.2
189.09091	5.1
189.11237	4.5
195.08076	1.6
195.13765	1.7
196.09009	1.4
199.07605	1.6
199.51070	1.1
201.09192	4.6
202.09834	1.3
206.07103	1.6
207.08083	1.5
211.07607	1.4
213.09138	2.5
215.06747	1.3
219.08099	1.6
226.09839	1.2
227.10596	1.4
235.07553	1.6
239.10637	1.7
247.07468	1.6
250.09805	1.6
251.07176	1.9
252.11356	1.3
255.10194	3.7
263.07056	2.1
263.10663	2.7
265.08566	1.5
275.20071	10.4
277.08826	1.3
278.09262	2.2
279.10150	2.4
283.05914	6.1
285.29837	2.9
291.09949	2.6
293.21121	100.0
294.21429	3.1
306.09024	2.4
309.11279	3.2
319.09659	1.7
321.07550	1.6
336.09875	1.9
337.10699	9.7
339.12271	3.1
349.10754	1.8
367.11856	30.1
367.24854	39.8
368.25211	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62448	0.2
56.05035	0.6
58.06601	100.0
59.06934	0.2
70.70645	0.6
75.06326	0.2
78.66414	0.2
85.02901	0.4
115.05480	0.6
117.05740	0.5
132.08058	1.6
133.06505	0.3
134.06020	0.9
154.03880	0.2
160.07579	31.2
205.13365	1.1
300.08395	0.2
304.91974	0.2
322.12854	7.4
367.18649	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1864
Annotation	20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
Peak:m/z	Relative Intensity
56.05027	0.5
58.06602	100.0
61.02917	0.1
69.03437	0.2
70.91425	0.1
70.91760	0.1
81.03418	0.1
85.02898	0.4
97.02918	0.2
105.07025	0.2
115.05463	0.8
117.05761	0.3
132.08084	1.4
132.09004	0.1
133.06516	0.3
134.06021	0.8
142.06549	0.2
143.07315	0.1
159.06824	0.2
160.07579	34.1
187.96658	0.1
205.13351	1.2
296.11221	0.1
322.08792	0.1
322.12854	8.4
367.18643	27.3
368.18701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.5
56.05851	2.3
58.06609	100.0
59.05005	2.1
64.44736	1.9
66.19819	1.6
67.05507	4.9
69.03410	3.6
69.07062	7.1
70.06604	2.5
70.56033	3.9
70.56392	3.8
71.05008	12.9
76.70431	1.8
79.05511	3.8
81.03438	2.4
81.07073	42.1
82.07395	2.0
83.04987	7.3
83.08623	1.8
85.02927	9.6
93.07049	7.8
94.07404	3.3
95.04993	3.4
95.08656	2.2
96.05299	2.0
97.02923	2.5
97.06529	3.4
98.21356	2.0
99.04529	2.6
99.08104	4.4
105.07059	3.2
107.08641	11.3
109.06532	2.8
109.10184	13.0
111.08105	24.2
111.11721	2.8
121.10191	2.1
123.11725	12.6
124.12063	4.0
133.10178	3.8
134.06047	2.3
134.10481	2.9
139.11209	6.3
145.05019	2.8
151.11195	24.2
151.98947	1.9
152.11559	6.9
157.12297	9.6
158.80779	1.8
160.07607	31.6
169.12285	42.8
187.13322	62.4
205.14455	5.6
264.01889	2.1
299.03967	2.4
322.12891	4.8
367.18713	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	367.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
55.01867	4.0
55.05524	19.7
57.03429	3.8
58.06588	8.4
59.04995	3.8
61.02934	3.7
65.29346	2.5
67.05516	5.4
69.03431	14.5
69.07087	16.9
70.06604	14.2
71.04993	26.8
71.37229	5.3
72.08160	15.5
73.02929	3.1
74.88713	3.0
79.05488	13.0
81.03412	7.8
81.07067	100.0
83.04998	6.5
83.08625	25.2
84.08135	9.6
85.02921	26.8
86.09718	7.1
86.94611	2.7
87.00854	6.0
91.05477	5.5
93.07045	10.4
95.04991	5.4
95.08611	4.6
97.02916	13.8
97.06549	7.7
97.10172	4.1
98.97562	5.1
99.04462	3.2
99.08107	4.8
99.89896	2.9
101.09653	16.8
102.05547	3.3
105.01864	8.6
105.07062	4.7
106.02945	3.0
107.08624	18.1
109.02870	5.9
109.06512	4.1
109.10172	26.6
111.08073	4.1
111.11735	8.1
112.07569	3.2
116.07050	3.3
118.03866	2.5
118.06577	3.2
119.10714	4.4
121.10140	7.1
122.06039	3.4
123.11726	31.1
127.03926	11.3
128.74394	2.8
129.10268	3.4
130.06537	3.7
131.06886	6.1
133.10149	9.5
139.11203	13.1
139.24985	3.0
144.08015	4.2
145.04971	5.3
145.08430	3.6
146.06021	8.6
147.09160	4.3
150.05476	3.0
151.11192	46.4
157.12245	24.4
169.12238	54.6
172.07680	2.9
173.07918	3.2
177.05521	3.9
182.08186	3.8
187.13304	97.3
188.07114	6.9
191.08989	5.6
205.14400	34.8
256.85767	3.2
283.06204	4.9
368.17636	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	366.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
54.20501	0.6
55.01870	0.9
55.05516	8.8
56.05032	3.4
57.03445	1.2
58.06608	1.2
59.05018	0.7
60.04530	100.0
61.04876	0.8
67.05509	13.7
68.05032	0.6
69.03445	1.4
69.07074	6.4
70.06594	5.5
71.05006	2.2
71.52168	0.7
72.04530	2.0
72.08158	1.5
74.06088	1.9
76.04032	0.7
79.05499	9.1
80.05023	2.0
81.03436	1.7
81.07064	21.6
82.06612	1.4
83.04980	2.7
83.08621	2.2
84.04510	1.4
84.08161	2.8
85.02931	3.5
85.06549	3.2
86.06085	0.9
86.09704	3.9
90.05559	1.1
91.05491	7.7
93.07055	13.0
94.06597	2.0
95.04973	1.2
95.08617	12.8
96.08158	1.1
96.41568	0.7
97.02901	0.8
97.06534	5.4
97.10184	1.0
98.06065	1.0
99.08097	1.3
102.05553	1.6
105.07030	5.5
106.06586	0.7
106.79542	0.6
107.08606	8.2
107.86236	0.6
108.08112	1.0
109.06508	0.7
109.10173	6.0
111.08097	1.9
116.07092	5.3
117.06985	1.1
119.04951	0.7
119.08579	3.6
120.08131	2.1
121.06544	0.9
121.10149	6.6
123.08075	0.7
123.11736	4.6
124.34651	0.6
130.06548	2.0
131.08594	2.1
133.10162	5.0
135.08041	0.8
135.11670	4.8
136.07626	1.2
144.08076	0.9
145.05028	0.9
145.10152	1.6
147.11734	2.7
149.13269	1.3
151.11200	5.9
159.11726	1.8
161.13306	1.9
169.12274	3.4
172.07544	1.2
183.43387	0.6
186.64507	0.8
187.13335	0.7
197.06512	0.7
203.17870	0.8
217.19557	1.5
241.19427	1.1
258.22134	0.9
276.23285	3.7
277.21619	0.8
294.24329	4.9
312.25354	10.3
330.26431	22.4
348.27444	42.0
349.27930	0.9
366.28525	99.3
367.29132	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
54.60471	1.3
55.01864	3.3
55.05504	3.7
57.03425	1.8
57.07074	1.8
58.06604	89.7
65.03938	1.5
67.05515	8.0
69.03435	100.0
69.07073	15.8
70.06614	1.7
71.04299	1.4
71.04998	5.5
79.05502	16.5
81.03420	10.8
81.07061	96.7
83.04985	3.5
85.02914	10.6
85.06528	1.2
86.09695	2.0
87.00822	3.3
91.05488	12.2
93.07043	17.1
95.01320	1.4
95.04983	9.5
95.08615	30.0
97.02882	3.5
97.06516	3.5
98.91921	1.2
99.04456	3.6
103.05495	1.1
105.07035	13.6
107.04985	4.7
107.08598	14.1
109.02863	3.9
109.06519	9.1
109.10154	3.9
110.62836	1.1
111.04448	3.0
111.08084	6.3
112.08426	3.5
115.05447	1.8
117.07023	4.1
119.08595	8.8
121.06512	5.3
121.10148	8.3
123.08061	5.8
123.11707	2.3
125.09646	3.1
127.03907	2.3
127.07584	1.3
128.06261	1.4
129.07007	1.9
131.08586	8.7
133.06508	3.4
133.10114	3.3
135.04398	1.5
135.08043	2.5
135.11690	3.5
137.05972	2.4
137.09642	1.4
137.13274	10.0
139.11194	3.9
143.08530	3.8
145.10124	4.5
147.08037	5.2
147.11725	10.2
149.09590	1.2
149.13271	5.3
151.07585	5.1
151.11174	4.4
152.11536	3.8
157.10097	2.5
159.08072	4.9
159.11717	6.7
160.07587	30.3
161.09634	3.1
161.13281	3.1
161.99205	1.1
163.07509	1.6
163.11205	3.0
165.12776	3.9
167.07126	1.4
169.12259	4.9
170.12683	6.7
171.08107	2.0
171.13860	1.4
173.09613	3.9
173.13202	1.3
175.11194	2.1
177.09111	3.4
177.12778	3.6
181.12270	1.9
185.13286	1.6
189.09116	2.1
189.12791	1.8
191.10725	3.0
191.14330	1.4
193.12267	2.7
195.13826	3.5
199.14815	1.4
201.04002	1.3
201.12930	1.3
203.14355	2.4
206.08897	1.2
227.14331	2.1
245.15352	7.2
263.16434	10.2
271.12143	1.4
273.13693	1.5
281.10654	1.7
283.05902	1.6
291.06528	1.3
306.17160	1.8
308.14673	2.4
322.12939	6.4
335.09314	1.3
349.16486	22.5
367.07516	2.4
367.11761	3.8
367.18585	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	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01891	1.2
55.05505	3.6
57.03417	2.9
58.06603	13.4
61.02929	1.2
62.18405	1.2
66.94039	1.1
67.05513	14.3
69.03417	5.1
69.07073	61.1
70.06597	1.9
70.81071	2.5
70.81408	1.7
71.05009	9.7
79.05486	4.0
81.03415	3.6
81.07062	26.1
84.08134	1.4
85.02917	15.0
85.06567	2.7
87.34962	1.4
91.05480	3.6
93.07061	10.1
95.04952	3.9
95.08614	37.6
96.04515	1.5
97.02889	4.6
97.06522	1.4
99.04446	4.7
101.13092	1.1
103.22672	1.2
103.66386	1.3
105.07035	3.4
107.08601	12.4
109.02866	1.7
109.06495	2.8
109.10168	77.7
111.08115	2.8
112.65325	1.2
112.88699	1.2
113.06023	9.3
119.08609	1.5
120.08091	1.5
121.10111	1.5
123.11720	36.7
125.51282	1.4
127.03915	4.6
127.07575	1.6
127.11195	6.0
133.10123	5.4
137.05927	1.5
138.05528	3.1
145.04958	4.3
146.05997	1.4
151.11197	37.0
160.07581	4.2
163.06100	3.1
163.07408	1.4
169.12259	100.0
187.13269	3.3
227.87497	1.3
259.13235	1.2
356.05972	1.5
366.15814	1.7
367.18604	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	366.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76014	0.8
55.57774	0.8
63.63132	0.8
67.05505	1.9
69.03455	1.0
69.36692	5.5
69.37122	2.1
70.06583	0.8
72.08137	1.2
79.05522	0.8
81.07053	1.3
86.09716	59.1
91.05450	1.1
93.07034	1.5
93.98748	0.8
95.08637	1.0
97.06509	1.2
98.20763	1.4
103.05485	1.6
107.04925	1.0
111.08154	0.9
120.08120	81.6
128.10725	36.6
128.11673	1.8
131.04927	2.3
149.05960	1.7
156.10228	21.5
166.08662	100.0
215.06773	0.9
247.07852	1.0
283.06049	2.1
303.17117	1.3
321.18130	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	366.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55429	0.6
53.03952	0.7
55.01874	1.0
55.05516	4.6
56.05042	4.6
57.03455	2.0
57.07098	1.1
58.06605	9.5
59.05012	1.4
60.04534	100.0
61.02938	0.9
67.05512	13.6
69.03435	2.0
69.07072	3.6
70.06591	3.1
71.05018	3.4
71.52061	1.0
72.04537	1.5
74.06087	2.3
79.05496	7.6
80.05029	1.3
81.03436	2.3
81.07066	25.5
81.07531	1.3
82.06583	1.7
83.05006	1.6
83.08622	1.2
84.04564	0.8
84.08150	1.1
85.02924	3.7
85.03365	0.6
85.06552	3.5
86.06086	0.8
86.09723	0.9
90.05583	1.6
91.05483	4.5
93.07056	9.7
94.06590	1.6
95.04993	1.7
95.08615	10.2
96.08149	1.0
97.02898	1.2
97.06541	1.9
97.10223	0.7
99.04401	0.7
101.68075	0.6
105.07052	5.4
107.08614	10.5
109.06547	2.1
109.10165	7.6
111.08105	1.9
113.09670	0.6
116.07164	0.6
117.07064	0.8
119.08626	2.4
120.08133	1.2
121.10171	3.1
123.08053	1.2
123.10867	0.8
123.11710	18.6
125.09647	0.9
127.03970	0.9
130.06528	1.7
131.08585	2.1
133.10129	5.9
135.11740	2.8
139.11215	0.7
143.10719	1.1
145.05008	1.1
145.10187	1.6
147.11722	1.5
151.11198	11.3
160.07625	3.7
161.13315	1.2
169.12265	25.5
172.07567	0.7
173.13116	0.8
184.13577	0.6
187.13368	1.3
190.08723	0.8
233.55800	0.7
262.01675	0.8
264.23270	1.0
276.23114	4.0
283.58392	0.6
294.24307	6.3
312.25302	5.5
330.26398	10.4
348.27457	28.0
366.28546	93.8
367.18875	2.2
367.28821	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	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.0
55.01872	1.3
55.05516	1.8
58.06607	5.6
67.05509	7.6
69.03438	14.4
69.07068	21.7
71.05000	6.5
71.37685	1.4
81.07074	10.0
84.08153	2.8
85.02913	5.4
85.06564	2.3
87.04437	1.1
91.05482	2.2
93.07069	7.8
95.04996	1.5
95.08607	2.5
97.02867	1.3
97.06562	1.1
99.04438	2.2
99.08105	1.3
105.07051	2.2
107.08611	9.9
109.06516	2.2
109.10162	73.5
111.08076	5.4
113.06003	4.6
120.08104	1.4
121.10206	1.3
123.11700	13.1
125.09640	63.3
126.09966	1.3
133.10146	5.7
144.10223	3.2
147.04422	2.3
151.11185	18.7
160.07668	1.4
169.12250	100.0
187.13303	52.7
187.15001	2.5
207.11380	2.1
367.18839	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.7
57.03431	2.0
57.07074	1.8
58.06592	3.7
60.04526	2.2
61.02906	1.6
61.35094	0.7
63.85002	1.0
67.05511	10.1
69.03432	4.7
69.07068	4.1
69.29308	4.1
69.29730	2.8
71.04984	3.8
79.05491	1.6
81.03409	1.2
81.06591	1.4
81.07063	27.6
83.08627	1.2
85.02910	10.0
86.09715	6.7
87.05590	1.5
89.25249	0.9
91.05463	1.8
93.07043	9.6
94.78523	0.9
95.04979	2.6
95.08613	57.6
97.02863	2.8
97.06547	1.9
99.04467	8.9
105.07038	1.7
107.08575	3.4
109.06518	2.9
109.10161	18.9
111.08075	1.6
111.18807	0.8
113.06010	7.3
120.08127	6.8
123.11715	46.9
125.09629	1.2
127.03930	2.2
127.07536	1.2
133.10129	7.3
145.04987	1.9
151.11191	44.9
160.07613	1.4
169.12251	100.0
170.12569	1.1
173.12828	8.5
187.13234	1.2
201.12326	2.5
207.11342	2.3
235.10873	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
53.13188	1.0
55.01871	2.2
55.05501	5.6
57.03431	2.6
57.07074	3.4
59.05004	12.2
60.04535	18.5
61.02933	3.5
65.03941	1.8
67.05517	7.7
69.03436	14.1
69.07082	5.7
69.48871	7.6
70.06597	2.0
71.04997	17.3
79.05495	9.4
80.80329	0.9
81.03438	2.3
81.06590	2.1
81.07066	40.1
83.04994	4.0
83.08612	3.7
85.02910	18.0
85.06547	7.7
87.04478	9.1
91.05495	3.7
93.07048	8.5
95.04973	3.7
95.08629	5.8
97.02902	5.5
97.06544	19.6
98.21521	1.2
99.04459	1.6
99.08105	2.4
105.07051	4.6
107.08607	13.2
109.02863	1.7
109.06544	7.5
109.10161	18.9
110.91530	1.0
111.08110	4.5
111.11729	2.9
113.06010	1.5
116.07079	1.5
120.08123	1.6
121.10157	4.1
123.11715	21.6
127.03913	4.0
127.07579	1.5
127.11209	2.0
133.10144	4.7
135.11708	1.2
136.07599	1.7
139.11197	10.3
145.04980	3.7
149.09764	0.9
151.11191	32.6
157.12263	10.0
161.19495	1.1
169.12253	100.0
187.13303	37.1
291.13528	1.0
294.24268	1.3
312.25476	2.3
330.26352	4.5
348.27432	8.3
366.21487	1.6
366.28445	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	366.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
55.01861	1.9
55.05523	13.2
57.03826	1.8
58.06596	4.2
58.52714	1.5
59.03547	1.5
59.23289	1.3
59.73707	1.3
60.04528	13.2
61.02910	2.6
65.03908	1.6
65.06188	1.4
67.05504	6.8
69.03418	6.7
69.07073	3.4
70.06577	1.3
71.05007	20.2
71.26001	3.0
73.02924	1.7
75.61430	1.6
79.05499	17.2
81.03426	2.8
81.07069	100.0
82.55167	1.5
83.04988	24.8
83.08620	2.7
84.08148	1.9
84.75196	1.5
85.02912	17.2
91.05489	10.3
93.07052	36.6
95.04967	7.6
95.08629	5.5
97.02888	5.1
97.06516	4.1
99.08085	4.3
102.99322	1.4
105.07050	11.9
107.08605	18.6
109.02858	2.8
109.06503	4.2
109.10154	11.1
110.30834	1.5
111.08102	2.0
119.04895	1.7
120.05326	1.5
120.08057	2.1
121.10130	5.9
123.08107	1.8
123.11712	19.8
127.03922	6.2
133.10141	18.0
145.04974	7.6
147.04427	1.7
148.04776	3.3
151.11200	19.8
160.07593	3.3
163.06082	1.7
169.12265	15.5
201.08812	1.8
243.12346	5.3
330.26587	1.8
348.27029	5.0
366.28497	5.0
367.18671	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	366.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05524	1.4
56.05031	0.7
57.03445	1.1
58.06603	8.7
59.05001	0.7
60.04531	18.0
60.76037	0.6
61.02941	0.8
64.81084	0.5
67.05510	8.8
69.03432	2.9
69.06738	0.6
69.07069	3.4
69.28471	5.1
70.06580	2.3
71.04997	8.7
71.21548	0.6
72.08141	1.2
74.06074	0.7
79.05493	10.6
80.04969	0.6
81.03427	1.3
81.07064	70.2
83.04981	4.2
83.42413	0.6
84.08164	0.8
85.02906	7.2
85.06528	0.9
86.09700	1.0
88.04041	0.8
89.06031	1.0
90.05526	0.5
91.03971	0.6
91.05473	2.3
93.07053	5.9
95.04965	2.0
95.08628	3.4
97.02894	2.2
97.06530	0.8
99.04482	1.1
105.03426	0.8
105.07047	2.8
107.08617	6.1
107.88356	0.6
109.06505	1.8
109.10138	3.9
111.08092	1.0
115.10374	0.7
117.07017	0.7
121.10153	1.4
123.11716	30.6
127.03932	1.7
133.10127	5.4
135.11700	1.0
139.11188	2.8
145.04973	2.6
149.09579	0.7
151.11208	12.9
160.07597	2.4
163.06015	2.1
169.12256	100.0
170.12614	0.8
187.13306	3.0
254.84721	0.8
261.14850	0.7
276.23120	0.7
295.80917	0.6
312.25446	1.4
330.26517	2.0
348.27493	5.3
366.06955	2.7
366.28519	19.4
367.08206	0.7
367.18527	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
55.01872	7.5
55.05515	3.6
55.63441	1.1
57.03438	5.7
57.88139	1.3
61.02936	5.2
67.05537	1.1
68.99803	1.2
69.03432	34.4
70.06589	1.9
71.05001	6.1
73.02923	6.8
73.80696	0.9
79.05470	1.1
80.05048	1.1
81.03427	24.7
81.07058	2.5
82.53406	1.2
83.08625	1.7
85.02912	100.0
86.09740	1.1
87.00837	43.1
91.03938	2.3
91.05480	2.7
93.07052	1.5
95.08562	1.2
97.02898	33.1
97.06504	1.3
99.04475	14.3
103.03936	1.6
105.01875	69.9
105.07056	1.7
107.04984	1.0
107.08601	1.6
108.04488	2.0
109.02895	25.8
111.08088	1.8
115.03941	1.7
117.01866	3.4
127.03926	69.4
129.01843	2.9
136.06163	1.5
141.09129	1.4
145.04962	33.3
147.02916	1.9
151.07524	1.2
153.12732	1.1
159.02901	12.5
165.01891	1.8
179.87875	1.2
181.06187	1.1
189.03981	2.6
209.11766	4.7
213.03920	3.0
231.05034	22.3
248.07671	2.1
249.06087	8.5
283.05972	8.0
295.11627	6.4
304.18469	1.5
313.12732	1.8
319.16513	1.2
366.21484	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.7
60.04531	21.5
67.05501	1.3
69.03398	0.9
69.07065	0.7
70.02956	1.4
70.06618	0.7
70.29248	2.4
71.04997	1.0
72.04527	0.8
81.07069	6.1
83.08649	0.6
84.08118	0.7
85.02884	1.8
86.09716	70.9
87.05603	14.8
87.10046	1.1
91.05497	1.1
93.07038	1.6
95.08614	8.8
97.02891	0.9
98.21744	0.6
99.04475	1.2
107.08633	0.7
109.10166	4.3
113.06039	0.8
120.08121	26.5
121.02914	0.9
123.11722	8.2
127.03989	0.6
128.10732	9.2
133.10143	1.4
151.11205	6.8
165.01837	3.7
166.08652	15.0
169.12253	17.5
173.12878	100.0
174.13303	0.9
183.02693	0.6
201.12367	32.5
207.11330	2.0
230.15555	0.9
235.10945	0.7
258.17401	0.6
271.06091	1.0
276.50549	0.6
279.17145	1.9
283.06033	17.3
292.19104	1.9
299.31558	0.6
366.23044	1.5
367.08221	2.5
381.53333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01860	0.8
55.05501	2.3
55.79079	0.4
56.05020	0.9
57.03428	1.0
57.07065	0.6
58.06604	0.6
59.04993	1.1
60.04224	1.1
60.04529	21.6
61.02902	0.9
61.31271	0.5
65.03941	0.5
67.05511	6.4
69.03424	2.0
69.07067	3.0
69.29924	3.6
69.30340	1.2
70.06593	5.4
70.37434	0.5
71.04993	8.5
72.08146	2.4
74.06072	0.6
76.43552	0.5
79.05497	9.0
79.42223	0.5
81.07059	63.4
83.04995	3.5
83.08617	0.9
84.04454	0.6
84.08141	2.4
85.02911	4.2
85.06536	1.6
86.09702	1.8
91.05494	1.3
93.07053	3.8
94.06551	0.6
95.04968	1.1
95.08594	4.4
97.02890	1.1
97.06522	1.5
98.21537	1.2
99.08067	1.0
105.07024	1.6
107.08582	2.7
109.06500	0.8
109.10175	4.4
111.08074	1.2
116.07132	1.0
119.08562	0.8
119.49321	0.5
120.08121	1.4
121.02895	1.4
121.06496	0.6
121.10124	1.5
123.11710	20.0
127.03899	0.7
128.07104	1.1
129.10236	1.3
133.10126	2.0
139.11203	0.7
143.10660	0.7
145.04985	1.6
147.11621	0.7
150.07784	0.6
151.11198	9.8
159.09172	0.7
165.01790	0.7
169.12247	100.0
170.12596	1.4
187.13292	7.7
276.23270	1.1
283.06021	4.0
294.24326	1.3
312.25418	2.7
330.26364	4.2
338.16779	0.6
348.27377	9.2
366.28513	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66931	1.0
56.96561	1.2
61.89708	1.2
68.57882	0.9
69.04632	1.1
70.14917	1.3
71.50517	1.2
71.50928	1.0
74.96954	1.0
76.36714	1.0
98.97588	8.2
104.26191	1.1
115.76757	1.0
116.98621	2.5
158.99950	1.2
167.46002	1.1
170.06230	1.2
177.00974	6.3
216.98941	4.7
219.02061	10.3
222.97951	1.8
225.01106	1.2
234.99979	7.3
240.98969	11.9
243.02039	2.6
259.00024	28.6
260.00037	2.2
261.00302	1.5
261.03101	28.4
264.98923	2.2
274.97507	4.4
277.01053	15.6
283.00021	77.4
284.00262	2.7
292.98633	3.0
301.01080	100.0
302.01132	4.7
303.01208	1.9
319.02142	3.2
324.02615	1.9
325.01062	12.5
343.02151	63.8
344.02493	2.2
361.03204	17.0
363.51031	2.0
366.03958	2.7
377.61993	1.4
385.02866	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2687
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
50.78689	0.4
52.98872	0.3
55.05521	1.6
57.07080	10.3
67.05491	1.5
69.07058	1.2
71.52380	0.7
79.05512	1.8
81.07059	2.7
85.06554	5.1
87.00439	0.3
91.05482	1.3
93.07054	2.1
95.04964	0.9
95.08600	1.6
97.06526	0.6
105.07028	1.3
107.08604	2.5
109.06522	3.3
109.10152	0.8
111.08106	0.7
119.08595	2.1
121.10146	1.4
123.08080	3.5
124.08865	1.4
125.05973	0.4
131.08585	0.7
133.10146	1.0
135.08081	2.5
135.11716	0.6
137.05977	1.0
137.09633	0.5
143.08572	0.5
145.10114	1.0
149.09619	0.5
151.07544	3.3
151.11212	0.3
152.08337	5.8
157.10153	0.7
159.11684	0.4
161.09610	0.7
165.09119	9.1
165.12740	0.9
166.09808	0.4
167.08421	0.4
170.10979	0.4
171.11736	0.4
177.09195	0.5
177.12801	0.6
179.10704	1.5
181.12335	0.4
183.11540	0.4
185.13316	0.5
187.14771	0.4
193.12115	0.3
194.11429	0.5
194.13020	3.3
195.13881	0.5
197.13371	0.5
207.13812	1.5
209.13336	0.4
221.13364	0.4
221.15392	0.4
235.16963	0.5
249.18503	0.9
263.20071	5.9
277.21848	0.5
279.19577	0.6
291.19693	0.4
306.25247	0.7
319.26312	1.3
322.85422	0.4
337.27451	0.9
347.25864	22.5
364.56427	0.4
365.26923	100.0
366.27237	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22723	0.5
67.05519	0.7
74.09720	100.0
75.10065	0.8
79.05470	1.2
80.56841	0.5
81.07042	0.7
81.81135	0.5
91.05470	0.8
95.04948	0.6
105.07026	0.8
124.15965	0.6
125.41427	0.6
159.59816	0.6
173.77153	0.5
242.56273	0.6
248.49786	0.5
263.43677	0.6
292.18866	0.9
319.47833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2313
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03940	1.4
54.86758	0.5
55.01871	2.9
55.05506	2.8
56.96558	0.9
57.03445	3.7
57.07106	0.9
61.02921	1.1
64.76649	0.7
65.03968	0.9
67.05516	10.3
69.03438	1.7
69.07063	3.1
69.95055	3.2
79.05505	7.4
81.03421	2.3
81.07069	9.0
83.04980	2.7
83.08610	1.9
85.02916	1.6
85.06553	2.1
91.05497	8.3
93.07063	7.5
95.05007	3.4
95.08629	4.0
97.02910	0.8
97.06530	2.0
98.97565	0.8
105.07029	5.3
107.04940	2.1
107.08617	5.5
107.44211	0.6
109.06524	3.0
109.10152	4.7
109.21802	0.7
111.04427	0.8
111.08113	0.9
113.05999	2.4
117.07024	1.8
119.08587	2.5
121.06562	1.6
121.10143	2.8
123.08115	1.5
123.11709	0.9
129.07050	1.1
131.08575	3.1
133.06471	1.0
133.10147	6.5
135.08078	1.9
135.11703	1.7
143.08585	1.1
145.10179	1.7
147.08057	1.3
147.11662	1.4
149.09654	1.9
151.11192	4.2
157.10156	0.9
159.11702	0.9
161.09621	1.6
171.11632	0.9
175.11186	1.1
177.09071	0.9
203.19797	0.7
245.19125	1.4
253.14336	4.2
255.09204	1.9
263.20117	1.2
267.09036	1.1
273.18463	4.1
284.12787	1.7
285.10129	1.4
285.79303	0.8
291.19720	5.3
343.91034	0.8
365.23044	100.0
366.23627	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37210	2.0
54.55659	2.6
55.05503	8.7
57.07086	4.5
59.04983	2.7
67.05517	25.4
69.03426	3.8
69.07085	10.9
79.05518	12.6
81.07056	20.7
83.08609	3.6
85.06548	4.6
91.05484	24.4
93.07037	24.3
95.04975	33.7
95.08617	32.4
97.06547	3.6
105.07040	33.7
107.08614	23.5
109.06536	7.8
109.10165	10.1
115.05460	4.3
117.07028	10.6
119.08594	32.8
121.06536	2.7
121.10177	11.9
123.04416	4.3
123.08086	5.7
128.06235	5.3
129.07021	12.5
130.07822	3.4
131.08571	20.0
133.10135	16.9
135.08086	10.1
135.11700	7.0
137.05998	4.3
141.06998	6.2
142.07739	10.9
143.08568	20.4
144.09363	9.2
145.10132	23.9
147.08043	6.5
147.11734	6.6
149.09682	3.0
153.06999	2.6
155.08542	10.7
156.09338	10.6
157.10136	31.3
158.10872	4.3
159.08130	4.5
159.11703	27.4
161.09660	4.4
161.13248	7.7
165.07011	4.8
167.08578	9.8
168.09309	3.6
169.10161	17.5
170.10915	12.0
171.11671	19.6
172.08899	5.1
172.12498	3.0
173.09674	9.9
173.13310	7.9
175.11232	6.3
177.12851	2.9
179.08604	8.5
180.09367	3.0
181.10149	9.3
182.10898	6.6
183.11702	23.5
185.05901	2.8
185.09727	3.7
185.13289	21.9
187.11189	12.5
187.14883	14.4
191.72673	2.2
193.10165	10.1
194.10895	7.0
195.11696	24.8
196.12422	6.5
197.13255	17.6
199.14861	8.0
201.12781	4.1
203.14397	2.6
205.10208	3.4
205.15939	8.3
206.10944	7.1
207.11681	12.0
208.12506	11.1
209.13251	22.4
210.14009	5.5
211.11223	3.1
211.14854	5.8
213.12825	11.1
213.16472	2.8
219.11667	9.1
220.12466	4.9
221.13277	14.7
222.14064	5.3
223.14854	13.8
225.12820	3.7
225.16403	4.7
227.14278	4.2
229.10115	2.6
233.13284	7.2
234.14043	6.1
235.11205	2.6
235.14833	10.0
236.15630	6.2
237.16423	13.1
238.17267	5.5
239.14326	4.3
239.18016	3.6
241.16003	5.5
245.13219	3.1
247.14938	4.9
249.16469	10.3
251.17928	12.1
255.17511	4.1
256.18063	3.1
261.16388	3.0
263.07089	3.2
263.17969	7.6
265.15875	5.8
265.19574	4.9
267.17429	3.6
269.19092	3.8
273.16339	4.9
275.07108	3.0
277.08615	3.8
277.16058	3.8
277.19498	2.9
281.19049	7.5
289.19440	3.6
291.17429	7.1
309.11432	3.7
319.24115	3.0
329.22519	4.5
332.21445	2.5
347.23627	33.3
365.10428	5.0
365.17603	5.6
365.24783	100.0
366.25061	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03942	2.2
55.01877	7.4
55.05516	28.3
57.03442	9.7
60.65634	1.3
61.02909	1.3
65.03962	1.3
67.05510	33.9
69.03426	12.0
69.07074	40.9
71.04999	1.9
71.52374	1.8
75.09984	1.1
79.05500	26.2
79.78323	1.1
81.03429	5.9
81.07059	21.9
83.05001	6.2
83.08629	10.1
85.06495	1.4
91.05491	17.2
91.06036	2.0
93.07051	18.5
95.04990	9.2
95.08615	12.1
97.02902	17.2
97.06519	4.8
97.10176	17.3
105.07027	11.3
107.04956	7.8
107.08599	16.5
109.06526	1.9
109.10153	11.7
111.08065	3.0
115.05511	1.4
116.98635	1.3
117.06998	6.0
119.03379	1.2
119.08580	12.2
121.06531	1.6
121.10158	4.5
123.08075	3.9
125.09627	12.6
129.07024	3.4
131.08578	6.0
133.06441	1.6
133.10162	5.4
135.08055	3.2
135.11720	3.0
137.09633	3.7
138.74693	1.1
143.08594	3.4
145.10126	6.9
147.08076	4.1
147.11703	3.3
149.09677	2.1
149.13277	1.8
153.09105	1.5
157.10098	2.0
159.11723	2.5
161.09630	2.7
161.13210	1.5
163.11140	1.8
165.09151	2.8
169.10135	1.8
171.10243	1.2
173.11838	1.9
175.11143	1.6
188.76764	1.1
189.11241	8.4
191.10910	1.3
195.13869	3.1
204.71996	1.1
205.12256	1.9
223.13306	31.4
245.18983	1.8
255.17418	1.8
266.34323	1.1
273.18515	14.8
284.12747	4.2
285.10184	1.4
291.19562	100.0
292.20117	1.3
304.67746	1.2
347.22253	2.2
365.15536	3.4
365.23181	87.0
366.23358	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	365.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01888	7.2
55.05515	28.0
56.96569	8.1
57.03447	12.3
57.07086	1.7
59.04992	1.6
61.02918	2.3
65.03934	1.6
67.05508	38.5
69.03435	11.6
69.07073	42.8
71.05000	2.4
71.52402	1.5
71.52802	1.6
73.02924	2.1
79.05495	37.0
80.87426	1.5
81.03408	6.8
81.07066	32.4
83.04986	7.2
83.08624	12.0
85.02904	3.0
91.05491	25.7
93.07050	25.4
95.04971	9.4
95.08600	16.3
97.02908	17.5
97.06541	6.2
97.10183	16.9
103.05465	1.5
105.07043	18.6
107.04967	9.9
107.08595	19.3
109.06527	3.7
109.10164	13.3
111.04460	2.1
111.08133	2.1
117.07014	7.8
119.08590	12.7
121.06512	5.8
121.10166	7.0
123.08087	5.5
125.09639	13.9
129.07025	3.6
131.08575	8.9
133.06483	3.7
133.10126	12.7
135.08051	7.7
135.11671	4.7
137.09647	3.7
143.08545	4.4
145.06537	1.5
145.10136	6.5
147.08076	5.7
147.11710	4.1
149.09624	3.4
149.13301	2.0
151.07603	2.5
151.11224	5.2
157.10109	3.0
159.07996	2.3
159.11737	4.4
161.09645	4.7
161.13350	1.6
163.11206	2.9
165.09152	3.1
169.10143	1.7
171.11729	1.8
175.11122	3.2
177.12819	2.0
187.07573	2.4
189.11224	6.8
189.12733	2.0
191.66666	1.4
195.13742	3.0
203.05478	1.4
205.12267	3.3
217.07462	2.4
223.13312	27.8
245.19022	4.5
253.14101	1.8
255.09129	2.5
269.10590	8.2
273.10284	1.9
273.18491	20.2
283.71042	1.7
284.13547	4.6
285.10129	2.3
287.11768	2.4
291.19550	100.0
292.11954	1.7
347.22104	2.9
365.10373	2.3
365.16983	9.9
365.23206	58.1
374.77173	1.4
383.17374	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40608	1.7
53.03953	3.5
55.01875	7.4
55.05523	9.3
56.96562	4.1
57.03207	2.1
57.03446	32.2
57.07080	2.2
60.85636	1.7
65.03929	2.5
67.05177	3.4
67.05511	42.6
69.03435	6.3
69.07072	14.0
69.99801	4.2
70.00196	4.3
71.04979	5.7
73.02919	1.9
79.05503	26.4
81.03417	6.8
81.07076	21.9
83.04980	4.7
83.08626	4.1
85.02888	3.8
85.06551	27.7
91.05508	18.7
93.07050	19.8
95.04971	42.5
95.08618	14.1
97.02921	4.3
97.06547	3.8
98.97608	3.1
103.05511	2.3
105.07054	15.2
107.04962	6.4
107.08606	15.5
109.06528	35.4
109.10188	5.4
111.08105	2.3
113.05241	4.1
113.06017	70.6
117.07024	7.1
119.08600	12.5
120.65305	2.2
121.06516	4.8
121.10139	8.5
123.08063	5.5
125.09605	3.1
129.07014	4.2
131.08594	11.6
133.06512	2.6
133.10167	6.3
135.08072	17.7
135.11691	6.3
143.08575	6.3
145.10130	8.2
147.08063	3.0
147.11702	2.7
149.09613	4.0
149.13295	3.7
156.17314	1.8
157.10136	5.6
159.08066	3.0
159.11684	7.5
161.09616	4.6
163.11200	3.0
165.09154	2.0
173.13298	2.8
175.11243	2.6
177.12679	2.6
195.13734	2.2
198.96912	3.0
199.14810	3.0
217.15831	10.2
227.17989	2.6
233.15294	3.2
240.51579	2.1
245.19122	2.7
247.09952	2.0
263.12552	3.2
267.09329	3.9
273.18530	19.7
277.21674	5.7
285.10013	5.1
291.19592	42.7
353.41656	2.4
365.10376	4.8
365.23050	100.0
366.23703	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2305
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
51.80369	0.5
52.98577	0.5
55.01867	1.2
55.05505	2.1
56.96569	0.6
57.03427	1.7
57.26799	0.5
61.40134	0.5
61.95819	0.5
67.05512	5.4
68.99574	0.5
69.03439	1.0
69.07069	1.5
70.06533	0.5
71.04960	0.6
71.52980	0.6
79.05496	3.8
81.03420	0.9
81.07066	6.0
83.04983	1.2
83.08623	1.2
91.05481	4.4
93.07063	4.5
95.04968	1.4
95.08592	1.6
97.02893	0.5
97.06536	0.9
99.04501	0.5
105.07028	2.9
107.04978	0.8
107.08622	3.6
109.06532	1.5
109.10169	2.5
113.05978	0.6
117.07029	1.0
119.08579	1.4
121.06548	1.1
121.10144	1.2
123.11664	0.6
125.11398	0.5
129.06958	0.6
131.08595	1.1
133.06502	0.7
133.10150	4.0
135.08025	0.7
135.11731	0.8
137.09613	0.7
143.08577	0.9
147.08031	0.7
149.09647	1.2
151.11157	2.5
153.12790	0.5
157.10208	0.6
161.09665	0.9
195.10011	0.7
207.23801	0.6
216.76390	0.6
230.17340	0.5
231.10858	0.7
250.22020	0.5
253.14438	1.8
267.14349	1.1
273.18423	2.5
284.13013	0.5
285.10349	0.7
291.19608	2.6
302.41641	0.5
347.22244	0.7
365.23041	100.0
366.23343	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.232
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03946	2.1
55.01865	3.3
55.05514	15.9
57.03448	6.3
65.03913	1.0
67.05509	18.2
69.03436	9.0
69.07073	24.5
69.22382	7.2
71.04993	0.9
78.74700	0.7
79.05501	17.1
81.03407	2.7
81.07063	15.0
83.04981	3.1
83.08617	6.9
85.06537	1.1
91.05485	9.8
93.07056	10.6
95.04993	4.5
95.08617	8.8
97.02903	9.4
97.06525	2.3
97.10186	10.7
99.80923	0.8
105.07027	6.3
107.04964	4.0
107.08604	9.4
109.06525	2.2
109.10175	6.9
111.08083	2.0
112.04572	0.7
115.05391	1.0
117.07021	5.3
119.08606	7.7
121.06528	1.6
121.10165	4.1
123.08047	2.0
125.09638	7.7
125.49319	0.7
129.07014	1.5
131.08588	5.1
133.06491	1.6
133.10152	4.0
135.08087	2.8
135.11705	1.8
137.09621	2.5
141.07062	0.8
143.08568	1.9
145.10127	3.2
147.08060	2.5
147.11691	1.0
149.09550	1.6
149.13260	1.9
157.10156	2.3
159.08026	0.8
159.11694	3.3
161.09657	2.3
163.11192	0.9
164.50449	0.8
165.09151	1.3
167.13351	0.8
169.10023	0.9
171.11662	1.1
175.11192	2.5
177.12823	0.9
183.11595	0.8
189.11259	5.4
195.13805	1.1
205.12227	1.7
223.13315	19.7
227.12851	1.0
231.10776	1.5
245.18892	1.9
255.17522	1.2
267.09070	0.8
273.18509	9.5
284.12729	1.2
285.10040	1.2
291.19568	64.1
292.19955	1.2
333.19348	0.9
347.22281	1.2
365.23129	100.0
366.23257	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.05507	1.6
56.96569	5.6
57.03427	0.7
59.04994	1.5
61.02932	3.4
64.11195	0.5
67.05504	1.0
69.03431	1.5
69.71278	1.2
69.71668	1.6
70.06597	19.4
71.04989	4.2
72.08140	1.8
79.05489	1.9
81.03419	0.9
81.04540	0.8
81.07066	8.1
82.05300	3.2
83.04980	0.6
83.06111	2.1
84.04502	0.8
84.08147	2.3
84.95998	0.6
85.02912	1.3
86.09691	2.1
87.08101	0.6
93.04539	1.2
95.06085	2.1
97.02895	0.7
98.21443	1.1
98.97591	6.1
99.08096	0.7
105.07039	0.7
107.08571	0.9
110.07171	40.8
110.97569	2.5
112.08733	0.6
112.99165	0.6
116.98631	1.4
118.06503	0.6
120.05558	1.0
120.08096	1.3
121.03980	1.7
121.07645	1.3
121.10126	0.7
123.05557	0.9
128.98604	1.8
129.10204	0.8
131.05998	0.5
132.05562	1.3
133.07570	0.8
134.99644	0.6
137.07071	1.0
138.06627	2.2
143.00151	0.8
146.09528	0.6
146.99677	0.9
147.05510	1.3
148.05066	2.1
149.07170	0.7
149.09607	0.8
153.06578	0.8
158.99652	0.6
159.05545	1.0
161.01193	1.0
161.10791	0.7
162.10294	8.3
162.11530	1.1
163.12306	7.2
166.06163	4.2
167.10709	0.8
170.99673	0.6
172.06306	1.0
173.07181	0.7
173.10764	0.8
175.12317	1.5
177.00711	0.9
186.07976	0.6
190.13426	4.5
191.00055	0.6
191.11758	0.7
192.14977	1.7
195.03308	0.9
201.10242	21.5
202.13472	1.7
203.11774	0.9
207.12482	3.5
208.14439	2.6
213.04390	0.8
217.10898	3.0
218.12917	5.7
219.01807	2.3
221.01224	0.8
224.16440	4.1
235.11911	29.2
237.02835	2.6
239.02225	3.6
242.16640	0.9
245.10382	1.7
246.12437	1.5
257.03320	1.6
259.19241	0.8
264.13364	1.0
275.73532	0.5
287.18634	6.4
289.16690	0.9
315.14337	0.9
315.18185	45.3
333.19250	18.8
365.05441	14.5
365.21860	100.0
366.22235	2.3
378.84988	0.6
383.06436	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1597
Annotation	7-Epi-Zeaenol
Peak:m/z	Relative Intensity
53.03946	4.1
55.01876	5.3
55.05522	6.8
57.03434	4.0
58.06599	1.1
61.02913	2.2
62.76580	1.0
65.03946	1.7
67.05501	10.4
68.99796	4.1
69.03436	63.0
69.07082	5.8
70.06616	1.5
70.10983	4.4
71.01370	1.0
71.05003	9.5
71.05385	1.4
73.02901	1.4
77.03945	1.6
79.05493	17.1
81.03424	27.1
81.07060	29.0
83.04988	7.4
83.08649	0.9
85.02510	1.2
85.02922	13.4
86.09685	1.1
87.00820	9.1
87.04490	1.8
91.05482	29.0
93.07048	82.5
95.04970	12.6
95.08614	14.7
97.02894	10.2
97.06550	3.9
99.04453	3.2
101.66027	1.0
103.05468	2.9
105.01865	1.3
105.03421	0.9
105.04452	1.4
105.07037	52.8
107.04965	7.5
107.08600	100.0
109.02882	3.6
109.06535	8.7
109.10155	4.4
111.04465	7.2
111.08142	1.3
113.06004	0.9
113.68266	0.9
115.03938	2.8
115.05502	2.9
117.01847	1.4
117.07011	12.3
119.04936	4.2
119.06096	1.7
119.08591	27.5
121.06516	12.4
121.10155	7.8
123.04423	3.0
123.08082	13.0
123.11751	2.5
124.80342	1.1
125.06039	1.8
127.03919	5.5
128.06238	3.0
129.01842	2.3
129.07008	7.6
130.07800	3.0
131.04964	1.6
131.08571	15.8
133.06503	6.1
133.10146	25.3
135.04462	2.1
135.08069	11.6
135.11696	60.9
136.12006	1.1
137.06021	3.4
137.09595	1.3
137.13242	1.0
141.06993	4.1
142.07774	6.7
143.08589	11.1
144.09351	1.5
145.06483	5.4
145.10135	30.9
147.04362	2.1
147.08058	6.5
147.11699	26.0
149.06001	2.7
149.09637	5.6
149.13332	2.0
151.07532	3.3
151.11259	3.2
153.05467	3.0
154.07802	1.4
155.08583	6.7
156.09361	2.1
157.06548	1.3
157.10138	14.3
159.02899	2.6
159.08070	6.8
159.11717	11.3
161.09624	7.6
161.13286	3.7
163.07542	2.1
163.11197	42.6
165.06973	1.5
165.12743	10.7
167.08553	2.8
167.10655	1.2
168.09393	1.8
169.10141	4.8
171.02812	1.2
171.07971	1.9
171.11731	5.7
173.09634	7.3
173.13263	4.4
175.07596	1.4
175.11201	19.7
177.09119	1.3
177.12743	4.7
179.10710	1.5
181.10115	1.7
182.10883	1.7
183.08070	2.9
183.11700	4.8
185.09654	4.4
185.13371	1.3
187.07494	2.4
187.11118	5.1
187.14851	1.8
189.03983	1.5
189.09119	1.3
189.12775	10.0
191.10712	1.6
191.14212	1.4
192.09358	1.2
193.12247	19.8
197.09654	1.5
197.13243	5.5
199.11266	2.8
201.03973	1.7
201.09122	4.1
201.12758	6.9
203.10695	3.0
205.12302	3.9
207.11798	1.8
213.12848	1.9
215.14316	11.7
217.12233	3.4
219.13847	4.3
225.12779	7.3
231.13925	2.2
233.15326	2.7
243.13820	36.7
261.14880	88.7
262.15207	1.5
279.15936	3.7
321.16837	6.9
329.13699	1.9
332.10837	1.1
347.14914	60.8
348.15244	1.0
365.15988	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	365.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92490	2.3
51.80944	2.5
53.03944	8.8
55.01867	10.7
55.05508	12.2
56.89451	2.5
57.03441	4.2
57.07080	2.9
59.05001	2.5
60.94344	2.5
61.02928	7.0
63.86343	2.0
65.03946	4.1
66.05447	2.1
67.05533	11.7
68.99791	8.2
69.03438	100.0
69.07061	10.9
70.21408	9.3
71.05003	34.5
76.02222	2.2
77.03953	2.8
79.05500	27.4
81.02982	3.6
81.03432	39.3
81.07068	28.3
83.01321	2.5
83.04969	9.8
85.02908	21.1
87.00458	2.3
87.00845	23.1
91.05491	47.9
93.07056	54.8
95.04972	18.1
95.08614	15.5
97.02905	37.7
97.06536	5.3
97.10225	2.7
99.04440	6.7
99.08087	4.3
103.05496	3.9
105.01898	3.1
105.07042	67.5
107.04979	32.9
107.08615	43.1
109.02891	4.9
109.06537	21.5
109.10164	11.4
111.04439	6.6
111.08106	2.8
115.03950	13.1
115.05479	8.2
116.06287	4.4
117.01892	6.1
117.07030	28.7
119.04931	11.7
119.05889	3.6
119.07805	4.0
119.08601	49.0
121.06541	19.5
121.10159	20.9
123.04415	11.7
123.08083	17.8
123.11698	6.6
125.09644	5.3
127.03933	6.2
127.07571	3.1
128.06252	9.1
129.01846	4.3
129.07018	17.3
130.07759	6.7
131.04932	5.0
131.08582	41.3
133.06496	14.0
133.10152	25.5
135.04411	11.0
135.08064	18.4
135.11700	22.0
137.06003	6.5
137.09651	11.5
141.07030	4.0
142.07788	6.0
143.08606	19.7
144.09309	3.3
145.06493	13.1
145.10144	57.4
147.08072	23.5
147.11700	20.1
149.06027	5.5
149.09663	14.7
149.13225	3.6
151.07542	5.5
151.11189	10.7
153.06964	3.0
153.09097	5.8
155.08575	17.3
156.09383	4.9
157.06490	10.2
157.10118	14.6
158.07285	5.1
159.02908	14.7
159.08083	15.7
159.11700	26.9
161.05963	2.7
161.09668	14.7
161.13254	7.2
163.07574	12.6
163.11211	15.2
165.12761	7.9
167.08524	3.5
168.09332	2.7
169.10196	6.0
171.08049	13.7
171.11714	8.9
172.08919	5.6
173.09656	49.7
173.13304	6.7
174.10335	3.0
175.07602	15.2
175.11188	21.6
177.09129	7.7
177.12759	24.4
179.10703	3.4
179.14398	5.0
182.10924	3.0
183.08171	4.1
183.11723	3.5
185.09625	3.7
187.07591	7.0
187.11183	20.8
187.14838	4.0
189.09041	11.9
189.12741	21.9
191.07014	5.3
191.10692	15.5
193.12276	8.0
197.13289	16.5
199.11243	5.5
200.11928	3.2
201.09200	5.8
201.12801	11.6
203.10706	4.0
205.12225	19.7
207.13802	5.1
209.08070	2.8
209.52693	2.9
210.10487	2.8
213.12759	4.7
215.14354	23.1
217.12332	4.4
219.13750	5.6
225.12823	11.5
231.13844	3.5
233.15369	19.5
235.13374	2.9
243.13843	64.9
261.14880	89.0
277.10806	3.7
279.15976	10.2
303.17783	8.8
321.16983	8.0
329.13919	3.9
347.14905	41.8
354.70462	2.7
365.16037	74.7
365.20856	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	365.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.9
55.01874	14.7
55.05515	17.6
57.03432	5.9
58.06604	2.1
58.14374	2.0
61.02918	4.3
64.77564	1.7
65.03957	2.1
67.05524	13.7
68.99795	8.5
69.03434	100.0
69.07073	11.9
71.01350	2.0
71.05003	26.0
73.02926	2.8
79.05497	22.4
81.03421	35.1
81.07062	26.3
83.01351	4.7
83.04985	8.2
85.02920	19.1
86.85593	2.0
87.00836	24.8
91.05483	46.6
91.06024	3.4
93.07053	48.4
95.01331	4.3
95.04983	17.5
95.08618	13.2
97.02898	29.5
97.06572	2.1
97.10198	1.9
98.20736	5.3
99.04476	4.8
99.08098	3.6
103.05496	4.2
105.01871	3.2
105.03412	2.0
105.07038	54.1
107.04966	43.6
107.08604	45.3
109.02851	5.8
109.06527	18.0
109.10136	14.0
111.04444	6.4
111.05117	2.1
111.08099	3.9
113.06019	2.4
115.03932	15.8
115.05446	11.5
116.06260	3.2
117.01877	4.0
117.07037	24.1
119.04963	16.7
119.08598	34.4
119.09383	3.5
121.06498	28.8
121.10147	19.0
123.04465	12.3
123.08070	14.7
123.11723	4.8
125.06017	2.5
125.09632	2.4
128.06256	7.8
129.01883	3.4
129.07024	12.1
130.07811	7.8
131.04971	4.7
131.08595	27.6
133.06497	12.9
133.10133	25.8
134.07323	2.0
135.04431	15.6
135.08069	18.6
135.11725	17.7
137.06013	6.6
137.09633	5.3
137.13306	2.9
139.03911	3.0
141.06989	4.1
142.07787	8.0
143.08582	18.5
144.09393	3.1
145.06508	14.1
145.10127	40.6
146.07248	2.7
147.08061	24.1
147.11696	18.7
149.05965	6.3
149.09651	13.9
149.13264	3.8
151.03900	2.6
151.07600	2.8
151.11177	13.9
153.06981	2.6
153.09125	7.5
155.08540	11.0
156.09410	5.3
157.06534	7.6
157.10172	11.0
158.07336	3.9
159.02946	12.8
159.08083	15.9
159.11693	20.5
160.07565	2.4
160.08856	4.2
161.05974	3.4
161.09579	12.0
161.13298	5.3
163.07556	27.4
163.11205	13.5
165.12750	9.2
167.07132	3.3
167.08636	5.4
168.09341	2.5
169.10158	4.1
171.08047	17.6
171.11751	7.4
173.05922	2.1
173.09636	38.9
173.13326	6.1
175.07559	13.1
175.11217	20.2
177.09140	8.2
177.12741	25.5
179.10796	4.0
182.10950	3.1
183.08034	3.3
183.11766	4.2
185.09666	4.4
187.07576	3.7
187.11166	15.4
187.14841	2.8
189.09128	12.6
189.12761	12.8
190.13531	2.4
191.07063	5.5
191.10709	13.1
191.14339	3.9
193.12326	9.0
196.08984	2.5
197.13269	9.3
199.11093	4.6
200.12071	2.3
201.03891	3.7
201.09143	4.6
201.12798	12.4
203.07155	2.1
205.08617	4.1
205.10626	3.2
205.12299	23.8
207.10153	3.8
207.13771	2.4
210.10452	2.9
213.12871	2.5
215.14351	20.1
217.12262	3.3
219.13832	6.7
225.12849	7.4
231.13800	3.7
233.11810	2.3
233.15363	19.8
243.13838	55.3
261.14880	96.3
279.15964	9.0
293.10318	3.3
303.18326	9.1
321.16910	10.0
329.13937	3.6
337.16479	2.6
347.14935	55.2
365.16043	66.6
365.21503	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	365.1599
Annotation	zeaenol
Peak:m/z	Relative Intensity
53.03942	4.1
55.01864	4.9
55.05508	4.6
56.66814	1.4
57.03436	2.1
57.07075	1.5
58.55576	1.3
61.02917	2.7
63.94809	1.3
65.03948	3.3
67.05518	6.6
68.99786	4.5
69.03442	54.2
69.07068	2.3
69.46626	2.3
69.47035	8.3
71.05013	7.9
73.02896	1.8
79.05500	13.2
81.03432	22.7
81.07069	24.6
83.04989	6.6
85.02913	11.2
85.06519	1.8
87.00843	10.7
91.05492	27.3
93.07054	73.6
95.04994	10.7
95.08626	13.1
97.02881	8.7
97.06529	2.6
99.04481	2.7
103.05421	2.4
105.07042	56.6
107.04988	7.3
107.08613	100.0
109.02869	4.8
109.06527	8.2
109.10136	4.7
111.04449	5.3
113.05997	1.7
115.03987	1.6
117.07027	10.4
119.04941	4.1
119.06129	1.6
119.08598	28.4
121.06544	11.8
121.10146	9.3
123.04438	2.7
123.08064	11.0
123.11716	2.6
124.36206	1.4
125.06001	2.1
126.23862	1.3
127.03893	7.0
128.06235	4.4
129.01872	3.3
129.07033	7.8
130.07820	2.5
131.08600	16.9
133.06493	5.5
133.10143	22.6
134.98006	1.2
135.04424	3.0
135.08090	9.2
135.10699	2.9
135.11714	57.5
136.12048	2.0
137.05919	1.8
137.56400	1.2
138.70891	1.4
141.06992	3.0
142.07782	6.4
143.08586	8.8
145.06487	2.8
145.10144	30.0
147.08067	8.3
147.11714	26.4
149.05904	1.5
149.09627	6.0
149.13315	2.5
151.07542	2.1
151.11131	1.7
151.99948	1.3
153.05492	1.8
154.07799	2.0
155.08531	7.2
156.09335	2.6
157.10133	13.8
159.02847	2.2
159.08057	5.5
159.11703	11.7
161.05899	1.5
161.09647	6.6
161.13335	1.7
163.07585	2.6
163.11208	43.6
165.09166	2.2
165.12746	9.6
167.08572	2.8
169.10149	4.2
169.40642	1.2
171.08017	1.8
171.11736	3.8
173.06155	1.4
173.09669	7.1
173.13289	4.8
175.07619	1.9
175.11212	15.3
177.09047	3.1
177.12773	3.9
179.10719	1.6
182.10898	1.6
183.08109	2.2
183.11710	3.7
185.09669	3.5
187.11220	6.3
187.15022	1.6
189.03981	2.4
189.12723	10.1
193.12236	16.7
197.13287	5.9
199.11189	2.9
201.09126	3.4
201.12799	4.5
203.10773	2.1
205.12280	3.7
207.11772	1.8
215.14336	13.8
217.12376	1.7
219.13863	3.5
225.12752	6.7
233.15344	4.9
243.13826	34.4
243.16193	2.9
261.14893	81.3
262.15091	1.6
279.15930	2.8
321.17014	6.1
329.13828	3.3
347.14932	54.6
348.15564	1.9
365.16022	46.4
365.20673	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	365.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72483	0.6
55.01864	0.6
55.05507	0.7
60.04533	1.1
64.66720	0.6
67.05509	0.8
69.03420	0.8
70.06594	1.0
70.68739	1.7
72.08153	1.5
79.05466	0.8
84.08147	1.1
91.05534	0.6
93.07025	0.9
94.54135	0.6
95.04967	0.6
96.04490	0.8
97.87557	0.6
98.06086	0.8
105.07085	0.6
120.04488	0.9
120.08141	0.9
122.06015	1.7
130.28078	0.6
131.08562	0.7
138.05496	1.8
139.06332	0.5
140.07071	2.1
144.10271	1.1
148.03963	1.4
148.07590	3.0
160.07597	0.9
166.04987	3.2
168.06622	1.5
170.09723	0.7
171.09215	1.3
172.07611	2.7
174.09132	2.4
175.08734	4.7
176.07104	6.2
176.09494	1.3
178.08720	0.9
184.07635	0.7
185.07202	0.8
186.05508	1.1
189.06627	0.7
189.10358	3.0
190.08632	1.9
196.07664	1.4
198.07619	1.1
199.08743	5.9
200.07037	3.3
202.08664	2.1
203.08192	15.9
204.06444	1.2
207.11342	0.8
213.10245	3.7
214.08647	2.5
216.10297	1.6
217.09761	14.1
218.10381	0.8
224.07100	1.1
227.08191	10.9
228.06544	2.1
229.09766	2.4
231.11397	1.8
235.10774	3.2
241.09775	6.4
242.08136	5.3
242.10213	0.8
243.11374	0.9
244.09680	0.7
245.09258	42.4
246.07506	1.0
247.07153	0.9
247.10803	2.0
249.08904	0.8
250.07104	0.8
259.10782	8.8
263.10318	24.1
269.09174	3.5
270.07654	1.4
273.08768	3.8
277.11890	1.9
287.10306	20.3
289.11865	0.9
291.09839	5.7
297.08997	0.9
305.11349	65.6
306.11737	1.3
315.09802	2.4
323.12402	16.8
333.10837	11.5
347.12317	1.6
365.13458	100.0
366.13620	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.5
56.96570	12.2
57.03452	0.8
69.03432	1.4
69.43980	3.6
70.98136	0.9
71.95274	1.0
72.96064	0.7
73.02897	1.1
81.03390	0.5
82.99859	0.8
84.08164	1.0
84.96043	1.3
85.02916	2.3
97.02892	1.4
98.20789	1.1
98.97591	17.4
98.98209	1.0
100.99180	1.8
101.00898	7.8
102.96873	1.4
110.97565	4.8
112.99094	0.6
113.00896	1.9
115.00704	0.7
116.98638	7.0
119.01930	8.8
120.97958	0.5
121.01653	0.8
122.01408	1.3
122.51487	0.6
124.95482	3.1
124.99146	1.8
127.00821	0.6
127.02493	1.4
127.03977	0.7
128.98613	6.7
131.00266	0.6
131.01920	5.0
133.01707	1.0
134.99728	1.5
137.01904	1.6
142.96582	3.0
143.00180	3.7
143.01907	7.6
144.98146	0.7
145.03464	5.0
146.99649	3.7
147.03192	0.6
149.02991	1.0
152.02443	0.9
152.95026	0.7
155.01888	5.3
156.98096	0.6
157.03477	3.4
158.99698	1.2
160.97598	1.2
161.01317	1.5
161.03014	8.7
162.99098	1.0
165.00691	1.4
167.01917	2.9
169.03539	2.8
170.96039	3.6
170.99744	2.8
171.01054	0.6
171.05061	1.8
172.97647	1.9
173.02974	8.6
174.99144	3.6
177.00774	1.8
177.02402	0.6
179.01991	1.1
180.99995	0.6
184.97633	4.6
185.01344	0.6
185.02966	10.3
185.04303	17.3
187.04565	3.0
188.97113	7.0
189.00696	4.6
190.98697	2.0
191.02425	0.6
191.04106	0.7
193.00180	2.6
193.03561	1.1
193.53777	0.7
197.02989	6.0
201.00708	0.9
202.04150	1.2
202.54283	1.5
202.98683	5.8
203.05348	42.1
203.54150	0.6
205.00308	0.8
206.98215	1.8
207.01761	4.1
208.99751	1.4
209.03049	0.9
211.04791	0.6
212.97176	2.3
215.03998	3.4
217.00092	2.7
217.05612	0.7
219.01848	1.6
220.99680	1.8
221.05058	1.1
222.95024	0.6
224.04602	0.6
227.03969	2.8
230.98151	8.7
231.01804	1.3
232.99734	0.7
233.05228	0.7
235.01268	2.1
237.02907	2.2
242.98206	1.3
244.99733	4.0
245.05084	28.6
247.01221	0.8
248.99156	2.6
249.02876	2.2
255.04016	1.0
257.05051	1.2
260.99289	0.8
263.00754	7.8
263.06174	5.4
265.05945	0.6
267.04083	2.7
275.00894	1.7
275.06238	3.4
277.02209	0.7
279.65869	0.6
283.57010	1.4
285.04932	1.8
303.04065	0.6
305.01959	1.9
305.07306	2.7
321.05341	0.8
323.08368	1.1
333.01422	1.6
347.03040	3.9
347.08368	0.7
365.10654	100.0
366.10980	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08801	0.5
56.96299	0.8
56.96568	12.3
57.03436	1.0
59.44138	0.5
61.02930	0.8
65.63773	0.6
69.03435	1.0
70.06599	3.4
70.98128	1.1
71.95257	1.1
72.96058	1.3
73.02923	0.8
74.97611	0.6
81.03392	0.6
82.99850	1.6
84.08152	7.7
84.96048	1.9
85.02921	2.5
87.04433	0.6
88.99166	0.7
92.01209	0.8
94.06566	1.7
97.02894	2.8
98.21626	1.1
98.97593	35.6
100.99179	0.6
101.00890	7.9
102.96902	0.7
110.97587	10.0
112.99148	0.8
113.00887	3.0
116.07132	4.1
116.98629	10.4
119.01924	8.1
121.01548	1.0
121.65356	0.5
122.01395	2.0
123.57703	0.6
124.00745	2.0
124.95490	7.1
124.99133	1.8
127.02466	1.4
127.03924	1.2
128.98611	10.9
130.08629	4.6
131.00203	0.8
131.01941	5.7
131.52032	0.7
133.03482	1.0
134.99663	2.2
137.01913	2.0
139.02452	1.3
140.98648	1.1
142.01788	4.4
142.96544	6.0
143.00244	3.7
143.01897	10.6
144.98105	1.4
145.03487	3.7
145.05016	0.7
146.99622	5.9
149.01169	0.9
149.03021	0.7
152.94995	1.8
155.00534	0.8
155.01875	7.0
156.98160	1.2
157.03523	4.3
158.99643	3.4
159.05026	0.8
160.02937	1.1
160.97598	2.0
161.01286	2.2
161.02972	8.1
162.99046	0.7
163.02553	0.7
163.03854	0.8
165.00703	2.0
167.01947	3.4
169.03491	1.8
170.96028	8.0
170.99664	4.3
171.04990	1.3
172.97678	1.0
173.01587	1.2
173.02991	11.1
174.99146	5.2
175.04591	1.6
177.00723	3.7
177.02237	0.7
179.02136	1.7
183.05145	1.2
184.97592	6.9
185.02928	12.6
185.04272	14.9
186.99165	0.8
187.04547	2.4
188.97086	10.4
188.98810	0.9
188.99127	1.0
189.00673	7.9
190.98647	1.0
191.04105	1.2
191.05855	0.6
193.00218	4.0
194.03397	0.8
197.02980	5.0
201.00743	0.9
201.06073	0.7
202.98698	8.8
203.03625	6.4
203.05316	40.1
205.00125	1.0
206.98152	3.5
207.01811	4.2
208.99666	0.9
209.03081	1.0
212.97083	2.7
215.04030	4.7
215.07623	1.0
217.00262	4.8
219.01761	4.0
220.99733	3.4
221.04732	3.7
223.01094	0.9
224.01846	0.8
224.04507	1.8
227.04091	3.7
230.95828	0.7
230.98120	14.2
231.01784	1.0
235.01241	5.0
236.02081	2.5
237.02849	4.0
242.98172	1.1
243.01913	0.9
244.99747	7.6
245.05070	35.4
246.05130	0.9
247.01294	2.5
248.99167	3.9
249.02937	1.6
250.03302	1.0
251.04433	1.1
255.04037	1.5
257.05133	3.4
260.99234	2.5
261.02954	1.0
263.00766	14.0
263.06232	6.8
267.03827	1.9
268.04379	1.3
275.00757	2.6
275.06085	4.8
281.01855	1.3
285.04984	0.9
286.02167	0.9
293.01657	1.6
293.07205	1.0
303.09290	0.7
305.01855	2.0
305.07184	2.2
305.10925	2.3
305.57788	0.7
321.04794	0.9
323.02933	1.4
323.06628	2.1
333.01227	2.2
347.02975	2.2
365.10858	100.0
366.10715	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.321
Annotation	Terminaline
Peak:m/z	Relative Intensity
50.45523	0.7
53.03939	2.3
55.01863	0.8
55.05517	20.1
57.07069	1.8
60.08154	3.5
65.03934	2.1
65.98434	0.7
67.05509	40.5
69.07071	16.9
69.74880	4.3
70.06587	2.9
71.04987	1.4
73.02906	1.9
79.05499	28.9
81.07063	36.6
83.04982	1.6
83.08617	5.3
85.06546	1.8
86.09698	1.3
91.05489	11.9
91.88188	0.8
93.07048	31.9
95.05003	1.8
95.08610	25.2
97.06542	1.4
97.10135	1.8
99.04456	2.2
99.08055	0.9
105.07040	7.8
107.07883	1.1
107.08600	18.0
109.06516	1.7
109.10160	9.4
111.08099	1.0
116.07080	2.2
119.08601	4.6
121.10153	12.4
123.08031	0.8
123.11755	1.7
125.17861	0.8
126.60292	0.7
131.08582	1.1
133.10146	3.2
135.11693	2.8
145.10120	1.5
145.43704	0.9
147.11707	2.0
149.13264	2.7
161.13322	0.8
163.14746	0.9
187.14891	1.1
235.89830	0.8
244.09138	1.0
246.18616	0.9
279.65555	0.8
301.11014	0.8
305.24762	56.9
364.32114	100.0
365.32477	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	13.8
57.03419	1.8
59.04975	1.8
61.02920	3.6
67.05479	1.9
69.03429	1.9
69.07040	1.3
70.06601	19.7
71.04981	4.6
71.48634	1.7
71.48972	1.2
72.08145	3.3
79.05502	2.5
81.07059	8.4
82.05333	3.6
83.06078	1.5
84.08138	3.3
85.02894	2.2
86.09694	4.2
87.05543	1.3
91.74133	1.3
93.07062	1.4
95.06068	2.3
97.02894	2.3
98.97589	14.9
99.08092	1.6
110.07166	43.0
110.97571	5.6
116.98619	4.1
120.08120	2.4
127.03812	1.5
128.98608	4.0
129.10246	2.4
130.48555	1.3
131.05989	1.4
132.05597	1.5
137.07115	1.7
138.06596	2.6
146.99564	1.7
147.05487	2.1
148.05023	2.3
161.01224	2.9
162.10304	6.7
163.12302	8.9
166.06085	3.6
167.10667	1.9
170.99611	1.9
185.13110	1.6
186.07979	1.4
190.09885	1.7
190.13353	6.3
192.14799	1.7
195.03232	3.1
201.10274	17.7
207.12379	2.9
213.04324	1.5
217.10889	2.0
218.12933	7.4
219.01851	4.8
221.01208	3.2
224.16362	3.7
235.11903	29.8
236.79974	1.3
237.02762	8.1
239.02205	8.8
257.03317	2.4
287.18750	5.9
315.18176	41.7
333.19214	16.1
365.05826	51.7
365.10678	2.6
365.21835	100.0
383.06381	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	365.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	1.5
66.87176	0.5
70.06576	1.0
70.12825	0.4
70.22065	1.9
70.99854	0.5
82.99867	0.6
84.08156	2.2
97.02940	0.5
98.97620	2.3
100.55670	0.4
101.00893	3.3
110.50105	0.6
110.97568	0.6
112.89651	1.5
113.00895	0.8
116.07122	0.8
116.98626	0.9
119.01900	3.4
128.98613	1.3
130.08641	1.3
131.01926	1.9
142.01775	1.8
143.01906	4.3
145.03502	1.8
155.01920	2.4
157.03516	1.7
160.02798	0.6
160.48544	0.4
161.02963	3.6
167.01959	1.2
169.03516	0.5
171.05093	0.6
173.02982	3.8
174.99124	0.6
179.01846	0.8
185.02910	4.0
185.04254	19.5
187.04576	1.0
188.97145	0.9
194.07695	0.4
197.02934	2.6
202.98688	0.7
203.03676	2.4
203.05299	43.7
215.04076	0.9
221.04568	1.5
227.04123	1.2
245.05074	13.9
250.03351	0.7
256.44397	0.6
263.00949	0.8
263.06198	2.3
275.06073	1.7
286.05215	0.7
293.07230	0.6
305.07361	1.0
328.89166	0.5
364.74725	0.5
365.10999	100.0
366.10797	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
55.05521	2.8
56.05045	3.9
57.03436	3.1
57.38224	0.6
58.76826	0.7
60.04532	100.0
62.06097	0.8
67.05509	10.0
69.03442	0.8
69.07079	1.4
69.52132	4.0
70.06597	2.6
71.05002	0.9
72.04535	3.1
74.06103	2.4
79.05503	8.7
80.05029	1.3
81.03420	1.9
81.07069	9.2
82.06583	2.0
83.04994	0.9
83.08621	1.1
84.08176	2.0
85.02899	0.8
85.06560	1.9
90.05569	1.3
91.05483	8.9
93.07050	8.0
94.06578	1.4
95.08612	9.7
97.02930	0.9
97.06547	1.4
98.21517	0.8
105.07042	5.8
107.08623	5.2
108.08145	1.0
109.06513	0.8
109.10182	2.2
111.08131	0.7
116.07117	2.2
117.07065	2.0
119.08600	3.4
120.08112	1.5
121.10159	3.5
122.09705	0.9
123.11741	0.7
125.09685	1.0
129.07034	1.9
131.07718	0.7
131.08546	3.4
133.10139	3.5
134.09694	1.0
135.11772	1.7
139.45607	0.7
143.08583	1.3
145.10173	2.4
147.11703	2.0
157.10019	0.9
158.06117	0.7
159.11736	1.7
161.13303	1.2
167.10681	1.1
169.10243	0.9
171.11736	1.4
178.62830	0.6
183.11746	0.8
186.29822	0.7
194.55968	0.6
194.66023	0.6
199.23624	0.7
201.16460	0.9
216.16013	1.0
244.71317	0.8
274.21747	1.5
292.22729	3.6
310.23837	5.0
319.15405	1.0
328.24857	10.6
346.25919	48.8
364.26959	78.4
365.27319	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	364.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	17.7
60.08152	3.2
67.05513	41.0
69.07074	22.2
71.04978	3.3
71.52705	4.4
73.02900	2.4
79.05500	22.6
81.07072	35.4
83.08617	7.0
84.08150	3.7
85.06546	2.8
91.05472	11.6
93.07058	31.0
95.08606	24.8
97.59129	2.9
105.07019	7.9
107.08606	15.4
108.60023	2.2
109.06499	2.8
109.10162	9.9
111.26340	2.4
119.08582	4.9
121.10150	14.1
123.11693	3.3
131.08546	5.3
135.11696	5.3
145.09982	2.8
149.13318	4.2
173.09569	2.5
195.06625	3.8
196.06886	3.1
293.07782	2.3
305.24774	52.7
318.31552	4.4
364.32138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2697
Annotation	Broussonetine S
Peak:m/z	Relative Intensity
51.76429	0.7
53.03942	1.2
54.48376	0.6
55.01882	1.2
55.05520	2.5
56.05046	2.8
60.04532	94.8
64.34092	0.6
65.03940	0.7
67.05516	9.0
69.03434	1.4
69.07072	3.6
69.90932	1.7
69.91351	1.7
70.06599	2.2
71.04997	1.1
72.04520	4.2
74.06087	1.7
76.23802	0.7
79.05503	8.8
80.05042	1.0
81.03437	1.3
81.07058	13.1
82.06598	1.4
83.04993	1.5
84.08140	5.8
85.02921	0.9
85.06554	1.9
85.08504	1.4
86.09734	0.7
90.05577	0.8
91.05496	9.7
93.07053	8.7
94.06591	2.1
95.04981	1.5
95.08606	6.3
96.08133	0.9
97.02899	0.8
97.06551	1.4
99.04479	0.7
99.08117	3.6
105.07045	7.1
107.08598	5.4
109.06522	0.9
109.10177	1.6
110.06036	0.7
111.08099	0.7
116.07133	1.4
117.07058	2.4
119.08573	4.7
120.08131	0.8
121.06456	0.9
121.10174	3.8
122.02782	2.2
123.08076	1.5
128.06261	0.9
129.07013	1.3
131.08592	3.8
133.06441	1.0
133.10139	3.9
135.11705	2.8
137.09705	0.6
139.11159	0.7
142.08681	0.9
143.08560	1.9
144.10214	0.8
145.10129	2.2
147.04422	2.5
147.11711	1.1
149.09572	1.0
157.10143	0.8
159.11749	1.5
161.09650	2.2
167.10725	2.0
171.11719	1.1
173.13289	0.7
189.09047	0.7
189.16280	0.6
191.17947	0.7
203.07657	1.0
207.10194	1.3
225.11182	0.9
235.63414	0.8
274.21802	1.2
292.22714	3.1
293.20871	0.9
310.23807	4.5
328.24863	15.3
346.25906	100.0
347.26242	2.7
364.22266	2.6
364.27014	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	364.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41071	0.3
52.56732	0.3
55.01876	0.4
55.05512	0.9
67.05515	1.1
68.56097	0.3
69.03443	0.6
69.07066	0.9
70.06606	0.9
71.05002	2.1
71.52072	0.3
71.52438	0.4
71.59079	0.3
72.08152	1.2
73.06559	0.5
79.05495	1.8
81.03436	3.2
81.07079	2.7
83.04996	0.9
83.08631	1.2
84.08147	0.4
85.02924	1.2
93.07049	4.1
94.33221	0.3
95.04990	0.9
95.08624	0.8
97.02944	0.5
97.06562	1.7
100.07647	0.3
105.07046	1.3
107.04965	0.5
107.08606	5.2
109.06516	0.4
109.10169	0.6
111.08079	2.2
118.50685	0.3
119.03577	1.6
119.08607	0.9
120.08105	0.4
121.10160	1.5
125.09640	0.4
129.06966	0.5
131.08604	0.7
133.10107	0.3
135.11708	2.6
136.06201	100.0
137.04578	0.6
137.06583	0.4
145.10173	0.6
147.06842	0.8
147.11768	0.6
149.09599	0.7
153.12761	16.3
157.10095	0.6
167.07036	0.3
167.10707	2.8
169.70818	0.3
174.07799	1.5
175.11232	0.9
176.10735	0.4
177.07892	0.7
185.11742	1.0
193.12244	2.0
202.12314	0.5
204.10353	0.4
211.13297	1.9
273.13559	1.7
276.23367	0.8
302.17529	12.3
302.21005	0.7
320.18585	2.0
328.17868	0.7
346.19260	2.4
364.19818	41.5
365.20020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01864	0.9
55.05518	1.0
56.20002	0.7
56.20285	0.7
57.03439	1.0
58.06585	1.1
60.04514	1.6
60.94920	0.6
61.02920	0.8
63.95337	0.6
67.05508	3.2
69.03429	1.7
69.07075	2.8
71.04983	2.5
71.18595	1.1
72.08172	0.8
75.04470	1.8
79.05486	2.8
81.03409	0.8
81.07063	5.2
84.30418	0.6
85.02909	3.9
86.94059	0.5
91.05495	3.4
93.07050	21.7
93.07639	1.2
95.04941	1.4
95.08604	6.2
97.02927	1.7
97.06535	8.5
99.03852	1.0
99.04462	11.3
105.07043	3.0
106.63981	0.6
107.08598	5.6
109.06551	3.9
109.10171	9.1
111.04430	1.9
111.08089	2.3
116.06236	0.6
121.02881	1.5
121.10152	27.6
123.08076	0.7
123.11708	2.6
125.06003	1.7
125.09564	0.9
127.03951	1.4
131.08572	1.6
137.09636	1.6
139.11191	6.7
145.04993	0.8
149.09650	7.1
155.10675	3.0
167.10690	100.0
168.10962	1.3
177.05504	1.3
185.11766	15.5
217.64491	0.6
244.11777	0.6
302.17639	0.7
331.98859	0.7
346.25818	0.8
364.21283	1.2
364.26892	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
58.06598	1.9
60.04534	22.1
67.05508	3.7
69.03432	2.8
69.07079	3.7
70.06602	2.7
71.05001	14.9
71.53019	1.2
74.62128	1.0
79.05512	4.9
81.03431	2.2
81.07071	5.7
83.04973	1.4
84.08145	1.0
85.02916	5.6
91.05502	6.4
93.07056	33.6
95.04990	1.1
95.08607	5.0
97.02885	1.1
97.06524	4.8
99.04469	60.9
105.07056	3.9
107.08614	8.9
108.08126	1.0
109.02903	1.1
109.06539	5.6
109.07172	0.9
109.10174	7.4
111.04469	1.2
115.85918	1.0
119.08598	1.8
120.08115	1.0
121.10162	18.1
123.08110	2.2
130.06586	1.0
131.08580	4.1
137.09581	1.2
139.11182	0.9
145.10179	1.0
147.11967	0.9
149.09653	13.0
155.10686	4.6
161.13335	1.0
167.10699	100.0
168.11015	1.5
169.34357	1.1
173.07645	0.9
184.07658	0.9
185.11780	13.4
206.32631	0.9
221.33217	1.0
290.80203	1.0
310.23685	1.6
328.24841	4.2
346.25815	8.0
364.26932	20.3
365.06662	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01877	0.8
55.05515	8.0
55.08894	0.6
56.01392	1.0
57.03432	1.6
57.07086	5.1
58.06596	0.9
58.47840	0.6
61.02909	1.7
65.03960	1.4
67.05510	46.5
69.03429	4.7
70.06585	1.2
70.10759	1.4
70.11153	1.4
71.04984	1.9
72.08163	45.9
73.02912	0.7
79.05487	1.1
80.34812	0.6
81.03406	2.8
85.02435	1.0
85.02914	11.8
85.06548	24.4
86.09690	0.6
87.00813	1.5
88.03978	0.8
90.09207	0.7
91.05507	1.2
93.07035	0.9
95.04980	10.2
95.08593	0.8
97.02885	4.6
99.04475	1.8
105.07035	1.7
107.04967	1.1
107.08598	0.9
109.02847	1.8
110.07183	1.3
113.06013	24.1
116.01691	1.3
116.07102	36.7
119.08587	1.4
121.06504	1.0
121.10198	1.0
122.02693	0.8
123.04370	0.7
123.08115	0.8
127.03908	3.4
143.08623	0.9
145.04977	1.9
147.08070	0.9
149.09734	0.7
151.07530	3.4
159.02895	1.0
161.09605	1.0
166.12309	1.7
167.07082	3.1
167.10742	1.5
179.10664	0.7
184.13348	100.0
185.08162	0.7
185.13612	0.8
192.07442	0.6
193.61313	0.6
202.14400	75.5
203.14719	0.9
207.10184	4.3
225.11267	2.9
243.12247	0.8
257.08499	1.3
272.78601	0.8
275.70163	0.6
317.07074	0.6
328.12335	1.8
346.13333	3.8
346.18600	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26598	1.7
53.03954	3.0
56.80853	2.4
57.03432	6.5
60.04523	7.2
61.02922	2.8
65.62990	1.7
69.03442	5.0
71.18318	4.1
72.08169	1.9
75.04495	15.6
76.41382	1.7
79.05501	8.8
81.03433	2.4
81.07076	11.1
85.02917	13.6
91.05503	9.6
93.07056	89.6
95.08607	5.2
97.02902	5.9
103.05495	1.9
105.07059	7.0
107.08598	4.8
109.10197	2.0
111.08087	11.2
118.88500	2.0
121.10163	100.0
123.11725	2.7
125.06036	3.3
127.03922	3.3
139.11172	22.1
140.52115	1.8
145.04933	2.7
149.09654	14.2
167.10689	42.9
228.75839	1.8
236.42050	1.7
346.25665	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	363.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.3
57.07061	5.3
67.00600	1.6
67.05495	4.1
69.07073	8.0
69.26945	5.8
69.27366	9.5
71.08633	4.9
75.23410	1.8
75.34528	1.6
79.05508	3.5
81.07073	9.9
83.08636	3.0
84.07780	1.6
85.06552	2.6
89.06036	6.3
95.08611	7.7
98.21597	2.1
99.08080	2.5
104.13150	1.6
105.06985	2.1
107.08603	3.4
109.06525	15.9
109.10223	1.7
110.04834	1.7
119.08591	5.6
119.99120	1.9
121.10098	3.5
123.08092	35.9
133.08525	1.9
133.10132	2.1
135.08057	4.3
135.11758	1.9
137.09636	2.1
147.11739	2.6
179.14328	71.7
191.04138	1.7
195.12213	1.9
251.04698	1.7
307.22919	3.0
331.26184	3.6
363.16492	3.0
363.28949	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
55.05522	5.5
56.01393	2.6
56.05024	1.4
56.96568	1.3
57.03437	1.8
58.06597	0.7
60.04525	1.7
61.02934	0.7
67.05523	1.0
67.96009	0.8
69.03436	4.7
69.49747	4.8
70.06599	6.4
72.08152	4.4
72.69318	0.8
81.03421	4.6
81.07050	1.6
82.06577	0.8
84.04517	2.2
84.08165	4.0
85.02495	0.9
85.02915	8.4
86.09715	3.0
87.00821	2.2
89.52493	0.7
93.07076	1.0
97.02904	4.2
98.97610	2.0
99.04491	1.2
105.01868	1.3
109.02903	3.2
110.07181	2.7
110.97596	0.8
112.61775	0.7
114.12205	0.7
116.07104	100.0
121.06516	1.1
121.10085	1.0
123.04439	1.1
124.07637	0.9
127.03938	5.5
129.06754	0.8
129.10277	1.7
137.06030	1.7
141.05493	0.7
143.00162	0.8
145.04976	1.7
146.06117	0.8
147.02818	0.7
147.04436	1.1
153.85741	0.7
159.02928	2.5
163.03925	0.9
167.07048	10.0
167.10771	1.2
168.07379	0.8
191.02933	0.9
202.05188	2.8
202.14444	2.2
237.02931	1.6
239.02420	0.9
251.15201	1.1
346.22507	1.6
346.88077	0.8
365.05762	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	364.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67765	0.6
55.01870	1.0
55.05502	2.4
56.01387	0.9
57.03429	1.0
58.06593	1.8
61.02934	1.1
67.05515	1.7
69.03434	3.1
69.58397	4.6
70.06599	1.7
71.05000	0.9
72.08163	1.8
73.02888	0.8
76.69927	0.7
78.04719	1.6
79.05505	1.3
81.03416	3.0
81.07060	0.9
83.04997	1.2
84.04485	0.7
85.02922	6.9
87.00826	1.2
91.05479	0.9
93.07046	0.7
95.04966	1.0
97.02888	2.8
99.04482	1.4
105.01904	0.8
105.03735	0.6
105.07002	1.3
106.04169	1.2
107.04957	1.1
107.96055	0.8
109.02861	1.9
116.07108	45.7
119.08606	0.7
121.06546	0.9
121.10192	0.7
123.04430	4.8
124.05225	1.1
127.03927	2.9
134.49826	0.6
138.05496	1.2
140.04724	1.1
141.05399	0.8
145.04968	2.1
147.08084	1.2
149.09586	0.8
151.03917	0.8
151.07562	1.1
152.04651	1.7
155.07042	1.1
156.13924	1.2
160.07607	2.8
163.03870	1.0
166.05040	1.1
167.07059	100.0
177.05814	0.6
179.90988	0.7
180.08725	1.2
184.13318	2.7
185.08006	1.0
188.09526	1.5
202.14371	5.0
203.11777	0.8
207.10234	1.7
237.02855	0.8
302.15851	1.4
347.11963	0.6
364.14197	2.7
365.17401	1.4
371.58466	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
55.05515	5.1
57.07073	2.0
59.04995	1.3
67.05514	5.4
69.07074	8.4
69.78571	0.6
70.51396	0.7
70.58279	2.3
71.04992	1.3
71.08623	2.2
73.06551	0.9
79.05495	5.1
80.29062	0.9
81.07065	10.5
83.08637	4.1
85.06569	1.0
89.06027	2.9
91.05491	2.8
93.07047	5.8
95.04996	0.8
95.08619	8.4
97.06522	2.2
105.07041	4.0
107.08597	6.4
109.06534	7.7
109.10175	3.9
111.08096	2.3
119.08575	2.8
121.06560	0.8
121.10164	3.1
123.08083	53.2
123.11727	1.9
131.08586	1.2
133.08603	1.3
133.10141	3.9
135.08060	4.2
135.11673	2.1
137.09607	3.3
145.10193	1.5
147.11694	3.1
149.09615	1.6
149.13332	2.3
151.09695	2.9
151.11197	1.7
159.11697	1.0
161.13277	1.4
163.11205	0.9
167.14398	0.9
171.97998	0.7
177.12807	0.9
179.14301	11.2
195.12180	1.3
275.20181	1.5
307.22672	8.3
331.26401	3.5
333.27707	0.9
363.28958	100.0
364.29260	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22574	4.4
50.42918	3.8
54.50471	3.9
55.05502	12.6
56.22420	4.7
56.96553	6.3
57.07066	9.1
58.06597	6.6
59.69257	4.5
62.15850	4.2
62.24094	4.0
67.05498	11.7
69.07077	36.4
69.66878	23.9
69.67274	4.1
70.06583	13.9
71.08616	4.3
72.08145	5.4
75.03784	4.7
79.05492	9.9
81.07038	14.2
86.09696	16.5
91.05492	10.4
95.08620	10.2
103.00808	4.1
105.07038	5.9
107.04981	10.7
109.10166	26.7
117.07030	6.3
127.11153	4.9
127.87838	3.8
131.23112	3.9
143.08556	4.6
145.06483	13.2
146.11714	6.8
147.08081	4.2
157.06482	13.6
159.08066	11.8
161.05995	8.4
167.07056	35.9
171.08151	4.8
173.05972	17.4
174.06737	4.6
175.07513	6.2
181.08646	7.6
186.06808	4.9
187.07549	5.4
191.07001	6.5
193.08551	11.1
199.11238	7.1
201.09126	8.4
203.06947	4.2
205.08646	23.6
207.10158	5.3
217.08575	22.0
218.09258	7.1
219.10190	16.9
221.11774	6.1
227.10716	14.3
231.10220	21.6
233.11739	6.8
245.11644	15.0
247.13455	8.5
257.11957	6.9
257.26639	11.5
259.13260	7.8
261.11295	8.2
261.14792	5.6
271.13431	10.3
271.16843	12.3
283.16879	12.5
288.17188	8.5
301.29425	30.9
303.19635	36.3
307.15500	14.7
315.19562	20.3
327.19629	9.9
345.20682	14.6
363.14594	4.7
363.21725	32.4
363.32968	100.0
364.17911	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	363.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19243	1.5
57.07070	3.4
58.06605	1.6
63.48235	1.4
67.05516	2.5
69.07044	1.7
70.06602	62.8
71.52946	1.7
77.18820	1.6
79.05497	10.1
81.07047	4.3
86.47076	1.6
91.05483	5.0
93.07055	4.6
95.08607	3.3
98.06059	2.5
105.07017	2.8
107.08599	10.3
116.07108	100.0
133.10165	4.3
147.11737	2.8
149.13272	4.7
154.12283	2.5
160.15602	1.4
175.11282	2.5
192.41583	1.5
248.20148	14.0
322.12051	1.8
340.13669	2.0
363.14526	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
55.01875	4.9
55.05518	21.7
57.07073	9.3
58.06597	11.8
59.05007	3.3
67.05511	27.3
69.07079	100.0
69.07465	5.2
69.75487	18.4
71.05009	11.1
72.08160	6.8
75.04494	3.6
75.46159	3.6
79.05509	26.3
81.07066	84.3
81.60609	3.2
82.58318	3.4
83.04979	8.0
83.08614	13.7
85.02921	4.4
91.05488	36.5
93.03411	15.2
93.07057	90.3
95.04997	7.2
95.08629	38.3
97.06531	33.1
98.21512	3.9
103.05484	12.4
105.06372	6.8
105.07041	47.7
106.04182	32.7
107.04963	8.2
107.08601	82.5
109.06543	5.7
109.10170	75.0
111.08079	6.4
111.11720	4.6
115.05453	10.1
117.07071	6.6
119.04933	9.2
119.08570	3.9
121.06534	40.9
123.11728	6.5
125.06008	9.6
125.13220	4.1
131.04875	4.7
131.08591	5.6
133.06525	39.4
133.81325	3.7
134.03702	4.9
135.04411	10.7
135.10701	5.4
135.11717	90.5
137.06003	7.3
149.05998	45.1
151.07578	7.5
153.05499	7.1
153.09132	12.5
153.12766	78.2
161.06009	96.8
165.05446	17.3
167.07091	22.5
168.07832	3.2
168.18834	3.3
173.05945	4.1
177.05489	26.9
179.06940	3.6
180.07852	12.4
181.08643	28.8
187.07582	6.0
191.07028	4.1
193.08640	42.1
196.07266	4.7
201.09128	3.4
205.08601	10.7
207.10249	3.7
208.07376	8.2
209.08113	81.6
211.09703	10.9
219.10095	7.4
223.09746	5.2
231.10255	4.7
303.19647	9.6
315.19656	5.0
345.20425	4.6
346.04990	3.9
363.14670	6.1
363.21658	13.4
382.88715	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	363.2168
Annotation	Nelumol B
Peak:m/z	Relative Intensity
53.03942	8.7
55.01843	4.8
55.05516	20.9
57.02119	3.7
57.07069	10.3
58.06604	5.9
65.03936	6.0
67.05513	31.9
69.03422	5.7
69.07074	100.0
71.04995	7.8
71.52732	6.9
71.53085	5.2
72.08154	12.3
79.05492	28.2
81.07071	74.3
83.08639	19.4
89.06018	5.4
91.05507	29.1
91.06008	5.0
93.03394	13.2
93.07059	76.8
95.04977	9.1
95.08609	31.2
97.06568	25.6
103.05457	14.7
105.03396	4.6
105.07040	51.4
106.04203	25.4
106.04780	3.9
107.04980	8.5
107.08601	88.3
109.06510	8.6
109.10170	76.2
111.08070	4.9
111.11765	6.5
115.05458	10.2
117.07027	5.4
119.04948	5.0
119.08649	4.0
121.06508	34.6
123.08091	5.1
123.11700	4.9
124.05205	7.1
125.05988	7.4
127.11176	6.7
129.07065	4.8
130.07864	4.5
131.04962	5.7
131.08546	5.5
133.06487	33.9
135.04422	11.8
135.11716	66.9
137.05954	7.4
137.13205	5.7
141.07024	4.9
144.05693	4.9
145.06485	9.8
148.05315	3.7
149.05995	41.8
151.07562	10.0
153.05492	5.5
153.09122	8.7
153.12749	77.7
157.06479	10.3
159.08073	9.2
161.05989	65.6
165.05479	13.5
167.07076	37.3
170.07300	5.7
171.08133	4.4
173.05925	9.4
175.07570	8.0
177.05534	21.1
179.07005	8.5
180.07849	13.7
181.08594	24.3
187.07489	12.4
187.11188	4.4
190.06337	5.1
193.08636	46.8
201.09126	17.3
205.08488	22.7
207.10170	8.1
208.07280	9.4
209.08099	57.1
211.09526	8.2
215.10631	5.5
217.08635	17.3
218.09421	6.0
219.10185	13.0
223.09653	7.9
227.10614	10.3
227.82085	5.2
231.10211	18.5
233.11697	8.2
235.09769	6.6
245.11798	13.5
247.13365	9.6
266.43900	4.1
271.13364	6.1
271.16940	15.0
275.19315	4.0
278.67273	3.9
279.12292	6.7
283.17111	8.4
288.17310	10.9
295.16898	5.2
303.19553	28.3
307.15375	15.8
315.19550	10.0
327.19504	9.2
345.20615	12.2
345.25922	4.0
363.14752	9.8
363.21625	33.0
363.32858	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	363.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
57.92982	0.4
60.14898	0.3
61.02927	1.6
67.05514	0.5
69.03425	0.9
69.78936	2.0
70.02959	0.6
70.06571	0.6
73.02930	10.5
79.05485	1.0
80.05029	1.5
82.02957	1.6
82.06579	1.9
84.08160	0.7
85.02906	1.7
86.09685	0.8
92.04987	0.5
93.07056	1.0
94.06597	0.8
95.08615	0.5
97.02871	0.6
99.05591	5.7
100.04000	1.3
105.07081	0.7
107.04970	12.2
108.04495	22.6
115.03919	0.9
117.20828	0.4
120.04478	0.9
123.05573	4.4
125.07128	100.0
131.05029	0.4
133.54053	0.4
136.06227	1.1
137.07117	7.5
139.03847	0.4
142.24120	0.4
145.06494	9.0
145.07626	0.5
159.70717	0.4
163.95894	0.5
167.08214	0.9
169.06541	0.8
186.09157	1.5
188.10776	0.5
214.08655	19.2
226.95296	0.5
229.09801	1.1
231.11319	45.9
232.11649	0.6
240.08786	0.6
245.09213	0.8
257.11322	8.8
269.11514	0.5
273.12338	2.0
326.94839	0.5
346.12720	1.1
350.15381	0.5
363.15540	59.6
364.15738	0.7
364.20364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
54.03478	0.4
55.01876	2.1
55.15973	0.4
57.03441	2.5
59.04986	0.5
60.04496	0.5
61.02932	0.6
67.05515	0.4
68.05045	0.4
69.03443	1.7
69.35597	0.6
69.36005	2.3
70.02964	0.9
70.06585	1.2
71.01349	1.2
71.04998	0.5
72.08155	0.5
73.02923	4.7
78.80786	0.3
79.05483	1.1
80.05023	2.6
81.07072	0.6
82.02944	1.6
82.06592	2.9
82.48782	0.3
84.04528	0.5
84.26876	0.3
85.02912	3.1
87.04508	0.4
88.15224	0.3
88.57586	0.4
91.05476	1.1
93.05782	0.3
94.06578	0.4
95.04958	0.6
96.04499	1.3
97.02903	1.2
99.05585	6.1
99.08202	0.3
100.03973	1.9
107.04965	16.1
108.04487	27.8
115.03943	1.2
117.07045	0.5
120.04502	0.7
121.06523	0.4
123.05569	5.4
125.07125	100.0
126.07437	0.6
131.04929	0.7
133.04968	0.8
133.06526	0.5
137.07109	4.9
141.06982	0.8
145.06493	11.9
147.04439	0.4
150.05516	2.1
159.08067	0.4
165.06732	0.4
167.06940	0.6
167.08200	5.1
169.06470	0.9
186.09122	1.3
188.10724	0.5
196.09779	0.5
197.06104	0.4
197.09154	1.1
214.08649	16.8
222.07655	0.4
229.09756	1.1
231.11307	56.2
232.11694	0.9
239.10345	1.1
240.08754	1.0
243.02910	0.6
247.09718	0.5
256.09766	0.5
257.11353	12.9
273.12335	3.0
345.14572	1.0
346.12973	1.2
363.15564	28.2
363.19919	2.1
364.16016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.1
57.03441	2.5
58.06615	2.2
61.02911	1.8
65.03918	2.1
67.05510	24.0
69.03419	7.4
70.06608	2.9
70.73556	1.7
71.04977	2.0
71.51371	2.0
72.08158	2.0
81.03403	8.2
83.04984	1.7
84.04498	3.2
84.08118	5.1
85.02913	31.0
86.09731	2.6
87.00851	3.1
87.04471	4.0
93.03412	2.3
94.94629	1.5
95.04977	11.5
97.02901	12.4
98.97583	6.9
99.04495	3.2
103.03963	3.0
109.02875	7.0
115.03954	16.2
116.98644	2.0
121.02856	2.1
127.03931	11.2
134.06018	7.3
138.05518	59.5
142.99905	1.7
145.04979	4.2
147.04443	3.2
148.07568	2.8
150.05565	2.5
152.07074	3.8
158.99672	3.1
162.05550	3.4
163.03867	2.0
166.05020	100.0
167.07034	4.2
176.07079	4.6
177.00708	1.7
180.06577	40.7
184.06071	77.5
204.06577	7.3
208.06061	38.6
219.01822	3.1
226.07121	11.2
230.96518	4.0
232.06085	10.5
237.02797	2.5
246.07646	2.8
250.07085	11.0
262.07083	2.4
274.07077	4.7
292.08109	3.4
363.10168	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	362.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.3
57.06823	0.6
57.07080	5.3
58.06591	1.6
66.19925	0.4
67.05506	11.3
68.05032	0.5
69.07055	0.9
70.06597	16.8
70.76834	0.7
70.77208	1.5
71.04603	1.2
71.04996	19.8
71.08620	3.0
72.08152	2.5
79.05485	1.9
81.07057	9.3
83.08612	2.4
84.08122	1.4
85.06538	0.8
86.09711	2.6
88.07632	7.3
89.06062	0.7
91.05467	1.2
93.07047	1.8
95.08592	1.5
97.10148	2.7
99.08096	1.6
102.09199	4.8
107.08567	1.4
109.09466	0.8
109.10160	7.6
114.09190	0.5
115.94820	0.5
119.08551	0.5
119.11758	0.5
123.11711	1.8
125.09627	3.1
132.10219	6.9
133.10184	0.8
146.11757	6.8
151.11185	1.0
155.10687	3.9
155.14311	14.0
161.13307	0.5
171.10199	0.9
173.11761	10.6
179.14188	0.9
189.11227	3.6
212.23758	1.9
238.25331	1.4
244.50984	0.5
256.26361	17.2
277.21689	4.2
295.22849	0.5
300.28973	33.1
301.29105	0.7
304.95929	0.6
310.10336	0.5
344.31625	1.3
362.32648	100.0
363.32977	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.9
57.07081	6.6
58.06604	1.6
67.05183	0.8
67.05512	12.3
69.07050	1.1
70.06599	17.5
70.16815	0.6
70.57790	1.5
70.58190	1.3
71.04996	19.2
71.08642	4.0
72.08157	1.9
79.05487	1.7
81.07071	8.1
83.08646	3.1
84.08161	1.2
85.10179	0.6
86.09698	2.6
88.07642	8.2
93.07024	1.2
95.08588	1.6
97.10160	2.5
99.08097	1.1
102.09186	5.9
107.08606	1.4
109.10159	8.1
119.08569	1.0
119.74856	0.5
123.11735	4.0
123.76256	0.7
125.09628	2.9
127.95065	0.7
132.10210	7.3
145.26823	0.6
146.11774	6.5
151.11174	1.0
155.10698	4.7
155.14314	16.7
171.10164	0.8
173.11757	13.2
179.14308	1.7
185.03409	0.6
189.11217	4.0
212.23785	2.3
221.93414	0.6
229.14665	0.6
238.25246	0.8
256.26379	18.0
277.21661	4.7
278.24573	0.6
295.22610	0.9
299.83289	0.7
300.28992	33.3
301.36108	0.6
344.31653	1.2
362.32669	100.0
363.33115	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45655	0.4
55.05515	4.1
57.06829	0.6
57.07082	8.5
58.06610	2.2
62.54516	0.5
67.05514	9.3
68.05027	0.8
69.07057	1.8
70.06601	18.6
70.21847	1.6
71.05001	14.6
71.08639	5.0
78.84962	0.4
79.05481	2.0
81.03468	0.4
81.07063	6.7
83.04985	0.5
83.08631	2.4
84.08126	1.1
85.10178	1.1
86.06109	0.5
88.07644	21.4
91.05478	1.5
93.07045	2.3
95.08619	1.8
97.10161	3.0
99.08089	1.4
102.09190	15.0
105.07040	0.8
106.08623	0.5
107.04952	0.8
107.08584	1.6
109.10170	6.4
114.09203	2.3
119.08566	0.9
123.11723	3.0
125.09627	3.0
132.10214	5.1
135.11716	0.7
137.09705	0.4
146.00313	0.5
151.11226	1.2
155.10667	2.6
155.14325	14.2
156.55554	0.5
161.13300	0.5
163.11179	0.5
173.10278	0.6
173.11754	12.4
173.13203	0.9
176.12843	1.2
179.14348	0.6
183.04794	0.6
189.11205	4.2
190.14523	0.5
191.59877	0.5
194.13989	1.7
212.23703	0.7
229.05232	0.5
256.26376	53.4
257.26736	0.6
274.27426	0.7
277.21680	4.4
295.22720	0.7
318.30121	0.5
344.31674	4.2
362.32675	100.0
363.32993	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33898	1.3
58.06590	2.6
58.62074	1.3
69.07069	3.4
69.99590	6.8
76.58984	1.6
81.07035	1.8
88.03997	1.8
91.05479	3.8
96.88528	1.5
98.20775	1.5
98.21301	2.7
123.11739	1.6
126.38702	1.3
131.15114	1.3
147.04416	6.3
175.03920	100.0
186.96074	1.6
189.05489	13.9
201.05518	2.4
203.07010	3.2
217.08595	4.0
231.10080	2.1
243.10214	4.2
299.16498	24.3
316.05380	4.4
317.17471	13.3
347.07196	3.7
362.09567	16.9
362.14566	2.4
362.30920	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	362.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36090	0.2
55.05503	0.2
56.05035	0.3
57.03418	0.3
57.07071	0.6
58.06602	0.4
58.28653	0.2
60.04537	2.0
67.05494	0.4
69.03435	1.1
69.95937	0.8
70.06591	0.8
71.04986	0.4
73.02942	0.2
75.04474	0.4
79.05518	0.5
81.03429	0.7
81.07051	0.5
81.15282	0.2
82.06584	2.0
83.04987	0.4
84.08149	100.0
85.02909	4.1
85.08482	0.6
86.09704	0.2
91.05478	0.5
93.07037	0.3
95.04984	0.3
97.02907	0.7
98.20888	0.3
99.04468	0.3
101.02491	0.2
104.58136	0.2
107.08617	0.4
109.02895	0.3
109.06587	0.2
111.04447	1.1
114.05545	0.2
116.07119	0.5
119.04960	0.3
119.08640	0.2
120.13458	0.2
121.10152	0.4
123.04452	0.2
123.08106	0.3
127.03913	0.5
131.08589	0.3
132.04471	1.3
137.05949	0.3
144.10210	13.6
147.04510	0.4
149.09674	0.2
163.11200	0.2
165.09145	0.3
186.11330	0.2
206.15465	0.2
247.13802	0.2
252.16141	0.8
258.42862	0.2
268.13480	0.2
288.14252	1.6
298.18268	0.5
326.23431	0.5
344.18570	0.6
344.24603	0.8
362.21951	39.2
363.22241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1965
Annotation	Robustamine cis-N-oxide
Peak:m/z	Relative Intensity
52.69262	0.3
55.01866	0.7
55.05499	1.3
56.05035	0.4
57.07061	0.7
58.64132	0.3
60.04539	2.3
60.77365	0.3
65.03918	0.4
67.05502	0.9
68.05035	0.7
68.36887	0.3
69.03427	0.4
69.07062	0.9
69.26949	2.9
70.06256	0.6
70.06599	7.6
72.08157	0.9
77.78133	0.4
79.05505	1.7
81.03357	0.4
81.07044	1.1
83.04987	2.2
84.08149	1.0
86.09709	0.4
91.05489	1.8
93.07034	1.1
94.06561	0.4
95.04985	0.7
95.08612	1.3
97.06514	0.7
98.06075	0.4
104.05354	0.8
105.07041	2.4
107.08601	1.5
109.02888	0.6
109.06570	0.9
109.10155	1.1
110.07802	0.3
111.04453	12.5
112.07570	0.5
113.80827	0.4
114.05542	1.8
116.07095	5.5
117.07054	1.1
119.08578	2.5
120.08119	1.4
121.02848	0.7
121.06500	1.6
121.10149	0.8
123.08104	2.5
125.07124	0.5
127.86104	0.4
129.07065	0.4
131.08562	1.1
133.10168	0.9
135.08066	2.5
135.11696	1.4
137.05963	0.8
137.09682	0.7
143.08589	0.6
145.06500	1.3
145.10143	1.0
147.08043	0.7
147.11717	0.4
148.11153	1.0
149.09613	1.1
150.12787	0.7
157.10133	0.5
158.09892	0.6
159.08032	0.9
159.11722	1.6
161.09654	0.4
162.12823	2.1
163.07536	0.6
163.11212	3.6
164.14349	0.7
171.11754	0.4
172.08986	0.4
172.11140	0.5
173.05927	0.8
173.09668	0.4
173.13356	0.5
174.12770	0.9
174.96919	0.6
176.14407	0.7
177.15285	0.4
180.10229	0.7
183.11707	0.5
186.12801	0.5
187.11119	0.8
188.14395	1.5
190.12163	0.6
191.07054	0.7
192.10199	0.4
192.13805	0.4
198.12898	0.7
200.14270	0.9
201.12805	0.7
201.15030	0.4
203.12180	1.3
206.11774	0.5
206.15398	2.7
207.12561	0.7
208.13315	0.9
208.16942	1.1
210.11249	1.0
212.14297	0.9
215.13843	2.0
216.13866	0.7
218.15427	1.1
220.13387	0.8
222.14888	3.9
224.12756	0.7
226.15569	0.4
229.12306	1.8
231.11530	0.5
232.13370	0.6
234.14902	1.4
238.15887	2.0
240.17601	0.6
243.02943	0.3
244.13322	0.4
246.14822	0.4
247.13391	0.4
248.12856	1.4
250.14445	1.2
252.15883	7.7
254.19040	0.7
256.13461	0.6
256.17154	0.5
258.15021	0.6
260.12866	0.7
262.16153	0.6
263.15274	0.5
273.13876	0.5
274.18076	2.3
280.16983	2.4
284.16495	3.5
288.15952	4.7
298.18036	7.8
300.19519	1.8
302.17554	0.8
306.13293	2.1
316.19037	2.1
318.17123	0.5
319.17535	0.8
326.17563	2.0
326.23380	0.8
344.18597	6.3
344.24475	0.8
362.19638	100.0
363.19989	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
53.64247	1.6
54.13361	1.8
55.01871	5.2
55.05495	6.4
55.24968	2.1
56.05036	2.4
57.03435	4.6
58.06351	1.9
58.06613	19.4
60.04535	37.5
61.02932	9.0
63.81846	1.7
67.05492	6.2
68.05014	2.4
69.03437	13.1
69.07066	6.5
70.06602	26.7
71.04981	5.6
71.51657	3.1
72.08170	20.6
73.02956	4.0
73.08476	1.8
79.05507	10.6
81.03409	6.4
81.07069	9.5
83.04973	3.2
83.08601	2.8
84.04517	3.3
84.08149	28.3
85.02909	64.3
86.09716	12.7
91.05482	5.9
93.07047	8.0
95.04985	4.9
95.06076	2.1
95.08618	3.3
97.02905	20.3
97.06526	10.6
98.97564	3.0
99.04440	5.1
103.05457	3.5
105.07043	25.4
107.04948	9.7
107.08586	5.5
109.02876	6.4
109.06538	2.4
109.10154	3.0
110.07132	2.3
111.04456	12.4
116.07122	7.0
117.07010	4.7
119.04958	2.5
119.08595	11.0
120.08134	4.8
121.06516	6.4
121.10144	7.6
122.02741	2.0
123.04441	67.8
123.08052	2.7
123.11724	16.2
125.05992	5.4
126.09180	2.8
127.03928	11.7
129.10207	2.3
131.08577	4.7
132.04457	19.3
133.06511	47.2
133.10133	4.4
135.08049	4.7
137.05991	100.0
140.07019	2.9
144.10236	4.0
145.04984	17.1
145.06497	4.7
145.10129	5.1
147.04379	3.6
149.06004	9.3
151.07559	2.3
154.08636	4.9
157.10138	3.4
159.08090	2.1
159.11714	22.8
161.13338	4.4
162.12901	1.9
163.03964	5.4
163.06012	3.5
163.07507	3.2
163.11188	5.7
164.04240	2.8
165.04207	4.1
165.05513	61.3
165.09123	45.6
167.07069	12.1
167.22392	1.9
168.06526	2.2
173.13164	2.4
177.12688	2.6
180.08690	5.5
182.05258	2.3
183.06613	12.8
183.10185	44.4
183.11777	2.2
187.11212	6.6
200.09312	2.8
205.12259	27.8
219.01826	2.2
221.11841	2.4
221.13913	2.0
223.13335	19.0
230.08147	20.7
248.12807	2.0
252.15932	7.3
298.17984	5.9
308.22180	3.1
326.17325	3.3
326.23300	6.3
344.18491	5.4
344.24451	10.0
362.15784	21.8
362.19659	66.8
362.25137	7.8
385.34857	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	362.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
53.23019	0.9
55.01871	2.2
55.05502	1.8
56.05044	1.7
56.96586	1.1
57.03429	4.3
58.06591	3.4
60.04531	7.8
61.02931	6.4
65.03960	1.0
67.05496	2.6
69.03438	13.7
69.07053	1.1
70.06603	8.6
71.05001	1.6
71.51749	1.3
72.08148	3.0
73.02908	4.3
74.06070	1.2
75.04482	0.9
79.05491	2.2
81.03431	4.7
81.07063	1.2
82.06571	1.2
84.04512	2.6
84.08150	5.8
85.02910	54.7
86.09708	7.7
87.04464	1.1
91.03954	2.7
91.05476	4.3
93.07074	1.5
95.04974	3.3
95.08633	2.0
97.02899	18.8
98.97566	1.5
99.04468	3.3
102.05508	1.3
103.05485	1.5
105.07035	3.0
107.04971	2.7
107.08559	1.4
109.02873	5.1
109.10152	4.3
112.08723	1.0
114.05537	1.4
117.07025	2.1
119.08565	3.4
121.06484	1.2
121.10157	1.7
122.02709	1.1
123.04436	87.6
123.08132	1.5
123.11728	1.4
124.04764	1.3
127.03947	10.9
128.07080	2.4
129.10197	2.4
131.04916	2.2
131.08546	1.5
132.04469	4.1
136.06229	1.7
136.07521	1.6
137.05956	9.8
137.09657	3.1
145.02867	1.3
145.04961	15.2
147.04393	1.9
147.08026	5.1
149.06000	1.8
150.06752	1.1
151.07422	1.1
159.11789	1.7
163.03943	4.5
163.06027	2.2
164.04225	2.2
165.05490	62.0
165.09122	100.0
165.34612	1.1
177.09155	1.1
180.08614	6.8
183.06567	19.6
183.08090	1.7
183.10110	4.6
185.07976	1.1
187.14420	3.3
189.09091	1.2
200.09201	3.0
200.12796	1.4
205.12137	1.4
207.08112	1.2
215.13844	2.3
229.09789	2.7
230.08102	5.7
230.10100	7.9
235.07556	1.6
291.12177	2.0
316.11835	1.1
326.23108	1.3
344.24319	2.3
362.15652	4.1
362.24689	4.0
367.06888	1.2
368.07147	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2738
Annotation	[12]-Shogaol
Peak:m/z	Relative Intensity
51.41348	0.4
55.01858	0.5
55.05518	2.8
57.07071	1.6
61.06409	0.5
67.05498	1.7
69.03432	0.5
69.07071	4.1
69.37997	2.5
69.38425	1.5
74.05824	0.4
81.07058	3.6
83.01346	3.6
83.04993	2.2
83.08611	0.8
91.05505	0.6
93.07024	1.4
93.30109	0.5
95.04979	1.0
95.08607	3.4
97.10175	0.5
107.08608	1.7
109.06510	0.7
109.10166	1.5
111.04442	4.4
113.02370	1.8
121.06514	1.1
121.10211	0.7
123.04430	0.6
123.08076	0.5
129.01860	0.9
132.23474	0.5
133.10120	0.6
135.04387	0.8
135.08063	1.1
135.11713	0.5
137.13277	1.5
138.75914	0.5
139.03905	26.4
141.05476	1.2
145.10120	0.5
149.05998	1.5
149.09659	0.7
150.19824	0.5
151.14786	0.8
153.05463	4.5
165.12819	0.8
167.07050	1.6
183.13799	1.1
191.14268	2.3
205.15979	0.5
225.14896	5.4
237.14865	53.3
251.16460	5.9
263.16522	0.7
265.17859	0.7
275.90115	0.5
277.17938	0.9
279.19565	2.7
305.21152	3.0
319.22626	0.7
361.27377	100.0
362.27750	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.1
56.05135	1.9
57.07063	3.1
67.05242	1.7
67.05516	21.0
67.34640	2.0
69.07072	16.0
69.65599	12.8
70.06582	2.9
71.05001	17.6
71.08616	2.0
77.70380	1.8
79.05479	10.5
80.25663	2.6
81.07065	46.4
83.08618	5.5
91.05479	7.8
93.07056	33.3
94.14106	2.3
95.08608	33.0
97.10158	3.5
102.33043	1.8
104.86308	2.1
105.07052	13.5
107.08602	37.4
109.09467	3.8
109.10164	50.6
119.08601	13.3
121.10143	29.6
123.11723	20.8
124.57167	2.0
125.09627	5.4
127.11202	23.0
129.01817	9.4
131.08562	3.4
133.10139	11.6
135.11705	20.1
137.13257	3.1
145.10117	9.0
147.11678	25.8
149.13272	100.0
153.12746	3.4
157.10048	2.0
159.11723	2.5
161.13264	7.8
163.14816	4.4
173.13217	4.4
175.14815	8.4
177.16414	18.6
185.08083	8.1
187.14717	2.8
191.17958	5.5
195.17476	28.5
201.16391	5.0
203.17958	20.2
209.18964	2.7
217.19432	2.6
231.21230	2.3
257.22644	4.7
309.36670	2.2
320.59875	2.2
323.36380	2.1
325.28857	7.5
343.29996	21.1
361.09143	6.5
369.04633	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0917
Annotation	3,5,7-TRIHYDROXY-3',4',5'-TRIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
55.78820	0.1
57.43988	0.1
67.05486	0.3
68.99796	0.6
69.46558	0.4
69.46984	0.4
70.06574	0.2
79.05479	0.1
81.07034	0.3
91.05476	0.2
95.04939	0.2
95.08579	0.3
98.20757	0.2
99.90095	0.1
100.15675	0.1
103.47737	0.1
105.03435	0.2
105.07023	0.1
107.04935	0.4
107.08557	0.1
109.02849	0.2
121.02835	0.3
121.06488	0.4
123.00767	0.2
123.04429	0.2
131.04877	0.2
133.02864	0.1
133.06462	0.3
134.03654	0.2
135.04422	2.1
137.05992	0.2
138.06740	0.3
139.00261	1.5
140.01033	0.1
145.06476	0.2
147.04343	0.1
148.05179	0.4
149.02286	0.2
149.05995	0.5
151.00188	0.2
151.03882	0.1
151.07532	0.5
154.02553	0.2
155.03403	0.1
159.04454	0.2
161.05986	3.2
163.03868	0.4
165.01772	0.1
165.05472	1.2
166.99771	0.1
167.03372	0.1
167.06993	0.2
168.00496	0.4
169.01309	1.8
169.05011	1.0
171.02899	0.3
171.04382	0.2
173.05927	0.1
175.03972	0.1
175.07555	0.3
176.04688	0.6
177.05441	0.3
178.06232	0.3
181.01306	0.2
181.04945	0.4
183.02879	1.0
183.04362	0.2
185.00900	0.2
185.05969	0.5
186.01476	0.2
187.03825	0.3
187.07521	0.6
189.05461	1.0
191.07112	0.3
195.02870	0.4
199.03920	0.2
201.05492	0.3
203.07066	0.4
205.04999	0.3
209.00787	0.1
213.05409	0.9
215.03485	0.1
217.04942	1.5
228.04088	0.2
229.04961	0.4
231.06519	2.0
241.04887	0.3
245.04417	1.1
247.06131	0.2
257.04474	0.7
259.06046	0.5
260.03088	0.2
271.02286	0.3
272.03284	0.2
272.06534	0.1
273.03992	0.5
274.04498	0.2
275.05563	0.5
283.02411	0.3
284.03128	0.2
285.03952	1.2
286.04721	0.5
287.05502	17.2
288.05887	0.2
299.02017	0.2
299.05521	0.3
300.02621	0.4
300.06290	0.4
301.03726	0.2
301.07034	0.6
302.04227	2.0
302.07565	0.2
303.04971	2.5
313.03336	0.9
314.04056	0.3
315.04987	40.3
316.05307	0.8
317.03015	0.3
317.06500	1.8
328.05890	0.4
329.06430	0.7
330.03711	3.0
330.07297	0.3
331.04413	1.9
332.05188	0.3
345.06061	6.6
346.06839	35.0
347.07144	0.4
358.45490	0.1
361.09171	100.0
362.09515	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	361.0918
Annotation	5,7,3'-Trihydroxy-2',4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
52.64319	0.8
53.03946	2.4
58.60930	0.8
63.46268	0.9
65.21056	0.8
78.92680	0.8
79.05480	1.7
81.03371	0.9
91.05456	1.1
92.02614	2.5
95.04952	2.8
96.97945	0.9
103.45173	0.8
109.22008	0.8
117.41006	0.8
125.06012	3.8
135.04434	100.0
135.05515	3.8
151.03935	2.5
153.01880	1.3
161.05908	1.1
165.05461	1.0
183.02869	1.4
199.02278	0.9
209.04469	1.2
213.05513	1.0
215.03329	0.9
226.06256	1.5
229.05049	1.4
242.71272	0.9
243.06555	0.9
248.47057	1.0
253.03468	6.3
254.05768	1.3
257.04413	2.0
269.04501	1.6
271.06033	2.5
285.03824	1.7
287.05585	3.9
299.05441	1.1
300.06244	4.2
301.04053	1.0
301.07220	3.1
302.04343	1.6
303.04871	1.9
315.04977	9.9
315.08664	24.5
316.05670	0.9
317.06506	2.5
317.10159	1.0
328.05875	1.4
329.06598	14.0
330.03943	1.4
330.07260	6.1
333.09482	0.9
343.08191	8.3
345.06180	7.4
346.06876	9.0
360.34857	1.0
360.66330	1.1
361.09183	60.1
362.09470	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0923
Annotation	3,5,7-TRIHYDROXY-3',4',5'-TRIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
55.05513	0.4
57.85781	0.2
64.38847	0.3
67.05497	0.3
69.03445	0.5
69.07062	0.5
70.11199	1.0
79.05494	0.7
81.07038	0.5
85.02881	0.6
91.05485	0.5
93.07046	0.4
95.04922	0.4
95.08610	0.5
97.02917	0.3
105.03387	0.3
105.07033	0.3
107.04984	0.3
107.08571	0.3
109.02890	0.4
111.04417	0.3
119.08551	0.3
121.02883	0.7
121.10210	0.3
135.04443	1.2
137.06020	1.2
139.00288	0.5
147.04437	0.4
149.02339	0.9
149.06033	0.4
151.03909	0.9
151.07617	0.4
153.01855	0.7
154.02641	0.4
161.05991	1.2
163.03908	0.5
164.04713	0.5
165.01900	0.4
165.05513	1.6
167.03432	0.4
167.07069	0.4
168.00595	0.3
169.01347	0.6
169.05023	2.6
176.04837	0.3
177.05359	0.2
181.01360	1.6
181.04985	0.7
182.01944	0.3
183.02911	3.6
185.06142	0.3
187.03882	0.3
187.07500	0.4
195.02917	0.6
197.04463	0.3
197.06084	0.4
199.02568	0.2
201.05437	0.3
209.00909	0.3
217.05029	0.5
228.04240	0.3
229.05043	0.7
231.06561	0.5
245.04468	0.4
245.08325	0.2
247.05974	0.3
257.04465	1.6
258.05090	0.3
259.06091	0.6
260.03156	0.5
271.05972	0.5
273.04141	0.2
273.07693	0.5
274.04700	0.3
275.05450	1.3
285.03928	1.5
286.04861	0.3
287.05533	5.7
287.08823	0.3
288.06174	0.3
292.88565	0.2
299.05554	0.6
300.02765	0.3
300.06378	0.8
301.04022	0.3
301.07147	1.0
302.04269	3.0
303.05017	3.1
313.03485	0.9
314.04297	0.6
315.05026	14.6
316.05557	0.6
317.03119	0.3
317.06558	7.5
318.07178	0.4
328.05942	1.8
329.06558	2.0
330.03741	2.5
330.07416	0.6
331.04498	2.9
332.05276	1.0
332.08978	0.3
345.06097	14.2
346.06876	15.6
361.09210	100.0
362.09622	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	361.0921
Annotation	Quercetagetin 6,3',4'-trimethyl ether
Peak:m/z	Relative Intensity
55.01880	0.2
55.05514	0.4
65.03961	0.3
67.05509	0.6
68.99763	0.2
69.07069	0.5
69.95354	1.0
70.06583	0.5
71.05004	1.1
72.05343	0.3
72.15118	0.2
79.05493	0.6
81.03428	0.3
81.07056	0.6
88.04027	1.4
91.05466	0.6
93.03412	0.7
93.07041	0.7
95.04976	0.4
95.08611	0.6
97.02894	0.3
107.08576	0.3
109.02876	0.6
109.10104	0.3
113.64596	0.2
119.08588	0.4
121.02891	1.6
121.10217	0.2
123.04447	0.7
125.02366	0.2
129.07001	0.4
131.08601	0.4
132.10185	0.2
133.02917	0.3
135.04465	0.3
137.02367	2.4
137.05994	3.7
137.06975	0.4
145.10225	0.2
149.02373	2.4
151.03914	2.3
153.01851	1.4
164.04710	1.5
165.01852	0.6
166.06284	0.2
168.04169	0.4
173.11691	0.2
181.01326	4.8
182.02084	0.4
183.02914	0.7
183.04393	0.3
187.03932	0.2
191.07016	0.4
193.06996	0.2
196.14297	0.3
197.00792	0.3
197.04532	1.9
199.02422	0.5
201.05499	0.5
203.07188	0.2
219.06560	0.5
227.16388	0.5
228.16823	0.5
229.04979	1.7
232.03735	0.6
241.04890	0.3
243.02603	0.2
243.06635	0.3
245.04475	0.3
246.05244	0.3
247.06081	0.8
257.04532	2.7
258.05237	0.5
259.06052	1.5
260.03177	1.3
261.03918	0.4
261.07666	0.2
269.04404	0.5
271.05978	0.3
273.04056	0.4
273.07538	0.4
274.04794	1.0
274.27319	1.2
275.05524	3.8
276.20306	0.3
285.03992	3.5
286.04733	0.5
287.05417	0.5
288.03009	0.3
289.06976	0.6
299.05545	0.6
300.06393	0.7
301.03574	0.4
301.07108	0.4
302.04288	3.6
303.05029	9.7
313.03436	2.3
314.04227	0.8
315.04999	1.5
316.05707	0.3
317.03381	0.5
317.06595	13.0
318.07269	1.0
327.05051	0.4
328.05789	2.3
329.06580	4.2
330.03748	1.5
331.04514	5.7
332.05283	2.5
345.06082	13.7
346.06860	24.0
347.07333	0.4
361.09210	100.0
361.30472	1.5
362.09708	1.3
362.32715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0922
Annotation	3,5,7-TRIHYDROXY-3',4',5'-TRIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
51.34390	0.1
61.75846	0.1
68.99785	0.4
69.93845	0.6
72.47290	0.1
81.07063	0.3
91.05470	0.2
93.07026	0.2
95.04977	0.2
95.08646	0.1
105.03353	0.3
107.04950	0.4
117.68573	0.2
121.02850	0.2
121.06491	0.4
122.03637	0.2
126.76907	0.1
127.03882	0.2
131.04948	0.2
133.02867	0.2
133.06512	0.3
134.03632	0.2
135.04440	2.6
137.02388	0.1
137.05992	0.3
138.06667	0.2
139.00273	1.3
145.69049	0.1
147.08093	0.2
148.05193	0.4
149.02333	0.2
149.05986	0.6
151.00252	0.2
151.03870	0.3
151.07564	0.5
153.01846	0.2
155.03423	0.2
161.06001	3.4
163.03944	0.5
165.05498	1.1
168.00578	0.4
169.01355	2.0
169.04991	1.3
171.02914	0.3
173.06027	0.2
175.07585	0.2
176.04692	0.5
177.05492	0.4
178.06340	0.2
181.01343	0.4
181.04984	0.4
183.02927	1.2
183.04395	0.2
185.00876	0.2
185.06001	0.6
187.03931	0.3
187.07544	0.5
189.05481	1.0
191.07047	0.2
195.02953	0.6
201.05417	0.2
203.07019	0.4
205.04977	0.3
213.05502	0.9
217.04951	1.4
229.05023	0.4
231.06541	2.2
241.04964	0.5
243.02925	0.2
245.04500	1.1
247.06041	0.2
256.03607	0.2
257.04486	0.6
258.05341	0.2
258.78400	0.1
259.06012	0.7
260.03284	0.2
271.02328	0.3
272.03015	0.2
273.03897	0.4
275.05463	0.4
282.05011	0.2
283.02411	0.3
285.03995	1.2
286.04776	0.8
287.05524	17.0
288.05884	0.3
289.06918	0.2
299.02036	0.2
299.05505	0.2
300.02661	0.4
300.06198	0.2
301.03473	0.3
301.06998	0.6
302.04227	1.8
303.05017	2.9
305.10126	0.2
313.03461	1.0
314.04184	0.3
315.05011	42.0
316.05362	0.9
317.03122	0.2
317.06488	1.9
328.05811	0.3
329.06580	1.1
330.03763	3.1
330.07361	0.2
331.04504	2.2
332.05179	0.4
345.06107	7.3
346.06870	36.7
347.07208	0.6
361.09198	100.0
362.09595	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	361.092
Annotation	3,5,7-TRIHYDROXY-3',4',5'-TRIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
68.99794	0.3
69.64098	0.4
69.64510	1.1
96.14358	0.2
118.46890	0.2
121.02928	0.4
121.06510	0.3
122.03645	0.3
135.04422	1.3
137.02377	0.4
139.00320	0.5
146.03665	0.2
148.05209	0.6
151.07578	0.4
161.05997	1.2
163.03896	0.4
165.05496	2.2
167.03427	0.4
168.00580	0.3
169.01396	0.7
169.05000	2.9
176.04704	0.4
177.05524	0.4
181.01471	0.3
183.02898	3.8
187.03947	0.3
187.07486	0.3
189.05489	0.5
195.02966	1.3
205.05154	0.3
211.03931	0.3
213.05554	0.3
217.04997	0.7
224.03311	0.4
228.04074	0.3
229.04845	0.3
231.06557	1.1
240.41451	0.2
241.04927	0.3
245.04538	0.8
256.03812	0.3
257.04410	1.0
258.05350	0.3
259.06000	0.4
271.06024	0.5
273.03891	0.4
285.04013	1.5
286.04733	0.6
287.05533	7.9
299.05347	0.3
300.06232	0.8
301.03781	0.3
301.06976	1.4
302.04245	3.1
303.05075	1.5
305.10333	0.6
313.03555	0.6
314.04254	0.3
315.05011	19.4
316.05618	0.6
317.02969	0.5
317.06497	4.4
318.06665	0.3
327.05130	0.3
328.05887	1.8
329.06467	1.8
330.03720	3.2
330.07382	1.0
331.04355	2.1
332.05136	0.6
332.08884	0.5
345.06073	16.2
346.06860	15.7
347.07089	0.3
361.09192	100.0
362.09579	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0919
Annotation	3,5,7-TRIHYDROXY-3',4',5'-TRIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
64.29444	0.2
68.25587	0.2
68.99790	0.5
70.30914	0.7
74.09717	0.2
78.21015	0.2
91.05471	0.3
108.85526	0.2
121.06532	0.3
133.06512	0.3
135.04442	2.6
139.00250	1.3
142.28871	0.2
142.65125	0.2
148.05167	0.7
149.05934	0.5
151.07552	0.5
161.05994	3.8
163.03920	0.4
165.05510	1.0
168.00571	0.4
169.01355	2.0
169.04950	0.6
171.02905	0.4
175.04022	0.3
175.07614	0.2
176.04678	0.6
177.05496	0.4
178.06348	0.2
183.02892	0.8
185.05956	0.3
187.07533	0.8
189.05487	0.8
195.02885	0.2
201.05499	0.2
203.07048	0.4
213.05544	1.1
217.04999	1.5
229.04941	0.5
231.06509	1.6
241.04974	0.5
245.04477	0.9
257.04446	0.6
259.06015	0.3
273.03940	0.6
275.05521	0.6
283.02267	0.3
285.03992	0.9
286.04648	0.7
287.05527	18.4
288.05823	0.3
300.02982	0.4
300.06232	0.4
301.03244	0.3
301.07013	0.3
302.04263	1.7
303.05035	2.6
313.03418	1.1
314.04401	0.3
315.05005	42.9
316.05429	1.2
317.06540	1.4
329.06458	0.5
330.03720	3.3
331.04523	1.8
332.05258	0.2
345.06082	6.2
346.06866	35.0
347.07254	0.7
361.09198	100.0
362.09567	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	7.1
57.03424	7.0
58.42008	4.2
60.04523	9.9
69.03442	7.9
70.06586	12.5
70.34203	15.2
71.05010	4.9
79.05539	5.5
81.07051	5.5
83.04991	7.4
84.08166	6.1
85.02913	8.8
85.96478	4.2
86.09728	4.6
91.05479	9.1
93.07037	6.9
95.04964	9.1
95.08638	6.2
97.02881	5.5
98.97596	39.1
110.97598	11.3
116.98666	12.6
117.07101	4.8
121.10149	12.7
123.04445	60.3
124.04791	30.0
128.98616	7.6
130.04143	5.0
133.06093	7.1
139.11180	6.2
143.00090	5.5
145.10176	7.2
147.04393	6.6
151.03902	18.7
151.05013	4.7
152.98610	5.9
158.99724	9.2
163.07579	19.3
163.11165	7.9
164.07903	17.3
168.50917	4.5
170.99657	6.1
179.07069	7.4
180.07321	5.7
181.04982	12.3
181.12263	16.6
190.08734	7.2
191.07071	34.4
191.08755	7.3
192.07414	37.9
197.05833	5.3
199.13376	20.4
208.09726	62.3
209.10051	79.9
219.01837	13.6
237.02873	14.2
237.26602	4.7
241.04750	5.4
256.06894	15.8
257.08124	6.2
275.08023	5.7
293.09103	64.0
301.06625	8.3
309.62363	4.3
311.10498	6.7
315.08881	6.2
316.09009	47.3
317.09296	6.1
326.11087	10.0
332.21921	4.9
335.10077	14.0
343.13736	6.2
361.08987	100.0
361.14642	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.2
55.01870	5.8
55.05513	37.2
57.00251	3.8
58.23453	4.8
59.27292	4.2
64.88171	3.9
67.05512	78.1
69.07078	33.6
70.06589	5.8
70.77169	11.5
71.05000	81.5
73.06564	4.3
78.25603	4.1
79.05081	4.9
79.05504	76.1
81.07057	33.7
83.04986	4.9
83.08627	23.8
87.08112	6.5
91.05501	21.8
93.07050	72.1
95.08627	32.3
97.06535	11.5
97.10192	33.0
105.07039	23.6
107.08607	57.9
109.10165	61.7
111.08127	6.2
115.57441	5.4
119.08593	19.1
121.10165	82.7
123.11736	5.7
125.09638	27.3
131.08562	5.3
133.10141	11.0
135.11703	4.4
145.10152	6.8
149.09659	11.9
153.12758	61.8
155.10706	43.2
159.70137	4.0
161.13284	6.0
171.10184	5.4
173.11763	100.0
173.13202	8.3
175.04027	7.5
189.11237	37.5
246.81337	4.0
257.18939	7.3
258.80450	4.2
275.20099	66.4
293.21106	7.1
315.50302	3.8
361.09378	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	360.217
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07969	1.0
58.06594	1.3
67.05485	1.9
69.03433	1.7
69.85732	5.4
79.05495	1.8
80.71724	0.8
81.07059	4.6
85.02879	1.5
91.05485	6.6
93.07055	1.9
95.08607	4.0
98.21455	1.8
109.10145	8.6
119.04933	2.9
121.10128	5.5
123.11717	13.7
135.11777	1.8
135.23914	1.0
147.04414	13.9
147.27960	0.9
150.00937	1.0
166.05763	1.4
175.03922	100.0
177.05417	1.6
178.09685	0.9
183.11656	0.9
189.05429	6.3
201.05453	1.9
203.06996	2.9
217.08647	2.8
241.08641	3.2
255.10124	2.9
297.14862	55.5
315.04761	1.5
354.13217	1.1
360.07993	11.2
360.17297	1.6
361.09171	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71622	7.9
53.67869	8.1
55.05500	25.1
58.06594	10.1
59.05010	9.1
61.60522	8.5
63.06674	7.6
66.50166	8.1
67.05508	55.4
69.03437	11.5
69.07069	21.1
69.74084	48.0
69.98299	8.2
71.04996	53.3
74.09746	8.9
79.05492	43.3
81.03428	13.2
81.07078	49.2
85.02904	15.4
91.05503	26.2
93.07034	51.6
95.04974	13.8
95.08601	25.8
97.10207	12.3
98.20834	13.5
105.07018	40.2
107.04944	9.7
107.08607	45.7
109.10140	25.9
115.05484	8.8
119.08591	19.8
121.10149	45.1
123.04468	8.3
125.09620	19.4
127.03773	11.3
131.08643	10.2
132.24759	7.6
133.10077	15.0
135.08037	62.0
135.08972	9.5
137.02325	18.4
139.36821	9.2
145.04872	13.6
151.03903	24.9
153.12721	31.9
155.10674	9.2
159.11644	15.8
166.05801	9.4
173.11787	48.9
173.12994	8.2
189.11209	26.7
195.06548	50.6
195.13734	13.2
208.10583	9.5
227.16360	19.5
254.03806	11.0
275.20074	51.5
285.03564	9.2
300.05884	18.8
302.04044	13.8
315.04971	34.8
332.08228	41.8
345.05765	16.6
346.06790	38.1
360.07928	89.6
360.17786	9.9
361.09177	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01864	1.2
56.96582	1.4
57.03439	2.9
58.06606	4.8
59.81900	1.0
60.04533	12.3
61.02923	3.0
67.05493	0.9
68.52357	1.0
69.03430	8.0
69.07063	1.4
70.06605	6.3
70.38029	2.6
71.04980	1.2
72.08162	10.9
73.02917	1.1
76.02203	0.7
79.05506	1.9
81.03420	2.0
81.07060	3.0
84.04522	4.9
84.08156	4.6
85.02912	24.0
86.09707	14.8
87.04467	1.4
87.10047	2.4
89.03901	2.6
91.03944	1.7
91.05499	1.9
93.07101	1.5
95.04968	2.8
97.02899	7.2
99.04426	0.9
103.05478	38.8
105.07071	1.6
107.04961	1.8
107.08614	1.3
109.02892	2.5
111.20465	0.8
113.30883	0.9
117.03407	3.1
117.07030	0.9
119.04922	1.2
121.38332	0.9
122.02760	1.2
127.03941	8.1
129.10234	1.6
131.04941	100.0
135.04424	10.7
137.06015	3.7
138.06314	1.0
145.02853	8.1
145.04959	9.0
147.04422	4.6
162.05476	1.2
163.03925	60.3
163.06165	1.5
163.07558	35.9
165.05505	5.2
171.07642	0.9
175.10789	1.0
176.11214	0.9
177.02087	0.9
177.05566	1.2
177.62440	1.0
180.06520	1.5
180.08694	2.0
180.10115	1.7
181.04968	21.2
181.08545	1.1
184.53893	0.9
191.07022	1.6
198.07581	1.0
198.11349	1.9
198.23192	0.8
199.18102	1.3
208.09708	1.8
221.11775	1.1
229.09767	2.6
237.02890	1.3
254.21234	1.6
272.22241	1.4
280.10452	1.0
307.66104	1.0
324.21796	2.5
342.22775	8.7
343.29492	1.7
360.13684	2.7
360.17859	2.9
360.24014	5.3
360.27884	1.2
360.32263	4.0
365.05554	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	360.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
57.03434	1.3
60.04514	1.9
62.30141	0.5
67.05514	0.9
68.99787	1.5
69.00150	0.5
69.96351	2.6
70.06599	3.7
72.08122	0.7
79.05488	0.8
80.74014	0.5
81.07075	0.9
83.01334	0.5
83.04993	1.1
85.02874	1.3
91.05474	1.5
95.04958	1.4
96.60921	0.5
98.20771	0.7
103.05453	0.6
105.07053	1.3
107.04931	1.6
107.08607	0.5
109.02872	0.5
115.05471	0.8
117.07010	2.3
119.04939	2.2
121.06497	2.3
123.04443	28.0
135.04416	1.5
135.08058	3.7
136.07549	1.9
137.05977	1.4
145.06512	2.6
147.04430	8.2
147.08118	0.7
149.05978	2.5
151.03914	1.9
157.06520	0.7
161.05966	1.5
163.03954	1.1
163.07553	14.8
165.05464	4.0
173.06017	6.4
175.07561	0.8
179.07025	5.4
181.08644	0.6
189.05450	0.7
190.08636	11.6
191.07045	53.8
203.06990	2.5
208.09705	100.0
220.09775	1.2
221.08142	0.6
255.06363	1.2
263.94534	0.5
307.09778	1.0
315.08594	1.5
325.10770	5.8
342.13467	4.3
342.22720	0.7
343.11884	2.8
360.14432	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	360.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.4
57.03436	8.3
61.02922	5.5
61.05428	1.3
69.03431	34.2
70.06597	2.9
70.14224	1.5
70.14565	4.1
71.04999	3.2
71.57863	1.1
73.02919	5.8
75.13486	1.2
81.03417	4.3
84.09516	1.2
85.02905	100.0
85.24527	1.1
89.03923	4.1
91.03974	2.3
97.02892	39.4
97.94307	1.1
98.20821	1.3
99.04459	7.5
99.52629	1.1
101.02383	6.4
109.02876	4.7
115.03925	4.1
117.03378	3.4
127.03918	74.5
127.79642	1.3
135.04422	5.2
145.04965	70.1
163.03923	21.4
163.05997	17.4
169.03438	2.6
180.08662	4.2
181.07109	2.2
185.03111	1.6
215.04059	1.4
245.05099	3.8
275.06177	5.9
289.09149	1.6
302.89087	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
55.58910	0.5
57.03432	1.6
58.06588	1.2
59.05013	0.5
60.04528	2.6
61.02926	1.7
69.03441	4.0
69.07060	0.7
70.06573	1.7
71.04985	0.5
71.51717	0.7
72.08138	2.7
72.96349	0.5
73.02926	0.9
73.08529	0.4
76.02235	0.6
79.05486	1.1
81.03412	1.5
81.07054	1.9
84.04527	0.7
84.08143	1.4
85.02915	14.7
86.00645	0.6
86.09723	3.3
88.83595	0.5
89.03919	2.4
91.03947	0.8
91.05475	1.6
93.07027	1.6
95.04966	0.9
97.02899	4.7
103.05485	3.2
105.07018	0.7
107.04980	2.5
109.02880	1.9
109.06557	0.6
117.00112	0.9
117.03383	5.5
117.07048	0.6
119.04932	0.8
119.08615	0.5
122.02735	2.3
123.04417	0.7
124.07531	0.7
127.03925	4.3
129.10281	0.6
131.04933	7.0
132.01122	1.3
133.10149	0.6
135.04425	12.7
135.11708	0.9
137.05983	1.8
139.03822	0.9
145.02858	11.6
145.04951	4.2
145.10162	0.8
147.04417	2.1
147.11697	0.6
152.10690	0.7
157.10075	0.5
163.03917	100.0
163.07503	3.2
164.04237	0.9
165.05495	20.4
165.06906	1.1
175.11162	0.6
180.08636	1.4
181.04971	41.2
185.16553	0.8
191.07051	1.3
198.07761	0.6
208.09782	1.4
221.11722	10.6
342.22702	1.0
360.14008	1.8
360.18231	0.7
360.24084	0.7
361.14651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23380	1.5
51.28233	1.6
57.06800	1.8
57.07081	46.7
71.08640	39.8
85.10191	24.0
89.06039	92.5
97.10194	3.1
99.11761	1.9
107.07077	100.0
111.11734	2.0
120.55045	1.7
130.08633	5.2
148.09706	2.2
182.55817	1.7
221.89340	1.6
359.30389	1.8
371.66748	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.2
53.03951	4.3
55.01875	0.9
57.03434	1.5
58.06605	1.6
61.02925	1.3
69.03438	12.3
70.63946	1.0
70.64256	1.3
70.95796	0.7
71.04990	2.2
72.08157	4.2
73.02938	0.8
78.03461	18.4
80.05027	2.3
81.03426	20.5
84.08140	2.9
85.02435	1.1
85.02913	13.0
86.09689	4.3
91.05433	1.0
96.04496	2.7
97.02898	7.1
98.21413	0.8
99.04460	4.0
101.02386	0.7
106.02923	70.9
107.03252	1.0
109.02883	16.2
121.06516	0.7
124.03963	100.0
125.73354	0.7
127.03938	9.9
131.48233	0.7
135.04428	0.7
145.05029	1.7
151.03918	2.2
153.05487	1.1
156.06606	1.0
163.03940	1.5
166.05069	1.6
171.68747	0.8
180.06607	2.1
185.16545	2.2
198.07629	8.1
213.15941	1.0
226.82866	0.7
232.06128	5.0
250.07132	35.0
268.08179	49.9
269.08295	1.0
297.07642	0.7
347.81366	0.8
360.12967	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	359.1703
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
50.73307	0.5
53.03933	1.0
55.01867	0.9
55.05492	0.7
57.03435	0.7
59.04990	0.7
61.02919	2.1
65.75961	0.5
67.05501	1.2
69.03439	5.9
69.14211	1.6
69.14635	4.0
71.04992	0.6
73.02912	1.0
73.59179	0.5
75.00892	0.5
79.05497	1.7
81.03413	2.0
81.07056	1.2
85.02912	21.9
86.09703	2.8
87.04443	0.7
91.03980	0.6
91.05470	3.3
93.07055	6.5
95.04967	2.0
95.08620	0.8
97.02903	4.7
98.20720	1.1
99.04487	1.1
105.07041	5.7
107.05006	0.6
107.08602	18.5
109.02890	1.9
109.06514	1.5
109.10179	2.0
119.08589	2.3
121.06509	1.7
123.04449	1.0
123.11692	0.8
127.03933	4.8
131.04909	0.6
131.08611	0.6
133.10144	20.2
135.08142	0.7
135.10707	0.9
135.11711	18.7
137.06049	1.2
137.09613	1.7
143.08591	0.6
145.05014	2.6
151.11163	1.5
161.09630	11.7
179.10690	34.9
197.11749	100.0
198.12112	1.6
228.13503	0.7
359.16605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35814	3.0
66.00874	3.2
68.55385	3.5
69.07084	5.1
70.06607	6.1
71.52531	5.3
71.52900	4.2
77.45156	2.6
81.07084	3.8
88.07642	7.5
90.22392	3.0
93.07050	3.7
95.08615	4.8
101.06031	4.7
107.08603	4.0
107.80231	3.2
109.10172	4.0
120.07595	2.9
143.63600	3.1
147.07799	9.4
148.08517	4.4
149.09406	28.1
161.09390	100.0
165.05466	6.8
169.73802	3.2
179.10539	5.8
191.10464	37.5
192.11253	7.6
202.12054	8.4
262.62302	3.3
358.36899	19.2
359.07455	6.3
359.21732	9.0
359.25748	11.1
359.37161	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	359.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43314	13.5
55.05507	22.1
57.07074	12.3
62.07682	10.7
66.07222	11.9
67.05498	47.8
69.07087	26.0
70.55797	39.0
71.04964	17.1
79.05495	23.6
81.07069	95.1
85.40013	11.9
93.07030	69.1
95.08614	100.0
105.07011	55.5
107.08598	73.5
109.06529	16.8
109.10129	43.6
110.30950	12.2
111.08073	20.9
119.08601	53.7
121.10135	47.2
123.11701	18.1
131.08511	16.1
133.10143	27.8
135.11737	61.8
145.10089	36.0
147.11687	41.4
149.13286	20.2
159.11650	44.1
161.13235	38.2
173.13429	19.1
175.14827	14.4
197.01155	14.9
201.16402	20.5
203.17906	11.8
205.08603	17.9
210.99039	12.3
211.02733	61.6
213.00722	32.3
215.17934	16.3
225.56793	12.5
227.02318	68.2
229.00188	75.2
235.20378	16.3
247.01088	15.8
276.05234	14.0
283.53946	12.4
341.28299	15.1
359.07498	14.6
359.18866	91.7
359.29346	22.5
359.36902	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
55.01862	3.3
57.03416	1.6
58.06602	5.3
59.55235	1.0
61.02930	4.0
65.03931	1.7
67.05502	1.6
69.03440	7.8
69.07080	3.2
69.83997	2.6
69.84391	2.2
70.06594	2.5
71.04993	2.4
72.08165	1.2
75.68207	1.0
76.23376	1.1
79.05495	4.1
79.64702	1.2
81.03416	3.5
81.07068	4.1
84.04466	1.2
84.08138	1.9
85.02911	23.9
86.09712	21.1
87.05601	2.1
91.05497	9.7
93.07052	8.4
94.04203	1.3
95.04984	1.6
95.08607	2.1
97.02896	6.8
97.06520	1.4
98.02437	1.1
98.20826	1.8
100.23475	1.2
103.05467	4.1
105.07036	10.7
107.04953	1.7
107.08601	31.6
108.13710	1.3
109.02886	2.5
109.06514	3.3
109.10182	2.2
109.80907	1.1
114.05546	1.2
115.05457	2.2
119.04945	4.6
119.08598	6.3
121.06497	3.1
121.10147	5.3
122.03626	2.7
127.03928	4.6
131.04982	5.5
132.05701	1.1
133.06482	2.0
133.10138	20.5
135.04393	1.3
135.11742	1.6
137.05991	43.3
137.09669	1.9
139.07555	2.7
141.10211	2.5
145.04997	4.4
145.06482	2.0
147.04436	4.6
149.02451	2.2
149.05942	2.7
149.09634	2.5
151.03938	2.2
151.07574	5.2
151.11221	7.1
155.11766	2.5
160.05208	1.8
161.06018	7.0
161.09645	5.1
162.06764	2.1
163.03963	1.6
163.07553	2.4
165.01849	1.4
167.07076	1.2
167.10689	14.7
175.07571	10.3
179.07088	2.8
179.10696	18.9
183.11334	2.9
187.07498	5.4
189.09164	1.8
190.07713	1.5
191.08545	2.2
192.10159	1.3
193.08592	2.7
194.07222	1.6
197.11746	100.0
198.12093	1.5
200.13969	10.8
203.08607	2.1
205.08626	4.9
217.08607	1.1
219.08098	3.9
219.84488	1.0
228.13470	2.8
231.08202	1.4
235.07590	1.3
247.07516	2.1
248.08244	1.5
251.10469	1.4
255.06551	1.7
265.08524	3.8
270.08878	1.4
279.10199	5.1
291.10278	1.5
297.11182	2.5
299.05356	1.1
299.12857	3.0
311.12854	6.2
313.06912	3.0
323.12973	2.0
329.13760	1.3
341.06787	2.1
341.13815	3.9
359.07504	2.8
359.16751	1.7
359.20319	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	359.1702
Annotation	Loliolide beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03949	2.1
54.51894	0.7
55.01860	2.4
56.05014	0.7
57.03430	3.3
59.04995	1.1
60.04517	0.9
61.02936	4.7
63.78640	0.7
65.03928	1.0
67.05499	2.7
69.03091	0.9
69.03436	11.6
70.06594	1.8
71.04998	1.4
71.05967	1.4
72.08153	5.7
72.27052	0.7
73.02899	1.0
73.48576	0.7
79.05492	1.7
81.03410	5.4
81.07068	1.1
84.08147	4.9
85.02911	35.4
86.09227	1.5
86.09714	21.1
87.04461	2.5
87.05619	0.7
91.03972	1.8
91.05483	5.7
93.06584	0.6
93.07063	6.2
95.04989	1.2
95.06084	0.8
95.08604	1.4
97.02893	10.5
97.06527	1.4
99.04494	1.8
103.05465	2.2
105.07028	6.9
107.08605	53.2
109.02925	3.7
109.06547	1.9
109.10166	7.5
119.08593	2.1
121.06496	1.7
121.10184	1.8
123.04412	1.0
123.11688	1.0
127.03918	6.2
129.10240	3.0
130.08633	1.4
131.04909	3.0
131.08189	3.0
132.10297	0.8
133.10138	23.8
135.11703	10.2
137.05983	4.5
137.09627	7.9
137.43669	0.8
141.52913	0.9
143.11781	1.0
145.04968	7.7
145.13356	0.7
147.11319	1.6
151.11148	5.4
159.07724	2.0
161.09628	7.2
163.03984	1.3
164.07071	1.5
173.12895	1.6
175.07498	1.1
179.10683	24.4
187.07472	1.6
193.10399	0.8
197.11751	100.0
198.12022	1.2
201.12370	1.7
258.10873	1.1
260.19690	1.9
341.14063	0.8
359.16971	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	359.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.6
55.05506	6.3
57.03437	3.4
59.18441	2.7
61.02932	5.1
65.03934	3.4
69.03422	9.5
69.07059	5.0
70.06604	13.7
72.08159	51.2
73.02916	21.0
79.05503	5.3
81.03424	8.7
81.07058	4.4
83.04991	10.7
83.06109	28.4
84.04512	23.3
84.08136	11.8
85.02908	40.6
86.09710	67.7
91.01392	3.1
91.05489	8.1
93.07024	4.0
94.04195	3.8
95.04983	17.2
95.76266	2.8
97.02885	8.7
97.06536	10.1
98.28452	2.9
101.07156	3.9
103.05502	4.0
105.07057	7.0
109.02891	5.7
110.07155	3.1
115.05442	4.8
116.07112	4.0
118.08646	9.6
119.04926	4.4
122.03651	6.9
125.06002	54.1
127.03912	5.0
128.06239	4.3
129.07031	4.7
129.10197	6.4
131.04924	12.7
132.10193	18.2
133.10088	2.8
137.05991	100.0
138.09138	9.9
145.04956	10.1
147.04402	3.3
149.05983	3.5
149.07121	3.3
151.03926	67.3
151.05090	3.1
151.07556	5.6
157.06526	4.4
157.13361	5.6
160.05190	10.4
161.09669	6.7
163.06107	4.7
163.07565	10.1
167.07063	4.5
172.05205	7.1
174.06828	8.1
175.07561	44.0
175.10785	5.0
179.07063	19.7
179.08319	3.7
179.10661	9.6
182.12903	14.9
183.11244	13.9
187.07553	57.7
189.09061	16.9
191.07008	3.7
196.14476	9.2
197.08086	72.7
197.11705	10.5
197.13159	5.1
199.07571	3.1
200.13971	6.1
203.08597	6.1
208.09734	7.8
210.12395	5.1
214.15523	3.6
217.08591	11.2
219.08092	6.5
225.12363	3.6
227.07129	6.7
228.13445	8.6
231.08015	5.3
242.14949	7.9
248.08421	8.3
263.10764	5.7
265.08545	4.1
270.08878	16.2
271.09641	7.3
279.10193	8.8
283.09521	4.0
291.10214	15.5
296.10315	3.5
306.34787	2.9
311.12817	17.6
323.12817	29.3
329.13965	3.2
341.13925	11.3
341.21780	19.3
341.89667	3.6
344.18521	3.4
351.62189	2.9
359.17136	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	359.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.6
55.05499	2.8
57.03423	1.6
58.06618	3.1
68.05070	1.9
70.06598	27.6
70.56966	3.6
72.08164	18.7
77.85942	1.6
79.05515	3.9
81.03434	2.4
81.07091	2.7
84.04515	2.0
84.08151	9.7
85.02911	6.4
86.09714	21.9
91.05481	7.6
93.07053	4.0
95.04977	3.4
95.08629	2.1
96.29293	1.4
97.06526	2.2
98.06129	1.9
98.93354	1.7
98.97578	2.4
103.05478	51.3
105.07055	2.9
106.67918	1.5
107.04954	2.2
107.08606	5.0
109.06520	2.8
109.10174	1.9
115.05531	2.7
116.07186	1.7
119.04935	4.4
121.06526	3.3
121.10149	2.4
122.03680	3.1
123.04440	2.3
127.03918	2.5
127.08719	7.7
129.07074	2.8
129.10260	6.7
131.04944	100.0
133.10155	4.5
135.11655	2.4
137.05986	33.4
142.03339	2.0
143.11809	1.9
144.05731	2.1
145.04887	1.7
147.04367	2.7
149.05981	3.8
151.03932	3.7
151.07568	3.4
155.08162	5.0
159.09251	1.6
160.05103	2.0
161.06075	6.8
163.07558	27.9
164.07108	4.8
165.07303	3.1
167.07066	1.8
170.06085	1.6
175.07573	16.7
179.07091	3.7
179.10681	2.8
187.07562	16.9
189.09132	3.7
191.07065	5.9
197.11658	9.3
203.08679	2.3
208.09674	10.1
217.08669	5.0
219.08159	3.4
227.06979	2.3
231.08073	3.3
247.07582	2.3
248.08453	2.9
263.10617	3.0
266.54678	3.8
270.08823	4.0
271.09494	2.3
279.10223	2.1
291.10229	5.1
311.12875	5.7
317.55905	1.7
323.12802	7.3
333.92093	1.7
341.13959	4.6
341.27908	5.2
359.17258	9.1
360.14578	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	359.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.3
53.03945	1.6
55.01875	2.8
55.05499	2.4
56.05029	1.6
57.14977	1.2
57.85879	1.3
57.89636	1.2
61.79527	1.3
67.05524	1.4
69.03434	2.5
69.07030	1.5
70.06602	19.4
70.82486	2.8
70.82835	2.2
71.04964	2.2
72.08157	13.1
73.78726	1.3
79.05480	2.8
81.03410	1.6
81.07030	3.4
83.04978	2.0
84.04497	1.8
84.08143	8.7
85.02895	5.2
86.06010	1.6
86.09715	16.2
91.05492	6.7
93.07030	3.4
94.04157	1.8
95.04962	3.4
97.06527	3.1
98.06080	2.1
100.20412	1.4
103.04803	2.7
103.05476	52.8
105.04549	1.5
105.07043	4.0
106.19221	1.5
107.04971	2.6
107.08608	2.5
108.82804	1.3
109.06567	2.3
113.07121	1.4
115.05463	2.1
115.08740	1.3
116.07050	1.7
117.07050	1.7
119.04947	4.6
119.08559	2.2
121.06496	3.3
121.10161	2.2
122.03623	3.3
123.04424	2.6
127.08678	5.3
129.07022	2.3
129.10245	1.7
130.08672	1.8
131.04941	100.0
133.06450	1.3
133.10176	3.1
137.05994	39.0
142.03212	4.6
143.11736	1.6
145.06450	1.9
147.04428	5.4
147.07841	1.7
149.05930	1.7
151.03935	3.3
151.07567	3.0
153.03587	1.4
153.05466	1.8
155.08147	3.5
157.06503	1.5
160.05211	2.8
161.05977	5.3
162.06657	1.5
163.07567	27.1
164.07112	2.6
165.05515	1.4
166.39714	1.5
167.07112	2.3
172.05171	2.6
174.06787	3.6
175.07570	19.7
179.07028	5.3
187.07545	21.3
189.09109	3.3
189.12323	1.8
191.07010	3.5
197.11638	7.7
203.08522	1.7
205.08704	1.7
206.52417	1.5
208.09755	4.5
217.08620	5.4
219.08092	3.6
227.07021	2.7
231.08000	2.3
235.07489	1.3
248.08257	2.5
255.06662	3.1
263.10574	2.5
270.08856	5.5
271.09686	2.0
279.10086	4.1
283.09683	1.6
291.10086	7.4
311.12738	5.1
323.12793	7.4
341.13794	4.8
359.17044	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	359.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46624	3.1
57.07074	8.4
58.53401	2.8
67.05487	3.7
67.14910	2.8
70.06610	17.5
71.08616	3.5
71.52333	3.8
78.92906	3.7
82.70226	2.9
88.07632	21.0
91.05428	3.1
96.02983	2.7
102.09191	5.9
106.08664	8.1
109.10152	4.3
119.08558	3.0
122.03686	4.4
130.10619	2.9
131.04944	5.4
137.05980	37.0
138.06319	8.2
151.03912	17.0
152.04268	8.6
175.07550	9.5
179.07076	4.2
187.07516	17.1
189.09106	3.8
203.08508	4.4
217.08519	5.7
226.31830	2.7
227.07083	11.8
240.07837	4.8
241.08601	4.9
248.08357	6.0
255.06543	8.8
263.10556	4.2
269.08005	3.6
270.08865	36.7
271.09644	8.2
276.07776	4.0
277.08658	3.3
279.10037	5.7
291.10159	21.6
311.12750	4.7
323.12762	22.8
340.35831	10.4
341.13730	12.5
341.35861	3.6
350.59222	3.0
358.36823	100.0
359.14038	4.1
359.37152	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1493
Annotation	Negundin B
Peak:m/z	Relative Intensity
55.28936	3.9
60.44823	4.1
69.85098	6.6
69.85511	14.8
71.09644	3.8
86.70002	4.7
87.04450	7.9
98.21484	5.7
103.05479	9.6
117.07086	4.8
122.03606	8.2
129.07016	6.9
131.04956	14.9
132.05286	7.7
135.04459	4.4
137.05014	8.8
137.05988	100.0
138.06342	18.6
139.06447	7.0
143.08594	6.0
144.05786	5.6
150.06708	7.2
151.03905	31.8
151.07330	6.6
152.04265	16.8
163.07384	7.2
169.12862	4.4
174.06842	7.8
175.07593	17.6
177.05565	5.9
187.07568	40.5
189.09132	11.6
203.08606	11.6
205.60332	4.7
217.08659	11.1
219.08141	5.9
220.08842	6.3
227.06993	29.8
231.08101	10.3
240.07893	12.0
247.07530	5.7
248.08307	16.0
254.44180	5.0
255.06596	19.1
256.66245	4.3
263.10776	12.1
265.08667	9.0
269.08328	6.0
270.08908	60.5
271.09818	24.1
276.07770	9.1
277.08621	6.5
279.10159	9.8
283.09604	10.5
291.10175	44.1
292.10931	5.7
308.10373	5.1
311.12869	12.3
323.12823	59.4
341.14038	21.4
359.16943	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	359.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
68.53734	4.2
70.80936	12.8
81.03423	5.1
81.07054	4.1
83.14513	4.8
88.83698	4.2
91.05456	4.1
103.05470	5.2
107.08602	4.3
122.03725	4.8
129.06975	5.3
131.04933	11.7
137.05997	100.0
138.06334	8.5
151.03940	26.1
152.04266	17.6
153.04407	5.9
175.07565	18.8
187.07561	46.5
189.09071	12.4
191.08562	4.9
203.08548	7.8
211.07503	6.9
217.08606	15.8
219.08076	6.2
227.07048	28.0
231.08009	10.7
240.07800	13.2
248.08260	18.9
255.06482	22.7
263.10724	11.6
270.08929	66.8
271.09750	25.9
279.10052	5.9
283.09708	8.8
291.10141	31.9
292.10657	6.0
296.10587	7.0
311.12695	13.8
323.12802	55.4
341.13818	18.0
359.07446	7.0
359.16992	22.1
359.33685	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	359.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.1
57.03442	2.6
57.22875	1.7
58.06318	1.8
58.06600	26.8
59.06925	5.2
61.02921	3.1
63.58081	1.4
65.03938	2.3
67.05481	1.7
69.03416	6.5
69.07052	3.2
70.06572	3.7
71.52299	2.0
72.08138	3.1
79.05479	6.3
81.03416	2.8
81.07042	2.8
83.95571	1.3
84.08149	4.0
84.64307	1.6
85.02916	12.6
86.09711	27.9
87.75737	1.5
91.05485	20.3
93.03384	2.2
93.07052	7.7
94.04159	1.9
95.05000	2.6
95.08636	3.0
95.97844	1.4
97.02885	4.3
103.05473	11.3
105.03391	3.1
105.07018	12.7
107.04932	4.3
107.08592	20.9
109.02872	2.5
109.06519	5.3
115.05445	3.3
116.08826	1.2
117.07043	3.3
118.64144	1.4
119.04965	17.5
119.08596	4.7
120.89363	1.6
121.06521	7.1
121.10149	5.6
122.03614	8.1
123.08065	2.6
127.03928	3.1
128.34114	1.9
129.06947	3.3
129.10263	1.6
131.04951	15.0
132.10194	1.5
133.02846	2.4
133.06477	5.4
133.10115	11.4
135.04443	3.9
137.02339	3.4
137.05991	100.0
138.06317	4.8
139.07553	1.8
141.00098	1.8
141.10216	1.9
143.04942	3.8
144.05772	2.4
145.04898	1.8
145.06474	4.8
147.04417	12.5
147.08078	2.7
149.05988	9.5
149.09619	3.4
151.03922	3.5
151.07555	13.1
151.11192	4.4
152.07919	1.9
153.01794	1.4
155.11737	3.7
159.08057	2.9
160.05190	3.7
161.05980	19.4
161.09645	4.8
162.06732	6.8
163.07532	7.4
165.07016	1.6
165.09148	2.1
167.10721	8.7
172.05269	1.6
174.06833	3.6
175.07532	24.6
177.09152	1.8
179.07034	5.8
179.10669	12.5
183.11310	4.6
187.00455	1.9
187.07544	11.4
189.09109	4.0
190.06340	1.8
190.07855	1.9
190.09444	3.7
191.08542	4.7
193.08589	7.8
197.11740	57.5
200.13960	15.3
203.08617	2.0
205.08621	9.6
207.08028	3.1
217.08600	1.8
219.07983	7.9
221.05931	1.9
228.13454	5.8
231.08029	3.2
235.07578	2.8
236.08273	1.7
237.08936	2.7
239.10692	2.7
246.06940	1.7
247.07596	4.1
251.10674	6.1
265.08542	4.4
267.09961	2.5
270.08865	1.8
279.10266	8.6
280.10730	1.5
291.10190	5.2
296.10437	3.5
297.11203	6.1
299.05582	10.4
299.12799	7.2
300.06284	3.5
309.11151	4.2
311.12735	11.0
313.07047	46.6
314.14667	6.2
323.12607	3.0
329.13818	4.1
341.06671	10.5
341.13620	3.0
359.07657	49.2
359.15152	5.9
359.20428	50.9
362.00775	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23727	3.5
57.07053	7.6
69.07051	6.7
69.45848	3.4
69.87246	19.3
70.06600	18.0
88.07625	19.2
88.41962	3.7
103.05470	5.0
106.08670	9.0
109.06522	3.6
131.04912	9.5
137.05998	66.9
147.04405	6.5
151.03938	22.1
160.05188	4.8
161.09416	27.0
175.07558	13.2
179.06924	7.8
186.24471	4.5
187.07593	25.9
189.09108	8.6
203.08553	9.0
211.07547	4.8
217.08621	8.8
219.08179	5.3
220.08896	6.4
227.07018	27.4
231.08047	14.8
237.08954	5.1
240.07814	9.7
241.08618	5.1
247.07622	5.9
248.08337	12.4
251.10756	3.5
255.06496	26.1
259.07376	6.1
260.08179	5.6
263.10669	16.5
264.08020	4.3
269.08078	5.8
270.08871	58.6
271.09674	16.5
276.07748	5.5
279.10144	11.5
283.09558	9.8
291.10184	32.6
305.11737	5.0
308.10315	4.8
309.11224	7.6
311.12723	6.5
323.12796	47.6
329.11652	3.9
340.35614	7.1
341.13763	17.6
358.36856	100.0
359.16617	37.5
359.24271	4.0
359.37161	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	359.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73280	2.7
57.07071	7.7
58.06601	3.6
67.05493	3.8
70.06613	14.7
71.08614	4.8
71.52612	5.5
72.77821	2.9
81.07035	3.4
88.07653	18.6
89.46991	3.0
91.05466	4.0
98.37879	3.0
101.28404	3.2
102.09184	4.2
103.05451	4.2
106.08704	7.4
107.08613	2.9
109.10115	3.2
109.28169	3.0
115.05468	3.9
122.03646	4.4
124.69954	2.9
129.06993	3.6
131.04962	8.4
137.05019	4.8
137.06001	63.9
138.06313	7.3
145.06427	3.8
149.05916	3.3
150.06758	4.8
151.03934	17.6
151.07198	3.2
152.04214	6.6
163.07437	5.2
174.06641	3.5
175.07535	11.5
184.05286	2.8
187.07561	21.8
189.09164	7.4
199.07619	3.5
202.07770	3.8
203.08536	7.1
205.08577	4.8
211.07596	4.8
217.08655	4.6
219.08032	9.0
219.81422	3.1
227.07063	32.6
231.08083	5.3
236.75830	2.6
237.09215	3.6
240.07864	8.9
241.08609	5.9
247.07480	2.9
248.08344	14.2
251.10646	3.6
255.06523	27.1
260.08478	3.1
261.30072	3.5
263.10696	14.2
269.08139	3.8
270.08887	71.1
271.09668	12.4
276.07794	7.7
277.08798	4.5
279.10083	9.9
283.09610	5.3
290.09418	4.0
291.10202	35.2
292.11066	5.2
296.10596	6.0
303.10095	4.9
305.11993	4.3
308.10358	5.2
309.11215	3.1
311.12851	6.2
323.12799	55.7
340.35773	6.9
341.13879	14.7
344.13992	4.2
358.36838	100.0
359.07498	4.1
359.16614	48.4
359.21146	4.7
359.33319	4.0
359.37216	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	359.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	1.9
55.44405	1.6
56.96560	1.8
57.02460	1.5
67.05508	4.6
69.03412	1.9
70.27314	3.5
70.27716	3.4
72.08193	1.8
73.02927	2.3
76.68674	1.7
80.29321	1.8
81.07076	3.3
85.02901	2.1
85.34348	1.6
87.04464	2.8
91.05492	4.4
93.07046	2.9
94.04199	2.8
98.97610	3.5
103.05475	6.5
109.06541	1.8
109.16161	1.6
111.04413	2.0
115.05505	4.3
117.07026	2.7
119.08614	2.4
122.03654	7.1
123.04463	1.9
128.06197	2.6
129.06984	10.5
131.00154	4.1
131.04985	13.9
131.08543	2.5
133.10118	1.9
134.32904	2.0
137.06000	100.0
138.06476	1.9
143.04956	3.1
144.05696	3.1
149.01173	3.6
151.03925	6.9
151.07578	3.7
153.05487	2.4
154.20070	1.7
156.03598	3.2
156.27313	1.8
157.06532	11.7
160.05215	6.9
161.06032	2.6
163.07591	8.1
172.05193	4.4
174.06779	7.8
175.07567	37.8
177.09128	2.3
181.19286	1.8
187.07565	40.3
187.11183	5.4
189.09135	20.2
191.08629	2.4
203.08545	5.3
211.07532	3.8
217.08601	12.0
219.08087	7.1
227.07071	7.2
231.08058	7.8
232.08698	1.9
239.07036	3.5
240.08093	2.8
247.07556	5.2
248.08371	6.8
251.10742	4.8
255.06563	8.4
263.10776	8.7
264.07959	3.4
265.08612	2.2
270.08902	19.4
271.09653	8.5
276.07910	4.1
277.08728	3.1
278.14615	7.7
278.64526	2.1
279.10144	9.8
283.09735	4.1
291.10205	22.4
292.10791	2.2
296.10513	3.0
297.11292	2.4
311.12808	15.9
323.12750	25.8
329.14005	3.9
341.13907	15.5
350.16553	2.2
358.32953	3.6
358.36844	6.0
359.17422	24.9
359.67532	2.7
364.39151	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	359.0763
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.03915	0.8
65.55879	0.6
65.61991	0.7
65.99497	0.7
71.53993	1.0
79.05492	1.3
81.07050	1.6
83.04996	0.8
90.79652	0.7
93.07062	1.3
109.02905	1.3
109.06495	1.1
111.04405	1.2
121.02895	1.4
125.02349	1.8
135.04408	1.2
136.87541	0.7
137.02374	2.6
137.06012	2.1
139.03926	3.1
146.09816	0.7
147.04518	1.0
149.02347	3.1
149.76138	0.7
151.07518	0.8
153.01788	3.5
163.03947	1.4
165.05469	12.6
165.06696	1.0
203.03566	1.0
212.04912	0.7
213.05545	1.0
215.07072	1.1
215.55072	0.7
242.05775	1.0
243.06543	1.5
245.04434	1.1
259.06076	0.8
273.04022	1.5
275.09155	1.5
285.03726	1.1
287.05618	2.4
301.03537	3.2
313.03391	0.9
315.05087	4.2
316.05634	0.9
327.04877	1.7
329.02908	4.2
329.06363	1.3
331.08231	3.1
343.04541	2.7
344.05316	2.4
359.07635	100.0
360.07986	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1127
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
53.45601	0.3
70.47066	1.2
73.69642	0.3
76.25365	0.3
79.21692	0.4
84.00291	0.4
93.07030	0.6
95.08611	0.4
96.18997	0.3
101.22997	0.4
107.04944	0.8
121.06482	0.4
135.04478	0.4
137.02393	0.4
149.05997	1.2
151.03990	0.4
151.07555	2.9
152.01038	0.4
152.67043	0.3
153.01875	0.9
162.06819	0.5
163.07491	0.4
164.08368	3.6
165.01833	0.5
165.05504	1.6
166.99875	0.4
181.01366	1.3
204.72353	0.4
227.07001	0.4
269.04556	0.6
270.05383	0.7
271.05954	2.6
281.04611	0.4
282.05298	0.9
283.06073	1.1
286.04782	1.0
286.08359	0.7
297.04022	0.8
298.04883	0.7
298.08502	0.9
299.05536	8.9
300.06433	2.1
301.07025	1.7
311.05536	2.2
313.03690	0.4
313.07184	1.0
314.04276	1.9
314.07971	1.3
315.05115	1.5
315.08636	17.4
326.07913	0.9
327.05023	5.7
327.08728	3.8
328.05777	5.1
329.06546	2.4
330.07324	3.8
331.08148	0.5
341.06793	0.5
343.08170	37.7
344.05447	0.9
344.08942	19.9
359.07599	7.8
359.11331	100.0
360.08105	0.8
360.11823	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34824	23.7
63.84496	24.0
66.08108	29.8
67.69517	21.2
69.07056	33.2
70.10389	100.0
70.78042	26.3
73.61306	24.3
81.07043	28.7
84.50014	25.1
91.93032	26.1
93.07043	45.4
95.08596	27.0
98.21404	48.3
115.61879	24.5
137.05984	34.7
137.37584	23.8
165.05324	26.1
178.75932	25.1
255.95760	27.8
358.27249	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	358.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50673	29.0
69.54240	93.7
69.54653	80.3
70.06615	38.2
79.05471	35.7
81.07070	38.9
93.07053	49.5
98.20800	68.7
151.06343	34.3
151.07567	100.0
152.07933	46.5
254.49252	31.8
315.40530	33.5
358.13782	53.3
358.26123	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2014
Annotation	Laudanosine
Peak:m/z	Relative Intensity
56.91181	0.5
58.06607	79.4
60.49021	0.5
67.10233	0.5
71.07368	0.7
72.47334	0.5
76.40931	0.5
91.05489	2.4
94.04238	0.7
98.21503	1.5
107.04987	0.5
115.05507	1.2
119.04933	0.8
122.03693	1.2
137.05989	31.5
143.04939	2.2
144.05664	0.6
145.06541	1.0
151.07553	9.7
153.27621	0.5
158.07286	5.1
159.04428	0.8
159.08060	1.1
163.07549	4.2
165.09152	2.2
174.06802	5.9
175.07571	3.1
176.08334	1.0
177.09131	1.0
189.09129	16.8
190.12303	1.4
192.10262	1.5
198.24739	0.5
206.11739	4.3
207.12601	2.0
221.14308	0.7
251.10678	0.6
265.01804	0.6
267.10168	1.6
281.11725	1.3
282.12534	2.9
283.09760	0.7
283.13235	0.7
286.11935	0.6
298.12134	2.0
313.14349	10.9
315.15884	3.9
343.17975	0.8
358.20145	100.0
359.20407	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2016
Annotation	Laudanosine
Peak:m/z	Relative Intensity
58.06605	16.5
59.06944	2.2
59.07174	0.7
60.15204	0.4
60.88692	0.4
69.25224	0.8
69.25633	3.2
70.01982	0.4
72.08164	0.6
79.05485	0.9
79.94866	0.4
86.09718	5.4
91.05473	1.6
93.07046	0.9
105.07013	1.1
107.04961	2.6
108.05683	0.6
115.05412	0.5
117.07004	0.4
117.85963	0.4
119.04933	0.5
121.06505	1.5
129.06970	1.2
131.08574	0.6
132.10213	1.1
133.06427	0.6
135.04413	0.9
136.05165	1.6
137.05966	4.1
139.07509	0.7
143.04910	1.0
144.05707	1.6
145.06508	0.8
145.08858	0.7
146.07240	0.8
150.06783	2.5
151.07553	35.5
152.07848	0.5
157.47066	0.4
158.07286	8.0
159.04433	1.7
159.08041	0.8
161.08446	0.4
162.09119	2.3
163.07562	1.1
165.09134	6.5
173.08403	0.5
174.06781	8.0
174.09111	0.9
175.07492	0.9
177.07806	0.6
179.10706	0.5
188.10660	0.5
189.09126	22.4
190.08624	7.1
191.09352	3.8
191.10789	0.4
192.10138	1.5
199.18100	1.0
206.11775	100.0
207.12178	1.3
209.09686	0.5
227.17609	0.6
237.09055	0.5
238.09520	0.7
239.09770	1.3
242.08540	0.5
255.09508	0.5
265.08521	0.7
266.09045	1.2
267.09189	3.7
269.11353	0.5
280.10825	1.0
281.11481	3.8
282.08508	1.0
282.11511	6.8
283.08780	3.4
283.13593	0.6
284.13998	0.7
295.13147	0.5
296.14136	3.9
297.11111	2.0
297.14215	0.6
298.11102	4.6
298.56311	0.4
300.13696	0.5
304.94455	0.4
312.13449	2.2
313.13483	7.4
315.15961	1.0
327.15894	6.0
340.21033	0.4
358.20032	69.1
359.20404	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1654
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
55.08554	0.2
56.05037	0.4
58.06607	58.5
60.04524	0.3
70.06599	1.2
70.43581	0.7
72.08162	9.7
81.03431	0.3
83.91868	0.2
84.08159	0.6
86.09718	0.4
88.07652	0.3
95.99080	0.3
107.04948	0.2
116.55446	0.2
120.09272	0.2
124.04021	0.3
139.05035	0.2
145.02866	0.2
159.00183	0.2
177.76207	0.2
195.04361	0.3
199.07613	0.3
207.08057	0.5
210.06844	0.4
212.04752	0.5
220.05298	0.2
221.05980	0.5
223.03951	0.5
225.09184	0.7
227.07098	0.8
235.07605	0.4
237.05478	0.3
237.09073	0.4
238.06308	0.9
243.06584	0.4
252.07945	0.3
253.04776	0.2
253.08676	2.0
254.09372	0.2
255.06552	0.9
257.07947	0.2
263.07010	0.7
266.05725	0.3
268.66803	0.2
269.08136	0.3
271.06039	0.4
281.08136	2.6
285.07626	1.2
285.11032	0.5
286.08432	0.9
295.09760	0.7
298.08377	0.9
313.07269	0.4
313.10718	4.4
340.21240	0.3
343.10287	0.3
343.14120	0.3
358.16516	100.0
359.16888	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1651
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
54.04206	0.4
58.06604	3.0
60.04517	0.5
61.36009	0.3
62.44507	0.3
67.05491	0.7
69.07074	0.5
70.06600	4.3
70.82581	0.5
70.82942	0.7
72.08157	2.8
74.06096	0.5
84.04480	1.1
84.08152	1.0
85.02924	0.3
86.09711	1.1
91.05482	0.9
94.39156	0.3
95.06089	0.5
102.04663	0.6
107.08578	0.4
109.02843	0.7
112.69682	0.4
119.04943	1.4
120.05703	0.3
124.05220	8.7
124.07576	0.5
129.10236	0.4
135.06805	1.6
136.07576	7.4
137.05989	9.1
147.04410	3.7
148.07596	0.4
149.08362	1.0
150.06773	1.2
150.09180	2.1
152.08308	2.7
162.06795	5.9
162.09103	0.4
164.07074	71.4
165.07765	1.2
176.07063	2.6
178.08640	4.6
179.03447	0.7
180.07814	3.4
180.92418	0.4
190.33855	0.4
206.08128	4.9
210.16052	0.5
213.63177	0.4
217.11902	0.7
224.10706	1.1
252.10075	0.7
252.19501	0.4
253.10988	0.8
267.12357	0.4
282.11349	0.9
284.12808	1.5
296.12735	1.2
297.13773	0.5
308.18219	0.4
315.14502	0.7
325.13098	5.7
343.14172	27.6
358.16501	100.0
359.16791	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71258	0.6
58.06615	5.8
65.03932	0.9
67.05484	0.8
69.07056	0.9
69.45398	0.6
70.06586	0.8
71.30271	0.6
71.30637	0.9
73.35301	0.6
78.04721	0.7
89.03922	5.7
91.05479	8.2
91.55322	0.6
95.04987	1.9
105.03395	2.1
105.07046	0.8
107.08537	0.8
109.25903	0.6
110.07106	0.9
117.03391	16.8
119.04967	6.4
121.06533	1.0
134.03638	1.3
135.04437	2.7
136.05183	0.9
137.06021	2.1
145.02855	50.3
149.02466	0.6
149.05992	6.8
151.03931	1.8
151.07555	15.0
152.04218	1.1
159.08078	1.3
163.03870	0.7
163.07687	0.7
164.10701	1.1
165.05403	1.0
166.05869	0.9
175.07259	0.9
177.05487	100.0
178.05869	0.8
182.11798	7.8
186.05516	1.2
189.09123	1.5
190.08661	2.3
216.10219	1.0
270.08948	0.9
340.12439	2.4
340.15497	2.8
358.16626	14.3
358.20245	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1649
Annotation	Orientinine
Peak:m/z	Relative Intensity
51.02364	0.6
53.03951	4.4
54.80708	0.5
55.01871	0.7
55.05513	1.0
58.06602	5.3
69.59175	2.6
70.06595	0.6
71.04988	1.6
76.67490	0.5
77.03922	0.9
79.05472	0.6
81.03413	0.9
81.07051	1.0
86.09715	1.2
87.04469	0.5
91.05467	2.4
93.07048	4.8
95.04987	4.5
99.04466	2.3
103.05458	2.6
105.03396	100.0
105.07035	1.1
106.03719	0.6
110.03209	0.5
117.05541	2.4
117.07018	1.3
121.06509	47.2
131.04958	0.6
133.06511	0.7
137.05975	1.4
138.06325	0.7
139.03877	0.5
145.06514	1.6
147.04425	1.0
151.07545	1.3
155.31258	0.5
158.07271	0.8
163.07585	0.6
165.05431	0.8
173.09615	1.9
175.11176	3.4
177.05531	0.8
189.09096	1.8
201.09109	3.1
201.93596	0.5
202.09511	0.7
206.11836	1.5
219.10216	1.9
220.07069	0.5
221.08087	1.9
225.09087	1.9
237.11212	0.5
242.11746	4.3
266.11761	2.6
270.24411	0.4
282.11667	0.6
285.10486	0.6
294.14771	0.6
296.16461	18.8
297.10861	0.5
298.11276	0.7
310.14471	1.5
322.14468	6.3
340.15485	26.3
347.07748	1.4
358.13510	0.5
358.16473	4.0
358.20270	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.2
69.03440	2.1
70.06589	10.2
70.09740	1.2
71.51020	1.7
72.08140	3.3
82.06599	1.4
82.75417	1.1
84.08150	40.6
85.08480	8.0
86.06056	3.0
87.04483	2.0
97.76833	1.1
98.97552	3.4
99.97958	1.2
104.07117	4.4
112.07570	1.4
116.07099	2.6
116.98656	1.2
130.08623	6.5
168.05093	2.6
170.06743	1.2
171.51321	2.1
174.06114	2.9
175.00967	1.3
186.06190	5.0
188.07735	3.5
196.03728	90.4
196.09688	4.6
212.07730	2.0
213.07242	5.9
228.05420	6.2
229.05846	8.7
230.08817	1.6
231.08252	14.7
243.08284	4.1
243.10417	1.5
246.06604	3.8
247.06860	4.3
261.09341	5.0
266.05301	1.4
284.06296	2.1
286.13077	2.2
298.11194	1.3
316.09158	1.9
316.12708	3.8
328.08997	1.6
344.08246	1.9
358.09030	100.0
358.30710	3.6
359.09470	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1651
Annotation	Thaipetaline
Peak:m/z	Relative Intensity
53.03930	1.1
58.06593	0.9
65.03941	0.3
66.04713	0.6
69.03426	0.4
70.06590	0.3
70.64394	0.7
77.03938	0.5
79.05140	0.2
79.05503	2.8
81.07047	0.5
92.02591	0.3
94.04191	1.9
95.04955	1.1
96.15423	0.2
98.03668	0.5
105.03402	0.5
105.04503	0.6
109.02879	0.5
109.06545	2.0
109.10164	0.3
121.02841	0.4
122.03648	2.3
126.03136	0.7
135.04449	0.3
137.05997	1.8
141.05453	0.3
151.03958	0.3
151.07506	0.4
155.07042	3.3
158.69612	0.3
165.05486	100.0
166.05835	0.7
200.68352	0.2
205.07295	0.3
220.09727	0.5
243.40457	0.3
275.20166	0.2
358.16547	20.9
359.07520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.3
57.07087	11.0
58.06595	7.6
63.95831	2.0
64.19301	2.1
67.05499	9.1
69.07076	12.5
69.37650	10.0
69.38060	5.0
69.65344	2.1
71.05000	3.6
71.51541	2.1
74.47837	1.6
79.05492	2.8
81.07066	42.8
83.08648	4.2
88.63876	2.2
90.48067	2.0
93.07059	4.9
94.25249	1.8
95.08615	16.8
98.06079	10.7
107.08608	3.2
109.10178	2.5
119.04967	2.1
123.11723	44.3
131.04922	2.4
133.10161	2.2
135.69846	1.9
137.05966	3.6
138.06252	2.2
139.03897	8.2
150.50221	2.0
151.03949	2.9
151.11102	2.9
154.12210	3.8
168.13817	2.2
169.12280	5.1
187.13193	2.4
211.16965	5.3
224.20067	3.0
242.21178	55.8
285.89050	2.0
312.25363	100.0
342.59109	2.0
357.24347	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	358.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	6.1
69.03435	2.7
70.06598	18.2
70.25889	2.2
70.73723	5.0
71.05006	2.9
72.08151	6.8
81.03403	2.3
81.07090	2.1
84.08157	8.9
85.02916	7.7
86.09695	6.6
97.96321	2.1
98.21516	2.3
98.97598	2.8
107.04896	2.2
112.80861	1.9
129.10266	4.1
136.07600	3.0
147.04460	3.5
163.03876	3.6
169.84851	2.6
178.05067	2.7
188.05887	2.7
196.03732	100.0
196.05899	3.9
232.04909	2.3
236.30614	2.2
263.17764	2.2
281.74661	2.1
340.17426	2.8
348.25299	2.0
358.09027	93.6
358.19315	10.2
359.09174	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	357.3003
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03936	5.5
55.05313	3.8
55.05520	50.9
57.03436	8.3
57.07088	35.6
58.06591	10.5
67.05512	74.3
68.53696	4.7
69.07076	100.0
70.32719	6.9
70.33092	6.6
71.08643	24.2
75.04469	3.6
79.05502	34.7
81.07064	82.0
82.73804	3.9
83.08620	58.8
85.10188	8.7
87.04479	31.7
91.05465	9.8
93.07053	53.4
95.08607	81.5
97.06544	21.9
97.10182	41.7
105.07057	4.1
107.08597	44.4
109.10178	39.7
111.08079	8.1
111.11714	16.1
115.48688	3.7
121.09331	6.7
121.10153	80.5
123.11732	12.1
125.09627	8.2
133.10217	5.9
135.11710	60.5
137.05981	34.0
137.13283	7.4
139.11131	3.9
145.10103	5.3
149.13264	28.8
151.03947	26.2
151.14812	8.5
162.70789	3.6
163.14781	8.8
165.16399	8.7
177.16406	5.0
191.17946	4.9
194.89085	4.8
205.06438	3.9
205.19540	5.1
247.24229	90.4
265.25287	93.9
276.31570	4.5
283.26511	5.4
325.65521	4.3
339.29028	61.7
357.13220	9.2
357.19080	4.9
357.30914	8.2
357.35675	17.3
358.23572	6.5
358.36487	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	357.3002
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.96352	2.6
55.01885	2.7
55.05272	4.2
55.05519	66.6
57.03435	12.0
57.07086	41.7
58.06598	9.0
59.13350	2.9
65.76475	2.5
67.05178	5.3
67.05513	67.8
69.07074	97.1
69.51292	12.3
69.51700	5.1
71.04984	2.7
71.08628	26.4
77.26137	2.5
79.05503	36.2
81.07069	81.5
83.08624	63.0
85.06567	4.4
85.10207	16.2
91.05486	6.6
93.07050	52.3
95.08614	88.3
97.06542	21.8
97.10182	41.6
99.08094	3.4
103.03957	3.1
107.08611	36.4
109.10155	43.6
109.61489	2.6
111.08118	14.7
111.11716	15.7
121.10156	74.9
123.11717	10.9
125.09692	7.3
125.13281	5.5
135.11723	56.4
137.13313	6.4
139.11221	8.1
147.11702	3.9
149.13278	31.5
151.14853	8.5
153.12692	6.3
157.12213	4.4
163.14825	10.1
165.16425	11.7
177.16470	7.8
182.90981	2.9
191.18013	4.1
195.17374	2.8
205.19627	3.5
213.18532	3.1
247.24234	72.6
247.31760	2.7
265.25287	100.0
275.86298	2.9
283.26245	9.0
339.28973	88.7
350.05740	2.7
357.15201	7.1
357.30084	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	357.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29660	2.2
51.61244	2.5
53.03942	3.2
55.05512	56.9
57.03441	19.0
57.07080	43.8
58.06598	11.4
62.02735	2.8
67.05142	3.0
67.05507	69.0
69.07071	100.0
69.81451	13.0
71.04979	5.4
71.08643	26.7
79.05496	35.7
81.07060	80.9
83.04963	3.1
83.08623	70.8
83.09126	4.4
85.10188	13.3
91.05470	6.3
93.07048	52.8
95.07999	4.8
95.08608	91.7
97.06529	19.5
97.10176	53.3
99.08099	4.1
101.06026	5.6
103.03941	3.2
104.37327	2.6
104.99908	2.4
105.07070	4.6
107.08607	41.2
109.10163	41.3
111.08057	10.8
111.11731	16.5
119.08655	3.3
121.09328	5.4
121.10157	74.9
123.11742	17.9
125.13245	6.4
129.05484	2.7
135.11687	59.6
137.13225	6.8
139.11177	4.5
143.14403	3.2
149.13278	25.2
151.14819	10.7
153.12801	3.8
157.54390	3.1
160.27348	2.8
163.14824	11.3
165.16402	7.6
167.14366	4.8
172.61897	2.7
177.16418	9.8
191.17952	4.1
199.16917	2.8
227.20250	2.6
235.04128	2.4
235.65732	2.6
247.24239	78.6
265.22424	4.4
265.25287	89.3
283.20416	2.5
283.26596	5.9
315.74701	2.5
339.28967	76.1
357.15100	6.0
357.30072	7.4
359.58984	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	357.3
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72307	1.2
53.03943	2.0
55.01875	2.0
55.05274	2.2
55.05517	31.8
56.05838	1.6
57.03428	5.5
57.06830	1.7
57.07084	20.0
63.59322	1.2
67.05179	2.2
67.05511	30.5
69.07074	41.6
70.06604	7.3
70.07425	2.0
71.04995	2.5
71.06934	2.7
71.08641	8.5
71.10847	1.8
71.11179	2.3
76.25518	1.5
79.05494	16.6
79.57729	1.3
81.06587	2.3
81.07060	36.9
83.04956	2.2
83.08620	29.5
85.06542	1.7
85.10174	5.7
88.07640	12.2
89.07963	2.1
90.92361	1.4
91.05442	2.5
93.07053	25.1
95.08618	32.3
97.06538	8.9
97.10179	17.4
98.06046	2.0
102.09192	3.0
103.03948	1.5
105.07037	2.8
106.08671	6.5
107.08588	14.4
109.10172	20.4
111.08097	4.5
111.11710	8.1
115.05427	1.5
119.08544	1.6
121.10159	33.1
123.11724	8.1
125.09572	2.8
125.13271	2.5
129.05472	1.5
135.11705	28.3
137.05962	10.8
137.13268	3.1
139.11205	2.9
147.11737	2.3
149.13286	12.3
151.03957	9.3
151.14832	5.1
153.12784	1.4
163.14815	3.3
165.16377	3.2
169.63718	1.3
177.16422	4.0
191.17966	3.0
205.19540	2.0
247.24228	31.8
265.25281	31.2
283.26462	3.5
321.11249	1.3
335.20389	1.6
339.12103	1.7
339.28998	27.7
339.34528	4.7
357.13562	2.4
357.26120	3.5
357.30429	3.2
357.35626	100.0
374.54211	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
55.01866	1.1
65.03940	1.6
67.05511	3.8
68.84759	0.3
68.99804	2.0
69.07076	5.2
72.85652	0.3
76.74277	0.3
81.07069	0.4
83.04977	0.8
91.05481	1.1
93.03412	2.8
95.04973	2.3
97.02886	0.3
103.05473	1.7
103.64242	0.4
111.04451	2.2
119.04961	0.7
121.02885	0.5
121.64228	0.3
123.04445	0.6
131.04944	6.7
135.04456	0.4
137.02373	0.7
137.06003	2.4
138.39265	0.3
139.03917	100.0
140.04314	0.4
150.97844	0.3
151.03897	1.4
151.07558	10.9
161.05922	0.3
163.07565	3.9
165.05513	2.8
175.07600	0.4
187.07635	0.3
207.10185	0.8
210.06995	0.3
219.13835	0.4
226.06308	0.5
241.08615	0.5
269.08185	1.9
289.10767	5.3
321.11124	0.5
357.13327	0.8
357.17123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2639
Annotation	Ligantrol
Peak:m/z	Relative Intensity
55.05522	15.7
57.03442	1.9
57.07070	5.3
58.06593	7.3
67.05511	22.0
69.03438	4.2
69.07075	29.8
69.26904	13.5
71.04988	10.0
79.05508	7.8
81.07066	100.0
83.08635	11.1
85.06542	5.7
91.05485	5.9
93.07047	19.8
95.04974	8.6
95.08616	37.9
97.06522	14.2
97.10168	8.1
99.08106	3.6
105.07003	3.2
107.08607	9.3
109.06530	2.6
109.10174	10.0
111.08069	3.9
121.10171	3.4
123.11722	80.9
124.99147	2.0
133.10138	5.0
135.11687	8.6
135.13341	2.0
137.06017	3.7
151.03871	3.2
151.11214	27.2
153.12761	30.4
159.11705	1.9
169.12276	25.4
171.13805	6.1
187.13281	17.6
293.24689	4.8
303.23160	8.2
321.24271	41.3
334.19418	2.9
339.25168	9.8
357.19641	2.2
366.01389	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1334
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
60.07397	5.2
67.91178	5.5
71.52627	9.2
72.82893	4.9
79.05496	8.6
91.05460	5.7
94.37064	4.9
103.05475	7.5
108.97452	6.0
115.05425	6.2
129.07018	14.2
131.04915	12.3
135.04427	100.0
137.05992	81.8
145.10052	5.5
147.04430	12.9
149.02324	15.2
149.06032	9.6
150.02744	6.9
151.02847	8.1
151.03937	35.3
151.07561	10.1
152.04285	5.7
152.36838	5.1
157.06418	13.2
161.06018	10.1
172.05225	6.5
173.06047	11.9
174.06685	5.7
175.07579	13.8
177.05513	7.9
187.07550	45.0
189.09128	15.0
202.07832	5.5
203.08615	16.1
209.05978	5.3
211.07469	5.6
217.08618	8.7
219.08089	9.7
225.05453	21.8
226.09953	8.7
231.08031	27.6
238.06203	9.8
239.07022	7.2
248.08286	10.5
251.10699	7.4
253.05008	19.9
261.09116	17.5
263.10782	9.5
268.07309	60.7
269.08066	27.5
279.10315	7.8
281.08154	13.2
282.60550	5.7
289.08582	30.1
291.10138	16.6
305.08075	5.8
306.08969	15.1
309.11234	19.8
321.11194	70.5
337.31253	5.9
339.12106	30.3
357.13281	30.0
368.83499	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	357.1337
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
52.02687	0.2
53.03963	0.2
55.01876	0.4
58.06600	1.4
65.03933	0.7
66.04723	0.2
67.05516	0.5
69.14871	0.2
70.06615	0.2
70.77633	0.4
71.05010	0.2
77.32356	0.2
79.05499	0.9
79.05926	0.2
81.03419	0.5
81.07052	0.4
86.09692	0.4
91.05487	0.8
94.04200	1.9
95.04983	0.4
103.05456	0.2
107.04948	0.4
108.02099	0.6
109.06536	0.4
111.84438	0.2
115.05483	1.2
117.07047	1.0
122.03658	6.7
123.04434	0.2
128.06253	0.3
129.06973	0.4
131.04939	0.4
135.04430	0.2
137.05986	100.0
138.06297	0.8
141.05463	0.3
143.04936	6.6
143.05988	0.4
145.06488	0.6
151.03918	22.0
151.05019	1.9
153.05467	0.5
153.73225	0.3
157.06448	0.5
161.05933	0.3
163.07532	0.2
165.05501	0.8
171.04417	0.2
172.03967	0.8
172.05292	0.3
173.53900	0.2
174.06693	0.2
175.07521	1.7
177.07838	0.7
178.08249	0.6
187.07599	0.5
189.09129	0.9
191.07097	0.3
191.08897	0.3
192.10216	3.6
193.10567	3.8
199.06528	0.2
203.07047	2.4
204.06525	1.6
205.08618	2.6
207.08141	0.3
215.07018	0.3
219.08092	0.4
229.86456	0.2
235.07607	0.2
247.07500	0.3
254.46504	0.2
263.07083	0.3
264.07883	0.2
267.10153	0.3
277.08545	0.2
279.10059	0.3
289.08795	0.4
293.07895	0.3
295.09555	0.2
307.09650	0.5
311.12646	0.4
321.11267	1.2
327.12292	12.2
339.12442	1.4
357.13306	30.5
357.18753	1.3
358.13596	0.6
358.20114	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1336
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
55.01875	11.9
58.06598	6.2
65.03941	4.3
70.68839	4.3
70.69193	5.9
72.42863	2.3
79.41749	2.6
81.07074	3.0
91.05499	6.4
94.04199	6.8
95.04957	2.4
103.05487	3.2
105.07033	4.4
109.06551	5.1
115.05463	3.0
122.03671	9.1
125.06030	3.3
131.04945	7.0
133.06448	4.0
137.05995	100.0
143.04971	7.4
146.03679	3.5
147.04451	6.9
151.03920	10.1
151.05058	3.5
151.07620	3.4
153.05487	5.7
155.04895	4.3
159.07999	2.7
160.05252	3.7
161.05994	16.6
165.05519	18.2
165.06824	4.7
171.04556	2.9
175.05998	3.2
175.07645	7.5
177.05537	10.4
178.07832	3.8
179.08577	2.6
183.04555	3.0
187.07582	4.7
189.07033	6.0
190.07828	7.1
191.08574	9.8
203.07089	8.1
206.07298	4.0
207.08115	9.7
208.08806	4.3
215.07031	8.6
217.06474	3.8
218.07339	13.8
219.08031	16.2
229.06363	4.3
234.06865	9.3
235.07561	13.7
236.08388	6.6
237.09117	3.4
245.05722	2.8
246.06863	14.0
247.07619	25.9
248.08258	4.1
249.09105	13.0
251.07188	5.4
251.10663	3.3
257.06000	5.8
261.09164	22.4
262.06326	6.2
263.07028	11.7
263.98944	2.6
264.07883	10.3
265.08582	6.1
267.10199	3.4
274.06265	8.6
275.07080	14.3
277.08658	17.5
278.09369	7.3
279.07065	2.3
279.10156	12.4
281.08286	3.4
281.11331	3.1
289.08627	33.4
290.09427	6.1
292.07172	3.1
294.08966	7.0
295.09592	4.9
306.09018	10.7
307.09668	63.3
309.08249	3.1
309.11160	14.9
310.11713	3.2
311.12833	3.6
321.11270	47.4
327.12231	20.1
339.12384	31.1
357.13385	9.0
357.18182	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	357.1334
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
56.95084	16.3
58.06604	97.9
81.07025	19.9
91.05495	17.4
93.07073	17.9
95.08634	17.2
135.04416	100.0
137.05975	70.7
149.06007	21.3
151.03903	26.6
151.07512	19.3
152.07809	18.2
157.06430	21.4
165.05495	49.7
187.07596	41.1
189.09169	23.6
213.08980	17.6
225.05533	27.6
268.07300	41.2
269.07974	36.5
289.08600	27.6
291.10254	21.3
321.10986	52.0
339.12097	30.2
357.13483	29.3
361.95316	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	357.1336
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
50.36512	1.8
52.79280	1.6
55.01881	20.9
55.05521	1.9
58.06602	18.3
60.52404	1.8
65.03944	2.9
65.39803	1.7
67.05492	2.1
69.07064	2.1
69.40475	7.5
69.40898	6.8
72.08147	2.7
76.56748	1.8
79.05495	8.2
81.03452	2.6
81.07075	5.3
91.05481	11.7
93.03405	5.7
93.07047	3.7
94.04197	7.0
95.04993	2.4
95.08618	2.9
98.21594	2.2
103.05479	10.4
105.03410	2.0
105.07022	6.7
107.04974	4.4
107.08592	2.5
109.06520	4.2
111.04455	6.0
115.05468	7.1
117.03396	7.3
119.04981	3.6
122.03640	16.3
122.50246	1.9
123.04414	3.7
125.06030	5.0
128.06163	1.9
129.81697	1.8
131.04926	9.8
133.06511	5.1
134.03683	2.2
134.06049	4.6
135.04448	6.8
137.05989	96.7
137.09673	1.9
137.19322	1.9
139.03854	2.7
143.04927	6.7
144.05724	2.8
145.02847	5.7
146.03606	6.6
147.04413	9.0
149.02361	2.0
149.06012	5.9
151.03920	8.3
151.07538	6.8
153.05537	3.7
155.04942	5.4
160.05255	3.2
160.07587	2.3
161.05974	22.3
162.06776	5.5
163.03900	2.6
163.07552	3.8
165.05501	65.1
165.06888	5.2
166.07782	1.8
171.04451	3.3
172.05220	4.3
173.06041	3.3
175.07559	8.1
177.05499	23.5
177.06920	3.1
178.05930	4.0
178.07681	2.5
179.08585	4.3
181.06567	2.5
183.04445	2.5
187.07565	7.2
189.05505	2.6
189.07060	8.0
189.09088	1.8
190.07808	10.4
191.08556	14.7
193.06584	1.9
195.06439	2.9
200.04785	2.5
201.07092	2.8
202.07767	4.5
203.07085	10.3
205.06566	5.2
205.08612	5.2
206.07263	3.8
207.08034	13.0
208.09021	3.3
209.05940	2.0
215.07053	11.3
217.06531	6.2
218.07300	25.6
219.08090	36.7
220.08813	4.5
221.06018	5.5
222.06792	2.8
223.07446	3.4
229.06487	8.9
231.08076	3.3
233.09656	4.2
234.06734	9.2
235.07574	16.1
236.08374	11.9
237.05519	2.9
237.09097	3.3
245.05968	3.8
246.06827	23.1
247.07558	30.9
248.08290	7.9
249.05301	2.5
249.09171	10.5
250.06287	3.0
251.07091	7.0
251.10681	6.7
253.08647	2.4
257.05951	9.4
258.06598	2.1
259.07648	3.3
261.09143	35.0
262.06296	4.9
263.07138	17.5
264.07791	21.2
265.08612	8.1
266.05960	1.8
266.09177	3.6
267.10150	6.9
269.08252	4.2
274.06192	17.0
275.07028	18.3
276.07730	4.8
277.08621	25.2
278.09399	8.7
279.06680	4.4
279.10156	15.3
280.07507	2.3
281.08145	3.3
281.11334	3.2
282.08545	2.5
289.08630	59.3
290.09372	8.3
291.06546	7.1
292.07288	6.4
292.10941	1.8
293.08096	2.2
293.11591	2.2
294.08865	6.4
295.09561	9.2
296.10522	2.5
297.11005	3.4
305.08197	2.1
306.08856	15.2
307.09674	100.0
308.10434	3.6
309.07855	4.4
309.11172	18.4
311.12784	5.5
312.09677	2.9
312.13046	3.7
315.37930	2.1
321.11221	85.5
324.09866	4.1
325.10559	2.3
327.12296	30.7
339.12292	55.8
340.13089	2.1
357.13437	19.2
357.19107	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	357.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
55.05514	0.5
58.06605	55.7
59.06308	1.3
59.06942	9.0
59.07231	1.0
59.47305	0.4
65.03945	1.1
67.05515	3.5
68.99806	0.8
69.03443	1.3
69.31173	3.5
70.06593	0.5
71.01341	0.8
71.05016	0.4
72.08138	0.4
79.05513	1.7
81.03434	1.1
81.07063	10.9
83.04990	1.6
84.04520	0.7
85.02911	0.6
85.06558	0.7
86.09733	0.7
91.05502	1.4
93.03426	0.5
93.07055	1.3
95.08610	6.6
97.02904	0.5
102.05569	0.5
105.07034	0.8
107.04965	0.8
107.08656	0.7
109.02903	1.5
109.06519	1.1
109.10154	2.2
111.04458	3.1
113.02382	0.5
115.05450	0.7
117.03410	1.1
119.04990	0.5
121.02888	0.4
121.10139	0.6
123.04455	0.6
123.11719	15.3
125.02340	0.8
127.03909	0.7
129.07008	0.6
130.05069	0.5
131.08594	0.6
133.02895	0.7
133.10129	0.6
136.05238	0.5
137.05977	2.6
139.03909	22.6
145.02876	1.8
145.06493	1.1
147.04443	0.6
149.06105	0.8
149.09647	0.6
151.03952	2.6
151.07549	5.8
151.11201	1.8
153.05476	0.9
157.06471	2.9
158.07288	2.3
159.08029	1.2
160.07573	0.9
161.06007	0.8
163.03853	0.6
163.07549	0.6
165.09160	0.4
166.07338	0.4
167.12544	0.4
172.08882	1.1
172.86922	0.4
173.06059	1.2
173.09525	0.5
174.06784	0.7
175.03973	0.5
175.07539	0.5
177.05495	7.6
177.09096	0.5
178.07835	0.4
179.06981	0.6
179.08485	0.5
181.06601	0.4
181.09874	0.4
182.07291	0.4
183.07948	0.5
186.06744	0.7
187.07565	1.8
188.08351	3.7
189.05464	0.9
189.09108	3.2
191.08609	0.8
191.10590	0.5
192.08871	0.6
193.10503	0.6
194.07100	0.5
195.08189	1.5
201.09131	23.4
202.09904	4.9
203.10678	4.9
205.06520	0.5
206.07123	0.8
207.08237	0.9
208.08455	0.9
209.09448	1.0
210.10184	0.7
211.07571	0.6
213.09230	1.3
214.09799	0.6
218.07095	0.6
219.08109	0.9
220.08572	0.8
221.05919	0.4
221.09541	1.0
222.06519	1.1
222.09981	0.7
223.07471	1.0
225.05524	0.8
225.09103	1.1
226.06009	0.5
226.09587	1.7
231.10179	2.5
233.05966	0.5
234.06493	1.9
235.07520	2.6
236.08188	1.7
237.08942	4.4
238.09473	10.8
239.06860	0.4
239.10789	0.8
241.08614	1.8
243.06541	0.5
247.07597	1.8
248.08118	1.4
249.09097	3.7
250.05911	1.4
250.09596	1.5
251.06958	1.3
251.10590	0.7
252.07462	0.6
252.11079	1.2
253.08611	3.2
254.08949	4.7
255.06596	0.7
255.09824	0.5
261.09167	1.0
262.09866	0.9
263.07022	2.2
264.07681	3.1
265.08548	9.2
266.08954	32.9
267.06491	0.7
267.09811	0.9
268.07019	1.1
268.10541	1.2
269.08038	1.2
269.11627	0.8
272.06644	0.5
275.07089	0.9
277.08618	5.9
278.09314	2.1
279.06488	1.4
279.10083	1.2
280.07620	0.9
280.10849	13.2
281.08130	8.5
281.11249	54.9
282.08450	27.8
282.11633	1.3
283.09210	1.7
285.11618	1.2
286.08441	2.9
287.09106	1.5
289.08713	0.7
290.09332	1.9
291.10095	0.8
293.08102	1.7
293.11719	2.3
295.09714	3.0
296.10422	8.1
297.10806	33.2
299.09076	0.9
306.08734	0.9
307.09677	1.4
308.10455	1.8
309.07593	1.1
309.11246	1.1
311.09180	0.8
311.12704	5.6
311.16446	0.6
312.10031	2.4
312.13129	46.4
313.10669	0.6
321.11169	4.2
324.10007	1.8
327.12280	9.1
329.14166	0.5
329.17975	0.7
339.12231	10.2
339.16238	0.6
357.13654	4.1
357.18933	100.0
358.19876	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1336
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
53.55255	3.6
56.96567	4.6
58.06599	4.7
63.67589	3.7
70.06555	4.5
71.51910	5.9
79.05485	10.2
81.07043	6.7
91.05505	8.3
93.07043	7.7
97.02909	3.6
97.06474	4.6
103.05469	9.6
105.07068	18.0
106.07372	12.0
107.04961	4.7
107.08537	5.4
115.05496	4.2
120.05748	4.8
122.03619	4.7
123.04405	5.2
129.07040	5.2
131.04955	5.8
135.04442	40.1
135.08061	45.8
136.08408	30.6
136.37163	4.3
137.06000	100.0
143.04941	6.6
147.04385	4.5
148.05212	5.3
149.05766	4.4
151.03925	50.0
151.05023	7.3
151.07535	9.2
153.93797	3.9
157.06499	3.6
163.07529	12.1
164.07895	14.1
165.05438	4.5
173.06027	7.4
174.06743	5.1
175.07545	10.0
177.09009	3.8
187.07608	25.9
189.09106	8.8
191.07071	66.5
192.07396	81.6
201.09059	4.1
202.09860	4.8
203.08580	5.9
205.08611	5.8
217.08675	7.2
219.08031	3.7
225.05453	14.0
226.09787	4.5
231.08066	8.9
253.05016	8.8
257.07278	4.0
263.10690	5.9
268.07300	28.5
269.08075	12.6
275.07013	3.7
277.08475	4.8
279.10236	5.3
281.08167	5.8
289.08545	14.9
291.10126	9.2
301.17789	3.7
309.11145	11.4
321.11273	36.7
327.12167	8.7
339.12302	12.2
357.13403	29.5
357.18912	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	357.1336
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
55.05514	11.4
57.07077	4.3
67.05505	6.0
69.07076	12.3
70.06606	8.8
71.52249	5.2
79.05518	5.4
81.07070	3.9
83.08620	7.0
88.07654	16.9
93.07064	3.7
95.08614	3.9
103.05467	3.9
104.13609	3.9
106.08683	6.7
119.04986	4.6
120.72387	3.3
122.03635	4.9
129.06952	5.2
131.04922	8.7
135.04431	100.0
136.04781	11.3
137.04985	8.9
137.05986	94.5
137.07060	3.9
143.04955	6.0
149.02380	7.9
149.05966	4.5
151.03925	51.2
151.05037	6.0
152.04234	18.4
153.04460	12.2
157.06587	7.1
161.05959	6.8
162.15909	4.2
172.05194	5.6
173.05998	10.9
174.06862	6.1
175.07596	10.6
187.07579	36.4
189.09109	7.8
190.07825	4.0
202.07831	4.6
203.08578	13.0
209.06010	4.3
217.08669	14.3
219.08046	6.4
225.05470	12.7
231.08043	19.7
238.06248	6.1
239.07158	5.6
247.07570	4.1
248.08342	10.0
251.10735	5.4
253.04904	16.1
259.07626	5.1
261.09119	12.0
263.10632	11.3
266.05661	4.3
268.07330	44.0
269.08020	23.0
273.09174	3.9
277.08725	6.9
278.93735	3.9
279.10114	7.6
281.08112	5.8
284.92178	3.6
289.08621	24.3
291.10199	15.0
295.09900	4.2
307.09607	4.4
309.11121	10.9
321.11234	57.9
327.12494	7.1
338.34531	5.6
339.12177	24.8
339.34100	5.4
356.35339	64.5
357.14246	24.4
357.35727	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1336
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
50.16637	2.4
55.01873	10.6
58.06598	6.0
65.03944	2.4
70.06618	2.3
70.96504	4.8
75.42519	2.3
79.05508	4.8
81.07073	5.9
91.05491	5.2
93.03391	4.3
93.07041	3.8
94.04176	5.8
103.05448	3.8
105.07027	3.5
107.04928	3.3
107.08616	2.4
109.06554	2.5
111.04431	2.8
115.05475	8.3
121.06528	2.9
122.03636	12.4
125.05971	4.2
129.53427	2.5
131.04967	6.9
133.06442	4.0
133.10172	2.9
137.06000	100.0
143.04939	3.5
149.06026	3.9
151.03934	10.5
151.07535	3.9
153.05499	4.3
155.04921	4.6
158.07430	2.6
160.05109	3.1
161.06020	15.1
162.06805	3.4
165.05490	15.7
175.07564	6.8
177.05492	9.5
187.07649	4.8
188.91545	2.5
189.07028	4.1
190.07785	6.7
191.08620	6.2
195.08078	3.6
201.09085	3.5
203.07042	8.8
205.06551	2.8
206.07307	3.1
206.11801	3.6
207.08101	7.8
208.08749	3.1
215.07008	6.0
218.07320	11.9
219.08104	18.7
220.08899	2.7
221.05846	3.0
231.07967	2.4
234.06804	6.1
235.07620	10.7
236.08342	5.7
237.09093	2.5
238.09715	2.9
246.06757	7.7
247.07578	17.3
248.08490	3.9
249.09143	8.8
251.07050	2.9
251.10683	3.0
257.06021	4.2
259.07645	2.4
261.09207	20.7
263.07095	8.8
264.07840	10.7
265.08777	4.8
267.10236	4.2
274.06226	7.7
275.07040	11.9
277.08612	15.1
278.09436	3.1
279.10156	13.8
281.08298	3.7
281.11237	6.1
282.08627	2.6
289.08652	29.1
290.09186	4.0
292.07422	5.1
293.08099	2.9
294.08765	6.3
295.09995	3.7
297.11111	4.3
306.08838	9.0
307.09683	57.4
308.10205	3.8
309.07986	3.0
309.10995	11.4
311.12878	3.5
312.13040	4.3
321.11264	40.0
327.12280	23.5
339.12308	32.2
357.13391	13.6
357.18170	22.6
359.69168	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	357.1334
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
51.02392	0.4
51.34539	0.3
53.03950	0.4
55.01873	1.1
65.03935	1.4
67.05503	1.6
69.22348	4.0
69.22624	0.4
79.05481	1.2
81.07047	0.8
85.02931	0.4
91.05507	1.0
94.04179	2.4
95.04957	0.6
98.60056	0.4
103.05467	0.4
107.04968	1.3
107.08670	0.4
108.02109	1.3
109.06548	1.1
115.05459	1.0
117.07025	1.0
122.03658	7.9
129.07037	0.6
135.04427	1.3
137.05994	100.0
138.06326	0.8
141.05466	1.2
143.04932	5.3
145.06529	0.8
146.65117	0.4
151.03926	71.7
151.05035	5.6
155.04916	0.6
161.06006	0.9
165.05493	2.8
167.07121	0.7
175.07587	2.0
187.07558	0.8
189.09225	0.8
191.07031	0.6
191.08708	0.5
203.07085	1.1
205.08546	2.4
215.07112	0.8
218.07289	0.5
219.08101	0.8
220.82442	0.4
246.06758	1.3
247.07570	0.6
261.09232	1.5
263.07068	0.7
265.08612	0.6
269.08237	0.5
274.06485	0.6
275.06979	0.8
277.08722	0.5
278.09375	0.5
279.10294	0.6
284.10593	1.1
289.08578	1.5
297.11194	0.9
306.08707	1.2
307.09891	0.7
309.11264	0.4
311.12839	1.7
318.67746	0.4
321.11224	8.6
327.12344	7.6
339.12283	6.1
357.13370	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43122	2.8
52.87400	3.1
55.05503	3.2
58.06599	5.2
62.03014	3.9
67.05498	6.1
69.07063	7.2
71.52065	3.6
72.25347	3.1
75.42655	3.2
79.05498	5.8
81.07073	3.5
84.42609	3.3
93.03389	4.0
95.04961	3.9
103.05494	4.1
111.04430	4.7
123.04468	6.3
129.06972	3.8
131.04906	10.4
135.04451	30.0
136.04776	31.3
137.02377	5.8
137.04965	12.3
137.05992	12.6
138.05173	4.7
138.06314	3.4
139.03931	100.0
149.06026	6.5
151.03909	6.9
151.07584	27.5
152.07893	4.6
163.07590	6.4
164.07889	7.3
171.52715	4.0
173.05945	4.9
174.06476	5.9
176.08102	3.8
189.08772	5.7
195.08121	3.4
201.09123	4.9
202.09470	13.7
203.09776	6.5
215.15100	3.5
223.07431	4.5
226.06094	6.6
234.11046	5.6
240.07614	3.9
241.08110	3.5
242.07996	3.2
250.09151	3.1
253.77744	3.1
254.08324	4.2
255.08795	6.4
262.09143	3.5
265.10876	3.7
269.08005	21.4
270.07651	5.6
284.09647	12.1
285.09924	16.9
285.85654	3.6
286.10562	14.4
289.10925	3.9
292.09579	8.7
297.10364	3.9
298.10632	4.9
305.11142	4.4
306.11508	7.5
307.11960	11.8
308.12680	7.4
311.11505	4.6
326.13724	11.2
336.13181	5.8
338.13828	25.7
356.15305	16.2
356.25912	5.8
357.13120	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	17.4
59.05009	21.4
60.73378	7.2
71.52402	7.8
72.08138	7.3
73.78118	5.6
75.25271	7.3
81.07040	8.1
91.78876	7.4
93.07047	8.1
105.03406	100.0
105.07027	10.6
107.04940	7.7
115.07578	41.7
119.08595	8.5
121.06568	10.0
135.04430	26.5
137.05988	23.0
151.07574	36.8
165.05528	6.6
175.07567	6.7
179.03427	14.8
190.09389	7.3
195.77026	6.8
202.09546	7.5
203.10652	13.9
209.11861	7.8
284.09900	11.1
324.16095	44.8
338.14841	7.6
356.12122	20.3
356.18826	14.3
357.13229	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	356.3525
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
51.66883	0.2
53.03974	0.3
54.93073	0.2
55.05516	7.8
57.07085	1.9
58.06592	0.7
60.00158	0.2
61.65268	0.2
67.05517	0.3
68.05033	0.2
69.07076	6.5
69.40161	0.2
69.83999	1.2
70.06599	11.3
71.08627	0.7
72.08143	0.2
74.06085	0.4
79.41643	0.2
81.07061	0.4
83.08622	3.3
86.06000	0.3
88.07637	14.5
97.10169	1.0
98.20843	0.3
102.09190	4.4
103.05450	0.5
106.08678	7.0
115.05475	0.2
118.08654	0.3
131.04933	1.1
135.04427	5.2
136.04750	3.2
137.05988	2.9
138.06348	0.9
143.04948	0.4
148.05190	0.4
149.02353	2.0
150.02699	1.0
150.06775	0.5
151.03922	2.9
151.05003	0.4
152.04242	0.7
160.05206	0.2
161.05991	0.4
163.07672	0.3
187.07593	0.4
189.09155	0.4
203.06998	0.4
205.08620	0.3
312.32629	0.9
321.11060	0.3
325.10709	0.4
326.11063	0.7
338.10968	0.3
338.34210	5.7
339.12125	0.3
356.12115	2.5
356.35242	100.0
357.13068	0.3
357.35651	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	356.1859
Annotation	Secoxanthoplanine
Peak:m/z	Relative Intensity
58.06608	62.6
59.05013	0.8
69.67145	2.2
74.92776	0.5
84.87733	0.5
85.27301	0.4
95.63052	0.4
115.59711	0.4
137.06010	1.2
139.03883	0.6
151.07603	0.8
152.07932	0.6
165.06979	0.7
191.08673	0.7
192.10231	0.9
195.08069	0.5
201.09180	0.7
203.10657	0.6
207.08118	1.1
208.08914	0.6
219.08157	1.4
220.08900	0.5
221.06161	1.0
221.09624	0.6
223.07701	0.5
225.09126	1.6
232.10616	0.4
233.06071	1.6
235.07672	1.3
236.08368	1.6
237.06761	0.9
237.09123	14.8
237.11401	0.9
239.07150	0.6
247.07613	0.6
248.08376	0.7
249.05531	1.3
249.09137	2.3
251.10699	1.7
253.08635	7.4
263.07111	1.9
264.07907	2.0
265.08633	42.1
266.09195	0.9
267.06598	1.2
267.10193	1.4
268.10776	0.6
279.10147	3.4
280.10974	68.6
281.08142	32.8
281.11359	2.1
282.08801	2.4
294.12369	0.8
296.10461	40.8
297.10718	0.6
311.12805	57.5
312.13336	1.0
319.00113	0.5
326.14694	0.5
338.14771	1.1
339.12305	0.5
356.18597	100.0
357.18948	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2069
Annotation	2'-Acetylheliotrine
Peak:m/z	Relative Intensity
55.01874	7.8
55.05497	0.9
58.06608	23.0
67.05505	2.4
69.07076	8.1
71.08196	0.9
76.66644	0.6
79.05492	3.9
81.03402	0.6
81.07067	0.9
85.02910	0.8
86.09714	100.0
87.10044	0.7
91.05489	26.0
93.07067	3.1
99.90680	0.6
103.05482	0.7
105.07040	16.2
107.04986	1.9
115.05463	1.0
117.07037	6.2
119.08592	36.5
120.08936	0.9
123.08054	0.6
128.06235	4.1
129.07024	7.6
131.08582	2.3
132.10217	29.6
133.06523	5.7
133.10147	16.0
133.11101	1.1
134.05983	0.7
135.08023	0.7
135.62340	0.6
137.05975	0.9
143.08586	9.6
145.06483	1.7
147.08063	31.0
155.06038	0.7
161.09637	59.0
162.09990	0.7
163.11192	1.3
165.09193	1.9
171.08096	1.9
179.10687	1.9
189.09125	45.4
207.10249	1.8
236.08284	0.6
237.09090	3.7
246.18652	0.7
251.10709	1.0
253.08646	1.4
256.17105	1.0
265.08612	12.1
274.18039	22.7
279.10394	1.3
280.10974	20.9
281.08167	8.8
281.11203	0.8
292.19101	35.2
296.10443	10.6
302.17538	2.6
310.20215	1.7
311.09222	1.0
311.12799	15.9
311.93408	0.6
320.18591	14.0
338.19641	34.9
356.14426	1.5
356.18582	26.1
357.18628	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1857
Annotation	N-Methylpavine
Peak:m/z	Relative Intensity
71.17139	0.6
79.05505	5.1
91.05490	0.9
95.04961	0.8
103.05489	4.8
105.03400	0.4
105.07044	19.2
119.04967	1.6
120.05741	4.2
132.05748	1.9
133.02855	1.1
133.06465	1.0
135.08070	46.3
136.08409	0.4
137.40846	0.3
147.04419	0.9
148.05211	6.1
160.05212	1.8
161.05902	0.5
163.07567	15.8
166.12291	0.7
176.04723	2.1
191.07053	100.0
192.07433	1.2
192.10208	1.1
317.64474	0.3
356.18607	33.1
357.18719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1849
Annotation	Secoxanthoplanine
Peak:m/z	Relative Intensity
58.06608	82.5
61.45854	0.6
70.06593	1.8
71.52334	0.7
71.52686	0.8
71.69614	0.6
72.08157	1.7
75.65932	0.7
81.07079	0.7
83.65724	0.7
83.88647	0.6
84.04441	0.8
84.08176	1.1
86.09702	2.2
95.08607	0.8
104.44368	0.6
112.07384	0.6
119.04943	0.7
121.02853	0.8
121.06519	0.7
135.04445	2.4
137.05984	5.1
143.05057	0.6
145.10156	0.7
147.04436	0.8
149.05940	1.5
151.03905	0.7
151.07574	2.6
164.04237	0.7
165.01889	1.8
166.02202	1.2
175.07576	0.7
175.21561	0.7
177.07823	2.4
183.02927	1.2
188.07004	3.1
189.07956	3.4
191.08601	2.7
192.10223	20.9
205.06599	0.9
206.07903	0.7
207.08092	1.4
208.08832	1.6
217.06516	1.1
218.07320	1.1
219.06163	0.6
219.08026	3.6
220.08736	0.8
221.05946	0.8
222.06697	0.9
223.07657	0.8
231.07968	0.9
233.06010	0.9
233.09703	0.9
234.06442	0.8
235.07553	2.9
236.08321	11.5
237.09093	2.3
238.06255	1.2
246.06708	0.7
247.07603	8.4
248.08372	13.5
249.09097	1.4
250.09941	0.8
251.07181	0.8
251.10715	7.0
252.07907	1.1
253.08662	2.1
262.09927	0.9
263.07043	2.5
264.07858	14.0
265.08603	10.8
265.11169	1.2
267.10165	0.8
275.07080	1.9
277.08679	1.3
279.10190	30.9
280.07703	0.9
280.10870	8.9
281.08130	7.4
281.11462	1.5
283.05957	2.6
283.09198	1.1
284.03400	1.2
284.06375	13.6
285.07108	0.8
295.09500	0.8
296.06985	1.4
296.10425	9.4
297.11557	0.7
298.12051	1.5
309.10828	0.7
310.07928	2.0
311.09177	3.4
311.12756	21.3
312.05804	1.6
313.11075	0.8
313.14392	2.5
322.10767	2.4
323.11459	2.3
328.09058	2.3
338.07355	2.0
338.13846	7.9
338.21298	0.7
356.08948	8.1
356.14807	20.1
356.18588	100.0
357.13614	0.7
357.18918	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	356.1495
Annotation	(-)-8-Oxoisocorypalmine
Peak:m/z	Relative Intensity
58.06605	45.7
58.31168	0.6
65.94241	0.7
67.66107	0.6
68.99759	0.7
69.56733	1.4
69.57136	2.9
70.06593	0.8
72.08150	1.0
83.04977	0.6
86.09692	1.7
91.05452	1.7
98.21436	1.0
109.06527	0.6
119.04906	1.4
121.06477	1.4
123.08081	0.6
135.04327	1.0
137.05957	1.3
147.04323	1.1
149.05991	5.5
151.07503	1.4
152.06250	1.3
153.06920	1.0
159.06743	0.9
163.03865	0.6
165.07004	1.9
167.04942	1.6
167.07062	0.8
167.08553	1.2
169.06479	1.7
171.08051	1.0
177.05505	1.4
177.07939	5.6
178.08626	0.9
180.05730	1.9
181.06456	1.1
183.08034	0.8
188.07083	11.9
189.07895	10.1
190.08638	1.6
192.10211	33.2
193.06474	1.6
194.07108	0.6
195.04420	2.6
195.08014	2.2
197.05997	1.5
199.07567	4.6
205.06451	1.1
206.08167	4.6
208.05151	1.6
208.87389	0.6
209.06015	1.6
210.06824	1.3
211.07445	0.6
219.04419	0.8
221.05919	1.6
222.06790	1.0
223.07600	6.5
225.05487	2.3
227.07030	10.3
235.07518	0.9
236.04611	2.8
237.05531	1.0
237.09157	0.8
239.07043	0.8
240.07832	1.7
247.07541	1.9
249.05353	0.8
250.06232	1.7
251.07033	9.7
252.07831	0.7
253.02490	0.9
253.04926	5.0
253.08635	0.9
255.10170	1.1
267.06451	0.7
268.07339	7.3
269.08115	2.2
275.07043	3.2
278.05716	0.7
279.06500	6.6
281.04523	0.9
283.09552	1.8
296.06815	9.1
297.07498	0.9
311.09158	100.0
312.09525	1.5
323.11392	1.6
338.14001	1.3
356.14944	82.9
356.18546	4.7
357.15161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2846
Annotation	1-Linoleoyl-(2S)-glycerol
Peak:m/z	Relative Intensity
53.03963	3.0
55.01862	4.1
55.05520	26.1
55.77744	2.2
57.03433	9.6
57.07074	10.4
59.79454	2.1
67.05511	95.8
69.06731	3.2
69.07076	37.0
69.57193	2.4
70.13036	12.1
71.04987	4.1
71.08621	7.6
79.05499	25.6
81.06590	5.0
81.07066	100.0
83.04970	4.9
83.08636	26.1
85.06510	3.5
91.05484	15.6
93.07046	31.0
95.08619	82.3
97.06519	10.3
97.10162	16.2
99.08099	3.3
105.07073	13.1
107.08589	21.1
109.09480	3.3
109.10165	40.3
111.11736	5.9
119.08562	14.2
121.10144	22.3
123.11712	20.6
129.05444	3.0
133.10165	18.3
135.04433	38.2
135.11723	13.0
137.05994	21.2
137.09564	2.9
137.13251	8.2
139.11215	4.4
147.11714	12.8
149.02306	5.4
149.13275	13.9
151.03931	37.3
151.05104	3.1
151.07526	3.1
151.11230	2.8
151.14807	7.5
152.08014	2.8
161.13275	16.4
163.04045	3.6
163.14822	10.2
165.16409	9.2
175.14836	11.6
178.98006	2.9
179.18025	4.5
189.16345	6.4
201.09122	4.9
217.19713	3.2
221.18898	2.7
245.20309	2.0
245.22672	52.4
261.09009	3.4
261.62585	2.4
263.23715	55.6
284.10361	4.5
285.11331	3.8
291.10141	3.8
305.11526	3.0
306.12268	4.1
335.11981	2.5
337.10526	4.7
337.14105	5.7
337.27390	41.3
355.11734	10.5
355.28491	9.6
356.35040	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	355.1731
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
58.06598	0.6
65.86929	0.4
66.34909	0.3
67.05495	0.5
69.03458	0.4
70.84596	0.4
70.84922	0.6
74.45943	0.3
76.13210	0.4
81.03421	0.5
81.07066	0.5
97.06499	0.4
103.48387	0.3
105.07051	0.6
107.08626	0.4
129.07021	0.4
137.05975	1.5
138.23497	0.3
141.58548	0.3
147.04486	0.4
149.09740	0.4
151.03902	2.0
151.07513	0.4
163.03969	1.0
163.86330	0.4
167.03394	0.4
175.07553	0.6
177.09184	0.5
187.07587	3.3
193.12065	1.2
201.09128	0.7
202.09871	0.5
203.05345	2.6
219.08066	0.6
223.07593	0.4
237.09253	0.6
247.07419	0.5
249.09187	0.4
263.07050	0.5
264.07858	0.8
265.08728	0.5
283.06097	0.6
284.06824	0.7
286.25708	0.3
293.08014	0.9
295.09772	0.5
305.08063	0.4
307.09650	0.6
311.13046	0.3
325.10748	1.4
335.39499	0.4
337.10770	2.0
355.17313	100.0
356.17776	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.92131	2.8
53.03927	5.9
55.05515	34.2
57.03431	8.3
57.07067	9.9
65.03920	4.0
67.05505	91.7
69.07069	42.0
69.51054	13.1
69.51459	6.7
71.04983	3.4
71.08615	6.2
79.05502	25.3
81.06596	5.5
81.07061	100.0
83.08630	29.5
85.06525	2.9
91.05496	18.0
93.07048	36.1
94.17772	2.9
95.08617	87.3
97.06516	12.5
97.10160	21.4
98.21553	6.2
99.08098	3.3
101.97482	3.4
105.07021	12.5
107.08607	26.0
109.10155	53.3
111.08044	2.9
111.11729	6.3
119.08621	18.0
121.10163	26.0
123.11724	24.0
133.10153	23.6
135.11678	20.6
137.05948	11.0
137.13237	11.9
147.11668	11.6
149.13281	14.5
151.07477	7.1
151.14761	6.0
155.14351	4.1
161.13281	16.0
163.14818	11.4
165.16385	8.5
175.14812	12.0
179.17964	5.8
189.16399	4.9
201.09203	3.7
241.08626	4.1
245.22693	51.1
254.09317	3.6
263.23718	59.2
269.08124	7.3
277.89450	2.8
284.10349	9.1
285.11353	3.6
291.10028	4.4
305.11798	5.6
310.12009	3.0
337.14316	10.7
337.27399	44.3
355.15274	7.0
355.28427	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	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	24.6
57.03439	6.1
57.07071	13.3
62.35371	4.9
64.40532	5.0
67.05185	5.5
67.05509	80.4
69.07075	35.6
69.75873	25.5
71.08609	7.9
72.76764	4.6
79.05502	26.4
79.87815	4.4
81.07066	97.2
83.08625	26.4
83.20412	4.8
85.06521	7.5
91.05478	19.2
93.07054	32.8
95.08611	94.7
97.06556	10.3
97.10156	18.9
105.07040	11.8
107.08591	34.0
109.10175	43.0
111.11736	8.5
119.08570	17.1
121.10128	27.8
123.11678	22.1
131.08580	5.7
133.10138	19.2
135.04384	9.6
135.11684	24.0
136.58646	5.2
137.05995	13.3
137.13266	10.0
145.10133	9.8
147.11670	13.3
149.13263	13.2
151.03940	8.1
151.07516	9.0
151.14819	11.1
158.42163	5.1
161.13298	15.9
163.14848	14.5
165.16426	11.3
175.14830	9.7
189.16377	9.1
201.09016	8.5
245.22702	56.1
263.23785	60.0
284.10260	9.3
285.11139	6.6
305.11554	9.2
337.14130	9.9
337.27402	25.7
355.24042	10.8
355.28180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1728
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.05513	0.8
57.70881	0.5
58.06606	2.6
63.19661	0.5
64.43542	0.5
67.05516	0.5
69.03440	0.6
69.30357	3.6
72.08136	0.7
79.05496	0.6
84.08137	0.5
85.02896	0.7
95.79478	0.5
99.04444	0.6
100.11270	1.0
105.07118	0.6
109.06493	0.7
122.03696	0.9
124.74577	0.5
131.08615	0.5
135.04427	1.0
137.06001	6.9
149.06059	0.5
151.07558	3.4
157.06514	1.2
163.03929	1.0
165.01859	1.0
167.06993	0.7
172.08849	0.8
173.06056	0.6
175.07562	2.0
182.15398	1.4
187.07571	1.8
188.08401	1.7
189.09177	0.9
192.10208	1.4
193.08650	0.7
201.03720	1.2
201.09122	5.0
203.05275	1.2
203.10713	2.3
210.14906	1.7
213.09215	0.7
217.08546	0.8
219.08130	1.1
228.15999	0.6
228.74835	0.6
231.08238	0.5
231.10211	2.9
233.09682	0.6
235.07425	0.6
247.07582	0.8
251.10652	0.5
261.09039	1.1
263.10953	0.5
277.12253	1.3
279.10175	0.7
283.06030	2.7
285.11282	0.5
291.10181	1.1
293.11700	1.2
295.09589	0.8
305.11792	2.2
306.12564	1.1
307.09790	0.6
310.11957	1.4
311.09329	0.9
325.14389	2.1
337.14352	5.1
337.21133	1.3
355.17331	100.0
356.14429	0.9
356.18311	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.6
55.05513	3.4
58.06604	13.8
62.75106	2.7
67.05495	5.9
69.03415	5.5
69.07074	6.8
71.04980	5.9
71.53341	3.6
77.03909	2.9
79.05499	10.6
81.03418	7.9
81.07048	10.3
81.73811	3.3
84.08158	3.7
85.02888	4.0
91.05476	12.8
93.07030	6.8
95.04986	3.9
95.08592	5.7
98.97587	6.8
103.05424	3.9
105.07019	8.8
107.04953	12.8
107.08596	7.8
109.02898	4.8
109.06515	4.7
109.10143	5.7
111.04469	8.0
115.05460	9.2
117.03355	5.0
117.06994	5.1
119.04945	6.1
119.08611	3.7
121.06487	3.3
121.10155	5.0
122.03661	10.2
125.06056	3.2
128.06233	6.2
129.06999	13.4
131.04897	6.6
131.08623	3.7
133.02904	5.5
133.06506	5.7
135.04410	57.6
136.05202	7.0
137.05983	100.0
138.03163	4.0
139.03906	19.2
143.04958	4.2
144.05688	4.4
145.02879	6.0
145.06447	6.4
147.04433	6.8
147.08060	3.4
147.11819	3.5
149.02342	12.9
149.06018	6.4
151.03935	55.0
151.05042	4.7
151.07555	59.1
153.05473	32.3
157.06461	17.9
158.07269	5.7
158.99690	3.9
159.04388	3.6
159.08022	4.6
160.05281	4.3
161.05978	8.9
163.03926	46.8
163.07555	8.5
165.05492	15.5
165.06828	3.8
165.09129	10.7
167.07037	5.9
169.06461	4.5
171.04640	4.1
172.05238	10.0
172.08815	5.0
173.05949	15.8
174.06778	9.6
175.03928	5.1
175.07568	21.9
177.05502	11.9
177.06932	2.8
177.09100	5.9
178.07623	3.9
179.07053	11.4
179.08459	3.3
181.04947	3.7
181.06464	5.9
185.06006	78.5
186.06737	7.5
187.07555	49.7
188.08427	13.8
189.07072	6.3
189.09116	19.1
191.07042	12.5
191.08578	4.3
191.10703	3.0
192.07417	4.7
193.04997	3.0
193.08698	14.0
194.09402	8.9
199.07492	7.8
201.05479	31.9
201.07350	4.5
201.09132	26.3
203.07018	9.4
203.08850	4.0
203.10704	10.4
205.06537	4.8
206.07294	4.1
207.06461	6.8
207.08180	6.8
209.06087	3.9
211.07582	8.6
213.05553	3.5
215.07005	5.2
215.08864	3.1
217.08604	11.2
218.07202	3.3
219.08185	17.0
221.06064	3.7
224.08386	3.3
225.05476	5.9
225.09123	7.1
227.07062	10.3
231.08174	6.0
231.10211	17.9
233.06004	4.5
233.09714	5.3
234.06789	13.3
235.07681	15.5
236.08243	4.2
237.09196	8.2
239.07124	8.5
241.08633	19.3
245.09914	3.4
246.10275	4.0
247.07489	17.9
248.08307	4.9
249.05412	5.0
249.09140	6.9
251.07018	9.0
251.10744	5.4
253.08675	7.8
254.09453	21.4
254.75110	3.4
255.06563	9.6
259.07782	4.5
261.05484	3.5
261.09177	13.6
262.06229	9.5
262.09949	10.2
263.07086	7.4
263.10623	9.4
264.07748	9.0
265.08664	13.4
267.10205	5.4
269.04553	2.9
269.08069	15.3
270.08960	21.1
271.16193	3.3
273.08905	2.8
275.07062	5.4
275.10583	5.3
276.07730	7.0
277.08597	19.7
277.11859	5.8
278.09341	6.5
279.06885	3.7
279.10233	10.9
280.07471	4.2
280.10928	5.3
281.08060	4.0
282.08820	4.3
283.06119	3.8
283.09525	4.2
284.06995	7.3
284.10367	40.6
285.07974	6.3
285.11197	47.6
290.05643	10.8
290.09055	5.2
291.10135	28.8
292.07233	5.2
293.08145	14.9
293.11606	5.4
294.09042	5.3
295.09637	11.6
297.11191	12.5
305.08072	31.8
305.11749	33.4
306.08865	5.2
306.12418	26.6
307.06042	7.7
307.09637	24.0
309.11093	5.4
310.08578	6.6
310.12033	12.5
311.12878	7.4
319.09628	5.8
322.08423	6.2
322.12003	10.9
323.09177	8.1
325.10718	25.2
325.14383	12.3
327.12320	3.6
337.10632	45.4
337.14401	56.3
355.07715	3.9
355.11713	43.6
355.15475	46.4
356.18619	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	355.1542
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
52.56543	1.8
54.57357	1.8
55.01864	3.1
58.06606	44.3
65.03951	2.3
71.52509	2.4
79.05505	7.6
81.07052	2.6
85.02922	2.4
91.05479	12.0
93.88020	2.1
94.04182	2.6
103.05501	3.6
105.07012	10.6
107.04962	8.4
108.05811	1.8
109.06561	3.3
115.05471	5.5
119.04930	6.2
119.08578	2.4
121.06517	5.6
122.03655	7.8
128.06210	4.6
129.07016	9.9
131.04910	5.1
132.05685	2.9
133.06496	8.1
133.10197	2.2
135.04407	4.6
136.05206	6.3
137.05988	100.0
139.07558	1.9
143.58714	2.0
144.05682	3.2
145.06471	10.8
146.07291	7.0
147.04330	2.9
147.08121	2.8
149.06020	2.4
151.03961	1.9
151.07558	76.6
157.06537	17.5
158.07254	10.1
159.08038	4.8
160.05196	3.6
161.05963	19.4
162.06729	2.9
163.03912	4.6
163.07520	3.0
165.05731	2.1
165.09109	3.0
167.07013	4.9
171.08064	3.3
172.05202	7.2
172.08868	11.8
173.06027	7.8
174.06807	5.9
175.07555	25.2
176.08304	7.5
177.05495	4.1
177.09096	15.2
179.07062	4.9
185.05928	2.5
187.07549	24.5
188.08333	22.9
189.09125	8.0
199.07556	3.8
201.09116	62.4
202.09767	4.1
203.08784	3.6
203.10664	26.4
211.07573	2.6
213.09042	5.3
215.08611	2.7
217.08580	11.3
218.07266	3.4
219.08037	10.7
220.08806	4.7
221.09808	2.4
225.09070	3.7
227.07060	4.8
231.08003	9.5
231.10133	46.4
233.09648	15.1
234.10461	5.1
235.07590	5.9
235.11180	2.4
236.08316	4.9
237.09142	9.3
239.07114	3.7
241.08728	2.0
245.09557	5.7
246.06758	2.4
246.10384	5.5
247.07550	10.3
248.08366	5.4
249.09096	7.1
250.09946	4.5
251.10725	6.3
252.07617	3.9
253.08623	7.4
254.09357	5.9
259.07553	4.6
261.09119	17.0
262.09888	8.9
263.07019	6.2
263.10681	7.3
264.07880	3.5
265.08600	34.7
265.12183	8.7
267.10178	9.5
269.08051	4.0
270.08777	3.6
273.09109	5.5
274.09860	8.2
275.07239	3.6
275.10663	8.9
276.07736	2.9
277.08899	3.1
277.12292	8.8
278.09467	4.7
279.10190	22.2
279.13187	3.0
280.10944	43.4
281.08136	21.0
283.06125	4.3
284.10361	6.4
284.76248	2.2
285.11298	11.1
290.09344	8.8
291.10159	17.9
293.11746	17.9
294.12598	11.9
295.09674	12.9
295.12668	3.1
296.10391	32.2
297.11188	3.0
305.11755	27.6
306.12543	17.8
307.09772	15.1
309.11301	2.8
309.14844	2.0
310.11972	28.1
311.12759	37.2
322.12115	10.0
324.13394	3.0
325.10715	4.0
325.14325	52.1
337.14368	79.8
355.07944	4.0
355.11597	2.2
355.15082	37.9
356.18646	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22070	2.4
58.06598	10.9
67.05523	3.8
69.07073	3.5
71.05004	5.2
71.52477	4.2
79.05503	4.7
80.49629	2.8
81.07048	4.1
86.09720	6.0
91.05458	5.1
93.07055	3.7
94.04159	3.4
95.25556	2.5
105.07029	5.0
107.04963	6.8
117.03364	3.4
119.04953	3.2
121.06503	2.6
122.03672	6.7
129.06996	5.7
131.05002	3.5
133.02834	2.7
135.04437	14.0
136.05244	8.8
137.05991	100.0
143.04959	4.4
145.06557	5.1
149.06049	3.3
151.03967	6.2
151.07555	68.2
157.06505	10.5
158.07256	2.7
160.05215	8.7
161.06015	6.4
163.03915	37.0
163.07541	6.6
165.05518	7.5
165.09146	3.6
172.08813	4.4
173.06055	3.6
174.06773	5.3
175.07582	24.2
177.05461	9.1
179.07071	15.5
181.06540	6.4
187.07559	11.3
188.08340	8.8
189.09052	20.0
191.07068	5.5
193.08597	3.4
198.06758	4.1
199.07561	2.9
201.05507	5.4
201.09146	36.3
203.08746	4.8
203.10655	11.4
207.08098	4.1
210.06833	5.1
211.07567	11.2
213.09056	4.0
217.08632	4.3
218.07474	3.5
219.08095	7.5
225.09123	22.7
226.06279	5.9
227.07022	12.6
231.08206	5.2
231.10036	12.8
233.09659	5.9
234.06833	4.9
235.07597	4.0
239.07013	7.2
240.07849	2.9
241.08595	30.2
242.09395	3.2
246.10350	6.2
247.07608	10.1
248.08406	6.4
249.09137	6.0
251.10698	3.2
252.07744	3.1
253.08672	15.3
254.09488	29.4
255.06548	8.3
255.09883	3.0
261.09201	13.1
262.06195	3.7
262.09946	11.9
263.10764	6.2
267.10388	5.5
269.08127	26.0
270.08881	21.1
274.09940	8.2
275.07343	3.9
275.10736	10.7
276.07867	5.2
277.08609	12.1
277.12277	9.5
279.10184	10.0
283.09561	3.0
284.10464	70.0
285.11197	57.8
290.05978	4.0
290.09341	7.7
291.10196	24.9
292.07193	3.7
293.08463	3.4
293.11722	12.1
294.12390	3.8
295.09695	5.9
297.11331	21.3
305.08243	9.4
305.11664	50.2
306.12534	28.6
307.09659	9.3
309.11102	5.3
310.12039	13.2
311.12918	5.9
322.12000	18.5
323.09204	6.5
325.10779	3.1
325.14319	11.3
327.16077	3.4
337.10623	12.4
337.14359	78.2
355.08139	3.0
355.11624	13.4
355.15494	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1544
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
55.01888	1.0
55.05519	1.9
57.07069	1.7
58.06583	2.1
66.75654	1.0
67.05495	2.8
69.07058	3.7
71.04998	22.1
79.05490	2.6
81.07054	9.3
83.08650	1.0
85.06509	1.0
91.05474	2.1
93.07034	2.5
95.08616	5.4
97.47572	0.9
97.54129	1.0
97.82411	0.9
98.06068	3.4
103.05482	1.1
105.07066	1.4
107.04969	1.3
107.08570	1.2
109.10174	2.4
115.05470	2.6
121.10149	1.0
123.11676	1.3
128.06183	1.1
129.06999	3.7
131.04944	1.4
131.08519	5.4
135.04463	2.4
137.05994	9.8
137.13232	1.9
141.07005	3.8
144.05725	1.5
151.03918	1.9
151.07541	4.1
157.06534	4.8
158.07309	1.2
159.08070	6.7
160.05173	1.6
161.05913	1.3
163.03874	1.9
163.07620	1.1
165.06985	1.5
169.06506	3.0
171.07994	1.1
174.06863	1.4
175.07568	6.3
179.08664	1.6
181.06528	2.7
186.06776	2.2
187.07544	4.9
188.08356	1.0
189.09178	6.6
191.07077	1.1
191.09030	1.6
191.10649	9.4
194.07141	1.0
195.08052	1.1
198.06802	1.9
201.09152	8.4
202.07849	3.4
203.10757	1.8
207.08080	1.7
210.06790	2.8
211.07474	2.4
212.08345	1.5
213.09174	3.3
217.10152	3.5
219.08109	2.2
219.10170	5.4
220.09753	1.8
221.09680	1.2
223.07582	1.6
224.08311	2.0
225.09088	6.2
226.06262	3.2
226.09892	1.4
227.07083	4.2
227.10751	1.6
231.08214	1.8
231.10274	2.8
233.09579	2.8
233.11746	1.5
234.10434	1.6
235.07515	1.5
235.11206	2.0
237.09229	2.2
238.09705	1.1
239.07025	3.4
239.10692	2.3
240.07767	2.8
241.08621	42.8
245.09608	6.5
246.10240	1.3
247.07542	4.2
248.08278	1.5
249.09158	2.5
250.09816	1.8
251.07021	1.5
251.10698	4.5
252.07745	2.9
253.08620	6.5
254.09442	7.1
255.06609	4.7
255.10193	2.0
261.09180	3.3
262.09958	6.9
263.10660	3.5
264.07877	1.7
265.08578	2.8
265.12271	2.2
266.09286	1.8
267.10205	4.5
267.13416	1.7
269.08157	18.7
269.11243	1.0
270.08926	11.0
271.09631	1.4
273.09155	1.8
274.09805	1.1
275.07330	0.9
275.10715	3.0
277.08594	3.6
277.12268	9.8
278.09555	2.3
278.13062	2.8
279.10196	6.1
280.10950	2.3
281.08386	2.5
281.11707	1.7
282.08850	2.7
283.09695	6.9
284.10461	63.2
285.07986	1.2
285.11191	17.7
290.09302	3.5
291.10223	3.8
291.13525	1.0
292.07455	1.2
293.08395	1.6
293.11676	3.0
294.08923	2.7
294.12506	6.0
295.09695	3.2
295.13327	2.6
296.10410	1.9
297.11301	8.1
300.09857	1.8
305.11694	12.9
306.12479	2.7
307.09677	4.4
307.13016	1.3
309.11209	10.6
309.14908	8.1
313.10773	2.9
319.13254	2.3
322.12048	6.1
323.12668	3.6
325.14603	1.2
327.12186	2.0
337.14377	32.2
337.21368	2.2
355.15430	100.0
355.22742	7.6
355.33899	1.3
356.15503	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	355.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84941	1.4
55.01881	2.2
58.06597	5.6
61.08341	1.6
67.93867	1.9
71.04989	5.4
71.52829	2.3
79.05498	2.3
81.07063	4.0
87.81691	1.9
91.05470	5.5
93.07049	3.9
94.04192	2.8
105.07019	2.0
107.04959	6.3
108.05777	2.3
109.06490	3.0
117.07066	2.1
122.03665	8.2
123.92922	1.7
125.05958	1.7
128.06230	2.1
129.06967	4.3
131.04919	4.2
133.02858	5.0
135.04428	9.4
136.05193	5.9
137.05989	100.0
141.62900	1.8
143.04939	3.1
144.05698	3.3
145.02901	1.8
145.06488	5.6
149.06039	2.9
151.03960	4.0
151.07561	63.2
153.05453	2.6
157.06509	10.3
158.07274	4.9
159.07968	1.7
160.05220	6.6
163.03925	19.1
163.07553	4.0
165.05566	3.4
165.09114	4.5
172.05237	2.6
172.08824	6.0
173.05966	2.9
174.06728	8.3
175.07558	15.0
177.05501	6.4
177.09114	4.9
179.07086	10.5
181.06483	4.7
185.06020	2.7
187.07591	18.7
188.08351	13.6
189.09125	20.2
190.09918	2.0
191.07057	5.5
191.10742	2.6
193.08549	2.4
198.06763	3.2
199.07529	4.6
201.05447	2.4
201.09108	49.0
203.08722	3.2
203.10683	12.8
207.08116	2.9
210.06813	6.3
211.07515	9.6
213.09128	5.2
217.08554	8.5
218.07297	2.7
219.08069	10.8
219.09889	1.9
220.08769	2.4
221.09698	2.3
224.08290	2.8
225.09113	9.2
226.06236	5.3
227.07045	7.4
231.08090	5.7
231.10197	26.3
232.08829	2.5
233.09689	8.7
234.06685	3.0
234.10271	2.7
235.07495	4.1
239.07083	10.1
240.07768	2.7
241.08588	41.9
245.09648	5.0
246.10333	6.1
247.07578	9.1
248.08368	6.6
249.09154	4.6
251.10713	5.4
253.08559	8.2
254.09393	28.2
255.06592	8.0
255.09995	2.2
261.09149	13.5
262.09863	18.2
263.07135	4.7
263.10623	9.8
264.07916	3.2
265.08636	2.7
265.12158	2.6
267.06415	2.0
267.10120	6.0
269.08096	27.7
270.08887	20.5
273.09137	4.0
274.09805	8.8
275.07202	3.1
275.10623	8.4
276.07846	5.0
277.08997	3.5
277.12271	12.5
278.09314	5.1
279.10168	12.8
280.10953	2.8
282.08832	3.8
284.10452	80.6
285.11234	55.2
289.08783	2.3
290.06097	3.1
290.09406	9.2
291.10178	28.4
292.07257	2.2
293.11789	10.3
294.12485	7.6
295.09622	9.1
295.12769	2.0
296.10693	2.4
297.11249	18.0
305.08224	3.7
305.11719	44.8
306.12512	34.7
307.09616	12.9
307.12955	3.4
309.11365	3.6
310.12012	19.4
311.12698	4.2
322.11917	15.9
323.09116	2.9
323.12695	2.8
325.14343	21.1
327.15689	3.0
337.10776	4.8
337.14343	79.9
338.14734	3.6
355.11670	6.2
355.15442	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1543
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
51.02654	0.6
51.49677	0.5
53.03929	0.8
65.03938	1.4
65.69440	0.7
69.46449	2.8
69.46880	2.2
79.05502	2.5
81.07069	1.1
91.05480	6.5
93.03423	1.1
94.04229	3.8
95.04972	2.4
103.05493	1.5
105.07060	0.9
107.04967	6.9
108.05723	2.5
109.06516	3.1
115.05417	1.3
119.04982	0.7
121.06514	1.9
122.03671	7.4
123.08060	0.9
128.06207	3.0
129.07018	11.3
131.04970	3.6
131.08449	1.6
133.06468	0.9
135.04439	10.4
136.05196	12.3
137.05989	100.0
139.07524	2.1
141.06979	1.2
143.04930	1.8
143.08551	0.9
144.05743	3.4
145.06487	3.3
146.07289	2.0
147.04457	1.1
149.05968	2.4
151.04021	4.6
151.07556	95.6
152.07948	1.0
156.05716	0.8
157.06512	12.3
158.07263	4.9
158.63091	0.7
159.04453	1.2
159.08084	2.0
160.05255	1.4
160.08871	0.7
161.05981	2.2
163.07542	3.1
164.13869	0.9
165.05515	2.6
165.06902	0.8
165.09122	2.9
167.07088	1.0
171.08057	2.9
172.05222	5.9
172.08846	4.4
173.05991	3.4
174.06796	13.0
175.07573	10.5
177.05435	1.4
177.09068	3.3
179.07097	5.0
181.06465	1.8
185.05974	1.7
186.06755	1.8
187.07564	31.1
188.08340	9.4
189.09117	21.1
190.09898	0.7
191.07056	1.9
191.08598	1.6
197.05978	1.2
198.06749	1.3
199.07578	2.8
201.09126	23.7
202.07745	2.2
202.09636	1.5
203.08635	2.9
203.10693	11.2
205.08566	1.2
207.08084	1.7
210.06755	1.9
211.07538	2.5
213.09143	4.0
215.08551	3.0
216.09473	1.0
217.08585	21.4
218.07359	1.6
219.08061	7.8
220.08794	1.4
221.09657	1.7
223.07533	1.5
223.11124	0.7
224.08295	1.0
225.09123	4.3
226.06261	2.6
227.07008	2.3
230.07236	1.0
231.08075	5.6
231.10204	16.6
232.08835	2.7
233.09616	7.2
234.06779	0.9
234.10396	2.4
235.07480	4.4
235.11127	0.9
236.08282	1.3
237.09172	1.5
239.07016	2.7
240.07838	2.0
241.08604	20.5
243.08064	1.1
244.08859	1.2
245.09619	5.6
246.10419	6.9
246.96301	0.7
247.07574	10.1
248.08253	4.5
249.09065	3.7
250.09950	1.2
251.10631	4.3
252.07918	1.0
253.08611	3.0
254.09389	5.0
255.06615	2.9
255.09988	0.8
259.07626	3.1
260.08414	1.2
261.09140	12.5
262.09909	12.4
263.07065	3.5
263.10663	8.6
264.07959	3.3
264.11279	0.7
265.08652	2.4
265.12247	3.0
267.10184	4.8
269.08127	14.2
270.08862	5.2
273.09116	3.0
274.09897	8.8
275.07147	2.0
275.10687	7.6
276.07870	3.8
276.11209	1.6
277.08624	4.0
277.12268	12.4
278.09470	3.1
279.10168	12.0
280.07373	0.9
280.10867	1.0
281.08072	1.0
282.09079	1.7
283.09750	1.5
284.10452	41.9
285.11255	12.5
289.08780	1.4
289.11975	1.1
290.09311	6.5
291.10168	22.4
292.07443	1.2
292.10889	1.9
293.11707	11.5
294.12515	8.1
295.09653	7.0
295.13235	1.8
297.11221	5.9
304.11005	1.0
305.11743	33.9
306.12491	26.8
307.09802	10.7
307.13113	1.6
309.11258	2.9
310.11972	20.3
311.12732	3.5
319.13495	1.1
321.11328	2.4
322.12051	11.1
323.12717	2.1
324.13589	1.6
325.10818	1.0
325.14331	26.7
327.15833	1.3
337.14371	71.8
338.14746	1.3
355.11938	2.2
355.15433	44.4
356.15955	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60657	1.9
55.05498	1.8
60.10141	1.8
63.47280	1.8
67.05503	6.8
69.07078	2.5
70.83975	2.1
70.84326	4.1
71.04977	3.9
79.05499	5.4
81.07069	10.3
83.08657	2.8
91.05476	5.9
93.07049	2.1
94.04214	2.8
95.08604	7.6
105.07030	2.4
107.04952	5.8
108.05717	2.5
109.06528	2.5
109.10155	4.1
111.55153	1.6
121.06523	2.7
122.03650	6.1
128.06253	2.3
129.07051	5.9
133.02805	3.5
135.04399	5.9
136.05196	7.8
137.05995	77.2
143.04933	3.0
144.05672	2.2
145.06398	2.6
146.07318	2.5
148.05194	2.6
149.06023	4.6
151.03873	3.3
151.07568	68.1
151.08824	3.5
157.06519	10.2
158.07275	4.0
160.05217	6.2
161.06046	2.3
163.07573	4.9
165.05504	4.5
165.09146	5.7
167.07054	1.8
172.05128	2.8
172.08865	3.6
173.05945	3.3
174.06744	8.0
175.07590	17.1
177.05510	7.4
177.09106	4.0
179.07045	10.5
181.06471	4.8
182.07204	2.6
187.07590	21.2
188.08339	8.3
189.09143	18.8
190.09819	2.1
191.07048	5.7
191.10664	2.6
193.08746	2.1
197.05998	2.0
198.06714	4.0
199.07567	3.1
201.09128	34.6
202.07782	2.7
203.08734	4.0
203.10684	11.7
210.06749	4.6
211.07571	8.7
213.09126	5.4
217.08589	8.0
218.07297	2.8
219.08070	8.4
219.10030	2.2
220.08679	2.4
225.09129	10.6
226.06219	8.6
227.07030	7.7
231.08066	7.0
231.10194	13.1
232.08942	2.2
233.09727	6.1
234.10252	2.7
235.07510	3.1
239.07086	10.3
240.07748	3.0
241.06267	3.0
241.08629	48.3
245.09773	3.6
245.22760	4.2
246.10446	4.4
247.07568	10.6
248.08342	7.7
249.09154	3.4
251.10652	4.4
253.08496	10.4
254.09395	32.2
255.06581	10.9
255.09995	5.5
260.08304	2.2
261.09113	14.5
262.09906	16.7
263.07275	1.9
263.10706	8.6
263.23669	4.2
264.07837	3.0
265.08560	3.3
265.12274	2.7
267.10080	4.2
269.08136	38.9
270.08847	19.4
273.09143	3.4
274.09860	8.5
275.07062	2.6
275.10638	7.8
276.07910	4.4
277.08780	3.5
277.12253	13.8
278.09427	3.4
279.10300	14.7
281.08090	2.8
282.08844	5.2
283.09573	3.1
284.10461	100.0
285.11246	50.4
289.08670	2.8
290.09366	7.4
291.10159	30.2
292.07571	2.5
293.08243	1.9
293.11673	9.3
294.12466	5.1
295.09750	4.9
295.13116	2.2
297.11255	21.7
299.12750	2.3
305.11734	44.5
306.12463	32.5
307.09689	14.9
309.11148	3.7
310.12030	14.8
311.12744	5.5
322.11984	17.2
325.14429	19.4
327.15942	2.5
337.14374	69.5
355.11395	3.2
355.15436	41.4
355.34143	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	355.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44670	2.2
55.05504	3.1
57.07082	3.1
58.06589	5.3
67.05489	4.4
69.07068	3.3
71.04993	3.9
71.52753	4.4
79.05486	8.4
81.07052	4.5
83.08626	4.6
88.07582	3.1
91.05487	7.6
91.14775	2.4
93.07034	4.0
94.04189	3.9
95.04955	2.9
101.08589	2.8
105.07039	3.8
106.22864	2.7
107.04962	7.8
109.06512	4.6
117.05129	2.4
117.07056	2.6
121.06506	3.9
122.03657	6.4
128.06215	3.4
129.07011	6.4
131.04950	3.2
135.04410	42.2
136.05206	9.1
137.06001	100.0
143.04889	4.3
145.06496	6.3
147.11710	3.0
149.02382	3.0
151.03903	23.5
151.07552	84.3
157.06512	9.6
158.07240	7.4
161.05998	5.6
163.03928	22.7
165.05565	2.8
165.09132	11.5
172.05190	5.0
172.08830	9.7
173.05978	6.7
174.06766	11.0
175.07542	18.6
177.05453	8.2
179.07057	10.4
181.06488	6.2
182.07249	5.6
187.07544	21.7
188.08307	11.9
189.09088	18.8
190.10072	3.0
191.07022	6.2
201.09103	37.6
203.10725	15.2
206.73824	2.9
210.06880	3.4
211.07547	11.7
213.09132	4.6
215.08748	3.4
217.08585	11.3
218.07301	4.3
219.08055	10.2
219.53023	2.5
221.09619	2.9
224.08371	3.0
225.09067	13.5
226.06345	7.9
227.07004	9.6
231.08061	7.7
231.10194	17.6
232.08817	5.1
233.09578	12.8
235.07520	3.0
239.06979	12.9
240.07779	3.8
241.06284	4.2
241.08617	48.5
245.09615	5.1
246.10417	8.6
247.07573	12.2
248.08273	3.6
249.09181	4.3
251.10689	6.2
253.08560	10.3
254.09404	39.0
255.06628	13.2
259.07547	6.1
261.09183	12.5
262.09863	11.5
263.07001	6.8
263.10690	9.4
264.07788	4.4
264.83746	2.8
265.08539	3.9
267.09995	3.7
269.08127	39.6
270.08920	19.1
273.09146	6.3
274.09818	9.5
275.07037	6.0
275.10660	9.0
276.07803	9.7
277.08743	3.1
277.12021	12.6
278.09232	4.1
279.10144	7.7
281.08258	3.1
282.08969	5.8
284.10449	87.4
285.11227	56.8
290.09402	14.6
291.10208	32.5
293.11621	12.8
294.12469	7.5
295.09604	8.4
295.12833	4.0
297.11273	23.7
305.11765	47.3
306.12482	40.4
307.09564	15.7
310.12015	15.4
311.12753	5.1
322.11896	20.7
325.10904	4.9
325.14233	17.3
326.14871	3.2
327.15817	6.3
337.10352	4.9
337.14362	74.9
338.14667	2.9
341.12189	2.7
354.33688	7.7
355.11557	8.1
355.15417	54.1
355.34109	21.7
367.04654	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	355.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05820	2.3
64.01943	2.2
65.75785	2.7
69.81397	10.6
71.05009	3.3
72.37215	2.5
81.07037	3.6
91.05483	7.0
107.04955	4.0
108.05741	3.3
109.06523	3.9
115.05469	2.6
121.06416	3.2
122.03639	6.1
128.06166	3.3
129.07014	7.0
131.05057	3.0
133.02881	2.9
136.05174	7.2
137.05992	100.0
139.27774	2.9
145.06525	2.6
146.07301	2.8
149.05968	4.3
151.07559	70.3
157.06512	10.5
158.07303	5.4
160.05164	3.1
163.07587	5.0
165.05515	6.2
165.09134	6.3
172.08821	6.3
173.05972	4.3
174.06779	8.1
175.07544	17.4
177.05502	4.3
177.09084	4.3
179.07033	10.7
183.08115	2.7
187.07559	19.2
188.08398	16.9
189.09164	17.1
190.09816	3.2
191.07043	4.4
191.10631	3.0
193.08575	4.6
199.07486	3.9
201.09163	47.0
203.08728	4.4
203.10701	16.5
203.23015	2.9
210.06787	5.4
211.07564	8.8
213.09148	6.4
217.08531	6.2
219.08069	11.3
219.10007	3.0
221.09790	3.5
225.09128	13.2
226.06271	7.3
227.07065	8.3
231.08076	6.8
231.10182	18.2
233.09602	6.8
235.07431	3.4
239.07014	12.4
240.07805	2.6
241.08626	44.9
245.09673	3.7
246.10368	7.6
247.07587	13.0
248.08266	4.8
249.09061	3.7
251.10669	4.0
253.08681	7.0
254.09375	36.3
255.06567	11.9
259.07544	3.0
261.09164	18.8
262.09943	14.4
263.07022	4.1
263.10663	10.2
264.07693	3.8
265.12277	3.8
267.10281	2.7
269.08066	33.2
270.08875	24.2
273.09009	5.5
274.09860	8.6
275.07062	3.0
275.10608	7.0
276.07852	5.1
276.10886	2.7
277.08719	4.0
277.12143	8.5
278.09274	4.9
279.10263	7.0
280.10846	3.0
282.08911	4.3
284.10486	87.5
284.13654	4.2
285.11240	58.9
290.09366	9.7
291.10181	28.7
293.11697	13.8
294.12253	2.7
295.09744	5.3
297.11215	22.4
305.11713	57.4
306.12524	40.6
307.09656	13.3
307.12961	4.6
309.11212	2.4
310.12015	20.3
311.12421	3.9
314.03690	2.7
322.12027	16.2
325.14291	20.2
327.16025	3.1
337.14371	79.9
343.44705	3.3
355.15390	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17099	1.5
65.03928	2.1
66.45947	1.2
70.21273	4.5
71.04984	2.9
79.05486	3.2
86.90771	1.4
91.05479	4.3
93.32508	1.3
94.04195	4.0
95.04975	2.1
107.04951	4.9
108.05771	1.7
109.06534	2.3
111.77176	1.3
115.05446	2.5
115.44935	1.5
115.45722	1.6
119.04963	2.6
121.06560	2.4
122.03648	6.3
125.05984	1.9
128.06274	2.3
129.07010	5.7
131.04930	3.8
133.02840	4.0
135.04434	30.9
136.05212	11.7
137.05992	92.9
139.07553	3.2
143.04935	1.8
145.06497	4.8
147.04359	1.5
149.02338	2.9
149.06012	4.2
151.03940	28.5
151.05019	2.8
151.07555	82.0
153.05396	1.5
157.06465	11.0
158.07285	7.3
159.07997	1.5
160.05209	5.5
161.05928	2.0
163.07494	4.6
165.05478	5.4
165.06934	1.8
165.09120	6.8
167.07028	1.7
168.05730	1.7
171.08090	1.6
172.05249	3.3
172.08839	5.1
173.05966	3.5
174.06728	9.4
175.07547	18.1
177.05499	9.0
177.06837	1.6
177.09105	5.2
179.07056	13.5
181.06453	5.5
182.07362	1.9
185.06143	1.4
186.06699	1.8
187.07556	22.6
188.08307	10.9
189.09128	21.3
191.07069	4.8
191.10599	2.2
193.08640	2.9
197.06010	1.8
198.06752	2.8
199.07513	3.9
201.09125	43.1
202.07968	2.4
203.08730	2.3
203.10631	16.3
207.08104	1.8
210.06761	5.8
211.07611	7.0
213.09181	5.9
215.08601	1.9
217.08577	7.5
218.07428	1.9
219.08096	8.9
219.10144	2.9
220.08734	3.2
223.07574	2.5
224.08382	2.4
225.09138	13.4
226.06252	9.8
227.07036	10.6
230.69421	1.4
231.08061	7.2
231.10210	17.9
232.08784	2.9
233.09720	8.3
234.10481	3.8
235.07509	4.5
239.07005	12.1
240.07747	2.0
241.08614	52.3
242.09193	2.8
245.09697	5.3
246.10406	9.6
247.07561	12.7
248.08339	6.5
250.09793	2.0
251.06923	1.5
251.10793	4.2
252.08022	1.9
253.08591	11.9
254.09419	33.2
255.06615	11.3
255.10088	2.7
259.07608	5.0
259.54736	1.5
261.09152	18.8
262.09869	15.1
263.07202	2.8
263.10727	8.2
264.07864	4.1
265.08585	2.6
265.12247	1.8
267.10114	4.0
268.10931	1.5
269.08112	36.6
270.08884	23.1
273.09167	4.2
274.09879	10.3
275.07071	3.9
275.10699	7.3
276.07892	5.3
277.08777	3.9
277.12253	14.6
278.09326	4.4
279.10245	12.0
281.08136	2.2
282.08798	7.3
283.09622	1.9
284.10458	100.0
285.11227	60.5
290.09491	10.0
291.10159	24.5
293.11740	12.3
294.12482	5.1
295.09650	6.3
297.11258	26.9
305.11749	50.6
305.45096	1.8
306.12488	38.0
307.09689	17.7
309.11121	4.0
310.12012	18.1
311.12704	3.8
319.09622	4.4
319.13278	2.4
322.12042	16.3
323.12796	3.5
325.10754	2.9
325.14359	24.4
327.15991	5.6
337.10880	4.2
337.14365	83.1
355.11737	6.4
355.15451	49.5
356.15756	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	355.1181
Annotation	Seitomycin
Peak:m/z	Relative Intensity
53.03932	1.2
55.01869	3.2
62.04025	1.0
63.43251	1.0
65.03930	2.3
67.05510	2.9
68.99795	2.1
69.03410	1.8
69.07078	1.5
70.96439	2.8
70.96826	1.5
73.92612	1.0
79.05500	2.8
81.03435	2.5
81.07069	2.4
85.02897	1.3
91.05495	3.8
93.03413	1.5
93.07054	1.3
95.04974	1.9
95.37576	1.2
96.02125	1.1
97.06548	3.9
103.05499	2.0
105.07057	1.5
107.04968	2.6
109.02898	2.9
110.03661	1.9
111.04449	5.3
115.05472	2.2
117.03364	1.9
119.04925	1.2
119.08568	1.1
121.02840	1.2
123.04455	3.2
125.05997	5.2
128.06242	2.3
129.07042	10.2
131.04927	2.7
131.08678	2.0
133.02856	3.4
135.04442	34.0
137.02359	4.9
137.06007	13.6
138.03131	4.8
139.03928	24.8
141.05489	1.9
143.04939	3.1
144.05716	4.2
145.02869	2.3
145.06474	3.2
149.02266	1.5
149.05882	1.6
151.02750	2.2
151.03932	35.0
151.05136	2.5
151.07565	4.2
152.07953	1.2
153.05496	38.8
153.06772	2.3
155.04976	1.2
155.06078	1.3
157.06512	7.2
159.04453	1.7
159.08055	4.0
160.05225	1.3
160.08374	2.3
161.05992	2.7
163.03914	3.8
165.05525	1.2
165.07030	2.0
169.94705	1.4
172.05241	4.3
173.06012	6.4
173.27315	1.2
174.06749	1.9
175.07585	4.7
175.14742	1.2
177.05457	5.7
178.07811	1.4
179.08571	3.6
185.06012	100.0
186.06737	4.7
187.07578	40.7
187.09189	2.4
188.08337	7.7
189.05528	2.6
189.07130	1.2
189.09137	4.1
190.07861	1.3
191.07079	6.2
191.08609	3.1
192.07362	3.2
193.05005	1.1
197.05972	1.2
198.06769	1.1
199.07579	2.6
201.05493	2.4
201.09076	1.9
203.07014	2.3
205.06557	2.7
205.08611	1.8
207.08122	4.8
211.07707	1.8
215.07060	5.2
216.09836	1.1
217.08643	3.0
218.07269	1.9
219.08119	10.7
221.06059	1.2
222.06828	1.9
223.07567	1.9
223.11469	1.1
224.08350	1.9
225.05489	6.4
225.08963	1.4
227.07089	3.1
234.06783	2.0
235.07553	12.0
236.08418	2.1
237.09183	2.2
239.07030	1.8
245.87042	1.2
246.06660	1.5
247.07600	10.8
248.08423	2.4
249.05563	2.6
249.09140	3.9
250.06329	2.0
251.07065	1.7
251.10699	1.3
252.07835	2.4
253.04994	1.9
259.07520	2.0
261.09161	2.3
262.06229	3.3
263.07156	5.6
264.07794	7.3
265.04846	1.3
265.08600	5.1
267.10242	2.9
269.04504	2.7
270.05322	2.1
275.07092	5.7
276.07874	3.2
277.08563	9.1
278.05792	3.9
279.06693	2.5
279.10196	6.3
280.07245	2.4
283.06223	1.4
284.06763	4.4
285.07596	5.8
287.30347	1.2
290.05838	1.7
292.07394	3.3
293.08228	15.5
293.11502	2.2
295.06500	1.9
295.09561	6.3
305.08160	16.6
305.11603	2.1
307.05972	6.7
307.09671	11.3
310.08322	4.4
311.12787	2.7
322.08310	5.3
325.10785	21.1
337.10773	35.4
337.14331	2.4
355.07968	2.6
355.11777	21.6
355.15747	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	355.1178
Annotation	Seitomycin
Peak:m/z	Relative Intensity
51.23463	1.2
53.03936	1.5
55.01864	2.6
58.06585	5.6
65.03905	2.1
66.73326	1.4
67.05479	2.4
68.99785	3.0
69.03449	1.5
69.07059	2.8
70.83953	3.8
71.04973	2.0
73.04733	1.3
79.05466	3.2
80.55801	1.3
81.03392	1.6
81.07044	2.8
84.08105	3.0
85.02895	3.1
86.73893	1.3
86.88506	1.4
88.20276	1.4
91.05463	5.8
93.07039	3.0
94.63845	1.5
95.04957	2.5
95.08557	2.3
96.02159	1.6
97.06535	2.0
98.97592	1.5
103.05452	3.6
105.07016	5.2
107.04947	3.0
109.06507	1.5
109.10203	2.3
110.06033	2.6
111.04429	5.9
114.57895	1.3
115.05447	5.4
117.03356	1.6
117.06999	1.9
119.04945	3.4
119.08538	2.2
121.02820	1.6
121.10157	2.3
121.17893	1.3
121.96603	1.4
122.03643	2.3
123.04387	1.9
123.11731	1.5
125.06010	9.0
128.06216	2.2
129.07031	8.9
131.04930	3.1
131.74075	1.6
133.02843	4.6
133.06506	3.3
135.04427	29.1
137.02383	2.3
137.05989	27.5
138.03105	5.5
139.02939	2.3
139.03918	27.9
141.05441	1.9
143.04924	3.0
144.05710	2.1
145.02832	2.8
145.06441	2.9
147.04427	4.4
149.02313	1.7
149.05917	1.6
151.02760	2.0
151.03914	32.6
151.07565	10.0
153.04333	2.8
153.05478	40.1
155.04875	2.4
157.06503	5.8
158.99564	1.7
159.08009	2.3
161.05968	4.8
163.03932	12.2
163.07516	4.4
165.05452	3.9
167.07024	4.3
172.05101	3.3
173.05960	10.9
174.06769	2.3
175.07526	5.4
177.00754	2.3
177.05571	3.2
178.07756	2.5
179.07083	2.8
179.08536	4.6
181.05011	2.5
183.13776	2.9
185.05995	100.0
186.06740	3.7
187.03970	1.8
187.07550	29.8
188.08429	1.5
189.05449	4.2
189.07004	3.3
189.09071	6.7
190.07718	2.9
191.07036	6.2
191.08499	2.3
192.07390	4.0
193.08574	3.8
194.07747	1.3
194.09354	8.2
198.06700	1.7
199.07524	2.5
201.05467	14.6
201.09116	4.1
202.07710	1.6
202.09630	1.5
203.07005	3.5
205.04791	1.7
205.06488	3.9
206.07243	2.0
207.08099	4.4
211.07533	3.3
213.05504	1.6
215.07005	4.8
217.08595	3.8
218.07283	3.4
219.08119	12.0
221.05984	2.8
222.06697	2.4
223.07515	2.4
224.08220	2.6
225.05562	7.3
225.09181	2.9
227.07007	4.0
231.10164	2.1
233.06007	2.5
234.06729	6.0
235.07538	16.6
236.08395	3.0
237.05487	1.9
237.09099	3.1
239.07143	1.8
241.05092	1.9
241.08614	2.9
246.06589	1.6
247.07590	13.2
248.08353	3.7
249.05475	3.4
249.09119	5.2
250.06206	1.5
251.07024	2.1
251.10687	1.8
252.07758	2.7
253.04889	3.0
255.06537	2.3
256.15228	2.1
259.07526	2.6
261.09116	2.5
262.06210	7.4
262.09979	1.5
263.07108	8.0
263.10461	1.5
264.07764	3.6
265.08499	6.4
266.09433	1.9
267.10239	1.8
269.04401	2.5
269.08167	2.8
275.07053	4.1
276.07788	4.5
277.08658	15.6
278.05725	7.0
278.08908	2.4
279.06683	2.5
279.10101	5.7
280.07306	3.3
284.06815	3.0
284.10294	2.9
285.07550	6.5
285.11148	3.9
290.05695	4.7
291.06693	2.5
291.10117	3.8
292.07172	4.0
292.19003	3.0
293.08063	18.4
295.09592	5.9
296.10239	1.7
297.11139	3.3
304.07407	1.9
305.08212	25.7
305.11673	4.3
306.12415	3.0
307.06021	7.3
307.09634	13.1
309.11362	3.1
310.08328	5.8
310.11801	2.2
322.08475	6.8
322.11752	2.1
323.09277	2.2
325.10748	25.6
325.14407	3.2
327.12537	1.6
337.10739	40.1
337.14371	5.4
355.07333	1.6
355.11710	19.6
355.15421	8.3
355.22226	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	355.1179
Annotation	Seitomycin
Peak:m/z	Relative Intensity
53.03946	1.8
55.01875	4.6
55.05512	1.6
58.06615	4.5
60.15464	0.7
65.03946	2.5
67.05512	4.0
68.99797	2.7
69.03430	1.0
69.07073	1.9
70.06583	0.9
71.52535	1.3
77.03954	1.0
79.05496	4.4
81.03422	4.5
81.07077	5.3
83.04992	1.5
83.08619	1.7
85.02891	2.2
85.06545	0.9
87.00830	0.9
89.03923	1.4
91.05481	3.6
93.03415	2.1
93.07035	1.8
95.04971	2.6
95.08588	2.5
97.02906	1.1
97.06551	0.7
100.07635	1.0
100.11248	2.3
103.05476	1.9
105.03445	1.3
105.07037	3.3
107.01295	0.9
107.04968	1.9
107.08588	1.9
108.02101	1.5
109.02893	2.1
109.06517	0.7
109.10174	1.3
111.04422	4.0
113.02393	5.3
115.05459	5.8
117.03343	0.9
117.07017	3.0
119.04890	0.9
119.08591	2.1
121.02883	1.5
121.06550	0.7
121.10150	2.1
122.03674	2.1
123.04453	2.0
123.08034	1.1
123.11752	3.3
125.05962	1.2
125.09663	0.7
128.06223	3.1
128.07104	1.9
128.77679	0.8
129.07030	10.6
131.03403	1.3
131.04930	2.8
131.08556	1.0
133.02844	1.7
133.06551	0.9
133.10153	1.3
135.04428	83.5
135.11745	0.9
135.85266	0.7
137.02403	5.2
137.05989	35.1
137.13271	2.3
139.03949	1.3
141.05490	1.6
143.04945	9.2
144.05722	3.4
145.02875	0.9
145.06516	4.4
145.10121	0.9
147.04414	1.7
147.08034	0.8
147.11702	2.9
149.02357	14.3
149.05992	1.8
149.09637	0.8
151.03922	100.0
151.05017	6.7
153.05482	2.0
155.04932	1.4
155.06042	1.1
157.06509	9.7
158.07246	0.7
159.04401	1.3
159.08073	1.4
159.11720	1.7
160.05206	1.7
161.05971	2.2
163.03932	9.1
163.07603	1.2
165.05469	3.2
165.12769	2.8
167.07030	2.0
171.04451	2.9
171.08080	0.9
172.05173	6.5
173.05978	5.6
174.06746	1.4
175.03908	1.4
175.07576	7.2
177.05490	2.7
177.09161	1.5
178.07813	1.4
179.08560	1.7
181.04987	3.2
182.15411	2.8
185.06039	3.6
186.03181	0.8
187.07556	54.0
188.08353	6.8
189.05458	2.3
189.07143	1.4
189.09099	6.3
190.06227	1.1
190.07756	1.0
191.07072	0.8
191.08595	3.0
193.08591	1.7
195.08144	0.9
198.06792	0.7
199.07730	0.9
201.05486	16.3
201.08936	0.9
203.07033	14.0
203.08763	1.5
205.06717	1.3
205.08620	3.3
205.15752	0.8
206.07330	1.6
207.08104	3.7
210.14902	4.4
213.05464	2.0
215.07074	3.3
215.14288	1.4
217.06581	1.4
217.08434	4.0
218.07312	1.9
219.08043	8.6
221.06033	1.4
222.06837	1.1
223.07286	0.9
224.08464	1.0
225.05466	0.9
227.07027	1.5
231.06459	1.7
233.06059	0.8
233.08061	2.5
233.15378	6.3
234.06836	3.5
235.07500	8.4
236.08353	2.9
237.05443	1.1
237.09183	1.4
239.06944	0.9
239.10805	1.1
241.05040	3.7
246.06752	1.5
247.07565	8.7
248.08289	2.0
249.05539	2.1
249.09146	4.4
250.06232	1.1
251.07031	2.7
251.10733	1.3
251.16498	1.9
255.06622	1.4
259.07599	1.7
261.09222	1.2
262.06201	3.3
263.06873	3.7
264.07867	7.9
265.08649	3.3
266.09335	1.1
267.06549	1.4
267.10120	2.4
269.04453	2.4
273.05496	1.7
274.06226	0.9
275.07040	4.6
276.07895	2.8
277.08539	7.4
278.09222	1.0
279.06900	1.2
279.10150	8.1
280.07312	3.2
280.10724	1.6
281.08066	1.7
282.08853	1.3
283.06036	1.8
284.06830	14.8
284.09821	0.5
285.07523	2.7
287.07034	1.9
290.05795	2.3
291.06641	1.4
291.10046	0.9
292.07376	3.5
293.08078	3.3
294.08905	1.9
295.06512	1.3
295.09607	7.2
296.10144	1.0
297.07672	1.4
297.11133	1.0
304.07291	1.1
305.08099	9.6
306.08749	1.7
307.06174	1.5
307.09671	13.8
309.07910	1.2
309.11072	4.5
310.08307	1.9
311.09033	0.7
319.09607	7.7
322.08289	2.6
323.09152	2.4
325.06870	1.5
325.10742	22.9
325.14279	0.8
327.12299	1.2
337.10699	30.3
337.16666	1.9
337.21210	4.3
355.07339	3.6
355.11771	48.7
355.16840	3.4
355.22351	1.9
356.18628	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1178
Annotation	Seitomycin
Peak:m/z	Relative Intensity
51.81270	0.9
55.01868	3.2
55.05499	1.5
58.06593	4.1
65.03936	2.3
67.05494	3.4
68.99789	3.5
69.03436	2.4
69.07068	1.6
69.21734	2.2
69.22157	6.7
71.04991	1.9
72.08141	2.4
79.05486	2.6
81.03413	2.3
81.07049	2.7
84.08155	1.0
88.31367	1.1
91.01920	1.0
91.05502	4.6
93.03397	3.2
93.07033	2.3
94.04185	1.1
95.04989	1.4
97.06521	1.7
103.05499	1.8
105.07018	2.1
107.04970	3.6
107.08611	1.1
109.02869	2.1
109.06531	1.5
111.04451	1.2
115.05465	2.6
117.07058	1.3
119.04945	0.9
119.08593	1.3
121.02868	3.3
121.10183	2.9
122.03675	2.0
123.04481	2.1
128.06238	3.4
129.07016	8.0
131.04935	2.4
131.08554	3.3
133.02858	3.4
133.10098	0.9
134.07225	1.1
135.04420	3.3
137.02356	12.1
137.04979	0.9
137.05981	22.3
138.03093	1.4
139.03963	1.1
143.04848	1.2
143.08533	1.5
144.05717	6.8
145.02809	1.7
145.06500	4.3
147.04375	2.5
151.03918	57.7
151.07535	3.9
157.06534	5.6
157.10040	1.1
158.07254	1.2
159.08060	2.9
160.05191	2.1
161.05992	3.2
163.03928	6.0
163.07504	1.1
165.05551	2.4
165.06917	1.4
167.03445	1.2
167.07047	2.7
172.05215	11.5
173.05988	4.9
174.06738	3.4
175.03883	2.1
175.06218	1.3
175.07564	9.0
178.07813	2.0
179.08568	2.8
179.10698	1.4
184.24174	1.0
185.05992	2.6
187.07556	100.0
188.08345	17.0
189.05489	3.8
189.07513	1.5
189.09073	9.4
190.07724	1.8
191.08568	3.3
193.04967	1.7
195.07988	1.7
199.07552	3.1
200.08299	1.6
201.05470	3.7
201.09196	1.3
205.06599	1.2
207.08054	5.4
208.08884	1.3
212.08403	1.1
213.05550	1.5
215.08643	1.0
217.06830	1.1
217.08525	5.5
218.07272	2.0
219.08052	9.2
220.08784	1.4
221.06055	2.2
222.06660	1.3
223.07549	1.7
224.08369	1.1
227.07062	3.9
231.06416	1.2
234.06735	2.7
235.07559	9.0
236.08304	4.1
237.05553	1.7
237.09100	2.8
241.05005	2.7
241.08626	1.5
246.06821	1.6
247.07608	10.5
248.08250	2.1
249.05484	2.2
249.09111	2.8
250.06216	1.7
251.06874	1.5
251.10715	1.6
252.07805	2.3
253.08612	0.9
255.06586	1.2
261.09097	1.8
262.06427	1.2
262.09796	1.2
263.07083	7.7
263.09631	1.5
264.07809	10.0
265.05283	1.6
265.08591	5.6
266.09341	1.1
267.10193	3.4
268.07632	1.0
269.04520	1.6
269.08075	1.6
271.06046	1.2
272.20163	0.9
275.07111	4.3
276.07816	3.0
277.08560	6.4
279.07297	1.6
279.10132	9.7
280.07251	3.6
280.10724	2.5
281.07977	1.1
283.05933	2.9
284.06866	14.2
284.09979	1.7
285.07532	3.7
290.05942	1.3
291.06693	1.7
291.10236	2.7
292.07327	4.3
292.10471	1.3
293.08099	5.6
293.11148	1.3
295.09683	11.1
296.10318	2.1
297.07712	1.4
297.11075	1.6
305.08063	5.3
306.12518	1.0
307.06201	1.2
307.09583	18.8
309.07825	1.3
309.11154	2.3
310.08365	2.0
311.09476	1.2
311.12793	2.1
313.10739	2.3
322.08307	3.3
323.12439	1.8
325.10764	11.0
327.12265	3.2
337.10764	25.9
337.14468	1.7
355.07901	3.1
355.11731	14.6
355.16199	5.3
356.18558	2.9
373.10516	1.2
379.36612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1177
Annotation	Seitomycin
Peak:m/z	Relative Intensity
55.01863	3.5
55.05509	1.3
57.03440	2.2
57.07070	1.4
58.06609	9.1
58.90829	1.0
65.03931	3.9
67.05495	4.7
68.99793	3.9
69.03431	3.0
69.07071	2.8
69.26828	10.1
78.84418	1.1
79.05489	4.2
81.03415	2.8
81.07061	7.0
82.79898	1.2
83.08617	2.7
85.02914	4.4
86.09740	5.8
87.00826	1.7
87.10031	3.5
88.89389	1.0
91.05473	4.4
93.03390	3.7
93.07084	6.1
94.37938	1.3
95.04973	1.5
95.08619	4.3
97.02916	2.2
98.21492	1.6
103.03981	1.2
103.05444	2.0
105.07044	7.0
107.04949	3.3
107.08575	4.4
109.02885	2.4
109.06532	2.1
109.10148	2.7
110.03585	1.4
111.04420	1.9
113.02400	11.1
115.05453	4.3
117.03402	1.6
117.07022	4.1
118.07325	1.5
119.04950	2.1
119.08590	3.8
121.02859	3.7
121.06489	2.0
121.10157	3.7
122.03647	5.2
123.04412	4.7
123.08102	1.5
123.11713	4.2
128.06212	3.2
129.07068	6.2
131.04906	3.1
131.08566	4.4
133.02841	4.1
133.06468	1.8
133.10110	2.8
135.04434	17.1
135.08080	3.4
135.11649	2.2
137.02342	9.5
137.05988	49.6
137.13257	4.5
139.03961	1.6
143.04874	2.9
144.05693	5.1
145.02834	3.4
145.06531	6.0
145.10118	2.3
147.04416	3.6
147.08061	1.7
147.11676	2.3
149.02353	18.5
149.09648	1.5
149.13185	1.8
151.03917	71.6
151.07545	3.9
153.05449	3.7
157.06482	5.4
158.03647	1.6
159.08035	4.3
159.11667	2.5
160.05197	1.9
161.05965	3.0
162.06851	1.3
163.03931	16.6
163.07574	1.6
165.05528	2.1
165.12747	5.1
167.03394	1.4
167.06964	2.2
171.08025	1.8
172.05193	7.0
173.06017	8.7
173.13304	1.8
174.06758	3.0
175.03996	3.5
175.07541	8.8
177.05487	2.7
177.12808	1.4
178.07785	2.0
179.08501	2.0
179.14412	1.6
181.05011	1.3
185.06006	5.6
187.07561	100.0
187.14830	1.7
188.08327	14.2
189.05444	3.7
189.07040	2.8
189.09100	11.3
191.08664	4.2
191.14333	1.3
193.04953	1.3
193.08629	1.6
199.07553	2.9
201.03770	2.3
201.05481	23.3
201.09111	4.9
203.06989	3.6
205.06572	2.6
205.08621	3.3
205.15756	1.5
206.07300	4.5
206.09026	3.8
207.08051	3.5
213.05408	2.0
215.14313	4.3
217.08640	6.5
217.10451	1.2
218.07260	3.9
219.08035	11.9
221.05991	2.8
222.06810	1.4
224.08421	2.3
227.07080	2.5
231.10176	2.8
233.06024	3.1
233.15375	12.0
234.06816	6.9
235.07591	11.8
236.08327	3.3
237.05524	2.6
237.09087	4.7
239.10767	1.8
241.04927	2.7
242.08311	1.4
246.06714	1.7
247.07562	11.4
248.08310	1.9
249.05399	2.4
249.09149	5.3
250.06226	2.9
251.07045	3.3
251.10664	2.0
251.16446	4.7
252.07843	2.1
253.04944	1.9
255.06676	1.3
257.08398	1.6
259.07565	1.6
261.09222	2.8
262.06213	7.9
263.07101	9.6
264.07858	11.2
265.05188	1.6
265.08600	7.0
265.11099	1.3
267.10190	5.1
269.04373	2.9
271.08823	2.1
275.07025	5.3
276.07785	4.0
277.08588	13.4
278.09033	1.4
279.06665	3.1
279.10208	7.4
280.07294	3.0
280.10815	2.1
281.07986	3.4
284.06802	8.7
285.07623	3.4
287.07080	1.3
290.05844	10.1
291.06311	1.9
291.17825	5.9
292.07355	5.6
293.08145	7.6
294.08514	2.4
295.09744	9.0
296.10339	1.6
297.07593	2.6
299.08170	1.7
304.07257	2.8
305.08157	20.8
307.06192	2.6
307.09671	18.9
309.11313	2.7
309.18851	5.8
310.08502	2.2
311.08929	1.4
319.09698	5.0
319.15347	1.7
322.08325	4.4
323.09378	1.4
325.10687	20.9
325.14368	1.8
327.07642	3.7
327.12146	1.5
337.10712	55.2
355.07120	64.8
355.11722	27.7
355.16757	5.8
356.07617	2.1
356.18564	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	355.1179
Annotation	Castillene C
Peak:m/z	Relative Intensity
50.01567	0.2
51.02374	0.4
53.03945	0.7
55.01870	0.7
65.03939	1.1
67.05508	0.8
69.77112	1.3
70.06611	0.4
77.03933	0.7
79.05499	2.9
81.07051	0.5
83.30306	0.2
91.05476	0.3
94.04192	0.7
95.01353	0.4
95.04947	0.7
95.08607	0.3
98.20795	0.3
103.05468	0.2
105.03414	0.8
105.04533	0.5
107.04973	0.3
108.02113	0.4
111.04430	0.3
115.05455	1.5
117.07007	1.6
122.03660	1.5
129.07028	0.4
131.04947	0.3
135.04425	100.0
136.04778	0.9
137.05988	27.2
141.05391	0.5
143.04932	6.2
145.06464	0.4
149.02354	16.0
151.03917	21.9
151.05000	1.5
151.07549	1.2
157.06468	0.6
161.06067	0.4
163.03908	1.0
164.54369	0.2
165.05518	0.8
172.53378	0.3
173.06039	1.0
174.06789	0.3
174.89494	0.3
175.03838	0.3
175.07561	2.2
187.07568	0.5
189.09068	0.7
201.05469	0.7
201.09184	0.6
202.09517	0.3
203.07033	1.5
205.08611	2.5
217.08693	0.3
219.08246	0.6
235.07600	0.4
241.08629	0.5
246.06815	0.4
247.07616	0.9
254.09424	0.5
259.07486	0.6
261.08990	0.6
269.08072	0.3
270.08963	0.3
279.09988	0.3
282.08722	0.3
284.10355	1.1
285.11017	0.7
287.07126	0.5
289.08624	0.5
291.09982	0.6
292.07404	0.4
295.09607	0.6
297.11197	0.4
304.07391	0.5
305.11594	0.5
306.12259	0.4
307.09561	0.6
309.11163	0.6
319.09625	3.3
325.06851	0.6
325.10718	11.7
337.10657	2.3
337.14120	1.1
354.33704	0.7
355.11771	35.1
356.12140	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01567	0.2
51.02374	0.4
53.03945	0.7
55.01870	0.7
65.03939	1.1
67.05508	0.8
69.77112	1.3
70.06611	0.4
77.03933	0.7
79.05499	2.9
81.07051	0.5
83.30306	0.2
91.05476	0.3
94.04192	0.7
95.01353	0.4
95.04947	0.7
95.08607	0.3
98.20795	0.3
103.05468	0.2
105.03414	0.8
105.04533	0.5
107.04973	0.3
108.02113	0.4
111.04430	0.3
115.05455	1.5
117.07007	1.6
122.03660	1.5
129.07028	0.4
131.04947	0.3
135.04425	100.0
136.04778	0.9
137.05988	27.2
141.05391	0.5
143.04932	6.2
145.06464	0.4
149.02354	16.0
151.03917	21.9
151.05000	1.5
151.07549	1.2
157.06468	0.6
161.06067	0.4
163.03908	1.0
164.54369	0.2
165.05518	0.8
172.53378	0.3
173.06039	1.0
174.06789	0.3
174.89494	0.3
175.03838	0.3
175.07561	2.2
187.07568	0.5
189.09068	0.7
201.05469	0.7
201.09184	0.6
202.09517	0.3
203.07033	1.5
205.08611	2.5
217.08693	0.3
219.08246	0.6
235.07600	0.4
241.08629	0.5
246.06815	0.4
247.07616	0.9
254.09424	0.5
259.07486	0.6
261.08990	0.6
269.08072	0.3
270.08963	0.3
279.09988	0.3
282.08722	0.3
284.10355	1.1
285.11017	0.7
287.07126	0.5
289.08624	0.5
291.09982	0.6
292.07404	0.4
295.09607	0.6
297.11197	0.4
304.07391	0.5
305.11594	0.5
306.12259	0.4
307.09561	0.6
309.11163	0.6
319.09625	3.3
325.06851	0.6
325.10718	11.7
337.10657	2.3
337.14120	1.1
354.33704	0.7
355.11771	35.1
356.12140	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.118
Annotation	Seitomycin
Peak:m/z	Relative Intensity
50.52566	0.4
51.02373	0.5
52.03165	0.4
53.00303	0.4
53.03949	1.5
55.01874	1.9
57.07074	1.4
65.03954	2.3
67.05511	1.9
67.17440	0.4
68.99802	0.5
69.07050	0.8
70.96481	0.8
77.03929	0.9
79.05504	4.7
81.03417	1.1
81.07070	1.1
91.05478	2.5
93.03446	0.6
93.07050	0.9
94.04197	0.5
95.04990	2.2
95.08525	0.6
101.27367	0.4
102.63461	0.4
103.05462	0.7
105.03374	1.2
105.04533	1.0
105.07058	0.7
107.04935	1.9
107.08595	0.8
108.02095	2.1
109.06522	0.8
111.04463	0.9
115.05434	2.0
117.07021	1.5
119.04946	1.0
119.08610	3.5
121.06518	6.4
122.03660	1.5
123.04444	1.1
124.51097	0.4
127.98763	0.4
128.06216	1.1
129.07019	2.0
131.04945	0.9
133.02873	0.4
133.10132	0.6
135.04430	89.6
135.08008	1.2
135.11676	0.4
136.04755	0.7
137.05988	31.5
137.09633	2.9
137.10544	0.6
138.06407	0.4
141.05470	1.7
143.04945	4.2
145.06483	1.1
147.04361	1.0
147.08078	1.2
149.02361	26.1
149.06009	1.3
149.13260	1.1
151.03923	100.0
151.05023	8.8
152.04239	0.5
155.04900	0.7
157.06528	2.4
159.04434	0.9
161.06006	1.7
161.09660	1.3
161.13292	0.6
163.03891	1.8
163.11122	0.5
165.05519	4.0
167.07011	0.5
171.04449	0.9
173.05965	2.0
175.03943	0.7
175.07574	7.5
177.05481	0.7
177.12764	21.1
181.46425	0.4
183.04456	0.8
185.05988	1.7
187.03844	0.6
187.07513	2.0
189.05382	0.6
189.06987	0.5
189.09096	1.3
190.07877	0.8
191.08914	0.8
191.10686	24.4
191.64069	0.4
195.06514	1.0
199.68510	0.4
201.05478	3.9
201.82030	0.4
203.07004	3.2
205.08646	1.2
213.05467	1.9
218.07323	0.7
219.08113	2.4
231.06526	1.2
235.07469	0.7
243.34975	0.4
246.06805	1.1
247.07510	2.3
248.08214	0.6
249.05583	0.4
249.09084	0.6
251.06903	0.5
251.10858	0.8
259.07562	3.0
261.09222	1.9
262.06131	0.4
264.07739	0.7
265.08585	0.8
267.10287	0.5
274.06161	0.6
275.07126	1.4
276.07846	0.9
277.08591	2.2
279.06647	0.6
279.10257	1.1
282.08954	2.6
284.10309	0.9
285.11041	0.5
287.07016	2.5
289.08643	1.4
291.10071	0.5
292.07199	0.5
293.07965	0.5
295.09637	1.5
297.11041	0.4
299.16397	5.9
304.07236	0.9
305.08142	1.4
306.12000	0.5
307.09653	2.0
309.11218	3.7
319.09683	13.8
322.08301	0.8
325.10690	5.9
337.10706	13.4
337.14102	0.8
337.17560	0.5
355.11758	27.9
355.18970	1.2
355.22720	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	355.1178
Annotation	Castillene C
Peak:m/z	Relative Intensity
50.17065	0.6
51.02393	0.8
51.19840	0.5
53.00296	0.7
53.03949	1.0
55.01877	0.9
55.05516	1.6
57.07071	0.5
62.56015	0.4
65.03938	1.9
67.05508	4.3
68.99796	0.6
69.07073	2.3
70.06592	1.4
70.42789	1.4
71.08636	0.5
73.04735	0.5
77.03930	0.7
79.05498	4.7
81.03415	0.7
81.07059	6.1
83.08633	1.0
86.27127	0.4
91.05495	1.5
93.03401	0.5
93.07053	1.0
94.04200	0.7
95.01350	0.7
95.04989	1.3
95.08617	5.1
97.10189	0.5
99.21121	0.5
103.05457	0.9
105.03397	1.1
105.04480	0.6
105.07048	1.4
107.04945	0.6
107.08607	1.5
108.02094	0.6
109.06554	0.8
109.10163	2.5
111.04424	0.8
115.05469	2.7
115.08698	2.4
117.07046	2.0
119.08586	3.0
121.02881	0.5
121.10153	1.5
122.03661	3.0
123.04436	1.0
123.11716	1.0
131.04938	1.0
133.10146	1.2
135.04427	100.0
135.11740	0.7
137.05986	46.3
137.13286	0.6
138.06335	0.6
143.04921	7.1
145.06517	1.0
147.04384	0.8
147.11693	0.6
149.02356	42.4
149.13287	0.7
151.03918	30.8
151.05016	2.1
151.07544	1.7
159.04465	0.6
160.39694	0.4
161.06044	1.0
161.13286	2.2
163.03943	1.4
165.05481	1.0
167.07072	0.5
173.05998	1.4
175.07605	2.3
187.07614	1.1
189.05530	0.6
189.09184	0.8
201.05516	1.5
201.09023	0.8
203.07077	2.0
205.08620	1.5
218.07251	0.5
219.08090	0.9
239.30782	0.5
241.08743	0.9
245.22708	1.8
247.07553	0.8
259.07523	1.2
261.09192	1.4
263.23688	1.8
269.08090	0.5
275.07126	0.5
277.08478	0.6
282.08926	0.6
284.10452	1.5
285.11292	1.6
287.07114	0.7
289.08655	0.8
304.07208	0.6
305.08350	0.9
305.11765	0.7
306.12460	0.7
307.09711	1.0
309.11200	0.9
319.09695	6.1
325.10748	11.8
325.14127	0.4
337.10678	4.3
337.14383	1.4
337.27231	0.9
355.11771	37.2
355.18274	3.2
355.28214	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	355.1178
Annotation	Castillene C
Peak:m/z	Relative Intensity
51.02384	0.5
53.03937	1.2
55.01868	2.4
55.28985	0.4
65.03943	1.7
67.05504	1.6
69.07076	1.1
71.51987	0.7
73.23854	0.4
77.03930	1.3
79.05499	5.1
81.07053	0.4
86.33140	0.4
91.05462	0.8
91.85052	0.4
93.03371	0.5
93.07043	0.6
94.04212	1.0
95.04972	1.7
105.03396	1.6
105.04530	0.9
107.04945	1.3
108.02105	1.5
109.02860	0.4
111.04490	0.7
115.05469	1.8
117.07030	1.1
122.03649	2.3
131.04910	0.7
133.02859	0.5
135.04425	93.2
136.04739	0.4
137.05983	34.8
139.06480	0.4
141.05464	1.6
143.04927	4.3
145.06461	0.9
146.82690	0.4
149.02357	14.0
149.05994	0.6
151.03918	100.0
151.05017	7.8
152.04198	0.5
155.04860	0.5
157.06470	0.5
159.04449	0.6
161.05997	1.2
163.03906	1.8
165.05472	4.0
167.07025	1.3
171.04411	0.5
173.06003	1.5
175.07542	1.5
177.05510	0.7
183.04434	0.6
185.06004	0.8
187.07558	0.6
189.05544	0.5
190.07802	0.4
191.08580	0.6
195.06564	1.8
201.05458	1.3
201.09192	0.8
202.07860	0.6
203.07024	1.7
203.08696	0.7
205.06683	0.5
205.08629	1.6
213.05446	1.6
218.07326	0.6
219.08063	1.4
229.06726	0.6
231.10179	0.8
246.06728	0.9
247.07622	2.0
249.09137	0.6
259.07626	2.6
260.08304	0.5
261.09204	2.1
264.07993	0.5
269.08014	0.5
274.06265	0.5
275.06964	0.7
276.07959	0.7
277.08554	2.0
279.10013	1.0
281.08075	0.7
282.08875	2.2
287.07053	2.8
289.08569	1.4
291.10117	0.9
295.09717	1.6
304.07193	1.1
305.08194	0.7
305.11725	0.5
307.09708	1.5
309.11243	4.1
319.09662	14.8
319.13495	0.7
325.10718	6.6
337.10709	13.9
355.11761	32.0
355.22540	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	355.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54584	0.4
53.03942	0.7
65.27499	0.5
70.06598	0.5
72.05742	0.4
79.05486	1.3
83.04961	0.5
84.08151	0.6
85.02913	1.0
89.03931	6.8
91.12386	0.4
102.21973	0.4
107.04960	2.4
117.03394	9.0
125.68262	0.5
135.04436	18.1
143.01942	0.7
145.02853	11.3
145.03928	0.4
156.16925	0.4
160.07611	1.2
161.02942	0.6
163.03920	100.0
164.04359	0.7
173.03102	0.4
175.11896	0.6
245.45111	0.5
355.08667	0.9
355.17618	0.9
359.01434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1178
Annotation	Castillene C
Peak:m/z	Relative Intensity
51.02373	0.6
52.03159	0.3
52.90683	0.3
53.00312	0.3
53.03942	1.2
55.01878	2.6
57.03450	0.3
65.03944	2.3
67.05509	1.9
69.07072	0.5
69.09360	0.4
70.71287	0.7
77.03931	1.2
79.05495	3.8
81.03397	0.5
81.07044	0.8
85.02911	0.3
91.05473	0.5
93.03344	0.3
94.04183	1.1
95.04956	1.7
95.08625	0.4
103.05462	0.3
105.03402	0.9
105.04517	0.8
105.07029	0.4
107.04942	1.2
108.02111	1.8
109.02898	0.3
109.06509	0.7
111.04424	0.4
115.05479	2.0
117.06999	1.4
119.08564	0.3
121.06541	0.4
122.03651	2.8
123.04437	0.6
129.06946	0.6
131.04926	0.9
133.02892	0.7
135.04424	92.1
136.01538	0.5
136.04752	0.7
137.05984	39.8
141.05464	2.1
143.04942	4.6
145.06506	0.6
149.02357	13.6
149.05896	0.6
151.03917	100.0
151.05016	8.1
152.04262	0.6
155.04990	0.4
157.06531	0.7
159.04448	0.9
161.05998	1.0
163.03905	1.5
165.05492	3.9
167.07045	0.8
171.04398	0.3
173.05981	1.2
175.07582	1.6
177.05391	0.7
183.04477	0.6
185.06036	1.1
187.03923	0.8
187.07539	0.5
189.05458	0.5
190.07924	0.4
191.08621	0.6
195.06598	1.1
200.04639	0.3
201.05469	0.8
203.07028	1.8
205.06688	0.5
205.08620	1.6
205.10332	0.3
213.05504	1.2
218.07310	0.8
219.08148	1.7
229.06421	0.3
231.08197	0.4
246.06726	0.7
247.07599	1.3
259.07568	2.4
261.09143	1.9
263.10849	0.3
274.06238	0.3
275.07126	0.5
276.07797	0.7
277.08572	1.7
279.10217	0.7
281.08002	0.4
282.08878	1.7
284.10657	0.4
287.06970	2.4
288.07669	0.4
289.08582	1.2
291.10046	0.4
295.09644	0.9
304.07278	0.9
305.08109	0.8
307.09540	1.8
309.11194	3.1
319.09662	12.5
325.10678	6.1
337.06714	0.6
337.10745	11.4
355.11768	30.8
355.28204	1.9
356.12296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.05516	4.1
56.05043	4.2
57.03428	1.2
57.07072	1.5
60.04505	0.6
62.66765	0.6
67.05511	12.0
69.07074	6.0
70.06599	0.9
71.04987	0.7
71.44580	1.1
72.13543	0.5
74.06084	81.8
79.05483	3.4
81.07058	11.0
83.08619	1.6
89.02204	0.6
91.05494	2.3
92.07122	100.0
93.07021	3.3
95.04985	1.0
95.08605	7.6
97.06499	1.0
97.10193	1.4
105.07038	1.8
107.08601	1.9
109.10160	2.5
111.77266	0.6
121.10132	1.4
121.15642	0.6
123.11726	1.5
128.07062	2.3
133.10118	1.3
135.04417	1.7
135.11703	0.9
136.04726	0.8
137.05960	1.6
149.02313	2.6
151.11136	0.8
163.03873	0.7
171.17178	0.7
294.26993	0.6
336.12988	1.2
336.28958	46.6
337.26944	3.3
354.30014	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	354.3372
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05312	1.5
55.05524	15.8
57.05801	2.8
57.06835	1.9
57.07089	21.5
58.02959	3.4
58.06348	2.4
58.06609	26.1
60.04548	3.7
67.05521	11.4
68.34630	1.5
69.07082	26.2
69.15231	3.6
69.15637	14.2
70.02953	3.8
70.06601	9.2
71.05009	2.3
71.08654	10.0
72.04526	4.0
74.06092	2.4
77.68193	1.6
79.05511	3.9
79.64777	1.5
81.07072	12.8
82.06597	2.0
83.08636	17.5
84.08166	8.7
85.10196	3.6
86.06072	7.5
86.31912	1.3
87.06860	1.6
88.30731	1.9
91.05470	1.7
93.07047	3.1
95.08068	1.9
95.08627	18.7
96.08201	1.8
97.10196	13.3
98.06126	1.7
98.09690	2.5
103.07595	2.3
107.08604	2.7
109.06564	1.8
109.10183	9.8
111.11730	4.2
112.07674	1.9
121.10257	2.2
123.11736	4.7
128.72307	1.5
130.94914	1.6
142.97566	1.5
166.60536	1.9
268.30298	2.9
294.31528	2.9
306.31604	4.7
307.29999	2.0
308.33099	4.3
326.34189	5.4
336.32642	11.3
354.33734	100.0
355.34122	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	355.1024
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
58.73807	0.3
63.02394	0.3
67.05505	0.4
70.70868	0.8
70.71230	0.6
77.03913	0.4
79.05490	0.8
83.04996	0.6
84.08134	0.3
85.02900	0.8
89.03919	5.7
90.20773	0.3
95.04948	0.3
98.97566	0.7
99.19016	0.3
107.04970	1.9
110.97533	0.5
111.04391	0.4
114.56934	0.4
117.03379	8.7
135.04417	16.3
145.02844	12.1
145.04012	0.5
148.07605	0.7
149.07910	0.4
151.03815	0.3
160.07571	1.5
161.07910	0.7
162.08209	0.5
163.03908	100.0
164.04237	1.0
165.42537	0.4
175.05095	0.8
176.77269	0.3
181.04750	0.3
193.05994	0.7
219.01686	0.4
324.13678	0.4
355.11807	0.4
355.17587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1025
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
60.29884	0.5
63.02386	0.4
69.06274	0.4
70.42165	1.3
72.97630	0.4
79.05508	1.1
89.03920	9.0
93.03378	0.5
95.04987	0.5
107.04957	2.6
117.03391	10.8
122.12916	0.4
133.19038	0.4
135.04422	18.2
139.79858	0.4
140.46278	0.4
145.02856	13.3
163.03911	100.0
164.04269	0.9
178.16934	0.4
235.06029	1.1
239.94783	0.4
286.69843	0.5
289.07059	0.5
299.73096	0.4
327.85727	0.4
374.07776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1026
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.14166	0.2
52.80849	0.2
63.02375	0.5
67.05536	0.2
70.90687	0.3
70.91015	0.4
79.05503	0.8
83.04994	0.6
84.02811	0.3
84.75135	0.3
89.03927	5.8
91.15747	0.3
107.04983	1.7
117.03396	8.5
135.04434	16.2
145.02872	11.7
145.03905	0.3
156.17328	0.3
163.03922	100.0
164.04260	0.9
181.04903	0.5
193.04968	0.5
226.28310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2642
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
53.03951	1.8
55.01881	3.0
55.05513	7.0
57.03439	5.3
62.06097	100.0
67.05514	17.3
69.07075	8.9
71.04999	8.1
79.05499	19.5
81.03401	3.5
81.07064	14.6
83.04994	2.7
83.08626	3.2
91.05505	11.4
93.07047	17.7
95.05013	2.6
95.08611	9.1
97.06541	13.9
97.10180	2.7
98.06068	4.3
101.33675	1.8
101.55546	1.7
105.07037	11.1
106.53114	2.0
107.04964	1.9
107.08578	9.0
109.06532	2.0
109.10154	3.9
111.08086	5.2
117.07063	3.6
117.21736	1.5
119.08573	8.5
120.59312	1.7
121.10158	7.0
123.11722	1.6
125.09631	1.9
130.08517	1.8
131.08583	6.1
133.10155	7.5
135.04428	47.7
135.11716	2.7
136.04770	25.3
137.06030	2.3
138.12791	6.8
143.08589	3.1
145.10152	5.4
147.11711	3.8
149.02333	5.2
149.09633	2.4
150.02759	3.6
151.07516	2.4
153.12744	3.6
159.11690	2.9
161.13361	2.2
163.04021	2.4
165.06734	1.7
173.06056	2.7
173.13217	4.0
174.06416	2.3
175.07542	2.2
177.12794	2.0
182.06793	1.9
184.13326	2.1
187.07556	2.0
189.08966	2.0
189.12746	2.3
196.13284	2.3
200.58208	1.8
201.09181	2.5
202.09436	3.8
210.14963	9.6
214.14496	2.9
228.16051	10.6
231.10268	2.0
232.08334	2.2
232.10510	3.2
248.08022	2.4
257.19070	2.9
266.21188	6.3
275.20038	10.6
277.21594	2.2
278.12512	3.1
280.22806	2.4
283.09302	4.8
284.10104	5.4
290.09045	4.8
294.08200	2.4
294.24289	4.1
305.11566	2.8
306.12228	2.5
318.24368	12.9
324.09506	8.0
324.13165	4.0
326.14642	2.9
336.13184	5.2
336.25366	83.4
354.10507	15.7
354.14319	7.9
354.22757	2.8
354.26483	37.4
355.15326	2.9
360.95328	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	354.264
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
50.86941	0.8
52.77836	1.1
53.03955	7.7
55.01875	3.2
55.05270	1.4
55.05518	21.0
57.03422	1.4
57.06880	0.9
57.07085	9.7
60.95184	1.0
61.02922	8.8
62.86110	0.9
65.03928	1.8
67.05512	36.6
69.03426	2.0
69.07076	31.1
69.85606	4.6
70.06590	4.0
71.08659	2.0
72.08163	60.0
77.03944	1.3
79.05502	51.2
80.05047	1.3
81.03429	8.6
81.07063	34.4
82.06602	1.1
83.04976	1.6
83.08623	3.1
91.05475	12.4
93.03395	1.8
93.07055	28.5
94.06590	1.9
95.04984	6.8
95.07349	1.2
95.08616	28.0
96.08137	1.5
96.13980	0.9
97.10162	2.1
98.06024	2.2
98.20798	1.8
103.06155	1.0
105.03391	1.9
105.07055	4.8
107.04967	75.0
107.08597	14.1
108.08105	2.1
109.06544	1.4
109.10156	6.3
110.06052	2.6
111.11766	1.2
117.07063	4.8
119.08584	6.8
121.06517	4.2
121.10161	21.1
122.06047	2.6
123.08029	1.4
123.11718	3.3
124.07576	1.1
126.09240	1.1
128.22745	1.1
131.08592	4.2
133.10149	2.4
134.09659	2.0
135.04433	4.6
135.08052	2.9
135.11725	6.7
136.04759	2.9
136.11189	2.8
137.13292	6.3
140.10738	2.3
145.10167	4.1
147.11670	1.5
149.09645	2.0
149.13290	1.4
151.03937	1.4
151.07564	1.8
161.13293	2.5
163.03970	1.4
163.14844	2.6
164.10750	3.8
177.16388	8.3
187.14838	4.5
201.09152	1.1
202.09479	2.1
205.15881	35.3
223.16978	1.5
232.10503	1.3
244.21445	1.2
246.22256	1.9
248.23796	7.2
262.22583	2.8
276.23251	72.1
277.23718	1.3
283.09485	1.9
283.19058	1.6
284.10013	2.1
293.11298	1.4
296.52747	1.1
305.11377	1.9
336.13031	3.0
336.25366	100.0
337.25601	1.7
354.14127	2.1
354.26443	8.3
354.33640	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	7.0
55.05503	23.6
57.07058	10.6
61.36826	4.9
67.05512	76.4
69.03455	5.5
69.07056	20.2
69.23495	53.5
71.04992	5.9
79.05494	41.8
81.07061	67.2
83.05006	37.2
83.08642	7.2
84.88808	5.5
86.08055	5.2
87.42942	5.1
91.05476	35.7
93.07059	77.3
95.04952	32.6
95.08620	40.9
97.06516	9.4
105.07055	26.1
107.08601	47.5
109.06545	66.7
109.10165	100.0
111.04439	8.0
119.08583	10.1
121.10130	21.2
123.08087	14.5
123.11737	23.0
125.06061	8.5
133.10143	15.3
135.04422	36.1
135.11720	29.5
136.04764	20.8
137.05948	9.5
137.40834	4.9
139.11191	20.4
145.06470	7.0
151.07556	21.0
151.11208	33.5
152.07915	6.2
152.11906	7.9
175.07535	6.9
187.80138	6.1
188.08185	8.1
201.09135	10.0
202.09505	11.9
208.35658	5.5
226.05801	6.4
231.10210	14.2
232.10519	11.3
240.07246	6.9
241.08662	7.4
253.08344	9.0
254.09328	6.8
262.09195	5.5
268.06927	7.9
269.07843	15.2
278.09067	6.0
283.09354	18.3
284.10156	24.5
285.11121	10.5
290.09024	6.7
291.10214	6.8
304.10748	7.0
305.11520	19.9
306.12073	16.3
309.10757	6.2
324.13037	10.6
336.13135	22.5
354.14111	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.3
58.06580	0.4
68.05028	0.4
71.52923	0.5
72.08170	0.3
79.05514	0.3
81.05791	0.5
81.07012	0.3
92.04989	0.4
100.11275	0.5
105.07060	0.4
109.05220	0.4
120.04478	0.8
122.03590	0.3
124.05211	1.2
132.08090	0.6
132.36737	0.3
133.81793	0.3
135.04398	2.1
136.04820	0.4
137.04736	12.6
137.05956	1.5
137.36713	0.3
144.08069	2.5
148.03918	0.6
149.02319	0.6
151.03926	0.5
151.07524	0.6
152.07071	20.3
162.05542	0.4
163.03877	0.6
164.27362	0.3
164.47420	0.3
165.04185	0.8
167.06967	0.3
173.05916	0.3
175.12340	1.1
178.04948	0.3
180.06569	100.0
181.06866	0.6
186.06339	0.7
187.07585	0.3
201.08963	0.5
202.09590	0.4
218.87338	0.3
239.06979	0.3
249.08926	0.4
253.08360	0.4
270.78149	0.3
278.09204	0.3
283.09293	0.4
284.10208	0.4
305.11084	0.3
306.08481	0.4
321.10501	0.4
322.60709	0.3
336.13110	0.6
337.10849	0.3
354.10449	0.3
354.14154	0.7
354.18085	2.0
355.11737	0.5
367.61652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
55.01860	6.7
55.05513	3.3
56.10999	1.4
57.03450	6.9
59.62019	1.6
59.73437	1.6
59.86967	1.4
60.39257	1.2
61.02921	6.4
67.05499	4.2
68.99777	2.1
69.03088	2.5
69.03437	35.2
69.07053	2.8
70.06597	2.6
71.05000	7.0
71.36417	2.8
72.08150	2.1
73.02901	6.5
79.05482	2.0
81.03427	26.4
84.08121	2.7
85.02918	100.0
86.09705	2.2
87.00836	47.0
91.05466	1.8
93.07018	1.6
95.04946	1.7
97.02906	28.8
97.10181	1.4
99.04485	11.9
105.01882	78.5
107.08580	3.2
108.04472	1.9
109.02897	28.5
109.10163	2.4
117.01851	2.2
125.09668	2.0
127.03935	68.7
129.01828	3.5
133.06454	1.8
136.06172	1.5
145.03915	2.7
145.04984	35.6
147.02911	1.7
147.04398	3.4
151.07578	3.4
157.12234	2.0
159.02933	12.6
167.15480	1.9
171.02982	1.5
173.11623	2.0
183.71884	1.9
189.03853	2.1
213.03972	3.4
215.09134	2.9
229.14392	2.5
231.05002	26.1
249.05946	7.7
322.11594	1.7
326.07623	2.1
326.24310	4.5
339.10959	2.7
354.06641	2.3
354.13840	4.1
355.17310	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	354.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24556	2.2
53.03928	3.4
53.69462	1.8
55.01866	3.6
57.03422	8.4
61.02917	4.5
63.54332	1.8
69.03091	2.7
69.03439	47.7
69.07037	2.4
69.37074	9.2
69.37498	6.4
70.06592	3.6
71.01337	2.1
71.04988	9.5
73.02916	4.4
76.11443	1.8
79.05483	5.5
81.03423	26.1
83.01307	1.9
83.04997	1.9
85.02911	86.8
86.09703	6.0
87.00841	39.9
93.07066	5.2
97.02290	3.8
97.02897	62.5
97.11900	1.9
97.21076	1.8
99.04465	22.0
101.72063	1.9
105.01870	70.9
109.02887	22.5
117.57463	2.1
121.10130	4.5
127.03926	100.0
129.01843	3.4
132.10178	2.2
142.08670	3.0
145.04974	61.7
146.08061	4.5
149.09604	6.3
155.83318	2.1
157.08609	3.5
159.02893	5.7
171.02917	2.5
188.09218	4.6
213.04002	3.6
231.05020	47.8
249.04254	1.8
249.06119	21.2
354.16980	2.3
355.17398	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	354.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01865	3.3
57.03440	3.4
57.75390	3.2
69.03432	23.7
70.06600	4.8
70.69454	5.9
71.05003	3.3
73.02914	4.4
81.03420	13.9
83.98852	2.1
84.08136	4.0
85.02917	65.6
86.09690	8.2
87.00845	30.7
91.05482	4.0
93.79953	2.3
97.02910	18.7
99.04453	8.6
100.11265	3.3
103.05555	2.6
105.01885	54.7
107.08581	4.2
108.04579	2.7
108.08121	3.0
109.02892	19.9
110.06048	2.9
114.05493	4.1
115.89707	2.4
117.01822	2.9
117.07006	3.5
119.08607	4.3
127.03925	53.9
128.07092	18.5
133.10094	3.7
135.08037	4.2
138.05496	4.4
143.08572	3.8
145.04982	28.2
146.09642	5.3
147.08009	3.9
159.02899	9.2
162.05518	3.4
163.03896	2.7
163.07617	2.8
182.08142	13.3
189.09209	3.4
192.06577	18.2
206.11781	8.1
208.06012	8.3
215.71555	2.3
222.07608	4.0
224.12859	20.7
230.68692	2.4
231.05063	20.9
249.06102	7.8
262.14505	3.7
266.10236	5.5
290.13837	3.4
308.14981	20.5
326.16089	6.6
336.14432	100.0
337.14679	9.0
354.15570	33.6
354.19290	4.7
355.17133	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03945	1.9
55.01871	1.7
55.05309	1.0
55.05517	10.0
57.03440	2.9
57.07066	2.9
65.03937	2.5
67.05508	63.3
69.07070	10.7
71.04996	3.1
71.17197	1.8
71.17528	1.4
75.04473	1.2
79.05499	35.7
81.07062	75.9
83.08624	5.7
85.06535	2.6
86.55750	1.2
90.18349	1.0
91.05489	16.7
93.07050	43.2
95.04939	1.9
95.08613	53.9
97.06528	3.0
97.10159	2.4
105.07033	10.5
107.08602	30.7
107.27020	1.2
109.06520	1.4
109.09475	1.9
109.10164	32.0
111.08051	1.3
113.09627	1.6
117.07030	6.6
119.08582	11.6
121.10146	25.5
123.11706	19.7
125.09589	1.5
131.08578	17.8
133.10159	11.7
135.04382	2.5
135.11697	24.0
137.09615	1.5
137.13260	7.8
139.11125	1.2
145.10120	14.9
147.11740	8.8
149.09636	1.2
149.13271	18.4
151.11174	1.3
151.14801	2.0
153.12744	2.1
153.59044	0.9
159.11697	14.7
161.13275	9.4
163.11235	1.8
163.14830	11.3
165.12810	1.4
173.13264	13.8
175.14850	4.6
177.16374	4.8
178.14511	1.3
179.14349	1.4
183.11598	1.0
187.14857	10.9
191.14233	1.4
201.16338	2.7
215.17993	1.8
226.87399	1.1
233.22597	4.3
243.19099	0.8
243.21088	26.6
261.22153	100.0
262.22617	1.7
263.23688	1.5
275.00000	1.1
279.23126	4.8
299.28564	1.4
317.24573	1.2
335.25784	9.7
353.26865	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.02369	1.5
53.03947	2.7
55.05514	14.4
57.03433	4.5
57.07073	3.2
65.03957	2.2
67.05511	96.2
69.07079	14.0
70.21883	5.1
71.04990	3.1
71.08611	1.2
77.42539	1.2
79.05500	42.9
81.07066	100.0
83.08620	6.8
85.06550	2.7
90.15513	1.2
91.05489	17.4
93.07054	54.6
93.07642	2.9
95.04965	2.6
95.08616	73.3
97.06551	3.1
97.10185	3.3
99.08117	3.2
105.07033	17.5
107.08601	36.3
109.10171	39.5
110.57291	1.5
111.08115	3.2
113.09641	1.8
117.07037	8.7
119.08605	13.2
121.10151	31.7
123.08081	1.7
123.11728	22.6
123.45892	1.2
125.09657	1.9
131.08569	18.9
133.10149	14.3
134.86629	1.3
135.04436	7.9
135.11703	26.0
137.09625	2.5
137.13234	7.4
145.10153	15.6
147.11691	13.1
149.13271	19.2
151.07538	2.6
151.11259	1.5
153.12830	1.6
159.11711	14.1
161.13283	9.8
163.14822	15.8
165.12773	1.4
173.13274	16.1
175.14841	4.3
177.16415	5.0
178.06068	1.4
179.14246	1.7
187.14883	11.0
191.14342	1.8
201.09090	2.2
201.16486	2.5
205.15941	1.7
215.17943	1.8
231.10255	2.7
233.22681	2.4
243.21117	25.5
252.07898	1.6
261.22171	90.6
262.22327	1.6
263.24051	1.6
279.23184	5.8
282.09036	3.0
283.09613	4.1
304.10864	2.8
305.11841	2.2
308.10400	1.4
323.12854	2.0
335.12756	2.7
335.25891	16.4
353.14102	1.4
353.22470	1.5
353.26904	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	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.05526	19.0
57.03434	5.9
57.07101	4.7
65.03936	3.9
67.05514	95.2
67.85324	2.0
69.07079	44.4
71.04986	5.7
71.52357	3.1
79.05499	45.2
81.03408	2.2
81.07066	100.0
83.04980	2.5
83.08631	6.1
91.05492	23.6
93.06487	3.3
93.07054	55.7
95.04949	3.1
95.08620	69.9
97.06565	2.7
97.10194	4.6
105.07013	11.9
107.08617	36.9
109.10175	42.2
115.05421	3.0
117.07029	11.8
119.08612	12.8
121.10175	32.9
123.11744	19.7
129.07004	4.5
131.08588	19.3
133.10121	14.6
135.04434	36.7
135.11708	27.0
137.05989	5.8
137.13251	8.9
141.06886	2.2
143.08586	3.0
145.06488	2.9
145.10135	15.3
147.11728	12.5
149.13280	19.5
151.07574	9.0
151.14900	2.2
153.07013	2.6
157.06596	3.4
158.07248	5.2
158.40256	2.1
159.11679	13.3
161.13278	8.3
163.07523	2.6
163.14824	11.8
165.05605	2.9
165.06937	5.1
166.07878	2.6
167.08559	5.4
172.08820	3.1
173.06007	5.5
173.13258	15.1
175.07579	2.3
175.14809	2.6
177.12767	3.4
177.16365	3.5
179.07198	2.9
179.08614	7.5
179.14244	2.2
181.06557	6.1
181.10117	4.5
182.07338	2.3
183.08063	2.5
185.05896	2.2
186.06895	3.5
187.07497	4.4
187.14822	8.4
188.08348	3.4
189.09093	2.2
191.14352	3.2
192.09261	2.3
193.10210	5.2
194.07268	3.0
195.08104	14.1
195.11676	5.5
196.08746	2.5
197.05984	3.5
197.09674	4.8
199.07570	4.2
201.09129	24.7
202.07747	2.4
203.08669	3.5
203.10681	5.8
205.10349	2.9
207.08061	3.5
207.11665	3.8
209.06056	2.8
209.09653	16.4
209.13283	3.7
211.07585	5.8
211.11345	3.0
213.09294	3.9
213.12781	2.3
219.08162	4.2
219.11545	2.6
220.08774	3.0
221.09657	5.6
222.06897	4.1
222.10464	5.2
223.07596	5.3
223.11240	8.7
224.08365	3.2
224.12064	2.5
225.05548	3.2
225.09167	10.3
225.12709	3.4
227.10698	6.6
229.08661	3.9
231.08109	4.5
231.10201	10.7
232.08965	2.3
233.09727	4.4
234.06776	2.5
234.10500	2.7
235.07500	5.5
235.11156	3.7
237.09103	6.8
237.12788	9.4
238.10002	4.4
239.07037	6.7
239.10704	8.0
240.11562	3.3
241.12285	5.7
243.21112	29.7
246.10164	2.5
247.07486	2.8
247.11243	4.8
248.08350	2.6
248.12128	3.2
249.09122	5.1
249.12607	2.8
250.10214	2.7
250.13242	2.8
251.06952	3.3
251.10835	3.5
251.14253	4.3
252.07779	5.1
252.11526	12.2
253.05087	2.6
253.12343	5.3
254.13023	2.8
255.13924	8.6
259.07791	2.7
260.08353	3.4
261.09119	7.9
261.22177	92.2
262.06351	3.4
262.09921	3.7
263.07321	2.0
263.10712	2.7
264.11325	3.3
265.12183	18.0
266.12854	2.8
267.06482	4.7
267.13809	10.9
268.07297	6.2
269.12061	4.8
269.15402	14.7
275.10678	4.1
275.14203	2.1
276.08017	3.0
277.08734	8.3
277.12027	5.3
279.06662	2.4
279.09875	2.5
279.13916	3.0
279.23181	5.9
282.08954	11.1
283.09702	15.3
284.14084	3.5
285.14792	4.9
288.07861	2.8
289.08582	5.0
291.10236	6.7
291.17432	7.6
292.10956	4.2
293.08200	3.3
293.11734	4.8
293.15182	4.7
293.18991	3.1
295.09665	5.6
297.14853	12.5
303.10098	9.2
304.07852	2.5
304.10815	11.4
305.08362	2.6
305.11755	6.4
307.09653	3.2
308.10443	5.0
309.11374	4.1
320.10406	5.6
321.11139	4.4
323.12753	7.0
323.20084	35.8
325.21674	17.9
335.12808	26.2
335.19904	4.7
335.25854	17.5
353.14035	40.3
353.21127	71.8
353.26828	31.2
354.21768	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	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.4
53.03949	4.5
55.05516	14.5
57.03431	3.1
57.07070	3.8
65.03941	2.5
66.97051	1.2
67.05513	75.8
69.07072	11.2
70.02052	2.3
70.02414	4.8
71.05000	3.6
71.08632	2.7
71.09461	1.2
79.05501	45.7
80.10194	1.3
81.07066	83.4
83.04967	1.8
83.08628	7.7
84.98489	1.1
85.06548	3.7
91.05493	21.6
91.35131	1.2
93.07054	57.5
93.07647	2.8
95.04984	2.7
95.08617	67.3
96.90590	1.2
97.06521	3.3
97.10191	3.6
99.08096	1.7
103.03878	1.2
105.07034	15.9
107.08605	41.5
109.06512	2.0
109.09471	2.5
109.10172	35.4
111.08098	2.4
117.07034	9.7
119.08588	17.3
121.10154	30.0
121.11043	1.7
123.08057	1.3
123.11728	17.8
128.62923	1.4
129.06958	2.0
131.08597	17.5
133.10150	14.3
135.04422	14.1
135.11716	25.8
137.09602	2.4
137.13287	7.0
143.81046	1.5
145.10146	17.6
147.11713	10.9
148.76166	1.2
149.13287	20.1
151.07599	6.7
151.14784	2.4
153.12762	2.2
159.11729	15.0
161.13252	8.3
163.14836	15.0
165.12733	1.8
173.05968	2.3
173.13297	17.4
175.14850	4.2
177.12714	1.4
177.16409	4.5
179.14326	1.7
187.14824	11.6
188.08363	2.2
193.23555	1.4
201.09113	6.0
201.16360	2.4
203.10822	1.9
209.05969	1.3
225.09468	1.2
231.08115	1.8
231.10175	2.9
233.22681	3.3
239.07149	2.5
243.21120	27.5
248.76900	1.3
252.07896	2.7
253.05179	1.7
253.08504	1.7
261.09283	1.4
261.22162	100.0
262.22644	1.4
267.06750	1.3
268.07129	1.5
273.09244	1.6
274.09933	1.4
277.08710	1.5
277.12207	1.2
279.23196	3.0
282.08868	5.5
283.09665	6.9
283.12366	1.3
289.08649	3.1
291.10245	1.3
293.11621	1.6
295.09631	1.5
303.10150	2.3
304.10977	4.2
305.07928	1.5
305.11630	2.1
320.10248	1.9
323.12802	2.2
335.12778	5.3
335.25897	9.1
353.13895	3.7
353.26898	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.269
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03965	5.6
55.05520	9.8
57.03442	5.8
57.07065	6.1
66.01683	2.0
67.05514	90.5
69.07085	14.9
69.37976	6.4
69.38400	10.0
71.04976	2.7
71.08627	3.2
79.05505	50.4
81.07066	100.0
83.04962	2.6
83.08617	6.7
91.05489	27.9
93.07056	57.5
93.55264	1.9
95.04964	2.6
95.08620	73.3
97.06556	3.3
97.10153	4.6
99.08089	5.0
105.07050	17.4
107.04976	2.2
107.08613	44.7
109.10168	27.9
117.07042	9.5
119.08577	12.0
121.10155	30.9
123.08063	2.1
123.11718	15.1
129.07031	3.4
131.08586	23.2
133.10118	8.3
135.04431	34.9
135.11711	26.7
137.13254	7.6
145.10138	13.8
147.11710	11.4
149.13268	21.1
151.07559	12.3
151.14821	5.1
152.51833	1.9
153.12790	2.8
157.06451	2.7
158.07243	2.5
159.11739	10.2
161.13255	9.7
162.59200	2.1
163.11197	3.5
163.14848	18.4
165.09151	2.2
171.61925	2.1
173.06030	5.5
173.13281	15.5
175.14816	2.9
177.16370	4.8
187.07507	2.4
187.14833	7.6
201.09138	14.7
203.10721	5.1
205.15912	3.5
214.02110	2.3
219.08057	2.4
231.10248	5.3
233.22635	3.0
239.07111	5.4
243.21118	33.5
252.07843	5.8
253.04887	4.3
261.22168	98.0
262.22473	2.9
267.06497	2.5
268.07333	3.9
273.08984	3.0
274.09857	3.1
277.08826	2.8
277.12299	3.0
279.23108	3.1
282.08881	8.0
283.09616	12.4
289.08652	8.2
295.09821	3.3
303.10181	5.0
304.10989	8.5
305.08307	3.3
305.11703	6.5
308.10553	3.9
309.11435	2.5
320.10526	4.9
323.12909	5.5
335.12683	16.4
335.25858	15.3
353.13882	10.6
353.26788	9.5
354.33627	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.05520	12.7
57.03435	4.4
57.07081	2.9
65.03944	2.7
67.05513	72.6
69.07080	14.0
71.04992	3.4
71.52284	1.3
75.04462	1.3
79.05504	41.5
80.00669	1.1
81.07066	79.6
83.08633	7.2
85.06551	3.1
88.73476	1.2
90.31432	1.0
91.04971	1.8
91.05494	19.0
93.07055	55.5
95.04948	1.8
95.08621	60.1
97.06532	2.7
97.10193	2.3
99.08080	3.4
105.07043	17.1
107.08605	35.2
109.10171	32.0
111.08093	2.6
111.11730	1.3
113.09650	2.6
117.07057	8.5
117.16900	1.1
119.08592	14.0
119.77065	1.1
121.09332	2.2
121.10162	30.7
123.08112	1.5
123.11717	15.1
129.07005	1.9
131.08578	19.6
133.10143	13.6
135.04431	11.8
135.11705	25.9
137.06024	1.7
137.09618	1.6
137.13271	7.3
145.10138	13.8
147.11707	11.7
149.13269	20.2
150.77974	1.2
151.07571	4.1
151.11186	1.6
151.14850	2.3
153.12730	1.2
156.86040	1.2
159.11711	14.4
161.13280	9.1
163.14868	12.8
165.12820	2.4
173.06007	3.3
173.13283	15.7
175.14880	3.1
177.12766	1.2
177.16365	4.7
179.14372	1.8
182.66162	1.0
187.14812	10.1
188.08365	2.6
189.16365	1.5
191.14348	2.1
201.09126	4.6
201.16391	4.0
203.10730	1.5
209.05974	1.6
219.07910	1.2
219.17416	1.7
225.05527	1.3
231.08069	1.2
231.10208	3.9
233.22688	4.0
239.07066	1.6
243.21129	26.8
252.07838	2.3
253.04977	1.3
260.08554	1.6
261.08990	2.6
261.22171	100.0
263.23782	1.6
268.07327	2.0
279.23227	4.6
282.08902	5.6
283.09631	5.2
289.08670	3.2
293.11771	2.0
303.10141	2.3
304.10910	4.8
305.08197	1.7
305.11533	1.8
308.10486	1.4
317.25174	1.2
320.10522	1.8
323.12720	3.6
323.19992	1.4
335.12897	9.1
335.25882	9.1
353.14072	9.9
353.22192	2.1
353.26910	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	3.1
53.16046	1.3
55.05508	11.6
57.03449	5.6
57.07090	5.6
60.52003	1.1
65.03963	1.6
67.05510	89.0
69.06767	1.2
69.07081	12.1
69.34087	10.3
71.05003	3.2
75.04512	1.7
77.03916	1.2
79.05497	38.4
81.07064	92.5
83.04988	1.4
83.08614	6.9
85.06561	3.3
87.39752	1.0
91.05481	16.4
93.07053	51.5
95.05007	2.3
95.08611	68.7
97.06547	3.5
97.10191	3.0
99.08108	3.2
105.07038	17.4
107.08604	32.2
109.06570	1.9
109.10172	34.5
111.08125	1.3
111.11761	1.7
112.25724	1.1
113.09622	1.6
117.07026	7.1
118.93027	1.3
119.08576	15.7
121.10151	34.4
123.11724	20.9
125.09663	1.5
130.07701	1.3
131.08582	17.1
133.10129	12.6
135.04436	6.7
135.11696	22.4
137.09656	2.2
137.13275	9.1
139.11218	2.0
145.10146	12.9
147.11713	12.1
149.13264	19.5
151.07501	2.0
151.14828	3.2
153.12758	1.7
159.11728	11.8
161.13255	12.9
163.14839	13.8
164.41185	1.1
165.12851	1.8
171.11693	1.2
173.13277	13.6
175.14815	3.4
177.16452	3.7
179.14256	2.8
187.14799	7.7
190.29150	1.3
201.09085	2.3
201.16414	3.5
205.15997	1.5
215.18025	1.6
219.17618	1.3
231.10234	1.4
233.22697	4.0
243.21074	26.7
252.07822	1.7
261.22162	100.0
262.22510	1.3
279.23285	6.8
282.09067	1.6
285.25385	1.2
289.08728	1.4
305.11450	1.8
323.12854	1.9
335.12872	2.2
335.25745	16.6
353.13913	1.9
353.26901	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
67.05479	0.4
69.07073	0.6
71.05009	0.6
71.28515	0.8
71.28834	0.5
78.84367	0.4
79.05499	1.5
81.07064	0.5
91.05490	0.8
93.07079	0.7
96.88425	0.4
97.06531	3.1
105.07027	0.5
107.05011	0.8
107.08521	0.4
129.30309	0.4
133.10104	0.5
135.04439	8.6
136.05148	0.9
144.60262	0.5
149.02380	0.5
149.05980	0.5
151.07549	7.5
152.44330	0.5
157.06525	0.9
165.09074	1.1
172.08914	0.5
173.06010	1.3
183.08156	0.5
185.05978	1.0
186.06650	0.6
187.07533	0.7
188.08392	0.8
199.07623	0.8
201.09160	3.1
203.10666	0.8
209.05838	0.5
211.07545	1.0
215.10844	0.7
219.08109	0.6
227.07126	0.5
229.08615	0.8
231.10291	1.2
235.07524	0.8
239.07014	0.8
246.10536	0.7
247.07581	1.2
252.07814	1.6
253.04997	0.5
257.08139	1.3
261.09195	0.7
262.10043	0.8
267.06583	1.0
267.10049	0.7
268.07315	1.2
277.12024	0.5
282.08774	2.8
283.09668	1.8
289.08585	1.9
291.10077	0.5
295.09650	1.0
297.98691	0.4
303.10089	0.7
304.11081	1.7
305.08209	0.6
305.11319	0.8
307.13477	0.9
308.10571	0.6
309.11108	0.9
311.12851	2.4
320.10376	0.9
322.15549	0.7
323.12790	1.7
325.07236	0.6
325.14407	1.7
335.12854	2.5
335.21060	0.6
353.14221	5.2
353.23019	100.0
354.23355	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.7
57.03447	1.9
57.07076	1.7
67.05515	24.9
69.03438	1.5
69.07075	12.1
70.83913	2.7
70.84273	2.6
71.05000	43.1
71.08633	3.6
72.08138	1.8
76.05266	1.4
79.05499	6.8
81.03426	2.2
81.07066	100.0
83.01340	1.6
83.08622	3.2
84.04518	3.5
84.08142	4.3
85.02917	7.7
85.06548	34.7
86.09743	6.7
91.05501	2.1
93.07052	2.8
95.05011	1.8
95.08617	81.6
95.48248	1.3
97.02907	3.5
99.08100	12.6
105.03394	1.7
107.04982	2.1
109.10161	13.4
111.04437	2.3
114.12817	1.4
120.08137	2.5
127.03856	1.6
129.06999	1.5
129.10243	3.1
133.02950	1.8
135.04422	20.9
137.13269	17.2
145.04921	1.6
151.07579	9.0
155.14323	96.2
158.07356	1.6
159.09163	1.6
163.03926	3.2
163.08698	1.9
173.05986	3.6
173.15398	81.3
179.03447	2.0
188.08434	1.9
191.16452	25.2
201.09047	8.9
203.10747	2.6
215.08516	1.6
219.07889	5.0
231.08105	2.2
231.10245	5.0
233.09396	3.9
239.07079	3.4
246.10359	2.9
246.58752	1.5
247.07520	2.0
252.07898	5.3
253.04984	1.5
261.09198	3.8
267.06546	2.4
268.07303	3.0
277.08765	1.5
277.12320	2.3
282.08957	7.7
283.09695	8.1
289.08527	4.0
292.10815	2.3
295.09732	2.7
303.10226	3.7
304.10983	4.5
305.08383	2.4
305.11832	4.1
307.13089	3.3
308.10559	2.6
320.10437	1.8
323.12878	3.6
325.07117	3.3
335.12720	11.1
353.06668	3.6
353.13538	23.0
353.17273	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	353.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.4
57.03437	2.0
57.07072	7.2
67.05505	13.9
69.03423	6.2
69.07068	24.2
70.06587	5.9
70.78391	5.3
71.05006	4.8
79.05499	6.4
81.03418	2.5
81.07062	100.0
83.08618	4.9
85.02898	15.0
85.06083	2.7
85.06553	31.9
91.05489	4.2
93.07056	2.8
95.08613	47.1
97.02896	4.0
98.97586	3.0
99.08103	25.8
103.74079	1.9
105.03390	2.2
105.07045	3.4
109.02909	3.9
109.10195	3.3
111.11741	5.5
116.07053	4.7
119.08562	2.6
120.08148	3.0
127.03909	3.7
130.06555	3.3
131.08588	2.8
134.05983	1.9
137.13260	33.1
143.14288	5.5
145.04985	2.2
148.07594	2.0
149.09627	3.2
150.05513	4.7
152.07091	2.6
155.14316	91.8
160.07561	5.3
173.15382	72.2
177.05667	2.7
181.05048	3.0
191.07077	2.0
191.16435	27.6
260.35529	1.8
311.09512	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	353.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42088	1.2
55.05505	3.8
55.62178	1.1
57.03427	1.8
57.07082	7.4
59.57026	1.1
67.05510	11.5
69.03428	3.7
69.06730	1.9
69.07074	26.0
69.99074	1.3
70.07386	1.6
71.04980	2.0
71.08629	2.2
71.19086	2.4
79.05488	3.7
81.03419	1.6
81.07064	100.0
83.08617	5.6
85.02914	8.8
85.06557	30.7
93.07059	2.0
95.08615	47.4
96.63508	1.2
97.02870	1.8
97.10195	2.5
98.33273	1.3
99.08106	27.9
105.01890	2.9
109.10156	3.0
111.11710	5.7
125.13232	2.4
127.03916	2.1
128.04184	1.7
137.13274	33.6
143.14290	7.5
145.04987	2.0
152.07025	2.1
155.14326	76.4
173.15392	79.2
191.16443	22.9
201.43272	1.1
242.18828	1.4
259.91278	1.5
350.65619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1963
Annotation	Atlanticol
Peak:m/z	Relative Intensity
50.99127	0.9
52.70282	0.9
55.01879	2.1
55.05506	4.0
58.06597	0.8
67.05505	7.8
68.99823	1.4
69.03436	1.7
71.05018	1.8
71.26099	1.0
72.08163	2.5
79.05524	5.7
81.03442	1.0
81.07064	10.4
83.04998	1.1
83.08633	2.7
84.04507	2.1
85.02895	2.0
87.00844	1.0
91.05482	6.7
93.07051	8.1
95.04985	2.5
95.08633	5.1
97.06564	1.7
98.97608	1.1
100.11274	7.5
103.05467	1.6
105.03389	1.4
105.07050	4.5
107.05008	2.2
107.08627	3.9
109.02866	1.0
109.06522	2.8
109.10175	3.8
111.04465	2.0
115.05501	1.0
119.08628	4.5
121.06528	2.2
121.10150	4.2
123.11723	1.9
131.04956	1.5
131.08598	1.2
133.06496	1.1
133.10138	3.8
135.04472	8.2
135.11732	2.2
137.05997	7.1
137.09546	0.9
139.07582	1.0
139.12411	0.9
145.02864	1.0
145.10127	1.5
147.11748	2.2
149.05978	2.6
149.09608	1.9
151.03983	2.0
151.07545	3.2
153.05492	13.6
153.12773	4.7
154.12335	2.2
160.07541	1.1
161.09602	1.1
161.13278	1.1
165.05537	1.7
166.05585	1.0
167.07095	3.9
171.14977	1.6
172.08879	1.0
173.06013	1.8
175.07523	0.9
177.05528	3.9
181.04901	1.1
182.15482	3.4
185.05907	1.2
191.07057	2.6
192.07747	1.2
195.06551	100.0
199.07565	1.6
199.18149	2.2
201.09172	2.3
203.18015	3.3
210.14931	1.5
213.16420	1.2
231.10260	1.8
233.09668	1.3
248.08179	1.1
249.09267	1.2
250.06317	1.1
252.07910	1.6
261.09213	1.8
275.07016	1.2
277.08792	1.1
277.12119	1.1
282.08902	2.3
283.09555	1.6
289.08716	3.7
290.09491	1.1
291.09839	2.1
293.08243	1.7
293.11581	1.3
304.11044	2.3
305.11804	1.8
307.09763	1.2
309.21716	1.3
318.11368	1.1
321.07660	2.0
321.11243	3.4
323.12793	1.3
335.12845	3.4
335.18527	3.8
336.12314	5.6
344.14539	1.2
353.10013	3.1
353.13931	9.4
353.20059	1.8
353.26596	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84158	0.4
57.03386	0.9
58.06520	3.4
58.06842	1.1
60.68417	0.5
61.36582	0.5
62.16821	0.5
67.05450	1.1
67.65447	0.4
68.04976	0.9
69.03350	1.6
69.65648	3.2
70.06535	1.0
72.04452	1.0
79.05430	0.7
79.23296	0.4
80.03553	0.5
80.04953	0.8
81.03359	1.0
81.06984	1.1
84.08060	1.7
84.77410	0.5
85.02818	6.5
87.00736	0.6
91.05394	1.7
91.05898	0.5
93.06979	1.2
95.01262	0.5
95.04897	1.4
95.08549	0.6
96.04420	0.9
97.02834	0.5
98.02390	0.6
98.03099	0.4
98.20728	0.5
98.49818	0.6
103.05421	0.7
105.03344	0.6
105.07018	2.4
107.04898	1.2
107.08509	0.9
108.08060	1.1
109.02836	0.8
109.06457	0.9
109.08836	1.0
110.05942	1.4
111.04350	0.6
113.02361	2.9
114.05560	2.3
117.06932	0.8
118.06433	0.6
119.08573	2.4
120.08053	0.9
121.02789	0.6
121.06408	2.1
121.10066	0.7
124.07551	0.8
127.03867	0.6
128.06181	0.6
129.06963	0.9
130.04910	1.4
131.08484	0.8
132.05682	0.8
133.06418	1.0
133.10095	1.2
134.05934	2.2
135.04326	0.8
136.07507	1.2
137.05936	0.9
138.05492	2.5
140.07016	0.7
142.05038	3.6
143.08554	2.6
145.06419	0.7
146.08691	0.4
146.09656	5.0
147.04378	0.8
147.08061	2.6
147.10374	1.2
148.07523	0.6
149.09584	0.7
152.08716	0.5
156.06439	0.6
160.07565	1.3
160.11156	0.7
160.53990	0.5
161.09552	2.1
162.05556	3.1
162.09067	0.6
163.03873	1.0
164.06978	2.2
164.10689	0.8
177.05486	0.6
180.06508	1.4
180.10130	0.9
182.08147	12.7
184.06073	0.6
188.10603	0.8
189.09015	1.9
194.08148	1.1
202.08546	0.6
206.10161	0.7
206.11789	5.6
207.10072	1.4
208.06026	5.3
208.09645	1.1
222.07683	3.1
223.12131	0.6
224.12828	22.4
230.11644	0.7
236.09076	0.9
242.13817	0.5
244.13292	1.5
248.09250	0.7
250.10728	1.4
262.14355	3.2
266.10248	5.8
268.08087	1.5
272.12781	2.3
276.12170	0.8
278.10364	3.3
280.15561	1.2
290.13879	3.7
292.15451	1.1
294.09711	2.5
297.07764	0.9
308.15009	19.4
318.13382	3.3
325.07114	1.8
325.17609	12.2
335.16074	2.2
336.14441	100.0
337.14703	1.6
353.06943	2.5
353.17130	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10556	0.2
58.06592	0.3
61.02926	0.4
69.03422	1.1
69.91473	1.3
81.03407	0.5
85.02911	2.7
87.04465	0.3
97.02893	0.7
97.36353	0.3
98.21091	0.7
103.05459	0.8
105.07043	0.4
109.02895	0.4
115.05481	1.5
117.05756	0.8
120.08116	1.1
127.03944	0.5
130.06543	0.3
131.04903	0.9
132.08109	3.9
133.05234	0.8
133.06476	0.6
134.06010	1.4
142.06541	0.4
146.06021	0.7
148.07585	39.8
149.07964	0.3
160.07590	100.0
161.07925	1.0
190.08682	0.4
191.11807	11.0
202.08661	0.4
233.27687	0.3
242.57376	0.3
245.05057	0.3
310.12875	14.3
322.12869	20.2
323.13260	0.6
353.08676	3.6
353.17087	34.7
354.17578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.3
69.03424	0.8
70.28903	0.6
70.29290	0.5
73.02893	0.4
79.39849	0.3
81.03422	0.6
85.02915	2.6
96.77586	0.3
97.02917	1.1
105.44987	0.3
109.02926	0.4
110.76210	0.3
115.05486	1.8
117.05755	0.9
118.06511	0.3
120.08081	1.3
127.03946	0.5
130.06567	0.3
131.04918	0.5
132.08112	3.9
133.05247	0.7
133.06496	1.0
134.06013	1.3
137.93811	0.3
142.06544	0.7
145.04985	0.3
146.06027	0.5
148.07581	40.4
150.75290	0.3
159.06871	0.3
160.07587	100.0
161.07918	1.0
191.11815	11.1
202.08717	0.3
310.12842	13.5
322.12866	18.9
353.17081	29.6
354.17575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
53.83562	0.1
55.01850	0.1
55.37194	0.2
65.03945	2.8
70.97025	0.3
77.03950	0.4
79.05489	1.2
90.30386	0.1
91.05488	54.6
92.05833	0.4
94.17973	0.2
95.04976	0.6
95.08631	0.2
107.00509	1.0
108.01286	4.6
109.73472	0.1
112.72475	0.2
120.88115	0.1
127.60545	0.1
131.04926	0.3
132.05763	0.3
135.04395	0.2
138.99487	0.2
149.03891	0.2
152.06244	0.3
154.07788	0.2
155.08623	0.1
161.05977	0.2
163.13573	0.1
169.06531	0.3
177.05573	0.2
183.03596	9.6
184.04370	2.1
185.05164	5.6
190.42775	0.2
191.06848	0.2
192.07828	0.5
201.04681	0.8
202.05472	0.4
219.05724	0.4
261.08310	8.7
262.09033	4.6
266.08676	0.2
280.53409	0.2
293.07294	2.3
294.08060	11.9
295.08398	0.2
306.73434	0.2
321.07584	0.2
353.14542	100.0
354.14890	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	353.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06177	0.4
53.03951	0.6
55.01867	1.3
55.05497	0.6
57.03428	1.3
57.07074	1.0
57.85364	0.7
59.05000	1.6
61.02917	2.0
65.03938	0.7
67.05502	1.3
69.03146	0.6
69.03442	6.5
69.07057	2.3
70.06593	1.3
71.05006	2.6
71.52550	1.0
72.08138	0.5
73.02904	1.0
79.05486	1.7
81.03434	3.2
81.07062	1.8
85.02436	0.9
85.02912	11.8
85.10191	0.6
87.04465	1.8
89.03924	0.7
91.03951	0.7
91.05494	4.1
93.07033	1.4
93.63635	0.6
95.04967	1.5
95.08615	9.2
97.02900	6.1
97.10156	1.9
99.04467	1.6
99.08089	1.2
103.05477	1.2
105.03387	0.9
105.07045	4.4
107.04980	2.1
107.08601	0.9
109.02872	1.6
111.04451	0.6
111.11709	1.1
113.09655	9.8
115.05457	2.5
117.07017	3.7
119.04948	1.2
120.08149	0.6
121.02872	0.5
121.06496	1.9
123.04414	1.2
127.03934	2.1
128.06219	1.4
129.07010	2.5
130.07802	3.3
131.04945	1.0
131.08604	1.2
133.06508	0.8
134.03554	0.6
134.06020	0.7
135.04433	10.3
137.02339	2.8
137.05992	1.7
137.13266	2.5
139.13940	0.5
143.08545	0.8
144.05759	1.1
145.02821	0.7
145.04970	1.5
145.06477	4.4
145.10129	11.3
145.11275	0.6
147.04393	1.6
149.02307	0.7
149.05923	0.8
151.07561	2.6
151.75143	0.6
153.06987	3.5
154.07838	0.8
155.08571	86.0
155.14301	1.8
156.08900	1.3
157.06519	1.4
158.07281	24.6
161.02347	1.5
163.03923	6.8
163.14940	0.6
167.07036	0.7
173.09642	100.0
173.15373	8.1
174.10014	1.2
175.03935	1.4
175.07568	0.5
175.11140	1.1
177.05504	2.0
179.07054	0.9
181.04968	1.6
189.09103	0.6
191.03421	4.6
191.10692	67.5
191.14333	1.6
191.16417	3.3
192.06546	4.3
192.11082	0.7
199.03856	0.5
199.07564	0.8
201.09145	2.1
203.10690	0.9
209.06123	0.8
211.07533	0.6
217.04984	0.6
231.10210	1.0
249.07637	1.7
250.06213	0.6
251.07106	0.7
252.07841	1.6
253.04845	0.8
267.08890	0.8
268.07187	0.7
274.09924	0.8
277.12326	0.7
279.06461	1.5
282.05646	0.6
282.08838	2.2
283.06274	0.8
283.09644	2.5
289.08707	1.6
293.11801	0.7
295.06088	3.6
295.09503	0.8
296.06940	0.8
297.07587	8.8
303.10236	0.7
304.10956	1.5
305.11679	1.4
307.06003	0.9
309.22003	0.7
320.10559	0.9
323.12802	1.3
324.06335	2.9
325.07101	32.2
335.12589	2.5
353.06595	73.9
353.16092	13.3
353.19800	1.3
354.06967	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1386
Annotation	Daldinone D
Peak:m/z	Relative Intensity
51.02360	1.4
53.03949	2.1
55.01884	1.6
55.05507	1.3
65.03941	1.2
67.05503	2.7
67.41804	1.1
68.99791	2.0
69.07059	1.5
69.24084	5.3
69.24508	5.9
71.04993	3.1
74.09708	5.5
77.39336	1.2
79.05513	6.2
79.82732	1.1
80.05854	1.2
81.03424	1.7
91.05475	3.8
93.03392	2.8
93.07061	2.1
94.17630	1.3
95.04984	3.2
95.08605	2.4
98.97570	1.7
103.05495	1.5
105.03358	2.8
105.06999	1.4
107.01316	1.3
107.04932	3.9
107.08569	1.7
109.02871	2.8
111.04433	2.1
115.05482	4.9
117.07010	2.3
119.04893	1.7
119.08581	1.8
121.02844	1.8
121.10160	1.2
123.04434	2.3
128.06187	2.7
129.06999	9.6
131.04951	2.9
133.02847	2.2
133.10124	1.2
135.04422	100.0
136.05177	3.9
137.02353	15.4
137.05943	2.3
143.04930	2.9
145.06479	4.4
147.04396	5.3
149.02350	7.7
149.05977	5.2
149.09651	1.4
151.03915	37.0
151.07547	29.1
154.17131	1.1
155.04926	1.9
157.06514	13.0
157.72571	1.2
158.07274	5.3
160.07608	3.0
161.05974	3.7
163.03886	2.5
165.06976	1.4
165.09082	2.6
167.07034	2.8
167.20662	1.4
171.07970	1.3
172.08829	4.2
173.06001	19.4
175.03891	4.8
175.07614	2.0
177.05489	2.8
177.09062	2.4
179.07033	5.2
179.08450	2.3
181.06462	3.6
182.82301	1.1
185.05980	68.1
186.06757	8.9
187.07538	8.7
188.08328	9.9
189.05508	2.2
189.07013	2.7
189.09062	4.0
190.07750	2.9
191.07001	3.8
191.08594	3.9
193.08600	2.6
197.05988	1.5
199.07515	3.8
201.05464	3.2
201.09105	36.9
202.07788	1.6
203.08588	5.3
203.10681	14.8
204.09346	1.5
205.06477	2.3
207.08031	4.6
209.05988	3.5
211.07516	3.7
213.09174	3.1
215.06995	4.9
215.08760	1.9
217.10052	1.5
218.07286	3.0
219.08054	11.6
220.40469	1.2
222.06752	1.6
223.07578	2.0
225.05490	7.1
225.09164	3.6
231.08028	5.5
231.10172	21.2
233.09608	7.0
234.10448	2.5
235.07562	10.1
237.05458	4.1
237.08978	2.5
239.07010	10.1
245.09679	3.6
246.10330	6.1
247.07623	14.3
248.08356	2.1
249.05405	1.6
249.09026	5.6
250.06396	1.7
251.06992	3.0
252.07809	14.0
253.05029	5.4
253.08591	4.0
259.07556	5.1
260.08389	3.7
261.09064	9.3
262.06284	5.3
262.09933	5.6
263.06998	4.5
265.08597	6.7
265.12207	2.5
267.06540	7.1
268.07312	11.8
273.09100	2.6
274.06750	1.1
274.09906	5.3
275.06976	6.4
276.07797	2.9
277.08600	12.0
277.12247	9.2
278.05731	6.3
278.09100	2.9
279.06482	1.5
282.05307	6.2
282.08862	29.9
283.09653	27.5
287.07047	1.6
289.08609	20.4
290.05832	2.5
290.09305	5.1
291.10019	3.8
292.10941	5.1
293.08063	14.7
293.11627	5.0
295.06512	2.0
295.09680	9.1
303.10141	10.5
304.10916	21.1
305.08060	19.9
305.11710	16.0
306.08960	1.6
307.09744	2.8
308.06879	2.3
308.10349	11.1
309.11060	3.5
319.09464	1.8
320.06931	2.9
320.10449	8.5
321.07550	2.4
321.11142	2.5
323.09091	8.4
323.12784	18.1
325.10657	3.0
325.14206	3.1
335.09058	18.4
335.12778	43.9
353.10065	14.8
353.13843	33.4
353.22876	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1386
Annotation	Daldinone D
Peak:m/z	Relative Intensity
63.72715	1.1
69.60433	1.1
71.04950	5.0
72.48127	1.2
79.05515	6.7
81.07046	1.5
85.26697	1.4
91.05471	4.6
99.13484	1.2
103.05472	1.5
105.03378	2.5
107.04957	4.7
109.02912	1.5
115.05482	2.5
119.04964	2.4
121.06528	2.2
128.06248	2.3
129.06998	5.3
131.04921	3.4
135.04422	100.0
136.05199	5.2
140.74190	1.3
145.06505	2.6
147.04396	4.0
149.02283	1.9
149.05991	5.8
151.07549	31.8
153.07024	1.8
157.06551	6.8
158.07268	3.7
159.04396	1.4
159.08060	1.8
160.07581	2.2
161.06035	1.7
163.03998	1.5
163.07623	1.7
163.11186	1.3
165.05556	2.4
165.06996	1.8
165.09122	2.4
167.07076	7.3
169.06468	2.0
172.08810	5.6
173.05994	18.3
174.06787	2.4
175.03928	5.0
175.07530	1.7
177.05414	2.0
177.09126	1.8
179.07063	6.6
181.06503	2.9
185.06023	6.3
186.06795	2.6
187.07562	5.3
188.08342	11.9
189.09108	5.3
190.07764	1.8
190.09914	1.9
191.07001	5.0
192.07639	1.4
193.08540	3.5
194.07364	1.7
199.07544	2.9
201.09114	43.4
202.07707	2.9
203.08620	4.2
203.10689	14.0
207.08151	1.7
209.05948	7.8
211.07616	3.3
213.09146	5.2
215.06923	3.4
215.08595	3.4
218.07375	3.2
219.08003	7.0
225.05511	4.4
225.09070	4.7
230.07018	2.0
231.08058	5.3
231.10167	22.7
232.08871	1.5
233.09711	7.7
234.06696	1.8
234.10387	1.7
235.07523	3.7
237.05496	5.3
238.06184	2.0
239.07092	12.8
245.09709	4.1
246.06651	2.1
246.10452	5.9
247.07613	9.8
249.09131	3.9
251.07092	4.5
251.10757	1.8
252.07834	24.3
253.04924	6.0
253.08678	3.6
259.07550	3.5
260.08395	4.5
261.09113	10.2
262.09848	7.6
263.07098	4.8
265.08585	3.2
265.12314	4.3
267.06522	8.7
268.07294	15.3
273.09167	6.5
274.06436	2.1
274.09998	5.8
275.06964	3.7
275.10565	1.6
276.07852	2.0
277.08673	5.1
277.12244	11.2
278.09402	3.8
279.06509	3.0
280.07275	1.8
282.08887	31.5
283.09656	39.1
288.07901	2.3
289.08585	20.3
290.06305	2.2
290.09177	7.1
291.10031	3.7
292.11020	4.6
293.08151	3.7
293.11737	4.4
295.09695	11.6
303.10208	12.0
304.10925	30.3
305.08154	7.5
305.11719	22.0
308.10370	9.9
309.11096	2.5
319.09552	2.3
320.10455	12.9
321.11148	4.2
322.11960	1.4
323.12732	16.8
325.14374	3.2
334.63205	1.4
335.12778	46.4
353.13840	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	353.1386
Annotation	Daldinone D
Peak:m/z	Relative Intensity
51.02127	0.8
51.02380	1.2
51.46882	0.7
53.03941	0.9
65.03936	0.8
69.95541	1.9
69.95940	1.1
71.05000	3.9
77.03925	1.6
79.05490	4.6
91.05489	2.7
93.03414	0.9
95.04928	0.9
103.05460	1.0
105.03416	1.5
107.04965	2.5
108.05741	1.7
110.14716	0.6
115.05473	2.9
117.07004	1.5
119.04915	1.4
121.06519	1.0
123.04411	1.3
128.06224	2.2
129.07045	5.3
131.04993	1.8
133.02878	1.6
135.04430	100.0
136.05173	4.6
139.07553	1.3
139.37064	0.7
141.06958	1.0
143.04947	0.9
143.97777	0.8
145.06485	3.6
146.07274	1.1
147.04417	2.4
149.02376	2.3
149.05969	5.5
150.06685	1.2
151.03937	2.4
151.07547	37.2
153.06929	1.2
157.06494	9.6
158.07306	4.7
159.04442	2.0
159.08040	1.9
161.06009	1.4
163.03883	0.8
163.07497	1.1
165.05574	1.8
165.09123	2.2
169.06461	0.9
171.07973	1.3
172.05214	1.0
172.08853	6.2
173.06003	14.5
174.06747	2.1
175.03914	3.5
175.07565	2.8
177.05515	1.9
177.09113	1.5
179.07042	5.4
181.06497	3.0
183.08075	1.3
185.05962	7.4
186.06740	2.3
187.07565	6.2
188.08350	10.5
189.07043	1.1
189.09109	4.6
190.07806	1.2
190.09883	1.4
191.07021	1.9
191.08568	1.4
191.10605	0.8
193.08615	1.1
197.05988	1.5
199.07585	3.5
201.09114	37.9
202.07722	2.3
203.08597	4.0
203.10690	12.8
205.06703	0.9
205.08542	1.3
207.08066	1.3
209.06039	7.3
211.07538	4.2
213.09140	2.9
215.07028	3.0
215.08649	2.0
216.09480	0.8
217.06563	0.9
217.10132	0.9
218.07280	2.2
219.08061	7.8
221.06052	1.8
221.09679	1.0
222.06647	1.2
223.07491	1.7
224.04655	1.3
225.05473	5.2
225.09059	5.0
230.07285	1.8
231.08022	6.0
231.10185	23.3
232.08789	1.1
232.99655	0.7
233.09688	6.5
234.06639	1.0
234.10330	2.5
235.07567	4.5
237.05470	4.6
238.06320	1.9
239.07065	14.3
245.09668	4.1
246.06699	1.7
246.10353	7.0
247.07587	9.2
248.08331	1.1
249.09068	3.8
250.09935	1.7
250.96849	0.9
251.06985	4.2
251.10747	1.0
252.07826	21.3
252.11745	0.8
253.04997	6.5
253.08577	3.0
259.07669	3.8
260.08362	4.6
261.09137	11.1
262.07065	1.2
262.09866	7.7
263.07022	2.6
263.10733	1.1
265.08646	2.9
265.12241	4.4
267.06564	7.9
267.13779	0.7
268.07330	13.5
273.09097	6.2
274.06958	1.1
274.09885	6.5
275.06992	3.3
275.10349	1.3
276.07779	2.1
277.08627	7.2
277.12241	9.1
278.09445	2.2
279.06668	1.9
279.10043	1.4
280.07269	1.0
282.05682	1.2
282.08878	36.0
283.09668	38.8
288.07739	3.2
289.08621	18.7
290.06198	1.1
290.09308	5.0
291.06812	1.3
291.10086	3.6
292.11023	6.2
293.08099	4.0
293.11679	5.1
294.08954	0.8
295.09720	11.2
295.12906	1.3
303.07001	1.2
303.10220	12.6
304.07458	1.5
304.10959	28.5
305.08087	6.6
305.11703	19.3
306.08661	1.5
307.09616	1.6
308.10431	12.7
309.11160	3.6
319.09698	1.1
320.10477	10.7
322.12039	1.1
323.12775	18.9
325.14307	3.9
333.96646	0.8
335.12799	47.5
353.13831	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	353.1387
Annotation	Daldinone D
Peak:m/z	Relative Intensity
53.03956	1.8
55.01860	2.1
55.05511	2.1
62.56001	1.2
63.60571	1.2
65.03944	1.5
67.05519	10.7
69.07071	1.9
69.36391	9.2
70.06595	1.3
71.04987	4.3
77.03897	1.9
79.05493	9.6
81.03419	2.5
81.07059	8.9
82.93167	1.3
87.00861	1.5
89.47009	1.2
90.65279	1.2
91.05487	7.7
93.07038	4.0
94.96030	1.3
95.04977	3.0
95.08616	8.5
97.06512	4.0
98.20740	2.3
101.79460	1.2
105.07014	3.7
106.90038	1.1
107.04988	2.4
107.08609	4.3
109.02908	1.8
109.06502	1.5
109.10163	5.4
111.04410	2.4
115.05462	4.4
117.07008	1.2
118.82832	1.1
119.04959	1.9
119.08595	4.1
121.06500	2.1
121.10126	3.7
123.04427	2.2
128.06236	2.0
129.06993	6.3
131.04929	3.5
131.08597	3.2
131.35667	1.4
133.02815	2.6
133.06502	1.2
133.10150	3.8
135.04427	100.0
135.11696	1.9
136.05168	4.8
137.05968	4.8
139.03821	1.7
143.04858	1.5
143.08598	1.5
145.06531	2.7
145.10120	2.4
147.04477	2.8
147.11639	2.0
149.02347	4.7
149.06004	6.4
151.03928	5.6
151.07561	33.4
153.05495	4.4
153.06929	2.3
157.06503	9.1
158.07198	2.8
159.04428	1.9
161.05971	2.4
161.09656	1.5
163.03857	1.8
163.07518	2.4
165.05498	1.8
165.09125	2.7
167.03429	5.6
167.07025	3.0
171.08083	2.0
172.08800	5.5
173.05998	19.3
174.06746	1.5
175.03920	5.0
175.07520	2.7
177.05545	2.5
179.07034	6.1
181.06497	2.9
185.05988	10.7
186.06750	2.2
187.07509	5.9
187.27206	1.5
188.08360	12.1
189.05421	1.6
189.07422	1.2
189.09134	5.6
190.09715	1.9
191.07036	3.5
191.10631	1.7
193.04970	2.5
195.06474	1.3
197.05949	1.4
199.07559	5.0
201.09120	46.3
201.10991	2.6
202.07768	2.8
203.08603	4.7
203.10681	13.6
203.17928	4.0
207.08145	1.9
209.05965	7.3
211.07608	2.9
213.05424	2.1
213.09100	3.8
215.07021	3.5
215.08661	3.2
218.07242	2.0
219.08035	7.9
221.05943	2.4
221.09648	1.4
223.07664	1.7
225.05486	4.6
225.09140	4.0
231.08061	6.0
231.10143	23.8
231.17349	2.0
232.08733	2.4
233.09641	6.4
234.10309	2.2
235.07576	4.0
237.05487	3.8
239.07014	9.3
245.09624	2.2
246.06699	1.9
246.10493	7.2
247.07597	8.4
249.09140	4.4
250.06200	1.6
251.06975	2.7
251.10765	2.1
252.07832	24.5
253.04996	7.5
253.08585	3.3
259.07513	3.0
260.08307	4.5
261.09192	11.0
262.06232	1.9
262.09903	7.9
263.07098	3.7
265.08615	3.7
265.12155	3.5
267.06601	8.0
268.07312	19.2
272.07822	1.4
273.09097	4.6
274.06757	1.2
274.09885	6.8
275.07126	2.4
277.08618	5.4
277.12253	8.9
278.09348	2.8
279.06631	2.4
279.10184	2.1
280.07385	2.2
282.08905	27.5
283.09686	39.6
288.07834	2.3
289.08548	19.6
290.09387	4.3
291.06689	1.4
291.10129	2.3
292.10953	4.9
293.08112	5.5
293.11743	6.3
295.09714	9.7
295.12729	1.6
296.10477	2.0
303.10138	8.8
304.07510	1.6
304.10950	26.1
305.08115	6.9
305.11722	21.4
306.08722	2.6
307.09634	2.7
308.10428	9.6
309.11255	3.9
320.10498	14.6
321.11108	3.2
323.09326	1.7
323.12811	19.4
325.07083	2.0
325.10797	2.2
325.14325	5.9
335.08994	2.2
335.12778	47.5
353.10052	11.8
353.13889	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1022
Annotation	Salviandulin E
Peak:m/z	Relative Intensity
53.03941	2.1
55.01867	1.9
55.05516	1.6
57.07072	3.3
64.34431	0.9
65.03930	1.6
65.23435	0.9
67.05506	3.2
69.07075	1.5
69.47278	5.9
70.06595	2.4
71.05000	2.6
79.05500	4.7
81.07066	4.3
87.92749	1.0
91.05480	3.7
93.07039	2.6
95.05008	1.3
95.08624	3.2
103.05468	1.3
105.03367	1.2
105.07005	1.1
107.04977	2.5
107.08633	1.6
109.10180	2.6
115.05470	4.1
115.08714	6.9
116.05325	3.2
117.07031	2.5
119.04981	2.1
123.04463	1.1
123.11755	1.2
128.06155	1.2
129.07037	2.9
131.04918	1.6
133.02824	2.9
135.04425	100.0
136.05162	1.5
143.04942	2.3
145.06494	12.3
145.10080	1.2
147.04385	3.1
149.02373	4.0
149.05991	4.8
151.03906	22.2
151.07555	15.0
153.07031	1.1
155.04843	1.0
157.06519	4.2
158.07214	1.7
161.06024	2.4
162.86794	1.2
163.03889	2.9
165.05510	1.8
168.05667	1.7
169.06488	1.5
172.11548	3.2
173.05991	20.3
175.03874	3.9
175.07506	1.2
177.05461	2.6
179.03439	1.3
179.07162	1.9
179.08603	2.8
181.06514	1.9
183.04393	1.9
185.06021	7.1
187.07567	3.8
188.08389	5.2
189.05458	5.1
189.07010	1.9
189.09160	1.6
190.07904	1.2
191.07071	1.5
191.08614	5.7
191.10318	1.3
193.04947	1.6
193.06573	1.1
196.05223	2.9
197.06030	2.0
198.06810	1.1
199.07468	1.6
201.05475	30.3
201.09123	18.0
202.07768	1.7
203.06995	4.3
203.08609	2.6
203.10530	6.0
205.06564	1.8
207.08112	4.2
209.06009	4.7
211.07549	2.4
213.05536	3.3
213.09024	1.1
215.07040	1.6
215.61314	1.1
218.07187	1.6
219.08092	15.9
221.05991	2.2
221.09593	2.2
223.03888	2.4
223.07594	1.8
224.04684	5.5
225.05486	26.0
225.09058	1.6
226.06226	3.2
231.06471	13.5
231.10075	9.2
233.09595	1.5
234.06898	2.1
235.07585	8.1
237.05554	4.9
239.03407	1.6
239.07085	5.5
246.10364	1.2
247.07516	15.4
248.08662	1.0
249.09132	6.2
250.06284	1.3
251.07112	3.7
252.07869	8.7
253.05093	7.6
254.05743	3.1
259.07431	4.9
260.08383	1.7
261.09100	5.6
261.22189	1.8
262.06284	6.1
262.09933	1.9
263.07031	6.0
265.08658	6.7
265.11859	1.5
267.06583	4.1
268.07303	7.1
269.04462	5.6
273.09171	2.9
274.09912	2.5
275.07095	9.2
276.07721	1.3
277.08618	19.0
277.12228	3.7
277.15427	1.2
278.05975	1.1
278.09274	1.6
279.06839	2.0
279.10022	1.2
281.04498	6.2
282.05298	72.0
282.08804	13.7
283.06024	17.0
283.09665	15.5
287.07022	2.9
288.07825	1.6
289.08575	8.3
290.05728	3.0
290.09256	2.9
291.06836	1.3
291.10229	2.3
292.10980	2.4
293.08072	7.7
293.11484	2.5
295.06055	15.2
295.09686	7.0
303.10181	5.6
304.07401	1.9
304.10846	11.6
305.08102	34.6
305.11752	7.4
308.07013	2.2
308.10489	3.6
309.07758	1.8
309.11005	2.3
317.08249	1.4
319.05994	1.5
320.06775	6.1
320.10468	4.4
323.09143	12.5
323.12863	8.3
325.14377	1.7
335.09128	58.9
335.12869	17.8
335.29449	1.2
353.10168	25.5
353.13959	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	353.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38110	2.0
53.03939	3.9
55.01870	2.8
55.05508	8.9
57.03428	5.8
57.07079	3.6
65.03936	3.8
67.05510	32.3
68.99789	2.7
69.07076	10.2
69.16521	22.2
71.04998	4.7
71.08639	23.9
72.08166	2.2
72.73771	1.8
74.06083	13.0
75.06447	2.2
79.05497	25.3
81.07066	42.2
83.04958	2.1
83.08620	6.6
91.05471	12.5
92.07130	15.4
93.07048	21.7
95.04982	4.8
95.08620	31.1
97.06520	3.5
97.10179	2.9
99.08105	16.9
105.07032	8.8
107.08598	14.4
109.06584	2.8
109.10148	11.8
115.05459	3.7
117.07020	7.1
119.04935	2.1
119.08584	7.7
121.10164	11.3
123.11687	7.3
129.07008	5.0
131.04956	3.1
131.08586	5.9
133.02986	2.6
133.10146	6.1
135.04431	100.0
135.11719	8.5
137.13284	4.4
145.06491	13.8
145.10136	6.4
147.04387	3.7
147.11705	12.9
149.02312	2.5
149.06013	4.9
149.13261	8.8
151.03926	35.2
151.07553	12.7
152.78860	2.0
157.06480	4.0
159.11726	4.9
161.13252	3.6
163.03983	2.6
163.14824	7.4
165.05487	2.6
165.06886	2.7
165.12840	2.6
173.05986	25.9
173.13324	2.3
175.03871	3.1
175.07466	3.1
177.05522	2.3
178.07854	3.3
179.07121	3.1
179.08629	3.0
181.06441	3.1
185.06000	10.1
187.07588	4.8
187.14853	4.2
188.08344	7.2
188.48398	2.1
189.05518	4.8
189.07036	2.8
190.07860	2.1
191.08607	6.5
197.06107	3.3
201.05495	29.7
201.09160	13.7
203.07083	6.5
203.08723	4.2
203.10530	2.6
207.08044	5.5
209.06032	5.1
215.06999	2.9
218.07225	2.3
219.08105	22.2
221.09653	2.8
223.03859	4.3
224.04689	4.5
225.05458	26.4
225.09021	2.8
226.06248	2.6
231.06381	14.0
231.10191	8.4
235.07574	9.2
237.05475	4.3
238.06168	2.6
239.03439	2.8
239.07054	5.5
243.07953	2.2
243.21091	10.7
247.07594	23.3
249.09209	4.1
251.07062	3.2
252.07829	7.7
253.04967	9.5
259.07663	5.9
261.09119	5.4
261.22168	28.3
262.06241	7.6
262.09952	3.8
263.07050	6.4
264.07809	2.4
265.08652	8.3
267.06519	3.4
268.07394	4.6
269.04446	2.9
274.09937	3.2
275.07062	11.1
276.07822	3.7
277.08636	18.4
277.11902	4.1
279.23215	12.0
281.04440	4.3
282.05243	59.4
282.08844	13.5
283.06329	14.1
283.09149	12.6
289.08597	6.5
290.05676	2.2
291.10144	3.6
292.10880	2.7
293.08279	9.3
295.05972	12.9
295.09265	3.2
303.10257	3.1
304.10828	9.8
305.08084	34.0
305.11722	6.8
307.09750	2.9
308.10510	2.6
320.06784	4.8
320.10364	3.4
323.09097	14.0
323.12900	9.8
334.27356	2.2
335.09106	46.7
335.12848	19.3
335.25278	2.5
353.10184	22.3
353.13989	8.6
353.26822	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.102
Annotation	Picropolygamain
Peak:m/z	Relative Intensity
53.03941	1.4
55.01869	2.9
59.35296	0.8
65.03936	1.7
67.05492	3.1
68.99796	2.5
69.03434	0.9
69.26160	7.9
71.05003	1.2
79.01853	1.2
79.05500	2.0
81.03408	1.0
81.07077	1.3
85.02890	1.0
90.50431	0.8
90.78424	0.7
91.05482	0.9
93.03403	2.5
93.07024	1.1
95.04988	1.0
103.05470	2.1
105.03377	2.1
107.01327	1.3
109.02892	2.2
115.05473	2.5
117.07066	1.0
119.04965	1.5
121.02881	2.8
123.04456	2.0
128.06215	2.3
129.07024	9.8
131.04950	1.8
133.02885	2.8
135.04434	19.4
137.02341	21.0
139.05389	1.0
141.07016	1.0
143.04944	2.2
145.06494	1.8
147.04454	1.6
149.02368	1.7
149.05942	0.9
151.03917	60.6
155.04938	1.6
157.06491	6.7
159.04417	1.5
161.06006	1.2
163.03885	2.0
165.05508	1.1
165.06911	0.9
172.05194	1.7
173.06004	8.4
175.03966	3.0
175.05620	0.9
178.07753	2.0
179.08592	3.3
181.04893	2.2
185.05998	100.0
186.06749	12.9
187.07558	9.0
189.05539	2.5
189.07056	1.6
190.07770	1.4
191.07069	1.0
191.08601	4.2
195.08051	1.6
197.06050	3.5
198.06718	2.0
199.04015	1.2
201.05467	3.0
201.09100	1.2
203.08662	2.1
205.06544	2.1
205.14664	0.9
207.08095	4.2
209.05959	0.9
215.07063	8.3
218.07352	1.3
219.08118	12.8
221.05914	1.1
222.06737	2.6
223.07579	1.7
225.05530	4.2
229.06628	1.1
231.10359	0.9
234.06726	1.9
235.07533	14.8
237.09142	3.6
240.34300	0.8
247.07593	12.4
249.09055	3.6
250.06223	1.4
253.05048	2.6
259.07513	2.8
260.08310	1.0
262.06308	6.1
263.07059	5.8
265.08585	6.7
269.04584	1.3
275.06937	6.0
276.07822	1.0
277.05402	1.5
277.08603	15.5
278.05768	7.8
281.29041	1.0
282.05322	8.3
282.08401	1.7
283.05957	3.4
283.09064	1.4
287.07059	1.3
289.08350	1.3
290.05820	2.2
291.06607	1.1
292.07242	1.1
293.08102	17.0
295.06293	1.6
295.09650	1.5
303.06506	0.9
305.08075	21.8
306.05264	1.1
307.09515	1.4
308.06769	1.3
319.06189	1.3
320.06808	3.3
321.07623	1.0
321.11182	1.0
323.09195	13.4
323.12817	1.4
325.10855	1.6
335.09177	29.6
335.12753	1.5
353.10214	15.8
353.13959	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	353.1021
Annotation	Detetrahydroconidendrin
Peak:m/z	Relative Intensity
51.02375	1.2
53.00309	1.2
53.03932	1.3
55.01882	3.3
56.55497	0.9
65.03941	1.7
67.05510	3.2
68.99799	2.9
69.13483	0.9
70.10419	2.3
70.10816	2.0
74.09741	1.9
74.11222	1.0
79.01865	1.4
79.05489	1.4
81.03439	2.3
82.52554	0.9
83.80625	0.9
91.05482	2.1
93.03429	2.9
93.07018	1.2
94.67925	0.9
95.04990	1.7
103.05494	1.8
105.03383	2.3
107.01337	2.0
107.08621	1.1
109.02879	2.8
115.05480	2.6
117.07030	2.2
121.02876	3.0
123.04431	2.2
123.46905	1.0
128.06241	2.4
129.07002	12.6
131.04938	2.7
133.02896	4.7
135.04430	20.0
137.02350	28.2
139.05400	1.4
143.04948	1.9
145.06563	1.6
147.04396	1.6
149.06027	1.7
151.03918	62.8
155.04974	1.6
157.06548	7.6
159.04433	1.6
163.04012	2.3
165.07018	1.5
167.03345	1.5
167.07103	1.6
167.08624	1.3
172.05260	1.2
173.05984	8.9
175.03932	2.2
177.05608	1.4
177.07004	1.2
178.07735	1.0
179.07166	1.2
179.08556	5.1
185.05994	100.0
186.06770	18.3
187.07550	8.9
189.05537	2.2
189.07072	3.2
190.07817	1.2
191.07057	1.6
191.08618	6.9
192.07817	3.1
193.10260	1.2
197.05988	2.8
198.06824	2.1
201.05562	3.2
201.09117	1.6
203.08710	1.9
205.06595	2.7
206.07451	1.3
207.08063	4.8
209.05937	1.2
210.15271	1.1
211.07578	2.8
215.07013	6.6
217.06566	1.3
218.07384	1.4
219.08069	16.1
221.06108	1.6
221.09535	1.1
222.06824	2.9
223.07617	2.4
223.61884	1.3
225.05545	5.4
234.06778	2.0
235.07576	15.9
236.08038	1.1
237.09145	3.3
239.06859	1.6
246.06793	1.4
247.07558	19.5
249.09152	4.8
250.06287	2.2
251.07082	1.1
253.05013	3.3
259.07581	5.2
261.09213	1.6
262.06152	6.9
263.07092	8.7
265.08545	6.5
275.07053	6.4
276.07709	1.3
277.08612	17.5
278.05750	9.6
279.06464	1.5
282.05255	7.9
282.08444	1.9
283.06107	3.7
283.09564	1.6
287.07162	2.2
289.08630	1.7
290.05780	3.3
292.07346	1.4
293.08093	20.5
295.06161	1.7
295.09610	1.6
304.10858	1.6
305.08121	33.8
305.11270	1.4
307.05951	1.2
308.06793	1.4
309.07675	1.0
320.06793	4.6
320.10309	1.2
321.07544	1.4
321.11111	1.4
323.09201	15.5
323.12863	1.8
325.10419	1.2
335.09149	43.0
335.12582	2.1
353.10251	15.9
353.13986	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	353.1023
Annotation	Salviandulin E
Peak:m/z	Relative Intensity
51.49018	0.9
53.03946	1.7
55.01872	1.2
55.05507	1.2
65.03916	1.1
67.05495	3.8
68.99812	1.9
71.04989	3.6
71.23199	1.7
73.98537	1.0
79.05502	6.0
81.07040	2.5
88.91080	1.0
91.05498	3.6
95.04975	1.1
95.08594	2.5
103.05470	1.1
105.03393	2.6
105.04523	1.1
107.04954	2.1
109.10181	1.5
115.05463	3.9
117.07017	2.7
119.04969	1.0
119.08549	1.2
123.04437	2.1
128.06187	1.4
129.07010	3.9
131.04941	4.4
131.08533	1.1
133.02881	2.6
135.04425	100.0
136.05220	1.2
139.05415	1.3
143.04932	2.3
144.05698	1.3
145.06511	16.8
147.04424	2.6
149.02324	2.4
149.05984	4.7
151.03918	28.0
151.07541	8.2
153.06944	1.9
157.06488	5.3
159.04408	2.0
161.05956	1.6
163.03896	2.8
165.05466	4.1
165.06914	2.6
167.08633	1.3
168.05705	2.1
171.04454	1.7
172.08812	2.1
173.05989	18.3
175.03882	3.8
175.07579	1.5
177.05489	2.9
179.07060	1.4
179.08521	2.6
181.06514	2.2
183.04442	1.4
185.05978	7.5
187.07512	3.3
188.04677	1.1
188.08347	3.1
189.05511	6.2
189.07010	1.7
190.07761	2.5
191.08626	8.0
193.04962	1.6
196.05185	2.1
197.06009	3.7
201.05489	35.7
201.09122	9.6
202.07893	2.4
203.07045	5.8
203.08661	2.7
203.10706	3.8
204.05733	1.5
205.04845	1.5
205.06531	3.0
206.07098	1.2
207.08090	4.7
209.06004	3.5
213.05457	2.4
215.06993	1.9
217.75883	1.1
218.07266	2.3
219.08069	21.4
221.06073	1.3
223.03952	2.7
223.07538	2.0
224.04704	5.8
225.05481	35.7
226.06181	3.2
227.07057	1.7
231.06422	14.1
231.10030	5.6
233.09625	2.1
234.06804	2.4
235.07571	10.0
237.05466	3.6
237.09070	2.4
239.03510	2.9
239.07101	4.2
246.10477	1.8
247.07547	21.2
248.08369	1.2
249.09183	8.4
251.07083	3.7
252.04262	1.4
252.07866	4.9
253.04984	10.2
254.05727	5.1
259.07523	4.8
261.09079	4.6
262.06326	5.1
262.09906	2.0
263.07126	6.9
265.08609	9.3
267.06525	2.3
268.07312	4.2
269.04404	3.9
273.09106	2.2
274.09756	1.2
275.07077	11.0
277.08627	24.8
277.12106	3.0
279.06479	2.0
281.04529	6.3
282.05283	80.8
282.08743	8.5
283.06006	19.8
283.09647	9.2
287.07230	2.7
289.08395	5.6
290.05725	3.6
290.09061	1.4
292.10727	1.4
293.08014	7.0
295.06039	17.4
295.09631	4.1
303.10156	2.9
304.10889	5.8
305.08170	39.3
305.11761	4.2
306.05368	1.4
307.06140	1.6
307.09598	1.5
308.10352	2.2
309.07797	1.8
317.08212	1.6
319.05966	2.6
320.06738	4.8
320.10477	4.2
323.09137	11.3
323.12888	4.4
325.10843	1.9
335.09128	55.2
335.12875	11.7
335.29251	1.7
353.10168	24.0
353.13953	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	353.1021
Annotation	Salviandulin E
Peak:m/z	Relative Intensity
53.00313	0.8
53.03954	1.1
55.01867	2.8
55.05497	0.9
59.04996	0.6
61.20032	0.6
65.03938	2.7
67.05515	3.1
68.99789	2.2
69.07072	8.7
71.04978	2.8
71.52491	0.9
73.06557	0.8
77.03902	1.1
79.05493	3.2
81.03409	0.8
81.07056	2.8
84.18311	0.7
87.63885	0.6
91.05470	2.2
93.03393	2.1
93.07045	1.8
95.04958	1.8
95.08620	1.0
95.66948	0.7
97.06538	10.0
103.05475	1.4
105.03385	1.8
105.07027	2.1
107.01299	1.6
107.04933	1.3
107.08582	1.9
107.50126	0.6
109.02840	1.5
109.10163	2.2
115.05467	2.8
117.07037	1.3
119.04928	1.7
121.02859	1.9
121.06509	1.1
123.04430	1.9
123.11707	1.9
127.05439	0.8
128.06229	2.7
129.07014	9.4
131.04910	1.7
131.08542	0.6
133.02850	2.5
133.10117	1.0
135.04427	33.9
137.02354	19.2
137.03421	0.9
139.03931	0.9
139.05461	0.8
143.04913	2.6
145.06493	2.5
147.04410	1.5
149.02362	3.4
149.06026	1.0
151.03914	55.6
151.07553	5.4
151.11177	1.6
155.04895	2.1
157.06499	7.1
158.07230	0.9
159.04402	1.5
161.02444	0.7
162.88904	0.6
163.03908	2.0
165.05536	1.3
165.07019	1.7
167.04893	0.8
167.08513	0.6
169.06485	0.7
172.05254	0.7
172.08885	0.7
173.06012	8.9
175.03885	2.8
177.05447	1.2
178.07834	1.6
179.07201	0.7
179.08580	3.2
181.10060	0.8
183.08087	0.6
185.05991	100.0
186.06778	14.0
187.07539	9.2
188.04752	0.7
188.08286	1.2
189.05440	2.5
189.07065	1.9
190.07756	1.6
191.08574	3.7
195.08038	1.0
197.06023	1.8
198.06795	1.2
199.03886	0.8
199.07562	1.0
201.05455	2.5
201.07416	1.1
201.09056	5.3
202.07838	0.9
203.06938	0.7
203.08716	1.1
203.10704	2.5
205.06528	1.8
206.07361	1.0
207.08084	3.9
209.06024	2.1
211.07639	1.0
213.09276	0.6
215.06996	5.5
218.07225	1.2
219.08090	11.5
220.09695	1.5
221.06064	0.7
222.06807	1.7
223.07538	1.7
225.05460	4.9
225.09030	1.2
231.08073	1.7
231.10222	1.9
234.06709	1.4
235.07576	12.9
237.05449	1.3
237.09125	2.2
239.06947	2.1
247.07584	12.6
248.08090	0.8
249.05467	0.8
249.09137	3.8
251.07118	1.3
252.07816	3.3
253.04970	3.1
254.05705	0.7
259.07611	3.6
260.08337	0.9
261.09143	1.0
262.06235	5.6
262.09964	0.7
263.07111	6.4
265.08600	5.7
267.06552	1.8
268.07404	2.2
275.07019	5.9
276.07803	1.1
277.08630	15.3
277.11679	1.2
278.05774	7.0
279.06616	1.2
282.05243	11.1
282.08847	5.8
283.05991	2.9
283.09711	5.2
287.07300	1.0
288.07736	0.9
289.08624	2.8
290.05765	2.2
290.09030	0.8
291.06595	0.9
292.07242	1.6
293.08096	17.0
295.06055	1.7
295.09677	2.5
303.10059	0.9
304.10806	4.2
305.08136	23.4
305.11597	2.1
307.09460	1.5
307.12555	1.3
308.06934	0.8
308.10416	1.3
311.09378	0.9
317.08112	1.5
317.36682	0.7
320.06805	3.7
320.10263	1.2
322.14865	1.5
323.09183	13.1
323.12708	2.1
325.06979	0.9
325.14130	1.6
335.09137	29.7
335.12860	5.7
353.06366	0.8
353.10175	10.9
353.13864	3.8
353.17139	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0846
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
52.46983	1.9
56.96564	4.5
67.55129	2.0
69.58357	13.1
84.08129	2.1
85.91896	1.8
98.97625	2.2
100.99143	2.3
109.70682	1.8
110.97577	3.5
127.02412	3.4
128.98599	3.6
145.03493	4.4
157.03468	3.4
158.49254	2.4
172.97667	3.5
173.03038	4.6
190.98674	9.5
191.04091	3.2
208.99719	3.5
232.99806	11.3
233.05052	10.1
245.05139	2.9
251.00764	5.2
263.00665	4.1
272.06464	3.3
353.08481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1019
Annotation	Savinin
Peak:m/z	Relative Intensity
51.02377	0.7
53.03945	0.9
55.01871	0.4
56.69035	0.3
65.03934	0.6
67.05491	1.0
68.99800	0.3
69.03492	0.4
71.05002	0.5
71.27585	0.4
73.79793	0.4
77.03925	1.0
79.05499	3.0
81.03392	0.3
81.07049	0.7
88.58966	0.3
91.05476	0.6
93.07058	1.1
95.04977	1.0
95.08601	0.6
102.45532	0.3
103.05457	0.4
105.03395	1.3
105.04502	0.4
105.07041	0.7
107.04924	0.6
108.59904	0.3
115.05488	2.1
117.07018	1.2
129.07024	0.7
131.04909	0.5
135.04425	100.0
143.04930	2.3
145.06485	1.9
147.04434	0.5
149.01160	0.7
149.02357	13.4
149.03372	0.6
149.05943	0.7
151.03912	3.6
151.07555	2.1
157.06520	0.8
159.04431	0.4
161.05978	0.5
163.03963	0.5
165.05507	0.4
173.05971	4.3
175.03943	0.8
175.07582	0.3
179.08583	0.8
181.06512	0.5
181.08606	0.3
185.05980	1.1
187.07616	0.6
189.05489	0.6
189.07068	0.5
191.08594	0.6
197.06059	0.5
201.03749	0.6
201.05484	6.1
201.07254	0.5
201.09151	1.8
202.07806	0.5
203.07034	3.3
203.08615	0.6
203.10596	0.4
204.24019	0.3
207.08118	0.9
209.28006	0.3
213.05457	0.6
218.07251	0.5
219.08087	3.1
223.03899	0.6
224.04703	0.8
225.05482	3.8
225.96289	0.3
226.06250	0.4
231.06366	1.8
231.10199	1.0
235.07570	1.4
237.05516	0.7
237.09291	0.6
239.07048	0.8
241.04620	0.4
243.21124	0.4
246.06549	0.3
246.10555	0.3
247.07593	3.4
249.05492	0.4
249.09097	1.5
251.07089	0.9
252.07903	0.8
253.04980	1.1
254.05592	0.6
255.09593	0.8
259.07584	1.2
261.09058	0.8
261.22195	0.8
262.06302	1.2
263.06970	1.1
265.08640	1.4
267.06686	0.4
268.07318	0.7
275.06964	1.8
277.08636	2.9
281.04675	0.6
281.07861	0.4
282.02084	0.5
282.05292	10.3
282.08771	1.2
283.05975	3.0
283.09625	2.0
287.07156	0.4
289.08713	0.9
290.05881	0.6
290.09360	0.3
293.08093	1.0
295.06036	1.7
295.09579	0.9
303.10120	0.5
304.10934	1.2
305.08176	5.4
305.11716	0.9
307.09491	0.5
308.10568	0.8
317.08072	0.6
320.07004	0.6
320.10446	0.8
323.09171	11.1
323.12662	1.0
325.14188	0.5
335.09119	7.6
335.12845	1.5
353.10193	24.9
353.13901	2.0
354.10666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01866	6.3
57.03429	6.0
61.02937	4.0
68.99798	3.2
69.03433	32.8
69.07073	86.1
70.57290	2.2
70.57650	4.0
71.04983	3.3
73.02924	4.7
79.05489	2.2
81.03425	21.4
83.95715	2.1
85.02910	100.0
86.09703	3.3
87.00832	45.5
93.07028	4.8
94.57792	2.5
97.02902	50.7
99.04451	12.7
105.01874	87.1
105.02585	4.1
108.04496	2.8
109.02876	25.1
111.08070	8.0
115.03976	2.3
127.03928	89.2
129.01830	2.5
135.08092	2.7
141.91869	2.2
145.04977	68.4
147.07999	3.1
153.09126	4.2
159.02896	14.8
163.73441	2.1
177.09132	2.3
189.03963	4.4
195.10179	8.4
213.03954	3.8
231.05005	25.3
249.06104	14.8
263.58478	2.5
268.10104	2.2
299.11163	2.2
325.06979	4.3
336.14517	3.5
353.06424	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	352.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14624	0.6
55.05527	4.0
56.05037	3.8
57.03444	1.1
67.05510	11.7
69.07073	3.5
71.52615	0.7
71.53036	0.7
72.08173	0.7
74.06087	85.2
75.65732	0.6
79.05499	7.8
81.07065	11.1
83.49693	0.8
84.04471	0.6
88.04004	1.5
91.05506	4.0
91.16187	0.6
92.07124	100.0
93.07040	8.5
95.08612	7.3
97.60088	0.7
105.07057	2.4
107.08596	4.1
109.06461	1.0
109.10207	3.1
116.85235	0.7
117.07040	1.3
119.08577	1.6
121.10162	3.3
123.11713	1.2
128.07091	3.4
131.08556	1.0
133.10147	0.7
135.04401	1.2
135.11673	1.8
141.20128	0.6
145.10155	0.9
149.13258	0.9
161.05923	0.9
163.14769	0.9
193.24886	0.6
227.49707	0.7
228.57913	0.7
261.22055	1.2
334.27420	37.9
335.25632	2.3
352.28546	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	353.0788
Annotation	Griseofulvin
Peak:m/z	Relative Intensity
53.03956	2.2
65.03937	3.7
68.99821	1.2
69.03435	93.9
70.94318	2.1
74.09711	3.1
77.03929	1.4
78.23066	0.8
79.05509	4.5
81.07052	1.6
91.05487	52.3
94.04122	1.0
95.04958	2.4
99.04472	1.4
103.05467	0.9
105.03426	2.0
105.04515	1.2
107.00472	1.5
107.04953	2.9
108.01302	4.0
109.06494	1.6
122.03656	6.1
129.01085	1.0
131.04991	1.1
135.04413	6.7
135.08104	1.0
149.02333	2.7
150.03142	3.6
151.07585	1.9
165.05481	95.7
168.04271	1.0
169.97726	1.1
171.97920	1.2
171.99202	5.0
181.08771	1.0
183.03589	7.3
183.06560	1.5
184.04408	2.0
185.05133	4.5
188.99506	1.1
194.42303	0.9
197.03711	1.2
199.98764	5.6
201.09087	1.7
215.01065	86.2
217.99774	8.0
224.02365	5.7
231.10283	1.0
253.02661	1.5
257.05899	1.1
261.08313	8.6
262.09103	3.7
265.06076	1.4
270.02921	5.5
277.02728	2.0
278.03360	1.7
279.04288	1.4
282.08783	1.9
283.09552	1.5
285.05252	48.8
293.06659	1.2
294.08026	11.7
306.02829	2.1
311.06705	3.2
321.05072	5.5
323.08371	1.0
335.12857	2.1
353.07864	63.2
353.14545	100.0
354.07953	1.4
354.14786	2.0
377.72513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.05511	6.6
57.93732	2.5
58.06598	4.5
67.05506	17.6
69.07071	5.6
70.06590	4.5
71.52957	4.7
72.08158	21.3
79.05502	82.8
80.05818	4.7
81.07062	21.7
86.09677	5.4
91.04969	4.2
91.05489	33.7
93.07053	22.4
95.04980	11.6
95.08609	5.7
97.06523	3.2
105.07025	36.5
107.04984	9.1
107.08603	58.2
108.08932	7.4
109.06528	4.7
114.09160	8.5
119.08608	15.7
121.10149	4.5
129.07028	4.1
131.08578	6.1
133.06509	6.6
133.10152	14.3
139.09901	8.6
145.10194	3.8
147.08098	4.6
147.11707	40.8
149.13208	6.6
153.11491	5.2
157.10149	3.9
175.11211	15.5
204.13870	5.3
246.18564	100.0
260.20129	50.8
306.20734	22.4
320.10629	3.3
321.11377	3.1
333.22519	12.2
351.04666	4.7
351.12390	12.0
351.33780	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	351.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01854	3.2
55.05521	23.7
56.06222	3.5
57.07089	4.2
65.03961	4.4
67.05508	39.2
67.85178	3.4
69.03423	7.1
69.07080	55.1
69.25494	34.3
71.04995	12.1
77.03900	3.4
79.05505	29.8
81.07060	55.0
83.08635	8.9
91.05482	51.7
93.07052	85.1
95.04972	23.1
95.08064	5.4
95.08622	63.1
97.06536	13.8
103.05465	4.5
105.07039	90.1
107.08609	64.6
109.06535	13.2
109.10175	47.7
111.08080	6.3
115.05428	3.9
117.07021	18.3
119.08591	100.0
120.09306	3.8
121.06525	8.3
121.10149	49.7
123.08031	5.5
123.11715	13.0
128.06241	8.9
129.06990	8.5
130.07776	8.4
131.08597	45.8
133.10159	44.8
135.08052	13.2
135.11697	14.9
137.09691	5.8
137.13335	7.5
141.06970	7.1
142.07791	10.6
143.08575	31.1
144.09309	8.1
145.10159	59.4
146.07268	9.0
147.08113	4.6
147.11703	23.9
147.71339	4.4
149.09654	11.0
149.13300	5.6
155.08534	7.4
156.09367	11.2
157.10123	39.9
159.11723	30.3
161.09634	56.4
161.13268	15.9
163.14928	3.7
169.10114	10.0
170.10872	7.3
171.11707	31.2
173.13300	16.5
175.11168	11.5
175.14816	16.3
177.16400	20.1
179.08633	5.6
183.11665	8.7
185.13316	19.3
187.14816	8.8
189.16379	6.3
195.11713	7.1
197.13255	11.9
199.14842	11.1
201.16464	5.4
203.17972	7.1
209.13274	16.4
211.14903	11.8
213.16402	6.4
223.43367	3.7
227.14209	4.6
238.88686	3.6
241.19464	7.9
255.21098	6.8
259.20563	6.1
333.25693	4.1
351.27100	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.3
57.23758	1.7
60.71068	1.2
67.05504	4.4
67.22569	1.3
67.51318	1.2
68.02647	10.0
69.79095	6.8
72.08141	5.3
79.05499	29.0
79.05960	1.7
81.03450	1.4
81.07038	5.0
90.09194	3.2
91.05466	11.0
93.07045	5.6
95.04981	3.4
97.05293	6.3
98.20715	1.5
99.45055	1.4
105.07027	12.1
107.04939	1.5
107.08604	16.0
114.09174	4.4
119.08584	3.4
126.09122	1.3
129.06978	1.8
132.10184	2.1
133.10133	5.4
139.09933	71.8
147.08073	1.4
147.11714	9.8
149.13342	1.4
149.49776	1.6
152.10771	1.6
175.11189	2.6
212.16917	1.4
246.18556	100.0
259.20593	2.1
264.19583	10.0
306.20667	25.6
351.12488	1.5
351.25241	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	351.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.5
62.56303	2.8
63.57251	2.8
67.05501	7.7
69.26311	28.6
72.08164	36.7
79.05501	61.3
81.07066	14.5
91.05490	16.0
93.07052	6.7
95.04972	6.9
95.08619	5.8
105.07021	15.8
107.08609	58.6
109.10132	4.0
114.09182	36.2
119.08588	4.7
121.06505	3.4
121.10166	3.2
124.07652	3.3
131.08597	5.4
133.10167	10.8
139.09938	13.0
147.11707	10.1
149.13269	4.5
161.51044	3.1
175.11194	6.8
193.06082	3.2
195.12224	3.2
246.18567	100.0
333.22330	4.9
351.04791	7.3
351.12244	3.4
351.25549	5.9
365.50665	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	5.7
55.05506	17.4
55.26331	5.7
57.03434	13.0
67.05181	6.5
67.05510	73.7
69.07056	19.1
69.21493	6.0
71.08636	27.3
71.52969	7.4
78.68797	6.2
79.05494	65.7
81.03439	7.4
81.07063	64.5
83.04966	7.4
83.08626	12.5
85.06534	5.6
91.05496	49.1
93.07047	77.7
95.04982	13.4
95.08620	37.0
97.10134	9.0
99.08115	26.5
105.07038	63.0
107.08595	45.9
109.10151	15.8
117.07024	12.2
119.08615	51.6
121.10138	38.2
123.08054	7.9
123.11657	7.6
129.06996	7.2
131.08577	19.8
133.10143	43.3
135.11707	37.8
143.08530	9.2
145.10139	17.2
147.11696	47.4
149.13248	21.1
151.11160	14.3
157.10143	11.9
159.11693	22.0
161.13283	44.1
163.11258	8.8
171.11748	13.4
173.13268	11.5
175.14819	20.7
179.14322	11.0
185.13223	15.8
199.14700	8.6
231.21182	10.1
233.93340	5.4
241.19556	37.9
259.20609	89.2
261.09033	7.6
262.10074	5.3
275.10602	9.1
277.21680	29.2
289.59125	6.4
305.11664	11.5
319.13217	6.4
320.14081	20.9
321.11270	6.0
323.08780	6.0
333.24237	5.8
351.16037	30.2
351.21216	9.6
351.25330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82610	1.9
53.03941	4.7
55.05517	17.5
55.40171	1.8
57.03432	8.5
57.07074	3.7
57.36623	1.9
58.29456	2.0
59.93213	1.9
60.05659	4.0
60.08173	11.0
65.03941	3.2
67.05514	45.9
69.07083	18.3
70.03008	5.9
71.04989	4.8
79.05501	74.0
81.06585	3.6
81.07064	54.1
83.04984	2.0
83.08613	8.0
85.06554	5.7
87.28294	1.9
91.05489	52.3
93.07056	100.0
95.04948	5.6
95.08055	3.6
95.08619	42.7
97.06544	2.7
97.10181	3.3
99.08102	4.9
105.07038	55.8
107.08605	66.0
109.10166	20.7
117.07034	13.3
117.54043	1.7
119.08595	54.8
121.10158	41.3
123.11727	4.4
129.07030	8.2
131.08580	19.6
133.10155	51.2
135.08141	2.0
135.11710	51.2
137.27397	2.2
141.49240	2.0
143.08585	7.8
145.10136	21.2
147.11700	47.7
149.09665	3.3
149.13289	25.3
157.10114	9.4
159.11710	18.3
161.13269	36.1
163.11247	3.2
163.14853	8.7
171.11732	12.7
173.13281	12.8
175.14816	16.1
177.12825	3.0
185.13286	12.2
187.14865	4.4
189.12703	2.7
199.14864	8.2
201.16466	2.0
203.14296	2.9
213.16393	4.6
215.18044	2.6
217.19606	2.7
231.17546	3.4
231.21162	7.8
241.19531	34.9
241.21790	3.4
259.20615	92.3
277.21707	16.0
333.24240	8.9
351.04849	2.5
351.25357	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01868	0.8
55.05516	5.1
57.03448	2.6
57.07062	1.2
57.16474	0.4
65.03949	0.8
67.05511	13.2
69.03429	0.6
69.07076	4.6
70.93218	1.1
71.05000	1.2
71.08645	2.6
73.02911	0.4
75.04477	2.3
79.05500	16.5
81.03413	1.2
81.07060	15.9
83.04984	1.3
83.08617	2.7
85.06545	1.2
91.05484	12.8
93.07051	22.5
95.04976	2.6
95.08611	10.4
97.06536	1.5
97.10159	0.8
99.04450	0.4
99.08116	2.2
105.07031	13.4
107.04939	1.1
107.08603	13.7
107.95493	0.4
109.06487	0.6
109.10170	3.9
111.08082	0.8
113.09680	0.6
117.07018	3.1
119.08583	12.1
121.06516	0.8
121.10146	9.0
123.08109	0.5
123.11710	1.1
125.09628	1.1
129.05507	0.7
129.07040	2.4
131.08571	3.4
133.10146	9.7
135.08034	1.1
135.11707	10.3
137.09624	1.1
143.08595	2.4
145.10153	4.6
147.11697	10.5
149.09657	0.6
149.13269	6.8
151.11160	1.6
157.10170	2.5
159.11696	4.6
161.09576	0.7
161.13272	7.6
163.07564	0.4
163.11214	1.2
163.14835	1.8
165.12805	0.4
171.11671	3.7
173.13281	2.5
175.07686	0.5
175.11186	0.6
175.14862	4.3
177.12758	1.1
179.14378	3.3
185.13243	3.3
187.14841	0.4
189.11227	0.7
189.12750	1.0
189.16376	0.4
195.06549	1.0
199.14867	2.0
203.08633	0.5
205.10101	0.5
207.08061	0.7
210.22176	0.5
213.09149	0.9
213.16455	1.3
215.08565	1.6
215.10738	1.9
215.17957	0.5
217.10280	0.9
217.19585	1.8
218.07315	0.8
219.08084	1.4
231.08052	1.9
231.17354	0.6
231.21100	1.8
232.08838	1.6
233.09659	3.5
234.10396	1.6
235.07515	1.3
241.19519	9.1
243.08144	1.0
244.08836	1.4
245.09637	7.4
246.10477	4.2
247.07683	2.9
247.11160	1.4
248.08398	1.0
249.09186	1.6
249.12697	0.4
250.09921	0.9
251.10725	0.6
257.09604	1.9
258.10413	1.4
259.07596	1.0
259.11169	2.5
259.20605	20.0
260.08426	1.4
260.12125	0.6
260.20911	0.7
261.09122	9.6
262.09879	8.4
262.12402	0.7
263.07065	0.9
263.10617	1.2
264.07864	1.0
265.12296	1.2
272.08310	0.8
273.09171	5.3
274.09937	4.6
275.07553	0.7
275.10651	9.5
276.08243	0.7
276.11441	4.1
277.08673	2.6
277.12238	9.5
277.21649	8.2
278.09439	3.4
279.10031	2.3
283.09573	0.7
287.10599	2.6
288.11472	4.5
289.08682	5.4
289.12241	20.2
290.09460	5.9
290.12677	0.6
291.06882	0.8
291.10239	1.7
292.07761	0.5
292.10895	2.0
293.08456	0.5
293.11664	5.8
298.12009	0.8
303.10187	2.2
304.10950	5.1
305.11731	37.3
306.08826	2.3
306.12256	1.1
307.09607	1.0
307.13168	1.1
318.12485	0.8
319.13309	30.6
320.14075	50.1
321.11255	11.7
321.14706	1.5
322.11945	3.4
323.09332	0.6
323.12741	2.1
333.24396	2.0
335.12823	3.9
336.13568	10.3
351.15936	100.0
351.25223	23.2
352.16220	2.7
352.25778	0.5
355.13690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01872	3.4
55.05516	16.2
57.03441	14.1
57.07065	3.6
67.05513	49.1
69.03412	1.5
69.07074	17.4
70.16275	5.3
71.04988	2.1
71.08246	2.6
71.08639	50.2
79.05501	41.2
81.03428	7.9
81.06590	2.5
81.07064	46.9
83.04988	11.8
83.08618	8.1
85.06541	3.7
91.04919	1.9
91.05481	28.4
92.13261	1.2
93.07053	56.1
95.04971	10.5
95.08617	37.3
97.06551	10.3
97.10172	4.3
99.08103	36.4
105.07043	19.8
107.04980	7.5
107.08604	31.8
109.06507	3.0
109.10177	17.1
111.08067	3.0
113.09693	1.4
117.07015	5.6
119.08595	16.4
121.06578	1.4
121.10156	23.3
123.11708	3.2
129.07022	3.0
131.08588	4.8
133.10152	12.3
135.11702	37.6
137.09590	4.0
141.09108	3.4
143.08521	2.1
145.10159	5.2
147.11696	9.2
149.13263	12.3
151.11215	19.7
153.12784	1.6
157.10155	1.5
159.11703	5.1
161.13275	13.5
163.11192	6.2
163.14856	1.8
167.10704	2.9
171.11710	2.8
173.13243	1.5
175.14795	2.7
177.12822	3.6
179.14336	100.0
185.13335	4.0
189.12735	3.8
195.13835	3.8
199.14912	2.1
213.16386	1.3
221.15388	4.0
231.17532	1.6
235.16980	5.7
241.19540	3.2
259.20566	10.2
277.21658	44.7
351.25314	60.3
352.25009	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	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.05517	19.2
57.03450	20.3
57.07066	5.8
67.05513	63.6
69.06728	1.7
69.07072	18.3
70.08527	4.0
70.08921	2.9
71.05009	2.6
71.08642	50.9
72.08168	1.8
78.51933	1.4
78.85426	1.5
79.05502	52.1
81.03410	4.5
81.07066	54.0
83.04991	11.7
83.08632	11.6
85.06554	5.1
91.05489	34.4
93.07054	66.1
95.04996	12.0
95.08613	37.5
97.06551	10.2
97.10163	4.0
99.08102	37.4
99.08739	2.1
102.96951	1.5
105.07047	27.1
107.04965	7.9
107.07890	1.9
107.08611	36.2
109.06503	5.3
109.10168	21.2
111.08040	3.6
113.09644	2.8
114.09177	1.7
117.07014	6.2
119.08591	27.2
121.10157	31.1
123.08099	3.3
123.11703	3.5
129.07024	4.6
131.08574	7.1
133.10138	20.8
135.08090	1.9
135.11707	39.6
137.09618	3.6
139.11259	2.3
141.09064	2.6
143.08572	4.4
145.10178	7.5
147.11658	11.5
149.13289	13.0
151.11229	19.2
153.12761	3.0
159.11696	8.4
161.13251	16.0
163.11203	6.8
163.14822	2.2
165.12769	1.6
167.10609	2.5
171.11743	4.5
173.13257	4.3
175.14900	4.0
177.12704	4.8
179.14334	100.0
185.13280	3.6
187.14832	1.9
189.11230	2.0
189.12750	2.5
231.21111	1.9
235.17004	4.7
241.19556	4.9
259.20612	19.0
277.21658	49.9
288.94830	1.6
333.24289	3.6
351.25333	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2144
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
67.05515	1.7
68.02429	1.1
69.07097	1.2
72.08167	4.2
79.05498	1.9
81.03422	1.5
81.07046	1.8
82.21860	0.8
91.05484	2.2
93.07035	2.1
105.07021	1.8
107.08589	1.2
119.08587	1.2
133.10211	1.6
215.11151	1.1
270.41748	0.9
319.09808	1.9
351.12421	2.9
351.21436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.0
55.05523	17.7
57.03430	9.2
57.07051	2.7
66.54340	2.1
67.05515	38.1
69.07079	16.4
71.14339	3.0
71.14677	3.4
76.12286	2.1
77.03899	1.9
79.05498	68.0
81.07064	51.0
83.04980	2.1
83.08617	9.6
85.06556	2.9
88.33205	2.4
91.05486	53.2
93.07054	85.0
93.07645	4.5
95.04960	2.9
95.08618	35.4
97.06524	5.3
99.08105	6.4
105.07040	52.4
107.08599	53.6
109.06528	5.1
109.10166	15.6
112.64430	2.0
113.07120	2.3
117.07043	9.0
119.08591	58.8
121.10151	44.2
121.10942	3.9
123.08125	2.3
123.11697	2.1
129.07005	11.0
131.08586	21.1
133.10143	45.3
135.11703	46.7
135.40536	2.1
137.09630	3.5
143.08582	10.6
145.10138	17.5
147.11705	37.4
149.09653	3.6
149.13269	27.7
157.10139	8.1
159.11665	13.4
161.13264	31.7
163.11247	2.2
163.14851	8.0
171.11649	10.8
173.13272	10.7
175.14893	14.9
185.11845	2.2
185.13287	11.4
187.14871	4.0
189.12764	3.0
199.14867	7.0
203.14232	3.1
213.16437	4.1
231.21156	9.8
241.19540	35.8
255.17949	2.3
259.20602	100.0
277.21631	16.1
283.62527	2.3
333.24164	8.4
351.25342	79.2
352.25677	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	351.2014
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.05495	4.1
58.06576	6.1
61.02913	3.8
67.05495	3.4
69.03408	5.6
69.07062	5.7
69.33462	25.3
70.06579	10.4
71.04981	11.4
71.73849	2.9
73.06519	4.3
79.05472	8.8
81.07041	19.0
84.51205	3.3
85.02908	16.1
85.06544	100.0
86.85452	3.4
91.05451	3.5
93.07026	12.5
97.06519	7.4
98.20763	6.5
107.08571	8.3
109.10115	4.6
110.07159	5.3
119.17265	3.4
119.90841	3.5
123.11720	4.4
135.11725	15.2
145.02814	9.6
145.04965	3.6
153.12746	53.6
171.13789	21.0
175.11984	3.6
177.05490	16.0
189.14883	36.0
215.11800	4.6
235.11836	4.6
315.13208	4.0
344.03754	3.4
351.15768	23.2
351.20132	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	351.2144
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05499	1.9
64.83179	1.1
67.05511	5.3
69.07066	2.6
69.71345	1.0
70.06580	1.6
71.08605	1.2
71.43819	1.0
74.17284	1.1
79.05491	4.2
81.07051	4.2
91.05478	4.1
93.07048	6.6
95.04971	1.1
95.08598	3.8
97.06542	1.0
105.07060	5.6
107.08607	4.9
109.10159	2.3
119.08595	4.5
119.64693	1.0
121.10175	3.1
129.07060	1.3
131.08546	1.4
133.10123	3.9
135.11673	3.6
137.05948	1.3
138.81317	1.2
145.10115	2.9
147.11688	2.6
149.02338	2.0
149.13260	1.8
161.13181	1.5
165.05443	2.3
171.11752	1.9
173.13228	1.1
175.14970	1.4
189.09155	1.2
191.07120	1.2
241.19603	1.9
257.50607	1.1
259.20612	5.9
266.97229	1.0
270.01700	1.0
274.79654	1.0
277.21750	1.9
319.09265	1.1
333.11301	1.3
351.08542	2.0
351.12488	7.3
351.21426	100.0
351.25171	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	351.2016
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.34909	2.5
55.05523	4.2
57.03432	3.4
57.07077	2.6
58.06601	9.4
59.05001	2.7
61.11377	2.6
64.41658	2.9
67.05503	7.5
69.03445	11.7
69.07065	14.5
69.38663	20.5
70.06602	12.8
71.04996	16.8
71.36103	2.5
72.08141	5.2
79.05482	6.4
81.03406	3.8
81.07071	26.1
82.21414	2.5
83.05009	3.6
83.08601	2.9
84.08144	5.8
85.02917	15.8
85.06551	100.0
86.09678	4.3
91.05499	6.7
93.07047	24.0
95.08620	11.5
97.02931	2.8
97.06548	32.8
103.07626	3.6
107.04984	2.7
107.08582	20.8
109.02908	4.2
109.06563	2.8
109.10199	13.5
110.79793	2.6
115.05481	3.2
117.03367	5.6
119.08598	3.0
120.08122	3.7
121.06556	4.6
123.11713	13.4
127.03930	3.6
127.11213	7.6
128.07112	4.4
129.07455	4.8
129.10257	3.0
130.08659	3.1
133.06409	3.5
135.11711	28.3
136.06157	2.3
141.12750	26.9
143.11833	2.9
145.02843	11.6
145.06473	3.3
147.04460	3.2
149.05943	3.4
153.12769	57.4
157.06529	5.9
158.07269	5.3
160.07610	10.3
161.08012	3.1
163.03911	2.8
167.10667	11.6
169.12262	2.6
170.15366	4.1
171.13812	59.9
171.15388	4.8
175.11888	2.6
177.05476	17.7
188.07118	2.9
188.16504	10.0
189.14890	41.9
189.16800	13.9
190.81461	2.7
191.07056	3.3
201.09116	2.6
203.06891	2.5
211.07535	4.7
229.08563	13.9
247.09668	15.0
351.10831	3.9
351.15475	9.1
351.20016	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	351.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75066	0.3
58.06605	100.0
66.21546	0.3
70.06590	0.4
71.04987	0.7
71.18222	0.6
85.02920	0.9
94.95645	0.3
97.02835	0.3
97.27137	0.3
98.97588	0.6
109.02904	0.4
115.05447	0.5
117.05744	0.3
132.08109	1.7
134.06053	0.9
135.04405	0.5
144.08107	0.9
145.02849	0.5
160.07590	33.6
163.03941	1.5
177.05516	0.8
205.13394	1.4
306.13391	8.2
351.19189	20.5
352.20044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	3.0
53.64472	2.4
55.05519	8.9
57.07082	5.0
58.06591	6.2
59.05000	3.1
61.02929	3.4
67.05495	5.9
69.03426	5.6
69.07066	20.9
70.06593	11.9
70.75889	4.2
70.76238	5.1
71.04993	27.6
72.08145	5.5
73.06572	5.9
79.05489	8.6
81.03436	5.7
81.07069	31.4
83.04985	3.4
83.08636	6.4
84.08134	6.1
85.02901	21.1
85.06548	35.7
86.09709	9.6
91.05468	6.5
93.07055	26.6
95.08610	10.3
96.97701	2.9
97.02889	8.8
97.06554	41.6
107.08601	24.3
109.10169	19.6
119.04974	3.9
119.08620	3.5
123.04452	2.8
123.11697	15.1
127.03943	5.3
127.11198	13.5
129.10237	4.8
131.05035	2.6
131.29132	2.8
133.10133	3.1
135.11705	44.1
141.12755	39.9
145.02876	11.2
145.05002	3.6
149.05959	3.4
151.11349	2.4
153.12759	95.0
158.81505	3.0
160.07605	4.8
163.03954	3.4
166.34007	2.5
167.10696	3.1
170.15408	8.5
171.13824	100.0
171.15742	10.9
177.05461	15.8
188.16507	18.5
189.14893	67.1
189.16818	24.1
229.08568	3.0
333.75836	3.1
351.10983	2.9
351.16171	9.1
351.22015	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	351.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
56.32787	0.4
56.88556	0.4
58.06608	2.2
60.05659	6.0
62.71104	0.4
67.05486	0.7
68.05045	0.4
69.03417	0.5
69.91839	0.8
69.92239	1.2
70.06598	15.2
71.04990	0.4
72.08169	3.5
79.05505	0.4
81.07058	1.2
83.04965	0.5
84.08157	1.7
85.02905	0.9
89.03933	3.8
91.05479	0.9
93.07033	0.7
95.20802	0.4
97.07669	1.0
99.72305	0.4
105.07011	0.5
109.10143	0.9
109.49432	0.4
110.07180	4.1
112.08750	2.8
114.10303	2.5
116.07127	4.0
117.03390	18.4
120.08053	0.4
127.03892	0.4
128.07188	0.5
130.08936	0.5
130.09789	2.4
131.12976	0.4
134.03612	0.7
135.04420	1.0
145.02861	62.9
145.24139	0.4
146.03242	0.5
149.06006	6.7
150.78989	0.4
153.12772	0.5
157.10890	1.5
158.09276	5.3
163.03943	0.7
166.06190	0.5
175.11923	20.9
177.05487	100.0
178.05696	0.9
201.10059	0.8
235.11894	2.9
291.13519	0.9
292.11896	1.0
333.15533	2.2
333.19333	1.5
334.13959	3.0
351.10693	3.5
351.16641	83.5
351.20261	6.4
352.17026	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1593
Annotation	3',5-Dihydroxy-2-(4-hydroxybenzyl)-3-methoxybibenzyl
Peak:m/z	Relative Intensity
55.05488	0.2
57.03394	0.1
67.05490	0.3
75.04486	2.0
79.05470	0.4
81.07042	0.2
85.06561	0.3
85.56410	0.1
86.85765	0.1
87.98643	0.1
91.05448	0.4
93.07026	0.5
95.08604	0.2
103.05416	0.3
105.07012	0.4
107.04955	0.2
107.08558	0.3
115.05447	0.2
119.08594	0.3
121.06480	0.2
131.04912	0.6
132.05275	0.2
133.10132	0.1
135.11667	0.1
136.05191	0.2
137.05965	0.2
145.06429	0.2
147.11676	0.2
151.07521	0.4
157.06488	0.3
159.11780	0.1
160.05206	0.3
161.05997	0.3
163.07570	0.8
164.07968	0.3
165.09070	0.3
169.06441	0.2
171.07985	0.3
172.65381	0.1
174.17130	0.1
175.07538	0.6
182.07187	0.2
184.08846	0.1
185.09634	0.2
189.09105	0.2
198.06670	0.3
200.08293	0.3
201.09100	0.3
202.07806	0.8
202.09445	0.2
203.08499	0.7
203.10489	0.3
204.09265	0.2
205.10077	0.6
207.08086	0.4
208.08719	0.2
213.09100	1.2
215.08560	1.5
215.10663	2.1
216.09439	0.7
217.10168	0.7
218.07253	1.1
219.08029	1.2
220.08949	0.3
221.05959	0.2
221.09555	0.4
222.10315	0.2
224.08307	0.5
225.09122	0.2
226.07744	0.3
227.08475	0.5
228.09341	0.3
229.00291	0.2
229.06444	0.2
229.10153	0.4
230.07288	0.4
231.08054	2.9
232.08839	1.7
233.09607	3.4
234.06644	0.3
234.10425	1.5
235.07483	1.1
235.11226	0.3
236.08305	0.2
237.09135	0.2
238.09782	0.1
239.10535	0.2
240.07761	0.3
242.07344	0.2
243.08015	1.2
244.08867	1.8
245.09616	8.1
246.06700	0.4
246.10400	4.3
247.07587	2.4
247.11179	1.5
248.08351	0.9
249.09123	1.4
249.12682	0.5
250.09979	0.8
251.10637	0.4
255.06818	0.1
255.07748	0.1
255.09981	0.6
256.08636	0.2
257.09653	2.4
258.06863	0.3
258.10400	2.4
259.07538	1.5
259.11166	3.2
259.20651	0.2
260.08279	1.2
260.11841	0.5
261.09109	8.8
262.09891	9.1
263.07080	1.3
263.10339	0.8
264.07834	0.9
265.08801	0.6
265.12213	1.5
272.08304	0.9
273.09109	5.0
274.06766	0.2
274.09885	4.6
275.07138	1.3
275.10645	9.9
276.07870	0.8
276.11426	3.9
277.08655	2.3
277.12216	9.9
278.09384	2.8
278.12439	0.3
279.10153	2.8
281.08218	0.2
283.09622	0.6
287.07428	0.2
287.10635	3.2
287.13849	0.2
288.08124	0.3
288.11441	4.0
289.08618	5.4
289.12201	19.4
290.09406	5.8
290.12787	0.7
291.06558	0.6
291.10159	1.8
291.13632	0.5
292.07626	0.2
292.10898	2.0
292.14142	0.3
293.08139	0.5
293.11670	5.8
295.09601	0.5
298.12042	1.0
303.10150	3.3
303.13351	0.2
304.07440	0.3
304.10953	5.6
305.11716	37.6
306.08807	2.5
306.12265	1.4
307.09595	1.7
307.13318	0.9
308.10461	0.7
308.13724	0.2
309.11136	0.3
317.11560	0.4
318.12427	0.6
319.13290	30.6
320.14063	51.9
321.11218	14.3
321.14612	1.4
322.11942	3.3
323.12775	1.8
334.11990	0.2
335.12796	4.8
336.13556	11.9
337.13785	0.2
349.14468	0.2
351.15900	100.0
352.16312	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1592
Annotation	3',5-Dihydroxy-2-(4-hydroxybenzyl)-3-methoxybibenzyl
Peak:m/z	Relative Intensity
50.24810	0.2
55.01859	0.3
55.05487	0.9
56.15013	0.2
57.03431	0.5
57.07053	0.3
57.26623	0.2
67.05509	3.2
69.07049	0.8
69.90321	0.2
71.04990	0.2
71.08646	0.2
71.51760	0.2
71.52144	0.3
75.04478	2.2
79.05076	0.3
79.05496	3.0
81.03417	0.3
81.07067	2.9
83.04967	0.2
83.08597	0.6
91.05487	2.7
92.86746	0.2
93.07053	4.9
95.04950	0.4
95.08620	1.9
97.06506	0.4
97.10150	0.2
99.08092	0.4
100.26170	0.2
105.07040	2.7
107.04969	0.3
107.08603	2.8
109.06488	0.2
109.10155	1.0
117.06984	0.8
119.08587	2.0
121.10163	1.7
123.11688	0.2
129.06970	0.5
131.08534	0.8
133.10158	2.1
135.11697	2.1
143.08516	0.5
145.10126	1.1
147.11690	2.0
149.13254	1.5
149.87260	0.2
151.07507	0.6
151.11136	0.6
157.10144	0.5
159.11673	0.9
161.05959	0.3
161.13240	1.6
163.07504	0.3
163.14842	0.3
165.12692	0.3
171.08078	0.5
171.11690	0.7
173.13283	0.6
175.07509	0.4
175.14870	1.2
179.14383	0.3
182.07272	0.2
183.08070	0.3
185.13216	0.6
189.07079	0.3
189.08969	0.2
199.14879	0.5
200.08356	0.4
201.09113	0.3
202.07758	0.6
203.08659	0.4
205.06537	0.3
205.10146	0.3
209.09666	0.3
213.09082	0.9
213.16301	0.4
215.08556	1.1
215.10681	1.6
216.09300	0.5
217.10143	0.7
217.19588	0.3
218.07323	0.8
219.08081	1.3
219.09915	0.2
220.08797	0.3
224.08337	0.3
227.08456	0.6
227.10614	0.3
228.09399	0.4
229.06572	0.3
229.10236	0.5
230.07323	0.7
231.08067	2.0
231.21121	0.4
232.08876	1.2
233.09566	3.2
234.10315	1.1
235.07553	1.0
235.11247	0.3
236.08211	0.5
237.09163	0.3
241.19519	1.5
242.07376	0.3
243.08055	0.9
244.08936	1.2
245.09633	7.2
246.06668	0.5
246.10416	3.8
247.07603	2.7
247.11172	1.5
248.08316	0.9
249.09023	1.7
249.12851	0.4
250.09879	0.7
251.10629	0.3
253.08427	0.2
255.10257	0.7
257.09659	2.0
258.06808	0.4
258.10425	2.3
259.07507	1.0
259.11237	2.5
259.20584	4.6
260.08340	1.3
260.11914	0.6
261.09122	8.3
262.09903	9.2
263.07086	1.2
263.10440	1.1
264.07822	0.8
265.08813	0.5
265.12244	1.6
272.08337	0.9
273.09134	4.0
274.06781	0.3
274.09930	3.6
275.07169	1.3
275.10654	9.2
276.08224	0.4
276.11426	4.1
277.08670	2.9
277.12253	9.8
277.21609	1.1
278.09366	2.8
278.12238	0.4
279.10184	2.4
283.09692	0.7
286.31586	0.2
287.10703	3.1
288.08325	0.3
288.11462	3.9
289.08652	5.1
289.12247	18.9
290.09430	5.9
290.12814	1.0
291.06635	0.6
291.10178	2.1
291.13699	0.4
292.07632	0.4
292.10846	1.8
293.08231	0.6
293.11661	4.9
295.09875	0.2
298.12064	0.6
303.10202	2.9
304.10931	5.0
304.14206	0.3
305.11731	38.0
306.08856	2.3
306.12311	1.1
307.09613	1.7
307.13321	0.8
308.10501	0.6
317.11365	0.3
318.12518	0.7
319.13303	28.2
320.14081	50.0
321.11234	14.1
321.14606	1.4
322.11993	3.0
323.12772	1.7
333.24280	0.4
335.12802	4.3
336.13553	10.7
337.14017	0.4
349.14474	0.3
351.15924	100.0
351.24835	4.8
352.16211	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	350.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.05499	3.8
67.05499	3.7
69.07063	4.2
70.06580	3.7
70.90339	1.3
71.52554	1.8
72.08153	1.5
79.05486	7.9
81.07059	9.5
83.05008	1.4
83.08630	1.6
84.67818	1.1
85.06528	5.0
91.05487	15.1
93.06492	2.1
93.07050	32.5
94.07379	1.6
95.04963	1.5
95.08595	4.0
103.05476	34.1
105.07021	7.6
107.08598	24.0
108.08939	1.5
109.06589	1.7
109.10155	2.5
117.07066	1.6
119.04930	1.7
119.08573	3.7
121.10176	1.5
131.04936	100.0
133.10158	3.5
135.10843	1.7
135.11710	19.2
137.05983	7.5
145.10155	2.1
147.11714	2.6
151.07549	2.6
163.07550	40.3
171.11909	1.3
181.08591	5.3
189.09029	1.4
193.08630	1.6
209.09668	1.4
241.12227	3.4
259.20532	3.0
276.20233	2.6
279.95132	1.1
337.36642	1.2
339.58478	1.3
340.26321	1.1
340.31027	1.4
345.33661	1.2
350.19928	2.6
350.24115	5.2
351.25287	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1229
Annotation	XR 774
Peak:m/z	Relative Intensity
55.01868	1.0
58.12602	0.3
68.99798	1.5
69.03425	0.3
69.22141	2.4
69.34863	0.2
71.01352	0.2
75.04478	0.4
79.05483	0.3
81.03412	0.3
91.05463	0.7
92.70222	0.2
93.07049	0.4
95.04924	0.3
100.33313	0.2
103.05447	0.3
105.03400	0.8
105.07030	0.7
107.04953	0.6
109.02831	0.4
115.05470	0.4
117.07016	0.4
128.06223	0.8
129.07039	0.5
130.07838	0.4
131.04982	0.6
131.08615	0.3
133.02856	3.2
133.10204	0.3
135.04422	2.6
136.05209	0.8
137.02327	0.7
137.05946	0.3
141.07001	0.6
143.08591	0.3
144.05701	0.6
145.06523	1.5
146.07257	0.5
147.04401	0.4
149.02338	0.5
151.03926	1.5
151.07547	6.5
153.06973	0.5
155.04915	0.4
156.05682	0.3
157.06499	2.3
158.07272	3.0
159.04370	0.4
160.05205	0.5
161.06033	0.4
161.09631	0.4
163.03958	1.7
165.05496	0.8
165.06888	0.5
167.08472	0.3
169.06516	0.7
171.04547	0.3
171.08063	0.7
173.06085	0.3
173.09602	0.5
174.06776	2.7
174.38268	0.3
175.03926	3.5
175.07532	1.0
177.05437	0.3
177.06927	0.4
178.07758	0.6
179.07104	0.4
179.08601	1.0
181.06485	0.6
181.10133	0.4
182.07294	0.4
183.04482	0.3
183.08072	1.1
185.05994	0.7
186.06825	1.3
186.09126	0.6
189.05420	0.5
189.07114	1.2
189.09116	10.4
190.07776	1.1
191.08604	1.9
192.05696	0.3
193.06551	0.5
193.10126	0.4
194.07280	0.6
194.91771	0.2
195.08022	1.3
197.05974	0.9
198.06770	0.6
199.07512	2.1
201.09114	13.8
202.07806	1.0
202.09506	0.3
203.08582	2.0
204.09334	0.7
205.06577	0.8
205.10262	0.6
206.07286	0.8
207.08067	3.5
208.08838	1.4
209.06068	0.3
209.09651	1.0
212.08333	0.5
213.05530	0.5
213.09070	1.7
214.09868	3.2
215.06792	0.4
215.08556	1.0
215.10416	0.4
217.06450	0.8
218.07298	2.9
219.08054	6.6
220.08871	1.1
221.05960	0.9
221.09674	2.9
222.06731	0.4
222.10394	1.6
223.07552	1.4
223.11145	0.5
224.08325	0.4
225.02505	0.4
225.05411	0.9
225.09108	0.6
229.06580	0.4
229.08653	0.3
230.07301	0.6
231.08049	4.4
232.08867	2.0
233.05948	0.7
233.09633	3.4
234.06792	1.8
234.10364	2.3
235.07552	8.1
235.11118	0.4
236.08308	1.0
237.09088	0.8
238.09941	2.5
239.10756	0.4
243.08096	0.6
245.06046	1.1
245.09612	1.1
246.06837	2.5
247.07564	11.6
248.08258	2.1
249.05374	0.6
249.09128	5.5
250.06168	0.5
250.07561	0.3
250.09885	2.7
251.06946	0.4
251.10698	2.4
252.11389	0.5
253.12259	1.9
254.05806	1.0
255.06566	0.7
257.06024	0.3
258.06836	1.2
259.07547	2.4
260.08362	2.7
261.05353	0.4
261.06055	0.5
261.09149	7.3
262.06314	1.2
262.09912	11.8
263.07050	11.7
263.10538	1.2
264.07803	1.2
264.11353	0.3
265.08786	1.9
265.12146	2.2
271.07330	0.3
272.08490	0.5
273.05618	0.6
273.09100	1.0
274.06305	1.4
275.07074	7.4
275.10648	2.6
276.07867	3.2
276.11002	0.5
277.08609	8.7
277.11697	0.5
278.05930	1.2
278.09360	8.5
279.06647	0.7
279.10120	2.4
280.11084	0.4
283.06061	1.5
287.07083	0.8
288.07813	2.6
289.05310	0.5
289.08600	7.9
290.05945	1.3
290.09363	18.4
291.06531	6.4
291.10132	4.1
292.07300	1.1
292.10934	2.2
293.08130	4.3
293.11737	15.8
293.15143	0.4
293.59174	0.2
297.07504	0.5
298.08350	6.6
302.09525	0.8
303.06625	0.7
303.10168	2.0
304.07419	1.6
304.10580	0.4
305.08127	13.2
305.11670	0.9
306.05322	1.2
306.08841	10.6
306.12460	0.3
307.06168	0.6
307.09610	1.6
308.10455	1.4
309.08109	0.3
309.11359	0.4
317.08084	0.3
318.08859	0.6
319.09656	7.2
320.10437	17.7
321.07593	9.2
321.11243	31.0
322.08224	0.8
322.11639	0.4
323.09250	0.5
323.12830	1.9
333.11200	1.6
334.11807	0.4
335.09244	2.4
336.09946	10.5
351.12286	100.0
352.12711	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2329
Annotation	Acetyllycoclavine
Peak:m/z	Relative Intensity
53.03948	1.6
55.01849	1.2
55.05515	8.0
58.06603	11.0
60.04536	4.7
63.74125	1.0
64.57288	1.0
67.05511	10.8
68.05042	14.6
69.03452	1.3
69.07079	8.3
69.85329	4.0
70.06585	3.0
71.05002	12.0
75.04791	1.0
79.05503	8.6
81.03432	3.7
81.07070	10.2
82.06600	6.6
83.04970	3.3
83.08632	1.2
84.08155	10.7
85.06541	1.4
86.09712	3.4
91.05501	8.3
93.07062	8.6
95.04988	3.1
95.08613	6.6
96.08144	100.0
97.06534	3.7
97.08926	6.0
97.27437	1.0
98.09710	3.1
100.07633	1.9
105.07014	4.8
107.04972	3.3
107.08614	4.8
109.06522	2.8
109.10158	3.3
110.06046	1.1
112.07619	43.0
117.07043	3.6
118.06633	1.0
119.08580	4.2
121.06480	1.2
121.10169	2.4
123.08019	2.0
124.07614	7.5
125.09619	1.3
128.10689	4.8
129.06992	1.3
131.08563	5.4
132.08060	1.3
133.10162	4.7
135.08076	4.2
135.11731	1.6
138.09149	29.6
143.08627	1.7
145.10092	3.1
149.02402	1.5
149.09598	1.9
157.10156	1.8
159.11690	2.9
161.09653	1.8
163.11258	1.5
171.11783	1.8
195.06435	1.0
245.19173	1.2
272.20111	1.6
273.18521	9.8
276.20432	1.2
289.08542	1.6
290.21219	9.3
291.19473	6.8
308.22110	6.8
318.58978	1.1
332.22241	3.7
350.20013	29.7
350.23337	76.9
351.12094	1.5
351.21323	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.05508	4.3
58.05635	1.3
58.06602	5.5
61.15778	1.4
65.03939	3.0
67.05512	19.1
68.02642	1.9
69.07076	5.5
70.06599	62.6
71.04984	5.0
71.53553	1.8
72.08165	1.9
76.53367	1.2
77.07885	1.2
79.05501	100.0
80.16377	1.2
81.03423	1.7
81.07063	27.0
82.28870	1.3
85.05262	1.8
88.07625	9.9
89.04913	1.3
91.05490	47.3
93.07061	13.5
95.04981	15.5
95.08616	3.8
97.05322	1.7
97.06561	2.6
98.06052	1.8
105.07027	50.6
105.19662	1.3
106.07353	1.7
107.04958	7.6
107.08603	61.8
108.08897	1.2
109.06544	4.5
109.10183	1.4
117.07022	3.0
119.06105	2.0
119.08596	21.1
121.06511	2.2
121.10126	1.9
122.06073	1.4
129.07030	4.2
131.08586	10.0
133.06511	2.4
133.10162	17.0
136.07602	2.0
137.08372	8.2
139.09947	9.1
142.07762	2.9
145.10141	4.3
145.15479	1.4
147.08067	6.3
147.10510	3.1
147.11700	63.5
155.09430	11.1
157.10179	4.8
158.11789	5.2
159.11642	1.5
171.12033	5.9
175.11200	12.0
191.14314	1.4
192.13841	1.8
204.13863	2.8
220.11119	1.4
225.13661	3.2
244.17003	14.9
246.18590	11.3
262.18051	33.4
264.19772	1.7
280.19208	7.7
306.20703	2.5
308.18817	1.5
332.22223	83.2
333.22433	2.1
350.11050	4.0
350.24170	2.1
351.04739	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.9
57.03426	1.1
57.07078	1.4
59.04994	2.5
67.05505	2.8
69.07081	5.1
71.05003	10.1
71.52169	1.0
73.06562	4.2
79.05504	7.4
80.05841	1.1
81.06591	1.5
81.07066	25.0
83.04958	1.0
83.08633	1.0
91.05511	6.0
93.07055	18.6
95.04956	1.3
95.08609	4.2
96.08931	1.4
97.06521	3.4
103.05483	34.2
104.82934	0.8
105.07063	3.0
107.08606	15.0
109.10165	4.1
119.08611	2.1
123.11678	1.4
131.04947	100.0
135.11708	24.9
153.12761	45.1
163.07576	28.2
163.08632	0.5
163.08968	1.0
171.11917	1.6
175.07503	1.1
216.10226	1.2
276.20358	1.1
350.23001	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.2
57.03436	3.4
58.06591	10.8
58.85451	3.1
61.02921	5.8
63.23283	2.4
67.05505	7.9
69.03432	14.0
69.07060	8.2
69.27666	4.2
69.28077	19.3
70.06591	7.4
71.05003	73.3
72.08150	2.6
75.29632	2.5
79.05488	12.5
81.07069	100.0
82.06580	4.0
83.08606	6.4
85.02915	43.0
85.06557	22.3
85.76499	2.4
86.09715	10.1
86.89610	2.2
91.03991	4.1
91.05461	6.9
92.41364	2.6
93.07058	52.2
95.08624	21.2
97.02905	12.4
105.07043	4.7
105.08321	2.4
107.08624	42.2
109.02908	4.4
109.10159	11.5
110.10512	4.0
111.15778	2.4
119.08515	3.4
120.08121	3.3
121.10158	6.3
125.09647	4.7
126.09960	4.1
127.03908	9.8
128.07072	12.7
133.05016	3.9
133.10237	3.0
135.11699	53.4
137.13268	29.8
145.04965	19.4
152.11435	2.9
153.12758	12.3
157.13353	4.0
163.06036	10.4
169.12265	5.6
170.12608	10.0
179.05504	3.4
185.12958	3.0
231.40236	2.6
255.85349	3.3
278.80869	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	350.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62196	0.9
53.03944	2.0
55.05510	1.8
58.06583	2.7
59.04998	1.5
60.04532	16.8
64.40420	1.1
67.05499	3.7
69.07065	2.9
69.77547	5.1
71.05003	14.2
73.06567	2.1
74.35754	1.0
79.05521	4.7
79.43521	0.9
81.07066	17.4
83.08614	1.5
84.86631	0.9
85.02902	2.7
91.05489	2.1
93.07053	14.8
95.08601	4.4
97.06532	2.4
97.10198	1.0
98.20841	1.3
105.07041	1.6
105.94573	1.0
107.08602	9.8
109.10161	2.4
128.07037	1.6
135.11710	21.7
147.04411	1.1
153.12764	100.0
154.13159	1.0
278.24759	1.4
296.25833	2.2
314.26956	2.1
332.28088	5.5
335.05936	1.7
335.61520	0.9
350.08353	2.4
350.29025	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	350.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
53.95935	1.4
55.01874	2.9
55.05506	3.7
57.03432	5.1
57.07063	3.0
58.06606	7.9
60.04525	1.3
61.02935	7.3
67.05506	4.2
69.03437	13.8
69.07078	7.2
70.06609	3.0
71.04983	1.4
71.52482	1.5
72.08162	1.3
72.26705	1.4
73.02921	3.3
79.05500	18.2
81.03416	7.0
81.07060	13.0
83.04993	1.8
83.08632	3.7
84.04557	1.7
85.02914	65.6
86.09695	1.6
87.04469	2.5
91.03956	5.2
91.05490	5.3
91.62803	1.3
93.07051	35.3
95.08604	5.0
97.02909	15.8
97.06559	6.2
99.04460	4.0
105.07073	1.3
107.08604	26.4
109.02862	6.4
109.10167	6.2
117.07063	1.2
125.13288	3.0
127.03923	15.1
128.07104	2.2
133.10162	2.7
135.11707	100.0
137.13286	6.7
145.02940	1.9
145.04987	24.5
147.04404	1.5
147.08148	1.5
153.12767	22.3
163.06036	4.3
177.05420	2.3
297.17050	1.8
344.25073	1.3
350.23376	2.1
350.28964	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2741
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05512	1.6
57.07084	3.8
58.06609	0.4
60.82367	0.3
67.05512	2.2
69.07078	2.2
69.34372	1.4
69.34776	0.7
70.76841	0.2
71.04993	0.3
71.08645	2.3
79.05515	1.9
81.07063	4.4
83.04950	0.5
83.08620	0.9
85.06557	2.3
86.55663	0.3
91.05483	1.5
93.07043	2.1
95.08619	4.3
97.06557	0.7
97.10183	0.4
97.55248	0.2
99.08085	1.5
105.07023	1.4
107.08608	1.9
109.06528	14.7
109.10201	1.7
111.08082	0.6
117.07009	0.3
119.08588	1.7
121.06470	0.3
121.10186	1.6
122.07307	1.5
123.08080	20.8
123.11699	0.7
127.18299	0.3
131.08549	0.4
133.10106	1.2
135.08057	3.1
135.11755	0.4
136.08876	0.4
137.09624	0.7
137.13243	0.4
142.87666	0.2
145.10117	0.4
147.11713	0.6
149.09570	0.4
149.13231	0.3
151.14755	0.3
159.11731	0.4
160.98380	0.3
161.13263	0.6
163.14801	0.4
165.12767	0.9
167.07053	0.6
167.14291	0.8
179.14328	100.0
180.14665	1.0
189.16400	0.4
193.15910	2.2
203.17857	0.3
203.81258	0.2
275.20087	0.4
293.21054	0.6
331.26379	2.4
349.27399	85.3
350.27722	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03418	0.9
53.03934	1.8
55.01860	2.1
55.05494	0.9
57.03433	2.5
58.06607	16.2
61.10862	1.1
65.03968	5.9
67.05494	1.4
69.03442	6.1
69.70949	4.6
70.06589	3.2
71.04995	2.5
72.08141	3.5
74.17033	1.1
81.03415	2.2
81.07056	2.2
83.04964	3.2
84.04482	1.7
84.08139	2.7
85.02917	15.6
86.09711	2.6
87.04472	1.6
92.60807	1.1
93.03409	4.8
97.02911	6.0
98.97593	2.1
99.04472	6.1
102.05541	2.0
109.02905	2.9
109.06511	1.1
111.04449	25.2
112.03942	1.2
116.07068	1.0
121.03988	3.1
121.06490	1.2
127.03893	3.6
139.03915	76.4
141.05510	6.4
143.27443	1.1
145.04958	3.1
155.08167	1.2
156.04242	2.6
156.71089	1.1
160.07533	2.5
163.03966	2.9
170.11797	4.6
171.06538	100.0
180.08719	1.4
188.09096	1.4
188.12851	3.1
223.08650	1.1
305.12781	1.8
350.12079	1.6
350.16061	1.3
358.99417	1.1
363.20572	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.274
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01871	0.7
55.05515	4.6
57.07074	1.6
59.05007	0.4
62.56429	0.4
67.05512	4.0
69.07081	7.7
70.69460	0.9
71.04999	1.4
71.08642	1.1
74.23937	0.5
79.05500	2.8
79.27405	0.4
81.07066	7.8
83.04945	0.8
83.08635	3.9
85.06545	0.8
91.05483	1.6
93.07065	3.4
95.04987	0.4
95.08623	5.7
97.06539	1.5
97.10168	1.0
99.08098	0.6
105.07054	2.4
107.08612	3.7
109.06532	11.0
109.10148	2.5
111.08096	1.5
111.90654	0.4
117.07008	0.6
117.40047	0.4
119.08611	2.3
121.10152	3.2
122.07336	0.4
123.08082	56.2
123.11684	1.1
125.09621	0.6
133.10188	2.3
135.08058	3.8
135.11728	1.5
135.62010	0.5
137.09636	3.4
137.13200	0.8
145.10143	1.3
147.11708	1.9
149.09656	1.3
149.13274	1.1
159.11713	0.9
161.13303	1.1
163.11174	0.5
165.25301	0.4
173.13350	0.4
177.12773	0.7
179.14331	19.9
193.15962	0.7
231.16022	0.4
233.18990	0.5
275.20074	1.6
289.25293	0.8
293.21130	14.1
293.24295	0.8
307.22653	0.7
331.26346	2.5
349.27405	100.0
350.27774	2.1
371.85123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.274
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05497	2.6
56.77947	0.7
57.07087	5.0
67.05491	3.4
68.69037	0.7
69.07053	3.2
70.82723	1.6
71.04981	0.9
71.08611	3.2
79.05488	3.0
81.07063	6.8
85.06530	2.9
91.05504	7.9
92.05817	7.7
93.06157	2.8
93.07048	2.7
95.08607	5.2
96.77665	0.9
97.06539	1.0
98.94877	0.6
99.08070	1.7
104.86402	0.7
105.07038	2.1
107.08588	2.7
109.05801	1.4
109.06528	18.9
109.10171	2.0
117.07043	0.8
119.08577	2.3
121.10159	3.1
122.07317	1.7
123.08085	30.8
123.11686	1.0
133.10098	1.1
135.08051	2.7
135.11713	0.9
137.09601	0.8
147.11693	0.9
160.46980	0.7
179.14330	100.0
180.14569	0.8
191.23802	0.9
193.15880	2.7
200.34181	0.7
293.21161	1.7
331.26297	3.3
349.27451	93.4
349.31973	7.9
350.27631	1.3
350.34238	0.9
364.78488	0.8
368.30472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2741
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05517	5.1
57.03429	0.8
57.07071	1.3
59.04994	0.7
67.05505	5.8
69.06736	0.9
69.07082	13.4
70.07384	1.5
71.52326	0.7
72.41096	0.7
75.94341	0.6
79.05482	3.6
81.07062	8.5
83.04986	1.1
83.08629	4.4
84.08169	1.0
85.06565	0.8
86.09722	5.5
87.10054	1.7
91.05477	2.1
93.07050	4.8
95.08622	7.7
97.06548	1.7
97.10148	0.7
97.46272	0.7
105.07034	3.1
107.08614	4.8
109.06538	8.6
109.10152	2.7
111.08076	1.9
112.07641	3.6
113.07945	1.4
117.07015	1.0
119.08595	3.7
121.10165	2.8
122.07305	1.1
123.08083	59.1
123.11684	1.9
125.09567	0.7
129.56920	0.6
133.10168	1.9
133.58604	0.7
135.08040	4.0
135.11711	1.9
137.09598	3.4
143.42317	0.8
145.10139	1.5
147.04163	0.7
147.11685	2.0
149.09630	2.0
149.13275	1.2
151.11194	0.7
159.11734	1.7
161.13287	1.4
163.11226	0.8
165.12650	0.9
165.91188	0.8
173.13226	0.8
175.14792	0.7
179.14340	12.1
259.29102	0.8
263.20227	0.7
275.20105	2.3
293.21143	15.6
331.26340	3.5
349.27423	100.0
349.32861	11.8
350.27841	2.0
356.38416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.274
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.70092	1.2
55.05502	4.8
60.04345	1.0
67.05508	5.4
69.07080	9.5
71.04972	1.7
71.08636	1.8
71.44537	2.3
71.55345	1.0
79.03539	1.2
79.05504	3.6
81.07065	9.1
82.64592	1.0
83.04992	1.3
83.08651	5.2
88.11250	2.0
89.06044	1.2
91.05486	2.4
93.07049	5.0
95.08611	7.2
96.86626	1.1
97.10171	1.2
104.60290	1.0
105.07038	1.8
107.08606	5.4
109.06527	9.4
109.10162	2.5
111.08071	2.1
119.08600	1.7
121.10151	2.5
123.08080	57.5
123.11675	1.2
127.73176	1.3
133.10101	2.0
135.08087	4.3
135.11697	2.1
137.09669	3.6
138.32143	1.1
147.11635	2.0
149.13254	1.3
161.13336	2.4
179.14359	7.4
196.74214	1.0
198.23482	1.1
275.20111	2.5
279.87234	1.1
293.21140	17.1
331.26471	2.4
343.98981	1.6
349.27402	100.0
350.27698	1.3
350.34201	1.3
364.09341	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09653	6.4
53.03946	7.1
55.05510	25.6
57.07076	15.7
67.05513	46.0
67.29015	5.7
69.07083	29.1
71.07088	5.6
71.08638	9.2
79.05495	37.3
81.07066	52.8
83.08623	10.1
89.06031	5.2
91.05492	57.0
93.07050	68.9
95.04979	26.9
95.08614	61.7
97.06529	13.1
103.05451	6.6
105.07042	100.0
107.08602	68.3
109.06543	20.3
109.10174	38.7
117.07026	14.8
119.08576	98.1
121.06517	9.9
121.10168	86.6
123.08087	56.1
123.11716	14.0
125.91567	5.7
128.06236	11.4
129.07011	16.0
131.08574	39.8
133.10146	48.1
135.08090	15.6
135.11731	20.1
141.06941	5.7
142.07816	15.5
143.08572	45.8
144.09364	7.0
145.10144	63.4
147.08157	7.5
147.11720	19.5
149.09579	9.6
149.13315	9.2
155.08591	15.1
156.09418	11.3
157.10144	46.3
157.48897	6.6
158.10733	5.9
159.11752	25.9
161.09627	19.4
161.13318	11.1
169.10217	11.0
170.10860	6.1
171.11740	24.2
173.09637	6.2
173.13261	22.1
175.14906	8.4
179.08595	10.7
179.14317	42.5
181.10149	11.9
183.11832	12.2
185.09692	6.3
185.13271	13.9
187.14775	26.2
195.11736	20.4
196.67731	5.6
197.13315	8.4
199.14830	17.1
206.11028	5.8
207.11603	6.4
208.12491	6.6
209.13303	23.6
211.14777	10.6
223.14771	8.7
227.14322	16.6
231.38017	5.3
233.19089	7.0
281.95676	5.6
293.18982	9.4
308.53015	4.9
309.71487	5.7
349.06818	8.0
349.24905	34.5
349.27463	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.39222	0.4
52.70278	0.4
53.95538	0.4
54.01364	0.4
55.01873	0.6
55.05514	4.5
55.71902	0.4
57.07065	0.9
62.98561	0.3
64.78110	0.4
67.05510	3.2
69.07069	9.2
69.07450	0.3
69.25082	0.4
70.91196	0.6
70.91522	0.5
71.04980	1.2
71.08629	0.6
79.05490	2.9
81.07059	7.0
83.04992	1.1
83.08625	3.4
85.06532	0.7
91.05483	1.6
93.07064	4.6
95.04945	0.5
95.08612	6.3
97.06529	1.7
97.10166	1.0
103.97121	0.4
105.07030	1.7
106.89504	0.4
107.08596	6.0
109.06521	9.7
109.10167	2.9
111.08078	1.7
113.48720	0.5
119.08589	2.9
121.10165	3.2
122.07265	0.5
123.08073	58.5
123.11700	1.2
125.09644	1.0
131.08582	0.5
133.10117	2.9
135.08066	4.0
135.11700	1.9
137.09630	3.3
145.10077	0.7
147.11728	2.3
149.09634	1.6
149.13263	1.2
150.49164	0.4
151.11188	0.5
159.11708	1.0
161.13309	1.1
163.11139	0.8
163.14944	0.4
173.13321	0.6
177.12766	0.6
179.14308	9.9
195.38092	0.4
226.16632	0.4
233.19159	0.5
275.20056	1.7
289.25342	0.6
293.21127	14.1
307.22687	0.9
331.26346	3.1
349.27386	100.0
350.27814	2.1
350.37061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.6
55.05509	17.0
57.07073	11.8
60.64734	7.6
64.20356	5.0
65.03964	7.7
66.02409	5.6
67.05508	41.1
69.03445	6.4
69.07074	30.4
71.05001	6.6
71.08628	8.7
71.12478	6.5
71.12817	10.6
79.05501	36.2
81.07079	56.9
83.04977	6.3
83.08616	10.2
91.05496	55.2
93.07057	84.4
95.04980	29.1
95.08624	75.0
97.06507	10.6
97.68665	5.9
105.07050	86.9
107.08622	59.6
109.06544	20.7
109.10184	38.9
111.08029	6.4
117.07003	18.5
119.08594	88.8
121.06538	6.2
121.10160	100.0
123.08083	52.2
123.11698	19.6
128.06219	10.6
129.06985	15.3
130.07831	9.2
131.08597	47.5
133.10165	48.6
135.08072	14.3
135.11708	19.9
137.09608	12.5
141.07025	7.8
142.07816	14.8
143.08612	33.6
144.09390	8.8
145.10152	50.4
147.08083	8.4
147.11716	29.3
149.09639	19.0
149.13286	9.4
155.08589	10.9
156.09406	9.1
157.10191	40.7
159.11717	26.6
161.09605	18.0
161.13239	13.2
168.09337	7.7
169.10126	19.5
170.10974	6.7
171.11702	24.8
173.13239	17.7
175.14851	15.7
179.08551	8.3
179.14337	37.0
181.10101	11.2
182.11003	6.1
183.11740	16.3
185.13271	16.4
187.14905	15.7
195.11685	15.5
197.13208	10.2
199.14857	8.8
209.13278	34.1
211.14767	6.8
213.16466	6.9
227.14267	13.0
239.17877	9.3
255.17560	7.4
293.21219	14.8
331.23874	6.6
349.27316	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	349.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01865	5.5
55.05516	12.0
56.18939	1.1
56.96578	1.3
57.03446	12.2
57.07078	2.2
58.06610	6.7
65.03943	1.3
67.05186	1.8
67.05513	25.3
69.03434	2.3
69.07075	17.3
70.06595	1.4
70.53590	2.8
71.04993	1.7
72.08163	37.3
79.05089	1.9
79.05508	23.2
81.07069	33.9
83.05002	7.0
83.08615	3.9
87.81897	1.1
91.05493	21.1
93.06489	1.8
93.07060	31.9
95.04965	7.3
95.08076	1.4
95.08629	19.2
97.06525	4.6
97.10176	1.4
105.04566	1.6
105.07045	27.8
107.04979	8.9
107.08594	17.8
109.06541	12.2
109.10162	7.4
117.07032	8.7
119.08602	16.5
121.06535	10.7
121.10149	11.5
123.04444	1.1
123.08079	3.8
123.11737	2.2
125.09641	1.4
129.07034	2.4
131.08572	20.0
133.06500	5.0
133.10162	18.4
135.08060	5.3
135.11697	5.9
137.09610	2.0
141.93285	1.2
143.08574	2.9
145.06464	1.5
145.10165	13.2
147.08055	3.7
147.11702	11.8
149.09637	5.4
149.13246	3.8
151.11183	5.9
155.08502	1.3
157.10164	3.0
159.08069	2.0
159.11748	6.8
161.09625	3.6
161.13272	3.6
163.11206	6.5
163.14862	1.4
169.10194	1.1
171.11740	3.0
173.09618	2.8
173.13246	6.5
175.11205	3.1
177.12714	3.0
183.11763	3.2
187.11227	2.8
189.12848	1.3
191.14352	3.0
197.13287	1.9
201.12740	3.2
207.13866	4.1
213.16472	1.3
215.17960	2.4
219.13814	5.1
229.19507	3.0
233.15533	1.2
237.14940	1.3
239.18004	3.9
247.20705	3.8
251.18196	1.3
257.18994	14.7
275.20093	100.0
276.20270	1.7
278.21198	2.6
293.21143	9.8
331.22430	2.3
349.17438	2.1
349.23773	49.8
349.26941	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13501	2.0
53.03950	19.5
55.01879	18.2
55.05513	30.2
57.03448	18.6
67.05511	78.8
68.05796	2.2
69.03426	4.7
69.07078	72.8
70.77316	4.1
74.52819	2.2
79.05077	4.2
79.05503	59.5
81.03429	39.1
81.07063	92.2
83.04994	17.0
83.08630	17.7
85.06544	5.3
85.10115	2.5
91.05491	88.0
93.07053	68.3
95.01336	27.6
95.04979	23.0
95.08624	71.7
97.06546	26.1
97.10197	3.0
99.08118	2.3
103.05492	3.7
105.07042	100.0
107.04286	4.0
107.04964	40.5
107.08608	39.0
109.06535	11.0
109.10152	15.5
111.04443	3.8
111.08083	5.2
113.09650	2.2
117.07026	29.1
118.57899	2.3
119.04933	2.5
119.08604	54.1
121.06534	7.8
121.10166	14.2
123.04445	5.2
123.08086	19.8
123.11689	3.5
125.09660	4.9
129.06992	5.6
131.08582	37.8
133.10156	62.2
135.08086	11.4
135.11707	17.2
137.09660	5.7
141.06973	6.4
143.08524	3.8
145.06544	5.8
145.09082	2.7
145.10149	33.1
147.11716	30.5
149.09654	13.9
149.13239	11.2
151.11215	3.9
157.10159	3.5
159.08072	3.5
159.11679	22.8
161.02875	2.3
161.09608	2.9
161.13295	10.0
163.11201	8.1
165.09109	2.8
169.10143	7.4
171.11745	6.5
173.13260	9.0
175.11243	2.4
177.12755	10.7
179.14311	38.8
183.11725	5.1
187.11241	11.2
197.13281	4.6
219.13942	3.5
229.19511	2.8
239.17964	4.7
247.20515	4.2
257.19031	11.9
275.20090	94.6
293.21198	3.2
301.20203	3.7
349.10770	10.3
349.23740	82.9
349.27350	8.1
349.33948	2.7
353.55399	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	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13501	2.0
53.03950	19.5
55.01879	18.2
55.05513	30.2
57.03448	18.6
67.05511	78.8
68.05796	2.2
69.03426	4.7
69.07078	72.8
70.77316	4.1
74.52819	2.2
79.05077	4.2
79.05503	59.5
81.03429	39.1
81.07063	92.2
83.04994	17.0
83.08630	17.7
85.06544	5.3
85.10115	2.5
91.05491	88.0
93.07053	68.3
95.01336	27.6
95.04979	23.0
95.08624	71.7
97.06546	26.1
97.10197	3.0
99.08118	2.3
103.05492	3.7
105.07042	100.0
107.04286	4.0
107.04964	40.5
107.08608	39.0
109.06535	11.0
109.10152	15.5
111.04443	3.8
111.08083	5.2
113.09650	2.2
117.07026	29.1
118.57899	2.3
119.04933	2.5
119.08604	54.1
121.06534	7.8
121.10166	14.2
123.04445	5.2
123.08086	19.8
123.11689	3.5
125.09660	4.9
129.06992	5.6
131.08582	37.8
133.10156	62.2
135.08086	11.4
135.11707	17.2
137.09660	5.7
141.06973	6.4
143.08524	3.8
145.06544	5.8
145.09082	2.7
145.10149	33.1
147.11716	30.5
149.09654	13.9
149.13239	11.2
151.11215	3.9
157.10159	3.5
159.08072	3.5
159.11679	22.8
161.02875	2.3
161.09608	2.9
161.13295	10.0
163.11201	8.1
165.09109	2.8
169.10143	7.4
171.11745	6.5
173.13260	9.0
175.11243	2.4
177.12755	10.7
179.14311	38.8
183.11725	5.1
187.11241	11.2
197.13281	4.6
219.13942	3.5
229.19511	2.8
239.17964	4.7
247.20515	4.2
257.19031	11.9
275.20090	94.6
293.21198	3.2
301.20203	3.7
349.10770	10.3
349.23740	82.9
349.27350	8.1
349.33948	2.7
353.55399	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	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.2
55.01878	15.4
55.05513	49.9
57.03435	21.1
57.07067	4.8
62.41169	1.7
65.03932	3.9
67.05511	66.7
67.50964	1.8
69.03421	4.7
69.07073	27.8
69.95151	2.6
69.95490	8.7
70.88895	1.9
71.04975	7.3
78.48555	1.8
79.05499	100.0
81.03432	11.2
81.07062	54.5
83.04987	29.9
83.08624	14.1
85.06544	4.4
91.05486	52.8
93.06485	3.8
93.07048	66.2
95.01316	6.2
95.04988	16.0
95.08618	31.7
97.06522	12.4
97.10175	16.1
98.21397	2.8
103.05483	2.6
105.04489	3.2
105.07037	53.0
107.04960	34.8
107.08600	73.4
109.06511	8.1
109.10160	25.1
111.08055	6.3
115.05437	2.2
117.07034	17.7
119.06073	2.0
119.08591	35.7
121.06473	3.5
121.09489	2.0
121.10164	24.6
123.04435	3.0
123.08037	8.7
123.11693	6.2
124.53764	1.8
125.09648	16.6
129.07025	3.5
131.08594	24.8
133.10141	37.6
135.08029	8.6
135.11690	8.6
136.76721	2.0
137.09663	3.2
141.06981	3.0
143.08577	5.5
145.06503	2.8
145.10135	16.0
147.11694	19.8
149.09633	64.9
149.13255	3.9
153.09111	3.1
157.10181	4.7
159.11713	11.2
161.13266	7.6
163.11221	4.2
163.14842	5.5
166.02893	1.9
169.10191	3.0
169.12239	3.6
171.11740	4.6
173.11760	5.5
173.13255	7.5
177.37343	2.0
179.14336	12.6
183.11790	3.2
187.11194	3.7
187.14864	3.3
189.11220	7.3
191.14273	4.0
197.13184	2.8
205.12256	2.4
209.15327	9.7
214.49471	2.1
219.08093	3.1
229.19337	4.4
233.45477	2.3
239.17903	2.8
247.07631	3.3
247.20535	3.6
248.08540	2.3
253.79164	2.2
257.18976	10.9
275.06842	1.9
275.20099	59.6
291.06711	2.6
305.08060	8.3
318.08926	2.1
349.06793	2.9
349.10632	49.5
349.19797	8.5
349.23706	64.6
349.27405	6.3
349.33401	2.3
350.23566	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	349.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
56.96570	0.6
57.03447	1.0
58.06594	0.8
67.05509	1.7
69.07071	1.7
69.85645	1.3
69.86053	0.9
70.06582	0.4
79.05508	2.3
81.07056	3.3
83.04975	0.8
83.08624	0.7
91.05492	2.1
92.83678	0.4
93.07067	2.7
95.05017	0.7
95.08626	1.7
96.08153	2.3
97.02919	0.4
97.06522	1.2
97.10151	0.4
98.13146	0.4
105.07042	2.5
107.07965	0.4
107.08556	1.9
109.06569	0.4
109.10172	0.9
112.07598	1.1
117.06994	0.7
119.08613	1.7
121.02889	0.5
121.06547	0.4
121.10159	0.8
123.08116	0.5
131.08565	1.2
133.10158	1.9
135.11673	0.9
137.05757	1.6
143.08542	0.4
145.10132	1.5
147.11716	1.4
155.08566	0.4
159.11716	1.1
163.11227	0.4
173.13364	0.6
176.50748	0.4
185.13402	0.4
195.06555	1.6
221.11404	0.8
253.12875	0.8
257.19077	1.0
271.14075	0.4
275.20074	1.4
331.19003	0.5
349.19910	100.0
349.23483	4.6
350.19778	0.6
350.23331	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	20.8
55.01883	19.4
55.05305	2.4
55.05520	24.3
57.03443	29.4
58.06595	4.5
67.05511	75.1
69.03419	5.2
69.07079	70.9
70.06560	4.3
71.04996	5.5
71.52448	3.8
79.05500	67.5
81.03426	37.2
81.07067	97.3
83.05012	17.8
83.08639	12.6
85.06532	5.5
91.05489	76.2
93.06490	3.8
93.07059	70.2
95.01337	23.4
95.04984	21.5
95.08615	59.6
97.06541	37.5
97.10196	5.3
103.05482	2.8
105.07040	100.0
107.04964	46.0
107.08604	33.7
109.06531	12.8
109.10165	13.1
111.08092	4.1
117.07021	26.1
117.26299	2.3
119.04912	2.8
119.07818	4.6
119.08596	61.6
121.06496	11.5
121.10149	18.1
123.04454	6.2
123.08073	13.9
123.11674	4.9
125.09615	4.1
129.07027	9.7
129.09212	2.2
131.08571	42.4
133.06509	4.9
133.09134	3.7
133.10135	65.5
135.08063	5.5
135.11682	14.6
139.07567	4.2
141.06999	8.4
143.08580	8.7
145.06477	5.0
145.10136	37.8
147.11694	33.9
149.09668	11.9
149.13237	9.7
151.11189	3.7
157.10172	7.4
159.08040	3.7
159.11716	27.9
161.13266	8.6
163.11191	6.1
165.09192	2.7
169.10143	4.6
171.11717	5.6
173.13293	7.8
175.14778	3.0
177.12764	11.0
179.14317	36.4
183.11700	3.2
185.13345	2.7
187.11235	8.3
191.14421	2.7
195.13864	3.1
197.13199	4.7
201.12679	3.7
205.12202	5.4
239.17958	7.3
257.19052	16.4
267.61407	2.6
268.11581	3.5
275.20093	93.9
278.24896	2.9
293.21130	3.5
328.08804	3.1
340.15433	3.3
349.07193	7.7
349.19873	10.1
349.23764	82.7
349.31244	2.9
350.23862	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1861
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
52.93283	1.8
53.03948	2.9
55.05505	5.8
57.03432	2.8
57.07072	5.4
58.06592	5.3
59.05003	2.2
60.04515	5.9
61.02925	3.8
63.58613	1.6
67.05494	7.4
68.99821	3.5
69.03443	10.8
69.07076	15.7
70.06591	2.9
71.05001	19.2
71.52527	2.2
79.05505	11.0
81.03416	4.5
81.07065	74.6
83.04974	4.6
83.08615	3.3
85.02919	39.0
86.09718	4.9
91.05528	4.6
92.99831	2.5
93.07072	5.7
93.29231	1.9
95.04990	3.8
95.08609	8.5
97.02927	9.8
97.06548	8.0
99.04503	3.6
99.08085	6.7
100.11263	8.4
105.07028	3.7
107.04957	2.2
107.08595	6.4
109.02874	4.7
109.06467	2.7
109.10178	7.0
111.04456	4.5
111.08049	2.2
111.11713	6.3
112.89520	1.9
119.04909	2.1
119.08542	1.9
120.08085	2.0
121.02893	18.3
121.10163	3.2
123.11727	40.4
124.85441	2.1
127.03911	5.7
131.04950	2.3
135.08102	2.3
136.07568	2.9
136.61447	2.1
139.11201	21.0
141.12755	2.3
142.63913	1.9
145.02895	5.1
145.05014	6.6
151.11194	16.4
157.12239	20.9
157.13376	3.1
163.03915	5.1
164.07018	2.1
169.12257	100.0
175.03857	2.8
182.15443	2.4
187.03886	3.7
187.13310	44.1
187.14952	2.2
203.03477	4.9
207.03111	2.2
209.16487	2.4
210.14948	3.0
231.02917	5.2
268.10718	2.9
276.72818	4.2
293.08112	6.4
295.06027	2.6
305.08072	3.5
320.06659	2.9
321.07623	16.5
324.11493	4.3
331.12064	2.9
331.26721	2.2
349.07101	90.8
349.13248	4.2
349.27789	3.5
350.07764	3.0
373.14078	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1861
Annotation	Schizonepetoside E
Peak:m/z	Relative Intensity
53.03944	2.5
53.27666	1.4
55.01875	2.7
55.05511	6.5
57.03432	4.6
57.07078	2.3
57.51732	1.4
58.06603	1.6
59.04998	2.1
61.02929	5.7
67.05523	8.3
68.88999	1.4
69.03445	20.0
69.07085	14.5
70.06594	14.7
70.42236	5.1
71.05009	23.8
72.08168	2.7
73.02914	3.2
76.31818	1.4
79.05512	14.2
81.03454	7.7
81.07068	70.3
83.04990	5.5
83.08615	2.6
85.02918	67.4
87.04469	2.0
89.06029	1.6
91.03961	3.1
91.05479	5.7
93.07051	8.4
95.04990	4.0
95.08622	7.0
97.02921	15.9
97.06545	5.9
99.04465	3.2
99.08103	6.5
105.07063	4.3
107.08611	14.7
109.02856	9.0
109.06557	3.9
109.10178	18.7
111.08096	6.5
111.11714	5.2
119.08607	2.3
120.08119	3.1
121.10155	4.2
123.11729	42.6
127.03947	14.8
127.11191	3.4
131.38512	1.4
133.10141	4.9
134.09665	1.8
135.08067	1.9
139.11191	16.4
145.04999	7.6
147.08090	2.1
148.11214	12.1
149.11989	4.3
151.11200	37.8
151.12372	2.7
157.12302	15.6
169.12273	100.0
187.13316	38.4
202.08665	1.6
218.15358	2.8
228.40527	1.7
295.44720	1.6
305.22250	8.4
331.12872	4.0
349.14264	3.0
349.21426	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	349.186
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
52.08727	1.2
53.03939	2.4
55.01862	2.3
55.05516	7.1
55.05744	1.7
57.03422	4.0
57.07063	3.5
58.06607	10.9
59.04991	2.7
61.02909	5.0
67.05508	9.0
69.03436	12.3
69.07070	18.6
70.06593	2.3
71.05000	22.3
72.08154	1.2
73.02927	2.3
79.05502	7.7
81.03414	6.7
81.07064	80.3
83.04985	2.8
83.08624	2.0
84.08183	1.5
85.02914	44.0
86.09703	1.8
87.04446	1.4
87.08109	1.5
91.03954	3.5
91.05470	2.2
93.07054	6.6
95.08609	9.6
95.11315	1.2
97.02897	11.0
97.06528	4.9
97.10153	3.0
99.04462	4.2
99.08143	7.2
100.11259	5.8
105.03521	1.2
105.07022	1.4
107.08606	7.6
109.02878	9.0
109.06518	3.6
109.10175	12.5
111.08069	3.5
111.11726	6.3
119.08612	1.6
121.10120	4.6
123.11722	50.2
127.03922	8.0
127.11183	1.6
131.08592	1.3
133.10164	3.4
139.11197	23.6
141.12762	1.8
145.04956	7.8
147.04417	3.2
151.11198	19.7
151.56863	1.2
157.12247	21.5
157.13394	2.2
168.32451	1.3
168.96875	1.2
169.12257	100.0
187.13313	43.0
210.14880	2.4
243.12332	1.5
276.72824	4.5
328.59637	1.3
340.25827	1.5
343.30930	2.3
349.08643	1.5
349.18240	1.6
349.27716	1.6
351.57910	1.2
355.80624	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0897
Annotation	Pibocin B
Peak:m/z	Relative Intensity
55.05509	0.7
57.03442	0.4
62.33556	0.4
69.03431	1.3
69.07066	0.5
70.06588	1.5
71.04989	0.8
71.14682	0.6
71.15003	0.5
72.08152	0.4
77.36319	0.4
79.05476	0.4
81.03413	1.2
81.07063	2.3
83.08595	0.6
84.04494	1.0
84.08115	0.7
85.02910	2.1
86.09690	0.7
93.07040	0.4
95.08610	0.4
97.02899	0.6
98.20723	0.4
99.04434	0.4
99.08089	0.8
105.06998	0.6
107.08587	0.6
109.06457	0.4
119.04955	0.4
122.02721	0.6
123.11763	0.6
127.03934	2.0
130.43523	0.4
147.04422	1.2
151.11264	0.6
169.12230	1.3
185.04250	0.8
187.03690	2.1
187.13237	0.6
189.05482	0.7
202.09015	1.1
233.47806	0.5
244.72951	0.4
247.04486	1.2
262.52750	0.4
265.05637	0.5
307.06573	0.8
331.12997	0.7
349.08969	100.0
350.09012	1.2
367.08957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16560	2.3
53.03945	5.4
55.01868	4.2
55.05523	15.1
57.07077	4.0
58.06605	6.6
58.60724	2.6
66.28925	2.7
67.05513	46.7
68.21873	2.9
68.70872	2.4
69.07069	10.3
69.46582	17.3
71.08619	2.7
72.08167	40.0
79.05505	37.3
81.07069	52.1
82.85556	2.8
83.08624	5.5
86.35152	3.2
91.05500	25.2
93.07059	38.4
95.04951	5.4
95.08624	31.6
98.97598	3.0
105.07056	17.8
106.07460	3.4
107.04936	4.9
107.08588	17.5
109.10168	15.2
110.75429	2.7
117.06981	4.8
119.08614	12.9
121.10170	15.1
123.08073	4.4
131.08575	4.5
133.10117	14.4
135.08113	2.6
135.11705	11.6
137.13257	2.9
145.10129	5.8
147.11694	7.5
149.13278	5.7
157.10149	4.1
159.11855	3.0
161.13290	6.5
167.07005	6.5
168.07355	4.5
175.14839	3.7
179.14365	3.7
181.98387	2.7
217.19508	2.6
231.21083	4.7
241.19579	4.9
259.20602	9.5
292.29181	3.0
329.64963	2.9
330.27975	100.0
333.09366	2.6
348.28992	4.1
349.27539	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
56.05036	1.0
56.96566	36.4
57.03423	2.5
60.04524	1.8
61.02914	2.8
69.03430	6.6
70.06596	5.5
70.98105	2.3
71.05001	1.5
71.51205	0.7
72.08147	1.6
73.02917	2.8
74.06059	1.3
74.97579	1.0
75.55024	0.7
81.03417	2.3
84.08150	9.5
84.96037	9.9
85.02911	15.5
85.08484	1.1
86.03239	1.2
86.09705	2.7
87.04445	1.3
87.10049	1.1
87.44462	0.8
88.99145	1.2
91.05489	1.5
97.02895	7.3
98.03242	1.1
98.97591	88.0
99.04499	1.3
100.99136	1.1
101.00869	3.2
109.02895	1.4
110.07159	1.3
110.77219	0.7
110.97576	42.1
112.11283	1.2
112.99143	8.2
113.00863	1.4
115.00681	1.3
116.07102	1.8
116.98626	22.9
119.01907	5.6
119.04929	1.6
121.01678	1.1
124.99129	4.9
126.97047	1.5
127.00689	8.6
127.03909	3.5
128.98619	31.6
128.99582	1.5
129.10254	2.2
130.06584	1.1
130.08611	1.8
130.93294	2.7
131.00212	5.5
131.01892	2.6
133.01709	1.1
133.03444	0.8
134.99663	4.6
135.04404	1.5
136.06238	1.4
137.05968	3.6
138.68138	0.7
140.00117	0.8
140.98587	4.0
141.02252	1.1
143.00174	13.0
143.01888	6.0
144.98079	3.6
145.01732	19.5
145.02934	1.0
145.03461	1.8
145.04932	2.7
146.99670	12.8
147.04396	3.5
149.01201	1.4
151.03893	1.2
152.98587	2.1
155.00195	1.7
155.01909	1.7
156.96608	0.9
156.98091	1.9
157.01700	1.9
157.07603	0.9
158.99669	14.8
159.03291	2.9
159.05086	1.1
161.01233	9.7
161.02916	5.1
161.04730	0.9
162.99182	2.3
163.02783	13.9
163.03958	3.2
165.00731	2.9
168.99806	0.9
169.01787	2.4
169.03468	2.7
170.05202	2.1
170.99658	12.1
171.03326	1.5
171.05025	1.3
172.02744	1.2
172.94353	13.5
172.97571	1.5
173.01259	2.0
173.02951	2.8
174.97769	1.0
174.99142	4.5
177.00734	12.0
177.04251	4.9
177.54210	1.8
179.00110	1.0
179.07205	1.1
181.03822	1.8
182.03300	0.9
185.01305	1.1
185.02844	1.5
185.06656	1.3
186.04614	2.5
186.99284	1.0
187.00972	1.7
187.02791	5.7
187.04536	5.8
189.00728	7.5
189.04420	1.2
190.95416	8.4
190.98666	2.7
191.02336	1.8
191.03833	1.6
193.00223	3.6
195.01831	1.5
197.01204	1.5
198.95924	1.9
199.02739	2.2
199.04492	1.9
201.00662	10.8
201.02371	1.5
201.04414	2.1
203.02295	1.7
203.04048	1.9
205.00243	3.8
205.03842	5.5
207.01787	1.5
208.96492	2.4
208.99683	1.0
211.02769	1.8
214.95496	1.3
215.00403	2.9
216.14113	1.1
216.96936	8.5
216.98654	0.7
217.03711	1.2
217.05548	1.4
219.01779	85.4
220.02228	1.1
221.05185	2.5
223.00970	1.4
223.02962	4.0
223.04738	1.1
228.96858	1.0
229.00146	2.0
229.02049	1.4
229.03818	2.0
229.05624	3.5
231.05365	1.2
232.96458	1.2
232.99724	0.9
233.03340	1.1
237.02837	100.0
239.03302	1.2
239.06087	1.3
241.03879	3.0
242.03380	2.6
244.96352	1.1
245.05280	1.9
246.05585	1.2
246.94521	4.1
246.98091	3.4
247.03050	2.4
249.02760	1.3
251.00548	1.1
255.01601	1.5
255.03925	3.8
258.99924	1.7
259.02765	1.1
259.08356	3.1
260.04486	2.1
260.96002	2.3
261.02890	1.9
262.97662	1.1
263.04413	2.9
264.95459	3.7
267.03937	1.5
268.00012	0.9
271.04990	2.4
273.02817	1.0
274.97525	1.9
275.00256	1.0
279.03906	1.0
281.57312	1.0
288.95477	6.2
288.99164	4.0
289.05942	53.8
303.04398	1.3
303.07550	8.5
306.96622	12.3
306.99759	2.2
307.06985	90.4
308.07602	1.0
321.08542	7.0
330.08618	3.3
331.04730	1.0
340.10910	3.1
349.04861	2.0
349.08093	29.4
349.12344	1.1
367.09393	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	348.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19170	2.3
53.03935	3.1
55.01887	5.5
55.05265	3.1
55.05514	34.5
57.03426	6.6
57.07051	3.7
58.06594	7.7
59.05013	3.2
65.03907	3.6
67.05509	100.0
69.03413	4.7
69.07083	25.0
70.14376	2.4
71.04978	5.6
71.08641	17.2
71.52892	4.3
79.05502	33.3
81.06588	4.8
81.07063	85.9
82.90134	2.6
83.04982	9.4
83.08627	30.1
85.06544	6.8
91.05499	22.1
93.07056	53.2
95.04948	6.6
95.08607	30.0
97.06554	13.4
97.10178	27.1
99.08087	15.1
105.07009	17.4
107.08604	31.5
109.06533	4.3
109.10171	53.9
111.08084	13.0
113.09620	3.1
117.06996	5.1
119.08594	12.6
121.10149	15.2
123.11707	4.7
125.09647	21.2
131.08577	9.8
133.10156	17.1
135.08054	2.9
135.11711	16.2
137.09642	3.3
145.10135	4.0
147.11697	6.8
149.13261	35.6
151.11160	13.9
155.10683	20.4
159.11696	13.8
161.13254	10.0
163.11288	4.1
165.12746	3.6
171.10214	3.8
171.11745	3.9
173.11749	80.9
173.13213	5.7
177.12779	10.4
179.14272	8.3
189.11234	27.8
195.12018	5.2
195.13820	93.5
213.14899	49.5
231.21036	2.8
240.58852	3.7
259.20636	6.9
277.21631	55.7
295.22696	34.4
327.61185	3.0
333.05276	3.6
348.07883	12.9
348.12778	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	348.2748
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
55.05514	3.1
56.05050	3.2
57.03448	1.4
58.06616	0.9
59.79016	0.6
60.04533	100.0
67.05511	11.5
68.05041	0.9
69.07095	2.9
70.06599	1.3
71.05009	1.2
72.04524	3.5
74.06069	2.7
76.52216	0.6
79.05499	7.1
80.05020	1.3
81.03438	1.0
81.07066	13.6
82.06599	2.1
82.78987	0.5
83.04974	0.7
83.08636	1.5
84.04504	0.9
85.06560	0.8
90.05573	1.5
91.05485	6.9
93.07054	9.5
94.06592	1.9
94.85220	0.5
95.04936	1.1
95.08614	8.5
96.08154	1.9
98.06085	0.6
98.21498	1.6
99.08108	1.0
104.25527	0.6
105.07059	4.4
107.08615	5.0
109.10191	4.3
111.08051	0.7
117.07011	1.3
119.07317	0.6
119.08611	2.9
120.08136	1.1
121.10159	3.8
122.09644	0.7
123.08067	0.6
123.11745	1.4
129.47787	0.5
131.08578	2.5
133.10152	3.2
135.11736	2.2
136.07576	3.0
137.08420	0.8
143.08578	0.6
145.10114	1.1
147.11687	2.2
149.13258	1.3
157.10127	1.1
159.11694	1.0
161.13315	0.9
165.05539	0.8
166.05818	0.7
167.06120	0.7
169.12236	1.7
171.11543	1.3
173.13216	1.0
184.06915	2.1
185.07025	1.0
186.07309	1.0
187.13297	0.7
203.17996	0.7
217.19516	0.8
232.94373	0.6
258.22113	0.7
264.23248	0.8
276.23273	3.8
294.24283	5.7
312.25378	11.5
321.07364	0.6
330.26413	30.7
331.26990	0.6
348.27484	83.7
349.07022	1.5
349.27652	1.4
373.13742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.0
55.05499	4.2
55.05790	0.9
57.07059	1.5
58.06608	1.2
58.90613	0.9
60.04523	3.8
67.05503	6.2
68.05055	6.7
69.03436	4.6
69.07055	2.6
70.06599	26.6
71.05000	7.9
71.51782	1.0
71.52163	1.6
72.08154	2.5
79.05497	6.8
80.05029	1.3
81.07077	11.5
83.04976	6.3
83.08627	3.3
83.36494	1.0
84.08144	3.4
85.02902	4.2
85.06561	1.6
86.09719	3.5
91.05504	9.5
93.07059	10.5
94.06570	2.1
95.04968	2.5
95.08615	24.7
96.08142	8.9
97.06541	61.3
98.06046	3.0
100.07643	6.8
105.07047	15.4
107.04985	2.8
107.08612	17.1
108.08123	2.1
109.06539	9.4
111.08103	1.9
113.09654	28.7
114.05543	24.2
116.07101	12.5
117.07012	2.4
119.08587	12.2
120.08112	3.6
120.79816	1.0
121.06512	1.6
121.10169	9.6
122.09679	2.7
123.08095	3.5
123.11733	1.2
125.09643	4.9
126.03780	1.3
128.06247	1.7
128.07104	11.8
129.07021	2.2
130.08606	1.3
131.08572	13.2
133.10158	15.1
134.09691	1.4
135.08037	1.3
135.11693	5.2
136.07602	1.3
136.11227	6.5
137.06044	1.1
137.09615	4.0
140.07066	2.7
142.07767	4.0
142.08702	2.6
143.08553	2.2
144.04857	1.2
144.09344	2.9
145.10121	5.4
146.09709	2.3
146.10918	2.2
147.11700	14.3
148.11226	3.4
149.09630	4.3
149.13266	2.0
151.06316	1.8
151.07509	1.4
152.07085	1.6
154.08624	2.0
155.10687	100.0
157.10141	8.9
159.11707	16.1
160.08942	1.1
160.11272	2.5
163.11198	1.5
164.07103	3.0
166.08633	3.4
168.06506	1.9
168.10201	15.4
169.10240	2.6
171.11769	2.2
173.13286	3.9
174.12817	1.2
175.11182	19.4
177.12779	3.2
178.08649	11.6
182.11833	2.6
186.05888	8.0
187.10863	1.5
187.14827	1.3
189.12735	2.6
191.14322	2.4
192.10149	5.2
193.10974	1.5
193.15904	1.1
194.11798	8.5
197.13321	3.6
202.16013	5.2
204.10223	2.3
206.11798	2.5
207.13878	3.0
215.14369	14.2
217.16022	2.0
220.13338	2.5
232.13455	1.8
233.15413	3.7
234.11324	1.3
246.14902	6.4
247.15727	7.0
248.16527	6.0
250.05266	1.6
272.16464	1.9
274.08325	1.3
274.14355	1.5
284.09067	1.7
290.17584	8.7
293.89667	1.1
321.07748	1.3
330.09912	1.5
330.17047	2.1
330.20599	3.9
348.12524	3.9
348.21732	98.4
349.14078	2.9
349.22287	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.05511	4.2
56.55793	1.0
57.03436	1.0
57.07067	1.3
58.06613	2.0
62.37474	0.9
62.87994	1.0
67.05499	5.8
68.05042	5.0
69.03432	3.2
69.07078	4.3
69.26065	4.3
69.26485	5.8
70.06216	1.1
70.06596	19.9
71.05008	5.3
79.05487	8.2
81.03444	1.4
81.07067	11.2
82.06608	1.4
83.04984	5.0
83.08633	3.0
84.04474	2.6
84.08141	2.0
85.02915	2.2
85.06562	2.4
86.06068	1.2
86.09716	2.7
91.05496	5.6
93.07052	10.1
94.06570	2.2
95.04983	2.1
95.08610	20.8
96.05565	1.0
96.08128	5.7
97.06535	43.0
98.06073	3.6
100.07613	7.0
100.11238	1.5
105.07044	15.1
107.04961	2.7
107.08604	16.5
109.06515	12.1
109.10190	2.7
112.07635	2.4
113.09652	22.9
114.05535	19.1
116.07100	10.4
117.07009	2.2
119.08585	10.0
120.08150	5.1
121.06535	1.7
121.10148	6.8
122.09674	2.3
123.08080	4.6
125.09672	2.7
126.05553	2.1
128.07076	8.2
129.07025	1.4
131.08575	8.9
133.10135	14.9
135.11723	3.8
136.11214	5.5
137.09644	5.0
140.07065	2.4
142.07809	3.2
144.06624	2.1
144.09360	1.4
145.10158	5.3
147.11691	14.1
148.11263	5.6
149.09680	3.5
149.13243	1.6
151.06276	1.7
151.11191	2.7
155.10680	68.2
157.10152	8.3
158.08174	1.3
159.08124	1.1
159.11699	16.9
160.11194	2.3
161.09576	1.6
162.09082	1.5
164.07127	1.2
166.08670	2.3
168.10197	16.5
171.11737	2.6
173.13306	4.0
174.12845	1.9
175.11214	15.8
177.12737	1.3
178.08615	8.9
180.10262	1.7
191.14378	2.2
192.10281	3.2
194.11769	7.7
197.13284	2.3
202.15948	7.4
204.10164	1.3
206.11870	2.9
207.13828	1.4
215.14310	11.0
233.15459	1.8
234.15038	1.3
246.14919	5.6
247.15707	5.2
248.16373	6.4
262.14230	1.2
276.72943	1.1
290.17554	9.1
316.27386	1.1
330.20667	2.7
347.90015	1.0
348.21753	100.0
349.07092	2.6
349.22134	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2173
Annotation	Consabatine
Peak:m/z	Relative Intensity
53.03936	1.3
55.01871	0.9
55.05512	3.1
56.05046	0.6
56.96545	0.5
57.03440	0.7
60.04531	0.6
63.09518	0.4
67.05493	1.7
68.05014	2.6
69.03432	2.7
69.07056	1.8
70.06597	9.1
70.49169	1.3
71.04986	1.7
72.08143	2.0
74.31578	0.4
79.05503	3.2
81.03418	4.9
81.07066	3.0
83.04989	6.7
83.08608	1.5
84.04484	0.6
84.08163	3.5
85.02912	6.1
85.06536	1.3
86.03239	0.7
86.09701	1.5
90.35642	0.6
91.05488	5.6
92.75066	0.5
93.07053	8.6
94.06556	1.0
95.04964	3.7
95.08626	2.6
96.08132	1.3
97.02905	1.2
97.06519	1.7
98.06074	3.2
99.04441	0.7
100.07603	1.6
105.03388	0.6
105.07037	7.2
107.04960	1.8
107.08601	8.6
108.08113	0.8
109.02860	0.7
109.06526	3.7
109.10182	1.4
110.06062	6.6
112.95535	0.5
114.05531	6.6
116.07096	2.6
117.07020	1.3
118.06558	1.1
119.04927	1.3
119.08585	3.7
120.08097	2.6
121.06511	2.7
121.10159	5.8
122.06036	0.8
122.09695	0.8
123.04441	1.0
123.08058	0.8
123.11697	1.0
125.09635	3.2
127.03920	0.9
128.07108	2.1
128.57523	0.5
129.07034	1.2
129.10289	0.5
130.06523	1.4
130.08644	1.6
131.08591	1.6
132.08093	1.4
133.06516	1.5
133.10138	5.1
134.09666	2.1
135.08058	0.8
135.11711	1.7
136.06163	0.5
136.07584	0.6
136.11217	0.8
136.87772	0.5
142.07767	0.6
143.08528	0.8
144.06558	1.1
144.08177	0.9
144.09343	0.9
145.04955	0.6
145.10132	1.3
146.09692	0.7
147.04411	0.9
147.11685	2.3
148.11147	2.5
149.09628	6.1
151.06284	1.6
151.07527	9.4
153.01910	0.6
156.08101	2.9
157.10149	1.5
159.08014	1.2
159.11699	3.6
160.11273	1.0
161.09711	0.8
162.09157	2.5
164.10777	1.1
166.08669	1.8
167.10677	3.7
168.10204	0.7
169.08701	0.8
169.10005	0.7
172.07602	0.7
173.13275	1.0
175.11223	5.8
177.12837	0.6
178.08653	4.5
180.10239	1.7
182.11847	2.6
186.12827	0.9
189.12801	0.8
191.14316	1.1
192.10214	2.1
193.11060	2.9
194.11737	0.9
196.07483	0.6
197.13414	0.6
199.14818	1.2
202.15907	5.2
203.14316	0.5
204.10214	1.2
206.11758	0.8
208.09705	10.4
215.14346	1.9
223.02702	0.7
224.12901	0.8
232.13353	0.8
233.15401	15.9
246.14949	1.3
247.15706	5.7
248.12747	0.7
248.16489	6.4
264.15991	1.5
288.08630	0.8
290.17511	7.1
302.21222	0.8
312.19617	0.5
330.20691	8.4
348.21735	100.0
349.08990	3.6
349.22034	1.4
349.72986	0.5
367.07101	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.05507	4.1
57.07079	2.0
60.04502	1.8
64.71640	1.3
67.05506	5.3
68.05025	6.7
69.03424	2.7
69.07066	3.5
70.06260	1.7
70.06603	20.8
71.05012	7.7
71.43047	2.2
72.08147	1.5
73.23194	1.5
79.05486	5.6
81.07069	9.8
83.04983	6.2
84.38464	1.4
85.02907	4.4
85.06560	2.2
86.09697	1.7
91.05479	4.6
92.12697	1.5
93.07066	9.7
95.04992	2.1
95.08614	25.8
96.08141	6.3
97.06538	55.9
98.06049	1.8
100.07623	10.1
104.96281	1.4
105.07048	17.6
107.04916	2.7
107.08586	18.6
109.06550	11.6
109.10175	2.2
110.06020	1.9
111.08047	1.7
111.83772	1.5
113.05981	2.1
113.09649	28.1
114.05544	26.1
116.07106	14.0
119.08605	12.5
120.08121	4.7
121.06525	2.4
121.10153	7.0
122.09709	2.5
123.08089	3.7
125.09650	2.4
128.07092	11.2
129.07019	2.3
131.08559	15.2
133.10141	16.2
134.09706	2.3
135.08119	3.2
135.11691	7.0
136.10185	1.5
136.11229	7.8
137.09645	2.3
140.07008	2.0
142.07724	2.3
142.08699	2.5
143.08652	1.7
145.10156	6.6
147.11703	15.5
148.11205	4.6
149.09615	2.8
149.13261	1.8
151.06354	2.7
155.10683	100.0
157.10109	9.5
159.11685	14.7
160.11258	3.6
164.07028	1.7
166.08688	3.3
168.10220	16.6
173.13304	2.8
175.11206	20.8
177.12808	2.4
178.08635	11.4
184.36836	1.5
187.14931	2.4
191.14391	3.4
192.10207	4.5
194.11729	9.1
197.13269	3.4
202.15994	5.7
206.11749	2.4
208.09729	2.8
215.14328	13.7
217.15955	3.8
220.13527	1.6
233.15356	5.2
246.14996	5.5
247.15714	6.7
248.16429	7.3
262.18182	1.8
274.14426	1.6
290.17505	8.9
302.21237	1.9
305.19949	2.1
330.20694	3.5
348.21735	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	348.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59629	0.4
60.05654	16.3
70.06599	32.6
70.39323	1.3
71.04977	0.5
72.08163	1.9
82.37152	0.3
84.08155	3.1
85.02910	1.1
92.81387	0.5
97.07647	0.4
105.48243	0.4
112.08743	1.9
113.17420	0.3
114.05525	1.2
114.10329	0.7
115.08683	0.4
116.07104	14.5
130.09776	6.9
136.06143	0.4
137.97047	0.3
141.00085	0.5
144.10193	2.2
157.10852	1.2
158.09264	5.6
173.12793	0.5
174.08755	0.7
175.11919	100.0
228.05443	0.7
249.99895	0.6
336.39697	0.4
348.10593	1.0
348.20233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2172
Annotation	Consabatine
Peak:m/z	Relative Intensity
53.03942	0.8
55.01871	0.6
55.05508	2.3
57.07071	0.5
57.18497	0.5
67.05500	1.7
68.05036	2.6
69.03436	1.6
69.07067	2.2
69.49921	3.9
70.06600	10.3
71.04997	1.6
72.08156	1.5
79.05506	3.6
81.03431	4.4
81.07075	3.5
81.48947	0.5
83.04991	6.7
83.08640	0.5
84.04525	0.8
84.08142	2.0
84.17151	0.6
85.02923	0.9
86.09692	0.9
87.02671	0.5
91.05003	0.6
91.05478	3.7
93.07052	7.2
94.06564	1.8
95.04951	2.5
95.08614	2.8
96.08129	1.3
97.06564	1.5
98.06066	2.9
99.04462	1.2
100.07629	1.5
105.07042	6.0
107.04974	1.1
107.07381	0.9
107.08614	8.6
109.06546	3.0
109.10159	0.8
110.06052	6.0
111.04465	0.6
114.05534	6.4
116.07088	2.4
117.07016	1.5
119.08567	3.4
120.08154	2.6
121.06514	2.0
121.10159	5.2
123.08076	1.3
125.09665	2.2
128.07083	2.0
129.10228	0.7
131.08569	2.9
132.98044	0.5
133.06494	1.2
133.10136	6.6
134.09645	2.2
135.11700	1.7
136.06242	1.3
136.07507	0.5
136.11250	1.2
140.07082	0.7
143.08574	0.8
144.06615	0.8
144.09351	0.7
145.10139	2.3
146.09560	0.8
147.11685	2.4
148.11241	2.7
149.09636	5.0
151.06313	1.5
151.11188	0.9
155.10640	0.6
157.10187	1.6
159.08040	1.7
159.11700	3.9
160.08900	0.6
160.11244	1.0
161.09663	0.7
162.09120	2.9
164.07135	1.1
164.10703	0.7
166.08649	1.2
167.10655	3.1
168.10223	1.1
171.11630	0.6
173.13338	1.1
175.11192	4.6
177.09096	0.7
178.08662	4.8
180.10229	1.8
182.11775	1.9
183.61325	0.5
187.14928	0.8
189.12755	0.8
190.08641	1.1
191.14336	0.9
192.10196	0.8
193.11075	2.5
194.11797	1.1
197.13361	0.8
202.15926	3.8
204.10173	0.6
206.11710	0.6
208.09691	8.8
215.14378	2.0
230.11658	0.6
232.13332	0.8
233.15381	16.0
234.11259	0.8
244.17200	0.5
246.14876	1.1
247.15739	4.3
248.16502	5.7
264.15915	0.7
290.17526	6.7
302.21033	0.8
330.17007	5.4
330.20697	9.7
348.21735	100.0
349.18311	0.7
349.22079	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	348.1767
Annotation	Asp Thr Leu
Peak:m/z	Relative Intensity
56.05038	12.4
57.03436	3.0
58.06612	11.3
60.04534	1.9
64.12614	1.3
64.16869	1.6
67.05508	1.4
68.05000	1.4
69.03402	2.2
69.19971	9.9
69.20384	3.3
70.02956	5.1
70.06599	3.2
72.08156	4.1
74.06084	49.0
82.06585	5.6
83.06092	1.7
84.04514	29.3
84.08144	4.6
84.14056	1.2
85.02903	6.9
86.06090	2.3
86.09711	67.4
88.03996	26.0
90.94839	1.3
91.05502	1.6
97.02894	2.8
98.02419	2.3
98.06033	1.6
99.04467	1.4
99.09881	1.5
100.07623	12.4
101.07137	1.9
102.05532	2.8
107.04950	2.6
111.05576	7.9
112.03975	4.2
112.11219	2.3
119.04985	2.7
124.11230	2.5
125.06090	1.3
126.04588	3.1
126.05521	58.0
127.05035	2.7
129.06606	13.0
132.10210	26.1
135.04309	1.6
135.55110	1.5
136.03925	1.9
136.06204	4.8
136.07474	1.4
139.05084	1.5
141.13910	3.3
144.06569	100.0
145.05014	2.0
151.03896	1.9
151.07545	14.8
153.06612	3.8
154.05016	5.7
158.11833	2.0
159.11195	1.5
163.03979	3.5
169.05000	5.4
169.08531	1.4
169.13266	1.6
170.09325	3.0
171.07684	13.9
172.06104	1.6
187.14500	1.9
189.08713	91.3
191.92393	1.6
197.12852	5.9
198.08733	1.7
199.07155	12.4
215.13959	3.2
217.08212	74.4
233.14992	9.5
243.13396	3.2
284.16000	9.1
312.15430	3.6
330.16626	18.4
348.14111	3.0
348.17966	6.4
349.09161	9.1
367.08765	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06754	0.2
56.05040	0.4
56.70237	0.2
56.96529	0.2
60.05652	16.8
60.90995	0.2
61.02945	0.2
69.03436	0.6
70.06596	34.7
71.04999	0.8
71.06918	0.3
71.51203	0.5
72.08154	2.3
84.04542	0.4
84.08142	1.3
85.02901	1.7
86.09731	0.5
87.04472	0.3
88.07607	0.3
97.02875	0.5
97.07669	0.4
98.06073	0.4
98.97562	0.4
101.24184	0.2
110.07159	0.3
110.34998	0.2
112.08750	2.3
114.05540	1.5
114.10291	0.6
115.08703	0.6
116.07097	14.3
127.03919	0.8
128.07161	0.2
129.10242	0.6
130.09766	6.3
136.06187	1.6
138.05495	0.4
141.00049	2.1
141.06564	0.2
145.04999	0.3
150.05495	0.3
157.10890	1.4
158.09262	5.6
168.06619	0.4
169.03226	1.1
173.12897	0.3
174.08749	1.9
175.11911	100.0
176.12219	0.7
186.05879	0.5
190.05017	0.2
341.27060	0.3
348.10794	1.1
348.16443	0.4
361.05392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
57.03444	1.4
58.04581	0.5
58.06581	0.6
59.46654	0.6
60.04530	0.6
61.02917	2.2
61.07761	0.6
67.05471	0.8
69.03438	4.6
70.06584	2.2
71.05002	1.4
71.51551	0.8
72.08154	1.6
73.02932	0.9
73.20063	0.7
74.06090	1.1
77.17972	0.6
79.05506	1.1
81.03417	2.1
83.04971	1.0
84.04510	0.8
84.08137	3.1
85.02915	21.2
85.06545	0.7
85.60758	0.6
86.09690	1.9
87.04494	0.7
88.04044	0.6
91.03966	1.4
91.05490	13.4
93.07027	2.6
95.04960	3.0
95.08614	0.9
97.02906	5.4
99.04457	1.5
105.07060	2.1
107.08610	2.0
109.02895	1.9
109.06527	1.0
110.07123	1.1
119.04961	11.1
119.08578	0.6
123.04422	1.0
123.08124	1.0
124.07606	0.6
125.05975	0.6
127.03934	3.5
131.08563	2.1
133.10162	3.8
136.05193	1.5
136.06166	1.3
137.05994	1.6
145.02927	0.7
145.04939	5.7
145.10168	0.8
149.05951	0.7
149.09619	0.8
151.07561	100.0
151.11139	1.6
163.03932	2.2
165.09142	0.8
169.05038	0.9
169.08615	10.8
169.12276	2.9
180.08733	1.8
185.47697	0.5
186.11313	1.6
193.08713	0.9
209.11786	2.4
249.11356	0.6
277.10764	0.8
312.12610	0.7
348.14410	0.8
348.16382	0.9
348.20291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	3.7
57.03434	3.1
58.06603	5.1
60.04509	2.2
61.02916	5.3
65.03944	16.6
65.10723	1.5
67.05477	4.1
68.92838	1.6
69.03448	8.6
70.06575	5.1
71.05003	2.0
71.53307	1.8
72.08138	3.5
74.06081	9.6
77.26027	1.7
79.05483	4.3
81.03391	4.7
81.07045	3.4
84.04510	3.1
84.08146	8.7
85.02913	26.4
85.06526	3.2
86.09702	5.1
88.04005	2.2
91.05489	16.3
93.03407	23.9
93.07028	5.5
95.04963	6.1
97.02878	8.0
105.07039	6.0
107.04946	3.0
107.08583	7.1
109.02800	1.8
109.06496	2.2
109.10138	2.9
110.03645	3.2
110.07186	8.1
111.04447	26.1
111.05145	3.2
114.92065	1.5
119.04192	2.2
119.04958	12.9
119.08565	2.2
120.08132	1.6
121.06477	2.6
121.10098	2.5
122.02699	5.8
125.06005	31.0
127.03913	5.6
131.08592	11.9
133.10112	6.0
136.06201	6.5
142.70734	1.7
145.04999	5.7
145.10121	3.6
147.08099	1.7
149.09615	4.2
150.59660	1.8
151.03915	11.6
151.07550	85.8
151.11147	3.0
155.86272	1.9
163.03926	2.7
165.09061	2.6
169.04976	100.0
169.08569	9.4
169.12244	3.5
183.10202	1.7
186.11327	1.9
191.10626	4.8
207.10144	1.6
209.11694	7.4
227.12883	2.2
297.12207	2.4
326.89420	1.7
330.13977	2.6
338.30435	1.9
348.10559	2.0
348.14328	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	348.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
55.05515	2.8
57.03440	1.9
58.06612	1.5
58.99588	4.8
67.05507	4.8
69.03449	2.8
69.07061	4.3
69.84529	5.2
70.06600	16.6
71.05001	6.9
72.08163	6.6
74.00681	7.9
76.02224	2.9
79.05499	12.5
81.03426	1.7
81.07064	5.8
83.04972	1.7
84.04509	6.4
84.08154	17.1
85.02917	7.8
85.06559	1.6
86.09729	2.6
86.99060	3.8
88.03993	2.9
91.05482	7.7
93.07058	12.5
94.07329	1.1
95.04976	3.5
95.08626	2.2
96.08159	1.1
96.36340	1.5
97.02926	1.3
97.06550	3.6
99.02705	2.6
101.07127	1.4
102.05566	2.2
103.83293	1.0
105.00072	2.2
105.07045	10.3
107.04927	2.7
107.08610	17.2
108.08112	2.0
109.02881	1.4
109.06530	4.4
110.07182	5.2
116.36548	1.1
117.07032	1.6
119.04954	2.6
119.08588	5.7
120.01174	14.2
121.06523	9.4
121.10172	9.0
122.02732	5.4
123.02641	2.1
123.08070	1.6
123.11740	4.0
125.04234	6.2
125.06006	2.1
127.03921	1.5
128.05325	1.2
129.06969	1.9
130.08670	2.4
131.08582	39.3
133.06540	1.3
133.10139	3.1
135.02676	1.3
135.08063	1.7
136.07584	1.7
137.05957	2.2
139.05728	1.2
139.07559	1.1
140.14366	2.9
141.05455	1.3
141.47255	1.2
142.06880	3.2
143.08636	1.7
145.10132	10.6
147.08055	4.9
147.11729	3.0
148.11217	5.5
149.09637	26.1
151.07574	16.3
151.11218	3.5
153.05536	2.7
155.05305	1.4
155.07088	2.7
160.07574	1.3
163.05801	5.7
163.11177	8.2
165.05522	3.7
165.09138	1.2
166.12276	3.2
167.07121	1.4
167.10657	6.6
168.13873	2.0
171.04794	1.4
173.09508	1.6
176.07448	2.2
177.07477	1.9
180.73405	1.0
181.06860	9.9
186.11401	1.5
186.14888	8.3
188.07431	12.5
191.10690	13.3
207.10138	2.7
208.13437	1.4
209.09775	2.3
209.11768	40.1
223.07918	8.1
226.14398	5.8
229.10625	1.3
241.08957	2.4
252.10683	5.6
254.10033	1.2
266.12064	1.4
274.13000	2.1
284.13187	3.0
312.12607	29.4
312.15866	2.0
330.13751	100.0
348.12558	1.5
348.15097	1.8
348.20255	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	348.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.4
56.05048	4.0
56.96564	20.0
57.03439	3.1
58.06600	4.7
60.04526	11.9
61.02922	6.5
67.05502	2.7
68.61060	2.1
69.03436	17.5
69.07085	12.8
70.06597	11.2
71.04971	2.4
71.51719	2.1
72.08139	8.1
73.02913	5.3
74.06078	10.2
79.05496	3.3
80.05048	2.2
81.03403	7.5
81.57757	2.0
83.97629	9.5
84.04516	14.2
84.08159	14.2
84.96027	5.6
85.02917	38.4
86.09232	4.6
86.09717	65.1
87.05586	5.9
88.03993	3.3
89.03926	12.4
90.04298	2.5
91.05489	3.4
95.04942	2.8
97.02895	21.2
97.06516	3.1
98.97588	56.4
99.04479	3.3
101.07125	7.7
102.05547	3.7
107.04978	10.6
109.02869	5.5
110.97592	19.4
112.99138	3.0
116.07101	3.6
116.98627	15.8
117.03369	8.9
119.01740	3.0
119.04919	3.4
120.08060	3.5
121.02845	2.5
122.06016	3.8
123.04462	5.3
124.07555	3.0
126.05492	5.2
127.00780	2.2
127.03928	11.0
128.10730	2.5
128.98624	12.3
129.10266	5.8
130.04991	3.2
132.10231	5.4
133.02797	2.8
134.99666	4.0
135.04416	17.2
136.06200	34.2
137.06030	3.0
137.45403	2.3
140.07085	13.6
140.98578	5.1
143.00192	10.1
144.06526	8.6
145.01839	3.3
145.02827	14.8
145.04967	5.4
146.99684	5.8
147.04395	7.1
148.06032	7.9
148.09593	3.3
152.98582	5.2
158.99637	9.7
161.01224	9.1
163.02560	4.6
163.03914	82.0
164.04250	10.2
167.06880	2.4
168.06592	27.6
169.04913	3.7
170.99687	7.4
173.12885	37.6
177.00710	7.2
185.55304	2.5
186.07649	4.7
187.14444	29.1
189.00687	4.2
189.08682	7.2
191.03592	3.1
193.04410	6.1
201.00769	9.7
201.12416	15.7
210.07581	3.7
213.00888	3.5
214.92500	2.2
215.13931	8.9
217.08243	8.7
219.01790	41.3
220.02203	3.1
237.02834	52.4
250.60562	2.5
265.06558	4.0
266.58060	3.1
273.06705	3.3
303.07455	21.1
321.08582	31.4
330.12125	4.0
330.16824	3.3
341.05319	3.3
348.10498	100.0
348.14612	5.1
359.06479	8.6
366.10806	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	348.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
54.01143	0.5
55.01857	0.6
56.05027	0.6
56.96568	1.7
57.03434	2.2
60.04517	1.7
61.02914	1.7
62.87335	0.5
67.05506	1.1
69.03431	5.3
69.07073	35.5
69.84946	1.1
69.85345	2.1
70.02962	0.6
70.06596	5.1
72.08153	1.5
73.02908	1.3
74.06074	1.5
81.03410	2.4
81.07054	0.6
84.04497	2.0
84.08149	1.8
85.02911	18.2
86.09715	5.7
88.04002	1.2
91.05487	0.8
93.03387	0.5
94.05132	0.5
95.04959	2.4
95.06106	0.5
97.02911	7.1
97.06533	4.6
98.06078	0.7
98.97599	2.1
99.04469	0.6
103.03941	1.0
109.02890	2.9
111.04442	1.5
112.07611	4.4
114.18119	0.6
116.07082	2.1
123.04471	2.8
125.05979	1.3
126.05495	1.5
127.03938	4.7
132.10179	1.0
136.06200	2.5
140.07076	39.6
141.05449	1.9
143.00166	0.8
144.06540	1.1
145.04958	1.7
147.04385	1.7
150.05562	0.8
151.03838	0.7
151.07539	0.8
156.10182	0.6
158.99667	0.7
160.07919	1.0
163.03944	2.8
164.07059	1.0
168.06573	100.0
169.04971	4.7
169.06880	1.0
173.12982	0.7
182.08141	7.8
186.07619	17.2
189.08739	1.5
201.12422	3.4
206.08176	1.4
210.07625	17.2
216.09694	0.7
217.08157	1.5
219.01848	1.7
228.08733	2.2
234.07631	2.8
237.02934	1.3
248.09189	0.7
252.08594	0.8
264.08682	0.9
276.08835	1.5
286.02353	0.7
330.11731	0.7
348.13794	2.2
349.08850	1.4
365.05490	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2947
Annotation	5-(Heptadec-12-enyl)resorcinol
Peak:m/z	Relative Intensity
53.03951	1.4
54.37181	0.6
55.01879	0.8
55.05278	1.0
55.05518	15.4
57.07083	6.9
65.03934	1.1
67.05508	14.1
69.03433	0.7
69.07073	30.7
69.74670	3.8
71.08633	1.8
77.53587	0.6
79.05495	17.4
81.06591	1.4
81.07063	24.4
83.04993	1.2
83.08623	12.3
84.82308	0.6
85.06544	1.5
85.10174	0.9
91.05490	11.2
93.07050	35.8
95.04957	1.4
95.08614	24.3
97.06516	1.9
97.10173	5.1
98.21526	1.1
105.03393	0.9
105.04575	0.7
105.07040	11.6
107.08603	41.8
109.06514	1.5
109.10172	11.6
111.08080	1.1
111.11727	1.2
117.07030	1.0
119.08598	10.6
121.10151	23.9
123.08085	1.3
123.11710	5.7
125.09574	1.3
129.06998	0.8
131.08563	2.4
133.10136	8.4
135.08041	2.2
135.11697	11.0
137.09598	0.7
137.13272	2.1
139.11212	0.8
143.08601	1.0
145.10165	2.8
147.11714	5.0
149.13277	8.7
151.14839	1.6
153.12807	0.8
157.10126	1.9
159.11679	2.1
161.09604	1.1
161.13272	3.8
163.14812	6.3
171.11726	1.7
173.13307	1.1
175.14845	2.8
177.12798	1.5
177.16429	6.2
185.13254	1.7
189.12724	0.9
189.16417	1.3
191.17961	2.9
196.98828	0.7
199.14857	1.9
201.16434	0.8
203.14085	0.7
205.19545	4.0
207.13924	0.8
213.16440	2.3
219.21117	1.4
221.15387	2.0
223.16924	1.2
227.17981	1.7
235.16945	3.5
237.18445	1.2
249.18457	2.5
251.20222	1.2
263.20023	2.9
269.22699	1.7
277.21674	3.4
287.23694	1.6
291.23215	6.4
305.24692	1.4
347.22141	5.7
347.29468	100.0
348.29761	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.222
Annotation	Syringenin-4-O-geranyl ether
Peak:m/z	Relative Intensity
55.05506	9.3
57.07067	5.3
67.05497	10.0
69.07060	12.2
69.47021	19.1
69.47433	12.0
70.90292	4.9
79.05486	12.3
81.07065	73.8
93.07040	9.8
95.08616	32.0
98.20725	8.4
104.73648	4.9
105.07023	15.0
107.04980	7.4
107.08616	7.3
109.10157	11.8
119.08624	10.3
122.88824	4.6
123.04395	7.4
133.06485	8.5
133.10083	5.5
136.08682	8.0
137.13283	24.2
149.13344	4.9
155.46645	4.6
161.06013	17.5
164.38483	5.7
167.07065	100.0
187.07373	5.5
193.08644	8.8
205.08661	7.9
217.08714	6.2
219.10132	6.4
221.11526	7.6
223.13297	4.7
245.11693	5.3
273.14999	8.2
291.16092	7.8
329.21164	16.9
331.07071	5.7
332.05173	7.9
343.45828	4.4
347.07034	10.4
347.10745	9.7
347.22034	15.7
347.25912	8.3
366.83716	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	347.2219
Annotation	Syringenin-4-O-geranyl ether
Peak:m/z	Relative Intensity
55.05509	2.4
57.07080	3.7
60.20507	2.3
60.69679	2.0
67.05504	6.4
69.07085	12.3
70.13680	7.0
78.04726	3.0
79.05513	13.3
81.07066	87.5
86.66218	2.1
91.05484	3.6
93.07047	6.1
95.08619	35.3
103.55383	2.2
105.07050	11.4
106.28864	1.9
107.05003	4.5
107.08617	4.8
109.10184	6.1
115.05471	5.3
119.08550	3.0
123.04466	8.2
123.11694	4.9
124.05227	3.3
129.06970	3.9
133.06508	7.6
135.02637	2.0
137.13274	22.8
145.06491	2.6
149.13281	3.1
152.04721	3.5
157.06509	2.5
159.08086	2.5
161.06004	22.8
167.07065	100.0
171.08054	3.4
175.14882	6.4
178.06264	2.7
181.08595	4.4
189.09172	3.1
193.08592	19.3
193.15967	3.1
201.09157	4.2
205.08685	6.2
207.10155	4.3
217.08582	5.2
219.10201	7.9
221.08234	2.4
221.11798	4.7
223.09662	3.1
233.11736	6.0
235.13368	6.9
237.11250	4.3
241.12325	5.1
247.13321	6.1
259.13403	5.1
261.14951	3.8
273.14850	12.3
291.15878	8.6
297.18491	4.2
319.14560	2.3
329.21155	19.4
347.22202	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	347.0765
Annotation	Limocitrin
Peak:m/z	Relative Intensity
61.16897	0.3
68.15961	0.3
68.99824	0.4
70.77776	0.3
70.78136	0.7
81.07069	0.4
87.58586	0.3
119.04971	0.5
121.02847	1.0
134.03601	0.3
135.04399	0.3
137.05977	0.8
139.00291	0.7
146.03651	0.6
147.04402	1.3
150.22638	0.3
151.03954	1.0
151.79181	0.3
161.05963	0.4
164.04718	0.6
168.00609	0.9
169.01340	1.5
183.02927	1.3
186.01625	0.4
198.59267	0.3
215.03419	0.4
216.04123	0.4
217.05028	0.6
233.04524	1.4
243.02907	0.7
244.03729	2.0
245.04494	1.7
258.05267	0.5
259.06015	0.4
261.03961	5.0
272.03128	4.0
273.03934	7.6
286.04642	0.7
287.05618	1.6
289.03442	6.3
300.02744	2.0
301.03470	14.8
302.18723	0.3
303.05048	1.0
304.05765	1.0
314.04214	0.6
315.04959	5.8
317.02957	3.1
331.04498	1.1
332.05301	48.2
333.05798	0.5
347.07648	100.0
348.08105	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.124
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
54.74407	0.5
55.01876	3.4
55.05504	0.8
69.07037	0.5
70.36454	1.8
70.36955	0.4
71.04975	0.5
72.08152	0.6
73.06285	0.5
79.05499	0.8
79.05920	0.6
85.02912	0.7
85.06586	0.5
85.98621	0.6
95.08598	0.7
108.04468	1.0
110.06084	0.7
113.05225	0.6
122.93102	0.6
134.05956	1.2
136.07576	0.8
137.05986	0.7
138.05467	1.2
144.02763	0.8
152.03441	1.6
158.09714	0.8
160.03963	1.6
161.04727	1.1
162.05579	0.9
168.08101	1.2
168.91803	0.6
171.09221	1.0
172.07657	0.7
176.06993	0.8
178.05000	3.3
181.06451	0.7
182.09686	0.9
183.09308	0.6
185.07045	2.8
185.10822	0.9
187.05045	2.2
195.09280	0.9
196.07616	1.2
197.07039	1.1
198.07851	0.9
199.08673	5.2
200.10883	0.9
201.06619	3.3
201.10242	1.6
209.10855	0.9
210.09184	1.9
211.08684	1.8
212.10765	1.2
213.06593	7.2
213.10222	4.4
215.08217	0.7
215.11589	0.6
219.07687	0.6
222.07841	0.6
224.07280	0.7
226.07388	0.8
227.08179	8.9
227.11818	2.3
228.06592	0.7
228.10280	1.1
229.09784	3.8
231.07784	3.4
237.10362	3.3
238.08722	1.7
239.08179	1.9
239.11844	0.9
241.09761	6.0
243.07732	0.7
245.09268	1.4
247.08650	0.7
251.08070	1.0
255.07695	10.7
255.11273	7.7
257.09293	1.8
257.12918	1.4
259.07120	1.5
259.10846	1.2
265.09756	4.0
266.08023	1.1
267.07745	2.5
268.08594	0.7
269.09225	8.1
273.08694	3.9
273.12076	0.9
275.10373	0.6
283.07590	1.0
283.10791	19.8
284.09055	1.0
285.12073	0.8
287.10284	3.1
293.09198	7.3
301.11722	3.9
302.51529	0.6
311.10275	41.2
312.10797	0.7
319.12872	2.4
329.11337	68.3
330.11520	1.4
347.12399	100.0
348.12692	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	347.0763
Annotation	Laciniatin
Peak:m/z	Relative Intensity
54.05191	0.3
70.92718	0.7
89.58925	0.3
93.03401	0.8
97.27423	0.3
102.02943	0.4
105.04449	0.3
121.02838	1.2
130.88477	0.4
135.04457	0.4
136.01552	0.5
137.05934	0.4
146.03677	0.5
147.04391	0.6
149.02359	0.6
151.03914	1.6
153.01765	0.4
156.04111	0.6
156.46008	0.4
164.04704	0.6
168.00581	0.8
169.01381	0.7
182.02097	0.6
183.02904	15.7
193.10608	0.3
199.03790	0.4
213.05388	0.4
214.79912	0.4
216.04182	0.5
217.04964	0.6
222.82156	0.4
225.73755	0.4
231.06526	0.4
233.04407	1.1
243.02943	0.4
244.03674	1.5
245.04538	0.6
247.06128	0.8
249.04071	0.6
258.05389	1.0
259.06064	1.6
261.04007	3.4
272.03143	2.1
273.03955	3.4
275.05609	0.9
276.06256	1.1
286.04660	0.7
287.05603	1.7
287.77069	0.4
289.03336	1.7
294.67828	0.4
300.02698	1.2
301.03494	8.5
301.06793	0.5
303.04999	2.4
304.05695	2.5
313.77151	0.4
314.04211	1.1
315.05045	3.7
316.05429	0.5
317.02878	1.4
331.04480	0.8
332.05286	25.5
333.05548	0.5
347.07632	100.0
348.07956	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0764
Annotation	Laciniatin
Peak:m/z	Relative Intensity
64.97302	0.2
65.03931	0.3
65.77495	0.1
68.99796	0.4
69.03427	0.2
69.32192	0.9
69.32606	0.3
70.27876	0.1
81.03410	0.2
92.02613	0.2
92.64172	0.1
93.03412	0.7
95.04954	0.2
109.02846	0.2
121.02870	0.9
122.03635	0.2
123.04433	0.3
130.73151	0.2
134.03636	0.3
135.04378	0.3
136.01573	0.3
137.02364	0.2
137.05959	0.6
139.00244	0.3
139.03900	0.3
141.01820	0.2
146.03668	0.3
147.04419	0.8
148.05209	0.2
149.02339	0.4
150.03151	0.2
151.03934	1.5
153.01772	0.3
154.02614	0.3
155.03447	0.2
156.04164	0.7
161.05969	0.3
163.03955	0.4
164.04688	0.3
167.03391	0.5
168.00549	0.8
169.01332	0.8
169.05031	0.4
171.04381	0.3
181.01360	0.2
182.02078	0.9
183.02911	14.2
184.03423	0.2
184.05240	0.4
185.04367	0.2
185.05952	0.2
186.01677	0.2
189.05472	0.2
191.03386	0.4
195.02914	0.6
199.02286	0.3
199.04004	0.2
200.03217	0.4
200.67337	0.1
203.03403	0.4
205.04991	0.2
213.05443	0.2
215.03377	0.4
216.04265	0.3
217.04938	0.3
229.01305	0.2
229.05052	0.2
230.05663	0.3
231.06581	0.3
233.04530	1.3
240.04337	0.2
241.04964	0.3
242.05756	0.2
243.02934	0.8
244.03685	1.5
245.04547	0.9
247.02344	0.2
247.06038	0.8
248.06850	0.4
249.03874	0.2
255.02946	0.2
257.04413	0.2
258.05292	1.1
258.48123	0.2
259.06064	1.6
260.03177	0.2
261.03961	3.3
271.02295	0.2
272.03131	1.8
273.04001	3.5
274.04874	0.2
275.05490	1.2
276.06320	1.2
285.03931	0.4
286.04752	0.7
287.05545	2.5
289.03418	2.3
290.04276	0.3
291.08472	0.3
300.02673	1.6
301.03470	7.5
301.06778	0.3
303.05011	2.1
304.05783	2.6
314.04251	1.1
315.04993	4.2
316.05652	0.2
317.02866	1.1
318.07242	0.2
331.04425	1.3
332.05289	25.4
333.05527	0.4
347.07632	100.0
348.08044	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0762
Annotation	Limocitrin
Peak:m/z	Relative Intensity
50.06309	0.1
55.01881	0.1
58.06606	0.3
65.03943	0.2
68.99814	0.5
69.03439	0.1
69.07072	0.2
69.31847	1.1
79.05507	0.2
81.03442	0.2
81.07063	0.2
82.41024	0.1
91.05523	0.2
93.03445	0.3
93.07088	0.3
95.04984	0.2
97.10183	0.1
99.00858	0.1
105.03415	0.2
107.04980	0.2
107.08678	0.1
109.02881	0.2
119.04944	0.4
121.02859	0.9
121.10154	0.1
123.04429	0.2
124.05199	0.2
127.03963	0.2
133.02905	0.2
134.03667	0.5
135.04445	0.5
137.02344	0.2
137.05980	0.9
139.00238	0.8
139.11166	0.2
141.01834	0.1
146.03624	0.7
147.04434	1.3
148.05209	0.2
149.02379	0.3
151.03932	1.3
151.05034	0.2
157.12286	0.1
160.05197	0.1
161.02242	0.1
161.06004	0.4
162.03174	0.2
163.03955	0.2
164.04692	0.5
166.99864	0.2
167.03415	0.2
168.00540	1.3
169.01318	2.0
171.04439	0.2
173.02362	0.2
173.06030	0.2
175.03963	0.4
183.02882	1.7
185.00887	0.3
185.05849	0.1
186.01668	0.3
188.04716	0.2
189.05594	0.2
189.99797	0.1
191.03442	0.3
191.41927	0.1
193.04909	0.2
199.03987	0.4
203.03403	0.5
205.05112	0.3
213.05424	0.1
215.03418	0.4
216.04248	0.5
217.04996	0.5
219.02972	0.2
227.03612	0.3
231.02992	0.3
231.06537	0.3
233.04457	1.5
241.04968	0.2
243.02989	0.5
244.03699	2.2
245.04497	2.4
258.05411	0.6
259.06042	0.4
261.03964	5.2
262.04364	0.1
271.02332	0.4
272.03180	4.0
273.03964	7.0
275.05453	0.3
276.06314	0.2
285.03870	0.3
286.04776	0.6
287.05545	1.9
289.03436	7.4
299.01776	0.1
300.02682	2.9
301.03452	15.5
302.04147	0.2
303.04980	1.1
304.05597	0.7
313.03506	0.2
314.04230	0.4
315.04993	4.8
316.05627	0.2
317.02942	3.1
331.04517	1.7
332.05286	47.5
333.05756	0.7
347.07626	100.0
348.08029	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0765
Annotation	Laciniatin
Peak:m/z	Relative Intensity
54.33380	0.2
60.04553	0.5
65.03972	0.3
68.56358	0.2
68.99831	0.4
69.03461	0.4
69.07104	0.4
69.38796	0.5
69.39217	1.0
79.05516	0.2
81.03456	0.3
81.07065	0.4
85.02960	0.3
91.05508	0.3
92.02674	0.3
93.03398	0.8
93.07084	0.3
95.04971	0.2
105.03448	0.3
105.07027	0.2
109.02905	0.2
119.04973	0.3
121.02883	1.2
121.10207	0.2
122.03678	0.2
123.04501	0.4
131.04985	0.2
135.04469	0.5
136.01608	0.5
137.02437	0.2
137.06038	0.6
139.00311	0.3
139.03909	0.3
146.03683	0.4
147.04483	0.7
149.02396	0.3
149.06029	0.2
151.03915	2.0
153.01857	0.4
154.02625	0.3
155.03543	0.2
156.04173	0.9
161.06055	0.4
163.04012	0.2
164.01030	0.2
167.03477	0.5
168.00583	0.8
169.01335	1.2
169.05093	0.4
171.04485	0.3
177.05649	0.2
182.02185	0.8
183.02910	13.0
185.00909	0.2
185.06017	0.4
186.01671	0.3
191.03394	0.5
193.05157	0.3
195.03011	0.5
199.02390	0.3
199.04039	0.3
200.03357	0.3
203.03441	0.3
213.05522	0.2
215.03415	0.4
216.04274	0.5
217.04944	0.3
229.04913	0.2
230.05670	0.2
231.06612	0.4
233.04532	1.1
241.04988	0.3
243.02957	0.8
244.03656	1.8
245.04448	1.3
247.06049	0.6
248.06847	0.2
257.04449	0.2
258.05273	1.3
259.06012	1.4
261.03976	3.4
272.03159	1.9
273.03967	3.3
274.04681	0.2
275.05484	1.2
276.06332	1.1
285.03970	0.3
286.04730	0.9
287.05533	2.2
289.03467	2.2
290.04187	0.2
300.02606	1.5
301.00006	0.4
301.03485	7.9
301.06717	0.4
303.05026	2.4
303.17926	0.3
304.05795	3.2
314.04282	1.2
315.05008	4.7
316.05728	0.3
317.02936	1.1
318.07239	0.2
331.04529	2.2
332.05301	25.6
333.05475	0.4
347.07635	100.0
348.07895	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0763
Annotation	Laciniatin
Peak:m/z	Relative Intensity
58.06622	0.2
60.04536	0.4
67.05514	0.1
68.99821	0.3
69.07075	0.2
69.41697	0.7
69.42114	0.2
78.04722	0.1
81.03428	0.1
81.07063	0.2
91.05478	0.2
93.03426	0.2
93.07069	0.2
95.05000	0.2
95.08617	0.1
97.02892	0.1
97.10198	0.1
99.00795	0.1
105.03395	0.2
105.07027	0.1
107.04985	0.3
107.08617	0.2
119.04971	0.3
121.02868	1.3
121.06492	0.1
123.04443	0.2
124.05219	0.2
132.05702	0.2
133.02866	0.1
133.44109	0.1
134.03627	0.9
135.04469	0.6
136.05278	0.1
137.02332	0.2
137.05965	0.9
139.00244	0.7
139.11249	0.1
142.02637	0.1
145.02859	0.1
146.03650	0.5
147.04416	1.2
148.05247	0.2
149.02368	0.3
151.00307	0.1
151.03902	1.7
151.04958	0.1
153.01753	0.2
154.02562	0.1
155.03462	0.1
156.04097	0.1
157.12318	0.1
159.04413	0.2
161.06020	0.4
162.03198	0.2
163.03931	0.2
164.04720	0.7
166.99776	0.3
167.03552	0.1
167.10706	0.1
168.00557	1.1
168.04279	0.1
168.60429	0.1
169.01334	2.5
169.04985	0.3
171.02985	0.2
171.04420	0.2
173.02405	0.2
174.03108	0.2
175.03954	0.3
177.05493	0.2
183.02919	1.4
183.04358	0.2
185.00868	0.5
185.05952	0.1
186.01630	0.2
187.03938	0.2
187.23772	0.1
188.04752	0.2
189.05467	0.3
191.03444	0.3
193.01433	0.1
199.03917	0.4
203.03429	0.6
205.05045	0.3
215.03456	0.5
216.04283	0.6
217.04965	0.5
227.03392	0.1
229.05000	0.3
230.05714	0.2
230.63977	0.1
231.02930	0.3
231.06569	0.3
233.04474	1.4
243.02980	0.6
244.03688	3.1
245.04500	2.2
246.05066	0.1
247.02322	0.2
247.06012	0.2
255.03009	0.2
257.04233	0.2
258.05423	0.5
259.06140	0.7
260.03186	0.2
261.03958	6.0
269.04382	0.3
271.02512	0.3
272.03174	4.7
273.03964	7.0
274.04578	0.1
275.05579	0.3
276.06030	0.1
285.03915	0.4
286.04675	0.5
287.05524	2.3
289.03442	7.5
299.01843	0.2
300.02679	4.4
301.03455	16.5
302.03818	0.2
303.05118	1.1
304.05670	0.7
314.04245	0.4
315.05005	4.9
315.08701	0.2
316.02011	0.1
317.02911	2.7
317.06433	0.2
331.04465	1.9
331.34637	0.1
332.05286	50.3
333.05536	0.8
347.07626	100.0
348.08032	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0765
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
55.01871	0.7
67.05513	0.8
68.99786	0.7
69.03428	0.9
69.07059	1.3
70.50756	1.2
79.05482	1.3
81.03418	0.7
81.07071	1.5
85.02929	0.7
91.05482	1.1
93.07044	1.5
95.04956	1.2
97.06538	0.9
99.77040	0.5
103.24551	0.5
105.07030	0.9
107.04946	0.7
107.08604	0.7
109.02879	0.7
109.10165	1.0
119.08586	0.7
121.02886	0.8
121.06509	1.2
121.10150	0.7
123.04465	0.6
135.04424	8.1
137.05978	2.3
147.04352	0.8
149.02258	0.6
153.01874	1.1
155.03462	2.6
156.78711	0.5
163.03912	0.7
165.05525	2.9
168.00589	1.3
169.01335	7.4
181.01303	1.6
183.02982	1.1
186.01556	0.6
191.03418	0.6
210.01550	0.6
212.04712	0.7
229.04988	1.0
231.10329	0.6
235.25652	0.6
246.05249	0.6
257.04373	1.3
258.05225	0.7
269.04321	0.8
285.04010	2.1
286.04767	1.2
287.05447	3.0
301.03677	1.2
301.06931	1.1
303.04990	11.8
312.32382	0.6
313.03436	1.1
314.04251	1.7
315.04770	2.8
316.05856	1.3
317.02902	1.8
318.03760	1.5
329.06534	0.7
331.04495	24.4
332.05167	7.0
347.07635	100.0
348.07980	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33380	0.2
60.04553	0.5
65.03972	0.3
68.56358	0.2
68.99831	0.4
69.03461	0.4
69.07104	0.4
69.38796	0.5
69.39217	1.0
79.05516	0.2
81.03456	0.3
81.07065	0.4
85.02960	0.3
91.05508	0.3
92.02674	0.3
93.03398	0.8
93.07084	0.3
95.04971	0.2
105.03448	0.3
105.07027	0.2
109.02905	0.2
119.04973	0.3
121.02883	1.2
121.10207	0.2
122.03678	0.2
123.04501	0.4
131.04985	0.2
135.04469	0.5
136.01608	0.5
137.02437	0.2
137.06038	0.6
139.00311	0.3
139.03909	0.3
146.03683	0.4
147.04483	0.7
149.02396	0.3
149.06029	0.2
151.03915	2.0
153.01857	0.4
154.02625	0.3
155.03543	0.2
156.04173	0.9
161.06055	0.4
163.04012	0.2
164.01030	0.2
167.03477	0.5
168.00583	0.8
169.01335	1.2
169.05093	0.4
171.04485	0.3
177.05649	0.2
182.02185	0.8
183.02910	13.0
185.00909	0.2
185.06017	0.4
186.01671	0.3
191.03394	0.5
193.05157	0.3
195.03011	0.5
199.02390	0.3
199.04039	0.3
200.03357	0.3
203.03441	0.3
213.05522	0.2
215.03415	0.4
216.04274	0.5
217.04944	0.3
229.04913	0.2
230.05670	0.2
231.06612	0.4
233.04532	1.1
241.04988	0.3
243.02957	0.8
244.03656	1.8
245.04448	1.3
247.06049	0.6
248.06847	0.2
257.04449	0.2
258.05273	1.3
259.06012	1.4
261.03976	3.4
272.03159	1.9
273.03967	3.3
274.04681	0.2
275.05484	1.2
276.06332	1.1
285.03970	0.3
286.04730	0.9
287.05533	2.2
289.03467	2.2
290.04187	0.2
300.02606	1.5
301.00006	0.4
301.03485	7.9
301.06717	0.4
303.05026	2.4
303.17926	0.3
304.05795	3.2
314.04282	1.2
315.05008	4.7
316.05728	0.3
317.02936	1.1
318.07239	0.2
331.04529	2.2
332.05301	25.6
333.05475	0.4
347.07635	100.0
348.07895	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
55.01870	3.5
55.05512	17.1
57.07055	3.1
63.66011	1.8
65.03925	3.1
67.05190	2.1
67.05513	35.6
67.46329	2.3
69.07059	8.1
70.06561	2.7
71.52879	2.3
72.08161	49.1
76.13363	2.2
79.05068	2.5
79.05498	31.2
81.03399	3.5
81.06659	2.6
81.07069	35.1
83.04967	2.2
83.08649	2.6
91.05492	47.9
93.07053	37.1
95.04924	3.2
95.08615	25.6
97.10159	2.7
103.05455	2.7
105.07038	41.0
107.04961	3.3
107.08620	18.7
109.10157	11.0
117.07013	17.3
119.08591	30.4
121.06512	4.9
121.10151	15.7
123.08068	3.4
129.07014	6.8
130.07764	3.1
131.08583	23.1
133.10136	23.7
135.04420	1.8
135.08000	1.9
135.11716	14.7
141.06990	3.3
143.08510	5.9
145.10136	23.4
147.11694	22.3
148.43852	2.3
149.13242	5.2
157.10144	3.6
159.11707	13.1
161.09579	4.9
161.13222	6.3
165.56987	2.0
167.07079	5.1
169.10152	2.6
171.11716	4.8
173.13313	13.1
187.14839	5.5
189.16360	2.8
194.15404	2.0
197.13306	3.3
215.17970	16.8
229.19554	27.8
231.21085	2.6
239.17932	7.5
257.19031	17.4
279.04825	2.0
298.31119	2.7
302.07397	8.0
314.07104	2.4
316.22232	2.5
328.26370	100.0
330.07047	10.2
331.07684	9.4
344.07254	2.4
346.09988	39.3
346.27441	7.4
346.33084	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	347.074
Annotation	Cassipourine
Peak:m/z	Relative Intensity
51.95705	8.4
54.01162	7.9
60.05648	9.5
66.53142	8.2
70.06580	35.1
70.87353	19.0
71.04973	10.0
114.05539	35.3
116.07064	11.2
137.17480	7.7
174.08784	100.0
175.11922	20.9
178.99663	8.6
279.07602	14.0
288.66971	8.1
332.03967	8.4
347.07376	87.4
347.13345	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
55.05513	3.3
57.07077	7.7
65.22417	0.5
67.05510	9.7
69.07065	4.4
69.10758	0.4
69.86297	2.4
70.06593	2.0
70.62238	0.4
71.05001	0.6
71.08629	0.4
74.06057	0.7
74.09717	1.5
77.03930	1.1
79.05495	4.5
81.07063	59.4
83.04986	0.7
83.08617	1.5
83.87771	0.4
88.07644	1.2
91.05481	0.9
93.07054	3.7
95.04984	4.6
95.08612	14.2
96.08893	0.4
98.06062	11.7
98.21422	0.7
98.87766	0.5
105.03398	100.0
105.07014	1.1
107.08569	0.7
109.10180	0.6
112.07599	1.3
121.10175	0.5
123.04382	2.0
123.11716	76.7
124.12015	0.8
125.13257	0.5
126.12798	0.7
127.08231	0.4
130.12242	0.7
133.10150	1.4
140.10667	1.0
143.09256	0.5
145.49368	0.4
151.11179	1.2
154.12251	2.4
168.13824	0.6
181.01306	0.4
224.20027	3.3
245.15395	15.6
291.15836	0.8
291.29688	0.4
298.31226	0.7
302.07388	1.5
328.26248	0.5
330.06955	1.6
331.07602	2.1
346.06329	0.9
346.10068	8.0
346.23788	42.6
346.32712	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	346.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82964	4.1
55.05515	25.0
57.03428	4.1
67.05511	65.9
69.07076	27.4
70.80270	10.3
75.75243	4.0
79.05490	31.8
81.07065	72.2
83.04997	8.6
83.08619	22.3
85.06566	5.1
91.05487	30.5
93.07048	39.7
95.04933	6.8
95.08614	32.1
97.06530	12.9
97.10184	20.5
99.08105	7.8
101.73557	4.5
105.07052	26.4
107.04938	4.9
107.08597	47.8
109.10156	36.8
111.08100	10.1
117.07051	10.7
119.08569	17.9
121.10141	13.3
123.11681	8.4
125.09633	17.5
131.08565	11.3
133.10172	25.4
135.11687	17.0
135.94623	4.7
145.10141	10.5
147.11682	10.4
149.09663	13.3
149.13251	25.6
155.10667	15.5
159.11691	19.8
161.13245	5.3
173.11769	49.9
177.12804	8.9
183.41307	4.3
189.11237	13.8
195.13817	78.4
213.14857	36.8
223.94527	4.7
239.17813	5.0
240.54167	4.4
257.19073	13.4
275.20081	100.0
293.21063	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2745
Annotation	Dihydroatisine
Peak:m/z	Relative Intensity
53.03942	4.3
55.01875	4.5
55.05518	19.6
57.03437	2.1
57.07076	1.9
65.03954	1.6
67.05514	37.4
69.07077	9.9
70.06588	3.8
70.96521	3.3
72.08165	50.2
75.18793	1.3
76.60808	1.4
79.05507	39.6
81.03423	3.4
81.07072	32.0
83.08620	1.6
86.26813	1.7
88.44589	1.2
90.09209	1.6
91.05493	42.7
93.06479	2.2
93.07055	37.2
95.04982	2.9
95.08065	2.0
95.08619	28.8
95.31474	1.1
97.10159	1.8
99.82138	1.2
105.04539	1.3
105.07044	43.8
107.04945	3.4
107.08614	22.5
109.06525	1.2
109.10168	10.1
115.05451	3.4
117.07026	16.7
119.08602	26.8
121.06483	2.1
121.10168	13.9
123.08109	1.8
123.11727	2.8
129.07018	7.3
130.07860	2.4
130.96626	1.4
131.07614	1.4
131.08583	28.2
133.06506	1.8
133.10161	29.0
135.08058	2.1
135.11705	15.3
137.09669	1.6
141.07013	1.8
143.08557	5.4
144.09457	1.2
145.10149	28.3
147.08113	1.4
147.11720	19.6
149.13261	4.9
155.08556	3.9
157.10107	4.6
159.08055	1.8
159.11720	14.3
161.09654	4.7
161.13243	5.5
163.14868	1.9
167.07013	2.5
167.08501	1.5
169.10127	3.5
171.11717	4.7
173.13301	12.4
175.11220	1.4
175.14809	2.5
183.11746	3.6
185.13260	1.2
187.11111	1.6
187.14851	3.1
189.16435	2.0
193.50845	1.4
194.15468	2.0
197.13228	1.4
201.16353	2.7
213.16473	2.7
215.14520	1.8
215.18001	16.3
229.19530	29.3
231.21086	3.4
239.18021	6.5
257.19028	19.1
261.34222	1.4
300.23016	1.5
302.07504	2.4
328.26379	100.0
329.26636	1.7
330.06885	2.0
331.07703	2.1
346.10056	12.5
346.27307	9.8
346.33200	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	346.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
54.29071	1.8
55.01862	4.3
55.05519	2.1
57.03436	5.3
58.06613	3.4
61.02936	10.3
67.05527	2.0
69.03435	20.9
70.06574	2.1
70.69606	3.8
71.04999	3.2
73.02924	2.2
81.03429	10.3
85.02916	100.0
86.09718	16.9
91.03959	5.5
91.05494	2.1
97.02908	35.3
99.04447	4.6
105.03367	2.4
105.07012	2.0
107.04967	71.6
109.02886	9.9
119.08633	2.3
121.06520	3.7
127.03961	19.9
127.55936	1.9
133.08934	1.9
145.04970	46.4
147.08040	2.3
149.06013	27.3
163.06056	8.5
167.07097	15.3
173.05914	4.6
180.08694	24.5
184.09708	5.1
199.18158	4.3
207.10234	12.3
215.07068	8.8
227.17592	2.8
233.00793	1.9
233.08167	9.8
275.09232	4.2
277.70813	2.2
297.03210	2.2
328.12262	4.5
328.15744	2.1
346.15485	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	346.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01876	1.4
55.05517	3.4
56.05030	1.5
57.01958	1.0
57.03443	1.9
57.07086	1.2
58.06604	7.1
59.04998	1.0
60.04522	0.9
67.05505	3.2
68.05037	33.1
68.97888	1.3
69.03072	0.9
69.03426	7.2
70.06590	1.8
71.03251	2.6
72.08161	1.7
74.02443	4.0
74.06087	2.5
75.04476	5.2
76.81764	1.1
79.05504	21.2
80.05026	32.0
81.03429	2.3
81.07071	7.9
86.09728	6.4
89.06035	1.1
89.53271	1.2
91.05485	17.7
93.07054	100.0
95.04993	3.9
95.08627	4.1
98.06066	19.4
98.97593	6.8
99.04468	1.7
105.04542	2.2
105.07050	10.3
107.04973	1.4
107.08607	13.4
109.65622	1.5
111.08092	3.5
114.05540	16.4
116.06343	1.6
116.07092	8.2
116.98603	1.5
117.05485	3.1
119.08597	2.9
121.06535	1.9
121.10156	78.7
123.08067	2.2
126.05524	29.7
126.06407	2.1
126.36020	1.0
129.06946	1.3
129.68898	1.0
129.87119	1.2
131.08582	7.9
133.07587	1.2
134.08147	5.0
139.11209	3.2
144.06573	61.9
147.04433	1.9
149.09637	15.9
158.99667	2.5
162.07635	32.1
166.12289	2.0
167.10674	1.7
173.01259	2.3
177.00720	1.5
180.08684	11.8
187.14436	6.4
215.13930	2.1
244.99786	2.4
269.09778	1.4
310.16519	32.1
310.20120	1.7
328.17566	35.7
342.21210	1.0
345.11948	1.1
346.18652	9.1
358.22922	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
54.29071	1.8
55.01862	4.3
55.05519	2.1
57.03436	5.3
58.06613	3.4
61.02936	10.3
67.05527	2.0
69.03435	20.9
70.06574	2.1
70.69606	3.8
71.04999	3.2
73.02924	2.2
81.03429	10.3
85.02916	100.0
86.09718	16.9
91.03959	5.5
91.05494	2.1
97.02908	35.3
99.04447	4.6
105.03367	2.4
105.07012	2.0
107.04967	71.6
109.02886	9.9
119.08633	2.3
121.06520	3.7
127.03961	19.9
127.55936	1.9
133.08934	1.9
145.04970	46.4
147.08040	2.3
149.06013	27.3
163.06056	8.5
167.07097	15.3
173.05914	4.6
180.08694	24.5
184.09708	5.1
199.18158	4.3
207.10234	12.3
215.07068	8.8
227.17592	2.8
233.00793	1.9
233.08167	9.8
275.09232	4.2
277.70813	2.2
297.03210	2.2
328.12262	4.5
328.15744	2.1
346.15485	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01852	2.7
55.05270	1.6
55.05516	23.6
55.99458	1.0
57.03453	5.2
57.07086	9.7
59.04990	2.9
64.92146	1.1
65.03957	1.1
67.05183	2.1
67.05514	31.8
67.68205	1.2
69.03436	3.1
69.07074	51.9
70.06598	1.3
71.05000	5.3
71.08634	3.3
71.28846	1.2
71.29168	1.1
79.05499	16.2
81.03416	1.1
81.07064	100.0
83.04963	2.6
83.08627	21.6
85.02915	1.2
85.06561	8.6
91.05487	7.2
93.06486	1.8
93.07053	28.4
95.04952	2.7
95.08617	67.6
97.06541	11.6
97.10181	11.2
99.08112	5.2
105.07047	14.2
107.08602	27.9
109.06511	2.3
109.10166	35.2
111.04440	1.9
111.08080	14.2
111.11723	10.7
113.09628	1.8
119.08577	10.1
121.10159	20.9
122.03683	1.3
123.08072	3.5
123.11723	28.8
125.09621	2.6
125.13293	2.1
127.11143	2.2
129.05467	1.2
129.06966	1.0
131.04927	1.7
133.10121	5.8
133.70047	1.1
135.04425	1.2
135.11699	17.7
137.05983	9.7
137.09647	2.4
137.12198	1.3
137.13268	25.8
139.11182	4.3
141.12785	1.4
145.10098	2.5
147.11711	8.8
149.13268	14.7
151.07512	1.6
151.11226	2.1
151.14822	3.6
153.12770	10.1
154.90366	1.1
155.14333	10.5
157.09996	1.4
161.05960	1.9
161.13284	7.0
163.14807	5.5
165.05528	2.6
165.06834	1.3
165.09169	2.0
165.12747	6.2
165.16473	1.4
167.06950	1.1
167.14366	3.9
171.13828	2.6
174.48180	1.1
175.14832	4.5
177.16377	5.1
179.14363	1.8
183.06537	9.9
189.16403	1.5
191.07050	1.9
191.10762	1.3
191.17961	3.9
203.18044	1.9
205.19518	2.0
217.19539	6.7
235.20593	5.4
253.21613	2.9
261.25751	1.6
273.25735	5.3
279.26804	5.3
291.26892	12.9
302.17355	1.3
309.24548	2.1
309.27899	7.9
309.94870	1.2
313.10593	2.2
327.25394	14.7
327.29019	1.9
345.05939	1.2
345.09747	2.5
345.13388	4.6
345.26465	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	346.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01873	3.2
55.05507	2.1
56.05041	4.0
57.03435	1.5
58.06589	5.1
58.99598	6.4
60.04533	21.9
67.05508	6.6
69.03439	5.6
69.07093	1.3
70.06601	8.6
70.77190	2.8
71.05006	1.9
71.74420	1.1
72.04504	1.5
72.08170	6.0
73.01145	3.8
74.00658	4.1
76.02223	6.8
79.05508	7.8
81.03414	1.5
81.05824	1.7
81.07076	6.4
81.13908	1.2
82.06585	6.5
83.04997	7.9
84.04526	1.5
84.08150	2.4
85.01136	2.5
85.02904	3.5
86.00629	1.4
86.09709	6.0
86.99054	4.2
88.04001	3.9
91.05487	15.9
93.07058	9.8
94.06582	3.3
95.04970	9.5
95.08627	5.6
97.01122	3.7
97.02916	1.2
97.06502	2.4
99.02688	3.1
102.03759	3.4
105.00102	5.3
105.03401	11.5
105.07044	15.0
106.06598	1.4
107.04965	6.3
107.07332	1.2
107.08613	2.5
109.06525	7.3
109.10113	1.9
110.07210	1.4
112.02229	1.5
114.03761	5.7
116.05358	1.1
117.07011	3.7
119.04993	1.6
119.08595	21.9
120.01186	5.8
120.08082	2.6
120.27081	1.1
121.06519	9.8
121.10163	3.0
122.02744	20.9
123.02666	4.9
123.04433	14.8
123.08077	11.8
124.98285	1.1
125.02362	2.2
125.04205	2.6
125.06021	2.1
126.03773	1.5
128.05359	5.8
129.06987	2.8
131.08578	37.3
132.01152	4.3
133.06523	2.5
133.10162	5.6
135.02661	1.9
137.04253	1.7
137.06015	3.1
137.09654	3.1
140.05310	14.1
143.08583	5.2
145.03201	3.8
145.06387	2.5
145.10143	2.4
146.09641	3.6
147.04472	1.3
147.08067	27.8
147.31819	1.1
149.05983	1.8
149.09651	4.5
151.05751	1.9
151.07581	3.1
153.03709	11.8
153.05495	1.7
154.08603	1.5
155.07036	3.0
160.04306	4.0
161.09662	10.1
163.07486	2.1
163.11211	2.7
164.10745	3.0
165.09132	39.1
167.06975	1.5
167.10680	1.5
174.05876	6.0
175.05885	2.6
178.06841	2.6
179.05301	7.8
179.06702	1.4
179.10681	4.9
184.09714	3.0
186.05852	24.7
187.10880	1.9
189.09134	7.1
190.08635	2.3
195.04756	1.2
197.06343	1.9
206.11858	1.4
207.10193	33.1
209.11806	1.5
221.06384	2.2
222.09500	2.0
224.07513	1.9
224.12845	3.0
225.11253	29.1
225.14772	1.5
238.08946	2.7
239.07367	1.9
250.09004	4.3
256.09991	3.3
257.08435	4.0
268.10034	2.2
270.07947	1.3
282.11722	8.2
284.09604	5.9
285.07819	2.1
300.12656	3.3
310.11063	14.9
328.12146	100.0
328.24808	2.9
346.13184	42.3
346.19534	3.5
346.25900	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.9
55.05511	15.0
56.96578	2.6
57.07075	6.1
60.04530	5.2
60.91219	2.7
63.13285	3.0
67.05511	25.5
69.03418	4.5
69.07082	55.5
69.16418	27.3
71.05003	6.1
71.08628	5.7
79.05497	18.4
81.03446	3.6
81.06592	5.3
81.07066	96.1
83.08636	14.8
84.08132	16.1
85.06551	5.9
85.10149	3.6
91.05474	7.1
93.07051	33.0
95.04916	3.5
95.08617	100.0
97.06539	12.2
97.10175	12.6
98.20735	7.0
98.97601	6.5
99.08099	16.5
105.07040	10.5
107.08628	21.8
109.06548	2.8
109.10166	91.6
111.04472	5.2
111.08075	5.4
111.11723	11.8
118.06264	3.5
119.08582	6.6
121.10175	25.2
123.04491	15.2
123.11732	30.4
131.04907	3.3
133.10150	3.7
135.04408	4.1
135.11705	26.8
137.05988	31.6
137.13292	11.4
139.03941	6.3
139.11089	3.7
139.46204	3.2
144.89557	3.2
147.04378	7.4
147.11678	3.6
149.13278	44.7
151.03926	10.3
161.05988	5.5
163.14848	7.6
165.05547	9.6
165.16443	3.7
167.14406	4.2
173.01259	4.3
176.10828	4.9
183.06593	17.7
191.07037	3.3
193.08598	7.6
205.19562	46.4
223.20602	33.5
252.89636	3.7
273.25735	4.6
291.26938	16.2
301.06873	3.0
302.17511	10.4
303.08844	4.0
329.06573	3.2
330.07474	4.4
345.09631	14.3
345.13464	19.5
345.16980	5.1
345.24478	3.6
346.20200	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	345.2791
Annotation	5-(8Z,11Z-Heptadecadienyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
53.03934	1.2
53.31252	0.9
53.34906	0.9
54.08337	0.9
55.05520	12.6
57.07073	1.3
61.46585	1.1
65.03925	1.0
67.05512	15.8
69.03413	1.1
69.07072	22.0
69.93095	0.9
71.08602	1.3
75.95548	0.8
79.05497	11.4
81.07065	20.6
83.04951	1.3
83.08632	4.8
85.06570	1.3
88.07607	1.0
91.04913	1.0
91.05488	20.0
93.07054	16.6
94.10771	0.9
95.08620	26.4
97.10180	2.9
103.70456	0.9
105.07043	30.9
107.08612	15.7
109.10175	10.9
117.07056	5.6
119.08591	35.5
121.06540	1.0
121.10159	8.8
123.08092	0.9
123.11736	5.0
125.09630	1.4
129.07013	1.2
131.08592	6.9
132.09309	0.9
133.10144	28.4
135.11658	4.4
137.13246	3.2
145.10146	8.1
147.11708	20.5
149.13286	3.0
159.11711	6.6
161.13272	10.2
161.96031	0.9
163.14865	1.2
167.10626	1.1
171.11761	1.7
171.22539	0.9
173.13292	3.3
175.14774	5.7
183.11678	1.2
187.14865	1.6
189.16403	4.4
197.13284	1.3
199.14879	1.0
203.17944	3.3
210.64482	0.9
211.14847	1.5
217.19525	1.0
235.16870	2.3
237.18520	1.9
239.17696	1.0
247.16966	0.9
249.18607	1.4
257.19238	1.1
261.18683	1.1
263.19946	1.3
271.20483	1.9
275.20016	2.6
277.21585	1.2
284.29428	1.2
285.22226	3.5
289.21674	4.0
301.07071	2.0
303.23300	4.3
327.26920	1.9
330.07278	1.5
345.09628	6.3
345.27921	100.0
346.28159	2.6
346.33130	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	345.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85375	1.5
55.05510	2.6
57.07062	6.2
67.05508	3.4
69.07056	5.3
70.17872	5.6
79.05492	3.7
81.07066	49.4
89.03918	4.3
91.05471	2.2
93.07040	1.8
95.08609	37.9
105.07062	2.1
107.49606	1.4
109.10155	2.9
117.03386	13.6
121.06509	5.4
133.06519	1.7
135.04428	6.4
137.05960	1.8
137.13261	31.2
145.02863	29.3
145.06357	1.5
146.03647	2.5
148.05212	4.4
149.05972	5.3
161.06030	8.8
167.07053	2.2
169.06577	1.6
174.03127	2.5
174.50522	1.4
177.05498	70.4
181.01254	4.3
186.05481	1.9
189.05513	5.5
189.09178	2.4
201.09111	1.7
209.08102	4.9
217.08603	2.5
221.08197	4.3
229.08664	2.4
229.12242	3.3
261.11447	1.7
285.18579	7.2
287.05530	3.1
301.07050	25.2
301.10162	1.9
313.07175	4.8
313.18011	59.2
316.05777	6.1
329.06580	17.8
330.07349	21.6
330.62280	1.5
345.06390	4.8
345.09738	100.0
345.20624	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	345.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	2.8
57.07076	4.8
67.05500	6.2
68.74461	1.5
69.07080	8.4
70.58927	4.4
72.08131	2.4
75.05383	1.5
79.05484	6.4
81.07056	20.3
91.05481	7.3
93.07060	14.0
95.04922	2.5
95.08605	12.7
105.07052	19.0
107.05001	9.2
107.08604	11.7
109.06539	3.1
109.10172	4.1
110.51170	1.5
115.05452	5.5
117.07028	7.2
119.08575	5.5
121.06495	6.1
121.10142	7.8
123.04440	5.5
123.11702	7.2
129.06982	2.1
130.04121	2.6
131.04962	2.5
131.08556	7.0
133.06512	9.2
133.10083	4.3
135.04424	11.9
135.08026	1.9
135.11723	4.1
137.05997	2.1
137.09602	1.9
137.13216	3.5
145.06499	11.0
145.10124	3.5
146.70604	1.8
147.11700	1.9
148.05217	5.2
152.04703	2.8
153.05510	9.6
153.12758	1.7
155.06085	3.0
157.06436	2.3
159.08093	2.8
161.06007	9.7
163.14825	3.5
167.07057	100.0
173.06056	8.8
173.13260	5.2
175.07463	4.1
176.04649	2.4
181.08609	3.1
181.10237	2.2
183.08034	2.2
191.05606	1.9
191.07024	8.9
191.10658	1.8
191.14388	10.1
193.08647	32.7
197.09607	2.1
197.11649	3.0
205.08577	5.1
209.11755	68.5
217.08594	5.2
219.10178	3.0
273.07596	1.7
278.26334	1.7
295.17007	3.2
301.07141	20.2
313.07150	2.9
313.17908	2.0
316.05804	4.9
327.19543	11.9
329.06595	19.1
330.07349	20.0
345.06223	5.3
345.09729	86.8
345.20554	19.3
345.24304	27.4
345.28201	3.8
347.63556	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	345.2063
Annotation	Hyperguinone B
Peak:m/z	Relative Intensity
55.05514	23.7
56.24178	4.3
65.03968	6.9
65.11777	4.6
67.05511	47.5
67.35477	4.0
69.07066	17.7
70.13245	13.9
79.05505	35.8
81.07060	58.6
83.04955	5.6
83.08626	8.7
83.15329	5.0
91.05495	51.3
93.07054	88.1
93.52357	4.7
95.04961	9.7
95.08609	32.8
95.19760	5.3
95.52445	4.9
97.06537	14.9
102.62832	5.4
105.07042	38.7
107.04946	21.8
107.08609	100.0
109.10175	43.2
115.05428	8.4
117.07013	12.8
119.08595	18.4
121.06511	7.4
121.10168	18.7
123.04446	6.4
125.09647	7.0
129.07016	14.4
131.08583	18.0
133.06502	7.2
133.10170	11.9
133.57726	4.8
135.11702	50.5
137.05995	11.3
141.07019	9.7
143.08624	9.5
144.05753	6.3
145.06493	14.0
145.10153	10.1
147.04330	4.7
147.08093	8.1
147.11665	6.4
151.07573	7.1
153.07062	6.4
155.08557	5.4
157.06522	13.7
157.10155	5.1
158.07329	5.7
159.08080	19.3
159.11700	5.1
161.05980	19.5
161.13260	4.9
162.06772	5.2
165.05537	6.9
165.07045	9.8
167.07069	82.7
169.07649	5.2
169.10027	6.0
170.07303	7.7
171.08052	15.8
173.06030	11.4
173.13261	8.2
175.07576	15.8
179.08621	5.3
181.06512	6.3
181.08618	20.0
181.10048	6.4
182.07379	4.9
183.06644	9.0
183.08086	13.5
184.08844	5.4
185.09679	12.0
187.07622	23.8
187.09036	4.5
191.06998	6.1
193.08603	22.1
193.10205	11.7
195.08086	9.8
195.11707	5.5
196.08937	9.2
197.09651	12.4
199.11104	6.1
201.09082	9.2
201.56544	4.5
203.10727	6.0
205.08575	28.2
207.10211	17.9
209.09723	6.8
211.07497	9.6
211.11209	10.8
212.08250	4.7
213.09132	8.4
217.08585	11.1
218.09445	5.1
219.10156	38.8
221.11818	7.8
223.09570	6.0
225.12752	7.8
226.09903	5.1
227.10707	14.0
231.10071	26.4
233.11786	14.4
237.09238	6.3
238.99911	4.9
239.10695	13.1
241.12216	5.3
243.10089	11.9
245.11716	15.2
247.13362	11.8
253.12260	16.7
255.13823	13.5
257.11734	18.0
258.12283	6.7
259.13382	15.0
267.17432	14.5
269.11520	6.1
271.13330	23.9
272.14127	5.1
285.14920	30.2
287.16422	38.8
289.14267	9.4
295.16898	35.8
301.06985	11.3
313.18008	9.0
314.04257	7.3
315.19592	11.0
327.19565	61.4
329.06577	14.7
330.07391	23.9
345.09671	78.2
345.20627	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.7
53.03945	5.0
55.05516	6.7
57.07069	2.0
61.08380	1.0
65.03952	1.8
67.05506	11.6
69.07068	6.7
71.30520	2.2
77.03931	1.8
78.04689	2.1
79.05497	18.5
81.07066	11.1
85.02907	1.3
91.05485	32.8
93.03413	1.5
93.07050	100.0
94.07899	1.0
95.04955	4.9
95.08614	7.0
103.05428	1.6
105.07041	20.1
105.83468	1.1
106.04183	3.9
107.04950	4.7
107.08604	84.7
109.06506	3.5
109.10168	11.6
110.56371	1.0
115.05462	4.6
117.07024	3.5
119.04929	2.1
119.06087	2.3
119.08581	6.5
121.06494	4.1
121.10144	5.1
123.04429	3.0
124.05160	1.4
128.06216	1.3
129.07022	3.0
131.04951	2.2
131.08571	7.0
133.06488	8.2
133.10138	6.0
135.08037	1.4
135.11702	61.7
137.05962	1.7
141.06989	2.2
143.04927	1.4
143.08517	1.6
144.05708	2.1
145.06465	2.2
145.10132	2.0
147.11687	2.9
149.05974	4.7
151.03929	1.8
153.07121	1.2
157.06555	2.0
158.10873	1.9
159.08076	3.5
161.05980	17.1
161.09595	1.2
165.05475	3.2
165.06924	1.5
167.07057	56.1
167.08432	2.4
173.05995	2.3
173.13324	7.5
175.07529	4.1
177.05455	2.3
178.06215	1.7
178.07675	1.5
179.08464	1.8
180.07808	3.9
181.06366	2.7
181.08684	6.3
181.10106	1.9
182.07239	1.7
183.07976	2.1
183.11647	1.7
187.07591	2.0
189.09024	2.0
191.07092	1.4
191.14320	2.5
192.07784	1.4
193.08636	11.7
193.10185	2.4
195.08044	2.1
196.07230	1.5
196.08862	3.6
197.09647	2.2
199.07660	1.3
201.09073	2.1
203.10622	1.5
205.08614	10.2
207.10176	6.7
209.08064	5.5
209.09818	1.9
211.09497	2.8
211.11215	4.5
213.09064	1.7
217.08656	3.7
219.10202	6.7
221.08055	2.1
221.11682	2.3
223.07660	1.4
223.09653	4.1
224.08440	1.4
225.09154	2.1
225.12859	1.6
227.10645	2.3
231.10138	3.5
233.11707	3.3
235.13156	2.0
239.10681	4.8
245.11678	2.5
251.12608	1.3
251.36171	1.4
253.12312	1.6
257.09058	1.1
257.11749	4.1
258.12494	2.1
259.13315	2.5
261.14514	1.3
271.13300	11.1
285.15015	1.6
289.14307	4.0
295.16989	3.8
313.17892	2.8
327.19583	14.6
330.03757	1.5
345.06430	5.2
345.09647	5.3
345.16782	1.7
345.20615	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	345.1699
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
55.05505	1.4
55.23742	0.4
65.03944	0.6
67.05493	1.6
69.07065	1.0
76.18644	0.5
79.05490	0.8
81.07085	2.4
91.05495	6.3
93.07047	1.6
95.08620	1.3
97.06525	2.4
97.10156	0.6
105.07023	1.9
107.08604	2.1
109.06521	0.6
109.10136	1.3
115.05405	0.5
117.07017	0.6
119.04993	2.6
119.05672	0.5
121.06556	0.6
121.10124	1.9
123.11713	0.8
125.09629	1.2
127.03954	0.6
128.06262	0.8
129.06998	0.6
131.04916	0.9
133.06505	1.4
133.10129	2.0
135.04431	1.5
139.11189	6.5
145.06458	0.7
147.04439	13.9
151.03897	1.0
151.11205	1.8
159.04431	7.7
163.03896	3.0
173.06012	2.2
175.03923	100.0
176.04213	0.9
187.03949	2.0
187.07574	2.1
189.05478	10.3
199.03944	0.6
201.05472	4.3
203.07089	1.7
213.05411	1.0
215.07043	31.2
217.04990	0.9
217.08650	1.9
229.08725	1.2
231.06566	1.0
263.25540	0.5
271.13324	1.0
285.14935	1.0
295.13287	6.6
301.07053	2.0
313.14365	56.1
314.14890	1.0
329.06662	1.7
330.07333	1.8
345.06030	2.9
345.09750	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	345.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.8
55.01876	1.0
55.05516	66.1
57.03436	1.0
57.07087	3.5
58.06610	8.7
59.04995	2.1
59.06943	1.8
60.04508	1.5
61.02925	0.9
67.05500	2.1
69.03435	36.6
69.07072	25.5
70.06583	1.8
71.04998	7.5
71.08627	0.8
71.53316	1.1
72.08153	4.2
73.06553	1.1
73.08483	0.8
79.05506	2.0
81.03423	19.0
81.07056	2.6
83.04974	1.6
83.08634	0.8
83.94179	0.7
84.08169	1.0
85.02915	10.2
86.09710	6.3
87.00845	2.9
87.10043	1.6
91.05493	2.6
93.07044	2.2
95.04990	1.2
95.08595	3.7
95.31848	0.7
97.02926	4.6
97.10178	100.0
99.04460	18.7
99.05119	1.1
100.11246	1.4
103.05499	0.8
105.01881	1.0
107.04983	2.0
107.08620	0.9
109.02889	8.8
109.06504	1.3
109.10168	4.1
111.04446	6.3
115.05465	1.0
115.11224	6.1
119.08598	1.1
120.08137	1.2
121.02924	0.8
121.06518	0.9
121.10168	1.3
122.03696	0.8
123.04465	1.5
127.03927	22.2
127.04823	1.4
131.04890	0.9
137.02386	2.0
137.05954	5.5
137.09636	3.1
138.06351	1.8
139.07588	0.9
143.03415	4.0
143.04941	1.0
143.10690	10.6
144.05310	1.6
145.04987	2.4
147.08081	0.7
151.03981	1.9
151.07512	1.1
152.07916	1.0
155.10635	1.9
165.09142	5.3
171.02922	0.9
175.07744	1.3
176.07954	1.2
177.05537	0.8
180.80504	0.6
181.04991	1.3
183.10168	1.2
185.16541	2.0
186.16862	1.9
187.06067	2.6
189.04015	3.1
193.10542	1.4
201.11285	1.2
203.05513	2.1
206.11823	1.0
207.12090	1.4
213.03952	20.6
213.05957	1.2
214.16273	1.2
223.13292	1.3
231.05022	18.5
239.80298	0.7
241.14319	1.4
253.04982	0.9
254.05859	1.8
268.09604	1.4
269.08127	5.0
274.04575	0.8
300.12201	1.5
302.04251	1.0
313.10773	0.8
316.05756	0.9
327.14374	7.5
345.06107	16.1
345.09723	1.8
345.15009	1.6
345.18787	20.3
345.31403	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01878	0.8
55.05268	1.3
55.05517	16.5
55.67387	0.8
58.99593	4.7
61.01159	1.4
63.87267	0.7
67.05498	1.3
68.05035	0.9
68.99799	1.2
69.03439	1.3
69.07044	0.8
70.06593	2.7
70.13656	0.6
70.64851	0.8
70.65178	1.2
71.06928	0.7
74.99373	0.7
74.99819	0.7
76.04005	1.3
79.05513	1.0
80.05022	13.9
80.33723	0.8
81.03418	1.5
81.07056	3.3
83.08627	11.0
84.04507	3.2
84.08147	1.1
85.02893	2.5
86.06068	1.7
86.09671	0.9
86.99059	3.2
88.02213	0.9
91.05482	1.0
93.03407	0.6
93.07075	1.3
95.08631	1.3
96.04529	0.8
97.01182	0.7
97.02921	0.8
99.02675	0.8
105.07034	1.6
107.08584	2.3
108.04499	3.8
109.10127	0.9
114.03765	15.0
116.01696	15.4
121.02888	1.8
121.10146	0.8
123.04436	2.4
136.03937	2.9
137.02356	13.0
137.05983	3.8
139.05737	1.0
141.07074	1.0
142.03236	100.0
144.01160	5.2
149.02347	1.5
151.03993	1.0
153.01830	0.9
153.25114	0.7
159.08397	10.7
161.02377	1.8
162.02216	20.9
165.05524	3.5
165.06734	0.7
165.12840	0.9
167.03389	1.6
167.05336	0.9
170.02725	35.9
170.11725	1.8
171.08199	0.8
171.12105	2.8
174.85176	0.7
177.02002	1.1
183.06563	14.4
188.03831	1.0
195.02940	1.9
197.05988	1.0
199.05396	5.1
211.07274	1.7
225.05527	0.8
227.04979	6.2
242.12154	4.1
243.06720	1.0
245.05942	25.1
252.10435	1.2
253.04765	1.1
257.04871	0.7
262.11099	8.3
270.05142	1.7
270.11627	2.7
271.06003	1.5
274.04575	0.8
295.09763	0.9
298.04657	0.9
299.05536	7.6
301.03482	1.9
302.04205	4.5
315.04980	4.2
316.05746	5.2
327.04993	2.5
327.13513	1.1
345.06073	74.8
345.14664	3.2
346.06479	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75186	0.6
53.03938	0.6
55.05517	17.9
55.82481	0.5
57.03422	0.7
58.44423	0.6
58.99596	5.0
60.04528	1.0
61.01151	1.0
67.05499	0.9
68.05013	1.3
68.99792	0.9
69.03443	1.1
69.07082	0.8
70.06590	1.9
70.47945	1.7
71.05004	0.8
72.08154	1.4
73.01161	0.8
76.04008	1.4
80.05028	13.6
81.03438	1.2
81.07051	2.7
83.08630	11.0
84.04510	3.0
84.08131	0.6
85.02879	0.8
86.06061	1.2
86.09721	0.6
86.99067	3.7
88.02220	0.7
91.05482	1.2
93.07051	0.9
95.08611	1.0
96.04494	2.0
97.01128	0.7
97.02918	0.6
97.06558	0.6
105.07032	1.3
107.04978	0.7
107.08611	0.8
108.04491	3.1
109.06487	0.9
109.10150	0.8
111.04448	0.7
114.03763	15.3
115.05421	0.9
116.01696	14.8
119.08674	0.9
123.04408	0.8
123.39227	0.5
127.03925	0.6
131.04936	0.8
133.10098	0.6
136.03935	1.6
137.05991	7.2
139.05766	1.8
141.05525	0.9
142.03233	100.0
143.03636	0.6
144.01170	4.6
144.04762	0.8
151.03860	2.7
153.01750	0.5
156.43214	0.5
159.08420	7.4
162.02217	18.0
165.05515	7.4
170.02725	34.5
170.11763	1.2
171.12074	2.1
175.07596	1.3
178.49869	0.5
183.06544	20.2
191.07074	1.8
192.03658	0.7
192.10251	0.7
193.03961	1.0
199.05399	5.4
203.07132	0.8
213.08728	0.6
221.07968	1.1
227.04869	6.5
239.08202	0.9
240.10635	0.6
242.12160	3.0
245.05936	25.7
245.12930	1.5
253.09869	0.9
262.11157	5.9
270.11557	2.1
274.21680	0.8
299.10068	0.9
309.08698	0.7
313.60739	0.6
327.05374	1.0
327.09644	1.9
327.13235	0.9
327.17941	0.6
345.05368	0.7
345.09949	2.5
345.14499	2.2
345.18173	1.0
345.29269	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1183
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
52.85900	0.2
53.03946	0.3
57.03419	0.5
58.96501	0.2
59.04918	0.2
67.05492	0.5
68.99793	1.7
69.03435	1.0
69.76659	0.5
69.77074	0.5
79.05480	0.8
81.03431	1.7
81.07059	1.6
81.28831	0.2
85.02920	0.5
91.05484	1.6
93.63172	0.2
94.04163	0.3
95.04983	1.5
97.06506	0.3
97.43542	0.2
98.21397	0.4
98.49001	0.2
100.36729	0.2
101.89047	0.2
102.21092	0.2
107.04954	0.6
109.06538	2.9
119.04951	2.5
123.04449	1.6
135.04449	0.3
137.05988	18.1
141.05467	2.6
147.04454	0.5
150.03143	0.6
151.87869	0.2
159.93776	0.2
165.05487	32.7
176.53661	0.2
180.36938	0.2
183.06546	100.0
184.06882	0.7
218.95975	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.5
55.05511	2.2
56.05035	3.4
56.96570	28.0
57.03441	7.4
60.04538	2.6
60.05649	3.4
61.02647	1.8
61.02927	12.7
69.03437	32.6
70.06599	34.6
70.32114	4.6
71.04991	3.8
72.08162	16.2
73.02605	1.8
73.02927	17.4
79.05495	2.2
81.03423	7.2
82.15635	2.2
83.04959	2.7
84.04510	3.8
84.08153	56.1
84.96050	5.3
85.02915	50.9
85.08437	1.9
86.03261	2.4
86.09709	17.0
86.99064	1.9
87.04458	5.4
89.03886	3.4
91.03960	5.4
91.72313	1.7
97.02897	24.9
97.99152	1.6
98.06055	1.6
98.97592	63.3
99.04470	5.6
100.99207	2.2
101.00893	4.6
109.02901	6.3
110.07236	2.0
110.97557	12.7
111.02925	2.2
112.08730	5.6
112.99162	2.5
116.07085	10.0
116.98644	21.0
119.01888	7.4
119.04917	2.9
122.07162	9.3
124.99150	5.3
127.03912	20.8
128.98625	14.7
129.10272	8.9
130.08636	19.4
130.93312	13.3
131.00139	3.6
131.01950	4.0
133.06328	1.7
134.99702	6.8
135.04443	4.7
136.07594	4.9
137.05995	2.1
140.98608	2.7
143.00208	9.4
143.01936	7.4
143.99199	2.4
145.01788	3.6
145.03453	3.0
145.05031	10.1
146.99654	7.2
147.04413	5.7
148.03885	5.4
148.07623	2.2
148.94363	2.9
149.02936	2.3
152.98616	2.5
152.99666	4.1
153.04031	6.4
153.07002	3.7
154.01788	2.1
154.93288	6.6
155.01952	11.7
155.98276	1.9
156.03360	2.1
157.03487	3.1
158.92816	3.2
158.99673	15.9
161.01237	5.6
161.02934	8.0
162.99098	2.2
163.03909	19.3
165.00809	2.3
165.05643	3.6
165.07039	10.1
166.04985	16.1
166.08696	3.2
167.02061	2.1
167.08585	34.7
168.00192	3.8
169.03413	2.2
170.99644	6.0
171.08038	7.4
172.02841	2.5
172.94395	26.5
173.02910	12.2
174.04492	6.8
174.55251	10.1
174.97748	2.3
175.11882	4.1
177.00815	9.2
177.07008	19.9
178.07762	13.1
179.08556	8.1
181.06541	4.8
181.10156	3.1
182.03285	3.9
183.05124	8.8
183.07936	6.1
183.55742	2.7
184.06125	8.8
185.01440	3.5
185.02885	10.1
186.04407	3.2
186.95853	2.3
187.04797	3.9
187.06462	3.6
189.00739	8.2
190.03894	4.3
190.07870	4.6
190.95433	14.3
191.03925	5.1
191.08572	38.2
192.96931	2.2
193.10223	10.5
194.07190	3.1
194.09738	2.7
195.08081	33.5
197.09650	3.7
198.95955	3.0
199.07591	6.8
200.04424	3.9
201.00764	12.6
202.07851	6.7
203.02379	2.9
203.04083	8.9
203.08641	9.1
204.01332	2.0
204.05475	4.0
204.97025	3.5
205.00238	3.4
206.07317	2.1
207.08014	6.5
208.04924	6.3
208.08882	8.6
208.55101	3.3
208.96474	2.9
209.09639	5.7
210.01167	2.4
212.10658	11.2
214.03925	6.3
214.95427	8.3
216.05449	2.9
216.96954	19.5
217.05537	3.0
218.07356	2.3
219.01859	21.3
219.05862	4.1
219.08044	45.0
220.08763	3.3
221.09651	20.3
222.09135	2.5
223.07552	20.1
225.09103	8.9
227.06960	10.6
228.05484	5.4
229.07683	4.0
230.98582	3.8
231.01720	3.2
231.09117	3.9
232.05048	3.6
232.96478	14.1
234.06624	16.4
234.56825	3.0
234.98026	4.6
236.08357	3.6
236.10719	54.6
237.02838	8.8
237.09154	7.6
238.12305	34.2
240.02325	3.2
240.10201	51.0
241.08621	7.1
242.94966	5.4
243.01979	16.5
244.96544	4.0
245.05151	14.0
245.07385	2.4
246.06581	3.0
246.98207	4.9
247.07593	4.7
248.95912	4.7
248.99445	2.3
251.07059	8.7
253.13412	36.2
254.11758	28.8
255.02003	7.6
255.07109	8.1
255.57841	9.1
257.05188	2.2
258.98138	2.1
259.08545	2.4
260.95972	13.5
261.02911	10.1
263.05972	3.7
264.01535	5.5
264.07648	25.1
264.10245	4.1
264.57925	6.3
265.08615	35.2
267.10168	5.0
269.08060	14.8
273.03140	4.7
274.97452	4.2
277.09708	5.3
278.97040	5.4
282.11276	83.0
284.12823	2.2
286.10803	6.0
291.04160	2.5
299.13922	65.9
300.12280	20.6
301.06519	2.8
302.97015	10.9
305.07053	3.7
310.10730	2.6
311.09204	14.2
319.06598	2.3
320.98096	15.6
328.11819	100.0
329.06747	3.4
344.98212	5.1
345.05588	3.5
345.10657	12.3
345.14432	45.1
345.22308	24.5
346.08624	2.4
346.15179	3.7
347.08240	5.4
362.95215	2.6
362.99258	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1157
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
58.06608	31.3
59.06316	0.7
59.06697	0.7
59.06945	8.7
60.07268	0.7
67.05492	0.7
69.67371	2.6
72.08160	0.5
79.01274	0.4
79.05468	0.4
81.07040	1.2
85.02921	0.5
91.05481	1.0
93.07055	1.4
95.08585	0.6
98.21484	0.9
101.21307	0.5
101.46755	0.5
119.04961	0.5
119.08592	0.8
121.36287	0.4
123.04421	1.3
128.07071	0.5
137.05991	4.3
138.06306	2.1
143.04990	1.0
144.05305	0.9
145.06381	0.4
151.07466	0.8
165.09131	0.9
175.07556	0.7
176.07854	1.2
192.08864	1.1
193.09213	0.7
208.08382	1.0
210.09842	0.5
220.08569	1.0
221.08665	0.6
223.06989	0.7
224.07394	0.6
225.07614	0.8
227.05312	0.7
237.08720	0.5
238.09364	1.1
239.09666	1.1
240.10054	1.6
259.11606	1.4
266.08926	1.2
267.09036	2.8
268.09512	7.6
271.04285	1.2
277.11249	0.8
284.09561	1.2
285.09802	3.2
299.11862	3.1
300.12103	11.1
301.12631	12.4
302.13770	1.4
345.11554	100.0
345.18219	49.3
346.11871	1.1
360.06720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	60.9
59.06300	1.5
59.06937	13.9
69.03432	1.2
69.32870	5.1
70.06584	0.9
79.05484	1.0
81.03456	0.8
81.07047	2.4
84.08112	0.6
85.02885	1.1
91.05475	2.2
93.07035	1.9
95.08619	1.7
99.04446	0.7
105.07038	1.5
107.04966	0.8
107.08568	1.3
109.10139	1.2
111.08064	0.7
115.05452	0.9
116.05817	1.0
119.04894	0.9
119.08593	1.1
123.04449	3.2
123.31293	0.6
127.03933	0.7
128.07018	0.8
133.10086	1.0
137.05983	7.2
138.06337	5.3
141.05559	1.0
143.04924	3.0
144.05266	2.7
145.10101	1.1
149.09546	0.9
151.07523	1.8
165.09114	1.9
166.07465	0.8
175.06171	0.7
175.07552	2.3
176.07861	2.3
192.08835	1.8
193.10667	0.9
202.47495	0.7
208.08235	0.8
211.10138	0.9
222.08910	1.2
223.07036	1.2
224.07655	0.6
225.07721	1.5
237.08255	0.8
238.09363	1.5
239.09743	1.3
240.10059	2.1
243.17479	1.3
245.18973	2.0
250.08691	0.7
259.11517	1.7
265.08496	0.8
266.08932	3.5
267.09149	5.6
268.09470	11.3
270.07446	1.2
271.16879	2.0
284.09433	1.8
285.09680	6.2
289.18002	1.7
299.11945	4.3
300.12076	18.9
301.12549	13.1
302.13779	3.2
317.17505	2.3
345.11517	96.1
345.18246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54212	0.7
53.03924	0.8
53.82671	0.6
55.05490	1.4
58.06607	5.7
60.04521	2.2
61.44655	0.8
62.97885	0.7
67.05489	2.0
69.03416	2.3
70.06582	2.8
71.05005	0.9
71.53293	0.7
72.08155	6.5
79.05477	1.4
81.03413	2.4
81.07046	1.6
84.08135	1.4
85.02899	3.0
86.09698	5.4
89.06039	1.1
90.06342	0.9
91.05464	1.8
93.07037	2.3
95.04971	1.1
95.08592	1.1
97.02874	2.7
99.04462	0.7
105.07011	0.9
106.02908	0.8
107.03246	1.0
107.04956	1.0
107.08632	1.2
109.02879	1.4
109.10165	1.5
110.37423	0.6
119.04913	0.8
119.08596	1.6
121.02876	0.7
121.10141	2.2
122.08321	0.8
123.04413	2.2
124.03925	1.0
125.02202	0.8
127.00054	2.3
127.03906	1.6
129.10231	1.6
135.08070	0.9
137.06007	2.3
137.09631	1.7
137.10742	4.7
138.09138	1.8
141.05452	1.4
144.06526	1.0
147.04391	1.6
147.08020	0.9
148.04755	1.1
149.09622	2.3
151.03889	0.7
160.07576	1.0
165.07861	0.8
165.08980	3.1
165.10255	2.6
178.74062	0.7
183.06384	0.7
183.11365	2.4
219.23145	0.6
225.11343	0.9
241.10420	4.1
259.11594	2.1
271.04382	1.7
284.12756	1.4
301.12585	7.7
328.20566	0.9
345.11569	100.0
345.18750	5.6
346.12030	1.5
353.81558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88898	3.8
53.03961	4.2
55.01847	4.8
56.96568	45.9
57.03441	15.8
60.04529	5.0
61.02924	17.2
67.00752	4.2
67.05513	6.5
69.03440	31.7
70.06602	39.2
71.04992	7.5
71.31565	3.8
71.33663	7.2
72.08164	46.6
73.02925	24.5
81.03413	9.3
84.08156	64.5
84.96040	5.6
85.02439	5.3
85.02917	72.6
86.09718	45.8
87.04469	6.7
87.17859	3.7
89.03912	12.0
91.03970	6.8
91.05460	6.7
95.04987	5.2
96.04544	4.2
97.02919	41.1
98.97591	98.1
99.04447	5.9
102.01513	3.6
109.02895	5.7
110.97580	20.3
112.08756	7.8
115.04009	4.6
116.07092	17.3
116.98636	23.3
117.03408	12.9
119.01845	11.4
121.06577	7.0
122.07130	15.1
124.99175	12.3
127.00764	3.8
127.03937	23.7
128.02327	4.4
128.98650	19.9
129.10245	17.4
130.05035	4.1
130.08644	28.2
130.93324	6.1
133.06154	7.9
134.99725	8.1
135.04420	29.0
136.07581	12.2
137.06020	4.8
140.98631	4.4
141.05522	5.6
142.97104	4.0
143.00189	12.6
143.01955	5.2
144.98193	5.3
145.01785	8.6
145.02884	13.7
145.05002	13.5
146.99658	9.8
150.20541	3.9
153.04027	5.1
155.01851	8.7
156.03322	5.8
157.03493	4.0
158.99673	30.7
159.03285	5.0
161.01320	11.0
161.02887	5.8
161.04700	11.9
162.04475	5.7
163.02573	5.8
163.03922	100.0
164.04205	4.8
166.04964	4.1
167.08583	8.3
170.05203	4.1
170.99686	9.3
172.02829	5.7
172.94360	10.9
173.02945	8.1
173.53510	4.0
173.98373	4.6
174.04434	10.7
174.55222	38.9
177.00740	14.3
177.05574	4.2
182.03424	12.2
182.99725	5.0
183.55688	22.1
184.06055	4.7
185.02959	7.1
185.16527	11.7
186.04395	16.3
187.02759	6.8
187.06453	7.6
189.00723	7.7
190.03888	4.4
190.95448	10.0
191.03903	14.0
191.05765	5.8
191.08614	10.0
195.08109	9.2
200.04448	12.8
200.54721	5.0
201.00786	13.3
203.02229	4.1
203.03990	5.7
204.05495	8.3
207.27415	3.9
210.01143	4.9
213.16048	13.2
216.97021	14.2
218.99937	7.5
219.01768	26.6
219.08087	10.9
221.09700	4.8
225.01913	5.1
225.06187	4.5
228.05603	14.0
231.09137	6.9
232.96498	5.5
234.06615	15.3
234.56647	3.9
236.10730	15.0
237.02783	20.4
238.12254	8.8
240.10193	8.3
242.94965	5.9
243.01825	6.0
245.05019	4.2
246.06450	7.3
253.13429	9.0
254.11800	8.0
254.59196	4.9
255.05981	6.1
255.57947	26.9
260.96051	10.0
261.02933	12.5
264.01596	14.7
264.07712	15.8
264.58435	22.8
265.06021	5.6
265.08563	10.7
269.08105	6.5
273.02380	8.7
277.09769	8.1
279.04047	7.3
282.11304	19.9
299.13950	19.6
300.12292	5.1
302.97064	6.4
316.92273	4.7
320.97992	7.9
321.04932	4.9
328.11771	25.3
335.10110	23.5
345.10532	8.3
345.14407	15.3
345.22314	32.3
353.11160	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	345.0971
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
52.61179	0.3
53.03945	0.5
55.05521	1.7
55.05731	0.3
57.07064	0.4
65.03929	0.6
67.05513	4.3
69.07069	2.1
69.62929	2.1
71.04998	0.4
77.92051	0.3
79.05499	3.5
81.03383	0.4
81.07069	6.4
83.08579	0.4
91.05486	3.8
93.03397	0.5
93.07053	6.9
95.04948	1.1
95.08613	2.9
97.06514	0.4
103.05489	0.8
105.07034	3.5
106.04148	0.6
107.04974	2.5
107.08606	7.7
108.02101	0.3
109.02908	0.7
109.06544	0.7
109.10166	4.1
115.05459	1.4
117.07028	1.2
119.04966	0.4
119.08565	1.5
121.02865	0.5
121.06506	0.6
121.10167	1.6
123.04433	0.6
123.11733	0.6
123.43525	0.3
124.05235	0.4
125.05976	0.4
128.06242	0.5
129.07022	0.6
131.05060	0.4
131.08565	1.4
133.06505	1.7
133.10132	0.8
135.04430	7.9
135.11717	3.3
137.02374	0.6
137.06007	2.6
137.13361	0.3
137.38222	0.3
139.00298	0.6
139.11208	0.5
141.07002	0.8
143.04961	0.5
143.08560	0.8
144.05719	1.1
145.06471	2.0
145.10112	0.6
147.08055	0.7
147.11717	0.5
148.05196	1.2
149.05983	0.9
150.06770	3.2
151.03940	2.2
152.00989	0.4
152.04701	0.5
152.06082	0.4
153.01852	1.2
153.05516	0.3
153.07010	0.8
155.08524	0.8
157.06517	1.7
158.07263	0.7
159.08051	1.3
159.11708	0.6
161.06024	2.4
165.01866	0.6
165.07027	0.6
167.07079	8.4
167.08562	1.1
169.10143	0.7
170.07243	0.5
171.08067	1.0
173.06007	1.0
173.13295	0.5
175.07571	1.2
177.05495	0.7
178.06248	0.6
178.07733	0.5
179.08505	0.9
181.01317	3.2
181.06602	0.5
181.08609	1.5
181.10069	0.6
182.07301	0.5
183.08073	1.5
184.08832	0.4
185.06058	0.6
185.09613	0.9
187.07588	2.5
188.08441	0.4
190.06265	0.4
191.07089	0.6
192.07805	0.4
193.01291	0.6
193.08623	2.1
193.10156	1.1
193.12914	0.3
195.08121	0.9
195.10011	0.4
195.11710	0.4
196.08842	0.8
197.09644	1.2
198.06650	0.5
199.07510	0.9
199.11229	1.0
201.09145	0.9
202.06416	0.6
203.07013	0.5
203.10696	0.5
204.07875	1.0
205.08578	2.4
205.10252	0.4
207.10114	2.2
207.11807	0.5
209.07901	0.5
209.09662	0.7
210.10406	0.7
211.07553	1.1
211.11230	1.4
213.05545	0.4
213.09128	0.8
215.06810	0.3
215.10564	0.7
217.05029	0.4
217.08589	1.9
219.10159	3.8
221.09772	0.7
221.11731	1.0
223.11314	0.7
225.09044	1.0
225.12758	1.4
227.10646	1.0
227.14354	0.5
228.04190	0.7
229.04747	0.6
229.08556	0.4
231.10162	2.6
233.11717	1.8
235.11209	0.4
235.15092	0.5
238.09827	0.7
239.10628	1.3
241.04950	1.0
241.12245	0.6
243.10161	1.0
245.11702	1.9
247.13307	0.8
253.12315	2.7
255.10109	0.5
255.13837	1.8
257.11737	1.6
258.05313	1.0
258.12399	0.5
259.06052	1.0
259.13275	1.1
263.14395	0.6
267.13861	0.4
267.17377	1.4
269.04462	1.8
271.13211	2.3
273.14789	0.4
284.06897	0.9
284.13995	0.7
285.03958	0.9
285.14908	3.4
286.04755	8.5
287.05542	4.6
287.16443	3.5
295.16946	4.0
297.03915	0.8
298.04794	1.3
300.06281	1.3
301.03741	0.9
301.07074	14.6
301.17688	0.5
302.04523	0.7
302.07779	2.7
311.05563	0.8
312.06314	1.2
313.07056	4.1
313.17865	1.0
314.04224	6.0
315.04962	2.5
315.19537	1.1
316.05850	3.0
317.06546	0.8
327.19565	8.3
329.06564	23.4
330.03842	1.8
330.07336	32.5
331.07629	0.5
345.06039	12.0
345.09711	100.0
345.20673	9.6
346.06454	0.9
346.10126	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0608
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
53.03936	0.7
55.42257	0.5
58.06604	0.6
65.03941	0.8
65.81324	0.4
67.05514	1.1
68.99817	0.5
69.03438	0.6
70.06596	0.5
71.04108	1.2
79.05510	0.5
81.03426	0.8
81.07070	1.2
83.04927	0.5
85.02890	0.5
91.05489	0.6
93.07073	1.2
95.04960	0.9
95.08609	1.2
97.02898	0.8
98.97575	0.4
105.03448	0.6
105.04453	0.4
105.07068	0.5
107.05000	0.5
108.02127	0.7
109.02859	0.6
109.06567	0.6
109.10173	1.1
121.02876	1.7
121.10133	0.8
123.04452	0.6
125.02384	2.0
131.04951	1.0
135.04388	0.6
136.01608	0.9
137.02368	5.9
137.05968	2.4
139.03862	0.5
141.05449	0.8
144.05751	0.8
145.06491	0.6
147.04535	0.5
149.02325	1.1
150.03137	0.7
151.03935	15.0
151.05058	2.2
153.01862	8.4
154.02701	0.7
155.04958	0.6
159.04424	0.9
165.01898	0.8
165.09081	1.0
171.02925	1.0
171.04269	0.5
173.06004	0.7
175.03941	0.6
176.04660	0.7
177.05493	0.9
181.01251	0.8
182.02103	0.9
183.04410	0.6
187.03850	0.8
189.84503	0.4
191.03526	0.6
191.07100	1.5
199.03978	0.8
201.05441	2.2
203.03426	0.5
213.05548	0.5
215.03430	0.5
215.07042	0.7
216.04341	0.6
217.05023	0.7
228.04251	1.1
229.05069	2.9
231.02864	1.3
233.08131	0.5
243.03023	0.6
243.06552	1.2
244.03746	0.9
245.04497	1.9
246.05359	0.5
255.02803	0.6
256.03680	0.7
257.04544	1.2
259.02499	1.3
261.07718	1.9
271.06146	0.6
273.04062	2.2
274.04727	4.8
285.03992	1.4
285.11081	0.6
289.07224	0.9
300.02710	2.2
301.03561	1.3
301.07208	1.5
302.04272	3.1
313.10712	1.7
315.05188	1.1
317.06586	5.3
329.06256	0.9
330.03781	15.6
330.07379	1.2
345.06094	100.0
345.09299	4.8
345.13232	2.7
346.06445	1.4
365.45209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0971
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
64.62767	0.3
70.15049	0.3
70.21820	1.2
72.43517	0.3
81.03399	0.3
87.42402	0.4
91.05494	0.9
91.94922	0.3
95.04971	0.4
105.03369	0.6
107.04958	0.7
109.02905	0.4
120.05701	1.2
121.06514	5.3
135.04407	2.8
136.01654	0.4
137.02341	0.4
148.05209	4.4
150.06772	0.6
152.04736	0.5
153.01826	1.1
155.16966	0.4
165.01836	0.8
169.01341	0.4
178.99730	0.3
181.01314	4.7
213.05650	0.6
241.05035	0.9
255.06470	0.6
258.05136	1.1
264.10269	0.4
269.04553	1.9
273.07635	1.1
284.06772	1.7
286.04736	1.7
287.05521	3.2
297.03937	0.6
299.05508	1.4
300.06354	0.9
301.07108	20.9
302.07434	0.4
311.05646	1.6
312.06290	3.0
313.07056	5.2
314.04395	0.5
315.05017	1.7
316.05807	2.9
327.04974	0.5
329.06580	21.1
330.07355	21.4
345.09714	100.0
346.10025	2.1
368.58246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94245	3.2
53.03936	5.3
55.01876	5.3
55.05507	19.7
56.19011	3.3
57.03433	13.9
67.05505	50.0
69.03429	5.1
69.07072	82.5
69.08624	3.0
70.12724	9.3
70.13113	7.7
71.04995	36.0
79.05494	53.6
81.03426	37.6
81.07059	58.0
83.04978	7.7
83.08630	8.0
85.02930	3.5
85.06541	8.2
91.05486	28.5
93.07043	36.7
95.04977	45.9
95.08599	27.3
97.06537	100.0
97.07159	7.2
97.10147	5.9
98.21491	4.9
99.08094	10.3
103.05452	6.6
104.71858	3.2
105.07052	34.1
107.04963	8.7
107.08608	29.2
109.06520	22.3
109.10171	14.3
113.06001	9.8
115.07566	45.0
117.07016	16.2
119.08607	21.0
121.06508	12.4
121.10145	13.3
123.04429	3.6
123.08044	10.4
125.09657	5.0
129.06979	10.6
131.08563	23.5
133.10129	17.4
135.08061	9.5
135.11668	15.7
137.09682	4.3
143.08543	8.6
145.10146	11.4
147.07994	5.7
147.11703	6.4
149.09607	8.4
149.13237	9.1
151.11185	6.1
155.08452	3.5
157.10124	8.0
159.11678	17.5
161.09615	5.2
165.09116	5.2
173.13231	5.8
175.11160	6.5
177.12755	11.7
187.10995	4.2
195.13737	9.2
201.12779	5.4
217.15988	5.1
223.13315	11.9
248.86264	3.3
263.20020	4.6
273.18549	9.8
291.19513	15.0
336.93021	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	345.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.1
56.96549	2.1
57.03429	4.9
61.02930	11.5
69.03082	1.7
69.03429	18.9
70.06558	2.0
71.05010	2.7
71.38122	3.1
73.02913	15.6
81.03397	3.5
84.04504	1.8
85.02903	41.8
91.03974	9.6
94.93005	2.3
97.02898	17.1
99.04443	5.3
100.02634	2.0
101.00877	4.3
101.03514	1.7
109.02870	4.0
110.07153	2.5
111.02941	1.7
112.89612	4.7
115.03902	3.9
119.01911	6.5
123.02941	3.7
127.03921	21.3
129.02905	2.9
131.01886	3.9
133.03439	1.6
138.03456	6.8
143.01910	11.8
145.03441	3.3
145.04968	5.8
147.03970	2.8
153.03960	6.7
154.94183	2.2
155.01920	15.9
156.97522	2.8
157.03461	5.1
158.97244	3.8
161.02972	9.4
162.03192	1.9
162.04497	2.7
167.01923	3.3
169.03470	3.6
171.04408	3.6
172.95319	3.0
173.02972	19.4
174.04523	7.6
175.11958	1.8
183.05009	17.9
183.55208	1.7
185.02998	11.4
187.04446	4.1
192.05537	2.8
197.02953	2.3
198.98499	2.0
199.54741	1.8
200.98315	7.5
202.94409	1.9
203.03972	7.9
204.05617	2.2
212.85201	70.7
213.00224	3.1
214.96483	15.2
215.04021	4.4
218.99533	1.4
218.99965	1.4
219.02083	11.7
224.98405	3.0
227.04134	2.8
228.97887	2.6
231.07687	3.3
234.06593	22.8
234.56554	3.3
238.96535	10.3
239.10623	2.8
242.99414	2.2
245.05110	19.0
246.05270	2.0
255.07198	13.0
256.97601	88.3
257.05063	4.5
257.97592	2.0
262.96448	2.0
263.06140	6.0
264.07678	47.1
264.57892	8.8
270.08569	2.2
275.06152	3.9
279.99207	1.8
280.97610	12.2
285.00552	2.9
285.08615	3.7
287.06207	2.0
297.93164	1.8
298.98633	100.0
299.98773	2.5
303.01630	2.3
305.07120	6.0
322.00043	6.1
326.99432	4.9
327.10590	3.8
327.13925	2.4
344.99960	22.2
345.11649	3.6
347.08212	6.9
365.09372	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	344.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15251	1.9
51.62000	1.6
53.03939	4.1
55.01875	2.2
55.05505	4.6
57.03441	7.7
57.35998	1.7
58.06588	6.8
67.05515	15.9
69.07074	25.0
69.75099	3.7
69.75507	5.9
71.04993	9.7
73.02874	1.7
79.05497	22.6
81.03431	12.0
81.07059	16.7
83.04993	3.8
83.08624	3.1
89.06017	1.8
91.05489	10.9
93.07050	14.7
95.04975	17.7
95.08617	10.0
97.06534	100.0
97.10154	1.9
97.27266	1.8
99.08092	5.4
105.07027	11.3
107.04963	3.9
107.08586	7.4
109.06499	7.9
109.10155	3.6
112.93282	1.6
113.05942	1.7
115.07574	18.9
117.07021	5.7
119.08601	5.5
121.06524	3.5
121.10143	4.0
123.08115	2.4
131.08559	7.5
133.10118	6.5
135.08087	8.7
135.11719	5.3
137.05934	2.5
139.45293	1.7
145.10176	4.0
147.11737	2.7
149.13243	2.6
151.03896	1.9
151.07629	1.6
151.11179	2.2
157.10114	3.6
159.11729	8.2
161.09669	3.0
167.87903	1.8
177.12730	4.7
195.13817	6.7
221.55824	1.6
223.13280	2.8
241.08627	3.1
271.06006	2.6
273.18570	3.8
283.09561	4.2
286.08289	3.3
291.19592	5.5
329.06558	3.4
329.10077	15.9
344.09412	1.7
344.12488	18.6
344.17926	5.7
345.05936	9.5
345.09836	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	344.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87492	0.9
53.03957	5.1
53.56404	1.0
55.05520	7.0
56.05029	1.5
57.03437	1.7
57.07082	28.8
58.06593	2.1
67.05222	0.9
67.05514	9.9
68.08366	1.1
68.14892	0.8
69.03426	1.6
69.07064	3.6
70.06591	3.1
72.08167	2.2
74.06087	9.5
74.09720	5.2
79.05507	24.0
81.07069	58.0
87.95582	1.0
89.06004	1.3
91.05498	16.1
93.07056	100.0
95.04962	5.0
95.08614	7.7
98.06081	14.4
98.97574	2.4
105.03405	48.6
105.04471	1.8
105.07047	8.2
107.04948	1.4
107.07967	1.7
107.08611	17.0
109.06560	1.4
116.98631	1.1
119.08560	2.1
119.13123	1.1
121.06532	6.1
121.10159	57.0
123.11726	66.7
126.12822	1.2
130.12286	4.1
131.08578	7.1
135.04367	1.7
148.05171	1.2
149.09633	43.3
154.12277	2.4
166.12271	3.0
181.01353	1.3
187.14832	1.6
222.16365	2.1
222.18562	42.9
223.18716	0.9
270.71585	1.0
287.05673	1.1
301.07016	5.9
312.06381	1.3
313.06989	1.3
315.04459	1.5
329.06494	8.5
330.07373	7.4
344.15222	1.5
344.18250	1.4
344.22229	38.2
344.31467	2.4
344.35172	2.5
345.05859	2.0
345.09756	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	344.2223
Annotation	Polysignine
Peak:m/z	Relative Intensity
55.05497	0.7
65.90206	0.4
66.09003	0.4
67.05494	1.0
69.07043	1.4
69.23387	3.3
79.05500	4.4
80.05007	0.8
80.26801	0.5
81.07037	1.4
83.08597	0.4
91.05490	3.5
93.05763	0.5
93.07040	3.2
94.06556	0.8
95.04944	0.4
95.08586	1.1
97.06541	0.4
98.06039	0.4
98.97629	0.4
103.05475	9.6
105.07053	2.4
107.04965	4.9
107.08572	1.7
108.08123	14.1
109.08891	1.0
109.10107	0.6
110.09666	1.6
111.23113	0.4
119.08572	0.8
120.08118	3.0
121.08892	0.5
122.09673	9.2
123.10468	2.0
123.11703	0.6
129.06914	0.6
130.06525	3.0
131.04942	5.8
132.08109	2.3
133.10153	0.7
134.09637	1.1
135.11722	2.4
136.11215	5.0
137.13275	0.4
148.11214	0.7
149.05945	0.6
150.12793	22.3
151.13577	7.8
152.14355	4.5
161.05896	0.4
164.14349	0.5
166.08650	0.9
166.12312	0.6
172.11133	0.4
179.20035	0.4
180.10237	5.2
181.04909	0.5
193.13669	0.3
200.14394	1.1
204.10236	0.5
212.14476	0.5
220.09732	0.4
226.15752	0.6
228.10202	1.7
246.11342	0.9
246.14952	1.3
254.19118	3.6
256.13275	0.9
270.15024	2.1
298.18051	0.9
300.19595	100.0
301.19852	1.9
302.21185	2.8
344.22226	80.6
345.22690	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48911	7.8
53.03933	10.4
55.01855	7.1
55.05523	63.4
57.03437	19.3
58.06582	10.3
67.05508	84.4
69.03425	21.3
69.07078	55.1
71.04994	29.7
71.52066	5.9
71.52522	9.7
79.05495	100.0
79.51938	7.4
81.03426	40.0
81.07066	91.0
83.04971	19.6
83.08636	38.7
84.08127	8.1
85.02905	15.1
85.06554	9.7
88.07641	10.9
91.05489	56.4
93.07060	93.2
95.04952	35.7
95.08635	54.6
97.02886	7.8
97.06545	78.9
97.10181	40.7
99.08046	9.8
100.70077	8.5
105.07041	40.5
107.04926	11.5
107.08604	56.8
109.06503	24.2
109.10171	16.2
111.08105	9.9
113.06004	17.0
115.07542	17.6
117.07000	18.3
119.08579	32.9
121.06520	10.4
121.10154	44.0
123.08079	32.9
125.09641	61.8
131.08585	22.2
133.10138	16.6
135.08035	17.1
135.11646	11.7
137.05984	12.4
137.09576	9.4
143.08528	8.8
145.10164	12.2
149.09671	10.1
149.13295	11.2
159.11714	11.6
161.09633	7.3
177.12808	12.5
189.06799	8.3
189.11224	51.9
195.13817	11.2
205.12347	9.1
221.15385	8.8
223.13231	34.3
235.16948	10.2
266.01074	8.0
273.18506	18.3
274.10654	8.0
281.12985	16.7
291.19482	40.7
299.14056	15.0
308.22513	8.7
309.20367	15.0
326.23083	8.1
344.24191	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	344.1864
Annotation	Norlaudanosine
Peak:m/z	Relative Intensity
53.75658	0.5
54.92730	0.4
55.01885	1.1
55.05527	0.6
56.05044	2.1
57.03440	0.7
57.77133	0.5
58.06607	70.8
59.06944	1.6
60.04531	2.7
60.17957	0.6
69.03445	2.0
69.62862	3.0
70.06602	2.0
72.08165	2.0
74.06082	2.6
75.61451	0.5
79.05516	1.2
79.51451	0.5
81.03424	1.4
81.07054	1.4
83.04996	0.9
84.04522	1.6
84.08156	4.4
85.02908	5.5
85.06569	0.5
86.09721	2.4
86.27560	0.5
91.05495	2.9
93.07058	1.9
94.07418	0.8
95.04952	2.5
95.06060	0.5
96.05328	1.5
97.02913	2.3
97.06550	0.6
99.04497	0.7
105.07060	0.9
107.04962	11.7
107.05633	1.0
107.08639	1.1
109.02860	0.5
115.05459	3.7
116.07107	0.7
117.07019	1.6
119.04979	1.8
121.06519	0.6
121.10173	1.2
122.03663	1.6
122.10486	1.3
125.05977	1.2
126.06348	1.0
127.03933	1.4
127.92115	0.5
128.07114	1.8
129.07021	0.8
129.10251	4.8
129.79614	0.5
136.07622	1.9
136.12021	0.7
137.05991	29.2
138.06325	4.1
140.40245	0.5
143.04930	10.6
145.04953	0.9
145.06531	1.2
145.10175	1.2
146.10532	2.1
147.04445	1.4
149.05997	1.1
151.07533	6.0
160.05226	1.2
163.11223	6.2
164.11559	10.9
165.05510	1.2
165.09111	2.9
174.09181	0.9
175.07559	12.6
175.09996	0.8
177.09227	0.6
179.08649	1.8
181.12300	1.2
182.12601	1.7
192.10207	3.1
193.11015	1.4
193.79483	0.4
207.08067	1.8
209.09631	0.6
234.09285	0.6
235.07639	0.9
237.12502	0.6
238.09258	0.7
239.10579	1.2
241.12216	0.7
254.17564	4.1
266.08908	1.0
267.09424	2.7
269.11758	1.0
284.09644	1.4
292.16492	0.8
299.12485	7.8
300.18097	1.5
301.14432	3.9
317.99728	0.5
326.14313	0.9
326.19931	0.7
326.23425	1.5
344.18552	100.0
345.18665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.01874	1.8
55.05518	7.0
56.74903	0.8
57.03439	2.0
58.06609	26.1
59.06952	1.9
60.04527	2.5
63.12613	0.8
65.03953	1.1
67.05514	7.8
68.05042	8.5
69.03442	2.2
69.07069	3.5
70.06600	31.4
71.05008	7.3
72.08173	1.5
76.46957	0.9
79.05510	9.3
81.03425	10.1
81.07075	11.6
83.04993	8.0
83.08632	6.2
84.04508	1.5
84.08158	3.4
85.02924	2.3
85.06550	2.5
86.09692	2.5
91.05489	7.9
92.91933	0.8
93.07049	9.5
95.04991	5.9
95.08628	4.5
96.05310	1.3
96.08161	1.0
97.06547	13.9
97.10189	6.0
99.08114	1.1
101.09622	0.8
103.05475	0.8
105.07045	4.5
106.06601	1.0
107.04963	2.4
107.08627	6.9
108.08131	1.0
109.06557	2.8
109.10182	2.7
111.08095	3.5
114.05535	7.9
116.07108	45.9
117.07031	1.2
119.08623	3.6
121.02997	0.9
121.06517	2.2
121.10141	4.1
122.09687	1.2
123.08112	1.3
123.11725	1.2
125.09648	2.7
125.60684	1.0
129.07004	1.1
131.04932	2.4
131.08612	2.4
132.05373	1.1
133.10161	4.0
135.08092	1.5
135.11728	3.1
136.07591	1.5
137.05994	17.1
137.07060	0.9
137.09676	1.2
138.06294	6.4
142.08699	2.4
143.04924	2.6
147.04424	1.0
147.08124	1.4
147.11743	4.2
149.05922	0.8
149.09608	1.4
149.13274	1.4
151.07550	2.6
154.08670	3.8
157.10167	1.8
159.11751	2.0
163.11160	1.0
165.05463	1.5
170.08180	2.2
175.07599	2.9
175.11230	2.4
177.12833	2.3
178.08694	1.9
179.09018	2.8
180.09009	0.8
182.12692	1.8
183.06612	2.1
191.08572	1.0
192.10294	1.8
193.12257	7.6
195.13853	8.0
197.11742	1.7
205.12282	1.4
207.06996	1.0
211.13362	12.1
213.14865	6.4
224.07364	1.0
236.16556	2.4
238.18098	2.6
239.09798	1.6
252.85239	0.9
254.17548	24.7
254.20209	1.2
256.19003	0.9
265.08649	2.0
266.09006	2.1
267.09216	7.5
280.19153	7.4
282.16977	10.7
283.09204	1.0
284.09946	1.5
297.11148	1.9
298.08109	1.2
298.11459	1.4
298.16849	1.8
298.20224	3.6
299.12009	7.2
300.18002	8.6
308.18597	5.1
314.14069	1.0
326.19666	100.0
327.20102	2.1
344.18329	31.6
344.24512	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.9
55.00855	1.1
55.01862	3.5
55.05499	1.2
57.03428	4.0
59.04968	2.0
60.04544	8.8
61.02934	9.8
63.13277	1.0
67.05499	1.8
69.03441	14.4
69.07074	1.9
69.79900	6.3
70.06577	1.9
71.04967	1.7
73.02892	2.1
79.05480	3.4
81.03415	8.1
81.07050	2.4
84.04536	1.5
85.02913	68.8
87.04459	3.0
91.03947	4.5
91.05476	1.8
93.07036	1.8
95.04951	1.4
95.08588	1.3
96.05305	1.4
97.02897	15.6
97.77367	1.2
98.97595	1.9
99.04468	2.7
100.11279	6.6
101.11510	1.6
105.03380	1.6
105.07036	22.9
107.08620	1.3
109.02902	9.1
109.06528	1.4
115.67738	1.2
116.07087	2.0
121.06480	1.7
123.04459	1.3
124.05231	30.1
127.03937	11.0
133.06496	16.3
135.11664	1.4
137.05991	31.3
145.04964	20.7
145.10104	1.6
147.04424	2.0
163.06027	1.8
165.09128	100.0
170.11798	2.2
180.08685	4.1
182.08002	1.4
191.03397	1.4
192.03749	2.4
298.07913	2.9
326.23221	3.0
342.81287	1.4
344.08438	3.7
344.20999	1.3
344.24539	9.9
344.30954	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	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
56.05026	0.7
57.03427	1.3
58.06591	3.2
61.02921	1.2
69.03432	3.9
70.06577	1.8
70.66147	0.6
71.17841	1.3
78.15483	0.6
81.03400	1.2
84.08147	1.5
85.02910	15.6
86.09716	0.6
89.06006	0.6
91.03944	0.8
91.05482	4.5
95.04984	0.8
97.02902	3.5
99.04417	0.6
106.02898	0.6
109.02872	1.4
116.07123	1.0
119.04948	17.3
123.04421	2.7
124.03948	0.7
127.03934	3.0
129.10246	1.5
137.05977	0.7
145.04947	3.2
147.04414	100.0
165.05481	56.2
166.05771	0.6
172.11447	0.8
178.17638	0.6
180.08682	2.3
182.08122	0.8
203.73906	0.6
246.70531	0.6
273.65958	0.6
309.09576	0.7
344.13846	0.9
344.18527	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
56.05029	0.9
57.03437	0.6
58.06604	5.2
60.04524	0.7
61.00432	0.5
61.02917	1.9
67.05545	0.7
68.53407	0.5
69.03423	2.3
70.06615	2.8
70.69476	0.7
70.69838	1.7
72.08136	1.2
73.02901	0.7
73.18140	0.5
81.03412	1.5
81.07052	1.2
84.08146	1.2
85.02914	15.5
86.09711	1.9
89.06023	1.1
91.03980	1.1
91.05489	5.1
95.04979	0.8
97.02926	3.3
109.02872	2.3
116.07091	2.1
119.04958	18.2
119.08564	0.7
121.06518	0.6
123.04458	3.5
127.03931	2.8
129.10275	0.8
133.08716	0.9
136.07576	0.8
137.05956	0.7
138.06375	0.6
145.04990	3.0
147.04425	100.0
149.05984	0.8
151.07524	0.6
152.04272	0.6
159.11755	1.0
165.05493	58.2
167.07068	1.1
180.08720	2.0
182.08133	1.6
201.12378	0.7
205.12299	0.6
211.13257	0.6
223.09749	0.6
223.13324	1.1
252.35129	0.6
299.13110	0.6
304.53183	0.5
309.09769	0.6
327.20001	0.6
344.13553	0.8
344.18359	3.9
344.23651	0.9
359.12042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.2
53.03955	2.8
56.05051	0.5
57.03443	1.0
58.06608	12.5
60.04274	0.5
60.04538	7.0
67.05499	0.6
67.39243	0.5
69.03088	0.7
69.03439	9.9
69.47308	1.9
69.47731	2.3
70.06592	2.0
70.58585	0.5
71.05006	1.3
72.08152	1.0
73.02934	1.1
78.03461	14.5
78.79721	0.6
79.05481	1.0
80.05021	2.5
80.88548	0.5
81.03429	20.6
82.91069	0.5
83.04996	0.6
85.02921	12.0
86.09705	0.9
89.06039	1.4
91.05492	2.0
93.07021	1.0
96.04498	3.7
97.02901	5.9
98.21472	0.8
99.04485	3.7
106.02929	71.3
109.02892	14.3
117.07068	0.6
122.02746	0.7
123.04478	2.9
124.03970	100.0
127.03085	0.8
127.03934	7.6
131.08533	1.2
133.08598	0.8
135.08023	1.0
137.06003	1.4
143.05003	0.6
145.05002	1.1
145.10191	0.6
151.07539	0.7
152.04230	0.6
166.05086	2.0
172.07643	0.9
173.07904	0.8
174.06743	0.6
175.07550	1.0
182.05371	1.0
182.08070	0.7
186.96837	0.5
189.09180	1.4
196.06039	0.6
197.80086	0.5
202.04976	0.6
206.11911	0.6
223.09750	2.1
232.06071	6.0
234.99078	1.6
250.07141	32.5
268.08194	36.3
280.10068	2.1
284.10455	0.6
298.11108	0.9
299.10779	1.0
299.12933	0.8
326.10358	0.8
326.13882	0.7
326.23215	3.3
327.19989	0.7
344.13666	2.6
344.18616	16.1
344.24371	3.0
345.11804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.7
57.07068	5.4
58.06582	3.8
59.04988	1.7
67.05508	14.0
69.03426	2.0
69.07072	17.2
69.57252	2.3
69.57663	7.9
71.04987	5.3
71.08627	2.0
71.13061	1.1
73.75217	1.3
79.05497	10.0
81.06592	2.3
81.07058	32.3
83.08645	8.3
85.06544	2.7
91.05484	9.5
93.06489	2.3
93.07051	42.2
95.08616	38.2
97.06524	4.4
97.10177	5.7
99.08067	3.3
104.67997	1.3
105.07040	11.0
107.07880	2.6
107.08601	45.0
109.10165	26.4
111.08091	3.8
111.11705	4.1
113.09660	1.4
119.08605	12.3
121.10155	39.8
123.11717	16.8
125.09615	5.3
127.11168	5.8
131.08572	3.6
133.10150	9.1
135.11697	44.5
135.12726	2.5
137.13243	5.5
139.11150	2.3
145.10101	7.9
147.10536	1.3
147.11682	21.1
149.13268	100.0
153.12740	3.0
159.11650	3.3
161.13275	5.6
163.14780	3.4
167.14363	1.4
173.13260	3.3
175.14899	8.7
177.16389	22.2
187.14766	3.8
189.16397	7.8
191.18005	8.3
193.15825	2.9
195.17450	14.7
201.16359	3.4
202.30525	1.2
203.17978	11.9
209.18953	2.1
213.16478	1.6
215.17943	2.6
217.19531	2.8
233.18646	1.3
240.23329	2.1
243.20935	1.8
255.21181	1.7
257.22662	2.5
266.09027	1.8
298.11600	2.0
307.29678	1.2
325.28891	5.4
343.17447	4.0
343.26056	2.2
343.29971	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31181	1.3
52.43014	1.1
53.03936	2.0
55.05512	9.1
56.62069	1.2
57.03456	1.8
57.07084	6.3
65.03946	2.0
67.05511	21.2
67.66673	1.3
69.07071	19.7
69.59473	8.4
71.05003	6.2
75.44581	1.1
79.05503	15.3
81.07063	47.6
83.04984	1.8
83.08616	9.2
85.06536	8.7
91.05480	15.0
93.07051	45.7
93.07642	2.3
95.05031	1.6
95.08616	77.2
97.06561	1.9
97.10173	5.5
98.20788	2.6
105.07039	27.2
107.08605	50.6
109.10166	49.4
111.08097	1.9
111.11742	2.1
113.09657	65.7
114.16467	1.4
117.14655	1.3
119.08591	37.8
121.10159	57.4
123.11723	23.4
125.09618	1.8
127.11211	2.3
127.24547	1.3
131.08589	5.3
133.10138	30.1
135.11708	34.4
137.13268	13.7
139.11183	2.4
143.08582	1.4
145.10144	9.5
147.11708	22.4
149.13283	30.9
151.14882	3.0
153.12787	1.7
157.10149	1.8
159.11720	12.1
161.13266	21.4
163.14827	14.1
169.08171	1.6
171.11678	2.9
173.13281	8.4
175.14835	20.6
177.16356	8.1
185.13333	2.4
187.14844	6.7
189.16393	17.8
191.17970	27.5
193.15904	1.9
194.88478	1.4
199.14833	1.6
201.16414	5.6
203.17987	10.2
205.15909	1.9
207.17513	2.6
213.16402	1.7
215.17982	6.0
217.19554	17.8
219.17503	3.5
227.17856	2.1
229.19566	4.6
231.21059	7.5
233.19086	3.0
240.23293	1.4
247.20645	4.6
255.21111	3.0
259.20523	2.1
261.22073	2.7
269.22723	2.0
273.22141	5.8
285.25851	1.8
287.23611	4.2
325.28857	10.8
343.29987	100.0
344.30289	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.88757	1.3
53.03942	2.5
55.01859	5.4
55.05523	10.1
57.03424	6.7
57.07072	8.0
59.04987	3.9
59.10216	1.4
67.05509	16.1
67.24924	1.7
69.03436	7.4
69.07056	6.5
71.04993	17.7
71.38087	3.1
79.05501	14.5
81.03414	3.9
81.07065	20.4
83.04962	4.1
85.06523	3.1
91.05489	23.1
93.06487	3.0
93.07051	48.7
95.04976	40.0
95.08616	59.7
97.06539	10.5
103.05504	1.5
105.07036	55.7
107.04926	2.3
107.08607	44.3
109.06528	10.9
109.10120	2.7
112.87455	1.5
115.05441	4.1
117.07028	19.3
119.06123	1.5
119.08581	23.0
121.06504	11.2
121.10142	10.0
123.04430	2.5
123.07330	1.8
123.08076	20.2
123.11723	1.5
125.06006	2.8
128.06252	2.0
129.07005	4.9
130.07797	11.8
131.08572	6.8
133.06483	5.9
133.10127	13.0
135.04427	5.7
135.08046	19.5
135.11707	11.9
137.06009	5.4
137.09644	3.9
142.07793	3.2
143.08580	8.7
145.06494	3.6
145.10136	62.1
147.08044	10.7
147.11696	5.6
149.09641	4.1
151.07562	31.5
153.09167	3.4
155.08553	2.9
157.10135	4.1
159.08040	2.9
159.11697	5.8
161.09651	7.5
161.13179	2.7
163.11197	52.5
165.09097	14.9
167.93008	1.5
169.10133	2.6
171.11671	3.5
173.05984	3.6
173.09671	3.8
173.13281	2.9
175.11252	3.3
177.09143	3.1
179.06967	2.8
181.10094	3.2
183.11697	2.6
185.13297	3.3
187.11201	4.8
187.14923	1.8
189.09132	3.5
189.12735	7.6
191.10622	1.8
191.14308	2.7
192.20667	1.5
197.13261	2.7
203.14354	10.5
207.10228	2.4
207.13806	5.1
209.13344	2.9
209.15257	2.9
215.14307	2.0
217.12320	3.5
221.15378	24.7
223.14941	2.3
233.15364	2.4
240.23230	4.3
243.13803	2.3
245.15376	1.9
245.83327	1.5
249.09120	1.8
254.05746	2.1
255.06561	3.1
259.16846	1.6
263.16489	7.4
269.15424	2.4
275.05051	1.4
277.08624	1.9
286.19244	2.8
287.20300	2.3
289.08658	2.0
307.09625	4.0
307.20459	1.9
325.21677	9.7
343.07874	1.7
343.22693	100.0
344.22668	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	Sargachromanol A
Peak:m/z	Relative Intensity
53.03939	4.6
55.01863	6.7
55.05520	11.1
57.03429	5.9
57.07066	6.1
58.74621	1.5
59.05004	4.3
59.60768	1.8
63.47504	1.5
65.03934	2.0
67.05247	1.7
67.05514	17.7
69.03443	8.0
69.07060	4.6
71.05000	13.1
75.97467	1.7
77.03915	1.8
79.05502	15.8
81.03437	8.6
81.07056	17.5
81.36172	1.8
83.04967	5.3
85.06524	3.9
91.05489	22.8
93.07063	48.5
95.04982	39.6
95.08617	55.4
97.06534	13.0
103.05454	2.6
105.07040	51.0
107.04968	3.8
107.08606	31.5
109.02888	2.7
109.06559	7.9
109.10153	3.9
115.05462	5.7
117.07036	23.6
119.04887	1.8
119.08570	17.5
121.06528	9.4
121.10194	11.9
122.03619	3.1
123.04455	9.7
123.08092	18.5
125.06000	2.3
128.06198	2.8
129.07013	7.0
130.07794	11.8
131.08566	5.8
133.06482	6.3
133.10133	10.8
135.04393	2.0
135.08084	16.1
135.11729	11.8
137.02351	12.8
137.03244	2.0
137.05992	40.2
137.09642	4.9
138.06313	1.9
142.07771	3.6
143.08586	8.1
145.06528	2.4
145.10139	63.5
147.04376	1.7
147.08098	9.7
147.11710	5.4
149.02353	2.2
149.09654	3.9
151.03920	29.6
151.05020	3.5
151.07553	38.1
153.09151	2.5
155.08586	2.9
156.09393	1.8
157.10147	9.1
159.08049	3.2
159.11732	5.8
160.08839	1.9
161.06004	2.0
161.09647	4.2
161.13271	3.9
162.00780	1.6
163.07565	3.3
163.11197	42.1
165.09145	10.6
169.10201	3.7
171.11717	3.8
173.09641	2.7
173.13274	3.7
175.07620	1.9
175.11159	4.5
177.09187	3.5
179.07057	3.8
179.10678	2.6
181.10126	3.3
181.12183	2.1
183.11707	2.5
185.13280	1.6
187.07474	1.8
187.11147	4.7
189.05479	3.1
189.09213	7.6
189.12753	8.1
191.07037	2.8
191.10748	2.1
191.14235	2.1
195.11642	2.8
197.11673	2.0
197.13303	4.4
199.14751	2.3
203.14377	7.4
207.13812	3.9
209.15289	3.7
221.15382	23.1
223.14816	2.0
233.15390	4.2
240.23296	4.5
241.16006	3.1
244.16940	1.7
247.16960	2.0
263.16507	7.0
269.15396	2.0
274.19434	1.8
286.19287	3.6
287.16483	1.9
287.20071	2.1
297.07742	2.0
307.09741	3.5
313.10696	4.4
325.10516	2.9
325.21658	10.5
343.11710	23.5
343.22705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.60205	1.7
53.03946	5.0
55.01857	6.5
55.05513	14.8
57.03436	5.4
57.07063	5.9
59.05003	3.1
67.05507	18.8
69.03421	10.1
69.07050	5.2
69.74251	11.9
71.04989	14.3
79.05501	22.4
81.03416	5.5
81.07065	24.0
83.04954	3.4
83.08606	3.2
83.97224	2.2
85.06546	4.9
88.13235	2.1
89.99240	2.3
91.05479	24.1
93.06486	3.7
93.07048	55.5
95.04970	40.8
95.08614	61.5
97.06547	14.8
103.05467	3.0
105.07039	62.7
106.53423	2.0
107.04980	2.4
107.08596	39.6
109.06518	16.3
109.10140	6.4
111.08110	2.4
115.05455	5.4
117.07026	30.2
119.08569	23.6
121.06504	13.9
121.10163	13.7
123.08086	23.7
128.06207	3.6
129.07018	6.7
130.07797	12.2
131.08563	8.9
133.06509	5.5
133.10139	16.2
135.08057	19.5
135.11684	10.8
137.05956	8.5
137.09682	2.3
142.07767	5.5
143.08585	12.2
145.06479	2.9
145.10135	63.2
147.08058	9.6
147.11703	5.5
149.09630	6.3
151.07553	37.3
153.09096	3.9
155.08592	3.2
156.09317	2.8
156.61757	2.0
157.10121	9.8
159.11719	10.3
161.09628	8.2
163.11186	50.4
165.09132	13.6
169.10165	3.1
171.11684	4.9
173.09579	3.3
173.13263	3.3
175.11197	6.6
177.09122	5.0
179.07059	4.1
181.12300	4.3
183.11893	2.0
185.09706	2.1
185.13229	3.0
187.11215	6.1
189.12706	10.7
191.14340	3.3
195.11697	2.1
197.13280	3.7
199.14810	2.1
203.14337	6.5
204.92693	2.4
207.13829	4.9
209.13351	2.4
209.15430	2.7
215.14291	4.0
221.15352	27.6
225.12840	2.3
233.15373	3.9
241.15901	2.8
247.16870	2.9
249.16513	2.2
263.16476	6.3
286.19327	3.3
287.20200	2.3
297.22144	2.2
310.33658	2.1
325.21518	11.9
343.22699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03929	4.2
55.01867	4.1
55.05316	1.1
55.05513	12.6
57.03422	5.5
57.07078	8.0
59.05003	6.6
59.88838	1.2
66.43495	1.6
67.05507	18.4
69.03432	9.3
69.07055	5.3
71.05000	15.2
71.43294	2.0
71.43632	1.5
75.76959	1.3
78.64211	1.4
78.64681	1.4
79.05498	19.6
81.03418	3.3
81.07066	23.9
83.04984	4.5
83.08614	2.7
85.06536	4.4
91.05488	27.5
93.07055	57.4
95.04983	41.0
95.08615	60.0
97.06544	16.3
103.05487	1.8
105.07040	63.3
107.04940	3.9
107.08603	47.1
109.06525	15.3
109.10141	4.8
111.08075	1.8
115.05441	5.4
116.06231	2.0
117.07033	25.4
119.04890	2.4
119.08588	22.7
121.06546	14.9
121.10161	17.4
122.07272	1.8
123.08067	25.6
125.06001	2.1
128.06229	3.1
129.06996	2.9
130.07806	13.9
131.08606	8.5
133.06482	4.8
133.10129	14.0
135.08067	18.9
135.11714	11.0
137.05986	5.6
137.09621	3.1
141.06987	1.8
142.07785	3.3
143.08569	11.8
145.06470	3.0
145.10136	66.8
147.08069	13.7
147.11681	5.6
149.09619	5.7
151.07558	39.4
153.09105	3.2
155.08553	4.1
155.10667	2.1
156.09341	3.8
157.10147	11.9
159.07994	3.1
159.11716	8.7
161.09677	8.3
161.13254	2.0
163.07558	1.9
163.11209	44.5
165.09155	14.0
169.10114	3.8
171.11723	4.1
173.09639	4.5
173.13278	2.8
174.10396	1.8
175.11218	3.8
175.14948	1.7
177.09106	3.7
179.07047	3.6
179.08519	1.9
179.10686	1.4
181.10133	3.1
181.12215	3.7
182.10857	1.6
183.11658	3.7
185.13310	2.5
187.11171	6.9
189.09177	2.3
189.12764	6.2
191.10594	2.3
191.14362	1.6
197.11659	1.7
197.13232	3.3
199.11253	2.1
201.12698	1.6
203.14296	7.0
205.15941	1.9
207.10152	1.8
207.13789	5.7
209.15320	3.7
215.14320	4.2
217.12311	3.2
221.13168	1.5
221.15407	30.5
223.14827	3.6
225.12660	2.3
227.14485	1.8
233.15376	4.9
241.15903	2.2
243.13916	3.2
245.15417	2.7
247.17111	2.5
251.14215	1.7
263.16422	6.1
269.15414	3.3
274.19394	2.5
286.19348	3.9
287.16605	2.9
287.19897	1.9
288.66006	1.4
293.10895	1.8
325.13486	2.9
325.21600	12.8
343.22690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
54.59913	0.6
55.01870	1.6
55.05513	1.3
55.50692	0.7
57.03432	2.8
57.07048	0.8
58.06609	19.4
58.16540	0.8
59.06931	2.1
61.02946	3.6
67.05493	1.0
69.03439	12.3
70.05893	2.7
70.06305	1.3
71.04982	2.1
73.02962	1.7
79.05116	0.8
79.05503	4.2
81.03431	4.4
81.07069	9.2
83.04990	6.6
85.02917	27.3
87.04467	1.2
91.03961	1.8
91.05508	3.7
93.07061	8.7
95.04986	17.8
95.08625	1.1
97.02913	8.6
97.06542	2.0
99.04494	1.7
101.27470	0.8
103.03928	1.0
105.07027	7.0
107.08599	9.2
109.02896	2.2
109.06491	1.7
117.07039	3.3
119.08584	3.1
121.06549	4.1
121.10155	10.1
122.85549	0.9
125.06015	9.6
127.03936	5.1
130.07802	3.0
135.11723	7.5
137.06027	6.1
138.06311	1.1
143.08553	2.1
145.04977	8.6
145.10138	18.7
147.08006	1.3
161.09647	1.3
163.11200	100.0
164.11539	1.5
165.09174	1.4
166.73906	0.7
167.07054	0.8
175.11295	1.5
181.12250	16.3
183.10129	1.5
192.09003	1.5
205.12289	1.0
210.09985	1.1
220.08356	1.2
222.06918	1.1
223.07164	1.9
223.13321	1.8
238.09401	2.2
255.56291	0.8
266.09012	7.2
268.06735	0.9
282.08823	1.3
283.09213	2.6
289.14209	0.9
297.11203	1.4
298.11618	11.4
298.14740	1.3
300.13141	1.7
300.63928	0.8
307.15735	0.9
343.17377	33.8
344.18442	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84458	0.6
55.00392	0.8
55.01899	0.7
55.05510	1.3
56.96570	0.8
57.03442	0.8
58.06587	1.0
59.88679	0.7
61.39383	0.7
65.03914	0.8
67.05501	2.3
69.03439	2.0
69.07065	1.6
70.06583	0.7
71.52542	1.0
72.08145	0.7
78.07611	0.7
79.05486	2.5
79.64772	0.7
81.03431	2.0
81.07079	4.1
83.04960	1.0
85.02895	2.5
86.99203	0.7
91.05484	5.6
93.07035	3.7
94.04208	1.8
95.04966	3.2
95.08612	1.8
97.02899	1.0
97.06529	2.4
98.97623	1.3
102.35866	0.8
103.05444	1.7
104.45079	0.7
105.07028	2.5
107.04961	1.6
107.08603	1.7
109.02877	1.0
109.06525	2.1
109.10150	1.1
115.05473	2.7
117.07005	5.2
119.04963	1.7
119.08582	2.2
121.06492	2.1
121.10146	1.1
122.03650	6.2
123.04456	2.7
127.03928	1.1
129.06989	2.5
131.04933	1.4
131.08592	1.8
133.10132	1.0
134.07385	0.9
135.04434	3.0
135.11726	1.6
137.05989	100.0
138.06332	1.8
139.03943	4.0
139.04817	0.8
141.07042	0.8
145.06541	2.8
145.10103	1.6
147.04448	2.1
147.08049	1.3
147.11700	0.8
149.06001	1.3
149.09665	1.3
151.03894	1.8
151.07538	1.4
157.06487	1.7
159.08063	1.1
161.06003	3.0
162.06802	1.4
163.03938	5.6
163.07549	1.0
163.11189	6.8
169.06512	1.7
173.05997	1.0
175.07573	5.3
177.05580	1.0
177.09119	24.0
179.07054	0.8
181.05019	5.4
181.12308	1.7
187.07571	1.9
189.09106	5.0
191.03389	2.4
197.06047	2.3
201.09117	0.8
205.08614	1.4
207.04440	1.8
209.06052	1.0
211.07649	2.1
223.07629	1.1
225.05464	1.9
239.07037	1.7
257.08112	1.5
259.09546	0.9
269.08130	1.3
272.10458	11.6
281.11066	0.7
283.06226	1.4
283.09549	0.9
284.10495	1.2
293.11441	2.2
295.09036	0.9
297.07788	4.6
297.10782	1.3
301.07114	3.6
312.08640	0.8
313.14255	2.9
313.49609	0.8
325.07104	1.9
325.10645	1.5
325.13977	3.7
343.08115	3.4
343.11847	5.0
343.15146	1.1
343.17902	1.2
344.22046	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1542
Annotation	Millinolol
Peak:m/z	Relative Intensity
50.76461	0.9
58.06591	1.3
58.92677	0.9
65.03951	1.5
67.05511	2.4
69.03437	1.3
69.07054	1.7
70.06596	1.3
71.08610	1.0
79.05492	4.0
80.21033	1.0
81.07069	2.9
87.07297	0.9
91.05485	7.4
93.03410	1.7
93.07045	2.0
94.04173	2.1
95.04985	2.7
95.08620	2.1
97.06499	1.3
103.05466	2.9
105.07050	3.7
107.04970	3.8
107.86251	0.9
109.06544	3.1
111.04453	2.5
115.05457	1.6
117.07047	1.6
119.04955	4.0
121.10129	1.3
122.03655	6.5
123.04449	1.6
125.05999	3.2
129.07011	6.7
131.04927	5.9
131.08569	4.9
133.06535	1.3
135.04410	3.0
135.08098	1.3
135.11691	1.7
137.05992	100.0
141.07056	1.3
145.06538	2.4
145.10103	1.6
147.04433	2.7
149.05981	7.2
151.03929	4.0
151.07545	11.9
152.55048	0.9
153.05521	4.9
153.50029	0.9
157.06514	4.8
157.10114	1.1
158.07260	2.7
159.08041	4.9
163.07565	3.0
163.11095	1.3
165.09216	1.4
167.07031	3.9
174.06795	13.8
175.07500	1.0
177.09125	1.2
186.06778	2.3
187.07588	1.2
189.09123	50.8
190.07791	1.2
191.10646	4.4
201.09102	14.0
205.08559	1.5
205.10245	1.6
218.07294	1.3
219.10210	2.6
223.14984	1.2
233.09627	4.9
236.07932	1.3
240.07834	1.6
240.23253	10.2
247.07576	1.3
253.08624	1.6
261.09174	4.7
265.08640	1.7
265.12360	3.0
270.08926	1.3
278.09607	1.2
281.08218	1.2
283.06412	1.2
283.09665	4.5
293.11716	9.1
295.09409	1.1
296.10480	2.9
297.07663	2.6
297.11197	1.2
298.12280	0.9
310.12024	3.2
325.07266	1.7
325.10712	1.8
325.14377	24.3
343.08124	2.0
343.11679	2.0
343.15247	9.3
343.22110	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	0.8
65.06281	0.3
67.05520	1.9
69.54643	0.7
69.55061	1.8
72.54258	0.4
79.05505	0.7
81.07051	2.0
83.21442	0.3
91.05496	5.4
93.07052	1.6
95.08617	5.6
105.07001	1.3
107.08591	1.7
109.10168	10.2
115.05484	0.6
119.04971	2.8
121.10130	1.6
123.08096	0.8
131.04951	1.1
133.06499	1.1
137.05963	0.8
137.09647	5.1
147.04430	16.6
149.09621	1.0
159.04422	2.0
163.03937	0.9
173.05991	1.3
175.03926	100.0
176.04286	0.9
177.05542	0.6
187.03934	1.3
189.01875	0.5
189.05479	9.1
189.25874	0.4
199.03911	0.5
201.05519	1.0
203.07117	2.9
213.05542	1.8
215.03476	2.0
215.07036	2.4
217.05020	1.5
219.06679	0.4
227.06912	0.6
240.23279	0.7
241.08649	1.1
253.08643	0.9
255.10182	1.3
266.08960	0.5
269.11819	2.2
283.13318	33.2
284.13364	0.4
293.11667	3.2
311.12802	6.6
343.17337	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1543
Annotation	Millinolol
Peak:m/z	Relative Intensity
55.05511	1.3
58.06601	1.7
58.80988	1.0
62.25381	1.0
62.96844	1.0
65.03938	2.3
67.05499	1.1
71.08633	1.4
71.52509	1.4
79.05522	4.8
81.07063	3.8
84.16245	0.9
91.05489	4.9
93.03416	1.6
93.07053	2.4
94.04194	2.8
95.04981	1.5
95.08614	2.6
97.06519	1.6
103.05508	2.6
105.07053	2.9
107.04951	4.8
107.08598	1.6
109.06513	1.7
111.04451	1.9
117.07056	1.9
119.04953	3.5
119.08608	1.5
121.06547	1.1
121.10180	1.4
122.03638	7.1
123.04397	1.6
125.05994	2.3
128.06212	1.5
129.06995	5.2
131.04912	4.9
131.08554	4.1
133.06490	1.7
133.10150	1.1
135.04425	3.7
137.05989	100.0
141.07013	1.7
145.06505	2.3
145.10149	1.9
147.04414	2.8
149.06000	7.2
151.03923	4.1
151.07556	14.2
153.05472	5.0
157.06497	4.6
158.07339	3.0
159.08075	3.3
163.07582	2.7
163.11177	2.2
167.07076	4.0
169.06567	1.1
174.06778	15.7
175.07576	1.1
177.09100	2.4
186.06772	2.0
189.09123	55.3
191.10704	3.7
201.09105	15.1
201.10788	1.7
202.09911	1.1
205.08495	1.4
205.10210	1.6
218.07333	1.3
219.10226	1.5
233.09598	5.1
235.07501	2.0
239.06844	1.4
240.23247	9.8
247.07617	1.4
250.09956	1.7
253.08556	2.3
261.09073	4.8
264.07901	1.0
265.08536	2.0
265.12308	3.8
278.09592	1.8
281.08133	1.2
283.06464	1.5
283.09720	3.9
293.11783	7.5
295.09564	1.5
296.10553	1.9
297.07712	2.4
297.11157	1.7
298.11923	1.0
310.12024	2.0
313.14401	1.6
325.14371	27.1
343.08148	2.9
343.11652	1.7
343.15289	10.6
343.22552	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	343.1544
Annotation	Millinolol
Peak:m/z	Relative Intensity
53.03960	1.5
57.07088	3.7
58.06611	1.4
64.22398	1.0
67.05514	2.0
70.06593	3.3
71.08691	1.6
71.51930	1.4
77.44914	1.3
79.05519	3.4
81.07074	5.1
82.14240	1.0
83.08632	1.3
85.10197	2.2
85.67492	1.1
91.05495	7.2
93.07050	1.5
93.27547	1.0
94.04208	2.6
95.04986	1.6
95.08652	3.7
96.62817	1.1
105.03372	1.2
105.07076	1.7
107.04996	4.8
107.08604	1.7
109.06558	5.1
109.10205	1.1
115.05465	3.7
117.07029	5.7
121.06567	1.8
121.10197	1.5
122.03678	8.6
128.06281	1.6
129.07039	1.8
131.04994	2.2
135.04436	2.6
136.05203	12.9
137.05992	100.0
139.07520	1.9
141.07098	1.2
143.04951	2.6
144.05759	3.1
145.06473	5.1
146.07343	1.7
149.05983	5.1
151.03912	1.6
151.07564	56.7
153.05487	1.4
157.06479	5.9
158.07303	11.7
159.04453	4.0
159.08087	1.9
160.05193	7.2
160.08932	1.9
161.06018	1.3
163.07593	2.4
163.11247	1.3
172.05310	4.4
173.06062	1.2
174.06772	24.2
175.07573	29.5
175.09036	1.9
177.09160	6.6
183.17455	1.5
187.07570	22.6
189.09134	50.6
191.10629	5.8
201.09129	35.6
201.10983	2.0
202.09741	1.3
204.03589	1.3
205.08698	4.2
218.07317	1.5
219.08244	2.1
219.10007	5.4
231.08051	1.3
233.09650	3.3
234.10475	1.8
235.07610	2.3
240.23235	35.8
241.08612	1.3
247.07622	2.4
250.09897	1.1
251.10603	1.9
253.08647	2.7
254.09390	2.7
261.09192	3.2
262.09995	2.9
263.07187	1.9
265.12302	2.2
267.10239	2.0
269.08081	2.4
278.09451	3.0
279.10217	3.9
281.08191	1.4
282.09021	4.0
284.10483	7.4
293.11716	7.3
294.12546	7.3
295.09668	2.6
297.07574	4.8
297.11310	21.0
297.14273	1.8
298.11603	1.4
307.13330	1.3
310.12036	9.7
325.14389	47.3
343.08157	2.5
343.11893	1.9
343.15335	6.0
343.22668	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	343.1026
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.03931	0.7
55.01867	0.8
55.05534	0.4
55.30130	0.4
57.03424	0.3
57.71553	0.4
58.06591	1.1
61.02909	0.4
65.03941	2.6
65.19881	0.4
66.86311	0.3
66.92828	0.5
67.05498	1.1
68.99754	0.3
69.03435	1.9
69.07028	0.4
70.01913	1.2
70.03751	0.3
70.06593	2.4
72.08155	0.6
79.05502	0.8
81.03429	0.4
81.07055	1.4
83.04963	0.5
84.08150	1.0
85.02911	2.2
86.09717	1.1
91.05471	0.5
92.89565	0.4
93.03426	0.7
95.04969	1.6
97.02899	1.5
98.97589	0.7
105.03380	0.6
105.07054	2.8
107.04918	0.5
107.08640	0.5
108.02102	2.2
108.02785	0.3
109.02880	0.4
109.06525	0.4
110.03625	0.4
110.07169	1.0
111.04434	1.1
113.86959	0.4
116.07108	1.2
117.09141	0.9
118.09482	0.7
119.04932	1.5
120.48508	0.3
121.10175	0.5
122.03633	0.4
123.04399	0.9
124.17593	0.4
125.05968	0.5
127.03873	1.1
133.06512	4.5
135.04456	0.4
137.06006	3.3
140.04678	0.4
141.05450	2.1
147.04420	5.9
151.03912	100.0
151.05000	7.2
152.04303	1.0
163.03891	2.9
164.01648	0.4
165.05492	0.9
165.09125	2.1
169.04895	0.6
180.06464	0.4
181.04965	5.5
182.02760	0.5
196.06010	0.5
200.13911	0.5
219.01819	1.0
228.13480	0.8
234.32195	0.4
237.02768	0.4
244.68707	0.4
247.06567	0.5
284.09195	0.8
290.67453	0.4
295.25708	0.4
331.06790	0.4
343.16687	0.9
343.23044	0.7
349.08115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19970	0.3
56.96569	2.8
69.03441	0.3
70.06591	4.7
71.51281	0.4
72.96046	0.7
78.56961	0.2
82.06596	0.9
84.08147	100.0
84.96043	1.1
85.02910	0.5
85.08488	0.8
98.97584	13.2
102.96880	0.4
110.97536	0.6
112.07618	0.7
116.07095	1.4
116.48560	0.4
116.98624	4.1
124.00730	0.5
128.98679	0.3
129.10254	0.3
130.08670	1.9
134.99649	0.6
136.00691	0.6
138.02254	1.2
154.01697	1.5
156.03316	1.0
168.03322	1.1
170.06590	0.3
172.02832	1.3
184.02858	0.4
186.04401	5.6
188.02234	0.3
190.03853	1.2
204.05455	4.2
208.04797	0.3
214.03883	5.5
214.07317	2.0
216.98767	0.4
222.06496	0.9
228.05437	54.8
229.05792	0.4
231.08882	0.3
232.04990	1.7
232.08473	2.3
233.16208	0.3
246.06508	23.8
255.10118	0.4
265.08597	0.8
268.05188	0.3
268.94055	0.3
269.08047	1.0
271.11298	1.4
283.06516	0.6
283.09653	9.5
291.22974	0.3
299.12857	0.3
301.10733	24.4
301.14154	1.9
302.10858	0.3
319.11667	0.5
319.15146	0.4
324.12228	0.9
343.07947	0.5
343.11649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01870	6.0
57.03416	6.4
58.06606	59.3
59.06940	9.9
61.02921	3.9
65.03931	4.2
67.01870	4.8
67.05497	2.0
69.03442	3.7
69.69364	3.4
69.69778	8.2
70.06581	2.0
79.05480	5.3
81.03410	7.0
81.07043	5.0
83.04971	2.9
85.02914	16.1
91.05470	4.9
93.03398	11.4
93.07050	3.7
95.01374	2.0
95.04958	5.9
95.08610	4.0
97.02894	13.2
97.30182	2.1
103.03951	13.5
103.05463	3.7
105.03400	2.8
105.07038	2.4
107.04965	9.8
108.87560	2.1
109.02905	9.4
109.03571	1.8
111.04439	4.3
113.61516	1.7
115.05431	5.8
117.06958	2.0
119.04939	7.0
121.02885	17.7
121.06540	4.5
123.04417	4.5
125.05979	2.5
127.03950	3.7
131.04945	14.9
133.02913	3.8
135.04437	18.6
135.08023	3.4
137.05965	5.7
139.03897	11.1
140.04665	4.8
145.02841	3.0
145.06465	4.9
147.04474	8.4
149.02328	5.7
149.05983	7.7
149.13229	1.8
151.03923	19.6
153.05426	4.2
157.06389	2.1
159.04433	27.4
161.06033	3.6
163.03908	22.2
163.07542	2.5
165.05460	2.2
167.03427	7.2
169.06422	3.3
171.04425	2.3
173.06015	5.7
175.03931	32.7
175.07504	1.7
177.05482	42.4
181.04973	94.8
187.03920	29.8
187.07489	1.7
189.05507	4.2
191.03357	9.7
191.07054	6.8
192.08900	4.6
193.04980	77.6
193.06737	4.2
194.07230	2.0
195.06575	1.9
197.06068	3.1
198.79335	1.7
199.04018	3.5
199.05907	1.8
201.05479	17.5
205.04967	77.8
206.06921	2.5
207.06662	2.1
209.09718	2.3
213.05446	6.5
213.88823	2.0
215.06844	2.6
217.05014	5.1
217.47711	1.8
219.06488	24.6
219.08311	3.0
220.08418	4.4
221.04486	5.1
222.06804	4.0
223.05981	100.0
225.05553	5.7
229.04965	4.9
231.06538	6.7
233.08080	2.7
234.06372	3.9
235.06245	2.6
236.07782	2.1
237.08948	3.7
238.09441	11.5
241.04930	3.5
243.06552	6.4
247.06030	74.0
251.06584	2.3
253.04984	4.6
259.06039	20.8
261.07553	3.6
265.08554	12.1
266.08975	34.6
267.06622	3.6
267.09653	6.2
268.06876	6.6
271.05969	12.2
277.07071	42.4
282.08920	2.5
283.09244	12.6
289.07111	51.5
293.08087	3.5
297.11115	5.4
298.11554	40.3
307.08124	16.8
325.09079	15.7
343.10767	21.0
343.17322	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41614	0.6
56.96532	1.5
71.50496	0.8
71.95213	0.7
95.21882	0.6
98.97591	19.4
99.97881	1.3
104.93028	0.7
116.98637	7.4
119.01869	1.1
134.99614	1.8
139.94035	0.6
174.97639	2.1
176.97455	1.1
177.00981	4.6
192.98811	1.2
198.97723	2.6
201.00896	1.3
216.95477	1.6
216.98851	8.7
217.98849	1.3
218.98643	4.1
219.02065	7.7
220.02106	1.0
222.97946	1.3
226.41568	0.7
234.96329	1.9
234.99927	11.6
235.99890	1.3
236.99522	3.7
240.98958	11.4
241.98976	0.8
258.96661	4.0
258.99997	37.8
259.99994	6.0
261.00134	1.1
261.03073	8.9
264.98737	3.5
267.97751	0.8
273.98575	1.3
276.97623	5.5
277.01031	16.3
278.01007	4.5
278.97128	0.9
279.00708	1.2
283.00021	100.0
284.00189	7.0
300.97644	13.6
301.01035	96.4
301.04678	1.4
302.01248	7.1
308.00793	0.7
318.98764	14.6
319.02203	2.9
319.97998	1.6
324.02731	1.7
325.01041	18.6
342.98755	4.8
343.02170	73.3
344.02240	2.7
359.06281	0.8
360.99615	6.8
361.03296	11.0
366.03775	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96647	0.5
53.94294	0.5
56.96568	20.1
56.96849	1.1
57.03441	0.8
66.08616	0.5
69.03433	0.8
70.06598	1.6
70.75153	1.2
71.95267	1.7
72.08175	0.9
72.96065	0.5
81.96104	0.7
81.99705	0.5
84.08149	14.8
84.96036	1.8
85.02899	1.4
86.09715	0.8
87.82921	0.5
97.02894	0.6
98.97589	100.0
102.96873	0.6
107.97618	0.9
110.97575	30.9
112.92277	1.0
112.99127	4.6
113.03516	0.9
116.98623	33.7
125.50052	0.6
125.98657	0.6
128.98615	17.4
128.99573	0.9
129.10281	0.7
130.08667	0.9
130.93306	11.4
131.00192	1.8
131.28767	0.6
132.10143	0.5
134.99669	6.2
138.67592	0.5
140.00285	0.6
140.98628	0.9
144.94894	1.1
146.99678	4.3
148.94353	0.8
150.98145	7.2
152.70180	0.6
152.98589	0.8
154.93340	1.2
158.99667	2.1
162.62128	0.5
167.99669	0.6
168.99220	30.5
170.15802	0.5
170.99661	4.2
172.94362	11.6
174.95961	2.7
174.97559	0.8
177.00751	1.2
182.99684	2.3
186.04428	1.0
187.00282	51.2
189.00714	5.7
190.95404	5.6
198.96043	0.9
200.41457	0.5
201.00670	3.2
204.97076	3.2
205.01346	17.2
206.07086	0.9
207.01823	0.7
208.96477	1.0
211.00282	12.7
211.02182	0.9
212.07686	0.8
214.03862	1.1
214.95374	3.1
216.97009	1.2
217.29453	0.6
219.01759	0.9
222.98180	1.2
223.00208	5.5
228.05418	6.9
229.01332	34.0
230.08817	0.6
231.01764	2.9
232.04875	0.8
232.96446	5.3
234.97997	0.6
241.01335	13.1
243.02823	1.0
246.06598	2.8
247.02388	5.9
249.02930	4.2
250.97568	1.5
253.01321	5.7
259.02295	2.5
260.95892	0.6
271.02402	1.9
272.95999	1.4
274.97610	1.5
282.94489	0.9
283.02487	1.1
283.09720	1.4
290.96973	2.9
300.95486	4.9
301.03470	7.4
301.10672	3.6
301.16132	0.9
302.14484	0.7
307.06985	0.8
308.97882	0.6
318.96432	5.2
319.04489	11.3
320.15683	1.9
336.97757	1.3
337.05487	3.8
342.96487	1.1
343.04510	27.3
360.97528	1.0
361.05624	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	342.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52179	4.1
55.01892	6.5
55.05520	32.8
57.03426	13.4
57.07065	9.0
57.59013	3.9
58.06590	14.2
66.63815	4.4
67.05180	6.1
67.05513	87.6
69.03436	9.4
69.07080	56.9
70.08871	17.1
71.04993	18.4
79.05494	65.2
81.03418	11.7
81.07066	100.0
83.04993	12.2
83.08611	18.6
85.06545	9.7
91.05496	57.3
91.80328	4.1
93.07057	62.2
95.04985	21.4
95.08616	46.2
97.06561	25.1
97.10192	6.9
105.07048	51.5
107.04953	6.9
107.08611	50.0
109.06519	10.6
109.10179	24.4
111.08057	7.4
117.07030	20.6
118.25695	4.2
119.08593	37.8
121.10136	31.4
122.09469	4.7
123.08063	9.5
123.11732	9.1
123.29332	4.5
125.09641	7.4
129.07014	8.6
131.08588	24.2
133.10147	38.7
135.08080	5.6
135.11710	29.7
137.05957	10.1
137.09616	10.0
138.06323	6.9
143.71765	5.5
145.10141	15.8
147.11702	26.8
149.09619	13.1
149.13261	8.1
153.12778	4.6
155.10623	5.3
157.10115	8.3
159.11716	18.2
161.13228	11.4
163.11194	12.0
171.11612	5.4
173.11823	8.7
173.13283	12.8
176.07976	4.4
177.12758	5.0
178.08638	6.7
181.12254	23.9
185.15193	4.3
187.11220	6.8
193.12068	5.3
195.13820	16.3
197.13377	5.3
213.14868	7.5
229.19337	6.9
239.18021	6.2
257.18967	12.7
265.08597	10.4
275.20126	60.3
284.17462	7.3
297.11057	9.5
307.22650	8.2
312.13004	5.2
324.12912	6.0
342.17102	19.9
342.37302	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	342.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32251	0.8
55.01876	0.9
57.03446	6.5
58.06594	2.6
59.05025	0.8
61.02921	2.0
63.09219	0.7
69.03436	3.2
69.52778	0.7
70.06570	1.8
71.04995	2.3
71.08634	1.8
72.08152	0.8
73.02918	0.8
79.05519	0.6
81.03421	1.9
81.07047	3.6
84.08138	1.3
85.02914	12.4
85.06561	0.8
91.05450	0.7
93.07061	0.7
97.02908	4.0
99.04486	1.0
99.08107	12.4
109.02880	1.4
109.06543	1.8
110.07192	3.5
116.07088	1.3
117.09144	100.0
124.03973	2.2
127.03936	2.4
127.07578	3.7
132.01195	1.3
137.05989	4.6
141.05490	2.9
145.04985	2.7
151.03894	1.7
160.79576	0.7
162.05569	0.8
163.03888	5.9
163.09676	17.0
180.06569	20.9
180.08636	2.1
180.10091	1.0
181.05043	0.9
181.39899	0.6
192.03288	1.1
237.09656	0.7
254.30862	0.9
259.05179	0.7
271.93280	0.7
342.11990	2.2
342.17654	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	342.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	7.7
57.03437	1.1
57.03735	0.8
57.07088	11.2
58.06607	33.6
59.04986	1.0
61.02925	1.4
69.03416	3.9
69.69661	5.3
70.06594	5.6
79.05520	2.1
81.03422	1.8
81.07066	2.9
83.08621	4.0
85.02446	1.2
85.02916	15.6
86.09698	1.5
89.06038	33.1
93.07070	1.2
95.08596	1.1
97.02921	4.4
97.06550	1.1
98.94862	0.8
101.09663	14.6
101.54458	0.9
105.07011	1.0
107.07081	32.4
107.08589	1.8
109.02905	1.0
111.08085	3.5
116.07104	1.3
121.02907	1.1
121.10139	1.2
123.11726	2.4
127.03957	1.5
137.05974	3.4
143.09274	0.8
145.05034	2.0
147.00661	1.0
152.09776	0.9
163.06340	2.0
163.13313	100.0
165.12733	1.1
172.04242	1.4
172.58208	1.0
175.07539	2.2
177.12793	0.9
178.08658	17.6
178.31239	0.9
179.08633	0.9
182.59540	0.8
186.73378	0.8
190.07782	1.1
191.08556	3.9
194.07343	1.8
195.11218	1.4
205.06511	3.3
207.08057	2.6
209.09627	2.7
209.15457	0.9
215.03487	0.9
219.08151	2.3
222.06714	4.9
223.07593	1.1
233.05966	4.4
235.07646	2.4
236.08339	4.1
237.09160	7.8
239.07088	1.3
247.07607	2.0
248.08316	4.6
250.06406	1.8
251.10716	0.9
264.07751	4.2
265.08612	25.7
266.09189	1.6
267.06537	1.3
267.10318	0.9
268.06973	1.1
279.10199	9.0
280.11029	2.1
281.08145	3.0
282.08902	6.0
283.06058	3.7
296.10333	2.1
297.07614	13.2
297.11249	26.6
298.11874	1.1
299.12814	2.5
310.20169	5.9
311.12711	7.0
314.07364	1.3
324.05969	1.1
324.21732	6.2
325.07178	3.6
342.07367	1.8
342.17035	64.5
343.08167	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	342.1703
Annotation	(R,R)-pavine
Peak:m/z	Relative Intensity
56.05034	0.7
57.05812	0.5
58.06605	31.5
59.08565	0.4
60.04524	1.5
69.03413	0.7
69.07049	0.6
70.06597	10.2
71.07365	0.7
71.52876	0.4
72.08162	32.6
72.51575	0.3
75.46801	0.3
79.05526	0.5
81.07065	0.6
84.08151	0.6
85.02893	2.1
86.09707	2.2
88.04010	0.4
88.07607	0.6
93.07045	1.3
95.04971	0.5
97.02885	0.6
105.07023	0.6
107.04939	0.6
108.15430	0.3
110.07172	0.8
111.05563	0.3
112.08713	0.5
117.09123	0.7
121.10149	0.7
123.80257	0.4
124.03981	1.7
131.08545	0.4
131.56805	0.3
137.05986	0.6
139.05008	0.7
142.43784	0.4
145.05017	0.4
149.09624	0.8
150.09978	1.2
151.03928	1.2
160.07565	0.5
163.03935	0.6
165.06989	0.9
175.44928	0.3
179.03427	0.4
179.08496	0.5
180.03741	0.9
180.10149	0.4
181.05099	0.6
181.06508	2.1
183.08055	1.1
191.08606	0.4
194.07222	0.7
195.11363	1.7
197.06129	0.4
200.08322	0.7
205.06554	2.6
207.08034	0.4
209.05998	1.1
209.09630	0.5
211.07591	2.6
212.08376	1.2
213.09109	1.1
215.10681	0.9
222.06818	1.2
223.07698	0.4
227.07104	0.8
228.07881	1.5
233.05983	1.7
234.06750	0.5
237.09111	4.7
239.07184	0.8
241.08495	0.7
243.10199	4.3
250.06342	0.5
251.07120	1.0
254.09508	1.3
255.06699	0.5
261.09100	0.5
265.08633	7.3
266.09283	2.2
267.06601	1.0
269.08270	0.5
270.09030	0.7
271.09641	3.2
282.08893	2.8
283.69247	0.6
297.11179	3.9
307.18378	0.5
324.15851	0.7
324.21927	0.5
342.17047	100.0
342.21869	3.7
343.17410	2.2
347.88660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1701
Annotation	Secocularidine
Peak:m/z	Relative Intensity
58.06606	42.7
61.37469	0.6
70.66241	0.7
70.66585	1.6
72.08161	0.7
95.72805	0.6
97.46123	0.7
107.33980	0.7
111.05344	0.7
137.05969	2.8
138.06308	1.8
166.07773	0.7
177.07045	1.9
179.08571	0.8
181.10135	0.9
188.07848	1.1
189.06964	0.9
190.07822	0.8
191.08571	6.2
194.07304	3.8
204.05646	0.9
205.06494	15.9
206.07016	1.0
207.08154	1.7
209.09604	2.9
219.08054	3.2
222.06789	10.6
223.07379	1.5
232.73367	0.7
233.05988	20.9
234.06693	1.3
235.07513	2.3
236.08191	0.9
237.09116	20.8
238.09354	0.7
239.07013	2.4
247.07524	2.1
250.06332	5.9
251.06967	1.6
254.09424	1.3
264.07669	0.8
265.08615	89.9
266.09155	2.8
267.06485	3.1
267.10193	0.9
269.15164	0.8
279.10162	1.3
280.10593	1.0
282.08878	10.3
292.10449	1.7
297.11230	64.4
299.12781	1.3
324.12564	1.0
342.17035	100.0
343.17383	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	342.1703
Annotation	Secocularidine
Peak:m/z	Relative Intensity
52.01503	0.4
58.06609	51.3
63.02434	0.4
66.41482	0.4
69.31438	2.0
69.31870	1.9
91.05489	0.9
97.76889	0.5
98.21554	0.9
119.04929	0.6
143.71106	0.5
144.15970	0.5
151.07626	1.1
163.06339	2.9
165.07013	0.6
166.07802	0.7
178.08670	19.4
179.08644	1.0
181.06662	0.6
181.10068	0.8
189.07059	0.8
191.08554	4.7
194.07269	1.5
195.08020	0.9
205.06490	3.0
207.08110	3.1
208.08919	1.1
209.09665	2.8
219.08066	4.0
221.05980	0.9
222.06808	5.7
223.07501	0.8
227.31755	0.6
233.06046	3.4
235.07614	2.2
236.08372	1.9
237.09117	7.7
239.07040	1.6
242.89075	0.5
247.07634	1.7
250.06310	1.2
251.07053	1.5
251.10753	0.5
263.06921	0.6
265.08633	27.6
266.09366	2.7
267.06525	2.5
267.10153	0.7
279.10233	1.1
282.08896	10.8
284.10483	0.6
297.11249	34.0
298.11652	0.9
299.12820	3.6
311.12796	0.7
329.27969	0.5
342.17050	100.0
343.17297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
53.03961	3.2
55.01871	0.7
55.05517	6.1
56.26295	0.4
58.06356	0.7
58.06609	11.3
67.05481	0.7
70.43191	1.1
70.43584	1.1
71.04993	1.9
77.03948	1.1
79.05479	1.3
81.03423	1.2
81.07072	1.5
83.04986	4.2
85.02920	0.6
91.05507	3.1
93.07045	4.9
95.04981	3.2
95.08627	0.7
97.02906	0.5
103.05488	2.8
105.03404	100.0
105.04555	2.6
105.07019	1.8
106.03719	0.6
107.04997	0.6
107.08653	0.9
109.10196	0.6
111.04379	0.5
117.03436	0.6
117.06988	0.7
119.08672	0.7
120.08986	0.6
121.06519	47.4
122.03668	0.9
122.06091	1.0
127.03886	0.5
129.07054	1.7
130.07326	0.7
135.03537	0.6
135.04472	2.1
135.08096	2.3
136.04767	0.9
137.05994	6.6
138.06340	4.6
140.53548	0.5
142.07794	1.4
145.02806	0.6
145.06458	2.1
151.07544	0.7
167.03395	0.9
167.08434	0.6
168.03830	0.7
169.06593	0.6
170.07256	1.3
173.09576	0.5
175.07503	1.3
176.07941	1.2
177.05470	3.4
178.08636	3.0
180.06578	1.2
181.05037	1.0
185.09634	5.9
187.07632	1.8
188.07976	1.6
190.07869	0.6
191.08542	1.2
199.07558	0.6
203.10681	1.1
204.08899	1.0
205.06519	1.5
207.08017	0.7
209.09621	0.8
218.08997	1.3
219.08090	1.6
222.06796	1.5
223.07558	0.6
226.14464	0.6
232.08549	1.3
236.08260	0.8
237.09125	2.7
242.11790	50.3
243.12244	0.7
244.15529	1.9
248.08217	1.6
249.08751	1.2
251.07036	0.7
264.07877	0.7
264.11224	1.6
265.08640	8.4
266.09317	1.2
266.11859	3.3
267.06775	0.7
271.09540	1.5
279.10376	0.7
280.10562	1.1
282.08948	3.3
292.10733	1.9
293.11581	0.7
297.11215	9.9
299.12744	1.1
306.14987	2.2
312.13254	2.4
324.13132	3.7
342.10397	1.2
342.17157	23.8
343.17410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1702
Annotation	Secocularidine
Peak:m/z	Relative Intensity
57.02248	0.4
57.02538	0.4
58.06609	81.1
61.22712	0.4
70.04295	1.6
72.77305	0.4
159.34325	0.4
165.07054	1.0
166.07837	0.9
167.08598	0.8
177.07246	0.5
178.07759	0.5
179.08562	2.6
181.06520	0.8
181.10187	1.7
188.63445	0.5
189.07092	0.8
190.07851	1.1
191.08562	7.8
193.06583	0.6
194.07341	2.7
195.08119	1.0
198.64536	0.4
205.06546	3.0
207.08086	5.9
208.08899	1.8
209.09621	4.1
218.07356	0.9
219.08078	6.1
221.05966	1.2
222.06760	9.1
223.07652	1.6
224.08368	0.6
232.05437	0.5
233.06015	2.7
235.07553	2.6
236.08383	1.5
237.09148	11.7
239.07031	1.9
247.07573	2.0
248.08231	0.4
249.05629	0.7
250.06259	2.1
251.07103	1.0
251.10686	0.7
253.08672	0.8
255.10199	0.8
263.07037	0.9
264.07877	0.9
265.08630	34.9
266.09332	1.3
267.06604	3.6
267.09747	0.7
269.11768	0.8
274.14014	0.4
279.10220	1.5
281.11893	0.5
282.08902	13.8
284.10516	1.8
297.11255	41.9
298.11621	0.6
299.12842	5.2
311.12820	0.7
313.14386	0.5
342.17053	100.0
343.17383	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1703
Annotation	(R,R)-pavine
Peak:m/z	Relative Intensity
53.03944	0.7
53.58876	0.6
58.06606	5.0
69.85590	2.3
70.06606	0.7
79.05501	8.4
81.07059	1.0
85.02927	0.6
89.03918	4.4
91.05511	1.2
95.04977	1.1
96.44453	0.4
97.06531	0.9
97.52411	0.4
103.05489	5.8
105.07046	27.3
107.04989	0.6
107.08596	0.9
111.54546	0.6
117.03397	18.3
120.05749	3.7
134.03651	1.1
135.08069	74.0
136.08430	0.7
137.05988	2.6
138.06300	1.1
145.02861	49.2
146.03151	0.7
149.06007	6.4
150.69310	0.5
158.06120	0.6
163.03986	0.8
166.12280	7.7
177.05489	100.0
178.05826	0.7
178.08662	1.8
179.08650	0.5
186.05528	2.3
187.07596	0.8
188.07869	0.8
192.10291	1.0
219.07964	0.5
222.06761	0.6
237.09146	1.5
237.89886	0.5
265.08566	2.8
266.54324	0.6
282.08966	0.8
292.10651	0.7
297.11188	3.7
297.91318	0.5
312.13287	0.8
324.13287	0.8
342.17053	59.0
343.17300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1702
Annotation	Secocularidine
Peak:m/z	Relative Intensity
55.39408	0.6
58.06606	62.5
70.06584	2.1
70.96378	1.0
72.08131	0.7
86.09705	3.1
91.05442	0.7
92.15706	0.5
107.57853	0.6
116.07111	2.1
137.06006	2.0
138.06352	1.5
165.07045	0.7
166.07797	0.8
174.36403	0.5
179.08562	2.2
181.10118	0.8
187.07520	0.8
188.07913	1.0
191.08546	6.2
194.07312	2.5
199.18048	0.8
205.06534	2.4
207.08041	3.6
208.08800	0.9
209.09734	3.1
211.07518	0.6
218.07214	0.9
219.08081	5.0
220.08391	0.8
222.06792	7.2
223.07559	1.4
224.08125	0.6
227.17570	0.6
233.05998	2.8
234.06734	0.7
235.07622	2.9
236.08336	2.0
237.09145	9.3
239.07138	1.2
247.07587	1.7
249.05562	0.7
250.06310	2.1
251.07005	0.6
251.10826	0.7
263.06967	1.0
264.08014	0.7
265.08615	32.6
266.09198	1.1
267.06567	2.1
267.09607	0.5
271.09454	0.7
279.10162	2.4
280.10773	1.3
282.08893	11.6
284.10406	1.8
292.10510	1.2
297.11243	36.4
297.66000	0.5
298.11209	0.7
299.12759	4.0
302.15219	0.6
311.12854	2.0
312.13367	1.1
324.13266	1.3
342.17029	100.0
343.17371	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.7
55.01865	0.6
55.05530	0.5
58.06606	69.8
69.07045	0.6
69.25893	2.2
69.26314	3.0
69.31437	0.6
70.06613	3.4
72.08150	2.3
76.16279	0.6
79.05474	0.7
81.07052	0.7
84.08138	0.9
85.02847	0.6
86.09705	5.2
91.05492	1.3
95.06081	0.7
98.97606	0.7
107.04964	1.5
109.06534	0.8
116.05758	0.6
116.07146	2.9
119.05023	0.8
122.03659	1.9
123.04027	1.3
128.06256	0.7
129.07014	1.9
130.07346	1.7
131.08650	0.8
132.08894	0.7
137.05994	23.3
138.06329	15.2
147.04442	1.3
148.04796	1.0
149.06006	0.8
151.03972	0.7
152.07942	1.3
155.08119	0.7
157.06361	0.8
158.06876	1.1
160.05237	0.5
166.07765	0.9
167.08601	0.8
172.05238	1.8
173.05519	0.7
174.06802	2.6
175.07104	4.3
176.07933	2.1
178.07632	0.8
179.07036	0.6
179.08563	1.7
180.07358	0.8
181.06624	0.6
181.10110	0.9
187.07582	7.9
188.07890	12.8
189.07346	0.6
189.09111	3.5
190.07703	1.8
190.09502	3.5
191.08578	6.6
192.08913	1.6
193.06505	0.6
194.07336	0.8
195.08011	0.9
199.07478	1.0
199.17929	0.6
200.07961	1.6
203.06572	0.8
203.08359	1.0
204.08893	3.2
205.06543	2.8
206.06917	0.7
207.08035	4.0
208.08881	1.7
209.09631	3.7
211.07355	0.7
212.07939	1.3
217.08609	4.9
218.07050	0.7
218.08986	10.2
218.10846	1.1
219.08049	5.8
220.08443	4.0
221.06030	1.0
221.09274	1.8
222.06778	7.2
223.07590	1.6
231.07845	1.0
232.08392	3.8
233.06021	1.8
233.09242	1.3
234.06541	0.9
234.09970	1.1
235.07568	2.6
236.08209	2.8
237.09099	12.6
238.09573	1.1
239.07034	2.0
240.07516	1.5
241.08177	0.8
247.07602	2.2
248.07872	2.8
249.08672	4.9
250.06255	1.9
250.09256	0.5
251.07011	1.3
251.10558	1.3
252.11174	1.7
253.08745	1.1
254.09036	1.0
256.07001	0.7
260.07950	2.1
261.08841	1.3
262.09528	1.6
263.07108	0.8
263.10507	0.8
264.07706	2.1
264.11096	4.8
265.08618	30.8
266.09039	2.8
267.06613	2.3
267.10095	1.0
271.09460	1.2
272.09973	3.2
277.08231	2.2
278.09073	1.8
279.10156	3.2
280.10449	6.5
281.11380	1.3
282.08875	13.8
284.10455	2.8
292.10486	11.6
293.11151	0.8
294.08466	2.4
294.11713	0.6
297.11215	41.2
298.11575	1.2
299.12720	4.7
309.10880	1.4
311.12680	1.3
312.13150	10.0
324.13220	17.2
333.12000	1.0
342.17099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3206
Annotation	stellata-2,6,19-triene
Peak:m/z	Relative Intensity
53.03956	1.5
55.05513	10.7
57.07081	8.6
58.06605	13.0
61.40684	1.1
65.03951	1.1
66.17478	1.1
67.05509	16.8
69.07073	39.3
71.08627	1.3
71.52943	1.8
79.05507	9.9
81.07064	68.9
83.08623	15.1
91.05482	8.8
93.07049	24.2
95.04967	1.1
95.08617	72.6
97.10172	5.0
105.07047	22.1
107.04987	1.6
107.08604	28.0
109.10164	44.8
111.11728	3.7
114.55353	1.1
115.05479	2.0
117.07021	1.3
119.08585	28.0
121.09328	2.2
121.10155	31.1
123.11718	27.1
125.13298	1.6
131.08559	5.4
133.10144	18.8
135.11714	24.8
137.06010	2.3
137.13263	26.0
138.46825	1.1
145.10141	8.0
146.48721	1.2
147.11685	22.8
149.13257	21.2
151.14838	7.4
157.10112	1.5
159.11685	9.1
161.13274	13.5
163.14830	9.8
165.16412	1.6
167.07098	3.8
167.08649	1.8
169.10191	1.1
171.08075	1.7
173.13268	6.9
175.14796	9.0
177.16405	11.4
181.08615	1.5
187.14838	5.0
189.16400	21.0
191.07196	1.5
191.17964	15.7
197.09708	2.6
198.16656	1.3
201.16403	6.0
203.17984	24.0
205.19518	6.5
207.10144	1.6
209.09612	1.5
211.07719	1.3
211.11299	1.2
215.17995	5.1
217.08740	1.2
217.19516	12.9
219.10097	1.9
227.10609	2.1
229.19580	5.2
231.10304	1.8
231.21068	7.2
233.22725	1.6
239.10609	1.5
243.21117	3.7
245.22723	3.2
253.12305	1.7
257.11731	3.8
257.22559	5.7
259.13287	2.4
259.24170	6.2
265.08667	3.0
271.13190	1.3
271.24292	4.4
272.14047	4.6
281.19058	1.5
285.14941	2.7
285.25677	8.2
286.19278	1.1
291.09863	1.5
296.25919	1.4
297.11169	2.3
299.16620	1.1
299.27325	2.2
309.18512	3.1
341.21133	27.5
341.32059	100.0
342.16983	5.8
342.32352	3.1
354.03473	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80166	7.2
51.71019	6.8
55.05507	20.4
57.03434	8.6
57.07076	34.2
58.06597	21.0
60.95426	7.4
63.04631	7.2
67.05502	42.4
69.07068	29.3
71.05006	16.0
71.08640	31.4
71.52001	7.4
71.52526	11.4
79.05505	29.1
80.86443	10.3
81.07069	86.8
83.08624	15.0
83.95335	7.9
85.06564	14.2
85.10197	10.5
91.05486	29.2
93.07040	66.6
94.04226	9.8
95.08621	80.3
97.06522	10.4
105.07043	42.3
107.08570	55.6
109.06523	12.2
109.10170	36.6
111.08099	20.5
119.08586	82.4
121.10167	55.0
122.03608	11.6
123.11726	24.5
125.37307	9.1
129.07008	13.5
131.08598	19.3
133.10141	25.1
135.04443	27.3
135.11728	34.0
137.05984	100.0
137.09598	7.9
140.44217	7.9
141.94264	8.9
145.10156	16.9
147.11687	18.1
149.13284	26.6
151.07640	10.5
157.10153	14.5
159.11685	41.7
161.13332	17.0
163.14865	24.4
165.05498	15.0
171.11664	15.1
173.13283	20.0
175.07568	12.2
175.14772	12.5
179.45573	9.2
181.27222	7.8
185.13293	8.9
187.07587	28.0
187.14899	30.9
189.09160	16.6
189.16431	18.3
191.17973	32.5
199.14841	9.2
201.16463	20.3
203.08537	12.6
203.17929	16.5
211.07568	16.7
213.54787	8.0
215.17905	11.8
217.08632	18.9
220.08868	9.2
227.07141	22.6
229.19562	8.8
231.08189	15.4
248.08452	18.7
255.06499	18.8
256.07422	7.8
259.07526	12.0
263.10751	19.5
270.08835	46.9
271.09692	35.2
279.10153	10.7
283.09735	12.3
283.24194	41.9
291.10120	61.5
311.12720	11.3
323.12808	60.8
323.27377	40.8
341.13901	32.9
341.26855	40.2
341.30545	30.2
342.17224	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	341.2691
Annotation	Officinoic acid A
Peak:m/z	Relative Intensity
53.46226	2.0
55.05298	2.2
55.05516	20.3
57.07069	7.7
58.06611	14.7
59.04999	2.6
60.08144	2.1
67.05483	3.2
69.03419	5.9
69.07072	57.0
70.02309	9.8
70.46545	2.4
81.07047	8.3
83.08623	24.7
87.04454	6.4
91.05442	2.3
93.07041	6.9
95.08617	7.8
96.63255	2.1
97.06532	2.9
97.65747	2.2
105.07005	3.0
107.08588	4.2
109.10168	6.3
119.08589	4.1
120.54916	1.9
131.08554	2.4
135.11714	2.6
153.12766	100.0
171.13841	13.3
173.61784	2.3
173.66057	2.0
195.58572	2.1
201.26292	2.2
203.60703	2.2
210.57555	2.1
233.39105	2.4
255.21086	2.7
265.08762	3.2
297.11121	2.7
315.22107	2.0
341.21173	2.2
341.30466	3.7
341.39661	7.7
342.17096	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	341.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10475	4.8
55.05521	23.2
57.07066	19.6
58.06618	27.8
61.29379	4.2
67.05510	23.3
69.07072	37.1
70.58218	10.3
70.58607	8.8
71.04991	19.7
71.08652	10.8
74.73853	4.8
75.33475	5.3
79.05504	23.1
81.07067	66.0
83.08658	24.4
85.06567	7.5
85.10168	5.8
91.05497	25.0
93.07053	90.9
93.24989	4.3
95.08617	94.1
97.06549	7.8
97.10239	10.3
105.07029	39.3
107.08600	84.9
109.06533	11.5
109.10164	74.4
111.08099	25.5
111.11723	4.7
113.09679	15.5
117.07011	9.0
118.98035	5.9
119.08599	56.8
121.10154	68.3
123.08070	4.3
123.11718	26.6
129.07039	6.5
131.08569	25.4
133.10135	39.9
135.11707	68.7
137.09636	7.7
137.13298	8.3
143.08559	9.5
145.09006	7.4
145.10106	43.2
147.11662	35.8
149.13290	26.3
151.11130	7.4
157.10153	18.6
159.11708	26.5
161.13278	25.4
163.14864	17.2
171.11725	10.0
173.13301	24.4
175.14848	20.0
177.16417	7.7
183.11655	6.8
185.13290	19.4
187.14874	26.7
189.16422	23.7
191.17973	87.1
197.13292	8.3
199.14793	11.3
201.16426	21.8
203.17958	13.0
206.10490	4.3
213.16446	21.2
215.17944	12.2
225.16385	9.0
227.17970	16.7
229.19490	11.2
239.17877	5.8
241.19444	8.0
253.19528	6.8
257.22739	30.3
265.08597	6.6
267.21167	11.3
281.22559	7.0
283.24222	48.7
297.11292	6.6
297.25729	5.6
323.27411	48.5
341.21814	9.3
341.28369	100.0
341.39679	8.3
342.17065	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	341.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.05513	16.6
57.07065	10.3
58.06609	18.4
61.27861	2.3
65.03931	2.6
67.05509	27.7
69.07081	29.0
69.42897	17.6
71.05000	20.3
71.08639	4.0
75.43594	2.3
79.05493	18.8
81.07066	53.8
83.05006	3.6
83.08605	12.2
85.06548	4.4
91.05482	19.2
93.07054	73.3
95.04978	6.5
95.08615	90.9
97.06583	3.9
97.10177	8.6
98.03126	2.3
98.21492	3.4
105.07041	36.9
107.08607	71.3
109.06543	6.8
109.10172	61.4
111.08090	27.9
111.11741	3.8
113.09644	10.0
116.19866	2.2
117.07025	9.2
117.65849	2.7
119.08595	44.0
121.06510	8.3
121.10161	62.8
122.06822	4.4
123.11710	21.0
129.06987	4.3
131.08591	20.0
133.10139	37.7
134.10477	3.5
135.08105	5.2
135.11713	57.3
137.09615	8.2
137.13341	5.8
143.08582	8.4
145.10150	30.6
147.11682	25.8
149.09644	17.8
149.13280	25.8
150.09976	12.4
151.11201	6.6
153.12714	2.9
157.10101	14.1
159.11716	35.1
161.09633	10.0
161.13264	22.7
162.10030	4.3
163.11256	3.3
163.14844	9.8
164.11964	7.0
165.12341	4.6
169.10199	7.4
171.11682	12.3
172.95566	2.9
173.13266	19.7
175.14835	16.2
177.12746	17.7
177.16446	4.5
178.13071	14.2
182.49054	2.3
185.13286	12.8
187.14795	27.1
189.16403	15.4
191.17975	83.4
197.13203	4.0
199.14885	9.4
201.16417	12.9
203.17961	7.6
211.14851	3.3
213.16394	15.4
215.18024	11.0
217.19479	3.3
225.16518	5.5
227.18080	15.0
229.19572	10.2
231.21114	5.3
239.17990	5.4
241.19441	11.3
253.19574	7.0
255.20897	2.8
257.22620	27.7
259.20581	2.7
265.08691	4.5
267.21115	5.8
270.23187	2.4
271.20627	4.2
281.22815	3.0
282.08893	2.9
283.24243	39.8
285.18079	7.4
290.35599	2.6
296.25708	2.9
297.11319	4.2
323.27374	33.7
341.24673	4.8
341.28442	100.0
341.39835	8.5
342.17062	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	341.1387
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
57.88807	0.8
58.06591	2.6
67.55263	0.8
68.34405	0.8
69.37820	4.4
69.38223	2.3
71.04975	1.1
73.61063	1.0
77.43095	0.9
79.05488	1.9
81.07046	1.6
84.08148	1.6
91.05466	2.4
91.48153	1.0
94.04184	4.0
95.04987	1.3
100.40022	0.9
103.05481	0.9
105.06969	1.3
107.04941	3.2
109.06521	3.3
111.04449	1.3
115.05443	1.3
119.04967	1.6
122.03664	7.7
122.40128	0.8
125.06007	1.2
128.06226	3.7
129.07013	12.2
131.04939	2.4
133.02818	2.0
137.05991	100.0
144.05708	5.4
145.06453	1.6
146.07262	1.7
147.04419	2.2
149.05983	2.2
150.79851	0.8
151.03886	2.2
151.07576	4.3
153.05440	1.4
156.05716	1.7
157.06523	7.3
158.07251	2.8
160.05235	2.4
161.05925	1.5
163.07520	1.3
165.05479	1.2
165.06853	1.2
165.33716	0.8
167.04883	1.0
171.08066	2.4
172.05161	7.6
173.05943	1.1
174.06789	19.7
175.07562	7.3
177.05453	1.1
177.09111	1.0
179.07033	1.2
181.06477	1.0
187.07559	64.2
188.08290	2.9
189.07303	0.9
189.09125	23.5
190.07785	1.3
191.07024	1.4
191.08556	4.7
196.05177	2.0
199.07550	8.4
201.07077	0.9
202.07799	2.7
203.08577	12.0
205.06487	2.3
207.08093	1.5
208.08838	3.8
211.07559	3.7
215.08688	1.0
217.08614	38.9
218.07283	2.4
218.46950	0.8
219.08090	11.1
220.08746	4.0
221.05917	1.5
221.09575	1.3
225.09090	1.6
227.07072	2.1
231.08098	11.6
232.08842	3.7
233.05991	2.1
233.09630	2.3
234.06833	1.0
235.07614	2.4
235.11179	1.1
236.08411	6.6
237.09082	3.8
239.07100	2.7
240.07773	2.4
245.09689	1.3
247.07585	11.7
248.08345	17.5
249.05220	0.9
249.09123	2.6
249.28839	0.9
250.06311	1.8
251.10728	7.5
253.08597	3.9
255.06406	1.3
256.07321	1.6
259.07617	5.7
260.08322	1.5
261.09131	4.2
262.05997	1.0
262.09930	1.8
263.07513	1.8
263.10699	13.7
264.07925	4.7
264.10260	0.9
265.08652	8.5
269.08032	1.4
270.08832	2.3
271.09692	13.4
276.07843	9.0
277.08652	5.9
278.09372	1.4
279.10175	20.1
280.10809	3.0
281.08231	4.7
283.09534	2.8
285.11151	0.8
290.09421	1.1
291.10175	34.7
292.10861	3.4
293.08148	8.6
295.09802	1.1
296.10446	12.6
297.11310	4.2
308.10364	6.2
311.12799	28.5
313.14255	1.9
323.12796	43.1
341.13910	13.4
342.16907	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
50.17571	1.2
56.54912	1.3
58.06590	4.0
69.18296	10.9
73.54917	1.1
79.05510	3.5
87.95053	1.4
91.05480	7.0
94.04185	2.5
96.38962	1.1
97.02917	1.2
98.20788	2.0
103.05479	11.5
104.96554	1.2
105.07045	12.4
107.04948	1.8
115.05458	4.4
117.07012	1.4
118.04236	1.2
119.04939	3.6
119.08596	2.1
122.03647	7.1
122.69685	1.3
123.04417	1.4
128.06212	2.9
129.07021	9.1
131.04924	12.9
131.08542	1.9
131.44562	1.3
132.05653	1.8
133.06503	9.9
137.05991	100.0
143.04913	1.2
143.06053	1.5
144.05701	1.8
146.07260	2.2
147.04419	5.1
147.08005	3.1
149.05956	1.5
151.03876	2.3
151.07553	3.9
157.06506	4.1
158.07280	2.1
159.08095	2.8
160.05264	2.6
160.35429	1.2
161.04668	1.6
161.05997	20.0
162.06741	1.4
163.07573	13.8
172.05180	6.7
174.06760	7.1
175.07564	24.7
177.05472	1.4
179.07007	1.7
179.08589	1.2
187.07556	38.0
189.07487	2.2
189.09105	9.3
190.07774	2.6
191.08594	6.2
199.07570	4.8
202.07787	3.1
203.08568	7.0
205.06555	2.2
207.51778	1.3
211.07455	2.8
217.08595	18.0
218.07283	2.2
219.08093	12.2
220.08842	2.8
225.09081	1.3
231.08020	8.8
233.09735	1.5
235.07594	1.8
236.08359	4.6
237.09108	3.8
240.07756	1.8
247.07590	8.0
248.08374	10.0
249.08926	2.0
251.10730	12.3
253.08617	2.2
259.07590	4.8
260.08380	1.5
261.09125	2.3
263.10669	8.0
264.07843	3.6
265.08606	10.3
270.08893	3.9
271.09601	6.4
276.07849	3.9
277.08627	3.2
279.10175	18.8
280.10928	1.8
281.08063	3.3
281.11575	1.1
282.08881	1.8
291.10162	19.1
292.11145	1.9
293.08032	2.4
295.09677	1.4
296.10327	5.4
297.11166	5.5
308.10361	3.7
309.11285	8.0
311.12820	25.9
323.12799	24.8
341.13821	16.7
342.17038	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	341.1387
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
58.06586	2.6
61.10109	1.1
66.04716	1.4
69.07095	1.4
69.42422	5.0
69.42838	2.3
71.04997	2.9
71.65524	1.1
76.58214	1.1
79.05515	1.4
81.07053	2.6
86.09665	1.0
89.03928	1.3
91.05472	4.5
94.04196	2.5
95.04982	1.3
97.87109	1.0
103.05457	2.0
105.03406	2.7
107.04939	1.6
109.06494	2.9
115.05446	2.0
117.07067	1.1
117.18576	1.0
119.04941	1.8
119.08559	1.7
122.03678	8.1
126.18206	1.1
128.06238	1.7
129.07018	8.0
131.04933	4.4
131.08549	1.2
133.02873	3.9
135.04387	7.9
137.05986	100.0
144.05730	3.5
145.06427	1.7
147.04376	3.1
149.05974	3.0
151.03906	2.6
151.07555	4.6
153.05446	2.4
157.06483	4.7
160.05241	3.5
161.06017	3.2
163.07564	3.0
165.05670	2.1
165.07008	1.2
171.08055	1.6
172.05197	3.0
173.05957	2.0
174.06830	7.6
175.07553	17.4
177.05458	5.7
177.06805	1.4
177.09125	3.5
178.08658	3.2
179.07190	2.3
187.07568	38.1
188.08350	1.2
189.09126	12.5
191.08578	3.1
195.08032	1.1
196.05199	3.2
197.06110	1.5
199.07506	5.5
202.07779	2.9
203.08597	11.7
205.06528	2.3
208.08809	1.8
211.07581	14.4
212.04646	1.5
213.05423	1.5
217.08612	14.3
217.76656	1.2
219.08092	10.3
220.08875	5.6
225.05571	2.2
227.07045	15.2
228.07762	3.4
231.08043	11.2
232.08778	3.4
233.05991	3.1
233.09615	2.7
235.07518	2.6
236.08232	2.6
237.09192	2.5
239.07043	9.0
240.07826	8.4
241.04984	1.5
241.08640	2.5
245.09470	1.3
247.07568	7.1
248.08374	18.2
249.09064	3.6
251.10703	7.4
253.08583	1.9
255.06583	12.5
256.07431	5.7
259.07538	3.6
260.08444	2.4
261.09201	1.9
262.09946	1.8
263.10678	12.4
264.07739	3.4
265.08609	7.0
268.07391	2.8
269.07889	1.7
270.08884	28.0
271.09683	30.0
276.07852	9.3
277.08694	5.7
279.10202	12.3
280.10748	2.4
281.08099	2.0
281.11703	1.6
283.09732	6.6
291.10168	41.5
292.10886	3.6
293.08118	5.8
293.11099	1.5
295.09705	1.9
296.10504	7.8
297.11188	5.0
308.10379	4.7
309.11118	2.1
311.12805	15.4
313.14175	3.1
323.12787	41.9
341.10199	2.2
341.13831	23.8
342.17044	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	341.1387
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.61609	0.9
55.01873	1.3
58.06594	5.2
69.37256	8.4
70.06612	1.4
71.04980	1.3
79.05488	3.1
81.07081	1.9
83.66203	1.0
86.09703	1.6
91.05480	6.8
93.03403	1.0
93.07054	1.3
94.04215	3.3
95.04984	1.1
103.05465	1.4
105.07040	5.0
107.04963	1.6
107.08599	1.2
109.06509	2.3
111.04428	2.2
115.05451	3.1
117.07069	1.8
119.04987	2.3
119.08625	2.1
122.03654	7.8
123.04421	1.3
125.05987	1.8
128.06216	2.3
129.07014	9.3
131.04948	2.8
131.08582	1.3
133.01947	0.9
133.02875	3.9
133.06473	3.8
137.05994	100.0
143.08643	1.7
144.05692	3.8
145.06491	1.9
146.07289	1.3
147.04395	2.2
147.07971	1.6
149.05986	2.2
151.03925	4.1
151.04970	1.3
151.07489	4.9
153.05484	1.6
155.04927	1.1
157.06528	6.8
158.07297	1.6
160.05247	2.3
161.06018	7.2
161.09637	1.2
163.03880	1.6
163.07535	2.7
165.05562	1.2
167.07014	1.3
171.08081	1.3
172.05199	7.2
173.06029	5.1
174.06798	11.9
175.07579	17.8
177.05530	1.7
177.09070	1.2
178.08714	2.0
179.07069	2.0
184.05121	1.1
187.07564	44.5
188.08234	1.3
189.07304	2.0
189.09099	17.0
190.07755	1.4
191.08556	6.3
199.07576	5.4
202.07841	2.7
203.08578	9.4
205.06544	2.9
208.08913	1.6
211.07602	5.5
217.08604	27.5
218.07402	2.1
219.08075	13.1
220.08813	4.8
221.05954	1.5
222.06689	1.3
225.09297	1.3
227.07054	1.7
231.08102	10.1
232.08809	2.9
233.05971	2.2
233.09595	2.5
234.06786	1.3
235.07619	2.6
236.08366	4.2
237.09145	2.8
238.06192	1.1
239.07071	3.2
240.07869	2.3
245.09685	1.2
247.07556	9.1
248.08356	13.3
249.09053	2.2
250.06079	1.5
251.10739	9.3
253.08617	2.6
256.07410	2.0
259.07581	4.0
260.08365	2.6
261.09122	3.0
263.07437	1.5
263.10666	11.2
264.07837	3.9
265.08707	7.1
268.07394	1.2
270.08908	2.1
271.09656	10.7
276.07828	6.2
277.08588	4.6
279.10220	18.6
280.10999	2.7
281.08069	2.4
283.09738	3.2
291.10178	30.2
292.10870	3.0
293.08127	5.1
295.09839	2.2
296.10471	10.4
297.11118	3.8
308.10410	3.3
309.11313	1.5
311.12796	26.8
313.14636	1.0
323.09079	1.4
323.12808	34.1
323.16675	1.8
341.06631	2.3
341.10071	1.8
341.13788	17.8
342.17056	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	341.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27220	1.0
55.05517	6.6
56.05845	1.5
67.05497	1.3
70.80359	3.0
70.80701	1.3
79.05508	2.0
83.08608	4.0
91.05492	3.6
94.04181	3.8
100.07665	1.6
100.11269	14.8
101.11600	3.5
105.07024	5.0
109.06521	1.9
115.05453	3.1
119.08609	3.1
122.03670	8.4
128.06212	2.1
128.07062	1.9
129.07018	3.1
132.05701	2.0
133.06494	3.5
137.05989	100.0
141.61707	1.7
147.04366	1.1
147.08075	4.4
149.05998	2.7
159.08130	2.5
160.05203	2.6
161.05995	11.2
163.03929	1.2
167.07068	1.1
172.05209	2.1
175.07570	28.0
177.09026	1.5
182.15436	5.2
183.15790	1.7
187.07558	13.3
189.07031	1.6
189.09071	1.7
190.07823	4.4
191.08600	9.8
199.07518	6.8
199.18213	1.8
201.28163	1.1
202.07820	3.1
203.08511	6.3
209.16420	1.7
210.14980	5.5
210.16731	1.3
211.15260	3.0
213.67944	1.4
218.07283	3.4
219.08080	13.4
220.08887	3.0
227.17668	1.9
227.67703	3.5
231.08098	5.1
232.08795	1.6
236.08360	2.3
247.07556	6.5
248.08296	2.9
249.09082	1.7
251.10710	14.7
259.07599	3.4
260.08414	1.1
263.10660	4.0
263.13431	1.0
264.07825	1.1
271.09561	2.1
276.07840	3.1
276.72849	1.3
277.08737	1.6
277.22974	5.2
277.73062	1.1
279.10101	11.6
281.08081	2.1
291.10193	8.0
292.10852	3.5
295.13498	1.7
311.12769	18.6
323.12790	5.9
331.75632	1.6
340.75778	1.2
341.13867	4.0
343.30750	2.8
344.31064	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	341.1387
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.47190	0.8
51.22274	1.1
58.06611	1.3
58.43668	0.9
65.03922	1.5
68.39564	0.9
70.10281	1.2
70.10691	3.0
71.04983	5.0
81.07046	2.5
91.05488	4.1
93.03410	1.4
94.04190	3.0
95.04971	1.5
103.05468	2.0
107.04939	1.2
109.06524	2.0
111.04485	1.2
115.05470	2.1
117.06999	1.2
119.04931	2.3
119.44365	1.0
122.03660	9.4
125.05981	1.4
128.06221	1.7
129.07021	8.9
131.04945	2.5
133.02878	6.5
137.05994	100.0
143.04921	1.7
144.05699	3.7
145.06488	2.0
147.04454	1.3
149.05992	3.3
151.03934	1.6
151.07542	6.5
153.05466	1.6
157.06522	6.5
160.05223	4.9
161.05989	1.1
163.07532	2.5
165.05563	4.6
165.06813	1.1
168.05682	1.4
171.08090	1.3
172.05234	7.8
174.06767	7.4
175.07582	14.2
176.08406	1.4
177.05499	5.3
177.09074	2.7
179.07045	3.4
179.08456	1.2
185.06003	1.7
187.07555	42.0
189.09113	11.6
191.07042	2.0
191.08629	2.1
196.05194	5.2
197.05980	2.9
199.07588	2.5
202.07771	4.0
203.08572	15.1
205.06493	3.4
205.08527	1.4
211.07559	20.8
212.04742	2.7
213.05486	4.7
217.08618	12.8
218.07257	2.4
219.08072	8.9
220.08844	8.1
221.05971	1.0
221.09592	1.8
225.05478	2.2
225.09108	2.0
226.06213	1.9
227.07051	25.8
228.07776	3.1
231.08072	16.6
232.08804	4.1
233.05986	2.8
233.09650	1.5
234.06830	1.7
235.07462	1.5
236.08272	2.4
237.09140	3.5
239.07060	12.4
240.07840	16.7
241.04970	1.8
241.08649	2.7
245.09608	1.1
247.07516	7.4
248.08376	24.8
249.05792	0.9
249.09129	3.3
250.06319	1.5
251.10805	5.7
253.08629	2.3
254.09467	2.5
255.06560	16.7
256.07294	10.7
259.07626	7.1
260.08368	3.3
261.05621	1.4
261.09088	3.4
262.06250	1.2
262.09879	1.5
263.07681	1.4
263.10727	19.6
264.07877	3.1
265.08633	6.5
268.07330	5.0
269.08072	2.3
270.08905	39.5
271.09689	37.3
271.12180	0.9
276.07852	12.1
277.08524	5.8
278.05975	1.0
279.10260	11.1
280.10849	1.9
281.08194	3.0
281.11755	1.4
283.09726	12.8
285.11191	1.0
290.09488	1.6
291.10187	54.0
292.10867	3.7
293.08142	6.4
293.11197	1.3
294.08862	0.9
295.13239	1.2
296.10419	6.6
297.11133	2.6
305.11673	2.6
307.09650	1.1
308.10596	6.6
309.11176	1.3
311.12808	9.8
313.14270	1.8
323.12823	33.0
341.13879	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	341.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95894	0.9
58.06605	19.7
69.19404	7.8
69.19808	1.5
71.05013	1.0
79.05506	2.1
81.07057	2.0
86.99582	0.9
91.05476	4.4
94.04185	3.1
103.05440	1.4
104.47975	1.0
105.07023	5.8
107.04959	1.7
109.06510	2.2
115.05452	4.0
119.08567	2.3
122.03664	9.5
128.06213	1.0
129.07007	2.3
131.04955	1.9
132.05705	2.5
133.06526	4.8
133.83182	1.0
137.05986	100.0
141.07004	1.1
144.05756	1.4
145.06448	1.5
147.04434	1.6
147.08073	3.1
149.05943	2.1
157.06554	1.3
159.08072	2.8
161.05992	10.0
165.05559	0.9
175.07562	28.5
187.03958	1.6
187.07565	13.3
189.07054	1.1
189.09169	2.6
190.07805	3.8
191.08577	9.3
199.07561	7.2
202.07805	3.4
203.08536	6.7
205.06572	2.3
207.08141	1.3
208.08914	1.2
217.08565	2.3
218.07339	1.8
219.07999	12.8
219.09831	1.2
220.08768	3.1
220.87726	1.3
221.09500	1.4
222.06766	2.2
231.08044	6.2
232.08804	2.5
233.05937	1.3
233.09624	1.5
235.07547	1.8
236.08377	3.3
237.09099	3.2
239.06902	1.2
240.07901	1.4
246.06882	1.0
247.07497	6.9
248.08336	5.0
249.09206	1.6
251.10686	16.2
253.08484	1.4
259.07599	3.3
260.08310	1.4
261.09167	2.0
263.10687	3.2
264.07767	2.3
265.08560	8.4
270.08908	1.9
271.09634	3.6
276.07693	2.1
277.08582	3.4
279.10202	14.9
280.10971	1.3
281.08105	1.6
281.11975	1.0
282.08875	3.1
291.10141	9.0
292.10928	3.4
296.10248	1.6
297.11215	12.4
311.12811	19.2
323.09448	1.2
323.12762	6.0
341.13800	3.2
342.12933	1.8
342.17041	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
65.03932	1.2
65.97152	0.9
67.05514	1.2
70.06625	1.2
70.43989	2.0
70.44320	1.2
71.05000	4.8
72.08167	1.3
79.05496	2.6
81.07069	1.6
86.23977	0.9
91.05499	6.3
93.03386	1.2
94.04194	2.9
95.05004	1.3
97.36090	0.9
103.05478	2.2
105.07027	1.7
106.57295	0.9
107.04976	7.8
108.05738	2.5
109.06570	3.2
115.05465	2.5
115.23174	0.9
117.07029	1.8
119.04997	1.5
119.08536	1.0
121.06551	2.4
122.03688	7.4
124.05203	1.0
128.06262	4.3
129.07031	10.8
131.04961	3.0
131.08598	1.3
133.02872	5.4
135.04442	3.2
136.05215	16.0
137.05995	100.0
143.04950	2.5
143.08627	1.6
144.05743	4.3
145.06512	3.7
146.07269	2.5
147.04498	1.4
149.06004	4.2
150.06749	2.3
151.03978	2.4
151.07561	94.1
152.07913	3.1
153.05502	1.9
153.09123	2.1
157.06531	6.6
158.07295	6.7
159.04477	2.3
160.05214	4.4
161.02475	1.0
161.05962	2.8
163.07570	2.9
165.05502	4.3
165.06987	1.4
165.09132	7.8
168.05701	1.2
171.08061	1.9
172.05272	4.5
172.08853	8.0
173.06039	3.9
173.13489	1.0
174.06793	18.6
175.07576	18.0
176.08337	1.1
177.05533	5.1
177.09135	6.2
178.07872	1.3
179.07047	3.9
179.08519	1.4
181.41464	1.0
184.05243	1.3
185.05986	1.4
186.17123	0.9
187.07571	36.9
188.08333	10.8
189.07411	2.0
189.09129	40.6
191.07033	1.6
191.08572	2.8
196.05200	6.6
197.06042	2.3
199.07594	3.1
201.09126	1.6
202.07809	3.5
203.08612	12.4
203.10709	31.7
205.06534	2.4
205.08524	1.1
207.08063	1.3
208.08809	1.5
211.07576	17.2
212.04782	2.3
213.05544	2.9
217.08624	14.4
218.07425	1.1
219.08072	7.5
220.08865	5.0
224.08522	1.8
225.05547	1.5
227.07042	16.3
228.07806	2.6
231.08046	14.6
232.08838	3.9
233.06036	3.1
233.09668	2.4
234.06795	1.2
235.07594	2.5
236.08389	2.7
237.09166	2.4
238.09846	1.2
239.07071	14.7
240.07841	10.3
241.05040	1.6
241.08614	2.9
247.07463	7.3
248.08368	22.3
249.09085	2.9
250.06467	1.6
251.07234	1.0
251.10652	4.0
253.08690	2.1
253.11900	1.5
255.06569	14.4
256.07388	7.2
259.07599	8.1
260.08307	2.5
261.09171	2.1
262.09949	2.0
263.10718	18.3
264.07800	2.8
265.08575	6.4
268.07367	4.7
268.10516	1.1
269.08218	3.2
270.06009	1.7
270.08914	30.7
271.09677	39.2
276.07828	11.3
277.08731	4.2
279.10236	13.2
280.10980	2.7
281.08322	2.2
281.11716	1.5
283.09665	11.8
291.10181	54.0
292.10901	4.4
293.08099	7.1
293.11142	1.3
295.09750	1.9
295.13150	3.3
296.10538	6.2
297.11343	3.5
305.11694	2.3
308.10483	6.3
309.11145	1.1
309.14542	1.6
310.15137	2.2
311.12778	13.5
313.14432	3.2
323.12793	47.5
326.14450	1.4
341.13831	21.1
341.17410	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03942	0.7
57.03435	0.6
58.06596	2.2
65.03934	0.8
67.05508	0.7
69.03428	0.8
69.07075	1.5
69.56138	2.6
69.66698	0.6
71.05002	3.7
75.00898	0.5
79.05498	1.9
81.07066	1.3
91.05475	3.4
93.03415	1.3
93.07034	0.7
94.04198	2.4
95.08590	1.0
103.05467	1.8
105.03398	0.6
107.04951	1.9
109.06537	3.1
111.04411	0.8
111.10813	0.5
115.05473	1.6
117.06984	0.9
119.04949	1.8
122.03662	8.0
125.05976	0.6
128.06235	2.0
129.07031	5.6
131.04906	2.0
133.02846	5.6
137.05988	100.0
143.04901	1.6
144.05730	2.7
145.06488	2.1
146.03670	0.7
146.07338	0.7
147.04373	1.3
149.06012	3.7
151.03915	2.3
151.07550	5.5
153.06944	0.6
156.05717	0.7
157.06491	4.8
158.07306	1.3
160.05208	4.9
161.06000	1.8
163.07584	2.7
164.04617	0.6
165.05531	5.1
165.06807	1.1
167.07057	1.0
168.05739	1.1
171.08015	0.9
172.05232	5.0
173.06082	0.9
174.06807	6.7
175.07568	15.9
176.08354	1.4
177.05507	4.7
177.09161	2.1
178.07831	1.1
179.07074	3.7
181.06529	1.1
185.05975	1.2
187.07564	32.0
188.08290	1.3
189.07394	0.9
189.09116	11.0
190.07823	0.7
191.06992	1.3
191.08589	1.7
192.09351	0.9
193.10045	0.7
196.05228	4.1
197.05995	2.6
199.07552	3.4
202.07767	3.6
203.08566	13.6
205.06503	2.3
205.08479	1.3
207.07997	0.7
208.08844	1.3
209.09439	0.6
211.07562	17.5
212.04706	5.2
212.08244	1.0
213.05492	3.1
213.09045	1.2
217.06569	1.1
217.08611	12.7
218.07248	0.9
219.08081	10.2
220.08833	6.1
221.06004	1.0
221.09569	2.2
222.06752	1.0
224.08392	0.7
225.05515	2.1
225.09012	0.9
226.06238	1.1
227.07036	36.9
228.07727	2.1
231.08083	16.2
232.08859	3.9
233.06133	3.0
233.09636	1.8
234.06714	1.3
235.07516	2.1
236.08339	2.4
237.09106	2.8
239.07033	9.7
240.07832	13.4
241.04968	1.7
241.08531	3.4
242.07436	0.8
243.10115	0.8
245.09767	0.6
247.07561	7.1
248.08359	26.4
249.09131	3.7
250.06223	1.3
251.10736	3.0
253.08592	2.0
254.09363	1.6
255.06548	27.8
255.13853	0.8
256.07291	7.5
259.07587	7.2
260.08298	3.4
261.05453	0.8
261.09073	3.3
262.06311	0.6
262.09967	1.9
263.07126	1.6
263.10693	18.2
264.07867	3.3
265.08618	5.9
268.07364	6.5
268.10193	0.7
268.11115	0.5
269.08102	4.2
270.08887	65.8
271.09665	38.0
271.17242	0.7
273.09091	0.8
276.07828	14.1
277.08630	6.9
278.05603	0.6
278.09326	0.9
279.06897	0.8
279.10172	12.0
280.07349	0.7
280.10950	2.0
281.08072	2.1
281.11618	1.2
282.08765	1.1
283.09683	17.7
285.11127	1.1
290.09277	0.8
291.10175	62.6
292.10913	5.3
293.08096	6.5
294.09125	1.0
295.09677	2.5
295.13248	1.7
296.10425	5.8
297.11240	3.7
305.11710	2.2
307.09674	2.2
308.10443	8.7
309.11261	1.4
311.12793	10.9
313.14386	2.8
323.12796	59.1
324.12970	0.9
341.13849	31.9
341.20721	1.3
342.17523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.05499	4.0
57.07081	2.3
58.06609	11.6
58.34673	1.8
65.03923	1.8
66.00858	1.5
66.04782	1.4
66.73420	1.5
67.05500	5.5
69.07079	10.6
69.43108	12.8
71.04993	4.7
79.05508	4.8
81.07058	20.5
83.08623	4.1
91.05483	5.4
93.07055	6.4
94.04182	3.8
95.08611	14.8
97.10183	1.6
98.20671	3.0
103.93369	1.9
105.07051	8.0
107.04943	2.6
107.08606	7.3
109.06502	3.2
109.10168	14.6
119.04990	2.0
119.08598	7.6
121.10165	9.2
122.03657	7.6
123.11733	10.8
128.06206	1.5
129.07034	5.1
133.02841	6.5
133.10144	6.9
135.11693	5.9
137.05984	100.0
137.13258	6.9
143.04945	3.5
143.08556	2.0
144.05753	4.0
145.10098	2.8
147.11670	4.0
149.06006	4.7
149.13280	5.9
151.03964	2.6
151.07587	6.2
151.42424	1.8
153.05420	1.8
157.06537	4.5
159.11720	3.5
160.05238	5.6
161.05962	2.3
161.13254	4.4
163.07550	4.5
164.04680	1.9
165.05504	5.0
172.05200	6.5
173.13280	2.0
174.06799	8.4
175.07547	19.8
175.14799	3.4
177.05501	5.4
177.09019	3.6
177.16411	2.2
179.07054	3.7
185.06042	2.1
187.07556	40.5
187.14891	2.2
189.09129	12.1
189.16476	2.9
191.18040	2.6
196.05203	4.8
197.05934	1.9
199.07564	3.1
200.15654	1.6
201.80524	2.0
202.07849	3.1
203.08577	14.2
203.17975	5.3
208.08775	2.1
211.07559	17.8
212.04652	3.1
213.05553	3.3
217.08614	15.7
217.19566	5.3
219.08018	8.0
220.08876	5.2
221.09688	2.3
227.07021	25.6
228.07837	4.9
231.08081	15.8
232.08807	2.5
233.06079	3.7
235.07518	3.6
236.08473	3.6
237.09152	5.1
239.07097	11.2
240.07828	11.9
241.04900	2.3
241.08415	1.9
247.07538	8.0
248.08313	24.3
249.09048	3.9
251.10678	4.6
253.08626	3.6
255.06494	14.8
256.07346	7.5
257.22610	2.8
259.07672	7.4
259.24258	2.2
260.08499	1.8
261.09216	3.1
263.10724	18.2
264.07898	4.1
265.08521	8.1
268.07266	4.2
270.08905	41.3
271.09622	47.4
276.07855	10.4
277.08566	6.6
279.10181	11.7
280.10654	2.5
281.11752	3.1
282.08838	2.5
283.09705	12.8
291.10162	58.6
292.10818	5.7
293.08154	4.5
295.09665	2.2
296.10446	7.8
297.11258	7.2
305.11685	1.8
307.09607	2.5
308.10422	5.0
309.11169	2.7
311.12836	16.4
313.14514	2.6
323.12778	47.6
341.13876	26.9
341.32114	26.4
342.17160	5.3
361.95380	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Dehydroxycubebin
Peak:m/z	Relative Intensity
51.10507	0.9
55.48704	0.8
58.06607	9.9
58.43695	0.9
61.57426	0.9
65.03933	1.2
67.05517	0.9
69.24890	5.0
69.25305	3.1
69.37798	0.8
77.03947	1.2
79.05490	5.0
91.05484	2.6
103.05490	1.0
105.03400	1.5
105.07061	1.1
107.04953	3.7
115.05453	2.5
117.07011	1.3
119.04947	1.2
121.06496	1.6
122.03665	1.0
123.04446	1.4
129.07001	2.9
131.04959	2.4
135.04428	100.0
136.05165	2.7
137.05992	17.1
139.07605	1.5
143.04962	3.1
144.00597	0.9
144.05661	1.2
145.06491	3.1
146.07269	1.3
147.04468	5.5
147.08133	1.1
149.02312	1.9
149.05972	2.3
151.03917	4.3
151.07552	39.1
157.06555	4.4
158.07298	8.6
159.04468	5.4
159.08032	1.0
160.05138	1.1
160.08839	3.4
161.06062	1.6
162.06752	1.1
173.05991	5.7
174.06781	22.7
175.07549	4.5
176.08351	1.0
177.09132	3.5
179.03384	0.9
179.07083	1.0
179.08572	0.9
185.05997	7.8
186.06721	1.1
187.07561	5.2
189.09117	51.0
191.10670	5.7
196.05225	1.1
197.54192	0.9
201.09113	32.6
203.08556	2.6
205.08578	2.6
207.08083	1.2
211.07642	1.6
217.08676	1.6
218.07301	1.8
219.08060	3.8
219.10167	4.6
221.09521	1.5
227.06918	1.5
231.08014	2.6
233.09583	3.0
234.10329	2.3
235.07515	2.8
236.76524	0.9
237.09099	1.1
239.07031	3.7
240.07742	2.0
247.07518	3.7
248.08374	2.9
249.09088	2.1
250.09990	1.3
251.07031	3.9
255.06639	1.7
261.09106	3.7
262.09875	3.1
263.07190	1.5
263.10693	3.7
265.08676	2.5
265.12268	4.0
268.07047	0.9
270.08917	3.4
271.09619	5.3
276.07742	1.9
277.08566	3.7
278.09439	1.2
279.06656	1.0
279.10150	2.1
280.07196	1.3
282.08835	8.5
283.09821	1.2
291.10178	9.0
292.10904	6.6
293.07932	2.9
293.11661	5.0
295.09656	18.7
296.10391	1.5
308.10461	5.6
311.12793	4.1
323.12805	42.4
341.10052	1.0
341.13882	14.6
342.16940	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69641	0.8
55.05509	1.9
57.07067	2.5
58.06610	6.0
69.07059	2.6
71.04991	3.6
71.53168	1.1
79.05504	1.9
79.35584	0.9
81.07056	3.6
83.08632	2.1
85.06567	1.2
85.10178	1.3
89.03960	0.8
91.05489	3.4
93.07037	1.3
94.04208	3.4
95.04965	1.4
95.08616	1.4
97.10157	1.0
99.20026	0.7
103.05490	1.6
105.07010	1.3
107.04974	1.7
107.08562	1.1
109.06530	2.3
111.04459	1.2
115.05466	1.9
117.07000	0.9
119.04944	1.7
121.06569	1.0
122.03659	7.9
128.06258	2.1
129.07011	8.9
131.04968	4.2
133.02875	3.8
135.04451	0.9
135.07999	0.8
137.05989	100.0
139.05426	0.8
141.07089	1.0
143.04971	1.8
143.08629	1.1
144.05728	3.7
145.06499	2.6
146.07275	1.2
147.04411	1.6
149.05977	3.6
151.03922	3.8
151.07574	5.7
153.05530	1.6
157.06505	6.6
158.07263	1.2
160.05246	3.3
161.06023	2.3
163.07565	2.6
165.05513	4.6
165.06905	1.3
168.05809	1.0
172.05214	4.9
174.06760	5.9
175.07559	13.5
177.05469	5.4
177.09148	1.8
179.07063	4.3
181.06534	0.9
185.06027	1.9
187.07559	31.8
188.08099	0.8
189.09109	10.6
190.07700	1.0
191.07024	1.6
191.08589	3.7
193.10149	1.3
196.05180	3.9
197.06071	2.5
199.07599	4.0
202.07800	3.3
203.08580	15.0
205.06473	3.0
205.08469	1.9
208.08794	1.3
210.06749	1.2
211.07561	17.3
212.04716	3.7
213.05478	2.7
217.08617	13.6
218.07365	2.5
219.08061	9.7
220.08852	6.6
221.06027	1.4
221.09712	1.4
222.07031	1.2
225.09117	1.6
227.07034	33.6
228.07709	2.2
230.07452	1.1
231.05795	1.1
231.08057	16.7
232.08826	3.5
233.06013	3.2
233.09624	1.1
234.06847	1.6
235.07555	1.9
236.08327	3.2
237.09140	3.1
239.07060	12.3
240.07846	13.5
241.04990	1.9
241.08620	3.6
247.07600	7.6
248.08374	25.4
249.09073	4.3
250.06252	1.3
251.10732	4.5
253.08611	2.2
253.12352	1.3
254.09291	1.9
255.06551	26.1
256.07291	7.3
259.07581	7.3
260.08405	3.5
261.05472	1.1
261.09167	3.5
262.09927	1.7
263.10693	20.7
263.13297	1.7
264.07837	3.2
264.10892	1.1
265.08658	6.3
268.07272	5.5
269.08112	3.2
270.08893	64.2
271.09671	34.8
271.12592	1.7
276.07837	13.9
277.08572	6.0
279.07071	1.4
279.10168	12.0
280.07544	0.9
280.10889	2.8
281.08310	1.9
281.11679	1.7
283.09702	14.7
283.14493	1.0
285.11322	1.0
291.10181	57.2
292.10852	5.3
293.08163	7.1
293.11191	1.5
294.08829	1.0
295.13449	2.1
296.10443	6.0
297.11301	3.8
305.11710	2.7
307.09702	2.2
308.10385	7.4
309.11279	2.6
311.12830	10.6
313.14432	3.4
323.12790	55.9
324.13193	1.0
341.13858	35.0
341.26071	4.5
341.30170	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1387
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
58.06604	3.6
59.06460	1.2
65.02350	1.2
71.04992	4.2
71.38100	3.1
77.51818	1.2
81.07047	2.3
91.05483	3.9
94.04183	4.0
95.04963	2.3
103.05457	2.3
107.04971	1.5
109.06505	2.5
115.05363	1.4
119.04979	1.4
122.03669	8.4
128.06215	1.8
129.07018	6.4
131.04924	3.3
133.02859	5.7
137.05989	100.0
143.04857	1.4
144.05688	3.7
145.06451	1.9
147.04385	2.1
147.18124	1.4
149.05989	3.7
151.03946	3.2
151.07530	7.9
153.05495	2.5
155.27365	1.2
157.06494	4.2
158.07266	1.3
160.05180	3.7
161.05994	2.1
163.07562	1.5
165.05499	5.1
168.05719	1.3
172.05194	5.8
173.06036	1.4
174.06824	8.5
175.07590	18.2
177.05486	6.9
177.09085	3.4
179.07065	6.1
185.05968	1.9
187.07568	43.5
189.09142	14.9
190.07797	2.0
191.06943	2.1
191.08606	2.7
196.05240	6.1
197.05997	2.8
199.07520	4.1
202.07765	4.2
203.08572	16.0
205.06467	2.5
205.08504	2.1
211.07562	22.2
212.04721	2.7
213.05443	6.5
217.08653	12.9
218.07268	1.6
219.08032	6.2
220.08835	6.3
221.06044	1.5
221.09718	2.2
225.05466	3.2
227.07039	22.5
228.07739	2.5
231.08043	16.7
232.08838	3.4
233.06033	2.6
233.09590	2.3
234.06711	1.4
235.07524	1.3
236.08202	1.6
237.09090	2.2
239.07057	13.8
240.07893	17.2
241.05003	1.6
241.08479	2.7
247.07600	7.5
248.08376	26.4
248.70636	1.3
249.09113	2.3
251.10657	4.4
253.08580	3.7
253.12299	1.4
254.09267	1.5
255.06508	16.9
256.07336	8.9
259.07462	4.4
260.08212	3.0
261.09091	2.5
262.06372	1.6
262.09760	1.4
263.07089	1.0
263.08002	2.0
263.10712	18.5
264.07846	1.8
265.08600	5.3
268.07300	4.6
269.08078	1.8
270.08896	43.9
271.09650	50.6
276.07932	12.2
277.08539	6.4
279.10071	9.4
280.10904	1.6
283.09686	12.8
291.10162	64.7
292.10825	5.1
293.08151	6.2
295.09518	2.7
296.10483	7.8
297.11273	4.1
305.11716	1.8
307.09506	1.8
308.10400	9.0
309.11191	1.8
311.12845	12.2
313.14380	2.6
323.12820	48.7
341.09940	2.1
341.13849	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	341.1386
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
54.15989	0.7
55.01899	0.7
57.07060	0.7
58.06595	4.7
62.06080	2.0
63.46511	0.6
65.03941	1.4
69.07059	1.3
69.24174	5.8
76.76098	0.6
78.54157	0.7
79.05495	2.6
81.07048	2.7
91.05486	2.2
93.03409	0.8
94.04188	2.8
95.04983	1.0
95.08603	1.2
103.05465	1.7
107.04964	1.1
109.06496	3.7
115.05436	0.9
119.05000	0.9
122.03651	7.0
123.04414	1.1
128.06262	1.8
129.07013	7.4
131.04950	2.8
131.08572	2.0
133.02899	1.5
135.04454	1.5
137.05986	100.0
143.04958	1.6
143.08591	1.1
144.05725	2.5
145.06529	1.7
146.07286	1.0
147.04366	0.8
149.05998	2.0
151.03969	1.0
151.07556	6.0
153.05501	1.0
157.06500	5.5
158.07280	1.0
159.04402	0.8
159.08185	0.9
160.05081	1.6
161.05986	2.1
161.09624	0.8
163.07564	1.9
165.05437	1.8
171.08064	1.2
172.05212	4.5
173.06009	1.2
174.06796	8.2
175.07552	8.6
177.05484	1.8
177.06996	0.9
179.07083	1.3
185.05963	1.1
187.07561	31.1
188.08266	0.9
189.09142	12.4
190.07806	2.1
191.07111	0.9
191.08554	3.8
194.07274	0.9
196.05347	1.2
199.07559	4.0
202.07819	2.4
203.06886	1.4
203.08566	10.6
205.06552	2.7
207.08075	0.9
208.08794	1.3
211.07550	5.2
212.04810	1.3
213.05493	0.8
217.08614	20.1
218.07259	1.2
219.08099	9.2
220.08836	6.0
221.05814	1.1
221.09608	1.3
222.06808	0.8
225.08928	1.2
227.07037	9.7
231.08058	15.3
232.08795	4.4
233.05917	1.9
233.09648	1.5
235.07533	2.3
236.08261	2.7
237.09029	2.6
239.06992	4.6
240.07855	2.7
241.08664	1.1
247.07535	6.8
248.08377	13.1
249.05507	0.8
249.09065	2.3
250.06227	1.1
251.10704	6.1
253.08589	1.5
255.06497	8.6
256.07193	1.5
259.07559	6.3
260.08313	2.7
261.09119	3.8
262.06213	0.9
262.09982	1.1
263.07648	1.2
263.10693	15.4
264.07849	2.6
265.08655	5.3
268.07321	2.1
269.07959	1.2
270.08875	19.6
271.09683	8.9
274.09601	0.7
276.07797	9.1
277.08521	4.2
278.05466	0.8
278.09326	1.2
279.10153	12.6
280.10956	1.6
281.08124	2.5
283.09674	4.0
285.11139	0.8
291.10162	39.2
292.10797	3.4
293.08157	4.9
293.10913	0.8
295.13092	0.8
296.10437	7.7
297.11224	1.5
307.09824	1.1
308.10345	5.0
309.11066	1.3
311.12738	14.3
313.14499	1.2
323.12793	41.1
323.27597	1.1
341.13855	29.5
341.20792	1.4
341.28674	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1388
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
58.02954	1.7
58.06609	20.0
59.06932	1.6
71.04996	3.1
79.05499	3.0
81.07074	3.3
86.84380	1.5
91.05479	7.0
93.07055	3.8
94.04173	3.4
105.03416	15.3
106.03744	6.9
109.06596	2.2
111.06828	1.7
115.05466	2.7
116.71213	1.7
119.04919	2.5
122.03645	6.5
128.06264	2.8
129.07016	7.8
131.04996	4.2
133.02864	6.0
135.04427	4.2
136.04729	1.9
137.05988	100.0
144.05692	2.4
147.04387	2.3
149.06013	5.4
151.03973	2.4
151.07542	14.4
152.07867	3.3
157.06499	7.4
160.05180	2.8
161.05988	2.4
163.07599	2.6
165.05519	4.3
172.05241	3.8
174.06766	7.4
175.07571	15.9
177.05478	4.0
177.09094	2.2
179.07062	2.4
187.07574	35.5
189.09103	11.7
191.07074	2.6
191.08588	3.3
192.97905	3.2
196.05219	5.4
199.07582	4.1
202.07809	3.1
203.08604	10.5
211.07582	18.1
213.05527	3.5
217.08618	13.3
219.08180	9.2
220.08823	6.5
221.09671	1.9
227.07065	16.5
231.08067	12.0
232.08807	3.4
233.05959	2.8
236.08670	1.9
237.09094	2.3
239.06992	12.4
240.07845	11.2
247.07571	5.2
248.08334	20.6
248.96936	3.7
249.08992	2.8
250.06459	2.1
251.10489	3.5
253.08484	2.2
255.06577	15.1
256.07263	5.9
259.07571	8.1
262.06531	2.2
263.07544	2.6
263.10684	22.2
264.07846	3.1
265.08618	6.9
266.98026	2.4
268.07233	3.6
269.08118	3.7
270.08884	27.9
271.09677	34.4
271.98578	2.2
273.13248	3.6
276.07779	11.2
277.08630	5.4
279.07254	2.1
279.10049	10.3
280.96066	3.2
281.11719	2.5
283.09549	10.5
291.10181	54.1
292.10794	4.3
293.08054	6.5
293.11020	2.1
294.97495	3.9
295.01123	2.2
296.10489	4.8
297.11169	4.5
308.10419	6.3
311.12848	13.2
313.14261	2.3
317.99084	5.4
323.12811	46.1
341.13773	25.5
342.16916	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	341.1386
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01862	2.2
58.06591	1.9
69.32240	4.8
69.32669	7.4
73.15005	1.4
79.05483	2.8
91.05479	4.2
94.04234	2.5
101.11952	1.5
105.07033	5.5
107.04987	2.6
109.06556	2.1
115.05492	3.7
119.04876	1.7
119.08587	6.1
121.06464	2.4
122.03651	6.4
129.07021	4.3
132.05753	3.1
133.06499	3.4
137.05991	100.0
144.08099	2.3
145.06441	2.2
147.04410	5.9
147.08025	5.2
149.06006	2.6
151.03947	2.4
157.06525	2.3
159.08083	2.3
161.06032	11.1
173.06058	7.6
175.07570	41.8
177.09148	3.5
179.07037	2.4
187.07558	10.0
189.09042	1.6
190.07799	4.7
191.08549	8.5
199.07684	3.2
203.08504	4.0
207.08078	2.4
217.08539	2.6
218.07266	2.0
219.08066	11.2
231.08076	5.1
235.07561	1.6
236.08202	2.4
237.09114	2.1
247.07516	5.6
248.08322	3.2
251.10706	12.7
253.08656	1.6
259.07593	3.0
260.74075	1.5
263.10800	2.4
264.07828	1.9
265.08502	2.4
276.07681	1.9
277.08810	1.6
279.10184	14.1
281.11581	2.0
284.93896	1.5
291.10187	5.6
292.10907	2.2
295.09641	1.6
297.11243	2.1
309.11218	1.7
311.12802	17.8
323.12762	4.8
341.10287	2.2
341.13803	11.1
342.17065	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	341.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39916	5.2
77.03919	0.8
79.05495	2.3
91.05517	4.7
91.14826	0.7
93.07054	1.0
93.64912	0.7
94.04198	3.2
103.05473	2.3
105.07060	5.3
107.04955	1.6
109.06538	2.7
115.05472	3.2
117.07032	1.0
119.04956	0.7
119.08605	2.1
122.03667	7.4
128.06194	1.6
129.06998	2.3
131.04935	1.7
132.05710	1.8
133.06511	3.0
134.79434	0.7
135.04422	1.6
137.05991	100.0
141.07040	0.8
143.04976	1.0
144.05646	0.8
145.06557	0.8
147.04419	1.5
147.08052	3.7
149.06033	1.0
151.07542	1.4
152.30411	0.7
157.06493	1.1
159.08054	2.2
160.05141	1.9
161.05981	11.5
163.07576	0.9
165.06987	0.7
171.08081	0.8
172.05223	2.1
175.07565	25.3
179.11826	0.7
184.05219	1.5
187.07562	13.1
188.08183	0.9
189.09029	1.9
190.07806	3.4
191.08574	9.5
199.07607	8.6
202.07788	2.9
203.08598	5.6
204.09477	1.0
208.08867	0.9
209.54182	0.9
217.08659	2.4
218.07291	1.8
219.08075	11.5
220.08832	2.6
231.08044	5.5
232.08810	1.4
234.06848	0.9
236.08342	1.9
247.07539	6.7
248.08376	2.7
249.09180	1.3
251.10701	17.9
253.08650	0.8
259.07584	2.9
260.08356	2.2
261.09222	1.1
263.10632	3.6
264.07880	1.4
265.08633	1.5
271.09705	1.2
276.07999	0.9
277.08649	2.7
279.10214	14.5
281.08328	1.4
281.11871	0.9
283.09518	0.9
291.10059	7.4
292.11057	2.4
293.08359	1.1
296.10599	1.8
309.11249	1.4
311.12796	14.7
323.12772	5.2
341.14154	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.01316	0.8
55.01847	0.9
58.06588	2.6
71.04980	3.1
71.06496	1.6
76.69730	0.9
79.05482	1.6
81.07069	1.4
87.09040	0.9
88.12006	0.8
91.05476	5.2
93.07018	1.1
94.04210	3.1
98.82905	0.9
103.05494	0.9
107.04951	1.6
109.06542	1.6
111.04459	1.0
115.05428	1.7
122.03667	8.4
123.04418	1.0
125.06001	1.3
126.54581	0.8
128.06250	3.1
129.07001	7.4
131.04950	2.3
133.02856	5.1
135.04449	1.1
137.05989	100.0
143.04909	1.8
144.05713	3.4
145.06474	2.3
147.04422	0.9
149.05995	3.7
151.03909	2.0
151.07573	6.6
153.05461	1.3
157.06491	4.5
160.05206	4.7
161.05972	2.0
163.07561	3.7
165.05602	5.4
165.06831	1.8
167.06946	1.1
171.08073	1.0
172.05211	6.6
174.06757	8.9
175.07558	16.7
177.05473	5.4
177.09152	2.9
179.07092	2.9
181.06622	1.1
182.07362	1.1
185.06070	1.0
187.07559	39.0
188.08247	1.4
189.09114	12.1
190.07826	1.6
191.08580	2.3
195.08095	0.9
196.05225	5.2
197.06018	2.3
199.07610	3.9
201.09166	1.1
202.07863	2.7
203.08592	13.8
205.06645	1.9
205.08496	1.7
207.08243	2.0
208.08778	1.1
211.07544	18.2
212.04655	3.3
213.05493	3.7
217.08618	15.1
219.08026	6.9
220.08852	6.2
225.05507	2.5
227.07053	23.3
228.07875	2.1
231.08057	14.2
232.08818	3.2
233.06012	1.6
233.09627	2.1
234.06779	1.8
235.07579	2.8
236.08408	2.5
237.09109	2.7
239.07071	11.4
240.07840	12.7
240.10214	1.5
241.04970	1.6
241.08749	1.4
247.07544	5.9
248.08324	25.4
249.09129	3.4
250.06381	1.8
251.10715	3.4
253.08556	1.9
253.12334	1.1
254.09457	2.1
255.06554	16.9
256.07391	8.6
259.07571	6.0
260.08337	2.9
261.09152	3.2
262.09909	1.7
263.10706	18.4
264.07800	4.2
265.08597	6.2
267.10153	0.9
268.07358	4.1
269.08218	1.9
270.05988	2.1
270.08896	40.8
271.09671	48.4
273.09039	1.1
276.07840	12.7
277.08670	5.4
278.06131	1.0
279.07028	1.1
279.10187	10.8
280.10849	2.2
281.08176	2.0
281.11780	1.4
282.09033	1.1
283.09637	13.5
285.11417	1.6
291.10168	60.9
292.10754	5.2
293.08188	6.3
295.09732	1.9
295.13177	1.4
296.10483	6.0
297.11191	3.7
301.32822	1.1
305.11725	2.7
307.09601	1.9
308.10388	8.4
309.10907	1.1
311.12817	13.0
313.14331	2.4
323.12790	48.5
341.13882	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1387
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03943	1.0
55.01868	1.5
55.05500	1.2
62.83665	0.9
64.10564	0.7
67.05498	2.5
68.09150	0.8
69.03432	2.5
69.07083	1.8
69.41745	2.8
69.42168	2.9
71.04978	3.0
72.08145	1.7
72.54495	0.8
76.45972	0.8
79.05481	2.8
81.03436	2.5
81.07070	5.5
83.05006	1.2
91.05494	5.6
92.54300	0.8
93.07066	1.5
94.04185	3.3
95.04980	2.0
95.08601	2.9
97.06574	1.4
103.05463	1.8
105.07046	3.2
107.04951	2.5
107.08624	1.4
109.06516	3.5
115.05464	2.1
117.07020	2.3
119.04996	1.9
119.08613	2.4
121.06513	1.8
122.03687	7.7
125.05993	1.1
128.06229	3.8
129.07021	6.7
131.04961	2.2
131.08598	1.0
133.02895	5.8
133.06409	1.1
133.10138	1.7
134.06056	1.7
135.04431	1.4
135.06349	1.1
137.05991	100.0
143.04979	1.5
143.08560	1.5
144.05722	3.1
145.06511	1.5
147.04460	1.6
147.08098	1.1
149.05972	2.7
151.03914	1.9
151.07561	7.9
153.05473	1.4
157.06480	4.6
158.07268	1.4
160.05219	3.2
161.05988	3.1
161.09601	0.9
162.71553	0.8
163.07523	2.8
165.05505	3.2
165.06943	1.2
171.08026	1.0
172.05214	5.1
173.05981	1.1
174.06775	7.1
175.07550	17.4
176.08330	1.2
177.05516	4.1
177.09190	2.3
179.07071	3.1
179.08542	0.9
179.14368	1.6
187.07568	34.5
188.08311	1.6
189.09108	11.1
190.07782	1.3
191.07039	1.8
191.08592	3.6
193.10164	1.0
196.05215	3.7
197.06026	1.7
199.07605	4.7
200.08316	1.1
202.07709	4.3
203.08603	14.2
203.10497	1.6
205.06546	2.5
205.08522	1.5
207.07965	1.6
211.07568	16.0
212.04750	3.1
213.05473	2.2
217.08601	13.8
218.07306	1.5
219.08066	9.4
220.08897	5.9
221.09631	2.4
225.05528	1.3
225.09062	1.0
227.07051	15.4
227.09087	0.8
228.07887	1.5
229.97835	1.0
231.08064	14.0
232.08798	2.8
233.05978	2.4
235.11127	0.9
236.08334	2.0
237.09129	3.1
239.07063	12.4
240.07863	9.1
241.05032	2.1
241.08701	1.7
245.09689	1.0
247.07581	7.5
248.08371	18.9
249.05539	0.8
249.09096	3.1
250.06226	1.3
251.10698	5.8
253.08536	1.9
254.09286	1.2
255.06526	11.1
256.07300	6.1
259.07571	5.8
260.08353	1.8
261.09174	2.6
263.07083	1.3
263.07529	1.6
263.10696	17.6
264.07822	3.3
265.08609	5.5
268.07288	3.8
269.08197	1.4
270.08899	29.2
271.09662	34.5
276.07883	10.8
277.08710	4.5
278.05685	1.2
279.06934	1.4
279.10184	11.0
280.10928	1.6
281.08038	2.3
281.11554	1.8
283.09723	9.9
291.10168	47.7
292.10910	5.6
293.08063	5.9
293.10913	1.0
295.09625	1.9
295.13312	0.9
296.10434	6.8
297.11185	1.7
305.11798	1.7
305.17532	1.6
307.09741	1.2
308.10492	5.6
309.11316	2.1
311.12827	12.4
313.14520	1.0
323.12796	39.9
323.18610	1.9
341.09988	2.0
341.13867	26.9
341.20990	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78888	2.2
53.03934	2.8
55.01863	5.4
57.03442	9.8
58.06608	2.7
60.04486	2.0
61.02921	2.6
65.31759	2.3
67.05497	2.7
68.99784	8.9
69.03428	19.8
70.06580	7.6
71.04976	3.1
71.52797	2.7
72.08141	4.4
73.04745	2.2
79.05469	5.2
81.03410	9.3
81.07052	2.6
84.08148	9.9
85.02448	3.8
85.02913	54.9
85.22508	2.2
87.00834	17.2
87.04462	2.2
87.05560	4.1
91.05475	8.7
93.07035	6.0
95.04957	6.8
97.02878	5.7
98.97610	2.9
99.04456	2.4
103.03954	4.0
103.05461	6.7
105.01852	2.8
105.03407	2.2
105.07019	5.0
106.06577	2.6
107.04961	54.7
109.02882	6.5
109.06490	2.4
110.07152	4.7
111.04446	4.0
115.05457	5.6
117.07027	12.9
119.04913	8.2
120.08089	6.5
121.02827	3.2
121.06494	3.7
121.10064	2.7
123.04441	25.4
127.03934	10.8
129.01855	3.9
129.10207	4.0
131.04913	5.4
131.08571	2.7
133.06465	3.7
135.04445	14.6
137.02322	4.4
137.05925	4.9
145.06477	17.0
147.04420	100.0
148.11221	4.0
149.05948	6.9
149.09579	8.7
151.03911	6.8
155.04898	2.9
155.06041	7.5
159.04431	4.8
160.07576	3.2
161.05956	5.7
161.07895	3.4
163.03909	8.8
164.07112	2.3
166.08636	6.2
166.12248	9.4
167.10603	3.0
171.02882	8.2
173.05981	39.6
175.03922	35.3
175.07599	2.3
176.83072	2.1
177.05476	9.6
179.03346	22.1
179.04712	3.1
180.10114	2.8
183.04436	2.4
189.03911	6.9
189.05437	4.2
191.03441	4.5
191.06999	2.6
192.44623	2.1
201.05484	50.0
210.07526	2.9
217.04890	2.4
219.06534	25.0
221.04491	2.6
222.11148	2.6
224.09177	4.3
233.54442	2.3
237.03813	6.6
238.14357	3.1
245.04543	4.9
251.10791	2.4
263.05475	2.9
264.12280	3.9
269.11319	2.4
271.61478	1.9
275.05515	3.2
282.13104	2.6
287.05612	3.3
305.06415	3.8
324.14468	3.6
341.17316	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Dehydroxycubebin
Peak:m/z	Relative Intensity
50.68276	0.4
51.46009	0.4
53.03933	0.8
58.06603	0.4
65.03939	0.9
70.06598	0.5
70.54916	0.8
70.55252	0.6
77.03942	0.8
79.05508	4.8
81.07047	0.9
89.03938	0.8
91.05479	2.8
93.03394	0.8
93.07047	0.8
95.04972	1.9
95.26527	0.4
105.03406	1.7
107.04955	2.6
108.05721	0.7
111.04449	1.1
115.05486	2.8
117.07027	1.5
119.04959	1.4
119.08624	0.5
121.06513	1.7
123.04441	1.7
124.05266	0.5
128.06216	0.7
129.06998	1.9
131.04948	1.3
131.08580	0.8
132.05743	0.9
133.10136	0.5
135.04431	100.0
136.05234	4.3
137.05992	3.6
143.04994	2.5
144.05716	1.0
145.06487	2.4
146.07309	1.5
147.04437	6.9
149.02388	1.8
149.06001	1.6
151.03969	3.1
151.07559	32.9
157.06511	4.5
158.07292	8.2
159.04401	3.5
159.08034	0.7
160.05261	0.5
160.08842	3.2
161.05994	1.7
162.06805	1.1
163.07625	0.7
173.05992	5.1
174.06787	20.5
175.07591	3.9
176.08301	0.6
177.09108	4.4
181.06508	0.9
185.05965	6.8
186.06810	1.3
187.07576	0.9
189.09128	51.2
191.08803	0.7
191.10690	5.9
199.07541	0.7
201.09122	32.3
203.06969	0.9
203.08635	0.7
205.08569	2.8
207.08066	1.0
211.07600	0.6
218.07291	1.0
219.08063	2.5
219.10222	6.1
221.09700	0.9
227.70406	0.5
231.08064	1.2
233.09589	2.3
234.10439	2.7
235.07689	2.2
239.07146	2.1
247.07610	1.2
248.08484	0.7
249.09218	1.5
250.10107	0.9
251.07033	2.8
252.08078	0.5
261.09198	3.2
262.09964	3.4
263.06946	1.1
263.10532	0.5
265.08704	1.8
265.12280	3.8
276.07974	0.8
277.08630	3.0
278.09421	1.8
279.06577	1.0
279.09921	0.6
280.07367	1.3
280.10849	0.5
282.08868	6.2
291.10202	2.7
292.10928	7.4
293.08197	1.6
293.11786	4.4
295.06339	0.9
295.09698	16.7
296.10379	0.6
308.10400	4.4
311.12796	1.4
323.12823	36.2
324.13083	0.8
341.06854	0.6
341.13840	10.4
341.21158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0872
Annotation	Esculin sesquihydrate 
Peak:m/z	Relative Intensity
51.02380	0.2
53.03940	0.5
55.01868	0.4
55.05531	0.3
56.05033	0.2
57.03424	0.5
58.06600	0.4
61.02923	0.5
65.26443	0.2
69.03458	1.2
69.07052	0.3
70.06615	1.1
71.51529	0.3
72.08154	0.3
79.05476	0.6
81.03429	0.6
81.07062	0.4
84.08130	0.5
85.02913	2.4
86.09727	0.2
89.03906	0.5
91.05487	0.4
93.07034	0.7
95.04971	0.4
97.02908	1.1
97.61713	0.2
105.03394	0.3
105.07063	0.2
107.04960	1.6
109.02892	0.5
110.07174	0.4
117.03374	0.5
119.05000	0.3
121.10159	0.4
123.04438	8.9
127.03929	0.5
129.10240	0.4
131.42697	0.2
133.02869	7.2
135.04405	2.1
137.05978	1.7
145.04948	0.3
145.06561	0.3
147.04388	0.9
149.09615	0.9
151.03932	3.2
157.86913	0.3
160.07614	0.5
160.09964	1.0
161.10756	0.3
163.03908	0.8
175.03929	0.6
179.03409	100.0
180.03793	0.6
181.32510	0.2
187.07578	0.3
189.05469	0.4
189.10239	2.2
189.56549	0.2
191.03424	4.3
192.04239	0.7
203.03415	0.4
205.05011	0.3
216.08946	0.2
217.04929	0.3
221.04459	4.0
231.06590	1.0
245.04475	1.6
259.05923	0.3
263.05530	0.4
263.40939	0.2
264.10193	0.5
271.09991	0.3
275.05545	0.8
287.05566	0.7
305.06662	1.2
323.07733	1.5
323.15945	2.4
324.12491	1.1
334.40213	0.3
341.08719	6.1
341.17126	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	340.2849
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
52.94047	0.5
55.05518	15.8
56.05021	1.0
57.03427	0.6
57.07082	4.2
58.06596	1.9
60.04534	27.0
67.05183	0.6
67.05512	8.5
69.07079	25.9
69.51682	3.2
71.04988	1.6
71.08628	1.8
79.05500	2.5
81.06595	0.7
81.07069	12.4
83.04985	0.6
83.08155	1.1
83.08626	17.0
84.08158	0.6
85.10199	0.9
91.05492	3.0
93.07046	3.7
95.08063	0.9
95.08622	12.5
97.06527	1.7
97.10185	10.4
98.10518	0.6
100.11252	1.0
104.51337	0.6
105.07054	2.7
107.08607	3.1
109.06491	1.0
109.10176	7.4
111.08056	1.2
111.11771	2.5
113.09656	0.6
114.12821	10.5
114.42448	0.6
119.08607	3.5
121.10164	3.6
123.11713	2.4
125.09626	1.0
125.13244	0.5
132.38029	0.6
133.10161	3.0
135.11694	2.3
137.05968	3.0
137.09651	0.9
137.13277	0.8
139.11156	0.6
147.11729	2.7
149.13257	1.4
151.11203	0.6
151.14821	1.1
161.13271	2.1
163.14815	1.6
165.12714	1.0
175.14864	1.7
179.14250	0.7
182.15422	6.1
185.06113	0.5
187.07536	0.6
189.16383	0.9
193.15851	0.7
196.16823	0.6
200.16537	3.4
213.67245	0.5
221.87668	0.6
227.06972	0.8
245.22731	1.8
248.08395	0.8
255.06525	0.7
263.23727	3.2
270.08884	1.2
271.09598	0.8
275.17133	0.6
280.26422	11.8
291.10147	1.4
298.27411	13.6
322.27515	2.4
323.12909	1.7
340.28513	100.0
341.13821	0.7
341.28891	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	24.9
56.05033	9.1
57.07071	7.9
58.02953	14.0
58.06609	21.7
60.04556	3.7
60.08151	6.2
61.37135	3.2
67.05508	34.2
69.07070	13.9
69.51553	13.7
69.51961	8.1
70.06596	62.2
79.05504	7.2
79.54971	3.2
81.07069	58.0
83.08617	14.6
84.04469	4.4
84.08138	6.8
87.04490	3.6
91.05490	6.3
93.07048	10.6
95.08610	18.9
96.08123	6.5
97.10152	5.2
105.07057	3.8
107.08591	8.0
109.10156	9.3
120.28869	3.2
121.10170	5.9
123.11706	7.8
140.14359	82.4
147.11678	3.5
208.16962	30.8
226.18037	96.8
256.26273	4.9
285.29639	3.4
312.32602	16.5
322.27451	10.1
325.09512	4.3
330.35406	3.3
340.11813	6.4
340.28452	100.0
340.35599	5.6
340.39258	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.4
56.05039	2.4
57.07084	11.9
58.06591	1.1
60.04528	1.7
60.08153	0.3
65.03943	0.2
66.15121	0.2
66.65770	0.2
67.05511	6.6
69.07076	6.7
70.06593	1.4
70.21764	0.4
70.22131	0.4
71.04652	0.3
71.05000	3.4
71.08627	1.2
72.08167	1.0
72.27648	0.2
74.09364	0.2
74.09727	3.3
79.05479	0.8
81.06605	0.5
81.07063	7.9
83.08153	0.3
83.08627	5.3
84.08115	0.6
85.10184	0.4
86.09698	0.5
87.04437	0.3
93.07058	0.3
95.08617	9.0
97.06516	0.2
97.10175	2.7
98.09633	0.2
102.09205	0.3
109.10173	3.7
111.11698	0.3
112.11241	0.8
123.11702	0.8
130.08638	0.5
137.13261	0.4
147.20410	0.2
148.96156	0.2
174.05336	0.2
212.23724	0.2
226.25325	0.3
238.25301	3.6
246.87915	0.2
256.26379	30.2
257.26694	0.4
294.31586	5.0
312.32623	100.0
313.32938	1.4
340.32138	30.8
340.39267	1.2
341.32401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78888	2.2
53.03934	2.8
55.01863	5.4
57.03442	9.8
58.06608	2.7
60.04486	2.0
61.02921	2.6
65.31759	2.3
67.05497	2.7
68.99784	8.9
69.03428	19.8
70.06580	7.6
71.04976	3.1
71.52797	2.7
72.08141	4.4
73.04745	2.2
79.05469	5.2
81.03410	9.3
81.07052	2.6
84.08148	9.9
85.02448	3.8
85.02913	54.9
85.22508	2.2
87.00834	17.2
87.04462	2.2
87.05560	4.1
91.05475	8.7
93.07035	6.0
95.04957	6.8
97.02878	5.7
98.97610	2.9
99.04456	2.4
103.03954	4.0
103.05461	6.7
105.01852	2.8
105.03407	2.2
105.07019	5.0
106.06577	2.6
107.04961	54.7
109.02882	6.5
109.06490	2.4
110.07152	4.7
111.04446	4.0
115.05457	5.6
117.07027	12.9
119.04913	8.2
120.08089	6.5
121.02827	3.2
121.06494	3.7
121.10064	2.7
123.04441	25.4
127.03934	10.8
129.01855	3.9
129.10207	4.0
131.04913	5.4
131.08571	2.7
133.06465	3.7
135.04445	14.6
137.02322	4.4
137.05925	4.9
145.06477	17.0
147.04420	100.0
148.11221	4.0
149.05948	6.9
149.09579	8.7
151.03911	6.8
155.04898	2.9
155.06041	7.5
159.04431	4.8
160.07576	3.2
161.05956	5.7
161.07895	3.4
163.03909	8.8
164.07112	2.3
166.08636	6.2
166.12248	9.4
167.10603	3.0
171.02882	8.2
173.05981	39.6
175.03922	35.3
175.07599	2.3
176.83072	2.1
177.05476	9.6
179.03346	22.1
179.04712	3.1
180.10114	2.8
183.04436	2.4
189.03911	6.9
189.05437	4.2
191.03441	4.5
191.06999	2.6
192.44623	2.1
201.05484	50.0
210.07526	2.9
217.04890	2.4
219.06534	25.0
221.04491	2.6
222.11148	2.6
224.09177	4.3
233.54442	2.3
237.03813	6.6
238.14357	3.1
245.04543	4.9
251.10791	2.4
263.05475	2.9
264.12280	3.9
269.11319	2.4
271.61478	1.9
275.05515	3.2
282.13104	2.6
287.05612	3.3
305.06415	3.8
324.14468	3.6
341.17316	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.4
57.07064	8.0
57.80825	4.2
63.46002	4.8
67.05491	14.2
67.96683	4.6
69.07055	19.4
69.20339	25.8
69.20761	17.3
72.08147	4.9
79.05478	13.1
81.03415	14.8
81.07049	15.0
83.08607	7.4
91.05483	12.5
93.07056	5.9
95.04952	7.2
95.06122	4.6
95.08588	7.7
97.06536	4.2
97.10210	5.5
105.07048	6.1
107.08597	9.1
108.95322	4.4
133.10101	6.3
135.04448	30.8
136.04768	19.9
137.05981	17.3
138.06284	11.4
149.02382	4.9
151.07512	6.8
151.11179	12.9
151.92293	4.8
158.06845	4.6
186.06326	5.1
187.07484	5.9
188.07893	16.1
203.08348	4.6
204.08815	11.4
210.06351	9.2
218.08948	5.5
232.08469	7.7
236.90091	4.7
238.05887	9.9
239.06670	5.5
248.08070	6.9
249.08661	7.7
250.09390	6.3
262.09454	9.2
264.11026	9.1
269.07782	14.9
270.08401	22.2
277.21667	100.0
282.08551	6.9
286.88373	5.5
290.09015	24.6
292.10477	16.6
295.22629	9.3
322.11591	30.3
339.77802	15.4
340.12613	20.6
340.19357	5.9
340.22980	7.7
340.28873	7.8
340.35666	9.0
340.39413	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	340.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05276	0.9
55.05516	12.1
56.05022	1.1
57.07084	3.4
58.06588	2.1
59.05525	0.6
60.04532	24.7
61.07888	0.6
67.05196	0.7
67.05511	10.5
68.05824	0.7
69.07076	18.8
70.17432	1.6
70.17796	1.1
71.04987	1.0
71.08630	1.2
75.69724	0.7
79.05479	2.7
81.07064	12.7
83.08156	1.0
83.08623	13.7
91.05481	2.7
93.07064	3.4
95.08615	11.3
96.08997	0.9
97.06520	1.0
97.10175	8.2
99.08054	0.8
105.07024	2.2
107.08624	3.6
109.10166	7.1
111.08099	0.7
111.11723	2.9
119.08604	3.1
121.10142	2.7
123.08047	0.8
123.11699	2.4
128.14342	1.0
133.10114	2.7
133.30374	0.6
135.11703	1.6
137.09651	2.2
142.15906	8.7
147.11671	2.7
149.13393	0.8
151.11147	1.0
151.14708	0.7
154.12306	3.6
161.13327	1.3
163.14848	0.8
165.12810	0.8
168.17502	0.8
172.13330	2.6
175.14816	1.2
245.22710	2.3
252.26726	0.8
258.56390	0.7
263.23755	4.1
280.26382	11.1
295.09555	0.6
298.27423	12.5
307.87949	0.7
322.27451	3.1
339.78152	0.7
340.28497	100.0
340.39374	1.6
341.29031	0.8
348.18549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.6
54.79805	1.9
55.01864	3.4
57.03440	4.8
61.02937	2.3
68.99755	1.9
69.03082	3.2
69.03429	42.2
71.04984	9.1
71.07350	3.7
72.69536	1.6
73.02908	1.9
78.34216	1.7
81.03423	23.3
83.01314	3.1
85.02907	64.4
87.00830	42.3
87.04468	2.1
91.07957	1.7
97.02892	61.1
99.04446	23.2
99.27862	1.9
101.02353	2.3
105.01864	43.0
109.02905	13.6
125.42579	1.8
126.01032	1.7
127.03921	100.0
145.04965	72.4
147.04442	4.3
148.04738	4.4
159.02875	2.4
171.02817	2.1
189.03951	1.9
213.03940	3.5
231.02716	4.0
231.05014	58.3
235.03159	2.0
249.06061	34.7
281.12317	1.9
294.36719	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	2.1
53.63655	2.2
55.01869	6.0
55.05527	16.3
56.40039	2.3
57.03436	8.2
57.07084	4.4
64.49723	2.5
67.05515	36.8
69.03423	3.3
69.07061	13.3
70.07811	8.9
71.05001	4.0
79.05507	11.2
81.07066	48.0
83.04993	26.5
83.08611	6.4
85.06544	7.7
91.05487	31.7
93.07047	21.8
95.04978	4.8
95.06127	2.9
95.08626	11.1
97.06558	4.3
99.08102	5.5
105.07035	31.7
107.04965	3.1
107.08607	36.7
109.06503	5.8
109.10165	55.6
117.07037	2.9
119.08541	4.7
121.06564	2.7
121.10169	3.6
123.11710	17.7
131.08617	6.5
133.06493	2.9
133.10146	100.0
135.04466	4.4
135.08051	3.2
136.04765	3.1
137.06013	5.3
145.10173	3.1
149.02374	4.1
149.09637	3.0
151.07643	2.7
151.11201	92.1
153.48199	2.4
161.09662	3.8
177.09122	8.5
179.10684	8.5
183.13831	29.7
211.13281	5.0
245.19174	2.6
255.17403	2.8
273.18567	10.2
290.09155	3.3
291.19617	7.5
296.90115	2.4
305.21115	7.0
339.78024	4.5
340.11731	3.3
340.29041	7.9
340.35733	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	339.2896
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03945	1.5
55.05515	26.6
57.03442	11.7
57.07076	12.4
67.05508	18.4
68.13080	0.5
69.07074	36.4
70.20443	1.1
70.20827	1.3
71.04984	1.0
71.08635	5.2
72.04510	0.7
72.08143	0.8
79.05499	8.2
81.06592	1.1
81.07062	19.6
83.04981	1.0
83.08624	21.4
85.06541	1.4
85.10179	3.4
91.05459	1.0
93.07050	11.4
95.08611	20.8
97.06544	3.4
97.07053	0.5
97.09552	0.8
97.10175	13.5
98.81066	0.5
99.08101	1.1
105.07050	1.1
107.08598	6.5
109.10159	10.6
111.08091	2.2
111.11731	5.0
113.09645	0.6
119.08585	0.8
121.10150	10.7
123.11695	3.4
125.09633	1.6
125.13258	0.7
131.08620	0.9
133.10170	1.0
135.11700	7.5
137.13228	0.9
139.11208	1.0
147.11673	1.8
149.13254	3.7
149.29300	0.5
153.12794	0.8
163.14828	1.3
165.16415	1.0
167.14435	0.6
171.66869	0.6
177.16380	1.2
187.83658	0.6
205.19609	0.6
247.24261	4.1
265.25287	5.1
283.17001	1.7
311.31387	0.8
339.28961	100.0
340.29288	1.2
357.70621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1548
Annotation	(R)-Canadine
Peak:m/z	Relative Intensity
55.05506	0.7
59.55217	0.3
79.05477	0.3
81.07032	0.3
83.04970	0.3
83.08617	0.8
91.05496	2.1
95.04977	0.3
95.06085	0.4
98.21494	0.8
100.11271	3.1
103.05505	0.4
105.07066	0.4
107.04971	0.3
111.04494	0.3
116.07126	0.4
118.06542	0.8
119.04960	3.2
125.59214	0.2
131.04900	0.3
131.97940	0.2
135.04422	0.7
137.05980	2.3
141.11522	0.2
144.05540	0.2
146.06029	0.4
149.06003	8.4
150.06754	1.4
151.07539	1.3
159.04428	0.6
159.08000	0.3
161.04747	0.7
161.05981	0.4
165.09155	2.7
173.06017	0.4
174.05516	2.4
174.06813	0.3
176.07092	100.0
177.05499	0.8
177.07407	0.6
178.04898	0.3
182.15431	0.8
187.07623	0.6
189.07805	1.2
192.10229	0.3
209.16519	0.3
210.14885	1.0
213.17816	0.3
217.08594	0.4
226.19107	0.3
227.17578	0.9
229.31462	0.3
248.08452	0.3
252.95474	0.2
259.24771	0.2
263.10547	0.3
276.72678	1.1
277.08823	0.3
291.10165	0.8
292.10297	0.5
306.11221	0.5
308.09872	0.3
308.13062	0.2
309.11166	0.3
310.10767	0.4
311.12796	0.5
323.12738	0.7
324.12277	1.8
340.15491	71.4
341.15671	0.9
343.30725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2535
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03942	2.5
55.05276	3.1
55.05518	40.2
57.03442	10.5
57.07081	15.6
64.57539	2.1
67.05516	27.3
69.03418	5.0
69.07077	62.1
71.04980	2.0
71.08615	8.4
79.05492	12.1
81.07068	64.1
83.08628	38.5
85.10160	2.5
91.05466	3.9
93.07047	16.7
95.08618	35.2
97.06522	4.7
97.10181	15.3
98.20739	5.4
102.58002	2.1
105.07036	4.7
107.08595	8.8
108.71442	2.0
109.10155	17.7
111.08073	3.3
111.11764	2.4
119.08592	5.1
121.10164	15.6
123.11724	37.7
127.11082	2.0
133.10123	3.1
135.11691	12.1
137.13257	2.7
147.11594	2.7
149.13280	5.1
153.12762	67.4
157.10091	2.2
161.13248	2.5
163.14792	3.2
171.13779	2.5
172.50064	2.0
173.13300	2.7
175.14854	3.1
187.14839	2.1
265.25269	5.1
293.24719	3.9
311.31445	2.1
321.24350	3.9
322.31726	2.1
339.28931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92540	1.1
53.03950	5.9
55.01868	4.1
55.05515	9.5
57.07070	1.5
58.06585	3.5
59.04992	2.4
65.03947	1.4
66.40510	1.1
67.05508	5.8
69.03435	44.1
69.07066	7.2
69.45621	3.8
69.46049	3.8
70.38434	1.0
71.04999	18.7
72.44451	1.2
79.05497	15.1
80.98160	1.2
81.03424	100.0
81.07063	37.6
83.04988	4.1
83.08634	1.5
85.02917	8.5
85.06535	2.6
89.03928	4.1
89.73582	1.1
91.05485	17.9
93.07053	23.2
93.25719	1.0
95.01323	5.7
95.04979	9.9
95.08610	10.4
97.02902	6.6
97.06515	3.0
99.04456	7.5
99.08099	25.5
103.05466	2.4
105.07038	20.4
107.04985	5.2
107.08602	13.2
109.02884	6.4
109.06519	19.4
109.10178	7.4
111.04448	5.3
111.08112	3.5
113.06035	1.2
115.03922	1.7
115.05412	1.8
117.03391	10.6
117.07044	5.7
119.04933	10.2
119.08588	8.2
120.66348	1.0
121.06506	10.4
121.10151	4.9
123.04478	1.1
123.08086	8.6
123.11713	1.8
125.06068	1.2
127.03919	8.7
127.06628	2.4
127.07568	45.4
128.06259	6.6
129.06993	6.4
130.07834	1.9
131.04935	2.7
131.08565	7.0
133.06491	7.4
133.10150	8.0
135.04419	3.8
135.08086	2.1
135.11687	7.5
137.05998	7.8
137.09602	5.6
139.07568	2.0
142.07845	1.1
143.08546	5.7
145.01758	2.2
145.02855	30.0
145.04808	1.3
145.06505	4.2
145.10118	8.4
147.04428	5.3
147.08057	13.2
147.11690	4.9
149.05978	5.8
149.09665	3.0
151.03986	1.6
151.07529	9.9
151.11198	14.3
153.12752	1.8
155.08543	4.8
157.06520	3.6
158.07275	1.2
159.08067	4.1
161.05997	2.2
161.09613	4.3
163.03830	1.8
163.07552	1.4
163.11217	5.0
165.05528	1.1
165.09132	6.8
165.12784	12.1
167.07040	1.6
171.08043	15.3
173.09659	17.4
173.13341	1.6
175.04005	1.2
175.07536	19.4
175.11195	2.7
177.05484	51.2
177.09030	1.5
177.12708	1.4
181.12268	2.0
183.07938	2.1
183.10223	1.1
187.06029	17.0
187.07565	2.5
187.14954	1.6
189.05502	1.7
189.09120	23.3
189.12782	1.2
191.07050	1.4
191.10670	17.2
193.12251	4.7
195.06514	2.4
197.09644	1.2
197.13235	1.6
201.09099	7.8
201.12834	1.2
207.06595	3.0
209.11691	6.8
215.06996	1.4
215.14415	2.9
217.12233	1.1
219.08006	3.0
221.06056	1.6
225.12782	3.5
235.07567	2.4
236.07581	1.4
243.13829	6.8
246.06799	1.7
247.07469	2.8
249.09026	1.4
251.10744	1.6
261.14902	10.7
263.07086	1.5
264.07791	1.6
275.06958	1.3
277.08640	1.6
278.09332	1.4
279.10129	2.1
279.15970	1.3
285.07556	1.5
289.08649	1.7
303.23096	1.6
306.08817	1.7
307.09708	6.1
308.10336	1.2
309.11209	1.2
311.12857	3.3
321.09448	7.7
321.16852	1.5
321.24335	2.6
339.04984	2.0
339.08920	2.6
339.12405	15.4
339.18112	10.9
339.24979	2.1
340.15448	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1553
Annotation	Aziridyl benzoquinone
Peak:m/z	Relative Intensity
53.99470	0.4
54.84930	0.4
67.05499	0.6
69.03423	0.7
69.75758	2.5
70.06571	0.7
79.05462	1.7
81.03416	0.9
83.04940	0.6
84.04456	0.5
86.09691	0.5
91.05469	1.7
93.05773	1.0
93.07039	0.7
95.04968	0.8
97.02904	0.5
98.02415	1.1
103.05461	0.7
105.07019	1.6
106.06555	4.4
107.04991	0.5
107.08559	0.7
112.03932	0.6
117.03425	0.8
117.07015	0.7
118.06554	2.7
118.07278	0.5
119.04929	0.9
119.08569	1.1
120.01159	0.8
120.08106	3.5
129.06992	0.6
130.06532	0.9
131.08531	0.6
132.08080	2.6
133.06619	0.5
133.08855	0.8
134.06039	1.7
134.09642	1.5
140.07005	0.6
144.08063	0.9
145.02837	2.5
146.05995	2.6
146.09656	3.4
147.04416	1.8
147.08014	1.0
148.07550	0.8
150.05463	0.5
150.09093	0.7
156.08090	0.6
158.09634	0.8
160.07570	0.5
160.11255	0.7
162.09128	0.5
164.07111	0.8
164.10707	1.3
166.08621	2.5
174.09109	0.8
176.07066	3.5
177.05486	4.5
178.08640	1.9
180.10179	0.8
188.10730	0.9
190.08665	3.0
192.10207	1.9
202.08672	0.6
204.06569	1.3
206.08118	2.4
206.11836	1.9
207.06526	1.0
207.27960	0.5
208.09703	1.5
216.10265	1.0
218.08134	0.9
220.09708	0.9
221.10754	2.4
222.07629	1.3
224.12895	1.3
234.11258	13.0
236.09166	3.7
238.10770	2.8
252.12332	2.1
279.13409	1.3
280.11807	95.4
281.12125	1.0
293.45380	0.4
294.13367	33.7
296.14957	1.1
311.16132	1.1
321.09763	0.8
322.12888	1.6
339.15518	100.0
340.15924	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1591
Annotation	licochalcone a
Peak:m/z	Relative Intensity
55.01876	0.5
55.05516	0.5
67.05513	0.7
69.37658	2.8
70.70398	0.4
76.49409	0.4
79.05509	1.2
80.06312	0.5
81.07056	1.0
83.05005	0.4
91.05486	3.0
93.07041	1.0
95.04958	0.5
98.21548	0.7
103.05470	0.5
107.04961	5.6
107.08566	0.7
108.05724	2.1
115.05463	0.4
121.06516	2.0
122.03636	0.4
122.51427	0.4
123.92970	0.4
125.09528	0.4
127.77277	0.4
128.06200	0.6
129.07053	0.5
133.02901	0.6
133.10135	0.4
134.11749	0.4
135.04414	4.9
136.05203	15.5
137.06033	1.9
141.07021	0.7
149.05986	0.5
151.07553	67.3
157.06480	3.8
158.07297	2.8
158.08441	0.5
159.08070	0.6
163.07535	1.2
165.90894	0.4
172.08806	0.9
173.02385	2.7
175.07565	0.9
179.08464	0.5
185.06059	1.3
186.06779	1.6
187.07561	1.4
188.08380	1.0
189.09109	1.3
191.08582	0.6
193.10150	0.5
195.08257	0.5
201.09114	19.5
202.07809	0.8
202.09731	0.5
203.08589	1.6
203.10533	0.4
206.07303	0.6
207.08058	0.8
215.07005	2.3
218.07330	1.2
219.08144	1.3
220.08904	0.9
221.09668	2.8
222.10391	1.2
223.07468	0.6
225.05440	0.5
231.08138	1.7
232.08760	1.9
233.06024	0.5
233.09586	6.1
234.06778	1.7
234.10422	1.6
235.07616	1.0
235.11168	1.1
236.08379	0.9
237.09148	1.0
238.09972	0.6
239.10706	0.9
245.09636	1.8
246.06752	0.5
246.10451	1.4
247.07483	1.2
247.11057	1.1
248.08365	1.9
249.09137	7.2
250.09904	8.6
251.07092	1.9
251.10680	0.8
253.12163	1.0
255.10146	0.6
261.09106	8.9
262.06223	0.8
262.09818	3.8
263.07056	1.8
263.10669	3.4
264.11530	1.6
265.09027	0.8
265.12256	5.5
266.09375	4.8
267.10056	0.6
269.08041	0.7
275.10736	2.6
276.08051	1.1
276.11432	9.3
277.08621	7.4
277.12210	4.5
278.09436	6.7
278.12350	0.4
279.06653	1.1
279.10175	1.3
280.10922	1.0
281.08557	0.7
281.11719	8.0
289.08630	0.7
291.07245	0.6
291.10086	2.6
292.10977	5.9
293.08444	0.7
293.11722	19.7
294.08902	5.1
294.12146	0.8
295.09955	0.8
295.13187	0.9
296.10587	0.5
298.11990	1.3
305.12018	0.5
306.12274	0.7
307.09811	0.6
307.13272	10.6
308.14069	29.6
309.11218	19.0
309.14215	0.5
311.12711	3.1
321.11282	1.4
323.12805	3.1
324.13577	36.6
339.15912	100.0
340.16129	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1229
Annotation	Rubiginone A1
Peak:m/z	Relative Intensity
53.03969	2.3
55.53797	1.3
61.26080	1.1
65.89128	1.1
70.06113	5.6
71.04994	5.5
79.05498	5.8
91.05496	3.4
105.03435	2.4
105.07126	1.8
115.05475	4.4
119.04966	1.4
122.03696	3.2
122.32155	1.3
128.06236	2.7
129.07022	12.4
131.04919	4.2
133.02864	5.7
135.04425	100.0
137.05991	39.8
137.07076	1.7
143.04948	3.4
144.05714	4.8
145.24950	1.3
147.04512	2.0
149.02319	2.6
149.06000	7.3
151.03917	2.5
151.07570	3.3
157.06496	9.2
160.05249	1.9
161.06017	3.3
163.03902	3.3
163.07550	2.7
165.05489	3.9
167.04909	1.9
172.05209	5.7
173.06007	12.5
174.06749	7.6
175.03937	3.6
175.07484	8.0
177.05531	5.6
179.07036	2.4
182.22978	1.6
184.31102	1.2
185.05983	13.1
187.07562	51.5
189.09128	11.1
190.07922	1.8
191.08568	4.7
196.05191	3.6
199.07495	1.8
202.07784	8.3
203.08572	27.1
205.06549	2.5
208.08855	1.7
209.06006	14.6
210.06744	2.3
211.07568	11.0
215.07051	4.2
217.08589	17.0
218.07245	3.1
219.08075	15.9
220.08899	4.6
221.09686	2.9
223.07536	1.6
225.05515	16.4
226.06294	3.2
231.08093	29.7
232.08783	3.6
233.09703	2.1
234.06738	2.0
235.07437	2.7
236.08290	1.5
237.05586	9.5
237.09207	2.1
238.06261	17.0
239.07054	8.3
246.06787	6.8
247.07524	8.2
248.08342	16.6
249.05562	2.3
249.09129	4.5
251.07040	2.1
251.10715	6.7
252.07797	1.7
253.05037	9.9
254.05803	7.1
256.40076	1.4
259.07513	8.2
260.08301	2.3
261.09106	18.3
262.06400	2.8
262.09280	1.6
263.07028	3.8
263.10672	13.0
264.07861	4.0
266.05637	3.3
268.04703	2.3
268.07346	31.2
269.08130	56.9
274.06250	2.8
275.07056	5.0
276.07877	9.6
277.08652	10.1
278.09293	2.4
279.10196	7.6
281.08066	14.3
289.08627	49.6
290.09210	2.6
291.06635	6.6
291.10193	27.7
293.08255	1.5
294.08887	5.7
295.09705	5.5
305.08081	2.8
306.09015	9.8
309.11295	14.7
311.12842	3.3
321.11221	55.9
339.12292	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.123
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
53.03933	1.3
55.01862	2.1
56.09171	0.8
65.03926	1.2
66.40664	0.6
67.05507	1.7
68.99785	2.0
71.04976	1.0
71.51923	0.7
71.52431	1.3
79.01847	1.1
79.05495	1.7
81.03405	2.9
81.07054	0.8
83.98036	0.6
91.05472	3.2
93.07056	0.9
95.04936	1.2
97.02920	0.8
103.05456	1.1
105.03417	0.8
105.07041	1.1
107.01340	1.3
107.04974	1.3
107.08602	0.8
109.02881	3.1
115.05476	2.0
116.06287	0.9
117.00190	0.7
117.07019	1.0
121.02857	2.0
127.03873	0.7
128.06233	1.6
129.07040	4.7
131.04965	1.4
131.08580	5.9
133.02846	3.1
135.04430	22.3
136.05188	0.9
137.02356	8.6
137.05988	10.3
141.06989	1.7
144.05698	3.0
145.02829	2.2
145.06496	1.5
147.04422	1.1
149.05995	2.1
151.03922	29.6
151.07556	6.6
152.06299	0.9
157.06511	5.6
157.28786	0.7
158.07295	4.4
159.04456	1.0
159.08049	11.4
161.05937	1.5
163.03882	1.8
165.05602	1.5
165.06978	1.7
169.07620	1.1
171.08054	1.4
172.05234	2.1
172.08824	1.0
173.05989	4.1
173.09619	1.8
174.06769	2.1
175.03932	1.4
175.07564	3.2
176.08318	0.7
177.05510	4.2
177.06874	0.9
177.09073	1.2
178.07814	2.4
179.08537	1.7
181.06477	1.0
183.07961	0.9
185.05975	3.0
186.06740	0.7
187.05881	1.5
187.07564	26.9
189.05496	1.3
189.06927	1.4
189.07239	1.3
189.09103	5.1
190.07770	1.4
191.08600	3.0
193.10213	1.0
195.08109	3.1
197.05919	0.7
201.05513	2.9
201.09167	8.9
202.09904	89.4
203.08568	7.2
203.10249	1.3
205.06482	2.1
206.07332	4.7
207.08076	2.8
208.08777	1.3
209.06065	5.1
209.09535	2.4
210.10382	1.6
211.07585	4.6
215.07024	1.2
217.06659	1.5
217.08626	3.4
218.07204	1.8
219.08112	5.0
220.08842	2.3
221.06015	1.7
221.09593	3.9
222.06885	1.1
223.07520	4.3
224.08348	0.9
225.05502	3.6
225.09125	1.8
226.09898	1.7
227.07117	1.0
231.08026	6.6
232.08867	1.3
233.06006	2.9
233.09544	0.8
234.06790	8.4
235.07571	9.9
236.08234	2.0
237.05522	3.7
237.09163	2.5
238.06160	3.3
238.09901	2.3
239.07007	2.3
239.10732	2.8
241.12169	1.3
245.05975	1.2
246.06775	1.1
247.07599	4.0
248.08398	5.8
249.05446	3.1
249.09123	25.4
250.06248	1.6
250.09978	3.9
251.07034	11.1
251.10672	2.1
252.07887	0.9
253.04977	1.3
253.12430	1.6
254.05775	2.8
254.09103	0.8
259.07523	2.1
260.08383	1.0
261.06366	1.1
261.09055	6.8
262.06317	2.6
262.09955	1.5
263.07068	13.9
263.10654	4.0
264.07794	3.3
265.08646	6.0
266.05841	2.1
266.09375	3.5
267.06494	1.3
267.10117	0.9
268.07303	4.9
269.08102	12.6
270.08939	0.9
274.06290	1.0
275.07040	6.5
276.07913	7.3
277.08618	42.5
278.06100	1.2
278.09393	18.3
279.06564	7.9
279.10141	4.2
281.08130	9.9
281.11740	10.9
283.09656	0.8
289.08624	10.4
290.09525	3.7
291.06595	2.6
291.10159	7.2
292.07324	4.2
293.08154	9.0
293.11487	1.4
294.08798	11.6
295.09683	1.9
296.10370	1.0
305.08038	1.4
306.08972	3.6
307.06219	1.1
307.09668	17.8
308.10422	13.4
309.07605	7.2
309.11234	21.2
311.09210	1.4
311.12817	2.9
321.11282	14.3
323.09097	1.3
324.09943	18.5
339.12292	100.0
340.12558	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	339.1226
Annotation	Rubiginone A1
Peak:m/z	Relative Intensity
50.08912	2.1
53.03943	2.7
57.07057	2.3
58.06590	4.2
63.47900	1.9
69.76371	12.2
71.04987	10.4
79.05476	6.9
81.07037	2.5
91.05463	6.9
93.06998	2.7
95.04972	4.2
95.08597	4.2
96.36836	2.0
98.20907	3.4
98.21401	3.9
98.97589	2.4
103.05447	2.6
105.07015	2.5
109.06507	2.3
112.88470	2.1
115.05441	4.8
119.04940	4.9
122.03635	6.5
128.06233	3.1
129.06975	14.7
131.04922	4.3
133.02832	5.5
135.04424	100.0
137.05994	55.7
139.05469	2.6
144.05687	3.8
147.04425	5.3
149.02287	2.8
149.05991	8.6
151.03957	5.2
151.07558	7.1
157.06493	9.8
160.05217	3.6
165.05486	5.6
172.05209	7.2
173.06001	11.5
174.06810	11.0
174.08040	2.0
175.03931	4.4
175.07523	11.0
177.05455	7.7
179.07028	2.9
185.06009	18.3
187.07564	45.1
189.09109	16.6
190.76375	2.4
191.08519	6.7
199.07472	3.5
202.07768	6.5
203.08585	28.6
206.07225	2.4
209.05992	19.8
211.07640	12.1
215.06828	3.3
217.08629	16.5
218.07320	3.2
219.08034	14.3
220.08806	4.9
224.08366	3.0
225.05482	26.7
226.06148	3.6
231.08105	29.0
232.08829	5.3
233.09703	3.4
236.08299	3.2
237.05521	10.8
237.09085	2.3
238.06270	17.3
239.06944	10.6
246.06755	6.1
247.07547	9.1
248.08391	12.8
249.09097	5.9
251.10692	7.3
253.05060	17.2
254.05750	10.1
259.07602	8.0
260.08325	5.2
261.09131	21.2
263.07050	4.8
263.10666	17.1
265.08453	2.6
266.05734	4.4
267.06494	2.8
268.07343	42.8
269.08115	58.8
274.06244	4.3
275.07025	2.9
276.07816	9.7
277.08612	9.4
279.10040	8.7
281.08109	18.3
289.08597	52.6
290.09363	2.5
291.06674	5.6
291.10086	35.3
292.07196	2.4
293.08261	2.6
294.08713	6.0
295.09589	4.8
303.10031	3.5
306.08856	9.6
307.09717	2.1
309.11179	15.8
311.12677	4.9
321.11212	63.6
339.12222	36.8
339.15726	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1229
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
52.90767	0.4
53.03939	0.8
55.01871	2.2
58.06600	0.4
65.03936	1.3
67.05491	1.3
68.99799	2.0
69.03430	0.7
69.79527	1.5
71.01336	0.4
73.63699	0.4
79.01844	0.6
79.05496	0.5
81.07047	0.7
85.02914	0.5
89.03932	0.5
91.05470	1.1
93.03395	1.2
93.07053	0.4
95.04966	0.7
95.08614	0.7
99.86661	0.4
103.05466	0.9
105.03388	1.2
105.07030	0.8
107.01328	1.4
107.04926	0.6
107.08666	0.4
109.02899	0.9
109.10123	0.6
115.05454	1.9
117.03382	1.8
117.07016	0.5
119.04887	0.5
121.02864	1.4
121.06488	0.5
123.04464	0.6
128.06238	0.8
129.06967	1.8
131.08582	5.0
133.02850	4.2
133.06509	0.5
135.04434	7.2
136.05261	0.9
137.02347	10.8
137.05957	2.0
141.07016	1.1
143.04871	1.0
144.05730	2.0
145.02861	4.3
145.06494	1.2
146.07291	0.6
147.04414	0.5
149.02357	1.7
149.06003	1.1
151.03912	29.2
151.07530	7.7
157.06520	2.6
158.07285	3.8
159.04451	0.5
159.08064	12.0
161.05959	0.6
163.03906	0.9
163.07535	0.5
165.05498	1.5
165.06909	0.8
167.08539	0.6
169.07661	1.0
171.04402	1.0
171.08089	1.0
172.05246	0.9
172.08862	0.9
173.05983	1.1
173.09596	1.3
174.06764	0.8
175.03897	0.7
175.07544	1.3
177.05478	8.7
177.06908	0.3
177.09074	1.1
178.07779	2.5
179.08530	1.0
181.06502	0.8
183.08109	0.9
185.06047	0.6
186.06769	1.2
187.07553	17.7
189.05490	0.6
189.07022	1.4
189.09111	3.3
190.07788	1.3
191.08568	1.8
193.06450	0.5
193.10130	0.9
195.08067	3.1
196.08736	0.8
201.05418	3.5
201.09129	8.9
202.09898	91.4
203.08585	1.1
203.10240	1.3
205.06514	2.7
206.07286	6.1
207.08113	2.0
208.08867	1.1
209.06087	0.7
209.09583	1.8
210.06845	0.5
210.10509	0.8
211.07518	1.5
211.11253	0.7
212.08295	0.6
213.09171	0.6
215.07089	1.2
217.06563	0.6
217.08580	1.5
218.07303	1.2
219.08067	4.0
220.08815	1.1
221.06021	1.1
221.09586	3.4
222.10434	1.1
223.07539	5.3
224.08290	0.6
225.09134	1.7
226.09894	1.4
227.06956	0.7
227.10625	0.9
231.08055	1.2
232.08720	0.7
233.06007	1.3
233.09631	1.1
234.06778	8.9
235.07565	9.4
236.08267	1.4
237.05502	0.8
237.09134	2.5
238.09833	2.7
239.07030	0.9
239.10690	2.0
241.08746	0.4
241.12144	1.0
243.06493	0.4
245.06021	1.0
246.06787	0.8
247.07581	4.0
248.08339	2.4
249.05399	1.4
249.09128	24.4
250.06358	0.7
250.09824	3.2
251.07043	10.1
251.10657	1.4
252.07831	1.0
253.08601	1.7
253.12286	1.2
254.09262	0.6
255.10210	1.2
259.07440	0.7
260.08322	0.6
261.05502	0.7
261.09122	2.0
262.06305	2.5
262.09903	1.4
263.07056	12.9
263.10535	1.1
264.07806	3.9
265.08600	5.2
266.05841	1.0
266.09378	3.9
267.06580	0.5
267.10129	1.4
269.07983	0.4
270.08972	1.1
275.07059	6.3
276.07806	6.0
277.05344	1.7
277.08597	42.1
278.06128	0.8
278.09369	15.8
279.06525	6.7
279.10117	4.0
280.10989	0.6
281.08136	5.5
281.11740	9.8
283.09671	1.2
285.07654	0.9
289.08640	1.2
290.09418	3.5
291.06528	2.5
291.10168	2.8
292.07336	5.0
293.08096	7.5
293.11670	1.5
294.05569	0.7
294.08856	10.1
295.09576	1.2
296.10358	0.9
303.10187	0.7
303.23206	0.6
304.10995	0.4
306.08926	2.5
307.09647	18.8
308.10416	14.8
308.13968	0.9
309.07605	8.0
309.11227	22.9
311.09372	0.7
311.12686	1.9
321.11252	7.4
323.09155	1.4
324.09927	17.9
330.41678	0.4
339.12286	100.0
340.12677	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.123
Annotation	Rubiginone A1
Peak:m/z	Relative Intensity
53.03935	1.8
67.05481	1.7
69.07055	2.5
70.77417	1.6
70.77747	3.4
71.04983	7.6
73.55850	1.9
77.03964	1.5
79.05492	8.2
81.03411	4.1
81.07039	3.4
91.05475	4.1
93.03439	2.2
95.04966	2.2
105.03403	2.8
105.07029	3.7
107.04936	2.1
109.06522	1.9
109.10180	1.5
111.04447	2.3
115.05467	3.3
117.03358	2.6
117.07034	2.1
119.04905	3.5
121.06530	2.9
122.03664	4.9
122.38980	1.5
128.06241	4.2
129.07030	12.2
131.04907	5.4
133.02855	6.8
135.04427	100.0
137.05986	57.6
143.04926	2.0
143.08580	2.3
144.05693	4.9
145.02824	5.9
145.06439	2.7
146.03940	1.7
147.04398	6.2
147.78979	1.9
149.02318	2.8
149.06003	9.5
151.03899	5.2
151.07568	8.2
155.04781	1.6
157.06503	14.1
158.07228	2.0
161.05991	3.5
161.09619	1.7
163.03979	3.6
165.05481	3.4
165.07056	2.1
171.08052	2.4
172.05215	7.3
173.06009	12.0
174.06758	9.8
175.03949	4.4
175.07581	11.9
176.08228	1.9
177.05502	15.8
177.06944	2.5
177.09032	1.8
179.07004	2.5
181.06534	1.6
185.05988	18.9
187.07553	49.3
189.05420	2.5
189.07504	1.9
189.09149	15.1
190.07825	3.9
191.07085	1.7
191.08620	5.5
195.08031	1.6
196.05222	2.6
197.05977	3.3
199.07536	5.2
202.07741	6.1
203.08574	31.0
205.06432	4.6
208.08887	2.6
209.06009	16.3
210.06662	2.8
211.07587	11.6
215.07022	7.5
217.08621	21.2
218.07175	3.5
219.08070	12.9
220.08842	5.3
221.06068	1.8
221.09589	1.7
222.06836	2.6
223.07584	2.5
225.05519	11.5
226.06271	4.1
231.08083	30.2
232.08771	3.8
233.06007	4.0
233.09552	2.8
235.07561	6.0
236.08316	4.9
237.05528	14.4
237.07800	1.7
237.08986	2.4
237.95485	1.8
238.06239	14.0
239.07104	7.7
246.06755	7.3
246.09143	1.6
247.07558	13.6
248.08340	19.0
249.05447	3.2
249.09088	6.1
251.07117	3.1
251.10661	8.8
252.07814	2.8
253.04953	12.9
254.05794	11.9
259.07535	9.9
260.08286	3.8
261.09149	22.3
262.06357	1.7
263.07059	6.1
263.10632	14.7
264.07849	5.7
265.08609	3.4
266.05820	4.7
266.09103	1.8
268.07336	30.3
269.08093	55.3
270.08536	2.0
274.06351	3.4
275.06927	4.3
276.07819	10.0
277.08646	11.8
278.09314	3.7
279.06955	2.4
279.10110	13.3
281.08176	16.9
281.11392	2.6
286.07880	1.6
288.08078	2.0
289.08612	43.3
290.09262	4.1
291.06552	7.5
291.10156	34.4
293.08066	4.1
293.11346	1.8
294.08823	5.9
295.09824	7.2
303.10211	3.1
305.08151	2.4
306.08853	11.0
307.09586	5.4
309.08075	2.8
309.11279	18.6
311.12823	6.9
321.11246	60.1
321.16949	2.7
339.08652	3.1
339.12265	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.4
57.03427	2.0
57.07066	3.5
67.05516	3.5
69.07063	4.2
69.67965	5.5
69.68379	3.0
70.07397	1.6
71.04985	6.7
79.05501	6.1
81.07058	6.1
82.07381	2.4
83.08612	2.1
86.64467	1.4
90.68166	1.5
91.05482	4.8
95.04977	2.2
95.08572	1.8
97.10194	1.6
99.76390	1.4
105.03406	2.0
107.04932	1.6
107.08614	1.6
115.05451	3.3
117.07047	2.3
119.04971	1.8
120.85677	1.4
121.10149	2.0
122.03630	4.4
123.04469	2.1
128.06219	3.1
129.07001	14.3
131.04959	4.4
131.08548	1.9
133.02841	4.8
135.04414	100.0
137.05978	59.4
139.05385	2.2
143.04901	3.6
144.05743	3.1
145.06480	2.0
147.04434	3.2
149.02332	6.0
149.05981	7.9
151.03880	2.1
151.07553	4.2
153.06955	1.5
157.06534	7.8
159.04425	2.2
160.05254	2.3
161.05951	2.6
163.03966	1.9
163.07558	2.4
165.05475	4.3
168.05785	1.8
171.08064	2.4
172.05203	6.3
173.06000	13.5
174.06754	5.3
175.03903	4.6
175.07565	11.7
177.05470	6.8
177.06857	1.8
179.07001	2.2
185.05962	16.8
187.07532	41.1
189.07498	2.1
189.09094	11.6
190.07944	2.1
191.06992	2.6
191.08612	4.5
193.05008	7.2
197.05978	3.9
199.07509	5.6
202.07713	7.8
203.06734	1.9
203.08557	31.9
205.06558	2.9
209.05966	19.6
211.07550	10.0
215.07033	5.8
217.08557	17.7
218.07292	2.3
219.08051	10.6
220.08867	5.7
221.09584	1.9
225.05441	13.3
231.08052	34.0
232.08781	2.7
233.05995	2.3
233.09633	2.7
235.07545	3.7
236.08177	1.6
237.05470	15.0
238.06178	8.3
239.06967	10.1
239.87746	1.4
241.08690	1.5
246.06744	4.5
247.07602	9.0
247.58966	1.5
248.08336	16.8
249.09149	6.9
251.06961	2.2
251.10674	4.1
252.07741	1.8
253.05020	10.8
254.05711	8.9
259.07654	11.4
260.08279	2.5
261.09094	27.2
262.06277	3.2
263.07074	4.4
263.10684	15.2
264.07751	2.9
265.08746	2.0
266.05756	4.1
268.07260	24.7
269.08069	49.8
275.06982	4.2
276.07706	8.3
277.08582	8.6
278.09506	3.6
279.06827	2.4
279.10178	8.6
281.08163	12.2
281.10788	2.1
289.08600	55.2
290.09122	3.6
291.06543	4.9
291.10114	25.4
293.08020	2.1
294.08749	4.7
294.24268	1.8
295.09677	4.3
305.08258	1.9
306.08856	9.6
307.09570	2.0
309.11145	14.6
311.12555	3.2
321.11224	52.8
339.12265	40.7
339.27808	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1229
Annotation	Rubiginone A1
Peak:m/z	Relative Intensity
52.17735	1.5
53.03950	1.9
53.66600	1.5
55.05508	4.2
57.07073	7.7
67.05500	5.4
69.07069	2.9
69.35117	14.2
70.06576	2.2
71.05000	5.0
71.08640	4.3
74.24557	1.6
77.03926	1.8
79.05493	5.8
80.77723	1.6
81.07063	5.8
88.02324	1.7
88.07648	2.6
91.05483	7.2
93.07065	2.4
95.08626	3.7
98.20709	2.9
102.09216	2.1
103.05452	2.1
105.03407	3.0
107.04942	2.4
109.06528	1.8
109.10081	1.7
115.05431	5.0
117.07030	4.1
122.03651	4.9
124.30853	1.7
128.06229	2.5
129.07027	12.6
129.53253	1.6
131.04988	3.9
131.55765	1.8
133.02869	5.0
135.04430	100.0
135.11662	2.0
137.05988	57.3
143.04979	2.4
144.05670	3.5
145.06487	3.6
146.12709	1.7
147.04417	3.4
149.02367	13.1
149.05972	7.2
151.03915	5.9
151.07547	5.6
157.06485	9.4
159.04411	2.8
160.05161	2.9
161.06023	2.9
163.03932	3.6
163.07579	1.9
165.05449	2.7
172.05228	5.8
173.06007	13.6
174.06789	7.2
175.03911	3.8
175.07571	11.9
177.05534	4.2
177.09149	1.6
182.07307	1.7
185.06029	11.0
187.07556	40.2
189.09120	15.5
190.07738	2.6
191.08604	6.7
193.04985	22.8
196.05220	2.9
197.05867	2.0
199.07582	5.3
202.07848	5.3
203.08589	34.7
205.06555	2.3
209.05957	17.7
211.07587	12.4
215.07098	4.7
217.08574	15.2
219.08028	8.4
220.08846	5.5
221.09554	2.7
223.07413	1.9
224.65678	10.8
225.05420	12.7
226.06332	1.6
230.07109	1.7
231.08075	32.4
232.08894	4.6
233.06003	3.6
233.09381	2.3
235.07416	2.6
236.08392	2.7
237.05505	14.3
238.06238	8.3
239.07065	7.9
246.06810	5.3
247.07571	6.8
248.08348	13.0
249.09163	6.4
251.10735	4.9
253.04991	10.7
254.05794	6.9
256.26419	7.2
259.07611	11.7
260.08209	3.1
261.09134	21.9
262.06274	2.2
263.07034	3.7
263.10709	15.1
264.07788	3.2
265.08658	2.4
266.05695	3.3
268.07343	26.5
269.08118	48.9
274.06006	2.1
275.07031	3.6
276.07870	6.3
277.08591	5.8
278.09232	3.0
279.10077	7.4
279.12885	2.0
281.08121	10.5
281.11197	2.3
289.08615	57.5
291.06693	4.0
291.10126	29.4
293.07666	1.8
294.08759	5.5
295.09607	3.9
303.10468	2.0
305.08246	3.2
306.08871	10.5
307.12558	2.5
309.11194	16.4
311.12723	3.6
321.11246	59.2
339.08319	3.9
339.12149	43.1
339.18729	2.3
339.27704	47.2
339.77814	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	339.123
Annotation	Rubiginone A1
Peak:m/z	Relative Intensity
53.03941	2.1
54.25542	1.3
55.05518	9.2
56.98977	1.2
57.03430	3.5
57.07066	4.1
67.05515	7.1
69.06728	1.2
69.07073	11.1
69.42067	1.1
71.04996	6.2
71.08640	1.5
79.05495	7.9
81.07072	8.2
83.08615	8.0
85.10191	1.5
91.05489	3.6
93.07037	3.2
95.04941	2.0
95.08614	6.7
97.06528	1.1
97.10187	3.2
103.05495	1.7
105.03397	2.6
105.04482	1.2
107.04972	1.4
107.08613	1.8
109.06527	1.2
109.10155	3.6
111.11745	1.2
115.05460	2.1
117.07031	2.6
119.04966	2.2
121.10139	4.0
122.03622	2.4
123.04509	1.2
123.11714	1.9
128.06221	3.7
129.07014	12.0
131.04924	2.9
131.08582	1.4
133.02856	5.8
135.04431	100.0
135.11699	2.2
137.05992	39.1
143.04948	1.5
143.29219	1.2
144.05727	4.4
145.06467	1.7
147.04419	3.1
149.02393	2.4
149.05997	4.7
149.13348	1.5
151.03883	2.4
151.07544	3.3
153.06902	1.3
157.06485	7.6
158.07306	1.7
159.04448	1.8
160.05205	1.6
161.05969	4.2
163.03960	2.0
163.07567	1.7
165.05450	2.3
171.07996	1.5
172.05222	7.4
173.06030	11.3
174.06754	8.6
175.03931	4.3
175.07559	7.3
177.05484	3.3
177.09215	1.6
179.06949	1.4
181.06519	1.3
185.05997	10.5
187.07565	45.9
189.09119	12.7
190.07751	1.6
191.08557	4.1
196.05148	3.3
197.05974	1.3
199.07588	3.9
202.07780	5.6
203.08591	24.8
205.06511	3.2
206.07204	1.4
208.08931	2.0
209.05997	14.1
211.07532	8.0
215.06963	5.0
217.08621	15.3
218.07231	2.0
219.08043	11.9
220.08907	5.3
221.05988	1.6
221.09576	2.5
225.05486	13.5
226.06180	2.6
231.08084	25.5
232.08829	4.3
233.05992	2.9
235.07510	3.3
236.08406	2.3
237.05476	8.2
237.08920	1.3
238.06233	14.2
239.07072	7.9
241.08607	1.4
246.06902	5.5
247.07512	6.3
248.08372	14.6
249.09172	6.1
251.06912	1.6
251.10663	3.2
252.07866	2.4
253.05046	8.5
254.05783	9.9
259.07599	9.9
260.08298	4.4
261.09122	16.8
263.07486	5.9
263.10669	11.9
264.07770	3.7
265.25250	1.3
266.05704	3.8
267.06461	1.9
268.07324	24.4
269.08096	52.2
270.14798	1.3
274.06302	1.7
275.07098	5.0
276.07880	6.7
277.08633	9.1
278.09378	1.6
279.06662	2.0
279.10126	5.7
281.08121	12.0
289.08606	40.5
290.06079	1.1
290.09229	4.0
291.06653	4.0
291.10129	27.1
293.08115	1.7
294.08951	5.1
295.09631	3.9
303.10086	1.5
305.08084	2.2
306.08887	6.7
307.09344	1.5
309.11172	14.0
311.12799	2.3
321.11221	45.6
322.11530	1.2
339.12302	27.6
339.28940	25.6
339.34863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1228
Annotation	Rubiginone A1
Peak:m/z	Relative Intensity
53.03947	3.6
55.05516	30.3
57.03436	15.0
57.07071	11.7
67.05510	22.4
69.07071	47.5
69.37292	10.5
69.37720	13.6
71.04991	11.0
71.08625	9.8
73.70254	3.3
79.05500	15.4
81.03426	8.1
81.07057	31.2
83.04962	4.0
83.08620	28.3
85.10162	3.0
91.05492	6.7
93.07059	11.3
95.04963	3.3
95.08616	28.1
97.06513	5.7
97.10181	14.0
98.21514	5.6
105.03508	3.0
105.07049	5.9
107.08596	9.8
109.10152	11.0
111.11743	4.1
121.10213	15.5
126.95858	3.2
129.06998	11.4
131.08588	3.8
133.02911	5.1
133.10168	6.5
135.04420	80.5
135.11690	7.6
137.05983	39.8
144.05772	4.1
147.04413	3.8
149.05971	3.9
149.13199	5.3
151.07594	4.4
151.11165	5.7
157.06506	5.3
161.06076	3.4
172.05229	5.7
173.06027	8.7
174.06767	6.0
175.03906	4.0
175.07549	18.0
177.05475	4.6
185.06050	13.5
187.07550	35.3
189.09106	11.0
191.08641	3.1
197.58968	3.1
199.07631	4.3
203.08601	21.6
209.04243	3.3
209.05945	15.4
211.07588	10.9
217.08618	13.3
219.08035	7.7
220.08846	4.5
225.05481	17.4
231.08000	19.0
237.05461	8.8
238.06236	12.0
239.06931	4.5
246.06834	3.6
247.07655	5.9
247.24303	3.4
248.08366	15.7
249.09261	4.3
251.10641	7.0
253.05026	13.0
254.05792	8.6
259.07523	10.2
261.09137	17.4
263.06937	7.2
263.10754	13.7
265.25159	5.7
268.07379	30.2
269.08084	53.7
275.07224	5.8
276.07742	4.8
277.08664	4.0
279.10275	5.3
281.08057	15.5
289.08621	38.9
290.09396	4.4
291.06860	4.4
291.10138	22.6
294.08810	5.6
295.09863	3.8
304.71753	3.2
306.08847	6.4
308.38101	3.1
309.11212	16.0
321.11218	52.3
339.12381	29.9
339.28900	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1229
Annotation	Rubiginone A1
Peak:m/z	Relative Intensity
53.03934	1.9
63.19992	1.7
69.07093	2.2
69.74051	8.3
71.04993	5.9
71.79237	1.9
72.46611	1.6
79.05495	5.6
90.72626	1.8
91.05498	4.5
94.04192	2.5
98.29773	1.7
105.03400	3.2
115.05435	2.9
117.07008	2.0
122.03629	2.7
129.06999	9.4
131.04929	3.2
133.02861	3.7
135.04425	100.0
137.05986	46.9
143.04839	2.2
144.05742	2.6
149.02376	2.7
149.06026	6.2
151.03900	4.2
151.07578	3.8
157.06491	7.0
161.05995	4.1
163.03929	2.5
163.07668	2.2
165.05484	4.1
172.05217	3.1
173.06009	12.0
174.06760	6.3
175.03938	3.7
175.07576	11.5
177.05484	6.0
177.09238	1.9
179.07158	2.8
181.86533	1.9
185.06012	15.1
187.07547	40.0
189.09189	12.7
191.08578	4.4
192.09192	2.1
194.56517	1.6
196.05252	2.3
199.07574	3.6
201.56171	1.8
202.07809	7.1
203.08572	34.9
205.06799	1.6
209.06024	25.0
211.07539	10.6
215.07011	4.5
217.08575	13.5
218.07330	1.9
219.08064	11.6
220.08791	2.9
221.09663	2.1
225.05486	13.9
226.06232	2.2
231.08046	30.4
232.08817	3.3
233.06017	1.9
235.07443	3.4
237.05450	16.8
238.06203	9.2
239.07126	9.4
246.06779	5.1
247.07520	7.0
248.08347	17.6
249.09135	6.3
251.10641	4.3
253.04965	11.5
254.05759	8.5
259.07571	11.5
259.97195	1.7
260.08319	4.2
261.09164	21.0
263.07034	4.5
263.10724	13.8
264.07831	2.5
266.05856	2.9
268.07327	24.6
269.08130	50.6
271.34860	1.7
275.07031	2.5
276.07806	8.2
277.08612	9.4
278.09384	1.8
279.10129	6.4
281.08194	13.1
289.08636	52.5
290.09354	3.7
291.06631	5.4
291.10059	27.0
294.08911	6.0
295.09561	4.5
306.08820	8.6
309.11261	16.1
311.12808	3.8
321.11227	57.3
322.11661	2.5
339.12247	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.123
Annotation	Rubiginone A1
Peak:m/z	Relative Intensity
53.03913	1.3
54.07160	1.0
55.05508	2.3
57.07064	1.5
65.03940	1.1
67.05487	1.9
69.07071	1.4
71.05007	7.8
71.37151	1.6
77.03928	1.6
79.05494	4.9
81.07055	2.5
82.27981	1.2
83.08607	1.2
89.39584	1.0
91.05479	3.5
93.03381	1.3
95.04962	2.3
95.08586	1.2
100.42336	0.9
102.66591	1.0
103.05438	2.2
105.03362	1.5
105.07049	1.1
106.52152	1.2
107.04960	2.0
109.06570	1.2
109.10172	1.3
111.04404	1.3
115.05445	2.6
117.07027	2.6
119.04919	2.9
122.03667	3.4
123.04358	1.3
128.06235	2.3
129.07024	13.7
131.04933	3.0
133.02852	4.7
135.04427	100.0
137.05984	57.0
137.07071	1.3
141.06912	1.0
143.04930	1.8
143.08601	1.6
144.05719	2.9
145.06458	2.8
147.04410	4.1
149.02330	2.0
149.06000	7.5
151.03885	3.1
151.07529	3.1
155.06093	1.2
157.06523	10.0
160.05179	1.7
161.05981	3.6
163.03876	1.6
163.07529	1.8
165.05553	2.5
165.06866	1.3
167.04916	2.1
172.05191	6.4
173.06000	13.3
174.06772	6.7
175.03893	4.0
175.07545	10.5
176.04578	1.1
176.08093	1.2
177.05460	4.0
179.07001	1.8
181.06496	1.3
185.05968	11.4
187.05876	2.0
187.07564	39.4
189.09119	13.7
190.07780	2.6
191.08592	4.8
193.04866	1.9
193.10159	1.3
196.05243	3.4
197.05942	1.9
198.06819	1.4
199.07506	3.5
202.07811	7.1
203.06708	2.1
203.08565	34.4
205.06552	2.3
207.08115	1.1
208.08907	1.8
209.05994	20.8
211.07562	11.9
215.07043	4.7
217.08623	13.5
218.07346	2.1
219.08070	12.7
220.08862	5.2
221.09706	1.2
222.06781	1.6
224.65872	1.0
225.05484	13.6
226.06180	2.2
231.08076	29.3
232.08836	3.3
233.06018	3.4
233.09550	2.6
234.06670	1.1
235.07530	2.9
236.08339	2.3
237.05502	11.8
237.09140	2.0
238.06271	13.4
239.07092	7.6
246.06813	5.0
247.07532	9.3
248.08363	14.7
249.09195	5.7
251.07083	1.7
251.10663	4.4
252.07809	2.0
253.04971	8.8
254.05721	8.9
259.07602	9.6
260.08273	5.1
261.05450	1.3
261.06000	1.5
261.09116	19.2
262.06119	1.2
263.07031	4.1
263.10690	15.7
264.07693	2.3
266.05756	3.8
267.06570	2.2
268.04416	1.2
268.07309	27.0
269.08105	50.8
274.06259	3.1
275.06976	3.9
276.07895	7.6
277.08578	9.1
278.09283	1.7
279.07266	1.5
279.10168	8.4
281.08118	12.0
281.11401	1.8
282.08643	1.7
283.09515	1.3
289.08600	48.3
290.09357	2.3
291.06622	4.2
291.10114	28.6
293.08139	1.7
294.08972	5.0
295.09656	5.0
305.08066	1.4
306.08920	9.1
309.11249	15.8
311.12741	3.1
321.11224	46.4
322.11484	1.1
339.12259	38.4
339.27884	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	339.1229
Annotation	Rubiginone A1
Peak:m/z	Relative Intensity
55.01865	1.8
57.97410	1.8
69.30674	1.7
69.72702	6.1
69.73114	3.8
71.04984	7.5
79.05493	6.7
91.05480	5.5
93.03396	2.6
98.21461	2.8
103.05443	2.6
115.05450	5.2
122.03661	4.9
128.06213	4.0
129.07008	16.2
130.48764	1.8
131.04924	4.7
131.08548	2.5
133.02858	5.2
135.04427	100.0
136.04846	1.7
137.05989	54.8
143.04912	3.4
144.05672	3.8
146.07166	2.0
147.04407	5.3
149.02292	2.3
149.05974	6.6
151.03860	2.5
151.07549	3.4
157.06502	10.6
160.05150	2.5
163.04001	2.5
163.07539	2.7
165.05505	6.8
171.08119	2.8
172.05199	6.9
173.06020	13.9
174.06769	7.0
175.03957	3.8
175.07539	10.1
177.05464	4.3
179.06955	2.6
185.06021	12.8
187.07558	42.0
189.05521	2.2
189.09151	13.6
191.08571	5.5
196.05209	2.2
197.06018	2.2
199.07524	3.7
202.07735	6.5
203.08586	30.9
205.06564	4.6
209.05975	21.1
211.07542	12.8
211.30821	1.8
215.07021	4.1
217.08623	16.0
219.08099	10.9
220.08875	5.8
222.06625	2.4
223.07423	2.0
225.05507	16.5
226.06122	2.4
231.08090	30.4
232.08804	5.2
233.05968	3.3
233.09538	1.9
235.07465	2.8
236.11014	1.7
236.17914	1.6
237.05495	14.7
238.06238	12.6
239.07034	6.2
246.06764	5.4
247.07607	9.6
248.08339	14.6
249.05467	2.2
249.09070	6.5
251.07019	3.0
251.10727	6.7
253.04961	10.4
254.05692	10.3
259.07510	8.2
260.08231	5.7
261.09155	20.6
262.06454	1.8
263.07205	4.1
263.10645	14.7
264.07892	3.1
266.05792	4.5
268.07349	29.5
269.08115	51.3
274.06482	2.1
275.07224	3.8
276.07794	9.4
277.08575	10.4
278.09430	3.0
279.10211	7.7
281.08099	16.9
289.08603	53.2
290.09286	2.5
291.06921	3.2
291.10147	31.2
294.08823	3.0
295.09583	6.0
306.08820	8.6
309.11157	17.7
311.12869	3.4
312.76184	1.8
321.11240	57.4
339.12308	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1228
Annotation	Rubiginone A1
Peak:m/z	Relative Intensity
65.03914	2.0
66.78951	2.0
69.43588	11.4
71.04999	7.4
79.05479	4.0
81.07086	2.2
81.12582	2.0
91.05495	2.3
101.44221	2.0
105.03416	2.8
112.90161	1.9
115.05469	2.7
119.04911	2.8
122.03650	4.9
128.06276	2.7
129.07039	12.0
131.04929	3.6
131.08507	2.1
133.02882	4.4
135.04425	100.0
137.05997	48.5
144.05705	4.1
145.06488	2.9
147.04410	4.3
149.05980	7.9
151.03899	2.5
151.07573	3.5
157.06526	7.5
161.06042	2.8
163.03911	4.8
163.07526	2.5
165.05486	4.1
166.04137	1.8
172.05215	7.2
173.06012	14.2
174.06789	8.2
175.03992	3.3
175.07561	10.3
177.05499	6.8
185.05954	14.2
187.07556	47.7
189.09073	14.3
191.08633	5.0
196.05260	2.9
197.06046	2.3
199.07509	3.7
202.07799	4.4
203.08580	29.1
205.06557	2.4
205.18729	1.9
209.05992	19.9
211.07564	9.5
215.06952	3.1
217.08624	16.0
218.07292	3.9
219.08099	9.7
220.08882	4.2
221.09595	2.5
222.06978	2.3
225.05516	13.6
231.08090	30.0
232.08823	4.1
233.05949	3.1
235.07437	2.5
237.05534	13.6
237.09093	2.3
238.06294	15.6
239.07031	8.9
240.56952	2.1
246.06834	5.4
247.07603	7.5
248.08330	16.3
249.09106	5.9
251.10669	4.6
251.96677	1.9
253.04982	13.0
254.05756	7.9
259.07565	9.6
260.08414	3.6
261.09158	21.5
263.07114	6.0
263.10684	12.0
264.08105	2.9
265.66135	1.9
266.05768	4.7
268.07306	22.5
269.08084	46.3
275.07025	4.2
276.07849	8.2
277.08636	8.4
279.07187	2.6
279.10202	7.9
281.08109	10.9
283.45294	2.0
289.08594	51.9
289.11588	3.9
290.09250	4.6
291.06940	2.9
291.10132	28.0
293.08060	3.0
294.08905	4.6
295.09653	6.9
305.08316	2.9
306.08939	7.1
309.11246	18.2
311.12723	2.3
321.11224	50.8
339.12274	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1231
Annotation	Rubiginone A1
Peak:m/z	Relative Intensity
52.63398	1.3
53.03942	2.3
54.19369	1.2
67.05518	2.6
69.68093	7.7
70.13093	1.3
71.04663	1.6
71.05003	6.4
73.81245	1.5
79.05501	5.2
81.07050	2.8
91.05492	6.0
93.07066	2.3
94.04207	1.8
95.04953	3.1
103.05491	3.0
105.03403	2.4
105.04484	1.7
107.04955	3.2
109.06542	1.7
111.04430	2.4
115.05459	3.9
117.07020	3.0
119.04934	2.5
119.08655	1.5
121.06522	11.7
121.10162	1.2
122.03610	2.5
128.06230	2.5
129.07004	12.5
131.04959	2.8
131.08574	1.9
133.02872	5.6
135.04430	100.0
135.08022	1.7
137.05994	53.3
143.04955	2.4
143.08636	2.4
144.05750	3.8
145.06412	1.8
147.04427	5.2
149.02362	2.6
149.05989	5.7
151.03943	3.4
151.07564	10.7
153.06940	2.2
154.06206	1.4
157.06461	9.7
159.04422	2.9
160.05228	3.2
161.06030	3.1
163.03931	2.5
165.05533	2.8
165.06927	1.5
168.05705	1.6
169.06386	1.5
172.05197	5.1
173.02313	2.2
173.06029	13.1
174.06772	6.4
175.03920	3.8
175.07545	16.3
177.05493	3.9
177.09114	1.6
179.07120	1.8
185.06018	14.0
186.06824	1.6
187.07561	40.2
189.07500	1.6
189.09140	13.2
191.08572	5.0
196.05295	2.3
197.06026	2.0
199.07594	3.4
201.09161	9.1
202.07729	6.8
203.06723	2.0
203.08582	29.6
205.06497	3.3
209.06001	20.4
211.07599	9.1
215.07065	5.3
217.08618	15.0
218.07172	2.2
219.08060	14.0
220.08783	5.8
221.06175	2.0
221.09593	3.5
223.07535	2.8
224.08337	1.9
225.05479	13.8
229.38966	1.3
231.08080	29.7
231.10172	1.9
232.08794	5.2
233.06003	3.0
233.09564	3.1
235.07536	3.4
236.08458	2.7
237.05487	12.3
237.09085	1.6
238.06267	12.3
239.07022	9.3
246.06769	4.9
247.07541	7.1
248.08360	15.5
249.09113	5.9
251.10735	5.9
252.07887	3.2
253.05060	10.8
254.05728	10.2
259.07584	10.9
260.08380	3.1
261.09195	22.0
262.06241	2.0
263.07095	4.6
263.10715	18.2
263.13269	1.6
264.07883	3.2
266.05856	3.8
267.06494	2.1
268.07346	26.7
269.08118	50.2
274.06314	2.2
275.07092	4.6
275.10718	4.3
276.07809	6.7
277.08621	8.8
278.09280	2.0
279.07330	1.4
279.10025	6.7
280.07211	2.1
281.08154	14.4
281.11603	2.5
283.09781	2.1
283.16949	2.5
289.08621	48.2
290.09344	3.7
290.12827	2.4
291.06702	4.1
291.10153	32.6
292.10385	1.8
293.08255	2.0
293.11853	2.2
294.09094	6.7
294.12131	2.0
295.09592	3.8
298.12119	2.0
303.10165	2.6
305.08121	2.2
306.09006	7.3
309.11270	17.5
309.14813	3.3
311.12827	3.8
321.11285	53.5
321.14868	5.4
339.08661	1.5
339.12305	43.7
339.15967	7.0
339.27817	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1229
Annotation	Rubiginone A1
Peak:m/z	Relative Intensity
52.13844	1.4
53.03938	1.8
69.73725	4.4
69.74139	5.1
71.04987	5.2
76.81714	1.7
79.05484	3.4
88.42435	1.5
91.05482	3.5
93.03442	1.9
98.20849	3.0
105.03396	3.8
115.05447	2.3
122.03640	3.1
125.72005	1.5
126.11231	1.5
128.42297	1.5
129.07016	11.7
131.04893	2.1
132.94540	1.5
133.02834	3.6
135.04427	100.0
137.05988	42.5
143.04903	2.5
144.05664	2.7
145.06500	2.2
147.04451	2.9
149.02354	2.8
149.05980	5.9
151.03940	5.2
151.07492	3.7
157.06476	7.1
160.05278	1.7
161.05980	2.6
163.04041	1.8
165.05457	4.5
171.08153	1.7
172.05214	5.4
173.06010	16.0
174.06754	6.2
175.03928	3.9
175.07585	11.7
177.05443	4.9
179.07094	2.0
185.06030	9.9
187.07556	59.9
189.09138	13.6
191.08530	3.5
199.07574	4.4
202.07768	3.9
203.08594	24.0
205.06538	3.4
209.05995	13.5
211.07603	9.1
215.07051	5.0
217.08586	20.7
219.08037	6.4
220.08867	3.6
225.05435	13.2
226.06206	3.1
231.08113	26.4
232.08739	4.8
233.05971	3.3
235.07500	3.5
236.08342	4.0
237.05525	11.5
237.09082	1.8
238.06322	13.8
239.07059	6.3
243.08253	2.3
246.06776	5.2
247.07520	7.0
248.08406	14.6
249.09012	4.4
251.06947	2.0
251.10707	3.2
253.04976	8.5
254.05875	9.1
259.07544	7.5
260.08237	2.6
261.09137	15.8
263.07251	2.4
263.10690	16.9
264.07901	4.1
265.08575	2.3
266.05911	3.0
268.07327	30.7
269.08090	67.6
274.06219	4.9
275.07062	4.6
276.07794	6.3
277.08582	8.4
278.09454	2.3
279.10120	9.5
281.08090	12.3
281.10895	2.0
283.09586	2.4
288.24368	1.8
289.08609	48.8
290.09259	3.0
291.06796	2.7
291.10153	34.5
293.08072	2.2
293.11447	1.8
294.08887	6.1
295.09647	5.0
295.27820	1.6
303.10196	2.4
306.08838	9.6
309.11243	21.6
311.12805	2.8
321.11246	60.9
322.11902	1.8
339.12311	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1227
Annotation	Rubiginone A1
Peak:m/z	Relative Intensity
50.43290	2.2
54.28875	2.0
54.90998	2.0
69.83363	11.4
70.51057	2.4
71.04994	9.7
74.02949	2.6
79.05492	8.3
88.39942	2.0
91.05492	2.8
94.04166	2.6
94.14970	2.8
98.21532	2.5
101.45663	2.2
103.05399	2.3
105.03379	4.3
105.07065	2.5
117.07034	3.7
119.04939	3.1
122.03658	3.0
129.07021	15.3
133.02855	6.6
135.03400	5.5
135.04424	100.0
137.05983	43.9
143.04924	2.9
144.05684	4.4
147.04401	5.1
149.05988	5.2
151.03894	2.8
151.07497	4.6
157.06516	9.4
161.05974	4.8
165.05472	5.1
172.05206	6.5
173.06006	9.2
174.06781	7.7
175.03937	4.0
175.07556	9.2
177.05510	6.3
179.06943	2.5
185.06006	9.9
187.07562	41.1
189.09157	12.4
191.08586	4.6
196.05162	3.2
202.07745	6.2
203.08592	26.3
205.06450	4.7
209.06007	14.7
211.07639	8.6
211.99216	2.7
215.07048	7.7
217.08617	18.2
218.07162	3.3
219.08078	8.4
220.08833	6.3
225.05508	17.8
226.06207	4.1
231.08054	25.0
233.05952	3.0
233.09644	3.1
235.07581	4.2
236.08321	4.0
237.05493	11.3
238.06291	15.5
239.07082	8.0
246.06914	2.8
247.07564	7.9
248.08339	16.9
249.09128	7.2
251.10733	5.2
253.04990	7.4
254.05762	8.0
259.07578	9.1
260.08398	6.4
261.09161	21.0
263.07050	5.3
263.10654	11.7
264.07788	3.8
265.08636	3.1
266.05890	2.6
268.07364	29.1
269.08099	62.1
275.07117	4.3
276.07748	4.9
277.08627	11.0
279.10248	8.7
281.08240	13.8
289.08594	53.2
290.09399	2.9
291.06812	4.3
291.10107	34.9
294.08774	3.7
295.09613	5.3
303.10065	2.6
306.08914	9.3
309.11252	14.9
311.12787	4.0
321.11212	54.8
339.12219	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.123
Annotation	Rubiginone A1
Peak:m/z	Relative Intensity
50.60887	1.4
53.30574	1.3
56.04136	1.5
70.77323	3.9
70.77690	1.7
71.04189	1.3
71.04990	7.8
75.65915	1.3
79.05486	5.8
81.07072	1.5
91.05469	1.8
95.04988	2.1
101.61954	1.5
103.05482	3.0
105.03371	2.4
105.07019	5.7
105.41690	1.3
107.04939	1.8
109.06519	1.3
115.05476	4.5
117.07019	2.1
119.04967	2.0
122.03656	3.7
125.97050	1.7
128.06239	2.8
129.07021	11.9
131.04945	1.8
131.08517	1.5
133.02866	6.9
133.06523	2.9
135.04433	100.0
137.05997	58.6
137.07079	2.1
141.07074	1.4
143.04976	2.9
143.08586	1.7
144.05748	3.3
147.04414	3.9
149.02409	2.7
149.06020	6.7
151.03900	4.8
151.07552	8.2
155.08626	1.5
157.06482	9.7
158.07304	1.7
159.04460	2.4
160.05243	3.8
161.06024	10.8
163.03952	3.1
165.05501	3.0
169.06396	1.7
171.08087	1.7
172.05241	5.4
173.06010	14.0
174.06778	7.5
175.03951	4.0
175.07550	13.4
177.05490	5.5
177.09029	2.5
179.06995	2.8
181.06551	2.7
185.06020	18.2
186.06683	2.4
187.07567	47.6
189.07265	2.4
189.09074	13.4
190.07846	1.9
191.08556	4.6
191.10358	1.4
196.05225	2.5
197.05858	1.6
199.07585	3.4
201.09187	4.5
202.07726	7.2
203.08585	28.6
205.06555	4.1
209.06038	18.1
210.06723	1.7
211.07561	11.0
215.06970	4.4
217.08606	16.1
219.08026	11.6
220.08862	6.0
221.09483	1.9
225.05505	19.7
226.06229	2.8
231.08099	28.9
232.08818	4.3
233.09624	3.0
235.07538	3.7
237.05496	14.0
237.09154	3.0
238.06224	18.7
239.07069	8.0
246.06805	4.5
247.07570	9.9
248.08380	16.9
249.09023	6.5
251.10741	8.1
252.07861	2.4
253.05026	15.7
254.05829	11.0
259.07578	10.2
260.08289	4.7
261.09183	22.1
263.07111	5.9
263.10709	13.9
264.07806	3.2
265.08673	1.5
265.12350	1.8
266.05817	4.4
267.06424	2.8
268.07343	47.6
269.08127	61.6
274.06384	3.7
275.06924	3.7
276.07831	10.8
277.08759	9.2
278.09241	4.3
279.07047	1.3
279.10172	9.3
281.08142	17.5
281.11337	2.5
289.08633	46.8
290.09241	4.8
291.06610	5.1
291.10147	34.0
292.07404	2.2
293.08105	3.4
294.08826	5.8
295.09692	5.3
297.11478	1.5
303.10129	3.0
306.08954	11.0
307.09769	2.0
309.11209	19.9
311.12790	2.9
321.11221	65.3
339.12277	39.4
339.15817	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	339.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43670	1.1
53.03944	1.8
55.01873	1.9
56.96299	2.1
56.96566	33.1
57.03430	5.2
57.07073	1.5
60.04535	1.7
61.02927	5.3
67.05504	1.3
69.03436	18.6
69.93669	5.8
70.06595	9.1
71.04986	1.8
71.95253	1.4
72.08133	1.3
73.02924	8.0
81.03434	5.6
81.07059	2.4
84.04490	1.2
84.08150	7.4
84.96025	4.2
85.02908	33.7
86.09743	1.8
87.04454	3.6
91.03941	1.9
91.05492	1.7
97.02905	15.8
98.01322	1.3
98.97591	100.0
99.04440	3.0
100.99152	3.6
102.01604	1.1
109.02895	2.7
110.01261	1.8
110.97578	19.7
112.99136	5.3
115.00667	1.9
115.03960	2.4
116.07117	6.5
116.98633	27.8
118.15121	1.2
119.01814	2.9
119.04955	3.2
123.03848	2.6
124.99113	4.0
127.00720	2.1
127.03943	10.1
128.02339	1.2
128.98616	13.2
129.10248	1.7
130.04639	2.3
130.08627	2.6
131.00168	3.1
131.01848	2.4
132.04402	1.6
132.98070	1.2
133.01692	2.2
134.99643	6.0
135.04420	4.7
137.06032	2.3
140.02290	1.8
140.98598	2.1
143.00191	9.5
143.03836	5.6
144.98077	1.7
145.01744	2.9
145.02763	1.4
145.04953	5.1
146.99646	5.9
147.03107	6.3
147.04411	9.8
156.03450	1.8
158.99669	39.2
159.03313	1.8
159.04877	2.8
159.09126	1.4
160.07573	5.1
161.01228	4.9
161.04799	6.8
162.99103	1.3
163.02721	1.9
163.03926	6.6
165.00710	4.2
167.04686	1.6
167.54478	2.8
168.05458	64.8
168.55647	5.1
169.01796	1.3
170.99669	13.6
173.01222	1.9
173.04883	5.5
176.55133	1.7
177.00731	29.0
177.04228	3.9
177.05957	49.7
177.56140	5.2
178.04822	1.5
182.03355	1.9
185.01205	1.5
187.02745	2.1
187.07645	2.3
188.56763	2.1
189.00710	16.3
189.04378	2.8
191.02292	4.9
191.03941	3.1
191.05838	9.0
191.07417	1.5
193.00278	1.5
194.99727	1.5
195.01694	1.7
200.04333	2.6
201.00726	6.3
205.04047	1.6
207.01761	10.8
209.07089	1.3
213.00690	3.1
215.05838	1.9
219.01779	31.6
225.02870	1.3
231.01782	3.2
233.03325	1.6
233.06998	2.5
235.09888	1.3
237.00471	1.8
237.02812	30.3
240.05742	3.0
243.01648	1.7
248.57260	5.8
249.02777	4.5
249.08173	29.4
249.58324	3.4
253.11072	8.2
255.04004	7.5
255.06210	1.3
258.08740	40.3
258.58899	5.6
261.02844	4.2
267.03732	1.7
268.07410	1.8
269.08173	1.7
271.12253	5.7
274.97562	4.4
279.03903	36.3
279.08707	1.9
292.98590	1.5
297.04895	9.3
297.10223	4.8
303.07449	2.8
315.11203	3.7
321.11185	1.9
335.10138	18.3
336.10727	2.0
339.04391	4.1
339.11221	3.8
353.11160	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	339.1081
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.20507	0.5
53.03950	1.0
53.23322	0.4
55.01865	0.6
55.05516	0.8
56.05044	4.7
57.03428	0.7
58.06591	1.0
61.01155	4.1
67.05495	0.7
69.03436	5.2
69.07049	0.6
71.04995	1.0
71.52300	0.6
71.52662	0.5
79.05493	1.4
81.03426	10.1
81.07068	1.4
85.02911	3.9
86.09692	0.5
89.03925	6.8
91.05470	1.8
93.07060	1.2
95.04970	0.5
95.08638	0.5
97.02885	2.0
98.06055	1.7
99.04450	1.1
103.05472	1.3
104.04715	0.7
104.05346	7.6
105.03384	0.5
105.07027	1.3
107.08603	0.8
109.02868	3.6
117.03391	20.4
119.04945	1.2
119.08599	1.0
120.08121	17.1
121.06503	0.5
122.03644	0.5
127.03923	2.2
129.07068	0.6
131.04976	1.0
131.08575	0.4
131.58325	0.5
133.10164	0.7
134.03638	1.3
134.05978	0.5
135.04436	5.1
137.06009	4.5
141.46848	0.5
145.02861	51.9
146.06374	4.4
147.04393	2.7
149.06018	7.7
149.09656	0.5
151.03914	1.0
157.06491	0.5
159.08157	0.5
161.05943	0.9
162.03094	0.6
163.03926	0.8
163.07512	0.7
166.08665	9.5
174.05824	1.8
177.05487	100.0
178.05896	0.8
181.04877	0.7
185.06046	1.1
186.05502	1.1
187.07582	2.1
189.05443	0.5
191.08575	1.0
195.06502	1.8
203.08595	1.4
205.06445	0.5
207.06461	1.1
215.07062	0.6
217.08656	0.5
218.07219	1.2
219.08096	1.3
220.08864	0.8
231.08180	0.9
235.07640	0.9
236.08342	0.7
237.05583	0.5
239.06953	0.6
246.06853	1.0
247.07610	0.9
248.08292	0.6
249.05492	0.6
249.08990	0.5
251.10719	0.8
253.23492	0.5
261.09149	1.1
263.07059	0.8
264.07788	1.2
265.08478	0.6
268.07355	1.4
269.08102	1.9
276.07281	0.6
277.08508	0.7
281.08078	1.3
289.08844	1.2
291.10184	0.7
294.07788	1.3
302.81885	0.5
307.09641	1.9
311.12741	3.4
321.09579	11.6
339.12115	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	339.1078
Annotation	p-Coumaroyl quinic acid
Peak:m/z	Relative Intensity
56.85448	0.3
65.03935	1.5
69.44114	0.5
69.44527	2.0
83.04998	0.6
83.62465	0.3
86.14527	0.3
91.05488	8.1
108.52400	0.3
111.04474	0.3
119.04952	22.4
125.09697	0.3
147.04425	100.0
149.64929	0.3
165.05466	0.5
219.02937	0.5
326.58408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25597	0.2
53.03944	1.7
55.01873	0.6
57.03434	0.8
58.06594	0.2
61.02925	0.4
63.79668	0.2
65.03949	2.5
68.99804	0.6
69.03438	5.6
70.06609	0.4
70.76611	0.2
71.05005	1.3
71.51793	0.3
71.52148	0.3
75.31958	0.3
79.05508	0.4
81.03424	10.0
83.01367	0.3
83.04986	0.4
84.08140	0.4
85.02908	4.5
87.00853	1.4
91.05489	100.0
92.05803	0.5
95.04940	0.3
97.02908	1.7
99.04456	2.1
105.01840	0.4
105.03420	0.5
105.07040	0.6
109.02892	7.4
111.04501	0.7
117.03426	1.2
117.07047	0.7
119.04971	0.6
127.03934	12.6
128.06264	0.4
129.01939	0.4
129.07025	0.4
133.06447	0.2
134.24860	0.3
135.04442	0.4
137.06004	0.7
141.09241	0.3
143.08444	0.2
145.02861	3.0
147.04395	1.5
149.06018	0.8
151.03951	0.3
155.04964	0.3
162.39551	0.2
171.08072	0.4
173.06151	0.3
173.86879	0.2
177.05486	5.9
191.03424	0.5
199.07562	0.3
207.06538	0.5
213.03972	0.2
217.08669	0.6
219.02887	1.0
231.05035	0.8
234.99069	0.3
280.07962	0.3
280.11783	0.6
321.10068	0.8
339.05179	0.5
339.08994	1.1
339.14844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1078
Annotation	p-Coumaroyl quinic acid
Peak:m/z	Relative Intensity
52.89943	0.3
56.09725	0.3
56.89052	0.3
58.06610	0.3
60.70668	0.3
65.03944	1.2
69.03426	0.5
70.06593	1.1
71.05001	0.4
71.52284	0.5
72.08157	0.6
72.79301	0.3
79.15203	0.3
81.07058	0.4
84.04498	0.3
84.08153	0.8
85.02909	0.5
85.06549	0.6
86.09720	0.6
91.05489	10.5
97.02876	0.4
117.03371	0.4
119.04959	25.5
120.05219	0.4
135.04446	0.3
136.07582	0.9
137.07906	0.3
141.12747	0.8
145.02861	1.0
147.04427	100.0
148.04750	0.8
163.03926	1.3
164.04416	0.3
165.05519	0.4
166.12183	0.3
172.51135	0.3
175.04019	0.3
177.05424	2.0
189.05481	0.5
201.05592	0.3
202.75616	0.3
207.06583	0.4
235.06027	0.6
280.59796	0.3
322.13211	0.3
339.07336	0.4
339.15948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1078
Annotation	p-Coumaroyl quinic acid
Peak:m/z	Relative Intensity
50.06165	0.4
65.03934	0.8
70.62486	0.8
72.08125	0.5
83.04999	0.7
85.02939	0.4
85.08507	0.4
91.05491	8.0
103.65163	0.4
110.71593	0.3
119.04958	21.3
130.16661	0.4
131.91035	0.4
147.04427	100.0
148.04730	0.9
165.05412	0.4
168.44716	0.4
177.05550	0.8
186.49910	0.4
275.00339	0.4
321.09695	0.4
342.80185	0.4
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
55.01890	0.4
57.74596	0.4
63.29861	0.3
65.03945	1.0
69.03430	0.5
69.73428	1.4
69.73842	0.8
83.04967	0.4
91.05492	13.0
98.21603	0.5
105.03363	0.4
109.06525	0.7
111.04550	0.4
119.04955	27.1
121.02929	0.5
131.04941	0.8
135.04515	0.7
137.02351	1.6
139.71410	0.4
145.02908	0.7
147.04424	100.0
148.04779	0.8
149.02353	1.1
149.06007	0.6
158.08183	0.4
159.04434	1.0
161.02399	1.2
165.01868	1.1
166.82863	0.4
167.03331	0.5
177.05544	1.7
187.03922	0.7
190.02623	0.9
203.22298	0.4
205.05058	2.6
231.59264	0.4
268.07373	0.4
271.06100	0.5
283.06134	2.7
295.06042	1.7
297.07568	0.8
299.05499	1.6
303.55536	0.4
311.05637	0.9
311.09082	5.1
321.07468	1.9
323.05630	0.6
324.06357	2.8
339.05130	3.1
339.08655	49.2
340.09116	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	69.5
57.03421	4.3
61.02915	14.1
69.03439	21.3
69.59727	26.9
70.06588	9.6
71.04981	3.5
73.02910	11.0
74.47578	4.1
75.43340	3.9
76.61768	4.2
81.03426	5.0
84.08131	8.5
84.96041	6.6
85.02914	31.4
86.66318	4.9
97.02886	16.4
98.21502	5.7
98.97595	100.0
100.99162	33.8
101.00918	6.5
109.02888	6.4
110.97572	16.9
112.99136	15.9
115.00681	4.4
116.07109	24.2
116.98646	24.8
119.00171	4.9
119.01836	7.0
121.01699	5.4
124.99129	9.4
127.03880	12.6
128.98616	20.9
129.02151	4.8
130.08635	5.6
131.00211	6.9
131.53369	4.2
140.02303	9.9
140.98607	4.5
141.99892	4.3
143.00189	19.2
145.01552	4.1
146.99652	21.5
147.03169	10.4
147.04308	8.8
157.01634	5.2
158.99718	24.9
159.03227	10.0
160.07530	4.6
161.01248	14.5
163.03867	11.2
165.00758	23.0
167.54460	4.6
168.03609	11.8
170.99684	13.5
171.03343	6.2
173.01213	12.0
174.99136	4.5
175.02718	8.0
177.00694	13.4
177.04153	16.8
183.01758	9.8
189.00787	21.3
189.04320	13.5
191.02335	25.2
197.03014	7.5
197.04784	6.4
201.00789	9.2
203.02272	5.1
203.05904	6.2
207.01747	25.0
209.03302	6.0
214.03790	5.0
219.01740	46.0
223.04924	5.2
225.02852	10.1
231.01753	11.6
237.02814	63.7
248.57121	13.2
249.02736	11.0
249.06256	13.2
253.11162	42.6
255.03835	12.2
258.06839	19.4
261.02768	11.7
271.12189	42.9
279.03879	52.5
297.04974	22.1
297.10089	31.9
315.11188	22.5
321.04971	9.1
339.05292	10.1
339.08939	25.5
339.15405	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	339.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
56.05053	0.4
56.96572	0.6
57.03458	0.5
57.11987	0.3
65.03967	0.8
67.05487	0.4
69.03438	0.7
69.56731	2.2
70.06598	1.1
72.08151	0.8
79.05508	0.6
83.04980	0.6
84.04525	0.6
84.08154	1.4
85.02914	1.6
86.09736	0.6
89.03941	2.0
91.05493	9.7
93.07040	0.5
95.01346	1.0
95.04968	0.4
95.08603	0.4
97.02895	0.7
98.97555	0.5
103.05476	1.0
105.03390	0.4
107.04974	0.8
108.08103	0.5
110.07124	0.4
111.04485	0.5
115.05441	0.5
117.03397	2.5
119.04959	20.4
120.08142	0.5
121.02874	1.2
121.08435	0.4
123.04459	2.1
129.10233	0.4
130.05005	2.2
131.04930	1.5
133.06415	0.4
135.04442	8.4
136.07635	0.6
137.02328	0.4
137.05963	0.7
139.03926	0.4
141.01860	0.4
142.81242	0.3
145.02879	2.9
145.06512	0.3
147.04425	100.0
148.04785	0.3
149.02365	3.9
149.06004	1.0
151.03915	0.7
152.07088	0.3
159.04448	1.4
161.05981	0.7
163.03928	33.8
164.04239	0.3
165.05460	0.4
166.12279	1.6
173.06076	0.8
175.03926	2.2
177.01868	3.2
177.04068	0.7
177.05449	3.0
183.04514	0.4
187.03876	2.3
187.07558	0.5
189.05473	1.1
191.03337	0.5
191.06911	0.4
201.05563	0.6
203.03419	61.6
205.04956	2.9
210.14888	1.3
213.05515	0.3
215.03409	3.6
219.02887	1.2
223.63969	0.3
229.05026	1.5
231.02919	7.9
233.04483	3.1
259.06052	0.3
261.04007	4.4
278.13940	0.4
279.05026	7.2
289.08810	0.3
291.05054	4.6
303.04959	0.4
339.07291	2.3
339.12103	0.8
339.15665	0.5
339.19177	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	339.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96581	7.9
56.96811	1.2
69.03445	2.0
69.76396	5.1
70.06596	3.2
71.04987	1.4
72.08170	1.9
76.38682	1.4
77.14175	1.2
79.05476	1.8
84.04543	2.0
84.08160	2.8
85.02916	5.5
89.03911	1.6
91.05476	8.1
97.02930	3.7
98.97593	15.3
102.05550	1.3
107.05016	1.4
110.06052	1.2
110.97579	8.8
116.07126	2.0
116.98642	6.4
119.04954	22.7
120.08099	1.6
121.06549	1.2
128.98618	7.1
130.05037	3.5
135.03497	1.2
135.04395	7.6
137.05997	2.3
143.00220	2.9
145.02812	2.5
146.99677	3.6
147.04422	100.0
158.99774	1.5
161.01231	1.9
163.03894	12.0
165.05537	1.4
166.12277	4.5
170.99600	2.6
177.00703	2.6
193.01772	1.9
195.03369	1.9
201.00706	1.6
203.03397	7.4
203.08669	1.7
207.11346	2.0
209.05954	1.9
210.14964	2.5
211.02956	2.0
213.04388	2.3
217.08621	1.4
219.01787	14.1
231.08107	2.3
237.02786	23.3
237.04802	1.6
269.08139	2.5
279.05060	1.7
289.08630	3.0
291.09995	1.8
321.11285	3.0
321.14581	2.1
339.07452	22.1
339.11591	2.4
339.15741	4.0
339.19299	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	338.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16933	1.8
53.03940	2.4
55.05502	4.8
56.96564	1.8
64.00858	2.1
67.05496	7.8
69.07044	1.6
71.07056	3.0
71.07386	2.2
72.08161	22.2
79.05493	56.5
80.22514	1.4
81.03381	1.8
81.07059	11.3
84.81576	1.6
91.05486	21.4
93.07057	10.7
95.04951	5.2
98.06044	3.8
102.59102	1.7
105.07027	21.7
107.04973	3.0
107.08599	46.2
108.99429	1.9
113.03285	1.6
119.08580	7.9
129.06969	2.6
131.08588	4.0
133.10118	8.7
139.09891	11.0
147.11696	29.9
149.13245	5.4
151.03902	2.0
153.03706	3.7
157.10149	2.1
163.12680	2.4
175.11188	5.6
193.45183	1.9
243.03339	1.8
246.18552	100.0
264.19614	70.2
275.10257	1.7
292.10373	3.5
306.11984	7.4
307.12820	3.1
310.28485	1.7
320.16702	4.1
338.11325	2.5
338.14792	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	338.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05510	0.5
56.83426	0.2
56.96584	0.3
58.06597	0.2
60.08181	0.2
62.17686	0.2
63.36876	0.2
65.03931	0.3
67.05503	0.8
71.52637	0.3
72.08155	0.9
74.09717	1.0
77.03918	0.4
79.05499	3.5
81.03419	0.5
81.07058	0.4
83.05031	0.2
91.05490	5.8
91.31068	0.2
93.07050	1.0
95.04974	0.5
95.08614	0.4
105.03410	0.3
105.04510	0.3
105.07049	0.7
106.04172	0.4
106.06561	8.3
107.04969	0.6
107.08624	0.3
109.06529	0.6
116.04989	6.4
119.06069	0.5
119.08592	0.7
121.10166	0.2
132.04465	0.3
133.10124	0.5
134.06026	100.0
135.04445	0.3
135.06343	1.0
135.11638	0.3
143.07324	0.4
147.07991	0.2
157.07584	0.2
158.05759	0.3
159.06743	1.4
161.48065	0.2
162.09158	1.2
165.10251	1.1
174.09161	20.3
175.14772	0.2
205.13391	2.7
214.26228	0.2
231.11246	1.6
274.21594	0.8
290.13211	0.2
320.17633	3.5
320.22147	1.2
338.18643	7.6
338.22943	0.4
339.18750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1235
Annotation	1-DL-(Indole-3-acetyl)-myo-inositol
Peak:m/z	Relative Intensity
55.01875	1.0
56.05025	0.5
56.55524	0.5
58.06609	2.3
61.02927	0.4
65.03931	0.4
68.05018	0.8
69.03432	0.7
69.69378	2.0
70.06590	2.5
71.04959	0.7
72.08142	1.0
79.97687	0.5
81.07037	0.6
82.06562	1.6
83.07357	0.7
84.08140	1.7
85.02908	0.9
85.06571	0.4
86.09691	1.0
88.03993	9.6
88.89148	0.5
91.05488	2.0
93.03398	1.3
93.07048	0.5
95.08608	1.7
98.08162	0.4
100.07558	0.6
105.07038	0.6
109.02918	0.6
115.05476	0.4
117.07014	1.0
119.04944	2.6
121.02868	6.7
123.08067	1.0
124.07590	1.7
127.03942	1.0
128.07068	2.5
131.04883	0.5
131.08586	0.6
133.06487	0.6
135.04474	0.5
135.08081	0.6
141.09105	1.6
142.59247	0.4
144.10120	0.4
145.02893	0.4
145.06490	1.6
147.04425	7.0
149.05998	1.0
157.06512	0.9
159.08073	0.5
159.10164	0.7
161.05951	1.4
163.03955	1.0
163.07547	3.1
165.05527	0.6
171.08127	0.5
173.05966	4.0
175.03920	2.2
175.07483	2.8
177.05473	2.2
181.04955	1.8
187.07549	7.2
189.05478	16.0
189.09093	2.4
190.05936	0.5
191.07074	1.7
193.04976	0.8
197.04388	0.7
199.07564	4.1
201.05443	2.3
203.07077	1.0
204.10205	0.6
205.04974	2.1
205.08649	1.2
207.06546	5.7
215.07030	7.9
217.05016	5.3
217.08553	3.3
219.06557	5.6
221.08093	2.1
228.10251	0.8
229.05090	0.7
230.11737	1.8
233.08066	1.2
243.06531	8.5
245.08044	0.7
246.11281	5.2
247.06129	2.2
250.10776	14.3
258.11331	0.6
261.07587	4.9
271.05862	1.0
274.10776	8.4
279.08685	0.6
289.07077	1.7
292.11823	9.4
293.05951	0.5
296.11304	28.2
320.11310	9.7
320.14874	0.8
338.12347	100.0
339.12656	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
56.96559	0.3
57.03438	0.7
57.84799	0.2
61.02920	0.9
69.03431	2.7
69.36249	0.2
69.98209	0.7
70.06599	0.3
71.04977	0.3
73.02910	0.4
73.62621	0.2
81.03411	0.9
81.07046	0.2
85.02914	8.5
87.04425	0.4
91.05495	0.5
93.07037	0.3
97.02900	2.0
99.04436	0.3
103.03949	0.6
105.07038	0.3
109.02878	1.0
115.05440	0.4
117.03375	0.3
117.05803	0.5
117.06274	0.2
117.07022	2.2
127.03962	1.5
129.07028	0.7
130.06540	0.9
143.07344	3.0
144.08098	100.0
145.02855	0.7
145.04910	0.7
145.08415	0.5
151.03960	0.2
155.06024	0.3
156.08107	3.1
157.08888	1.9
158.09673	6.8
167.07281	0.5
168.08121	1.7
170.09621	0.5
176.10733	6.4
177.05504	1.4
180.08076	0.3
182.09669	0.5
184.07573	1.5
186.09158	21.2
187.09486	0.3
188.10789	0.7
198.09175	0.5
210.09175	0.8
216.10248	0.9
218.11795	5.7
223.08766	0.3
240.10239	0.8
252.10179	0.6
270.11288	1.3
288.12326	7.2
302.13858	1.3
306.13385	7.7
320.15024	2.1
323.11542	0.3
338.07025	0.3
338.10782	0.7
338.14725	0.3
347.07541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2738
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03946	1.4
55.05518	25.1
57.03204	1.1
57.03449	15.8
57.07066	2.5
57.28599	0.7
65.03911	1.1
67.05511	52.1
69.07077	30.1
69.74130	3.6
71.04984	1.3
71.08640	1.5
79.05070	1.1
79.05498	14.2
81.07065	50.5
82.07406	1.1
83.04985	1.8
83.08630	13.6
83.48806	0.8
85.06525	1.4
86.99606	0.7
91.05493	6.4
93.07053	13.5
95.08617	36.2
97.06549	2.1
97.10184	8.0
98.20815	1.1
99.08092	1.0
100.97008	0.7
101.00043	0.8
105.07042	5.8
107.08620	6.4
109.10166	13.0
111.08096	1.9
111.11725	1.7
119.08577	5.1
121.10152	4.3
123.08037	1.1
123.11707	5.4
125.09654	0.8
133.10141	4.6
135.11703	3.3
137.13266	1.8
147.11702	4.1
149.13303	1.5
151.14809	1.0
161.13324	1.5
163.14809	2.2
175.14955	1.5
180.10580	0.7
189.16429	0.8
245.22659	1.3
263.23755	3.3
337.27390	100.0
338.27792	1.5
356.50681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2739
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03938	1.5
55.01872	0.9
55.05517	26.0
57.03444	16.7
57.07082	4.3
65.03947	2.3
67.05511	54.4
69.03423	0.5
69.07073	31.7
69.16418	0.4
70.91875	1.0
71.04977	1.1
71.08620	1.8
79.05500	15.2
81.07063	54.2
83.04981	1.7
83.08155	0.7
83.08625	14.3
85.06537	1.5
85.10181	0.8
91.05491	8.9
93.07052	11.9
95.04971	1.2
95.08615	44.3
97.06524	3.4
97.10181	8.7
99.08096	1.4
105.04541	0.5
105.07048	5.7
107.08607	7.3
109.06510	1.3
109.10167	18.5
111.08074	2.1
111.11725	1.6
112.49520	0.5
113.09647	0.5
119.08589	5.0
121.10157	7.6
123.08069	1.0
123.11720	8.2
125.09629	1.3
133.10153	5.9
135.11716	3.6
137.09641	0.6
137.13254	2.3
139.11148	0.7
147.11705	4.3
149.13243	2.3
151.11163	1.1
151.14874	1.3
161.13243	2.7
163.14859	2.2
165.12805	0.6
175.14828	1.7
179.14310	0.5
181.15930	0.5
183.13835	1.6
189.16393	1.7
193.15851	0.5
245.22574	2.6
263.23724	4.2
336.21729	0.5
337.27393	100.0
338.27917	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2738
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03936	1.3
55.01867	0.8
55.05516	22.2
57.03442	14.4
57.07082	3.7
59.49232	0.5
65.03934	1.1
66.46411	0.4
67.05511	48.2
69.07074	25.8
69.07462	0.8
69.76483	0.4
69.92207	2.0
71.04977	1.3
71.08642	2.5
73.43969	0.4
79.05074	0.7
79.05499	11.3
81.07063	53.4
83.04980	1.9
83.08624	14.7
85.06531	1.4
85.10184	0.6
91.05483	7.1
93.07051	12.4
94.76826	0.4
95.04966	1.1
95.08615	43.8
97.06528	2.8
97.10184	8.7
99.08098	1.1
105.07048	5.9
105.39438	0.4
107.08607	7.9
109.06499	0.8
109.10168	18.7
111.08104	1.7
111.11723	2.0
119.08593	6.2
121.10165	7.0
123.08087	0.6
123.11711	7.3
125.09629	1.2
133.10136	5.2
134.51294	0.4
135.11731	3.1
137.09619	0.9
137.13258	3.6
139.11252	0.6
147.11726	3.4
149.13286	2.5
151.11250	0.7
151.14848	1.1
161.13301	2.5
163.14839	2.9
165.16371	0.4
167.14316	0.6
175.14827	1.9
177.16365	0.9
179.14407	0.6
189.16383	1.2
222.99074	0.5
238.88861	0.6
245.22658	4.0
263.23730	6.2
319.26483	0.5
337.27390	100.0
338.27795	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2737
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03945	0.9
55.01876	0.9
55.05513	24.8
56.06444	0.1
57.03440	16.0
57.07077	3.5
59.04978	0.2
61.28951	0.2
65.03940	2.0
67.05506	56.2
68.05848	0.2
69.03426	0.4
69.07069	33.3
69.80798	0.8
70.07397	0.2
71.04994	1.3
71.08628	1.6
72.00253	0.1
73.06556	0.3
77.03956	0.2
79.05494	14.2
81.07058	54.9
82.07391	0.3
83.04984	2.3
83.08621	15.9
85.06549	1.7
85.10182	0.6
91.04898	0.3
91.05484	9.9
93.07048	14.7
95.04985	0.6
95.08608	40.5
97.06538	3.6
97.10170	8.2
99.04431	0.2
99.08086	1.2
101.06039	0.2
105.04510	0.4
105.07033	6.9
107.07865	0.3
107.08597	7.6
109.06519	0.6
109.10157	15.5
111.08078	1.8
111.11740	1.9
113.09632	0.7
115.07558	0.2
117.06988	0.3
119.08578	5.1
121.10144	6.4
123.08120	0.8
123.10818	0.3
123.11720	6.8
125.09643	1.1
125.13284	0.3
127.07585	0.3
127.11189	0.5
131.08589	0.4
133.10144	5.7
135.11694	4.0
137.09648	0.9
137.13255	2.6
139.11189	0.6
142.70827	0.2
145.10170	0.2
147.11688	3.5
147.99707	0.1
149.13272	1.7
151.11162	0.8
151.14828	1.1
153.12750	1.1
154.13046	0.2
161.13263	3.1
163.14845	2.0
165.12766	0.5
165.16377	0.6
166.25031	0.2
167.14342	0.3
173.13223	0.2
175.14801	1.9
177.16397	0.5
179.14297	0.4
181.15790	0.2
188.95750	0.1
189.16409	0.7
193.15871	0.2
203.17896	0.3
207.17564	0.2
207.20325	0.2
219.40636	0.1
234.10414	0.2
245.22649	1.3
263.23715	2.9
313.84171	0.2
337.27362	100.0
338.27676	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74696	2.5
63.88185	2.4
65.79191	2.9
67.05499	13.8
70.68134	8.2
70.73640	2.7
72.08160	17.5
79.05065	5.2
79.05502	71.0
81.07065	16.2
81.37903	2.9
88.22334	2.9
91.05486	32.4
93.07052	9.5
95.04964	8.8
105.07037	29.0
105.40559	2.7
107.04933	5.1
107.08602	53.4
109.06528	3.4
112.94473	3.2
118.08661	7.1
118.45936	2.4
119.08569	10.7
129.07028	3.3
131.08609	8.2
133.06519	4.5
133.10107	14.6
139.09933	8.2
145.94078	2.9
147.11702	54.8
149.13278	4.3
175.11195	10.2
187.07597	3.2
246.18555	100.0
260.16406	20.5
267.65799	3.3
292.18991	23.0
306.07135	3.8
321.09680	6.7
322.10385	4.6
337.12903	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	337.1074
Annotation	(+)-Hatomarubigin A
Peak:m/z	Relative Intensity
53.03955	1.0
65.53979	0.8
67.05502	1.1
70.56812	1.8
70.57157	1.6
71.05002	5.3
72.08138	0.9
77.03932	1.4
79.05508	8.3
91.05484	3.5
93.07044	1.5
93.57757	0.8
95.04987	1.3
95.08624	1.3
98.20784	1.3
98.29018	0.8
103.05437	1.7
105.03383	2.9
105.07014	1.1
107.04958	1.6
107.08596	1.9
111.04414	1.3
115.05483	2.3
117.07007	1.3
119.04948	1.6
119.08596	2.3
121.10139	1.5
123.04449	0.9
128.06264	2.2
129.07034	14.2
131.04866	1.1
132.69861	0.9
133.02870	1.9
135.04434	100.0
139.05466	1.3
143.04945	1.6
145.06450	1.5
147.04414	2.9
149.02339	2.3
149.06012	5.9
151.03929	1.6
153.07004	3.2
157.06499	7.3
159.04323	1.1
161.05937	1.6
163.03914	3.3
165.05521	1.7
165.06917	1.1
167.04936	1.2
173.06020	9.9
174.06763	1.4
175.03885	3.5
175.07596	2.5
177.05505	3.1
181.06526	2.2
185.06007	40.2
187.07564	9.5
189.05476	1.3
190.07794	2.0
191.08606	5.4
197.05984	5.1
202.07796	6.3
203.08591	28.3
205.06409	1.9
209.06012	18.9
211.07639	1.3
212.04659	1.3
215.07033	17.8
215.08856	1.8
218.07245	2.6
219.08099	9.5
219.11418	1.1
221.09709	1.5
231.08086	24.8
233.09636	2.1
235.07556	4.0
237.05522	11.5
238.06221	1.3
246.06792	10.6
247.07512	3.6
248.08186	1.1
249.09163	12.6
259.07559	4.8
260.08359	1.4
261.06326	1.3
261.09158	26.9
262.06329	3.2
263.07077	2.7
266.05780	28.7
267.06567	36.8
274.03799	1.0
274.06192	5.7
276.07867	1.0
277.08676	13.6
279.06613	12.9
279.09769	1.4
281.08047	1.5
289.08630	47.4
290.05676	1.1
290.09009	1.3
291.06671	1.1
291.10187	1.1
292.07468	1.2
293.08090	2.5
303.06503	2.6
304.07394	5.4
306.08609	1.5
307.09625	10.3
309.11243	2.3
319.09695	37.3
319.21002	2.0
337.10693	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	337.1436
Annotation	Eryvarin D
Peak:m/z	Relative Intensity
54.43727	0.2
59.85637	0.2
67.05489	0.6
69.03417	0.3
69.07034	0.7
71.04978	0.3
75.04466	1.1
76.54710	0.2
79.05476	1.2
81.07001	0.2
85.02888	0.5
89.83916	0.2
91.05467	0.9
93.07071	0.3
95.04953	0.3
95.08592	0.3
97.02885	0.3
97.06522	1.6
105.07030	0.6
107.04967	0.4
113.40617	0.3
117.07076	0.4
118.48479	0.2
119.08528	0.3
127.68880	0.2
129.06976	0.6
130.06558	0.3
134.58549	0.3
135.04424	0.5
137.05946	0.4
143.08496	0.4
147.04434	0.3
149.06006	0.7
151.07573	0.4
151.92726	0.2
161.02336	0.3
161.05997	0.5
163.04004	0.5
169.06540	0.4
173.02278	0.3
175.11232	0.3
176.11951	0.9
181.06544	0.5
185.05995	0.3
189.07005	0.4
189.09059	0.3
191.08614	0.6
195.08006	0.6
197.06056	0.5
199.03995	0.4
199.07613	0.4
201.09135	1.8
202.07823	1.4
203.08606	2.6
204.09338	0.4
205.06529	0.3
205.10030	0.3
207.08051	0.3
209.05992	0.4
211.07579	1.4
212.08336	0.4
213.09093	0.8
215.08597	1.5
215.10361	0.3
216.09387	0.3
217.10141	0.8
218.07321	0.6
219.08101	3.7
220.08829	0.6
221.09569	0.3
221.96190	0.3
222.06734	0.3
223.07396	0.3
224.08319	1.1
225.05472	1.1
225.09035	0.5
226.06319	0.3
230.07198	0.6
231.08055	5.7
232.08827	2.1
233.05974	0.4
233.09644	2.7
234.06850	0.4
234.10344	1.0
235.07542	0.7
235.11212	0.9
236.08334	0.4
237.09149	0.7
238.09947	0.4
239.06956	0.8
239.10779	0.3
240.07864	0.9
241.08629	2.8
243.08052	1.3
244.08882	0.6
245.09630	4.4
246.06789	0.9
246.10388	4.8
247.07559	7.2
247.11340	0.6
248.08327	4.2
249.05486	0.3
249.09081	0.9
250.06393	0.6
251.06958	0.5
251.10738	1.5
254.09494	0.5
255.10211	3.5
257.09543	0.3
258.06839	0.9
259.07571	2.7
260.08319	1.9
261.09125	8.2
262.09897	9.2
263.07092	1.1
263.10684	8.5
264.07803	2.1
265.08585	2.3
267.06503	0.3
268.11115	0.4
269.08060	0.9
272.08185	0.3
273.09116	3.8
274.06888	0.4
274.09918	7.7
275.07053	4.1
275.10654	7.9
276.07828	5.0
276.11060	0.5
277.05392	0.4
277.08597	1.0
277.12213	6.7
278.06714	0.4
278.09390	1.8
278.12402	0.5
279.06927	0.3
279.10193	5.6
281.08130	1.0
283.09601	3.0
284.10315	0.6
287.10464	0.3
289.08582	2.8
289.12195	1.6
290.06134	0.6
290.09381	11.2
291.10165	26.3
292.07285	2.1
292.10504	0.5
293.08102	1.6
293.11737	0.9
294.08878	0.9
294.12534	0.9
296.10229	0.3
304.10950	1.0
305.11734	36.2
306.12512	33.8
307.09683	12.7
307.12994	0.8
308.10416	3.1
309.07562	2.3
309.11194	2.3
309.14865	0.9
319.13333	2.9
321.11224	4.1
322.12018	13.0
337.07281	3.4
337.14355	100.0
338.14606	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06925	2.0
56.96568	32.1
60.05633	2.0
60.65150	2.0
69.03431	3.4
70.06595	16.0
70.81700	4.4
70.82067	3.3
70.98112	5.3
72.08152	3.8
84.08119	2.9
84.95588	1.7
84.96024	10.2
85.02905	5.0
97.02930	2.2
98.03191	1.7
98.97594	95.5
110.09692	4.9
110.97578	28.5
111.09995	3.6
112.08756	3.2
112.99152	19.4
114.10268	3.7
115.00700	4.0
116.98614	17.7
124.95492	3.6
124.99129	3.9
127.00677	2.3
127.03953	4.7
128.10710	4.1
128.98637	19.9
129.11079	3.4
129.95317	1.6
131.00166	10.4
133.01762	5.4
134.99684	2.3
140.98619	5.2
143.00169	8.1
144.98062	3.5
146.99675	6.5
152.98582	6.1
156.10158	4.2
157.01790	3.3
158.09274	2.0
158.99677	23.2
161.01256	6.4
170.99611	10.0
171.85573	2.0
173.01227	2.9
174.11252	17.0
175.02820	8.7
175.08636	4.5
175.11661	18.9
177.00725	8.0
177.11864	2.0
187.02835	2.7
188.97005	4.6
189.00728	6.2
193.03876	4.7
201.00693	9.5
202.98660	2.4
207.01836	2.4
211.04794	2.5
212.96999	2.3
217.03859	6.2
219.01779	51.9
230.98192	6.5
235.04921	2.7
237.02824	39.8
244.99794	5.0
263.00769	8.1
277.02637	4.9
277.05930	43.8
290.10178	1.9
295.07025	100.0
301.94250	1.8
303.88287	1.9
337.08475	88.8
337.17163	19.7
355.09116	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	337.0898
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
69.94274	9.0
69.94666	3.3
87.12761	2.6
101.00889	3.2
114.19526	2.4
127.02483	3.0
130.08609	3.5
145.03523	4.4
155.01941	5.4
157.03497	3.6
171.01346	2.5
173.02972	3.9
185.71428	2.7
217.01900	15.9
229.02013	3.9
247.03119	2.8
337.09052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1075
Annotation	(+)-Hatomarubigin A
Peak:m/z	Relative Intensity
53.03938	2.2
67.05506	1.6
70.13059	2.5
70.13446	1.7
71.05017	4.7
74.09714	1.0
77.03932	1.3
79.05502	4.8
81.07066	1.6
91.05495	2.6
93.03419	1.0
93.07076	1.4
95.08591	1.1
103.05484	1.7
104.96019	0.9
105.03406	1.6
105.07118	1.1
107.04969	1.4
111.04475	1.3
115.05486	4.1
117.07025	1.3
119.04975	1.7
123.04429	1.0
123.11721	1.0
128.06248	2.8
129.07018	17.4
131.04915	2.3
133.02855	3.2
135.04427	100.0
136.04767	1.1
139.05428	1.6
143.04956	1.2
144.05788	1.1
145.06570	1.3
147.04405	3.6
149.02362	2.9
149.06013	7.0
151.03909	1.8
153.07014	2.5
155.04982	0.9
157.06520	6.7
159.04440	1.3
160.52142	0.9
161.05975	2.5
163.03943	4.7
165.05568	1.1
165.06998	1.7
167.04884	1.1
173.06006	11.8
174.06738	1.3
175.03951	4.4
175.07584	2.2
177.05508	7.2
177.06943	1.4
179.08540	0.9
181.06537	1.3
184.05231	1.0
185.05998	39.4
186.06740	0.9
187.07562	12.9
189.05461	1.0
190.07782	2.7
191.08531	5.0
193.10237	1.2
195.06557	9.8
197.06000	6.8
202.07797	7.3
203.08586	34.0
205.06529	2.3
209.05991	21.1
210.06604	1.6
211.07619	1.9
212.04689	1.3
213.33432	0.9
215.07002	17.3
218.07330	2.2
219.08069	8.7
221.09593	1.5
225.05441	1.4
231.05740	1.5
231.08051	28.8
232.26563	0.9
233.05957	1.8
233.09651	1.1
234.06812	1.0
235.07555	3.5
237.05508	13.5
238.06281	0.8
246.06827	11.8
247.07593	3.0
249.09152	13.2
259.07547	5.6
261.06244	1.5
261.09109	29.1
262.06290	2.8
263.07230	2.0
266.05759	30.0
267.06549	39.5
274.06238	6.7
275.06857	1.5
277.08664	13.0
279.06531	14.2
279.09805	1.0
280.07458	1.4
289.08615	51.4
290.05713	1.4
290.08807	1.2
291.06583	1.0
292.07407	2.1
293.08038	3.1
303.06537	2.6
304.07300	6.4
307.09689	10.9
309.11252	2.1
319.09692	40.0
320.10144	1.6
337.10693	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0895
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
55.05501	0.6
62.43666	0.6
67.05506	0.6
67.66772	0.4
69.03447	1.0
69.07087	0.7
70.06615	1.6
71.05009	0.5
71.51932	0.7
72.08177	0.8
79.05516	0.8
81.07075	0.7
83.05003	0.7
84.08167	1.1
85.02928	1.2
86.09776	1.0
86.82602	0.5
87.04508	0.5
91.05500	0.6
93.07076	0.8
95.04997	0.9
97.02907	0.8
97.06599	0.6
99.39526	0.4
105.07027	0.6
107.08639	0.6
109.10208	0.7
116.07081	0.5
118.95972	0.4
119.08601	1.0
121.10198	0.5
131.08684	0.5
133.10150	1.0
135.04457	1.2
137.02403	0.5
137.06021	0.7
147.04512	0.8
161.02452	0.5
175.03711	6.2
175.14836	1.1
176.18076	0.5
185.04240	10.5
203.03424	1.1
235.13382	0.7
305.11697	0.6
309.07806	1.4
337.09122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0707
Annotation	Garhwalin
Peak:m/z	Relative Intensity
51.02382	0.0
51.07349	0.0
53.00306	0.0
53.03935	0.2
53.15980	0.0
55.01867	0.3
63.02362	0.0
65.03598	0.0
65.03937	0.5
67.05502	1.4
68.87093	0.0
68.99445	0.1
68.99782	1.1
69.00156	0.1
69.03436	0.1
71.52154	0.0
76.78994	0.0
76.79374	0.0
77.03957	0.1
78.34451	0.0
79.05487	1.0
80.65109	0.1
80.65595	0.1
81.03416	0.3
89.03895	0.3
91.05476	1.6
92.99779	0.1
93.03396	0.3
95.01353	0.0
95.04964	3.3
103.05493	0.1
105.03384	0.3
105.04527	0.1
107.01298	0.1
107.04951	2.7
109.02843	0.1
111.04440	0.1
117.03378	0.2
118.04108	0.2
119.04940	3.7
119.36993	0.0
119.42936	0.0
121.02862	6.3
122.03123	0.0
123.04433	0.5
129.03325	0.1
131.01282	0.1
131.04921	0.2
133.02771	0.1
133.06512	0.0
134.03641	0.1
135.04413	3.9
137.02333	0.1
137.06000	0.1
139.03838	0.1
141.06960	0.1
142.41302	0.0
144.05792	0.0
145.02837	6.4
146.03244	0.0
147.04398	0.3
147.05519	0.0
148.01492	0.0
149.02336	1.0
150.02998	0.0
152.06175	0.0
153.05490	0.1
153.06953	0.0
155.08531	0.0
157.06445	0.1
159.04474	0.1
161.02306	0.1
161.05994	0.1
162.03262	0.0
163.03896	19.6
164.04195	0.2
165.01743	0.2
165.05498	0.1
165.07011	0.2
166.07637	0.0
167.03421	0.3
167.08559	0.1
169.02838	0.0
169.06392	0.0
171.04506	0.0
173.02350	0.6
175.03847	0.1
176.01027	0.6
176.06120	0.0
177.01920	0.2
177.07016	0.1
178.07835	0.2
179.08514	0.3
180.04204	0.0
181.04948	5.8
182.05534	0.0
182.07358	0.1
183.07974	0.2
185.09602	0.1
187.03952	0.2
189.01711	0.2
189.05495	0.1
189.07027	0.1
190.02599	0.4
191.03381	9.7
192.03760	0.1
193.06421	0.1
194.02188	0.2
194.07288	0.1
195.02989	0.0
195.08109	0.3
197.06126	0.1
197.09590	0.1
198.06645	0.0
201.01811	0.1
207.08096	0.4
208.03708	0.1
209.04420	1.5
210.06708	0.3
211.07524	0.3
213.05524	0.1
213.09070	0.2
215.03609	0.0
217.04948	0.1
218.07275	0.1
219.02908	0.3
221.05940	0.2
223.07811	0.1
225.09116	0.3
226.06142	0.1
229.04976	0.4
231.02747	0.0
234.06552	0.1
235.07448	0.4
237.05409	0.2
238.06300	0.3
239.07028	1.2
241.04941	0.0
241.08669	0.1
245.05899	0.0
249.05429	0.1
252.07716	0.3
253.08574	1.5
254.05933	0.1
254.09030	0.1
255.06404	0.2
263.07004	1.0
264.07605	0.1
265.05051	0.1
266.05655	0.6
267.06488	1.8
268.07114	0.0
270.05139	0.3
273.03671	0.1
274.06293	0.1
279.06509	3.5
280.07214	0.4
281.08060	33.9
282.08417	0.5
283.05994	0.4
291.06491	1.1
292.06866	0.1
293.04697	0.1
293.08026	0.1
294.05197	2.2
295.06012	0.8
307.06061	0.7
308.06787	2.1
309.07541	82.8
310.07870	1.3
319.06293	0.1
335.05740	0.1
337.07016	100.0
338.07391	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89961	1.3
56.96569	17.1
57.03445	1.7
58.99869	1.5
61.02957	1.5
64.96438	1.4
69.03430	2.4
69.24842	13.1
70.06593	4.2
70.98123	5.3
70.99857	1.4
77.00904	1.7
79.10918	1.3
80.79310	1.2
82.10575	1.4
82.99864	4.7
84.08156	6.8
84.96043	1.4
85.01412	4.2
85.02911	5.6
94.99856	1.6
97.02923	3.2
98.20710	2.7
98.97588	27.1
100.02312	1.3
100.99201	1.8
101.00885	24.2
103.02461	9.5
110.97588	5.8
113.00851	10.7
115.02428	1.6
116.07097	5.7
116.98634	11.1
119.01921	26.7
121.01627	1.5
121.03494	4.5
124.95497	3.2
126.97086	1.8
127.02412	18.7
127.03920	1.7
128.98593	8.6
130.08644	8.2
131.00220	3.7
131.01918	30.3
133.03473	6.1
133.60034	1.3
134.99690	3.6
135.04436	1.7
138.98874	1.8
139.02443	7.0
142.96518	3.8
143.00169	2.1
143.01926	6.9
144.98114	2.1
145.03476	63.2
146.99614	6.8
147.01370	4.0
149.01244	3.1
149.02953	2.7
152.95041	1.9
155.01910	27.1
156.98146	2.6
156.99873	1.6
157.01633	1.6
157.03485	34.8
158.99632	2.9
161.01675	1.3
161.02988	7.0
163.02676	1.9
163.04588	3.1
165.00734	2.5
167.01962	2.5
168.05035	2.4
168.85547	1.4
169.03444	1.6
170.96043	3.4
170.99788	2.5
171.01357	12.0
171.05032	1.7
172.97661	1.9
173.02975	44.3
173.50520	1.9
174.99152	5.3
175.04536	12.1
177.00726	2.5
183.01459	4.4
183.05244	1.7
185.02979	10.6
186.99123	2.3
187.04497	3.5
188.97098	6.3
189.00717	6.0
189.02460	13.3
190.98651	3.0
191.02280	1.7
191.03886	2.4
193.00192	4.2
193.01936	2.4
197.03082	1.5
198.99355	1.3
199.00887	8.9
199.04564	1.9
201.00745	1.7
201.02437	3.7
201.06015	1.5
202.98663	4.1
203.03989	6.8
205.00182	6.7
206.98116	2.1
207.01738	3.6
208.99767	2.1
211.01019	2.4
211.04550	1.6
217.00229	5.1
217.01962	100.0
218.02187	1.9
219.01770	4.7
220.99643	2.0
221.03169	2.9
221.05078	14.0
223.01234	1.8
226.00682	1.9
229.01945	28.4
229.05530	2.2
230.98111	4.5
232.99742	1.5
235.01123	2.6
235.03059	26.8
235.06633	2.2
237.02931	2.0
239.06203	9.5
244.99686	4.1
245.05052	2.7
247.02994	19.3
247.06784	5.2
256.02774	2.1
263.00797	11.9
265.07690	4.4
275.06210	14.5
277.04108	4.8
277.07748	5.4
281.01352	1.7
291.00272	2.3
295.03461	2.4
295.09073	2.8
305.01691	2.1
319.05136	13.9
321.04984	1.8
337.06039	9.5
337.09515	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	336.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	44.5
69.07053	64.6
70.63955	50.3
81.07036	52.7
85.06525	29.3
91.05480	26.0
93.07040	26.1
95.08627	31.9
97.06575	44.0
107.08591	37.9
109.10152	100.0
111.11697	35.7
133.10210	28.8
135.11665	25.4
197.01198	22.6
199.11185	49.8
228.06560	26.5
262.12399	25.5
291.10110	28.0
305.11670	39.1
309.07706	28.8
336.13278	39.7
336.21613	38.2
337.07092	33.0
337.14362	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
58.06603	2.2
67.05500	5.3
69.07095	3.9
70.28599	1.4
71.04983	1.6
71.51785	1.4
75.04447	1.7
76.07643	3.3
77.78830	1.4
79.05493	3.3
81.07052	4.0
83.65972	1.5
90.54527	1.6
91.05467	1.4
93.07045	3.1
95.08616	2.3
97.06529	1.8
107.08573	2.8
109.10149	1.9
110.06054	1.9
153.12784	1.9
193.00200	1.6
200.07918	3.7
203.08405	4.1
204.08977	4.3
216.08981	4.3
219.07932	2.2
220.08363	3.6
231.07666	2.3
232.08432	6.7
233.09312	2.1
234.09975	3.3
235.13416	1.7
246.10033	7.5
247.07141	1.8
247.10822	8.9
248.07964	5.3
250.09676	1.8
250.91730	1.8
259.07129	2.3
260.07935	5.9
261.08685	6.3
261.75760	1.6
262.09476	9.2
263.10245	4.8
264.07059	1.8
273.09073	2.6
274.09546	11.5
275.07440	1.8
275.10172	7.9
276.07352	4.0
277.12091	2.2
278.08908	5.2
278.12598	9.1
289.08414	7.3
290.08963	22.7
291.06488	2.8
291.09793	5.4
292.07224	1.6
294.24173	2.8
304.10550	25.9
305.08084	2.6
305.11270	34.3
306.08444	12.7
306.12036	13.4
307.09320	5.0
320.10199	4.8
321.10849	15.2
336.13138	100.0
336.21823	10.6
336.25635	12.6
337.07162	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	336.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
55.05311	0.6
55.05518	6.5
57.03446	1.4
57.07079	1.7
67.05515	10.7
68.05836	2.1
69.07077	39.8
69.23270	2.3
69.23691	4.6
70.62969	0.7
71.04992	2.0
75.26337	0.7
79.05502	6.2
81.07070	8.9
82.07419	0.8
83.04991	8.8
83.08630	2.6
85.06538	2.5
91.05477	4.1
93.07056	27.9
93.07645	1.4
94.07360	1.1
95.08619	9.0
96.08939	1.1
97.06545	18.1
105.07056	1.6
107.07878	1.6
107.08604	30.5
108.08987	1.0
109.10168	17.8
110.10519	1.2
111.08091	2.8
116.60339	0.7
121.10181	1.1
123.11677	1.1
125.09693	1.0
134.10536	0.7
135.11707	14.5
153.12766	100.0
154.13092	0.8
161.09689	1.2
201.06886	0.7
201.18816	0.7
290.08942	0.9
319.19061	28.5
336.13104	1.8
336.26099	12.5
336.32422	1.3
337.27579	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.05520	7.6
55.52470	0.5
57.03447	3.6
57.07081	1.7
59.05007	1.5
65.03930	1.0
67.05515	12.2
68.05834	1.4
69.07077	8.3
70.06604	4.5
71.05001	14.8
71.08636	0.7
72.48808	0.6
73.06570	5.2
79.05499	8.4
80.05848	0.8
81.07069	32.6
82.07400	0.7
83.04948	0.8
83.08628	2.7
84.08115	0.7
87.28841	0.6
88.33378	0.6
91.05504	3.7
93.07061	19.1
94.07382	0.7
95.08623	9.5
96.08158	2.4
96.08922	0.9
97.06534	2.6
97.10192	1.3
105.07039	2.5
106.38014	0.6
107.08613	13.8
108.08974	1.1
109.10163	5.1
110.10504	0.9
111.08121	1.2
119.08582	2.1
121.10171	1.2
123.11693	1.4
133.10107	1.9
135.04453	0.9
135.11711	28.7
136.12120	0.8
147.11674	0.9
153.12764	100.0
154.13133	0.9
170.67039	0.6
185.05978	0.7
229.64055	0.7
261.08896	1.3
267.06705	0.8
275.10379	1.0
277.33298	0.6
289.08624	1.2
290.09045	1.6
304.10565	1.7
305.11401	2.8
306.08591	0.7
306.12164	1.0
318.31583	7.6
321.10873	0.9
336.13187	6.2
336.26471	7.4
336.32556	10.1
337.27405	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	336.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.05507	3.6
57.03436	6.5
58.06588	2.1
59.06138	1.2
65.03934	1.7
67.05508	19.9
68.02650	2.1
69.07066	3.7
69.96357	0.9
70.00728	4.0
70.06597	57.1
71.04998	1.4
74.06070	1.2
77.03898	1.3
79.05498	100.0
80.05804	1.2
81.03434	1.5
81.07061	24.8
82.02933	1.3
83.04956	1.6
83.36285	0.9
83.81716	0.9
88.07644	6.5
91.05488	44.0
93.07047	12.9
95.04978	15.7
95.08604	2.3
97.06538	2.7
98.06079	1.0
105.07037	46.8
107.04979	6.6
107.08598	61.2
109.06517	3.1
109.10160	1.3
117.06998	2.4
119.06030	1.7
119.08582	16.4
121.10110	1.5
122.06068	1.2
129.07051	4.9
131.08586	7.1
133.06465	1.7
133.10147	12.4
137.08360	10.7
142.07767	2.1
144.10239	3.9
145.10118	3.9
147.08049	6.6
147.11697	59.1
155.09447	10.1
157.10115	6.3
159.11790	1.2
175.11194	11.8
192.13838	1.8
204.13754	1.7
211.12038	4.0
217.78587	1.0
244.16982	16.6
262.09509	1.1
262.18024	21.6
280.19180	5.3
290.08948	2.2
304.10544	2.6
305.11252	2.6
318.20639	73.9
336.13071	5.9
336.26114	4.5
343.25894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.7
58.74052	0.6
59.68693	0.7
69.07072	7.2
70.06596	4.9
72.08168	1.4
75.05587	0.9
81.07082	0.9
83.16617	0.6
86.09715	100.0
93.07050	1.0
95.08627	1.6
103.05491	1.8
107.04993	1.2
111.11713	6.5
116.07131	1.6
120.08119	63.5
121.02926	0.9
121.10164	1.1
128.07082	1.0
131.04991	1.0
137.05995	3.3
139.11186	7.8
143.11810	78.6
144.10242	1.2
145.02966	1.1
149.06023	1.9
157.12268	10.2
163.03937	2.3
166.08658	36.2
171.11304	25.2
171.12738	1.5
177.10310	3.5
191.03488	1.5
200.90569	0.7
279.06815	1.0
281.08090	6.3
294.05377	0.9
309.07581	14.4
318.19342	0.9
336.18256	0.8
336.21854	2.4
336.25864	0.7
337.07101	18.9
337.13959	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66405	3.9
55.05508	13.7
57.07074	12.4
59.04990	8.7
65.03943	3.9
67.05501	18.2
69.07078	36.3
70.06583	8.7
71.05001	30.2
71.52094	5.8
73.06544	7.3
79.05507	25.6
81.07069	89.9
82.07373	4.4
83.08633	9.8
89.84965	3.8
91.05476	17.3
93.07053	77.5
95.04987	5.6
95.08617	24.2
97.06534	9.6
105.07031	11.2
107.04995	20.9
107.08614	72.3
109.10136	13.0
123.11701	9.0
125.13322	5.1
135.04407	14.0
135.11703	97.5
153.12766	100.0
193.08626	6.5
203.08643	4.9
240.19113	3.8
241.15849	13.6
248.07945	4.6
267.06543	8.0
289.08356	7.4
290.08966	11.1
304.10471	15.3
305.11270	18.5
306.08395	4.3
306.11948	8.2
309.07672	4.5
321.10919	5.0
336.13229	52.1
336.22522	5.0
336.26007	22.2
337.07043	7.0
337.14078	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	336.2173
Annotation	Ankorine
Peak:m/z	Relative Intensity
57.03433	5.7
67.05508	7.6
68.25414	2.7
70.06599	34.6
71.52299	2.7
75.76810	2.6
79.05502	100.0
81.07059	21.5
91.05473	22.4
93.07054	12.8
95.04963	11.7
98.20719	2.7
105.07037	25.5
107.04961	8.3
107.08601	77.9
109.06517	5.6
118.96729	2.7
119.08555	6.4
122.36057	3.5
123.35577	2.6
129.06993	4.1
133.06529	5.1
133.10139	12.9
134.06064	3.1
137.08406	4.4
147.08139	3.6
147.11699	12.2
155.09479	6.0
175.11194	6.2
211.12204	3.5
211.77512	2.8
244.16988	12.1
261.09006	2.9
262.18082	15.1
296.96451	3.0
305.11279	6.6
306.08731	4.2
318.20694	79.8
318.24454	4.3
336.13339	15.8
336.21799	5.6
336.25952	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	336.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.7
57.07076	0.8
58.77175	0.3
61.02959	0.4
61.91399	0.3
66.58983	0.4
67.05508	2.9
69.03440	12.8
69.07067	0.8
70.63928	0.6
70.64249	0.6
71.01350	1.3
72.08168	0.5
79.05502	1.6
81.07069	4.7
83.04979	1.1
90.64482	0.3
91.05495	1.8
93.07068	2.3
95.04969	2.2
95.08630	2.0
97.06536	1.7
98.20914	0.4
105.07047	1.7
107.04984	0.6
107.08614	5.7
109.06535	2.5
109.10146	2.1
113.49617	0.5
120.78630	0.4
121.06618	0.5
121.10157	1.7
123.08079	4.2
123.11683	2.1
125.09647	100.0
127.07575	1.2
133.06493	0.5
133.10143	1.3
139.11205	1.0
149.09621	0.8
151.11209	19.6
152.11969	0.8
171.94749	0.4
185.11732	2.1
189.09021	0.4
202.08710	0.4
206.11856	0.4
241.08598	0.5
302.17484	3.6
309.07211	0.7
336.13297	0.8
337.06976	0.7
337.14447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86013	0.4
53.97071	0.5
55.05510	1.1
67.05513	3.3
69.03436	13.9
69.07058	0.7
71.03561	1.1
71.04985	0.7
73.47553	0.5
74.18604	0.5
79.05479	2.2
81.07070	5.5
83.04956	1.3
85.02905	0.7
91.05486	2.0
93.07057	1.9
95.04978	2.5
95.08619	1.7
97.06522	1.0
105.07039	1.6
107.08601	6.1
109.06548	3.3
109.10170	2.0
110.06847	0.5
121.10161	1.6
123.08102	4.6
123.11743	2.7
125.09641	100.0
127.07573	1.2
133.10136	1.4
139.11201	0.8
149.09698	1.2
151.11201	22.4
167.10663	0.7
185.11731	1.5
233.49330	0.6
241.08546	0.7
282.64648	0.6
302.17551	4.1
306.12668	0.6
309.07394	0.8
336.13144	1.1
336.25372	0.8
337.07434	0.7
337.14417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1669
Annotation	Isopentenyl adenosine
Peak:m/z	Relative Intensity
55.01872	1.2
55.05503	0.4
57.03436	1.5
67.05503	0.4
69.03416	0.7
69.07073	7.8
69.97138	0.8
69.97533	0.6
72.08163	0.4
73.02923	0.6
84.39452	0.3
85.02899	1.5
97.02869	0.8
100.11268	0.7
106.01602	0.4
107.91999	0.4
110.18201	0.3
119.03564	0.7
121.62336	0.4
136.06195	100.0
137.04486	0.4
148.06190	37.9
149.91762	0.4
204.12460	77.8
205.12820	1.0
209.16492	0.8
237.54808	0.4
309.07520	1.4
336.16672	41.4
337.07156	2.0
337.16980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03947	4.6
55.01858	1.6
55.05280	1.5
55.05514	19.7
57.03439	20.3
57.07055	2.2
65.03920	2.4
67.05504	74.1
69.03431	1.0
69.07068	19.3
69.76652	4.7
71.04990	1.9
71.08618	0.8
77.86971	0.8
79.05492	38.1
81.07056	63.0
83.04973	1.4
83.08619	7.5
85.06517	1.8
85.60110	0.8
91.05483	20.1
91.44962	0.9
93.07046	39.3
95.04945	3.1
95.08607	49.7
97.06517	2.6
97.10172	1.7
98.20994	2.2
98.21535	0.9
98.98454	2.0
105.04539	1.4
105.07022	11.0
107.08592	16.3
109.06485	1.6
109.09468	1.4
109.10160	17.7
111.08095	1.3
117.07024	3.3
119.08593	8.8
121.10151	14.6
123.08051	1.9
123.11713	6.3
131.08577	4.5
133.10130	6.0
135.08078	0.9
135.11693	9.0
137.06006	1.1
137.09682	1.0
137.13254	1.5
145.10132	3.5
145.11188	0.8
147.11720	4.0
149.13252	4.1
159.11694	2.4
161.13269	3.1
163.11183	0.9
163.14822	2.1
173.13284	2.4
175.14731	0.9
187.14828	1.5
231.08109	1.3
232.08829	2.0
243.21141	1.5
249.09259	1.2
260.08267	1.8
261.22165	2.5
266.46555	1.0
275.10641	2.2
277.08591	2.9
288.07800	1.4
289.08530	1.1
303.10010	4.3
304.10858	1.9
305.08105	2.1
305.11600	1.6
315.85904	0.9
320.10477	3.9
335.12830	19.4
335.25787	100.0
336.25763	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1442
Annotation	7,8-Dimethoxymyrtopsine
Peak:m/z	Relative Intensity
56.96556	0.3
57.03437	0.5
60.04515	0.2
60.87440	0.2
61.02928	0.3
67.05484	0.4
68.99826	0.3
69.03428	0.7
69.24889	0.5
69.25296	1.9
70.06593	0.6
75.79239	0.2
84.08154	10.4
85.02908	1.1
89.10197	0.2
91.05472	0.3
95.04980	0.6
97.02923	0.6
97.35629	0.2
98.20868	0.8
98.97588	0.6
99.04483	0.2
101.00892	0.7
107.04977	0.4
109.02905	0.3
109.06515	0.4
110.09655	0.3
111.10030	0.2
113.00945	0.3
119.01916	0.7
123.04437	1.1
127.03930	0.4
128.10742	0.4
131.08540	0.2
137.06056	0.3
138.14267	0.2
139.03946	0.3
143.01901	0.5
143.08589	0.4
145.06494	0.3
145.10110	0.4
147.08046	0.3
149.02478	0.3
149.05992	0.7
151.03983	0.4
152.07054	0.3
153.05490	0.9
155.08559	0.3
156.10248	0.3
157.06404	0.3
157.10031	0.3
159.08089	0.6
163.03963	0.6
167.08588	0.4
171.08046	1.1
173.05966	0.4
173.09627	0.7
174.11301	1.9
175.07616	0.4
177.05531	0.4
179.07065	0.3
181.06557	0.2
185.05951	0.3
185.09624	0.9
187.07597	0.6
189.09052	0.3
195.08032	0.4
199.07584	1.8
201.09102	1.1
205.03438	0.3
213.09149	1.6
215.10696	0.4
217.08559	0.7
219.01717	0.4
219.10226	0.6
221.05055	0.6
223.07578	0.5
225.09111	0.3
227.07062	1.6
231.10164	0.6
235.04536	1.1
241.08600	1.5
243.10173	0.8
244.06540	0.4
245.08141	0.6
253.05574	0.6
259.09726	1.1
261.11255	0.8
269.08075	0.7
287.09229	1.6
292.15497	0.6
293.10092	0.4
300.12189	0.5
305.10196	2.8
313.07703	1.0
318.13385	0.5
334.12860	0.3
336.14429	100.0
337.14694	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.07857	2.0
53.03942	3.4
55.05511	13.4
57.03443	18.7
67.05509	71.0
69.07068	17.4
79.05501	30.0
81.07060	55.5
83.08617	5.9
91.05479	17.6
93.07052	35.0
95.04938	2.7
95.08613	58.8
97.06538	2.8
98.20777	7.1
99.61208	2.8
105.07042	12.2
105.43649	2.1
107.08578	17.6
109.10169	21.8
119.08586	7.9
121.10132	14.9
123.11736	7.4
131.08543	5.3
133.10135	7.2
135.11673	6.5
137.13255	3.9
145.10121	4.7
147.11670	4.3
149.13272	6.0
161.13197	3.3
163.14862	3.2
187.14821	2.4
243.21025	3.2
261.22134	6.2
278.39410	2.3
335.25830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2583
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03936	2.1
55.01867	0.9
55.05517	12.5
57.03446	17.8
57.07065	2.2
65.03938	1.7
67.05511	56.5
69.07073	12.3
69.85345	2.2
71.04993	1.3
71.08629	1.0
75.62932	0.5
77.03915	0.8
79.05500	29.6
80.06307	0.6
81.07064	58.5
83.04987	1.2
83.08212	0.7
83.08624	6.7
85.06573	1.1
91.05489	15.0
93.07054	34.6
95.04969	1.9
95.08616	47.7
96.42645	0.5
97.06528	1.7
97.10159	2.5
99.08103	0.8
105.04504	0.5
105.07040	10.9
107.08610	19.7
109.06509	1.0
109.10169	20.3
109.81687	0.5
111.08087	1.5
117.07022	5.0
119.08594	10.0
121.10148	15.6
123.08092	1.0
123.11721	8.3
127.07574	0.5
129.05460	0.7
131.08580	7.7
133.10138	7.6
135.11708	13.1
137.09756	0.6
137.13278	2.4
139.11113	0.6
143.14577	0.5
145.10139	5.8
147.11719	5.1
149.09654	0.8
149.13277	6.7
151.14767	0.7
159.11713	4.6
161.13289	4.4
163.11176	0.8
163.14844	3.2
165.12762	0.5
173.13304	4.3
175.14853	1.8
177.16327	1.2
187.14792	2.8
201.16406	1.2
217.19446	0.6
217.88246	0.5
243.21120	5.9
261.22165	9.5
277.21716	0.6
279.23358	1.4
291.23227	0.8
299.23712	0.6
305.07977	0.6
317.24786	4.2
335.25815	100.0
336.26074	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03938	2.7
55.05515	12.6
57.03442	17.6
57.07065	2.2
65.03928	2.2
67.05511	60.3
69.06732	0.9
69.07076	13.6
70.83836	1.4
71.04996	1.3
71.08634	1.2
77.03914	0.9
78.03630	0.6
79.05500	30.0
81.03379	0.6
81.07064	57.3
83.04975	1.4
83.08628	6.3
85.06529	1.8
85.30437	0.6
91.05487	15.0
93.07053	31.9
95.04965	1.9
95.08614	46.0
97.06519	1.9
97.10191	2.2
105.04536	1.0
105.07038	9.3
105.53827	0.6
107.08607	20.4
109.06519	1.2
109.10165	18.9
111.08110	1.5
117.07019	3.5
119.08585	7.7
121.10149	13.4
123.08084	1.1
123.11719	6.5
129.05492	0.7
129.54590	0.7
131.08585	5.9
133.10146	7.0
135.11699	9.3
137.09622	1.0
137.13271	2.3
139.76115	0.6
145.10136	4.3
147.11711	5.2
149.13263	6.4
151.11101	0.8
151.14835	0.7
159.11694	3.5
161.13245	3.5
163.11156	0.7
163.14847	3.0
165.12775	0.9
173.13264	2.9
175.14832	1.7
177.16373	0.8
187.14830	1.8
201.16397	1.0
222.75795	0.7
243.21077	3.5
261.22174	5.9
279.23303	1.0
317.24792	3.5
335.25824	100.0
336.26196	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03949	3.5
55.01862	1.1
55.05513	16.1
56.52945	0.6
57.03439	17.8
57.07062	1.7
65.03928	2.6
67.05505	63.5
69.07069	16.1
69.19278	3.3
69.19702	2.9
71.04968	1.6
76.10232	0.6
77.03928	1.2
79.05494	34.6
81.03410	0.6
81.07057	55.0
83.04964	1.4
83.08629	6.0
85.06561	1.2
91.05487	15.8
93.07045	33.8
95.04958	2.5
95.08608	41.4
97.06536	2.2
97.10147	3.1
98.21001	3.0
98.98488	0.8
99.08128	1.3
105.06391	1.0
105.07033	10.7
107.08595	16.4
109.06499	1.9
109.10161	15.5
111.08051	0.8
117.07015	2.6
119.08585	6.3
121.09319	1.1
121.10142	13.3
123.08051	1.2
123.11714	5.6
131.08557	5.5
133.10097	4.2
135.11690	5.8
137.13243	1.4
145.10109	3.2
147.11713	3.7
149.13222	3.6
159.11708	1.8
161.13272	2.6
163.14806	0.8
173.13266	2.2
175.14717	0.8
177.16318	0.7
187.14824	1.1
243.21083	1.3
261.22101	2.3
335.12711	2.2
335.25800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11078	0.6
65.60058	0.8
67.05505	2.7
69.07091	1.6
70.15185	0.8
71.52262	1.1
72.04510	1.8
72.33515	0.7
79.05471	1.5
81.07069	3.5
91.05454	1.5
93.07043	2.0
95.08616	2.4
105.07042	1.8
107.08637	1.5
121.10141	1.3
123.11788	1.0
143.28137	0.8
147.04401	0.7
161.05952	0.9
165.12823	1.5
166.13159	1.2
175.07635	0.8
191.08662	1.2
195.06581	1.6
195.09987	1.4
199.07535	1.8
201.06944	0.7
202.07872	2.7
203.08626	3.3
215.08675	2.5
217.10229	0.9
219.08002	3.9
224.70970	0.9
230.07344	1.7
231.08089	6.2
233.06050	0.9
233.09682	1.7
243.08072	1.6
245.09669	3.7
246.06870	1.2
246.10390	6.0
247.07600	5.6
249.09268	1.2
259.07547	4.0
260.08276	3.5
261.09143	6.0
262.09937	3.4
263.07086	1.3
272.08459	2.6
273.09109	10.0
274.07004	1.1
274.09930	5.4
275.07065	3.5
275.10654	1.6
276.07874	1.3
277.08707	3.6
277.12308	5.7
282.09015	1.1
287.07156	1.2
288.07840	4.1
289.08600	20.3
290.06271	1.1
290.09460	4.4
291.06625	1.0
303.10196	18.6
304.10950	27.5
305.08069	8.9
305.11786	8.6
306.08850	2.5
307.09540	1.2
319.09717	2.7
320.10516	12.4
321.10117	1.2
335.12863	66.0
335.21939	100.0
336.12625	3.4
336.22122	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.128
Annotation	5-Methoxy-2,2-dimethyl-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
50.58060	0.2
51.89946	0.2
52.49120	0.2
56.70123	0.3
60.20385	0.2
66.09560	0.2
69.22495	2.1
75.04492	1.2
79.05492	0.3
81.07076	0.4
89.03897	0.4
91.05475	0.5
103.05463	0.2
107.08566	0.3
125.06007	0.3
131.04932	0.3
135.04414	0.9
145.10162	0.2
147.04419	1.2
149.05975	0.4
151.07506	0.6
159.04422	0.5
161.05994	0.3
169.06537	0.4
171.41850	0.2
175.07503	0.4
178.07867	0.3
181.06467	0.4
182.07254	0.3
185.05948	0.5
189.06993	0.7
190.07848	0.3
191.08539	1.2
199.07541	4.1
202.07756	3.0
203.08566	5.2
204.09442	0.5
205.06448	0.7
205.10095	0.5
207.08176	0.4
213.07208	0.4
213.09154	1.0
214.07745	0.4
215.08589	3.7
216.09387	0.8
217.10175	1.7
218.07277	1.1
219.08057	5.5
220.08893	0.3
221.09602	0.3
223.07645	0.3
227.08594	0.3
229.06432	0.5
230.07285	1.9
231.08051	8.9
232.08832	1.9
233.06026	0.6
233.09622	2.9
234.06654	0.2
234.10393	1.0
235.07500	0.6
239.07021	0.6
242.07175	0.4
243.08066	2.0
244.08772	1.1
245.09631	5.7
246.06876	1.4
246.10405	8.9
247.07545	7.9
247.11256	0.9
248.08279	0.6
249.05365	0.4
249.09157	1.6
251.10745	1.2
257.06177	0.4
257.09308	0.2
258.06708	0.5
259.07584	5.7
259.10559	0.3
259.11447	0.3
260.08340	5.2
261.09122	8.4
262.06348	1.1
262.09903	7.0
263.06979	2.0
263.09488	0.3
264.07834	0.3
264.11411	0.4
267.06479	0.5
271.07556	0.6
271.21097	0.2
272.08325	2.3
273.09106	11.6
274.06378	1.0
274.09872	8.8
275.07034	4.1
275.10580	2.2
276.07840	2.1
276.11279	0.6
277.05328	0.5
277.08624	4.9
277.12244	9.0
278.09180	0.3
278.12274	0.3
279.10294	0.5
279.13824	0.7
282.08871	2.0
287.07114	1.4
287.09888	0.3
288.07822	6.3
288.10995	0.3
289.08603	27.2
290.05777	1.7
290.09363	5.6
291.06531	1.2
291.10107	1.4
292.07233	0.6
292.10541	0.5
303.10165	26.5
304.10950	40.9
305.08096	11.7
305.11725	15.5
306.08960	2.7
307.09637	2.2
307.13165	0.6
319.09714	4.4
320.10443	15.3
335.12790	100.0
336.13260	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.128
Annotation	5-Methoxy-2,2-dimethyl-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
51.01716	0.2
55.01846	0.2
63.91411	0.2
70.15432	0.1
71.53408	0.2
71.53846	0.2
75.04482	1.3
79.05460	0.3
89.03912	0.3
91.05474	0.3
103.05396	0.1
128.06232	0.2
135.04396	0.6
139.05371	0.2
141.06989	0.3
144.90121	0.2
145.06555	0.3
147.04414	1.3
149.05983	0.2
151.07526	0.6
153.06960	0.2
157.06490	0.2
159.04440	0.2
161.05980	0.4
167.04884	0.2
169.06432	0.3
173.06026	0.3
173.31297	0.1
174.07315	0.2
175.07632	0.4
181.06483	0.4
182.07333	0.3
183.08015	0.2
185.05994	0.5
189.07004	0.5
190.07724	0.4
191.08566	1.1
193.10219	0.2
197.06015	0.3
198.06863	0.2
199.07529	4.6
202.07745	3.6
202.09502	0.3
203.08560	5.5
204.09319	0.7
205.06497	0.7
205.10098	0.4
206.07175	0.2
207.08099	0.5
209.05925	0.3
211.07556	0.3
213.07033	0.4
213.09108	1.2
214.07730	0.2
215.08571	4.4
216.09352	1.0
217.06549	0.3
217.10126	1.9
218.07167	1.0
219.05925	0.3
219.08046	6.1
220.08788	0.2
221.09589	0.6
223.07492	0.2
227.08565	0.4
229.06454	0.4
230.07225	2.3
231.08051	10.8
232.08830	1.8
233.06134	0.7
233.09612	3.7
234.06795	0.5
234.10405	1.1
235.07529	0.7
235.11208	0.2
236.08398	0.2
238.06360	0.3
238.09818	0.2
239.07028	0.8
242.07262	0.5
243.08055	2.2
244.08774	1.2
245.09625	6.7
246.06776	1.8
246.10416	9.6
247.07558	8.5
247.11168	1.3
248.08331	0.6
248.11958	0.4
249.05360	0.5
249.09122	2.0
251.10713	1.3
257.06076	0.2
257.09543	0.3
258.06769	1.1
259.07553	6.7
260.08316	6.6
261.05606	0.7
261.09113	10.7
262.06329	2.0
262.09900	7.0
262.12729	0.3
263.07028	2.2
263.10550	0.4
264.11386	0.2
265.11945	0.2
267.06421	0.9
271.07605	0.6
272.08347	2.7
273.09106	12.5
274.06342	1.9
274.09875	8.7
275.07047	4.8
275.10617	2.3
276.07822	2.3
276.11420	0.8
277.08633	5.6
277.12250	9.8
279.06903	0.2
279.10449	0.3
279.13815	0.6
282.08868	1.7
287.07135	1.1
287.10114	0.2
288.07809	6.9
288.11105	0.4
289.08588	30.8
290.05737	2.1
290.09363	6.2
291.06552	1.6
291.10147	1.2
292.07269	0.7
292.10977	0.6
301.08502	0.2
302.09311	0.5
303.10156	27.4
304.10931	41.3
305.08093	12.5
305.11728	15.9
306.08893	3.3
306.12283	0.4
307.09702	2.4
307.13202	0.3
318.08832	0.2
319.09613	4.4
320.10431	14.2
333.11227	0.3
335.12769	100.0
336.13165	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
65.03950	3.7
67.05515	3.9
69.03448	0.8
69.07072	100.0
69.39874	0.6
69.91383	1.5
79.05494	1.4
80.05016	1.0
81.03410	0.9
81.07063	6.0
83.01361	0.6
91.04237	0.8
91.05494	0.9
92.04983	3.3
93.07039	1.6
94.06580	4.1
95.04990	1.2
96.08142	0.7
97.06536	17.5
103.79267	0.5
105.07026	0.7
108.04511	1.0
108.08115	0.6
108.12031	0.6
109.02884	1.2
109.06510	0.8
119.03715	0.8
120.04444	0.9
121.05230	0.9
121.06524	1.0
122.06033	7.6
124.07584	1.8
125.05978	1.2
126.05505	0.5
128.06303	0.7
137.05988	4.2
138.05521	5.8
140.07085	8.1
144.08101	1.9
145.08893	2.1
145.10136	1.0
146.09654	4.4
147.06837	0.7
148.03928	5.2
148.07738	0.5
150.05516	78.1
152.03445	0.7
152.07062	0.8
157.08920	3.1
158.09703	1.2
159.10507	1.2
160.07642	1.1
160.11247	1.3
161.08394	4.0
162.09146	2.3
164.03484	1.0
165.04272	1.3
166.05014	28.9
167.07277	0.8
168.06581	1.4
171.06876	0.8
172.07626	1.8
172.11234	5.0
173.08400	1.8
174.09148	2.0
174.12796	6.7
176.03416	7.8
178.05009	2.3
182.04512	0.8
182.09622	0.7
185.08409	2.1
186.05455	0.6
186.07620	1.4
186.09149	0.7
188.10750	1.8
190.08661	0.8
190.12312	3.6
190.93922	0.6
192.02994	1.2
194.04478	4.8
198.07727	1.2
198.09352	1.2
199.06366	1.0
200.07098	1.0
200.10742	6.6
202.12262	8.5
206.11754	0.8
213.08080	0.6
213.10268	1.3
216.10181	4.0
218.08315	1.3
218.11765	29.3
226.08612	1.7
227.11906	1.1
228.10225	16.7
229.13284	1.5
234.11317	3.1
243.11327	1.6
244.09789	1.6
245.12967	1.8
246.11273	26.9
253.09677	0.7
254.08250	0.8
255.11369	1.4
256.09680	1.4
257.09137	0.9
261.08746	1.3
261.12354	0.9
269.09445	0.9
271.07819	0.8
271.10770	4.0
272.09204	4.0
273.12393	2.5
274.10724	3.5
287.10278	7.8
289.11862	11.1
290.10233	2.4
291.13416	1.0
299.10266	6.8
317.11349	30.0
318.09656	0.9
335.12393	32.5
335.20340	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1278
Annotation	5-Methoxy-2,2-dimethyl-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
55.01859	0.2
63.88412	0.2
67.60501	0.2
70.05412	1.0
72.08167	1.0
75.04488	1.7
79.05437	0.3
88.07602	0.6
89.03905	0.3
91.05482	0.4
98.20860	0.3
109.10083	0.2
135.04385	0.7
147.04375	0.8
149.05963	0.2
151.07513	0.6
159.04346	0.3
161.05943	0.5
169.06444	0.3
181.06503	0.4
185.06000	0.3
187.07503	0.3
189.06972	0.5
190.07771	0.4
191.08485	0.8
197.05998	0.5
199.07535	3.4
202.07762	3.3
203.08562	5.3
204.09273	0.5
205.06412	0.6
205.10057	0.5
206.07269	0.3
207.07974	0.3
209.05969	0.3
213.07040	0.4
213.09109	0.9
215.08597	3.4
216.09328	0.9
217.06528	0.3
217.10155	1.8
218.07359	1.1
219.08083	5.2
221.09467	0.4
222.06601	0.2
229.06477	0.4
230.07269	2.0
231.08057	9.9
232.08817	1.5
233.05969	0.6
233.09589	3.3
234.06714	0.5
234.10365	1.2
235.07509	0.8
239.06998	0.8
242.07234	0.6
242.24756	0.3
243.08015	2.0
244.08794	0.8
245.05891	0.3
245.09616	5.8
246.06802	1.9
246.10422	9.2
247.07570	7.7
247.11090	1.1
248.08275	0.6
249.05403	0.5
249.09116	1.6
251.10623	1.2
258.06720	1.0
259.07578	5.7
260.08347	5.5
261.05499	0.6
261.09109	9.6
262.06299	1.5
262.09872	6.2
263.07010	2.1
263.10434	0.3
264.11545	0.4
265.08316	0.3
265.11993	0.2
267.06580	0.8
271.07608	0.8
272.08279	2.7
273.09097	12.8
274.06323	1.8
274.09869	8.1
275.06998	4.3
275.10583	2.2
276.07809	1.8
276.11404	1.0
277.05450	0.2
277.08615	5.1
277.12228	10.1
279.06744	0.4
279.10239	0.4
279.13651	0.4
282.08896	1.6
287.07086	0.9
288.07791	5.5
289.08597	27.9
290.05734	2.0
290.09335	5.9
291.06534	1.1
291.10080	0.9
292.07217	0.8
292.10736	0.6
301.08719	0.3
302.09256	0.5
303.10162	27.4
304.10947	39.9
305.08057	12.6
305.11707	15.4
306.08923	2.8
306.12057	0.2
307.09802	2.2
307.13153	0.5
319.06122	0.4
319.09656	4.6
320.10425	14.5
321.10696	0.2
333.11035	0.3
334.29483	1.2
335.12784	100.0
335.29727	1.7
336.13327	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0741
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
69.42368	20.2
69.42773	6.3
96.51734	2.6
113.89190	3.4
176.98453	2.6
178.20714	3.6
203.03967	3.5
287.84729	3.8
335.07425	100.0
335.11081	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.01897	0.6
57.07066	1.6
58.06591	0.6
58.35445	0.6
64.73605	0.6
65.03976	3.5
67.05516	5.4
69.07074	100.0
70.02997	1.2
70.03349	2.9
70.06587	1.2
71.05014	0.8
72.08158	0.7
79.05530	2.1
80.05015	1.5
81.03436	1.3
81.05807	0.9
81.07060	3.6
84.08136	1.1
86.09720	1.6
88.04002	0.9
90.98642	0.6
91.05487	1.4
92.05022	4.6
93.05766	0.7
93.07055	1.9
94.06583	4.5
95.04984	1.8
95.08622	1.0
96.08144	1.2
97.06542	17.4
105.07060	0.9
106.06532	0.7
106.24078	0.6
107.03678	0.8
108.04494	1.9
108.08166	0.6
109.06551	0.8
109.10114	0.7
118.39226	0.7
119.03662	0.8
120.04493	1.5
120.08108	0.7
121.05254	1.4
122.06049	9.6
124.07601	2.4
125.05978	1.5
127.03954	0.8
130.06551	1.5
132.04480	0.8
132.08130	0.9
134.05991	1.0
136.07568	0.9
137.05994	3.3
138.05548	5.2
140.07059	7.1
141.07854	0.7
144.08067	1.2
145.08913	1.4
145.10054	0.9
146.09671	2.1
147.06825	0.9
148.03975	3.5
150.05516	91.7
151.05905	0.8
152.03416	1.3
157.08850	1.7
158.06068	1.1
158.09705	1.2
159.10451	0.7
160.07565	1.5
160.11086	0.8
161.08354	2.7
161.09689	0.6
162.09149	1.8
165.04224	0.8
166.05013	31.3
168.06558	2.3
171.11755	0.7
172.07578	1.3
172.11226	2.3
173.08369	1.5
173.13240	0.8
174.09210	1.3
174.12825	3.5
176.03441	8.2
178.04987	1.9
185.08397	1.3
186.07602	1.4
188.10735	1.6
190.12303	3.4
194.04514	4.8
198.07887	1.9
198.09453	0.9
200.10735	5.8
202.08646	0.9
202.12299	4.9
213.10204	3.1
213.12383	0.7
215.11891	0.8
216.10297	3.5
218.08298	1.0
218.11777	16.8
222.09615	0.9
225.10332	1.6
226.07352	2.4
227.11801	1.3
228.10236	9.6
229.13272	0.8
234.11234	2.3
241.09645	1.7
243.11319	2.9
244.09850	1.4
245.12962	1.1
246.11279	13.3
246.60010	0.6
253.09596	0.8
254.08173	1.0
255.11275	1.5
256.09714	1.2
257.09143	1.6
261.12296	0.9
269.09186	1.9
271.10825	5.8
272.09018	1.5
273.09503	0.9
273.12363	2.4
274.10590	1.9
287.10284	35.3
289.08749	1.0
289.11777	6.1
290.10016	1.3
291.13431	0.8
299.10327	7.3
317.11328	32.8
318.09521	0.7
335.08694	1.1
335.12448	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	335.0742
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
50.62869	2.9
56.96569	25.9
59.84542	3.2
61.02919	8.6
69.88370	15.9
70.06593	5.5
70.98123	5.8
84.08147	10.2
84.96043	5.7
96.53525	3.1
98.97599	42.3
100.99145	8.1
101.00879	9.0
110.97585	14.4
112.99107	7.7
116.07076	7.3
116.98627	11.1
119.01886	3.9
123.05544	11.6
124.95538	7.3
128.98615	14.5
130.08658	4.3
131.00211	6.4
131.01912	3.8
140.98639	3.6
142.96513	4.7
143.00157	7.7
143.01923	12.5
145.03487	4.0
146.98625	3.4
146.99701	13.2
155.01920	4.3
157.03500	3.4
158.99638	7.4
161.01355	4.0
161.03015	8.1
162.00090	4.1
165.00670	9.6
169.03535	4.8
170.96045	4.5
172.97624	6.7
173.03027	7.2
174.99234	5.6
184.97586	4.0
185.02986	10.0
190.98668	7.2
201.00768	3.3
207.01712	6.7
213.53661	4.1
214.98698	9.3
215.04044	4.8
217.30507	3.2
218.70938	3.3
219.01802	17.0
232.99739	7.2
237.02756	15.4
242.98157	5.0
245.05092	4.9
260.99310	16.9
275.06403	3.3
279.00650	5.1
293.05518	9.9
335.07422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.0
55.01867	4.1
55.05515	6.4
57.03434	3.8
57.07071	5.8
58.09704	1.2
59.31038	1.1
65.03907	1.9
67.05180	1.7
67.05508	23.0
69.03425	1.5
69.07078	9.9
70.00288	4.7
71.08640	10.9
72.04523	70.7
79.05500	12.8
81.07066	26.8
83.04998	2.7
83.08614	2.9
85.06573	2.6
88.07607	1.8
91.05482	9.3
93.07051	18.7
95.04978	15.9
95.08618	25.5
97.06542	3.8
98.09688	1.7
99.08085	4.8
100.07603	2.6
105.07061	9.2
107.08607	13.8
109.06527	21.4
109.10169	8.2
114.09182	16.9
117.07015	2.2
118.64366	1.3
119.08578	9.1
121.06534	4.2
121.10170	7.4
123.08128	2.1
123.11700	2.9
128.10744	7.3
131.08575	6.4
133.10120	8.5
135.08043	3.6
135.11707	1.2
142.12294	4.1
145.10123	2.3
147.11711	4.7
149.13260	5.4
151.11205	1.2
154.12267	1.4
156.13846	3.6
163.11209	2.5
163.14867	2.4
165.12769	100.0
166.12236	1.8
168.13846	1.7
173.13252	8.3
175.11211	4.3
175.14746	1.3
179.14304	2.7
180.13803	3.9
182.15431	14.0
183.11731	1.9
184.13318	1.9
184.17015	1.9
191.14313	9.0
194.15479	2.9
195.64799	1.3
201.12750	3.8
212.16444	11.9
220.17006	12.3
229.19547	4.1
236.20110	37.7
238.21588	1.3
253.19476	1.9
261.22125	1.9
271.20688	8.3
278.21173	1.5
281.74683	1.2
289.21735	9.5
304.10925	2.7
316.26480	9.0
334.27426	79.4
335.12903	4.1
335.25784	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	334.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
54.42900	0.6
55.01862	2.8
55.05519	4.4
57.03444	3.8
57.07071	1.9
63.36878	0.7
65.03938	2.5
66.04733	7.4
67.05512	34.7
69.03428	1.2
69.07073	7.2
70.33149	1.1
72.08153	2.5
79.05066	1.1
79.05502	14.7
81.03430	5.4
81.06592	0.9
81.07062	17.9
83.04963	1.2
85.06527	1.4
90.09187	1.0
91.05490	20.5
93.07061	12.3
94.04197	19.1
95.04978	13.1
95.08609	12.4
97.06536	1.5
98.98434	0.7
103.05472	0.8
105.06413	0.5
105.07037	13.0
107.04974	8.7
107.08616	6.9
109.06518	1.4
109.10168	5.5
114.09180	4.6
115.05470	1.4
115.07573	1.4
117.07030	5.2
119.08593	19.0
120.08102	0.6
121.06506	6.2
121.10157	3.4
122.06056	0.7
123.06816	1.2
123.08059	3.0
126.09159	2.0
128.06224	2.5
129.07022	4.6
131.08583	21.1
132.10175	0.9
133.06506	3.5
133.10141	8.6
135.08054	8.8
135.11696	1.8
137.08348	2.7
137.09473	0.7
139.09918	2.1
142.07719	1.1
143.08565	6.6
145.10152	2.9
147.08064	5.3
147.11699	2.3
149.09560	0.7
153.15239	0.6
156.09270	0.9
157.10086	3.5
159.11691	3.1
161.09608	2.2
161.13309	1.6
164.10728	18.2
165.11513	48.7
166.12048	0.7
170.10802	1.0
173.13062	0.6
175.14853	4.9
185.13293	5.3
192.99162	0.6
197.98007	0.7
203.14410	3.7
237.58905	0.7
246.18504	1.6
274.21674	100.0
275.22125	1.2
292.22754	8.7
296.66437	0.6
315.46985	0.7
326.51782	0.8
334.11740	1.1
334.20361	0.8
334.23935	5.8
335.25818	7.1
359.18033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01872	1.9
55.05507	4.4
57.03443	2.7
57.07082	2.4
57.72181	1.0
60.86235	0.9
65.03931	1.8
66.04728	8.1
67.05180	1.8
67.05509	27.1
69.07074	7.2
69.52357	1.1
70.06596	1.3
71.07517	1.4
72.08164	1.7
79.05499	13.7
81.03432	5.4
81.07063	16.5
83.04984	1.7
85.06529	1.5
91.05488	23.7
91.06025	2.0
92.05865	1.0
93.07044	9.8
94.04200	16.4
95.04977	15.8
95.08611	9.6
97.06526	1.7
105.07045	21.1
107.04971	5.8
107.08579	7.5
109.06513	2.0
109.10164	4.7
114.09166	2.7
115.05464	1.6
117.07019	6.6
119.08591	23.3
121.06515	6.8
121.10162	2.7
123.06768	1.7
123.08074	2.8
126.09174	1.8
128.06271	1.9
129.07021	8.0
131.08578	26.4
132.10239	1.3
133.06505	10.0
133.10132	6.6
135.08049	7.6
135.11676	1.8
137.08377	3.2
142.07796	1.3
143.06076	1.1
143.08569	6.1
145.10149	2.6
147.08070	6.4
147.11696	3.8
150.09146	1.2
156.09360	0.9
157.10138	5.0
159.11713	3.9
161.05992	12.5
161.09668	1.6
161.13315	1.1
164.10728	17.1
165.11513	50.9
175.14888	5.4
182.60785	1.1
185.13268	6.9
193.08640	7.3
203.14365	4.1
274.21674	100.0
292.22763	8.6
334.20453	1.1
334.23877	7.4
335.25809	6.7
336.87970	1.0
340.69598	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.8
55.05515	9.8
55.82964	1.5
56.96546	2.7
57.03436	2.1
57.07064	5.3
65.59412	1.3
67.05502	12.7
67.74335	1.6
69.07069	14.8
70.06602	100.0
71.08639	7.5
72.04524	12.7
73.32722	1.6
79.05492	7.4
81.07065	19.1
83.04990	28.4
83.08614	2.1
91.05480	6.0
93.07046	11.9
95.04977	13.9
95.08618	17.1
97.06557	2.6
97.74007	1.7
98.09715	1.8
98.21532	4.2
98.98457	2.7
99.08080	4.6
100.07571	1.8
100.89594	1.5
105.07054	8.6
107.08622	9.8
109.06535	18.0
109.10142	4.2
111.11744	2.1
114.09138	5.9
119.08569	6.1
121.06513	2.8
121.10075	2.2
123.08109	2.0
123.11684	1.7
128.10736	3.9
128.98656	1.6
131.08546	5.0
133.10127	5.4
135.08078	4.0
138.12781	2.1
144.10428	1.6
147.11694	2.7
149.13272	2.4
149.26138	1.7
153.12764	2.0
159.11656	1.9
161.13269	2.4
163.14825	2.2
165.12775	87.8
173.13216	6.3
175.11154	3.9
177.12814	2.1
180.13756	1.9
182.15433	8.9
184.13286	4.4
191.14322	9.9
201.12732	4.7
212.16515	9.5
220.17043	9.7
236.20128	20.8
245.56445	1.6
271.20660	7.9
278.73843	1.6
289.08276	1.7
289.21680	12.1
303.10077	2.7
304.10971	3.3
316.16718	6.3
316.26425	5.5
334.17642	11.4
334.27374	63.9
334.31039	16.3
335.12860	5.5
357.19379	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	334.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.2
55.05497	0.2
57.07076	0.5
57.44757	0.2
65.03925	0.2
67.05508	1.0
69.07057	0.3
69.13142	0.1
69.65241	1.0
70.03450	0.2
71.08640	0.3
75.31532	0.2
77.03923	0.4
79.05499	2.0
81.07067	2.5
82.80205	0.1
89.06068	0.2
91.05486	3.9
93.07057	0.6
95.04979	0.6
95.08618	2.7
95.71584	0.2
98.10294	0.2
104.04990	0.2
105.03384	0.4
105.04554	0.2
105.07029	0.2
106.04185	0.3
106.06566	6.9
109.06527	0.7
113.05991	0.2
116.04218	0.3
116.04996	5.0
119.06093	0.3
123.11712	1.6
127.07566	0.1
132.04446	0.9
134.06027	100.0
135.06369	0.5
150.05482	0.4
151.09814	0.2
151.11154	0.5
152.07071	1.6
155.92900	0.2
157.07610	0.2
190.08652	1.0
191.97820	0.2
274.18109	0.2
302.14200	0.3
302.17529	4.8
334.20151	5.9
334.24210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65548	2.0
55.05505	4.2
58.06604	3.4
59.79301	1.9
67.05497	8.2
69.07041	2.4
69.28756	7.7
69.29183	8.4
70.06593	2.3
71.08613	2.0
72.04517	6.0
72.08166	18.6
79.05498	10.3
81.07049	12.8
83.36903	2.2
90.09200	10.1
91.05480	19.1
93.07061	13.7
95.04980	3.5
95.08621	9.4
97.46923	1.9
98.09699	3.4
98.21465	3.4
98.98471	2.8
105.07041	22.1
107.08633	7.9
109.06544	3.4
109.10180	2.4
114.09216	4.1
115.07573	8.2
117.07056	6.6
119.08591	33.9
126.09182	13.3
129.06946	2.2
131.08572	6.3
132.10202	7.9
133.10164	10.8
135.08061	2.3
143.08562	7.4
147.11787	4.3
157.10188	3.7
159.11740	8.5
161.13275	24.7
165.12721	14.2
175.11157	2.3
175.14833	5.6
185.13258	13.9
203.14314	19.0
220.17078	2.5
232.17041	3.1
236.20172	6.2
274.21667	100.0
289.21786	2.2
292.22763	9.2
334.23651	90.6
334.27454	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	334.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.2
55.05519	6.7
56.05048	1.3
56.96561	1.2
57.03440	1.8
58.06596	2.3
60.04535	1.4
61.02916	2.3
69.03441	7.3
70.06599	4.7
71.05000	3.1
71.36890	0.8
71.51385	0.7
72.08163	3.6
73.02934	1.6
74.06088	1.0
79.05502	2.6
81.03426	3.0
81.07067	16.2
82.30229	1.0
83.08643	4.5
84.04518	5.5
84.08147	3.9
85.01153	5.1
85.02432	1.6
85.02916	16.5
85.06557	4.8
86.09713	4.8
87.04462	1.1
91.05495	2.3
95.04982	0.9
97.02883	4.6
97.06558	1.0
98.06071	1.8
98.09734	2.9
98.97605	1.6
98.98465	1.9
99.08104	1.7
102.03779	5.9
102.05562	4.3
107.04894	0.9
108.08141	3.7
109.02887	1.7
109.06536	15.2
110.06046	1.3
111.04498	1.0
112.02221	1.6
116.01665	1.2
121.06467	1.2
124.07650	1.5
126.05550	1.3
126.09169	44.9
127.03913	3.7
127.07569	17.8
129.10249	1.3
130.05070	2.0
136.07596	2.4
137.05972	2.8
145.04955	2.7
147.04410	2.2
154.08652	65.4
155.07054	34.0
156.06541	2.2
158.02721	2.3
167.07076	1.4
168.07422	0.9
172.09708	100.0
205.06470	4.8
232.10162	1.1
258.08023	2.5
276.09036	2.7
276.40399	1.0
293.64761	1.0
316.13885	1.2
316.17899	1.0
334.08951	17.2
334.12701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2791
Annotation	Ethyl arachidonate
Peak:m/z	Relative Intensity
51.62432	1.1
55.05515	4.8
57.07062	2.3
59.04995	1.2
67.05509	7.0
69.07062	5.1
79.05503	1.9
81.07057	10.9
83.05037	1.3
83.08644	1.7
85.06546	2.1
89.06060	2.2
93.07053	3.3
95.08607	13.2
98.98477	3.8
105.07027	3.3
107.08602	4.8
109.06529	8.2
109.10207	5.5
111.04451	1.3
111.08099	1.5
119.08598	3.4
121.10175	2.6
123.08085	53.6
133.10133	2.0
135.08081	3.8
137.09642	3.2
137.13216	1.1
142.05116	1.1
147.11644	1.7
151.09787	1.6
152.67924	1.1
179.14325	21.0
215.32072	1.4
231.26588	1.3
251.53386	1.1
272.10873	1.3
277.21652	11.6
333.27914	100.0
334.28104	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1322
Annotation	Furametpyr
Peak:m/z	Relative Intensity
55.01868	1.1
55.05525	4.9
57.03442	16.1
58.06598	2.5
67.05503	2.1
69.03436	1.9
70.06589	1.0
70.60215	1.6
70.60584	1.8
71.05011	1.0
79.05501	2.3
81.07079	1.2
83.04998	4.8
84.04516	2.4
85.02901	1.4
85.06541	2.5
86.06078	1.3
86.09708	1.8
91.05471	0.8
93.07056	4.4
95.04969	5.5
95.08630	2.1
97.06522	1.2
107.08581	2.0
109.06523	8.9
111.04367	0.8
111.08104	2.4
113.06007	3.1
118.06596	1.0
119.06304	0.7
121.06536	2.9
121.10162	2.3
123.08096	9.9
125.06007	10.4
131.08632	1.5
135.08112	5.2
139.07555	1.3
144.08128	0.9
146.06023	3.6
149.09654	7.7
152.66672	0.9
153.09122	26.8
154.08635	1.6
154.13094	1.3
161.09431	0.9
167.07065	22.6
167.10698	100.0
177.09187	1.6
188.07074	5.1
195.10205	39.1
202.89392	1.0
205.09796	1.0
213.11249	75.5
313.36624	0.8
316.12210	2.4
334.14325	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2427
Annotation	CHEBI:68863
Peak:m/z	Relative Intensity
53.99894	0.3
55.01854	0.4
55.05512	0.5
57.06840	0.3
57.07086	4.1
59.04998	0.7
67.05507	1.3
69.03436	0.4
69.06736	0.5
69.07083	7.7
69.42951	0.6
69.43353	2.0
71.08655	1.7
79.05496	1.5
81.07070	8.9
83.01340	0.5
83.04982	0.5
83.08630	0.4
85.10191	1.2
89.06046	5.7
91.05488	1.1
93.07072	2.3
95.04967	0.5
95.08613	2.1
97.06532	0.7
98.20827	0.7
98.98460	1.7
99.00813	0.4
105.07024	1.6
107.04967	1.4
107.08624	2.6
109.06531	2.4
109.10168	1.6
111.04430	0.8
113.02382	2.4
119.08585	1.3
121.06482	0.8
121.10154	1.1
123.04443	1.0
123.08118	0.6
123.11731	4.8
125.06013	1.1
133.06490	0.7
133.08644	0.9
134.11311	0.4
135.04434	4.9
135.08035	0.4
135.11703	1.5
137.09616	0.7
137.13251	1.0
139.03917	1.8
141.05502	1.3
145.10152	2.7
151.09677	4.3
153.05492	8.9
155.10683	0.8
163.11223	2.1
191.10788	0.6
191.32024	0.3
197.11769	6.7
209.11765	59.3
223.13310	7.7
235.13347	0.8
237.14864	0.4
249.14940	0.9
251.16508	2.0
257.31519	0.4
263.16479	0.5
265.18039	0.9
277.17960	2.8
291.19577	0.6
333.24280	100.0
334.24576	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2425
Annotation	CHEBI:68863
Peak:m/z	Relative Intensity
52.02343	0.6
53.03959	0.7
53.32423	0.6
55.05510	1.2
55.49958	0.5
56.24716	0.5
57.07080	2.7
58.06592	1.4
67.05495	2.1
69.03419	0.8
69.06728	0.7
69.07077	6.9
71.53626	1.0
79.05498	2.4
81.07066	9.3
83.08595	0.6
91.05491	13.2
93.07037	2.9
94.43304	0.6
95.04991	0.8
95.08608	2.9
97.06514	1.4
97.72339	0.5
98.98470	6.0
99.00833	0.9
105.07033	2.0
107.04953	3.9
107.08584	3.2
109.06506	1.6
109.10198	0.6
113.02407	2.8
117.07006	1.0
119.08595	9.6
121.10133	1.1
123.04476	0.6
123.08093	0.6
123.11720	5.0
125.05986	0.9
129.07028	0.6
132.05710	1.5
135.04439	4.8
135.11682	1.2
137.09689	0.7
137.13318	0.7
139.03889	1.9
141.05449	0.9
141.07216	0.5
145.06493	1.1
145.10159	3.0
147.08066	12.7
153.05476	7.7
153.46208	0.5
155.10719	0.8
159.11780	0.8
163.11148	1.8
176.98955	1.0
179.14389	1.1
191.10832	0.7
197.11731	6.6
209.11746	58.6
221.25522	0.6
223.13254	5.9
232.03482	0.6
235.13379	0.8
237.14839	0.7
249.09016	0.6
249.14879	1.0
250.14766	0.6
251.16426	1.6
265.17923	1.1
267.68567	0.6
277.17981	2.7
291.19446	0.9
319.15652	0.6
333.24252	100.0
334.24619	1.6
351.83679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07082	0.8
69.99928	2.1
79.05469	0.6
80.47371	0.5
80.94828	0.5
81.07070	0.7
85.88409	0.5
93.07035	1.4
95.04948	0.7
97.06500	0.6
98.98467	8.3
100.98898	0.9
105.07032	0.8
107.08622	0.5
109.02875	0.6
109.10172	0.8
153.12730	0.7
176.98961	0.9
195.09921	1.4
333.20374	100.0
334.20789	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86108	0.5
55.01878	0.5
55.05509	0.6
67.05493	1.0
69.07047	0.5
70.71359	0.5
79.05537	0.8
81.07069	0.7
91.05458	0.9
93.07055	0.6
98.98479	8.5
100.07623	0.5
105.07038	1.4
107.08611	1.3
109.10123	1.0
133.10085	0.5
176.98955	1.3
181.91858	0.5
235.13165	1.2
251.12549	0.7
279.17688	0.5
315.19287	0.6
333.20395	100.0
334.20645	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2426
Annotation	CHEBI:68863
Peak:m/z	Relative Intensity
55.01853	0.4
55.05505	0.6
56.07200	0.3
57.07078	2.5
59.05008	0.5
61.49604	0.3
67.05496	1.3
69.03433	0.4
69.07075	6.8
69.70429	1.7
71.08613	0.7
72.74714	0.3
74.04874	0.3
79.05503	1.8
81.07064	8.5
83.08627	0.4
89.06012	0.7
91.05483	1.0
93.03391	0.3
93.07030	2.2
95.01285	0.3
95.04985	0.8
95.08622	1.9
97.06519	0.8
98.20828	0.4
98.98449	1.0
99.00830	0.6
99.08078	0.4
105.07064	2.3
107.04935	1.1
107.08607	2.7
109.02854	0.3
109.06533	3.4
109.10151	1.3
111.04446	0.5
113.02376	2.3
117.59350	0.3
119.08572	1.0
121.06506	1.2
121.10129	1.3
123.04433	0.5
123.08073	0.8
123.11729	4.5
125.06002	1.0
132.91649	0.3
133.06454	0.8
133.10074	0.4
135.04416	4.9
135.11703	0.9
137.09598	0.7
137.13275	0.9
139.03952	1.7
141.05449	0.9
145.10136	2.3
149.06006	0.6
151.09634	0.5
153.05472	8.4
155.10701	1.0
163.11201	1.8
173.09581	0.4
174.03287	0.3
179.14374	0.4
191.10709	0.5
197.10127	0.6
197.11766	5.8
199.84814	0.4
208.10538	0.4
209.11748	63.4
210.12018	0.9
223.13303	7.1
235.13286	1.0
237.14838	1.3
249.14899	1.5
251.16350	2.3
265.18008	0.9
277.18085	2.6
291.19543	0.8
333.24246	100.0
334.24536	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1912
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
53.03926	1.1
55.05510	3.0
55.62965	1.1
56.20496	1.2
59.04995	1.8
59.99271	1.1
63.59753	1.1
67.05502	2.2
69.03415	1.9
69.07064	3.7
69.66384	2.1
69.66788	4.4
71.05000	16.2
73.06563	5.8
73.10374	1.0
77.63668	1.1
79.05508	5.8
81.03405	1.2
81.07068	21.8
83.08615	1.1
85.02906	2.3
91.05488	2.7
93.07056	19.0
95.04984	1.3
95.08614	3.2
97.06521	2.6
98.98464	5.0
105.06998	2.1
107.08603	12.5
109.02888	1.4
109.10188	2.3
119.08564	1.4
123.04327	1.1
133.10052	1.3
135.11719	22.9
137.06015	11.4
148.37669	1.1
153.12766	100.0
167.07036	12.5
200.90201	1.0
207.38808	1.2
225.05440	1.1
244.85347	1.2
288.09802	2.8
333.07562	3.2
333.22403	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	333.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01876	2.1
55.05518	62.0
56.05029	2.4
57.03440	2.9
57.07071	6.4
58.06603	2.9
58.99585	5.1
61.02938	3.0
67.05503	5.3
67.65955	1.3
68.05031	1.7
68.99804	1.4
69.03443	10.5
69.07074	8.0
70.06601	7.0
70.87141	1.3
71.05005	10.2
71.51820	2.4
72.08164	8.7
73.02929	2.7
73.08467	1.7
74.06063	3.3
79.05512	6.7
81.03432	2.9
81.07063	13.5
82.47549	1.5
83.05013	2.8
83.06115	23.0
83.08629	78.1
84.04518	6.4
84.08163	12.9
85.02915	22.6
85.06541	3.4
86.06049	2.0
86.09722	10.9
86.99050	5.6
87.04471	3.8
88.04003	1.5
89.97444	1.3
90.96422	1.3
91.05517	6.8
93.07052	13.6
94.06586	3.3
95.04958	3.6
95.08616	7.2
96.04501	2.3
96.08135	1.9
97.02895	4.9
97.06551	3.0
98.06039	2.4
98.98473	22.6
99.06409	2.0
101.09670	10.8
103.05492	2.4
105.00109	6.3
105.07036	9.0
107.04978	3.0
107.08611	13.5
108.08129	2.7
109.02908	5.7
109.06522	3.6
109.07655	1.7
109.10162	3.6
110.07159	3.4
115.03998	1.7
116.07085	2.4
117.06970	4.5
119.08591	9.5
120.08121	5.0
121.06529	3.5
121.10176	3.0
123.04466	2.6
124.07613	3.3
127.03922	5.8
128.06216	2.1
129.06599	33.8
129.10254	5.3
130.05038	1.6
130.07771	1.6
131.08603	5.9
133.04991	3.4
133.10133	1.6
134.06041	1.7
135.08113	2.0
135.11671	9.2
136.07628	2.5
137.06010	11.4
137.13261	1.8
141.04865	1.7
143.08572	2.2
145.04993	2.6
145.10150	3.9
146.06024	3.1
147.04399	1.5
147.08078	8.0
147.09087	1.5
149.09627	2.4
151.11221	1.8
152.07088	6.6
153.07027	2.1
153.08997	2.0
153.12762	19.8
155.08597	5.7
157.06529	2.4
159.08231	3.4
159.11702	2.8
161.06078	1.6
161.09476	1.8
161.82773	1.3
165.05556	1.6
165.06975	3.7
165.12782	10.7
167.07072	9.6
171.08089	1.5
171.10170	3.1
171.11626	2.0
171.13852	1.8
173.06000	2.9
173.09674	4.3
173.13037	3.8
174.13242	1.4
175.07523	2.0
176.99007	3.0
177.05472	1.6
177.12708	4.0
183.08127	5.5
187.07773	3.0
188.07066	4.3
189.12724	3.8
191.10579	1.9
201.09177	5.2
202.12762	2.1
205.08926	12.1
211.07584	6.2
213.10390	2.3
219.13834	2.8
224.07951	2.0
227.11897	5.8
228.12598	1.9
229.08594	8.7
232.64267	1.6
241.09750	1.7
253.16313	2.9
261.14865	2.9
269.09448	1.4
279.16025	2.6
287.14038	6.1
289.18460	6.1
297.17194	2.4
315.09564	2.2
315.13474	5.3
315.18198	5.4
333.11215	4.0
333.14844	100.0
333.18903	3.6
346.93756	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54131	0.5
62.75916	0.6
66.81567	0.7
69.73158	3.1
70.06596	0.6
79.05500	1.2
81.07076	0.7
83.04995	1.1
91.05453	0.6
93.07076	0.8
98.20731	0.6
98.98476	19.4
98.99123	1.0
100.98873	1.4
105.07017	1.1
109.02893	0.8
119.08589	0.8
120.01250	0.6
128.13361	0.5
145.43730	0.5
149.02403	1.0
176.98912	2.4
193.05075	0.7
195.09950	1.8
279.43353	0.6
333.20374	100.0
334.20633	1.6
342.11661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1911
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
52.78845	0.6
53.03947	0.7
55.05511	1.9
57.03437	0.6
59.04995	2.4
67.05508	1.7
69.03420	1.5
69.07069	2.3
69.26935	2.0
69.27364	4.6
70.06599	2.0
71.05000	16.2
73.06567	4.5
76.21416	0.6
77.03908	0.9
78.12692	0.7
79.05502	6.6
81.03434	1.2
81.07066	25.0
83.04974	0.7
83.08633	1.2
85.02898	3.4
85.06551	1.1
86.09709	0.9
87.37740	0.7
91.05511	4.7
93.07060	16.0
95.08607	3.6
97.02921	0.6
97.06541	2.0
98.21522	1.4
98.98470	3.1
100.07645	1.0
105.07061	1.6
107.08611	13.7
108.08127	0.9
108.08950	0.7
109.02877	1.0
109.10184	2.1
111.08096	0.9
119.08620	1.2
120.08140	1.2
132.08929	0.9
133.10130	1.3
134.10468	1.0
135.11711	26.5
137.05989	7.2
142.66565	0.6
153.12767	100.0
154.13145	0.6
158.43474	0.8
164.07129	1.2
165.06984	0.7
167.07080	9.2
168.10266	2.0
169.10556	1.0
174.13557	1.8
178.08733	0.8
183.26447	0.7
196.07033	0.8
218.16316	0.8
227.11655	0.9
249.63113	0.7
282.51324	0.8
287.13846	1.6
288.09991	1.6
315.13385	2.9
333.07388	1.3
333.14276	1.0
333.22586	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1911
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
50.24446	4.7
53.03941	6.9
53.86742	4.1
55.01864	18.4
55.05515	23.7
55.54824	4.7
57.03437	11.6
59.04991	4.5
61.02921	6.4
67.05514	9.2
69.03442	31.5
69.07077	31.9
70.06585	17.1
70.07727	15.7
71.05008	47.0
72.08157	21.0
73.02907	11.1
79.05515	26.1
81.03434	12.4
81.07059	54.1
83.08614	8.4
84.04510	11.4
84.08143	14.7
85.02908	90.5
85.06548	8.3
86.09708	15.6
87.04440	4.9
88.45381	4.1
91.05476	17.4
93.07053	48.4
95.04963	14.4
95.08619	19.6
96.04479	5.9
96.08104	13.3
97.02926	26.2
97.06523	11.2
97.08478	9.8
98.98473	40.0
99.04469	4.8
101.07092	6.9
102.07484	4.6
103.03960	5.2
105.07046	42.2
107.04987	5.6
107.08598	64.8
109.06528	14.1
109.10168	10.8
110.07178	11.5
111.08064	7.2
115.03958	7.3
117.07016	8.5
119.08590	32.4
120.08083	7.2
121.06493	7.1
123.04416	6.5
123.05539	5.9
123.08062	9.6
124.07610	47.1
125.07955	40.1
126.96024	4.4
127.03904	11.5
128.06221	5.1
129.06912	7.8
129.10236	11.2
131.08559	18.9
133.04967	7.4
135.08096	5.3
135.11691	42.2
137.05983	52.4
137.13295	12.4
141.06969	5.0
143.08586	13.6
145.04942	13.3
145.06488	6.7
145.10149	19.0
146.06052	7.6
147.08115	27.7
147.11682	9.4
151.11143	6.2
153.09186	5.9
153.12753	100.0
155.08615	6.0
156.04759	8.2
157.05151	5.7
159.08080	12.7
159.11624	7.0
161.09590	8.7
163.11185	5.0
165.12770	39.8
167.07085	45.8
171.11761	7.7
173.09604	23.5
173.13097	20.2
174.13202	20.1
175.07518	5.5
176.98898	6.8
177.12778	10.7
183.08000	6.3
183.11687	6.2
188.14772	5.4
189.12721	13.1
191.10693	8.6
197.13240	4.7
201.12640	10.7
215.13702	4.2
219.13802	10.4
243.13794	7.0
261.14935	15.3
279.15964	14.5
287.10126	7.4
288.09766	5.6
297.16953	18.3
315.13116	4.6
315.18094	32.8
316.15448	6.0
316.36792	5.7
317.55942	5.2
333.10748	9.4
333.14465	5.2
333.19135	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	333.1908
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
52.03185	1.6
53.03950	4.6
55.01867	4.4
55.05511	4.3
57.03444	8.7
57.06880	1.4
57.07081	17.0
59.05006	9.8
60.04528	1.9
61.02934	11.9
67.05521	9.7
69.03433	29.9
69.07076	11.5
70.06596	2.8
70.07704	5.9
71.05006	9.3
71.62626	1.6
72.08150	2.2
73.02910	5.7
79.05489	3.7
81.03426	12.0
81.07053	6.3
83.04960	3.9
83.08619	3.9
84.08121	3.8
85.02913	82.7
85.06557	13.0
86.09721	11.4
87.04462	5.2
87.10045	2.7
89.78113	1.6
91.03970	5.4
91.05490	3.6
93.07034	8.6
95.04962	4.7
95.08615	55.2
97.02903	27.1
97.06534	7.9
98.98480	12.5
99.04471	7.3
99.08105	15.2
107.08566	10.9
109.02887	8.0
109.06533	8.6
109.10160	18.1
111.04420	3.8
111.08056	9.8
111.11739	2.0
113.09656	74.5
113.10449	4.0
119.08559	2.9
120.08130	1.6
121.06433	1.7
124.07521	1.8
125.09705	1.7
127.03934	16.8
127.11210	44.6
129.05516	1.8
131.08540	1.7
135.11720	17.0
136.07614	2.1
137.05981	7.7
137.13243	5.9
145.04955	17.0
146.51588	1.7
151.07608	1.8
153.12759	100.0
155.14284	10.9
164.07103	4.0
167.07068	9.6
171.13818	60.3
171.15283	3.1
173.13000	1.9
174.13284	4.6
177.12715	2.9
195.13774	2.6
206.99725	1.8
213.14806	5.1
234.72673	1.7
269.09244	3.3
270.09885	2.0
297.17026	2.8
301.11816	6.1
314.74911	1.7
315.09631	3.0
315.13016	2.3
315.20132	2.0
333.11017	3.6
333.14499	4.6
333.18890	7.6
333.22403	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1909
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
55.01863	7.5
55.05518	13.5
57.03432	8.9
57.07075	8.9
58.06617	2.9
59.04995	4.9
61.02935	4.5
67.05501	7.0
69.03429	11.3
69.07069	18.1
69.70939	2.5
71.04996	29.1
71.19736	5.6
73.02902	8.5
78.74617	2.3
79.05500	14.7
81.03421	7.8
81.07071	27.9
83.04977	5.5
84.08129	2.5
85.02442	3.5
85.02911	51.2
85.06543	8.7
91.05489	13.0
93.04499	2.6
93.07053	34.6
93.79332	2.4
95.04965	5.1
95.08617	16.8
97.02892	13.2
97.06536	14.0
98.98460	10.5
105.07031	14.2
107.08604	28.6
109.02903	7.8
109.06509	7.8
109.10152	10.4
111.08080	4.3
114.63947	2.3
115.03936	6.2
116.63537	2.6
117.07040	5.1
119.08598	18.1
121.10143	6.1
123.04417	5.7
123.08037	3.3
123.11712	8.3
126.86438	2.8
127.03916	5.9
127.11160	3.5
131.08566	7.7
133.04982	8.7
133.06442	3.9
135.11681	26.9
137.05991	4.9
137.13258	7.2
141.12753	16.1
143.08546	4.5
145.05008	4.8
145.10133	6.6
147.08069	8.3
152.00697	2.7
153.12766	100.0
155.14262	3.1
159.08041	3.9
159.11720	3.5
165.12784	26.2
167.07053	3.3
169.12448	2.7
171.13820	27.4
173.09616	9.6
173.13309	4.5
175.11218	3.6
177.12744	6.4
179.69179	2.9
189.12747	3.4
191.10619	4.1
195.99554	2.3
207.13693	3.6
219.13887	4.3
243.13927	3.4
261.14810	6.5
279.15997	6.6
293.76309	2.6
297.16882	5.7
315.18042	17.1
333.19150	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	332.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.7
56.05019	4.6
58.06575	1.8
60.04529	100.0
67.05505	11.6
69.03409	1.2
69.07078	5.5
70.06577	2.0
71.53228	1.7
72.04507	1.8
74.06074	2.0
79.05491	6.5
81.07057	11.8
82.06565	3.3
83.08600	2.5
84.08159	1.6
88.73258	1.2
89.96786	1.1
91.05470	5.9
93.07047	6.6
94.06567	2.5
95.05010	1.7
95.08608	10.4
96.04498	1.4
96.08117	1.6
97.10191	1.3
98.98467	20.2
105.07027	3.7
107.08584	3.5
108.08128	1.4
109.10152	4.2
116.07092	1.4
117.07081	1.2
119.08580	2.0
120.08096	1.1
121.06477	1.1
121.10119	2.9
121.65845	1.0
122.06807	1.1
123.11681	1.4
124.07616	1.3
124.66658	0.9
131.08580	2.2
133.10101	2.4
135.11690	1.5
137.05991	3.0
152.07071	1.3
159.11684	1.3
161.13231	1.2
167.07091	2.1
176.98936	2.0
243.06235	1.5
243.20853	1.1
258.04764	2.6
260.23816	2.0
278.24826	8.4
282.28082	1.2
286.04257	3.3
288.09909	1.9
296.25867	14.1
304.60718	1.1
314.26895	20.4
316.05508	3.3
317.06113	22.0
317.09586	1.8
332.05478	1.2
332.08472	38.4
332.12317	4.8
332.27969	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.7
56.05043	6.4
57.03440	0.9
57.07087	4.8
58.06606	0.6
60.04531	100.0
67.05511	4.8
68.05048	0.5
69.07072	4.6
70.06596	2.6
71.07452	0.8
71.08644	1.7
72.04525	1.0
74.06084	2.1
79.05500	5.3
81.07056	4.4
82.06592	0.8
83.04993	1.0
85.10202	1.1
86.06088	1.2
90.05571	0.9
91.05476	1.8
93.07063	2.0
95.05003	0.8
95.08613	4.3
96.08152	0.8
97.06542	0.6
97.10143	1.9
98.98468	3.1
105.03397	1.1
105.07039	2.1
107.05032	0.4
107.08623	2.7
109.10178	1.7
111.11742	1.0
119.08626	0.6
121.10182	0.6
123.11716	0.6
133.10146	0.5
135.11752	0.7
147.11716	2.0
149.06052	2.1
153.98671	0.4
176.04195	0.4
262.18051	0.5
266.28406	1.9
268.30090	1.3
270.27936	0.5
278.28442	2.5
279.26892	1.0
284.29514	3.0
296.29504	14.3
314.30573	19.2
316.05704	0.6
317.06177	1.8
332.08502	3.5
332.23108	2.5
332.31598	68.1
333.31863	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1338
Annotation	Catechin 5,7,4'-trimethyl ether
Peak:m/z	Relative Intensity
55.01899	0.8
55.05510	1.7
56.05026	1.4
56.96581	0.9
57.03437	1.1
58.06599	0.7
60.04540	1.0
67.05499	1.0
69.03425	1.7
69.07091	0.7
69.68324	1.6
69.68758	2.7
70.06597	7.6
72.08156	2.1
78.04723	2.3
79.05496	2.5
81.07058	3.2
82.05318	1.2
83.06100	1.2
84.08150	9.3
85.02919	2.0
85.06606	0.9
86.09716	16.1
87.10047	6.6
91.05479	2.1
93.07043	1.6
94.04202	2.8
95.04977	1.4
96.08089	0.8
97.02886	1.2
98.20768	1.4
98.98488	12.0
100.98872	1.1
102.05558	1.1
103.05489	1.0
106.04215	1.3
107.04961	0.9
109.06491	0.8
110.07175	11.6
111.04438	0.9
116.07079	0.8
119.04938	1.1
120.08086	1.2
121.02885	0.8
121.06503	0.9
122.03664	8.3
123.04443	8.0
123.05295	1.0
123.05565	0.9
123.08045	0.9
124.05278	2.0
124.07629	1.7
125.07954	0.9
129.10297	1.7
130.06540	1.1
130.08623	1.2
135.04446	1.8
136.06276	0.8
136.07581	1.5
137.05994	90.8
138.06561	0.8
147.04420	1.5
151.03906	2.7
151.07564	1.2
152.04660	1.6
153.05452	1.5
153.07048	0.8
155.08478	1.0
159.07954	0.9
159.09222	0.9
161.06006	1.9
162.10310	1.0
163.03932	3.1
163.12341	2.1
163.56779	0.8
165.07001	2.2
166.06114	1.5
167.07059	100.0
168.05862	0.8
171.10258	1.4
173.06046	1.0
176.98936	1.7
179.07089	1.1
183.08072	2.5
190.13448	1.0
199.07512	0.9
199.18080	1.6
200.18474	2.2
201.10309	4.9
207.12694	0.9
208.14551	1.7
211.07599	2.2
223.04039	1.1
227.07060	1.4
228.17876	1.5
229.08673	1.2
235.11821	5.7
243.07787	1.0
243.10251	1.5
244.15457	0.9
255.06773	0.8
255.10049	0.9
260.17691	0.9
271.09662	2.3
275.68674	0.8
283.09796	2.2
288.09964	15.1
303.12329	3.8
315.12585	2.4
315.18018	5.3
333.10696	2.2
333.14746	4.0
333.19205	32.6
333.23749	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	332.2223
Annotation	Tricalysiamide B
Peak:m/z	Relative Intensity
50.47462	0.3
53.03931	0.4
54.69656	0.4
55.05511	1.3
57.07077	1.5
60.23051	0.4
61.54090	0.4
65.10358	0.4
67.05495	1.1
68.05043	1.9
68.52703	0.4
69.03424	0.6
69.07061	1.0
70.06600	12.8
71.01475	0.3
71.04984	1.4
71.52159	0.4
72.08160	0.4
73.66753	0.4
79.05492	1.4
80.04964	0.5
81.07071	3.3
83.08630	0.8
84.08111	0.4
85.06518	0.9
91.05473	3.6
93.07059	5.4
94.06595	0.5
95.08624	1.5
96.08147	1.6
97.06549	0.5
98.06042	1.0
98.98479	2.1
100.07617	5.5
105.07043	5.3
107.08604	5.0
108.08136	2.3
109.10176	1.3
110.09675	0.4
111.08129	0.4
111.76744	0.4
114.05531	2.5
114.09192	0.5
115.05436	0.5
116.07108	1.3
117.07043	3.8
119.08590	5.2
120.08089	0.8
121.06542	0.4
121.10173	1.6
122.09692	2.2
123.08064	0.4
123.11691	0.5
126.09224	0.5
128.06232	0.7
128.07095	5.3
129.07013	1.0
131.08575	10.0
133.10127	7.4
134.09671	0.9
135.08049	3.6
135.11710	2.4
137.05960	0.7
140.07117	0.6
140.10718	0.6
142.07729	0.7
142.08664	5.3
143.08571	2.6
144.09317	1.0
145.10121	4.8
147.07999	0.5
147.11722	1.4
148.11212	0.9
149.09607	0.4
151.06302	0.6
152.07040	0.7
153.12762	4.9
154.08649	3.4
157.10144	3.1
158.10915	2.0
159.11710	3.0
161.09642	1.3
161.13293	0.5
164.07109	0.4
167.07097	0.5
168.10222	17.4
169.10178	0.9
171.11752	1.9
173.13283	9.7
175.14868	1.1
178.08655	5.5
180.10208	0.8
182.11800	0.9
184.12541	0.8
186.12825	0.8
188.14398	0.5
191.14322	0.7
192.10300	0.5
194.11723	3.0
199.14891	3.9
200.14449	0.4
201.16415	1.4
202.15880	0.7
212.14250	0.6
217.15881	2.4
222.42574	0.4
230.15450	0.5
232.13470	1.9
233.14124	1.2
234.14934	0.5
239.37845	0.4
248.16533	0.9
272.20145	1.3
273.17361	0.8
276.16031	1.5
284.16513	1.1
302.17563	6.5
314.21118	2.9
314.26700	0.4
317.19913	2.5
332.22229	100.0
333.22488	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78451	0.4
55.05499	0.7
57.03422	0.9
58.06567	1.2
60.04494	0.4
67.05476	1.2
68.04999	0.8
69.03381	0.5
69.07048	0.6
69.27168	0.6
69.27571	3.3
70.06593	3.7
71.04999	0.5
72.08129	1.6
79.05476	2.5
80.04962	0.6
81.07058	3.2
84.08121	0.4
85.02874	0.6
86.09672	0.8
87.04446	1.4
91.05450	1.6
93.07018	1.7
94.06551	1.1
95.04962	3.5
95.08594	1.1
96.08113	0.7
97.06514	0.5
98.06075	2.0
98.06585	0.4
98.98476	4.9
100.07607	3.4
105.07035	3.6
106.06559	2.0
107.07302	0.8
107.08593	2.0
108.08134	2.0
109.10191	0.8
114.05487	1.2
115.06586	0.4
116.07084	1.0
119.08531	1.1
120.08088	1.6
121.08856	0.5
121.10132	1.4
122.09653	2.5
123.08045	0.5
125.09663	0.5
128.06215	0.6
128.07083	3.2
129.06941	0.4
130.08640	0.5
131.08568	3.4
132.08131	0.5
133.08832	1.7
133.10120	1.8
134.09706	1.9
135.11699	0.4
137.05986	2.9
137.09558	0.5
140.10667	1.0
145.10086	0.8
146.09641	0.8
147.11610	0.4
148.11217	17.3
149.12009	3.5
151.07521	0.5
152.07080	1.3
158.11795	4.9
161.09569	1.0
164.07104	0.8
165.05467	0.9
166.12256	1.2
167.07033	2.5
168.10234	1.0
169.10123	0.4
171.11690	0.6
173.13234	1.1
176.98737	0.5
178.08669	2.5
179.09442	1.2
192.10207	5.0
194.11774	100.0
195.11975	0.6
202.14413	1.0
209.96785	0.4
210.11151	0.7
211.13300	2.9
241.79503	0.4
258.14960	0.6
288.09903	0.5
297.20654	0.4
314.21045	1.9
332.13397	0.9
332.22235	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.05501	0.3
55.59174	0.2
56.05011	0.2
60.04518	0.7
61.76392	0.2
66.69344	0.2
67.05487	0.8
68.05009	0.6
69.07068	0.3
70.06596	2.4
70.66594	0.7
74.02403	0.5
79.05491	1.8
80.04995	0.3
81.07066	2.0
84.08123	0.6
86.09714	2.6
87.05578	0.3
91.05454	1.0
93.07032	0.9
94.06577	1.3
95.04976	3.2
95.08604	0.3
96.08174	0.3
97.06515	0.4
98.06046	0.4
98.20824	0.2
98.97581	0.4
98.98501	0.5
100.07607	1.1
105.07053	3.2
106.06565	1.7
107.07323	0.9
107.08580	1.7
108.08139	1.1
109.10198	0.2
114.05527	1.3
116.07070	0.3
119.08554	0.7
120.08106	2.1
121.08869	0.7
121.10132	0.8
122.09679	1.7
124.03946	0.2
128.06229	0.3
128.07100	2.8
128.10710	0.4
129.10255	0.4
131.08585	2.7
132.08073	0.4
132.10181	0.2
133.08868	1.6
133.10117	0.8
134.09656	1.6
135.08072	0.3
137.05910	0.2
142.08646	0.5
143.08582	0.8
145.10088	0.4
146.09647	0.6
147.10484	0.3
148.11224	15.5
149.12019	2.7
150.12859	0.3
150.51634	0.2
152.07079	1.1
157.10164	0.4
161.09627	0.7
164.07068	1.0
166.08540	0.3
166.12335	1.3
168.10181	1.2
171.11699	0.3
173.12910	2.5
176.10774	0.3
178.08627	2.1
179.09418	0.9
182.11627	0.3
192.10210	4.6
194.11780	100.0
195.12108	0.8
199.14774	0.3
201.12352	0.9
210.11386	0.5
286.21686	0.2
314.21130	1.5
332.22223	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	332.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.1
55.05506	7.6
56.05040	9.8
57.07063	3.5
58.06604	2.0
60.04514	7.8
65.03932	3.9
66.04723	38.1
67.05508	24.9
69.03419	3.4
70.06612	3.5
71.07378	36.3
71.53993	2.8
72.08155	24.8
79.05496	100.0
81.03416	2.8
81.07055	12.2
82.39883	2.0
88.07624	3.2
91.05486	47.5
93.07048	29.5
94.04182	30.3
95.04967	19.8
95.08603	8.8
98.06078	3.7
98.42351	2.1
98.98464	17.3
103.05437	2.5
105.07042	25.3
107.04939	2.9
107.08594	56.2
109.06522	4.2
109.10129	2.3
110.05993	3.6
115.05459	4.7
117.07023	35.0
118.07787	2.8
119.06113	3.7
119.08577	25.1
121.06522	5.5
121.10132	2.8
122.06004	3.5
126.09158	8.7
129.07033	3.3
131.08577	35.6
133.10135	19.9
142.07811	2.9
143.08592	2.2
145.06471	4.0
145.10138	17.4
147.08028	2.1
149.24966	1.7
150.09155	5.2
155.08585	2.6
157.10164	4.7
159.08017	2.9
159.11749	3.1
164.10753	4.3
165.11502	88.8
173.13254	25.9
175.14835	6.6
176.99045	3.2
183.11690	3.3
186.68053	1.9
188.53873	2.1
201.12781	6.8
272.20090	90.5
317.06110	10.9
331.33905	4.9
332.08481	15.5
332.22147	2.4
332.25916	2.5
332.34677	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	332.2223
Annotation	Tricalysiamide B
Peak:m/z	Relative Intensity
55.05509	1.4
56.71773	0.4
57.07071	1.5
58.06604	0.6
58.22857	0.3
67.05495	0.9
68.05049	1.9
69.03410	0.3
69.07072	0.9
69.43810	2.7
69.44152	0.5
70.04022	0.3
70.06601	10.4
71.04993	0.3
73.59212	0.3
74.95708	0.3
79.05497	1.4
80.05017	0.6
81.07069	1.7
83.08629	0.4
84.08174	0.5
91.05503	2.5
93.07052	3.1
95.08603	1.5
96.08138	1.7
96.45326	0.4
96.54432	0.3
98.06084	1.0
100.07629	4.0
105.07040	5.0
107.08614	3.6
108.08116	1.8
109.10181	0.5
114.05543	2.9
114.09222	0.4
115.05454	0.6
115.34837	0.4
116.07110	1.1
117.07016	2.6
119.08611	4.4
120.08147	0.7
121.10159	1.0
122.09692	2.6
128.06227	0.5
128.07100	5.6
129.07039	1.2
131.08585	9.0
133.10152	5.9
134.09654	0.6
135.08076	3.8
135.11670	1.0
140.07053	0.5
140.10681	0.5
142.07722	0.6
142.08667	4.1
143.08572	2.8
144.09389	0.7
145.10136	3.5
147.11702	1.3
148.11220	1.1
149.13266	0.5
151.06291	0.8
154.08643	3.1
157.10158	3.3
158.10933	2.1
159.11713	3.2
161.09621	1.2
161.13261	0.6
163.11174	0.6
168.10233	14.1
169.10088	0.6
171.11713	2.0
173.13287	10.1
175.14827	1.3
178.08678	4.0
180.10272	0.9
182.11740	0.5
184.12526	1.0
186.12761	0.6
187.14955	0.6
188.14375	0.6
191.14383	0.6
192.10168	0.4
194.11786	3.6
199.14832	3.7
201.16412	1.3
202.15865	0.5
212.14461	0.6
217.15881	2.9
218.11746	0.4
219.17586	0.4
232.13371	1.6
233.14153	0.9
234.15009	0.6
248.16531	1.2
254.18993	0.7
258.14914	0.5
272.20184	0.6
276.16000	1.5
284.16492	0.8
302.17523	6.1
306.50436	0.4
314.21155	2.5
317.19962	3.1
332.22232	100.0
333.22482	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29328	3.7
60.04526	4.1
65.16206	3.6
67.05513	9.3
67.11835	4.5
70.44226	8.9
75.13728	3.3
98.98476	43.0
111.96563	3.9
131.04967	5.9
135.08002	4.7
147.04504	4.4
173.02361	7.8
199.07565	5.9
201.01839	7.0
203.03430	59.3
246.64424	3.6
269.07971	25.0
287.09204	7.2
288.05780	9.6
299.05286	6.0
300.05923	6.1
316.05368	24.8
317.06210	12.8
332.08484	100.0
332.12952	4.6
332.14282	6.0
332.22195	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	332.2183
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
55.01861	0.5
56.05029	0.9
57.03444	1.2
57.07070	0.6
58.06604	1.6
60.04530	0.6
61.02924	1.5
67.05499	0.8
69.03423	2.8
69.07077	5.7
69.64435	1.0
69.64825	1.6
70.06608	6.0
71.04993	1.0
72.08157	5.3
73.02924	0.8
74.06093	0.7
79.05495	0.8
81.03418	1.6
81.07050	1.1
83.04974	0.6
84.04516	1.1
84.08154	3.1
85.02915	12.5
86.09713	100.0
91.03940	0.7
91.05476	3.3
93.07068	0.7
94.06598	2.2
96.08183	1.3
97.02897	2.5
98.98479	9.7
102.05550	1.4
105.03413	1.9
106.04986	0.9
106.06596	0.6
107.04961	6.9
108.08130	5.8
109.02890	1.1
110.07175	1.0
111.09231	1.5
114.05510	0.5
114.09229	0.6
116.07115	0.8
120.08111	0.8
121.06522	1.4
123.04460	1.0
123.05506	0.8
124.07612	6.4
127.03903	3.2
127.08613	0.8
128.07089	0.8
129.10327	0.5
130.06601	0.6
132.10071	0.5
135.04457	0.9
135.08118	0.6
136.06212	0.9
136.07626	1.4
137.06029	1.6
145.04976	4.8
151.11186	0.9
152.07080	5.3
152.11531	1.1
153.05469	3.5
155.08727	0.6
157.13428	0.8
163.06084	1.1
167.07083	1.3
170.08156	1.2
173.09225	1.3
177.05583	0.8
180.08717	2.1
180.25110	0.5
185.12943	0.6
187.10884	0.7
199.18066	26.8
201.12361	2.4
219.13400	4.5
226.14348	0.5
227.17549	16.6
227.19801	0.9
229.11804	0.6
233.09259	0.7
243.04784	0.6
244.15578	1.1
247.10846	1.3
263.36169	0.6
268.33847	0.5
286.11841	1.1
302.16174	0.5
304.16452	3.0
314.12411	2.1
314.17224	0.7
314.20898	2.1
332.13248	5.2
332.25574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1344
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
52.05397	0.5
55.01873	0.7
57.03433	1.5
60.61227	0.4
61.02921	1.9
63.12853	0.5
65.03946	0.7
67.05500	2.1
69.03437	5.8
70.01699	2.0
71.05002	0.5
73.02910	2.4
79.05489	1.0
81.03437	1.5
81.07065	0.4
85.02908	6.7
87.04459	1.2
91.03994	0.5
96.08132	1.0
97.02880	2.4
98.20843	0.7
99.04453	0.7
106.06564	4.3
108.08125	100.0
109.02904	0.7
123.06815	3.2
124.07605	15.5
127.03935	1.4
134.05016	0.6
134.06036	11.0
136.06541	0.6
136.07590	12.3
152.07076	62.0
153.07457	0.7
154.08643	1.7
170.05124	1.0
170.08144	5.7
254.10318	0.6
286.36560	0.6
314.12347	37.7
315.12671	0.9
325.65286	0.5
325.92548	0.5
332.13422	70.5
333.13647	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30806	1.4
52.66431	1.4
55.05519	11.3
57.03428	6.6
57.07079	100.0
67.05511	24.7
69.07072	18.5
70.06590	5.4
71.08636	70.8
73.15177	1.7
75.04466	4.7
81.07066	34.2
81.07530	3.1
83.08621	26.9
85.06509	1.7
85.10191	33.3
88.07664	7.3
89.07962	2.9
95.08614	52.6
97.10174	10.8
98.98473	56.1
102.09219	2.1
106.08653	5.7
109.10168	25.3
111.11722	3.5
120.18300	1.6
123.11697	11.1
133.07613	1.8
137.13254	5.1
151.14874	2.2
172.97353	1.8
174.99269	3.4
176.47498	1.7
176.98975	6.5
221.22682	2.0
239.23691	27.7
254.99452	1.7
257.24652	7.8
313.27411	72.0
313.32913	3.2
316.05942	4.4
331.08029	10.8
331.34030	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80093	1.3
55.05516	10.7
56.61140	1.5
57.03444	6.4
57.07081	82.5
59.56483	1.4
67.05506	20.4
69.07070	11.8
69.74789	4.0
69.75191	3.3
70.06590	6.0
71.06925	2.5
71.08640	56.6
75.04469	2.6
81.07063	28.1
83.08635	19.5
85.10194	32.1
88.07639	12.4
89.07984	3.7
93.07013	1.8
95.08617	44.1
96.46732	1.5
97.10183	10.6
98.98475	71.7
99.08080	1.8
99.11768	2.1
100.98884	2.3
102.09174	2.7
103.09510	1.9
106.08645	4.7
109.10165	18.1
111.11744	3.3
123.11703	8.1
125.13324	2.3
137.13242	5.3
151.14896	1.8
174.99248	3.5
176.98923	7.5
200.31694	1.5
239.23712	20.5
257.24802	4.9
261.02182	1.4
301.67972	1.3
313.27405	61.3
313.32639	6.4
316.05768	12.0
331.08221	13.2
331.34024	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2271
Annotation	CHEBI:70563
Peak:m/z	Relative Intensity
55.01869	1.7
55.05512	3.3
57.07077	3.3
62.50169	0.7
65.83085	0.6
67.05511	1.5
67.12227	0.7
69.03433	0.8
69.07073	4.8
71.08658	1.2
71.53340	0.8
79.05492	1.6
81.07067	4.0
83.01340	2.3
83.05001	0.9
83.08634	4.9
85.10188	1.1
90.22312	0.6
91.05495	1.6
93.07052	3.8
95.01348	0.9
95.08618	9.1
97.06524	4.8
97.10155	0.7
98.98479	20.3
105.07045	2.3
107.08586	1.8
109.02879	1.2
109.06511	0.9
109.10154	1.4
113.02419	1.5
117.07069	0.6
119.08587	1.1
121.10153	7.1
123.04428	0.9
123.08084	12.3
123.11752	0.8
127.03903	0.8
128.13754	0.6
131.08530	0.7
131.69975	0.6
133.10129	1.9
135.08080	0.7
135.11682	1.4
137.09647	1.1
137.13246	1.6
141.09152	1.5
145.06757	0.7
151.07582	6.6
153.05486	2.4
154.42517	0.6
161.09618	2.5
164.49966	0.6
165.05486	2.4
165.09128	0.8
167.07002	1.1
167.26692	0.6
167.50735	0.6
169.08603	9.2
174.99191	0.8
176.98938	1.8
179.06798	0.5
179.10750	0.7
189.09055	1.4
193.92767	0.7
195.10217	5.9
207.10191	48.9
211.98228	0.6
221.11786	3.5
235.13367	0.9
247.13437	1.1
249.14890	2.2
252.99615	0.8
257.04568	1.0
275.16388	1.6
285.03900	1.1
313.27460	1.1
315.05145	0.8
316.05856	5.9
331.08148	9.4
331.22705	100.0
332.22998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.4
53.20110	1.6
55.01876	4.9
55.05495	3.3
57.03441	2.8
57.07077	2.3
58.38570	1.7
59.05006	35.6
61.02930	6.0
65.03961	1.6
67.05502	10.7
69.03429	11.4
69.07066	3.1
69.19306	14.0
69.19700	2.9
71.04996	12.0
72.08154	1.8
79.05513	9.7
81.03419	5.8
81.06586	3.4
81.07059	51.0
83.04975	2.7
83.08623	3.0
85.02910	37.4
85.06524	2.1
91.05473	9.5
93.07051	32.5
95.04966	7.3
95.08624	10.4
97.02893	9.4
98.98473	27.8
99.04465	4.1
105.07039	8.8
107.08599	25.2
109.02911	3.7
109.06519	15.5
109.10164	52.8
111.08089	22.6
119.08566	1.8
121.10236	2.2
123.10831	3.1
123.11713	51.5
127.03898	7.2
133.10135	27.8
145.04956	6.8
151.03856	2.8
151.11195	100.0
153.12604	1.7
158.99617	2.1
167.07053	4.7
169.12263	12.5
176.98929	3.0
181.05008	3.9
193.04953	7.1
211.06007	2.8
235.06012	4.1
247.05983	3.1
331.11526	1.9
348.86887	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	331.1752
Annotation	1,1,5-Trimethyl-2-hydroxymethyl-(5)-cyclohexene-(4)-one-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03951	5.4
53.20110	1.6
55.01876	4.9
55.05495	3.3
57.03441	2.8
57.07077	2.3
58.38570	1.7
59.05006	35.6
61.02930	6.0
65.03961	1.6
67.05502	10.7
69.03429	11.4
69.07066	3.1
69.19306	14.0
69.19700	2.9
71.04996	12.0
72.08154	1.8
79.05513	9.7
81.03419	5.8
81.06586	3.4
81.07059	51.0
83.04975	2.7
83.08623	3.0
85.02910	37.4
85.06524	2.1
91.05473	9.5
93.07051	32.5
95.04966	7.3
95.08624	10.4
97.02893	9.4
98.98473	27.8
99.04465	4.1
105.07039	8.8
107.08599	25.2
109.02911	3.7
109.06519	15.5
109.10164	52.8
111.08089	22.6
119.08566	1.8
121.10236	2.2
123.10831	3.1
123.11713	51.5
127.03898	7.2
133.10135	27.8
145.04956	6.8
151.03856	2.8
151.11195	100.0
153.12604	1.7
158.99617	2.1
167.07053	4.7
169.12263	12.5
176.98929	3.0
181.05008	3.9
193.04953	7.1
211.06007	2.8
235.06012	4.1
247.05983	3.1
331.11526	1.9
348.86887	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	331.1907
Annotation	Carnosol
Peak:m/z	Relative Intensity
52.11267	0.7
52.15417	0.8
53.03942	1.0
55.01650	0.9
55.01879	7.3
55.05505	3.3
56.96568	0.9
57.03436	1.7
57.07080	1.0
60.04512	1.8
67.05508	4.0
69.07066	3.8
71.04992	0.7
71.52726	1.2
71.53098	0.7
72.39600	0.7
76.49194	0.7
79.05494	8.6
81.07064	8.7
83.08607	1.2
83.65091	0.7
86.09712	0.9
91.05482	3.2
93.07063	4.1
94.10361	0.8
95.04959	1.9
95.08617	4.8
97.06552	1.0
97.10178	2.3
98.98479	93.3
100.98888	2.7
103.05491	4.2
105.07043	31.4
107.04964	1.9
107.08614	3.6
109.06533	1.0
109.10146	3.9
111.08104	0.8
115.05467	5.2
117.07023	5.3
119.08546	1.2
121.06498	3.2
121.10152	2.0
123.08114	1.2
123.11716	2.3
125.09663	1.9
128.06239	1.4
129.07004	1.8
131.04919	2.6
131.08548	1.2
133.02792	0.8
133.06508	38.7
133.10092	1.5
135.04420	1.9
135.07973	0.8
137.09618	1.1
139.11203	7.6
140.01094	1.6
141.06987	1.0
143.04897	2.2
143.08556	1.6
144.05754	1.5
145.06506	27.7
145.10104	1.8
147.08051	1.8
149.05995	1.4
149.09634	1.1
151.11206	1.1
153.06929	1.3
155.04965	3.7
155.08534	2.1
157.06551	4.0
158.07277	1.1
159.08066	3.1
159.11613	0.8
161.05995	64.2
165.06976	1.6
168.00552	1.3
169.01328	1.3
169.06482	2.3
170.07285	1.7
171.08073	7.0
173.06015	6.7
173.09708	4.5
174.99269	4.6
175.07591	3.8
176.98952	10.1
179.08566	1.4
182.07375	1.1
183.02899	0.8
183.08080	13.3
185.05995	1.0
185.09627	7.1
187.07581	3.1
193.10059	1.6
195.08076	1.2
197.09647	14.4
199.07568	2.5
201.09122	47.0
209.09677	1.4
211.07784	1.2
211.11209	7.4
221.09676	1.5
223.11264	2.2
225.12813	1.5
237.12682	1.1
239.10608	1.3
242.05688	1.5
245.04552	1.2
252.99828	1.1
253.15970	10.5
257.04382	5.8
263.14371	7.8
271.16992	2.7
273.03833	1.8
281.15405	13.0
285.03946	11.5
287.05576	2.1
299.16428	15.6
301.03430	1.3
313.17981	2.9
315.05066	4.7
316.05820	57.0
317.06253	1.3
331.08136	100.0
331.18967	10.8
331.30179	1.5
331.33966	2.0
332.08447	2.2
349.17114	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	331.1027
Annotation	32142-31-7
Peak:m/z	Relative Intensity
55.01873	3.6
55.05503	1.3
57.03423	2.6
58.99579	2.6
61.02925	3.1
65.03960	1.1
65.36433	1.0
67.05507	2.0
68.99788	1.5
69.03433	5.3
69.07063	1.6
70.06590	3.7
70.38765	2.3
70.39136	1.8
71.05030	1.1
72.08158	2.2
73.28732	0.9
76.02239	5.7
79.05495	2.8
81.03400	2.3
81.07059	12.3
83.06116	3.9
84.04524	1.7
84.08146	4.0
85.02917	18.8
86.00640	0.9
86.09721	4.5
86.99046	2.0
87.02689	2.7
87.04471	1.1
87.19541	1.0
91.03946	1.2
91.05472	2.0
95.04975	2.2
95.08597	2.1
97.02921	6.0
97.06567	1.1
98.98474	59.3
99.04480	1.7
100.98919	1.8
103.03955	1.9
105.07038	1.8
107.08632	1.1
108.08092	1.6
109.02881	4.4
116.99645	1.0
121.02884	2.9
123.04427	7.8
124.07600	5.3
127.03946	5.5
129.06583	6.8
129.10251	1.8
130.47478	0.9
137.06015	1.9
145.04964	1.8
147.04402	3.2
151.03926	18.4
151.11195	1.1
156.04768	1.2
156.08438	4.1
157.06865	4.2
161.05928	1.3
163.03935	6.8
165.05461	2.8
169.04976	100.0
174.09523	3.4
174.99240	3.2
175.03926	2.0
176.98901	6.7
181.04976	16.4
187.03886	2.3
189.05457	2.0
193.04977	23.9
199.04454	1.3
203.07343	1.1
205.05029	2.4
207.06551	7.5
211.06032	16.7
217.04930	1.3
229.05009	4.1
231.06458	1.0
233.05936	2.2
235.06018	19.2
247.06032	19.0
253.00003	1.3
253.03674	1.7
259.06073	9.3
265.07156	2.2
271.04849	1.1
277.07117	6.3
295.08133	2.9
313.12262	1.7
331.13327	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	331.1027
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01886	6.1
57.03447	3.4
57.07087	2.5
61.02927	1.9
67.01884	2.8
67.05513	2.5
68.99806	1.9
69.03441	2.7
69.07111	2.1
70.89431	4.4
73.02930	2.7
74.71310	1.9
81.03437	4.2
81.07071	2.0
83.04997	2.2
84.04530	2.1
85.02915	27.8
91.05513	5.5
93.03398	1.9
95.04967	2.9
97.02902	3.5
98.98479	69.8
103.03963	8.0
108.08126	2.2
108.18089	1.7
109.02893	10.6
112.44835	1.8
119.04929	3.9
121.02923	4.9
123.04422	13.7
127.03945	4.7
132.55795	1.9
133.02899	2.1
135.04404	1.9
139.03940	4.3
145.06511	3.5
147.04404	15.4
151.03918	34.3
151.11314	2.2
152.07127	1.9
153.01926	2.4
161.05991	5.9
163.03920	21.5
165.05507	19.5
167.07089	5.1
169.04993	24.5
169.12381	2.0
173.06000	3.0
174.99272	3.5
175.03972	8.0
176.98993	5.3
179.07072	3.4
181.04980	66.7
187.03883	11.1
189.01895	1.9
189.05522	11.5
193.04979	100.0
201.05504	3.8
205.05072	14.8
207.02942	2.8
207.06554	30.1
211.06036	70.7
211.08022	4.1
213.05588	4.6
217.04980	6.5
219.06551	2.2
221.04419	2.3
229.04990	19.1
231.06557	6.7
235.06046	86.6
241.04916	6.8
247.06050	81.9
249.07649	2.2
259.06033	39.3
265.07080	13.8
277.07047	23.1
295.08197	15.5
313.09238	5.2
314.12332	2.2
316.05664	4.1
331.08228	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	331.1015
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.03932	2.7
55.01861	4.8
55.05494	3.0
57.98161	1.7
58.06604	4.2
60.04527	15.9
65.03935	1.8
67.01866	1.9
68.99795	2.1
69.03410	3.3
69.64562	10.4
72.08121	2.6
79.05450	1.8
81.03415	4.1
81.07033	4.9
83.04959	5.1
84.08145	4.0
85.02914	13.8
86.09704	4.1
91.05482	3.9
93.03409	1.6
93.07063	1.8
95.04967	3.4
97.02882	3.0
97.76089	1.7
98.98473	94.5
100.98896	2.6
101.00870	2.2
103.03919	3.5
109.02873	4.2
109.10158	4.1
110.07177	12.5
111.04454	3.2
111.07474	2.5
119.01907	2.1
119.04980	3.0
123.04441	12.1
123.11771	2.8
125.05991	4.0
127.03917	5.9
129.10301	1.9
130.06546	1.6
137.05974	2.4
147.04427	5.8
151.03911	27.3
151.11200	17.9
154.12390	2.1
157.07634	4.6
161.05986	1.9
163.03946	7.6
165.05510	4.7
169.04974	100.0
169.12216	2.0
174.99260	5.3
175.03963	3.2
176.98952	7.9
181.04947	21.4
187.03967	3.9
189.05521	3.1
193.04964	29.9
205.04941	4.1
207.06555	11.1
211.06015	23.9
217.04869	2.3
219.06445	2.4
229.05064	4.8
231.06564	1.7
235.06026	29.1
241.05038	4.6
245.10077	1.9
247.06018	28.8
252.99637	2.3
259.06073	12.3
265.07129	4.2
277.07092	7.0
287.11041	13.6
295.08075	4.8
313.16681	4.7
331.10022	92.2
331.17715	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	331.1024
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.17191	2.6
51.07985	2.0
55.01877	9.0
57.03439	4.8
62.05442	2.3
67.01871	2.9
68.99792	3.0
69.03455	2.3
69.78463	9.9
77.36581	2.2
79.05517	2.6
81.03423	4.0
85.02911	21.2
91.05466	3.7
95.05000	3.1
95.21473	2.3
97.02882	3.4
103.03957	5.6
109.02885	9.0
117.36800	2.1
119.04973	4.5
121.02834	5.1
123.04425	11.6
127.03937	2.9
137.06020	3.9
139.03926	5.6
145.06523	4.1
147.04437	15.1
151.03914	32.6
161.06001	8.3
163.03928	26.3
165.05484	17.4
166.27055	2.3
169.04985	23.4
173.06042	2.8
173.63928	2.3
175.02501	2.9
175.03877	11.9
179.06996	2.9
181.04961	68.3
187.03918	10.6
189.01753	2.5
189.05487	13.1
193.04968	100.0
194.37241	2.5
195.19664	2.3
200.88062	2.2
201.05528	4.4
205.04956	15.9
207.02921	4.3
207.06567	27.6
211.06015	83.8
213.05519	4.0
217.04903	4.7
219.06586	3.5
229.04947	22.2
231.06622	4.9
233.04488	4.1
235.06027	95.4
241.05038	9.6
247.06027	96.2
259.06006	36.4
265.07037	16.6
277.07132	21.3
295.08185	13.7
313.09146	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	331.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80799	2.0
55.01862	7.9
57.03424	3.1
61.02938	3.2
61.29639	2.2
67.01868	5.7
68.10101	2.2
68.99792	4.0
71.25957	5.2
71.26307	2.5
71.31046	2.4
74.32063	2.1
80.90081	2.2
81.03416	3.6
85.02917	23.4
95.04961	3.1
97.02818	2.3
98.98496	7.2
103.03958	7.9
105.03371	3.5
105.07008	2.1
109.02884	12.6
115.05492	2.5
119.04939	6.4
121.02872	5.5
123.04420	14.6
126.56281	2.5
127.03934	5.0
131.60748	2.5
133.06581	2.6
137.05992	3.1
139.03928	6.7
147.04410	14.2
151.03909	37.7
151.11156	4.6
157.06494	3.3
161.05972	5.0
163.03896	22.6
165.05470	21.9
169.04976	31.6
171.04491	2.3
175.03883	9.9
177.05527	2.5
179.07117	3.7
181.04979	69.7
187.03917	8.7
189.05467	10.4
193.04980	100.0
201.05463	5.7
205.04980	18.5
207.02907	6.0
207.06561	33.3
211.06021	83.4
213.05502	2.6
217.04938	6.6
219.06525	4.1
229.04956	19.1
231.06534	4.9
235.06013	91.7
241.05013	9.7
247.03485	4.3
247.06044	89.6
249.07597	4.4
259.06018	47.0
265.07120	8.4
270.40097	2.8
277.07126	26.5
295.08215	17.0
313.09225	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	331.0813
Annotation	22697-65-0
Peak:m/z	Relative Intensity
55.01832	0.3
55.05462	0.3
67.05451	0.4
67.30341	0.2
68.99763	0.3
70.06542	0.3
70.10477	0.6
70.10881	0.4
73.09558	0.2
75.52109	0.2
81.03380	0.3
81.07018	0.6
83.04913	0.2
91.05500	1.1
93.07015	0.4
95.04908	0.4
95.08546	0.6
97.06503	0.2
98.98477	23.7
98.99110	0.9
100.98845	0.6
105.03316	0.3
105.07013	0.4
107.04899	0.3
107.08611	0.3
108.05672	0.2
109.02827	0.2
109.10123	0.2
109.45964	0.2
109.78485	0.2
111.04414	0.3
115.05415	0.2
116.99445	0.4
117.06976	0.2
118.04094	0.3
119.04915	0.4
121.02824	0.2
121.06519	3.2
121.10051	0.2
123.11682	0.4
123.30622	0.2
127.00259	0.3
127.03886	0.2
129.06949	0.3
131.04869	0.6
132.05704	0.3
132.74661	0.2
133.02798	0.5
135.04427	2.5
137.05904	0.7
139.00215	0.8
140.01044	0.6
141.06862	0.3
145.06468	1.4
146.03574	0.7
148.05228	1.5
151.03848	0.7
151.11127	0.3
152.04709	0.3
153.06963	0.4
157.06467	0.3
158.07216	0.4
161.05968	0.4
165.06934	0.5
165.09067	0.3
167.07089	0.3
168.00571	1.1
169.01256	1.0
169.02486	0.2
169.05017	0.3
169.06436	0.3
169.12326	0.3
170.02071	0.2
171.02869	0.3
172.05226	0.4
174.99255	1.2
175.03972	0.3
176.98941	2.5
177.05420	0.5
181.06433	0.4
182.07222	0.3
183.02826	0.6
183.08109	0.3
184.05016	0.2
185.00835	0.3
186.01593	0.5
186.06744	0.2
197.05991	0.5
198.06772	0.2
201.05444	0.3
209.05695	0.6
210.06769	0.3
211.07570	0.5
212.04723	0.2
213.05421	0.5
214.06190	0.6
217.05078	0.3
227.03423	0.5
227.07066	0.4
229.04915	0.9
238.06236	0.4
239.03433	0.3
241.04958	0.4
242.05737	1.8
243.06499	0.4
243.10191	0.3
245.04462	1.8
252.99730	0.3
254.99406	0.3
255.06329	0.3
256.03589	0.4
257.04504	7.0
259.05920	0.9
267.02795	0.3
269.04489	0.4
269.42456	0.2
270.05191	0.5
270.08243	0.3
271.06030	0.5
271.09613	0.4
273.03964	1.7
285.03961	13.2
287.05499	2.6
288.06390	1.2
299.09137	0.5
301.03433	0.9
305.94849	0.2
315.05011	6.3
316.05807	64.0
317.06241	0.5
331.08154	100.0
331.11581	6.1
332.08502	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	331.0814
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
51.48845	0.3
67.05477	0.5
67.14350	0.3
68.99765	0.4
70.81409	0.9
81.07029	0.5
85.06522	0.3
91.05452	0.5
95.04948	0.4
98.98478	25.2
100.98877	0.6
105.03379	0.7
105.06979	0.4
108.05683	0.3
116.99454	0.4
118.04097	0.5
120.05696	0.5
121.06497	3.0
127.00259	0.3
131.04921	0.7
133.02881	0.6
135.04437	2.3
139.00240	0.5
140.01056	0.4
145.06470	1.0
146.03653	0.8
147.04401	0.6
148.05188	2.1
152.04697	0.3
159.04410	0.6
168.00580	1.5
169.01317	1.2
171.02876	0.7
171.04242	0.3
172.05251	0.5
174.99274	1.1
175.03951	1.9
176.98936	2.4
185.00916	0.3
186.01712	0.7
187.03871	1.0
187.07523	0.5
189.05539	0.4
191.06862	0.3
199.03819	0.6
201.05450	0.5
218.05659	0.4
227.03360	0.4
227.06911	0.3
228.04161	0.3
229.04979	0.9
229.08604	0.8
239.03517	0.5
241.08517	0.7
242.05740	1.7
243.10101	0.5
244.63664	0.3
245.04465	1.2
247.09676	0.8
252.99742	0.3
257.04495	6.5
259.06158	0.5
267.02942	0.5
269.04520	0.7
270.05261	0.4
273.03946	1.7
285.03961	14.2
287.05524	2.4
288.06259	0.8
301.03476	1.0
315.04993	6.3
316.05801	70.0
317.06097	0.9
331.08148	100.0
332.08450	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0817
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
51.31583	0.2
55.05517	0.4
67.05514	0.9
68.99802	1.0
69.07067	0.4
69.24108	1.1
69.24529	1.2
71.04998	0.2
77.18887	0.2
79.05474	0.3
81.03423	0.3
81.07064	1.3
84.02142	0.3
91.05488	1.0
93.07055	0.6
93.10550	0.2
95.04967	0.3
95.08641	0.8
97.06493	0.4
98.20773	0.5
98.98479	34.3
100.98898	0.7
101.06019	0.3
105.07037	0.3
107.08594	0.3
109.02898	0.3
109.10172	0.6
116.99533	0.6
119.08602	0.3
121.06525	0.4
121.10172	0.3
123.08073	0.3
123.11705	0.5
131.04929	0.6
133.02866	0.5
133.10136	0.4
135.04430	0.7
135.11723	0.3
137.02383	0.4
137.05997	1.0
139.00253	0.4
140.01079	0.3
141.07040	0.2
147.04468	0.8
148.05254	0.5
149.05984	0.6
150.06795	0.5
151.03947	1.4
153.01849	0.4
158.10970	0.2
159.04391	0.5
161.05994	0.3
163.03996	0.4
165.07002	0.5
168.00577	1.1
169.01440	0.5
171.04413	0.4
174.99271	1.8
175.03932	3.1
176.98970	3.0
177.05472	1.1
181.06415	0.4
183.02899	0.3
183.08069	0.5
185.06026	0.3
186.01590	0.6
187.03905	0.3
189.05531	0.5
190.05014	0.8
197.06029	0.6
198.06836	0.3
199.03946	0.9
201.05548	0.4
203.03427	0.8
210.06746	0.4
211.07591	0.6
212.99628	0.3
213.05531	0.4
214.06331	0.4
215.03574	0.3
215.07060	0.8
217.04984	0.7
225.05450	1.5
227.03433	1.0
228.07922	0.3
231.02829	0.3
242.05766	0.3
242.11848	0.2
243.06548	0.3
243.10077	0.3
245.04486	7.1
252.99829	1.0
253.08621	0.3
255.02933	0.5
257.04419	0.6
259.06104	0.4
270.05206	0.8
271.06042	0.3
271.09644	0.5
273.03973	8.9
277.21567	0.5
285.04086	1.2
285.12195	0.6
287.05502	1.0
288.06271	1.7
295.13306	0.4
299.09155	0.4
301.03461	12.1
302.03842	0.3
303.04962	0.4
313.14417	1.1
315.05042	2.9
316.05814	78.8
317.06250	0.7
331.08160	100.0
331.11603	6.1
332.08673	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0812
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
53.31273	0.3
70.85074	0.6
82.71352	0.3
91.05463	0.3
98.98472	5.9
118.04169	0.4
120.05701	0.9
121.06516	2.8
133.02884	0.4
135.04413	2.0
139.00301	0.4
140.00989	0.4
145.06482	0.9
146.03600	0.9
148.05174	2.0
152.04672	0.4
161.05923	0.4
168.00546	1.1
169.01308	1.3
172.07356	0.3
176.98936	0.7
201.05508	0.4
203.85310	0.3
217.04953	0.4
228.04149	0.6
229.04962	0.6
239.03421	0.4
242.05774	2.2
245.04480	1.1
257.04465	6.9
259.05811	0.5
269.04623	0.4
273.03989	1.9
285.03964	14.8
287.05600	2.4
288.06277	1.2
296.66470	0.3
301.03250	0.8
315.04968	6.5
316.05786	69.9
317.06012	0.9
331.08127	100.0
331.15994	2.6
332.08505	0.9
354.99237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0812
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
70.71363	0.8
78.73029	0.4
98.98473	0.4
111.58836	0.4
118.04153	0.4
121.06516	2.3
133.02870	0.5
135.04419	1.9
140.01080	0.6
145.06442	0.6
146.03596	0.6
148.05235	1.1
151.51909	0.4
161.43990	0.4
168.00523	1.0
169.01378	1.4
169.05006	0.5
183.02852	1.8
217.05016	0.7
227.03346	0.5
235.55798	0.4
242.05782	1.8
245.04562	1.8
257.04480	5.3
267.02805	0.5
270.05386	0.5
273.03964	1.3
285.03989	9.9
285.07077	0.8
287.05481	1.4
288.06403	1.5
301.03577	0.8
315.05008	5.3
316.05804	39.9
317.06091	0.7
331.08145	100.0
332.08582	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01870	2.0
55.05523	8.3
57.07083	26.4
60.04513	1.1
65.03935	1.2
67.05174	2.0
67.05506	24.5
69.07072	6.8
69.33617	8.8
70.06596	1.6
71.08609	1.5
72.04520	2.2
72.08162	3.6
74.09729	13.9
79.05499	23.3
81.07066	26.0
83.08618	4.7
91.05489	20.5
93.06489	2.2
93.07054	31.3
95.04993	1.9
95.08617	23.3
97.10165	2.7
98.06017	1.3
98.98473	40.3
105.07040	20.1
107.04958	2.2
107.08590	21.2
107.29840	1.1
109.10168	11.1
111.70594	1.0
117.06313	1.1
117.07024	6.1
119.08591	15.0
121.10155	22.6
121.18049	1.2
123.11691	2.5
129.07001	2.8
131.08575	14.3
133.10146	19.6
135.08075	1.2
135.11707	29.4
143.08563	2.8
145.10132	14.5
147.08029	1.8
147.11703	18.5
149.13290	12.2
157.10118	2.6
159.11700	10.7
161.09621	2.1
161.13297	7.2
163.14818	2.1
171.11713	3.3
173.13272	6.9
174.99252	2.7
175.14803	6.1
176.98898	2.2
182.15463	1.6
183.11682	2.3
185.13275	1.9
187.14861	3.2
189.16423	4.3
194.15302	1.3
196.17017	5.0
199.14885	1.5
208.17001	1.8
213.16438	2.3
215.17973	19.7
220.21443	1.8
229.19534	19.3
231.21094	16.6
234.18668	3.1
238.22530	2.2
239.17923	6.9
250.21706	1.6
257.18988	17.4
302.24689	1.7
316.05823	4.7
324.95648	1.1
330.07004	4.9
330.27930	100.0
330.33881	3.8
331.08078	8.5
331.28235	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03418	2.6
51.52375	2.7
53.96532	3.0
53.99150	3.0
55.01867	5.9
55.05514	41.8
56.96568	3.7
57.03446	16.0
57.07079	7.7
59.04986	4.8
60.04530	3.7
67.05515	100.0
69.03413	4.0
69.07078	38.5
69.96703	15.2
71.04979	8.5
71.08631	7.2
72.08148	8.3
79.05508	34.5
81.03411	7.9
81.06592	5.8
81.07064	96.9
82.35387	2.6
83.04997	17.0
83.08635	26.5
85.06541	5.1
85.75694	2.9
87.04468	8.1
91.05493	26.0
92.14315	3.5
93.07063	36.3
94.49245	2.7
95.04958	8.2
95.08614	41.7
97.06557	6.2
97.10185	17.0
98.98477	97.0
99.08090	6.4
101.06020	8.7
105.07049	15.5
107.04986	3.1
107.08606	24.7
109.06501	7.6
109.10169	46.3
111.08080	13.5
114.28181	2.9
117.06987	3.5
119.08586	16.8
121.10175	16.8
123.08032	5.7
123.11706	16.8
125.09640	16.1
129.07018	3.7
131.08563	5.0
133.10129	12.8
135.08044	4.2
135.11710	10.8
137.09592	4.7
139.11169	13.9
141.12738	4.6
145.10085	4.6
147.11662	11.5
149.13275	9.4
153.09106	3.6
153.12790	6.3
155.10672	34.9
156.17445	4.8
157.10214	3.4
159.11647	3.7
161.13257	9.2
163.11180	4.2
165.12833	4.6
167.03430	7.7
171.11662	3.6
173.11740	47.0
174.99208	5.5
175.14825	4.4
176.98987	5.0
189.11156	10.2
189.12727	3.4
191.07101	4.1
193.12201	9.3
200.79002	3.8
211.13231	8.2
221.15482	3.4
234.55577	3.1
241.19418	3.5
256.26334	3.6
259.20706	7.1
268.30060	10.9
269.10529	3.4
277.21637	48.4
295.22742	44.1
320.48267	3.3
330.30017	21.8
330.33682	39.1
331.11731	3.7
349.16849	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	330.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00656	3.2
54.27504	3.2
55.01863	10.7
55.05517	41.1
56.05019	3.9
57.03451	16.8
57.07063	9.2
60.04527	4.7
63.17339	3.3
67.05509	100.0
69.03440	4.4
69.07084	41.2
70.07449	6.8
70.07813	13.4
71.04997	7.2
71.08633	6.9
79.05499	46.5
81.03419	9.7
81.07060	91.2
83.04989	18.2
83.08627	29.8
85.06561	6.3
91.05490	24.2
93.07058	44.5
95.04983	10.8
95.08619	43.4
97.06525	9.3
97.10176	10.8
98.98465	49.4
105.07049	21.4
107.08602	29.8
109.10175	56.1
111.08088	12.0
111.11726	4.2
117.07000	5.9
119.08581	20.6
121.10149	17.1
123.11696	16.7
125.09663	13.3
129.06984	4.5
131.08574	8.4
133.10168	11.9
135.08006	5.4
135.11729	10.2
137.09677	7.2
139.11200	21.5
147.11711	12.3
149.13268	8.1
151.11168	5.1
155.10695	34.1
159.11774	3.7
161.13312	11.0
163.14825	4.8
165.12787	10.3
171.11714	3.5
173.11732	50.0
176.98936	4.7
179.14299	4.0
189.11220	5.8
193.12231	5.7
207.13782	4.8
211.13326	14.4
217.19490	3.8
231.21045	4.5
241.19453	7.1
259.20569	6.7
277.21646	51.1
295.22690	41.5
330.30118	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	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82597	2.2
53.44045	2.3
55.01876	5.5
55.05516	21.4
57.03437	11.2
57.07084	5.4
59.05006	5.3
60.04547	2.9
67.05511	91.5
69.03434	4.8
69.07072	24.0
70.69497	7.2
70.69856	2.4
71.04998	3.6
71.08606	3.6
79.05503	20.4
80.18913	2.6
81.03427	7.0
81.07063	54.7
81.79891	2.4
82.82468	2.2
83.04982	10.1
83.08619	15.9
85.06551	5.9
87.04462	5.0
91.05489	16.1
93.07055	32.0
95.04977	6.6
95.08614	27.4
97.06548	5.0
97.10172	7.4
98.97864	4.7
98.98473	59.1
99.08113	3.8
105.07043	13.3
107.04921	2.3
107.08582	14.9
107.97280	2.6
109.06580	2.9
109.09397	3.4
109.10163	71.0
111.08092	8.8
117.06974	3.2
119.08602	14.1
121.10159	11.0
123.11710	6.8
125.09622	5.3
133.10165	7.5
135.11688	7.5
137.09624	10.2
137.13240	3.0
139.11215	13.4
141.12773	4.1
147.11710	7.9
149.13251	6.2
151.25784	2.4
155.10693	36.9
161.13245	4.1
165.12747	6.9
170.60460	2.3
173.11760	100.0
174.99239	5.8
177.12758	2.7
189.11253	3.2
199.14659	2.8
199.71504	2.5
211.13310	7.5
231.21245	2.7
259.20602	5.2
277.21683	35.9
295.22745	17.0
330.29965	9.0
331.07843	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	330.1916
Annotation	Europine
Peak:m/z	Relative Intensity
55.01875	1.4
55.05500	1.2
56.05051	1.1
56.96571	1.3
57.03440	1.6
58.06593	2.6
59.45786	1.0
60.04526	3.3
60.85235	1.1
65.25443	1.1
67.05508	2.5
69.03419	2.0
69.07076	1.9
70.02970	1.1
70.06609	9.4
70.41005	3.2
72.08166	4.9
74.06094	1.1
79.05492	3.9
80.05027	1.8
81.03432	1.9
81.07063	3.4
84.04501	1.8
84.08139	5.4
85.02915	3.0
86.09714	8.3
88.03986	1.7
91.05479	2.8
93.07047	5.6
94.06585	1.6
95.04990	1.8
95.08612	4.1
97.06575	1.4
98.06078	1.7
98.98477	100.0
101.07253	1.3
102.05521	1.0
105.07021	3.1
106.02916	2.9
106.06570	1.1
107.08604	4.0
108.08140	3.7
109.06525	1.4
109.10175	1.1
110.09714	3.0
111.08092	5.2
113.07149	1.3
116.03423	1.4
116.07122	4.5
116.99509	1.6
119.08578	4.6
120.08131	2.5
121.06537	3.7
121.08937	1.2
121.10155	1.3
122.09682	3.8
123.04463	2.0
123.10477	2.5
124.03957	13.0
124.11299	1.6
127.03967	2.0
128.07118	1.5
129.10251	2.4
131.08601	1.2
133.10161	2.3
134.09651	2.4
135.08116	2.6
136.07562	2.1
136.11217	9.2
137.09692	1.1
138.09167	4.1
138.12788	7.4
144.06557	1.3
145.04861	1.3
145.06395	1.3
146.09636	1.8
147.04375	1.5
147.11703	2.4
148.11227	4.2
150.05527	2.6
150.09206	2.2
150.12804	5.5
151.07477	1.2
151.11218	3.0
153.09129	1.4
164.10718	3.5
166.08708	2.8
166.12274	12.9
168.06570	4.4
168.10222	2.3
174.99251	3.6
175.11235	2.0
175.99631	1.4
176.10672	1.6
176.98976	6.0
180.10236	1.6
182.11774	6.2
184.09760	5.3
195.11305	1.4
210.11252	12.3
212.12834	67.4
231.98860	1.2
234.14873	1.6
235.28409	1.3
238.14313	1.8
241.72705	1.1
254.13936	1.8
268.15530	4.5
270.16995	9.0
280.15515	5.7
294.06293	1.9
298.16513	27.7
312.10843	1.7
312.18115	43.9
330.19186	67.8
331.19287	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1702
Annotation	Crassifolazonine
Peak:m/z	Relative Intensity
53.03931	1.5
55.05506	0.9
56.96570	0.8
58.31088	0.5
60.04512	1.1
62.91826	0.4
63.78726	0.5
66.04710	0.6
67.05484	1.3
69.07067	0.7
70.42822	1.8
74.06282	0.6
79.05504	8.1
79.11796	0.5
81.07030	1.9
91.05494	1.0
93.07031	0.8
94.04195	1.1
95.04974	0.9
97.06504	1.3
98.06873	0.6
98.98479	28.8
99.39439	0.5
103.05491	5.1
105.07042	21.3
107.08630	0.8
109.06532	1.2
120.05724	4.1
122.03665	1.9
126.03212	0.5
127.27274	0.5
129.06958	0.5
135.08067	62.9
137.06006	0.9
155.07028	2.4
165.05490	100.0
166.05856	0.9
173.95337	0.5
174.99246	2.1
176.98949	1.6
177.99194	0.6
192.10233	2.2
330.06812	1.0
330.17044	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	330.1704
Annotation	Dehassiline
Peak:m/z	Relative Intensity
51.44007	0.3
55.01879	0.3
58.06601	0.8
69.03458	0.3
70.56166	0.7
70.56508	0.4
72.08155	1.3
79.05495	0.5
81.07072	0.3
83.04956	0.3
91.05512	2.1
94.04171	0.8
95.04963	0.7
98.98474	1.3
107.04966	0.4
115.05478	5.2
117.07009	0.7
119.04950	1.0
119.08570	0.3
121.06517	0.5
122.03661	2.1
123.04437	0.4
125.05994	0.4
135.08112	0.4
137.05998	34.6
143.04944	18.6
145.06541	0.6
147.08160	0.4
149.05963	0.7
151.07549	4.4
160.05194	1.7
160.07570	0.4
161.05997	0.6
161.08334	0.3
163.07552	0.5
165.52097	0.3
167.08559	0.8
169.04980	0.7
171.14973	0.3
175.07574	13.7
177.07881	11.0
177.09146	0.4
178.08614	1.0
179.08521	1.8
181.06523	0.4
192.10219	100.0
193.10649	0.7
195.08116	1.2
195.11661	0.4
206.07300	0.4
207.08093	3.0
223.07558	0.8
224.08360	0.7
227.10687	1.3
235.07629	1.8
236.08455	0.5
239.10706	2.1
252.07719	0.4
255.10133	1.1
267.10208	3.1
268.11032	0.5
269.08029	0.4
287.12836	0.5
294.17624	0.4
296.68939	0.3
298.14468	0.5
299.12781	5.6
330.17026	66.2
331.17337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2689
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
53.03949	2.3
54.66998	0.8
55.01887	1.0
55.05515	31.1
57.03435	5.7
57.07078	22.2
59.04999	0.8
61.02939	1.8
64.05315	1.0
67.05140	1.0
67.05509	40.1
68.99799	4.8
69.07072	61.1
69.94105	4.3
71.04995	1.5
71.08635	10.3
75.04488	1.5
79.05068	1.8
79.05498	24.9
81.07063	63.5
83.04989	1.8
83.08625	33.9
83.61992	1.0
85.06547	2.6
85.10200	4.9
91.05483	2.8
91.07912	0.8
93.07053	31.6
93.23624	0.8
93.28908	0.8
95.04987	1.4
95.08615	36.1
97.06538	14.6
97.10175	21.9
98.98474	100.0
99.08083	1.6
100.98905	1.4
101.09647	1.1
103.03945	1.7
105.07063	3.1
107.07882	1.3
107.08600	23.9
109.10165	17.8
111.00817	5.5
111.08095	6.7
111.11713	6.7
113.09706	1.2
115.11247	2.0
116.99548	1.3
119.08609	1.0
121.10152	50.7
123.11712	19.3
125.09639	3.7
125.13319	1.4
127.11241	1.5
129.01846	30.2
129.05464	1.2
131.04964	1.2
131.83885	0.8
133.06476	2.8
133.10112	0.9
135.04451	5.3
135.11702	35.3
137.02390	1.0
137.13269	12.2
139.00278	12.5
139.11201	3.0
140.01051	1.1
141.12749	1.5
143.10646	1.4
145.06425	0.9
149.13277	18.0
149.14401	1.8
151.14905	2.4
153.01843	2.1
153.12799	1.8
157.01355	12.8
157.02550	1.3
157.06361	1.0
157.12283	1.5
161.06007	10.8
163.14822	7.3
167.07005	1.4
167.14311	2.5
168.13609	0.9
174.99226	8.7
176.99014	4.3
177.16428	3.5
185.08104	10.4
185.15350	1.9
187.07639	1.3
201.09128	1.1
205.08595	7.1
209.09631	1.2
217.03464	2.6
219.10226	1.0
219.21086	47.4
229.12274	1.8
237.22137	47.6
242.72839	1.0
245.08090	1.2
250.99915	1.8
252.99789	1.5
255.23210	6.9
266.08798	1.3
297.18637	1.1
311.25815	33.8
313.70297	1.0
329.06555	20.7
329.15631	1.9
329.21088	6.2
329.26801	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	329.269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.5
55.05271	1.8
55.05518	24.1
57.03426	3.8
57.07083	14.8
58.06590	1.9
61.72539	1.2
63.66124	1.2
67.05179	1.9
67.05512	29.2
69.06736	2.7
69.07076	34.3
70.57140	3.8
71.04971	1.5
71.08640	8.8
71.21732	1.3
71.96190	1.4
79.05090	1.3
79.05508	19.9
81.06592	1.8
81.07069	36.7
82.99580	1.3
83.04981	1.2
83.08624	30.7
85.06548	1.8
85.10184	3.1
91.05466	3.2
93.07056	21.7
95.08622	30.3
97.06542	12.7
97.10181	17.8
98.98481	100.0
105.07042	2.2
107.08604	20.2
109.10187	10.1
111.08078	5.0
111.11695	3.8
121.09339	2.4
121.10157	37.7
123.11737	10.2
129.01836	1.6
135.04417	4.0
135.11716	29.7
137.13292	9.0
149.13306	11.4
151.14854	1.8
153.12668	2.1
163.14832	4.7
174.84540	1.3
174.99297	11.2
176.98836	7.3
219.21111	39.7
237.22151	36.2
252.99693	2.0
255.23288	4.6
299.65140	1.3
311.25833	21.4
329.06708	11.9
329.15762	2.6
329.20798	1.4
329.26791	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	329.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02281	2.0
55.05507	7.4
55.79603	1.8
57.07063	6.9
57.48790	2.1
57.53463	1.9
57.81017	1.8
67.05510	12.9
67.07137	2.0
69.06745	3.3
69.07078	31.7
69.95418	3.4
69.95819	6.7
70.14808	1.8
79.05499	5.9
81.07066	38.6
83.08632	16.9
85.06549	4.4
93.07048	4.6
95.08614	41.6
97.06538	9.8
97.10174	9.1
98.98476	100.0
99.08090	5.4
107.08550	2.6
109.10179	23.5
111.11732	10.8
121.10165	2.4
123.11719	17.2
125.13284	7.9
135.11719	1.9
137.13281	11.2
149.13231	3.9
151.14828	6.5
165.16447	6.8
174.99344	9.6
176.99022	2.8
179.17923	3.8
190.22717	2.0
193.19489	2.4
215.10675	4.5
237.22067	2.1
275.27310	2.3
293.28302	13.7
302.39972	2.0
311.16388	2.3
329.06586	3.4
329.17535	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	329.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54187	0.9
53.03937	2.1
55.05508	2.1
57.07063	2.7
61.02930	1.8
65.71008	0.8
67.05511	7.9
68.99786	3.6
69.07074	81.8
70.07350	0.9
70.64966	2.5
72.94149	0.8
79.05502	9.6
81.07064	100.0
91.05463	2.1
93.07035	3.0
95.08616	26.3
95.90523	0.7
96.64762	0.8
98.98475	65.0
100.87733	0.8
103.05473	1.6
105.07042	11.1
107.04939	2.8
107.08609	2.3
109.10153	5.6
111.00793	2.7
115.05431	5.3
116.06255	1.1
116.99559	1.0
117.07021	2.5
118.73495	0.8
119.08612	1.0
121.10140	1.6
123.11745	6.3
128.06264	1.3
129.01848	15.8
129.07018	1.7
131.04919	2.4
131.08545	1.4
132.05716	1.1
133.06523	8.8
135.04393	2.0
135.11694	0.8
137.05992	1.7
137.13263	8.3
139.00237	5.6
139.10991	0.8
141.06976	4.9
143.04930	1.2
143.06012	1.0
144.05719	5.1
145.06537	4.7
154.07774	2.1
155.08586	1.0
157.01329	5.4
157.06512	2.8
158.07217	1.1
159.04405	1.5
159.08064	2.7
160.05173	1.1
161.05994	65.2
166.07774	0.9
167.07051	9.8
167.08604	2.8
169.06404	1.5
169.10139	4.8
170.07300	0.8
171.08032	1.3
173.06001	4.8
174.06784	0.9
174.99220	6.5
175.07498	4.1
176.98964	2.6
178.06282	2.2
181.06596	1.1
181.08607	1.3
181.10168	1.6
183.08092	1.5
184.08821	0.9
185.08073	3.5
185.09555	1.0
187.07603	5.4
189.09105	1.5
190.06305	1.6
191.07042	3.2
193.08614	5.0
195.08145	0.9
197.09619	5.3
198.10361	0.9
199.11124	0.9
201.09157	6.9
205.08618	50.0
206.09097	0.9
207.10205	1.7
209.09622	1.2
213.09166	2.4
214.09991	0.9
215.10750	2.0
217.08652	1.8
217.53938	1.0
217.62349	0.8
219.10303	5.0
221.11813	1.3
227.10703	3.3
229.12259	11.7
231.10193	1.5
233.11691	1.4
237.03145	0.8
241.12254	2.7
245.11819	1.7
247.13379	1.7
252.99686	1.1
259.13272	2.4
261.14938	0.8
273.14902	3.0
297.18533	9.4
329.06613	6.6
329.21121	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	329.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
57.07082	0.9
58.06604	0.4
61.02945	0.3
67.05508	2.0
69.07073	1.8
69.90491	0.7
69.90902	0.8
71.08640	0.4
71.44173	0.3
79.05504	1.6
81.07062	10.6
91.05499	1.3
92.47733	0.3
93.07040	0.6
95.08618	6.6
97.10175	0.3
98.98474	51.9
100.98891	0.4
109.02908	0.3
109.10178	0.5
111.11774	0.3
115.05462	4.6
116.99539	0.7
117.07026	13.9
121.06480	0.5
122.12904	0.3
123.11735	0.5
128.06210	0.5
129.07016	1.1
131.04970	0.5
131.08572	0.3
133.06509	0.7
134.07265	0.7
135.04433	2.8
135.11736	0.3
137.02368	0.3
137.13272	2.1
139.03845	0.4
140.01076	0.6
141.07024	0.3
143.08643	0.4
144.05669	0.6
145.06496	100.0
146.06818	0.5
146.58989	0.3
147.08063	2.2
153.01859	0.7
157.06451	1.3
157.10123	0.5
159.08061	1.5
161.05794	0.3
170.07259	0.3
171.08034	1.6
173.09637	0.6
174.99248	5.4
176.98936	1.9
184.08958	0.3
185.09628	5.8
187.11176	0.5
199.11183	1.7
209.09674	0.3
213.12785	0.8
242.47293	0.3
245.08182	0.4
252.99821	0.9
266.09036	0.4
269.18967	1.1
270.05341	0.5
285.07587	4.9
286.08749	0.3
286.30960	0.3
297.07480	0.8
298.04446	0.3
299.05518	0.9
300.06296	0.7
301.07126	0.5
308.17065	0.3
313.07065	6.3
314.07895	3.8
329.06494	7.7
329.10190	16.4
329.21341	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	329.1749
Annotation	CHEMBL595314
Peak:m/z	Relative Intensity
53.03935	0.9
54.49754	0.6
54.86190	0.5
55.01859	0.6
55.05511	2.1
57.07076	0.9
58.06588	1.2
67.05504	3.4
69.07068	4.0
70.60175	1.3
77.03901	0.6
79.05502	6.1
81.07050	4.4
83.04958	0.5
83.08619	0.8
91.05481	5.6
93.07053	19.8
93.07640	1.1
94.04214	0.8
95.04955	0.7
95.08617	8.6
98.98471	100.0
100.98898	1.0
103.05495	3.2
105.07038	6.7
107.04972	0.7
107.08599	22.2
109.06497	0.9
109.09506	0.6
109.10161	3.9
112.15432	0.6
115.05463	1.2
116.99496	1.8
117.03370	0.7
117.07023	9.7
119.04929	1.0
119.08596	5.7
121.06461	0.6
121.10153	2.2
122.03653	2.0
123.11733	0.5
125.75346	0.5
129.07024	2.0
131.04948	4.5
131.08569	6.0
131.12404	0.5
133.10130	3.6
135.04425	4.4
135.11699	18.0
137.05984	44.8
140.01074	1.3
141.06999	1.3
144.09341	1.8
145.02850	0.9
145.06519	3.0
145.10146	1.6
149.05977	3.1
149.13266	0.7
151.03915	2.4
151.07579	3.4
152.06248	0.6
153.01830	0.7
153.07056	0.9
155.00111	1.1
155.04918	0.6
157.06496	2.3
159.08133	1.3
159.11702	18.7
161.05998	2.1
161.13293	0.8
163.07561	3.1
165.09125	0.9
166.07806	0.6
167.07227	0.8
167.08601	3.0
169.06505	3.2
171.08061	1.2
172.05203	0.9
173.01154	1.5
174.99234	10.7
175.00696	0.8
175.07533	4.0
176.98900	4.6
177.05435	3.3
177.09099	2.5
181.06538	1.9
181.10112	1.0
183.08145	2.0
185.06004	0.9
187.07559	4.6
187.11145	0.8
189.05443	0.7
189.09108	5.0
191.07024	1.3
191.10675	0.8
195.08084	4.1
198.06841	0.5
201.09175	3.6
203.07150	1.2
203.10782	2.0
205.08606	0.6
205.12234	11.8
209.09554	2.8
212.08269	1.1
213.09114	4.4
215.07074	1.1
215.10663	1.7
217.08655	1.0
219.06615	1.0
219.10291	0.8
227.07204	0.9
227.10692	7.5
229.12346	0.8
233.08133	2.5
240.11569	1.2
241.12296	3.0
245.08044	0.9
251.00104	1.4
251.14368	3.0
252.99852	1.6
255.10367	0.9
259.09711	0.6
269.15378	0.7
273.11273	2.0
273.14825	1.4
283.16937	56.1
284.17239	0.8
293.15439	0.8
297.14987	0.8
297.18375	1.2
299.05331	0.7
311.16446	6.6
329.06613	11.4
329.17563	32.3
329.21124	3.5
343.23288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33383	0.4
53.10229	0.4
55.05524	0.6
58.06614	0.8
67.05502	0.9
69.07077	1.6
70.86793	0.3
70.96821	0.7
72.08144	0.6
79.05507	0.8
79.72060	0.3
79.72514	0.4
81.07066	6.1
83.08646	0.5
89.03934	0.4
91.05483	0.6
93.07041	0.5
95.08603	2.1
98.98475	71.0
100.98911	0.7
105.03429	0.9
105.07048	0.9
107.04942	0.8
109.10175	0.9
114.62631	0.4
116.99545	0.9
117.07029	0.6
122.03668	1.1
122.96457	0.4
133.02864	22.2
135.04417	2.3
135.11694	0.4
137.05989	4.7
137.13295	0.7
140.01103	1.0
145.06506	1.6
149.05966	1.9
150.03133	0.8
153.01845	0.8
161.02368	0.6
161.06030	0.5
165.05493	1.9
167.07062	1.2
174.99240	6.8
175.14792	0.4
176.98952	3.4
178.01407	0.2
178.02621	11.1
193.04980	100.0
194.05283	0.4
198.42270	0.3
205.08647	0.7
209.09697	0.5
219.10120	0.5
231.10114	0.5
233.11684	0.6
245.08185	0.6
251.00060	0.8
252.99728	0.8
266.08899	0.7
273.14972	0.5
329.06549	8.5
329.15790	1.2
329.21164	4.3
330.33667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1597
Annotation	Xylaroside A
Peak:m/z	Relative Intensity
53.03941	2.3
55.01875	1.3
55.05507	3.8
55.14956	0.8
57.03435	2.0
57.07079	1.3
58.06603	4.4
59.04997	2.8
65.03935	2.4
67.05512	9.1
68.99783	1.9
69.03436	5.1
69.07069	10.1
69.52758	4.0
69.53168	1.9
71.04986	1.7
79.05497	9.9
81.03419	6.9
81.06588	1.8
81.07063	28.4
83.04993	4.6
83.08604	4.0
84.16390	0.8
85.02908	4.6
85.06551	8.9
87.00842	5.3
87.04476	1.0
88.23804	0.8
88.31806	0.9
91.05507	5.2
93.03400	3.1
93.07052	22.8
95.04964	2.1
95.08614	40.0
97.02901	1.3
97.06528	4.2
97.10151	2.0
98.98474	100.0
99.04453	1.9
99.08129	4.4
105.01877	1.1
105.07053	6.6
107.04958	1.7
107.08620	6.8
109.02877	3.8
109.06537	2.7
109.10179	4.7
111.04456	3.4
111.08096	3.5
111.11699	0.8
113.05968	1.1
113.09650	3.0
116.99482	1.2
119.08604	6.9
121.06504	1.3
121.10153	26.1
123.08079	13.3
123.11692	2.4
125.05954	1.0
127.03902	2.4
127.07528	1.0
129.05444	1.3
131.08559	1.7
133.10123	3.6
135.11655	4.9
137.09598	3.0
137.13307	4.0
139.11194	5.1
141.09068	1.5
149.09634	32.2
151.03906	1.1
151.07579	3.1
157.12267	2.0
161.13275	10.9
166.95174	0.8
167.10701	8.4
174.99243	9.5
176.98915	5.0
177.05501	2.6
179.14322	14.9
181.05017	6.2
189.12798	1.3
197.15384	65.9
198.15768	1.4
207.13853	3.0
208.05084	1.1
218.46576	0.8
225.14856	5.2
237.07596	1.5
239.16434	3.3
243.15926	7.4
251.00224	0.8
252.99870	2.0
255.06654	1.4
265.14395	1.5
266.08978	3.2
267.15875	1.3
269.07745	0.8
283.15485	4.8
284.10181	1.1
293.13852	11.1
311.14819	11.9
315.08847	1.3
329.06485	1.9
329.10101	1.5
329.15878	12.0
330.11032	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1022
Annotation	3-Hydroxy-5,7,8-trimethoxyflavone
Peak:m/z	Relative Intensity
57.07080	0.5
58.06597	0.5
67.05508	1.0
69.07074	0.9
70.87752	0.6
72.53083	0.4
79.05479	0.8
81.07057	6.7
82.72219	0.4
91.05491	1.2
92.05882	0.4
93.07039	0.6
95.08614	3.5
97.47844	0.4
98.98473	76.7
100.98886	0.8
107.08600	0.5
108.05749	0.6
115.05457	3.7
116.99490	0.7
117.07033	8.1
119.04910	0.6
121.06514	3.1
124.01613	0.7
129.07005	0.6
132.05711	1.3
133.06502	1.4
134.07289	5.9
135.04431	3.3
137.05952	0.5
137.13274	1.4
143.08568	0.6
145.06493	65.9
147.08037	1.2
151.00288	0.5
152.01062	0.9
153.01822	0.8
157.06468	0.8
159.08043	1.2
167.61153	0.5
171.07962	0.9
174.99231	8.3
176.98952	3.8
185.09634	4.3
187.07527	0.4
198.01631	0.6
199.11224	0.8
242.05783	1.7
245.08209	0.6
251.00005	0.7
252.99742	1.0
256.07242	0.9
266.08850	0.7
268.07263	1.9
269.18985	0.7
270.05252	3.3
271.06003	1.9
283.06046	0.5
284.06793	1.3
285.07593	23.9
286.08243	1.2
296.06787	1.7
297.07617	5.2
298.04721	0.7
299.05502	1.7
300.06244	3.9
301.07013	1.3
311.05573	1.1
313.07071	34.1
314.07858	23.2
314.10706	0.4
329.06564	10.8
329.10184	100.0
330.10413	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1596
Annotation	Thymoquinol 2-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.09493	0.6
53.03944	0.7
55.01870	1.3
55.05504	0.9
57.03432	0.8
57.07072	1.0
58.06607	15.6
59.06930	2.0
65.03928	1.8
67.05172	0.8
67.05511	10.2
69.03436	3.3
69.72699	3.3
70.06596	1.5
71.04967	0.8
72.08160	0.6
73.02900	1.1
73.21524	0.5
77.10194	0.5
79.05064	0.9
79.05500	10.7
81.03418	2.0
81.06651	0.8
81.07069	9.2
83.04975	3.8
84.08120	0.8
84.85271	0.5
85.02910	7.4
87.04514	0.6
87.56902	0.6
91.05487	3.6
93.03403	2.5
93.06487	0.8
93.07058	15.1
95.04968	1.1
95.08607	4.9
97.02917	3.6
97.06522	2.6
98.98477	62.4
99.04442	1.3
105.03394	2.4
105.07032	3.2
107.04970	4.6
107.08620	5.3
108.05302	1.0
109.02882	1.1
111.04454	23.5
111.08092	0.8
116.99503	0.9
119.08583	0.7
121.06474	0.9
121.10155	25.6
123.04423	1.9
123.08059	0.6
123.11694	1.0
125.02364	0.6
125.06008	6.9
127.03910	2.1
136.07565	1.5
137.05981	2.7
139.11197	2.6
145.04984	1.9
145.06377	0.5
146.21846	0.6
149.09628	19.5
151.07576	1.0
152.08194	0.7
163.05998	0.7
167.10693	100.0
168.10968	0.7
174.99248	6.5
176.98894	2.9
177.05507	1.1
178.08643	0.9
179.08957	1.0
182.10503	0.7
187.07567	1.0
190.09502	0.8
192.08813	0.8
207.10205	0.6
209.09482	0.9
210.10049	0.7
223.07397	0.6
238.09508	0.7
252.07506	0.8
252.99792	1.1
265.08667	0.8
266.08972	6.2
284.10034	1.6
284.13583	2.3
293.13953	0.7
298.11514	1.1
299.11081	3.1
311.15033	1.3
313.12662	1.9
314.13489	2.0
329.06717	0.9
329.15771	24.8
329.19467	12.5
330.17038	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	329.0655
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
53.03935	0.9
58.06581	0.5
68.99796	0.4
70.68915	0.4
70.69245	0.6
77.03918	0.3
83.04989	0.5
83.71500	0.3
91.05469	0.3
92.02612	0.6
93.87526	0.3
93.98085	0.4
95.04971	1.1
98.98478	36.1
100.98949	0.3
105.04520	0.6
107.04959	0.7
109.02892	0.6
109.06471	0.3
109.85143	0.3
111.04442	0.4
115.05497	0.3
116.99509	0.5
121.06523	0.7
123.00800	0.9
125.02372	2.2
125.06001	0.9
128.06207	0.5
134.03636	0.4
135.04437	30.5
137.02350	2.9
139.03940	2.8
139.05434	0.3
147.04442	0.3
148.05199	0.3
149.05992	0.7
153.01852	8.6
157.06555	0.5
159.04489	0.7
160.05186	0.3
160.07506	0.4
161.05952	1.8
165.01834	0.6
169.06529	0.5
171.02948	0.8
171.08041	0.6
174.06763	0.6
174.99213	3.6
175.03925	0.5
176.98921	1.9
181.01308	1.0
184.05270	0.7
185.05959	1.8
187.07571	0.4
188.04729	0.4
193.01431	0.3
197.06107	0.6
199.02365	0.7
199.07562	0.8
202.06287	0.5
205.05002	0.4
209.09708	0.3
212.04797	0.8
213.05530	1.4
217.05104	0.4
217.08626	0.9
225.05421	0.4
227.06990	1.2
229.04984	0.5
230.05782	0.9
239.01823	1.0
240.04185	0.4
241.04991	0.5
244.03708	1.0
245.08116	5.1
245.10428	0.5
252.99847	0.6
255.06551	1.0
256.03693	0.4
258.05276	1.8
273.07538	1.9
284.03281	0.3
286.04712	2.1
299.02298	0.5
299.05508	3.1
300.06284	0.4
301.07053	6.2
301.10205	0.5
314.04126	1.3
329.06583	100.0
330.07013	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0657
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
53.03937	0.8
55.01876	0.3
57.03435	0.3
58.06607	0.5
63.08270	0.3
65.03967	0.3
68.99793	0.4
77.03943	0.3
79.05488	0.6
79.13729	0.2
81.03433	0.6
85.02888	0.3
91.05475	0.3
92.02641	0.6
95.04959	1.1
97.02876	0.3
98.98480	19.9
101.24574	0.3
105.04466	0.3
106.00878	0.2
107.04961	0.8
109.02895	0.6
111.04442	0.4
115.05504	0.3
119.04939	0.3
121.02834	0.3
121.06511	0.5
123.00819	1.0
125.02363	2.9
125.06045	1.4
125.06881	0.2
128.06224	0.4
129.07057	0.5
131.05016	0.2
132.05748	0.5
134.03633	0.3
135.04440	30.5
137.02347	3.2
139.03920	2.6
144.05763	0.4
147.04430	0.4
148.05249	0.5
149.02391	0.3
149.05893	0.4
153.00583	0.4
153.01843	8.3
156.05666	0.3
157.06567	0.3
159.04388	0.4
159.08067	0.4
160.05241	0.2
161.06003	2.4
165.01859	0.4
169.06537	0.6
171.02928	0.7
171.08066	0.7
174.06873	0.4
174.99226	2.3
175.03928	0.6
176.98961	0.9
181.01414	1.0
183.26935	0.3
184.05200	0.7
185.05978	2.0
188.04639	0.5
189.05502	0.3
197.06029	0.7
199.02379	0.5
199.07552	0.7
201.05521	0.4
202.06277	0.7
205.05040	0.4
212.04706	0.9
213.05470	1.4
215.07083	0.4
217.08664	0.5
221.37405	0.3
225.05424	0.5
227.06995	2.0
228.04189	0.3
229.05115	0.4
230.05751	0.8
240.04265	0.7
241.04919	0.6
244.03772	1.5
245.08130	5.2
252.99660	0.4
255.06596	1.0
256.03644	0.5
258.05252	1.6
269.04492	0.5
273.07581	2.3
284.03259	0.5
285.03885	0.3
286.04819	1.6
288.66003	0.3
299.05588	3.7
300.06213	0.5
301.07071	5.8
314.04221	1.1
329.06586	100.0
330.06927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2636
Annotation	Cordizine
Peak:m/z	Relative Intensity
52.54603	0.7
53.03936	1.2
54.18295	0.6
54.35101	0.7
55.01894	0.7
55.05524	1.5
57.07080	3.7
58.06608	5.7
67.05509	9.6
67.77285	0.6
69.07071	2.9
70.06612	1.0
70.47048	1.3
70.47392	1.7
79.05501	24.9
81.03411	0.9
81.07066	48.8
85.05283	1.4
91.04971	1.3
91.05491	15.0
93.07056	6.9
95.04978	3.5
95.08618	31.0
97.06516	1.4
98.06062	2.2
98.98478	52.5
105.07040	15.6
107.04980	2.2
107.08601	23.0
108.86691	0.7
109.06484	1.5
109.10175	2.2
112.11292	0.8
117.07014	1.2
117.72192	0.7
119.08586	5.6
121.10175	1.2
129.07040	1.6
131.08548	5.3
133.06523	1.5
133.10147	8.7
135.04459	1.2
137.13268	54.0
142.07773	1.2
145.10138	1.1
147.08055	1.4
147.11717	16.0
149.13261	2.6
154.15913	12.2
157.10201	1.4
174.99203	4.2
175.11214	4.1
176.98933	2.1
180.13921	0.8
191.08566	0.9
192.13860	7.7
221.17770	3.2
252.99762	1.7
253.33199	0.9
265.08633	5.9
283.09802	2.0
328.15726	7.9
328.26373	100.0
329.06552	3.1
329.26678	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0648
Annotation	Dalspinin
Peak:m/z	Relative Intensity
51.02375	0.0
53.03940	0.2
53.19635	0.0
55.01870	0.1
55.05508	0.0
57.03429	0.2
65.03607	0.0
65.03941	0.7
67.01865	0.3
67.05501	0.1
68.99437	0.1
68.99787	0.8
69.32674	0.3
72.08134	0.0
73.47725	0.0
77.03914	0.1
79.01856	0.1
79.05517	0.0
81.03419	1.2
83.01339	0.2
83.04984	0.1
84.08106	0.0
85.02430	0.1
85.02905	0.7
89.03918	0.1
93.03412	0.8
94.56026	0.0
95.01357	0.1
95.04974	0.2
96.70727	0.0
97.02895	0.1
98.20770	0.1
98.98471	2.3
99.04421	0.0
105.03404	0.3
107.01328	0.2
107.04988	0.1
109.02881	1.1
110.03660	0.1
111.00805	0.1
111.04439	0.1
115.05409	0.0
117.03380	0.1
119.04926	0.1
121.02871	2.4
122.86607	0.0
123.00816	0.1
123.04416	0.1
124.01597	0.1
125.02347	0.3
127.03943	0.1
132.39775	0.0
133.02853	0.4
134.03630	0.3
135.00790	0.1
135.03389	0.1
135.04417	1.3
136.05153	0.1
137.02347	3.2
137.03349	0.1
137.05975	0.1
138.03104	0.4
139.03889	0.1
141.01790	0.1
141.06953	0.0
142.70511	0.0
143.04857	0.0
147.04390	0.1
147.31987	0.0
149.02342	4.6
151.03856	0.1
152.01018	0.1
152.06253	0.1
153.01839	0.8
153.07018	0.2
157.06506	0.0
161.02344	1.9
161.05942	0.1
163.03925	0.2
163.05269	0.0
165.01834	1.1
165.05461	0.0
165.07095	0.0
166.02623	0.4
167.03406	5.1
168.03860	0.0
169.05133	0.0
169.06447	0.1
170.02089	0.1
171.02890	0.0
174.99226	0.2
175.03882	0.1
176.04796	0.0
176.98972	0.1
177.01833	2.8
178.02426	0.0
178.08615	0.1
179.03403	0.5
179.09001	0.1
181.06430	0.3
183.02916	0.2
184.03658	0.2
184.05144	0.1
185.05922	0.0
187.07672	0.1
189.05461	0.1
192.10233	0.1
193.05038	0.0
195.02904	2.9
197.06015	0.1
198.06631	0.0
199.03882	0.0
199.07538	0.1
202.06247	0.0
203.03387	0.2
208.05110	0.0
209.06091	0.2
211.07527	0.1
213.05492	0.1
215.07059	0.1
216.04222	0.1
216.07933	0.1
217.05022	0.1
218.05841	0.2
219.06480	0.1
225.05405	0.1
226.06342	0.1
227.07014	0.5
229.04938	0.3
230.05624	0.1
231.06511	0.3
237.05467	0.3
239.07094	0.0
241.04939	0.1
243.06459	0.4
244.07292	0.3
245.04457	1.8
254.05763	0.1
255.06512	2.0
256.07004	0.1
257.04443	0.1
257.08105	0.1
258.05264	0.9
259.06058	0.1
263.05405	0.2
265.05048	0.2
269.04376	0.2
271.03021	0.1
271.06003	1.5
272.06784	1.8
273.07159	0.1
282.05170	0.2
283.06018	10.7
284.06567	0.2
285.03903	0.5
285.07501	0.2
286.04715	3.6
287.05444	0.1
293.04529	0.1
299.05505	8.8
300.06281	13.2
301.07034	1.1
311.05502	7.3
311.08240	0.1
312.06015	0.1
314.04080	0.1
329.06540	100.0
330.06851	1.3
332.05304	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	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	29.4
57.03434	16.2
58.04242	4.6
64.71789	3.9
67.05181	5.4
67.05508	67.3
69.03452	5.4
69.07076	44.1
71.04994	12.4
79.05508	48.8
81.03422	8.1
81.06596	5.6
81.07066	100.0
83.04978	13.3
83.08624	14.3
85.06514	5.4
91.05495	35.1
93.07066	46.8
95.04956	15.1
95.08627	35.9
97.06518	16.4
97.10165	7.1
98.09669	5.5
98.98479	70.7
105.07036	39.8
107.04939	4.6
107.08598	37.8
109.06475	8.1
109.10165	15.7
111.08055	9.7
117.07006	9.1
119.08582	35.1
121.10151	22.9
123.04429	15.9
123.08070	8.5
123.11698	7.0
124.04749	11.3
125.09619	6.7
129.07011	4.4
131.08545	15.7
133.10127	29.2
135.11703	24.9
137.05946	15.5
137.09610	7.6
138.06303	9.2
139.11191	5.7
145.10107	11.3
147.11694	20.2
149.09578	6.9
149.13216	13.8
155.08615	3.9
157.10208	6.5
159.11719	9.7
161.06017	6.4
161.13260	4.6
163.11168	8.4
171.11780	8.5
173.13322	7.4
174.99246	6.2
181.12215	24.0
188.07982	6.9
195.13824	16.5
204.08989	6.0
212.07848	6.2
229.19547	4.8
232.08382	10.3
240.07346	5.4
249.08554	6.3
250.09488	8.2
257.07852	14.7
257.18967	6.0
258.08380	18.9
275.20068	48.5
277.08270	5.1
278.08957	16.0
284.10004	4.7
292.10498	11.4
293.21136	10.4
295.09253	6.2
298.11627	6.7
310.11575	20.1
328.12646	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	328.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.05517	11.0
57.03436	3.4
57.07075	1.7
58.06591	2.4
67.05514	34.9
69.03421	2.1
69.06770	1.3
69.07079	10.7
69.96222	5.2
70.25967	0.9
70.69565	0.9
71.04986	3.3
71.25472	0.9
73.34676	0.9
75.90522	0.9
79.01313	1.0
79.05500	26.3
81.03420	4.6
81.07069	24.5
83.04983	2.9
83.08630	9.4
85.06562	2.1
91.05495	21.0
93.07053	30.8
95.04994	8.2
95.08612	14.4
97.06541	2.6
97.10194	6.3
98.98476	100.0
105.07045	14.2
107.08604	18.7
109.06509	2.5
109.10168	17.5
111.08089	1.7
116.99527	1.3
117.07010	4.4
119.08598	15.2
121.10152	13.4
123.08086	3.0
123.11704	3.1
125.09667	5.2
126.28213	1.1
129.07028	1.3
131.04836	1.1
131.08588	7.1
133.10153	9.8
135.08076	1.6
135.11713	4.4
137.09616	9.7
139.11209	1.5
143.08553	2.1
145.10127	4.4
147.11734	5.0
149.09627	1.9
151.11160	1.4
155.10683	5.4
157.10101	1.3
159.11719	3.5
161.13202	1.7
163.11176	1.8
166.02133	1.1
171.11775	1.8
172.13374	1.3
173.11768	8.1
173.13243	2.0
174.99287	9.4
175.11226	1.7
175.99638	2.0
176.98990	3.0
181.12263	2.0
189.11279	3.8
193.12224	2.0
194.49072	1.1
195.13872	1.6
211.13251	1.8
223.13304	2.4
235.16924	1.7
239.18013	1.5
257.19092	1.9
265.08597	1.4
275.20142	13.5
285.54630	1.1
328.15637	2.1
333.67297	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
58.06602	4.8
59.05004	18.5
60.04530	1.1
61.02915	0.8
61.56433	0.7
69.03436	1.8
69.68500	4.1
70.06607	5.3
72.08163	6.9
73.06558	100.0
74.06087	0.9
80.84050	0.7
81.03403	0.8
84.04517	0.8
84.08147	3.5
85.02910	7.5
85.86753	0.6
86.09704	8.7
91.05486	1.3
93.07083	0.9
97.02913	1.7
98.98474	36.6
99.04471	0.9
103.05499	1.3
109.02877	0.7
110.07178	2.5
116.07093	7.5
117.07037	1.3
117.09161	4.1
119.04964	0.8
120.08109	5.7
124.53881	0.6
127.03983	1.3
129.10226	1.1
131.10687	12.1
131.11545	1.0
137.06007	1.8
143.33771	0.8
145.04932	0.7
148.04897	0.7
148.07619	1.9
149.11745	44.7
174.99289	3.1
176.98975	1.1
181.04967	7.6
185.16559	2.8
187.14497	0.9
190.08643	5.5
192.10191	1.2
195.03000	0.8
200.91028	0.6
205.06546	2.2
209.09723	0.6
211.07524	1.1
213.16122	1.4
222.06812	0.9
223.07428	1.3
226.09882	0.8
227.51640	0.8
235.07356	0.8
237.09157	3.0
251.06934	0.9
254.75688	0.8
265.08649	9.2
266.09348	0.8
283.09576	1.9
297.11191	1.9
328.15472	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	328.1907
Annotation	Laurifonine
Peak:m/z	Relative Intensity
55.01882	0.4
56.05043	0.6
58.06602	89.4
58.66677	0.3
59.06938	0.4
62.50203	0.4
70.65721	0.5
70.66050	0.9
72.08166	0.7
79.05499	0.8
81.03439	0.4
81.07055	0.6
91.05463	1.8
93.07051	0.9
95.04980	0.6
98.98468	9.9
105.07058	1.7
107.04990	0.7
109.06492	0.5
109.10202	0.4
110.07176	0.4
115.05483	1.7
117.07036	0.4
119.04930	0.4
121.06508	38.8
121.10160	0.6
122.06819	0.4
135.08080	4.3
137.05977	4.3
143.04918	5.8
144.05798	0.6
145.06506	0.8
147.08072	0.5
149.06007	0.7
149.09653	0.7
151.07545	2.1
159.08093	2.6
160.05272	1.3
161.09755	0.6
163.06274	0.5
165.07117	0.7
166.05058	0.6
167.08745	0.5
174.99237	0.9
175.07545	7.0
176.99043	0.5
178.08673	3.6
179.08624	0.6
181.06523	0.8
181.10185	0.7
191.08510	2.2
192.10197	3.0
193.11053	0.6
194.07437	1.2
195.08047	0.6
205.06578	1.1
207.08060	0.8
208.08905	1.7
209.09747	1.6
219.08128	1.4
222.06882	1.4
223.07668	1.6
223.11229	3.0
225.12862	0.8
237.09167	2.6
251.07037	2.2
251.10735	3.2
253.08676	0.6
253.12379	1.5
255.10385	0.6
256.11072	0.7
265.08597	18.0
268.11105	0.8
283.09851	4.9
283.13449	10.1
283.16251	0.6
284.13901	0.4
285.11694	0.8
285.14819	3.9
298.10898	1.7
312.12473	0.7
313.13116	1.0
313.16724	0.4
328.15536	31.7
328.19281	100.0
329.19702	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1911
Annotation	Colchiethine
Peak:m/z	Relative Intensity
53.03937	0.7
55.05504	0.6
56.96566	0.5
58.06607	30.4
67.05500	2.0
69.03432	0.7
69.07104	0.5
71.52654	0.7
72.08145	1.2
77.03918	0.5
79.05492	1.7
81.03423	1.2
81.07064	2.3
83.04969	0.7
85.02901	0.7
86.09708	1.6
91.05498	4.0
93.07050	2.6
95.04982	0.8
95.08652	0.6
96.08150	0.9
96.08949	0.5
97.02904	0.7
98.98476	42.9
100.11288	0.6
103.05488	0.8
105.07059	3.1
106.90954	0.5
107.04947	1.1
107.08620	1.0
109.02901	1.0
109.06517	1.0
109.10155	0.9
110.10496	1.0
114.09187	1.9
115.05462	1.0
116.99523	0.6
119.04950	1.1
119.08614	1.0
121.06516	92.2
121.10144	1.9
122.06858	1.1
128.06252	0.7
129.07010	1.0
133.06505	1.0
135.08060	10.3
135.09006	0.8
136.05251	0.7
137.05974	0.8
143.04916	1.2
144.05698	3.0
145.06511	1.7
147.04364	1.3
147.08073	1.7
148.04781	1.4
149.09634	2.2
151.07564	10.2
158.07292	5.0
159.04518	1.2
159.08078	9.2
161.09625	1.1
163.07585	1.1
165.07054	1.0
165.09087	2.4
166.07684	0.8
170.15457	0.9
174.06790	7.3
174.99242	4.0
175.07646	1.2
176.10866	0.6
176.98970	1.1
177.09177	0.8
178.08737	1.0
179.08557	0.7
181.06496	0.7
181.10147	1.2
189.09120	16.9
191.08585	4.5
191.10219	0.7
192.10249	1.6
194.07269	1.0
195.08083	2.0
198.14969	0.8
205.06474	2.5
206.11755	2.4
207.08121	1.5
208.08932	0.8
209.09647	3.1
210.10426	0.5
211.11220	0.5
219.08089	1.8
222.06767	2.2
223.07497	3.3
223.11136	1.0
225.09085	0.6
225.12737	1.5
233.05922	0.9
234.10414	0.5
235.11243	1.2
237.09135	4.1
238.09952	1.3
239.10742	1.6
250.06296	0.9
251.07092	5.1
251.10678	4.9
253.12314	1.4
254.13013	1.3
255.10185	1.6
265.08618	35.1
266.08929	0.7
266.09973	0.6
266.13013	9.1
267.10226	1.8
268.07358	1.8
270.12332	0.6
282.12521	4.1
283.09692	9.2
283.12875	0.7
285.11572	0.9
285.14932	3.3
297.14853	21.7
298.10779	0.9
299.16376	1.4
310.23862	0.6
313.13358	0.9
328.15411	49.2
328.19131	100.0
329.15820	0.9
329.19403	1.3
340.90692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1906
Annotation	Leonticine
Peak:m/z	Relative Intensity
58.06601	96.3
59.06939	0.9
69.78928	1.9
70.06597	1.4
70.70797	0.4
79.05494	0.6
81.07066	0.5
91.05502	1.8
93.07033	0.7
95.04974	0.8
98.20792	0.7
98.98465	6.5
107.04957	36.2
119.04987	1.1
119.71586	0.4
121.06515	3.1
121.10132	0.5
131.04951	0.4
133.06569	0.9
136.05263	0.5
137.05998	1.0
139.57649	0.4
145.06503	4.6
147.08104	1.7
149.09697	0.5
150.06821	0.4
151.07542	7.6
158.07333	1.4
161.05977	0.8
161.09624	0.4
163.06343	2.9
163.07620	2.5
165.07141	0.5
165.09196	1.7
174.06807	3.1
174.99284	0.7
176.07082	0.5
176.08424	0.6
177.09187	1.4
178.08644	20.2
179.08594	0.7
181.06670	0.5
181.10097	0.6
189.09116	6.9
189.10718	0.5
190.12326	0.6
191.08461	2.1
194.07321	0.5
195.08064	0.7
198.53993	0.4
205.06523	1.1
206.11755	2.3
207.08226	0.5
209.09677	2.1
219.08148	0.9
222.06866	1.1
223.07654	1.7
235.07515	0.6
237.09100	2.9
250.06108	0.5
251.07069	2.5
251.10980	0.5
252.11479	3.3
253.08636	0.5
255.10179	0.8
256.11227	0.5
265.08597	19.7
266.09232	0.4
266.89258	0.4
268.07507	0.8
268.11099	2.8
270.12616	0.4
283.09814	4.9
283.13422	14.8
284.13290	0.6
285.14841	4.5
296.12817	0.5
298.10751	4.4
312.12280	2.3
313.13129	3.2
313.16360	0.5
328.15540	53.5
328.19260	100.0
329.15942	1.4
329.19540	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	11.5
60.03913	0.9
67.05489	1.0
69.07065	1.1
69.21069	9.4
70.06590	0.9
71.07355	1.7
72.08160	1.3
79.05502	12.1
81.07052	3.2
85.02638	0.9
91.05475	2.5
95.04964	0.9
95.08618	2.0
98.98476	88.2
100.07720	0.8
105.07063	1.9
107.08616	8.8
116.99500	1.7
133.10149	1.6
135.04436	1.3
139.09912	2.4
140.01067	1.2
147.11702	1.5
161.08112	1.0
174.99304	7.7
175.99533	1.4
176.98911	1.4
197.63144	1.0
200.32510	1.0
221.10297	1.8
223.07541	1.2
246.18544	2.7
265.08688	11.7
268.16757	100.0
283.09680	4.0
293.70160	1.0
328.15338	19.3
328.18845	67.3
328.29407	1.7
328.32635	1.5
329.06741	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	328.1546
Annotation	Caseamine
Peak:m/z	Relative Intensity
57.03410	0.4
58.06608	11.5
58.31548	0.3
60.04530	0.4
65.50848	0.3
69.62816	1.2
69.63240	0.5
70.06596	4.3
70.33969	0.3
72.08145	0.6
81.07072	0.3
84.08153	0.4
86.09691	1.0
87.12408	0.3
91.05494	4.3
93.07037	0.4
95.04963	1.8
98.98472	10.1
105.07006	0.4
107.04980	2.2
107.08575	0.3
115.05482	0.4
119.04948	4.1
123.08018	0.4
124.58912	0.3
136.05182	0.6
137.06020	1.9
145.06491	0.4
146.06044	0.3
151.07550	12.9
161.05948	0.3
163.06299	14.1
164.07030	1.0
169.13354	0.9
174.99231	1.4
175.07523	0.3
176.07146	2.4
178.08643	87.9
179.08846	1.2
181.10156	0.5
189.09132	0.3
190.08641	1.1
191.08444	2.3
194.07314	0.7
195.08124	0.7
197.12828	0.9
205.06535	1.0
207.08087	0.8
208.08833	0.5
209.09602	1.5
219.07999	1.4
222.06834	1.8
223.07568	1.0
233.05960	0.7
235.07542	0.6
236.08322	0.6
237.09082	2.4
247.07535	0.4
250.06386	0.5
251.07173	1.1
251.10619	0.5
253.08565	0.3
265.08615	11.6
268.07404	0.4
269.11847	0.3
270.11325	0.4
279.10168	0.8
282.08774	1.8
283.09644	2.5
283.12949	0.5
284.10214	0.5
285.11243	0.4
296.09933	0.4
296.12967	1.7
296.18301	0.5
297.11243	5.3
298.10803	1.6
311.12888	0.4
312.12296	2.2
313.13141	5.0
328.15454	100.0
329.15683	1.4
337.42325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1546
Annotation	Caseamine
Peak:m/z	Relative Intensity
58.06607	34.4
64.33783	0.4
66.60323	0.5
69.32324	3.0
91.05491	3.2
95.04990	0.9
98.98466	1.8
105.07024	0.9
107.04967	12.7
111.43750	0.4
119.04936	2.6
121.06526	1.3
133.06514	0.7
136.76508	0.4
137.06013	0.9
144.05734	0.4
145.06499	1.6
147.08047	0.5
151.07559	11.1
158.07359	0.6
163.06314	7.8
163.07559	0.9
165.09117	1.2
174.06813	0.8
176.07063	1.6
176.08411	0.6
177.09114	0.5
178.08650	55.3
179.08908	0.5
189.09181	1.9
190.12090	0.4
200.01680	0.4
206.11766	0.6
209.09569	0.8
219.08127	0.8
222.06902	0.6
223.07413	0.6
226.56979	0.5
237.09142	1.7
251.07047	1.2
252.11543	1.7
253.08594	0.4
265.08606	9.0
268.10886	1.0
270.11407	1.6
283.09576	1.7
283.13318	3.7
285.11591	0.4
285.14835	1.8
296.12894	1.4
297.09976	0.5
298.10751	18.7
312.12369	6.7
313.13116	11.5
313.16153	0.3
328.15451	100.0
328.19150	31.7
329.15872	1.4
329.19531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
54.57041	0.2
55.01841	0.7
55.05500	0.3
56.30409	0.2
57.03422	0.3
58.06605	2.8
59.04970	0.7
60.04505	0.7
62.64598	0.2
65.03943	3.8
67.01850	0.2
67.05511	2.1
68.99765	0.2
69.03409	0.8
69.07047	0.5
69.39748	1.4
70.06599	1.5
71.04985	0.3
72.08154	2.1
73.06567	1.8
79.05498	0.9
81.03393	0.6
81.07035	0.4
82.04207	1.5
83.04967	0.5
84.04501	1.2
84.08121	0.4
85.02915	3.2
86.09709	1.8
88.03999	0.4
91.05465	0.8
93.03403	1.2
93.07026	0.4
95.04953	0.7
97.02886	0.6
97.06527	1.6
98.98475	9.2
102.05537	0.5
105.07023	0.4
106.05031	0.6
107.04954	0.4
108.02090	0.9
109.06553	0.3
110.03674	1.9
111.04485	0.9
114.03130	0.2
115.05463	0.2
116.07105	1.8
117.07021	1.2
119.08567	0.4
120.06566	0.4
120.08092	0.3
121.06541	0.2
121.10183	0.2
122.02731	0.3
123.00806	0.3
125.05982	1.5
129.05437	0.2
129.07117	0.2
130.05019	3.4
131.08592	0.2
131.10704	0.3
133.06540	0.3
135.08127	0.3
138.03140	1.2
138.09036	0.2
142.02631	2.3
145.10213	0.2
147.08060	1.0
149.09589	0.2
149.11731	0.9
153.05484	2.0
157.04987	0.3
159.08127	0.2
163.07558	0.4
166.05002	0.3
166.08687	0.3
170.02100	0.2
171.06541	2.7
173.09525	0.2
174.99271	0.7
175.99599	0.3
176.99017	0.2
177.09117	0.5
177.11040	0.2
181.04973	100.0
181.97926	0.2
182.05328	0.6
185.16502	0.7
190.08693	1.6
191.08711	0.2
195.10204	0.2
205.06633	0.4
205.08627	0.3
207.10106	1.0
213.15977	0.4
223.07492	0.5
233.06003	0.3
237.09190	0.6
248.16530	0.4
251.07016	1.4
265.08661	2.2
268.07431	0.4
282.13324	0.3
283.09787	1.3
292.15503	0.2
297.11270	0.3
310.12915	0.4
310.16238	0.4
328.09784	0.4
328.15497	6.9
351.02774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50201	0.1
55.31038	0.1
57.25717	0.1
57.82612	0.1
66.58237	0.1
68.99796	0.2
69.48801	0.9
98.98474	5.2
104.10329	0.1
152.06300	0.1
153.06953	0.3
154.07722	0.1
155.08574	0.2
157.06493	0.4
159.08038	0.2
165.07024	0.8
168.05817	0.1
169.06531	0.2
171.08049	0.4
174.99254	0.6
175.99539	0.2
179.08612	0.2
181.06480	2.2
182.07272	1.1
183.08058	0.9
184.05208	2.2
185.06001	0.2
185.09657	0.1
193.06494	0.4
194.07272	0.4
194.76846	0.1
195.04381	0.1
195.08058	1.1
196.05234	0.4
196.08867	0.4
197.05992	0.8
198.06725	0.2
199.07527	2.9
208.08846	0.5
209.06020	1.5
210.06755	2.0
211.07555	12.3
212.04782	0.5
212.08260	0.5
213.05579	0.2
213.09073	0.6
214.09911	2.3
221.05969	0.3
222.06839	0.3
223.07555	0.7
224.08340	1.9
225.05482	0.5
225.09128	5.9
226.06374	1.3
226.09901	1.5
227.07039	13.2
227.10718	0.6
228.07639	0.3
229.08603	0.3
231.06624	0.2
236.08324	0.3
237.05498	0.6
238.06139	0.7
239.04535	0.2
239.07047	10.2
239.10574	1.5
240.07800	1.8
241.08604	16.5
242.09380	6.0
243.06577	0.6
251.07039	0.6
252.07838	1.0
253.08615	2.8
254.09398	42.2
255.06548	15.1
255.09958	1.5
256.07098	0.3
257.08151	0.4
257.11710	1.1
267.06628	0.9
267.10132	1.2
268.07468	0.2
268.11008	0.4
269.08109	5.0
270.08884	33.2
271.09348	0.8
281.08023	0.9
282.05731	0.2
282.08896	5.3
283.06042	1.2
283.09674	0.8
284.10449	8.9
285.11227	34.5
286.11530	0.4
295.09650	1.3
296.10406	0.3
298.08420	5.7
298.11969	0.6
299.09103	0.3
313.10709	51.8
314.11105	0.9
328.13058	100.0
329.13464	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92133	0.4
56.96568	16.7
56.96847	1.0
60.95827	0.4
64.84110	0.4
69.03423	0.6
69.58000	0.4
70.06601	2.3
70.59453	1.0
70.98145	0.5
71.60571	0.4
71.95251	1.7
72.72890	0.4
72.96027	0.6
79.05466	0.4
79.08857	0.4
83.97630	0.7
84.08147	3.5
84.96043	1.1
85.02892	1.7
86.09698	1.1
97.06527	0.5
98.97588	31.8
98.98441	1.6
110.97566	1.7
112.92220	0.5
113.03490	0.6
115.00715	0.4
116.07055	0.5
116.97829	0.7
116.98628	9.1
118.78160	0.4
119.01935	0.5
124.00740	0.7
124.11206	1.5
126.02265	0.9
130.93311	2.4
134.99629	1.7
140.03836	1.1
142.05403	1.2
144.03369	0.5
150.05510	1.9
154.01633	0.6
154.93266	1.3
155.94138	0.7
158.04913	0.9
158.92714	0.6
158.99625	0.6
160.06473	1.2
166.07248	1.6
170.04871	0.8
170.99602	0.6
172.02695	1.7
172.94365	40.1
174.99272	0.6
188.05959	0.7
189.03506	0.6
190.03717	2.2
190.95413	17.1
196.94398	0.6
198.95955	0.6
204.50993	0.5
206.06972	1.0
208.96452	2.8
214.03804	2.7
214.95407	55.8
216.97018	1.1
219.01761	0.7
221.01729	0.5
222.98087	0.4
226.03807	0.8
230.98286	0.7
232.04921	1.3
232.96471	100.0
237.55246	0.8
242.07059	1.1
242.93523	0.8
245.62578	0.4
247.54420	0.5
247.95216	0.6
248.99231	1.5
250.97531	30.7
255.98141	1.5
256.96609	0.5
260.94736	1.7
268.04797	0.5
269.96063	1.0
272.26059	0.4
274.97513	1.0
278.95859	1.3
284.08139	1.1
286.02716	0.7
287.97113	2.7
304.03827	1.0
304.98593	0.6
305.98212	1.0
310.08633	1.0
328.03671	21.2
346.04861	81.4
347.05209	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.05518	4.2
57.07075	2.7
58.06590	1.1
59.05008	0.7
67.05503	0.9
69.03433	0.7
69.07076	16.5
71.08648	0.9
71.53368	0.5
79.05492	0.9
81.07050	1.5
83.08617	1.5
87.04469	0.9
89.06039	0.5
91.05513	0.8
93.07049	1.8
95.08606	1.9
97.06508	0.6
98.98474	100.0
105.07061	0.6
107.08575	1.2
109.10179	0.5
111.11726	1.8
116.99510	2.3
119.08624	0.5
135.11703	0.7
139.11195	13.6
140.01067	0.7
147.11687	0.6
152.06218	0.8
153.12791	1.3
157.12253	1.4
172.69250	0.4
174.97725	0.6
174.99242	13.3
175.00685	0.8
182.46228	0.4
216.01849	0.6
233.03641	0.6
251.00032	2.2
327.07822	1.0
327.19440	0.7
327.25122	1.4
327.28726	0.7
327.31030	0.7
328.15396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35443	0.4
53.03937	0.9
55.01889	0.5
55.05518	3.8
57.03452	0.6
57.07090	2.6
59.05008	0.7
67.05509	5.3
69.03429	1.2
69.07076	12.2
69.62395	1.3
69.62822	1.3
69.72430	0.5
71.04981	1.3
71.08625	1.6
77.01618	0.6
79.05506	3.4
81.03420	0.5
81.07066	24.0
83.04984	0.4
83.08624	4.5
85.02933	0.5
85.06561	3.9
89.06017	0.4
91.05503	2.1
93.07056	7.5
93.29747	0.4
95.08618	15.7
95.70145	0.4
97.02930	0.4
97.06555	2.1
97.10185	2.0
98.98477	100.0
99.08112	1.3
100.11253	0.6
105.03419	0.4
105.07042	3.7
107.08612	7.4
109.06547	0.8
109.10176	8.9
111.08085	5.8
111.11739	2.1
116.99527	1.2
119.08595	1.7
120.08115	2.2
120.40961	0.4
121.06538	0.9
121.10142	4.1
123.04444	0.5
123.11716	8.1
125.13293	0.6
133.10150	1.2
135.11705	3.2
137.05960	3.2
137.13277	5.0
139.11177	0.7
140.01018	0.6
147.10652	0.4
147.11696	2.5
149.13286	4.1
151.07503	0.7
151.14810	1.0
153.12790	2.3
155.14352	1.4
161.13322	1.0
163.14857	1.4
165.05502	0.5
165.12756	1.8
165.16437	0.5
167.14426	0.7
174.99252	14.4
176.07001	0.5
177.16454	1.2
179.14301	0.6
183.13756	0.5
189.09149	0.6
203.17961	0.5
217.19627	0.7
221.06110	0.5
249.09291	0.7
251.00079	2.9
257.97684	0.4
261.25778	0.6
277.08652	0.8
279.26898	1.1
281.11838	0.5
287.06854	1.2
291.26755	2.9
295.09760	0.7
309.11264	0.8
309.16748	0.4
309.27911	2.4
327.04877	0.6
327.08517	0.8
327.12305	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35443	0.4
53.03937	0.9
55.01889	0.5
55.05518	3.8
57.03452	0.6
57.07090	2.6
59.05008	0.7
67.05509	5.3
69.03429	1.2
69.07076	12.2
69.62395	1.3
69.62822	1.3
69.72430	0.5
71.04981	1.3
71.08625	1.6
77.01618	0.6
79.05506	3.4
81.03420	0.5
81.07066	24.0
83.04984	0.4
83.08624	4.5
85.02933	0.5
85.06561	3.9
89.06017	0.4
91.05503	2.1
93.07056	7.5
93.29747	0.4
95.08618	15.7
95.70145	0.4
97.02930	0.4
97.06555	2.1
97.10185	2.0
98.98477	100.0
99.08112	1.3
100.11253	0.6
105.03419	0.4
105.07042	3.7
107.08612	7.4
109.06547	0.8
109.10176	8.9
111.08085	5.8
111.11739	2.1
116.99527	1.2
119.08595	1.7
120.08115	2.2
120.40961	0.4
121.06538	0.9
121.10142	4.1
123.04444	0.5
123.11716	8.1
125.13293	0.6
133.10150	1.2
135.11705	3.2
137.05960	3.2
137.13277	5.0
139.11177	0.7
140.01018	0.6
147.10652	0.4
147.11696	2.5
149.13286	4.1
151.07503	0.7
151.14810	1.0
153.12790	2.3
155.14352	1.4
161.13322	1.0
163.14857	1.4
165.05502	0.5
165.12756	1.8
165.16437	0.5
167.14426	0.7
174.99252	14.4
176.07001	0.5
177.16454	1.2
179.14301	0.6
183.13756	0.5
189.09149	0.6
203.17961	0.5
217.19627	0.7
221.06110	0.5
249.09291	0.7
251.00079	2.9
257.97684	0.4
261.25778	0.6
277.08652	0.8
279.26898	1.1
281.11838	0.5
287.06854	1.2
291.26755	2.9
295.09760	0.7
309.11264	0.8
309.16748	0.4
309.27911	2.4
327.04877	0.6
327.08517	0.8
327.12305	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.1
55.05525	11.2
57.03424	3.3
57.07070	4.9
59.04990	2.7
67.05247	2.0
67.05510	22.7
69.07072	12.1
70.02132	9.8
71.04964	3.3
79.05499	15.2
81.03413	5.3
81.07066	31.3
83.05000	2.1
83.08615	5.7
85.06535	4.8
91.04977	3.0
91.05489	31.7
93.07053	62.1
94.55152	2.1
95.04377	3.3
95.04977	62.4
95.08614	48.8
97.06533	15.7
97.84521	1.9
98.98476	100.0
103.05457	2.7
105.07042	56.0
107.08598	31.1
109.06513	8.5
109.10171	16.7
111.31593	2.0
115.05463	2.8
117.07046	13.5
119.08603	54.0
121.06509	14.3
121.10158	29.1
123.08078	11.8
123.11684	5.3
128.06219	5.0
129.07013	6.3
130.07817	5.0
131.08578	18.1
133.10143	36.5
135.08041	7.9
135.11737	10.2
137.09573	5.0
141.07014	2.4
142.07782	7.6
143.08571	17.9
144.09319	6.4
145.10146	37.2
147.11681	12.4
149.09613	5.3
149.13232	2.8
150.29802	2.0
150.46217	2.0
152.06261	3.6
153.07036	3.4
155.08620	4.2
156.09412	3.4
157.10156	24.0
158.10909	5.8
159.08081	3.2
159.11703	36.5
161.09618	12.0
161.13269	6.3
166.74983	2.1
167.08545	3.1
169.10138	10.3
170.10954	3.1
171.11726	12.7
173.09665	4.7
173.13290	10.4
174.99229	12.4
175.14838	15.4
177.15077	2.3
179.08549	2.6
181.10143	5.4
182.10930	4.7
183.11719	10.4
185.13281	7.0
187.11169	6.6
187.14850	12.3
189.16516	2.9
195.11694	6.9
196.12384	2.2
197.13197	10.9
199.14888	10.0
201.12749	2.3
201.16422	5.2
207.11522	2.4
209.13268	6.6
211.14841	5.5
213.16313	4.1
215.14333	2.8
217.15906	5.8
223.14876	3.2
225.16408	4.8
227.14384	3.5
229.15787	2.8
233.03661	7.8
235.14833	5.0
237.16428	2.4
250.99847	3.6
251.04659	4.2
253.15872	3.9
265.19333	2.8
297.49353	2.3
309.22195	7.4
327.07864	22.1
327.23053	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	327.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01871	2.8
55.05521	7.0
57.03429	2.0
57.07069	5.1
59.04984	1.3
67.05505	15.5
69.03425	1.6
69.07069	9.5
69.56606	7.4
71.04980	1.7
75.22097	1.2
77.03895	1.2
79.05497	10.2
81.03446	2.4
81.07056	19.0
81.45065	1.1
83.04999	1.7
83.08607	3.7
85.06525	1.5
91.05487	18.7
91.42217	1.1
93.07046	40.3
95.04975	36.9
95.08060	1.0
95.08611	30.1
97.06540	8.9
98.98473	100.0
105.04528	1.8
105.07039	33.7
107.08601	19.2
109.06516	6.7
109.10166	12.1
115.05457	2.3
116.06232	2.0
116.99519	1.4
117.07021	8.0
119.08595	30.4
121.06512	8.0
121.10147	19.6
123.08043	5.8
123.11728	4.7
124.12034	1.9
125.09605	1.4
128.06192	2.5
129.07013	5.0
130.07799	4.1
131.08583	15.6
133.10141	21.2
135.04439	1.2
135.08066	5.8
135.11707	7.3
137.05975	2.2
137.09639	3.1
140.01079	1.1
141.07040	2.0
142.07802	3.4
143.08556	9.6
144.09352	3.3
145.10135	24.3
147.08090	2.7
147.11664	8.5
149.09592	2.6
149.13281	1.8
152.06155	1.5
153.06970	1.8
154.07593	1.4
155.08557	4.2
156.09361	3.4
157.10126	15.3
158.10849	1.3
159.08044	2.4
159.11700	21.6
161.09625	7.6
161.13275	2.1
163.11256	1.6
163.14822	1.9
167.08583	2.0
168.09401	1.5
169.10121	9.3
171.11716	8.7
173.09653	1.8
173.13272	8.0
174.99223	17.1
175.11282	1.5
175.14824	10.5
179.08578	2.7
181.10167	3.1
182.10904	1.3
183.11691	4.8
184.12474	1.3
185.13286	5.1
187.11197	4.2
187.14803	6.8
189.12796	1.4
193.10046	1.2
195.11612	2.2
196.12515	1.3
197.13284	4.8
199.14870	4.8
201.12706	1.7
201.16415	3.4
207.11627	1.1
209.13257	4.3
211.14839	4.3
213.16435	2.7
215.14328	1.6
217.15926	2.5
221.13329	1.3
223.14833	2.4
225.16388	2.4
227.14294	1.7
229.15930	1.4
235.14775	2.8
239.14328	1.5
239.17987	2.5
242.21002	1.5
243.21439	4.2
250.99939	2.7
265.19620	1.6
291.20847	1.7
309.22034	4.9
327.07925	2.1
327.23187	9.6
327.26910	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	327.14
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53275	0.4
56.96559	1.2
57.55243	0.3
57.59720	0.4
57.94450	0.3
67.78351	0.4
70.06596	7.4
71.09968	1.1
82.06588	1.0
84.08146	100.0
85.08476	0.5
90.31679	0.4
97.02895	0.5
98.97578	0.9
98.98476	3.6
101.00925	0.4
110.97617	0.4
112.07601	1.5
116.07088	1.4
130.08644	13.3
146.99695	0.4
158.06586	0.8
168.05072	1.8
170.06662	1.7
171.02591	0.4
172.02840	0.6
186.04453	0.9
186.06175	2.1
188.07677	1.5
189.03580	0.7
190.03833	0.5
198.06139	3.6
204.05467	0.7
212.07683	42.1
213.03589	0.9
213.07747	0.7
216.07162	4.7
221.11540	0.6
228.05528	0.4
230.08749	41.9
231.08945	1.0
239.12482	1.9
240.15602	0.4
241.14119	0.7
248.09747	0.8
249.10881	4.4
253.10347	1.1
267.11887	4.4
283.11304	1.1
285.12955	36.0
286.13364	0.9
308.14575	0.9
327.14310	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
55.05499	0.5
58.06607	0.4
67.05508	0.6
69.03452	0.4
69.07068	0.9
70.06600	1.7
71.01360	0.7
71.51799	0.3
72.08158	1.1
73.02921	0.3
73.06567	1.7
77.01604	0.5
79.05498	0.4
81.07068	0.8
81.65175	0.2
83.04978	0.4
83.08633	0.5
84.08138	1.0
84.08951	0.3
85.02918	2.9
86.09721	0.9
89.06046	0.9
91.05505	1.2
93.07044	1.1
95.01370	0.6
95.04965	0.8
97.02884	0.3
97.06599	0.3
98.98476	100.0
105.07048	0.7
107.04941	0.6
107.08617	0.5
109.06508	0.6
109.10180	0.3
110.07166	0.3
111.26242	0.2
113.02390	2.7
115.05496	0.4
116.07096	0.6
116.99539	1.9
118.57925	0.2
119.04955	1.6
119.08608	1.1
121.02914	0.3
121.06537	0.7
121.10163	0.5
123.04431	0.7
127.99924	0.3
129.09132	0.6
130.09468	1.1
133.06505	0.5
133.08600	0.3
135.08067	0.6
135.11658	0.3
137.05971	1.2
140.01088	0.4
143.04994	0.3
145.06442	0.4
145.10147	0.6
147.04407	4.5
147.05518	0.3
147.08073	0.3
148.10576	0.3
149.04945	0.2
149.05963	1.3
149.11797	0.8
151.03922	0.7
159.11717	0.8
161.05972	0.6
161.69696	0.2
163.03979	0.3
163.11267	0.4
164.07132	0.4
165.05507	1.8
165.06712	0.4
165.09143	0.9
167.07077	1.0
174.99246	15.3
177.05467	0.3
177.12776	0.5
187.11205	0.3
190.08636	0.3
191.08675	0.3
195.07780	0.2
203.07220	0.3
205.06583	0.3
205.12276	1.6
213.05566	0.3
215.25439	0.3
223.13333	1.6
251.00110	2.8
265.08737	0.7
269.12714	0.4
272.22607	0.2
277.08716	0.3
283.14609	0.4
297.11563	0.3
309.19183	0.3
327.12875	0.8
327.17078	1.0
328.15366	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.123
Annotation	Egonol
Peak:m/z	Relative Intensity
51.04385	0.5
53.25887	0.5
55.01880	12.0
55.05519	0.6
63.30907	0.5
65.03943	8.2
67.05504	1.1
69.07105	0.6
69.17822	4.5
71.05013	0.8
72.08176	0.6
77.01608	0.7
78.04771	0.6
79.05503	1.9
81.03443	0.5
81.07061	2.1
89.03908	0.9
91.05489	5.4
93.03413	10.1
93.07031	1.2
94.04177	3.2
94.86720	0.6
95.04987	1.5
95.08645	1.2
98.98473	100.0
103.05463	1.9
105.03424	0.7
105.07053	1.1
105.86797	0.5
107.04961	3.1
107.08595	0.8
109.06459	1.1
109.10207	0.6
110.03645	1.3
111.04450	10.8
115.05467	13.9
116.99478	1.2
117.03363	0.9
117.07022	1.8
119.04960	1.2
119.08571	1.5
121.06509	1.9
121.10189	0.5
122.03664	7.7
123.04433	2.1
124.71407	0.5
125.06000	11.3
125.06857	0.8
128.06226	0.9
129.07013	1.3
131.04962	2.4
132.05725	1.5
133.02858	1.0
133.06528	0.8
135.04422	1.1
137.05988	60.3
143.04936	11.1
144.05699	1.3
145.02855	1.2
145.06512	0.9
145.10144	0.6
146.03647	0.7
147.04407	1.1
147.08083	2.8
149.05959	3.4
151.03928	4.7
151.05013	1.1
151.07536	1.2
153.05482	13.1
153.06786	1.1
159.04422	0.8
160.05211	6.9
161.05969	2.9
163.07520	0.8
165.05647	0.9
165.07045	1.3
167.08582	1.2
171.04414	6.5
172.05186	1.3
173.06023	0.9
174.06807	1.2
174.99248	16.0
175.07564	15.8
176.07085	1.7
177.05473	8.1
177.07364	2.9
178.07750	6.0
179.08559	7.1
181.06487	1.5
182.07301	0.6
185.06012	1.1
186.01509	0.5
188.04634	0.9
189.07011	7.0
191.08553	0.9
193.06528	0.6
195.08047	2.1
196.08943	0.6
197.05948	2.4
203.07039	19.0
205.06522	4.5
206.07298	7.1
207.06262	0.8
207.08083	10.5
208.08815	0.7
209.06099	0.9
209.09712	0.5
211.07532	0.7
217.06496	8.7
218.07137	2.5
219.07970	0.7
221.05901	2.0
221.09624	0.8
222.06731	0.8
223.07559	4.3
224.08327	2.1
225.05397	1.1
225.09099	1.1
233.05968	2.1
234.06763	15.0
235.07578	7.6
235.13194	1.0
236.08398	0.9
237.09016	2.4
239.07048	0.9
239.10736	1.6
240.07863	1.0
241.08394	0.8
245.05963	3.0
246.06740	1.4
247.51324	0.5
248.08235	1.0
249.09122	20.6
250.09729	0.8
251.00055	2.8
251.07068	7.6
252.07770	1.5
253.08530	1.8
261.05429	0.6
262.06223	6.7
263.07065	3.9
265.08655	4.9
266.09348	2.8
267.10196	13.1
268.07275	1.9
269.08099	1.3
277.08609	37.4
278.09177	2.7
279.06589	3.4
279.09421	0.7
281.08032	1.2
281.11621	1.7
283.09631	2.6
285.11105	0.7
294.05667	1.0
294.08881	15.5
295.09631	4.6
297.07742	0.8
299.09637	0.6
299.12799	1.9
309.11209	29.0
309.16837	1.2
312.09750	0.7
327.12158	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1229
Annotation	Egonol
Peak:m/z	Relative Intensity
50.72203	0.6
53.16432	0.5
55.01883	0.8
67.05474	0.8
71.04993	6.4
71.30387	0.9
81.07056	0.7
82.39627	0.6
91.05473	1.8
93.03402	0.5
94.04224	0.8
95.04961	1.0
98.98474	100.0
102.41661	0.6
103.05469	1.0
105.03400	1.1
105.07064	0.9
107.04979	0.7
109.06496	0.7
109.25601	0.7
111.04500	1.0
115.05479	2.0
116.99518	1.1
117.07023	1.1
119.04920	1.3
122.03658	2.1
123.04438	38.7
128.06284	0.7
129.07045	3.8
131.04953	1.5
133.02866	2.1
135.04434	2.1
137.02374	0.7
137.05988	32.8
140.01144	0.7
143.04964	1.4
144.05705	1.1
145.06512	2.2
147.04393	1.4
149.05991	2.1
151.03920	1.8
151.07596	2.0
152.06221	0.6
153.07002	0.7
157.06485	4.7
160.05240	1.5
161.05995	9.7
163.03905	2.1
163.07558	2.5
165.05516	4.0
167.16879	0.6
172.05217	2.5
172.86411	0.6
173.04596	0.9
173.05998	7.9
174.06761	1.9
174.97726	0.8
174.99234	13.1
175.00696	0.9
175.07533	5.5
176.08374	0.7
177.05527	1.4
178.07893	0.7
179.07066	1.8
179.08627	1.2
185.06004	1.8
187.07570	13.5
188.08325	2.7
189.07491	0.7
189.09097	4.1
190.07851	0.7
191.07060	1.0
191.08565	1.4
193.10083	1.2
195.07985	0.7
196.05211	1.9
197.05971	11.7
197.07681	0.8
199.07590	1.8
202.07791	4.0
203.06976	2.1
203.08604	13.6
205.06754	1.0
205.08670	2.1
206.07301	1.0
207.08139	0.9
209.09688	0.6
211.07570	9.2
212.04723	0.7
213.05478	6.0
213.07249	0.8
214.06226	1.3
217.08562	3.4
218.07214	0.7
219.08028	5.2
220.08904	2.3
221.09668	2.0
223.07631	1.7
225.05487	7.4
226.06279	6.1
227.07111	2.9
229.08694	1.2
231.08064	15.2
232.08969	1.6
234.06773	4.7
235.07530	0.8
236.08354	0.8
237.09123	3.1
239.07048	6.9
240.07889	1.4
241.04915	4.5
242.05746	4.4
247.07442	3.8
248.08331	8.1
249.09125	11.4
249.11552	0.9
250.06265	0.7
251.00060	2.8
251.07076	2.5
254.05804	2.4
255.06465	3.5
256.07315	13.7
257.08109	31.2
259.07562	3.5
260.08386	1.7
261.05264	0.6
261.09158	1.0
262.06210	1.5
263.07162	2.7
263.10699	6.4
264.08081	0.9
265.08636	5.2
266.09393	2.0
267.06552	1.1
267.10266	1.1
269.08099	7.9
276.07944	3.7
277.08621	28.1
277.11667	1.3
278.09375	1.5
279.06635	2.2
279.10269	2.7
282.08734	3.7
283.09619	2.2
287.92310	0.7
291.10175	17.4
291.13501	0.8
293.08292	0.7
294.08847	5.6
297.11197	7.2
299.12817	2.2
309.11206	28.2
327.12259	17.7
327.15884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.123
Annotation	Egonol
Peak:m/z	Relative Intensity
55.01872	1.2
58.06607	0.6
63.49516	0.5
65.03932	0.8
67.05505	1.0
70.56978	0.6
70.57310	1.1
71.05004	5.4
71.54771	0.5
77.01613	0.6
79.05492	1.0
81.07061	1.3
91.05499	1.6
93.03406	0.6
93.07037	0.9
94.04179	0.5
95.04957	0.9
95.13947	0.5
98.98477	100.0
103.05486	0.5
105.03384	1.8
107.05003	1.0
115.05489	1.6
116.99523	1.7
119.04975	1.0
122.03648	1.2
123.04443	31.3
128.06175	0.7
129.07027	3.6
131.04985	2.7
133.02879	3.1
135.04439	1.7
137.05992	28.2
139.03918	1.0
140.01068	1.1
143.04919	1.3
144.05667	1.2
145.06508	2.4
147.04448	1.3
147.08109	0.5
149.06032	1.5
151.03912	2.3
151.05048	0.6
151.07574	1.7
157.06474	2.9
159.04361	0.7
160.05223	1.5
161.05997	10.5
163.03944	3.0
163.07637	1.3
164.04694	0.5
165.05531	3.0
165.06961	0.9
168.05801	1.1
171.08063	0.7
172.05251	1.8
173.05997	6.7
174.06802	2.8
174.99249	13.9
175.07565	5.7
177.05492	1.4
177.09166	0.6
179.07040	1.4
179.08664	1.4
181.06566	0.5
185.06041	1.4
187.05898	0.8
187.07570	16.3
188.08398	2.1
189.09145	4.9
191.07021	1.1
191.08585	1.3
193.10152	0.6
196.05243	2.3
197.05995	8.2
198.06715	0.8
199.07567	2.3
202.07872	2.9
203.07005	1.2
203.08604	11.7
203.10434	0.8
205.06662	0.9
205.08638	1.8
206.07350	1.0
207.08229	1.0
211.07555	10.2
213.05434	6.5
214.06273	1.3
217.08588	2.9
219.08067	4.1
220.08867	1.8
221.05951	0.7
221.09666	1.1
223.07533	0.6
223.93509	0.6
225.05473	5.3
226.06317	5.7
227.07057	1.9
229.08661	0.9
231.08083	10.8
232.08871	1.2
233.06056	0.6
233.09708	0.6
234.06735	4.0
234.10287	0.7
235.07596	0.9
236.08437	0.6
237.09166	2.5
239.07037	8.3
239.10783	0.9
240.07874	1.8
241.05020	3.1
242.05710	3.8
247.07565	3.4
247.56262	0.6
248.08382	8.8
249.09132	9.6
250.06334	1.0
251.00026	3.4
251.07095	2.2
251.10815	0.9
254.05797	1.9
255.06602	2.4
256.07333	12.8
257.08109	33.2
259.07639	4.1
260.08319	1.3
262.06354	0.8
263.07346	2.4
263.10699	6.4
264.08005	0.6
265.08603	5.1
266.09464	1.5
267.06650	0.7
267.10150	0.9
268.07358	0.8
269.08099	6.8
271.09756	1.0
276.07861	3.7
277.08624	23.2
278.09348	1.7
279.06622	2.4
279.10202	1.9
280.07489	0.7
281.11844	1.0
282.08762	3.5
283.09625	3.4
291.10217	16.1
293.08038	1.0
294.08865	6.5
297.11279	6.2
299.12811	1.2
309.11224	22.6
309.14746	1.1
327.08414	1.2
327.12259	15.8
327.15982	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1228
Annotation	Egonol
Peak:m/z	Relative Intensity
53.03951	0.9
55.01887	1.2
65.03960	1.0
67.05513	1.0
69.07079	1.1
69.88341	2.0
69.88754	1.7
71.04991	5.8
72.04520	2.2
79.05490	1.2
81.07043	1.6
91.05483	2.8
94.04191	1.3
95.04984	1.1
95.08626	0.7
98.21401	1.2
98.98475	100.0
103.05469	1.0
105.07000	1.5
107.04980	1.1
107.08521	0.7
109.06542	0.7
115.05457	1.7
116.99516	1.2
119.04945	1.1
119.08553	0.9
121.27906	0.6
122.03654	2.5
123.04438	26.8
125.05995	1.0
128.06299	0.9
129.05470	0.9
129.07018	4.7
131.04913	1.9
133.02867	3.9
135.04420	2.8
137.05984	47.7
140.01100	1.6
141.06952	0.8
143.04927	1.3
144.05679	1.2
145.06499	2.3
147.04376	1.9
149.06029	2.2
151.03935	1.9
151.07573	3.3
152.06226	1.7
153.07068	0.9
157.06511	3.5
160.05215	3.3
161.05992	11.1
161.33508	0.7
163.03925	2.7
163.07532	2.5
165.05479	5.1
165.06818	1.4
168.05725	1.2
173.06000	21.8
174.06689	1.0
174.99236	15.0
175.07581	9.5
177.05437	2.3
177.09106	1.8
179.06978	2.2
179.08430	0.8
185.06006	2.4
187.07573	9.1
188.08315	0.8
189.09103	3.1
191.06987	1.2
191.08607	2.3
193.10121	1.3
196.05164	1.9
197.05975	9.9
198.06816	0.9
199.07582	2.1
202.07785	3.4
203.06990	4.7
203.08588	14.0
205.06575	1.7
205.08606	1.9
207.08067	1.8
211.07562	7.8
212.04611	1.5
213.05487	12.2
214.06201	1.7
216.74858	0.8
217.08598	1.4
218.07314	0.9
219.08087	5.3
220.08900	1.9
221.09547	1.8
222.06638	0.7
223.07584	1.6
225.05447	5.8
225.09079	0.9
226.06236	11.7
227.07022	4.4
229.08553	1.3
231.08054	13.1
232.08823	1.5
233.06046	1.6
234.06801	5.8
235.07440	0.9
237.09103	3.3
239.07065	4.6
240.07893	1.9
241.04961	6.4
242.05745	5.6
247.07489	3.9
248.08365	9.5
249.09148	14.9
250.06213	0.7
251.00055	3.0
251.07033	3.4
254.05756	2.3
255.06526	5.3
256.07327	20.8
257.08099	45.6
259.07446	4.0
260.08374	1.4
261.09180	1.1
262.06335	2.1
263.07086	3.0
263.10687	7.0
264.07925	1.2
265.08554	5.8
266.09308	1.6
267.10284	1.7
269.08109	13.2
271.09265	0.7
276.07776	4.6
277.08615	36.2
278.09363	2.1
279.06516	2.9
279.10062	1.6
281.08105	1.1
281.11554	2.0
282.08853	2.6
283.09686	3.0
291.10162	17.9
293.08014	1.2
294.08878	8.7
297.11224	7.4
299.12726	2.8
308.29520	1.8
309.11227	42.7
309.29819	2.3
326.37784	2.0
327.08002	2.9
327.12274	29.1
327.38165	0.9
328.12488	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
53.54784	0.6
55.05513	5.9
58.06603	4.4
62.66684	0.6
63.60085	0.6
65.33941	0.6
67.05503	3.5
69.07077	4.8
69.33555	0.7
69.72527	3.1
72.08163	95.4
79.05498	1.7
81.07063	10.0
83.08628	5.0
84.08150	4.6
85.06569	1.3
91.05499	1.8
93.07052	3.7
95.04979	1.9
95.08611	5.4
97.06555	1.8
97.10177	3.3
98.98476	61.4
105.03398	23.6
105.07015	0.9
107.08589	3.2
112.11267	3.4
116.99512	1.1
119.08584	1.4
121.06535	5.9
121.10167	3.2
125.85957	0.7
130.12347	0.8
132.91321	0.7
133.10178	0.9
133.55644	0.6
135.11737	0.8
147.11650	0.6
163.14824	2.9
163.89206	0.6
172.08908	1.3
174.99272	9.9
175.04042	0.7
181.15881	0.8
182.37141	0.6
187.11165	5.5
205.12222	1.2
210.18480	1.0
238.21681	100.0
240.94513	0.6
251.00047	2.4
252.23410	1.0
255.24385	6.2
276.71161	0.6
284.06430	1.2
308.16437	1.5
309.29028	48.2
326.07611	1.0
326.14670	0.8
326.31683	52.0
327.08957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
55.05505	2.1
55.80035	0.7
57.03446	0.8
61.02930	4.1
67.05502	7.2
68.05034	1.5
69.07068	1.3
70.06596	19.6
71.04999	80.0
71.52942	1.0
72.08166	1.4
79.05495	9.9
81.03420	1.7
81.07063	12.3
83.08611	0.7
91.05484	2.2
93.07076	3.2
95.04962	1.0
95.08611	15.2
97.06530	1.6
98.98475	52.2
103.05474	1.9
105.07070	4.8
107.04935	1.3
107.08613	13.8
108.08092	2.1
109.06573	0.8
109.10167	7.0
112.19540	0.6
113.09653	100.0
114.05556	4.9
116.07104	27.1
119.08612	5.1
121.10143	2.6
131.04967	0.7
133.10133	3.7
135.11798	0.8
147.11745	0.9
149.13266	9.3
150.12766	1.4
151.14833	5.1
154.08923	0.7
158.08119	1.4
161.05939	0.9
161.13290	12.5
163.14838	2.9
172.62698	0.8
174.99226	8.2
179.14368	4.7
193.15775	0.8
194.11725	0.8
196.13345	39.5
217.66100	0.6
251.00160	1.4
256.13370	2.9
284.06500	1.0
294.20673	11.0
308.22226	23.4
308.25806	1.5
309.11362	0.8
326.07697	1.3
326.11395	2.7
326.14743	1.4
326.23822	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	326.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.7
57.03444	1.6
59.05025	1.4
61.02935	5.4
63.39359	1.0
67.05514	13.0
69.07067	4.1
69.20545	0.9
69.68084	4.6
70.06600	35.0
71.05001	96.2
72.08166	1.4
73.06561	1.0
79.05074	1.4
79.05506	16.7
81.03414	1.8
81.07068	17.1
83.08636	1.2
84.08135	1.6
91.05485	3.6
93.07066	5.5
95.04945	1.7
95.08620	25.8
96.08949	1.2
97.06532	1.8
98.06046	1.5
98.21479	1.9
98.98476	48.6
100.45795	0.9
105.07035	7.7
107.04952	1.3
107.08605	26.7
109.06527	1.3
109.10176	11.3
113.09657	100.0
114.05547	5.3
116.07104	54.4
116.07957	1.7
119.08573	9.4
121.06544	1.3
121.10181	2.3
122.10489	1.0
123.08073	2.2
133.10185	5.6
135.11708	1.7
137.05989	3.1
137.13268	1.7
138.06308	1.1
144.06554	1.4
149.13289	17.1
151.11223	1.0
151.14806	6.2
154.08600	1.0
158.08145	3.5
161.13260	23.5
163.14804	1.4
174.99278	6.6
176.07008	5.3
177.00880	0.9
179.14330	12.7
182.05154	1.0
193.15923	1.1
196.13347	21.9
218.95087	1.0
222.28267	1.0
236.07916	0.9
240.37094	1.0
251.00075	1.2
284.06412	1.3
294.20673	41.7
308.18790	1.5
308.22229	23.6
326.10751	1.2
326.14069	6.2
326.23331	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	326.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22311	0.9
55.01871	3.6
55.05267	1.6
55.05515	21.1
57.03435	3.2
58.06604	1.3
60.04538	1.7
67.05502	1.6
69.03439	2.3
69.07075	22.7
70.06599	23.0
70.62009	1.8
70.62382	2.2
72.08156	3.9
79.05505	1.5
81.03414	2.1
83.04973	0.9
83.08627	65.0
84.04517	1.7
84.08139	5.9
85.02919	8.9
85.06548	2.9
86.09705	3.8
87.08132	1.1
87.88134	1.0
91.05480	2.7
92.05806	1.0
93.07050	4.8
97.02872	1.6
97.06519	0.9
98.98475	45.3
107.08617	1.2
111.07378	1.7
111.08090	17.9
114.05560	1.3
116.07124	5.4
120.08107	2.1
121.02889	1.0
124.11287	1.1
128.07060	1.4
129.09131	100.0
134.10538	1.6
135.42711	1.1
137.05974	1.6
141.10292	1.5
144.08107	1.8
145.04915	1.4
145.08675	1.4
146.06036	1.6
147.09023	2.7
147.10175	36.9
163.03975	1.3
164.04279	1.2
174.99240	8.5
176.07838	1.3
176.11517	2.0
183.14914	2.2
203.10509	1.0
204.10941	1.4
208.13310	1.8
211.14429	2.4
250.99973	1.6
291.19037	1.3
308.18634	5.0
326.07584	1.2
326.13934	1.5
326.19647	3.8
326.24158	1.1
326.27982	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	326.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44808	0.5
55.01854	0.5
55.05502	1.5
57.03420	0.7
57.07076	0.5
58.06596	0.6
67.05502	0.8
68.05021	1.5
69.07062	0.9
69.66761	2.2
70.06599	0.6
75.74490	0.4
79.05502	2.4
80.05011	1.3
81.03414	0.7
81.07050	2.3
82.06586	0.7
84.04512	5.4
85.02911	8.9
91.05501	1.0
92.02063	0.5
93.07053	5.5
94.06589	0.5
95.08622	1.0
96.08144	0.9
98.02433	0.6
98.06036	0.7
98.21507	1.0
98.98466	2.3
102.05524	1.4
103.17313	0.5
105.07058	0.8
107.08624	2.6
108.08125	20.3
109.08904	1.1
110.09706	2.4
114.05535	1.9
116.07111	0.7
119.08585	3.2
122.09673	11.5
123.10444	1.8
126.05363	0.5
130.04951	0.6
131.03500	0.6
133.10132	0.5
134.09688	0.9
135.11697	4.7
136.11223	2.7
142.04967	0.8
143.03413	0.5
148.11217	0.6
150.12793	22.6
151.13579	10.4
152.14357	8.1
153.12808	0.5
161.13338	0.6
166.12305	0.6
190.15947	0.6
194.11763	0.6
196.17018	0.8
208.13303	1.4
210.07613	1.6
218.15527	0.6
223.06346	0.5
228.12398	0.7
236.16513	1.4
238.10686	1.5
252.12308	1.7
253.13033	0.5
264.15973	0.7
273.09662	0.6
280.15518	1.0
282.17020	100.0
283.17371	0.9
284.18503	3.7
308.18579	0.9
326.19635	72.3
327.20074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03951	3.4
57.07935	0.4
57.45057	0.4
58.06601	0.9
61.68363	0.4
61.91674	0.4
62.01603	0.4
65.98182	0.4
67.05507	0.9
69.21333	0.7
69.21733	3.4
70.06592	0.6
77.03916	1.0
81.03419	0.8
88.07618	0.7
91.05505	3.1
93.07058	5.6
95.04968	3.3
98.98478	11.7
103.05470	4.1
104.08252	0.4
105.03400	100.0
106.08675	0.6
115.05461	0.4
117.07098	0.7
121.06514	54.0
122.06031	1.4
127.36417	0.4
131.08606	0.7
137.05980	0.7
158.07256	0.4
159.08089	0.9
172.08859	1.0
174.99249	1.6
187.11186	5.8
228.23088	0.7
234.07573	0.5
234.10269	0.5
242.11778	54.4
243.12181	0.5
246.24361	2.8
308.16449	0.5
311.12003	0.7
326.14386	1.5
326.20001	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35203	0.2
51.02375	0.6
53.03954	4.0
54.88948	0.2
61.63588	0.2
67.05508	0.8
70.83479	0.3
70.83794	0.3
77.03922	1.3
81.03414	0.3
81.07068	0.2
87.40672	0.3
91.05484	1.5
93.07055	2.8
95.04980	3.7
96.20594	0.2
98.98484	5.5
103.05470	1.9
105.03406	100.0
105.07043	0.6
106.03748	0.5
116.26767	0.2
117.07050	1.9
117.07774	0.3
121.06520	21.3
122.06053	0.4
129.07042	0.3
131.04926	0.7
131.08577	0.7
132.93083	0.2
133.06506	0.2
137.05956	0.4
141.07018	0.5
144.09314	0.2
145.06509	1.7
154.07809	0.9
158.07355	1.0
159.08080	0.9
159.11699	0.3
169.10156	1.4
171.08064	1.3
172.08861	4.8
174.99313	0.8
176.04817	0.3
187.11208	24.0
189.91714	0.2
202.12386	0.2
205.12267	0.3
223.44992	0.2
242.11792	4.1
261.42148	0.2
266.11829	1.6
291.13797	1.8
304.79736	0.2
308.16461	5.6
322.47983	0.3
326.11292	0.3
326.17606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22541	0.6
54.70639	0.7
56.96558	2.4
70.79002	0.6
71.51205	1.0
71.95303	0.7
79.70061	0.7
85.02917	1.1
88.95261	0.6
91.22678	0.7
97.02885	0.6
98.97595	10.3
101.00864	3.0
116.98626	3.7
119.01908	3.5
124.99088	0.7
134.99698	1.1
140.98781	0.8
158.99892	2.1
172.94392	0.7
177.00952	9.1
178.01155	1.1
182.99954	0.7
200.98277	0.8
201.00952	4.1
217.04037	1.8
217.99052	0.9
219.02029	17.0
220.02109	1.2
221.01817	0.9
223.01646	0.8
225.01044	2.6
236.00119	0.9
241.99011	1.5
242.99609	1.1
243.02011	17.8
251.98187	0.7
256.96790	0.9
258.99881	1.3
259.99991	3.1
261.03088	100.0
261.99908	0.8
262.03238	2.9
262.93076	0.6
266.03595	0.7
274.97937	1.0
278.01328	1.2
279.98029	1.0
280.01025	0.7
284.00153	10.4
284.04630	3.2
284.99918	0.8
290.99429	0.9
301.00751	1.1
302.01263	9.0
303.01022	1.0
303.03918	3.1
326.01599	1.2
344.02240	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	326.139
Annotation	Nandinine
Peak:m/z	Relative Intensity
50.16367	0.2
53.75468	0.3
57.03431	0.4
58.06606	2.4
58.50692	0.3
69.51883	1.6
70.06574	0.4
79.05503	0.3
81.03431	0.4
81.07046	0.3
83.04965	0.3
85.02888	0.3
86.09674	0.3
91.05492	4.5
92.69853	0.3
92.77810	0.3
93.07053	0.3
95.04984	1.1
98.98489	3.2
100.11271	0.4
118.06560	0.9
119.04960	5.3
121.06502	0.5
135.04478	0.5
137.01637	0.2
137.05991	1.6
146.06021	0.5
149.05998	13.6
151.07555	1.4
159.04428	0.4
161.04686	0.8
171.67273	0.2
174.05579	1.7
175.11649	0.3
176.07086	100.0
177.86534	0.3
182.15363	0.6
188.07039	0.4
189.07875	1.1
190.08725	0.5
192.08441	0.5
281.08105	0.6
282.08768	0.3
294.11316	2.3
296.09241	0.7
297.11026	0.3
309.21677	0.5
310.10822	1.1
311.11530	3.4
326.13904	82.8
327.14069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01869	6.9
57.03441	5.6
58.06598	1.6
61.02923	5.1
68.99783	2.0
69.03082	2.7
69.03436	34.3
70.06598	20.2
71.04990	5.4
71.14530	2.9
72.08156	3.0
73.02924	5.8
76.92010	1.6
81.03425	15.8
84.08158	4.1
85.02913	100.0
86.09702	5.4
87.00838	41.9
92.38378	1.6
97.02892	30.7
97.03454	2.8
98.98474	97.5
99.04447	8.9
105.01877	83.8
109.02894	20.3
116.07089	3.9
119.30014	1.5
126.05513	2.3
127.03926	67.7
145.04964	30.0
147.02916	2.7
147.04356	2.1
159.02914	7.7
163.03954	2.4
164.04315	1.9
164.09344	21.8
174.99229	16.2
175.05087	1.6
179.55235	1.6
189.03983	2.9
211.14459	5.6
211.76697	1.8
213.03964	3.0
213.12360	8.8
231.05006	22.1
249.06145	8.8
251.00041	3.2
326.14288	12.0
326.20825	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78994	1.4
53.03942	4.7
55.01876	7.1
55.05312	1.5
55.05519	16.7
56.67609	1.4
57.03437	3.2
57.07080	7.5
65.03940	3.8
67.05515	23.7
69.03419	4.7
69.07072	36.1
70.06596	1.9
71.04990	4.7
71.08597	2.3
71.52326	1.8
72.08157	2.5
77.03934	1.7
77.74720	1.4
79.05500	17.6
81.03412	6.0
81.07063	58.9
83.04987	5.6
83.08238	1.1
83.08627	10.0
85.02911	3.9
85.06557	8.2
87.81161	1.4
91.05487	16.5
93.03407	3.9
93.07052	32.4
94.04192	1.4
95.04982	28.0
95.08617	43.5
97.02898	2.3
97.06505	7.3
97.10165	5.7
98.97578	3.7
99.08087	3.6
103.05461	9.7
105.03397	4.8
105.07034	20.9
107.04966	4.5
107.08600	30.6
108.02071	2.4
109.06524	10.0
109.10160	29.2
111.04443	5.8
111.08064	13.2
111.11739	7.4
113.06019	5.0
115.05466	21.3
117.07039	8.7
119.04947	3.9
119.08584	15.4
121.02870	1.6
121.06487	2.4
121.10168	19.1
122.03651	6.0
123.04450	2.6
123.08087	5.3
123.11719	17.9
125.06016	4.3
125.09631	5.5
127.03922	1.6
128.06232	2.3
129.07002	3.4
129.10318	1.4
131.04919	10.3
131.08582	5.8
132.05716	1.8
133.06467	4.9
133.10150	10.4
135.04427	100.0
135.08015	7.5
135.11703	11.7
137.02425	2.1
137.05988	64.0
137.09618	2.0
137.13255	5.6
139.04021	1.8
139.11197	5.5
141.06995	11.9
143.04939	25.7
145.06485	3.8
145.10135	5.9
147.04442	2.4
147.08034	6.9
147.11670	8.0
148.05226	2.1
149.02350	21.3
149.06004	4.3
149.09630	1.9
149.13278	13.8
151.03929	48.8
151.05058	5.8
151.07549	10.3
151.11174	5.8
151.14876	1.9
153.05453	4.9
153.09068	1.6
153.12717	8.9
157.06529	2.0
158.07323	4.1
159.04405	1.6
159.11737	5.1
160.05235	6.1
161.05998	13.2
161.13271	5.0
163.03978	5.1
163.07565	11.6
163.11183	3.1
163.14835	5.1
165.01805	3.2
165.12845	3.7
169.06503	12.6
171.04425	13.8
173.06009	9.6
173.09590	3.3
175.07556	37.6
175.14842	4.5
177.16420	3.1
178.07932	1.7
179.08585	3.9
181.12253	5.7
183.11710	1.6
185.05994	2.7
186.06772	23.8
187.07639	2.2
187.14832	3.1
188.08408	2.1
189.07008	5.2
189.09039	1.9
191.08511	2.4
191.17973	2.5
201.05458	16.6
201.09143	18.4
203.07051	30.6
203.08788	2.9
203.17928	3.3
205.06516	1.9
205.10147	2.5
206.07350	1.6
207.08032	10.4
215.08589	1.5
215.18047	3.3
217.06555	2.7
218.07317	2.7
221.05838	1.8
233.05768	1.6
233.09639	4.6
233.15407	1.9
233.19008	2.6
234.06738	4.4
235.07616	12.5
235.13347	1.5
237.05521	2.5
237.09187	3.5
237.20387	2.3
239.10573	2.0
247.07628	4.2
249.09227	6.1
250.06403	2.1
250.09883	2.6
251.06940	2.1
253.08609	1.7
261.09186	4.9
263.07117	10.2
264.07837	3.4
265.08643	5.0
265.12213	3.3
267.06750	6.9
267.10001	6.7
271.24243	3.7
275.07166	3.9
277.08530	4.5
277.25125	2.0
279.10159	1.9
280.07327	3.1
281.08038	2.9
282.08844	2.4
283.06033	15.4
289.17984	3.2
289.25299	13.7
292.07297	3.0
293.08075	14.6
293.11591	8.1
294.08994	2.2
295.06229	3.2
295.09662	13.5
297.07590	4.3
297.11063	3.0
307.09641	8.7
307.18802	1.6
307.26291	18.5
310.08447	9.8
325.07001	16.3
325.10681	97.3
325.14444	33.4
325.27435	9.2
326.10858	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86260	4.3
55.05522	4.3
58.06585	15.6
60.61207	4.0
65.03944	3.7
67.05505	15.6
69.07034	4.3
69.95606	16.5
70.06609	32.9
71.04997	4.0
72.08150	5.9
78.03789	4.0
79.05081	4.8
79.05500	68.5
81.07070	22.0
88.07625	17.2
91.05484	39.7
92.05808	4.6
93.07040	23.2
94.07370	7.5
95.04969	9.7
95.08628	8.2
96.51716	3.7
97.06519	6.1
98.21438	4.3
99.38676	4.3
104.71851	3.7
105.03429	4.6
105.07030	38.5
106.08678	11.1
107.04942	8.8
107.08611	60.5
108.08914	3.7
109.06522	6.5
119.08560	15.5
129.07008	5.7
131.08574	8.2
133.10130	17.5
147.08101	4.0
147.11703	41.6
153.29019	4.7
175.11160	11.7
204.13899	4.5
244.17163	5.8
247.18964	7.3
262.18048	44.2
280.19095	100.0
307.21033	19.2
309.03543	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	325.2741
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03955	4.4
55.01873	6.1
55.05516	15.4
57.03447	3.5
57.07076	8.6
61.64772	1.9
65.03951	2.2
67.05220	2.5
67.05515	25.9
68.40522	1.8
69.03432	8.3
69.07076	51.6
69.57480	10.8
71.04994	9.9
71.08662	2.4
79.05499	23.5
81.03430	11.3
81.07066	100.0
83.04971	4.2
83.08616	13.4
84.08150	2.8
85.02911	5.9
85.06553	10.0
91.05491	15.5
93.07062	41.5
95.04984	13.5
95.08620	54.4
97.06554	10.9
97.10158	3.7
98.20842	4.3
99.08112	6.7
101.06039	2.7
103.05452	2.9
105.03397	2.7
105.07047	18.9
107.04948	7.4
107.08607	46.2
109.06526	7.5
109.10165	42.2
111.08090	49.0
111.11726	5.3
113.09632	2.3
114.41322	2.3
117.07043	4.0
119.04964	4.9
119.08589	11.1
121.06521	4.2
121.10156	21.0
122.03651	3.5
123.08063	4.1
123.11715	29.6
125.09635	5.9
129.07051	6.0
131.04932	3.0
131.08629	3.8
133.10165	17.7
135.04427	33.0
135.07986	2.7
135.11697	21.9
136.05115	2.7
137.02301	2.8
137.05992	23.0
137.13264	19.1
139.11200	9.6
143.04900	3.0
145.06491	3.3
145.10153	4.8
147.04388	12.6
147.11713	6.1
149.06029	5.7
149.09621	2.3
149.13264	9.8
151.03990	3.9
151.07571	21.2
151.11189	22.0
153.12762	35.4
157.06531	5.2
159.11702	5.6
161.13258	4.1
163.03937	4.9
163.07608	5.3
163.11232	5.9
163.14827	4.6
165.01846	3.2
165.09093	3.4
165.12756	6.2
169.12305	6.0
173.05980	3.6
173.13286	5.8
174.06960	2.9
175.07542	5.6
175.14853	5.0
177.16446	2.9
181.12256	23.8
186.06766	3.5
187.07570	6.6
187.14906	2.9
188.08363	9.0
189.09184	5.3
189.16406	2.9
191.18030	3.9
193.04955	2.5
193.83887	2.2
201.05493	2.7
201.09181	7.2
203.10718	7.7
203.18053	2.8
205.06458	2.9
219.08008	2.6
222.06662	2.8
233.15375	8.5
235.07495	3.3
245.22656	6.2
247.07416	2.7
249.09047	3.3
263.07019	4.0
264.08008	2.6
265.08786	4.3
267.10095	4.1
271.24313	5.0
277.25287	2.6
283.06061	12.8
283.09268	4.5
287.46942	2.0
289.25278	23.6
292.07126	2.4
293.08176	5.2
293.11441	4.3
295.09656	3.9
297.07672	3.5
297.11261	2.5
307.09546	3.0
307.26367	35.9
310.11594	3.1
325.07043	17.9
325.10669	15.7
325.14081	29.3
325.20697	2.7
325.27368	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01871	7.5
55.05518	24.1
57.03429	8.2
59.04987	4.8
60.11503	2.4
65.56783	2.3
67.05510	38.0
69.03428	5.9
69.07079	28.3
71.05000	14.4
71.53160	3.8
73.06541	7.2
79.05501	30.6
81.03440	3.4
81.07063	43.1
83.04964	6.4
83.08624	11.8
84.08125	3.2
85.02951	3.2
85.06555	2.7
87.04456	2.8
91.05487	36.5
93.07056	36.9
95.04977	12.7
95.08620	30.8
97.06532	21.9
97.10184	12.5
105.07036	42.9
107.04949	8.3
107.08591	29.2
109.06527	14.3
109.10161	21.7
111.08121	7.0
112.56039	2.7
115.05463	3.0
117.06987	12.8
119.08587	34.7
121.02895	3.2
121.06513	12.5
121.10131	18.1
123.04451	3.1
123.08092	8.9
123.11728	3.2
125.09635	8.8
129.07008	3.5
131.08585	15.0
133.06445	3.4
133.10123	24.4
135.04436	4.0
135.08063	13.1
135.11713	12.4
137.05992	11.5
137.09628	8.4
139.11214	3.3
143.08568	5.9
145.10133	18.5
147.08028	4.5
147.11716	16.3
149.09619	10.7
151.07605	12.5
151.11200	3.8
153.07137	3.4
155.08559	5.3
157.10162	7.4
159.08124	13.9
159.11658	13.4
161.13240	6.1
163.07547	3.5
163.11208	8.1
165.01816	5.0
169.10092	4.0
171.11694	9.3
173.13289	7.1
175.11227	5.5
177.12755	3.7
178.93657	3.0
184.58891	2.6
185.09636	2.5
187.07570	3.4
187.11185	3.3
187.14682	3.4
189.11241	3.5
189.12767	5.0
197.13324	3.8
197.20604	2.5
201.09082	3.7
213.16382	2.5
216.97395	2.5
229.08372	2.9
231.17424	3.1
233.09520	2.8
233.15405	4.2
238.21597	2.9
239.17998	4.8
247.20580	3.1
249.18524	6.6
253.15921	3.3
257.19095	10.8
265.21484	3.1
271.16907	10.7
275.20087	100.0
283.06073	22.2
289.18121	20.3
293.11606	6.3
293.21274	6.0
294.12476	5.2
295.09744	5.5
297.07571	3.3
307.19086	12.3
307.22708	40.7
325.07190	29.1
325.10690	5.7
325.14343	35.7
325.20941	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	325.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.05504	1.0
56.05042	1.2
57.03446	1.1
65.03933	0.7
67.05502	1.5
68.05042	1.1
69.03426	2.8
69.07074	3.8
70.06596	3.4
70.82110	1.7
70.82442	0.6
72.08154	2.6
73.02921	0.6
73.30198	0.6
79.05499	3.4
80.05058	0.7
81.03427	1.0
81.07082	3.3
81.73170	0.6
82.06606	1.2
84.04510	9.3
84.08158	3.3
85.02914	16.6
86.06074	4.9
86.09718	0.9
87.04478	1.8
91.05489	22.0
93.07068	5.5
95.01359	1.2
95.04961	1.4
95.08617	1.4
96.08156	1.7
97.02905	1.1
98.20689	0.6
100.40701	0.6
102.05556	8.3
103.05467	2.3
105.07042	1.8
107.08621	3.1
108.08128	41.1
109.06518	1.2
109.08919	1.4
109.10152	0.9
110.09715	3.1
110.10403	0.8
112.03962	1.2
113.02366	0.9
115.03938	0.8
117.07097	0.7
119.04935	1.6
119.08585	2.5
121.10164	0.8
122.09657	3.2
123.08090	1.4
123.10444	1.5
123.11707	1.0
124.11246	1.1
127.03934	1.1
129.10262	2.3
130.05016	71.9
131.04971	2.9
133.06573	0.9
133.10164	4.1
134.09676	2.0
135.11681	4.5
137.05995	6.5
137.09660	0.9
138.09103	0.7
142.04997	1.0
143.03413	0.6
145.06537	1.0
147.04439	2.2
147.08162	0.7
147.09151	3.1
147.11696	1.2
150.12810	11.2
151.03923	1.3
151.07550	3.5
151.13583	2.7
152.14357	90.1
154.15895	4.5
157.10007	0.6
161.06067	1.3
161.09656	2.4
163.03949	1.2
163.07544	4.7
163.11115	0.9
165.05479	1.0
173.07129	0.7
175.07478	3.4
175.11200	4.6
178.15952	2.3
179.10687	1.9
190.15831	1.5
191.08180	8.2
192.13866	0.8
193.13513	1.0
196.16986	24.3
196.18791	1.3
203.10742	2.5
221.11801	1.5
235.18036	3.0
236.16454	1.7
238.14386	1.2
261.19589	0.8
264.15955	12.0
266.17520	1.3
281.18622	100.0
282.18799	0.8
283.20181	1.8
307.12866	1.9
308.18677	3.2
312.44263	0.6
325.07330	1.4
325.14536	9.5
325.21255	82.5
326.21204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.5
57.03444	0.5
65.03949	0.4
67.05505	1.8
68.05023	0.6
68.99792	0.5
69.03432	0.8
69.07077	0.9
70.06587	1.3
70.79811	1.0
70.80148	0.5
72.08156	0.8
79.05511	2.4
80.05047	0.7
81.07064	1.5
82.06576	0.9
84.04515	5.1
84.08125	1.0
84.55426	0.4
85.02437	0.6
85.02917	8.2
86.06071	3.1
86.09692	0.5
89.03908	0.5
91.05498	3.3
93.07051	2.2
94.06580	0.5
95.01319	0.9
95.04996	2.7
95.08608	0.9
96.08138	0.8
97.02887	0.5
102.05555	3.7
103.05471	3.2
105.03379	0.7
105.07032	1.8
107.04952	2.9
107.08598	1.3
108.08134	16.1
108.08883	0.8
109.06504	0.5
109.09029	0.4
109.10152	0.6
110.09654	1.3
112.03969	0.8
115.05487	1.0
116.07119	0.4
117.07022	1.1
119.04962	0.4
119.08560	1.4
121.02884	0.6
121.10123	0.7
122.03652	1.1
122.09659	1.5
123.08028	0.6
123.10472	0.6
123.11741	0.5
127.04015	0.6
129.07004	0.6
130.05020	37.4
131.04953	4.8
132.05688	0.5
133.06520	1.0
134.09604	0.6
135.04431	5.2
135.11685	2.0
137.02356	3.0
137.05991	15.7
141.06990	0.8
145.02875	0.9
145.06647	0.6
147.08109	1.8
150.12776	4.8
151.07562	4.8
151.13571	0.7
152.14360	46.6
154.15897	0.8
160.05203	1.1
161.02342	2.1
161.06023	2.6
163.00241	1.7
163.02560	0.8
163.03928	11.8
163.06270	0.7
163.07556	6.6
169.06535	1.0
175.07573	10.0
176.01030	0.6
178.15910	1.3
181.04971	3.0
186.06714	0.7
187.07591	0.6
190.99805	1.3
191.03394	6.5
195.08051	0.5
196.16988	19.9
201.09109	1.7
209.00728	0.8
209.04398	0.8
218.07246	0.5
233.09560	0.6
235.18074	1.7
255.06483	1.2
261.08911	1.0
261.19537	0.7
264.15988	6.5
265.11945	0.5
269.08005	0.7
278.09467	0.5
279.06622	0.5
279.20654	0.6
281.18631	29.9
293.11423	1.8
297.04352	0.7
297.07593	14.0
308.18692	2.6
310.04703	1.0
310.12048	0.5
325.03665	5.6
325.07080	100.0
325.14255	7.9
325.21243	48.0
326.07385	1.5
326.19711	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03560	0.9
56.05025	1.5
68.05016	1.9
69.07035	1.3
69.72197	2.4
69.72600	3.2
79.05486	1.8
79.24561	0.9
80.05028	1.0
81.07040	1.2
84.04517	8.0
85.02911	12.5
85.14620	0.8
86.06094	5.4
87.04517	1.0
91.05483	4.5
92.68173	1.1
93.07029	3.4
95.01331	1.3
97.06507	1.2
98.06036	1.0
102.05527	5.3
107.08586	2.0
108.08123	36.8
110.09669	3.7
112.04002	1.1
119.08524	1.1
122.09677	2.8
124.11210	1.7
130.05006	60.4
133.10229	1.1
134.09683	1.2
135.11694	3.9
137.06000	1.1
150.12776	9.3
151.13589	1.8
152.14349	83.4
154.15858	3.0
175.40559	0.9
178.15948	2.0
192.13936	1.2
196.16969	26.2
227.33232	0.9
235.18071	3.6
237.19484	1.0
264.15939	13.8
266.30606	1.1
281.18610	59.2
283.20099	2.1
303.04477	1.2
308.18533	4.0
325.21234	100.0
326.21228	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.7
53.13871	2.8
54.79068	3.1
55.01884	20.7
55.05518	48.6
57.03448	31.6
57.07082	3.5
59.04995	7.1
62.83317	2.6
65.75411	2.4
67.05515	47.6
69.03442	10.5
69.07076	55.6
69.37960	19.7
71.05006	17.7
73.02961	3.9
79.05505	47.5
81.03429	41.8
81.07070	67.6
83.05004	15.4
83.08636	28.5
85.02925	20.6
85.06555	15.2
91.05489	38.8
93.07059	49.3
95.04990	41.6
95.08622	49.4
97.02876	4.9
97.06548	26.5
97.10182	34.5
98.21419	7.4
98.97591	5.2
99.04470	4.4
99.08095	6.1
103.05501	5.2
105.03404	7.3
105.07050	26.3
107.04971	25.3
107.08607	47.4
109.02940	4.9
109.06528	51.9
109.10167	33.0
111.04462	8.1
111.08112	14.5
111.11736	13.0
113.06037	8.9
115.05490	6.9
115.07610	8.9
117.07036	13.5
119.04987	4.3
119.08617	25.0
121.06524	56.5
121.10146	20.6
123.04453	37.4
123.08091	19.7
123.11708	10.3
125.09663	28.9
127.03952	7.8
129.07024	14.4
131.04961	10.4
131.08585	16.0
133.02917	5.2
133.06598	6.4
133.10135	10.1
135.04427	57.4
135.08086	24.2
135.11717	15.2
137.02463	3.8
137.06000	45.2
137.09641	16.7
137.13298	4.0
139.07558	6.0
139.11221	9.5
141.06972	3.8
141.09113	8.8
143.04854	3.4
143.08572	7.1
145.05014	4.5
145.06500	3.5
145.10152	12.9
147.04372	7.1
147.08096	7.8
147.11720	8.0
149.05981	3.8
149.09610	8.7
149.13260	10.7
151.03972	6.4
151.07541	13.7
151.11133	3.8
153.09160	11.0
153.12735	7.8
155.08484	3.3
157.06541	4.5
157.10149	6.6
159.08147	18.5
159.11716	8.0
161.05963	15.4
161.09615	6.4
161.13232	3.9
163.03885	17.8
163.07581	14.1
163.11223	14.1
165.01881	11.0
165.05495	3.6
165.06931	3.8
165.12817	5.5
168.91464	3.2
171.11731	6.5
173.06000	24.0
173.09673	8.2
173.13287	7.1
175.03958	3.4
175.07535	20.8
175.11292	5.2
175.14859	3.7
177.07062	3.5
177.09044	4.1
177.12772	5.4
177.16467	4.2
179.08655	3.4
181.06450	4.9
181.12193	3.8
185.06004	16.4
186.06856	6.4
187.07539	8.1
187.11201	3.7
187.14902	8.6
189.09299	4.3
189.11240	22.6
189.12798	5.2
191.14272	4.4
193.12335	6.0
195.14180	3.7
197.05997	7.5
197.09537	3.5
197.13248	3.5
201.09183	14.2
203.06981	5.8
203.08620	25.0
205.06519	6.8
205.12209	5.1
209.06090	16.7
215.14354	5.3
215.17809	3.3
219.08109	5.4
219.13889	14.3
221.15388	8.1
222.06903	5.5
223.13318	13.6
225.05542	9.5
231.08063	18.6
233.06100	3.7
233.09589	3.8
233.15431	20.5
234.06700	6.8
235.07503	5.6
235.13397	3.8
236.08334	4.5
237.05510	8.6
237.09152	7.7
237.14874	6.6
243.17447	8.5
246.06746	4.0
247.07436	6.0
249.05675	2.9
249.09128	11.9
250.06282	5.5
251.06932	4.9
252.07452	7.4
253.05032	4.9
253.15941	5.5
254.05804	13.7
255.06577	33.2
259.07526	5.7
261.09167	14.2
261.18573	8.4
262.06198	4.5
263.06842	5.6
264.07693	5.5
265.08646	9.5
267.06570	8.0
268.07391	4.6
271.16962	23.8
271.24319	5.3
277.08725	24.5
280.07101	5.7
281.08105	6.6
282.08640	5.5
283.06088	45.6
283.09528	8.7
289.08618	18.4
289.18036	77.9
289.25296	5.3
292.07153	16.7
293.08121	7.5
293.11453	6.9
294.08652	6.6
295.06284	5.8
295.09671	16.9
297.07718	4.7
297.11295	7.5
307.09686	35.8
307.15482	4.2
307.19055	77.3
307.26382	10.7
308.09875	4.3
310.04755	3.1
310.08154	12.5
325.07001	60.2
325.10681	100.0
325.14267	27.6
325.20129	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	325.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.1
55.01863	6.3
55.05511	11.0
58.06606	1.9
65.03928	4.1
67.05504	8.0
68.05026	2.5
69.03417	5.4
69.07070	5.0
70.06586	6.1
71.05013	3.7
71.07375	4.6
72.07764	1.9
72.08160	36.6
76.69142	1.6
79.05074	2.4
79.05505	32.2
80.05020	5.3
80.06277	11.1
81.03424	21.7
81.07082	9.3
82.04203	4.5
82.06598	2.8
83.04996	5.3
84.08163	2.5
85.02898	3.3
91.05492	42.8
93.03434	2.7
93.05770	3.2
93.07034	7.1
94.06571	2.0
95.04984	21.5
95.08601	7.0
97.02893	6.1
97.06564	2.1
98.06080	2.6
98.97598	2.6
100.11242	1.8
103.05463	8.5
105.03403	8.7
105.07038	19.2
106.06580	2.6
107.04947	8.5
107.08603	3.6
108.04486	3.1
109.02854	2.1
109.06490	4.1
109.10129	2.8
110.06079	2.8
111.04471	1.6
115.05441	6.1
117.05756	3.1
117.07024	17.9
118.06563	5.0
119.04928	3.4
119.07314	2.5
119.08581	21.3
120.04473	4.2
120.05730	2.3
120.08097	5.6
121.06524	4.6
121.10104	2.4
122.09731	2.0
123.08047	1.9
123.11743	4.6
125.06028	2.3
127.03928	4.3
128.06192	3.8
129.07024	14.6
130.06534	3.7
130.07794	2.2
131.04929	3.1
131.07298	3.4
132.05768	2.1
132.08034	1.8
133.06502	13.5
133.10136	3.4
134.06052	3.9
134.07098	2.0
135.04434	5.7
135.08076	2.2
136.03975	1.9
136.07593	2.7
137.06001	11.8
143.08568	2.6
144.05658	1.9
144.08054	4.3
145.02861	2.9
145.06555	4.0
145.10106	2.1
146.06026	3.0
147.04396	2.7
147.08055	36.1
148.07562	5.3
148.08820	9.1
149.05879	3.4
151.03867	4.7
151.07661	3.2
154.01396	1.8
160.07625	4.6
160.08865	3.4
161.06039	2.4
161.09599	10.1
162.09183	4.2
163.03938	13.1
163.07567	4.5
165.06967	1.7
172.07619	5.2
174.09172	7.8
176.07079	4.0
176.10703	2.1
177.05534	3.6
177.06918	2.9
180.10220	2.7
181.04980	5.9
185.98058	2.5
189.09125	2.5
190.08583	9.5
192.10023	1.9
194.07361	1.9
201.05458	7.7
205.06525	7.9
208.09706	4.4
209.16826	1.8
210.80977	2.1
218.08163	16.1
221.06049	2.4
222.06700	5.4
232.83080	2.2
233.05963	7.5
237.09117	5.7
250.06293	7.3
264.07907	4.2
265.08792	8.9
279.10001	2.2
281.07959	1.8
292.07285	5.5
293.08145	12.3
297.11255	3.2
307.09628	16.3
307.16541	100.0
310.08313	2.6
325.10559	30.6
325.14001	3.8
325.17685	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	325.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91964	0.8
53.03938	1.2
55.01865	2.1
55.05509	2.3
57.03428	1.1
57.07066	0.8
62.93441	0.8
67.05500	3.5
69.03431	1.4
69.07059	2.3
69.22639	1.2
69.22983	8.1
70.06600	0.9
70.19777	0.8
72.08156	3.0
79.05494	10.7
81.03390	1.4
81.07051	4.5
83.08617	1.2
85.02921	1.0
85.06561	1.3
91.05485	8.7
93.07040	2.5
94.04172	1.0
95.04973	3.2
95.08617	3.3
97.06539	4.5
97.10168	1.6
103.05469	17.7
105.07039	49.2
107.04964	3.4
107.08606	3.2
109.06541	3.9
109.10149	2.8
111.11814	0.8
113.06050	1.2
115.05465	13.3
117.07020	1.6
118.04155	3.6
119.04948	2.2
119.08578	3.1
121.02828	1.0
121.06519	1.0
121.10161	2.0
122.03638	1.3
123.08069	2.2
125.09670	1.5
126.65998	0.8
128.06230	2.0
129.07010	1.2
131.04947	7.4
131.08603	1.2
132.05692	1.0
133.06502	37.4
133.10146	1.1
135.04442	2.9
135.08064	1.6
137.05981	15.8
137.09630	1.5
140.64101	0.8
141.06998	9.2
143.04971	1.4
143.06047	4.6
143.08546	1.8
145.06523	1.1
145.10170	1.6
148.05240	2.7
149.05994	2.0
151.03918	0.9
151.07538	3.9
155.08624	0.9
158.07307	5.6
159.08092	1.6
161.05994	100.0
161.13275	1.0
163.03889	0.9
163.07539	9.4
164.08353	1.5
165.01797	1.0
169.06474	9.5
170.07256	1.1
171.04451	1.5
171.11714	0.9
173.09628	6.9
173.65173	0.8
175.07561	7.3
185.06018	1.6
186.06776	21.9
190.07771	2.2
201.09114	30.3
202.21025	0.8
205.10161	2.5
207.08075	1.3
215.08566	2.3
217.00830	4.9
218.07251	2.8
219.08110	1.8
232.08965	1.7
233.09662	6.4
235.07623	2.8
236.20137	1.3
237.20410	2.0
250.09987	0.9
257.03885	2.7
261.09207	5.3
261.18613	1.2
262.10077	0.9
263.07117	1.0
263.16440	1.6
265.12350	5.7
267.06540	1.3
271.16910	1.3
278.09396	1.8
281.07993	1.0
283.06046	8.7
289.17941	2.3
290.25580	1.0
292.06958	1.0
293.08524	1.4
293.11728	6.8
294.08997	2.2
295.09634	1.1
296.10419	1.2
297.07535	1.8
297.11053	1.1
307.09814	1.3
307.19122	2.4
310.08496	1.2
310.11807	1.5
325.07053	10.4
325.10693	6.2
325.14352	12.6
325.20935	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59156	0.3
53.03967	0.4
53.92035	0.3
55.01871	1.0
55.05509	0.6
57.07071	0.7
65.03951	0.8
67.05521	0.7
68.99794	0.9
69.03440	3.4
69.57276	0.4
70.06612	0.5
71.04992	0.5
71.52470	0.4
71.52834	0.4
72.08199	0.4
79.05482	1.5
81.03411	0.5
81.07050	0.8
83.08615	0.5
84.08138	0.4
85.02905	1.3
89.06007	0.5
91.05488	8.9
93.03420	1.9
93.07039	1.1
94.04200	1.3
94.06593	0.4
95.04980	1.2
95.08601	0.5
97.06572	0.4
103.05486	4.9
104.06247	1.1
105.07047	2.0
107.04987	2.4
107.07038	0.5
107.08585	0.8
108.08116	1.0
109.02888	0.7
109.06592	0.5
111.04438	0.9
115.05467	4.5
117.07030	6.1
119.04954	2.9
119.07299	0.4
119.08591	9.0
121.02871	6.2
122.03726	2.4
123.04446	0.5
128.06264	3.3
128.11601	0.4
129.07014	6.2
130.04984	0.6
131.04936	10.4
132.05727	7.1
133.02847	0.8
133.06494	0.9
135.08105	0.7
135.11716	0.4
137.02370	2.4
137.05988	50.9
138.06317	0.5
141.06998	7.7
141.80434	0.4
143.04927	0.5
145.02835	2.5
145.06468	1.9
145.12228	1.3
146.03493	0.4
146.12607	1.5
147.04433	0.6
147.08060	21.2
150.12852	0.5
151.03975	1.8
151.07552	0.9
155.03464	0.8
155.06056	0.6
157.06464	2.2
157.07639	0.4
158.07309	0.9
159.08087	0.9
160.05219	6.2
161.02393	2.2
161.06024	3.8
163.03957	2.0
163.07553	13.4
163.13336	1.4
165.01868	3.4
166.02132	0.5
169.05054	0.7
169.06506	12.9
170.07228	0.7
173.09645	0.7
174.06731	0.4
175.07562	100.0
176.07874	0.6
177.01839	0.7
177.05489	0.6
177.09065	0.4
178.99750	0.5
179.03416	16.0
179.05949	0.9
181.06403	0.5
183.02975	1.0
186.06818	2.0
187.03954	0.6
187.07558	2.0
188.08281	0.8
189.01877	2.9
189.09120	6.6
190.07770	0.8
192.03241	0.5
193.08640	0.5
197.04410	1.4
201.09120	7.6
205.04893	0.6
205.10120	0.9
207.02940	4.4
207.05579	0.9
213.05464	0.7
215.08563	0.5
218.07251	1.0
229.04941	2.3
231.03014	0.4
233.09543	2.9
235.07416	0.9
250.09846	0.6
253.04965	0.8
255.06451	1.5
261.09119	2.8
265.12308	1.7
267.06601	1.3
267.10202	0.4
268.06927	0.8
269.07620	1.7
278.09421	0.7
279.06586	5.4
279.11163	0.5
281.07318	1.2
282.17004	2.4
283.06046	11.5
283.09055	0.8
284.06372	0.7
285.06473	1.1
293.11673	3.4
295.06079	6.0
295.09387	1.0
296.06616	1.0
296.10229	0.8
297.07559	57.8
297.10327	3.4
298.07953	0.9
307.05960	6.3
307.08932	1.0
309.06760	0.6
310.04321	0.5
310.07413	1.5
310.11700	0.7
317.75708	0.4
325.06992	94.9
325.09933	19.8
325.14355	47.0
325.21851	1.6
326.07327	1.5
326.19662	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1398
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
51.99387	0.3
53.03964	2.4
55.01880	2.1
57.03448	2.7
58.06590	0.8
59.04985	0.4
61.02935	0.5
63.71651	0.4
68.94231	0.3
69.03440	16.5
69.03822	0.8
70.06597	0.4
71.01342	1.2
71.05006	5.9
73.02917	0.9
74.09711	0.3
75.04474	0.4
75.84837	0.3
76.28793	0.3
81.03427	17.4
85.02918	0.4
87.04482	0.6
88.29501	0.3
89.90151	0.3
91.05482	1.0
97.02891	0.4
99.04472	6.6
103.64870	0.3
113.69221	0.3
116.05032	0.6
117.05516	1.9
118.06556	4.1
135.04437	0.5
135.09178	0.4
145.07622	6.6
147.05496	0.4
147.09184	7.9
151.03972	0.4
162.07870	1.2
163.03928	2.1
163.08702	0.8
172.06329	0.3
173.07133	12.5
175.07384	0.5
175.08725	6.7
181.04935	0.5
185.06996	0.4
191.08180	100.0
192.08453	0.7
205.09705	0.8
215.11827	0.5
231.11270	0.6
233.09274	1.3
265.72394	0.4
266.17783	0.4
271.10635	0.4
289.11841	1.4
307.12921	32.7
325.13995	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1395
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
55.01875	0.5
56.96567	2.5
57.03436	1.0
60.03782	0.3
61.02924	1.2
67.62589	0.3
69.03435	1.9
69.90308	1.4
70.06593	1.6
70.98109	0.5
72.08147	0.5
73.02916	1.1
81.03416	0.7
84.08154	1.5
84.96060	0.3
85.02914	4.3
86.09750	0.5
86.72564	0.3
90.23192	0.3
91.05489	0.4
93.10623	0.3
97.02904	2.0
98.97598	6.4
105.29597	0.3
109.02899	0.5
110.97583	1.1
114.97083	0.3
116.07104	0.9
116.71628	0.3
116.98632	2.2
117.05798	0.6
118.06557	3.8
119.01895	0.7
127.03917	1.7
128.02350	0.3
128.98640	0.8
129.10226	0.5
130.08675	0.3
133.07616	3.6
134.99643	0.4
135.04440	0.5
137.04564	0.3
140.98564	0.4
143.00200	0.6
143.01825	0.5
145.07625	100.0
146.08441	1.9
146.99716	0.4
147.04488	0.4
147.09175	0.6
152.05704	3.2
154.93272	0.3
156.03485	0.3
158.99585	1.0
161.01131	0.3
162.99078	0.3
163.03937	1.1
163.05051	1.2
163.08685	57.5
164.09119	0.4
166.01723	0.3
172.02803	0.3
172.94385	1.0
177.00745	0.4
178.03062	0.4
185.03072	0.3
190.95451	0.4
191.03879	0.7
193.00398	0.7
205.00111	0.5
213.03424	0.5
219.01794	1.1
220.04166	0.4
223.01176	0.4
232.96469	0.5
234.04889	0.3
235.01315	0.6
235.06604	0.8
237.02925	0.8
245.05113	1.1
252.05724	0.4
259.05862	0.4
260.95981	0.4
260.99408	0.6
274.97623	0.5
279.00610	0.4
325.13977	84.7
326.14203	0.6
344.03336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01877	2.7
57.03451	2.4
57.07077	0.3
59.04993	0.7
61.02927	1.0
67.05509	0.5
68.84338	0.3
69.03434	16.0
69.93078	1.5
70.06598	0.5
71.01350	0.8
71.04997	4.5
72.08138	0.5
73.02924	1.0
79.05502	0.8
81.03426	16.5
81.07070	0.8
84.04542	0.5
84.08147	1.3
85.02905	1.5
86.09708	0.4
87.04461	0.5
91.05487	3.1
91.86580	0.3
93.07036	0.5
95.04967	0.8
95.08618	0.5
98.20847	0.6
99.04461	6.7
102.05549	0.4
103.05466	1.5
105.07061	0.5
107.04955	0.7
108.08129	1.8
109.06518	1.1
110.52960	0.3
116.04969	0.5
117.05535	1.6
118.06541	5.2
119.04920	0.5
119.08541	0.5
121.02873	0.5
122.03612	0.6
123.08073	0.5
127.03934	0.4
130.05038	2.9
131.04933	2.4
137.05991	9.2
141.07005	0.4
145.06566	0.5
145.07616	6.4
147.08080	0.3
147.09177	7.9
151.07555	4.6
152.14368	4.2
154.54622	0.4
159.09238	0.5
162.07913	1.0
163.03963	0.6
163.07547	5.1
163.08719	0.9
173.07132	11.6
175.07524	0.9
175.08749	5.4
175.11067	0.5
187.07468	0.7
190.07423	0.5
191.08173	100.0
192.08502	0.4
196.16994	0.6
201.09123	1.4
203.08160	0.6
205.09883	0.6
207.02884	0.4
231.11365	0.6
233.09465	1.8
261.09180	0.6
264.16016	0.4
268.07257	0.6
279.06573	0.3
281.18658	4.4
289.11780	1.9
293.11520	1.0
296.06683	0.5
297.07681	0.7
307.12906	36.0
308.13327	0.4
325.07666	5.4
325.13989	40.7
325.21146	3.2
326.14383	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01863	3.8
55.05510	4.9
56.05029	1.8
57.03439	3.1
58.41576	1.7
61.02921	2.1
65.03938	2.5
67.05502	8.2
69.03438	12.1
69.07069	25.1
70.06587	5.9
71.04996	2.5
71.10512	4.5
72.08134	2.5
74.09768	1.7
77.03923	2.1
79.05492	9.9
81.03417	4.5
81.07061	15.4
83.04992	2.6
84.04514	10.9
84.08147	6.0
85.02907	21.2
86.06049	4.1
86.09698	2.2
87.00855	2.0
91.05489	48.3
93.07050	27.7
95.01335	2.7
95.04984	10.7
95.07323	1.9
95.08625	4.4
97.02884	2.9
97.06531	11.4
98.06027	2.1
99.04468	4.7
102.05569	8.7
103.05469	5.2
105.07041	27.5
107.04964	6.7
107.08606	19.6
108.08129	39.0
109.05901	1.9
109.06522	11.1
109.10146	5.9
110.09747	2.8
113.32147	1.7
117.07008	6.2
119.01251	2.7
119.04945	14.5
119.08604	22.9
121.06490	14.2
121.10160	4.6
122.09665	2.5
123.04448	4.7
123.08084	28.5
125.06020	6.5
127.92342	1.8
129.07030	2.1
130.05014	73.0
131.04955	4.5
131.08571	5.5
133.06496	6.8
133.10144	54.7
134.88301	2.1
135.04491	3.2
135.08040	3.7
135.11693	9.3
137.02367	2.8
137.05981	13.2
137.09644	7.7
138.09236	1.8
138.10397	8.4
142.07845	4.1
145.06532	3.6
145.07677	3.3
145.10144	2.7
146.07260	3.4
147.04434	28.6
147.08101	3.5
147.09169	21.2
147.11688	23.5
150.12772	15.5
151.03923	4.7
151.07542	7.9
151.13577	3.2
152.14355	95.7
154.15976	2.7
157.10147	17.8
159.08099	2.2
159.11728	8.6
160.08888	8.3
161.06027	9.5
161.09625	38.1
163.03903	3.0
163.07588	7.5
163.11205	22.1
165.05507	17.8
175.07607	4.8
175.11206	100.0
177.12762	6.3
178.15947	2.5
179.03442	2.0
179.06947	1.8
179.10687	26.4
185.09532	2.2
188.08360	5.8
191.08179	27.0
193.12227	2.4
196.16974	26.9
201.09091	2.0
203.10683	52.8
221.11731	36.2
234.79187	1.8
235.18039	3.2
236.20212	2.2
261.09500	2.0
264.16019	13.1
281.15042	12.2
281.18576	78.2
284.68024	1.9
293.31418	1.8
307.12888	3.6
308.18613	3.6
325.07230	3.7
325.14047	28.9
325.21246	94.8
325.24677	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	325.1073
Annotation	Desmethoxyviridiol
Peak:m/z	Relative Intensity
55.05506	3.3
58.57382	2.3
62.06091	4.2
64.84702	2.0
67.05516	2.8
69.07064	4.0
71.04993	11.7
79.05488	8.0
81.07044	2.8
83.08610	4.6
87.87217	1.9
91.05451	5.3
93.07033	3.0
95.04988	2.9
95.08617	4.0
103.05450	2.2
105.03368	4.5
105.07043	5.0
107.08570	2.4
119.04910	2.4
123.04443	30.1
128.06218	2.2
129.06999	12.7
130.27446	2.4
131.04961	3.2
133.02876	2.8
135.04427	100.0
137.02428	2.5
137.05957	6.0
145.06506	3.9
147.04399	6.2
149.05984	8.5
151.03926	3.4
157.06477	10.0
160.05273	2.3
161.05927	12.5
163.03914	4.2
164.67744	2.5
168.05582	2.3
169.06444	2.1
173.06003	63.6
175.07565	16.4
177.05498	4.4
181.06522	2.8
185.05995	18.1
190.07791	3.2
191.08568	5.2
197.06053	14.0
202.07755	10.0
203.06987	15.6
203.08578	28.8
209.05943	11.7
219.08052	8.3
222.06702	4.5
223.07599	3.9
225.05484	14.7
227.07060	6.2
231.08078	26.4
234.06758	10.5
235.07433	3.1
237.05550	5.4
237.09122	10.0
246.06908	4.9
247.07524	5.1
249.09090	23.3
250.06268	3.0
253.05017	5.0
254.05766	27.8
255.06548	64.9
259.07520	6.4
261.09195	15.2
262.06189	6.1
265.08472	11.5
267.06531	17.5
267.09375	3.3
274.06332	2.9
277.08643	48.6
279.10028	2.6
280.07315	5.4
281.07971	4.2
283.05960	9.0
289.08667	30.0
292.07257	9.6
295.09802	14.3
307.09695	44.4
325.07016	8.9
325.10687	35.0
325.21576	2.6
325.27200	6.4
341.06372	2.1
346.49799	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	325.1073
Annotation	Desmethoxyviridiol
Peak:m/z	Relative Intensity
53.03938	1.5
54.98206	1.4
55.01876	1.8
59.34543	1.1
59.97657	1.2
65.03963	1.2
67.05511	2.5
69.07104	1.7
70.10368	5.8
71.05003	11.6
71.57915	1.2
73.07426	1.3
79.05480	5.4
81.07076	1.8
85.02871	1.2
91.05470	5.4
93.07032	2.0
95.05006	1.5
103.05489	2.0
105.03406	2.3
105.07047	3.5
107.08589	1.5
115.05420	2.7
119.04912	3.4
123.04431	35.2
128.06189	3.4
129.07040	13.4
131.04964	2.9
133.02863	3.9
135.04430	100.0
137.05981	3.5
143.04955	2.0
145.06494	4.0
147.04485	6.1
147.08057	2.0
149.02341	2.1
149.06017	7.9
151.03911	5.0
153.06967	2.1
155.04980	2.9
157.06534	6.5
159.04474	1.9
160.05205	4.4
161.05995	13.8
163.03979	6.1
165.05573	3.2
165.06967	1.9
169.06511	3.1
173.06003	67.9
175.03951	2.1
175.07556	16.3
177.05466	4.4
178.07788	2.7
179.08647	1.4
181.06511	2.3
185.05989	22.2
186.06689	3.3
187.07538	3.7
189.07150	1.3
190.07854	2.3
191.08621	7.3
193.10175	1.4
195.08124	1.6
197.06006	15.0
198.06831	1.4
202.07816	9.8
203.06973	12.5
203.08598	33.1
205.06477	2.8
206.07384	1.7
207.08130	2.8
209.05991	12.7
211.07535	1.4
215.07140	1.6
218.07213	1.5
219.08046	9.0
221.09627	4.3
222.06757	2.5
223.07532	3.2
225.05438	12.9
226.06345	1.5
227.07114	5.5
231.08054	30.5
233.06093	1.3
234.06752	11.3
235.07562	2.5
237.05487	8.4
237.08989	8.0
238.06171	2.0
239.10725	2.6
246.06804	7.0
247.07561	7.1
249.09137	24.4
250.06236	4.7
251.06984	2.0
253.04944	6.8
254.05785	27.5
255.06544	55.2
259.07581	7.4
260.08386	1.5
261.09097	16.3
262.06299	5.0
263.07111	2.0
264.07776	2.3
265.08609	10.9
267.06558	18.6
267.09720	2.3
269.08139	2.1
274.06268	2.8
275.07004	3.0
277.08633	40.1
279.06549	1.8
279.10135	2.8
280.07275	3.0
281.08063	5.0
283.05994	4.3
289.08600	32.5
291.06558	4.1
292.07379	11.2
295.09653	13.4
297.11227	3.0
307.09644	44.7
316.94052	1.4
325.07126	4.5
325.10718	29.5
325.14264	1.7
325.27289	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	325.1072
Annotation	Desmethoxyviridiol
Peak:m/z	Relative Intensity
52.56938	1.5
53.03953	3.1
55.01868	2.3
55.05503	4.7
57.07071	2.8
58.59528	1.4
67.05503	4.5
69.03435	1.8
69.07074	9.3
69.55191	9.4
71.05003	11.0
71.08633	5.1
72.36599	1.7
79.05486	6.9
81.07049	9.3
82.91922	1.5
91.05482	5.0
93.07045	5.0
95.04984	3.9
95.08607	4.3
99.08089	5.2
105.03424	2.4
105.07034	4.7
107.08577	4.4
109.06532	8.6
109.10158	3.3
115.05460	3.0
116.44140	1.5
117.07015	1.9
119.04950	4.1
119.08570	3.2
121.06519	2.5
121.10197	1.8
123.04433	34.5
123.08058	1.7
128.06209	1.8
129.07008	13.7
131.04922	2.8
131.08583	2.5
133.02853	2.8
135.04422	100.0
135.11729	1.8
137.05943	3.8
137.95834	1.5
139.05371	1.6
139.11147	2.1
141.06984	2.3
143.04921	1.5
145.06485	3.0
147.04422	5.4
147.08099	2.2
147.11687	1.7
149.02350	3.1
149.05992	8.4
150.49677	1.5
151.03903	3.6
153.06993	1.7
155.04881	2.4
157.06516	10.0
159.04379	1.6
160.05182	5.0
161.06000	10.9
163.03865	4.2
165.12790	19.3
169.06503	3.5
173.05992	66.5
174.06754	2.3
175.03925	2.4
175.07581	16.9
177.05524	5.5
179.08524	2.6
181.06639	2.6
181.15919	4.1
185.05981	21.4
187.78087	1.6
189.07076	1.8
191.08568	4.7
193.10222	2.6
197.05978	17.6
202.07756	7.6
203.06984	16.0
203.08597	30.8
205.06441	2.6
209.05945	11.5
219.08018	6.4
221.09529	3.3
223.07503	4.0
225.05484	12.7
227.07149	3.3
231.08058	27.9
234.06770	10.9
237.05406	5.1
237.09111	8.6
246.06844	5.5
247.07468	6.6
249.09117	30.6
250.06160	3.7
251.07079	2.3
251.10843	1.6
253.04996	5.0
254.05727	25.6
255.06538	65.3
259.07559	5.1
261.09085	13.1
261.22177	6.7
262.06317	5.0
264.98080	1.9
265.08612	12.2
267.06522	17.7
274.06329	1.8
275.06979	2.9
277.08600	46.3
279.10223	1.8
279.23212	2.0
280.07285	2.3
281.08203	6.6
283.06064	3.0
288.80396	1.6
289.08600	32.0
289.21613	16.9
291.06393	2.4
292.07352	9.7
295.09637	11.7
297.11371	2.2
307.09677	52.5
307.22690	32.1
307.25964	3.0
325.07101	2.8
325.10699	30.8
325.14246	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1071
Annotation	Desmethoxyviridiol
Peak:m/z	Relative Intensity
53.03949	1.7
55.01866	1.9
56.04067	0.8
57.95746	0.8
67.05492	1.3
67.70301	0.8
69.07100	0.9
70.11750	3.5
71.04998	9.1
77.03915	1.4
79.05491	4.2
87.40202	1.0
91.05482	3.6
93.03405	1.3
95.04948	2.1
103.05489	1.8
105.03387	2.7
105.07018	2.7
107.04964	1.7
111.04445	1.5
115.05464	2.7
117.06976	1.2
119.04968	2.5
123.04430	32.7
127.05419	1.2
128.06207	1.0
129.07016	10.5
131.04875	2.3
133.02832	3.5
135.04425	100.0
137.02272	1.1
137.05975	3.1
139.05437	1.0
141.07043	1.0
143.04935	1.8
145.06467	2.6
147.04395	3.8
147.08063	1.2
149.02324	2.3
149.05988	6.9
151.03951	3.8
151.07533	1.1
153.10046	0.8
157.06485	9.3
160.05200	4.2
161.05995	9.8
163.03885	5.2
163.07622	1.0
165.05522	3.8
165.06892	2.2
167.04973	1.6
169.06482	2.6
173.05989	66.4
174.06656	1.2
175.03906	3.1
175.07550	16.9
177.05489	4.2
177.06898	1.2
178.07750	1.2
179.08643	1.7
181.06462	1.9
182.36198	1.0
185.05998	17.4
186.06787	1.5
187.07610	1.5
189.07028	2.1
190.07779	2.0
191.08571	3.1
193.10074	1.5
195.08032	1.1
197.05991	16.5
198.06779	1.1
199.03586	1.0
199.07509	1.1
202.07768	6.6
203.06990	12.6
203.08595	26.1
205.06477	1.7
206.07327	1.7
207.08058	2.7
209.05988	9.7
210.06563	1.3
213.07101	1.2
215.07053	1.4
218.07295	1.3
219.08060	8.8
221.09651	2.2
222.06783	1.4
223.07574	1.8
225.05447	11.0
226.06235	1.9
227.07022	3.6
231.08060	22.6
231.10260	1.9
232.08795	1.1
234.06760	9.6
235.07535	2.6
237.05545	5.1
237.09062	8.6
238.06325	1.6
246.06770	5.3
247.07550	4.6
248.08418	1.7
248.75888	1.0
249.09137	29.2
250.06314	3.5
250.89406	1.0
251.06955	2.4
251.10732	1.1
253.04971	4.1
254.05751	23.2
254.08379	1.4
255.06534	57.7
259.07614	7.1
260.08499	1.1
261.09116	12.6
262.06332	4.0
263.07034	1.1
265.08624	9.9
267.06552	15.8
267.09683	1.6
268.07565	0.9
269.08087	1.4
274.06390	2.1
275.06989	2.2
277.08615	38.3
278.05878	1.8
279.06683	1.6
279.10052	1.7
280.07339	2.9
281.08090	5.1
283.05905	2.0
289.08606	25.6
291.06479	3.1
292.07272	9.6
295.09656	14.0
297.11261	3.1
307.09656	41.4
325.07144	2.2
325.10699	27.4
325.14020	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1962
Annotation	CW 69D
Peak:m/z	Relative Intensity
53.03941	0.6
56.33691	0.3
57.08918	0.3
58.56261	0.4
67.05514	0.5
69.07066	0.6
71.52657	0.3
72.08154	0.9
79.05502	14.2
81.07056	1.0
91.05486	0.6
91.49397	0.3
93.07063	1.9
95.04982	0.7
95.06730	0.3
97.06553	0.3
103.05478	31.0
105.07044	2.6
107.04966	18.8
107.08607	0.3
118.06547	3.8
121.06493	1.3
131.04944	10.3
131.08557	0.4
132.08087	1.4
133.08899	0.8
137.06009	0.4
146.09628	1.9
149.05978	0.6
153.12819	0.6
160.11250	0.8
161.05949	0.3
169.63954	0.3
176.14365	43.3
186.14145	0.4
189.15120	0.4
197.78310	0.4
220.00581	0.3
232.08574	0.4
233.14178	0.4
259.43726	0.3
283.06100	0.6
292.10385	0.7
306.17780	0.7
324.19592	100.0
325.19839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2171
Annotation	Lycofawcine
Peak:m/z	Relative Intensity
53.03939	4.3
55.01865	2.4
55.05507	9.9
56.97102	1.3
59.82294	1.5
61.16785	1.4
67.05504	11.5
67.10938	1.4
69.03434	2.8
69.07072	2.1
69.15820	5.8
69.16245	8.4
70.06582	4.8
72.07765	1.7
72.08160	34.7
77.03904	1.4
79.05505	22.7
81.03418	3.0
81.07067	20.4
83.04990	6.9
91.05486	52.6
93.07050	100.0
95.04993	8.9
95.08618	2.7
98.06020	4.1
103.05452	1.7
105.03391	1.6
105.07043	37.8
107.04959	7.4
107.08606	14.2
115.05434	1.6
117.07044	3.5
119.04978	1.8
119.08577	11.7
121.06509	2.6
121.10126	2.6
129.06984	3.7
131.08531	3.1
133.06499	21.5
133.10147	8.2
134.05995	3.2
138.94255	1.4
142.07773	1.7
147.11688	15.6
149.13232	3.9
150.09175	1.4
175.11229	7.5
191.13043	4.4
204.13844	3.6
215.25703	1.4
223.66080	1.5
246.18555	82.8
263.09473	1.5
264.19614	7.1
301.73907	1.3
304.41116	1.6
306.20657	81.5
324.17776	1.4
324.21851	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	325.0921
Annotation	Skimmin
Peak:m/z	Relative Intensity
55.01869	0.3
55.05482	0.2
56.05030	0.2
57.03428	0.3
58.66644	0.2
65.03925	0.2
67.66220	0.2
68.99764	0.2
69.03426	0.7
69.07073	0.4
69.47382	1.3
70.06590	1.6
71.05002	0.2
72.08143	0.5
73.02917	0.2
79.05495	0.6
81.03426	0.4
81.07048	0.4
84.04492	0.2
84.08167	1.0
85.02913	1.8
85.06510	0.2
86.09697	0.5
88.12407	0.2
89.03941	0.2
91.05490	5.3
93.07047	0.6
95.04980	0.3
97.02892	0.7
97.06528	0.3
102.05537	0.2
103.05432	0.3
105.04501	0.2
105.07048	0.4
107.04969	8.4
107.08595	0.3
109.06520	0.5
109.10146	0.3
119.04951	6.4
119.08577	0.6
120.08125	0.4
121.02881	0.6
121.06499	0.4
121.10186	0.2
123.08039	0.3
127.03876	0.5
127.07527	0.3
128.07901	0.3
129.10245	0.4
131.04922	0.3
133.06348	0.2
133.10141	0.9
135.04430	1.3
136.07684	0.2
137.05980	0.7
145.02878	0.4
145.04942	0.5
145.06512	0.2
145.51376	0.2
146.08934	0.2
147.04434	0.6
147.11719	0.3
151.03972	0.2
151.07544	0.5
157.10187	0.2
161.05962	0.5
161.09633	0.3
163.03915	100.0
164.04269	0.6
165.05498	0.3
175.07529	0.4
175.11232	1.2
179.10675	0.5
187.07602	0.2
201.09094	0.2
203.10690	0.6
207.77089	0.2
221.11771	0.6
265.08768	0.2
271.09344	0.2
307.12924	0.2
324.70221	0.3
325.06827	0.4
325.14493	1.0
325.21039	0.2
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
58.06585	0.8
67.05518	0.8
67.86554	0.6
70.57848	0.6
79.05499	2.4
81.07060	1.0
84.08090	0.7
91.05492	4.4
93.07047	0.9
95.04960	1.0
97.26965	0.6
106.06571	8.7
116.04977	7.1
130.06548	1.4
131.08597	0.7
132.08055	0.8
134.06021	100.0
135.04398	0.7
137.05934	0.9
150.05455	0.7
160.07571	3.7
160.55298	0.6
161.06114	0.8
173.10751	31.9
174.09099	0.8
191.11797	6.3
203.08229	0.9
204.08849	0.7
230.83337	0.6
248.07527	0.6
249.82274	0.7
264.11090	0.8
277.08008	0.8
280.14426	0.9
292.10541	2.4
324.09476	0.7
324.12952	3.2
324.17096	5.2
324.20724	1.7
349.65475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.8
57.03431	0.5
60.04519	1.1
67.05509	1.1
69.07058	0.7
69.37670	2.1
69.38077	0.8
72.08138	1.1
81.07058	0.8
86.06075	1.4
91.05487	0.9
92.43073	0.4
93.07026	0.7
97.10180	0.3
98.20817	0.8
105.07048	0.5
107.08609	0.8
108.52070	0.4
125.09650	0.4
135.04431	0.4
135.08046	0.7
137.05957	0.5
153.12720	1.0
159.08080	1.1
178.07828	0.6
179.08586	1.8
189.06931	2.0
190.07776	4.4
191.08592	3.1
193.10109	0.7
201.07037	0.4
202.07765	5.5
203.08553	3.6
204.09386	0.7
205.06535	0.8
205.10077	2.1
207.08119	2.5
208.08939	0.9
217.06537	1.4
217.08821	0.6
218.07315	33.1
218.09602	3.0
219.08060	6.9
220.08725	0.6
221.06012	1.7
221.09615	6.2
222.10292	0.6
229.07587	1.4
232.08879	0.8
233.09639	100.0
234.10417	15.7
235.07591	16.4
235.09837	1.3
236.08350	2.8
237.09058	0.7
249.09076	1.6
250.09886	20.3
250.12312	32.6
251.12761	0.4
265.12262	26.4
271.16986	0.7
275.10767	0.6
279.12283	0.7
282.14908	0.9
283.06085	0.6
289.18042	2.4
292.13373	7.7
324.12708	0.6
324.16022	7.5
325.14157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17064	0.5
55.01869	0.6
55.05506	0.9
57.03433	0.9
58.06596	1.0
60.04535	0.6
60.08157	0.9
67.05504	1.9
69.03435	1.5
69.07069	1.1
69.65878	2.4
70.06601	5.1
71.05004	1.1
72.08163	10.4
74.06067	0.5
76.20827	0.5
79.05495	1.1
81.07064	2.5
82.06574	4.1
84.04511	1.7
84.08158	5.0
85.02903	3.8
85.06551	100.0
86.09719	2.3
88.04007	0.7
91.05484	1.4
93.07064	1.3
95.06130	0.5
95.08586	1.3
97.02895	0.7
97.06521	0.5
98.20676	0.5
98.97567	0.5
100.07619	1.0
105.07037	1.0
107.08616	0.6
109.02907	0.7
109.06580	0.6
110.07166	0.6
110.21085	0.6
116.07090	1.6
120.08085	0.6
121.06533	0.6
121.10156	1.1
127.03937	0.6
127.07574	2.1
128.07091	16.5
129.10252	0.6
137.06024	4.4
139.11128	0.7
145.08612	53.5
149.06070	0.6
151.07600	1.0
157.12228	1.0
161.06000	0.8
162.05542	1.5
162.11290	0.7
163.06250	0.5
163.07498	0.7
171.08051	0.6
175.11192	0.8
177.05487	1.0
178.05849	1.0
179.03329	0.7
180.08714	1.9
201.09059	0.8
203.10767	1.1
204.08897	1.0
210.18657	1.0
214.13544	0.5
232.08521	1.1
236.20131	7.7
242.09059	0.5
253.22935	0.8
260.16525	0.9
262.02170	0.6
264.11160	0.9
292.10562	2.7
306.17120	2.3
307.27499	4.8
309.10941	0.7
324.13132	3.2
324.18201	10.8
324.21628	1.0
324.30188	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	324.1079
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.03943	0.2
55.01863	0.3
55.05495	0.4
56.05045	0.2
57.03431	0.5
58.06597	0.8
60.04519	0.8
61.02922	0.8
67.05514	0.3
69.03441	1.9
69.07095	0.2
70.06598	2.2
71.04990	0.4
71.51533	0.3
72.08161	1.3
73.02902	0.5
74.06072	0.7
76.55767	0.2
81.03424	0.9
81.07054	0.9
84.04506	0.7
84.08155	1.3
84.46344	0.2
85.02912	4.1
85.06546	1.5
86.09706	0.9
87.04451	0.3
87.05588	0.2
91.03963	0.3
91.05479	0.5
93.07069	0.3
97.02910	1.3
99.04459	1.5
107.04955	0.5
109.02891	0.3
109.06528	0.3
116.05023	0.3
116.07121	0.4
120.06594	0.3
120.08110	1.4
127.03940	1.0
127.07555	2.6
128.64308	0.2
129.10278	0.4
130.05051	0.3
130.08643	0.3
131.08179	1.1
134.06030	0.6
145.05028	1.0
145.08598	0.8
148.04692	0.2
155.09395	0.2
156.51796	0.2
159.07709	0.8
161.02185	0.3
162.05511	100.0
163.03932	2.2
163.05887	0.5
166.08626	0.7
168.17548	0.2
170.37633	0.2
172.08701	0.4
175.11064	0.3
179.03339	0.3
185.04282	0.5
185.97427	0.2
186.04564	0.6
190.09828	1.3
191.08165	0.7
203.03731	2.3
210.18538	0.3
253.19843	0.4
307.12808	0.3
308.59616	0.3
324.07477	1.2
324.10950	7.6
324.15341	2.2
324.18527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1081
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.03944	0.2
55.01854	0.2
57.03444	0.2
58.06600	2.4
59.89638	0.2
61.02924	0.5
69.03436	1.6
69.33852	1.5
70.06586	0.6
71.04982	0.3
72.08153	0.2
73.02916	0.6
81.03427	0.9
84.08150	0.4
85.02385	0.2
85.02907	4.4
85.03380	0.4
86.09701	0.3
86.34890	0.2
87.04469	0.5
88.03997	0.7
91.03981	0.2
95.04979	0.2
95.21671	0.2
97.02900	1.2
98.97588	0.3
99.04464	0.5
109.02944	0.4
109.06422	0.2
120.08134	0.3
127.03921	1.1
127.07626	0.2
134.06024	0.9
145.04991	1.0
146.06029	0.5
151.03917	0.2
155.65614	0.2
160.07573	1.3
161.07921	0.6
162.05516	100.0
163.05911	1.0
324.10797	6.4
324.14252	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	323.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
66.20642	12.8
67.05505	33.8
67.77004	13.1
69.07071	37.8
79.05498	98.8
81.07049	58.1
86.09692	34.9
91.05486	59.2
93.07066	34.7
95.04994	20.6
105.03413	13.4
105.07033	49.5
107.04972	20.3
107.08586	87.6
119.08607	22.6
121.10148	21.8
124.11129	13.5
133.10146	16.7
135.04414	27.7
147.11710	42.9
151.07454	17.7
157.77158	13.5
175.11205	16.2
260.20145	100.0
278.21149	86.3
323.12741	46.4
326.66235	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46482	0.6
53.03950	1.3
54.54937	0.6
55.01868	3.0
55.05517	6.0
57.03444	6.0
59.04997	2.5
59.92240	0.6
62.65347	0.6
65.03938	2.6
67.05508	24.8
69.03452	0.7
69.07072	17.8
69.95396	3.0
71.04999	5.9
72.08144	1.4
73.06563	5.5
79.05066	1.1
79.05499	13.3
81.07061	13.5
83.04982	1.9
83.08616	2.5
85.06559	6.0
87.63650	0.6
91.05488	11.6
93.07050	12.4
95.04974	12.0
95.08616	8.4
97.06536	1.7
97.10184	1.0
99.08099	100.0
100.08438	0.8
105.07041	10.1
107.04961	3.1
107.08604	7.4
109.06524	16.0
109.10177	2.0
111.08059	1.7
113.06017	2.6
115.05482	1.2
116.06240	1.0
117.07033	4.5
119.08595	8.1
121.06512	2.7
121.10139	5.8
123.08069	3.6
125.09628	0.8
127.07565	6.1
128.06252	1.0
129.06999	3.4
131.08577	8.4
133.06485	1.6
133.10133	5.5
135.04419	0.6
135.08054	10.6
135.11720	3.3
137.06024	1.0
137.09648	1.6
141.09132	1.7
143.08580	2.7
145.10127	5.5
147.08061	3.7
147.11729	2.0
149.09657	4.2
149.13257	1.1
157.10147	4.6
159.08081	1.3
159.11700	3.2
161.06027	0.7
161.09647	5.4
161.13257	1.2
163.11150	3.7
169.10147	0.6
171.11710	2.0
173.09702	1.1
173.13293	1.2
175.11203	1.9
177.12701	1.5
181.10132	0.7
183.11818	1.0
185.13205	1.3
187.11223	0.7
189.12796	0.9
191.57674	0.8
195.11807	1.1
195.13847	1.5
199.14905	1.4
201.12782	0.8
203.14375	0.6
213.16495	1.2
217.15901	7.3
219.13858	1.1
227.17993	0.7
231.08142	0.8
237.16493	1.2
245.19058	2.1
249.18544	1.1
252.23213	1.3
255.17432	3.2
263.20117	1.1
273.18515	18.0
275.20081	0.9
291.10150	1.5
291.19540	18.9
292.10880	1.1
299.42126	0.6
305.21158	7.9
323.05624	1.1
323.09213	1.9
323.12866	2.4
323.22314	2.0
323.30844	0.7
327.75629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.1
53.81140	4.1
55.05506	4.6
59.77999	4.1
67.05506	9.5
69.07074	6.5
71.53673	4.6
71.54366	3.6
72.08159	18.9
79.05505	24.1
81.07055	11.2
86.38120	3.5
91.05485	14.3
93.07050	42.7
95.08618	8.7
105.04490	4.2
105.07059	7.5
106.92028	3.9
107.08590	5.9
111.48646	3.7
119.08575	16.3
121.10143	21.1
121.63297	4.4
135.04442	47.0
136.05180	5.8
139.09898	7.9
151.07521	11.2
161.05890	4.2
161.13251	16.4
177.05435	4.4
189.12744	5.0
201.09099	9.7
201.90724	4.4
202.07889	4.9
203.08626	6.6
219.08092	7.4
231.07974	10.0
233.09579	5.6
237.11029	10.5
247.07474	3.9
248.08231	9.7
248.10661	4.6
249.09123	5.6
249.11456	10.6
250.11821	47.6
251.09016	6.5
259.07422	4.7
260.20129	77.0
261.09131	13.1
263.10638	7.8
265.10727	15.7
266.11404	24.5
267.85535	3.9
277.08649	9.0
278.21179	23.7
280.13232	15.9
281.13669	100.0
291.10175	22.3
292.10928	15.5
293.08380	4.5
293.11795	4.3
308.10550	19.5
323.12698	42.5
323.14838	28.0
338.59244	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	323.222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41231	0.8
53.03947	1.3
55.01877	5.0
55.05519	4.9
57.03444	27.4
57.07066	2.5
65.03931	2.2
67.05511	25.0
67.70683	0.8
69.03426	1.5
69.07088	4.2
70.75602	0.8
71.04993	3.1
71.08622	0.9
71.51881	1.7
77.67509	1.0
79.05507	10.0
81.03385	1.0
81.07070	14.6
83.04996	2.3
83.08611	2.8
85.06551	31.8
91.05502	8.1
93.07060	11.9
95.04977	42.5
95.08614	6.0
97.06531	2.6
97.10148	1.4
105.07044	7.1
107.04954	3.5
107.08611	8.7
109.06529	29.4
109.10146	2.3
111.04436	1.8
113.06020	100.0
117.07033	5.8
119.08588	4.4
121.06549	2.4
121.10111	4.4
123.08067	2.2
128.06244	1.2
129.07008	2.7
131.08546	6.9
133.10126	4.1
135.04440	11.8
135.08076	22.8
135.11679	3.8
137.06009	1.7
141.09117	1.0
143.08580	3.8
145.10136	6.5
147.08060	2.9
147.11687	1.7
149.09605	4.0
149.13271	1.7
151.07535	4.0
151.11069	1.4
153.12680	1.6
157.06483	1.0
157.10196	2.2
159.11668	2.5
161.09607	3.5
161.13228	1.3
163.11176	1.4
165.12794	2.4
171.11708	2.3
173.13261	1.6
177.12807	3.1
182.42790	0.9
191.10695	1.1
199.14885	1.5
201.09131	2.3
201.12701	1.7
202.07697	1.1
203.08603	3.0
217.15912	7.9
219.07999	2.5
220.08813	1.1
227.12816	1.1
231.08063	3.3
232.08876	0.9
247.07500	1.9
248.08409	5.0
249.09088	2.4
255.17438	2.6
259.07568	1.1
261.09207	1.7
262.09991	1.6
263.07281	1.2
263.10745	2.4
265.08588	1.3
265.12122	1.3
273.18518	14.2
276.07895	2.0
277.08582	2.2
277.41837	0.9
291.10175	7.4
291.19571	41.4
292.10989	3.8
293.08145	1.7
293.11752	1.6
305.21161	5.1
307.09598	1.1
308.10504	4.6
315.90137	0.8
323.09137	3.3
323.12775	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1605
Annotation	Terezine B
Peak:m/z	Relative Intensity
53.76074	0.3
56.96549	0.3
57.19400	0.3
58.06589	0.3
66.63097	0.3
69.03448	1.4
69.07062	0.6
69.69302	0.6
69.69709	1.6
72.04485	0.4
79.05512	1.6
80.05005	0.7
80.23486	0.3
81.03405	0.3
81.07059	1.7
83.04967	0.3
87.05586	0.7
91.05489	1.8
92.04978	0.4
93.07050	1.5
94.06567	0.5
95.04954	1.1
95.08583	0.6
97.06518	0.4
98.06026	0.3
98.20273	0.4
100.11240	0.5
105.07049	1.8
106.06568	1.6
107.04952	0.4
107.08564	0.7
117.07031	0.4
118.06536	2.4
119.07309	0.6
119.08562	0.8
120.04438	0.7
120.08088	0.9
121.06577	0.5
121.08908	3.4
121.09747	0.4
121.10110	0.6
123.04428	0.3
124.68376	0.3
125.05953	0.3
131.08604	2.5
132.08119	1.7
133.09068	0.4
133.10121	2.1
134.05980	0.9
134.09668	0.8
135.04398	0.6
136.07574	0.3
137.05983	1.1
140.07063	0.9
141.05447	0.4
145.08865	0.5
145.10094	1.5
146.06046	2.5
146.09639	2.1
147.07996	0.4
147.10406	0.9
147.11691	1.0
148.07578	0.6
148.10138	0.4
148.11220	3.7
149.06010	0.5
149.09630	0.5
150.05498	1.6
152.07043	1.0
158.09706	2.1
159.10454	0.6
159.11737	0.3
160.07608	1.4
160.11266	2.7
161.06015	0.4
161.11993	1.0
164.07079	1.8
172.11241	2.0
173.09518	0.4
173.11961	0.5
174.12755	0.8
176.07010	0.5
176.10684	0.5
177.05450	0.4
178.04939	0.3
178.08690	1.7
190.08643	0.6
190.12299	1.0
191.10681	0.6
192.10202	1.5
199.07648	0.5
200.10677	0.7
202.12352	0.3
203.08556	0.5
204.10191	2.1
205.10963	2.6
206.08160	5.1
206.11751	4.3
207.12500	0.4
208.13330	2.0
210.07735	0.6
218.11780	19.3
220.13300	1.9
231.08023	0.5
232.13332	1.4
234.14850	0.6
236.09183	0.7
236.12811	1.6
246.11319	1.7
248.08340	0.4
259.07663	0.3
263.11075	0.3
263.13843	1.6
264.12329	92.1
265.12555	0.5
275.18591	0.3
276.07800	0.4
277.08942	0.4
278.13904	36.2
279.14191	0.4
280.15454	4.0
291.10300	0.7
295.16479	0.5
306.13422	3.1
317.06674	0.7
318.07205	0.4
323.16046	100.0
324.16400	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1281
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
56.05030	2.0
61.01101	1.1
65.45628	0.8
69.03419	1.5
70.06586	1.5
71.46358	1.3
72.08162	1.3
76.78013	0.8
79.05495	3.1
81.07076	1.3
82.59789	0.8
83.04979	1.1
84.08151	1.0
85.02919	1.2
91.05477	3.0
94.04163	1.0
95.08619	1.0
97.02907	1.0
97.06609	0.9
98.06060	0.8
99.04463	1.2
102.04720	1.4
103.05482	4.3
103.82151	0.9
104.05342	3.9
105.07044	15.3
107.05012	0.8
109.06560	1.0
111.27933	0.8
115.05453	8.8
117.07034	1.9
118.04124	1.3
121.02926	1.2
121.03989	0.8
121.06572	0.9
122.03645	2.9
128.06274	1.4
130.04175	1.1
131.04980	4.6
133.03175	1.9
133.06509	8.9
135.04346	1.1
137.05988	39.5
139.05440	0.9
143.06056	2.7
146.03659	4.7
146.06279	1.7
146.07298	2.2
147.04387	2.7
149.05969	8.2
150.05783	3.1
151.07568	1.3
159.08090	2.1
160.05167	1.5
161.05995	71.9
162.06715	2.6
163.07581	1.7
165.07019	1.6
167.04927	2.0
171.08075	1.0
175.07527	1.6
177.05453	7.6
187.07591	0.9
189.01881	2.5
191.08516	3.1
192.09355	2.0
199.07603	8.9
202.07773	13.6
203.06686	1.7
203.08577	30.8
204.09326	1.3
205.06546	3.1
219.08092	8.4
220.08852	8.7
221.09610	0.9
230.07268	2.1
231.08069	43.4
232.08847	6.2
235.11139	2.2
237.09161	1.9
245.09578	1.9
247.07581	6.8
248.08344	24.3
249.09184	2.2
251.06993	1.0
258.06796	2.5
259.07571	32.9
260.08350	14.6
261.09149	2.4
262.09869	2.4
263.10687	28.2
265.08582	4.8
273.09283	1.8
274.09790	1.3
275.07053	2.3
276.07831	16.5
277.06003	0.9
277.08551	4.7
278.05582	0.9
279.10278	1.0
280.11111	2.6
290.09439	1.8
291.10168	100.0
292.10828	3.6
293.08020	5.0
295.06183	2.1
295.13300	3.3
305.11880	1.2
308.10361	6.9
323.05508	7.6
323.12790	93.7
324.13150	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	323.128
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
53.03952	0.8
55.01871	1.6
56.96563	0.8
58.06586	1.3
67.05507	0.9
67.68624	0.7
69.07050	1.1
71.03798	0.9
75.52728	0.6
79.05463	2.6
81.03439	0.7
81.07051	2.6
82.24174	0.6
91.05467	2.3
93.07069	2.7
94.04208	0.7
95.04951	1.2
95.08601	2.0
98.97542	0.8
103.05466	3.0
105.03379	1.2
105.07040	10.3
107.04965	0.9
107.08617	1.2
109.06536	2.0
109.10111	1.1
109.89442	0.7
115.05464	2.6
119.08515	0.9
121.06490	1.4
122.03632	2.2
128.06215	0.7
131.04926	3.7
133.06493	7.4
135.04448	1.3
137.02379	1.3
137.05989	25.6
143.04924	0.8
143.06012	1.1
146.03642	3.6
149.05940	0.9
154.40916	0.6
156.05711	1.6
157.06500	0.8
159.07990	0.8
159.95628	0.7
161.05992	67.5
165.06937	1.2
171.08084	0.8
175.03789	0.7
175.07555	1.7
177.05560	0.9
178.07870	0.9
184.05174	2.5
190.07703	0.9
191.08463	3.7
192.09343	1.9
199.07542	11.8
202.06393	0.4
202.07784	16.4
203.08574	28.1
204.09387	1.5
205.06415	2.7
207.08214	1.0
215.08604	1.8
216.09441	0.8
218.07176	0.7
219.08104	9.3
220.08852	10.1
221.09602	1.1
229.06404	1.1
230.07294	4.1
231.08064	47.2
232.08864	7.8
233.06032	1.7
235.07631	1.2
235.11261	2.3
237.09010	1.3
242.07249	1.2
243.08226	1.1
245.09561	1.4
247.07588	7.7
248.08362	26.0
249.08987	2.0
258.06708	3.9
259.07568	35.7
260.08353	27.3
261.09198	2.3
262.09897	1.8
263.10684	20.9
265.08405	2.1
273.08960	1.1
274.09802	0.9
275.07077	5.4
276.04962	1.6
276.07837	18.3
277.08606	5.4
280.10635	1.0
291.10172	100.0
292.07870	1.3
292.10776	6.0
293.08090	5.6
295.13373	2.8
308.10367	4.1
312.30142	0.8
323.09717	3.1
323.12790	71.1
331.41281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1282
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
69.24648	0.7
69.36732	4.2
69.37141	1.2
79.05524	1.4
81.07080	1.3
91.05512	1.5
103.05481	1.9
105.07042	10.0
107.05009	1.1
109.06527	1.0
115.05484	2.7
122.03647	1.4
131.04935	1.2
133.06516	7.5
137.05994	13.4
139.05498	0.8
143.06049	0.8
146.03624	5.0
159.08122	0.8
161.05994	75.5
167.04976	1.3
175.07639	1.2
184.05130	0.9
189.07083	0.7
191.08542	3.5
192.09370	2.6
199.07555	6.1
200.06181	0.8
202.07777	16.1
203.08597	27.8
204.09201	1.1
205.06540	2.4
205.10139	1.2
206.07191	1.0
213.07030	1.7
215.08534	1.5
219.08020	10.3
220.08849	10.5
230.07332	3.9
231.08072	48.8
232.08781	6.8
233.05963	1.7
233.09561	0.9
235.11298	1.8
237.09064	1.5
241.06584	0.8
243.08200	1.7
245.09595	1.4
247.07571	8.6
248.08331	21.7
248.10768	1.2
249.09084	1.7
258.06720	3.7
259.07565	38.2
260.08356	27.3
261.09167	2.0
262.09845	2.1
263.10703	21.4
265.08655	2.9
273.09189	1.4
274.09933	1.2
275.07040	5.2
276.07843	19.4
277.08688	3.6
280.10898	1.7
290.09390	1.5
291.10178	100.0
292.10812	3.4
293.08136	4.6
295.13306	1.5
307.09592	0.9
308.10385	4.8
323.09467	4.2
323.12787	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1279
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.05504	0.3
57.07050	0.3
60.39179	0.3
68.76917	0.3
69.07053	0.5
69.59670	0.7
69.60101	1.3
71.04985	0.7
71.08607	0.5
81.07039	0.7
85.02891	0.4
91.05470	0.3
95.08587	0.5
96.78860	0.3
98.20763	0.6
128.06232	0.6
137.05878	0.3
143.08528	0.5
149.05922	0.6
151.07457	0.3
152.06163	0.5
153.06952	0.7
161.06013	0.7
165.06972	0.5
169.06429	0.4
170.07228	0.4
171.08073	0.6
175.07526	0.6
178.07652	0.5
181.06473	1.3
181.10101	0.3
187.07497	0.7
189.07042	0.5
191.08534	0.9
192.09302	1.0
194.07327	0.3
195.08049	0.4
197.05901	1.0
198.06747	1.8
199.07582	3.0
201.09128	0.7
202.07814	4.9
203.08574	16.9
204.09229	0.4
205.06491	2.3
205.10249	0.3
206.07149	0.7
207.08087	0.9
208.05139	0.4
209.06029	0.5
209.09663	2.2
210.06757	1.4
211.07539	1.2
212.08318	0.4
213.09090	1.0
215.08531	0.5
216.09274	0.3
217.06454	0.4
217.10051	0.4
218.07283	0.4
219.08047	4.2
220.08800	5.7
221.09584	1.0
222.06711	0.8
224.08325	1.1
224.11971	0.3
225.09128	0.9
226.06223	3.2
227.06952	0.8
230.07275	0.9
231.08066	21.2
232.08847	4.3
233.06039	2.8
233.09673	0.8
234.06743	1.5
235.07545	0.7
235.11139	1.1
237.05441	0.6
237.09158	2.8
238.09784	0.3
239.07004	0.8
239.10669	0.9
240.07793	0.7
241.08603	7.6
245.09686	1.5
246.10435	0.3
247.07561	4.4
248.08347	27.0
249.09073	4.9
250.06177	1.9
250.09962	0.5
251.07051	2.3
251.10687	0.7
252.08069	0.7
252.11427	2.6
253.08504	0.3
254.09540	0.6
255.06520	0.7
258.06772	0.8
259.07553	9.0
260.08359	3.5
261.05817	1.6
261.09039	2.3
262.06519	1.8
262.09903	3.9
263.10696	21.5
264.07800	1.2
264.11374	1.0
265.08612	6.3
265.12204	1.3
267.10361	0.5
267.13925	0.9
269.08102	5.7
270.08817	0.4
273.09100	1.2
274.09833	1.0
275.07068	1.4
275.10632	1.1
276.07831	18.2
277.08606	12.1
277.11588	0.3
278.05716	1.8
278.08710	0.5
279.06528	2.4
279.10138	1.8
280.07391	1.6
280.10944	2.8
281.11398	0.3
290.09375	2.5
291.10168	49.4
292.07321	1.3
292.10867	9.3
293.08112	8.9
293.11380	0.7
294.08832	3.6
295.09650	3.2
295.13300	2.5
305.11761	6.7
307.09653	5.4
308.10428	11.5
323.12793	100.0
323.19769	9.3
324.13098	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.128
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
51.02376	0.8
53.03954	1.1
55.01874	0.8
60.09979	0.4
69.62552	1.8
69.62956	0.6
77.03945	1.2
79.05505	4.8
86.92203	0.4
89.03960	0.4
91.05492	1.8
91.53091	0.3
95.04983	1.6
98.20697	0.4
105.03405	1.8
105.04510	0.9
107.04960	2.3
108.05755	0.6
115.05453	0.8
121.06487	0.6
125.36932	0.3
128.06230	0.5
129.07019	1.1
135.04430	97.5
136.05222	10.0
137.05988	0.5
141.06909	0.4
145.06520	0.4
147.04449	2.5
151.07561	29.8
155.04875	0.6
157.06522	3.2
158.07285	3.0
165.07104	0.4
172.05260	0.6
173.06001	0.8
174.75357	0.4
175.07620	0.6
178.07767	0.4
179.08591	0.7
181.06554	0.6
185.05994	9.7
186.06738	1.9
189.07059	1.0
190.07715	1.9
191.08618	2.0
195.08090	0.5
199.07579	0.4
200.08308	0.4
201.09119	17.7
202.07805	0.9
202.09618	0.4
203.08566	3.5
204.09293	1.0
205.06543	0.5
205.10246	1.0
207.08081	5.0
209.05998	0.7
209.09685	0.4
217.06459	0.7
218.07323	4.1
219.08092	8.2
220.08839	0.7
221.09622	2.4
221.80208	0.3
222.06783	0.7
222.10387	1.5
223.07520	0.8
225.09222	0.4
229.79303	0.4
230.07327	0.5
231.08051	5.0
232.08856	1.0
233.06033	0.7
233.09645	9.7
234.06859	0.7
234.10422	7.4
235.07550	7.8
235.11205	0.7
236.08360	0.5
237.09135	1.1
239.07050	0.8
239.10703	0.6
245.09654	0.8
245.34912	0.4
246.06790	1.4
246.10535	0.7
247.07590	6.1
248.08426	1.6
249.06796	0.6
249.09155	7.5
250.06299	1.5
250.09909	4.8
251.07031	2.6
251.10852	0.7
254.09355	0.4
259.07605	1.2
260.08365	0.4
261.09146	20.6
262.06134	0.6
262.06689	0.7
262.09912	11.2
263.07080	5.4
263.10626	1.6
264.07629	0.7
265.08655	7.4
265.12271	12.6
266.12555	0.6
267.06497	1.4
274.09918	1.4
275.07047	1.4
275.10474	0.5
276.07895	2.3
277.08643	9.1
278.05829	1.3
278.09418	6.5
279.06503	1.0
279.10089	1.1
280.07401	1.6
280.10913	0.4
282.08951	2.3
289.08990	0.4
290.09436	0.5
291.10178	7.6
292.10953	30.1
293.08124	11.6
293.11734	17.4
293.15182	0.6
295.09705	7.7
295.12955	0.5
305.11743	2.2
307.09644	1.0
308.10461	33.8
309.10828	0.6
323.12802	100.0
324.13089	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.0
56.96561	2.0
58.06594	1.2
64.36727	0.8
69.03425	2.1
70.06583	3.6
71.04974	0.9
71.51716	1.5
72.08144	2.6
74.06095	0.9
78.58755	0.8
84.08141	2.1
85.02918	4.0
86.09696	2.5
91.05467	1.3
97.02893	1.8
98.97566	2.4
116.98563	0.9
119.01969	0.9
121.06503	2.6
123.04485	0.8
123.05524	2.0
126.84485	0.8
127.03903	1.6
129.10175	1.2
129.36223	0.8
131.01941	1.3
131.15256	0.9
135.04407	3.2
141.05443	3.5
143.26526	0.7
150.28860	0.9
151.07578	0.9
163.03915	1.5
173.02913	1.2
177.05440	1.7
178.05855	1.3
185.04333	4.3
189.74162	1.0
190.05087	1.0
197.06523	1.0
215.05527	1.4
221.04898	1.8
221.06758	1.5
233.06573	2.4
235.08380	1.0
263.10455	1.0
282.87491	0.8
291.10156	1.2
292.10931	1.2
293.07916	1.1
308.10373	0.9
323.07407	5.6
323.10965	100.0
324.11151	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.0
61.94437	0.6
64.71051	0.5
67.05486	0.5
69.03410	1.6
69.04598	0.5
69.07063	1.1
70.06594	5.9
71.51575	0.8
72.07812	0.6
72.08159	7.4
74.06034	0.8
79.05487	0.9
79.30233	0.6
81.07012	0.8
84.04506	2.6
84.08145	3.7
85.02880	2.0
85.06511	0.9
86.09730	2.9
89.03910	0.6
91.05476	1.7
93.07072	1.5
95.08575	0.8
97.02921	0.8
98.97583	0.8
99.58831	0.6
102.05540	0.7
105.06982	0.8
107.04935	0.7
110.07140	0.6
119.04901	1.8
120.08081	1.2
121.06515	3.1
129.10225	1.4
130.05009	1.5
135.04367	1.9
137.05896	0.9
145.02827	1.6
146.06038	1.3
147.04431	5.5
147.14940	0.9
156.06563	0.5
160.07654	0.7
161.02144	1.0
162.05542	2.7
163.03867	1.3
175.08713	0.9
177.05449	2.0
185.04205	1.3
187.03766	0.7
189.05420	1.3
189.10201	0.9
203.08328	2.9
211.84970	0.6
217.04947	0.8
217.09662	1.8
231.07947	1.6
233.06480	1.1
245.09152	1.0
248.08354	1.6
252.19591	3.6
259.07410	0.7
262.09686	0.6
263.05466	0.9
263.10385	5.6
275.07181	0.6
276.07767	0.7
277.08661	0.9
290.81540	0.6
291.10062	3.8
292.10812	1.1
293.07965	1.3
308.10123	1.0
323.10950	100.0
323.26901	2.3
324.11212	0.8
338.19525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01847	1.8
55.05509	2.0
57.03431	2.0
58.06596	2.6
61.02935	3.5
67.05491	3.0
68.83852	1.3
69.03440	12.0
69.07073	2.8
70.06609	13.3
71.04978	2.5
71.51295	2.5
72.08161	37.8
73.02927	2.1
74.66454	1.3
79.05525	2.3
81.03416	4.6
81.07050	5.0
84.04488	5.9
84.08149	14.3
85.02512	1.9
85.02921	18.1
86.09723	10.1
87.04453	2.3
88.03967	2.1
91.05489	3.5
93.07051	3.1
95.04945	1.9
96.08099	1.5
97.02887	8.7
107.04948	1.7
107.08591	2.0
109.02883	2.1
110.07153	1.5
116.07079	2.3
119.04985	3.8
120.08124	3.0
121.06514	1.9
124.07584	1.5
127.03934	3.5
129.10254	2.8
135.04440	2.2
137.05936	1.9
147.04420	10.2
149.05954	1.5
161.02124	39.9
162.05521	24.4
175.08748	1.8
176.07085	1.6
177.00497	1.5
177.05403	1.9
185.04236	60.6
197.03036	2.1
198.06796	1.7
203.05341	16.0
203.08392	4.4
217.09753	1.7
249.05708	1.7
252.19603	28.1
263.05313	1.5
263.10483	7.2
291.10181	8.2
308.10205	2.0
323.07281	100.0
323.11185	82.0
323.19351	2.1
323.26904	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	323.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71758	3.0
69.73635	16.3
74.96033	3.0
84.08146	12.2
84.85912	3.5
143.02003	5.7
161.02971	5.9
173.02956	4.2
191.45686	3.0
248.89708	4.4
323.07394	100.0
328.66623	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03442	1.0
58.06604	7.4
59.06951	1.4
61.02936	0.9
68.99792	1.4
69.03422	2.1
70.06586	2.5
71.51939	1.3
72.08159	1.3
74.59562	0.7
75.37936	0.8
77.03950	0.9
81.03411	3.3
81.07055	1.7
84.04501	1.4
84.08156	1.0
85.02917	12.7
86.09673	0.8
87.00819	3.7
91.05489	2.3
95.04986	0.8
97.02898	2.2
98.97572	3.4
103.05452	2.3
105.03389	1.0
107.04943	2.0
107.08599	1.0
109.02883	12.1
110.03655	6.3
110.97617	1.1
111.04458	10.6
115.05466	2.2
117.07027	6.8
119.04948	3.2
121.02875	0.8
121.06491	2.0
123.04440	3.4
123.05572	1.4
127.03952	1.5
127.05381	0.7
128.06216	0.9
128.82265	0.7
129.06995	1.2
131.04922	2.2
135.04399	2.4
137.02353	9.0
141.05467	1.8
141.55052	0.7
142.05769	1.0
143.00223	0.8
145.02815	1.8
145.06502	10.0
146.03215	1.0
147.04420	29.6
149.05980	2.7
149.09630	0.9
151.03885	1.3
155.04889	2.1
155.06055	3.2
159.04396	1.3
160.07545	4.4
161.05931	1.0
161.07939	2.6
163.03879	1.4
163.07651	0.7
171.02870	1.4
173.05969	19.4
174.07628	0.8
175.03929	16.7
175.54207	0.7
177.05481	4.2
178.05832	1.4
180.07639	1.0
183.04520	1.5
184.05234	0.8
185.04201	1.5
187.03943	0.8
189.03946	1.8
189.05475	1.1
191.06996	1.6
195.02948	1.1
201.05470	19.4
201.09747	0.9
203.03368	0.9
208.03041	1.0
219.06540	100.0
220.06795	0.9
234.07672	3.0
235.11658	0.8
237.04054	9.5
237.07607	3.2
245.04453	1.2
252.04533	0.7
275.05487	0.9
279.13464	1.9
284.27881	0.7
287.05316	1.0
305.06537	2.8
323.07309	3.1
323.11249	9.3
323.16568	1.7
323.21472	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	60.9
60.21770	0.9
61.02924	3.6
61.36256	1.1
70.06588	1.5
70.98130	20.1
71.51398	1.3
71.95261	4.3
72.96044	2.4
73.02896	1.4
74.97594	3.7
84.08125	2.6
84.96025	3.5
85.02902	2.8
86.97593	6.1
88.99153	6.2
91.40006	0.8
94.43872	1.0
98.97593	100.0
100.99152	6.0
101.00871	2.8
103.00633	1.5
104.98637	0.9
110.97571	8.9
112.99152	5.1
114.97071	12.5
115.00681	3.4
116.07093	2.6
116.98630	45.5
119.00163	1.0
119.01925	3.8
121.01698	2.3
124.95491	13.0
124.99090	1.4
126.97005	3.5
127.00674	1.0
128.98615	13.2
131.00159	3.2
131.01910	2.0
132.98105	20.4
133.01688	2.8
133.03497	2.5
134.99643	10.8
140.00127	1.0
140.98561	2.5
142.96529	7.7
143.00169	4.9
143.01878	8.6
144.98143	5.0
145.01743	3.4
145.03482	1.7
146.99652	14.3
149.01147	3.1
150.99152	18.3
152.94980	4.5
154.96544	1.4
155.01932	3.2
156.98093	3.4
157.03529	1.2
158.99684	8.2
160.97557	1.5
161.01218	2.3
161.02963	5.7
162.99132	2.7
163.02728	2.1
165.00711	5.8
167.01952	1.1
169.00162	3.0
170.96031	20.0
170.99620	1.6
172.97626	5.0
173.01280	2.6
173.02995	4.6
174.99165	20.3
175.02844	1.4
175.04538	1.6
177.00716	7.3
183.01709	0.9
184.97603	12.3
185.02881	1.1
186.99155	1.8
188.97084	27.8
189.00691	11.4
190.98677	6.3
191.02219	2.9
191.03922	1.5
192.59105	1.0
193.00221	36.9
196.43945	1.1
197.03044	1.7
201.00751	2.8
202.98639	23.1
203.02319	1.3
203.03975	5.8
205.00259	2.7
206.98164	7.9
207.01755	8.1
208.99669	4.0
211.01280	5.8
212.97075	7.8
217.00217	5.8
217.97372	1.0
218.03543	1.6
219.01773	2.8
219.03682	1.0
220.06764	1.6
220.99709	25.3
221.03114	2.1
221.05087	2.3
230.98143	29.7
231.01703	1.2
232.99628	1.9
233.05029	1.2
235.01306	7.7
237.02869	1.4
237.13394	5.0
239.00787	12.0
244.99699	25.9
248.99165	8.8
249.02855	1.8
251.04510	1.2
253.02222	1.6
255.14392	8.0
257.01587	1.2
263.00763	51.6
263.06201	5.1
264.06177	1.1
272.67886	0.9
281.01822	34.2
281.12350	3.2
286.02283	1.6
291.03751	1.8
299.02814	9.2
299.13385	4.3
304.03268	1.2
305.01859	7.7
305.05045	1.5
323.02756	5.1
323.06534	7.0
323.13492	1.7
341.14386	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.7
56.05032	4.2
58.02956	15.0
58.06596	4.7
64.74908	3.7
67.05515	32.5
67.68030	3.7
69.07078	19.2
69.24096	20.1
69.24519	18.8
70.06598	42.6
79.05495	24.6
81.07077	25.9
82.06586	14.5
84.10201	4.1
84.78243	4.6
86.09708	6.5
91.05521	8.6
93.07050	10.8
95.08599	11.3
95.26439	4.1
96.08140	13.2
99.29129	3.9
105.07040	11.3
107.08620	8.2
109.10153	13.1
110.09669	3.9
112.07575	5.8
114.12763	6.4
118.11385	4.5
126.12811	41.4
128.63834	3.8
154.12263	12.7
157.10228	4.6
166.15964	39.8
182.15421	47.8
201.05896	3.8
210.14879	5.4
222.18564	59.6
231.97018	4.8
249.03435	4.6
256.33023	4.4
259.69482	4.4
291.10397	3.9
322.27554	100.0
322.31198	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	322.2741
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03950	0.7
55.05522	3.9
57.07077	0.9
60.04530	1.2
62.06093	100.0
65.03973	0.6
65.56241	0.5
67.05508	15.7
69.07072	4.1
70.02978	0.7
79.05501	8.6
81.07062	15.6
83.08620	1.7
91.05498	3.7
93.07047	10.3
95.04948	0.6
95.08611	12.1
95.09176	0.9
97.06557	0.9
97.10201	1.2
98.06097	0.7
98.21614	1.2
103.98170	0.5
105.07047	2.8
105.31872	0.5
107.08598	6.0
109.10159	4.8
115.83580	0.5
117.07021	0.8
119.08597	2.4
121.10160	4.4
123.11742	2.4
123.83688	0.5
131.08600	2.7
133.10156	1.4
134.19566	0.5
135.11716	2.8
137.13312	0.8
145.10159	1.1
147.11749	1.6
149.13332	2.4
159.11732	1.1
161.13268	1.0
163.14859	1.3
173.13264	0.8
177.16414	0.8
186.14908	0.5
187.14867	0.5
192.84496	0.5
200.16519	1.0
204.08961	0.7
214.18074	0.8
223.72134	0.5
226.18016	0.7
243.21101	2.4
261.22205	4.3
280.22507	0.5
291.19644	1.0
295.31689	0.5
304.26294	3.1
305.24844	2.0
314.79608	0.6
322.11639	1.4
322.27448	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	322.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.05512	3.3
57.07081	2.0
58.02957	1.8
59.04993	3.2
61.74923	0.9
67.05499	2.5
69.07075	7.8
69.73390	1.0
70.06605	2.2
71.05004	16.9
71.52323	1.8
73.06554	5.5
75.76814	1.0
77.45712	1.1
79.05496	6.8
81.07066	27.9
85.06583	1.2
91.05479	1.7
93.07048	20.5
93.15559	1.1
95.04971	2.3
95.08607	3.4
97.06544	3.3
98.97617	2.3
104.49136	1.1
105.07034	3.0
107.04951	3.1
107.08625	15.1
107.49818	1.0
109.10176	3.8
116.98659	1.3
119.08601	1.5
121.10129	1.3
129.07007	1.4
134.06052	1.6
135.04416	3.2
135.06830	10.1
135.07759	1.8
135.11707	30.7
137.02321	2.8
137.05992	2.0
152.07076	23.7
153.12766	100.0
157.78624	1.0
158.97672	1.0
160.42542	1.0
161.06024	1.7
175.07564	1.4
186.06770	1.4
187.07458	1.8
199.07587	1.4
203.08507	2.0
204.08929	1.7
232.08456	2.7
247.07700	1.3
258.32666	1.2
259.16797	1.4
262.09506	1.9
275.06879	1.8
290.08871	4.2
291.10016	3.0
292.10440	2.0
293.08151	2.7
307.09143	2.0
322.08206	2.0
322.11581	11.3
323.05597	1.7
323.09259	2.4
323.12772	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	322.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98030	0.7
53.03949	1.8
65.03944	1.7
67.05507	5.2
68.02658	1.5
70.06599	29.3
70.97739	1.5
79.05500	100.0
80.05840	0.7
81.03395	1.1
81.07065	11.8
83.04980	0.7
88.07631	1.4
90.04050	0.8
91.05483	20.0
91.06018	1.3
93.07047	3.6
95.04982	9.2
97.06541	1.0
98.06121	0.9
98.85902	0.8
105.04543	0.7
105.07043	14.7
105.07696	1.3
107.04977	6.0
107.08605	71.5
109.06537	2.9
112.07612	1.1
112.89937	0.8
119.06092	1.6
119.08581	3.9
129.07022	1.4
130.08690	2.8
130.52269	0.8
131.08594	2.8
133.06531	1.6
133.10152	8.2
135.04457	4.1
137.08386	5.5
138.09175	1.1
142.07814	1.5
145.10229	1.2
145.54370	0.8
147.08072	3.8
147.11688	9.4
149.13298	1.0
151.07549	1.1
155.09435	4.5
157.10107	2.7
175.11195	5.4
175.74387	0.8
182.94279	0.8
185.06006	0.8
197.10461	7.7
201.09248	0.8
204.13916	1.5
212.73106	0.8
244.16995	10.9
249.09146	0.8
261.09109	1.3
262.18042	10.9
280.19113	0.8
292.11008	1.6
293.08130	0.8
304.19098	66.3
308.10510	1.4
322.12164	1.0
323.12680	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	322.2015
Annotation	Croomine
Peak:m/z	Relative Intensity
52.22062	0.3
53.03933	0.5
55.01867	0.4
55.05508	1.4
56.05029	0.5
56.43985	0.3
57.05833	0.3
57.07071	0.3
67.05175	0.4
67.05506	5.1
68.05031	2.3
69.07056	0.9
70.06594	9.5
71.04968	0.5
71.52837	0.5
75.54410	0.2
79.05493	4.0
80.05009	0.7
81.07056	3.5
82.06607	0.6
83.04962	0.5
83.08595	0.5
84.08121	0.6
86.09690	0.3
86.13801	0.3
91.05473	2.2
93.05775	1.0
93.07047	3.0
94.06571	1.4
95.05009	0.4
95.08609	2.4
96.08125	0.6
97.06549	0.5
100.07622	1.5
105.07034	2.0
106.06564	2.8
107.07380	0.5
107.08618	1.3
108.08110	1.9
109.06502	0.4
109.10176	0.5
110.10518	0.3
114.05535	4.2
116.07040	0.3
117.07019	0.9
117.25186	0.3
118.06503	0.5
119.07333	0.4
119.08566	1.0
120.08099	4.6
121.08846	0.3
121.10136	0.6
122.09658	1.2
128.07089	1.9
129.07066	0.4
131.08545	1.1
132.08122	1.0
133.08853	0.7
134.09659	8.8
135.10416	1.6
135.11449	0.3
136.07634	0.4
136.11224	0.5
137.04677	0.3
138.09991	0.3
140.07076	0.4
143.08524	0.4
145.10130	0.7
146.09660	0.7
147.08115	0.3
147.11734	0.7
148.11215	7.9
152.07079	0.5
152.10681	0.4
154.08633	1.1
160.11183	0.3
162.12764	0.7
164.05693	0.5
164.07076	7.6
165.07883	0.6
166.08635	0.9
171.11757	0.3
173.01228	0.3
173.13164	0.3
178.08620	2.8
179.09435	1.3
180.10201	13.1
192.10078	0.6
192.17319	0.3
193.10979	0.7
194.08109	0.6
194.11816	1.0
230.18945	0.3
231.07823	0.3
232.17299	0.4
247.07463	0.3
248.08211	0.3
258.18491	1.5
260.20148	0.4
263.10797	0.3
274.18002	0.4
276.19589	7.9
285.89291	0.4
286.18216	0.3
291.10098	0.6
294.20514	0.5
302.17496	0.9
304.19070	17.5
307.09274	0.4
322.12366	2.4
322.20132	100.0
323.09271	0.6
323.12775	1.1
323.20551	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1551
Annotation	Makaluvamine K
Peak:m/z	Relative Intensity
50.01612	0.1
53.03939	0.4
61.38861	0.1
65.03924	0.2
65.31973	0.1
70.00005	0.5
77.03937	0.4
78.04694	0.2
79.05069	0.2
79.05496	2.4
89.03938	0.3
91.05487	5.1
95.04980	0.3
105.03423	0.4
105.04539	0.2
106.06556	8.6
107.04928	0.3
109.06521	0.5
114.76163	0.1
116.04977	5.8
119.06056	0.3
124.05218	0.2
130.06517	1.0
132.04463	0.4
134.06018	100.0
135.06383	0.3
144.04463	0.2
154.82283	0.1
157.07632	0.2
158.05980	0.2
161.99782	0.1
171.09190	3.8
177.10231	1.2
189.10231	8.5
202.63101	0.1
205.09723	2.3
205.11465	0.2
215.08211	0.4
272.49207	0.1
286.95538	0.1
322.12128	0.2
322.15509	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
55.05519	0.9
57.07077	7.7
58.06601	1.0
61.02935	1.1
67.05507	0.9
69.03430	2.5
69.07072	0.9
70.06601	18.7
71.51513	0.6
72.08156	5.2
74.09724	19.8
79.05484	1.6
81.07043	0.9
84.04494	2.1
84.08157	3.6
85.02914	7.7
86.06077	26.1
86.09716	4.6
87.04469	2.4
91.05482	1.3
93.07044	0.6
94.06554	0.8
95.01347	0.7
95.04947	1.3
95.08599	0.6
96.08111	0.5
97.02889	1.5
97.06525	1.1
102.05540	1.0
103.05498	0.8
105.07008	0.8
107.04938	0.9
110.07174	0.7
112.07608	1.6
115.05476	0.5
116.07096	2.0
118.24202	0.5
119.04900	0.6
119.08614	1.3
120.08118	3.0
122.07438	0.6
123.04459	1.2
127.03899	0.7
129.07053	0.7
129.10242	1.5
137.05995	1.5
142.12283	57.0
145.02907	0.8
146.07027	0.5
147.04413	0.9
159.11583	0.7
160.13344	100.0
161.13673	1.0
162.09213	0.7
164.07047	0.5
167.07005	1.2
177.05493	1.6
191.13142	0.6
192.13811	1.8
203.08369	0.7
229.07141	0.6
234.11327	0.6
245.09306	0.6
250.08878	0.6
255.08722	1.4
263.10410	1.8
278.13873	1.4
322.13266	1.8
322.16525	18.7
322.19736	0.8
323.12689	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2015
Annotation	Lycoposerramine N
Peak:m/z	Relative Intensity
50.05448	1.0
51.02376	0.9
53.03954	2.2
53.15999	0.9
55.05505	2.7
56.08680	0.9
62.46896	1.0
65.03941	2.9
67.05177	1.5
67.05511	17.7
68.02639	2.3
69.03426	1.9
69.07076	3.0
69.97996	4.6
70.06597	58.1
71.05006	2.2
77.03941	1.5
79.05497	100.0
81.07063	22.1
82.02956	1.4
83.04995	1.2
88.07631	4.9
91.05484	42.5
93.07057	10.5
94.06560	1.2
95.04971	12.9
95.08583	0.9
96.04477	1.0
97.06548	2.2
98.06066	1.4
105.06318	1.5
105.07037	47.5
107.04952	7.8
107.08599	60.5
109.06548	4.0
113.06033	1.0
117.07036	1.4
119.04979	1.1
119.06084	1.2
119.08606	14.6
120.05785	1.1
121.06496	1.4
129.07021	4.8
130.07800	0.9
130.08659	5.2
130.09529	1.0
131.08563	5.9
133.06500	2.8
133.10138	10.8
137.08347	9.4
140.34402	0.9
142.07806	2.8
145.10135	2.9
147.08051	4.9
147.11696	60.5
149.13324	1.5
155.09439	7.9
157.10149	3.4
163.91057	1.0
175.11246	9.8
176.14337	0.9
192.13918	2.3
197.10506	6.3
204.13847	2.3
244.16962	15.9
254.46190	0.9
262.18036	19.1
266.36041	0.9
280.19058	2.0
304.19086	78.8
322.19952	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1441
Annotation	Murrayamine K
Peak:m/z	Relative Intensity
58.06579	0.7
59.04982	0.8
67.05471	0.4
67.61216	0.3
79.05453	1.2
79.05939	0.4
81.06985	0.4
85.51048	0.4
91.79138	0.4
92.71894	0.4
95.08585	0.4
105.06992	0.6
107.08559	1.1
115.49503	0.4
134.06058	0.5
194.09511	0.4
206.09622	1.4
218.09608	1.0
219.10341	0.6
222.09125	1.3
234.09094	1.8
235.09959	0.9
236.08357	0.7
236.10724	11.8
247.07632	0.4
247.09908	2.0
248.10747	4.6
248.20140	0.7
249.11507	45.4
250.08638	8.2
251.09346	0.8
264.10196	14.9
265.10999	22.2
279.12552	4.8
280.13339	100.0
281.13702	0.9
291.12534	0.8
322.14404	52.6
323.14917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95854	1.6
55.01865	6.3
55.05498	7.0
56.82973	2.0
57.03429	5.0
62.55216	1.5
67.05508	3.7
68.64719	1.8
69.03424	6.7
69.07072	4.4
70.06581	3.9
71.52577	2.0
79.05500	17.3
81.07054	24.5
83.04962	3.4
85.02895	5.1
86.09697	2.1
91.05480	8.3
93.07075	8.2
95.01340	10.1
95.04972	5.0
95.08593	3.4
97.02911	2.1
97.06528	17.0
105.07026	6.6
107.04951	5.9
107.08599	3.3
109.06516	11.2
111.04419	3.6
113.02401	3.0
117.07020	2.8
119.04939	5.0
119.08570	8.3
121.02856	1.7
121.06513	6.2
123.04410	3.8
123.08041	2.1
125.05997	4.0
129.06960	2.7
130.08653	5.6
131.08548	3.4
135.04436	1.7
135.08020	3.4
137.05975	6.6
139.03886	8.2
141.01839	1.9
141.05434	3.2
145.06496	2.9
147.08051	7.9
149.05957	4.4
151.07625	2.6
159.79604	1.7
159.84943	1.9
163.07494	8.2
165.09087	16.8
167.07074	4.3
175.07524	4.1
177.05446	5.0
181.04962	1.9
181.08623	5.2
183.10205	4.8
191.07007	3.8
193.08614	19.4
197.04491	8.3
201.05573	2.1
204.49344	1.9
209.08087	12.0
211.09683	17.6
225.07666	3.7
227.09146	5.5
237.07635	8.1
255.08662	100.0
273.09686	25.6
290.12390	4.1
322.07928	6.2
322.11499	3.1
322.14960	5.8
322.20862	2.1
323.09125	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	322.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
53.40627	1.1
55.01865	4.3
55.05510	4.6
57.03440	7.4
64.48607	1.0
67.05502	6.3
69.03433	6.3
69.07063	5.1
69.18204	9.5
70.06615	1.1
70.62598	1.3
74.94265	1.1
78.37526	1.1
79.05501	23.7
81.03439	2.7
81.07063	36.1
83.04975	2.9
85.02908	5.8
86.09686	2.4
91.05485	9.3
93.07044	9.0
95.01345	12.4
95.04977	6.1
95.08624	2.0
97.02905	2.1
97.06538	17.7
99.04489	1.3
99.08053	1.6
103.05495	1.7
105.07021	3.5
107.04980	5.7
107.08602	3.5
108.16232	1.1
109.06524	23.8
109.10204	1.6
111.00854	1.1
111.04429	2.3
111.08086	2.6
113.02407	2.8
117.07030	3.4
119.04948	4.0
119.08606	9.0
121.06521	3.6
123.08047	2.8
125.05992	3.7
129.07045	1.6
130.08632	1.4
131.08575	4.4
132.91643	1.0
133.06508	2.5
135.08066	6.1
137.05998	6.6
139.03929	8.2
139.07541	2.9
141.01846	3.7
141.05443	1.9
145.06506	1.3
146.78389	1.4
147.08037	10.1
149.06010	1.6
151.07565	3.1
155.07047	5.3
161.06010	2.2
163.03889	1.1
163.07565	9.2
165.09108	19.2
167.07077	3.3
173.04626	1.6
173.06056	3.0
175.07578	3.9
177.05553	1.2
180.56616	1.2
181.04935	1.6
181.08638	8.5
183.10182	5.1
189.05545	1.4
190.04349	1.1
191.07085	3.2
193.08627	24.6
197.04448	6.8
199.09679	12.0
201.03964	2.3
209.08121	8.8
211.09644	16.1
225.07619	2.0
227.09195	9.1
237.07571	7.7
241.10704	1.6
255.08669	100.0
257.51080	1.2
269.10178	2.8
273.09750	6.5
287.11279	1.4
322.11377	1.2
323.09351	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	321.2425
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
52.70154	2.8
55.05513	5.2
57.07073	7.7
59.05008	3.8
62.58345	2.6
64.73467	2.3
67.05512	41.2
67.20403	2.3
69.07079	31.6
69.20953	2.4
71.05022	3.4
71.52919	3.9
76.30135	2.4
79.05488	10.4
81.03433	3.5
81.07065	60.1
83.08641	4.5
84.89143	2.7
91.05507	18.2
93.06563	3.5
93.07059	37.6
95.04980	15.8
95.08596	19.1
97.06524	6.6
102.19321	2.6
105.07048	22.9
107.08607	100.0
109.06530	10.0
109.10171	42.6
110.38829	2.7
111.08086	4.2
111.11716	3.5
123.08051	5.9
123.11745	17.8
125.13301	4.0
133.10138	21.8
135.11682	14.2
151.11200	95.1
153.12761	40.6
171.13814	13.2
173.53755	2.6
251.91702	3.2
268.42825	3.0
321.24283	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	321.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
67.05505	16.3
69.07072	6.3
70.97529	6.8
76.97501	3.3
79.05072	4.8
79.05504	66.1
81.03395	3.2
81.07074	22.6
84.08149	13.2
85.06546	9.6
91.05494	39.5
93.07058	13.6
95.04963	7.7
98.06034	7.4
102.09200	17.6
105.07037	36.7
107.04951	5.1
107.08598	58.1
111.91178	2.8
119.08595	16.4
127.64215	3.4
129.07045	4.6
131.08592	14.0
133.10146	25.0
135.42157	3.7
147.08029	4.7
147.11700	56.4
149.13391	3.1
175.11234	13.6
192.13869	5.0
195.50209	3.3
204.13777	7.3
239.07120	4.8
266.07224	3.6
267.06473	7.6
276.19617	100.0
278.07553	5.3
289.08600	7.1
290.09241	3.1
321.11279	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	321.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.8
57.07082	5.1
67.05507	11.1
67.51321	3.4
69.68218	3.7
69.99709	14.9
79.05499	100.0
81.07050	26.1
84.08146	13.4
85.06546	11.7
91.05495	23.3
93.07061	24.1
95.04961	9.4
95.08601	6.9
97.06542	4.1
98.06065	3.6
102.09188	14.9
105.07059	28.3
107.04952	6.7
107.08611	96.7
109.06539	3.9
109.10145	4.0
119.08608	13.0
123.11777	3.7
128.07172	4.1
131.08600	13.9
133.06505	5.8
133.10161	25.0
145.10150	3.9
147.08037	4.2
147.11713	35.0
149.13321	4.0
157.10083	3.6
159.11790	4.3
173.43214	3.8
175.11182	26.6
182.05638	3.1
189.25684	3.6
204.13782	4.7
231.08080	4.2
236.10690	4.4
248.23935	3.7
249.11594	19.6
250.08731	4.4
264.10196	7.7
265.11038	13.8
276.19598	91.6
280.13315	58.2
321.11108	11.8
321.24399	8.6
322.14478	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	321.2065
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
52.83023	1.1
53.03967	1.3
53.39333	1.1
54.20699	1.2
55.01871	1.9
55.05508	3.0
57.07082	2.7
58.06586	1.2
59.04998	2.1
65.03934	1.2
67.05515	8.1
67.05820	1.6
69.03416	2.3
69.07070	3.8
71.05006	1.3
71.52943	1.3
79.05498	6.1
81.03430	2.2
81.07069	11.8
83.04982	4.6
83.08643	2.9
85.06539	2.6
91.05479	7.5
93.07061	8.5
93.88937	1.2
95.05001	6.1
95.08621	18.2
97.06562	7.5
105.07057	12.9
107.08607	12.6
109.06507	6.4
109.10181	6.9
111.04432	1.4
113.06010	1.3
115.05468	1.5
117.07002	3.6
119.08589	10.4
121.06499	4.6
121.10155	6.8
123.08081	38.7
123.11716	2.8
129.07045	2.9
130.07806	2.0
131.08572	7.4
133.06491	4.4
133.10150	6.9
135.08081	5.2
135.11687	2.5
137.05971	2.3
137.09567	1.5
141.09099	4.2
143.08569	3.1
145.06474	1.4
145.10124	10.7
147.08046	4.0
147.11710	3.9
149.09634	5.7
151.07564	100.0
155.10658	1.5
156.09357	2.2
157.06424	1.4
157.10144	5.2
159.08055	2.7
159.11694	3.1
161.09639	4.3
161.13257	1.4
163.11186	1.9
165.09128	2.7
171.08055	1.3
171.11725	5.5
173.09659	3.0
173.13277	4.3
174.10469	3.4
175.11232	7.0
179.07137	1.6
179.10699	2.1
183.11678	2.0
185.09793	1.4
187.11136	1.3
189.09207	1.5
189.12753	22.0
191.14314	2.4
192.11456	2.9
192.19881	1.2
193.12108	1.5
197.11752	3.2
197.13448	2.1
201.12794	2.6
203.14297	2.2
207.13824	62.7
211.14819	2.0
213.16356	1.9
217.15891	1.4
221.11548	1.3
225.90553	1.1
229.15979	1.5
233.15340	4.1
239.07567	1.1
243.17612	1.2
247.13376	3.7
261.09064	2.1
262.09750	1.3
263.07028	2.0
267.17551	1.3
275.07071	1.5
278.09448	1.3
285.18561	4.3
289.08585	1.7
303.19635	7.4
321.07611	3.6
321.11240	10.3
321.20642	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01876	2.3
55.05522	0.3
57.03436	0.5
61.02922	0.8
65.03960	2.8
67.05514	1.0
68.99789	1.1
69.03439	3.6
69.07080	0.5
69.57660	1.0
69.58091	1.1
70.06606	2.6
71.01362	0.7
71.05003	0.5
79.05502	0.4
81.03437	2.4
81.07077	0.6
84.08157	0.7
85.02918	3.4
86.09719	1.2
87.00381	0.3
87.00842	2.1
88.04004	0.7
91.05495	100.0
92.05836	0.5
92.48921	0.3
93.07078	0.9
94.06583	0.4
95.05002	0.5
95.08654	0.7
97.02916	0.5
99.04482	0.5
103.05463	0.8
105.07029	1.8
107.08605	0.4
109.02908	1.8
109.10210	0.4
115.05460	1.4
117.07039	9.4
118.06559	0.4
119.04983	1.3
119.08641	0.9
121.10215	0.5
122.06040	3.5
122.94809	0.3
123.04480	0.3
127.03927	1.5
128.06232	3.1
129.01826	0.7
129.07016	6.0
129.07925	0.5
130.06567	1.2
131.04956	0.8
131.07132	0.3
131.08617	0.8
132.08109	0.5
133.06531	1.2
135.04427	0.4
136.07599	4.6
141.07024	1.1
143.08597	2.9
144.95834	0.5
145.02815	0.5
145.06502	5.4
146.06038	0.9
147.03294	0.4
147.04442	2.8
147.08035	1.7
150.05505	1.7
153.07019	2.3
155.04964	3.0
155.06071	0.6
157.06587	0.4
159.08064	0.6
159.09274	0.7
165.05492	0.4
168.06570	0.7
169.06563	1.1
171.02798	0.3
171.08075	3.1
173.04541	0.5
173.05984	4.5
174.96959	0.3
175.07613	1.0
177.05505	0.6
181.06487	3.6
182.08177	0.3
187.07625	0.6
188.07137	0.7
189.04036	0.8
189.09219	0.7
199.07568	6.3
207.00851	0.3
215.11671	0.3
217.08617	3.8
223.30443	0.3
235.09721	0.5
275.10336	0.8
279.47177	0.3
285.08548	0.4
303.23242	0.6
321.10629	0.6
321.15024	0.3
321.18835	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04525	0.6
67.05528	0.5
69.07071	0.4
69.97876	1.3
72.04523	0.4
72.66010	0.3
76.81388	0.3
77.03936	0.5
79.05502	0.4
81.07053	0.3
86.09711	100.0
91.05450	0.4
93.07049	1.4
95.08572	0.5
103.05470	4.5
107.04958	1.3
120.08114	97.1
121.08462	0.7
128.10725	50.4
131.04919	2.3
133.10214	0.4
149.05986	2.1
156.10217	15.8
166.08653	63.4
167.08995	0.7
321.07898	0.5
321.11392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85152	0.7
56.96297	1.3
56.96568	17.7
57.80207	0.7
59.80816	0.7
64.85979	0.7
69.03439	1.1
70.06590	1.8
70.62962	1.5
71.95217	0.8
80.55135	0.6
84.04491	1.1
84.96046	9.8
85.02901	1.8
86.09715	1.0
97.02884	0.9
97.96817	1.6
98.97591	100.0
102.97015	0.8
110.97578	26.8
112.99138	3.9
114.05544	2.1
115.36363	0.8
116.98637	22.2
119.47462	0.7
121.06481	0.9
124.99126	3.8
126.52352	0.8
128.98610	17.2
131.00168	2.5
134.99649	3.3
140.98625	7.8
141.05437	0.8
143.00172	10.3
144.98105	4.4
146.99670	4.7
147.04440	1.4
152.98602	14.5
155.00208	1.7
157.98819	1.1
158.98477	1.3
158.99689	15.8
159.03339	1.1
161.01236	5.3
162.99127	1.6
163.03873	0.9
170.99664	9.8
173.01222	1.8
177.00732	8.5
179.02251	0.9
186.07651	3.9
189.00722	3.3
201.00708	5.5
201.04329	1.5
202.65633	0.8
207.01944	1.1
219.01776	30.7
234.99074	1.0
237.02832	27.7
261.06424	12.4
267.56885	0.7
279.07541	81.9
297.08591	9.8
302.09009	2.0
303.10217	1.1
321.08594	76.9
322.08975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0949
Annotation	(-)-Dihydroflustramine C
Peak:m/z	Relative Intensity
56.30215	2.8
56.96564	9.9
63.55790	3.6
69.94981	12.4
70.06590	5.1
75.56023	2.9
84.08159	35.4
85.02898	4.5
85.08485	5.6
93.62077	3.2
98.97605	25.5
101.00877	36.2
106.74184	3.0
107.60668	3.3
110.97584	6.9
111.05611	6.9
113.00903	8.1
115.02458	10.1
116.07121	5.0
116.98644	5.0
119.01949	35.2
123.05576	7.3
124.99152	3.5
128.98653	6.0
130.08655	28.8
131.01933	13.6
131.08974	6.5
133.03490	19.4
141.06618	14.8
143.01913	6.5
145.03535	4.0
157.03406	3.9
158.99756	8.0
159.07672	11.5
161.01239	3.5
161.02968	12.2
168.99802	11.0
171.01378	4.1
173.02985	9.2
174.55153	4.1
185.03062	3.5
186.04416	4.8
187.00909	20.3
189.02440	12.5
191.04111	5.5
195.17897	3.2
196.99298	6.1
201.00711	8.4
201.02419	6.1
205.01930	5.1
215.00426	21.8
219.01752	8.4
219.03714	7.4
228.05452	6.4
229.01971	19.4
231.03560	5.1
233.05077	16.1
237.02942	4.7
246.06604	4.2
247.03008	34.9
288.07880	3.9
289.04120	10.0
301.10730	14.2
321.09543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90653	1.0
57.95119	1.0
60.58830	1.2
71.12442	2.0
80.17085	1.2
84.78687	1.0
85.02905	1.4
85.22884	1.1
94.93006	2.1
95.06100	2.3
101.00920	5.6
111.05573	6.0
112.89614	100.0
114.89347	54.0
116.89107	4.5
119.01929	7.3
123.05524	3.4
127.02393	1.3
130.77586	1.3
141.06580	9.6
143.01906	4.5
145.03459	5.4
149.46779	1.1
159.07683	7.7
161.02986	8.7
171.01442	2.4
173.02846	2.1
173.04190	1.9
173.60190	1.2
174.89641	2.9
188.82516	1.6
188.91266	2.0
189.02499	8.7
197.87988	1.4
201.02457	5.0
215.05196	2.1
219.03488	2.4
222.98813	5.1
233.05040	5.3
244.96341	1.5
245.95462	2.6
247.91267	24.9
256.97546	2.9
261.04541	4.8
272.13788	1.1
279.05740	1.4
303.06552	1.7
307.57632	1.2
320.86768	2.3
320.94739	2.2
321.06302	2.8
321.13135	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	321.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	19.2
69.03896	1.7
70.06602	4.9
71.50907	2.1
71.51276	2.3
73.01413	3.5
82.99836	9.1
84.08144	5.7
84.96046	5.3
85.02902	3.6
86.09751	2.7
91.02458	2.9
97.01405	4.4
98.97597	39.7
101.00893	66.2
103.02455	2.2
110.07166	2.8
110.10451	2.1
110.97600	9.6
112.99212	2.4
113.00891	18.2
115.02448	18.2
116.98627	7.9
117.04012	3.6
119.01936	78.7
124.99139	4.3
125.00906	1.8
126.96946	3.3
126.98837	2.3
127.02404	3.3
128.98598	4.3
129.03998	4.3
130.93323	2.4
131.01936	27.9
133.03479	31.7
137.02950	7.1
140.98640	9.3
143.00204	5.7
143.01913	17.9
144.99828	4.5
145.03487	6.9
147.01306	2.5
147.05043	5.4
149.02974	3.7
151.04546	4.0
152.98592	2.0
155.01926	4.4
156.99780	1.9
157.03481	3.5
158.99687	15.1
159.01405	2.6
159.03281	3.0
159.05029	2.4
161.02946	17.1
163.03915	4.9
168.99823	25.2
170.99849	4.3
171.01395	11.9
171.05067	3.4
173.02972	21.9
175.04552	5.1
177.00720	8.2
177.02295	3.3
183.01396	3.8
187.00914	44.8
189.00876	4.0
189.02415	18.0
191.02405	2.7
191.04031	17.9
192.45430	2.3
196.99347	16.6
199.00961	2.8
201.00726	10.1
201.02469	8.6
203.03979	3.4
205.01945	8.3
214.95732	2.1
215.00397	55.0
219.01794	14.6
219.03607	9.0
221.05074	5.1
224.48250	2.1
229.01956	38.1
231.01619	3.8
231.03621	5.0
233.01544	3.8
233.05093	32.4
237.02821	8.0
247.03029	100.0
249.04816	3.7
261.02805	5.6
261.08386	5.2
265.04001	10.2
278.96979	3.7
279.05829	3.8
279.09244	8.6
289.04041	22.2
307.05139	2.4
321.06650	23.5
321.09888	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	320.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.7
55.01873	4.7
55.05518	100.0
56.05037	44.6
58.06641	4.8
67.05512	39.2
68.05031	5.6
69.03451	4.6
69.07080	26.5
69.25471	6.8
69.25874	29.5
70.02948	4.9
70.06591	7.4
78.87218	4.6
79.05492	34.8
80.05013	8.5
81.07046	27.4
82.06594	18.1
83.04990	13.0
83.08627	39.9
84.04512	16.9
90.41125	3.9
91.05495	29.0
93.07051	46.0
94.06578	16.8
95.05000	6.6
95.08626	17.7
96.04505	8.2
96.08169	5.6
98.21524	9.7
105.07051	22.9
106.06564	7.5
107.07383	5.4
107.08586	15.9
108.08131	9.9
109.10146	20.5
110.06052	17.9
120.08130	5.2
121.10150	9.4
122.09692	19.2
123.08077	9.6
123.11744	4.5
124.07549	5.1
133.09016	4.0
133.10161	15.6
138.12813	8.4
139.11137	4.6
142.90443	4.0
149.09798	5.6
150.12802	38.8
153.22607	3.7
166.12314	6.5
183.21056	4.0
260.16629	5.8
320.18631	7.7
320.25998	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	21.7
55.05502	49.4
55.93701	11.6
56.05039	20.2
58.06607	18.6
58.76669	11.3
59.27754	12.0
67.05514	74.3
68.05021	37.9
69.07072	26.5
70.06599	19.1
71.53153	12.4
72.04503	19.3
79.05511	68.7
80.05026	14.1
81.07075	28.9
82.06576	39.6
83.08605	19.6
84.04514	28.3
91.05486	100.0
93.07050	90.6
94.06554	36.8
95.08627	78.3
96.04454	15.5
98.06081	22.8
104.66996	11.7
105.07025	45.2
106.06537	15.0
107.07341	30.8
107.08595	45.4
108.08129	17.9
109.10184	19.4
110.06079	15.2
121.10142	20.0
122.09705	80.4
131.08615	16.5
148.11224	19.6
150.12781	28.4
153.49878	13.3
166.12267	13.7
169.11401	12.7
198.06207	11.9
260.16266	16.4
274.24686	15.3
297.84030	12.4
320.18359	26.5
320.25922	48.2
333.33017	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	320.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.05507	2.6
61.28047	0.8
65.03971	0.9
67.05511	4.6
68.02650	18.0
68.05014	1.6
69.03432	2.5
69.05802	2.6
69.07039	1.6
70.57738	1.8
70.58080	1.0
71.07375	1.6
72.08154	9.1
79.05499	37.6
81.03386	1.3
81.07066	7.2
84.04499	1.4
88.20565	0.8
90.09205	7.5
91.05483	16.0
93.07042	4.2
95.04988	3.9
97.05280	11.9
97.06484	0.8
105.07044	15.4
107.04948	2.4
107.08599	22.1
119.08570	5.6
124.07585	1.5
128.10735	2.6
129.07004	2.0
131.08578	3.7
133.06538	1.8
133.10135	6.0
135.59206	0.8
139.09929	96.4
140.10661	1.5
142.07771	1.0
146.11734	1.0
147.08044	1.3
147.11702	15.3
157.10114	1.0
157.94756	0.8
165.11548	1.1
166.12262	1.2
173.21843	0.8
175.11220	4.0
190.01128	0.9
204.13889	1.9
216.80940	0.9
246.18550	100.0
260.20157	2.8
264.19620	20.7
320.22183	2.9
324.73563	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2271
Annotation	(+)-Phomactin G
Peak:m/z	Relative Intensity
55.05512	1.2
57.07076	2.8
59.04996	0.4
61.45396	0.6
67.05513	3.1
69.03407	1.0
69.06729	0.6
69.07071	6.2
70.26081	0.4
70.26427	1.8
73.27457	0.4
79.05492	1.8
81.06590	0.9
81.07066	18.5
83.05000	0.7
83.08614	0.8
89.06026	1.6
91.05492	1.9
93.07064	2.9
93.07550	0.5
95.04974	2.0
95.08622	4.3
97.06520	0.9
99.00828	0.7
105.07021	1.0
107.04301	0.4
107.04919	2.0
107.08610	2.1
109.06548	1.3
109.10152	1.5
111.04468	1.0
113.02453	0.9
119.04916	0.5
119.08607	0.9
121.06546	0.5
121.10163	2.1
123.08076	4.9
125.02368	0.7
125.06000	0.5
131.08595	1.8
135.04414	0.8
135.11697	1.0
137.13292	1.3
139.03935	3.6
141.09102	2.5
149.09648	1.0
151.09656	0.7
153.05489	0.8
159.07993	0.6
167.10651	0.7
177.09140	0.4
178.19691	0.4
179.14311	0.5
183.10188	3.9
193.86862	0.4
195.10187	73.2
196.10493	0.7
199.03563	0.4
207.13847	0.4
209.11763	9.0
221.11757	1.3
223.13353	1.2
234.83620	0.4
235.13326	1.5
237.14938	2.2
251.16563	1.2
263.16385	2.3
295.08594	0.4
301.25262	1.7
319.22699	100.0
320.22968	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97167	1.8
53.03937	3.2
55.05503	3.0
55.29094	2.0
57.07059	2.5
58.65690	1.9
60.89597	1.6
67.05511	14.4
68.02646	5.9
69.03423	2.6
69.07065	7.9
70.06587	1.9
71.52718	2.6
72.08150	7.5
72.31017	1.8
79.05499	66.5
81.03401	2.2
81.07067	24.7
86.09702	14.5
91.05492	40.5
93.07068	14.7
95.04985	12.9
95.08575	3.1
97.05260	7.4
97.06528	2.2
105.04534	2.0
105.06402	3.3
105.07045	41.5
107.04956	7.6
107.08605	45.7
107.97101	1.8
107.98589	1.8
109.02882	1.7
109.06512	3.6
112.07616	3.2
119.08577	17.4
120.67824	1.9
121.06552	2.7
129.06993	2.8
131.08545	10.6
133.06511	3.2
133.10118	9.9
135.04410	1.9
139.09941	2.2
145.10133	4.5
147.08047	5.0
147.11705	52.8
149.13248	2.6
153.11487	18.0
157.10121	4.9
159.11699	3.3
162.56664	1.8
175.11198	17.7
179.34503	1.8
192.48711	1.7
200.39894	2.1
201.52148	1.9
204.13803	8.2
214.59128	2.3
246.18478	2.5
260.20117	100.0
320.10547	3.7
320.26004	2.7
320.30240	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	319.227
Annotation	(+)-Phomactin G
Peak:m/z	Relative Intensity
53.54050	0.4
55.01865	0.5
55.05518	0.8
57.07071	1.6
58.49512	0.4
59.88685	0.4
60.95045	0.4
67.05494	1.2
69.07071	2.9
69.25149	0.4
71.02314	0.4
71.02644	1.1
71.08636	0.8
79.05485	0.7
81.07067	3.3
83.01350	2.1
83.04965	0.9
89.06022	0.9
93.07014	1.2
94.66063	0.4
95.01354	0.5
95.08629	3.2
105.07039	0.6
107.08603	1.5
109.10159	1.8
111.04446	2.2
113.02364	1.9
121.06539	0.8
121.10149	1.0
123.08090	2.8
125.05988	0.5
125.09634	0.5
131.08525	0.9
133.10098	0.4
133.38277	0.4
137.13261	0.9
139.03912	16.5
141.09113	3.0
147.91127	0.4
149.09630	6.2
149.13362	0.4
151.09552	0.5
153.05464	2.9
167.07028	0.6
167.10699	0.4
177.09077	0.7
179.14359	0.6
183.10178	5.3
195.10184	74.4
196.10506	0.6
207.10106	0.7
209.11774	5.7
221.11731	0.9
223.13252	0.9
237.14873	1.7
251.16331	0.5
263.16461	3.1
277.17755	0.7
319.22696	100.0
320.22995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.227
Annotation	(+)-Phomactin G
Peak:m/z	Relative Intensity
51.01489	0.6
53.03945	0.9
55.01864	1.0
55.05515	4.5
57.07088	3.5
64.94267	0.7
65.03944	0.7
67.05512	8.6
69.03402	0.9
69.07076	11.0
69.78714	1.4
69.79130	2.4
71.08620	2.5
79.05492	6.1
81.03410	2.2
81.07062	31.9
83.04995	1.5
83.08627	1.9
84.32524	0.6
84.85647	0.6
84.97723	0.7
89.06046	3.8
91.05502	3.7
93.07050	9.4
95.04961	2.0
95.08614	27.1
97.06503	0.8
98.20819	0.9
101.96917	0.6
105.07052	4.6
107.04971	1.4
107.08604	9.3
109.02893	4.5
109.06500	1.9
109.10155	7.2
109.92059	0.7
111.08067	0.8
119.08593	4.2
121.02870	1.2
121.06512	2.0
121.10125	4.4
123.04445	3.9
123.08073	4.7
123.11732	1.4
125.05979	1.3
125.09642	0.9
127.03929	1.6
131.08582	5.6
133.06497	0.9
133.08629	0.7
133.10126	1.9
135.04462	1.1
135.08058	3.2
135.11729	3.4
137.06026	1.2
137.13266	32.0
139.03935	0.9
139.07529	0.9
142.43135	0.6
143.08546	1.5
145.10146	2.0
147.08046	1.1
147.11717	1.4
149.05992	1.2
149.09642	4.8
149.13293	2.8
151.09686	1.7
151.11180	1.0
157.10149	1.4
159.08025	1.3
159.11681	3.0
161.13306	1.6
163.11229	1.2
163.14870	0.8
165.09138	1.3
167.07033	1.0
173.13332	3.2
177.09102	6.2
177.12753	1.7
179.14352	1.6
181.08589	1.0
183.10135	1.3
185.13248	0.8
187.11211	1.1
187.14914	0.8
189.12698	0.9
191.10710	1.1
191.14244	0.9
195.10196	7.7
199.14819	1.1
205.12210	3.9
207.13812	1.0
215.14362	0.7
217.12204	1.0
217.15988	0.8
219.13991	0.7
223.13292	7.0
231.13721	0.7
233.15323	2.1
245.15414	2.0
255.21074	2.1
257.22702	0.8
273.22095	1.2
283.20633	2.4
301.21594	7.0
319.22696	100.0
320.22916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2271
Annotation	(+)-Phomactin G
Peak:m/z	Relative Intensity
51.63826	0.5
53.03955	1.1
55.01872	0.8
55.05518	3.3
57.07067	2.5
65.03937	0.7
67.05517	9.7
69.03421	1.7
69.07074	13.1
71.04996	0.6
71.06596	0.7
71.06924	1.0
71.08629	1.0
79.05504	6.3
81.03430	2.0
81.07065	40.7
83.04978	1.4
83.08608	1.4
85.10210	0.7
89.05997	0.9
91.05477	3.7
93.07054	8.4
95.04966	2.3
95.08617	27.8
97.10183	0.7
105.07043	5.4
106.07816	0.8
107.04967	2.1
107.08604	9.5
107.34161	0.5
109.02885	4.6
109.06532	2.1
109.10174	6.6
113.02335	0.8
117.07019	0.8
119.08585	4.4
121.02871	1.2
121.06527	3.7
121.10144	6.3
123.04445	4.2
123.08080	6.0
123.11727	2.1
125.02339	0.7
125.05943	0.7
125.09628	0.6
125.68269	0.6
127.03923	1.7
129.07011	0.6
131.08586	5.2
133.06512	1.1
133.10118	2.5
135.04439	1.0
135.08063	3.3
135.11697	2.6
137.05997	1.0
137.13272	34.7
139.03940	1.3
139.07533	0.7
141.05586	0.6
143.08531	1.0
145.10127	1.8
147.08057	1.1
147.11667	0.8
149.05975	1.7
149.09619	5.1
149.13271	2.7
151.11145	0.8
153.05449	1.3
157.10133	1.4
159.08057	1.6
159.11691	4.0
161.09569	0.9
161.13277	1.9
163.07668	0.5
163.11163	1.2
165.09109	2.0
167.07014	0.7
171.11653	1.1
173.13289	2.2
175.11275	0.7
175.14854	1.2
177.09116	5.6
177.12749	2.9
179.14288	1.1
181.08665	0.6
183.10170	1.2
185.13312	1.3
185.97823	0.5
191.10677	1.4
193.12105	0.6
195.06586	1.0
195.10173	9.4
199.11226	0.8
201.12885	0.6
201.16411	0.6
205.12270	4.3
207.13910	1.0
209.11748	1.2
213.16261	0.7
217.12460	1.1
217.15877	0.6
218.93671	0.6
219.13834	0.9
223.13301	8.3
227.14369	0.9
231.13849	0.8
233.15399	2.4
245.15463	1.1
255.21091	1.8
259.16733	0.7
263.16681	0.6
273.22211	1.4
283.20602	1.9
299.04379	0.6
301.21652	9.7
319.22693	100.0
319.30447	2.4
320.22897	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1906
Annotation	1-Dehydro-[8]-gingerdione
Peak:m/z	Relative Intensity
53.03948	0.4
55.01877	0.8
57.07078	0.5
67.01865	0.5
67.05500	0.3
68.99792	1.7
69.03428	1.0
69.07084	1.6
69.07398	0.3
70.57561	0.7
70.89239	0.2
71.08634	0.3
79.01841	0.3
79.05506	1.1
81.07055	1.5
83.01350	1.0
83.04984	0.2
85.02914	1.1
89.06038	0.5
91.05499	1.1
93.07049	0.5
95.04982	0.6
95.08624	0.4
97.02928	0.4
97.06525	0.4
103.05490	0.6
107.04968	0.7
109.06531	4.2
111.04464	0.9
121.02904	0.2
121.06549	1.0
123.04482	0.3
125.06003	0.7
135.04433	0.6
137.05991	6.1
149.06003	1.2
153.05473	6.5
163.03899	0.4
165.05484	2.0
167.07069	1.0
177.05473	3.7
179.03374	0.2
195.06546	100.0
196.06882	0.5
209.08101	0.3
216.75000	0.2
319.09622	0.3
319.19080	2.1
320.65570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.05518	12.6
57.07074	2.8
59.05006	2.2
64.98943	1.4
67.05509	7.1
68.05851	1.4
69.07076	87.0
71.04998	12.5
71.52242	1.3
71.52701	1.5
73.06570	8.8
74.83858	1.3
79.05503	8.0
81.07068	19.8
81.92065	1.8
83.08654	1.7
85.06557	1.6
85.71998	1.4
91.05485	5.0
93.07056	8.2
95.04962	3.2
95.08616	4.2
97.06542	100.0
101.06042	8.1
105.07021	6.8
107.04284	2.3
107.04958	16.1
107.08607	19.4
109.02841	1.7
109.06526	6.1
109.10170	18.6
111.08085	2.1
115.45268	1.4
119.08595	1.7
121.10137	6.8
123.08053	2.7
123.11724	23.4
125.09652	1.8
131.08551	2.8
133.10147	12.2
134.06038	2.6
137.05975	3.7
146.06049	4.4
147.04480	2.1
151.11211	14.4
153.05476	7.7
169.12274	4.5
179.07051	1.7
186.09183	2.0
190.01353	1.4
193.33507	1.5
233.18985	1.8
247.14346	1.6
266.15430	2.8
291.13641	1.8
301.14365	1.8
319.09772	3.4
319.19528	3.2
319.30753	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	319.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
54.89885	0.3
55.01874	1.0
55.05269	0.4
55.05515	5.4
57.07069	0.8
58.84823	0.3
60.97614	0.4
65.03944	0.6
67.05509	7.0
69.03443	0.7
69.07072	49.2
71.04994	0.7
71.52463	0.3
71.52834	0.4
79.05498	5.4
79.90667	0.3
81.07068	5.9
83.04985	10.0
83.08627	2.0
85.06528	1.8
91.05487	5.2
93.07050	33.1
95.04980	1.2
95.08614	6.0
97.06538	20.9
97.10188	0.4
105.04515	0.5
105.07027	1.9
105.88534	0.3
107.04936	0.7
107.08602	35.7
109.06526	0.8
109.10162	22.7
111.08099	3.1
119.04967	0.9
119.06074	0.4
119.08604	0.8
121.10159	0.3
123.11731	0.5
125.09621	1.9
133.10078	0.3
135.11694	15.3
145.06540	0.4
153.12755	100.0
161.09633	2.2
171.08081	0.5
179.07068	0.7
185.09605	0.4
189.09073	0.6
203.08838	0.3
205.08551	0.3
218.07248	0.3
249.11433	0.4
259.16980	0.7
287.07227	0.3
289.08716	0.4
304.07452	0.3
319.06638	0.4
319.09766	1.9
319.19101	12.0
319.22546	1.1
319.30405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.4
56.05039	6.1
57.03427	0.7
57.05815	1.7
58.06583	1.3
60.05643	2.0
61.02910	0.8
67.05507	0.9
69.03441	3.9
69.04520	0.9
69.07046	1.2
70.06610	4.8
71.04998	0.8
71.51662	0.7
72.08176	1.8
73.56951	0.7
74.09741	0.8
79.05515	1.6
81.03398	1.9
81.07044	1.5
83.04985	6.7
83.06110	2.9
84.04530	0.7
84.08150	1.0
84.77207	0.6
85.02916	3.7
87.05588	1.4
90.45945	0.7
91.05519	1.2
93.07082	1.1
95.06100	2.9
97.02905	2.2
97.06521	1.2
105.03355	0.8
105.05838	0.9
106.06551	1.3
109.02914	1.2
110.07166	1.1
111.04444	2.3
111.05579	6.1
112.08738	1.7
113.07117	4.4
117.05741	0.8
118.06556	1.2
120.04488	2.9
121.02881	1.0
126.06673	3.9
127.07471	1.1
130.06573	1.1
132.04475	13.2
132.08083	1.5
134.06055	4.1
135.04468	1.4
136.07602	1.7
137.04761	1.0
139.03918	4.8
139.07567	1.1
139.11240	1.6
140.08171	2.5
146.05957	1.4
148.03992	2.1
150.05544	7.4
151.04074	0.8
151.06169	7.1
157.05023	0.9
157.08620	2.6
157.09769	1.1
157.12227	2.2
159.09166	0.9
163.03932	0.9
176.07085	1.8
177.05490	1.4
180.80588	0.9
180.82265	1.0
187.08723	4.7
188.07187	1.5
194.06932	0.8
202.09859	3.9
203.08185	3.7
205.05054	2.6
227.09332	1.3
229.05103	1.0
230.09279	3.0
231.07693	27.0
232.10849	1.7
233.09413	1.2
233.14020	7.2
234.12477	1.3
242.09314	2.1
243.06435	0.9
246.08763	1.3
249.13751	0.8
257.10455	4.6
259.11954	26.2
260.10330	2.0
271.06049	1.0
273.07639	1.0
277.12988	86.8
278.13315	1.1
283.06201	1.2
284.11472	7.7
301.07016	8.5
301.10245	1.0
302.12524	51.6
319.08084	4.3
319.15207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.2
55.01879	1.5
55.05509	2.2
57.03431	5.3
58.06579	1.5
59.21686	1.2
61.02928	2.0
64.61723	1.3
65.14909	1.1
67.05501	3.3
68.99776	3.4
69.03438	57.4
69.03818	2.7
69.07077	6.0
69.79958	1.2
70.06567	1.6
71.04997	10.1
71.08646	6.9
71.52744	2.3
73.02927	1.4
79.05516	1.4
81.03427	58.5
81.07052	4.2
83.01369	1.3
83.04977	3.2
85.02913	37.1
86.09739	1.9
87.00842	19.1
91.05480	2.9
93.07014	2.3
95.04989	1.6
95.08591	2.2
97.02921	9.3
97.10194	2.6
99.04465	18.8
105.01864	3.7
105.07065	2.0
107.04973	2.0
107.08598	1.8
107.97280	1.4
109.02895	42.6
109.10119	1.5
111.04449	2.5
119.08604	2.2
121.10135	2.8
121.14730	1.2
127.03933	100.0
136.07535	2.0
139.11208	2.3
145.04932	2.7
145.10147	1.8
147.04480	1.7
149.05952	2.7
151.03932	4.5
153.01797	1.5
153.05432	2.2
157.12378	1.7
177.05397	4.6
190.26233	1.2
213.03949	4.6
231.05086	9.4
259.06094	3.0
287.04553	1.7
301.11728	2.3
304.04865	9.3
319.07181	20.1
320.18283	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	319.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.3
55.01842	0.6
55.02081	0.3
55.05461	0.9
55.05708	0.3
57.03400	0.5
58.06546	0.6
67.05444	1.4
68.99685	0.3
69.03359	1.1
69.07040	0.7
70.06528	1.0
70.63702	0.3
71.04942	0.7
72.08083	1.1
75.87350	0.3
79.05461	0.8
81.03368	0.6
81.07057	1.6
83.04986	2.3
84.04440	1.0
84.08120	0.4
85.02908	1.6
85.06509	0.3
86.09643	0.5
91.05423	1.0
93.06975	1.3
95.08599	0.5
97.02863	0.6
97.06483	0.8
97.10168	0.4
99.04432	0.4
103.05417	0.4
105.06990	0.4
107.04926	0.5
107.08543	0.5
109.02850	0.7
111.04369	1.0
111.11642	0.4
115.05383	0.3
119.08498	0.3
121.06484	0.5
121.10072	0.9
127.03819	0.5
128.06189	0.4
129.07008	0.7
131.04831	0.6
131.08539	1.7
135.04343	0.6
137.05908	0.7
139.03903	2.1
139.11139	1.3
141.06927	0.7
144.05652	0.6
145.06418	1.2
146.06009	1.5
147.04398	0.4
148.07423	0.4
149.06000	1.8
149.09550	0.8
151.03929	2.6
151.05002	0.6
156.08035	0.7
157.04935	0.5
157.07559	0.6
157.12190	1.3
158.05965	1.1
159.06799	0.5
159.07994	1.7
160.06444	0.4
160.07588	5.3
160.13382	0.6
161.05945	0.8
163.03864	1.2
167.10612	0.4
169.06400	0.6
170.05971	0.6
171.06721	0.5
172.07591	2.6
174.09154	2.2
176.10660	0.4
177.05492	3.9
183.06767	0.7
184.07602	4.7
185.07117	3.7
185.08580	0.3
186.07829	0.3
186.09160	2.6
187.07506	4.1
188.07007	1.1
191.03427	0.4
194.22261	0.3
196.07561	1.0
198.09174	0.7
199.08696	1.3
200.07060	1.1
200.09422	2.7
201.10130	0.4
202.08641	5.0
208.07556	0.4
211.08675	1.0
212.07138	0.6
212.09431	2.7
213.10254	2.5
214.08566	1.7
214.10905	0.6
215.06996	6.8
217.04791	0.4
218.08125	0.4
223.08562	0.4
224.09448	0.9
225.10234	8.3
233.08080	0.3
235.06004	0.6
235.08530	0.4
240.08929	1.3
241.09846	2.2
243.11307	3.9
253.09631	2.2
259.06039	0.3
271.10776	100.0
272.11084	0.9
273.11661	0.4
283.10837	1.6
288.11011	0.7
289.11624	0.5
301.11844	42.2
301.22067	0.9
302.12286	0.6
319.04367	0.8
319.07504	0.4
319.12805	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17739	0.3
53.36479	0.4
69.03423	0.7
70.48225	0.6
70.48554	0.7
72.08137	0.6
79.05499	0.6
80.36291	0.4
81.03401	0.6
83.04951	0.7
84.04509	0.5
85.02924	0.7
93.07054	0.6
97.99147	0.4
109.02950	0.4
111.04389	0.5
125.55996	0.4
127.03934	0.5
129.07040	0.5
137.05980	1.0
137.82652	0.4
139.03894	1.3
146.06006	0.8
149.06032	0.4
151.03899	0.6
153.01831	0.7
157.07620	1.1
158.06029	1.3
159.06853	0.8
160.07564	4.8
160.13336	1.3
163.03900	1.2
170.06012	0.8
171.06729	0.5
172.07564	2.5
174.09175	1.8
177.05502	1.0
183.06822	1.1
184.07587	5.2
185.07117	4.4
185.08466	0.6
186.09213	2.2
188.07088	1.0
196.07640	0.5
198.09308	0.6
199.06284	0.4
199.08664	1.5
199.14290	0.5
200.07114	1.3
200.09410	2.4
202.08652	6.0
211.08699	1.2
212.09421	2.6
213.10226	4.0
214.08847	0.6
224.09479	0.9
225.10239	9.3
230.10468	0.6
236.71417	0.4
239.08170	0.4
240.09035	1.7
241.09816	1.9
243.11331	3.7
253.09741	1.8
271.10788	100.0
272.11139	1.0
273.07666	0.4
288.10861	0.5
301.11856	41.6
302.12387	0.6
310.69601	0.4
319.12839	5.4
319.16159	0.6
330.04721	0.4
342.12201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0967
Annotation	4:5
Peak:m/z	Relative Intensity
50.28341	0.2
60.04509	0.4
69.81666	0.3
78.19464	0.2
88.07619	0.8
89.03944	0.3
94.92554	0.3
98.21480	0.5
103.21248	0.2
115.72961	0.2
134.35884	0.3
135.04408	2.3
139.05661	0.3
147.04388	0.7
159.04439	0.4
165.06976	0.3
167.04936	0.4
177.07002	0.9
178.07884	0.3
179.08553	0.4
185.06067	0.4
189.06998	1.3
190.07770	3.1
191.08585	0.9
197.06004	1.3
202.05887	0.4
202.07762	8.1
203.08569	44.8
204.05832	0.3
204.09216	0.8
205.06493	1.6
205.10156	4.6
207.08028	0.4
213.06993	0.9
215.08575	4.0
217.06537	0.6
218.07294	3.1
219.08052	1.4
222.06778	1.3
223.07394	0.3
230.07246	0.6
231.08064	43.6
232.08690	1.0
233.06010	2.4
233.09599	5.2
234.06664	0.6
235.07553	8.3
242.07469	0.3
243.08040	1.9
245.06082	0.5
245.09448	0.3
246.06775	13.1
247.07504	1.6
248.08351	2.4
249.05496	0.4
249.09102	0.8
250.06285	0.4
258.06708	0.3
259.07556	9.1
259.10315	0.5
260.08331	1.3
261.09128	41.6
262.06311	0.7
262.09692	0.9
263.07086	2.8
263.10690	6.7
266.05707	1.6
270.27872	0.3
271.07611	1.2
272.08368	0.4
273.05606	0.6
273.09128	2.6
274.06259	10.5
275.06964	1.5
276.07880	1.0
278.05719	0.3
287.07010	0.4
288.07751	0.9
289.08603	50.1
290.02454	0.4
290.05783	7.8
290.09122	0.9
291.06522	5.9
291.10172	2.7
301.08551	0.5
303.06534	10.7
304.07309	9.1
317.08191	0.6
318.29980	0.9
319.09662	100.0
319.30383	0.8
320.10013	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.118
Annotation	Dechlorogriseofulvin
Peak:m/z	Relative Intensity
53.03960	0.4
55.01862	0.4
55.05507	0.6
65.03931	0.7
67.05510	1.2
68.99786	1.1
69.03436	44.7
70.82941	1.2
79.05492	1.9
80.02643	0.5
81.03394	0.4
81.07050	1.5
91.05476	1.1
93.03374	0.6
93.07066	0.9
94.04217	0.7
95.04959	2.0
95.08627	0.8
97.06529	0.9
99.04456	1.0
105.07048	0.8
107.04948	1.8
107.08603	0.5
109.06499	0.9
109.10211	0.5
111.04459	1.2
122.03677	2.6
123.04440	1.0
125.05997	1.4
135.04491	0.6
135.08038	2.1
137.05962	1.2
138.03128	3.1
139.07565	1.1
147.11699	0.5
149.02333	0.5
150.03127	2.1
151.03868	1.0
161.06013	0.7
163.03888	0.7
163.07571	4.3
165.05490	60.6
166.02644	4.1
181.04970	100.0
182.05379	0.5
184.03680	2.1
190.06213	4.0
191.07025	1.0
193.04784	0.5
215.06972	0.6
218.05759	0.7
219.06522	1.8
223.09642	4.7
231.10158	0.9
236.06789	4.2
243.06557	3.1
244.07240	1.1
245.08113	1.4
251.09172	38.1
259.09641	4.1
272.06787	1.0
277.10843	1.2
287.09161	5.6
301.14505	0.9
319.11789	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96580	6.6
71.51016	1.3
71.95265	2.8
82.95808	0.8
94.00475	0.8
98.97592	100.0
101.00894	1.3
102.96879	1.3
116.98634	43.7
119.01917	1.3
134.99678	11.6
161.02982	1.4
172.94383	1.1
177.01001	1.4
179.00699	1.5
201.00845	1.0
203.04054	1.4
205.02249	1.7
216.98784	1.8
219.01942	3.9
232.96501	2.6
234.99771	1.3
240.98688	4.1
254.93324	2.4
256.96500	1.7
257.96475	0.8
258.99783	74.6
259.99988	1.7
261.03116	1.3
263.02597	0.9
272.94366	2.1
274.97522	9.3
275.98047	1.5
276.97739	3.3
277.00836	64.9
277.94910	1.6
278.00912	2.1
282.01343	1.2
283.00040	2.7
292.98593	2.3
295.05545	1.3
295.95966	2.4
296.08783	1.0
298.97940	1.0
300.02393	2.4
300.97479	2.5
301.01181	2.4
316.98813	1.6
318.98328	2.6
319.06882	2.5
319.12439	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0792
Annotation	Flustramine C
Peak:m/z	Relative Intensity
51.37797	4.7
55.23375	5.0
56.96559	13.1
57.24815	3.8
69.03471	4.6
70.06593	17.2
70.45657	8.3
70.45985	6.1
70.89957	4.0
72.08148	8.7
72.20000	3.8
79.43119	4.2
83.01049	4.2
84.08152	45.2
84.96022	5.1
85.02929	5.0
89.46031	4.5
90.45054	3.6
98.20831	5.7
98.97573	8.2
101.00882	6.1
113.00880	4.3
118.79656	4.5
119.01861	5.2
130.08655	8.1
133.03506	5.9
186.04358	10.6
187.04608	6.2
198.06137	6.7
199.06274	20.4
204.05353	5.5
213.03386	4.7
217.07440	10.8
222.02028	6.0
228.05400	5.4
243.14059	4.3
247.06183	6.7
259.06564	10.8
261.84781	4.9
277.07910	4.9
283.09720	9.5
299.14584	6.4
301.10742	29.3
319.07858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3006
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
51.56380	0.4
55.05521	4.9
56.05041	6.1
57.03446	1.6
57.07079	3.0
58.06608	0.9
60.04533	100.0
61.12861	0.5
67.05520	3.8
69.07076	5.3
70.06600	5.0
70.57387	1.9
71.08658	1.9
72.04561	0.8
72.97114	0.4
74.06109	2.5
78.40261	0.4
79.05505	12.1
81.07070	4.9
82.06621	0.8
83.04987	1.0
83.08628	2.5
85.10191	0.8
85.99123	0.4
86.06091	0.9
88.07637	1.9
90.05551	0.8
91.05498	2.1
93.07064	2.7
95.04979	1.2
95.08620	4.4
96.08145	0.7
97.06559	1.0
97.10195	1.4
99.72301	0.5
102.09206	0.9
105.07064	1.9
107.08606	8.8
109.06605	0.7
109.10175	2.4
121.10157	1.0
123.11692	1.1
129.07086	0.6
131.08649	0.7
133.10176	1.2
135.11729	0.7
137.08362	1.4
147.11708	1.5
175.11275	1.0
178.05902	1.0
195.06567	1.5
196.06940	2.7
211.12088	0.8
211.84779	0.5
244.17084	1.4
252.26985	1.5
254.28503	1.5
256.26346	3.9
262.18115	0.7
264.26907	2.7
270.27911	3.8
282.27957	16.4
300.29016	21.8
318.06717	0.7
318.20648	5.8
318.30063	76.3
319.30536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
54.72253	0.9
55.05500	3.8
56.96551	2.1
57.07066	2.1
67.05508	11.8
68.05007	1.4
69.03418	1.9
69.07070	77.8
70.06590	14.9
71.08620	1.4
72.08141	0.8
79.05492	7.7
81.05798	2.0
81.07057	80.2
83.08593	1.4
86.06062	1.4
88.07589	1.1
89.37286	0.9
91.05470	3.8
93.07038	8.5
94.06551	1.5
95.07349	1.2
95.08607	27.7
98.20715	1.6
99.02628	0.8
100.07610	1.6
105.07026	10.9
107.08604	8.5
108.08132	1.1
109.09467	1.6
109.10157	19.1
111.11752	1.1
112.99124	1.2
114.05538	10.0
116.07090	35.5
118.06393	0.8
119.04918	4.2
119.08583	8.2
120.08107	4.5
121.10140	15.0
121.41358	0.8
122.09647	2.6
123.11714	4.6
128.07069	1.7
131.00142	1.8
133.10121	6.5
135.11694	2.8
136.11215	38.9
137.13304	1.8
137.49327	0.9
145.10139	1.7
147.04405	19.8
147.11690	17.9
148.11186	1.1
149.13246	5.3
161.13243	3.7
166.08641	26.4
167.03459	1.3
168.03676	1.9
168.10196	7.4
180.10231	1.1
181.10968	9.7
182.11778	29.6
194.11765	1.5
203.17960	11.6
205.19560	2.0
207.35973	0.9
215.10635	1.1
224.16548	2.1
318.06970	1.5
318.10364	1.9
318.24280	100.0
318.30222	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2428
Annotation	17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one
Peak:m/z	Relative Intensity
50.61057	0.3
55.05499	0.9
57.07073	2.5
64.57297	0.4
67.05509	3.9
68.05015	0.4
69.07069	37.1
69.72431	1.8
70.06589	8.2
71.08626	1.1
79.05497	3.7
81.05786	1.0
81.07056	34.2
82.07394	0.4
84.12299	0.4
84.35265	0.4
88.07627	4.4
90.60726	0.3
91.05473	1.1
93.07051	1.7
94.06583	0.8
95.07367	0.8
95.08609	10.7
98.06065	0.5
98.21555	0.4
102.09172	1.1
105.07017	1.1
106.08644	0.5
107.08619	0.8
108.08102	0.4
109.10140	1.8
114.05544	1.8
114.07251	0.4
114.09196	0.4
116.07094	1.5
119.04948	0.6
119.08543	0.8
120.08118	1.7
121.10122	1.1
122.09666	1.1
123.11683	0.6
128.07082	0.8
132.10187	2.7
133.10103	0.7
135.11752	0.4
136.11215	23.5
137.11967	0.4
137.13243	0.9
147.04390	2.3
147.11708	0.9
150.11220	2.8
166.08636	13.9
168.10162	3.0
179.88251	0.4
180.10187	0.8
181.10979	7.1
182.11778	24.2
194.11794	1.4
196.79733	0.4
203.17900	0.4
256.26318	4.6
274.27469	0.9
318.06235	0.9
318.24292	100.0
318.29907	23.2
319.24692	1.1
321.22266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04949	0.9
53.03939	2.9
55.01870	2.9
55.05520	14.5
57.03434	1.8
57.07061	2.3
58.06613	23.0
65.03940	1.5
67.05515	44.8
69.03435	3.7
69.06730	1.1
69.07079	15.5
70.06603	77.7
71.05008	5.3
71.51964	1.2
72.08150	2.9
79.05502	36.6
81.03442	4.5
81.07069	55.1
83.04998	6.5
83.08627	7.3
84.04514	0.9
84.08168	1.4
85.02886	1.0
85.06546	2.8
86.09718	2.0
88.07644	63.4
91.05492	14.4
93.07059	54.0
95.04977	7.5
95.08620	36.2
97.06545	4.3
97.10180	2.4
98.06071	1.3
99.04467	1.5
99.08055	1.0
101.90096	1.0
105.04520	0.9
105.07043	7.2
106.08684	33.9
107.04978	7.1
107.08611	38.9
109.06504	2.6
109.10172	28.3
111.04449	1.4
111.08108	4.5
113.09700	0.9
117.07053	7.6
119.08604	4.2
121.06526	4.4
121.10155	12.4
123.08076	1.7
123.11692	1.0
125.09572	1.1
127.07587	1.1
129.07059	1.0
131.08585	6.7
133.10155	8.0
134.47154	0.8
135.08081	3.8
135.11714	15.2
139.07536	1.9
145.10042	1.0
147.11699	1.6
149.13277	58.6
151.11180	1.5
154.08647	2.2
155.09018	1.6
156.09195	1.0
157.08566	1.8
159.11705	9.6
163.03934	1.2
177.12775	16.3
194.15434	3.3
195.13863	5.1
206.15472	2.6
212.16516	1.7
246.18634	3.6
264.19620	28.5
282.20682	60.7
283.21292	0.9
300.21729	100.0
301.21832	1.3
303.04803	1.0
318.06702	2.3
318.16800	2.1
318.22809	63.2
319.04324	2.0
319.23288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04949	0.9
53.03939	2.9
55.01870	2.9
55.05520	14.5
57.03434	1.8
57.07061	2.3
58.06613	23.0
65.03940	1.5
67.05515	44.8
69.03435	3.7
69.06730	1.1
69.07079	15.5
70.06603	77.7
71.05008	5.3
71.51964	1.2
72.08150	2.9
79.05502	36.6
81.03442	4.5
81.07069	55.1
83.04998	6.5
83.08627	7.3
84.04514	0.9
84.08168	1.4
85.02886	1.0
85.06546	2.8
86.09718	2.0
88.07644	63.4
91.05492	14.4
93.07059	54.0
95.04977	7.5
95.08620	36.2
97.06545	4.3
97.10180	2.4
98.06071	1.3
99.04467	1.5
99.08055	1.0
101.90096	1.0
105.04520	0.9
105.07043	7.2
106.08684	33.9
107.04978	7.1
107.08611	38.9
109.06504	2.6
109.10172	28.3
111.04449	1.4
111.08108	4.5
113.09700	0.9
117.07053	7.6
119.08604	4.2
121.06526	4.4
121.10155	12.4
123.08076	1.7
123.11692	1.0
125.09572	1.1
127.07587	1.1
129.07059	1.0
131.08585	6.7
133.10155	8.0
134.47154	0.8
135.08081	3.8
135.11714	15.2
139.07536	1.9
145.10042	1.0
147.11699	1.6
149.13277	58.6
151.11180	1.5
154.08647	2.2
155.09018	1.6
156.09195	1.0
157.08566	1.8
159.11705	9.6
163.03934	1.2
177.12775	16.3
194.15434	3.3
195.13863	5.1
206.15472	2.6
212.16516	1.7
246.18634	3.6
264.19620	28.5
282.20682	60.7
283.21292	0.9
300.21729	100.0
301.21832	1.3
303.04803	1.0
318.06702	2.3
318.16800	2.1
318.22809	63.2
319.04324	2.0
319.23288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2028
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
51.25647	0.5
53.03939	0.7
55.05515	5.7
55.76249	0.5
56.05051	0.7
56.42609	0.5
57.03440	0.7
57.07064	0.7
60.04532	21.5
67.05506	1.2
69.03425	1.4
69.07053	0.7
70.02956	1.8
70.06603	3.6
71.04996	1.4
71.52029	0.9
72.08164	67.5
74.06078	1.0
78.75738	0.6
79.05490	0.9
81.03431	1.5
81.96959	0.5
82.06595	0.7
83.04999	1.1
84.08160	2.8
85.02920	3.3
86.09717	36.8
87.05598	16.0
88.04035	0.6
91.05484	1.4
93.07052	1.2
94.06588	1.1
96.08145	2.3
97.02888	1.3
98.97598	0.7
100.07633	0.7
105.66381	0.6
107.04941	0.9
109.02890	0.8
112.07591	0.7
114.08419	1.0
114.09185	15.4
116.07065	0.7
118.08662	1.3
119.07313	0.8
120.08109	2.0
121.06519	0.6
127.03925	0.9
127.43767	0.6
128.10730	3.8
129.10245	1.7
130.06519	1.2
132.10226	5.2
138.05501	1.0
156.10252	1.9
159.11305	100.0
160.11739	0.9
164.77254	0.6
169.77350	0.6
173.12880	20.8
175.08707	0.8
187.10802	38.4
187.14392	2.2
201.12360	10.1
205.11925	1.4
210.14957	0.8
212.16473	3.0
213.02245	0.6
215.13957	0.7
219.13522	0.8
227.11681	0.7
228.16003	0.7
230.17630	3.5
231.17102	1.4
234.98853	0.9
247.20335	0.8
248.44940	0.6
274.16705	0.6
288.10281	0.8
300.10440	1.4
300.13550	1.2
300.18555	0.7
301.11829	2.2
301.24918	2.1
318.20401	0.8
318.27469	4.5
319.04605	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36775	0.3
53.03933	0.3
55.01871	0.4
55.05511	0.5
57.03423	1.0
60.04528	2.1
61.02927	1.4
67.05496	0.7
69.03436	3.5
69.07071	1.7
70.06602	2.1
70.86031	0.5
71.04994	0.5
72.08160	4.0
73.02906	0.9
74.06063	1.2
79.05478	0.4
81.03408	1.4
81.07058	0.5
82.06588	0.7
83.04996	0.5
84.04494	0.6
84.08125	0.9
85.02908	7.2
86.09711	10.6
87.04469	0.9
87.05591	1.0
91.03944	0.5
91.05474	0.8
93.07041	1.0
95.08604	1.8
96.04491	2.7
96.08146	2.0
97.02885	3.2
97.05276	1.6
97.06531	0.6
98.06052	0.3
99.04496	0.4
100.07607	1.2
104.07108	0.7
108.08113	0.7
109.02872	1.0
109.06476	0.3
110.06041	6.2
110.07159	0.4
110.09689	3.2
111.08106	1.0
116.07112	0.7
118.08666	0.4
120.08107	0.9
121.02855	0.6
121.05661	0.5
121.06503	4.9
125.08369	0.5
126.09163	9.4
127.03902	1.4
128.10710	1.7
128.95470	0.3
129.10272	0.5
130.06531	0.3
132.33121	0.3
136.07666	0.3
138.05524	0.4
138.09146	19.2
139.07610	1.5
139.75821	0.3
140.10760	0.3
142.12250	0.6
145.04999	1.4
152.10648	0.5
156.10207	100.0
159.11313	0.6
168.10225	0.9
173.12872	8.3
180.10217	0.9
183.08058	0.4
187.10756	0.5
187.14464	0.7
198.11235	1.1
201.12326	2.6
205.11841	0.6
212.16473	0.9
215.13928	1.2
222.11220	0.4
230.17542	1.1
255.06459	0.4
272.09055	0.3
288.10510	0.4
301.24850	1.1
318.11823	0.4
318.15506	3.0
318.27478	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
53.50815	1.5
55.01873	2.4
56.19015	1.3
57.03436	3.6
59.88289	1.5
61.02938	11.6
64.30176	1.5
69.03442	20.9
70.06602	35.6
70.93591	1.5
71.04986	2.8
71.37052	1.6
71.85406	1.4
72.08160	6.0
73.02914	4.7
81.03415	4.9
85.02914	100.0
87.04475	3.0
91.03962	5.9
93.07052	3.7
97.02895	22.3
99.04458	3.5
103.03938	1.9
103.05456	3.3
109.02886	7.1
121.02869	25.9
121.06517	83.9
123.08356	1.6
127.03925	20.8
130.06541	2.4
138.09157	1.6
139.03914	27.7
145.04979	38.5
145.06271	3.2
157.06468	2.3
157.07648	2.9
158.06015	2.3
159.08054	3.4
163.06061	9.0
163.07297	1.6
175.08823	3.5
180.08641	4.0
187.07570	18.4
198.39885	1.7
201.09114	2.2
205.08623	11.6
211.07310	1.6
212.16455	2.1
221.09192	7.4
229.08646	6.0
230.17491	3.8
247.09679	7.0
251.90955	1.4
265.10721	4.4
318.14502	5.2
318.27539	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	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01865	2.9
57.03440	2.9
61.02930	11.9
61.03204	2.5
65.07581	1.8
69.03431	19.4
69.76160	5.8
69.76562	3.7
71.04976	3.2
72.08142	1.9
73.02901	5.9
80.57249	2.0
81.03409	9.5
81.07053	1.6
82.06512	1.9
85.02905	100.0
86.09689	7.6
87.04469	2.4
91.03933	7.7
93.07056	2.7
95.04997	1.9
97.02897	24.3
99.04451	4.4
109.02911	10.4
121.06510	81.2
121.07391	4.1
126.38838	1.7
127.03922	21.4
132.10217	2.0
139.03909	3.7
145.04968	38.9
145.06227	2.5
156.10199	4.9
159.07904	3.3
163.06055	8.7
180.08673	21.2
187.07568	13.5
201.12262	3.4
205.08658	10.1
229.08525	5.3
247.09673	5.8
265.10776	3.5
272.03131	1.8
281.03870	1.8
318.15518	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	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36361	1.0
53.03949	2.3
54.11837	0.9
55.01863	2.9
57.03431	4.3
61.02933	9.5
68.59001	0.9
69.03088	1.5
69.03432	18.1
70.06601	6.3
70.65599	1.5
70.65903	1.0
71.04984	2.7
72.08144	1.5
73.02915	4.3
81.03429	7.6
85.02912	100.0
87.04459	2.8
91.03965	7.3
91.05491	2.0
93.07055	4.5
95.92665	1.1
97.02302	1.5
97.02900	20.6
99.04465	4.3
103.03943	1.2
103.05492	1.9
109.02901	8.5
115.03902	1.6
115.80148	1.0
121.02930	1.2
121.06512	76.4
122.06845	1.2
127.03925	18.1
128.21616	1.0
131.08556	1.3
139.03917	1.2
139.57193	1.2
141.06938	1.2
145.04973	39.6
145.06248	1.3
157.06538	1.3
159.08023	4.2
161.05943	1.0
163.06036	11.6
175.07564	2.5
179.07068	3.4
180.08675	3.7
187.07556	14.7
205.08611	13.4
211.07584	1.2
212.16634	1.0
229.08586	6.2
235.09723	2.1
247.09612	5.4
265.10712	3.6
276.06042	1.2
318.14606	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Coniferylalcohol-4-O-geranyl ether
Peak:m/z	Relative Intensity
55.05512	4.7
57.07066	2.4
65.03954	0.7
65.29260	0.8
67.05508	5.1
69.06734	1.1
69.07076	14.0
69.98997	1.4
69.99357	3.0
73.68255	0.8
79.05493	3.7
81.07057	24.1
83.08633	2.5
87.10306	0.8
91.05494	2.8
93.07049	3.3
94.04234	1.2
95.08609	25.2
97.10175	2.5
98.21431	1.2
103.05464	3.9
103.60248	0.7
105.07048	2.4
107.04964	1.2
107.08604	3.4
109.10190	4.8
117.07024	2.1
119.08607	3.0
121.10152	1.5
121.49482	0.8
122.03671	6.2
123.11734	4.1
125.09634	0.8
128.06200	1.3
129.07030	3.5
131.04930	9.4
131.08582	2.3
132.80634	0.8
135.11726	1.4
137.05981	100.0
137.13258	15.2
141.07004	1.1
143.08569	2.2
145.06480	4.9
145.10139	1.8
149.13298	1.1
151.07582	5.1
153.05531	0.8
155.08546	1.5
157.06519	3.6
157.10211	1.2
158.07297	1.2
159.08047	4.8
160.05231	2.4
161.05997	1.7
163.07516	6.1
163.14743	1.8
165.09143	1.5
169.06538	1.3
171.08096	2.5
172.05281	1.1
173.09656	3.1
174.06772	3.2
175.07527	9.6
175.14879	2.6
176.08321	1.0
177.09181	4.5
178.88603	0.8
179.10709	1.3
181.06386	0.9
183.08136	1.6
183.11740	1.9
185.09673	2.0
187.07564	10.7
188.08347	2.7
189.09122	14.9
189.10754	1.1
191.10663	8.2
193.08575	1.9
193.10164	1.2
193.15926	1.0
197.09650	2.9
200.08380	1.9
201.09149	7.9
202.09863	1.2
203.10678	9.5
205.12279	7.6
207.10110	2.5
209.09671	0.9
211.11150	5.6
214.09888	1.3
215.10669	6.7
217.12189	5.3
219.13837	0.9
221.11711	0.9
225.12726	1.3
228.11563	1.7
229.12210	7.1
230.13078	1.2
231.13800	2.3
233.11627	1.7
241.12334	1.1
242.12982	1.0
243.13843	13.0
253.09641	0.9
255.13774	1.3
257.15372	2.9
261.10867	1.1
261.14905	6.0
267.17404	2.2
271.17004	1.4
299.16751	1.7
299.20056	21.7
317.17618	1.6
317.21100	24.9
332.67114	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.9
55.05514	12.6
57.07059	5.5
59.04989	4.2
60.04517	5.2
64.36975	1.5
67.05510	42.1
69.03422	5.7
69.07063	4.2
69.74654	1.5
70.06597	2.0
71.04997	3.6
74.45293	1.6
79.05507	9.0
81.07066	28.7
83.05001	3.1
83.08621	6.6
85.06561	3.5
91.05486	10.7
93.07063	15.3
95.04974	23.5
95.08614	18.6
97.06533	4.9
98.20776	5.0
105.07046	18.3
107.04977	2.1
107.08600	38.8
109.06540	13.6
109.10167	75.0
111.08067	2.5
117.07043	3.5
119.08588	47.4
121.06510	6.6
121.10201	7.3
122.07306	2.0
123.08072	20.7
129.07014	2.8
131.08511	7.6
133.06464	4.6
133.10121	9.4
135.08041	8.5
135.11705	2.0
137.09630	53.9
143.08537	3.4
144.09409	2.3
145.10135	8.3
147.08038	5.0
147.11688	5.8
149.09644	6.6
151.07558	53.8
153.05486	5.7
155.08566	2.3
156.09276	1.5
157.10097	3.3
159.08066	4.1
159.11691	5.7
161.09558	8.9
161.13246	2.4
163.11200	4.2
165.09125	5.2
167.07123	1.7
169.10138	2.0
171.11752	3.9
173.09650	2.7
173.13306	4.0
175.11150	2.3
177.09123	2.0
179.10733	2.6
181.08592	6.4
181.12279	2.0
183.11720	2.5
189.12727	20.4
191.10777	2.3
191.14304	2.3
192.79285	1.7
195.06465	2.9
197.13297	2.1
199.11185	3.2
203.14391	2.6
207.13818	20.9
213.16302	2.5
215.14270	2.9
221.15419	6.0
225.12823	1.9
233.15349	2.9
237.12799	1.5
237.14772	7.8
239.17914	2.2
241.15941	2.5
243.13823	9.2
256.26434	2.5
261.14932	4.9
281.19012	3.7
299.19980	13.7
317.21143	100.0
317.28851	6.2
318.30035	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	317.2114
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.01864	2.9
55.05514	12.6
57.07059	5.5
59.04989	4.2
60.04517	5.2
64.36975	1.5
67.05510	42.1
69.03422	5.7
69.07063	4.2
69.74654	1.5
70.06597	2.0
71.04997	3.6
74.45293	1.6
79.05507	9.0
81.07066	28.7
83.05001	3.1
83.08621	6.6
85.06561	3.5
91.05486	10.7
93.07063	15.3
95.04974	23.5
95.08614	18.6
97.06533	4.9
98.20776	5.0
105.07046	18.3
107.04977	2.1
107.08600	38.8
109.06540	13.6
109.10167	75.0
111.08067	2.5
117.07043	3.5
119.08588	47.4
121.06510	6.6
121.10201	7.3
122.07306	2.0
123.08072	20.7
129.07014	2.8
131.08511	7.6
133.06464	4.6
133.10121	9.4
135.08041	8.5
135.11705	2.0
137.09630	53.9
143.08537	3.4
144.09409	2.3
145.10135	8.3
147.08038	5.0
147.11688	5.8
149.09644	6.6
151.07558	53.8
153.05486	5.7
155.08566	2.3
156.09276	1.5
157.10097	3.3
159.08066	4.1
159.11691	5.7
161.09558	8.9
161.13246	2.4
163.11200	4.2
165.09125	5.2
167.07123	1.7
169.10138	2.0
171.11752	3.9
173.09650	2.7
173.13306	4.0
175.11150	2.3
177.09123	2.0
179.10733	2.6
181.08592	6.4
181.12279	2.0
183.11720	2.5
189.12727	20.4
191.10777	2.3
191.14304	2.3
192.79285	1.7
195.06465	2.9
197.13297	2.1
199.11185	3.2
203.14391	2.6
207.13818	20.9
213.16302	2.5
215.14270	2.9
221.15419	6.0
225.12823	1.9
233.15349	2.9
237.12799	1.5
237.14772	7.8
239.17914	2.2
241.15941	2.5
243.13823	9.2
256.26434	2.5
261.14932	4.9
281.19012	3.7
299.19980	13.7
317.21143	100.0
317.28851	6.2
318.30035	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	317.2115
Annotation	Coniferylalcohol-4-O-geranyl ether
Peak:m/z	Relative Intensity
53.03950	1.1
55.05516	4.2
57.03432	0.8
57.07072	2.3
57.07312	0.5
65.03958	0.8
67.05507	5.6
69.03426	0.6
69.07077	13.8
70.00590	2.3
71.05005	0.7
71.08614	0.6
79.05510	4.9
81.07066	25.9
83.08630	2.7
91.05501	3.1
93.07055	3.8
94.04192	1.2
95.08617	24.9
97.10175	1.6
98.21435	0.7
99.08109	0.5
103.05488	3.6
104.18206	0.5
105.07044	4.1
107.04951	1.4
107.08616	3.8
109.10162	5.7
109.93436	0.5
115.05487	1.6
117.07027	2.0
119.08631	2.4
121.10155	2.0
122.03683	4.7
123.11713	4.2
125.05997	0.9
125.09615	0.8
128.06232	1.6
129.07016	2.8
131.04947	10.8
131.08615	2.5
131.85603	0.5
133.06494	0.8
133.10121	1.3
135.11722	2.0
137.05992	100.0
137.13266	14.9
138.06387	0.7
141.06972	1.0
143.04990	1.0
143.08583	1.7
144.05687	0.8
145.06480	4.7
145.10138	1.5
147.08011	0.7
149.05991	0.7
149.13268	1.0
151.07562	4.7
153.05475	1.0
154.07831	0.6
155.08572	2.3
157.06531	5.2
157.10214	0.5
158.07307	0.9
159.08070	4.3
160.05222	1.9
161.06007	2.1
162.06796	0.6
163.07559	6.9
163.14832	1.5
165.09114	1.7
167.07063	1.4
168.09293	0.6
169.06528	1.4
169.10204	1.6
171.08064	2.7
172.05232	0.6
173.06050	0.7
173.09656	3.3
174.06773	2.9
175.07573	11.1
175.14853	1.9
176.08395	0.5
177.09097	3.6
179.10643	0.8
181.06520	0.5
182.79860	0.5
183.08084	2.1
183.11673	2.4
185.09772	1.2
187.07559	9.3
187.11240	0.6
188.08362	2.1
189.09122	13.7
190.09877	0.6
191.07039	1.2
191.10698	7.7
193.08664	2.5
193.10181	0.9
193.15877	1.0
197.09631	3.5
199.11118	0.8
201.09146	9.0
203.10704	11.6
205.12268	6.9
205.14012	0.9
207.10243	3.1
211.11189	5.6
213.09084	1.4
214.09929	1.1
215.10684	5.8
217.12239	4.4
219.10106	0.8
221.11678	1.0
225.12695	0.8
227.10571	0.6
228.11465	1.5
229.12251	6.0
230.13048	0.9
231.13847	2.0
233.11700	0.9
243.13847	11.4
245.15421	0.9
247.13431	1.3
257.15350	2.6
261.14893	5.5
267.17487	1.7
287.19992	1.2
299.16708	1.0
299.20053	21.9
317.06647	0.7
317.17395	1.3
317.21130	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	317.175
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
55.05511	0.8
63.64428	0.2
65.03944	0.3
66.68504	0.1
67.05495	0.2
69.06728	0.2
69.07072	2.6
69.16474	1.4
81.07063	0.8
83.08605	0.6
91.05486	4.6
95.08573	0.3
97.10141	0.3
103.05483	0.3
105.07016	0.4
111.11750	0.4
115.05461	0.4
117.07013	0.2
119.04125	0.2
119.04956	2.9
121.02852	0.3
122.97343	0.1
123.11727	1.2
128.06215	0.2
131.04897	0.2
133.06509	1.0
137.13245	0.3
145.06500	0.3
147.04419	13.5
157.06361	0.1
159.04424	1.3
161.05983	0.2
163.03864	0.4
173.05977	0.8
175.03914	100.0
176.04253	0.5
177.05475	0.6
181.52208	0.1
183.02841	1.2
187.03905	0.7
187.07532	0.4
189.05478	12.3
201.05482	1.7
203.07027	3.6
215.07005	1.3
216.06583	0.4
217.08624	2.7
222.47769	0.2
229.08638	1.1
231.10178	2.4
243.10173	3.6
257.11813	0.5
286.89624	0.2
299.16434	5.2
302.04227	0.2
317.06598	0.8
317.10193	1.0
317.17514	2.5
317.20889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35453	0.9
55.01862	2.2
56.05030	6.8
56.96564	5.9
57.03424	2.2
61.02917	2.3
65.32693	0.9
68.05023	1.5
69.03445	6.8
69.07072	5.2
69.84285	2.8
69.84679	1.9
70.06602	6.9
70.98114	1.0
72.08144	4.2
73.02905	4.7
73.06559	1.6
75.05592	2.5
76.04011	9.6
81.03430	1.3
83.06110	61.6
84.04512	82.3
84.08151	11.4
84.96017	1.7
85.02913	13.7
86.09713	100.0
87.04467	1.2
90.05524	1.4
91.05483	1.4
94.65383	1.0
96.04485	4.2
97.02922	6.8
98.97593	11.2
100.02167	1.6
101.00861	1.6
101.02490	1.1
101.07148	11.4
102.33121	1.2
110.06068	1.6
110.97584	3.2
111.04456	1.3
113.03468	1.2
113.07144	5.0
116.07078	1.5
116.98640	2.5
119.01834	3.1
124.03919	2.6
124.11266	1.0
127.03900	3.3
128.98628	3.1
129.06610	15.9
129.10246	4.8
130.06541	1.7
130.08655	1.2
134.99669	1.2
137.05989	1.5
137.07022	1.2
139.03975	1.0
140.07066	2.5
141.05507	1.7
141.06570	10.1
141.10262	2.1
145.04984	1.9
146.04147	2.3
146.99626	1.0
147.03265	1.7
151.13422	1.1
152.10741	7.4
155.03394	2.0
155.04610	14.7
155.11789	2.2
156.06477	2.3
157.07584	5.3
158.99644	2.6
161.01221	1.6
161.02946	1.2
163.03905	2.4
164.05220	1.4
165.05579	1.3
167.04539	2.6
169.13385	3.6
170.99660	1.5
177.00694	2.8
178.08736	1.9
182.03392	1.2
185.07069	1.4
186.08879	1.6
189.12352	3.8
191.03957	1.2
196.14474	54.5
197.12869	74.5
200.13957	8.6
201.00732	1.4
214.15511	15.8
218.06328	1.1
219.01778	6.4
224.13982	14.9
225.12347	44.0
227.03168	1.7
227.06769	19.5
227.56996	1.8
228.13330	2.5
236.07347	11.0
236.57428	3.0
237.02780	5.7
242.14993	9.1
260.10315	4.3
291.07458	3.2
299.17160	55.5
300.15558	8.2
309.08630	9.6
316.68353	1.2
317.08698	1.2
317.12152	7.4
317.18472	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	317.175
Annotation	11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone
Peak:m/z	Relative Intensity
55.05496	9.6
69.03443	4.6
69.07063	14.6
69.36083	27.1
76.48234	2.9
80.40890	3.1
81.07049	4.3
83.04992	74.8
107.04899	3.4
113.06013	6.8
129.06999	4.4
141.06960	3.6
149.05969	3.6
151.07585	18.1
155.08577	3.8
157.06540	8.4
158.07231	7.5
159.08032	4.5
165.07027	4.1
165.09154	27.7
167.04929	9.5
167.08479	3.0
169.06477	5.7
170.07275	4.2
171.08052	12.0
172.08842	12.2
173.05908	5.3
174.06731	6.9
174.10400	3.8
175.07481	7.6
176.08311	8.9
177.09122	9.5
179.08504	6.0
181.10078	3.9
181.63747	3.3
182.07146	4.0
183.08058	17.8
184.08832	8.8
185.05832	2.9
185.09644	8.6
186.06752	8.7
187.07527	5.8
188.08379	16.8
189.09113	26.0
190.09851	9.2
191.10625	21.8
195.08035	11.4
196.08844	5.3
197.09644	18.9
198.10448	11.1
199.07552	30.7
199.11255	4.9
200.08290	5.9
201.09108	68.8
202.09883	10.7
203.10706	31.1
204.11334	4.6
205.08627	5.8
205.12308	11.4
208.08801	5.4
209.09573	10.3
210.10306	4.8
211.07622	7.2
211.11154	13.1
212.08505	4.1
212.11975	28.3
213.09175	23.2
214.09966	6.3
215.10606	27.7
216.07765	5.7
217.12268	17.6
219.13795	6.4
221.09677	4.2
223.11211	9.8
224.12070	3.9
225.09097	11.4
225.12772	8.4
226.09956	10.2
226.13368	3.6
227.10634	20.9
228.11443	51.1
229.12233	16.2
230.12782	3.7
231.10199	18.3
231.13837	6.7
233.11728	14.7
235.11205	9.5
237.12782	5.1
238.13522	6.6
239.10661	7.2
240.11510	4.4
240.15117	7.3
241.12151	11.0
242.13037	81.8
243.10046	10.1
243.13821	84.1
245.15367	6.3
249.11148	8.7
250.13487	12.7
251.10518	4.0
253.12230	10.8
254.13034	11.4
255.13795	30.1
256.14529	4.7
257.11557	4.1
257.12527	3.9
257.15341	48.2
259.13345	3.8
259.17148	3.9
261.11258	31.7
266.13077	4.6
268.14584	3.6
269.15369	51.1
271.16928	26.8
281.15347	15.7
281.33978	3.7
287.16486	21.1
289.12234	3.8
299.16431	100.0
302.09036	4.0
317.11987	19.2
317.17477	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1748
Annotation	11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone
Peak:m/z	Relative Intensity
50.23417	4.5
55.05507	9.2
67.05507	6.9
69.03426	6.6
69.07076	17.0
70.97598	9.6
81.07055	9.5
83.04975	49.8
91.05495	10.2
93.07036	13.4
93.97479	4.7
95.08614	5.4
105.07039	7.7
107.08633	7.0
113.06007	9.5
131.08588	10.4
135.04497	8.5
151.07532	17.8
151.75279	4.6
153.07007	8.7
153.69472	4.5
157.06509	6.6
159.08002	9.2
164.36404	6.6
165.09116	28.2
167.04909	5.8
171.08066	13.1
172.08801	10.7
173.09514	5.8
174.10541	7.8
175.07587	13.2
177.09346	6.2
179.08571	7.9
183.08060	15.5
184.08882	7.3
185.09647	7.0
187.07628	5.9
188.08331	17.2
189.09143	24.8
190.09845	7.7
191.10692	22.0
195.08083	12.5
196.08888	6.5
197.09691	24.8
198.10484	9.0
199.07549	19.9
200.08371	9.1
201.09122	44.8
203.10664	28.9
204.11469	6.9
205.08664	6.6
205.12259	11.3
209.09616	12.2
211.11174	8.7
212.08527	6.4
212.11980	23.0
213.09151	30.1
215.10721	27.2
217.12277	16.1
219.13933	9.5
223.11237	7.9
225.09190	8.7
225.12752	7.7
226.13631	6.0
227.10681	21.1
228.11453	42.3
229.12187	13.7
231.10179	14.7
231.13872	9.8
233.11836	8.1
235.11197	9.9
237.12683	7.8
238.13640	11.0
239.10805	6.5
240.11420	5.1
240.15033	9.3
241.12201	15.8
242.13058	50.7
243.10226	10.9
243.13812	80.9
245.15456	9.3
249.10980	6.6
250.13712	12.2
251.10748	7.2
253.12379	7.0
254.13148	8.0
255.13866	26.7
257.15405	30.2
259.16904	7.1
261.11255	33.0
268.14520	5.6
269.15353	36.5
271.17010	25.9
281.15442	14.9
287.16342	12.6
289.12228	5.3
299.16458	100.0
299.19794	9.3
302.04037	6.9
317.06702	23.6
317.11899	24.3
317.17599	59.3
317.21091	7.5
317.24875	9.2
317.32422	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	317.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
56.96563	1.8
57.07068	1.4
60.04528	2.2
65.14252	0.6
67.03136	0.5
67.05501	2.3
68.21991	0.6
69.03444	0.6
69.07076	1.3
70.06592	1.7
70.93719	1.0
71.08644	1.0
71.98012	0.6
79.05485	1.8
80.62455	0.6
81.07050	2.8
83.04991	1.3
88.07636	2.5
91.05490	1.2
93.07055	1.5
95.04983	0.9
95.08574	1.1
105.07062	1.1
106.08678	2.5
109.10176	1.1
111.26512	0.6
117.07050	1.0
119.08585	1.1
121.10177	0.7
123.04411	1.6
129.06931	0.7
131.08527	0.9
133.10219	1.2
136.93094	1.1
140.69193	0.6
143.08667	0.7
145.10110	0.8
149.06018	0.8
149.09717	0.6
152.06284	0.8
153.07047	3.3
154.94267	1.1
155.08591	1.3
157.06497	0.9
157.10182	0.6
159.08160	0.6
159.09712	0.6
160.05232	0.6
161.05988	1.6
165.06972	3.2
166.07816	3.5
167.08592	3.5
167.66034	0.6
169.06490	1.2
172.95218	0.9
173.06013	2.7
175.07591	0.8
175.28078	0.6
176.79321	0.6
177.06932	0.6
178.07796	4.4
179.08649	0.8
180.09343	1.4
181.06474	7.2
181.10146	1.1
182.07326	0.9
183.08044	1.6
187.07558	1.9
189.09196	0.9
192.09366	1.0
193.10144	2.0
194.07249	4.3
195.08090	6.6
195.11760	4.2
196.08955	1.2
197.05971	6.1
197.09642	1.1
198.06729	1.2
199.07576	6.1
201.09157	1.9
205.06581	1.2
206.07318	2.6
207.08095	5.8
207.11745	1.2
208.08823	1.5
209.09660	1.4
210.06886	3.3
211.07550	6.6
211.11206	1.7
212.08337	19.2
213.09111	5.6
213.12640	0.8
215.10628	0.7
221.09645	2.0
223.07607	5.5
223.11162	8.2
224.08330	22.2
225.09143	2.9
225.12617	1.0
226.09923	0.9
227.10655	1.5
235.11108	1.0
239.10669	10.0
241.12242	50.7
243.13773	3.7
251.10818	1.3
253.12253	100.0
254.12569	0.9
257.11707	3.8
269.11746	4.1
271.13324	42.5
281.11536	0.8
299.12796	6.8
316.32126	5.0
317.06555	0.8
317.13828	6.6
317.17834	5.3
317.21234	1.8
317.28973	1.0
317.32422	6.5
335.18900	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	317.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.0
55.05513	7.1
56.00214	0.8
56.05038	1.2
56.96569	28.9
57.03440	8.6
59.04982	1.6
60.00728	0.8
60.04505	1.1
60.73734	0.9
61.02934	9.7
67.05493	0.9
69.03437	25.7
69.07079	1.4
70.03777	1.7
70.06603	6.8
70.98141	1.3
71.01336	1.4
71.04995	2.9
71.51660	1.8
71.95288	1.3
72.08165	15.2
72.96032	0.9
73.02929	12.5
73.06562	6.2
74.02456	4.2
74.06071	1.6
75.05620	1.0
80.26591	0.9
81.03419	6.6
83.01345	1.0
83.06086	1.0
83.86313	0.8
84.04510	5.8
84.08156	36.4
84.96028	4.0
85.02914	46.0
85.08491	1.2
86.03242	2.5
86.09716	87.9
87.04472	3.6
87.05598	9.5
88.04007	1.4
91.03974	3.1
91.05429	1.2
93.07068	0.9
97.02905	21.8
97.06541	1.1
98.03255	2.0
98.97595	89.1
99.04456	4.8
99.97934	1.8
101.00825	2.3
101.02438	1.7
103.02451	1.1
103.03951	1.1
109.02914	5.1
110.01292	3.4
110.06056	1.3
110.97578	12.7
112.08768	1.3
112.11292	1.2
112.99160	2.8
115.03936	3.0
116.03207	1.5
116.07124	2.7
116.98634	32.6
119.00295	1.0
119.01858	8.9
119.04983	1.3
120.01995	0.9
121.02891	1.1
124.99144	3.3
127.00713	2.9
127.03934	18.9
128.02315	2.1
128.04300	1.9
128.98621	10.1
129.02289	2.0
129.04051	0.8
129.06589	1.1
129.10246	17.8
130.05034	5.4
130.08646	2.7
130.93336	2.3
131.00204	2.8
131.01912	2.6
133.06104	52.8
134.99678	8.6
135.04396	1.5
136.06210	2.4
136.07611	2.1
136.93143	5.8
137.05927	1.9
137.07899	1.3
140.02379	2.0
140.07088	8.6
140.98615	2.4
143.00204	5.9
143.01903	3.1
143.11838	4.6
144.98106	1.2
145.01747	5.3
145.02783	1.2
145.04967	8.4
146.02272	2.5
146.04123	9.1
146.54465	0.9
146.99695	6.1
147.03265	5.5
147.04437	2.3
147.07692	7.2
149.01237	1.7
149.02971	1.0
150.05525	1.4
152.02383	2.1
152.98599	1.5
153.03177	1.3
154.03918	8.7
154.54079	4.7
154.93240	2.9
154.94304	8.7
155.01877	1.8
155.04671	55.4
155.54831	3.8
157.01788	1.3
157.03464	1.1
157.07610	1.1
157.13383	45.0
158.99684	24.7
159.99953	1.1
161.01303	4.4
161.02722	4.4
161.04749	1.0
163.02731	2.3
163.04070	6.8
163.06201	1.6
163.54588	1.1
164.05293	8.3
165.04375	2.4
166.55475	2.1
168.01880	1.2
170.03421	1.3
170.99725	4.7
171.03258	2.1
172.94211	3.6
172.95300	5.5
173.01355	2.1
173.02882	2.1
173.06758	0.9
175.02698	1.0
177.00739	14.0
177.02217	1.8
177.04251	1.1
178.08650	6.8
182.03383	3.8
182.04987	1.0
182.53564	1.9
182.99625	1.3
183.05069	1.2
185.01248	1.2
185.12869	19.1
186.04401	1.6
186.12436	1.2
187.02884	1.8
187.04527	1.6
188.05194	2.8
189.00746	4.6
189.02771	1.0
189.04294	4.8
189.05913	1.4
190.04776	1.4
190.55025	1.2
190.95343	2.9
190.96547	1.3
190.98586	1.8
191.02405	1.4
191.04138	4.7
191.05707	4.5
191.54141	1.2
194.98395	1.2
196.95378	4.3
197.06615	1.3
200.04382	1.9
201.00716	4.5
201.04385	1.5
203.04085	1.2
203.05862	1.2
204.05409	2.1
204.09880	1.1
205.05597	1.7
206.06194	1.6
207.01855	1.2
208.96417	1.1
214.95561	9.7
215.02342	1.3
215.07678	2.4
217.00217	1.4
218.06210	6.4
219.01747	15.3
219.05281	2.1
220.02275	2.1
221.04967	2.0
226.05969	8.5
226.56154	14.2
226.96075	1.5
227.06779	100.0
227.56990	7.6
228.05646	3.3
231.05368	2.2
232.96455	16.6
232.99667	1.7
235.06540	3.8
235.56712	11.3
236.07317	79.1
236.57449	5.9
237.00758	1.8
237.02853	14.3
237.06424	2.0
238.03235	2.5
240.96875	1.3
244.97377	1.7
246.14531	2.0
247.58295	1.1
250.97536	3.6
255.03922	2.7
256.96469	6.8
257.05365	1.3
261.02911	1.7
264.02368	1.3
268.96442	1.3
273.02795	1.2
274.97531	27.7
275.97928	2.8
276.07559	1.2
286.97546	4.1
287.52359	1.0
288.92133	1.4
289.06100	3.0
290.06320	1.3
291.07382	8.2
292.98584	11.4
297.99213	1.5
299.09793	1.7
299.17273	1.2
307.07123	4.9
308.07135	2.2
309.05118	1.8
309.08600	27.0
310.09036	1.6
316.99207	3.5
317.06308	6.3
317.12299	11.2
317.15005	1.5
317.18311	3.1
317.21881	8.8
335.00305	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	317.0657
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
50.26217	0.1
55.01881	0.1
65.03943	0.1
68.99793	0.4
69.77426	0.5
71.01363	0.1
71.04957	0.1
78.04713	0.1
79.05488	0.2
81.03391	0.1
81.07049	0.1
82.04221	0.1
87.99937	0.1
93.07021	0.2
94.04173	0.4
95.04946	0.1
97.02877	0.1
99.00815	0.3
105.03385	0.3
105.04411	0.1
106.04202	0.4
107.04958	2.9
108.05691	0.1
109.02882	0.1
109.10120	0.1
112.01603	0.4
118.04176	0.3
121.02010	0.1
121.02869	2.1
123.00841	0.1
123.11693	0.1
124.01591	0.2
127.00294	0.3
131.04935	1.3
132.05782	0.1
133.02786	0.1
134.02647	0.1
134.03641	1.9
135.04424	0.1
137.02347	0.1
137.75249	0.1
138.03093	0.1
139.00261	0.5
140.01041	0.5
142.02698	0.1
144.05737	0.4
145.02849	0.3
147.04427	0.4
152.01012	0.2
153.01675	0.1
154.99704	0.1
155.04916	0.2
158.03668	0.9
159.04402	0.1
160.05142	0.1
161.02319	0.1
162.03133	0.1
163.03943	0.1
168.00555	2.2
169.01334	1.6
171.04399	0.2
172.05165	0.5
175.03914	0.1
177.05431	0.2
180.00560	0.1
182.03618	0.2
183.02945	0.1
184.05165	0.1
186.01587	0.5
186.03149	0.4
187.03908	0.4
200.04697	1.1
201.05475	0.1
203.03429	0.4
204.04216	0.2
205.04967	0.2
211.03900	0.3
214.02565	0.2
217.04994	0.2
218.05721	0.1
220.67325	0.1
227.03496	0.3
228.04173	3.9
229.04956	0.9
230.02039	0.1
231.02876	0.8
232.03575	0.1
239.03416	0.4
245.04475	1.0
246.05246	1.2
255.02956	0.5
256.03714	0.9
257.04449	2.7
267.02859	0.4
271.02393	0.3
271.06027	0.1
273.03937	3.2
274.04736	2.5
283.02359	0.6
284.03165	0.3
285.03955	7.5
286.04633	0.1
301.03445	7.6
302.04214	78.7
303.01556	0.1
303.04572	0.6
317.06561	100.0
318.06918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
54.36850	0.2
55.05515	0.3
62.92072	0.2
65.03933	0.6
68.99798	0.4
69.03438	0.3
69.07066	0.3
70.06554	0.2
70.70119	0.7
71.04983	0.5
79.05482	0.4
81.03410	0.5
81.07043	0.8
84.08145	0.3
85.02903	0.4
86.09696	0.2
91.05478	0.3
92.02634	3.1
93.03415	3.0
93.07044	0.2
95.04961	0.3
97.02894	0.3
98.97554	0.3
107.04960	0.7
109.02876	0.6
109.10143	0.4
111.00838	0.5
121.02866	2.1
121.10099	0.2
122.03658	0.4
123.04445	0.3
124.05131	0.2
126.03146	1.0
127.03924	0.3
131.04997	0.2
131.08586	0.3
131.84576	0.2
135.04472	0.3
137.02318	0.8
137.06007	0.3
139.03902	1.1
139.08649	0.4
145.06400	0.3
149.07149	0.5
150.05554	0.3
151.03932	1.5
153.01837	15.3
155.04720	0.3
163.03943	0.3
165.01822	0.9
165.05495	0.2
166.02563	0.3
173.06013	0.4
175.04192	0.4
176.04721	0.3
177.05447	0.5
181.08414	0.2
183.02863	0.4
187.04008	0.3
187.08728	0.2
187.60031	0.2
189.05573	0.3
195.10243	0.5
200.04581	0.6
201.05522	1.4
203.03426	1.4
204.04140	0.2
217.04951	2.5
218.05765	0.9
219.02924	0.4
228.04190	3.8
229.04993	4.9
231.02875	1.0
232.03821	0.2
243.06587	0.4
245.04449	3.6
246.05309	3.1
256.03732	0.6
257.04443	3.5
260.03262	0.6
261.07587	0.6
271.05859	0.3
273.03925	3.4
274.04742	6.6
284.03149	0.8
285.03955	5.4
287.01837	0.3
288.06421	0.3
301.03470	0.4
302.04227	21.2
317.06570	100.0
318.03671	0.3
318.06961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36850	0.2
55.05515	0.3
62.92072	0.2
65.03933	0.6
68.99798	0.4
69.03438	0.3
69.07066	0.3
70.06554	0.2
70.70119	0.7
71.04983	0.5
79.05482	0.4
81.03410	0.5
81.07043	0.8
84.08145	0.3
85.02903	0.4
86.09696	0.2
91.05478	0.3
92.02634	3.1
93.03415	3.0
93.07044	0.2
95.04961	0.3
97.02894	0.3
98.97554	0.3
107.04960	0.7
109.02876	0.6
109.10143	0.4
111.00838	0.5
121.02866	2.1
121.10099	0.2
122.03658	0.4
123.04445	0.3
124.05131	0.2
126.03146	1.0
127.03924	0.3
131.04997	0.2
131.08586	0.3
131.84576	0.2
135.04472	0.3
137.02318	0.8
137.06007	0.3
139.03902	1.1
139.08649	0.4
145.06400	0.3
149.07149	0.5
150.05554	0.3
151.03932	1.5
153.01837	15.3
155.04720	0.3
163.03943	0.3
165.01822	0.9
165.05495	0.2
166.02563	0.3
173.06013	0.4
175.04192	0.4
176.04721	0.3
177.05447	0.5
181.08414	0.2
183.02863	0.4
187.04008	0.3
187.08728	0.2
187.60031	0.2
189.05573	0.3
195.10243	0.5
200.04581	0.6
201.05522	1.4
203.03426	1.4
204.04140	0.2
217.04951	2.5
218.05765	0.9
219.02924	0.4
228.04190	3.8
229.04993	4.9
231.02875	1.0
232.03821	0.2
243.06587	0.4
245.04449	3.6
246.05309	3.1
256.03732	0.6
257.04443	3.5
260.03262	0.6
261.07587	0.6
271.05859	0.3
273.03925	3.4
274.04742	6.6
284.03149	0.8
285.03955	5.4
287.01837	0.3
288.06421	0.3
301.03470	0.4
302.04227	21.2
317.06570	100.0
318.03671	0.3
318.06961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0659
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01879	0.1
58.71196	0.1
58.78965	0.1
63.27459	0.1
65.03938	0.7
67.01888	0.2
67.05505	0.2
68.99471	0.1
68.99798	0.4
69.58287	0.3
69.58700	0.4
75.02755	0.1
76.25503	0.1
79.05476	0.1
81.03439	0.3
81.07082	0.8
81.51675	0.1
88.81712	0.1
91.05466	0.2
92.02638	2.5
93.03417	2.8
93.07076	0.1
94.06781	0.1
95.04963	0.3
95.08614	0.2
97.06544	0.1
109.02885	0.3
109.06531	0.2
111.00807	0.3
117.07011	0.2
119.03722	0.1
120.02090	0.1
121.02884	2.2
122.03657	0.1
123.04374	0.2
126.03147	1.3
128.06218	0.1
129.06966	0.2
131.04935	0.2
133.02812	0.1
135.04396	0.2
137.02351	0.5
137.05962	0.2
138.05493	0.3
139.03915	1.6
144.08022	0.2
145.02843	0.1
145.06531	0.2
146.09592	0.2
149.02277	0.2
150.03131	0.2
151.03938	1.2
151.05002	0.2
152.01050	0.2
153.01842	15.9
155.04909	0.2
157.08891	0.2
161.06050	0.1
163.03941	0.3
164.03516	0.2
165.01837	1.0
165.04228	0.2
166.02660	0.3
166.04991	0.1
172.05223	0.1
172.07777	0.1
172.11253	0.3
173.06004	0.2
174.12833	0.2
175.03973	0.2
177.01834	0.2
177.05467	0.3
179.03374	0.2
183.02879	0.3
183.04382	0.2
187.03935	0.3
189.05603	0.2
190.06288	0.2
192.04214	0.2
193.01337	0.2
193.12233	0.1
200.04701	0.6
200.10732	0.5
201.05472	1.4
202.12317	0.2
203.03423	1.3
204.04286	0.2
211.03868	0.1
211.44753	0.1
215.03242	0.1
217.05016	2.3
218.05753	1.3
218.11794	1.3
219.02893	0.5
228.04166	3.4
228.10204	0.7
229.04982	7.0
231.02911	1.0
232.03745	0.3
239.03362	0.1
243.06558	0.3
245.04489	3.4
246.05278	3.0
246.11227	1.0
247.02359	0.2
256.03693	0.5
257.04483	4.1
260.03113	0.7
261.07669	0.4
271.06018	0.3
271.10785	0.3
272.09549	0.2
273.03958	3.2
273.20551	0.1
274.04745	6.1
274.10764	0.2
284.03253	0.9
285.03964	7.1
286.04700	0.2
287.01877	0.3
287.10342	0.3
288.06256	0.5
289.11829	0.4
299.05115	0.1
299.10208	0.5
301.03418	0.3
302.04239	20.0
303.04651	0.2
317.06580	100.0
318.06982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
55.05518	0.1
55.40313	0.1
57.82205	0.1
59.04992	0.1
59.56682	0.1
60.27400	0.1
65.03956	0.6
67.05511	0.2
68.99819	0.4
69.03437	0.6
71.52148	0.2
79.05495	0.2
81.03440	0.5
81.07054	0.3
83.08617	0.1
84.08199	0.1
86.09727	0.3
91.05476	0.2
92.02633	2.5
93.03413	2.6
93.07051	0.3
94.04225	0.2
95.01350	0.1
95.05018	0.1
95.08617	0.3
97.02939	0.2
97.06555	0.2
98.02283	0.1
105.03397	0.2
105.07038	0.4
107.04994	0.2
107.08595	0.2
109.02891	0.6
109.06557	0.2
109.10219	0.2
111.00826	0.2
113.44362	0.2
116.46259	0.1
117.07064	0.1
120.02085	0.1
121.02883	1.7
121.06483	0.1
121.10176	0.2
122.03680	0.3
123.04448	0.2
126.03129	1.0
127.03942	0.4
129.07063	0.4
131.08627	0.2
133.02876	0.2
137.02373	0.5
137.06017	0.4
139.03918	1.5
140.07072	0.2
141.06891	0.2
142.07814	0.4
143.08598	0.5
145.06543	0.4
145.10114	0.2
147.08192	0.1
149.02415	0.2
151.03897	1.4
153.01843	15.5
155.04994	0.3
155.08565	0.2
157.10156	0.7
159.08046	0.2
161.06036	0.2
163.03940	0.4
165.01862	1.2
165.05620	0.2
166.02625	0.2
167.08562	0.3
170.02055	0.2
173.06033	0.3
177.05466	0.3
179.03419	0.2
183.02901	0.2
183.04329	0.2
183.08028	0.2
185.09702	0.6
187.03963	0.2
190.06285	0.2
195.08087	0.7
200.04724	0.5
201.05470	1.3
203.03424	1.2
204.04193	0.3
213.08995	0.7
217.05023	2.3
218.05748	1.2
219.02937	0.5
228.04189	3.3
229.04982	6.6
231.02853	0.9
231.04979	0.1
231.10266	0.1
232.03752	0.2
239.03450	0.2
243.06705	0.2
245.04491	3.5
246.05260	2.6
256.03677	0.5
257.04495	4.1
259.02551	0.2
260.03134	0.7
261.07666	0.4
271.06137	0.2
273.03970	3.3
274.01685	0.2
274.04733	6.2
284.03159	0.6
285.03976	7.3
286.04517	0.2
287.01913	0.3
287.10260	0.3
288.06152	0.3
299.10037	0.2
301.03497	0.3
302.04242	20.1
303.04532	0.2
317.06583	100.0
318.06857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.05507	1.0
56.96548	1.1
59.00837	0.6
64.42575	0.6
67.05500	1.1
69.03413	0.6
69.07066	1.0
71.53756	0.7
81.07049	2.4
84.08113	0.7
91.05486	0.9
91.97350	0.6
92.02624	2.8
93.03399	2.1
95.08617	1.6
98.97561	1.5
107.08560	0.9
109.10172	1.0
119.08594	1.2
121.02862	2.1
121.07928	0.6
122.16531	0.6
126.03107	1.5
133.06471	0.7
139.03955	1.2
151.03918	1.5
153.01831	15.2
158.99727	0.8
160.54915	0.6
163.07605	0.7
165.01732	0.6
165.05443	0.8
165.09123	0.7
177.05528	0.8
201.05469	1.3
203.03398	1.7
217.04974	2.6
218.05812	1.6
228.04208	2.8
229.04948	5.7
231.02887	1.5
245.04489	2.5
246.05128	2.9
256.03455	0.8
257.04495	2.9
273.03918	3.3
274.04742	7.4
284.03232	1.0
285.03952	6.2
302.04224	23.2
308.56277	0.7
317.06561	100.0
317.21182	1.5
318.06799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
50.21028	0.1
52.89669	0.1
53.86938	0.1
59.99838	0.1
65.03945	0.5
68.99777	0.5
69.62409	0.5
81.07061	0.1
92.02057	0.1
92.02632	2.7
93.02829	0.1
93.03410	2.4
94.04175	0.2
95.01297	0.1
95.04977	0.1
97.02864	0.1
98.20722	0.1
105.07071	0.1
107.04951	0.4
109.02876	0.2
109.06493	0.1
111.00803	0.4
120.02092	0.2
121.02875	1.7
122.03652	0.3
123.04417	0.2
124.01563	0.1
124.05210	0.1
126.03138	1.0
127.03882	0.1
131.04892	0.1
133.02858	0.1
137.02319	0.5
137.05930	0.1
139.03908	1.3
144.05663	0.1
145.02892	0.1
145.06468	0.2
147.04408	0.2
149.02382	0.2
150.03091	0.2
151.03912	1.4
151.05098	0.1
152.01062	0.3
153.01836	14.7
155.04910	0.2
161.05986	0.1
163.03940	0.4
165.01855	1.1
166.02635	0.3
170.02179	0.1
172.05273	0.1
173.05975	0.3
175.03918	0.1
176.04640	0.1
177.05467	0.4
179.03468	0.2
183.02931	0.2
183.04430	0.3
187.03938	0.3
189.05539	0.1
190.02654	0.1
190.06238	0.2
191.03342	0.1
192.04161	0.1
197.83531	0.1
200.04625	0.5
201.05490	1.3
203.03409	1.4
204.04161	0.2
205.05103	0.1
211.03973	0.2
211.05875	0.1
213.05530	0.1
217.04974	2.2
218.05759	1.3
219.02910	0.5
228.04173	3.4
229.04968	6.4
231.02859	0.9
232.03751	0.2
233.04517	0.1
239.03441	0.2
243.06586	0.2
245.04483	3.1
246.05241	3.0
256.03632	0.5
257.04471	4.1
258.05078	0.1
260.03195	0.7
261.07507	0.6
271.06131	0.4
272.10019	0.1
273.03949	3.1
274.04739	6.5
284.03165	0.8
285.03946	6.9
286.04605	0.3
287.01877	0.3
288.06311	0.3
295.33145	0.1
301.03452	0.4
302.04224	19.6
303.04507	0.2
317.06564	100.0
318.06949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.1
60.33859	0.1
63.02391	0.1
65.03958	0.5
65.89822	0.1
67.01870	0.1
67.05515	0.1
68.99801	0.4
69.02908	0.1
69.03438	0.1
70.82619	0.1
71.04972	0.1
71.53600	0.1
77.44791	0.1
79.05483	0.1
81.03425	0.2
81.07069	0.3
86.09721	0.1
86.57553	0.1
88.70023	0.1
91.05507	0.2
92.02629	2.7
93.03413	2.5
93.07072	0.2
94.04201	0.1
95.01347	0.1
95.04974	0.2
95.08611	0.2
103.05462	0.2
105.06991	0.2
108.02071	0.1
109.02886	0.4
109.06535	0.1
109.10130	0.2
111.00814	0.4
111.48087	0.1
115.05470	0.1
117.06999	0.2
119.08580	0.1
120.02103	0.1
121.02881	1.9
121.06497	0.1
121.10140	0.1
122.03682	0.2
123.04465	0.2
123.11758	0.1
126.03161	1.1
129.10262	0.1
131.04939	0.4
133.02870	0.1
135.04407	0.2
137.02339	0.5
137.06001	0.3
139.03905	1.2
145.02872	0.1
145.06503	0.3
147.04379	0.2
149.02415	0.2
150.03152	0.1
151.03906	1.5
151.05095	0.1
152.01079	0.2
153.01840	15.3
155.04926	0.2
157.06538	0.2
159.04422	0.1
161.06013	0.2
163.03894	0.4
165.01842	1.1
166.02621	0.3
167.03253	0.1
170.02060	0.1
171.11711	0.1
172.05144	0.1
173.04263	0.1
173.05992	0.3
176.04710	0.1
177.01823	0.2
177.05518	0.6
179.03392	0.3
183.02885	0.4
183.04474	0.3
187.03917	0.3
189.05458	0.3
190.02669	0.1
190.06299	0.2
192.04146	0.2
200.04694	0.7
201.05498	1.7
203.03401	1.3
204.04222	0.2
211.03966	0.1
217.04953	2.3
218.05760	1.4
219.02959	0.5
228.01978	0.2
228.04193	3.2
229.04979	5.7
230.05594	0.2
231.02888	1.2
232.03726	0.2
233.04390	0.1
239.03415	0.1
243.06500	0.4
245.01884	0.1
245.02588	0.1
245.04460	3.4
246.05244	3.0
256.03726	0.5
257.04462	3.9
258.05267	0.1
259.02393	0.3
260.03210	0.7
261.07574	0.4
271.06076	0.5
273.00882	0.1
273.03940	3.3
274.04736	6.5
284.03152	0.8
285.03961	6.3
286.04633	0.1
287.01877	0.5
288.06290	0.3
299.05496	0.2
299.16580	0.2
301.03506	0.4
302.04233	20.6
303.04858	0.2
317.06570	100.0
318.06989	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01869	0.5
55.05264	0.4
55.05515	4.6
56.05043	4.2
56.57722	0.2
57.03451	0.8
57.07084	3.1
57.09283	0.2
58.02971	0.3
58.06600	0.3
59.04742	0.2
60.04530	100.0
62.16035	0.2
62.73222	0.2
64.04283	0.2
65.03949	0.4
67.05511	8.7
68.05025	0.8
69.07075	5.0
70.06596	0.8
71.05025	0.3
71.08634	0.7
71.25666	0.4
72.04529	1.6
73.02908	0.2
74.06090	2.3
79.05496	4.5
79.05966	0.2
80.05029	0.8
81.03423	0.4
81.06588	0.4
81.07064	7.2
82.06580	1.5
83.04997	0.5
83.08628	3.3
84.08155	0.2
85.10195	0.3
86.06077	0.7
87.04485	1.0
90.05569	1.6
91.05486	2.3
93.07053	3.3
94.06573	0.9
95.04997	0.5
95.08613	7.4
96.08143	0.7
97.06549	0.6
97.10177	1.7
98.06065	0.3
100.07624	0.4
102.05551	0.3
105.07026	1.4
107.08585	1.6
108.08144	0.4
109.06543	0.3
109.10157	2.8
111.08104	0.2
111.11756	0.4
112.07637	0.5
116.07121	0.4
119.08574	1.3
121.10121	1.4
122.09654	0.3
123.11702	0.9
123.49992	0.2
125.13283	0.2
126.09120	0.2
133.10161	1.0
135.11688	1.0
137.13301	0.6
139.68474	0.2
147.11713	0.4
149.13297	0.4
151.14841	0.2
155.14342	0.3
161.13368	0.2
175.94699	0.2
178.45181	0.2
202.23463	0.2
212.23795	0.3
219.21190	0.3
236.23662	0.3
237.22076	0.3
245.22635	0.3
250.25388	1.5
251.23717	0.5
256.26520	0.3
262.25299	1.5
262.72565	0.2
263.23700	0.5
268.26410	0.8
280.26379	11.7
290.44028	0.2
298.27423	13.7
299.27826	0.3
316.05627	0.4
316.28485	54.1
317.28720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93703	0.2
55.05254	0.2
55.05517	0.2
58.69918	0.2
60.44779	0.1
65.03941	0.5
67.05515	0.2
68.99796	0.4
69.03434	0.3
70.06593	0.3
71.04979	0.2
71.52026	0.2
72.08150	0.2
79.05510	0.2
81.03449	0.2
81.07061	0.5
85.02892	0.2
85.06563	0.4
91.05465	0.4
92.02631	2.5
93.03413	2.3
93.07050	0.3
94.04211	0.2
95.04956	0.3
95.08582	0.4
97.02886	0.3
105.06997	0.2
107.08607	0.4
109.02897	0.4
109.10144	0.2
111.00792	0.4
117.07057	0.2
120.08105	0.2
121.02885	1.8
122.03728	0.3
122.32703	0.2
123.04423	0.2
124.05244	0.2
124.07539	0.2
126.03142	1.1
131.04913	0.3
133.02850	0.3
135.04375	0.2
137.02371	0.7
137.05980	0.9
137.13226	0.2
139.03947	0.9
143.08621	0.2
151.03917	1.4
151.05014	0.3
152.01065	0.2
152.07137	0.2
153.01846	14.4
155.04948	0.2
161.05931	0.3
163.03947	0.3
165.01828	1.1
166.02658	0.2
170.02068	0.2
172.05150	0.2
173.06067	0.2
177.05481	0.8
179.03435	0.3
183.02954	0.2
183.04413	0.3
190.06277	0.2
200.04662	0.6
201.05487	1.7
203.03407	1.3
217.04988	2.6
218.05745	1.1
219.02907	0.5
226.46596	0.2
228.04216	3.2
229.04977	4.2
231.02875	1.1
232.03835	0.2
243.06483	0.4
245.04466	3.1
246.05287	3.1
256.03693	0.4
257.04483	3.2
260.03217	0.6
261.07605	0.5
271.06024	0.6
273.03934	3.2
274.04749	6.6
284.03217	0.9
285.03970	5.4
287.01923	0.3
287.10266	0.3
288.06296	0.2
299.05402	0.2
301.03577	0.2
302.04242	20.3
317.06583	100.0
318.06918	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20955	0.9
51.65233	0.8
55.05510	1.5
55.12093	0.9
56.48359	0.9
67.05505	1.4
68.05020	1.4
69.07074	3.5
70.06597	27.9
71.52739	1.1
71.53128	1.0
72.08146	1.1
81.07066	23.8
82.06615	0.9
91.05497	3.1
92.06297	0.9
93.07047	1.8
93.22475	0.8
94.18048	0.8
95.04960	1.5
95.08607	1.9
96.08143	3.9
100.07618	2.0
105.07046	8.5
107.08594	2.0
109.10200	0.7
114.05522	3.7
116.07092	1.7
117.07028	8.5
119.08594	4.9
120.08095	0.9
122.09633	1.2
128.07094	4.5
131.08540	3.8
132.09369	15.1
133.10152	29.9
134.10976	1.0
135.04431	57.2
140.07132	2.3
141.07841	2.0
146.09671	1.6
150.06808	1.8
151.03857	1.2
152.07072	1.3
160.11230	3.1
165.09134	3.5
166.08569	0.8
168.10257	2.4
174.12732	1.7
178.08640	6.4
182.11740	0.9
186.12749	4.5
202.15926	22.5
206.11974	1.1
226.19508	0.8
229.24069	0.9
232.13339	31.2
245.19145	1.0
246.14925	4.6
247.15707	11.1
254.25008	0.8
301.66208	1.0
316.05417	3.4
316.15399	3.9
316.22742	100.0
316.28625	3.5
317.06528	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	316.2849
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05515	4.5
56.05035	4.4
57.02460	0.6
57.07078	1.4
58.02958	0.6
60.04530	100.0
60.28564	0.6
65.03941	0.6
67.05505	9.6
67.05838	0.9
68.05038	0.7
69.07072	4.2
70.06590	1.3
71.08640	1.0
71.27714	1.2
72.04523	2.6
74.06084	2.4
79.05492	3.5
80.05022	1.5
81.07064	10.7
82.06586	1.6
83.08631	4.6
84.96054	0.6
86.06100	0.8
88.13487	0.7
90.05573	1.2
90.39587	0.6
91.05491	2.8
93.07052	3.4
93.74526	0.7
94.06587	0.8
95.04967	0.7
95.08617	9.4
97.06557	0.6
97.10169	1.3
98.06112	0.7
105.07043	1.3
105.38482	0.7
107.08622	2.3
107.09766	0.6
109.10159	3.4
111.08091	0.8
112.58402	0.6
116.07069	0.6
117.07021	1.7
119.08609	1.8
121.10169	2.5
123.11720	1.3
123.64487	0.6
135.11681	1.2
137.13300	0.8
145.06485	6.5
146.06828	7.6
147.11632	0.7
149.13176	0.7
185.09715	0.8
199.16055	0.6
250.25323	1.7
262.25339	1.3
263.23648	1.0
268.26413	1.0
280.26395	13.6
298.27426	13.1
316.28485	51.4
317.28632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81099	0.5
55.05524	0.4
67.05497	1.2
68.05029	1.0
68.95308	0.4
69.07082	2.4
69.98659	2.0
70.06602	29.6
72.08160	0.4
80.04982	0.4
81.07070	22.8
91.05496	3.0
92.06294	0.9
93.07050	2.4
95.08604	1.6
96.08144	4.2
98.20831	0.5
100.07615	1.8
105.06406	0.6
105.07045	8.8
107.08581	1.9
108.08114	1.0
109.10197	0.6
114.05551	2.9
115.05445	0.5
116.07098	1.6
117.07030	9.6
119.08596	5.7
121.10060	0.7
122.09653	0.8
124.94810	0.4
127.06266	0.5
128.07091	4.7
131.08592	2.4
132.08260	0.6
132.09366	17.3
133.10152	32.1
134.10866	0.9
135.04445	0.9
135.11682	0.8
140.07050	2.1
141.07837	1.2
142.08685	0.5
143.08563	0.6
144.32417	0.4
145.10130	1.1
146.09659	1.3
147.11623	0.5
148.11284	0.4
151.06284	0.6
152.07094	2.2
153.05467	1.5
154.08609	0.7
158.09645	0.4
159.11757	0.6
160.11237	4.0
164.07036	0.5
166.08690	0.8
168.10170	2.5
171.11690	0.5
172.11230	0.8
174.12808	1.5
175.03908	0.8
178.08652	5.6
182.11819	0.5
184.11244	0.7
186.12796	4.6
188.14229	0.4
192.10164	0.9
201.16512	0.4
202.15935	23.5
204.10161	0.5
206.11815	1.3
209.10338	0.7
222.14948	0.5
231.02910	1.9
232.13358	31.5
233.04530	2.0
246.14919	5.3
247.15715	12.5
248.16467	0.7
301.43561	0.4
316.19171	7.9
316.22739	100.0
317.06500	0.8
317.23068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2275
Annotation	Bremazocine
Peak:m/z	Relative Intensity
55.05527	1.3
57.07094	0.3
58.69921	0.2
66.03038	0.3
67.05494	1.3
68.05043	1.6
69.07071	2.4
69.16773	0.3
70.06597	8.1
70.30486	0.6
70.30889	0.5
71.04984	0.3
74.02428	0.4
81.07067	3.3
83.08611	0.6
91.05483	1.9
93.07041	2.2
94.06593	0.3
95.08614	4.9
96.08129	1.0
97.06524	0.6
100.07626	4.6
105.07040	17.5
107.08601	3.1
108.08128	1.3
109.10177	2.0
114.05545	2.6
114.09207	0.4
116.06332	0.3
116.07110	0.8
117.06330	0.2
117.06977	1.1
119.08594	9.9
120.08076	0.3
121.10171	1.6
122.09692	1.6
123.10406	0.3
123.11691	0.3
128.07091	5.5
129.06960	0.2
130.07828	0.4
131.08585	2.7
133.10133	5.7
134.09648	0.4
135.11716	0.4
137.13292	0.3
140.07039	0.6
140.10727	0.5
142.07608	0.3
142.08655	4.0
144.08113	0.3
144.09259	0.4
145.10133	7.0
146.10757	0.3
147.11707	3.9
148.11227	0.6
154.08655	3.1
157.10168	0.5
159.11719	3.5
160.11224	0.3
160.12509	0.3
161.13234	0.7
164.07120	0.4
168.10216	16.3
171.11771	0.5
173.13292	1.9
175.14841	9.2
178.08658	3.3
180.10226	0.7
182.11784	0.9
186.14127	0.3
187.14928	0.5
188.14360	0.8
192.10240	0.7
193.10974	0.5
194.11839	1.2
200.14442	0.3
201.16408	5.9
202.15926	1.9
203.17979	1.4
214.15979	0.6
218.11729	0.3
232.13374	1.0
233.14140	0.5
234.14830	0.8
246.14857	0.7
247.15602	1.8
256.20615	0.9
260.16519	1.6
261.17270	0.3
270.22205	0.4
272.16336	0.4
286.18045	6.9
301.20453	3.7
316.22736	100.0
317.23157	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2273
Annotation	Bremazocine
Peak:m/z	Relative Intensity
51.71781	0.2
53.03944	0.2
55.01862	0.3
55.05517	1.4
57.07061	0.4
58.06594	0.2
65.03958	0.2
67.05506	1.4
68.05035	1.8
69.07078	2.5
70.02728	0.6
70.06595	8.2
71.04977	0.3
79.08648	0.1
80.05013	0.3
81.07063	4.0
82.06564	0.3
83.08627	0.8
84.08155	0.2
91.05485	2.7
93.06490	0.2
93.07054	2.3
94.06554	0.2
95.04955	0.3
95.07391	0.2
95.08611	5.1
96.08144	1.2
98.06046	0.3
100.06989	0.3
100.07623	4.9
103.05438	0.2
105.07037	18.0
107.04962	0.2
107.08600	2.8
108.08120	1.9
109.06520	0.4
109.10168	1.9
114.05537	1.9
114.09187	0.3
115.05401	0.2
116.07082	0.6
117.07029	1.5
119.08588	10.9
120.08102	0.4
121.10146	1.3
122.09676	2.1
123.08067	0.5
123.10442	0.3
123.11749	0.3
124.08836	0.5
126.09165	0.2
128.06270	0.2
128.07083	5.9
129.07010	0.2
130.07785	0.6
131.04942	0.2
131.08578	3.5
132.08124	0.2
133.10136	6.8
134.09644	0.4
135.11707	0.4
137.13289	0.4
140.07062	0.4
140.10693	0.5
142.07585	0.2
142.08641	4.0
143.08575	0.4
144.09283	0.2
145.10133	6.8
146.09685	0.2
147.10475	0.3
147.11700	3.9
148.11168	0.8
149.92491	0.2
151.06296	0.2
152.07086	0.2
154.08638	3.3
157.10146	0.4
158.10904	0.2
159.11696	4.0
160.11316	0.2
160.12436	0.8
161.13261	1.1
164.07114	0.4
165.12755	0.2
166.08661	0.2
168.10213	17.0
171.11691	0.6
172.11240	0.3
173.13258	1.5
174.12732	0.2
174.33119	0.2
175.14838	10.3
177.16460	0.2
178.08646	3.4
180.10191	0.7
182.11774	0.5
186.12669	0.3
186.14059	0.4
187.14899	0.4
188.14348	0.6
192.10135	0.8
193.10980	0.5
194.11804	1.7
200.14439	0.4
201.16391	5.4
202.15894	1.7
203.17946	1.0
214.15909	0.2
216.17558	0.2
217.29005	0.2
218.11757	0.2
220.13339	0.2
228.17522	0.4
230.11879	0.3
232.13348	1.2
233.14076	0.6
234.14888	0.8
240.17537	0.2
244.13264	0.4
245.14087	0.2
246.14969	0.9
247.15662	1.5
256.20551	1.3
258.14746	0.2
259.15729	0.2
260.16495	2.2
261.17371	0.3
270.22137	0.4
272.16415	0.4
273.17233	0.2
274.18164	0.2
286.18036	8.3
293.49963	0.2
301.20358	3.5
311.06464	0.2
316.22723	100.0
317.23044	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
53.73676	0.4
55.05500	1.3
56.70491	0.3
57.07071	0.4
67.05505	1.7
68.05023	1.7
69.07073	2.5
70.06599	8.3
70.10032	0.6
70.10443	1.0
72.08139	0.4
74.02446	0.4
81.07069	3.4
83.08630	0.6
84.08151	0.4
91.05490	2.8
93.07048	2.2
94.06528	0.3
95.07369	0.4
95.08611	5.3
96.08119	1.0
97.06485	0.4
100.07628	4.6
105.07043	15.5
107.08615	2.7
108.08126	1.7
109.10165	1.7
114.05560	1.9
116.07124	0.7
117.07040	1.0
119.08591	10.6
120.08119	0.4
121.10146	1.4
122.09686	1.8
128.07085	5.3
129.06976	0.5
131.08598	2.8
133.10135	6.2
134.09663	0.5
135.11739	0.5
137.13287	0.5
140.07063	0.5
140.10640	0.5
142.08644	3.8
145.10136	6.1
147.11707	3.5
148.11201	0.9
154.08656	3.4
159.11700	3.9
160.11290	0.5
161.13339	0.5
168.10228	13.9
171.11662	0.6
173.13263	1.5
175.14845	9.8
178.08649	2.5
180.10239	0.6
186.14088	0.6
188.14331	0.4
192.10205	0.6
193.11011	0.5
194.11792	1.5
200.14281	0.4
201.16396	5.7
202.15944	1.3
203.18066	1.0
214.16003	0.4
228.17575	0.4
230.11528	0.4
232.13327	1.2
234.15007	0.6
242.19180	0.3
246.14948	1.1
247.15700	1.2
254.21211	0.6
256.20688	1.0
260.16559	1.5
272.16541	0.4
286.18036	8.3
300.12476	0.3
301.20361	2.9
316.22739	100.0
317.23016	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2235
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
55.05518	1.8
55.73719	0.3
56.05018	0.6
58.06602	0.6
60.04527	1.7
61.29406	0.3
67.05505	0.4
69.07071	5.9
70.06216	0.4
70.06602	6.7
70.38014	1.0
72.08163	21.2
81.07057	0.7
82.06599	0.4
84.04507	0.6
84.08157	2.0
85.02911	1.5
86.09712	100.0
87.05604	1.1
91.05500	0.9
107.05005	0.3
108.08131	3.2
109.06573	0.3
110.07199	0.5
116.07106	16.4
120.08067	0.4
124.07626	2.3
125.77986	0.3
126.99950	0.3
127.03939	0.4
127.27147	0.3
128.10748	0.9
129.10272	1.0
136.07570	2.0
137.06026	1.0
137.08406	0.5
138.06354	0.4
138.09135	0.4
154.08638	15.5
165.05489	0.5
165.06773	0.4
170.06354	1.5
171.14954	7.0
173.12878	6.9
190.08809	0.4
199.14420	4.9
199.18074	27.6
201.12421	2.1
203.13940	8.0
216.68596	0.3
217.15622	0.6
227.17557	17.2
228.16025	0.4
284.10196	0.4
287.10303	0.4
316.14468	1.0
316.17914	1.4
316.22369	1.1
317.12064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	18.5
56.96547	6.7
59.05008	36.5
60.49471	5.1
67.05506	26.5
69.07075	7.3
70.06587	10.9
71.52320	7.1
73.06553	11.6
79.05488	11.5
81.07060	27.0
85.06515	8.2
91.05495	33.9
93.07058	9.8
95.08613	28.3
98.97623	7.6
100.07610	9.0
105.07039	46.9
107.04961	10.7
107.08596	14.8
108.05746	23.6
109.06532	24.8
109.10149	48.8
109.19208	4.6
112.28881	4.7
113.93158	5.1
119.04945	6.1
119.08573	15.9
121.06462	6.5
121.10134	7.2
123.08081	71.4
124.08028	8.8
124.08861	100.0
131.04939	31.2
133.10114	38.1
137.09610	10.7
145.06578	5.5
148.04756	8.2
151.11148	8.5
155.04921	8.0
155.08524	9.3
159.08081	6.4
165.07031	6.4
165.12782	48.3
166.13539	9.8
168.10217	11.3
169.06496	8.7
170.07265	68.5
175.03957	36.6
176.04266	40.0
176.07059	16.1
183.08044	25.4
184.08888	10.4
185.09631	8.3
195.99197	5.5
197.09590	10.7
202.08662	17.9
209.09703	12.9
210.09071	9.0
211.09930	15.7
226.13525	12.3
227.44574	5.2
228.10262	21.8
230.11714	9.2
239.14320	19.2
251.14258	9.1
254.24895	7.8
260.12848	72.2
271.16913	10.4
283.16946	8.1
284.16522	34.8
298.15207	5.1
316.16089	12.0
316.19067	68.7
316.22723	66.8
316.28561	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	316.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.5
56.05019	4.7
57.07065	5.0
60.04530	100.0
67.05511	8.2
69.07072	9.0
69.75758	7.2
70.06585	2.3
71.08630	1.9
72.04488	2.2
74.06068	1.7
79.05484	3.3
81.07058	9.4
82.43649	1.2
83.08611	4.1
87.04459	2.2
88.07634	2.9
90.05566	2.1
91.05482	3.9
93.07047	6.3
94.06546	1.5
95.04961	1.8
95.08607	8.9
97.10156	2.1
98.20843	1.5
106.08665	3.9
107.08585	3.7
109.10146	2.9
130.66653	1.3
133.10114	1.1
135.11754	1.9
147.04448	3.0
149.05977	2.0
156.83032	1.3
162.05563	1.5
203.03400	22.8
235.95851	1.1
250.25354	1.8
257.15491	1.9
268.26270	1.4
271.09586	2.7
280.26355	14.5
298.27472	13.9
315.01349	1.2
316.05618	2.1
316.08887	2.5
316.28436	64.9
316.32101	16.0
319.61902	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	7.5
56.96598	4.0
59.05001	15.5
62.88347	3.8
67.05511	21.7
69.07078	7.2
70.06581	14.0
71.52304	5.6
72.04538	8.4
73.06557	7.2
79.05474	8.1
81.07059	21.4
81.28567	3.4
83.04958	4.1
85.06567	5.9
91.05485	27.6
93.07053	17.4
95.05015	4.5
95.08603	17.7
97.06507	5.3
100.07623	5.0
105.07045	41.9
107.04948	12.6
107.08609	15.4
108.05743	26.5
109.06525	23.2
109.10178	32.2
117.07016	5.6
119.04945	4.3
119.08576	18.8
121.06492	7.6
121.10147	5.6
121.75835	3.5
123.08084	69.8
124.08864	100.0
128.07120	5.6
129.70296	4.1
131.04938	23.6
131.08589	5.4
133.10126	34.1
137.09624	12.4
145.10155	7.5
151.11194	13.2
159.08115	4.1
164.07094	12.2
165.12770	41.0
166.13570	7.4
168.10239	14.8
169.06390	4.0
170.07298	24.1
175.03970	18.9
175.14861	6.7
176.04288	12.7
176.07118	17.7
178.08670	9.8
183.08035	15.5
184.08934	4.8
188.07158	8.5
194.11803	6.4
197.09633	13.1
209.09576	5.2
210.09212	5.2
211.09827	9.4
216.10207	4.5
225.13127	3.7
228.10202	6.6
230.11768	6.8
239.14404	9.7
242.11708	7.9
244.13412	5.8
251.14314	6.1
257.15359	8.1
260.12869	32.5
260.15384	4.3
260.16727	5.6
271.16916	11.1
284.16531	27.4
286.17941	4.2
316.15927	7.5
316.19092	65.7
316.22760	88.6
316.28525	15.3
330.71942	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	316.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82635	0.2
55.05513	1.5
58.06591	0.3
59.66629	0.2
61.02910	0.2
69.03419	0.9
69.07072	0.3
69.36700	1.6
70.06595	1.2
72.08160	2.7
79.05476	0.4
81.03424	0.5
81.07081	1.2
81.07460	0.2
82.06580	0.3
83.08625	0.4
84.08160	0.6
85.02911	0.7
86.09716	2.1
91.05489	0.5
93.07090	0.2
95.08562	0.2
96.08166	0.3
97.02917	0.4
97.05273	0.6
98.06047	0.6
98.09711	0.4
106.05045	0.6
107.04973	0.3
108.08087	0.6
109.06533	1.3
110.06047	0.6
111.06831	0.5
119.08549	0.3
121.46450	0.2
124.07612	1.3
125.08376	0.3
126.09164	1.2
137.05977	0.3
138.05536	0.2
138.09164	0.8
139.06305	1.0
154.08644	100.0
155.08978	0.5
165.05545	0.3
185.16571	0.5
193.12289	0.3
208.13358	0.3
211.13301	0.9
213.16058	0.3
226.14523	0.4
228.15936	0.5
256.06952	0.5
290.29468	0.2
293.37637	0.2
298.20175	0.5
316.08865	0.5
316.14133	1.7
316.25870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01871	1.4
55.05513	5.1
55.54297	1.0
58.06625	0.8
58.89852	0.8
65.03917	1.1
67.05520	6.9
69.03413	0.9
69.07075	4.1
69.58116	0.8
70.04230	1.4
70.04617	2.9
79.05502	5.7
81.07066	14.6
81.60412	0.7
83.05000	2.2
83.08610	2.8
87.04491	1.0
87.95567	0.8
89.55009	0.7
91.05493	9.2
93.07054	17.8
95.04956	1.5
95.08612	10.1
97.10183	0.9
101.06030	1.7
103.05458	2.3
105.07038	14.4
107.04951	1.4
107.08603	17.7
109.10159	5.8
111.04450	2.9
115.05460	1.5
117.07022	5.0
118.04158	1.1
119.04916	0.8
119.08596	8.5
121.02909	0.9
121.06490	1.0
121.10155	4.2
122.03605	1.0
126.61801	0.9
129.07042	1.9
131.04961	5.6
131.08571	6.3
132.05710	1.1
133.06535	6.0
133.10153	5.8
135.04431	3.2
135.11703	12.5
137.05989	7.0
141.06949	1.2
143.08580	4.0
145.06497	2.9
145.10152	5.6
147.11700	8.9
149.13199	1.7
151.07619	0.9
153.09193	1.0
155.08568	1.6
157.06554	1.0
157.10216	4.4
159.08075	1.1
159.11711	10.7
161.05986	9.2
161.13272	11.5
163.07494	2.0
165.07042	1.0
167.07047	6.4
167.08490	1.5
168.00551	3.6
169.10133	3.9
171.08086	0.9
171.11719	2.9
173.05933	1.9
173.09668	1.4
173.13289	3.3
174.06761	1.4
175.07590	2.3
175.14839	2.8
181.01248	1.0
181.10152	1.3
183.03006	1.4
183.08087	1.7
183.11757	2.2
185.13199	1.7
186.01599	1.5
187.11220	6.4
187.14824	2.1
187.32712	1.3
189.09105	1.5
191.07088	1.2
193.08623	5.3
195.08081	1.4
195.11653	1.7
197.13330	4.1
199.07646	1.0
199.14870	3.0
201.09132	1.4
201.12817	1.3
203.10753	2.1
205.12122	1.2
209.05991	3.6
209.09740	1.1
209.13326	1.4
211.14838	1.9
215.10779	1.8
215.14359	2.6
215.17995	1.7
223.14809	3.5
227.10699	1.7
227.17995	1.0
229.12196	1.3
233.11812	1.2
237.16446	1.8
241.12267	1.0
251.17868	1.3
253.19548	2.1
255.21106	1.4
257.04465	3.5
269.22543	1.5
271.06049	1.4
272.06891	4.9
279.21051	12.7
283.09518	1.0
285.03873	1.3
285.19028	0.8
287.05463	2.8
297.18637	1.3
297.22095	11.6
300.06317	57.7
301.06647	1.3
315.05042	9.6
315.08609	100.0
315.19571	6.8
315.23181	20.3
316.08896	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	315.2321
Annotation	Longithorone J
Peak:m/z	Relative Intensity
55.05505	4.6
58.06589	9.4
59.05991	3.7
59.99369	3.7
67.05509	19.2
69.07066	5.8
69.62986	27.0
70.06602	6.6
71.04985	12.5
79.05487	13.2
81.07065	54.3
83.08588	5.8
85.06552	41.9
91.05461	19.5
93.07039	19.1
93.29431	4.2
95.08619	27.1
97.06513	4.2
105.07030	29.5
107.08599	17.8
109.10156	15.7
117.07006	14.2
119.08592	18.7
121.10169	13.5
123.08139	5.5
129.07043	7.6
131.08575	25.8
133.10164	20.5
135.04411	6.6
135.11746	4.4
136.95566	3.8
142.07767	14.5
143.08575	20.3
145.06485	6.1
145.10153	34.3
147.04385	4.4
147.11691	15.6
151.03914	4.2
155.08588	22.2
157.10138	74.7
159.11716	43.5
161.05975	19.8
161.13336	8.0
169.10118	11.3
171.11714	16.3
173.13264	13.1
183.11723	13.1
185.13271	12.6
189.62050	4.8
191.14432	5.9
195.11752	10.7
197.13225	20.8
199.14862	10.4
208.12500	6.2
209.13246	21.3
211.14853	9.8
211.38905	4.0
212.20015	5.7
213.16374	8.3
215.14249	10.2
223.07504	5.3
223.14816	14.1
227.17882	4.0
229.15842	4.9
237.16367	11.5
239.18008	10.2
240.56970	3.9
253.19612	23.0
255.10188	6.0
255.17435	7.3
255.21042	7.7
269.19031	5.3
279.21060	44.2
283.09598	21.9
297.22131	100.0
315.01553	4.7
315.04901	18.3
315.08499	14.1
315.12274	12.9
315.19809	5.4
315.23230	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
53.37300	1.1
55.05518	6.2
57.37478	1.1
58.06576	1.6
62.43548	1.2
67.05507	9.1
69.03416	1.4
69.07059	5.9
71.53686	2.0
79.05489	10.6
80.27151	1.2
81.06658	1.5
81.07064	17.8
83.08615	3.5
91.05492	17.0
92.03226	1.2
93.07052	34.9
95.04974	2.6
95.08622	14.5
96.34636	1.5
103.05471	8.0
105.04530	1.3
105.07037	32.3
107.04935	5.0
107.07891	1.8
107.08601	32.1
109.06483	2.6
109.10164	11.7
111.04443	3.3
115.05463	6.8
117.07016	4.2
118.04143	1.6
119.04963	3.2
119.08588	11.1
121.02850	1.8
121.06506	1.6
121.10147	6.7
123.04449	2.0
123.11681	2.3
128.06180	2.1
129.07010	3.6
131.04939	13.2
131.08574	7.2
133.06508	18.2
133.10097	5.9
135.04402	6.5
135.11707	23.6
137.05981	14.0
142.07774	3.0
143.08568	3.8
145.06522	6.1
145.10170	5.9
147.04425	1.6
147.11684	8.4
149.13278	3.2
150.06754	1.5
151.07515	4.8
154.05222	1.5
155.08545	3.5
157.06450	2.1
157.10103	3.8
158.07269	1.4
159.08066	3.9
159.11690	11.8
161.05991	34.6
161.13289	12.2
163.07521	5.7
163.69498	1.3
166.07808	1.4
167.07053	27.0
168.00522	3.4
169.10120	4.4
171.08020	2.0
171.11679	2.2
173.06001	2.1
173.09550	1.9
173.13315	2.3
174.06718	2.5
175.07520	2.6
175.14818	1.9
177.09094	2.8
181.06465	2.0
181.08594	1.8
181.10051	1.9
183.08029	2.3
185.09610	2.4
185.13258	3.3
187.07507	3.4
187.11195	7.8
187.14787	1.7
189.09126	4.0
191.06908	2.8
193.08620	19.4
195.07935	2.7
195.11731	1.8
197.13322	3.6
199.07634	2.2
199.14850	1.6
201.09109	3.9
203.10654	2.2
207.10260	1.5
209.05986	4.0
209.09602	4.7
211.14703	1.4
215.10771	1.9
215.14314	2.4
217.08543	1.7
217.12250	1.9
219.13644	1.5
219.17569	1.3
223.11057	1.3
223.14761	2.1
227.10654	3.8
229.12344	3.0
231.10045	1.6
233.11664	1.9
237.16315	2.4
241.12241	3.3
241.19373	1.4
251.17844	1.5
254.06001	1.8
255.21133	2.1
257.04330	2.9
259.13162	3.1
271.06171	1.7
272.06830	5.5
277.07907	5.1
279.21066	10.8
283.16803	1.7
285.03857	2.4
297.15085	1.5
297.18463	3.7
297.22070	9.3
299.05692	2.4
300.06296	61.9
315.04962	14.0
315.08575	100.0
315.19470	17.8
315.23187	15.7
324.06332	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1957
Annotation	3-Hydroxy-2-(3-hydroxy-3-methylbutyl)-5-methoxybibenzyl
Peak:m/z	Relative Intensity
55.05511	2.7
57.07072	1.3
63.00438	1.0
67.05500	3.3
69.07067	6.5
69.59868	6.3
73.59106	1.1
79.05512	2.3
81.07063	6.6
83.02420	1.1
83.08612	2.0
93.07039	1.8
95.08601	3.8
105.07032	2.4
107.08582	2.1
109.10148	4.1
117.07023	1.2
119.08588	1.4
121.10131	1.3
123.11705	1.9
128.06184	1.7
129.06996	3.2
131.08549	1.9
133.06474	1.4
137.06032	1.6
141.06981	2.5
142.07828	1.3
143.04863	1.2
143.08531	2.8
144.05643	1.3
145.06488	3.5
152.06128	1.4
153.06998	2.7
154.07668	1.3
155.08591	4.1
157.06482	3.4
157.10152	1.4
158.07222	1.9
159.08051	3.0
161.06059	1.8
165.06943	6.3
166.07744	4.8
167.07138	2.1
167.08548	4.4
168.09454	1.3
169.06487	1.7
169.10146	3.5
171.08040	6.0
172.08864	1.6
173.09650	2.9
175.07564	3.4
179.08588	3.8
180.05743	2.0
180.09415	2.4
181.06488	2.9
181.10120	9.6
183.08064	5.6
183.11818	1.5
184.08812	2.3
185.09557	7.1
187.07565	7.5
189.09137	5.6
191.03365	2.1
191.10683	1.3
193.08568	3.1
193.10173	2.5
194.07338	3.3
195.08037	10.1
195.11734	5.5
196.08885	1.3
197.09612	7.5
197.13481	1.1
198.10414	3.1
199.07567	2.1
199.11253	3.6
200.08316	2.0
201.09132	8.5
203.10664	2.8
205.03500	1.7
205.08434	1.0
205.12445	1.1
206.04216	1.2
207.08182	1.1
207.11794	1.2
208.05194	10.9
208.08800	2.8
209.09625	53.5
210.10175	2.4
211.07570	2.1
211.11214	3.6
213.09152	6.3
213.12752	3.8
214.09863	1.2
215.10680	7.0
217.12317	1.4
219.10204	3.9
221.09720	1.6
221.11674	1.3
222.10426	2.5
223.11200	13.4
223.14676	1.3
225.09106	3.0
225.12825	2.8
226.09970	2.5
227.10654	9.9
227.14226	1.9
229.12262	4.7
231.10132	2.1
231.13802	1.8
233.11620	1.1
235.11186	1.9
236.04929	2.5
236.12103	1.8
237.12769	2.8
237.16397	3.1
239.14236	1.0
240.11595	1.9
241.12234	17.0
242.13037	1.6
245.11781	2.3
250.13538	3.5
253.12251	1.3
253.15886	1.1
254.06012	3.7
255.13806	6.3
255.17584	2.9
257.04678	1.0
257.15353	3.3
259.13321	6.4
265.15857	15.9
267.13858	2.0
268.03558	1.2
268.14780	1.3
269.08087	4.4
269.18912	1.8
272.06982	2.4
272.13986	1.2
273.14886	2.1
277.07932	5.4
282.16083	1.5
283.16956	11.0
287.19934	4.7
295.09097	1.4
297.18497	31.4
300.06400	1.5
300.09448	1.8
306.08273	1.3
315.08710	17.1
315.19559	100.0
315.34518	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	315.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91458	4.0
55.01880	9.2
57.07076	4.7
63.11046	4.5
64.69312	4.8
69.07056	10.7
70.85159	6.9
70.85490	8.7
77.13530	4.7
81.07051	17.8
91.05477	15.4
93.07014	5.8
95.08591	5.2
102.65990	5.3
105.07021	10.0
107.08572	4.6
119.04946	21.2
133.06458	6.5
145.06538	4.5
147.04413	35.1
161.05988	31.6
174.56721	4.4
179.07065	100.0
315.04938	9.9
315.08301	9.9
315.14340	10.7
315.19370	10.7
315.27960	12.0
315.34341	6.3
337.68488	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	315.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.8
57.07077	0.5
60.04519	0.7
66.84753	0.4
67.05523	1.9
69.07064	0.5
69.85771	0.3
70.87735	0.9
72.08145	0.6
79.05478	0.8
81.07064	7.0
83.08620	0.4
91.05489	2.2
91.39385	0.4
93.07049	2.0
95.04962	0.6
95.08618	4.7
105.03405	0.6
105.06988	0.7
107.08587	1.4
109.06533	0.4
109.10164	2.4
115.04676	0.7
115.05458	6.4
115.45944	0.4
117.07027	14.0
119.08570	0.5
123.11730	3.8
129.06960	0.5
133.06514	0.5
135.04424	1.1
137.06085	0.4
145.06496	100.0
147.08058	1.9
151.11223	2.4
157.06476	1.4
159.08041	1.7
161.05989	0.7
171.08023	2.2
173.09665	0.7
181.53329	0.4
183.08153	0.4
185.09628	7.7
185.11256	0.5
199.11237	0.5
255.17662	0.5
265.15979	1.2
279.25131	0.5
283.16949	3.2
287.05490	0.7
297.26093	0.5
315.05029	2.8
315.19577	7.3
316.28320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.4
55.01868	16.9
55.05518	46.3
57.03445	26.0
58.06598	14.8
59.05008	6.3
61.02932	9.9
65.03934	4.2
65.04687	3.5
67.05497	16.9
67.05803	3.6
69.03438	38.0
69.07085	21.1
69.82430	10.7
69.82841	9.2
70.06611	9.0
71.01337	10.1
71.05000	60.1
72.08155	12.1
73.02922	18.3
73.80160	3.3
75.04481	4.1
79.05502	32.4
80.05852	3.2
81.03419	16.5
81.07054	41.3
83.04972	10.2
83.08627	5.8
84.92259	3.6
85.02915	74.2
86.09717	8.3
87.04475	7.0
91.05490	53.3
93.07051	62.9
94.07471	4.3
95.04985	19.9
95.08606	23.2
96.86313	4.3
97.02898	19.9
97.06548	9.0
98.20793	3.8
99.04469	5.1
103.03944	14.1
103.05473	5.1
105.07039	64.1
107.04963	10.8
107.08603	74.5
107.62074	3.5
109.02905	7.2
109.06528	49.6
109.10165	36.3
111.04487	9.9
111.08094	7.4
115.03981	21.1
117.07016	19.3
119.05025	4.2
119.07304	10.1
119.07748	4.3
119.08591	70.3
119.09386	7.4
121.06498	19.9
121.10163	14.8
122.06786	4.3
123.04431	7.7
123.08050	25.8
123.11712	5.8
125.09679	3.5
125.13305	4.5
127.03915	12.6
127.11216	10.7
128.06244	5.0
129.05478	4.6
129.07022	7.3
130.07747	5.7
131.08556	27.6
133.04985	33.3
133.06488	12.9
133.10124	10.5
135.04443	5.0
135.08035	11.3
135.11723	34.5
137.05972	5.5
137.09625	12.2
137.13362	5.6
139.03880	5.2
142.07776	4.8
143.08549	15.5
145.06519	8.0
145.10153	23.6
147.08066	31.4
147.11678	14.9
149.09625	11.6
149.13364	4.4
151.07538	4.8
151.11195	10.9
153.12779	23.6
155.08603	5.4
157.10106	4.0
158.07359	5.7
159.08098	10.0
159.11699	14.8
161.09634	8.4
163.03873	8.2
163.11194	12.5
165.12773	100.0
171.11671	8.0
173.08333	4.4
173.09682	28.4
173.13289	13.4
175.07599	5.2
177.12708	33.0
181.12274	5.2
181.67979	3.9
183.11946	4.0
189.12762	15.2
191.10683	11.1
195.13844	11.5
197.13174	6.0
201.12779	7.6
207.10178	4.6
207.13774	8.9
210.03012	8.5
211.09641	6.4
219.13861	16.9
231.13803	7.0
238.09332	6.3
243.13885	6.8
261.14755	17.4
266.08951	22.8
269.13034	5.3
279.15967	13.3
283.09271	9.9
297.16949	15.7
298.11551	41.6
299.11185	8.2
299.20486	4.1
315.09500	4.1
315.13992	25.4
315.17947	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	315.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01876	14.5
55.05511	18.4
57.03442	16.6
58.06605	30.7
59.05010	3.5
59.06924	5.5
61.02920	9.3
65.03938	3.1
67.05504	10.7
69.03438	25.7
69.07077	15.4
69.47829	12.8
70.06599	12.5
71.01374	4.3
71.05003	34.7
72.08154	9.8
73.02901	10.6
73.28686	2.6
74.06102	2.7
77.72520	2.3
79.05490	11.0
81.03413	10.8
81.07071	21.2
83.04977	4.7
83.08624	2.5
84.04522	3.2
84.08144	12.2
85.02917	49.5
85.06545	3.6
86.09716	14.2
87.04477	4.9
91.03944	3.4
91.05482	22.9
93.07052	27.5
95.04958	8.8
95.08602	11.3
97.02908	17.0
97.06516	5.1
99.04447	5.1
103.03943	7.3
105.07035	36.9
107.04956	12.9
107.08595	28.3
109.02878	5.1
109.06553	19.9
109.10146	12.1
110.48463	2.7
111.04439	6.1
111.08091	4.2
115.03915	6.0
115.05448	3.0
117.07010	15.4
119.07302	3.0
119.08595	40.3
121.06509	9.9
121.10146	10.7
123.04423	4.3
123.08073	8.9
127.03913	4.1
128.06169	4.0
129.05492	4.7
129.06990	9.4
129.10245	8.5
131.04942	3.9
131.08585	20.2
133.04985	12.2
133.06505	5.7
133.10152	6.4
135.08037	5.5
135.11710	17.2
137.05946	7.1
137.09622	9.1
139.11153	4.2
143.08571	13.1
145.04938	3.8
145.06500	4.2
145.10144	22.0
147.08038	29.2
147.11694	5.2
149.09555	7.4
151.03937	3.5
151.07512	8.1
151.11150	7.6
152.07961	3.1
153.07401	2.7
153.12743	12.5
155.08531	7.1
157.06499	4.2
157.10156	4.9
159.08066	11.4
159.11707	6.4
161.05988	3.7
163.11197	8.4
165.09024	5.1
165.12769	37.1
167.08374	3.0
171.08054	7.2
171.11766	6.7
173.09616	23.1
173.13228	9.8
175.07603	6.8
175.11186	5.1
177.12759	12.9
179.14424	3.0
182.10706	2.9
183.08043	5.4
183.11717	4.8
189.12781	12.7
191.10652	5.5
192.09033	4.5
193.08557	3.1
193.12286	3.2
195.07788	4.0
195.13753	5.9
201.12715	4.3
203.40793	2.7
207.13803	4.3
208.08490	2.6
208.38417	2.5
219.13828	8.8
223.07335	2.9
231.13850	7.0
237.08963	4.0
238.09290	5.0
241.08894	3.0
243.13768	6.0
255.11424	3.2
261.14859	10.1
265.08585	4.9
266.08899	10.9
270.11945	3.1
279.15933	10.4
283.09424	8.2
287.14056	2.5
297.11163	3.5
297.16852	8.8
298.11475	15.5
298.14484	3.5
299.11151	46.6
300.11896	24.0
315.14078	100.0
315.17911	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.6
55.01876	4.6
55.05499	10.0
57.03436	8.7
57.07066	4.9
58.06583	2.9
61.02914	5.9
67.05502	15.4
69.03442	26.4
69.07059	9.7
69.54397	16.6
71.01346	3.9
71.05006	12.7
73.02924	7.1
79.05513	18.4
81.03415	17.1
81.07063	43.4
83.04974	7.4
84.08124	4.4
85.02915	59.1
85.06548	4.2
86.09696	4.5
87.04510	2.7
91.05486	28.5
93.06495	6.2
93.07055	96.3
95.04981	13.7
95.08611	45.3
97.02895	18.2
97.06535	6.8
99.04450	5.5
103.03946	7.6
105.07040	25.2
107.04955	10.2
107.08603	100.0
108.05305	4.9
109.02861	7.2
109.06519	10.5
109.10154	12.6
111.04471	3.0
111.08099	3.5
115.03897	3.7
117.07034	10.0
119.08587	24.7
121.06521	5.9
121.10142	7.4
123.04431	5.5
123.08088	5.9
123.11706	5.3
127.03930	8.6
129.07010	2.8
131.08549	7.7
133.04961	5.6
133.06453	3.2
133.10127	9.8
135.08029	4.2
135.11711	80.4
137.05960	3.7
137.13255	8.7
141.05518	3.4
142.07799	4.2
143.08554	8.5
145.04980	11.0
145.06544	3.4
145.10130	12.1
147.08032	7.7
147.11652	13.0
149.09622	3.0
151.11212	6.6
153.12733	24.9
157.10130	11.1
159.07953	3.5
159.11703	12.2
161.09625	4.5
161.13268	6.6
163.07658	2.8
163.11194	10.4
165.12769	34.9
167.07056	2.9
169.10074	3.6
171.11713	3.8
173.09547	3.7
175.11235	6.7
177.12753	7.8
181.12170	2.9
183.11703	3.3
189.12758	5.3
193.12274	5.4
195.02901	21.2
197.13246	3.3
201.12717	7.7
207.11798	2.7
215.14349	3.5
219.13806	7.3
231.13751	7.1
243.13853	5.5
249.14774	4.4
258.73660	2.9
261.14926	13.4
279.15906	17.8
297.12119	3.4
297.16974	13.8
315.04703	6.6
315.07889	6.9
315.13797	9.6
315.17926	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	315.159
Annotation	Ferulagol A
Peak:m/z	Relative Intensity
55.05507	1.1
58.06598	0.5
64.30762	0.5
67.05499	1.8
69.57857	0.6
69.75243	3.3
71.04974	1.7
79.05493	1.4
81.07066	3.4
81.42348	0.7
83.08588	0.6
85.06500	0.7
91.05491	6.7
93.07027	1.5
95.08606	1.6
97.07657	1.1
105.07039	1.6
107.08583	1.7
109.10151	3.6
117.07032	1.4
119.04935	2.4
121.10139	1.7
123.11720	4.9
129.83658	0.5
131.08559	0.7
133.06534	0.7
135.04385	0.6
135.11728	1.4
142.51967	0.5
145.06490	5.2
147.04428	16.0
153.12723	1.5
159.04422	0.9
161.06039	1.5
163.03957	0.8
175.03918	100.0
176.04243	0.9
184.07637	0.6
187.03857	0.7
189.05493	5.7
191.03329	0.9
195.08224	0.7
201.05377	1.7
203.07066	1.8
216.06715	0.6
217.08624	1.6
219.17363	0.9
229.08649	1.7
237.59286	0.7
241.08629	3.0
245.11804	7.2
255.10196	0.9
283.09772	1.0
287.05643	0.8
291.36832	0.6
297.14896	10.7
297.22174	0.9
315.04858	1.5
315.08203	1.5
315.12213	1.2
315.15985	18.3
315.19498	0.9
315.23328	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.8
53.46632	2.1
55.01867	11.2
55.05521	15.9
57.03451	11.8
57.07082	3.2
58.06607	68.3
59.06936	10.0
60.73402	2.7
61.02934	3.8
61.64668	2.4
67.05500	13.0
69.03433	21.1
69.07083	18.4
69.82685	11.3
70.02958	6.0
70.06590	8.0
71.01346	2.4
71.05007	27.5
72.08150	8.0
73.02906	6.9
79.05516	14.9
81.03413	8.3
81.07080	21.3
83.04987	5.2
83.08637	2.4
84.08149	4.6
85.02913	31.3
85.06532	8.1
87.05572	6.4
87.80048	2.5
91.05489	27.1
93.07051	49.3
95.04974	12.8
95.08616	20.6
97.02891	9.8
97.06528	6.7
98.21471	4.9
99.04469	4.8
99.08090	4.8
103.03955	6.2
103.05453	3.4
105.07049	30.0
107.04958	22.3
107.08600	29.1
107.55627	2.3
108.05297	8.0
109.06566	13.5
109.10140	11.4
111.04465	2.7
111.08092	9.4
115.03923	4.2
117.07029	7.8
119.04982	2.6
119.07316	9.6
119.08598	30.8
121.06518	11.2
121.10141	10.2
122.06907	2.4
123.08068	10.3
125.09634	3.3
128.06204	4.3
129.05460	3.4
129.07036	4.6
131.08606	11.8
133.05034	4.8
133.06197	7.2
133.10153	6.1
135.08061	5.5
135.11678	18.0
137.05972	3.2
137.09692	14.8
139.07516	4.3
139.11215	3.1
143.08563	7.2
145.06480	2.9
145.10147	11.7
147.08057	16.8
147.11639	4.9
149.09607	8.7
151.07581	4.9
151.11227	5.5
152.07956	2.9
153.04485	2.3
153.12781	23.8
159.08073	8.5
159.11656	4.2
161.09651	4.0
161.13345	3.7
163.07552	3.3
163.11203	6.1
165.09108	13.3
165.12791	26.1
166.07330	2.9
173.09645	13.5
173.13239	4.5
175.07617	4.7
177.12775	10.3
183.10194	2.9
183.11786	3.8
189.12785	7.5
191.08421	2.7
191.10661	2.8
192.08974	6.8
195.07904	4.2
195.13779	3.9
197.13324	3.0
206.06944	4.1
207.13803	2.9
208.08417	6.0
209.09338	4.6
210.09985	8.5
219.13777	4.0
220.08389	8.9
222.06789	4.2
223.07195	10.3
226.09435	3.3
231.13850	5.4
237.09000	4.7
237.59392	3.9
238.09496	16.6
240.07327	3.9
243.13800	2.9
252.12358	5.6
261.14905	7.3
265.08505	6.0
266.09039	41.1
268.06909	5.8
270.12091	7.7
272.13583	3.3
279.15805	5.4
280.19058	3.7
283.09256	19.1
297.14200	3.8
297.16855	3.1
298.11566	84.2
298.14334	3.2
299.11133	37.5
300.11859	21.3
315.14178	100.0
315.17905	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1591
Annotation	Ferulagol A
Peak:m/z	Relative Intensity
55.05497	0.6
56.20049	0.2
57.07052	0.4
58.96975	0.3
65.03926	0.3
67.05478	1.1
67.05807	0.3
69.07056	0.6
69.68433	1.6
71.05001	2.1
79.05475	0.9
81.07057	1.6
85.06542	0.3
91.05491	6.3
93.07043	1.2
95.08621	1.5
103.05459	0.8
105.07011	1.0
107.04970	0.4
107.08592	1.2
109.10159	3.8
115.05463	0.5
119.04954	3.1
119.08551	0.3
121.10143	0.9
123.11702	2.8
127.11140	0.3
131.04897	0.4
131.08527	0.3
133.06523	0.5
135.11697	1.3
137.05911	0.2
141.12747	0.3
145.06483	0.3
147.04420	13.8
151.07588	1.9
153.12737	1.3
159.04398	1.0
161.05989	0.5
161.13202	0.5
163.03922	1.0
167.07082	2.8
173.05957	0.4
175.03915	100.0
176.04289	0.5
177.05519	0.3
187.03925	0.6
187.07584	0.4
189.05490	4.8
189.09114	0.3
191.01913	0.3
191.03392	1.4
199.03944	0.3
201.05482	1.2
201.09166	0.4
203.07037	1.5
205.08746	0.3
213.05515	1.0
215.07092	0.5
216.06732	0.3
217.08598	2.2
226.08897	0.3
227.06923	0.3
229.08635	1.9
231.10127	0.4
241.08582	2.4
243.10213	0.4
245.11771	8.1
255.10329	0.6
297.14886	10.2
315.07910	0.8
315.15942	20.2
315.19370	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
69.57835	1.7
117.07069	0.3
127.00253	0.7
133.06505	2.4
134.07326	1.4
135.04454	2.5
140.01079	0.7
145.06509	0.4
161.06009	2.0
168.00565	6.8
174.06825	1.1
175.07637	0.4
181.06512	0.3
182.07301	0.7
186.01616	1.9
196.24638	0.3
198.06822	0.6
201.05534	0.5
209.05977	4.1
213.05507	0.8
229.05034	1.0
233.06534	0.3
248.06856	0.8
254.05827	1.3
257.04462	4.4
271.05988	1.3
272.06824	1.0
285.03952	1.9
299.05542	2.2
300.06311	94.8
301.06552	1.0
314.04196	0.6
315.08640	100.0
316.05829	1.4
316.09091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0865
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
55.05522	1.1
57.07084	2.5
58.06581	0.4
58.07391	0.2
62.06097	1.2
67.05494	0.7
67.46327	0.2
69.07058	0.7
69.08688	0.2
71.08639	1.1
72.08159	5.5
73.08495	0.3
81.07048	0.8
83.08633	0.5
85.10176	0.2
90.09211	0.3
91.05467	0.3
95.04977	0.5
95.08610	2.1
97.10172	0.2
109.10130	0.9
121.06512	3.6
123.00803	0.3
123.04397	0.5
123.11654	0.3
124.01558	0.5
125.05984	0.4
132.05708	0.2
135.04398	2.8
137.03448	0.2
138.03085	0.3
140.04634	0.2
148.05151	0.3
149.06007	0.3
151.03911	0.5
153.05475	2.2
156.17513	0.7
158.16096	0.2
161.06017	0.4
166.02681	0.4
167.03423	4.9
167.04794	0.4
174.18570	2.0
179.03429	1.3
183.33293	0.2
184.03648	0.2
184.20619	0.7
185.06076	0.2
197.04498	0.6
198.06728	0.3
199.07687	0.2
201.05641	0.3
202.21660	1.9
215.07059	0.4
216.07870	0.3
226.06236	1.1
227.07024	0.8
229.04965	2.0
230.05721	0.2
243.06580	3.2
244.07326	6.1
244.58952	0.2
253.05104	0.3
255.06485	0.7
257.04416	0.4
259.09570	0.4
271.06024	1.4
272.06805	11.4
278.24792	0.4
283.06104	1.1
286.08304	0.6
296.25937	3.2
296.29260	0.4
296.32892	0.3
297.26172	2.6
299.05429	0.4
300.06308	9.2
314.26736	0.5
314.34186	34.7
315.08630	100.0
315.34506	9.3
316.09018	0.7
331.37070	0.2
333.17453	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.05522	8.5
57.03429	1.6
57.07082	39.5
58.06589	3.1
60.04534	4.1
61.47499	0.8
67.05510	12.1
69.03438	1.2
69.07077	10.4
69.87617	2.1
69.88028	2.3
71.05001	5.2
71.08639	9.7
72.08148	2.0
73.02967	0.9
74.09725	78.1
79.05494	7.6
81.07063	30.4
83.04997	8.7
83.08620	5.9
85.06556	1.0
85.10189	2.0
87.04461	1.2
91.05475	1.5
93.07052	11.1
95.04974	1.0
95.08620	28.4
97.06535	6.4
97.10164	4.0
98.20823	0.9
100.07649	1.3
105.03415	1.0
105.07018	1.3
107.08620	7.1
109.06503	3.1
109.10150	4.7
116.10748	11.2
117.07012	0.9
119.08597	1.1
121.10155	8.8
123.11700	3.1
137.06012	3.3
137.13278	7.2
138.06319	2.8
141.12714	2.8
142.12276	1.7
144.10191	1.2
151.07591	0.9
155.14331	5.5
156.13855	4.3
161.13269	0.8
163.14851	6.0
168.13750	1.1
170.11772	1.6
177.16393	1.4
179.18024	3.0
181.15895	30.2
197.19040	2.6
199.16943	4.1
215.10385	0.9
223.16884	1.0
254.24870	1.1
278.24875	4.1
296.25891	40.0
298.10825	2.6
299.11423	1.7
314.14124	10.4
314.17599	1.7
314.21198	25.0
314.26910	100.0
315.23447	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2693
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
52.71314	0.6
55.05517	18.4
57.05809	0.6
57.07088	1.7
58.06621	1.0
67.05514	15.1
69.07076	4.8
70.06596	2.9
70.86337	1.3
71.08635	0.9
72.08163	94.9
79.05511	1.8
81.07062	18.1
83.08629	10.2
85.06521	0.7
85.10227	0.6
87.74479	0.6
91.05499	1.2
93.07073	2.0
95.08619	33.4
97.10168	3.3
98.06055	3.4
100.07612	1.0
102.85087	0.6
105.07031	0.8
107.08621	1.2
109.10168	17.8
114.09177	2.3
117.06989	0.7
119.08601	1.2
123.11704	3.8
133.10188	1.3
140.10735	1.5
147.11772	0.7
165.16490	3.8
177.35287	0.6
183.17467	3.9
267.23349	0.7
272.06799	0.9
278.24829	8.9
296.25888	100.0
298.10776	0.8
314.13962	2.7
314.17349	0.7
314.21072	0.7
314.26999	8.0
314.30502	1.5
314.33923	4.1
315.08600	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	314.1754
Annotation	Laurifine
Peak:m/z	Relative Intensity
58.06609	78.0
61.26314	0.5
69.19918	5.0
70.06631	0.6
70.30220	0.5
72.08170	0.9
79.05515	1.4
79.85394	0.5
85.02953	0.6
86.59330	0.5
91.05502	1.1
93.07066	1.0
94.70778	0.5
95.08575	0.6
105.07027	1.2
107.04969	28.2
115.05513	1.8
117.07028	1.4
119.04998	0.8
120.08199	0.5
121.06533	4.0
122.86595	0.6
128.07188	0.9
131.04980	1.5
133.06642	0.7
137.05992	5.0
138.05537	0.5
143.04961	3.5
145.06506	3.1
147.08144	1.3
149.05994	1.0
151.07567	10.2
152.04306	0.8
152.07118	3.0
157.07715	0.7
160.05234	0.7
162.05630	0.6
163.06430	0.8
163.07631	1.0
164.04288	0.6
165.09190	1.1
175.07602	6.2
176.07196	0.8
181.10216	0.5
183.08226	0.7
191.08688	1.1
192.10315	2.0
193.11157	0.5
194.07379	0.9
209.09601	2.8
211.11238	1.2
216.83827	0.5
219.08206	0.7
220.92758	0.5
228.07841	0.5
237.09169	4.3
239.10924	0.8
252.49843	0.5
254.09558	0.9
256.09872	0.6
269.11765	9.1
270.07693	1.4
271.13342	4.3
283.08612	2.1
284.09256	2.5
285.10147	0.9
296.12943	0.9
296.18579	1.1
297.11267	0.8
298.10776	44.6
299.11554	27.0
299.14886	1.2
314.14035	93.1
314.17715	100.0
315.14474	1.2
315.18063	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1752
Annotation	Laurifine
Peak:m/z	Relative Intensity
55.05556	0.6
58.06604	86.1
63.76044	0.5
70.06596	1.0
70.68870	1.7
71.50292	0.5
72.08163	0.8
79.05508	1.5
85.02905	0.8
90.84219	0.5
91.05489	1.1
93.07007	0.6
95.05025	0.6
107.04960	26.8
107.08628	0.7
115.05498	1.9
117.07061	0.8
117.32800	0.5
121.06516	4.0
131.04950	0.8
137.05981	3.3
143.04861	2.8
145.06516	2.9
147.08018	1.4
151.07549	2.3
160.05190	0.6
160.07585	0.6
163.07544	1.1
164.07120	0.6
175.07538	5.0
177.09145	1.3
192.10229	1.8
209.09648	1.6
211.11234	0.6
222.93462	0.5
230.67050	0.5
237.09097	4.6
238.10016	0.5
239.10678	1.2
269.11734	8.7
271.13306	2.7
296.18375	0.8
298.10825	3.7
299.11533	1.6
314.13989	7.6
314.17480	100.0
315.17758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1754
Annotation	Roefractine
Peak:m/z	Relative Intensity
53.03939	0.6
55.01883	0.4
55.05512	0.6
58.06607	17.9
67.05485	1.0
69.03435	0.9
69.07063	1.0
69.73201	1.9
70.06602	0.6
72.08141	1.4
79.05477	1.6
81.03413	0.6
81.07050	1.4
82.03754	0.5
83.04996	0.7
85.02921	0.7
86.09692	1.1
91.05506	2.6
93.07044	1.7
95.04954	1.0
95.08615	1.2
96.08975	0.7
97.02877	1.1
97.06515	1.0
98.03259	0.9
98.21488	1.0
99.04427	0.6
103.05476	0.8
105.07052	3.3
107.04968	30.5
107.08598	0.8
109.02937	0.5
109.10143	0.9
115.05480	4.7
117.07040	1.2
119.04945	0.6
119.08564	1.1
120.08932	0.4
121.02885	0.9
121.06518	39.5
124.12054	0.6
131.04950	0.7
133.06470	0.6
133.10155	0.6
135.08093	2.8
137.05998	5.3
143.04947	9.5
144.05705	1.2
145.06491	3.2
147.08051	0.7
149.05983	0.6
151.03949	2.9
151.07553	1.9
152.04288	3.3
152.07056	0.9
153.12753	0.5
159.08046	2.3
160.05188	1.3
161.06032	0.5
161.09622	0.6
163.07544	0.5
165.07050	0.6
167.08713	0.5
175.07579	8.6
177.09181	0.8
178.08647	0.6
181.06387	0.6
191.08586	1.5
192.10277	2.7
194.07254	0.9
195.08098	0.7
196.08865	0.6
198.71109	0.4
208.08890	1.2
209.09589	2.1
211.11154	1.6
219.08105	1.3
222.06697	1.1
223.07498	0.6
223.11246	2.0
235.07518	0.6
237.09119	2.8
238.48598	0.4
239.06981	0.8
239.10730	0.9
251.10666	2.8
253.08473	0.4
265.08618	2.1
268.11053	1.2
269.11789	4.8
271.13266	2.0
278.17465	1.0
278.21249	0.5
282.08853	1.0
283.13318	7.9
285.14786	0.6
296.18704	0.7
296.22241	1.2
297.11200	3.3
298.10715	2.7
299.11752	2.1
314.13953	10.1
314.17490	100.0
315.05020	1.3
315.17862	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1751
Annotation	Laurifine
Peak:m/z	Relative Intensity
53.03940	0.4
58.06604	22.9
59.41888	0.3
63.04559	0.3
63.65336	0.3
70.57774	0.6
70.58125	0.8
79.05526	0.4
91.05485	0.4
107.04962	40.7
109.51044	0.4
111.88379	0.3
115.05466	4.0
117.07027	1.2
119.04926	0.4
121.02913	0.4
121.06514	3.3
121.48698	0.3
131.04962	1.0
137.05995	3.9
143.04929	7.0
144.34746	0.3
145.06485	4.0
147.08018	1.2
149.05957	0.4
149.08409	0.5
151.07559	1.0
160.05211	0.6
162.06754	0.5
163.07611	0.5
164.10712	0.5
175.07516	3.1
176.10747	0.5
177.09155	0.8
183.08087	0.3
191.08591	1.0
192.10199	1.9
193.11044	0.7
194.07248	1.5
194.11813	1.0
195.08017	0.4
207.12740	0.4
208.08890	0.4
209.09618	3.1
211.11238	1.1
219.08119	0.7
230.32202	0.3
236.08391	0.3
237.09079	3.3
239.07062	0.5
239.10617	0.8
251.10602	0.4
254.09303	0.7
269.11758	8.6
271.13333	2.4
279.07336	0.4
314.17511	100.0
315.17880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.139
Annotation	Cepharatine B
Peak:m/z	Relative Intensity
53.03960	0.3
57.03381	0.2
58.06607	9.5
59.22252	0.2
67.05511	0.3
69.03436	0.2
69.62816	1.3
70.06610	0.3
72.08154	0.6
79.05504	0.4
81.07072	0.2
83.04988	0.4
84.08141	0.3
86.09726	0.2
91.05485	0.6
93.07035	0.3
103.05498	0.2
105.07046	1.1
107.04965	4.0
108.05756	0.4
119.08589	0.3
120.08112	0.3
121.06495	0.5
123.84473	0.2
131.04930	0.4
133.06523	0.3
136.05267	0.5
137.05981	1.5
138.05524	0.5
143.04933	0.6
145.06491	0.7
146.05992	0.3
151.03891	0.2
151.07562	7.3
152.04231	0.6
152.07059	3.1
157.07675	0.3
160.07515	0.4
162.05481	1.0
163.03972	0.3
163.06248	0.6
163.07568	0.4
164.04279	0.5
164.07141	0.6
165.09114	1.4
175.07570	0.8
176.07065	0.8
182.11868	0.3
192.10262	0.2
209.09665	0.2
215.73686	0.2
234.01421	0.2
236.10764	0.4
237.09077	0.4
238.08566	0.2
252.10181	0.4
253.10956	0.3
256.09793	0.7
264.10291	0.6
266.07947	0.3
267.08981	0.5
268.09763	0.2
268.13278	0.8
269.11816	1.0
270.07669	1.1
271.12952	0.3
280.09756	0.9
281.10391	0.5
282.11172	0.6
283.08401	1.7
284.09186	2.3
285.09918	0.8
296.12943	1.0
296.18613	0.4
296.73730	0.2
298.10767	44.8
299.11539	25.1
300.11749	0.3
314.13931	100.0
314.17468	12.7
315.14160	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1389
Annotation	(-)-Norboldine
Peak:m/z	Relative Intensity
58.06609	4.3
69.03432	0.7
70.06593	1.6
70.95640	0.6
70.95959	0.6
84.08138	1.5
86.09717	1.9
107.04964	1.6
116.07075	0.7
120.08082	1.0
129.10231	1.0
130.08626	0.7
147.04381	0.6
151.03976	0.7
151.07542	1.6
163.03880	0.6
165.07010	2.4
166.07797	2.1
167.08525	0.6
172.25395	0.6
177.06975	0.9
178.07765	1.0
179.08560	4.6
180.09229	0.6
181.06607	1.1
181.10138	2.0
182.11787	1.2
189.07056	2.2
190.07738	3.8
191.08568	16.5
193.06496	1.2
194.07265	5.9
195.08066	1.6
197.06136	0.7
204.05814	0.6
205.06458	7.1
206.07324	0.7
207.08080	7.7
208.08871	3.8
209.09621	8.1
211.07573	0.9
217.06375	0.8
218.07317	1.4
219.08086	10.6
220.08698	0.7
221.05951	3.0
222.06763	15.9
223.07486	2.7
225.09111	2.3
233.06044	3.3
234.06694	0.8
235.07506	3.8
236.08379	3.8
237.09132	19.5
239.06998	3.6
247.07561	3.9
249.05444	0.9
250.06313	3.3
251.07031	1.8
253.08661	1.8
254.11752	1.1
255.10153	2.2
263.07071	1.5
264.07895	1.6
265.08615	62.2
266.09302	1.2
267.06546	6.5
269.11813	0.7
279.10242	1.1
282.08875	24.3
283.09128	0.6
296.18665	1.1
297.11237	100.0
298.10831	7.1
299.11520	3.6
314.13956	32.4
314.17291	2.4
314.20258	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	314.1752
Annotation	Laurifine
Peak:m/z	Relative Intensity
58.06608	24.8
70.06623	0.4
70.30961	1.1
72.08169	0.4
79.05479	0.5
81.03397	0.4
81.44009	0.3
91.05486	1.5
93.07064	0.9
95.04980	0.6
95.08618	0.4
98.21471	0.4
103.05483	0.5
107.04967	46.6
108.78749	0.3
109.02912	0.4
115.05470	3.7
117.07027	1.2
117.82578	0.3
119.04986	0.5
121.06519	4.8
128.07021	0.5
130.08630	0.4
131.04903	1.1
133.06622	0.4
137.05988	5.0
139.07547	0.4
143.04945	7.6
144.05797	0.4
145.06503	4.7
147.04445	0.6
147.08072	1.1
151.03935	3.1
151.05042	0.6
151.07574	1.4
152.04269	3.4
157.06577	0.5
160.05251	0.5
161.05991	0.4
163.07578	0.8
164.10675	0.4
165.06996	0.4
166.07799	0.8
174.06729	0.3
175.07574	3.7
176.10716	0.5
177.09122	0.9
181.06546	0.6
181.10097	0.4
189.09117	1.3
191.08586	0.9
192.10172	2.1
193.11020	0.8
194.07263	1.3
194.11885	0.9
195.08031	0.3
207.08124	0.4
209.09618	4.1
211.11212	1.3
219.08134	0.6
222.06773	0.6
224.82187	0.3
237.09106	4.0
239.07228	0.5
239.10634	1.2
251.10780	0.5
252.11678	0.4
254.09361	0.8
256.86853	0.3
260.86514	0.3
265.08542	1.8
268.10910	0.4
269.11743	8.8
271.13330	2.2
275.51251	0.4
283.13312	1.1
296.08673	0.4
297.11292	2.4
298.10736	1.5
299.11646	0.9
314.14145	5.9
314.17505	100.0
315.17923	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83746	0.7
55.05514	8.9
57.03440	14.1
57.07080	41.0
58.97228	0.7
67.05177	1.2
67.05509	13.3
69.07076	12.1
69.26792	2.7
69.27232	3.8
71.04984	1.6
71.08636	29.7
79.05485	3.7
81.06593	1.3
81.07061	24.2
83.08626	11.9
85.06561	0.8
85.10188	17.8
89.06022	2.8
91.05482	4.2
93.07048	8.4
95.08616	27.8
97.06518	1.8
97.10187	7.1
99.08107	1.1
99.11710	0.9
103.07579	1.2
105.07040	7.8
107.08601	10.0
109.10161	17.8
116.39515	0.7
117.06977	1.6
119.08592	12.7
121.10145	9.4
123.08062	1.3
123.11715	12.7
125.09639	1.3
127.11187	1.1
131.08592	4.5
133.10144	8.6
135.11705	3.4
137.13252	2.4
139.11148	2.0
143.08568	2.7
145.10114	4.8
147.11681	4.6
149.09599	1.0
149.13278	4.4
151.11163	1.5
155.08585	1.7
157.10147	3.8
159.11710	7.8
161.09558	0.9
161.13257	14.9
163.14813	2.1
165.12767	1.5
169.10130	1.2
171.11696	5.3
173.13223	3.0
175.14832	6.1
177.12704	1.6
183.11652	1.9
185.13281	3.4
187.14844	4.9
189.12743	1.7
189.16406	5.3
197.13200	2.0
199.14812	2.3
201.16386	2.1
203.14310	1.5
211.14813	2.7
213.16373	2.8
215.17993	1.5
217.15860	1.2
225.16354	4.2
227.17982	15.9
229.15816	1.2
229.19472	1.0
239.17993	3.5
239.23683	3.1
239.25890	0.8
241.19539	1.3
243.17465	1.3
253.19493	1.9
255.21136	1.4
257.18961	3.3
257.24731	3.1
280.21704	1.1
285.25641	1.1
295.24231	12.8
298.27481	1.0
313.27866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47805	0.6
55.05515	7.3
57.03442	15.5
57.07080	44.6
57.18978	0.6
58.06586	0.6
64.76721	0.6
67.05185	0.8
67.05512	9.0
69.07078	9.0
69.50357	4.0
71.08636	28.7
75.04461	0.7
79.05466	1.3
81.07065	12.3
83.08628	10.3
85.10188	15.7
88.21671	0.5
89.06032	2.5
91.05470	2.0
93.07042	1.6
95.08616	19.2
95.86874	0.6
97.10165	4.2
103.07581	1.9
107.08627	0.9
109.10164	7.4
111.11717	1.1
113.13259	0.7
115.16096	0.7
119.84303	0.6
121.10135	0.9
123.11722	4.0
125.13298	0.9
133.41890	0.5
137.06026	0.6
137.13324	0.8
151.14801	1.1
188.07019	0.7
212.23721	1.3
239.23677	3.8
257.24792	5.3
295.28256	1.6
298.27362	1.1
313.27380	100.0
313.36624	1.7
314.27863	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.4
57.03444	11.9
57.07081	40.3
59.41588	1.6
67.05516	8.9
69.07077	8.5
69.41234	9.7
71.08636	27.2
72.08178	1.7
76.98196	1.2
79.05495	2.0
81.07061	13.5
83.08634	8.5
85.10183	12.3
89.06048	1.3
91.05499	7.3
93.07053	1.4
95.08622	13.7
97.10197	5.5
98.21497	1.8
101.06050	1.1
107.08617	1.9
109.10193	8.0
109.10833	1.1
123.11742	3.4
131.08601	1.2
132.70715	1.4
149.02345	1.3
239.23866	2.6
252.03484	1.3
257.24838	3.9
313.27408	100.0
314.13846	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	313.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
54.11693	1.0
55.01885	7.9
55.05516	15.1
55.60260	1.1
56.96544	2.3
57.03441	2.1
57.07073	2.8
58.54379	1.1
59.30683	1.2
65.03934	1.6
67.05180	1.8
67.05510	26.0
69.03426	3.0
69.07072	12.4
69.75099	5.2
70.06581	1.0
70.21192	1.1
71.04998	2.6
71.08636	10.1
72.08139	1.4
75.30532	1.2
79.05500	16.7
80.95364	1.2
81.03407	3.9
81.07063	25.5
83.04966	4.3
83.08627	10.3
85.02905	1.4
85.06553	2.6
85.10198	1.9
86.09695	1.8
91.05483	10.1
93.07051	19.0
95.04957	3.4
95.08610	17.1
97.06543	11.0
97.10157	5.1
99.08099	6.8
105.07039	10.2
107.04987	1.3
107.08601	9.6
109.02911	1.5
109.06554	2.2
109.10179	9.0
111.08076	8.6
113.09670	1.9
117.06978	1.9
119.04943	2.1
119.08593	6.7
121.02879	5.0
121.06510	1.7
121.10146	7.3
123.08073	2.7
123.11723	3.3
125.09614	5.1
129.06966	1.9
131.08539	2.9
133.06453	1.2
133.10168	9.2
135.08128	1.3
135.11696	6.5
137.09613	2.7
139.11171	4.7
143.08566	1.5
145.02835	1.9
145.10118	2.0
145.68571	1.1
147.11708	7.9
149.02342	3.2
149.09645	2.0
149.13258	7.5
151.03911	8.2
151.11180	5.1
157.10149	1.4
159.11691	2.5
161.05997	1.5
161.13249	4.9
163.11156	2.6
165.01909	1.2
165.12790	4.7
167.03461	4.1
167.10730	1.1
171.11694	1.1
173.11781	4.5
173.13240	1.3
175.11298	1.2
175.14934	1.7
177.01848	1.7
179.14337	4.7
185.13240	1.2
189.11237	1.8
195.02931	2.9
195.13867	6.3
203.59187	1.1
207.13731	1.6
217.08656	2.9
220.42334	1.1
229.05011	1.4
231.21161	2.0
239.06865	1.8
241.11145	3.0
241.19536	3.0
243.06519	1.1
249.22186	3.4
253.11153	4.1
255.06560	1.7
256.07245	1.5
259.12283	1.8
259.20621	2.8
267.06558	11.4
270.05292	3.2
271.12250	5.4
277.21655	27.2
283.06110	8.1
284.06808	15.2
285.07324	2.0
295.06058	7.1
295.22739	13.8
313.07086	100.0
313.14148	5.8
314.07483	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	313.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
54.25235	1.0
55.05516	47.5
57.03444	12.1
57.07083	45.2
59.04993	2.2
61.19218	1.2
67.05503	8.6
69.03429	2.4
69.07077	34.1
69.40816	7.8
71.08640	23.6
72.71261	1.2
79.05503	1.5
81.07070	13.2
83.08634	12.7
84.77654	1.0
85.10195	10.1
85.78906	1.1
87.04468	5.9
89.06042	3.5
91.05486	3.1
93.07037	3.6
95.08611	16.1
97.06520	4.2
97.10190	9.9
103.07562	1.0
105.07001	1.4
107.08602	3.3
109.10151	9.8
111.08109	1.9
111.11736	3.1
123.01224	1.3
123.11716	2.9
125.09642	100.0
125.13242	3.7
135.11749	2.4
137.13274	1.4
143.10698	9.9
153.12775	8.2
171.13869	1.8
197.12952	1.1
204.92311	1.1
228.40901	1.1
239.23740	3.7
253.71986	1.1
257.24753	3.1
278.12253	1.1
313.10281	1.2
313.27414	86.7
313.36545	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	313.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08605	0.3
53.03941	0.7
55.05514	0.4
57.03428	0.3
65.03959	0.6
67.05512	0.8
69.03429	0.4
69.07056	0.3
70.94228	0.5
70.94563	0.5
72.08170	0.5
77.03933	0.4
78.04699	0.3
79.05492	2.6
81.03419	0.5
81.07055	0.8
81.45768	0.3
83.08632	0.3
91.05495	5.4
93.07061	1.2
95.04954	0.5
95.08613	0.9
97.02885	0.5
105.03399	0.5
105.07063	0.4
106.06567	9.1
107.08616	0.8
109.06517	0.8
111.04408	0.4
116.04213	0.5
116.04993	5.9
117.07010	0.6
119.06039	0.5
119.08536	0.3
121.10206	0.8
123.11723	0.4
132.04480	0.7
133.06454	0.3
134.06030	100.0
140.54640	0.3
145.06494	3.3
149.02319	0.8
151.03922	3.6
151.07547	0.9
154.51979	0.3
163.03865	0.3
177.76675	0.3
180.10213	2.6
182.69713	0.3
217.98045	0.3
247.05919	0.3
260.52524	0.4
281.08218	0.3
296.20145	3.0
313.07111	0.6
313.10648	1.2
313.15494	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69022	0.9
51.06159	0.8
53.03944	3.3
55.01868	2.9
55.05509	4.3
57.03441	2.9
57.07080	2.4
61.02937	1.6
65.03948	2.9
67.05510	11.5
69.03441	14.2
69.07062	3.6
70.06591	1.5
70.33624	0.9
71.01372	2.2
71.04470	1.5
71.04988	2.9
71.45930	0.8
72.08160	1.0
73.02933	1.6
73.80743	1.0
79.05495	7.1
79.73550	0.8
81.03428	15.8
81.06590	1.3
81.07066	19.4
82.03757	1.0
83.05000	4.1
83.08638	0.8
85.02920	8.0
85.06560	1.0
91.05471	6.8
93.03404	2.2
93.07063	13.8
95.04980	7.9
95.08617	21.2
97.02899	16.8
97.06529	3.3
97.10175	1.9
99.04459	3.9
103.03960	1.0
103.05476	0.9
105.07042	11.9
107.04964	3.9
107.08604	22.8
108.02075	2.3
109.02906	5.4
109.06514	5.1
109.10159	11.2
111.04460	6.8
111.08133	1.1
113.06027	2.1
115.05464	1.3
117.07039	1.9
119.04986	1.3
119.08598	6.1
121.03055	1.0
121.06487	6.1
121.10168	5.8
123.04447	2.6
123.08089	3.4
123.11716	19.3
125.06014	5.0
125.09621	1.4
127.03936	4.8
128.06236	0.8
129.06993	1.3
131.04924	1.2
131.08588	2.1
133.06566	2.0
133.10135	5.6
135.04500	1.5
135.08102	2.1
135.11711	10.6
137.02298	1.2
137.05991	4.0
137.09654	1.1
139.03903	1.3
139.07495	1.0
139.11188	1.1
141.05437	1.9
141.06990	1.1
142.07889	1.0
143.08574	3.1
145.06477	1.0
145.10065	4.3
147.04393	2.2
147.08083	2.0
147.11697	3.5
149.09639	4.5
149.13301	1.0
150.09900	0.9
151.03922	100.0
151.05019	6.8
151.07574	2.3
151.10352	0.8
151.11229	8.1
152.47237	1.0
153.12793	4.3
155.07034	1.2
155.08498	1.0
156.09308	1.0
157.10184	3.0
159.04449	1.0
159.08102	1.3
159.11711	2.9
160.07582	1.4
161.05986	2.6
161.09647	3.7
161.13254	0.9
163.11180	10.7
165.12834	2.2
169.04961	6.4
169.06311	1.3
169.10042	1.2
171.08032	1.7
171.11736	0.9
173.09613	1.3
175.03955	3.2
175.07620	1.5
175.11234	3.9
177.12820	1.4
179.07014	2.5
179.10701	2.8
181.04993	1.4
181.12259	13.1
183.08049	1.0
183.11771	1.1
185.09651	1.8
187.11162	2.3
189.09135	1.3
189.12799	1.3
191.10645	1.7
193.12292	3.2
197.06149	1.0
197.08109	1.8
199.13274	1.4
201.12706	0.9
205.12280	1.7
211.07568	0.9
213.12769	2.1
215.09135	10.1
217.12300	2.4
229.12241	2.1
231.13841	3.2
235.13275	1.4
237.11383	1.2
241.12248	2.5
247.06030	0.9
247.13374	3.3
255.10086	1.5
255.12524	1.4
259.06073	1.1
259.13428	4.5
263.18375	1.3
272.12772	1.0
277.14383	4.9
295.08060	7.5
295.15369	4.5
302.78925	0.8
313.06738	1.5
313.10440	3.3
313.16693	4.5
314.13995	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.3
52.03171	0.2
53.03949	1.4
53.23495	0.2
55.01870	0.7
55.05508	0.3
57.03437	0.8
57.07079	0.2
59.64844	0.2
61.02901	0.3
64.38257	0.2
65.03946	3.3
67.05508	2.1
69.03434	4.2
69.07059	0.3
70.06593	0.2
70.97463	0.4
71.04988	0.7
73.02921	0.2
75.24075	0.2
79.05490	0.6
81.03429	9.1
81.07068	1.1
84.08190	0.2
85.02914	4.5
86.09727	0.2
91.05482	0.5
93.03414	3.4
93.07051	0.9
95.01340	0.2
95.04980	0.9
95.08618	1.1
97.02906	2.4
97.06541	0.2
99.04458	1.3
105.04558	0.2
105.07027	0.5
105.60781	0.2
107.04927	0.3
107.08584	0.6
108.02113	1.7
109.02903	4.0
109.06516	0.4
109.10172	0.4
110.03676	0.6
111.04448	2.8
112.01579	0.3
121.10175	0.3
123.04434	0.7
123.08083	0.2
123.11713	0.9
125.06006	4.0
127.03928	1.7
130.73067	0.2
133.10077	0.3
135.11646	0.3
136.01559	0.5
137.05988	0.4
141.05493	1.6
145.05020	0.4
147.04436	0.3
149.09668	0.3
151.03925	100.0
151.05014	7.6
152.04292	0.4
163.04027	0.3
163.11052	0.2
169.04976	5.7
169.12302	0.3
175.03926	1.1
181.04955	0.5
221.95625	0.2
235.05902	0.3
247.06036	0.2
295.08157	8.2
313.09488	1.3
313.13821	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.6
53.03935	0.7
54.45626	0.5
55.01864	1.3
56.05033	0.7
56.96565	3.6
57.03438	1.3
57.07080	1.2
65.03937	1.2
67.05504	1.3
68.25578	0.5
69.03435	2.9
69.07092	0.9
69.75948	3.3
70.06605	3.6
71.08654	1.0
72.08138	0.6
72.93808	0.5
73.02927	1.4
79.05504	2.2
81.03434	2.0
81.07066	1.5
83.06110	1.1
84.04513	0.7
84.08140	2.3
85.02916	4.2
86.09721	1.4
90.02052	0.6
91.05479	1.2
95.04982	1.8
95.08640	0.8
97.02909	2.1
97.06530	0.7
98.20817	0.7
98.97601	1.7
105.07038	1.1
107.04964	100.0
108.02074	0.6
109.02875	1.0
109.10216	0.9
111.04459	1.1
115.03955	0.9
115.07562	0.7
116.98581	0.7
121.02867	2.4
121.06525	0.6
123.08120	0.7
125.02402	0.6
125.06030	1.4
127.03908	1.4
129.10286	0.8
132.61722	0.6
133.04996	2.0
133.06500	3.2
133.10120	0.6
135.04436	0.9
135.08064	52.4
136.07567	1.3
139.03975	0.6
141.05502	0.7
143.00179	2.3
145.02818	1.0
147.04401	0.8
151.03922	25.7
151.04964	1.2
152.07077	1.0
158.99649	0.8
161.01271	1.1
163.03899	4.0
165.01866	1.3
169.05003	1.0
189.00768	0.7
196.14507	0.7
217.98958	0.5
219.01709	0.7
235.06178	0.8
235.72276	0.6
242.34573	0.7
249.02928	2.4
267.03949	2.6
269.09848	0.8
272.04349	0.8
277.03320	0.7
285.04962	0.9
290.05368	1.0
313.06784	3.1
313.27460	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.5
55.01871	0.9
55.05519	0.3
57.03435	1.1
58.06600	1.3
59.06927	0.4
61.02921	0.4
63.61249	0.3
64.11398	0.3
65.03943	3.2
67.05519	1.8
69.03435	5.9
70.06593	0.5
71.01347	0.3
71.04997	0.9
71.51927	0.3
72.08166	0.5
73.02924	0.3
79.05487	0.7
81.03429	9.5
81.07056	1.3
83.05005	0.4
84.08132	0.5
85.02914	7.2
86.40078	0.3
91.05482	0.8
93.03416	3.8
93.07052	1.1
95.04972	1.3
95.08618	0.5
97.02909	2.3
99.04465	1.2
105.01806	0.4
105.07060	0.7
107.08639	0.4
108.02087	2.1
109.02898	3.9
109.10146	0.4
110.03667	1.0
111.04459	3.0
113.07106	0.4
123.04464	0.5
123.11729	1.4
125.06020	2.9
127.03922	2.4
128.15451	0.3
131.08632	0.4
132.95869	0.9
137.06013	0.4
141.05515	1.7
146.59213	0.3
149.09680	0.5
151.03926	100.0
151.05013	7.0
151.11238	0.5
161.05991	0.3
163.03947	1.7
169.04988	6.1
175.03903	0.4
181.05022	1.9
193.05003	0.8
198.96892	0.6
207.06642	0.9
229.05009	0.4
234.99115	0.9
235.06044	2.1
241.05008	0.4
247.06064	1.5
253.07018	0.3
259.06146	0.9
260.83740	0.3
277.07080	0.5
295.08145	8.7
295.17422	0.7
298.10760	1.0
309.06454	0.4
312.12350	0.5
313.09241	1.8
313.12872	0.7
313.16293	1.8
314.13983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88797	0.2
53.03975	1.1
55.01900	0.8
57.03467	1.1
58.06610	0.3
61.02928	0.3
64.08759	0.2
65.03939	2.6
67.05511	1.9
69.03438	4.5
69.03755	0.3
69.07090	0.3
70.06615	0.6
71.01356	0.2
71.05023	0.5
71.52184	0.3
72.08179	0.4
73.02929	0.6
77.29292	0.2
79.05549	0.3
81.03425	9.6
81.07081	0.3
84.08169	0.4
85.02908	5.0
85.03377	0.3
86.09724	0.3
90.38249	0.3
91.05503	0.3
93.03418	3.4
93.03979	0.3
95.04993	1.2
95.08646	0.4
97.02931	1.7
99.04488	1.2
102.96473	0.3
105.04582	0.4
107.04980	0.4
108.02100	1.5
109.02890	4.3
110.03650	0.6
111.04455	2.9
120.08125	2.9
121.02906	0.7
123.04381	0.4
123.11755	0.4
125.06009	3.6
127.03900	1.7
135.08090	0.3
136.01573	0.3
137.02295	0.4
137.05988	1.2
141.05479	1.2
145.05026	0.2
146.55312	0.2
149.02388	0.3
151.03923	100.0
151.05008	7.4
163.03885	0.3
165.01912	0.4
169.04988	5.5
189.09035	0.4
227.07069	0.4
239.10541	0.3
241.61719	0.3
255.06381	0.7
256.07364	0.4
267.06433	0.5
269.08917	0.5
269.11514	0.4
269.18997	0.3
277.12152	0.3
283.05930	0.6
284.06836	2.3
285.11786	0.3
295.08179	9.3
295.13086	0.4
313.06918	11.9
313.19626	1.0
314.17288	0.3
317.45242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69885	0.4
53.03948	0.9
55.05523	0.8
56.96587	0.6
57.07073	0.5
62.06094	0.7
65.03942	0.6
67.05502	0.8
69.03416	1.1
69.07053	0.6
70.06592	1.6
71.04997	0.6
72.08154	1.0
72.24583	0.5
79.05496	2.1
81.03413	1.3
81.07057	1.1
84.04517	0.8
84.08135	1.8
85.02906	1.2
86.09686	1.1
89.03415	0.7
89.03922	7.4
91.05475	1.3
93.03397	0.6
93.07033	0.8
95.04996	0.9
97.02918	0.5
97.06554	0.8
105.03412	0.6
107.04962	3.5
107.08601	0.9
109.10178	0.6
110.07150	0.7
111.04510	0.6
115.81350	0.5
117.03391	10.5
119.05000	0.6
120.08119	0.6
121.02893	0.5
121.10099	0.6
124.07565	0.5
125.05958	0.5
127.03906	0.5
129.10234	0.8
133.08774	0.5
135.04428	18.6
137.06020	2.7
142.04968	0.5
143.00166	0.7
145.01773	0.8
145.02864	13.0
147.04384	0.8
151.03922	11.6
151.05103	1.0
157.06525	0.5
163.03920	100.0
164.04184	0.6
169.05026	1.1
177.01837	1.1
189.09204	1.0
194.00287	0.8
209.02693	1.3
210.11301	1.0
224.00980	0.9
225.09073	0.6
249.02769	1.0
255.06253	0.7
267.03836	0.7
281.10843	0.6
284.06824	1.4
294.86560	0.5
295.08545	0.5
313.03778	0.8
313.07062	9.1
313.27454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01875	7.8
57.03428	2.9
61.02932	4.2
62.08456	0.6
62.27261	0.6
63.24550	0.6
67.01870	2.3
68.99797	1.8
69.03413	0.9
69.45170	4.2
71.01360	0.7
71.96503	0.6
73.02899	1.1
80.61696	0.6
81.03421	3.6
85.02911	13.5
85.96584	0.6
91.05479	2.1
91.72672	0.7
93.03405	0.9
95.04974	1.5
97.02876	3.4
98.21543	1.2
103.03976	3.8
103.05517	0.8
103.63642	0.6
105.03426	1.2
105.07024	2.2
107.04976	1.4
109.02894	9.4
111.04460	0.7
115.05428	0.9
117.07015	1.3
119.04925	3.0
121.02868	5.8
123.04424	5.1
127.03929	3.6
129.06982	1.3
131.04948	1.1
133.02908	1.0
133.06512	3.3
135.04413	2.3
137.06009	4.1
139.03937	3.6
145.02943	0.9
145.06519	2.4
147.04417	6.3
149.02359	0.7
149.06001	1.3
151.03938	12.2
153.01869	1.9
157.06487	1.4
159.04433	0.9
161.02426	0.7
161.05986	7.0
163.03914	22.3
165.05502	9.9
169.04979	18.6
171.04449	2.7
173.02501	0.8
173.06009	2.3
175.03941	5.7
177.01828	1.4
177.05446	2.1
179.07005	4.4
181.04970	66.0
185.06029	1.4
187.03925	11.2
189.01849	1.3
189.05484	15.8
193.04984	38.7
195.02940	1.1
199.03955	0.7
201.05492	2.8
201.74661	0.6
205.04979	15.9
207.03073	4.0
207.06541	42.1
207.68999	0.7
209.04434	1.2
213.05487	3.9
215.03340	1.2
217.04982	6.3
219.06519	3.9
221.04536	1.0
221.08199	1.0
223.06001	1.2
229.04970	17.8
231.06505	5.7
233.04437	4.9
235.06030	100.0
236.06361	0.8
241.04974	8.8
247.06044	80.6
249.07623	1.4
259.06039	37.3
265.07104	9.7
277.07095	24.7
295.08148	18.5
295.11386	1.1
313.09256	8.6
313.12485	1.2
313.16702	0.7
313.66693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
51.88902	0.2
51.93418	0.2
53.03942	1.2
55.01876	1.2
55.05508	0.5
56.28728	0.2
57.03432	1.0
57.07070	0.1
58.06591	1.0
61.02931	0.3
65.03941	3.2
67.05244	0.2
67.05510	2.0
68.99820	0.2
69.03427	5.2
69.07055	0.6
70.06599	0.3
71.01365	0.3
71.04990	0.7
71.30276	0.3
72.02831	0.2
73.02919	0.3
77.03938	0.2
77.26527	0.2
79.05480	1.0
81.03419	7.7
81.07057	2.1
83.04982	0.4
84.08157	0.4
85.02906	5.0
91.05490	0.8
93.03404	3.2
93.07049	1.4
94.07367	0.2
95.01381	0.2
95.04981	1.7
95.08604	1.6
97.02892	2.6
97.06564	0.2
97.10186	0.4
99.04449	1.1
103.59724	0.2
104.38604	0.2
105.04520	0.2
105.07051	0.7
107.04941	0.7
107.08556	1.0
108.02075	1.6
109.02885	3.3
109.06513	0.4
109.10155	1.1
110.03672	0.5
111.04443	3.3
112.01579	0.4
117.07059	0.2
119.08551	0.3
120.08125	0.5
121.02876	0.9
121.03889	0.2
121.06536	0.2
121.10133	0.6
123.04422	0.6
123.11689	1.6
125.05992	3.8
127.03924	1.8
129.07043	0.3
131.08575	0.4
133.10129	0.5
135.04449	0.2
135.08080	0.3
136.01549	0.4
137.05981	0.7
139.11220	0.2
141.05467	1.7
145.06537	0.2
145.10114	0.4
147.04401	0.3
147.08073	0.3
149.09630	0.7
150.09984	0.3
151.03909	100.0
151.04991	7.4
151.11194	0.8
152.04190	0.2
157.10248	0.2
161.09637	0.3
162.45235	0.2
163.03908	0.3
163.11169	0.4
169.04965	5.2
169.06387	0.3
169.12241	0.4
175.11119	0.2
177.01825	0.2
181.04996	0.8
185.13261	0.2
187.11263	0.2
189.09120	0.5
193.04951	0.3
193.12144	0.2
207.06494	0.2
207.08263	0.2
217.12392	0.3
235.06088	0.5
235.13351	0.2
247.06123	0.3
259.13126	0.4
267.06561	0.5
277.14490	0.3
283.06088	0.3
284.06863	0.6
295.08148	6.5
295.15350	0.5
313.03207	0.3
313.06613	3.9
313.10217	0.3
313.16702	0.3
313.21460	0.2
314.17523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01653	0.7
55.01877	6.9
57.03427	1.9
61.02922	3.2
61.36375	0.7
65.03952	0.8
67.01852	2.0
68.99796	1.1
70.56243	2.1
71.01364	0.7
73.02895	1.2
79.05510	1.0
81.03406	2.2
85.02445	0.8
85.02912	8.6
91.05482	1.7
95.04986	1.6
97.02889	1.8
98.21704	0.7
103.03955	4.2
103.05448	0.8
105.03399	1.5
105.07014	1.3
107.05007	1.1
109.02900	8.8
115.05441	1.7
115.41170	0.8
117.07038	1.3
119.04966	2.7
121.02885	4.9
123.04449	6.1
127.03939	2.8
129.06982	1.2
133.06485	2.2
135.04396	1.3
137.05980	3.8
139.03903	3.2
143.04956	0.8
145.06512	1.4
147.04433	6.7
149.05960	1.6
151.03922	12.6
153.01820	1.7
159.04404	1.5
161.06012	6.8
163.03925	18.3
165.05489	9.9
169.04987	13.5
171.04457	2.4
173.06049	1.5
175.03932	5.8
177.01929	1.3
177.05458	1.9
179.07045	3.0
181.04977	48.8
185.05975	1.2
187.03888	7.5
189.01807	1.0
189.05476	15.0
193.04982	38.2
195.02942	1.3
201.05504	2.1
205.04974	12.5
207.02995	2.8
207.06548	41.0
213.05486	3.0
215.03447	1.9
217.05037	5.6
219.06573	3.0
221.04489	1.3
223.06091	1.0
229.04971	11.3
231.06577	5.4
233.04475	4.5
235.06036	100.0
241.04958	6.6
247.06056	63.9
249.07811	1.6
259.06052	31.8
265.07092	8.9
277.07098	19.1
295.08160	16.0
313.09247	9.2
330.25354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01873	5.9
57.03428	2.4
61.02929	3.3
66.37881	0.6
67.01864	2.5
68.99805	2.0
69.03426	1.1
69.66092	0.7
70.76431	0.7
70.76751	1.3
70.82870	0.7
81.03409	2.1
85.02434	0.9
85.02911	10.6
91.05464	1.8
93.03379	1.0
95.04958	1.1
97.02906	3.2
103.03913	2.5
105.03410	1.1
105.07018	2.1
107.04945	1.5
109.02892	9.1
109.06566	0.8
111.00826	1.0
115.05471	0.9
117.07022	1.0
117.94605	0.6
119.04926	2.8
121.02871	4.8
123.04448	5.5
125.01085	0.6
125.02383	0.6
127.03904	2.5
129.06990	1.4
131.05009	0.8
133.06494	1.9
135.04424	2.7
137.05992	4.1
139.03874	3.5
145.06497	2.8
147.04431	6.0
149.05901	1.0
151.03925	9.3
153.01839	2.3
157.06468	1.5
159.04414	1.1
161.02399	1.0
161.06015	6.7
163.03915	20.4
165.05493	8.6
169.04979	16.6
171.04402	1.3
173.02409	0.8
173.05986	2.1
175.03883	5.0
177.01860	1.1
177.05476	2.0
179.07092	3.3
181.04971	60.2
185.05939	1.1
187.03931	9.5
189.01826	2.1
189.05487	13.0
191.03429	1.0
193.04984	35.4
195.02925	1.4
200.04625	0.9
201.05452	2.5
203.03363	1.0
203.07037	1.6
205.05017	13.2
207.02925	2.5
207.06548	40.0
209.04564	1.0
211.06047	1.0
213.05496	3.4
215.03474	1.1
217.04932	6.2
219.06552	4.5
221.04483	1.0
223.06085	1.2
227.96402	0.6
229.04994	14.6
231.06549	5.5
232.77194	0.6
233.04404	4.2
235.06027	100.0
236.06335	0.9
241.04987	8.8
247.06050	75.0
249.07597	2.3
259.06036	36.7
265.07111	11.2
277.07104	24.9
295.08170	19.6
313.09283	7.3
313.16583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.07
Annotation	Prosogerin A
Peak:m/z	Relative Intensity
50.05694	0.0
53.03942	0.2
55.01867	0.1
55.05506	0.0
57.03452	0.2
60.79788	0.0
65.03940	0.7
67.01859	0.2
68.99780	0.5
69.00118	0.0
69.03477	0.0
69.61581	0.1
69.62004	0.1
77.03936	0.1
79.01868	0.0
80.59103	0.0
81.03417	1.0
83.01331	0.1
83.05004	0.1
85.02903	0.8
91.05480	0.3
93.03409	0.7
95.01339	0.0
95.04996	0.2
97.02904	0.1
98.21485	0.0
99.04485	0.1
105.03391	0.2
107.01292	0.2
107.04972	0.1
107.10856	0.0
109.02883	1.0
110.03714	0.0
111.00825	0.1
111.04464	0.1
118.04222	0.1
119.04941	1.7
120.05762	0.1
120.08141	0.1
121.02868	5.6
123.00821	0.1
123.04425	0.1
124.01633	0.1
125.02377	0.2
127.03893	0.1
131.04948	0.1
133.02849	0.5
135.00778	0.1
135.04424	0.1
138.03099	0.5
138.04056	0.0
139.03912	0.1
141.01801	0.1
141.06918	0.0
145.02837	1.9
147.04413	0.2
149.02344	4.5
151.03862	0.1
152.01056	0.1
153.01828	0.7
153.06996	0.1
155.08551	0.0
157.06477	0.0
163.03908	0.6
165.01836	1.0
165.07025	0.2
166.02606	0.5
167.03401	4.9
168.03804	0.0
169.06459	0.1
171.02856	0.1
171.08051	0.0
173.05945	0.1
175.03886	0.1
177.01834	2.9
181.06473	0.1
182.07349	0.0
183.02884	0.1
183.08022	0.2
184.03748	0.2
185.05869	0.0
187.03911	0.2
189.37508	0.0
193.06340	0.1
195.02896	3.0
197.05991	0.2
199.07532	0.1
200.08449	0.0
202.06342	0.2
203.07092	0.0
210.06770	0.1
211.03877	0.1
211.07477	0.4
213.03860	0.1
213.05504	0.2
215.07080	0.2
221.05992	0.1
225.05463	0.1
227.07030	0.4
228.07806	0.3
229.04948	1.8
238.06313	0.1
239.07027	1.8
240.07738	0.1
241.04890	0.1
241.08630	0.1
242.05740	0.8
243.06462	0.1
247.06026	0.2
249.05559	0.1
253.04951	0.2
255.06522	1.3
256.07303	1.8
257.07993	0.1
266.05789	0.2
267.06522	11.3
268.06876	0.2
269.04462	0.6
269.08090	0.1
270.05225	4.0
271.05957	0.1
283.06006	9.4
284.06784	14.2
285.07513	1.2
295.06006	7.9
296.06454	0.1
298.04712	0.1
313.07040	100.0
314.07425	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73166	1.3
53.03936	3.8
53.53990	1.2
55.01883	2.1
55.05270	1.4
55.05518	17.1
57.07071	5.0
58.06569	1.6
59.76993	1.3
67.05510	20.7
69.03432	1.6
69.07073	31.2
70.06583	2.7
71.04990	4.1
71.53681	1.8
72.07756	2.8
72.08160	51.5
79.05498	31.5
80.13190	1.2
80.88358	1.5
81.03417	3.6
81.07067	24.5
83.04988	2.3
83.08614	2.4
84.08140	1.2
85.06520	1.3
85.10197	3.1
90.09188	2.5
91.05483	13.3
93.07050	34.2
95.04962	5.1
95.08610	17.2
97.02872	1.8
97.06498	1.7
97.10147	1.9
105.07017	5.1
107.04966	37.2
107.08607	21.2
109.06516	2.5
109.10189	8.4
111.11734	2.0
113.09747	1.5
117.07005	3.4
119.08572	4.0
121.06512	5.1
121.10161	14.5
123.08134	2.5
123.11684	3.9
131.08574	5.1
133.10115	1.9
134.05977	1.2
135.08075	9.5
135.11693	2.8
137.13318	2.2
139.07558	1.7
145.10156	3.4
147.04442	2.6
149.09685	6.6
153.09094	3.0
161.13322	2.1
163.11150	1.3
163.14847	18.1
167.10660	2.0
175.03914	16.2
177.16460	3.2
187.03923	2.3
187.14882	6.7
205.15852	7.9
211.07547	2.4
223.16925	5.1
224.20322	1.7
226.06129	2.0
227.07050	1.8
229.08473	1.6
241.08563	5.5
243.10344	1.6
254.09300	3.0
255.10313	3.3
259.45895	1.5
267.23184	1.3
270.08972	3.0
276.23367	8.8
285.11246	3.2
294.24301	100.0
295.13202	1.8
312.12708	1.7
312.19250	1.4
312.25293	8.6
313.10629	5.2
313.14151	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	312.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.6
56.68794	0.5
57.07082	0.9
58.06614	3.3
58.77639	0.5
59.84894	0.5
60.04535	0.5
67.05511	5.9
69.07084	4.7
70.06592	0.8
71.08623	0.7
71.53042	0.8
72.08164	100.0
78.87670	0.5
79.05502	2.6
81.07070	5.7
83.08627	5.3
84.04525	0.8
84.08143	3.4
85.06548	1.4
90.10548	0.5
91.05495	0.7
93.07046	4.5
95.08633	1.8
97.06554	1.3
97.10206	1.2
99.08095	0.7
107.08589	3.6
109.10184	1.4
111.08145	0.6
112.11242	3.0
121.02836	0.6
121.10175	2.2
137.06004	1.3
149.13287	7.5
181.06599	0.5
196.17018	1.1
224.20116	97.9
238.21645	1.0
241.22806	7.4
242.94980	0.5
267.06583	0.7
280.10593	0.6
283.06000	0.5
284.06488	1.7
294.21265	1.2
295.27475	45.0
312.06223	0.8
312.13010	1.3
312.30099	51.3
313.07062	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	312.217
Annotation	YM 47515
Peak:m/z	Relative Intensity
53.03927	2.6
55.01864	2.5
55.05511	11.7
57.07069	1.6
58.06605	2.8
65.03918	1.5
67.05506	41.6
69.07059	6.7
69.23284	12.4
70.06590	3.4
71.04979	1.4
72.08155	29.1
79.05067	2.0
79.05495	24.8
81.03413	5.4
81.06595	2.5
81.07057	48.6
83.05001	1.9
83.08636	1.7
91.05497	9.8
93.06490	1.9
93.07052	35.1
95.04947	5.4
95.08607	10.2
97.06519	1.8
105.07007	5.9
107.04937	4.5
107.08593	25.0
108.66798	1.1
109.06487	2.2
109.10146	12.5
117.07007	4.9
119.08567	5.2
121.06499	3.2
121.10166	7.5
123.08117	1.5
124.19128	1.4
130.80995	1.1
131.08548	4.6
133.10123	6.0
133.11075	1.2
135.08072	2.0
135.11678	4.7
137.05940	1.5
139.09908	2.0
149.09596	1.6
149.13232	7.7
159.11687	3.4
165.69414	1.3
175.03862	1.5
177.12704	6.1
197.38222	1.3
248.20108	100.0
249.20436	1.7
263.10034	1.3
266.21170	8.3
276.23166	2.3
294.20651	55.3
294.23993	4.3
312.12582	1.9
312.18286	2.8
312.21756	3.9
312.25128	1.7
312.32712	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.05517	7.7
57.07082	19.0
58.06637	0.5
67.05180	1.0
67.05514	13.2
69.07075	13.1
70.06608	3.0
70.76670	1.4
71.05005	9.0
72.08154	0.8
74.09719	3.0
77.57133	0.5
79.05491	2.9
81.07068	73.2
83.04992	1.4
83.08637	4.6
85.06532	1.3
85.39660	0.5
89.06040	2.0
91.05482	1.5
93.07059	6.8
95.04965	2.8
95.08617	29.7
97.10196	1.6
98.06069	23.9
98.06596	0.5
100.07593	0.9
105.07028	2.1
107.08583	1.1
109.06526	1.8
109.10177	1.5
112.07610	2.5
113.05973	0.6
123.11722	100.0
125.13261	1.4
126.12813	1.8
130.12303	2.4
133.10133	1.5
140.10680	2.1
141.12723	2.1
151.11217	6.7
152.68034	0.6
154.12285	6.9
155.13083	1.1
168.13831	2.7
169.12270	8.6
187.13362	1.2
211.16960	13.8
224.20116	8.6
242.21170	95.0
243.21466	1.0
257.17563	3.6
294.21310	0.7
312.25363	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83384	0.5
55.01884	0.6
55.05278	0.8
55.05519	10.8
56.05038	0.8
57.03447	0.9
57.07083	4.1
60.04533	26.8
67.05193	0.6
67.05514	8.8
69.07074	21.4
69.56070	1.9
69.56497	1.5
71.04999	1.3
71.08626	2.0
77.89834	0.5
79.05494	2.7
81.07065	14.6
83.04976	1.0
83.08157	0.6
83.08630	10.1
85.06543	1.6
91.05495	3.4
93.07050	3.2
95.04962	0.6
95.08619	11.4
97.06536	1.0
97.10179	6.8
99.08099	1.4
101.06002	0.8
105.07043	3.6
107.08614	2.9
109.10177	7.8
111.08138	0.7
111.11730	2.5
114.12827	11.0
119.08600	4.0
121.10126	2.6
123.08075	0.9
123.11731	2.9
125.09663	0.6
126.12811	1.0
133.10146	3.6
134.06018	3.3
135.04446	0.5
135.11699	2.1
137.09627	2.0
137.13261	1.4
139.11180	0.8
147.10660	0.5
147.11711	3.2
149.13280	0.7
151.11154	0.7
151.14868	0.7
153.12704	0.6
154.12283	4.0
154.15875	0.7
156.13875	0.9
161.13260	2.0
165.12744	0.8
172.13350	2.9
176.14365	1.2
194.76834	0.6
217.19534	4.5
219.90691	0.5
234.22110	0.6
235.20564	5.6
252.11559	4.7
252.23265	10.1
270.24313	10.0
294.24283	2.8
312.25357	100.0
312.32217	2.5
313.27347	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.01878	13.7
55.05518	14.6
57.03438	0.6
57.07081	2.2
67.05514	2.6
69.07077	10.1
69.79362	1.6
71.08628	1.7
72.04498	0.6
72.08163	3.7
79.05499	1.9
81.07071	5.0
82.04213	0.3
83.04972	0.6
83.08629	15.3
83.09129	0.7
84.08964	0.3
85.06564	0.8
87.71304	0.3
90.09195	2.3
91.05479	0.5
93.07069	2.4
95.08616	4.5
97.06541	1.8
97.10181	10.1
107.08595	2.6
109.10161	0.8
111.08101	1.2
111.11716	2.0
111.51078	0.4
114.09216	1.9
115.07596	0.5
119.08613	0.3
121.10150	3.1
125.09624	0.5
132.10220	1.1
132.69713	0.3
163.14809	1.2
181.15894	21.5
198.18535	0.9
210.12073	0.4
252.23254	100.0
253.21466	0.6
253.23724	0.9
270.24286	7.6
293.95007	0.4
312.25546	3.2
312.32596	1.4
312.35995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1958
Annotation	6-Methoxydictyolomide A
Peak:m/z	Relative Intensity
50.81435	0.3
55.05509	2.0
57.03443	0.3
57.07072	0.8
65.03947	0.2
67.05501	1.5
69.03427	0.5
69.07076	3.2
70.06567	0.3
71.08611	0.5
71.52773	0.3
72.07756	0.4
72.08160	7.0
72.24123	0.3
79.05484	1.0
81.07069	2.1
83.04969	1.4
83.08607	0.7
91.05466	0.4
93.07042	1.1
95.08633	1.4
97.06554	0.4
97.10139	0.5
105.77077	0.3
106.06549	0.8
107.08589	0.5
114.09196	2.2
117.07025	0.3
121.10138	0.7
132.08110	1.1
134.06020	7.6
146.06026	0.3
160.07571	2.2
176.07085	4.2
181.15865	4.5
188.07074	88.7
189.07384	0.7
200.07097	0.4
202.08640	6.6
208.65030	0.3
210.12175	0.4
214.08655	1.0
216.10188	1.1
228.10240	1.1
229.09503	0.3
230.11752	2.1
238.11607	1.0
244.13341	1.3
256.13318	3.6
265.52487	0.3
270.15149	0.6
294.17551	0.3
294.24384	7.3
294.27856	1.3
312.19583	100.0
313.19864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.196
Annotation	6-Methoxydictyolomide A
Peak:m/z	Relative Intensity
50.89444	0.2
55.05500	1.0
57.07085	1.1
60.08175	0.4
60.68584	0.3
62.06094	3.7
67.05503	0.6
68.71523	0.2
69.07066	3.4
69.41080	1.7
71.08630	0.6
72.08151	0.4
79.05487	0.5
81.07071	1.6
83.08630	0.6
90.66211	0.2
93.07086	0.4
95.08583	0.7
97.10141	0.3
106.06561	0.8
109.10201	0.2
121.10176	0.3
132.08069	1.0
134.05019	0.3
134.06033	5.7
137.13326	0.3
149.13242	0.3
160.07614	1.8
176.07080	4.1
188.07077	79.5
189.07491	0.5
200.07056	0.4
202.08643	5.6
214.08675	0.7
216.10236	1.0
223.20547	0.3
228.10179	1.3
229.09825	0.3
230.11786	1.8
238.11887	0.4
242.11803	0.5
242.21683	0.3
244.13353	0.7
256.13361	2.7
270.14868	0.6
294.27921	1.2
312.19586	100.0
312.36020	2.0
313.19888	0.9
313.27448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1806
Annotation	Phomaligin A
Peak:m/z	Relative Intensity
53.03938	0.5
55.05510	1.1
57.07080	2.0
66.06467	0.4
67.05244	0.4
67.05515	4.9
67.42381	0.4
69.03425	1.2
69.07077	4.5
70.01582	1.7
70.06583	0.5
71.08625	0.4
71.10796	0.5
72.04507	0.6
79.05492	2.2
79.94444	0.4
81.07063	45.3
82.17117	0.4
83.08622	1.0
84.04501	1.4
85.02895	1.2
91.37520	0.4
93.07029	1.2
94.02928	1.8
95.08612	26.3
96.00881	0.9
96.04491	2.0
102.01852	0.5
105.07036	0.8
106.73584	0.4
108.08119	0.5
109.10160	2.0
110.02405	1.9
112.03969	1.1
114.01911	2.1
114.05587	0.5
122.02415	0.5
124.03937	0.9
124.38743	0.4
128.03453	4.8
137.05945	0.5
137.13268	42.1
140.03435	6.9
152.03413	0.5
156.02951	0.8
158.04495	9.6
161.09787	0.4
164.14366	1.4
166.15950	0.9
170.04504	0.8
174.03989	1.2
176.05563	4.6
178.08754	0.4
182.08214	0.6
188.05606	1.9
196.09663	0.4
220.13254	0.5
224.16490	2.9
238.14369	3.2
250.18109	0.5
252.16006	2.9
256.11926	0.5
266.17581	1.9
284.18600	3.9
312.18079	100.0
313.18497	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
56.05035	0.6
57.07078	0.8
58.06591	1.4
62.14557	0.4
67.05489	1.5
69.03435	0.6
69.07079	4.3
70.02954	0.7
70.06605	3.7
71.04987	0.7
71.51626	0.7
72.08153	2.6
75.53041	0.4
79.05501	3.4
80.05031	1.3
81.03431	1.0
81.07069	2.7
82.06602	0.8
83.08604	1.3
84.04491	1.3
84.08153	1.2
86.09708	2.1
88.03992	2.8
91.05451	1.5
93.07047	6.5
94.06569	0.9
95.07382	0.7
95.08607	1.8
96.04507	1.0
96.08123	1.1
98.02437	0.6
100.03970	1.1
100.40253	0.4
105.07034	1.8
107.08603	3.2
108.08128	24.1
108.08875	1.2
109.06512	0.5
109.08355	0.7
109.10117	0.8
110.09674	1.7
113.07130	0.9
114.05498	0.6
114.09180	0.7
116.03480	0.6
116.07093	1.3
119.08555	1.0
120.08100	2.1
121.10134	1.4
122.09677	11.1
123.10438	1.9
124.03945	0.5
124.11128	0.5
128.03493	1.1
128.10756	0.8
133.10117	1.2
135.11679	5.8
136.11218	3.6
137.05937	1.5
138.05435	0.8
138.06380	0.8
146.04510	0.7
149.09706	0.6
150.05478	0.7
150.12794	22.1
151.03893	1.8
151.13580	11.3
152.14394	0.5
161.13199	0.5
162.12804	2.0
164.14343	0.9
165.07889	0.9
165.14690	0.6
166.08676	0.9
166.12282	0.6
174.09152	1.1
175.09926	1.2
176.14308	0.5
177.09132	2.0
178.08650	0.8
178.15895	1.2
179.14250	0.7
180.10234	0.9
187.07611	0.6
194.07219	1.0
194.11780	1.8
195.08141	0.6
196.06070	2.0
200.09271	0.7
204.10191	0.8
206.11807	2.0
208.13333	4.2
209.09486	0.6
209.11186	0.5
209.13745	0.7
210.07593	0.6
210.10384	0.5
211.07527	0.5
214.07108	0.9
214.10721	0.9
222.06732	0.8
222.14957	2.4
223.07520	1.3
224.09120	1.3
224.16490	1.2
237.09006	0.9
238.09932	3.6
239.07114	1.0
250.10234	0.6
250.14378	1.4
251.10733	0.6
252.11121	0.6
254.09373	3.0
266.13840	1.6
266.17505	0.4
267.17072	0.5
268.15430	100.0
269.11707	5.7
269.15802	0.7
270.16995	4.6
280.10403	1.1
283.13358	3.5
295.23599	0.5
312.18323	61.4
313.07147	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17983	0.2
60.05656	1.3
65.22536	0.1
65.81481	0.1
69.69059	0.8
70.06249	0.2
70.06597	2.2
84.08145	0.2
87.33678	0.2
92.05017	0.8
93.05784	0.1
94.06583	1.5
96.04526	0.3
97.50823	0.2
110.06031	0.7
116.07098	1.0
124.85170	0.1
130.08688	0.3
130.09741	0.3
137.17253	0.2
138.05513	100.0
138.96916	0.2
139.05836	0.4
158.09285	0.2
173.43736	0.1
175.11928	4.7
204.57338	0.2
226.19902	0.2
312.16849	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12053	0.5
53.03936	1.0
55.01864	1.0
55.05508	1.1
57.07062	0.7
58.06598	0.9
67.05523	3.7
69.07049	1.1
69.15652	1.1
69.16056	4.8
70.06594	0.7
71.28098	0.4
72.08164	2.5
74.37968	0.4
78.48528	0.5
79.05511	3.5
81.03410	0.8
81.07050	2.4
91.05492	5.7
93.07035	2.0
95.04961	1.2
95.08620	1.4
98.06078	0.8
98.21640	0.9
105.07040	0.8
106.06570	8.7
107.04974	1.3
107.08562	0.8
109.06547	1.2
109.10145	0.9
116.05001	5.1
119.08595	0.6
121.06498	1.1
121.10169	0.5
130.06561	5.6
134.06024	100.0
136.07556	0.8
137.05959	0.9
148.07584	13.0
149.13284	0.9
165.10248	17.3
179.11870	0.8
188.07121	0.7
248.20279	2.8
259.44449	0.5
269.12857	1.4
281.12668	1.2
294.17297	0.8
294.20728	2.2
294.24377	1.8
312.17172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1807
Annotation	Phomaligin A
Peak:m/z	Relative Intensity
53.03952	0.5
54.50287	0.3
55.05505	1.5
57.03442	0.6
57.07074	1.5
58.59873	0.3
65.03937	0.3
67.05510	5.4
68.05022	0.7
69.03444	1.0
69.07073	6.7
70.06596	5.3
71.08642	0.6
71.38567	0.6
71.76363	0.3
72.04542	0.7
72.08156	0.6
79.05499	4.4
81.03422	0.4
81.07062	55.8
82.07327	0.3
83.08621	0.5
84.04523	1.6
85.02905	1.3
91.05466	0.4
93.07071	1.2
94.02940	2.5
94.06590	0.3
95.08614	31.9
96.00875	0.6
96.04507	3.0
97.02896	0.4
98.06083	0.4
101.46889	0.3
102.01921	0.7
102.34125	0.3
105.07041	1.1
107.08609	3.2
108.08153	0.5
109.10162	2.8
110.02422	2.3
110.06028	0.7
112.03967	1.2
112.11227	0.3
114.01872	2.5
114.05523	1.1
116.06351	0.5
116.07106	6.4
119.08539	0.5
120.45773	0.3
121.10126	0.4
122.02437	0.4
123.11814	0.4
124.03965	0.9
128.03452	5.4
133.10164	0.5
137.06006	0.4
137.13264	56.8
138.06346	0.4
138.13631	0.5
140.03438	8.9
149.13286	2.3
150.12875	0.3
151.03883	0.4
151.14828	0.8
152.03465	0.7
156.02864	0.4
158.04492	11.1
161.13240	0.6
163.35292	0.3
164.14378	1.7
166.12288	0.3
166.15944	0.5
170.04530	0.8
172.11507	0.3
174.04041	0.3
176.05573	7.5
179.14282	0.7
182.08115	0.4
188.05571	2.0
192.13889	0.9
194.15440	0.5
196.09676	0.7
196.13348	7.3
201.51979	0.3
207.13867	0.3
210.14941	0.7
220.13347	0.8
222.18674	0.4
224.16570	1.8
224.19963	0.3
238.14421	4.1
250.17986	0.5
252.10925	0.6
252.15927	2.5
256.11801	0.9
266.17551	1.1
280.10580	0.7
283.05795	0.4
284.06747	0.7
284.18488	1.9
294.17386	0.7
294.20605	3.1
312.18054	100.0
313.07062	3.3
313.14188	0.4
313.18362	1.2
314.50446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
54.58108	1.1
55.01875	2.1
55.05519	1.7
56.96569	1.2
57.03440	5.3
58.06587	1.6
58.07038	1.4
60.04536	1.6
61.02929	9.9
67.05483	1.5
68.13744	1.1
69.03436	20.1
69.07077	13.0
70.06589	9.0
70.29453	2.8
70.29800	2.1
71.05005	2.8
72.08167	5.9
72.66694	1.2
73.02919	5.9
73.06559	2.4
81.03432	7.3
81.07050	1.2
84.04514	2.5
84.08147	6.3
85.02914	100.0
86.09706	11.0
86.15418	1.0
87.00855	1.2
87.04475	3.9
87.08121	17.8
91.03964	6.8
91.05486	2.4
93.07053	1.5
97.02289	2.1
97.02901	27.4
99.04449	4.5
105.03396	5.6
105.09170	2.4
106.03735	5.4
107.04968	1.6
109.02893	7.6
110.07204	2.5
115.03974	2.6
115.07616	3.4
116.07092	1.5
118.06573	2.7
119.08559	2.2
120.08111	3.5
122.02662	2.3
122.06071	2.3
124.03953	1.8
127.03923	23.5
129.10220	2.6
132.08102	1.6
133.08630	7.5
137.05972	2.9
138.05476	1.6
138.06390	1.6
145.04971	46.9
146.05975	1.5
150.05515	48.0
150.06691	2.9
151.03938	6.8
163.03941	3.8
163.06033	12.4
164.07098	1.8
180.08737	1.7
180.10188	1.8
216.77393	1.2
220.08276	1.3
224.12857	2.8
224.16484	1.4
236.11307	1.3
250.14372	1.5
259.11676	1.3
266.09082	1.2
268.15506	3.5
280.10522	2.1
295.14059	1.8
312.10083	1.4
312.18222	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	312.1597
Annotation	Thebaine
Peak:m/z	Relative Intensity
53.81693	0.4
55.05515	0.6
67.05508	1.0
68.05037	0.4
69.03449	0.7
69.07081	3.8
70.06599	2.9
70.08015	1.6
72.08160	1.2
79.05508	0.5
81.03436	0.6
81.07049	0.7
83.08650	1.2
85.02922	1.2
91.05505	0.9
93.07091	0.8
95.06131	0.6
95.08602	0.9
97.02911	0.6
107.08646	0.7
114.05573	0.7
116.07108	3.4
119.04968	0.6
121.02875	2.0
135.11700	0.8
137.05963	2.7
138.06364	1.5
151.03902	0.7
151.08812	0.5
153.12776	0.6
165.06970	0.4
167.03458	1.8
167.08571	0.9
176.07071	0.7
177.01869	0.6
178.07632	0.6
191.08540	0.8
192.08948	1.7
193.10342	0.6
195.08067	3.0
205.06537	1.1
206.07243	1.6
207.08096	5.4
208.08755	0.8
209.09642	1.3
210.06685	0.6
210.10483	0.5
211.07643	0.8
218.07184	1.0
219.08040	3.0
220.08517	2.0
221.06030	1.1
221.09587	1.9
222.06792	1.6
223.07545	6.5
224.16508	0.8
229.05002	0.7
233.06015	1.2
234.06783	3.2
235.07553	10.7
236.08208	0.9
237.05482	3.9
237.09152	7.1
238.06337	0.9
238.09944	3.5
239.07008	1.6
245.89215	0.5
247.07739	0.6
247.15265	0.6
248.08047	1.9
249.09131	5.5
250.09920	30.5
251.07076	32.8
251.10500	1.2
252.07829	6.3
252.10982	2.7
253.08562	1.5
254.09288	1.5
255.06558	0.9
256.07434	0.8
265.08582	2.2
266.09421	50.1
267.06555	3.6
269.11691	1.8
270.05215	1.2
280.10544	2.6
281.11749	100.0
282.08707	0.5
282.11972	0.9
283.05994	2.3
284.06726	6.0
295.05939	2.3
297.10602	0.8
312.12823	3.2
312.15964	47.9
312.21292	5.5
313.07083	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99015	0.4
53.03950	2.2
55.01872	1.3
55.05505	0.6
57.03438	3.9
57.54068	0.6
58.06616	0.8
60.04551	0.7
61.02930	6.8
63.39943	0.5
67.05530	0.7
69.03436	13.7
69.07076	8.0
69.75770	1.0
69.76170	2.3
70.06608	2.3
71.04994	1.9
72.08154	1.2
73.02927	3.5
77.03984	0.5
79.05486	0.6
80.05038	0.8
81.03426	5.9
83.01353	0.6
83.06484	0.5
84.04518	0.6
84.08152	1.8
85.02914	76.2
86.09718	1.4
87.00808	1.4
87.04494	3.2
87.08121	10.1
91.03967	4.3
91.05485	0.7
93.07037	0.6
94.06599	0.7
95.04982	1.7
95.67687	0.5
97.02905	18.7
97.15440	0.5
98.20779	0.6
99.04464	4.4
101.02412	0.8
102.76337	0.5
103.03972	0.6
105.01881	2.0
105.03397	3.7
105.07049	0.8
105.09136	1.1
106.03748	3.9
107.04982	0.9
108.08162	0.5
109.02883	6.9
110.07200	0.6
115.03954	1.0
119.08611	0.5
120.08143	1.2
121.02887	1.0
122.06049	3.6
127.03926	19.2
129.10269	0.8
132.04475	0.5
133.02873	0.7
133.04967	1.5
133.08618	3.7
134.05997	2.4
136.07550	0.6
137.05998	1.0
138.05515	1.3
139.06320	0.9
145.04977	32.3
146.06056	1.1
147.04395	0.6
150.05522	100.0
151.03923	2.5
163.06038	5.9
164.07127	0.8
180.08609	0.8
180.10165	0.5
192.06529	2.5
195.08920	0.7
201.47577	0.6
206.11690	1.0
216.06573	1.1
224.12834	2.7
250.08473	0.5
250.14397	1.2
268.15479	3.4
280.10519	0.9
312.10168	0.7
312.13480	0.7
312.14194	0.9
312.18124	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	312.1597
Annotation	Thebaine
Peak:m/z	Relative Intensity
55.05503	0.8
58.06589	1.6
60.04531	0.6
69.03413	1.5
69.07056	1.4
69.56525	2.4
70.06577	1.3
71.04990	0.5
72.08154	1.0
79.05505	0.6
84.04510	0.6
84.08108	0.6
85.02872	0.8
86.09681	1.5
87.04482	0.7
91.05482	1.3
93.07022	2.0
103.05411	0.6
105.07008	0.8
107.04923	0.6
107.08567	0.6
108.07455	0.7
108.08141	8.3
109.08453	2.2
109.10093	0.5
115.03904	1.2
117.07011	0.8
119.08520	0.6
122.09634	2.0
124.03957	1.1
131.04865	0.7
132.04439	1.1
133.04980	0.8
135.11737	1.3
136.11169	0.6
136.12103	0.7
137.05962	1.9
138.06291	1.8
146.07262	1.8
150.05530	1.1
150.11821	0.6
150.12819	6.9
151.13620	3.3
152.14247	0.7
160.07535	1.6
162.06728	1.9
164.14334	0.8
165.06815	0.8
165.09109	1.3
165.14703	1.1
166.07864	1.2
167.08575	0.8
169.43658	0.6
174.09149	4.6
175.09956	5.6
177.09146	11.3
179.08543	0.6
183.08043	0.8
187.07491	1.2
190.08623	1.5
192.08759	0.7
194.07320	4.8
195.08101	5.0
196.06029	1.6
204.10245	4.9
206.11772	11.0
207.08150	1.3
208.13318	1.0
209.09570	1.9
209.13631	1.9
210.10481	3.0
211.07597	3.1
219.07835	0.7
220.08371	1.3
221.09471	0.7
222.06786	4.7
223.07561	6.2
224.08292	0.9
224.12724	0.8
224.18362	1.0
225.09114	1.1
226.09807	2.8
237.09143	2.9
238.09918	15.6
239.07004	4.9
239.10652	0.8
241.08615	2.7
241.12312	1.2
248.07753	0.7
250.09729	0.8
251.06898	0.6
251.10677	0.6
251.14697	1.3
252.11215	1.8
254.09404	18.4
266.08060	1.2
267.16992	1.6
268.10941	1.1
268.15146	12.8
268.17032	2.4
269.11755	31.1
280.10419	1.5
281.11728	1.1
283.13330	18.3
312.15854	100.0
313.16269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1081
Annotation	Dhurrin
Peak:m/z	Relative Intensity
53.03941	0.9
55.01887	0.6
55.05517	0.3
56.80349	0.2
57.03448	1.8
61.02934	2.9
62.43170	0.2
69.03434	6.5
69.07074	2.2
70.06598	1.4
70.75372	0.6
71.04987	0.7
72.08154	0.9
73.02921	1.4
73.06567	0.2
74.06054	0.3
81.03430	2.8
83.04036	0.2
83.04951	0.2
84.04503	0.3
84.08147	1.0
85.02913	27.0
86.09702	1.0
87.00820	0.4
87.04466	1.2
87.08112	2.4
88.04016	0.3
91.03947	1.4
91.05492	0.3
92.39910	0.2
93.07018	0.3
94.06588	0.4
95.04967	1.1
97.02901	6.9
99.04456	1.6
101.06056	0.2
105.00042	0.2
105.01896	0.9
105.03415	2.3
106.03752	2.1
107.08622	0.3
108.08156	0.4
109.02885	2.3
116.07089	0.3
120.08109	0.7
121.02866	0.8
122.06034	4.2
127.03927	6.0
127.04829	0.5
128.29076	0.2
130.04961	0.4
132.04486	0.4
133.02866	0.7
133.08618	0.9
134.06010	2.3
136.07574	0.5
137.06004	0.6
138.05513	0.5
138.06459	0.3
145.04982	9.5
145.06154	0.5
146.05994	1.5
150.05518	100.0
151.03920	2.4
162.05505	0.4
163.03937	0.3
163.06065	1.9
164.07071	1.1
180.08199	0.3
192.06590	2.4
194.84273	0.2
206.11755	0.3
216.06592	0.8
220.08170	0.3
222.14944	0.3
224.12904	0.7
250.08734	0.6
250.14348	0.5
268.15497	0.8
280.10471	0.3
291.19153	0.3
294.17450	0.3
302.69913	0.2
312.10519	1.3
312.18076	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	311.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
53.93726	1.3
55.01871	2.1
55.05275	2.3
55.05517	27.9
57.03438	3.0
57.06834	1.3
57.07087	17.2
59.04998	1.6
65.03916	1.9
67.05511	36.9
67.60115	1.8
69.07078	61.0
71.02492	1.4
71.05017	1.5
71.08635	7.8
79.05501	19.3
81.07067	100.0
82.54751	1.4
83.04979	3.1
83.08629	33.0
85.06552	15.8
85.10195	3.1
91.05494	7.5
93.07062	18.6
95.04958	3.3
95.08618	90.9
97.06548	22.5
97.10188	18.8
98.97600	2.0
99.08099	12.1
105.07049	8.2
107.04955	2.3
107.08604	12.4
108.00227	1.7
109.06506	1.8
109.10169	48.4
111.04462	1.4
111.08058	1.6
111.11747	14.8
113.09649	2.3
119.08584	6.3
121.06510	2.5
121.10181	9.4
122.03606	3.0
123.11730	26.7
125.09652	2.7
125.13273	6.3
129.07019	2.0
129.87279	1.5
131.08545	1.3
133.10141	3.6
133.58698	1.3
135.04457	1.5
135.11690	5.9
137.05995	36.0
137.09561	1.8
137.13266	14.1
141.12831	1.4
143.14392	1.8
149.06036	2.1
149.09631	2.5
149.13283	15.9
151.07605	1.3
151.14850	7.1
154.07707	1.4
155.04965	3.5
159.08054	2.0
161.06007	3.8
161.13283	5.0
163.14845	6.8
165.01791	2.6
165.06927	1.6
165.16408	4.7
169.10030	2.8
169.15915	1.7
177.16531	1.8
179.08636	1.7
179.14333	4.7
179.17970	2.6
183.08078	2.2
184.16963	2.5
185.09503	1.9
187.07573	10.3
190.07817	6.9
191.08568	15.3
193.19551	1.7
195.08073	3.2
197.09561	2.2
205.19525	1.7
207.08102	2.1
208.08815	1.7
211.11066	2.9
213.09103	6.1
214.10088	2.0
215.10573	6.5
218.07343	3.3
219.08104	18.0
219.20996	1.9
220.08890	1.7
225.09209	2.7
233.09622	1.7
233.40819	1.4
235.07544	2.3
236.08344	4.2
237.09009	1.6
247.07591	10.1
251.10690	27.2
253.08589	2.2
264.07870	3.2
264.11407	1.8
266.21185	3.5
267.13785	3.0
268.97235	1.2
275.27347	6.4
279.10211	23.4
280.10959	2.2
281.08011	3.8
281.28421	1.8
283.06046	12.9
283.08911	2.1
293.15369	3.3
293.28433	8.3
294.20670	6.2
296.10468	3.8
311.05524	10.4
311.09015	3.0
311.12766	40.0
311.16458	14.8
311.29483	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	311.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.6
55.05514	26.2
57.07084	15.3
63.32722	1.9
67.05515	32.0
69.07074	75.8
71.04984	1.8
71.08620	5.4
79.05505	12.9
81.07064	100.0
83.04967	2.4
83.08624	39.1
85.06527	8.0
91.05470	4.2
91.84737	2.1
93.07040	13.1
95.04992	2.9
95.08614	94.4
97.06528	8.9
97.10175	25.7
99.08087	9.1
105.07029	8.6
107.08585	12.4
109.06519	3.8
109.10168	60.5
111.08104	4.9
111.11720	27.9
113.09692	2.4
119.08572	4.7
121.10150	7.6
122.03607	2.0
123.11718	39.4
125.05922	2.3
125.13261	20.6
133.10152	3.5
135.11707	6.7
137.05986	29.7
137.13269	30.8
139.11172	2.2
149.13237	12.1
151.14807	15.4
161.05991	6.0
161.13309	6.4
163.14803	4.7
165.01851	2.9
165.16380	6.9
169.15886	4.7
179.17996	3.3
181.33650	2.0
183.17474	3.2
187.07565	9.1
189.12769	6.6
190.07768	4.7
191.08604	14.0
191.10059	2.6
193.19547	4.5
204.07231	2.2
207.07964	2.6
215.10632	2.8
218.07278	3.0
219.08015	18.1
221.05867	2.2
236.08339	5.2
238.47789	2.1
239.06915	2.4
247.07626	6.4
251.10666	24.9
253.08682	2.8
253.72124	2.3
264.07828	3.5
265.08450	3.0
275.27386	3.7
279.10187	24.3
280.10654	2.3
281.07797	2.9
283.05994	8.2
293.18768	2.3
293.28421	22.5
296.10486	3.2
311.05417	6.1
311.09097	11.9
311.12762	34.3
311.16217	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01868	1.3
55.05516	38.6
57.03155	0.8
57.03443	15.2
57.07079	19.9
67.05515	6.6
69.03448	0.4
69.07073	44.5
69.72118	1.0
69.72522	1.9
71.05007	0.9
71.08640	10.6
79.05501	3.7
80.71552	0.5
81.07064	9.6
81.73282	0.5
83.04983	1.1
83.08625	37.0
85.06545	0.8
85.10190	4.8
93.07057	4.7
95.08614	8.4
97.06554	4.4
97.10177	27.8
100.96584	0.4
107.08601	3.5
109.10177	2.6
111.04428	0.9
111.08068	2.2
111.11730	8.3
121.10149	4.4
123.11707	2.0
124.18396	0.5
125.09647	1.9
125.13269	1.4
125.17110	0.4
135.04419	1.7
135.11690	3.8
137.13249	1.3
139.11220	0.6
149.13263	2.6
153.05406	0.6
153.12761	0.9
161.09625	0.9
163.14845	0.8
181.12170	0.5
209.11739	3.7
215.47542	0.4
219.21010	2.1
227.73416	0.6
232.28574	0.5
237.11273	3.2
237.22012	0.7
255.12383	0.5
283.06030	1.7
311.05466	1.1
311.25821	100.0
312.26169	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2583
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03945	2.5
55.05281	2.4
55.05521	36.0
57.03443	17.5
57.07082	24.2
60.84013	1.1
67.05511	8.2
69.07076	46.6
71.08639	11.1
71.52804	1.3
73.06579	1.1
76.95760	1.1
79.05496	5.6
81.07066	8.9
83.04989	2.7
83.08630	38.6
85.06563	1.3
85.10182	4.4
86.97381	1.0
91.05467	1.4
93.07030	5.7
95.08616	8.7
97.06529	4.3
97.10181	27.0
107.08604	4.3
108.07635	1.1
109.10165	3.8
111.04420	2.5
111.08086	2.3
111.11758	7.9
121.10155	5.0
123.11763	1.5
125.09653	1.9
125.13264	2.2
135.04437	8.6
135.11725	4.5
141.09183	1.2
149.13269	2.7
153.05511	2.5
161.09592	4.1
191.10645	1.8
209.11743	15.3
237.11243	12.4
255.12364	3.7
279.10184	1.5
283.06046	4.1
293.17398	1.4
293.21271	1.5
311.05612	2.0
311.25854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2582
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03935	1.2
55.01862	1.3
55.05515	40.3
55.36523	0.5
56.64987	0.4
57.03439	17.0
57.06790	0.9
57.07079	21.1
67.05506	6.2
69.07072	45.9
70.76485	1.2
70.76819	0.9
71.08635	12.6
73.02908	0.6
73.06532	0.6
79.05089	0.7
79.05485	4.2
81.07064	9.2
83.04977	1.1
83.08623	42.0
85.10190	5.1
91.05478	1.5
93.07038	5.1
94.04218	0.7
95.08616	6.2
97.06543	3.7
97.10177	28.3
105.07034	2.4
107.08621	3.4
109.06559	0.6
109.10158	2.6
110.19750	0.6
111.08079	2.7
111.11725	7.5
111.83458	0.5
121.10146	6.0
122.03648	1.7
123.11728	0.9
125.09631	1.0
125.13275	1.8
126.55472	0.6
129.06969	0.7
133.06517	1.3
135.04488	0.7
135.11710	3.2
137.05984	15.7
137.13298	0.9
139.11198	1.2
140.30447	0.5
144.05669	0.5
149.05980	1.1
149.13283	2.2
153.12782	0.6
155.04913	1.4
159.08083	1.6
161.06006	3.2
161.09647	0.5
163.14868	0.7
164.84618	0.5
172.05292	0.5
175.07535	0.5
183.08330	0.5
187.07524	5.0
189.06905	0.8
190.07758	3.7
191.08554	7.8
205.06407	0.6
207.08028	0.8
208.08885	1.1
209.11772	1.3
218.07314	2.4
219.05978	0.7
219.08069	11.3
219.21121	1.4
220.08772	1.1
229.07494	0.6
235.07687	0.9
236.08321	2.5
237.11156	1.1
247.07576	4.2
250.09921	0.5
251.10675	19.0
253.08536	1.0
261.09134	0.9
264.07864	1.7
279.10187	13.4
280.10825	0.7
281.08038	1.6
283.06183	0.6
283.13211	0.7
296.10440	1.1
306.65405	0.6
311.12799	12.1
311.25818	100.0
312.26019	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.1
55.05515	63.6
57.03443	17.0
57.07081	35.5
67.05511	33.8
69.07076	100.0
69.38734	26.1
71.05013	6.4
71.08640	17.7
79.05502	26.6
81.03420	6.1
81.07061	42.3
83.04993	6.8
83.08627	60.5
85.10191	7.8
91.05492	36.0
93.07051	86.3
95.04980	50.9
95.08618	83.6
97.06516	25.9
97.10173	30.3
98.21496	5.7
105.07041	63.5
107.04950	4.3
107.08603	53.6
109.06519	13.5
109.10158	32.3
111.04461	9.0
111.08144	4.1
111.11694	9.8
117.07034	15.0
118.74717	3.3
119.08594	60.2
121.06508	15.0
121.10143	44.1
123.08051	19.0
123.11689	16.3
129.07008	3.8
130.07796	5.8
131.08583	22.9
133.10132	35.1
135.04446	33.6
135.08061	4.1
135.11714	17.0
137.13179	3.6
142.07784	8.3
143.08565	9.1
144.09320	5.4
145.10123	30.5
147.11710	16.3
149.09579	5.3
153.05495	5.1
157.10179	19.4
159.11705	41.2
161.09610	34.8
161.13274	10.5
163.11189	4.2
169.10144	8.5
171.11693	11.1
173.13261	8.4
175.14841	11.5
177.16399	17.0
180.38791	3.8
185.13225	9.8
187.11264	4.8
187.14830	5.2
189.16373	14.1
191.10768	6.4
191.18005	4.1
195.11765	5.0
197.13232	7.7
201.16376	9.0
203.17815	4.3
209.11740	43.1
211.14867	4.7
215.18027	8.2
219.17474	5.0
225.16289	5.0
237.11212	34.9
237.16464	4.9
255.12297	7.5
255.21021	4.0
293.22552	3.8
306.66571	3.7
311.16177	19.9
311.26135	90.8
312.33054	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	311.222
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03945	5.8
55.01879	72.8
55.05277	2.3
55.05519	36.6
57.03446	4.4
57.07069	13.6
58.68080	2.1
67.05182	3.2
67.05511	43.0
69.03426	4.8
69.06781	1.9
69.07076	19.4
71.08634	6.3
71.52156	3.7
76.09550	1.8
78.78152	1.9
79.05501	30.2
81.03417	10.4
81.07067	39.9
83.04978	12.6
83.08624	14.6
85.06551	5.1
87.61027	2.0
91.05477	30.6
93.07049	27.0
95.04967	17.8
95.08618	27.9
95.16851	1.6
97.02885	2.8
97.06535	6.4
97.10177	13.0
99.04466	2.4
99.08079	5.8
105.07046	15.2
106.39570	1.9
107.04974	17.2
107.08610	16.6
109.02894	2.1
109.06517	9.2
109.10162	19.3
111.04454	9.9
111.08064	4.9
117.07015	8.1
119.08599	16.6
121.06501	8.1
121.10145	14.5
123.08057	9.0
123.11723	3.4
125.06010	5.2
125.09643	73.9
129.07013	2.6
131.08574	10.0
133.06477	2.7
133.10149	10.8
135.04433	100.0
135.08037	8.1
135.11707	7.5
137.05968	14.1
137.09621	17.8
139.11206	3.8
140.19873	2.0
140.57663	2.0
141.09126	3.9
145.06586	3.2
145.10121	8.4
146.07225	2.3
147.08029	3.4
147.11745	4.4
149.09637	4.8
149.13274	5.1
151.11194	17.9
153.05495	3.1
153.12720	2.3
157.06627	2.4
159.08118	2.7
159.11697	4.8
161.09641	48.0
161.13344	2.2
163.11166	6.7
163.14803	4.1
165.09070	3.0
165.12727	4.3
169.10075	2.7
169.12204	5.1
171.11641	2.2
173.13213	3.0
177.12807	15.1
180.53955	2.1
181.12259	7.7
183.11594	2.9
187.07536	3.2
189.04402	1.8
191.08655	4.6
191.10687	5.6
191.14326	4.1
195.13722	3.4
209.11751	28.1
213.05499	1.9
219.08038	5.5
229.19643	4.4
236.77101	2.0
237.11237	20.7
238.05902	1.7
239.17937	2.9
247.20537	6.5
251.10718	7.8
252.71199	2.1
255.12250	7.8
257.19043	9.8
265.21652	3.2
275.17215	3.8
275.20059	31.6
279.10034	7.8
283.06052	15.7
293.17813	4.4
293.21100	34.5
311.05432	12.1
311.12662	14.6
311.16251	5.0
311.25739	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	311.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30614	2.7
53.03943	7.5
55.01860	3.3
55.05516	56.5
57.03440	22.4
57.06872	2.4
57.07084	27.1
65.44802	2.8
67.05516	40.0
69.07075	89.1
71.05011	5.0
71.08620	8.9
71.44122	3.2
71.44477	4.4
79.05495	33.2
81.03436	5.5
81.07059	48.4
83.05004	3.1
83.08624	45.1
85.10191	5.7
91.05477	39.6
93.07050	100.0
95.04972	56.3
95.08613	91.4
97.06538	33.0
97.10184	29.2
105.07042	70.1
107.08603	51.6
109.06525	15.0
109.10157	37.2
111.11720	8.0
115.05452	4.3
117.07028	18.5
118.36869	2.6
119.08593	66.2
121.06509	21.4
121.10152	54.2
123.08112	23.2
123.11721	14.5
125.09630	3.5
129.07027	4.7
130.07813	5.3
131.08575	18.0
133.06458	3.6
133.10150	35.9
135.04427	6.4
135.08044	10.3
135.11710	16.0
137.09659	5.9
137.13284	6.6
142.07750	6.5
143.08597	13.1
144.09393	7.7
145.10130	36.7
147.11703	23.6
149.09631	4.5
149.13217	6.5
155.08542	3.4
156.09375	3.5
157.10155	23.7
159.08122	5.7
159.11696	47.7
161.09561	12.4
161.13300	11.8
163.11197	7.9
163.14783	2.5
169.10152	11.0
171.11699	15.9
173.13240	14.8
175.14871	12.4
177.16408	18.6
181.10123	4.9
183.11673	6.2
184.12436	2.8
185.13252	6.4
187.11246	4.1
187.14838	4.0
189.16383	13.6
193.10104	2.9
195.11667	3.6
196.50139	2.5
197.13248	5.0
199.14888	5.5
201.16396	10.6
203.17976	5.3
209.11763	10.1
209.13443	3.6
211.14862	7.4
213.16382	5.2
215.18015	9.0
219.17467	4.3
223.14876	5.5
223.70636	2.5
227.17924	3.5
237.11217	11.5
237.16444	5.6
255.21120	4.9
272.49213	3.0
283.24118	2.8
293.22668	7.4
311.16312	3.2
311.26248	73.1
311.31577	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	311.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07565	0.4
53.03956	0.4
54.97794	0.4
55.01854	1.2
55.05273	0.5
55.05518	6.2
57.03415	0.4
57.07081	4.0
64.97003	0.4
65.03938	0.4
67.05512	7.8
68.99787	0.5
69.03425	0.7
69.07082	2.9
69.16357	4.5
71.04973	0.5
71.08639	8.8
79.05492	4.5
79.69898	0.4
81.03429	0.5
81.07065	7.6
83.04969	1.5
83.08637	3.8
89.12858	0.5
91.05490	3.1
93.07052	4.1
95.04990	3.1
95.08150	0.4
95.08626	4.9
97.06539	1.0
97.10176	3.2
99.08106	4.9
105.07034	4.2
107.04976	2.3
107.08616	3.6
108.05746	1.0
109.02949	0.5
109.06524	2.4
109.10174	1.8
111.04456	3.0
117.07009	1.0
119.08581	1.7
121.06538	2.9
121.10138	1.2
125.05995	0.9
125.09647	2.7
131.08583	1.8
133.10164	1.9
135.04414	0.7
135.08116	0.9
135.11685	0.8
137.05988	0.7
141.09105	0.4
145.10143	1.6
147.08144	0.4
147.11696	1.3
149.13303	0.5
150.34157	0.4
151.11198	1.2
153.05493	1.7
159.11642	0.8
160.45782	0.4
163.11230	1.2
164.11958	0.7
165.01955	0.5
165.12775	3.3
173.13391	0.5
177.12723	1.2
181.12355	0.6
189.11272	1.3
191.10704	1.8
195.13742	0.5
209.11760	10.0
211.11230	0.4
236.14149	0.4
237.11255	9.4
255.12311	1.9
257.19168	0.7
263.94098	0.4
265.21722	0.9
275.20093	6.7
279.10159	0.5
283.06021	4.0
293.21140	100.0
294.21658	0.5
311.05441	3.1
311.12604	1.1
311.15945	0.8
311.25906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.03932	2.6
55.05515	72.0
57.03444	13.9
57.07077	23.5
65.03927	1.9
67.05508	26.2
69.03436	3.0
69.06732	2.6
69.07073	37.9
71.04977	1.9
71.08623	6.5
71.52711	1.5
71.53134	2.2
79.05497	8.5
81.07061	78.2
83.04973	3.0
83.08621	22.4
85.06542	2.7
91.05495	3.3
93.07044	17.2
95.04956	2.9
95.08608	24.4
97.06508	3.2
97.10175	19.0
107.08576	7.0
109.02834	1.8
109.10146	6.2
111.04450	4.4
111.11723	3.7
121.10160	8.2
123.11712	52.1
125.06007	2.1
125.09640	100.0
133.10107	1.6
134.06000	1.9
135.04439	6.9
135.11710	4.6
143.10675	3.4
149.13268	1.9
151.11215	2.5
153.05463	4.9
161.09595	5.4
163.14822	2.5
177.09573	1.7
187.13275	1.8
188.07098	6.5
189.07413	5.9
191.10655	4.0
209.11746	27.6
237.09079	2.1
237.11247	22.0
237.21971	1.9
239.44807	1.6
243.12193	2.0
255.12386	5.4
265.21732	6.6
290.77972	1.8
293.17392	3.0
311.18698	8.4
311.25839	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03937	9.6
54.32132	3.1
55.01873	4.1
55.05515	22.6
55.60479	2.9
57.03435	8.5
57.07058	7.7
58.06594	7.9
65.03942	3.4
67.05511	57.6
69.03422	16.3
69.07076	42.7
69.76540	12.0
71.04984	4.2
71.08629	5.8
72.08166	4.8
78.86435	3.3
79.05493	62.1
81.03421	19.8
81.06597	4.3
81.07063	76.9
83.04969	10.3
83.08626	24.5
83.33045	3.1
85.02899	12.4
85.06535	8.7
86.15319	3.8
91.05485	50.3
93.06488	6.0
93.07051	98.4
95.04959	13.2
95.08614	60.0
97.02895	6.9
97.06519	6.5
97.10178	17.1
98.20787	6.3
99.08073	5.3
105.03358	11.5
105.06406	3.9
105.07045	43.8
107.04940	11.1
107.08599	38.4
109.02887	6.8
109.06526	8.5
109.10151	30.8
111.04436	4.6
111.08086	8.1
111.11704	7.5
117.07008	11.8
119.08591	45.2
121.06463	7.0
121.10153	54.5
123.08034	7.1
123.11711	13.6
125.05971	3.7
125.09605	6.5
127.03939	3.7
129.06998	9.1
131.08580	18.1
133.10130	37.1
135.08037	5.6
135.11707	11.2
137.05991	23.0
137.13225	9.3
143.08614	3.7
145.06430	5.3
145.10117	13.0
147.08104	6.9
147.11732	15.7
148.07639	4.0
149.09631	100.0
149.13255	13.0
151.14751	4.1
159.11664	11.3
161.05966	3.8
163.11136	7.8
165.09189	4.1
165.12730	3.6
167.10686	15.8
173.11794	3.9
173.13260	6.8
175.03870	4.5
183.08118	5.4
187.07565	7.8
189.11230	3.7
191.08626	12.1
195.13757	3.4
216.16675	3.6
219.08064	14.8
230.27257	3.0
237.11163	3.5
239.18019	7.7
247.20494	4.2
247.33536	3.5
251.10568	22.0
257.18970	14.4
275.20078	91.4
275.27133	4.2
279.10291	15.5
293.13834	9.8
293.17838	3.2
293.21106	17.6
293.28262	4.1
311.09372	6.3
311.12787	21.8
311.15720	4.4
311.29300	5.2
312.18112	6.6
320.32254	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	311.2217
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.83582	0.9
53.03949	2.0
53.86188	0.8
55.01875	3.9
55.05518	5.6
57.03449	1.0
57.07080	26.3
58.80372	0.9
65.03921	1.0
67.05516	12.0
68.99794	2.1
69.03423	2.0
69.07082	4.9
70.06590	1.3
71.02796	1.0
71.04995	1.7
71.08612	1.1
71.52156	1.0
79.05505	6.0
81.03403	2.9
81.07069	12.4
83.04987	5.6
83.08608	3.4
89.96351	0.9
91.05489	10.9
93.07053	9.5
95.04969	3.0
95.08625	9.2
97.06538	4.1
97.10181	1.0
105.07027	9.4
107.04925	3.9
107.08591	6.2
109.02898	4.9
109.06511	2.2
109.10166	7.0
109.10804	1.4
111.04454	16.6
111.08092	2.2
114.80608	1.0
117.07022	2.0
119.08583	5.6
121.10141	5.8
123.08100	1.5
123.11668	1.2
125.06012	6.7
125.09655	1.0
129.07021	2.2
131.08563	4.8
132.72626	1.1
133.10130	8.9
135.04428	4.7
135.08118	0.9
135.11713	2.6
137.05949	2.1
137.09599	1.9
139.11191	2.5
141.09103	1.4
145.10101	4.5
147.08138	1.1
147.11693	2.5
149.02376	1.9
149.09622	3.5
151.11211	1.4
153.05493	17.1
155.10724	1.4
159.11739	3.0
163.03932	1.3
163.11185	5.0
165.01866	2.3
167.10709	1.0
171.11765	1.9
173.11757	3.6
173.13182	1.3
181.04953	3.1
181.12262	7.3
183.11656	1.2
189.12698	1.2
191.10661	11.5
193.04962	4.2
193.08601	1.1
195.10077	1.2
196.62546	1.9
197.13210	1.0
200.20010	1.1
209.11754	100.0
219.08214	1.4
219.10172	1.5
224.91663	1.0
237.11235	81.5
239.17966	1.5
251.10660	1.7
255.12315	21.0
257.19098	1.6
275.20087	11.3
279.10312	1.3
283.06003	8.9
284.06528	1.2
293.12155	1.0
293.17441	7.9
293.21097	5.4
311.05869	6.3
311.09125	3.2
311.12723	5.0
311.15991	3.1
311.19067	6.4
311.24390	10.1
311.74744	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	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03941	4.6
55.01879	28.6
55.05271	3.5
55.05517	48.6
57.03436	5.5
57.07064	3.7
67.05182	3.4
67.05514	45.6
69.03427	7.3
69.07076	24.2
70.36049	7.9
71.05000	15.7
78.41903	2.3
79.05071	4.3
79.05501	52.9
79.44077	2.1
81.03400	5.5
81.07064	73.2
83.04989	31.7
83.08625	32.4
84.37270	2.2
85.06534	3.1
85.09113	1.9
87.04479	2.7
91.05495	28.5
93.07059	39.2
95.04996	11.7
95.08611	29.2
97.06544	43.9
97.10177	38.1
99.08091	4.0
105.07050	29.3
107.04957	6.1
107.08607	100.0
109.06519	8.0
109.10152	13.7
111.04437	6.6
111.08086	8.2
113.06011	9.5
117.07030	7.8
119.08596	14.0
119.47057	2.1
121.06497	4.7
121.10138	12.9
123.08085	4.6
123.11707	4.3
125.06005	8.5
125.09647	78.1
129.07056	2.6
131.08575	14.2
133.10158	13.5
135.08049	7.3
135.11729	14.4
137.05997	13.2
139.11186	8.5
141.07082	3.4
143.08534	3.0
145.10168	18.1
147.11687	9.6
148.35944	2.3
149.09683	12.2
149.13278	4.4
153.12769	16.8
157.10120	4.3
159.08113	2.5
159.11684	16.0
161.13330	2.8
163.03499	2.1
163.11223	14.0
167.10782	5.1
169.10179	3.9
169.12270	3.4
171.10187	6.9
173.11894	2.6
173.13246	4.9
175.11180	2.7
177.12720	10.4
181.12256	11.5
183.11700	3.0
187.07649	3.6
187.11281	4.3
189.11223	36.7
189.12746	4.0
191.08662	3.4
193.12259	4.4
195.13791	2.9
205.12289	9.7
209.11673	3.3
211.13275	5.9
213.14897	6.7
215.07014	2.7
219.08089	5.6
223.13329	19.2
229.19499	3.3
239.17949	3.3
241.14452	4.2
247.07756	2.9
247.20596	3.3
251.10690	9.4
251.16316	3.0
257.19009	7.7
275.20081	88.3
279.10168	8.2
283.05957	11.2
285.89853	2.3
293.21152	86.1
296.10327	4.6
311.05508	7.5
311.12820	39.7
311.16339	3.6
311.22302	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	311.2218
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
51.07565	0.4
53.03956	0.4
54.97794	0.4
55.01854	1.2
55.05273	0.5
55.05518	6.2
57.03415	0.4
57.07081	4.0
64.97003	0.4
65.03938	0.4
67.05512	7.8
68.99787	0.5
69.03425	0.7
69.07082	2.9
69.16357	4.5
71.04973	0.5
71.08639	8.8
79.05492	4.5
79.69898	0.4
81.03429	0.5
81.07065	7.6
83.04969	1.5
83.08637	3.8
89.12858	0.5
91.05490	3.1
93.07052	4.1
95.04990	3.1
95.08150	0.4
95.08626	4.9
97.06539	1.0
97.10176	3.2
99.08106	4.9
105.07034	4.2
107.04976	2.3
107.08616	3.6
108.05746	1.0
109.02949	0.5
109.06524	2.4
109.10174	1.8
111.04456	3.0
117.07009	1.0
119.08581	1.7
121.06538	2.9
121.10138	1.2
125.05995	0.9
125.09647	2.7
131.08583	1.8
133.10164	1.9
135.04414	0.7
135.08116	0.9
135.11685	0.8
137.05988	0.7
141.09105	0.4
145.10143	1.6
147.08144	0.4
147.11696	1.3
149.13303	0.5
150.34157	0.4
151.11198	1.2
153.05493	1.7
159.11642	0.8
160.45782	0.4
163.11230	1.2
164.11958	0.7
165.01955	0.5
165.12775	3.3
173.13391	0.5
177.12723	1.2
181.12355	0.6
189.11272	1.3
191.10704	1.8
195.13742	0.5
209.11760	10.0
211.11230	0.4
236.14149	0.4
237.11255	9.4
255.12311	1.9
257.19168	0.7
263.94098	0.4
265.21722	0.9
275.20093	6.7
279.10159	0.5
283.06021	4.0
293.21140	100.0
294.21658	0.5
311.05441	3.1
311.12604	1.1
311.15945	0.8
311.25906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2219
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03949	4.5
53.44301	1.6
54.60925	1.8
55.01880	78.1
55.05515	43.9
56.28909	2.0
57.03441	5.3
57.07078	14.2
57.39166	1.8
57.62871	1.7
67.05513	43.1
69.03433	2.3
69.07077	22.6
69.70763	9.6
71.01369	2.3
71.04993	3.1
71.08631	6.4
72.04481	1.8
79.05502	23.2
81.03412	10.2
81.07066	38.7
83.04984	11.5
83.08596	11.0
85.06559	6.1
91.05486	22.2
93.07048	24.7
95.04981	15.0
95.08615	32.7
97.06545	6.0
97.10185	12.3
99.08057	4.4
105.07045	12.6
107.04959	15.1
107.08611	14.3
109.06533	8.0
109.10158	16.0
111.04464	10.6
111.08106	3.0
117.07033	6.0
119.08583	15.5
121.06522	7.8
121.10167	12.3
121.74772	1.9
123.08079	7.9
123.11697	2.5
125.06036	2.6
125.09638	100.0
131.08633	9.2
133.10143	7.8
135.04439	6.7
135.08072	12.6
135.11697	6.0
137.05992	6.4
137.09634	15.3
139.11172	4.5
141.07057	1.8
141.09103	2.1
145.10143	5.9
147.11723	2.6
149.09639	8.0
149.13240	2.9
151.11194	23.1
153.05505	4.9
153.12756	3.7
157.10213	2.8
159.11717	5.7
161.09651	6.0
161.13326	1.9
163.11185	7.0
165.01901	2.3
165.09204	1.9
165.12825	2.5
167.10722	4.4
169.12308	3.7
173.13338	2.9
177.09064	2.8
177.12790	16.5
181.12282	9.9
183.11760	2.5
187.11130	2.6
191.10686	5.5
191.14258	9.3
195.13824	8.2
209.11761	30.4
229.19571	5.4
234.46378	2.1
237.11211	23.8
247.07693	2.9
247.20667	5.3
251.10789	2.7
255.12311	6.7
257.18991	11.2
265.21811	2.1
275.20044	39.4
279.10202	3.6
283.05981	12.2
293.17795	2.9
293.21078	38.5
311.05496	7.6
311.12772	5.6
311.17480	2.6
311.25778	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	311.2219
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03945	5.7
55.01870	8.1
55.05319	2.7
55.05521	32.8
57.03432	14.2
57.07082	34.5
64.61491	3.0
67.05508	48.3
67.17524	2.8
68.34893	2.8
69.07072	34.0
69.97974	7.5
69.98399	10.2
71.04978	11.6
79.05502	33.7
81.03429	3.6
81.07062	66.0
83.04969	11.3
83.08636	16.4
85.06548	5.6
91.05487	33.3
93.07052	48.1
95.04991	5.3
95.08614	40.5
97.06561	18.3
97.10155	14.5
105.07043	29.9
107.04967	8.0
107.08605	26.8
109.06516	11.7
109.10139	19.6
111.04459	22.2
111.08073	12.9
115.07530	3.5
117.07018	13.2
119.08589	26.6
121.06560	5.6
121.10152	31.3
123.04426	4.8
123.08076	7.2
123.11700	5.8
125.06020	7.7
125.09650	12.8
129.07031	4.4
131.08597	19.2
133.10147	25.5
135.04434	13.3
135.08031	9.5
135.11731	7.9
137.05980	5.8
137.09628	8.6
139.11150	16.0
143.08633	3.6
145.10159	15.7
147.11688	11.6
149.09625	10.7
149.13138	3.3
151.07526	8.3
151.11212	3.7
153.05507	18.2
153.12819	3.5
155.43605	3.5
157.10144	4.2
159.11700	12.3
161.09660	3.0
161.13260	5.1
163.11211	16.0
165.01819	4.5
165.12775	4.3
167.10678	4.8
171.11728	6.6
173.13216	6.0
177.12793	3.7
181.12218	11.3
184.89885	3.0
185.13176	4.2
187.14804	3.1
189.11211	5.4
191.10710	11.3
197.13319	3.8
201.16350	4.5
203.12718	18.3
203.14436	5.1
209.06015	4.9
209.11739	100.0
211.07666	4.1
219.17444	3.7
221.15384	7.2
225.05441	4.8
226.06416	3.5
235.16983	5.0
237.11246	96.7
238.06314	7.3
239.18082	3.6
251.10738	4.6
254.05748	7.8
255.12361	25.4
257.19101	9.8
269.08109	12.4
275.20065	75.2
279.10007	5.8
283.06122	20.8
293.17493	9.9
293.21133	29.4
297.07584	14.9
298.20389	3.8
311.05768	15.8
311.08887	4.7
311.12677	23.6
311.18716	8.7
311.24527	9.2
312.09891	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	311.1967
Annotation	3beta,4alpha-Dihydroxy-13beta-methoxylupanine
Peak:m/z	Relative Intensity
55.01863	0.6
55.05513	0.9
58.06591	0.8
61.26073	0.6
67.05510	1.1
69.03423	1.1
69.07061	1.0
69.97029	2.9
70.06593	1.5
72.04523	3.0
72.08130	0.8
79.05496	3.2
80.05018	1.6
81.03431	0.9
81.07052	2.7
83.08647	0.9
84.04504	0.7
84.08130	1.3
85.02885	1.7
86.09678	1.0
87.05598	1.3
91.05453	2.6
93.07065	9.0
94.06561	1.0
95.04967	0.8
95.08585	1.9
96.04511	0.8
96.08136	1.2
97.02912	0.6
97.04002	0.6
103.05425	0.7
105.07039	2.8
107.04952	1.1
107.08598	2.5
108.08125	55.7
108.65158	0.6
109.06496	1.1
109.08379	0.5
110.06066	0.9
110.09663	1.5
111.04396	0.7
119.08595	1.5
120.08073	0.9
121.06514	1.2
121.08887	5.9
121.10151	2.0
122.03604	1.1
122.09693	7.4
123.10442	1.1
123.11736	0.7
124.07617	3.6
129.07065	0.6
129.10199	0.7
130.04977	1.4
131.04871	0.7
131.08580	1.0
133.02858	3.5
133.06520	1.2
133.10143	1.5
134.09644	1.9
135.10606	0.7
135.11703	6.0
136.11189	3.3
137.05994	8.0
137.13211	1.0
139.11296	0.8
141.10243	0.8
143.04495	1.2
149.06035	0.8
149.09601	2.5
150.11632	1.2
150.12788	16.1
151.13589	5.1
152.10669	0.6
152.14383	3.3
159.08075	0.8
161.05975	2.5
161.09604	0.9
162.12749	1.8
164.14366	23.4
164.15764	1.1
165.01709	0.6
165.07878	11.6
166.08623	1.9
166.15869	3.0
171.07990	0.7
175.07564	0.6
176.14305	0.6
178.15852	2.3
187.07570	2.9
190.07767	1.0
190.12219	1.5
191.08543	3.0
195.07745	0.8
206.15341	1.4
208.08781	1.0
208.13335	23.0
210.14854	4.7
218.07303	1.6
219.08046	5.1
221.16492	4.2
223.18040	12.4
224.03769	1.0
235.07549	0.7
236.08270	0.9
247.07504	2.3
249.15993	1.7
250.14398	11.9
251.10677	4.7
252.15889	1.1
253.08673	0.8
264.07733	1.3
265.19177	1.1
266.10126	0.9
267.17056	81.1
268.15323	1.3
269.18665	1.4
279.10217	5.2
283.05984	0.8
293.18408	1.4
294.17099	1.6
296.10358	1.1
311.12927	6.4
311.19669	100.0
312.17923	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01860	0.7
55.05497	1.0
55.42473	0.5
67.05495	0.9
68.68227	0.5
69.03416	1.2
70.02949	0.7
70.06571	1.5
71.02652	0.5
71.02965	0.7
72.04524	3.9
72.08141	1.9
79.05501	3.5
80.05016	2.1
81.07070	3.5
82.06598	1.3
84.08122	2.0
85.02910	0.7
86.09725	0.5
87.05574	1.4
91.05495	4.4
91.75494	0.5
93.05769	0.7
93.07050	6.0
94.06591	0.6
95.04960	1.6
95.08579	1.7
98.97558	0.6
103.05502	0.8
105.02731	0.7
105.03408	15.0
105.04440	0.8
105.07043	1.4
106.06550	1.0
107.04944	0.7
107.08625	2.6
108.08126	50.7
109.06541	1.3
109.10103	0.7
110.09673	1.4
119.08551	1.2
120.08063	1.3
121.08900	5.4
121.10126	1.5
122.03666	3.0
122.04379	0.6
122.09681	7.2
123.04394	1.2
123.10444	0.9
123.11684	0.7
124.07590	1.5
129.10216	0.6
133.02870	2.5
133.06497	1.2
133.10132	1.6
134.09641	2.0
135.10623	0.9
135.11708	8.1
136.01205	0.6
136.11246	3.5
137.05989	30.2
137.13257	0.9
141.10257	1.0
144.05666	1.0
145.27663	0.6
148.11191	0.6
149.06007	1.0
149.09604	1.6
150.12794	17.0
151.08723	0.7
151.13564	4.2
152.14355	3.0
155.04910	0.8
159.08018	1.2
161.05981	3.3
162.12796	2.8
164.14369	24.5
165.07874	15.0
165.09059	0.4
165.09265	0.6
166.08606	1.6
166.15901	1.4
172.05205	1.4
176.14389	1.1
178.05002	0.7
178.15958	1.9
179.11786	1.2
187.07570	11.1
188.08257	0.7
189.06975	1.3
190.07730	2.9
190.12277	1.3
191.08545	5.5
193.13226	0.8
195.07701	1.2
204.13780	0.8
205.06659	0.6
205.17104	0.7
206.15474	1.5
207.07974	0.8
208.08939	1.6
208.13351	26.2
210.14922	3.5
213.12387	0.8
218.07274	2.3
219.08073	10.4
220.08772	0.8
220.97655	0.7
221.05992	0.9
221.16522	4.6
222.14944	0.7
223.18044	11.4
233.09650	0.9
235.07556	2.0
236.08347	3.5
237.09067	1.0
247.07581	6.1
248.08324	1.2
249.16048	2.3
249.19661	0.9
250.10318	0.6
250.14403	11.2
251.10704	13.8
252.15930	1.1
253.08611	1.6
261.09021	1.9
264.07825	3.0
265.08655	1.1
266.31516	0.6
267.17065	100.0
268.07330	0.7
269.18646	1.8
270.08936	0.8
279.10193	17.0
280.10843	1.9
281.08206	2.6
283.09708	2.8
283.13281	0.7
291.03964	0.7
293.11722	0.8
293.18515	2.8
294.16968	1.6
294.26251	0.9
296.10507	3.7
311.12799	26.6
311.19662	80.5
312.16147	0.7
312.20032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01900	0.7
55.05517	1.4
58.06589	0.6
67.05508	2.1
68.36140	0.6
69.03416	0.7
69.07076	1.7
69.55058	3.7
70.06614	3.6
72.04527	3.2
72.08158	1.3
73.26234	0.6
77.86842	0.5
79.05505	4.2
80.05032	2.2
81.03408	0.7
81.07062	2.2
82.06602	0.6
83.04984	0.6
84.04521	0.8
84.08150	1.2
85.02914	0.8
86.09698	2.2
87.05604	1.8
91.05495	1.9
93.07053	9.2
94.04194	0.7
94.06573	0.7
95.08630	2.7
96.08154	1.1
97.02911	0.6
105.03395	1.0
105.07022	2.8
106.06531	1.0
107.05000	1.0
107.08627	2.8
108.08128	56.9
109.06504	0.8
109.10159	1.4
110.09696	1.6
116.81547	0.6
119.08575	1.9
120.08125	0.8
121.06522	0.6
121.08875	4.1
121.10158	2.1
122.03669	1.7
122.09686	7.2
123.11749	0.7
124.03981	0.8
124.07616	1.0
124.11309	0.6
129.06966	0.6
133.02843	1.8
133.06468	1.6
133.10146	1.1
134.09691	2.5
135.10555	1.1
135.11688	8.8
136.11255	3.8
137.06000	13.9
137.13248	1.1
141.10246	1.2
148.11273	0.7
149.09645	4.3
149.13263	0.6
150.12794	16.2
151.13605	4.5
151.14737	1.0
152.14336	2.9
153.12802	0.7
155.04875	1.0
159.07843	0.7
161.06007	1.8
161.13234	0.7
162.12813	2.3
164.14368	25.8
165.07880	14.5
166.08656	2.2
166.15897	3.1
178.15967	2.7
179.09456	0.6
179.14330	1.1
180.10298	0.7
180.13924	1.0
187.07556	3.0
190.07805	1.5
190.12260	2.1
191.08531	4.2
196.09746	1.2
204.13867	0.6
206.15411	2.6
208.08833	0.8
208.13344	23.4
208.16972	1.9
210.14915	12.2
213.12355	1.2
218.07332	1.0
219.08073	5.9
221.05913	0.7
221.16475	5.3
223.18062	11.5
235.07643	1.1
236.08298	1.6
247.07639	2.9
249.16068	2.4
249.19640	2.5
250.14413	11.0
251.10748	7.0
252.15962	2.7
254.09413	0.9
264.07828	1.3
265.19189	1.2
267.17072	100.0
268.15402	1.8
269.11771	1.2
269.18713	5.5
279.10172	8.3
281.08228	0.9
283.06274	1.0
283.09750	0.6
283.13412	0.7
293.18542	1.9
294.16949	2.1
296.10413	1.1
311.12955	9.4
311.19678	93.2
312.15918	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	311.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24867	0.5
53.03949	3.5
55.01873	1.1
55.05506	1.4
57.03431	2.0
58.06584	0.6
61.02919	0.6
62.38072	0.4
65.03938	1.2
67.05505	2.5
69.03432	10.5
69.07046	0.9
69.24789	0.4
70.96390	0.8
70.96751	1.1
71.04987	1.3
73.02921	0.5
77.03908	0.6
79.05499	20.3
80.33217	0.4
81.03424	19.8
81.07081	3.0
83.04988	0.9
84.08141	0.7
85.02908	8.4
87.46294	0.5
90.42420	0.4
91.04969	0.8
91.05484	7.7
91.87811	0.4
93.03410	2.9
93.07049	49.1
95.04964	2.4
95.08604	1.9
97.02895	4.4
97.06554	0.6
99.04469	2.3
105.04612	0.9
105.07041	7.5
106.07849	0.5
107.04956	3.3
107.08612	3.2
109.02879	8.6
111.04434	2.8
115.69315	0.4
117.03177	0.4
119.08598	1.9
119.73027	0.4
121.06518	1.1
121.10151	25.2
123.08072	1.0
125.05987	1.6
127.03912	4.0
130.06520	1.1
131.08537	2.8
133.07637	0.6
137.05997	3.5
137.36714	0.4
139.11183	0.9
145.04982	0.7
149.09630	100.0
150.09929	0.7
156.05678	0.5
158.06116	0.4
161.06026	0.6
163.03954	0.9
167.10696	10.7
187.07610	0.8
191.08588	2.0
219.08015	2.5
235.07448	0.6
236.08217	0.6
237.09122	1.5
247.07574	0.8
251.10735	3.0
253.08629	1.5
264.07950	0.4
265.08603	3.6
279.10056	3.1
280.10925	4.8
281.08151	2.8
293.13818	16.0
296.10403	2.8
311.09250	0.7
311.12805	5.8
311.15399	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	311.1493
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
51.40302	0.4
53.03947	4.1
55.01880	1.3
55.05521	3.6
56.50456	0.5
56.50743	0.5
57.03447	2.4
58.06602	0.9
61.02935	0.7
65.03939	1.1
65.20726	0.6
67.05507	4.1
69.03090	0.8
69.03440	11.5
69.07068	2.9
69.49140	3.9
70.06614	0.6
71.04987	1.9
73.02929	1.3
79.05500	25.0
81.03429	18.0
81.07063	5.1
83.04982	2.1
85.02917	10.3
91.05482	9.7
93.03425	2.8
93.07053	61.6
95.04988	2.5
95.08614	2.7
97.02910	4.1
97.06548	0.6
97.10179	0.9
98.21463	1.1
99.04449	2.8
99.68074	0.5
103.05468	1.2
105.04500	0.7
105.07058	8.3
107.04980	3.8
107.08616	4.5
109.02886	9.2
111.04462	3.8
119.08598	3.4
121.06498	0.7
121.10156	33.9
123.08076	1.3
125.06007	1.9
127.03941	5.7
129.07007	1.0
131.08583	5.4
133.07619	0.6
133.10143	0.9
135.11755	0.7
137.06006	6.6
139.11172	1.6
145.06531	1.6
145.10146	0.8
147.08051	1.0
149.09636	100.0
150.10010	0.6
157.06439	0.6
157.12354	0.8
161.06046	0.8
161.09583	0.6
167.10703	12.9
187.07556	1.5
190.07858	1.1
191.08618	1.7
219.08105	2.2
239.83562	0.5
247.07590	1.4
249.08855	0.5
251.10619	3.1
253.08704	0.7
253.85078	0.6
265.08582	0.7
279.10245	2.9
280.11139	0.8
281.08185	0.8
293.13913	13.5
293.17154	1.1
296.10446	0.9
311.09360	1.3
311.15381	8.7
312.17807	0.6
317.88986	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Porphine
Peak:m/z	Relative Intensity
51.47853	1.2
55.01875	2.5
61.26348	1.2
69.79586	3.3
69.79982	2.3
74.36208	1.1
74.52791	1.2
79.05479	3.2
81.03423	1.8
81.07056	1.7
87.17009	1.3
91.05484	5.1
93.07030	2.5
94.04207	2.9
96.45599	1.2
98.21405	2.3
103.05440	2.3
105.07047	6.3
107.04951	1.7
109.06501	5.0
115.05444	2.5
121.06497	2.1
121.10162	2.1
122.03678	8.9
128.06155	1.9
129.06995	5.0
131.04941	1.9
131.08534	1.7
133.06474	4.4
137.05988	95.8
144.05725	2.5
149.06020	6.7
155.04915	7.1
159.08057	7.7
161.06015	11.9
165.01816	2.0
165.06998	4.0
172.05199	3.5
175.07507	2.5
183.94135	1.2
186.06525	1.2
187.07541	27.5
189.07054	5.5
190.07776	21.2
191.08560	50.5
193.06401	1.4
202.07756	3.1
205.06532	2.9
207.08008	6.1
208.08836	7.4
217.06459	1.4
218.07280	13.3
219.08063	68.6
220.08798	7.5
225.09117	2.9
229.07698	1.9
232.80113	1.2
235.07542	9.5
236.08360	12.3
237.09048	2.3
246.06744	2.2
247.07574	27.6
248.08229	3.8
249.08974	1.3
251.10692	87.1
253.08603	8.6
261.09131	2.9
263.07162	1.7
264.07843	11.1
265.08569	4.1
267.10135	1.8
268.11102	2.0
279.10178	77.3
280.10947	6.3
281.08139	14.2
283.06088	7.9
283.08948	1.7
283.13196	2.6
296.10489	13.2
311.05359	5.6
311.12772	100.0
334.89920	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1492
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
51.02380	0.4
52.21058	0.4
53.03958	3.4
55.05503	1.5
57.03448	1.9
58.06594	1.7
61.02928	0.6
65.03936	1.3
67.05511	3.3
69.03084	0.7
69.03437	9.5
69.07069	0.8
69.85229	2.2
70.28769	0.4
71.04998	0.8
79.05503	23.1
81.03430	12.0
81.07071	2.7
83.04971	0.9
84.08115	0.4
85.02438	0.8
85.02917	9.5
91.05493	9.0
93.02914	0.4
93.03403	2.7
93.07055	50.0
95.04993	2.0
95.08597	1.6
97.02917	3.4
97.06578	0.6
99.04471	1.6
103.05500	1.0
105.04550	1.0
105.07040	5.3
107.04967	3.2
107.08606	2.2
109.02898	5.4
109.06493	0.4
111.04460	4.5
119.08585	1.8
121.06518	1.3
121.10159	26.3
123.08038	0.7
123.11699	0.6
125.05976	1.2
127.03939	3.4
128.06209	0.4
129.07040	0.6
130.06532	0.7
131.08586	3.4
136.67142	0.4
137.05988	3.2
139.11185	0.9
145.04880	0.5
147.08066	0.8
149.09637	100.0
150.10002	0.6
167.10687	10.1
170.97987	0.4
187.07629	0.9
190.07751	0.6
191.08548	0.5
191.31737	0.4
218.07414	0.5
219.08046	1.4
236.08344	0.7
237.09111	1.2
247.07562	1.0
251.10686	1.8
265.08649	2.1
279.10147	2.0
280.10983	3.5
281.08136	2.3
293.13879	10.3
296.10428	1.9
311.12350	2.2
311.14969	5.5
312.15555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1282
Annotation	Porphine
Peak:m/z	Relative Intensity
53.03949	2.5
53.61798	0.7
55.01881	1.9
55.05516	1.1
57.03444	1.3
58.06618	4.6
61.31995	0.7
65.03961	1.1
67.05515	3.2
69.03441	5.9
71.52536	1.5
72.08155	1.5
72.60193	0.7
76.42068	0.7
79.05501	15.0
79.05967	0.9
81.03429	8.6
81.07062	4.6
85.02908	5.8
91.05492	9.5
93.03426	1.1
93.07054	29.7
94.04195	4.2
95.05005	2.1
95.08609	2.1
96.41506	0.9
97.02914	2.4
97.10179	0.8
99.04498	0.9
103.05499	2.4
105.03436	0.9
105.07045	11.9
107.04963	4.3
107.08621	3.7
109.02901	4.4
109.06508	5.7
110.07256	0.7
111.04482	1.7
111.08122	0.8
115.05482	2.3
116.06194	0.8
117.07065	1.2
117.69026	0.7
119.04926	1.2
119.08607	2.8
121.06516	2.5
121.10159	21.9
122.03680	10.3
123.04462	1.4
123.08115	0.9
127.03962	2.5
128.06242	2.0
129.06970	4.2
130.06563	0.9
131.04944	2.8
131.08627	4.0
133.06509	6.1
137.05992	100.0
139.11192	0.9
143.04962	1.3
143.06058	0.9
144.05711	3.4
145.06485	1.0
147.04431	2.7
147.08075	0.9
148.04851	1.0
149.05046	1.2
149.06032	6.3
149.09639	43.1
151.03854	1.0
151.07527	1.6
155.04915	8.6
155.06099	1.2
156.05743	1.4
157.06485	0.8
159.04446	0.9
159.08076	8.6
160.05269	0.8
161.06001	16.8
161.07275	1.3
162.07622	0.7
165.07027	2.9
167.10654	4.6
171.04448	1.7
172.05238	3.1
175.07574	3.0
178.07857	0.9
179.08598	2.3
180.09348	1.7
187.05876	1.7
187.07568	32.8
189.07018	4.5
189.08788	0.8
190.07784	23.5
190.09506	1.3
191.08577	49.8
193.10315	0.9
194.23167	0.9
195.08073	0.9
201.05324	1.2
201.07019	1.5
202.07777	1.9
203.08609	2.1
205.06540	2.9
207.08122	5.2
208.08827	7.2
208.44931	0.8
217.06589	1.6
218.07298	16.3
219.08076	65.0
220.08841	6.8
221.06046	3.1
223.11183	1.3
225.09122	2.7
229.07607	2.3
231.08102	1.3
233.09703	2.6
235.07550	9.2
236.08344	15.8
237.09059	4.6
238.05966	0.8
246.06792	2.6
247.07556	28.3
248.08351	4.1
249.05489	1.8
249.09116	1.5
250.09834	1.3
251.10703	92.2
252.10828	1.3
253.06238	1.1
253.08620	8.2
261.09134	3.5
263.07043	3.0
264.07828	9.9
265.08636	8.6
267.10321	1.4
268.10971	1.2
279.10187	84.1
280.10883	11.4
281.08163	12.5
281.11148	1.0
283.09729	1.1
283.13306	2.6
293.13950	5.2
295.09775	1.7
296.10437	13.8
302.17010	0.8
311.12756	97.1
312.13165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Porphine
Peak:m/z	Relative Intensity
52.32428	0.8
53.03941	4.8
55.01862	1.4
55.05500	2.3
57.03415	2.1
58.06591	1.6
61.02896	1.1
65.03918	1.2
67.05482	3.5
69.03439	12.1
69.07037	1.2
70.29119	2.8
71.05003	1.1
79.05080	1.5
79.05498	23.4
81.02985	1.4
81.03419	18.3
81.07061	6.0
85.02905	10.9
91.05485	11.0
93.03378	3.4
93.07049	57.2
94.04192	2.3
95.04942	3.2
95.08589	2.4
97.02885	6.8
99.04421	2.2
100.53251	0.8
103.05441	1.8
105.03385	1.3
105.07040	12.4
107.04980	4.5
107.08559	3.4
109.02876	8.2
109.06503	3.9
111.04398	3.8
111.08079	1.2
115.05444	1.5
118.04085	0.8
119.08557	1.6
119.74646	1.2
121.06467	1.6
121.10155	32.9
122.03661	6.2
123.11602	0.9
127.03931	4.7
128.06215	2.1
129.06969	3.9
131.04938	2.0
131.08527	3.8
133.06450	4.1
137.05984	73.4
139.11214	1.1
140.60254	0.9
144.05676	2.1
145.06509	1.5
149.06004	4.6
149.09628	100.0
151.07518	1.3
155.04935	5.2
156.05658	1.0
159.08055	6.6
161.05983	12.5
165.06912	2.1
167.10684	8.7
172.05200	1.8
173.09572	0.9
175.07553	2.8
178.07648	1.2
180.09334	1.6
186.06607	1.1
187.07556	22.6
189.06958	4.1
189.08882	1.3
190.07791	14.8
191.08562	38.8
202.07713	1.0
205.06433	2.3
207.08119	5.1
208.08800	5.0
216.53186	0.9
218.07286	12.2
219.08061	50.9
220.08784	6.9
221.05959	2.0
223.11063	1.5
225.09001	1.4
233.09671	1.7
235.07538	6.6
236.08305	11.1
237.09175	7.0
238.06169	1.2
246.06845	1.6
247.07587	18.8
248.08075	1.6
249.05548	1.1
250.09784	1.3
251.10684	73.2
253.08571	6.9
261.09045	2.7
263.07007	1.9
264.07849	7.4
265.08572	11.1
267.10132	1.3
279.10181	60.6
280.10919	14.6
281.08136	11.3
281.11032	1.9
283.09396	1.1
293.13879	15.7
295.09534	1.5
296.10443	15.3
311.12662	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.128
Annotation	Porphine
Peak:m/z	Relative Intensity
50.57784	0.7
53.03926	1.2
55.01863	1.5
55.05500	0.8
56.41323	0.7
67.05508	1.2
69.03407	0.8
70.49078	1.5
75.07620	0.7
78.96513	0.8
79.05507	4.3
81.03423	1.5
81.07047	2.4
85.02908	1.1
91.05475	5.8
93.07043	1.3
94.04204	3.6
95.04971	1.4
98.97578	1.1
103.05465	2.8
105.03410	1.8
105.07043	8.5
107.04973	3.9
108.08067	1.0
109.06530	4.3
112.88364	0.8
115.05460	3.1
116.06247	1.3
117.03380	1.1
121.02886	2.2
121.06513	1.7
121.10155	0.9
122.03655	12.2
128.06235	1.1
129.06146	0.8
129.06967	3.7
131.04973	4.3
131.08585	1.4
133.02858	14.2
133.06514	7.9
135.04460	4.1
136.61855	0.8
137.05991	100.0
143.06015	0.8
143.49651	0.8
144.05716	3.0
145.06491	1.2
149.02332	2.8
149.06000	5.6
149.09654	1.0
151.07539	1.7
155.04959	9.6
155.06088	1.6
156.05713	1.6
158.99629	0.8
159.08063	8.3
161.02371	0.9
161.06003	19.1
162.87282	0.8
165.05525	2.6
165.06990	2.1
167.03433	1.4
171.04449	1.0
172.05229	2.8
175.07565	3.4
177.01833	4.3
179.08551	1.1
180.09375	1.9
181.06595	1.3
187.07555	31.0
189.07007	5.7
189.09192	1.2
190.07794	19.8
191.08574	49.8
192.09247	0.8
193.06570	0.8
194.07314	1.0
195.08090	1.3
197.09579	1.1
201.07048	2.3
202.07806	2.5
203.08638	1.9
205.06520	3.0
207.08046	4.5
208.08839	6.5
217.06647	1.4
218.07278	14.0
219.08073	65.7
220.08771	5.4
221.05975	2.2
223.11276	1.0
225.09067	0.9
231.08037	1.4
233.09605	2.2
235.07538	8.7
236.08327	14.4
237.05510	0.8
237.09143	2.2
241.40271	0.9
246.06738	1.0
247.07561	27.9
248.08246	4.5
249.05594	1.4
249.08913	1.5
251.10692	88.7
252.11000	1.7
253.08589	6.0
261.09027	4.2
263.07104	1.9
264.07788	9.9
265.08569	4.3
266.05942	0.8
268.10941	1.6
268.15488	1.5
279.10199	77.4
280.10907	4.1
281.08148	10.1
283.06082	4.3
283.09497	1.3
283.13458	1.5
293.11581	1.3
295.09705	1.1
296.10413	10.8
311.05557	57.4
311.09494	3.4
311.12781	94.0
312.13065	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.8
53.03717	1.2
53.03954	17.1
54.38366	0.5
55.01878	5.0
55.05280	0.8
55.05519	11.7
57.07088	5.2
59.04989	0.9
67.05181	1.0
67.05511	14.4
69.06727	0.8
69.07079	11.3
71.08617	1.6
71.52590	0.7
72.04515	0.8
72.08167	26.1
74.09706	1.1
77.80709	0.5
79.05070	0.8
79.05507	12.4
81.03427	52.2
81.07067	13.7
83.04989	6.9
83.08156	0.8
83.08628	14.6
85.10162	0.9
91.05494	5.4
93.07063	5.9
95.04374	1.0
95.04980	20.5
95.08627	12.5
95.85522	0.5
97.10183	7.3
105.07050	5.3
107.08602	6.4
109.06501	1.7
109.10172	4.7
115.11227	3.1
119.08591	5.2
121.10133	2.2
123.08080	1.9
123.11734	1.3
129.02235	0.6
133.10107	3.9
135.11650	1.1
137.09592	1.0
137.13248	1.0
147.11668	2.0
151.11217	0.7
193.19507	0.6
203.17923	3.1
221.19040	41.6
267.96262	0.5
279.10114	1.1
292.26376	100.0
293.26620	0.8
310.11270	1.1
310.27563	7.3
310.30957	1.7
311.12915	1.2
322.45914	0.6
334.05923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1281
Annotation	Porphine
Peak:m/z	Relative Intensity
50.42063	0.6
53.03954	1.3
55.01876	2.0
55.05527	0.7
57.03446	0.8
67.05509	1.2
69.03425	1.3
69.07058	1.0
70.80499	1.9
76.93203	0.7
79.05504	5.7
81.03430	2.0
81.07065	4.7
82.43481	0.8
83.04987	0.7
85.02920	1.6
86.09730	0.6
91.05481	5.8
93.03463	0.7
93.07063	6.3
94.04208	3.9
95.04993	1.1
95.08620	0.8
97.06520	1.0
103.05465	2.1
105.07041	8.8
107.04987	3.2
107.08593	0.6
109.02893	1.0
109.06528	5.8
109.10190	1.0
111.04465	0.9
115.05466	2.9
117.07043	1.0
119.08598	1.0
121.06510	2.7
121.10150	2.7
122.03672	10.2
128.06244	2.6
129.07047	4.5
131.04941	2.6
131.08618	1.6
133.02876	0.8
133.06500	6.1
133.10150	0.8
135.04456	2.4
137.05992	100.0
144.05708	4.1
145.06496	1.6
146.03688	1.0
147.08113	0.7
149.06041	5.2
149.09653	8.2
151.07588	1.6
155.04930	6.6
155.06049	1.3
156.05740	1.2
159.08058	9.0
161.05998	15.0
163.03963	0.9
163.07472	0.7
163.32817	0.7
165.01900	1.3
165.07016	3.1
167.06993	0.8
167.08426	0.8
171.04437	1.5
172.05225	2.4
175.07559	4.2
179.08539	1.6
180.09404	1.2
187.07564	33.6
189.07045	6.7
189.09111	1.7
190.07802	23.7
191.08572	57.2
192.09265	0.8
193.06450	1.1
193.10129	0.9
194.07277	1.0
197.09650	0.7
201.07033	2.2
202.07828	2.3
203.08638	1.2
205.06471	3.3
205.10170	0.9
207.08080	6.1
208.08859	8.3
211.07608	0.8
217.06575	0.8
218.07292	16.1
219.08080	64.4
220.08838	7.6
221.06119	3.4
221.09479	1.2
223.11197	1.3
224.08337	0.8
225.09174	1.4
229.07584	2.8
231.08055	1.2
233.09726	3.1
234.06631	0.8
235.07570	9.3
236.08340	15.2
237.09160	2.4
246.06860	2.2
247.07570	27.3
248.08415	3.5
249.05591	1.5
249.09151	1.9
250.09991	1.0
251.10699	93.5
252.11028	1.6
253.08658	6.7
261.09192	3.9
263.07013	2.1
264.07849	9.0
265.08572	3.6
267.10229	1.2
268.10822	1.9
277.08453	0.9
278.09488	1.4
279.10184	80.0
280.10876	4.3
281.08130	9.0
283.06219	3.1
283.13297	2.1
293.14151	1.1
295.09671	1.6
296.10464	10.5
311.05478	4.1
311.12799	85.9
312.13110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.1
55.05493	2.5
56.05035	1.1
57.03436	0.7
57.07056	1.3
58.06591	1.1
67.05490	1.4
68.05813	0.9
69.07077	10.2
70.06590	1.0
70.07428	1.0
71.04963	0.8
71.52235	0.7
71.52628	1.0
72.08138	1.4
79.05479	2.8
80.04992	0.7
81.03425	0.8
81.06643	0.7
81.07063	5.6
82.07380	1.4
83.08613	2.2
84.08143	1.0
84.08942	0.8
85.02889	0.7
85.06516	0.6
86.09693	2.4
91.05468	1.1
93.07047	5.3
94.06550	1.1
94.07364	1.1
95.08619	5.7
96.08134	1.1
96.08935	1.2
97.06525	2.6
98.09702	1.3
98.97564	1.1
105.07023	2.7
106.07356	0.8
107.08572	2.9
108.08128	12.1
109.02901	0.9
109.08921	0.7
109.10124	2.5
110.09667	2.5
110.10436	1.1
111.08058	1.3
115.07523	0.8
119.08588	1.5
121.10126	1.4
122.09676	8.2
123.08100	0.7
123.10429	1.6
123.11710	2.1
124.11982	0.9
133.06487	0.7
133.10167	1.1
135.11691	2.8
136.11192	2.5
137.05965	1.5
137.13269	1.9
150.11647	1.4
150.12785	18.0
151.13576	7.6
152.14362	3.8
153.12802	1.1
164.14325	1.1
166.15904	2.7
180.10321	0.9
180.13840	1.2
190.07880	0.8
191.08530	0.9
192.17505	1.0
194.11844	1.1
198.44638	0.6
200.98553	0.7
210.14882	2.5
212.16557	2.3
219.08076	1.1
220.20610	2.5
232.52902	0.7
236.16441	2.6
238.21677	1.6
251.10590	1.6
264.19553	1.2
264.23520	0.7
266.21173	100.0
267.21466	1.2
268.22775	4.1
269.10565	1.4
279.10126	3.0
282.24240	1.3
283.06070	1.1
287.11819	1.1
290.09872	0.7
292.27002	1.3
310.07938	2.2
310.11563	3.9
310.23779	86.1
311.05450	1.2
311.12753	2.6
311.16370	1.3
311.24060	1.1
321.61404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15930	0.3
51.56603	0.4
53.03946	0.4
55.05516	6.2
57.07079	10.3
58.06600	0.4
59.04992	0.9
67.05509	13.4
69.03435	25.8
69.07073	7.4
70.02652	1.6
70.06583	1.7
72.08160	0.6
74.06075	0.8
74.09723	1.3
79.05495	3.1
81.07061	72.3
83.05001	0.9
83.08613	1.8
87.04470	1.2
91.05480	1.2
93.07052	5.5
95.04958	1.2
95.08611	18.4
98.06063	14.7
98.21424	0.5
100.07651	0.5
105.07014	1.5
107.08571	1.1
109.06512	1.0
109.10183	0.8
112.07629	1.6
113.52448	0.3
121.10231	0.5
123.11713	100.0
124.12077	0.5
125.13271	0.5
125.42622	0.4
126.12797	1.4
130.12270	0.9
133.10141	1.6
134.06131	0.3
140.10681	1.8
146.91310	0.4
151.11176	2.1
154.12268	2.7
155.13129	0.4
159.33659	0.4
168.13872	1.5
176.30946	0.4
192.52071	0.5
209.15382	13.9
224.20082	4.9
255.15918	3.3
310.23773	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
55.05514	4.4
55.22294	0.4
55.65479	0.4
57.07058	0.7
67.05511	13.1
68.02647	4.0
68.05024	0.4
69.03432	0.5
69.05807	0.8
69.07072	18.0
69.44140	0.4
70.30662	1.5
71.07384	0.5
72.08159	4.1
79.05495	2.9
81.03419	0.5
81.07064	17.6
83.08624	3.1
90.09209	3.0
91.05457	1.3
93.07038	1.8
94.37926	0.4
95.04953	0.9
95.08616	32.3
96.04492	0.5
97.05300	3.4
97.06510	0.6
105.07038	1.1
107.08559	1.0
109.06485	0.6
109.10173	7.1
109.10870	0.3
114.09164	2.2
115.07555	1.0
119.08602	1.8
121.10124	1.0
132.10194	0.9
133.10112	0.9
135.04384	0.4
135.11671	1.0
137.09647	0.7
139.09933	23.7
140.10739	0.5
150.64592	0.4
151.14827	0.7
156.88388	0.5
161.13266	1.4
162.30357	0.4
179.14310	3.5
193.82541	0.4
250.21687	100.0
251.19868	0.8
251.22179	1.1
268.22733	7.8
299.82373	0.4
310.23917	2.8
310.31003	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.05517	10.1
55.23671	0.8
56.05021	2.6
57.03425	2.7
57.07082	37.9
67.05194	1.0
67.05515	13.2
69.03414	1.1
69.07068	6.8
69.85500	3.0
70.06578	4.0
70.95069	0.7
72.08150	2.5
72.15771	0.8
74.06088	11.9
74.09729	4.8
77.03915	1.1
79.05068	1.5
79.05503	21.6
81.07065	68.0
83.04962	2.1
85.06559	1.2
90.65394	0.9
91.05492	15.4
93.07054	100.0
95.04974	4.0
95.08615	9.0
98.06065	35.0
100.07623	1.0
103.05485	1.6
105.02725	1.3
105.03405	17.6
105.04493	1.2
105.07046	5.9
107.08606	15.3
109.10159	5.6
110.06005	1.2
112.07611	1.8
112.11228	1.7
119.08639	1.4
121.06515	12.8
121.10155	50.3
123.08101	1.3
123.11720	68.8
126.12807	2.9
130.12271	4.8
131.08594	7.5
134.06001	1.2
134.10547	1.1
137.09615	2.3
139.11107	1.1
140.10689	1.2
149.09645	29.4
154.12283	18.9
165.08382	1.0
166.12311	3.3
167.10681	3.0
188.07080	6.4
189.12714	2.4
210.18555	70.1
222.18555	37.5
225.80812	1.0
240.19608	59.8
242.11757	7.9
250.20766	1.8
275.53043	0.9
310.17947	3.1
310.23785	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
53.55583	0.9
53.77797	0.9
55.01868	3.7
55.05516	9.1
55.17050	0.9
57.03434	2.0
57.07085	6.5
58.06601	2.1
60.04517	3.6
65.03941	2.2
67.05513	35.4
68.06279	1.6
69.03427	2.1
69.07070	3.8
71.03998	1.8
71.07380	2.4
72.08160	37.0
79.05070	2.1
79.05501	28.0
81.03429	8.7
81.07064	17.9
82.06612	0.9
83.04990	1.4
83.08608	1.9
85.06560	2.0
86.06082	1.3
91.05485	27.4
93.06489	1.4
93.07053	23.9
94.04170	1.9
95.04971	8.5
95.08620	12.6
105.07040	18.9
107.04975	10.6
107.08599	9.3
109.02912	1.7
109.06557	1.7
109.10168	6.7
115.05471	1.3
117.07024	4.3
119.08588	20.9
121.06505	7.9
121.10129	5.0
123.08048	2.2
124.07719	1.1
124.96265	1.0
128.06241	1.9
129.06976	3.9
131.08578	4.2
133.06546	6.5
133.10143	13.8
135.08072	2.5
135.11714	10.6
137.05992	1.5
143.08582	5.7
145.06500	1.3
145.10158	2.3
147.08049	7.0
147.11661	3.8
152.10706	1.2
153.47559	1.1
157.10059	1.0
159.11716	1.9
161.09625	6.5
161.13277	2.9
163.12978	0.9
165.07045	3.1
165.09117	1.1
165.11540	5.6
167.13087	1.4
171.08032	1.6
173.13286	2.5
175.14856	9.0
179.08588	2.9
180.09402	1.4
185.13257	3.5
189.07066	2.3
189.09116	3.4
190.07779	9.3
191.08571	80.4
192.09248	1.0
193.06476	1.5
193.12354	1.2
201.12666	1.3
203.14354	8.7
205.10136	2.5
207.08083	6.8
208.08842	4.6
208.11147	2.4
217.08862	1.5
218.09648	18.3
219.08101	68.0
219.10393	7.4
220.08740	6.0
220.79349	1.0
234.09210	4.8
235.07616	1.5
235.09868	2.0
236.08389	10.4
236.10695	100.0
237.11070	1.6
251.10683	30.5
260.16501	3.6
265.08606	1.5
268.13382	2.2
274.21671	41.9
278.11798	50.2
292.19113	17.6
292.22720	66.0
296.12756	1.7
310.11032	1.8
310.14380	18.1
310.20300	2.3
310.23712	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	310.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
53.03959	3.4
55.01862	0.4
59.15479	0.3
69.07078	13.7
70.68610	0.4
70.68957	0.8
77.03910	1.8
91.05485	2.9
93.07061	6.0
95.04988	3.0
103.05474	4.1
105.03404	100.0
121.06519	60.8
122.06054	0.8
133.06543	0.8
147.08086	0.5
148.07568	0.3
161.09651	1.8
189.12770	12.3
221.94035	0.3
225.09183	0.8
242.11790	34.3
276.60547	0.4
278.09180	0.6
292.10602	0.8
310.11609	1.1
310.18100	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
55.01865	7.6
55.05276	2.0
55.05517	22.0
57.07072	3.8
58.06599	5.3
65.03947	2.5
66.04716	3.9
67.05511	50.1
67.28395	1.7
69.03438	4.8
69.07063	6.0
70.06602	4.7
71.05001	4.1
71.07375	6.9
71.52519	2.7
72.08163	66.5
74.54926	1.9
79.05070	3.5
79.05503	46.3
81.03430	11.3
81.07071	23.8
81.57111	1.8
81.99345	1.9
83.04993	4.1
83.08619	2.1
85.06551	3.0
89.40460	1.8
91.05491	35.4
93.07064	28.1
94.04177	3.6
95.04968	13.2
95.08604	16.4
103.05457	2.6
105.07041	33.5
107.04975	21.8
107.08617	20.0
109.06508	2.5
109.10160	7.8
117.06995	5.4
119.08598	24.4
121.06520	3.9
121.10161	8.9
123.08079	3.6
129.07033	5.9
131.08566	7.3
133.06558	11.2
133.10152	18.7
135.08043	4.4
135.11722	11.8
137.06027	2.2
139.09918	2.7
143.08572	3.7
145.06572	2.2
147.08063	6.5
147.11691	11.8
161.09613	3.9
161.13261	4.6
165.11571	10.1
165.12799	1.8
175.14868	11.6
175.16092	2.0
185.13182	4.3
203.14275	11.1
246.18631	11.0
264.19507	3.0
274.21677	65.4
292.19302	7.0
292.22708	100.0
310.11292	5.2
310.23831	17.9
310.27213	2.8
312.66211	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	310.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03429	2.8
57.07080	5.1
58.06604	9.6
61.02925	4.0
67.05514	7.7
69.03435	7.2
69.07055	0.9
71.04996	6.3
71.25010	1.2
73.02913	2.2
75.91476	0.6
77.53822	0.6
78.01810	2.3
81.03409	2.2
84.04498	1.1
84.08146	1.6
85.02914	35.4
85.06549	3.9
86.99067	0.8
91.03938	1.9
95.04980	12.4
97.02906	7.2
99.04504	1.5
100.26268	0.6
104.86481	0.7
109.02891	2.6
110.83992	0.6
113.06017	27.8
120.08076	1.4
123.50430	0.6
126.78481	0.6
127.03923	8.7
131.07054	100.0
145.04977	15.7
145.06015	0.8
149.08221	0.6
157.15326	0.7
163.06056	5.7
166.08664	1.0
181.04460	1.0
190.03635	0.8
220.32474	0.6
293.12402	3.0
310.16556	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	310.144
Annotation	1-Methoxyindole-3-carboxylate
Peak:m/z	Relative Intensity
52.95295	0.5
55.05511	0.7
57.07064	0.4
58.06589	1.2
60.04533	3.3
67.05499	1.2
69.06493	0.4
70.10743	1.4
72.08133	0.9
79.05498	1.0
80.96678	0.4
81.03407	0.7
81.07041	0.5
86.06069	1.2
91.05486	0.7
93.07063	1.1
95.08615	0.7
98.20793	0.7
105.07060	0.5
107.08582	0.4
109.02921	0.6
119.08572	0.7
131.08574	0.4
133.06454	0.4
133.10115	0.7
149.09641	0.6
165.07040	2.9
177.06900	0.5
178.07843	0.7
179.08572	3.3
180.08020	0.6
180.09377	1.9
189.06923	2.6
190.07768	9.8
191.08572	73.2
192.09088	0.7
193.06487	1.2
193.08884	0.5
194.07298	0.6
195.08087	0.7
202.07913	0.6
205.10162	1.9
206.09499	0.5
207.08095	7.2
208.08839	3.7
208.11226	2.3
216.07921	0.5
217.06645	0.4
217.08864	2.1
218.07323	2.3
218.09634	18.1
219.08096	66.3
219.10381	6.7
220.08847	5.8
222.06821	0.5
229.07697	0.9
233.09671	0.8
234.09183	4.1
235.09857	1.3
236.08392	9.2
236.10695	100.0
237.11047	1.5
251.10703	25.5
268.13309	1.2
274.21530	0.7
278.11795	48.6
292.22623	1.3
293.11646	0.5
296.12817	1.5
310.11423	0.8
310.14383	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1499
Annotation	4-O-beta-D-Glucopyranosylfagomine
Peak:m/z	Relative Intensity
53.03947	1.5
55.01860	1.3
56.96576	10.3
57.03424	3.4
57.07076	2.6
58.06590	4.9
59.04991	3.7
60.04514	2.5
61.02919	5.0
67.05490	4.4
69.03433	9.6
69.07074	6.0
69.71064	4.8
69.71471	1.8
70.06599	19.3
71.04970	3.8
72.08162	6.7
73.02898	4.6
81.03408	3.3
83.04977	1.2
84.04505	6.9
84.07691	1.8
84.08150	19.0
85.02444	1.9
85.02913	28.5
85.06542	8.6
86.09704	4.1
86.99058	3.3
87.04456	3.4
89.03915	1.6
91.03954	2.7
91.05478	1.6
93.07012	1.8
95.04981	6.2
95.10875	1.1
97.02912	9.8
98.06051	2.5
98.20830	1.8
98.97586	17.5
99.04450	1.8
103.07612	9.4
105.03436	1.3
106.05029	1.2
107.04970	2.1
109.02873	2.2
110.07196	2.9
110.97580	4.6
111.04480	1.1
112.07588	4.2
113.06018	11.6
116.07075	3.3
116.98661	5.9
120.08129	2.3
120.10200	7.8
120.92635	1.1
121.02917	1.7
121.06521	2.1
124.60304	1.3
124.99036	1.2
126.05510	1.9
127.01557	1.3
127.03932	6.5
128.98602	4.2
129.09286	1.2
129.10239	6.0
130.08661	9.7
131.04979	1.6
131.07056	24.0
132.95872	1.5
135.04465	1.9
136.06213	1.7
136.07559	5.5
137.05975	3.5
140.07037	1.5
141.05458	1.6
143.00203	1.7
145.04910	6.0
146.99591	1.8
147.04420	4.2
148.09698	100.0
150.05464	1.5
151.07561	1.8
158.99673	4.0
161.01241	1.7
163.02672	2.3
163.03915	9.7
164.04225	3.0
170.99713	2.1
177.00749	2.1
179.02669	1.4
181.96391	1.2
183.11292	1.7
185.06105	1.1
186.12418	2.0
189.00713	2.5
189.09155	1.6
190.03548	2.4
191.03911	1.8
193.04280	1.2
193.09741	3.2
201.00789	2.0
213.12354	8.1
216.05226	2.3
219.01733	4.7
220.04121	1.9
237.02870	7.0
250.51944	1.1
279.07507	2.2
280.07635	1.5
283.06418	1.6
292.11951	3.4
303.07455	2.3
309.60095	1.4
310.09265	2.0
310.12851	18.6
310.17230	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	310.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01880	8.0
55.05500	1.2
56.05030	2.6
56.96565	27.4
57.03442	27.8
57.07077	7.7
58.06590	1.8
59.04988	1.5
60.04528	2.1
60.71990	0.9
61.02607	1.3
61.02932	48.9
69.03435	50.7
69.24315	3.4
69.24738	4.6
70.03757	1.2
70.06596	12.9
70.98125	9.1
71.01360	2.1
71.04995	5.7
71.95263	2.0
72.08165	5.2
73.02921	33.8
74.06075	2.1
74.09725	31.9
75.04486	1.0
80.00257	1.1
80.53123	0.7
81.01023	1.7
81.03426	14.2
82.03699	0.8
83.00787	2.8
83.01328	1.5
83.04954	1.1
84.04503	1.7
84.08150	33.1
84.96051	4.5
85.02912	100.0
86.03239	3.3
86.09726	2.0
87.04481	10.1
88.99152	4.2
89.00777	2.5
90.01556	2.4
91.00574	0.9
91.03955	5.1
91.05464	2.1
94.06623	0.9
95.00787	2.1
95.86047	0.9
96.01532	1.4
97.02898	43.0
98.01283	1.8
98.03207	2.1
98.06059	1.3
98.20823	2.0
98.97588	74.1
99.04449	8.9
99.97929	1.4
100.99143	1.2
101.00814	6.6
101.02407	3.5
102.96984	1.1
103.00549	2.0
103.03954	0.9
104.01273	2.7
106.01007	1.4
107.01810	1.9
109.00508	2.3
109.02320	1.1
109.02900	8.9
109.50893	1.3
110.01289	13.8
110.03095	0.8
110.07169	2.6
110.97575	23.1
111.02042	1.0
112.01064	1.3
112.07529	1.0
112.99144	4.5
113.02374	1.7
115.00647	2.1
115.02466	1.0
115.03951	3.2
115.08689	2.2
116.01277	2.1
116.07107	4.3
116.98623	21.0
117.00237	1.4
117.01936	4.5
118.01029	4.6
118.51431	1.6
119.01823	33.9
120.00730	1.1
121.01671	1.2
122.06010	1.0
123.00219	2.9
124.01010	3.1
124.95502	5.2
124.99100	3.2
125.01804	3.4
126.00762	2.3
126.02548	1.4
127.00625	1.8
127.01515	1.7
127.03930	36.6
128.02330	22.1
128.04306	1.6
128.98610	28.0
129.00175	1.9
129.10248	6.1
129.98871	1.1
130.01013	1.3
130.08650	8.5
131.00169	5.1
131.01804	4.3
132.00754	8.0
133.01640	5.0
133.03416	2.3
134.02248	1.4
134.99657	4.0
135.03125	2.9
136.00993	1.4
136.07635	5.5
137.01866	1.1
137.02814	4.7
138.00854	1.9
138.02618	1.0
139.01537	8.2
139.03358	2.6
139.53055	1.4
140.02293	3.5
140.98557	4.6
141.01259	2.6
142.96523	4.7
143.00186	6.1
143.01877	2.3
143.08151	4.3
144.00722	2.1
144.06601	1.5
144.98083	1.8
145.01605	2.7
145.03444	0.8
145.03839	1.2
145.04962	13.7
146.02307	5.3
146.99658	21.8
147.01251	4.2
147.03088	3.1
147.11313	2.0
148.00139	1.1
148.02078	10.3
148.03860	20.5
148.04941	1.8
148.06519	1.1
148.07578	3.2
148.09724	6.6
149.01241	2.2
149.02821	2.3
150.00697	1.4
150.05524	10.5
151.02727	1.1
152.02330	3.1
152.95012	2.7
152.98587	2.3
153.01299	6.2
154.02049	4.3
154.96487	3.2
155.00064	1.2
155.02879	4.2
156.98096	4.0
157.02702	4.4
157.04411	3.6
158.02356	1.4
158.99664	18.7
159.01244	4.8
160.02097	4.0
160.97559	1.9
161.01227	4.3
161.02849	5.0
161.04689	1.3
161.09201	2.2
162.01805	7.5
163.02658	2.5
163.03934	1.4
164.07112	3.1
165.00677	6.7
166.02052	2.1
167.02986	1.0
168.01790	10.5
168.99338	0.9
169.02596	10.9
170.03369	2.4
170.96024	7.8
170.99687	12.1
172.97624	6.4
173.01218	3.0
173.02931	3.2
173.52550	1.2
174.01881	6.4
174.99226	7.4
175.02539	13.6
175.52850	1.4
176.03365	1.4
176.06007	1.3
177.00723	11.2
177.02377	6.4
177.03955	1.6
178.03125	3.6
178.04951	3.1
181.02568	3.8
181.04399	1.2
181.09714	1.3
182.03282	7.5
182.99692	2.9
183.02330	16.5
183.04956	1.2
183.52477	1.4
184.03120	21.5
184.04811	1.0
184.53284	1.3
184.97586	11.5
185.01181	1.3
186.99200	7.9
188.97127	8.4
189.00752	19.2
189.02362	2.7
189.04172	1.0
190.01514	1.4
190.03088	6.0
190.98643	6.3
191.02335	1.2
191.03918	15.7
191.54097	1.7
192.02863	9.5
193.00333	4.4
193.03699	4.4
194.99809	1.1
195.02339	2.0
198.02863	5.1
198.04713	4.3
199.03661	2.6
200.04433	9.7
200.54602	1.1
201.00708	10.4
202.01035	1.2
202.98686	7.2
204.02878	37.9
204.53041	3.3
205.00224	19.9
205.04361	3.9
206.98184	2.2
207.01761	6.0
207.05154	5.1
209.04956	2.3
210.99280	1.2
211.03632	13.0
211.05525	2.2
211.53748	1.3
212.97061	6.5
213.03397	69.2
213.53593	6.7
214.05998	3.4
214.98671	2.9
217.00266	7.8
217.03636	1.1
219.01782	18.1
219.05220	2.7
219.55402	5.1
220.04172	46.2
220.06058	25.9
220.54347	2.0
220.99702	3.4
222.03914	14.0
222.54109	1.1
223.01355	6.6
224.54117	1.5
228.05756	1.4
228.55836	4.2
229.04701	40.8
229.06580	16.6
229.54774	2.3
229.56836	1.1
230.98151	14.6
231.01730	1.3
232.99672	5.2
233.54739	2.0
235.01312	4.3
237.02809	13.8
240.55481	2.0
243.01810	1.5
244.99731	6.9
247.01279	12.7
248.99275	2.1
249.02597	1.7
250.02956	1.2
251.04388	1.3
252.08147	2.2
255.04112	2.5
259.01239	3.1
260.99396	1.4
261.02872	2.8
263.00754	9.1
264.04956	6.6
265.02402	2.6
265.05920	1.0
275.00732	6.3
275.04614	0.9
277.02322	7.3
277.05963	4.5
279.03876	2.1
281.01807	2.8
285.05493	1.8
287.09213	3.3
291.03891	1.1
293.01920	2.0
293.05493	2.2
294.06006	10.3
295.06940	7.9
296.07425	1.0
301.06747	2.6
305.01819	8.3
307.03430	2.1
310.08069	2.0
310.17661	3.8
319.03384	3.6
321.10297	2.3
323.02875	2.6
333.01294	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2789
Annotation	Labdenediol
Peak:m/z	Relative Intensity
53.03931	0.6
53.19671	0.5
55.01867	0.9
55.05514	3.3
57.07079	73.8
59.05005	0.9
67.05514	6.9
69.03415	0.8
69.07073	6.0
71.04989	0.9
71.08636	100.0
73.02930	1.7
74.71537	0.6
78.11523	0.5
79.05491	4.7
80.05821	0.7
81.03448	0.7
81.07063	17.8
83.05006	0.8
83.08622	2.2
84.38692	0.6
89.39596	0.5
91.05482	2.7
93.07053	8.0
95.04974	1.1
95.08614	22.0
97.06510	1.0
97.10195	2.4
97.85322	0.6
100.24516	0.6
102.45245	0.6
105.07046	5.0
107.08594	5.1
109.06541	1.7
109.10162	4.2
111.04425	1.2
111.11729	1.2
113.13285	13.4
119.08572	4.8
121.10168	2.9
123.08184	0.7
123.11713	13.8
123.12583	1.0
125.09710	0.6
131.08591	0.7
133.10156	3.8
135.04436	0.7
135.11716	4.3
137.05989	7.6
137.44458	0.6
139.11136	0.7
139.51819	0.6
141.12752	13.2
143.08649	0.6
145.10214	1.0
147.11749	2.2
149.09698	0.7
149.13258	3.2
151.11203	1.0
151.14828	2.8
161.13283	2.9
163.03912	0.7
163.14845	0.9
165.12837	1.2
187.07613	1.1
217.19481	0.7
225.09306	0.5
247.24213	3.0
249.18576	0.9
250.99808	0.6
273.18674	0.7
273.25745	3.9
277.18051	4.3
279.10181	0.7
279.26865	6.6
291.19604	1.3
291.26807	19.1
294.08716	0.6
309.07654	2.0
309.11301	4.9
309.27881	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	310.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96749	0.5
56.96550	0.9
71.50651	0.7
71.69377	0.7
81.07467	0.5
82.99844	0.8
98.97591	6.2
101.00893	6.6
102.00910	0.5
103.00635	2.0
116.98665	2.4
119.01932	13.5
120.02000	2.0
121.01656	3.3
125.97694	0.5
134.99837	1.4
137.02953	1.5
140.98825	0.6
142.03575	0.5
156.32945	0.6
158.99887	2.0
161.99754	0.9
174.97600	0.7
176.00162	1.5
177.00989	17.1
178.01030	1.3
179.00731	5.4
180.00812	7.0
200.00165	1.4
201.01065	1.1
203.00713	1.2
203.02502	2.6
204.00839	2.1
215.02644	0.5
216.98766	0.7
218.01231	14.6
219.02020	14.5
219.03780	0.6
220.02168	1.2
220.04092	1.9
221.01840	8.4
222.01950	17.0
227.00682	0.9
227.98749	0.9
228.00708	2.8
233.03590	5.4
234.00703	0.7
234.99823	1.5
245.01680	4.1
245.99406	1.8
246.01921	12.1
250.00273	3.3
261.03308	1.2
262.03030	0.8
263.02890	32.3
264.00467	47.7
264.03070	100.0
265.00519	1.1
265.03018	1.1
265.49319	0.5
266.03583	0.7
269.01086	0.6
269.03583	0.8
277.00766	0.5
282.01605	12.1
286.04465	1.2
286.31653	0.6
286.95990	0.6
286.99158	0.5
287.02084	7.6
287.04755	4.6
304.96970	1.3
305.00076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01880	8.0
55.05500	1.2
56.05030	2.6
56.96565	27.4
57.03442	27.8
57.07077	7.7
58.06590	1.8
59.04988	1.5
60.04528	2.1
60.71990	0.9
61.02607	1.3
61.02932	48.9
69.03435	50.7
69.24315	3.4
69.24738	4.6
70.03757	1.2
70.06596	12.9
70.98125	9.1
71.01360	2.1
71.04995	5.7
71.95263	2.0
72.08165	5.2
73.02921	33.8
74.06075	2.1
74.09725	31.9
75.04486	1.0
80.00257	1.1
80.53123	0.7
81.01023	1.7
81.03426	14.2
82.03699	0.8
83.00787	2.8
83.01328	1.5
83.04954	1.1
84.04503	1.7
84.08150	33.1
84.96051	4.5
85.02912	100.0
86.03239	3.3
86.09726	2.0
87.04481	10.1
88.99152	4.2
89.00777	2.5
90.01556	2.4
91.00574	0.9
91.03955	5.1
91.05464	2.1
94.06623	0.9
95.00787	2.1
95.86047	0.9
96.01532	1.4
97.02898	43.0
98.01283	1.8
98.03207	2.1
98.06059	1.3
98.20823	2.0
98.97588	74.1
99.04449	8.9
99.97929	1.4
100.99143	1.2
101.00814	6.6
101.02407	3.5
102.96984	1.1
103.00549	2.0
103.03954	0.9
104.01273	2.7
106.01007	1.4
107.01810	1.9
109.00508	2.3
109.02320	1.1
109.02900	8.9
109.50893	1.3
110.01289	13.8
110.03095	0.8
110.07169	2.6
110.97575	23.1
111.02042	1.0
112.01064	1.3
112.07529	1.0
112.99144	4.5
113.02374	1.7
115.00647	2.1
115.02466	1.0
115.03951	3.2
115.08689	2.2
116.01277	2.1
116.07107	4.3
116.98623	21.0
117.00237	1.4
117.01936	4.5
118.01029	4.6
118.51431	1.6
119.01823	33.9
120.00730	1.1
121.01671	1.2
122.06010	1.0
123.00219	2.9
124.01010	3.1
124.95502	5.2
124.99100	3.2
125.01804	3.4
126.00762	2.3
126.02548	1.4
127.00625	1.8
127.01515	1.7
127.03930	36.6
128.02330	22.1
128.04306	1.6
128.98610	28.0
129.00175	1.9
129.10248	6.1
129.98871	1.1
130.01013	1.3
130.08650	8.5
131.00169	5.1
131.01804	4.3
132.00754	8.0
133.01640	5.0
133.03416	2.3
134.02248	1.4
134.99657	4.0
135.03125	2.9
136.00993	1.4
136.07635	5.5
137.01866	1.1
137.02814	4.7
138.00854	1.9
138.02618	1.0
139.01537	8.2
139.03358	2.6
139.53055	1.4
140.02293	3.5
140.98557	4.6
141.01259	2.6
142.96523	4.7
143.00186	6.1
143.01877	2.3
143.08151	4.3
144.00722	2.1
144.06601	1.5
144.98083	1.8
145.01605	2.7
145.03444	0.8
145.03839	1.2
145.04962	13.7
146.02307	5.3
146.99658	21.8
147.01251	4.2
147.03088	3.1
147.11313	2.0
148.00139	1.1
148.02078	10.3
148.03860	20.5
148.04941	1.8
148.06519	1.1
148.07578	3.2
148.09724	6.6
149.01241	2.2
149.02821	2.3
150.00697	1.4
150.05524	10.5
151.02727	1.1
152.02330	3.1
152.95012	2.7
152.98587	2.3
153.01299	6.2
154.02049	4.3
154.96487	3.2
155.00064	1.2
155.02879	4.2
156.98096	4.0
157.02702	4.4
157.04411	3.6
158.02356	1.4
158.99664	18.7
159.01244	4.8
160.02097	4.0
160.97559	1.9
161.01227	4.3
161.02849	5.0
161.04689	1.3
161.09201	2.2
162.01805	7.5
163.02658	2.5
163.03934	1.4
164.07112	3.1
165.00677	6.7
166.02052	2.1
167.02986	1.0
168.01790	10.5
168.99338	0.9
169.02596	10.9
170.03369	2.4
170.96024	7.8
170.99687	12.1
172.97624	6.4
173.01218	3.0
173.02931	3.2
173.52550	1.2
174.01881	6.4
174.99226	7.4
175.02539	13.6
175.52850	1.4
176.03365	1.4
176.06007	1.3
177.00723	11.2
177.02377	6.4
177.03955	1.6
178.03125	3.6
178.04951	3.1
181.02568	3.8
181.04399	1.2
181.09714	1.3
182.03282	7.5
182.99692	2.9
183.02330	16.5
183.04956	1.2
183.52477	1.4
184.03120	21.5
184.04811	1.0
184.53284	1.3
184.97586	11.5
185.01181	1.3
186.99200	7.9
188.97127	8.4
189.00752	19.2
189.02362	2.7
189.04172	1.0
190.01514	1.4
190.03088	6.0
190.98643	6.3
191.02335	1.2
191.03918	15.7
191.54097	1.7
192.02863	9.5
193.00333	4.4
193.03699	4.4
194.99809	1.1
195.02339	2.0
198.02863	5.1
198.04713	4.3
199.03661	2.6
200.04433	9.7
200.54602	1.1
201.00708	10.4
202.01035	1.2
202.98686	7.2
204.02878	37.9
204.53041	3.3
205.00224	19.9
205.04361	3.9
206.98184	2.2
207.01761	6.0
207.05154	5.1
209.04956	2.3
210.99280	1.2
211.03632	13.0
211.05525	2.2
211.53748	1.3
212.97061	6.5
213.03397	69.2
213.53593	6.7
214.05998	3.4
214.98671	2.9
217.00266	7.8
217.03636	1.1
219.01782	18.1
219.05220	2.7
219.55402	5.1
220.04172	46.2
220.06058	25.9
220.54347	2.0
220.99702	3.4
222.03914	14.0
222.54109	1.1
223.01355	6.6
224.54117	1.5
228.05756	1.4
228.55836	4.2
229.04701	40.8
229.06580	16.6
229.54774	2.3
229.56836	1.1
230.98151	14.6
231.01730	1.3
232.99672	5.2
233.54739	2.0
235.01312	4.3
237.02809	13.8
240.55481	2.0
243.01810	1.5
244.99731	6.9
247.01279	12.7
248.99275	2.1
249.02597	1.7
250.02956	1.2
251.04388	1.3
252.08147	2.2
255.04112	2.5
259.01239	3.1
260.99396	1.4
261.02872	2.8
263.00754	9.1
264.04956	6.6
265.02402	2.6
265.05920	1.0
275.00732	6.3
275.04614	0.9
277.02322	7.3
277.05963	4.5
279.03876	2.1
281.01807	2.8
285.05493	1.8
287.09213	3.3
291.03891	1.1
293.01920	2.0
293.05493	2.2
294.06006	10.3
295.06940	7.9
296.07425	1.0
301.06747	2.6
305.01819	8.3
307.03430	2.1
310.08069	2.0
310.17661	3.8
319.03384	3.6
321.10297	2.3
323.02875	2.6
333.01294	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.279
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03952	1.6
55.01868	1.8
55.05277	1.3
55.05521	18.8
55.99609	1.0
57.03440	1.1
57.07084	77.5
61.90872	1.0
64.77811	0.9
67.05186	1.4
67.05517	18.3
69.03419	1.9
69.06728	1.4
69.07078	19.0
69.75706	6.1
71.04995	1.2
71.08642	100.0
73.06577	2.4
75.37611	1.0
79.05505	14.3
81.06590	2.0
81.07069	40.7
81.63296	1.0
81.96715	1.0
83.04974	3.4
83.08225	1.2
83.08637	12.2
84.08111	1.1
85.06529	2.4
87.19940	1.0
91.05493	9.7
93.06495	1.3
93.07055	15.1
95.04976	3.8
95.08620	44.9
97.06525	3.6
97.10186	9.0
99.08110	3.1
101.06017	1.8
102.73090	1.0
105.07043	8.7
107.04984	1.6
107.08604	12.9
109.06554	2.8
109.10174	20.2
111.04454	1.2
111.08086	2.0
111.11726	2.2
113.13292	10.2
117.07085	1.3
119.05860	1.0
119.08602	9.6
121.06488	1.3
121.10172	6.3
123.08062	3.5
123.11720	19.7
125.09663	7.2
129.07027	1.5
131.08595	3.0
133.06554	1.3
133.10147	8.9
135.04405	1.7
135.08028	2.0
135.11687	3.9
137.06068	1.0
137.09662	2.2
137.13261	4.1
137.36824	1.0
139.11221	2.4
140.19409	1.2
141.12741	8.7
145.10141	2.6
147.08080	2.1
147.11688	3.5
149.09645	1.3
149.13272	2.5
151.11176	4.6
151.14827	15.0
156.02148	1.7
157.10146	1.9
161.09709	2.3
161.13335	2.6
163.11157	2.1
163.14778	1.3
165.09213	1.2
165.12756	2.2
167.14293	6.0
169.12271	1.4
171.11713	1.3
175.14821	1.5
179.14305	6.5
189.11186	3.0
193.12352	1.2
197.15370	1.4
223.13301	3.3
231.13754	1.5
255.17360	1.3
263.20190	1.3
273.18610	7.2
273.25809	3.4
277.08679	1.2
277.21527	2.3
278.09393	1.6
291.19592	47.7
291.26819	26.7
297.70428	1.3
297.92792	1.0
309.07700	2.2
309.11151	6.1
309.20718	2.3
309.24319	2.2
309.27905	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56215	0.3
51.02388	0.3
53.03955	0.6
55.05527	0.3
57.03448	0.5
57.35169	0.3
58.49338	0.3
58.58654	0.3
66.49904	0.3
67.05512	1.8
69.26817	2.7
72.08154	2.9
77.03936	0.4
77.85446	0.3
78.04716	0.4
79.05503	9.4
79.05968	0.5
80.05833	1.1
81.07063	1.3
85.06543	0.6
91.05488	8.6
92.05829	2.7
93.07079	1.4
95.04980	1.3
105.03414	0.6
105.07053	2.8
106.06565	8.8
107.04951	0.9
107.06895	5.1
107.08595	5.4
108.08923	0.3
109.06527	1.7
113.06013	1.7
116.04994	5.1
117.05331	4.1
117.07044	0.4
119.06086	0.7
119.08605	0.9
120.06474	0.3
126.95229	0.3
129.07040	0.4
131.08603	0.6
132.04466	0.7
132.08107	0.6
133.08449	0.5
133.10100	1.4
134.06029	100.0
135.06378	66.3
139.09990	1.6
144.08092	9.2
145.08450	8.4
147.08136	0.4
147.11714	4.4
149.13266	1.0
157.10138	0.4
165.10234	1.2
166.10641	1.6
175.11040	0.5
175.12404	1.5
176.12683	1.7
200.01085	0.3
201.10228	0.7
202.10643	0.7
240.05409	0.3
246.18556	11.8
258.29950	0.4
264.16986	0.4
264.19632	3.7
270.79257	0.3
286.16510	0.4
291.16742	2.0
291.19641	0.4
309.17877	13.6
309.32855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.4
55.01863	3.3
55.05275	1.2
55.05519	17.2
56.03830	1.3
57.03448	2.4
57.07073	4.6
58.25655	1.0
59.04987	1.8
67.05510	37.5
69.03418	1.6
69.07074	27.8
69.51383	7.4
71.08628	4.2
74.44056	1.0
75.05833	1.1
79.05074	1.8
79.05499	25.5
81.03423	45.9
81.07061	38.3
83.04991	11.6
83.08630	6.6
85.06541	1.5
85.10162	2.0
91.05490	13.5
93.07047	29.4
94.02371	1.0
95.04974	22.6
95.08606	14.6
97.06527	2.5
97.10167	7.6
98.21455	1.8
99.08107	3.0
104.27188	1.0
105.07043	15.6
106.03970	0.9
107.04997	2.0
107.08602	19.7
109.06538	6.0
109.10163	11.5
111.08106	2.4
113.09693	1.7
117.07010	2.9
119.08589	9.4
121.10151	8.0
122.91812	1.0
123.08067	1.5
123.11715	6.5
125.09637	10.1
125.52171	1.3
129.07021	1.6
131.08582	3.0
133.10121	11.9
135.08044	4.0
135.11705	6.9
137.13324	1.6
143.08594	1.4
145.10135	1.9
147.11688	9.4
149.13220	6.1
151.11195	30.8
153.09171	6.0
157.10098	1.9
159.11688	2.1
161.09679	1.8
161.13287	9.0
163.11174	1.1
163.14841	3.0
165.12746	9.4
171.10234	1.7
171.11719	2.5
175.11293	1.7
175.14806	2.9
177.12733	1.7
179.14328	2.9
185.13277	1.8
193.12244	2.0
203.12779	9.1
207.13809	3.7
217.19537	2.3
221.15405	1.7
231.21074	8.0
241.19539	6.7
249.22095	3.3
249.56697	1.3
259.20630	7.6
277.21634	100.0
309.24237	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	309.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.8
53.03945	6.6
55.01864	7.0
55.05515	14.3
57.03424	8.4
57.07060	4.5
57.09647	1.7
63.17230	1.7
63.33527	1.7
65.03936	3.7
67.05512	33.5
69.07069	16.7
69.96817	3.5
69.97224	6.1
71.04992	3.6
71.08640	2.1
78.84629	2.0
79.05500	36.7
79.17664	2.0
81.03405	5.0
81.07064	45.1
83.04966	3.2
83.08620	6.4
91.05492	42.7
93.07053	82.3
95.04979	55.3
95.08617	42.3
97.06545	21.6
97.10151	2.1
103.05472	2.4
105.04501	3.7
105.07043	91.5
107.04967	4.3
107.08598	45.0
109.06533	13.9
109.10169	26.8
109.82671	1.8
115.05447	5.0
116.06255	2.5
117.07034	19.1
119.08594	66.6
121.06510	9.4
121.10155	100.0
123.08099	9.6
123.11688	7.2
128.06198	10.0
129.07042	11.9
130.07773	4.8
131.08574	39.5
132.09351	2.1
133.10144	41.0
134.06029	2.0
135.04424	30.0
135.08064	6.1
135.11703	13.6
137.05995	12.9
141.06989	5.8
142.07820	17.6
143.08585	30.7
144.09334	6.9
145.06526	4.4
145.09052	3.7
145.10136	50.8
147.08086	3.2
147.11697	12.1
149.09608	4.4
154.07776	2.4
155.08525	8.4
156.09386	10.1
157.10124	36.7
158.10954	3.5
159.08116	4.2
159.10498	2.6
159.11722	40.8
161.09648	9.2
161.13254	5.8
163.11145	2.5
165.07014	3.3
167.08559	3.3
168.09337	2.5
169.10162	19.6
170.10907	4.8
171.11685	16.4
173.09644	3.0
173.13272	19.0
175.14847	9.0
181.10130	6.0
182.10876	4.0
183.11736	12.5
185.06009	3.6
185.13191	9.9
187.07567	5.7
187.11229	12.9
187.14847	25.9
189.12674	4.4
191.08531	8.3
193.10165	4.3
195.11639	6.1
197.13248	10.5
199.14873	10.5
201.12714	4.5
206.10948	3.3
207.11740	6.3
208.08777	2.5
209.13281	6.6
210.13962	2.1
211.11143	2.8
211.14877	10.8
213.16394	3.4
215.14308	2.9
219.08099	15.2
220.12462	2.4
221.13177	2.9
223.14767	3.8
225.16286	5.9
235.14714	4.4
236.08424	3.7
239.14513	2.3
239.17982	4.9
240.18822	2.3
241.15927	2.9
247.07567	9.0
248.08385	3.2
249.09077	7.1
249.16304	3.9
251.07201	2.6
251.10684	8.8
253.15921	4.7
253.19569	4.1
261.09128	3.0
264.07776	3.9
265.19513	6.0
277.08560	11.4
277.21561	4.0
279.10193	15.3
281.08072	3.6
281.22604	6.2
291.10275	2.3
291.21112	9.7
294.08798	8.3
309.07806	3.3
309.11243	47.8
309.14627	2.5
309.18552	3.8
309.22116	68.9
332.24765	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2428
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.47897	4.5
55.05501	16.1
56.43919	4.3
57.02451	3.7
57.07090	7.0
67.05504	27.6
69.07068	12.3
71.05035	4.6
71.08624	23.8
71.52663	4.5
73.96163	4.1
79.05490	33.8
81.03395	5.2
81.07066	44.6
81.15565	4.4
83.04977	5.5
83.08629	12.5
91.05473	19.2
93.07058	34.5
95.04969	6.7
95.08625	26.9
97.06532	6.7
97.10192	6.8
99.08104	32.7
105.07034	18.0
107.08609	22.3
109.06509	5.8
109.10171	12.6
117.09125	4.8
119.08543	10.7
121.10169	22.4
123.08077	5.5
133.10126	7.6
134.06024	10.4
135.06325	6.1
135.11732	30.0
135.12566	5.1
145.10062	6.1
149.13237	10.0
151.11220	9.4
154.06238	10.2
161.13277	6.2
179.14317	59.8
201.93169	5.0
240.63284	4.2
259.20499	5.9
277.21591	44.3
309.24332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Albocycline
Peak:m/z	Relative Intensity
50.24214	1.5
53.03928	1.7
55.01866	4.2
55.05517	22.4
57.07063	5.0
58.06612	2.4
58.86062	1.7
61.70647	1.5
67.05216	1.6
67.05506	16.0
69.07076	14.8
69.26314	9.8
69.26724	5.9
71.08622	3.5
72.58972	1.6
79.05499	17.8
81.03384	1.8
81.07069	23.6
83.04987	2.2
83.08646	10.9
91.05492	13.8
93.07043	12.3
95.04960	6.8
95.08631	13.4
97.06521	2.0
97.10162	14.0
98.98470	1.9
105.07069	9.9
107.04951	2.9
107.06921	2.9
107.08631	10.8
108.25002	1.7
109.02760	1.5
109.06541	2.3
109.10142	6.9
117.07014	3.5
119.08568	7.2
121.06499	3.5
121.10149	4.2
121.25912	1.9
123.04454	1.7
123.08089	3.9
125.09650	8.4
129.06998	1.8
131.08588	5.5
133.06532	3.1
134.06024	29.8
135.04388	2.5
135.06380	24.2
135.08046	3.0
135.11685	2.7
137.05981	2.4
143.08621	2.2
144.08054	3.0
145.08392	3.6
145.10172	2.2
147.08051	2.3
147.11697	3.4
149.13254	2.5
161.09604	2.2
163.11259	2.1
189.11243	7.8
211.34775	1.7
215.23087	1.7
219.08054	2.9
223.13275	5.2
244.45081	1.8
249.15041	1.9
273.18631	8.8
291.19559	100.0
309.11023	2.6
309.17618	4.1
309.20566	3.9
309.27859	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	309.2213
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
52.12364	2.3
53.03937	6.9
55.01870	4.0
55.05523	15.5
57.03437	5.7
57.07066	5.2
58.81412	2.0
65.03946	3.2
67.05512	35.8
69.03423	3.0
69.06798	2.0
69.07076	21.9
71.04996	3.1
79.05501	32.4
81.03420	4.2
81.07066	46.6
83.04985	2.5
83.08607	7.0
91.05487	52.7
93.07052	86.5
95.04977	64.5
95.08611	50.3
97.06544	25.3
103.05445	5.7
105.04538	4.2
105.07043	93.3
107.05011	3.0
107.07881	3.1
107.08597	50.9
109.06532	14.3
109.10166	28.9
115.05448	4.0
117.07036	19.1
119.08588	70.2
121.06511	12.1
121.10153	98.4
121.11028	5.0
123.08034	12.1
123.11692	8.8
128.06209	8.7
129.07033	17.4
130.07808	9.4
131.08582	50.0
133.07573	2.6
133.10144	45.5
135.08051	5.3
135.11696	17.1
141.06949	10.2
142.07802	15.5
143.08568	33.5
144.09427	10.9
145.06473	4.0
145.10132	59.7
147.08009	5.8
147.11687	18.2
149.09598	9.1
154.07768	3.8
155.08543	12.3
156.09366	16.3
157.10144	46.4
158.10904	6.4
158.69817	2.5
159.08084	4.6
159.11714	52.2
161.09647	9.8
161.13251	10.2
163.11212	2.8
165.07004	3.9
167.08582	6.0
168.09352	2.6
169.10173	23.6
170.10915	8.0
171.11679	25.1
173.09645	3.8
173.13274	23.3
175.11194	5.1
175.14813	13.8
181.10158	6.4
182.10925	6.1
183.11729	17.1
185.09641	2.9
185.13269	15.9
187.11215	11.6
187.14847	25.9
189.12740	2.9
189.16405	3.3
192.09361	2.7
193.10124	5.3
194.10924	4.9
195.11650	11.1
196.12457	4.3
197.13274	15.0
199.11203	2.7
199.14867	15.1
201.12738	4.3
206.10918	3.7
207.11752	5.2
209.13255	8.4
211.14752	12.0
213.13008	3.2
213.16345	7.2
215.14362	6.9
216.55144	2.3
220.12344	3.5
221.13304	5.3
223.14839	5.9
225.16447	8.0
229.15851	3.6
235.14709	7.9
239.14284	3.9
239.17912	5.3
241.15865	2.5
249.16289	5.2
251.18018	2.9
253.15875	6.6
265.19583	5.9
281.22607	6.4
291.21130	9.3
309.11160	9.6
309.22128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2063
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03952	12.9
53.67643	1.7
55.01876	21.8
55.05303	2.0
55.05519	20.2
57.03439	27.6
65.03954	4.2
67.05510	61.3
69.03413	5.2
69.07079	23.0
69.34966	2.0
70.00557	10.8
71.04992	17.7
74.24076	2.1
74.78038	1.9
79.05076	2.9
79.05504	45.3
81.03427	32.9
81.07066	78.8
83.04993	22.3
83.08611	10.6
85.02931	2.2
85.06548	8.9
87.52616	1.9
88.13380	2.4
91.04912	2.7
91.05484	45.9
93.07052	53.8
95.04973	25.3
95.08617	47.0
97.06548	33.3
97.10162	4.7
98.86555	1.9
99.04497	10.3
99.05044	2.0
99.08117	13.7
105.03387	4.6
105.07038	34.7
106.03735	2.6
107.04980	18.2
107.08611	30.2
109.06525	34.7
109.10156	19.2
111.03715	3.8
111.04446	49.3
111.08070	6.6
113.06007	5.1
115.07607	2.9
117.07029	19.8
119.04996	2.2
119.08589	27.7
121.06546	14.3
121.10143	15.0
123.04420	2.8
123.08073	20.1
123.11745	2.6
125.09628	6.7
127.07552	2.7
129.07016	9.2
131.08594	25.4
133.06490	4.6
133.10159	25.9
135.08070	19.9
135.11700	14.0
137.09619	6.6
141.07072	4.9
142.07764	2.8
143.08562	7.8
145.06508	8.4
145.10110	15.0
145.87544	2.2
147.08069	7.8
147.11699	7.7
149.09656	11.1
149.13239	6.4
150.25925	1.9
151.11211	7.6
151.56390	2.7
153.09142	12.7
154.07825	2.0
157.10132	8.2
159.08072	3.1
159.11713	14.7
161.09648	8.4
161.13268	4.6
163.11217	4.6
167.10677	2.2
169.10165	4.5
171.11719	7.5
173.09720	2.3
173.13277	6.7
175.11224	4.6
177.12738	4.9
179.10664	4.6
185.13287	5.1
187.11136	9.6
188.11511	2.0
189.12801	2.4
189.16364	2.6
191.14276	2.9
193.12247	3.1
195.13840	6.9
199.14853	7.0
201.12791	4.5
205.12433	2.8
207.13773	3.2
217.15915	17.1
219.13873	4.8
221.15445	4.9
223.13350	2.9
227.18033	2.8
233.15387	7.0
235.16878	5.3
237.16476	3.9
241.14342	3.9
245.19086	6.0
251.16376	6.0
255.17424	5.6
263.20001	10.6
273.18527	36.5
291.19556	100.0
309.07553	8.6
309.11102	4.8
309.20575	39.3
310.37372	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	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03938	8.3
55.01680	2.1
55.01880	23.7
55.05511	27.4
57.03437	4.6
57.07076	21.5
65.03945	3.9
67.05509	83.8
67.61916	1.8
69.03432	7.1
69.07069	29.4
69.28867	14.6
69.29269	3.3
71.04996	8.9
71.08635	31.9
79.05499	52.9
81.03442	12.8
81.07063	100.0
82.93391	2.4
83.01341	2.8
83.04993	12.7
83.08628	13.8
85.02917	3.2
85.06530	8.9
91.05486	53.6
93.07053	59.2
94.54105	2.2
95.04979	19.0
95.08615	81.9
97.06544	10.5
97.10177	5.8
99.04456	3.5
99.08084	3.3
101.06017	3.1
103.05454	2.6
105.03387	9.7
105.07042	56.8
107.04961	10.8
107.08598	55.2
109.06504	16.3
109.10161	84.9
111.04444	5.9
111.08070	6.3
113.06007	4.2
117.07050	11.1
119.08590	24.6
121.06528	17.2
121.10133	14.9
123.04457	2.5
123.08089	24.0
123.11716	17.5
124.46478	2.3
125.09667	5.0
128.06181	2.5
129.07025	9.3
131.08553	14.1
133.06512	6.5
133.10135	90.1
135.08081	12.1
135.11696	10.1
137.09633	10.9
139.07582	5.1
139.08559	2.4
141.12700	2.3
143.08568	7.4
145.10114	11.9
147.08072	8.3
147.11690	7.4
149.09610	8.9
149.13181	2.7
151.11191	70.4
157.10138	5.9
159.08041	3.7
159.11700	6.3
161.09647	16.0
161.13260	3.1
163.11218	4.3
165.09154	2.0
169.12213	18.8
171.11627	6.6
173.09583	3.1
175.11226	11.1
179.10744	3.7
180.41624	2.5
185.13181	2.6
189.11230	2.8
189.12750	5.3
199.11255	3.2
207.13795	3.1
211.14896	2.6
213.12723	2.7
215.12756	6.0
217.12234	4.4
221.01846	2.2
227.17818	2.8
245.19044	17.7
248.08328	2.2
249.18657	3.1
255.17493	6.4
263.20071	14.3
273.18497	47.8
291.10123	7.3
291.19537	68.5
309.07727	4.5
309.11121	16.3
309.14252	2.4
309.20590	25.6
309.27954	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	309.2064
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03955	11.0
55.01883	11.6
55.05514	48.7
57.03440	24.6
57.07061	3.3
65.03951	5.2
67.05514	51.6
69.03423	9.2
69.07076	23.7
70.41479	6.4
71.05022	11.6
71.08638	2.6
72.08145	3.0
79.05500	94.7
81.03423	19.0
81.06586	3.9
81.07063	70.1
83.04987	10.7
83.08628	25.7
85.06561	12.4
91.05489	46.5
93.07053	100.0
95.04980	24.6
95.08623	34.5
96.36948	2.9
97.06538	49.7
97.10180	34.0
99.08101	13.6
105.04512	4.5
105.07032	30.1
107.04973	16.4
107.08603	33.4
109.06522	31.4
109.10158	13.5
111.04421	3.1
111.08095	6.8
113.06017	25.2
115.05450	3.4
117.07055	13.9
119.08588	25.5
121.06518	9.1
121.10152	39.6
123.08079	29.5
123.11723	4.4
125.05995	4.6
125.09634	29.6
127.07558	5.8
128.06236	3.3
129.07014	8.4
131.08569	20.9
133.06517	3.4
133.10139	13.9
135.08080	21.2
135.11682	8.7
137.09647	4.9
143.08575	6.4
145.06552	2.2
145.10127	16.1
147.04353	2.9
147.08061	8.7
147.11699	8.8
149.09641	9.7
149.13266	6.8
151.11263	2.5
153.09178	3.9
156.31499	2.1
157.10123	7.1
159.08092	2.9
159.11700	11.9
161.09631	8.8
161.13275	2.5
163.11160	3.3
165.09155	4.1
165.12827	2.6
169.10121	6.0
169.12201	2.8
171.10223	4.3
171.11646	4.2
173.13260	3.7
175.11166	3.7
177.12772	6.2
179.10707	2.1
181.10225	2.3
183.11668	3.5
187.11159	5.0
189.11246	29.5
191.14293	3.3
192.14960	2.3
195.13800	8.3
203.14529	3.1
205.12314	3.8
217.15892	13.8
219.13828	3.5
221.15396	5.1
223.13289	12.5
233.15315	2.5
235.17073	2.9
238.21623	3.1
245.19144	4.5
249.14827	4.2
255.17429	4.9
263.20068	5.5
266.21097	4.1
273.18527	36.8
291.19556	81.0
309.07547	9.3
309.11148	11.3
309.14404	2.1
309.20648	34.0
309.28769	2.0
310.23831	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03934	0.9
55.01878	4.4
55.05512	5.2
57.03439	29.9
57.07078	1.6
62.36721	0.7
65.03947	2.7
65.55585	0.6
67.05507	25.8
69.03423	1.5
69.07079	3.5
69.07372	0.6
70.63901	0.9
70.64230	1.2
71.05003	3.2
79.05500	14.3
79.44192	0.6
79.44670	0.6
81.03424	1.1
81.07066	9.9
83.04970	1.1
83.08617	1.9
85.06548	29.2
91.05479	11.1
93.07040	10.1
95.04972	40.8
95.08591	6.1
97.06544	2.1
98.10455	0.7
99.08074	1.1
105.07038	7.9
107.04951	2.7
107.08595	8.6
109.06522	39.4
109.10162	2.4
111.08115	1.4
113.06009	100.0
114.74436	0.6
117.07012	4.6
118.47610	0.7
119.08560	5.3
121.06506	1.4
121.10134	3.2
123.08042	1.9
129.07028	3.4
131.08575	7.6
133.10085	3.7
135.08061	34.0
135.11722	3.4
137.06042	0.8
141.06964	0.9
143.08565	3.5
145.10123	5.5
147.08057	2.1
149.09596	3.5
149.13281	1.5
157.10117	3.2
157.96849	0.6
159.08044	1.3
159.11691	2.5
161.09648	5.7
163.11172	1.5
165.09270	0.9
171.11711	2.7
173.13304	2.3
175.11227	1.3
177.12796	1.8
183.11722	1.0
185.13246	1.4
195.13901	1.3
199.14842	2.2
200.61877	0.8
201.12689	1.6
203.14369	0.7
217.15891	12.3
219.13910	1.2
227.17848	1.0
237.16554	0.9
245.18962	0.8
255.17412	2.1
273.18515	16.6
291.19550	49.7
309.07886	1.3
309.11237	4.1
309.20767	1.5
309.24142	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2063
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03936	5.4
55.01875	10.5
55.05268	2.6
55.05517	33.7
57.03441	31.6
67.05192	2.5
67.05516	29.7
69.03419	2.8
69.07080	10.7
71.04996	5.0
71.52254	2.7
72.08157	3.9
78.42332	1.5
79.05077	2.2
79.05503	33.9
81.03413	4.1
81.07066	56.1
83.05006	7.5
83.08631	17.1
85.06541	7.0
91.05486	31.3
93.07060	24.7
95.04961	12.5
95.08614	16.9
97.06514	5.5
97.10189	19.3
99.08069	5.2
100.11267	3.9
103.41559	1.6
105.03389	2.1
105.07048	17.8
107.04963	19.0
107.08610	22.1
109.06538	20.1
109.10172	11.2
111.04439	2.2
111.08105	3.1
115.05434	2.2
117.07036	19.0
119.04934	1.9
119.07809	3.0
119.08599	38.4
121.06519	12.9
121.10173	9.8
122.38351	1.6
123.08096	9.8
123.11727	1.9
125.09654	19.4
128.06203	2.4
128.54277	1.6
129.07028	8.4
131.08600	17.2
133.06502	3.6
133.10126	6.9
135.04427	15.5
135.08037	10.6
135.11699	3.1
137.06035	1.9
137.09628	3.4
143.08557	7.8
144.08112	14.4
145.10126	18.3
147.08070	20.4
147.11673	3.9
149.09651	4.0
151.07610	1.7
153.09129	3.0
155.01096	1.8
157.10147	8.1
159.08098	3.4
159.11708	7.7
161.09599	7.1
163.11209	3.5
163.30531	1.7
165.09074	2.4
167.10709	2.0
171.10269	2.9
171.11710	4.8
173.09589	2.0
173.13248	5.9
175.11272	2.7
182.15417	6.3
183.11720	2.7
185.09633	1.7
185.13246	3.3
187.11169	1.8
189.11253	12.7
189.16431	1.8
193.12169	1.5
199.14775	4.5
200.11284	1.6
201.12744	3.3
210.14906	8.6
217.15880	5.8
219.13858	8.0
223.13321	3.0
227.17868	2.0
235.07671	1.9
235.16869	3.1
237.16689	2.1
238.21643	2.3
245.19052	3.4
247.07439	1.6
249.09140	2.7
249.14902	5.9
251.10501	2.2
255.17421	6.5
260.91595	1.9
263.06921	2.4
273.18539	46.6
273.89944	1.8
278.09323	2.1
279.10013	1.8
281.11829	1.7
291.10147	3.4
291.19574	100.0
294.08975	3.2
309.07614	6.9
309.11179	11.9
309.14758	7.8
309.20181	1.9
309.25500	2.1
309.28760	2.6
323.81122	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03941	7.5
53.22943	3.7
55.01873	20.2
55.05511	28.5
57.03445	20.2
57.07084	6.8
65.03946	4.7
67.05180	6.7
67.05511	85.8
69.03443	5.6
69.07079	21.1
71.04984	8.8
71.52861	5.5
79.05495	50.4
81.03404	12.4
81.07063	66.3
83.04984	16.8
83.08607	12.5
85.06538	17.8
91.05481	47.1
93.07045	50.7
95.04977	100.0
95.08626	42.4
97.06542	9.9
97.10161	6.5
105.07040	33.7
105.64915	4.0
107.04942	18.2
107.08601	36.2
109.06527	70.2
109.10136	16.7
111.04428	17.2
111.08066	5.6
113.06014	30.8
117.07016	12.7
119.08578	17.8
121.06484	10.9
121.10151	19.9
123.08070	6.0
123.11730	5.4
129.06999	9.3
131.08582	28.5
133.06485	6.1
133.10133	15.8
134.06050	7.7
135.04372	13.8
135.08075	43.4
135.11673	20.5
137.05997	12.1
143.08562	15.6
145.10097	18.5
147.08075	10.0
147.11786	4.2
149.09656	8.4
149.13274	7.1
157.10097	6.2
159.07925	4.1
159.11694	14.1
161.09642	11.4
163.11194	7.9
171.11761	7.6
177.12689	6.3
185.13310	6.4
187.11142	4.5
191.08594	7.2
205.12166	5.1
207.08273	4.3
217.15889	15.0
219.08026	10.2
233.21936	4.5
247.07559	6.9
248.08379	5.8
249.09251	5.9
251.10677	5.5
263.20099	5.5
264.07687	5.2
273.18500	47.0
277.08548	11.4
278.09317	6.7
279.06482	5.3
279.10175	6.3
281.08105	6.0
291.19540	75.7
294.08823	4.3
309.07504	19.1
309.11172	76.1
309.20746	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	309.2062
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03941	11.9
55.01868	13.4
55.05521	36.5
56.96561	6.3
57.03439	38.4
57.07072	12.1
65.03957	8.5
67.05511	83.3
69.03429	7.3
69.07074	60.5
69.84724	5.7
71.05011	30.0
71.52849	9.4
79.05497	79.2
81.03415	28.3
81.07064	100.0
83.04989	20.2
83.08610	26.4
85.06535	19.4
91.05479	69.1
93.07056	92.3
93.80740	6.5
95.04974	39.1
95.08616	84.4
97.06535	80.2
97.10161	13.9
97.93649	5.9
99.08099	48.3
105.07029	50.3
107.04959	27.8
107.08595	60.7
109.06537	43.0
109.10191	32.2
111.04478	11.5
111.08087	15.1
113.06004	8.0
115.07561	17.0
117.07032	21.2
119.08597	52.0
121.06509	19.6
121.10142	47.0
123.08075	17.2
123.11691	10.9
125.09673	6.8
127.07534	13.2
129.06966	12.2
131.08591	40.0
133.06480	8.5
133.10178	43.2
135.04501	7.9
135.08049	27.4
135.11708	18.2
137.05995	8.7
137.09647	17.8
143.08571	13.4
145.10149	32.9
147.08049	16.8
147.11693	17.8
149.09647	22.0
149.13268	11.5
151.11128	9.1
153.09215	9.9
157.10127	16.8
159.11670	18.8
161.09615	13.8
161.13255	8.3
163.11229	7.1
165.09135	6.9
171.11656	11.8
173.09619	10.3
173.13315	7.3
175.11154	9.2
185.13213	11.6
187.11270	10.5
191.36232	6.3
195.13939	6.7
199.14842	9.5
201.12802	11.0
205.12134	7.3
217.15950	19.8
219.13788	13.6
233.15453	11.9
234.06992	6.7
237.16595	7.3
238.65582	5.8
245.19075	8.8
249.09224	10.3
249.89366	5.2
251.16507	13.7
255.17442	7.6
262.06299	6.9
263.20081	15.2
265.91916	6.0
273.18427	53.4
277.08725	10.7
278.08987	6.5
281.07986	7.7
281.11575	8.1
291.19577	94.7
309.07544	45.3
309.11212	60.6
309.20502	48.7
309.28049	18.7
310.45050	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09855	0.4
53.03947	1.9
55.05521	0.6
56.14658	0.4
64.75209	0.5
67.05511	1.3
69.07080	0.7
71.52596	0.8
72.08153	0.4
75.49178	0.4
77.03949	0.9
79.05504	2.7
79.91245	0.5
81.07068	2.0
83.30608	0.4
85.06532	0.5
86.81003	0.5
91.05482	1.0
93.07046	1.1
95.04971	2.0
95.08633	0.8
97.10172	0.4
105.03429	0.6
105.04501	0.9
105.07021	0.9
107.04964	1.2
107.08584	1.1
115.05481	0.7
117.07000	2.8
119.08553	0.7
121.06535	0.4
124.34341	0.5
131.07036	0.5
131.08551	0.6
133.10155	0.5
134.06041	2.1
135.04420	100.0
143.07269	1.3
143.08435	0.4
144.08090	79.4
145.08405	0.8
147.04410	0.8
147.08012	0.6
149.37405	0.5
155.06053	0.7
166.08626	4.3
189.11246	0.5
210.14882	0.9
249.06760	0.6
266.11661	0.8
269.46243	0.4
273.18369	0.7
278.11670	1.2
291.19586	2.2
309.10989	0.6
309.12012	0.5
309.15912	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	309.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02963	0.3
53.03938	0.4
54.54302	0.3
55.01860	0.3
55.05517	0.6
55.67682	0.3
57.03424	0.4
58.06608	2.5
60.04535	0.6
62.44926	0.3
64.52088	0.3
65.03943	0.5
67.05498	0.8
69.03423	0.6
69.07069	0.8
70.06609	1.9
71.04993	0.4
71.51434	0.4
72.08163	15.4
74.06091	0.4
74.71229	0.2
79.05494	0.6
81.07073	1.6
83.12089	0.3
84.04510	0.6
84.08154	5.4
85.02908	1.4
85.08497	0.3
86.09731	1.6
88.57193	0.3
91.05489	5.9
93.07047	1.0
95.01350	0.6
95.04971	0.9
95.08636	0.7
97.06569	0.3
98.06055	0.8
98.09695	0.3
98.98470	0.6
102.05539	0.3
103.05445	0.3
105.03423	0.3
105.07032	1.3
105.15693	0.3
107.08601	0.9
109.10170	0.4
110.07246	0.5
110.09728	0.7
112.43130	0.3
116.07177	0.5
117.03408	0.6
117.07057	0.4
119.04953	18.6
119.08589	0.7
120.08132	0.4
123.04444	1.2
128.07060	0.6
128.10736	1.9
129.10271	1.2
135.08105	0.9
135.11700	0.6
137.06007	0.6
145.02869	1.3
145.06520	0.4
145.13358	0.6
146.06032	0.9
146.11780	4.9
147.04424	100.0
149.06010	0.7
153.12680	0.5
159.11674	1.3
163.03917	1.2
163.07579	0.5
163.14436	5.1
177.05475	2.7
186.07625	0.6
189.12311	0.5
193.72562	0.3
205.12292	1.3
218.11778	12.8
232.63708	0.3
261.15576	0.4
263.13818	0.3
267.01639	0.5
291.17038	1.5
309.18112	50.5
310.18451	0.6
314.59985	0.4
333.00134	0.3
333.71683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.7
56.05025	3.0
58.06602	6.1
58.99591	17.2
61.01145	2.9
63.94527	2.3
66.63008	2.5
68.05023	8.0
69.03415	6.2
69.48325	2.2
70.02961	15.2
70.06587	6.2
71.05003	2.6
71.08214	4.5
71.08565	2.2
72.04507	10.4
72.08164	2.5
73.81303	2.1
74.00665	5.2
76.02240	16.1
76.04008	8.3
80.05014	6.8
81.07050	5.2
84.04494	8.2
84.08131	9.1
85.01138	26.5
85.02885	7.1
85.04045	4.3
86.00666	64.2
86.09689	6.5
86.99060	89.9
88.02213	6.0
91.05523	2.3
95.01299	2.5
95.04979	5.0
96.04476	4.6
97.01136	4.2
97.02876	4.0
97.06495	4.0
98.97581	5.7
100.02200	3.1
102.03768	8.4
102.05556	6.4
108.04447	2.3
112.02209	51.2
114.00143	3.0
114.03745	10.5
116.01704	30.6
119.02233	2.4
119.04958	4.3
126.03764	2.8
129.10269	2.5
130.03242	19.3
130.04997	6.6
132.01169	4.5
137.05946	2.9
137.08377	2.8
140.01627	4.6
142.03241	6.1
143.01672	3.7
143.02759	61.0
144.01132	7.4
147.04460	16.8
152.85666	2.2
158.02730	7.3
158.99530	3.2
159.11676	4.4
162.02151	5.2
163.03844	3.8
169.04315	16.3
170.06348	3.6
171.02200	11.9
177.00735	2.6
189.03302	100.0
215.04871	57.4
217.06384	5.8
218.11768	2.3
219.01797	3.0
233.05986	3.9
234.88640	2.3
240.07545	3.6
291.10132	4.9
309.11279	3.5
310.16528	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	309.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.2
55.01862	2.6
55.05515	7.7
57.03442	4.0
57.07068	2.8
58.06586	8.7
65.03947	4.8
67.05509	38.6
69.03417	9.3
69.07071	21.7
70.06591	9.6
71.05002	3.8
71.53252	3.6
71.53606	3.6
72.08145	8.8
73.02911	2.5
79.05499	19.5
81.03407	7.6
81.07059	68.0
83.04977	9.0
83.08607	3.5
84.04496	4.7
84.08142	10.1
85.02901	14.3
85.06568	4.4
86.09709	7.4
87.00819	2.6
91.05487	28.1
92.73512	2.4
92.75315	2.4
93.07046	21.9
94.56022	2.3
95.01328	48.3
95.04975	71.9
95.08620	11.1
97.02901	6.5
97.06557	2.7
105.07030	72.6
106.92329	2.6
107.04929	7.7
107.08617	12.5
109.02872	5.6
109.06551	7.0
109.10146	7.8
111.04444	6.2
115.05463	3.4
117.03374	6.4
117.07006	20.1
118.03737	3.6
119.04969	18.8
119.08591	32.5
120.08134	4.0
121.06519	11.8
121.10112	14.4
123.04427	69.7
125.06020	4.5
128.06235	4.4
129.07010	4.5
129.10234	3.8
131.04930	4.0
131.08569	15.9
131.78159	2.8
132.04433	2.6
133.06520	3.1
133.10139	8.2
135.04436	9.7
135.08060	39.5
135.11691	6.7
137.05972	42.5
141.07047	2.4
144.09355	12.1
145.02852	8.1
145.06514	9.8
145.10133	12.7
146.03174	8.7
147.04428	82.0
147.05493	6.0
147.08051	8.2
149.05992	30.0
149.09653	5.2
149.13228	15.7
151.07585	3.0
157.10150	3.1
159.11691	100.0
161.05995	4.6
161.13245	10.7
163.03897	15.4
163.07593	13.4
172.08873	3.6
175.07561	3.1
177.05441	24.2
177.12737	20.9
178.05801	23.0
187.11205	10.5
189.05560	4.2
195.13681	3.7
203.06963	3.9
205.12247	79.2
223.13309	4.1
231.06474	3.7
291.12430	5.0
300.11310	3.2
309.09686	3.7
309.14749	4.4
309.18240	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	309.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
53.03950	1.9
55.01871	0.5
57.03422	0.8
58.06586	0.2
63.84077	0.2
65.03934	0.5
67.05511	0.4
69.03086	0.3
69.03437	4.3
69.07063	0.4
71.04996	1.1
71.53614	0.4
73.02905	0.6
81.03424	15.9
81.07057	0.6
83.01850	0.2
85.02910	5.7
90.53210	0.2
91.05487	9.5
93.07037	0.6
95.04971	0.3
95.08611	1.0
97.02910	1.3
99.04452	1.5
105.07030	0.5
107.08607	0.5
109.02885	14.4
109.10168	0.6
117.07021	0.2
119.04948	24.2
119.08592	0.6
120.05375	0.2
123.04428	0.3
123.76992	0.2
127.03913	1.9
137.09595	0.3
141.29991	0.2
144.30646	0.2
147.04417	100.0
147.08054	1.5
148.04727	0.5
165.05486	4.0
165.06874	0.3
165.09100	0.6
184.50357	0.2
185.05923	0.2
249.07468	0.4
277.08871	0.4
291.08652	15.4
309.09595	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.2
53.03953	1.4
55.01867	0.3
56.05019	0.2
57.03434	0.9
58.06604	0.2
65.03935	0.5
67.05492	0.5
69.03437	4.6
70.06592	0.7
70.82375	0.5
71.01339	0.2
71.04993	0.7
73.02922	0.4
79.05492	0.4
81.03428	14.7
81.07057	0.7
84.08163	0.3
84.33051	0.2
85.02431	0.4
85.02915	4.9
85.06568	0.5
91.05495	9.4
93.07059	0.5
95.04988	0.3
95.08625	0.4
97.02912	1.4
99.04478	1.4
99.08129	0.2
105.03408	2.1
105.07042	0.6
107.04973	0.5
107.08552	0.2
109.02895	6.8
109.10162	0.7
116.07112	0.3
119.04957	24.5
119.08618	0.6
123.04420	0.3
127.03925	1.3
133.06490	0.2
134.03496	0.2
135.04430	0.2
145.06551	0.2
147.04425	100.0
147.08035	1.3
148.04788	0.5
151.03917	0.9
165.05490	4.1
165.09192	0.3
168.52831	0.2
176.07088	0.7
177.05545	0.3
218.40326	0.2
247.07454	0.2
249.07564	0.6
273.14929	0.9
291.08670	16.0
309.09729	2.1
309.21368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68203	0.3
53.03950	1.3
57.03428	1.0
61.02934	0.4
64.39028	0.2
65.03937	0.5
67.05500	0.7
69.03085	0.3
69.03436	4.1
69.37911	1.8
70.06619	0.3
70.72730	0.3
71.04987	0.9
73.02904	0.6
79.05488	0.8
81.03426	10.4
81.07063	0.6
83.05016	0.3
84.08167	0.4
85.02435	0.5
85.02915	6.7
86.09647	0.3
91.05488	9.2
93.07059	0.7
95.08603	0.9
97.02907	1.3
97.06551	0.3
98.97586	0.5
99.04471	1.1
105.07063	0.4
107.04894	0.3
109.02888	11.8
109.10154	0.6
117.07014	0.4
119.04951	23.3
119.08601	0.7
119.33644	0.3
121.10109	0.3
127.03915	1.4
129.05452	0.6
129.07028	0.7
133.10107	0.3
135.08110	0.3
137.05875	0.4
137.09605	0.6
139.07616	0.3
139.60118	0.3
147.04420	100.0
147.08089	1.4
148.04865	0.3
165.05504	3.5
165.09171	0.9
175.07529	0.2
182.15471	0.3
187.07500	0.3
205.06638	0.3
206.07333	0.4
219.08083	0.4
221.09387	0.3
248.08487	0.3
249.09421	0.5
270.53394	0.2
276.07706	0.3
277.08594	0.9
279.10217	0.3
281.11783	1.2
291.08627	8.3
309.11121	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	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
53.63422	0.1
55.01860	0.4
55.05504	0.7
57.03430	0.7
57.07085	0.3
59.05004	0.2
61.02917	0.3
65.03941	0.7
67.05505	0.7
69.03431	3.9
69.07059	1.1
69.38988	1.3
71.05006	0.8
73.02898	0.2
79.05482	0.7
81.03421	8.8
81.07050	1.7
83.04967	0.2
83.08618	0.6
84.08107	0.2
85.02910	3.9
85.06523	0.2
91.05484	8.2
93.07047	0.6
95.04984	0.3
95.08613	1.9
97.02914	1.1
97.06509	0.3
97.10155	0.2
98.98456	0.2
99.04450	1.0
100.11254	0.6
105.03389	0.5
105.07047	0.7
107.04966	0.2
107.08590	0.5
109.02883	6.5
109.10156	1.2
111.08079	0.5
113.05949	0.2
116.33751	0.2
119.04945	23.4
119.08594	0.5
121.10142	0.5
123.11716	0.8
127.03925	1.1
135.11742	0.2
137.09628	0.2
147.04414	100.0
148.04755	0.6
149.13286	0.2
163.14748	0.2
165.05475	3.1
165.09094	0.4
174.05502	0.5
175.07767	0.2
177.05449	0.2
182.15417	0.8
210.14951	0.3
219.08092	0.2
234.06712	0.5
251.07048	0.3
277.08533	0.6
281.11618	0.3
291.08618	8.9
291.26868	0.5
309.09534	2.0
309.21729	0.4
309.27884	0.3
312.96646	0.2
313.65500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.5
55.05496	6.9
57.03198	2.8
57.03447	39.7
57.07089	3.3
58.06604	4.1
67.05502	7.2
69.03421	3.2
69.07054	4.1
71.07375	4.5
71.52737	2.5
72.08162	44.6
78.28111	1.7
79.05499	23.5
81.03410	4.8
81.07059	12.0
84.60149	2.0
85.02911	2.4
85.06542	3.1
91.04969	3.3
91.05489	36.3
93.07057	6.3
95.04970	6.2
95.08614	5.1
99.08101	3.2
105.07034	13.8
106.06588	2.4
107.04962	52.1
107.08615	16.8
111.60258	1.8
117.07047	14.2
119.08595	46.6
121.06512	3.4
121.10166	2.6
123.04414	4.7
125.09649	6.8
129.07034	10.8
130.07787	2.4
131.04924	6.5
131.08604	9.7
133.06494	3.3
133.10121	7.6
134.06029	25.9
135.08104	5.3
135.11771	2.7
144.08124	2.3
145.06467	5.7
145.10100	8.8
147.08060	33.9
151.11182	1.8
151.44980	2.4
159.08078	2.9
159.11676	5.8
163.11197	7.5
165.11528	3.9
173.13295	7.0
174.09142	3.1
183.11743	3.0
191.14238	3.8
201.12784	7.1
219.13786	15.6
237.14952	16.2
278.09970	2.5
290.21164	100.0
308.10507	2.0
308.19122	2.5
308.22296	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	308.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	34.3
57.03438	10.1
59.05005	7.3
67.05507	36.7
69.06780	6.5
69.07075	57.4
71.04988	12.8
71.52637	10.8
76.02222	9.9
79.05505	29.7
81.07063	39.2
83.04992	6.4
83.08610	17.1
91.05437	39.0
92.05837	16.6
93.07041	55.9
95.04982	9.9
95.08598	19.3
95.09174	6.3
96.08962	8.2
97.10162	8.7
99.08154	6.2
103.05474	5.9
105.07034	48.8
106.07403	13.2
107.04983	10.4
107.08592	33.8
109.06523	11.5
109.10157	16.3
111.11704	37.6
117.07021	21.1
118.07387	7.6
119.08573	19.0
120.08939	10.7
121.06489	14.3
121.10176	6.3
123.08107	12.7
125.09657	6.5
129.07248	10.4
131.08592	12.4
133.06488	9.9
133.10170	13.4
134.10480	15.0
135.04427	20.0
135.07980	6.3
135.11703	37.5
143.08592	6.0
144.08092	10.3
145.06487	16.2
145.10098	8.4
146.10469	7.4
147.08046	13.4
147.11739	9.8
148.12051	12.7
149.09587	6.8
151.07495	6.6
157.06494	13.1
159.08096	7.8
160.08423	12.7
163.07632	9.6
164.07938	7.8
171.11856	12.7
173.09624	12.6
187.11143	13.1
189.09244	7.7
189.11130	6.2
199.11235	57.1
217.12268	8.2
250.18845	7.3
254.16217	6.8
255.17412	23.8
267.09100	10.5
272.17175	6.5
276.20465	41.2
285.10352	9.7
288.80313	7.1
290.18277	27.8
290.21512	12.4
308.06479	7.4
308.09885	15.5
308.19705	8.6
308.23053	100.0
309.11063	9.3
329.79639	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	308.2222
Annotation	Paniculine
Peak:m/z	Relative Intensity
51.70093	0.7
53.03952	4.8
55.01870	3.1
55.05520	6.9
57.07070	0.8
57.49041	0.7
58.06601	1.8
59.04997	1.8
66.04717	2.2
67.05508	11.4
69.03442	1.4
69.07065	2.0
69.80545	4.0
71.05000	3.6
71.07381	3.8
72.08160	36.4
78.35558	0.8
79.05499	34.4
81.03416	6.5
81.07063	15.9
83.04958	2.0
83.08615	1.9
85.06548	3.2
91.05487	28.8
93.07058	15.2
94.04191	1.5
95.04973	11.7
95.08632	5.9
97.02884	0.9
97.06541	2.4
99.08108	2.5
105.04556	1.6
105.07037	21.1
106.06551	0.8
107.04967	52.9
107.08607	8.9
109.06525	2.5
110.38173	0.8
111.08091	1.6
114.76172	0.7
115.05477	1.7
117.07022	16.6
117.07851	0.9
119.04928	2.4
119.08582	10.9
120.04510	3.6
121.06490	2.3
121.10133	1.8
123.04444	2.6
123.08112	0.8
125.09653	4.0
128.06209	1.5
129.07056	2.6
131.04970	1.0
131.08582	21.3
133.06506	2.6
133.09105	1.6
133.10138	32.3
134.06017	5.2
137.05981	1.2
137.09616	1.2
139.07611	0.8
141.06967	2.1
143.08568	7.9
144.09286	1.2
145.06511	7.1
145.10133	10.2
147.11673	2.3
148.07574	0.8
149.09642	1.9
149.13281	2.8
155.08571	2.9
157.10132	2.1
158.10924	1.1
159.08057	6.3
159.11696	6.2
161.09639	10.9
165.11508	7.4
166.12234	0.9
173.09683	0.8
173.13269	23.0
173.14706	1.5
177.12769	3.3
183.11748	4.1
191.14319	2.2
201.12770	9.8
219.13840	10.6
237.14871	13.3
272.19946	1.3
290.21164	100.0
291.21521	1.0
308.09961	1.8
308.22293	12.7
308.26065	1.4
308.26688	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01874	2.3
55.05519	3.1
57.03432	1.6
57.07063	1.6
58.06607	7.6
61.73689	0.5
63.78892	0.5
65.03947	1.1
67.05511	24.4
69.03436	1.5
69.07071	7.1
69.75116	2.9
70.06602	11.8
79.05499	10.3
81.03428	4.1
81.07062	12.5
83.04974	0.6
85.06551	1.3
88.07641	24.3
90.43670	0.5
91.05490	19.7
93.07050	7.8
95.04975	13.5
95.08621	6.9
96.04491	0.5
97.06552	1.1
103.05531	0.6
105.03403	0.5
105.07037	11.2
106.06564	7.9
106.08681	3.0
107.04965	5.1
107.08607	5.2
109.06531	1.3
109.10176	3.1
115.05473	0.9
116.04989	6.1
117.07027	5.1
119.04908	0.6
119.06101	1.1
119.08594	15.4
121.06525	5.2
121.10142	2.2
123.08070	2.3
128.06258	2.9
129.07031	4.9
131.08583	17.2
133.06506	2.5
133.10141	5.7
134.06029	100.0
135.06421	0.8
135.08072	6.3
137.05927	0.6
141.07019	0.6
142.07837	0.7
143.08546	5.4
144.08095	11.5
145.10133	1.9
147.08086	4.7
147.11700	3.7
149.09631	1.4
155.08546	0.7
157.10139	2.7
159.11684	2.2
161.09624	0.7
165.10262	1.3
175.12488	2.6
175.14832	3.5
181.10950	0.6
185.13289	5.5
201.10201	0.8
203.14322	5.2
220.17064	0.7
248.19775	0.5
272.20184	0.6
276.16028	0.9
290.16434	1.9
290.21198	13.9
308.17645	8.9
308.22211	11.9
334.54025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.8
53.03947	3.9
55.01865	1.1
55.05509	3.8
56.05040	4.6
57.03430	1.1
60.04531	4.3
65.03941	2.7
67.05511	21.7
67.91154	0.7
69.07078	2.9
71.11259	1.6
73.06579	1.0
74.05413	0.8
74.06091	13.2
77.03927	1.4
79.05499	100.0
81.03423	1.4
81.07066	23.9
83.04984	1.0
84.04520	4.3
88.62619	0.8
91.05489	55.9
93.03379	1.2
93.07043	12.3
95.04977	16.4
97.06531	3.9
102.05546	6.2
103.05477	0.7
105.04479	1.1
105.07040	50.3
106.06574	2.3
107.04971	8.8
107.08601	54.5
109.06553	2.8
116.04984	2.2
116.06314	0.8
116.07100	19.1
117.07026	3.4
119.04938	1.0
119.06073	2.3
119.08596	20.0
121.06534	1.0
129.07014	5.1
131.08580	12.0
133.06528	2.9
133.10153	19.2
133.11105	1.4
134.06029	33.5
134.08130	28.7
142.07820	3.3
144.08107	3.6
145.10175	1.8
147.08070	6.4
147.11700	52.5
149.13242	0.9
157.10182	3.7
175.11188	12.9
175.12512	1.4
189.22197	0.8
236.10391	0.7
248.16475	16.5
259.49664	0.7
290.17642	2.3
308.18570	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	308.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01862	0.2
55.05501	0.4
56.05036	0.8
57.03444	0.4
60.04522	1.1
65.03942	0.6
67.05506	2.3
69.03445	0.2
69.07069	0.3
69.85230	0.9
73.26476	0.2
74.06081	3.2
79.05496	28.0
81.03430	0.2
81.07059	3.1
83.04974	0.4
84.04515	0.6
85.86749	0.2
86.05589	0.2
86.06075	3.3
91.05485	7.9
93.07052	2.0
95.04973	3.3
97.06535	0.4
102.05559	1.2
105.04516	0.3
105.07036	6.5
106.06570	0.6
107.04953	1.8
107.08600	22.2
107.19923	0.2
109.06521	0.9
115.12619	0.2
116.04984	0.3
116.07095	5.0
117.07007	0.2
119.06063	0.7
119.08594	1.8
129.07008	0.6
131.08568	2.7
133.06509	0.8
133.10132	3.9
134.06023	7.9
134.08133	5.2
135.04475	0.2
142.07796	0.6
144.08099	0.8
147.08070	1.2
147.11694	6.1
157.10123	0.9
165.07013	0.7
175.11179	4.4
177.07092	0.2
178.07776	2.4
179.08545	0.8
189.06926	0.9
190.07791	4.5
191.08559	38.0
192.09003	0.4
193.10147	2.5
201.07095	1.0
201.10260	0.2
202.07745	2.4
203.08569	4.3
205.06444	0.8
205.10007	0.2
206.07225	0.4
207.08025	2.0
217.06413	0.4
218.07266	0.8
218.09636	0.7
219.08064	31.9
220.08501	0.4
221.06020	0.3
221.09566	1.5
222.06750	0.2
229.07597	3.0
231.08003	1.5
232.08911	0.3
234.06776	0.4
235.07565	1.3
236.10725	2.5
247.07594	1.0
248.08380	0.3
248.16464	2.7
249.09113	100.0
250.09445	1.2
263.06949	0.8
265.08566	1.2
266.11743	3.8
275.07153	0.2
277.08505	0.4
278.05896	0.2
278.09082	0.3
278.11868	0.8
290.17401	0.7
291.10150	0.8
291.15659	0.4
293.08032	1.5
307.09567	0.2
308.10159	3.2
308.12808	12.9
308.18152	3.2
309.11081	0.2
314.59518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
51.02384	0.5
51.69093	0.2
52.99959	0.2
53.03952	3.2
54.08021	0.2
55.79414	0.2
64.30273	0.2
67.56424	0.2
69.07079	4.0
69.43510	0.2
71.06673	0.5
77.03921	1.1
79.05499	0.7
81.07044	0.3
91.05490	1.7
93.49177	0.2
95.04967	3.2
105.03401	100.0
105.04550	2.5
106.03712	0.4
106.06551	2.5
107.04971	0.5
107.08614	0.4
116.04973	2.2
116.43303	0.3
119.04932	0.5
129.35449	0.2
130.16547	0.2
134.06026	34.8
144.08090	4.5
165.10233	0.7
175.12294	0.8
193.07611	0.3
197.09706	0.5
201.10257	0.2
238.39137	0.3
240.10220	19.2
247.12543	0.2
249.09032	0.9
290.16476	0.4
290.21136	0.3
308.13870	2.3
308.17499	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1759
Annotation	Arboflorine
Peak:m/z	Relative Intensity
53.03944	0.3
53.90333	0.2
56.15308	0.2
64.92076	0.2
67.05501	0.2
69.38242	0.4
69.38645	1.1
79.05497	2.1
79.94905	0.2
80.96110	0.2
89.58130	0.2
91.05486	4.2
97.78562	0.2
105.03402	0.4
105.04557	0.2
106.04214	0.2
106.06558	7.9
107.04958	0.2
109.06497	0.5
116.04987	6.2
117.07040	0.2
119.06091	0.5
132.04477	0.4
132.08116	0.6
134.06021	100.0
135.06343	0.3
144.08096	10.5
165.10228	2.0
173.10678	0.2
175.12311	2.6
188.59926	0.2
194.98549	0.2
201.10220	0.8
228.42461	0.2
260.80490	0.2
288.52896	0.2
290.16522	1.3
308.17578	8.3
308.21191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09206	1.3
51.61982	1.5
52.33814	1.3
52.92112	1.3
53.03935	2.0
55.05521	13.0
58.06605	31.4
58.99576	6.3
67.05511	5.2
69.03439	3.3
69.07069	4.6
70.06599	8.1
71.05006	13.9
71.51366	2.4
72.08141	3.9
74.06053	1.4
76.02234	13.2
79.05496	19.4
81.03413	2.9
81.07066	100.0
83.04989	14.9
84.04504	3.1
84.08150	37.4
85.02904	5.3
85.06534	3.0
86.00675	2.4
86.09711	4.1
86.99061	4.9
88.03999	2.8
89.06032	1.7
91.05494	4.1
93.07055	9.2
95.04980	5.1
95.08605	4.0
96.38618	1.3
97.06525	6.1
105.00103	7.0
105.07029	4.0
106.04218	1.7
107.08604	9.4
109.06548	4.4
109.10168	9.9
110.07133	2.4
111.02673	2.7
113.04218	1.7
113.05991	2.9
113.07183	1.5
116.07127	1.8
117.03272	1.6
119.04965	3.2
120.08125	22.2
121.10107	2.2
122.02735	56.6
122.20898	1.3
123.02759	1.3
123.04444	6.5
123.11724	18.4
125.09623	2.1
127.03945	2.0
127.11258	3.3
128.07082	3.1
129.10262	2.9
130.06526	3.3
131.06926	2.9
132.01173	6.0
133.10149	4.3
139.03908	4.8
140.04248	3.9
143.10683	2.0
144.10210	23.7
145.02895	5.8
146.06032	4.5
146.11710	2.4
147.04419	5.6
151.11176	14.8
156.07729	1.7
157.07719	2.0
159.06419	1.5
163.03906	4.3
165.05484	2.2
169.12254	31.5
172.06311	1.8
177.05472	11.9
177.09190	2.1
179.04845	2.4
186.05894	4.1
189.09135	5.4
191.11807	5.6
201.09232	3.9
203.07138	3.0
205.08662	3.5
207.10129	4.7
217.08629	3.8
220.09677	1.7
233.07600	2.8
237.11279	3.9
245.08228	2.1
254.11935	1.8
263.09189	2.2
272.13159	16.2
290.14258	11.7
308.15027	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
55.05517	8.7
56.05035	0.6
57.03432	2.6
58.06595	0.8
59.43167	0.4
60.92754	0.4
61.02916	1.6
63.15946	0.5
65.47189	0.4
69.03435	5.5
69.52350	2.9
69.52780	0.7
70.06600	15.0
71.01361	2.9
71.04989	1.3
72.08139	0.5
73.02900	1.2
74.02358	0.5
76.02220	1.2
79.60121	0.4
81.03431	1.1
82.06590	12.7
82.07079	0.8
84.04483	0.5
84.08149	8.3
85.02438	0.8
85.02911	10.3
89.17134	0.5
96.71441	0.5
97.02901	3.9
99.00565	0.4
99.04452	0.7
99.28077	0.5
100.07626	40.4
109.02850	1.0
110.06052	21.6
114.72459	0.5
115.03906	0.8
127.03934	1.6
128.07089	28.8
130.08655	3.5
145.04987	1.7
146.08134	100.0
151.11174	0.5
162.02260	0.6
164.75630	0.4
169.12244	1.0
179.04965	1.0
308.13718	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1491
Annotation	Catuabine G
Peak:m/z	Relative Intensity
54.23380	0.4
55.05519	1.9
56.05038	0.6
56.96561	1.2
57.03436	0.8
57.13410	0.3
58.06358	0.3
58.06602	4.1
58.99579	0.4
59.90080	0.3
61.02923	0.4
61.07300	0.3
69.03429	2.0
69.34214	2.8
70.06593	6.1
71.04990	0.6
72.08153	0.9
73.02908	0.5
76.02202	0.6
79.05473	1.0
81.03407	0.9
81.07053	0.4
82.06593	2.0
83.04968	0.4
84.04491	1.0
84.08150	2.4
84.96053	0.5
85.02905	3.5
86.03207	0.4
86.09686	0.9
89.03918	3.1
91.05450	0.8
93.07030	0.8
95.04961	0.5
97.02885	1.6
97.06535	0.5
98.97581	4.6
99.04449	0.5
100.07627	5.6
105.07018	0.5
107.04961	0.9
107.08651	0.4
107.48108	0.3
109.02892	0.5
110.06056	2.9
110.07175	0.7
110.97549	1.1
111.04453	0.5
114.05508	0.6
115.05455	0.5
116.07128	0.6
116.98622	1.6
117.03383	2.2
117.06992	1.3
120.08086	0.6
122.02705	0.5
127.03899	1.2
128.06241	0.5
128.07091	4.4
128.96291	0.3
128.98622	0.9
129.05521	0.4
129.07005	4.0
130.06496	0.6
130.08652	0.5
131.06903	0.9
131.08543	1.2
133.06448	0.4
134.99677	0.5
135.04414	3.8
137.05984	0.5
143.00169	0.7
144.08159	0.5
145.02841	3.4
145.04892	0.6
146.06044	8.9
146.08116	14.0
151.11115	0.5
152.98592	0.5
155.08614	0.4
158.06029	0.7
158.08029	0.8
158.09651	0.3
158.99644	1.1
159.06479	0.5
160.07545	0.5
160.11197	0.7
161.01161	0.4
163.03918	19.3
164.04247	0.9
165.19028	0.4
169.12221	0.4
173.07114	1.0
177.00697	0.4
177.05492	0.6
179.04865	0.6
184.11198	2.2
186.12785	4.7
187.08676	0.4
198.12749	1.3
200.14380	1.0
200.72719	0.4
205.10919	2.5
219.01727	1.4
225.04128	0.4
230.11812	4.0
231.12560	5.2
233.07420	1.1
237.02844	1.8
242.11665	0.5
244.13374	5.5
245.14049	0.9
246.14943	0.5
248.12804	0.9
261.06653	0.5
262.14288	3.6
264.12280	0.6
272.12924	0.4
279.07492	5.1
290.13873	22.1
297.08710	0.7
308.14929	100.0
309.15247	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47557	0.1
54.18463	0.1
55.05506	0.2
57.03424	0.2
57.66364	0.1
58.99578	0.3
60.04486	0.1
61.67158	0.1
63.46087	0.1
66.10835	0.1
66.88874	0.1
69.07058	0.2
70.01131	0.4
70.06602	1.3
72.08150	0.8
76.02241	1.2
79.05492	0.2
81.07059	0.2
84.04501	0.7
84.08154	1.0
85.02908	0.2
86.09724	1.1
91.05480	0.7
93.07050	0.3
97.02876	0.2
100.39508	0.1
102.05547	0.2
105.07037	0.2
107.08600	0.2
111.08106	0.3
114.05526	0.3
116.01677	0.2
116.07108	0.2
118.06553	0.7
119.08551	0.1
120.08102	0.4
122.02734	0.4
124.95525	0.1
129.10297	0.3
130.05022	0.2
130.06558	0.5
142.03288	0.2
145.02876	0.2
145.05251	0.1
146.06026	100.0
147.04428	0.3
147.06396	0.4
158.06020	0.2
162.02219	0.5
169.12198	0.2
173.12830	0.3
176.07082	0.8
177.05522	0.6
179.04892	0.6
179.06383	0.1
189.75072	0.1
216.37204	0.1
217.98160	0.1
222.07588	0.2
233.06018	0.3
283.78220	0.2
308.11490	1.7
308.15076	0.2
308.18765	0.7
308.22333	0.2
310.71060	0.1
314.81589	0.1
323.25650	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86850	0.3
55.05527	0.4
63.09849	0.3
63.48230	0.3
63.95739	0.3
67.69482	0.3
70.14848	1.1
70.15258	0.6
76.43342	0.3
81.07062	0.3
82.70557	0.3
86.06088	3.0
90.84833	0.3
92.60661	0.3
93.07075	0.3
134.06042	0.9
135.04430	1.0
143.04950	0.6
144.31815	0.3
152.06213	0.3
154.44124	0.4
165.07001	1.0
171.04477	0.4
172.05212	0.7
177.06949	0.5
178.07779	2.9
179.04942	0.3
179.08600	2.3
189.06981	2.5
190.07770	3.8
191.08583	37.0
192.09047	0.4
193.10178	2.8
201.07021	0.9
202.07797	2.7
203.08568	4.2
205.06531	1.2
206.07315	1.0
207.08066	5.8
209.09691	0.3
217.06496	1.4
218.07326	2.1
218.09280	0.4
219.08084	30.9
220.08659	0.7
221.06030	0.5
221.09587	1.7
222.06857	0.8
223.07576	0.4
229.07620	3.1
231.08049	1.4
231.79169	0.3
232.08842	0.5
233.09694	0.6
234.06812	0.6
235.07578	9.4
236.10785	1.8
237.09151	1.1
245.06145	0.4
246.06793	0.7
247.07567	3.2
248.08322	1.2
249.09146	100.0
250.06277	1.4
250.09706	1.3
259.07422	0.4
261.09088	1.0
262.06363	0.6
263.07101	5.9
264.07782	0.7
265.08630	6.3
266.11792	4.1
267.95065	0.3
272.17279	0.4
275.07047	2.4
276.07916	0.7
277.08591	2.7
278.05771	1.1
278.09341	1.9
278.11935	0.8
279.10056	0.5
291.10217	2.2
292.07193	0.7
293.08127	10.1
307.09769	1.7
308.10419	36.4
308.12970	8.4
309.10980	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	307.2634
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03946	2.2
55.05516	13.2
57.03418	1.4
57.07085	7.7
59.63837	0.8
66.41743	0.8
67.05510	19.6
69.03426	1.6
69.07074	39.4
71.04980	3.2
71.08624	1.9
71.52541	1.4
71.98587	0.8
79.05499	7.9
81.03432	6.1
81.07066	49.2
83.04990	5.6
83.08624	15.0
85.06539	1.5
90.92961	0.8
91.05507	5.7
91.19791	1.0
93.07054	15.0
95.04980	24.2
95.08616	39.7
97.06555	4.8
97.10175	10.2
99.04443	1.0
99.08090	1.3
99.31014	0.9
101.28507	0.9
105.07036	10.7
106.81258	0.9
107.08606	15.2
109.06538	5.8
109.10168	25.2
111.08079	3.5
111.11744	7.6
113.06003	2.8
117.07008	1.3
119.08608	9.4
121.06518	1.4
121.10165	11.7
123.08073	1.6
123.11709	15.6
125.09612	1.4
125.13274	2.8
127.07571	2.5
131.08527	1.3
133.10138	10.0
135.11726	8.7
137.09624	2.0
137.13277	8.8
139.11201	2.2
143.08609	1.1
145.10155	2.7
147.11681	6.2
149.13240	5.4
151.11206	2.6
151.14806	1.6
153.12753	1.5
159.11711	2.7
161.13300	4.9
161.49123	1.0
163.14835	3.8
165.12762	2.3
169.12224	1.1
173.13219	1.5
175.14818	3.0
177.16428	1.7
178.30688	0.8
179.14343	1.0
187.14862	1.9
189.16411	1.6
201.16515	1.0
203.17952	1.4
205.19539	1.2
207.17519	1.0
215.06989	1.3
215.17871	1.1
245.22675	1.8
247.24103	1.1
271.24252	5.5
277.25171	1.1
289.17993	1.1
289.25293	16.1
292.07532	0.9
307.06458	1.0
307.09683	4.9
307.26343	100.0
314.65390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14577	2.6
54.72435	2.8
55.05513	10.0
63.13125	2.5
65.03926	3.7
65.74357	2.5
67.05511	20.0
69.03448	5.6
69.07081	15.0
70.49129	8.5
71.08631	9.5
79.05505	69.0
81.03416	4.8
81.07070	19.1
83.08657	3.9
84.04515	5.1
88.11283	10.3
91.05504	22.0
93.07073	25.8
94.38955	3.0
95.08632	12.6
98.06046	17.1
103.17916	2.9
105.07047	22.0
107.08613	51.7
108.60235	3.1
112.07616	5.2
119.08607	5.1
119.34476	2.7
121.10158	4.3
131.08592	8.3
133.10153	30.7
134.05974	5.2
137.05960	3.9
147.11707	18.1
149.13260	30.2
155.13046	2.6
168.13875	15.9
175.11218	10.5
186.00291	2.8
199.04744	2.9
262.21683	100.0
272.10074	3.1
307.28287	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.2
55.01865	16.4
55.05276	5.7
55.05515	82.9
57.03449	4.9
67.05512	54.9
69.03426	7.0
69.07072	24.1
71.04997	8.6
79.05500	100.0
81.03416	6.3
81.07069	59.5
83.04987	27.4
83.08628	35.7
85.06557	4.2
91.05486	38.7
93.07050	58.5
95.04963	12.8
95.08613	24.2
97.06537	14.8
97.10188	42.1
98.21528	9.1
105.07057	45.4
107.04305	4.7
107.04972	46.8
107.08607	99.4
109.06530	7.6
109.10194	30.4
111.08102	6.3
117.07027	13.5
119.08592	31.3
121.06529	3.8
121.10165	23.8
123.08080	4.3
123.11707	6.6
125.09632	70.8
131.08604	20.3
133.10168	28.5
135.08044	23.5
135.11667	8.5
145.10085	11.5
147.11676	15.0
149.08577	5.9
149.09647	70.7
153.09132	19.5
154.34029	3.4
157.12250	8.9
159.11700	17.6
161.13240	8.0
163.14812	5.5
169.12318	4.3
173.11783	4.5
173.13202	9.1
177.12787	4.5
187.11273	5.3
187.13289	5.8
191.14514	4.0
199.22804	3.9
203.12793	53.0
209.15468	10.9
229.19516	9.1
239.17839	4.4
248.96806	4.0
255.29602	3.9
257.18991	15.3
275.20074	85.2
307.09500	6.1
307.22699	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	307.2271
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03949	2.1
55.01865	4.3
55.05319	1.0
55.05518	12.8
57.03417	1.4
57.07066	1.3
59.04995	3.1
64.13155	1.1
66.49667	1.1
67.05514	18.7
69.03431	2.2
69.07076	10.2
70.06608	1.7
71.04993	8.3
71.52429	1.6
72.08143	2.8
73.06547	1.5
79.05501	17.3
81.03435	1.3
81.07066	21.5
83.04988	1.5
83.08628	5.8
85.06548	3.0
87.04464	2.3
91.05494	27.0
93.07052	21.7
95.04976	5.2
95.08613	13.4
97.06540	8.4
97.10206	2.9
98.98493	1.2
99.08134	2.5
99.64922	1.1
105.07041	35.3
107.04955	3.5
107.08597	13.8
109.06530	11.8
109.10178	9.8
111.04436	1.3
111.08077	3.3
117.07037	8.1
119.08597	28.3
119.09439	0.9
121.02888	6.4
121.06512	6.9
121.10163	10.1
123.08105	10.0
123.11688	2.1
125.09637	4.3
129.07019	2.5
130.13701	1.0
131.08574	9.7
133.10158	19.1
134.10542	1.0
135.08052	6.0
135.11685	5.4
136.08801	1.1
137.09660	7.5
139.11177	1.8
143.08562	1.8
145.10149	9.6
147.08081	2.2
147.11690	14.4
149.09641	5.7
149.13322	1.6
151.11201	11.1
155.08620	1.8
157.10133	2.8
159.11691	6.8
161.09662	1.4
161.13264	3.4
163.11203	6.4
165.12820	8.8
169.10204	1.8
171.11674	2.8
173.13258	4.5
175.11157	1.3
175.14969	1.3
177.12762	3.7
179.14333	3.2
183.11667	2.5
185.13316	1.3
187.11253	1.2
187.14899	2.0
191.14255	1.3
197.13293	3.2
201.12750	1.8
203.14442	1.5
213.05510	2.3
213.16385	1.1
215.18024	1.4
218.07297	1.3
229.19658	2.8
230.45453	1.1
231.20268	1.0
233.15341	1.8
236.20233	3.1
239.18008	6.2
246.06853	1.6
247.07581	3.6
247.20599	2.7
249.18561	2.8
257.19043	9.2
264.07751	1.6
275.20099	46.0
277.08771	1.5
289.08685	1.6
289.18024	2.7
289.21356	2.1
292.07541	2.6
307.09674	20.4
307.22729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.25315	1.9
53.03954	11.2
55.01867	7.4
55.05518	19.2
57.03429	7.1
59.96937	1.8
65.03946	4.1
67.05511	22.0
69.03432	3.0
69.07050	9.5
69.64781	1.9
70.06589	2.8
71.04986	2.4
71.52084	3.2
75.08682	2.1
79.05501	24.3
81.03416	7.8
81.07059	23.5
83.04986	8.1
83.08625	10.6
83.82455	1.8
85.06580	3.0
91.05494	48.9
93.07050	82.0
95.04984	24.2
95.08617	20.8
97.06524	4.2
97.10181	8.6
98.98515	2.2
99.73473	1.9
103.05484	15.7
105.04530	3.2
105.07047	20.8
107.04967	20.8
107.08595	13.5
109.02885	7.6
109.06511	7.4
109.10167	6.9
111.04499	2.2
111.08120	2.2
117.07056	9.6
119.08615	14.6
121.02898	15.6
121.06519	100.0
121.10167	9.9
123.08096	5.3
123.11732	3.3
125.09634	8.8
129.07031	4.5
131.08589	12.4
133.06497	8.1
133.10153	6.3
135.04405	3.5
135.08080	10.9
135.11708	3.4
137.06012	4.1
137.09615	5.9
143.08586	4.0
145.10170	5.8
147.08073	8.3
149.06050	4.5
149.09628	10.2
151.07512	3.7
151.11267	2.3
153.09024	2.3
157.10155	2.7
159.08080	8.6
159.11722	4.2
161.09636	4.0
163.07568	16.2
167.10666	5.2
171.11748	2.7
173.09628	3.6
177.09174	4.4
183.11562	2.9
187.14844	2.8
189.11240	3.9
189.12762	2.1
191.10779	2.6
193.12361	2.4
197.13283	2.0
201.16508	2.5
205.12299	1.9
215.14359	3.5
227.47740	2.3
233.15350	3.7
243.17526	4.1
247.07390	2.1
261.18549	6.2
265.07373	3.0
266.11502	2.2
271.16916	11.2
289.18008	47.4
289.21307	2.6
307.09579	8.0
307.19119	21.5
307.26654	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	307.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08328	0.4
51.51515	0.5
54.93771	0.4
56.05041	2.8
58.06606	4.5
61.01143	0.5
69.84819	2.2
70.06588	1.1
71.04969	0.5
72.80000	0.4
74.06084	0.6
84.04516	24.1
84.08153	100.0
85.02949	0.7
85.08498	0.7
86.06073	7.1
86.09720	6.4
88.04015	2.2
98.09699	0.7
104.55931	0.4
109.95757	0.4
114.05511	0.4
120.36755	0.4
130.08652	1.6
131.91716	0.6
141.13879	7.7
144.10301	0.5
157.07634	1.0
158.06033	0.6
163.03847	0.6
169.13391	9.5
175.08691	0.5
198.11278	1.4
215.13936	42.3
243.17073	57.0
262.11078	3.7
280.94592	0.5
307.16873	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1906
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03958	1.6
55.01876	12.0
55.05521	38.6
57.03445	31.3
57.07080	3.7
65.03933	1.8
67.05511	38.3
69.03431	3.9
69.07077	14.1
70.07417	1.8
71.05001	2.8
71.52166	3.0
79.05502	39.0
81.03419	5.3
81.07072	26.7
81.99274	1.7
83.04991	4.9
83.08627	15.8
85.06554	4.4
91.05493	24.3
92.64465	1.5
93.07051	22.0
95.04985	10.0
95.08629	10.7
97.06542	5.4
97.10185	26.9
99.08092	2.0
103.05461	1.9
105.04541	1.7
105.07037	15.5
106.06586	1.7
107.04973	19.0
107.08603	18.7
109.06528	8.6
109.10150	11.5
111.08109	4.2
115.05464	3.5
117.07027	11.2
119.08597	17.7
121.02861	5.0
121.06507	9.2
121.10156	8.2
123.04418	2.7
123.08066	3.6
125.09639	18.8
128.06253	3.8
129.07014	5.7
131.04906	2.9
131.08595	10.6
133.06525	2.9
133.10146	5.1
134.06046	11.9
135.04398	5.1
135.08057	19.0
135.11702	2.8
137.06020	2.0
137.09616	5.8
137.13264	2.5
141.07019	2.4
142.07825	2.0
143.08607	6.0
144.05687	3.0
144.08061	3.2
145.06487	5.1
145.10175	6.3
147.08057	6.6
147.11674	3.6
149.09653	4.5
153.05499	2.6
153.09109	7.7
155.08598	3.9
157.10144	5.8
159.08090	54.3
159.11673	3.4
160.08865	3.8
161.09645	5.3
163.07578	5.7
165.12772	3.4
167.94437	1.7
169.10107	4.9
171.10263	3.2
171.11737	4.9
173.09706	6.1
173.13268	3.4
177.09178	4.7
179.08635	2.3
181.10185	2.9
183.11804	3.3
185.09625	7.0
185.13205	1.7
187.11232	2.8
187.14842	3.6
189.11221	8.2
193.10159	2.4
197.09579	3.5
197.13234	2.8
198.10039	2.1
199.11205	3.7
207.11783	2.0
209.13297	2.7
211.11183	2.5
215.14333	11.0
233.15411	22.3
235.14998	1.8
243.17456	5.0
251.14391	2.2
253.15959	10.6
261.18491	2.9
271.16983	33.5
289.17987	100.0
290.18225	2.3
290.21890	2.7
307.09634	4.4
307.12903	2.2
307.20514	8.6
307.24387	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	307.1293
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
50.33115	0.3
55.01879	1.2
57.03441	0.4
57.46109	0.3
65.59818	0.3
67.05495	0.3
69.03421	0.3
69.07072	0.7
69.50631	1.5
69.66848	0.3
70.06590	0.7
72.08160	0.4
79.05498	0.6
81.07052	0.5
81.21774	0.3
84.04534	0.5
84.08189	0.4
85.02907	0.9
86.09707	0.5
91.05482	0.7
93.07070	0.5
94.06580	0.4
96.04498	0.4
97.02917	0.5
98.06077	0.7
99.04466	0.5
103.03929	0.4
105.07083	0.5
107.08595	0.9
108.04482	1.3
120.04440	0.4
120.08118	0.4
122.06039	1.7
123.04477	0.6
124.07598	0.4
127.03930	0.7
130.06544	0.5
131.08566	0.4
133.10144	0.3
135.08054	1.9
135.09091	0.6
136.07597	1.2
138.05502	0.6
140.07098	1.3
144.08125	0.3
146.09680	0.6
147.04408	0.3
148.07571	0.5
149.07133	0.4
150.05478	0.5
150.09154	0.6
155.08476	0.3
156.08089	0.6
157.47096	0.3
158.09636	0.6
159.08102	0.4
159.09343	0.4
160.07573	1.5
162.09114	0.3
163.08667	1.4
163.57315	0.3
164.07060	0.4
168.06589	2.0
173.07146	0.5
173.10791	0.5
174.09146	2.1
175.08720	0.5
176.07132	0.6
176.10715	0.4
177.06534	0.4
177.10257	1.1
178.08665	13.3
182.08150	0.6
184.07629	1.3
185.06108	0.3
186.09317	0.4
187.08734	1.0
188.07104	3.6
191.03442	0.5
191.08151	0.7
196.09688	0.5
198.09259	1.7
200.07173	0.4
200.10794	0.6
201.06609	0.7
201.10361	2.8
202.08658	4.0
204.10252	0.6
205.09760	3.7
206.08159	2.1
209.09245	0.7
212.07175	1.0
215.08296	0.4
215.11842	0.6
216.10342	2.6
217.09683	0.4
219.07755	1.2
219.11310	4.7
220.09767	1.9
225.10275	0.4
226.08588	2.2
228.10266	0.5
229.09808	4.4
230.08157	2.8
234.07686	0.5
243.11426	1.7
244.09705	3.4
247.10823	10.3
248.09204	1.2
253.09729	0.3
254.08279	0.7
261.12430	1.4
262.10843	1.7
265.11871	12.6
271.10873	1.8
272.09216	1.4
289.11884	14.2
290.10153	0.6
307.05823	2.3
307.12921	100.0
308.13297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.05523	0.7
56.26332	0.3
57.03440	0.5
58.06607	2.4
58.85001	0.4
62.65800	0.4
67.05510	1.0
69.03425	1.6
69.07077	0.7
70.06598	1.2
70.48366	0.3
71.52789	0.5
72.08170	0.5
74.47177	0.4
77.03976	0.4
79.05505	1.3
81.03431	2.0
81.07056	2.2
83.08662	0.6
83.27477	0.4
85.02916	2.1
86.09708	0.4
91.05495	2.4
93.07076	2.0
95.04982	0.8
95.07349	0.4
95.08631	1.3
96.08135	0.5
97.02896	0.9
98.97617	0.5
99.04453	0.5
105.07034	0.8
107.04955	0.5
107.08580	0.8
108.08133	1.0
109.02872	3.3
109.06515	0.7
109.10223	0.5
115.05363	0.4
119.62971	0.4
122.06039	1.5
123.06833	1.0
123.11736	0.7
124.07603	6.1
126.05466	0.4
126.09168	5.7
127.03926	0.7
131.08580	0.5
133.06471	0.6
133.10150	0.5
135.08124	0.5
136.07593	55.9
138.09154	53.0
140.07074	1.2
142.07863	0.4
145.02872	0.5
145.05315	0.4
145.06485	2.4
152.07086	16.3
155.01050	0.6
160.07591	0.5
163.03937	1.1
163.07611	0.6
164.07085	100.0
165.07332	1.2
170.08142	5.4
181.05031	1.4
182.08145	23.2
289.15482	5.7
289.18774	0.5
289.19882	0.4
307.05576	0.6
307.08902	0.8
307.16437	2.9
307.19617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
55.01880	3.0
55.05499	4.3
56.96561	3.0
57.03426	8.3
58.06600	12.5
61.02931	4.2
62.99496	2.3
67.05501	8.3
69.03432	38.5
69.07065	4.9
70.06576	2.3
71.04990	6.9
71.53318	2.8
73.02913	6.6
79.05499	4.2
81.03419	28.6
81.07075	11.3
85.02911	81.8
87.04456	2.6
91.05486	5.8
93.07048	6.7
94.82772	2.4
95.04985	2.4
95.08609	10.4
97.02900	29.9
97.10132	2.9
98.97555	5.6
98.98488	3.8
99.04470	39.1
103.03951	60.2
105.03389	12.5
105.07040	5.7
109.02879	31.1
109.10168	6.3
111.04463	2.7
117.07018	3.0
119.08590	3.6
121.06491	4.8
121.10182	3.9
123.11735	5.9
127.03925	100.0
134.06001	2.8
135.04395	4.1
135.11720	3.9
144.08194	2.9
145.04974	28.0
145.10153	3.4
147.04385	2.3
160.07542	2.5
165.08937	2.5
181.04924	5.0
187.06030	25.5
187.11223	2.7
205.07088	13.8
205.13455	5.9
226.12088	2.3
234.06868	4.0
247.07890	2.6
249.05496	3.7
249.09134	10.9
264.07831	4.2
276.07794	7.3
277.05847	2.7
277.08588	14.6
279.10208	4.5
279.38388	2.3
292.07227	10.7
307.09711	37.5
307.13184	4.7
307.26236	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	307.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88762	0.2
55.53170	0.2
71.50830	0.2
82.99857	0.5
98.97565	0.3
101.00893	3.1
106.41411	0.2
119.01924	3.8
134.99899	0.2
137.02969	0.4
140.98836	0.6
158.99884	2.0
163.25082	0.2
165.99664	0.4
175.03024	0.3
177.00955	8.4
182.99908	0.6
200.94881	0.2
201.00954	3.6
217.04080	2.5
219.02013	15.5
221.02391	0.2
225.00854	2.6
243.02017	12.0
261.03076	100.0
262.03217	1.4
263.03296	0.4
266.03668	0.9
284.04654	4.5
316.13092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
68.79758	2.8
69.52808	21.0
70.06603	5.4
79.58213	3.3
84.08150	4.4
96.49672	3.1
101.00905	4.5
110.97621	4.0
113.00912	3.0
119.01899	3.5
124.03534	2.6
155.01859	3.7
173.03122	2.9
247.03075	6.4
306.90826	3.0
307.07962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01636	0.5
51.12224	0.5
53.03950	1.6
55.01883	1.4
55.05515	0.8
57.26100	0.5
65.03930	0.6
67.05505	1.0
69.03418	0.8
69.07068	1.5
69.48420	0.9
69.48826	2.6
71.05004	0.7
72.08164	1.3
79.05506	5.2
81.07062	1.6
82.96501	0.5
83.04977	0.6
83.08627	0.6
88.13208	0.5
89.03962	0.9
91.05501	1.7
93.07068	1.4
95.04980	1.7
95.08624	1.4
97.06535	0.8
103.05508	0.7
104.32848	0.4
105.03408	2.0
105.04546	1.0
105.07030	0.9
107.04950	0.6
107.08620	1.6
108.08931	0.7
109.06552	1.6
109.10201	1.5
119.08614	0.7
121.02940	0.6
121.06510	0.6
127.60765	0.5
128.06230	0.5
129.07056	0.8
131.58665	0.5
132.59692	0.6
135.04436	100.0
135.11658	0.8
136.04842	0.8
137.05997	2.2
138.06296	0.9
147.04451	1.2
152.06235	0.5
153.12724	2.4
154.13078	2.7
155.04927	1.6
159.04448	0.7
165.07005	2.2
165.12755	1.3
176.06293	1.1
178.07794	3.1
178.54651	0.4
179.08548	1.1
185.06007	29.5
189.07004	6.8
190.07808	8.7
191.08583	27.5
193.06566	0.7
193.10132	1.3
201.07030	0.9
202.07738	3.0
203.08592	7.0
205.06534	2.8
206.07309	2.0
207.08292	0.6
209.05981	2.5
215.08578	0.5
217.06569	3.2
218.07230	3.3
219.08080	48.7
220.08414	0.6
221.09715	1.4
222.06863	0.8
223.07608	2.2
225.05576	0.6
231.08069	6.5
234.06760	3.5
235.07590	2.0
238.06317	2.2
245.06099	0.9
246.06857	0.7
247.07581	27.8
248.08078	0.9
249.09142	56.2
251.07056	2.7
251.10695	0.7
259.07541	3.7
260.08356	0.9
261.05615	0.6
261.09100	3.4
262.06296	15.2
263.07108	1.6
264.07745	0.7
266.05820	3.9
271.07660	0.7
275.07065	5.5
276.07922	2.3
277.08630	73.8
278.09006	0.9
279.06595	12.5
279.09830	0.8
289.05658	1.0
289.08652	10.7
289.23795	0.9
290.18448	1.3
292.07373	8.6
307.09686	88.4
307.22845	3.4
308.10104	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01873	0.6
55.05518	6.1
56.05016	0.2
57.07083	0.7
58.06600	0.1
60.04516	0.1
64.12852	0.1
65.03940	0.4
67.05511	8.5
69.03431	0.2
69.07076	7.0
70.06599	0.2
70.71642	0.3
71.04995	0.1
71.08645	0.2
72.04527	0.5
74.06070	0.2
77.92374	0.1
79.05062	0.2
79.05502	2.4
80.05019	0.2
81.07066	7.3
82.06587	0.2
83.04955	0.1
83.08626	2.2
84.04481	0.1
84.08159	0.3
85.05290	2.2
86.06087	0.8
88.98682	0.1
90.15671	0.1
91.05492	0.9
93.07050	1.6
94.06581	0.2
95.04990	0.2
95.08618	5.2
96.08135	0.3
97.10181	0.8
98.06066	13.8
98.09718	0.2
99.06848	0.3
105.07047	0.7
107.08600	0.7
109.10164	1.7
110.09674	0.5
111.06828	0.2
112.07615	1.8
114.09195	0.1
119.08581	0.6
121.10185	0.6
122.09688	0.2
123.11731	0.3
124.07620	0.4
124.11239	0.3
125.08398	0.1
126.09158	0.6
128.10710	0.1
131.08609	0.1
133.10167	0.3
135.11690	0.4
137.05986	2.8
137.09604	0.1
137.13309	0.2
138.09161	0.4
139.09938	0.3
140.10716	0.9
144.23238	0.1
145.10129	0.1
147.11691	0.3
149.13300	0.1
152.10732	0.3
154.12253	0.8
161.13321	0.1
166.12318	0.2
168.13843	0.6
180.13840	0.2
182.15450	0.5
194.15428	0.3
196.16959	0.7
208.16953	0.9
210.18536	0.3
222.18629	0.7
224.20169	0.2
236.19989	0.5
238.21674	0.2
240.39177	0.1
246.18561	0.3
250.21736	0.3
264.23453	0.1
278.28601	0.1
306.27927	100.0
307.28201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96299	3.0
56.96566	46.2
57.03435	2.8
58.99876	1.8
61.02919	3.6
69.03427	3.0
70.06595	3.0
70.99842	1.8
71.51719	2.0
72.08159	1.7
74.97591	2.2
82.99802	6.7
84.04501	2.1
84.08154	2.7
84.96017	4.8
85.01413	3.0
85.02907	5.1
89.27513	1.5
96.60559	1.2
97.01361	2.2
97.02898	3.1
97.78397	1.2
98.97591	8.2
100.33980	1.3
100.99155	19.1
101.00893	60.4
102.05504	2.1
103.02439	6.1
110.97581	13.9
113.00890	12.0
115.02448	18.9
116.07133	2.8
116.98624	3.3
117.03999	1.8
119.00159	4.4
119.01932	100.0
121.01682	1.8
126.97031	5.2
126.98804	1.9
127.02449	7.6
127.03929	5.6
128.98621	16.8
129.03989	7.6
131.01918	23.1
133.03482	22.6
135.05051	1.6
137.02985	11.7
139.02419	2.8
143.01907	18.2
144.98108	10.7
144.99823	3.8
145.03479	24.5
146.99648	13.9
147.01410	3.5
147.05020	6.3
149.02959	2.1
151.04492	3.3
155.01930	8.6
157.03473	26.9
158.99597	1.6
159.01360	4.0
159.05042	5.3
161.02966	25.6
162.99141	6.3
163.03862	2.0
165.00746	9.1
168.99838	13.5
169.03477	4.4
170.99689	2.0
171.01495	1.5
172.97614	10.3
173.02985	20.9
175.03053	1.8
175.04518	12.4
177.00961	2.6
177.02463	8.6
183.01663	2.2
185.02943	10.7
187.00887	32.7
187.04533	5.4
188.97066	1.9
189.00926	2.1
189.02522	5.1
190.98651	32.4
191.02341	2.6
191.03960	12.9
193.00197	1.7
193.05588	4.4
196.99333	11.4
199.00862	1.7
201.02403	5.7
203.04028	15.3
205.00208	2.6
205.01959	14.9
205.03841	1.8
208.99707	44.6
215.00397	39.9
217.01988	4.5
217.05571	2.8
219.03535	13.4
221.05112	3.7
227.00764	3.3
229.01939	29.1
233.01472	4.7
235.06758	3.3
244.99744	3.4
245.05116	12.9
247.03006	90.8
263.00723	3.9
263.05997	2.4
265.04120	11.0
270.04718	2.1
270.97690	1.9
271.03000	1.6
277.07861	2.3
288.98752	23.0
289.04010	25.3
306.99881	9.4
307.05048	21.6
307.08218	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	306.2428
Annotation	Samandarine
Peak:m/z	Relative Intensity
53.03939	6.4
55.01866	10.0
55.05507	11.1
57.03432	6.3
57.07074	5.9
58.06602	3.3
64.22753	2.3
65.03923	6.1
66.04708	3.2
66.44572	2.0
67.05508	100.0
69.03429	2.7
69.07070	44.8
70.03204	5.1
70.06578	2.2
79.05066	3.5
79.05497	45.0
81.03430	17.2
81.07057	47.9
83.04953	2.9
83.08595	2.5
84.08130	1.8
85.06543	5.7
86.09710	91.0
91.05486	78.9
91.82281	2.2
93.07050	29.1
94.04183	2.8
95.04969	51.3
95.08609	27.4
103.05495	2.7
104.10751	34.0
104.63448	2.2
105.07041	42.7
107.04967	25.6
107.08608	21.8
109.06519	6.7
109.10167	13.2
115.05495	4.3
116.06276	2.7
117.07039	16.6
119.08586	65.7
121.06498	23.4
121.10128	9.2
122.03682	3.0
123.08099	12.2
128.06258	10.5
129.06985	16.8
131.08572	77.3
133.06519	12.9
133.10139	29.5
135.08055	27.4
137.05984	57.9
139.09894	5.5
142.07823	4.5
143.08543	19.5
145.10143	7.7
147.08057	12.5
147.11652	14.0
149.09625	5.4
157.10126	16.7
159.11685	8.9
161.09663	5.9
161.13245	4.0
175.14856	14.4
179.13106	6.9
185.13283	19.4
203.14333	24.4
212.12984	2.2
232.08835	2.2
246.18573	7.6
263.10736	5.0
268.25504	2.2
275.10681	2.2
288.23221	96.1
289.21503	4.1
291.10318	5.2
306.12515	17.1
306.21463	4.1
306.24323	80.7
306.27747	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	306.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.05516	2.7
57.07078	0.6
59.04996	1.5
67.05518	2.6
68.45854	0.5
69.07076	10.1
71.04608	0.7
71.05000	13.1
73.06559	4.2
79.05507	4.0
81.07064	18.5
83.04977	1.9
83.08623	0.5
85.06543	1.3
91.05483	2.7
93.06487	1.0
93.07054	17.3
94.04249	0.5
94.43236	0.5
95.08623	3.5
97.06524	5.9
105.07043	0.7
107.08605	14.9
109.10167	6.6
111.08105	1.2
119.08588	0.7
122.03642	1.3
126.62965	0.5
133.10176	0.7
135.11700	23.1
137.05989	19.1
149.80405	0.5
153.12759	100.0
164.33363	0.5
263.07147	1.0
263.10596	2.6
289.18024	7.9
291.06619	0.6
291.10123	1.7
306.08728	3.2
306.12402	7.6
306.27423	1.1
306.30750	0.5
307.09842	0.7
307.13351	0.8
315.40030	0.5
321.13080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.5
55.01866	8.9
55.05515	15.2
57.07070	5.8
59.06107	3.2
65.03917	3.4
66.04717	2.3
67.05510	84.3
69.07076	31.5
69.71170	4.9
69.71579	7.9
72.08170	16.4
79.05499	50.9
81.03416	17.2
81.07064	44.7
83.04996	6.3
83.08624	2.9
85.06554	3.9
86.09715	56.9
91.05488	64.1
93.07051	46.6
93.58220	2.3
94.04176	3.7
95.04977	28.9
95.08612	35.0
97.06520	2.6
101.90272	2.3
104.10754	22.3
105.04493	2.6
105.07047	39.4
107.04969	20.6
107.08609	23.0
108.08929	2.4
109.06516	5.4
109.10174	13.6
109.10829	2.3
115.05452	3.1
117.07011	13.3
119.08585	48.1
121.06534	15.3
121.10139	12.5
122.03653	3.8
123.08067	5.1
128.06221	8.1
129.04494	2.0
129.07002	12.9
131.08585	51.5
133.06511	9.4
133.10135	27.0
135.08038	12.8
135.11668	3.5
137.05998	80.8
139.09923	9.0
142.07802	3.4
143.08559	13.3
145.10127	7.7
147.08067	16.5
147.11697	13.3
149.09663	2.8
149.13280	4.8
155.08507	2.9
156.09393	2.5
157.10175	10.5
157.66566	2.3
159.11726	6.8
161.09674	7.3
161.13297	4.8
175.11220	2.5
175.14818	12.2
182.15482	3.7
185.13283	14.1
189.16542	2.6
203.14343	12.5
246.18542	14.2
288.23233	100.0
306.12836	2.4
306.20752	4.7
306.24249	64.8
306.27252	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	306.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.6
69.03432	0.9
69.51853	2.5
69.52272	2.0
71.58217	0.6
79.04456	0.7
84.08150	3.6
84.08569	0.6
85.02912	1.5
85.14956	0.6
85.79379	0.6
88.69174	0.7
98.06026	1.1
98.97590	0.8
101.88656	0.7
101.98981	0.8
105.07048	1.0
112.07581	0.9
115.05474	1.5
117.05730	0.7
130.08687	6.9
132.08119	3.1
144.06561	2.1
149.62357	0.8
160.07599	100.0
177.10258	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	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.1
57.07075	0.2
58.02950	0.3
59.23023	0.1
65.03947	0.1
66.04717	0.1
67.05499	0.4
69.07080	1.2
70.92556	0.2
70.92885	0.1
77.03953	0.1
79.05502	0.7
81.07054	0.8
83.08623	0.1
86.15376	0.1
86.47886	0.1
91.05508	0.5
93.07047	0.4
94.04193	1.7
95.04981	0.1
95.08613	0.2
97.06528	0.3
100.07605	0.2
105.07017	0.2
107.04955	0.2
107.08622	0.5
109.06500	0.2
109.10175	0.7
114.09195	0.6
122.03655	5.8
126.09167	0.3
133.10139	1.0
135.04408	0.1
135.11700	1.2
137.05986	100.0
138.06316	0.5
138.12811	0.2
147.11661	0.1
151.11180	0.4
153.12772	1.0
165.12706	0.2
170.15419	1.5
182.15427	2.8
204.09140	0.1
246.10054	0.1
275.82324	0.1
291.09683	0.1
306.12051	0.4
306.20700	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2065
Annotation	Acetyldebenzoylalopecurine
Peak:m/z	Relative Intensity
53.03944	1.2
53.38850	0.7
55.05512	2.1
56.06216	0.6
57.27200	0.6
65.03941	1.0
67.05512	6.4
68.02655	18.8
68.05015	1.2
69.03429	2.0
69.05796	2.9
69.07056	1.4
70.68540	0.9
70.68875	1.8
71.07373	1.3
72.08167	6.4
73.39085	0.8
79.05500	42.8
81.07061	5.3
84.04506	2.0
90.09193	4.0
91.05486	17.1
93.07048	4.7
95.04986	3.7
96.04501	1.5
97.05285	12.3
98.06026	0.9
98.40824	0.7
105.07041	16.7
107.04965	2.2
107.08604	21.5
109.06504	1.6
114.09166	2.3
115.07552	1.2
117.07020	1.0
119.06073	0.9
119.08602	6.0
124.07598	1.6
126.09179	1.0
129.07007	2.0
131.08582	3.0
132.10222	1.7
133.06551	1.9
133.10149	5.0
139.09935	100.0
140.10689	0.9
147.08034	0.9
147.11696	15.5
152.10728	1.4
157.10112	1.7
175.11201	3.5
179.62653	0.8
191.13062	1.5
204.13887	1.0
227.31227	0.7
231.44949	0.8
246.18558	94.9
247.18958	1.2
264.19589	8.2
305.05496	0.7
306.20578	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	306.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87288	0.7
56.21373	0.6
57.07082	100.0
59.99118	9.9
69.54998	0.7
79.05475	1.3
81.07063	0.9
85.07684	1.6
86.06080	17.3
99.88947	0.6
102.03790	2.8
102.99663	1.0
106.06567	64.1
109.08173	0.6
116.05329	44.6
125.09567	0.7
135.11809	0.8
137.05984	13.4
141.13925	0.9
145.04330	10.1
154.80630	0.6
155.69646	0.6
174.73940	0.6
201.10590	84.4
208.05447	4.1
229.20616	0.9
250.10159	4.3
306.16391	10.7
306.20245	1.0
306.21194	0.8
306.24835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1603
Annotation	Vasicolinone
Peak:m/z	Relative Intensity
51.02387	0.2
52.98618	0.2
53.03951	0.5
55.05513	0.2
58.06609	0.4
60.04527	0.3
65.03932	0.2
67.05510	0.3
70.06590	0.9
71.52118	0.2
71.52536	0.2
72.08142	0.3
77.03950	0.2
79.05065	0.3
79.05501	3.2
81.07045	0.4
88.07632	0.3
91.05490	6.3
93.07055	0.6
95.04987	0.7
103.07666	0.2
104.05008	0.3
105.03426	0.4
105.07050	0.6
106.04192	0.2
106.06567	9.0
107.04962	0.4
107.08618	0.3
109.06516	0.8
115.05517	0.2
116.04989	6.1
117.05774	0.7
117.07012	0.2
118.06564	2.7
119.06087	0.7
119.08596	0.2
120.08120	3.7
122.12907	0.2
130.06543	11.1
131.07318	0.3
131.08507	0.2
132.04478	0.6
132.08115	2.8
133.10176	0.2
134.06029	100.0
135.06369	0.5
137.05972	0.9
142.06520	0.2
143.07341	0.2
144.04463	5.2
144.08104	1.1
145.07649	0.4
146.06021	3.5
146.07115	0.3
147.11707	0.2
148.07581	0.9
154.06538	0.5
156.01178	0.2
156.06804	0.3
157.07639	0.5
158.06071	0.3
159.09230	0.2
160.07574	0.2
160.09927	0.2
161.10762	0.7
163.12352	0.4
170.08417	0.2
171.07730	0.3
171.09198	6.1
172.07564	0.3
173.10733	1.0
174.07932	0.7
175.08699	4.9
177.10234	0.7
189.10245	8.0
199.08759	1.7
206.09686	0.5
218.09743	0.2
220.11272	0.4
231.09216	0.4
232.07764	0.2
232.09961	2.8
245.10852	0.3
246.11577	0.4
246.18591	0.2
247.12328	11.8
248.10771	0.4
257.10800	0.2
259.08768	0.2
260.09445	1.1
263.11816	0.6
264.09991	0.2
275.11807	14.0
288.14969	4.2
306.16034	25.9
307.16226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1336
Annotation	Pancratinine D
Peak:m/z	Relative Intensity
55.01869	0.6
58.06583	1.4
67.05534	0.4
68.05015	2.0
69.03413	0.6
69.07030	0.6
70.06593	10.0
71.53445	0.4
72.08176	0.8
74.02449	0.4
74.06080	2.7
79.05486	1.3
80.05016	1.7
81.07056	0.5
82.06575	1.4
83.04959	0.6
84.08144	0.5
85.02895	0.7
86.09711	4.1
91.05502	1.0
93.07046	1.0
94.06583	0.5
95.04952	0.4
97.02918	0.8
98.06036	0.5
102.04694	1.0
103.05460	4.8
105.07047	6.0
106.06555	3.8
107.05001	0.7
107.07323	1.6
107.08574	0.6
108.08138	1.4
111.04437	0.6
114.05540	1.4
115.05482	2.3
116.07096	12.7
117.07018	1.6
118.04154	2.4
119.05003	0.5
119.08503	0.4
120.06561	0.8
121.10165	0.9
122.02727	0.9
123.04399	0.9
130.04190	2.9
131.04030	0.6
131.04938	7.7
132.05714	1.8
132.10194	0.8
133.06505	6.9
137.02359	1.2
137.05965	1.1
138.02692	0.9
139.03882	1.6
140.04169	1.0
143.04919	0.7
144.06558	1.0
145.06519	2.6
146.03670	0.8
147.04407	2.8
147.08044	0.6
147.27754	0.4
148.05203	2.2
149.05951	1.3
151.03893	0.5
152.07054	1.9
155.05998	0.5
158.03645	0.7
159.04408	0.5
160.05222	1.5
161.05981	13.0
161.43829	0.4
167.07053	7.9
167.10545	0.4
172.07430	0.5
172.11229	1.2
173.05971	3.0
175.03926	0.9
176.04662	5.6
177.05453	1.1
178.06216	0.7
178.08597	0.5
183.40128	0.4
190.05113	0.5
190.08603	0.5
191.07030	40.5
192.07774	2.0
193.08647	2.5
200.10674	1.8
202.08643	0.5
216.10097	0.7
218.08195	0.9
218.11784	0.6
224.11058	0.5
228.10167	1.0
230.08096	0.5
232.09737	1.5
244.09727	0.6
245.10434	1.1
246.11269	2.9
254.64677	0.4
260.14957	1.4
261.13583	0.7
262.10605	0.6
262.14322	0.8
276.08582	1.2
290.10223	6.4
291.10895	0.6
293.20602	0.4
306.13348	100.0
307.13589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29349	0.5
53.03936	0.8
56.05037	9.6
57.03430	2.1
58.06603	5.9
58.10080	0.5
69.03433	5.2
70.06596	4.2
71.04971	1.4
71.53208	0.6
72.08160	2.0
72.93816	0.7
73.02911	1.7
74.06083	100.0
81.03422	3.3
84.04511	6.4
84.08127	1.8
85.02906	4.9
86.06031	0.5
86.09649	0.6
87.04507	0.7
93.07040	0.6
97.02882	3.4
98.06064	10.6
99.04478	0.8
102.05533	6.6
109.02892	1.7
116.07096	42.6
120.06580	16.5
120.08073	0.8
126.09148	1.3
127.03934	1.9
129.10329	0.8
130.48146	0.6
132.95857	1.3
137.05974	3.8
138.02631	0.8
139.03931	1.6
140.04253	1.2
144.06561	33.6
144.10194	4.1
145.04997	1.2
147.04367	1.2
150.96854	0.8
160.07593	2.6
162.07626	10.7
174.96906	1.0
178.08676	1.0
186.04378	0.6
192.08638	0.8
216.08740	1.2
218.10413	0.7
234.09750	1.4
235.09769	0.9
246.09798	2.3
260.07294	0.6
264.10721	6.6
270.09695	3.1
288.10715	8.8
306.13245	5.4
306.16699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1338
Annotation	Pancratinine D
Peak:m/z	Relative Intensity
53.03951	0.2
55.01868	0.5
55.05510	0.3
56.05039	0.3
62.18032	0.1
62.37007	0.1
65.03924	0.1
66.34206	0.1
67.05498	0.2
68.05036	1.4
70.06597	9.2
71.04990	0.1
71.66151	0.1
72.08158	0.3
73.06557	0.4
74.02457	0.1
78.04691	0.1
79.05498	1.3
80.05023	1.6
81.03380	0.1
81.07040	0.4
82.06573	1.0
89.03934	0.1
91.05485	1.0
93.05783	0.1
93.07049	0.3
94.06571	0.4
95.04969	0.3
95.16014	0.1
96.08127	0.5
97.02869	0.3
99.63708	0.1
102.04710	0.9
103.05479	4.4
104.06254	0.5
105.03416	0.2
105.07037	7.3
106.05853	0.2
106.06565	3.4
106.82443	0.1
107.04961	0.5
107.07360	0.9
107.08577	0.4
108.08128	2.0
109.06528	0.1
114.05533	1.5
115.05466	1.9
116.07100	12.0
117.03400	0.2
117.07021	1.8
118.04168	2.8
119.04950	0.3
119.08556	0.3
120.05727	0.2
122.03648	0.3
123.04436	0.5
124.07569	0.2
126.05534	0.1
128.06218	0.2
129.06996	0.1
130.04158	2.9
130.06552	0.2
131.04941	8.0
131.08530	0.3
132.05719	1.7
132.20738	0.1
133.02867	0.2
133.06505	6.6
134.05984	0.1
135.08095	0.1
137.05983	4.8
139.03902	0.3
140.07066	0.4
143.04924	0.5
143.06036	0.5
144.08090	0.6
145.06496	2.7
145.08904	0.2
145.10129	0.2
146.03632	0.9
146.07283	0.1
147.04424	1.5
147.08084	0.4
147.11697	0.2
148.05205	2.6
149.05988	1.2
151.03969	0.6
151.06300	0.3
152.04689	0.1
152.07091	1.6
153.05501	0.2
153.06917	0.2
155.06024	0.3
157.06453	0.2
158.03645	0.5
158.09663	0.1
158.29082	0.1
159.04440	0.4
160.05200	1.1
161.05994	12.8
162.06610	0.2
163.03931	0.2
163.07564	0.4
167.07057	7.0
172.07623	0.3
172.11205	1.3
173.05992	3.5
173.09706	0.3
175.03893	0.7
175.07594	0.6
176.04700	6.1
177.05464	1.3
178.06288	0.9
182.15416	0.2
185.08362	0.2
186.09200	0.2
187.07558	0.2
188.07047	0.3
189.05533	0.2
189.07784	0.2
190.04897	0.7
190.06468	0.2
191.07042	40.5
192.07816	1.8
193.08623	2.9
200.07150	0.2
200.10707	2.0
201.09097	0.3
201.11420	0.2
202.08597	0.8
204.10176	0.2
205.08646	0.5
209.08092	0.3
214.08635	0.3
215.09343	0.2
216.06630	0.2
216.10191	1.0
217.08740	0.3
218.07991	1.0
218.11800	0.4
219.06828	0.1
219.08904	0.4
220.09604	0.2
228.10240	1.2
229.10884	0.3
230.08205	0.3
230.11827	0.4
232.09698	1.5
233.08075	0.2
234.11278	0.2
244.09720	0.7
245.08217	0.2
245.10526	0.9
246.11288	3.7
246.18575	0.4
247.11981	0.5
248.09174	0.8
251.09209	0.5
258.07779	0.2
260.09399	0.2
260.12839	1.4
261.13635	0.5
262.10849	0.9
262.14297	0.7
264.19427	0.2
272.09161	0.2
274.10727	0.3
276.08640	1.1
277.09564	0.4
288.12360	0.6
290.10223	5.6
291.10995	0.9
306.13364	100.0
306.20407	7.5
307.13602	0.7
316.92703	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	306.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.8
55.01870	0.7
56.05044	8.2
57.03440	1.9
58.06609	1.4
62.85166	0.7
69.03441	4.5
69.07076	0.8
69.47826	1.6
69.48235	3.1
70.06596	6.4
72.08133	0.7
74.06089	100.0
79.05508	0.7
80.05035	0.8
81.03423	1.8
84.04505	5.2
84.08160	0.9
85.02921	2.7
86.09725	3.6
95.16239	0.6
97.02895	4.0
98.06070	9.7
99.04461	1.6
102.05536	4.6
103.05490	0.9
105.07074	2.5
106.06599	1.4
107.04953	0.9
107.07453	0.7
107.08615	2.3
108.08118	0.8
109.02935	0.8
109.10177	0.9
114.05549	1.4
116.07108	46.6
118.04156	0.9
120.06587	14.8
121.10183	0.9
122.02768	1.9
123.04471	1.5
124.55697	0.6
127.03997	1.1
130.04167	0.9
130.06555	0.8
131.04961	3.1
133.06505	3.2
137.02374	1.3
137.06021	4.3
138.02663	1.0
138.06380	1.8
139.03935	4.9
140.04237	3.7
144.06581	35.8
145.05045	1.0
145.06502	1.0
147.04478	1.8
148.05090	0.8
149.09633	1.6
152.07056	1.1
161.06036	6.6
162.07629	11.3
167.07062	4.1
167.10782	1.9
172.11337	0.8
173.05986	0.9
174.07643	1.1
176.04761	2.7
178.08626	3.5
191.07050	17.0
200.10794	1.0
216.08604	1.4
234.09848	2.1
246.09825	2.9
264.10770	6.8
270.02914	0.7
270.09808	2.4
281.52206	0.8
288.10748	11.5
290.10373	2.5
306.13486	35.8
306.16837	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	306.1125
Annotation	N-Acetyldehydroanonaine
Peak:m/z	Relative Intensity
55.05507	0.6
56.05024	0.2
57.07063	0.4
58.06604	0.3
60.18651	0.3
60.18963	0.2
60.32947	0.2
60.72021	0.2
67.05489	0.3
69.07060	0.5
69.74653	0.4
69.75048	1.5
72.08134	1.0
79.05502	0.7
81.07042	0.7
83.04987	0.8
91.05494	1.3
93.07046	0.6
95.08603	0.4
105.07065	0.7
107.04950	0.4
107.08567	0.5
109.10169	0.4
111.87166	0.3
117.07044	0.6
122.03642	1.0
131.08556	0.6
134.06042	0.5
137.05986	19.9
145.10107	0.4
147.11641	0.3
153.12798	0.4
178.07677	0.2
179.08556	2.1
182.15485	0.8
204.08093	0.5
205.08897	1.0
206.09666	31.8
207.10010	0.3
217.08765	0.4
218.09705	0.4
219.10565	0.3
224.16403	0.3
233.08168	0.3
234.09155	18.7
235.07602	0.4
235.09840	0.6
236.10704	0.6
248.07082	0.4
262.08658	0.3
263.09451	4.9
264.10208	100.0
265.10611	0.9
288.19586	2.4
305.31464	0.3
306.11252	44.5
306.20499	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2478
Annotation	Fusicogigantepoxide
Peak:m/z	Relative Intensity
55.05518	3.4
57.03413	0.7
57.07088	2.6
57.08893	0.6
60.45260	0.5
62.81241	0.5
67.05178	0.6
67.05513	6.7
69.07076	3.4
69.78923	1.1
69.79333	2.0
71.04995	1.3
71.08630	1.7
78.93075	0.4
79.05500	2.5
81.07066	8.7
82.00610	0.5
83.04991	0.5
83.08616	1.7
85.06550	1.6
90.12567	0.5
91.05495	1.6
93.07059	3.4
95.04967	0.7
95.08619	7.0
97.06517	1.0
98.09682	0.9
98.20811	0.5
105.07024	2.3
107.08598	2.8
109.06527	12.9
109.10146	2.3
111.08119	0.9
119.08583	2.3
121.10142	1.7
122.07331	1.0
123.08080	44.8
123.11723	2.0
125.09595	0.9
131.08597	0.5
133.10136	1.5
135.08072	3.5
135.11688	1.1
136.08736	0.5
137.09673	2.6
137.13232	0.6
147.11696	1.0
149.09637	0.9
149.47987	0.5
165.05495	1.2
165.12784	0.8
175.65044	0.5
179.14325	50.5
180.99925	0.5
192.17781	0.5
193.15912	1.2
222.95232	0.6
249.18526	8.1
256.55301	0.4
287.23724	0.6
298.78894	0.6
305.24768	100.0
306.24899	0.9
324.30078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2115
Annotation	Caribenol B
Peak:m/z	Relative Intensity
55.05511	0.9
57.07067	0.6
59.56015	0.3
61.39547	0.4
61.40069	0.3
67.05495	1.2
69.07076	3.9
72.04494	0.6
79.05507	0.5
81.07073	3.2
83.08624	0.4
83.15114	0.4
91.05499	0.7
93.07055	2.2
95.08603	2.5
97.06511	0.8
105.07034	1.2
107.08604	1.7
109.06531	2.4
111.08068	0.8
113.02374	0.9
119.08587	0.8
121.06495	1.9
121.10140	0.6
123.08064	0.5
127.07569	6.6
133.10127	0.6
135.08075	12.5
137.13263	1.0
139.07515	0.6
143.07053	0.5
153.09129	0.6
153.28748	0.3
155.08508	0.4
162.47577	0.4
163.07567	0.5
169.08620	5.5
181.08611	82.2
193.12215	0.4
195.10178	7.2
205.12346	0.4
207.10289	0.6
209.11696	0.4
221.11702	1.1
222.24852	0.4
223.13277	2.3
237.14841	0.9
249.14856	2.6
263.16556	0.6
305.21136	100.0
306.21344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.5
55.05508	2.8
57.03834	0.8
57.07073	4.1
57.31768	0.8
58.06596	0.8
59.62697	0.9
63.34251	0.8
67.05508	16.8
69.07065	1.7
70.69900	1.1
71.08621	2.1
71.52809	1.2
79.05501	6.7
81.07059	100.0
89.05999	1.6
91.05486	1.8
93.07060	5.2
95.04977	3.2
95.08605	14.4
105.03396	95.6
105.07020	2.1
107.07085	0.9
107.08628	1.0
109.10152	1.7
123.04423	2.9
123.11711	93.3
131.08675	1.1
133.10172	1.5
151.11186	2.3
154.78275	0.8
179.10735	1.3
245.15419	10.6
303.92517	1.0
305.15845	1.0
305.25372	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2114
Annotation	monacolin L lactone
Peak:m/z	Relative Intensity
53.03946	8.4
55.01868	6.9
55.05510	25.8
56.96557	4.3
57.03436	9.5
57.07062	8.6
65.03947	4.2
67.05516	45.4
69.03429	9.5
69.07083	28.8
70.06581	6.8
71.05005	9.5
71.52628	3.8
79.05506	35.8
80.05735	3.6
81.07056	40.4
83.04988	29.2
83.08627	12.1
85.06563	7.2
88.07646	5.8
91.05493	46.8
93.07052	89.3
94.16756	3.5
95.05009	19.3
95.08616	76.5
97.02903	6.2
97.06561	16.8
98.09714	4.4
98.97571	4.4
101.06018	5.2
103.05457	4.9
103.08782	3.7
105.07044	52.0
107.04950	5.8
107.08613	55.0
109.06534	20.0
109.10171	32.3
111.08105	5.3
111.37470	3.7
113.06035	3.6
117.07015	19.8
119.08600	68.5
119.14092	3.7
121.06517	11.7
121.10163	82.7
123.08091	15.6
123.11724	14.9
125.06001	8.0
125.09682	8.8
128.06209	6.1
129.07018	8.8
131.00201	4.3
131.08591	66.2
133.09221	6.3
133.10132	44.7
135.08055	11.5
135.11720	16.6
137.05972	4.4
137.09628	9.9
139.07516	5.6
141.06926	3.7
142.07787	13.5
143.07062	4.3
143.07568	4.0
143.08569	33.4
144.09302	8.3
145.06470	6.3
145.10144	56.6
147.03044	6.1
147.04390	4.3
147.08057	16.5
147.11693	26.1
149.01204	6.0
149.09637	45.5
149.13266	5.5
150.05504	6.7
151.05852	7.5
151.11342	4.2
153.12782	5.9
155.08554	11.8
156.03673	5.6
156.09338	10.0
157.10149	56.3
158.10933	5.2
159.08116	7.2
159.11713	71.7
159.51640	3.5
161.09621	9.8
161.13255	6.6
163.11177	6.6
165.09125	25.4
167.08612	5.5
167.10710	13.2
169.10112	18.5
170.10947	11.1
171.07983	5.0
171.11708	36.7
173.09608	6.4
173.13286	79.0
174.14032	7.3
175.11195	7.5
175.14830	15.9
177.12778	11.7
179.08672	4.3
183.11707	15.5
184.12590	4.4
185.09682	3.6
185.13297	32.2
186.10439	4.7
187.11162	16.9
187.14810	18.8
189.12755	11.7
191.14317	11.5
195.11728	13.0
196.62752	6.8
197.13191	5.2
199.11166	11.0
199.14873	26.8
201.12732	4.8
203.14326	7.8
205.12283	5.3
209.13239	8.2
211.14810	12.8
213.12773	14.0
213.16383	26.2
215.17999	11.6
217.12210	4.9
219.13765	4.6
224.08119	23.3
224.58200	5.4
225.16397	9.6
227.18135	6.1
229.15802	6.3
231.13820	11.3
241.19571	15.9
243.17494	12.1
243.25150	7.7
251.17853	5.9
259.20557	7.5
269.18954	25.9
273.18573	6.4
287.20114	50.0
305.05655	6.9
305.10834	18.7
305.17407	10.2
305.21109	100.0
305.24734	8.4
305.28894	16.2
307.13220	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39489	1.0
62.40410	0.9
67.05488	1.0
68.09791	0.9
69.07085	7.8
69.80162	2.5
69.80572	2.0
75.83243	0.8
81.07069	0.9
85.06550	4.1
89.99863	0.8
91.05485	3.1
93.07067	1.0
107.08587	1.1
109.10145	1.0
115.05465	1.9
117.07026	1.4
128.06242	3.4
129.07018	14.1
131.04895	2.0
131.08578	14.8
137.05989	1.4
137.09554	0.9
141.06995	10.5
143.08588	2.5
144.05690	2.3
145.06503	2.0
148.04955	1.0
151.07472	1.0
155.08612	1.3
157.06509	10.7
158.07294	8.6
159.08080	10.9
160.05292	1.7
161.09660	2.1
163.07570	1.5
167.08669	1.2
169.06503	5.1
169.10086	1.4
170.07268	2.9
171.08104	1.2
171.73671	0.9
173.05960	1.5
173.09653	3.4
174.06779	23.2
175.07564	5.8
181.06490	2.3
183.08028	1.9
185.09636	1.5
186.06737	7.1
187.07565	3.2
188.08232	1.7
189.09126	40.9
191.10678	2.6
195.08070	2.8
197.13272	1.1
199.07516	1.0
201.09134	30.8
203.10721	2.3
209.09685	3.0
213.09111	5.3
215.10733	2.5
219.10185	70.1
222.10564	1.1
225.09241	1.2
225.12755	1.6
227.10689	2.6
231.10182	3.1
237.12650	4.2
239.10741	1.3
241.12358	1.8
242.13116	1.3
257.15387	9.1
259.17105	1.4
269.15439	2.7
287.16440	100.0
288.16907	1.0
305.08466	1.7
305.11716	2.2
305.21161	1.5
305.24582	1.6
312.44397	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18296	0.3
53.03955	1.5
53.21732	0.4
55.71043	0.3
67.05527	0.5
69.69275	2.1
77.03915	0.6
79.05508	0.4
81.07052	0.9
91.05502	2.7
93.05727	0.4
93.07043	2.1
94.06560	0.6
95.04975	1.3
96.08126	1.2
107.08594	0.5
108.04407	0.4
108.08126	1.6
122.06051	3.1
124.07600	8.2
126.05527	1.0
136.07587	100.0
137.02295	0.4
137.07993	0.4
138.09134	0.6
140.07068	0.6
140.80862	0.4
141.49596	0.4
150.05568	0.7
152.07071	19.0
158.04173	0.5
163.03856	0.5
164.07080	78.6
165.07430	0.5
170.08153	5.0
182.08144	17.6
189.71230	0.4
242.76392	0.4
265.02246	0.4
287.09143	0.5
287.13925	6.6
305.05551	7.6
305.10828	0.5
305.14984	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1598
Annotation	Creoside I
Peak:m/z	Relative Intensity
53.03964	1.7
55.05511	7.2
57.03439	4.3
57.07071	3.3
61.02922	2.8
67.05505	2.9
69.03439	16.5
69.07066	2.4
69.86103	5.4
69.86501	2.9
70.06586	4.4
70.32667	1.3
71.05005	33.5
72.08147	2.5
73.02924	2.2
73.06552	4.9
79.05487	4.9
81.03411	5.2
81.07047	5.1
83.05005	7.8
83.08619	7.2
84.08131	5.4
85.02439	2.0
85.02921	25.8
85.06562	14.2
86.09725	1.5
91.05462	3.6
95.04974	11.7
97.02903	7.4
97.10172	13.5
98.20765	2.0
99.04465	3.0
102.45507	1.5
103.04003	1.5
105.07008	2.3
107.04963	2.8
107.07881	3.0
107.08610	56.4
108.05303	2.8
109.02881	4.0
120.08128	1.8
121.10110	1.7
122.06059	1.4
123.04423	1.4
125.09645	100.0
127.03933	7.3
129.10297	2.0
136.07579	9.0
137.06026	1.9
137.09621	4.1
138.07025	1.5
139.03912	4.6
143.10690	95.9
145.04962	4.3
147.08070	1.7
164.07077	4.6
167.10689	9.8
206.56602	1.4
209.11665	2.6
241.09631	2.4
241.13351	2.6
251.12752	2.0
259.14456	3.5
269.13019	3.5
275.34076	1.4
287.14044	5.5
305.11517	2.9
305.14966	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	305.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.0
55.01870	2.6
57.03430	3.0
57.07073	8.1
61.02908	1.5
62.12092	0.8
65.03942	1.0
65.73148	0.9
67.05509	1.6
67.51798	0.8
68.99792	3.7
69.03431	33.9
70.04890	1.2
70.05291	2.0
71.04993	6.8
73.02907	0.8
81.03419	31.9
83.01315	0.9
83.04945	1.2
84.21590	0.9
85.02909	24.2
85.55347	1.0
87.00830	10.9
93.03374	1.0
95.04983	2.3
97.02894	7.0
98.20860	1.2
99.04449	10.9
105.01865	2.6
109.02139	1.3
109.02883	25.3
111.04443	2.5
115.05456	1.1
119.04933	3.2
122.03646	1.7
123.04503	1.2
127.03924	60.2
133.06535	1.2
137.05981	56.4
139.03906	100.0
143.04921	1.6
145.04939	1.7
147.03166	1.4
147.04422	21.6
149.02269	1.1
151.03903	0.9
153.01843	1.8
160.05194	1.0
161.06004	2.2
163.03912	1.1
175.07524	3.7
179.07005	6.1
181.04961	1.4
182.61624	1.0
193.08603	2.1
213.03989	2.7
221.08112	3.8
231.04936	5.0
234.92862	1.1
259.05893	1.1
263.09232	1.0
305.06757	0.8
305.10098	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1024
Annotation	4'-O-Methylcatechin
Peak:m/z	Relative Intensity
53.03949	0.9
55.01871	1.1
55.05505	0.3
57.03453	0.3
57.07069	0.6
57.98017	0.3
59.15611	0.3
65.03942	0.8
67.05490	1.0
68.99800	1.5
69.03439	3.7
70.38047	0.2
70.48667	0.4
70.49022	1.0
71.05004	0.6
81.03436	4.0
81.07053	0.3
83.04984	0.9
85.02914	2.4
87.00828	1.2
91.05503	1.3
93.03413	1.2
94.04173	0.4
95.04975	1.9
97.02900	1.4
99.04461	1.4
105.07048	0.6
107.04963	0.8
109.02885	2.9
111.04465	3.1
115.05453	0.5
117.16532	0.3
119.04963	3.8
121.02897	0.4
122.03692	1.8
123.04432	0.6
125.06017	0.4
127.03937	6.8
131.04942	0.4
133.06506	1.2
135.04399	0.7
137.05995	55.5
137.94077	0.3
139.03918	100.0
140.04254	0.7
143.04938	1.9
145.04973	0.4
147.04430	20.6
149.02383	0.3
150.26593	0.3
151.03923	1.2
151.07596	0.4
153.05544	0.7
160.05197	0.7
161.06010	2.3
163.03917	0.9
175.07564	3.8
179.05504	0.4
179.07066	5.9
181.04990	1.3
189.05553	0.3
191.07065	0.4
193.08620	2.1
203.07062	0.9
213.05710	0.3
219.10049	0.3
221.08127	4.2
231.05060	0.6
255.77238	0.3
263.09204	0.8
287.09271	0.9
305.10196	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	305.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.3
67.05485	0.7
68.99790	1.4
69.07062	1.7
71.04993	0.9
71.37933	1.5
79.05498	1.4
81.07065	3.2
87.00847	0.9
91.05488	1.2
93.07037	2.2
94.96798	0.8
95.08636	2.7
98.97596	3.1
105.07034	3.5
107.08607	2.8
109.10164	1.4
115.05454	4.7
117.05762	0.9
118.06567	1.7
119.08606	1.0
121.10153	1.3
123.11693	0.8
129.07021	1.4
130.06538	37.6
132.08104	33.0
133.10094	0.9
135.08052	2.0
135.11681	1.2
137.09671	0.9
142.06531	10.1
143.07346	1.9
145.05209	2.0
147.04404	1.0
147.11790	0.9
156.08092	4.5
157.07616	4.8
158.05922	1.2
158.08406	5.6
159.09190	93.3
160.07593	30.9
167.06015	1.5
168.22118	1.0
169.07628	4.8
170.06030	37.3
171.09154	1.1
172.07542	1.1
181.07614	3.6
183.09193	4.1
184.07613	16.8
185.07114	46.6
187.08698	6.0
192.10233	1.5
197.10661	0.8
199.08733	2.6
200.07080	8.4
201.10263	12.3
202.08640	34.8
209.07094	1.8
219.11365	1.7
227.08170	47.2
243.11240	1.3
245.09242	100.0
255.07664	5.3
269.09357	1.6
273.08728	18.2
287.10226	2.5
287.23547	1.3
300.08469	0.9
305.05521	3.3
305.08463	1.4
305.11420	4.2
305.24536	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	305.1023
Annotation	4'-O-Methylcatechin
Peak:m/z	Relative Intensity
53.03942	0.6
54.89706	0.2
55.01873	1.3
55.05512	0.6
58.06592	0.7
65.03938	1.0
67.01825	0.3
67.05502	1.2
68.99804	1.5
69.03436	2.4
69.38021	2.0
71.01334	0.4
71.04987	0.4
71.30462	0.3
72.08170	1.2
73.08489	0.5
79.05490	0.5
81.03427	2.5
81.07036	0.4
83.04993	0.6
84.04500	0.6
84.08173	0.3
85.02927	1.7
86.09718	1.2
87.00832	0.6
91.05481	1.7
93.03419	1.2
93.06972	0.2
94.04205	0.6
95.04975	2.0
97.02903	1.3
97.06532	0.2
98.20721	0.2
98.97591	0.3
99.04465	0.9
103.05466	0.2
105.07061	0.7
107.04959	0.5
109.02892	2.0
109.06568	0.3
111.04438	2.9
112.86572	0.2
115.05486	1.0
116.98505	0.3
117.07018	0.3
119.04951	4.1
122.03656	1.7
123.04462	0.4
125.09630	0.3
127.03933	4.3
130.05019	0.4
130.06552	0.5
131.08612	0.3
133.02869	0.4
133.06540	1.3
135.04440	0.6
137.02390	4.1
137.05992	55.0
138.06357	0.3
139.03914	100.0
140.04271	0.3
143.04933	1.7
146.05981	0.3
147.04424	21.2
148.06056	0.6
149.09660	0.3
151.03935	1.6
153.05463	1.1
160.05199	0.5
160.07617	0.4
161.05995	2.8
163.03903	1.3
165.09126	0.5
171.04340	0.3
175.07558	4.0
177.05513	0.7
179.07050	5.7
179.08559	0.3
181.04950	1.4
188.07274	0.4
189.05559	0.6
189.07451	0.9
191.07079	0.7
193.08640	2.1
203.07098	0.9
206.10149	0.8
207.06580	0.3
221.08078	3.4
231.04971	0.3
235.06206	0.6
241.08557	0.3
245.07983	0.3
250.05519	0.2
263.09155	0.7
277.07236	0.3
287.06006	0.4
287.09155	0.9
305.06482	0.7
305.10144	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	305.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96296	4.0
56.96570	54.1
70.54987	4.1
70.55376	5.1
70.98132	29.7
71.95266	4.0
84.08145	2.3
84.96040	5.0
88.99164	4.1
89.90526	2.0
95.50713	2.1
98.97592	100.0
100.85266	2.0
101.00873	2.4
110.74542	1.9
110.97585	8.1
112.99143	4.4
116.98627	24.1
124.95518	11.1
124.99151	5.0
126.97045	4.2
127.00738	2.3
128.98616	7.3
131.00143	2.7
134.99675	2.5
140.98611	3.6
142.96542	7.0
143.00192	6.9
144.98175	3.6
145.01700	2.6
146.99698	4.4
149.01236	2.1
152.95013	5.4
154.96523	7.2
156.98120	5.8
158.99644	9.4
161.01282	4.8
161.02948	2.4
170.95998	17.0
172.94313	2.5
172.97627	10.8
173.01282	4.4
174.99142	5.8
177.00731	2.6
184.97615	5.6
186.99170	3.9
188.97096	18.8
189.00720	6.2
190.98575	10.0
193.00281	4.5
201.00676	4.7
202.98705	12.3
203.02307	3.4
203.04024	3.8
205.00259	3.7
206.98199	4.7
207.01846	3.6
212.97104	7.8
214.98691	6.1
217.00281	4.6
219.01814	3.9
220.99762	10.3
230.98117	22.2
232.96681	2.1
232.99695	7.0
235.01256	4.5
237.02861	3.1
244.99768	8.1
245.05148	3.3
248.99191	14.6
263.00742	22.2
267.00232	3.1
279.29541	2.2
281.01797	17.0
305.02277	2.7
305.06296	26.2
323.06470	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	305.1024
Annotation	4'-O-Methylcatechin
Peak:m/z	Relative Intensity
53.03949	1.8
55.01879	1.0
57.03442	0.8
57.07080	1.2
57.93277	0.4
64.45365	0.3
65.03931	0.7
65.55830	0.3
67.05500	0.9
68.99798	1.8
69.03439	9.3
70.41552	1.1
71.04998	1.5
72.06011	0.4
73.02901	0.5
75.30320	0.3
79.05511	0.4
81.02985	0.6
81.03434	8.1
83.05000	0.8
85.02921	6.6
86.38799	0.4
87.00838	3.4
91.05492	1.1
93.03417	1.0
94.04178	0.8
95.04980	1.7
97.02895	2.2
97.06603	0.4
98.97573	0.5
99.04469	3.3
105.01888	0.5
105.07053	0.4
109.02898	7.8
111.04459	3.2
115.05530	0.4
119.04953	2.9
119.08617	0.4
122.03639	1.9
123.04493	0.6
125.09615	0.5
127.02971	0.7
127.03937	14.2
133.06525	0.7
135.04489	0.5
137.06000	54.5
139.03923	100.0
140.04208	0.4
143.04955	2.0
147.04433	20.6
151.03903	1.2
151.07562	1.0
153.01857	0.5
153.05551	0.5
160.05266	0.6
161.06026	1.9
163.03949	0.7
175.07549	3.9
177.05530	0.5
179.07065	6.3
181.05023	1.4
183.28278	0.4
189.05406	0.5
193.08646	2.5
213.03998	0.7
221.08086	3.5
231.05054	1.1
234.15442	0.3
259.06226	0.4
263.09280	1.1
287.09015	0.9
305.10229	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	305.1022
Annotation	4'-O-Methylcatechin
Peak:m/z	Relative Intensity
53.03936	0.5
53.97567	0.3
55.01872	1.8
55.05487	0.4
58.06592	0.9
60.04506	0.3
65.03938	0.8
66.15734	0.3
67.01894	0.4
67.05497	1.1
68.99796	1.4
69.03404	0.7
69.07064	0.9
70.06577	1.1
72.08148	0.4
74.06091	1.8
74.17810	0.3
79.05491	1.0
81.03428	0.9
81.07056	0.7
83.04983	0.9
84.04504	0.5
84.08138	0.6
85.02893	1.1
86.09698	1.2
91.05478	1.2
93.03417	0.9
93.07046	0.4
94.04181	0.6
95.04981	2.1
97.02371	0.3
97.02884	1.4
98.09657	0.3
102.86381	0.3
103.05459	0.4
105.03397	0.3
105.07040	0.7
107.04937	0.8
107.08585	0.5
109.06602	0.3
110.07138	0.3
111.00836	0.5
111.04468	2.9
115.05466	0.9
116.07088	1.0
117.07009	0.3
117.25721	0.3
119.04942	3.5
120.08070	0.3
121.02885	0.6
122.02845	0.3
122.03650	1.9
123.04456	2.0
125.06027	0.4
125.09663	0.8
126.69848	0.3
127.03925	1.0
129.06992	0.3
130.06508	2.8
131.04961	0.4
133.06538	1.4
135.04437	0.7
135.14207	0.3
137.02373	9.6
137.05988	55.7
138.06343	0.6
139.03911	100.0
140.04277	0.7
143.04942	2.0
143.10666	0.5
144.06589	0.5
146.11748	0.5
147.04420	22.2
147.08023	0.5
149.02347	2.0
151.03920	1.7
151.07529	0.4
153.01833	2.3
153.05396	0.7
157.06505	0.3
158.06052	0.5
160.05200	0.7
161.06023	2.5
163.03943	1.4
165.09123	0.7
167.07112	0.4
168.06781	0.3
175.07547	3.4
177.05473	0.6
179.03503	0.5
179.07039	6.0
181.04959	1.7
181.42958	0.3
185.05948	0.8
189.05505	0.7
191.07042	0.6
193.08658	2.1
195.02928	0.4
197.13710	0.3
203.03400	0.7
203.07077	1.1
213.05446	0.6
221.04590	0.3
221.08072	3.6
231.06592	2.3
245.08086	0.4
259.06113	2.6
263.09323	0.7
287.05511	2.0
287.09189	0.9
287.14044	0.5
305.06476	1.2
305.10269	3.8
305.15561	2.1
306.13321	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	7.6
60.29988	6.7
65.53175	5.5
70.69598	17.1
73.18382	5.6
81.04523	9.9
84.08152	13.3
95.06093	9.9
98.97590	20.3
104.78173	6.3
116.98601	7.6
119.01885	6.5
130.08717	7.6
143.01903	9.7
143.08156	40.7
188.97169	7.0
203.03857	7.1
261.81946	7.1
305.06320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1907
Annotation	Acetylacrifoline
Peak:m/z	Relative Intensity
50.01601	0.4
53.03946	1.5
55.01874	0.8
55.05511	2.8
55.19656	0.4
56.96564	1.4
59.01977	0.4
60.04531	0.9
65.03941	2.3
67.05508	16.3
68.02643	2.3
68.05039	0.5
69.03436	1.2
69.07075	3.0
70.06597	34.4
70.46475	1.0
71.05001	1.8
72.08163	0.6
77.03925	0.6
79.05498	100.0
80.05022	0.5
80.05831	1.0
80.06282	0.4
81.03429	1.2
81.07062	20.2
82.02950	1.3
83.04987	1.0
83.97634	0.3
84.04518	0.4
85.05299	0.6
85.37866	0.3
88.07632	2.1
91.05487	41.2
92.06276	0.5
93.07056	10.3
94.06580	0.9
95.04977	11.5
95.08630	0.8
96.04493	0.5
97.05322	0.4
97.06518	1.8
98.06035	0.9
98.09696	0.7
102.34435	0.3
103.05463	0.9
104.06223	0.3
105.04547	1.0
105.07039	45.7
106.04202	0.4
106.07384	0.8
107.04969	6.4
107.08599	58.6
108.08134	0.7
108.08942	0.6
109.05328	0.5
109.06541	2.9
110.06020	0.4
110.09724	0.4
112.07599	0.5
113.06030	1.2
114.05566	0.4
115.05466	0.7
117.07024	2.1
117.54430	0.3
119.04980	0.9
119.06074	2.3
119.08589	14.1
120.05734	1.1
121.06544	0.6
122.06075	0.9
124.07623	0.8
129.07014	3.3
130.08653	2.4
131.08598	5.3
133.06508	3.2
133.09132	0.4
133.10141	9.0
134.06905	0.6
136.07576	0.8
137.08372	13.5
138.09149	1.0
142.07784	1.9
143.08569	0.4
145.06516	0.5
145.10117	3.3
147.04399	0.4
147.08083	3.7
147.11696	59.3
148.70276	0.4
149.13264	1.1
152.42023	0.3
154.01767	0.4
155.09460	1.0
156.03319	0.4
157.10117	3.2
158.09802	0.4
159.11772	0.4
161.05978	1.4
162.06348	1.5
164.10699	0.3
165.55585	0.3
169.77095	0.3
174.04404	0.5
175.11191	8.1
188.10788	0.3
192.13899	1.4
197.10486	6.9
202.12259	0.3
204.13907	1.9
244.16994	15.1
245.17313	0.4
246.18661	0.5
249.13573	1.2
262.11200	1.1
262.18039	8.4
265.15863	0.6
274.16461	1.3
274.66626	0.6
281.36475	0.3
283.16956	4.7
283.67123	1.5
302.14191	1.0
304.05389	0.8
304.19098	56.0
305.19522	0.7
320.15271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16565	2.9
53.03946	4.9
55.01888	4.4
55.05524	3.1
56.96571	70.4
58.06610	26.1
60.04522	5.2
60.05646	18.5
61.02929	7.1
61.19088	3.0
69.03437	18.2
69.57014	21.4
70.06598	84.2
71.04995	8.8
72.08144	21.4
73.02936	9.8
73.08500	3.4
74.97626	7.4
80.05015	7.0
81.03421	13.7
81.04543	5.2
82.06600	8.2
84.04520	8.8
84.08157	27.2
84.96058	6.1
85.02916	31.7
86.03247	4.0
86.09716	14.1
86.97597	7.1
87.04504	3.1
87.05553	3.4
87.10082	3.6
88.04011	18.1
91.05477	4.0
95.06105	9.4
96.04451	4.1
97.02884	19.5
97.07698	4.0
98.06068	12.2
98.09714	7.6
98.20922	5.7
98.97595	100.0
99.04455	5.1
101.00875	8.3
105.03396	7.6
106.02926	4.8
109.02900	6.1
110.06155	3.0
110.07152	9.6
110.97591	15.0
111.04452	4.5
112.08731	12.4
112.99163	13.7
113.06052	6.6
115.03985	3.3
115.08698	9.1
116.03481	3.8
116.07098	7.8
116.98632	33.1
119.01920	9.2
119.04942	4.4
122.07118	3.0
123.04441	3.1
123.05545	3.8
124.03983	7.4
124.95436	3.9
124.99116	4.1
125.02338	5.4
127.03939	7.8
128.07088	55.8
128.98579	15.3
129.07436	31.5
129.10265	10.2
130.05032	4.2
130.08684	17.3
130.09598	3.5
131.00206	17.0
131.01936	4.9
134.99681	11.2
137.02298	7.1
137.06006	9.9
139.03909	27.1
140.07076	4.2
141.05586	6.0
141.06625	16.5
142.96497	4.9
143.00214	18.0
143.01888	5.0
143.03474	4.2
143.07170	6.5
143.08177	15.2
144.13849	4.1
145.01744	3.8
145.03511	4.0
146.06015	7.1
146.99652	10.2
147.01459	4.0
147.04448	9.6
149.01228	11.3
150.05528	6.2
152.98608	3.8
155.01921	4.7
157.03450	4.8
158.99706	20.5
160.07578	5.6
161.01274	20.3
161.02994	11.2
161.07921	3.7
163.03917	13.4
168.06639	8.0
170.99712	7.4
171.06465	3.5
172.07544	7.1
172.10808	9.0
172.94342	6.6
173.01292	18.6
173.02728	3.9
173.05939	4.0
173.09256	4.5
177.00783	14.9
177.05559	3.4
178.04959	10.7
179.02299	26.6
182.09395	4.3
185.01248	22.2
185.02809	5.7
185.07988	7.4
189.13460	44.4
190.95436	6.5
191.02310	14.7
191.93036	3.7
193.00256	5.8
197.03307	9.2
199.09421	4.5
200.07257	4.8
200.09216	15.2
201.05609	8.2
201.11050	8.1
203.02219	61.3
207.03123	4.4
208.96208	4.9
211.09476	4.9
216.12112	8.1
219.01750	19.3
221.03311	24.3
227.02264	16.3
228.08617	5.0
228.12241	7.6
232.96535	8.1
233.03345	5.4
237.02863	16.9
245.03249	28.2
246.09726	15.1
260.14948	3.9
263.00763	6.5
270.10956	3.6
273.10742	6.0
287.05649	3.9
287.11835	5.6
288.11594	4.9
288.14313	35.1
305.06067	73.5
305.11658	7.0
305.14404	96.2
305.17044	16.0
323.06500	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	304.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
55.05505	5.1
57.07058	3.4
58.02956	7.5
60.12373	3.7
63.90802	3.3
67.05502	14.5
69.07064	12.3
70.97112	4.5
71.04997	5.9
79.05499	21.1
79.25904	3.2
81.07055	13.9
84.52170	3.0
88.50722	3.2
91.05479	22.6
93.07048	78.6
95.04945	5.3
95.08634	20.8
97.06519	12.4
98.09709	5.2
105.07035	9.5
107.04959	13.2
107.08607	93.7
109.10171	13.9
121.06503	4.8
123.11618	3.5
124.78170	3.0
134.06024	6.8
135.06827	32.3
135.07892	5.7
135.11703	48.1
140.14325	4.8
147.04407	4.4
152.07082	100.0
153.12767	10.6
158.15358	4.5
161.06064	3.6
259.16992	23.2
304.05301	15.3
304.19058	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	304.191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84412	4.2
55.05523	8.8
56.05043	4.9
57.07077	11.7
58.02941	4.4
58.90047	4.7
59.04987	6.3
67.05492	16.3
69.07081	41.9
70.24758	16.7
71.04989	15.5
71.29764	3.8
73.06567	5.2
79.05493	23.2
81.07065	53.2
83.05000	10.5
83.08591	14.8
88.07632	15.4
91.05482	27.0
93.07056	74.9
95.08601	20.5
97.06544	11.6
98.09689	11.0
107.04954	25.2
107.08605	76.3
109.10197	22.5
118.06551	5.5
121.06518	53.9
123.11705	14.1
135.06804	15.8
135.11714	100.0
137.05954	6.1
145.60527	4.5
147.04425	6.0
152.07066	60.4
153.12762	65.3
164.07091	33.6
171.72717	5.3
178.08644	7.6
190.08672	5.3
202.08574	7.6
218.34090	4.3
241.15782	5.5
253.15944	6.0
256.26352	17.9
259.17053	31.8
286.18091	10.5
304.05307	12.8
304.10934	11.7
304.19122	46.1
304.28531	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01855	0.5
55.05309	0.5
55.05518	4.8
56.67259	0.4
57.07069	1.3
65.03938	0.6
67.05188	0.5
67.05518	5.6
69.03408	0.5
69.07078	39.8
71.04993	1.2
71.93713	0.5
77.03914	0.6
79.05505	5.5
81.07059	4.7
83.04994	7.5
83.08623	1.7
85.06557	2.2
87.58462	0.4
91.05486	4.0
93.07053	31.1
95.04967	0.6
95.08628	4.8
97.06545	19.5
105.07038	1.7
105.07697	0.4
107.04955	0.6
107.08608	31.2
109.06559	0.5
109.10172	18.2
111.08109	2.2
125.09660	1.1
135.11713	13.8
152.07115	0.6
153.12762	100.0
164.07114	1.2
183.74348	0.4
211.07716	0.6
228.98355	0.5
234.11324	0.6
304.19113	11.5
304.31195	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	304.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01880	0.8
55.05518	5.8
57.07072	1.2
64.35038	0.6
67.05173	0.8
67.05511	6.5
67.05845	1.0
69.07076	45.6
70.91029	1.6
71.04999	1.0
79.05517	4.8
81.07053	5.4
83.04990	11.0
83.08624	2.2
85.06535	1.8
91.05481	5.7
93.07053	34.8
95.04966	0.8
95.08628	5.5
97.06539	19.7
105.07047	1.9
107.04919	1.2
107.08606	36.9
109.06490	0.8
109.10168	19.1
111.08098	4.1
111.11702	0.9
119.04926	0.7
125.09666	1.0
128.73581	0.6
135.11702	13.7
153.12759	100.0
154.13132	0.5
155.83453	0.6
161.09642	1.2
164.07040	1.0
189.09064	1.2
193.49002	0.7
241.16055	0.9
259.17032	0.8
280.39188	0.6
297.16571	0.7
304.19125	13.2
304.31192	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.2
59.04992	3.0
61.28839	2.4
61.31782	2.3
61.45187	2.4
61.88334	2.0
63.02204	2.1
69.07061	2.5
69.82557	12.7
71.05004	18.8
73.06557	7.6
79.05511	5.0
79.25372	2.3
81.07069	27.3
83.04972	7.1
86.27569	2.3
90.08517	2.1
91.05495	6.2
93.07063	14.4
95.08605	3.4
97.06528	3.1
98.09702	4.9
98.20860	4.6
104.74280	2.3
107.08604	12.1
113.06036	3.6
135.11705	33.5
147.04393	2.4
152.07001	4.7
153.12764	100.0
244.31598	2.6
273.08881	4.2
289.08582	12.8
304.05350	9.5
304.10928	26.9
304.19263	4.0
304.28455	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	304.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89571	0.1
57.07079	0.2
58.06591	0.2
65.03952	0.3
67.05498	0.2
69.07063	1.5
70.00942	0.5
70.06589	0.3
71.49254	0.1
72.08155	3.7
88.07655	0.2
91.05489	4.4
91.87077	0.1
98.09676	0.7
98.21419	0.2
106.73575	0.1
112.80735	0.1
119.04946	16.9
140.14345	0.2
147.04414	100.0
148.04736	0.5
158.15425	0.3
215.10683	9.0
230.05286	0.2
237.56898	0.2
242.24818	0.5
304.05319	2.0
304.10901	0.5
304.19049	1.4
304.28571	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1871
Annotation	Leu-Thr-Ala
Peak:m/z	Relative Intensity
53.03955	1.0
56.05039	6.0
56.96560	4.6
57.03437	1.7
58.06607	6.2
60.04528	1.6
60.05670	1.0
61.02924	1.2
69.03432	3.1
69.07081	7.5
69.75659	2.7
69.76073	4.2
70.06606	13.0
72.08161	5.6
73.75392	1.2
74.06092	26.1
79.05504	1.1
81.03423	1.9
81.04509	1.2
81.07050	1.9
82.24480	1.0
84.04520	6.4
84.08143	7.9
84.96024	1.0
85.02917	6.3
86.09715	100.0
87.04467	1.3
88.04005	2.7
88.11256	1.4
90.05578	1.5
95.06097	1.4
96.08156	1.2
97.02882	3.1
98.09727	6.1
98.97580	7.7
101.07153	6.1
102.05513	1.8
103.04059	1.0
109.02864	1.2
110.97570	2.3
116.07110	3.4
116.98639	2.7
119.01862	1.2
120.06580	3.5
122.95148	1.0
123.04408	2.1
124.07593	10.6
124.08450	1.7
127.04004	1.2
128.07062	1.5
128.98582	1.7
129.10274	3.0
130.08632	2.3
131.00165	1.1
132.10292	1.2
134.06010	2.2
137.05977	3.8
140.14326	2.8
141.05481	8.3
142.05811	3.6
142.08691	8.5
142.09720	1.6
142.12282	9.7
143.00183	1.4
143.11847	1.7
145.09796	1.9
147.04404	4.6
152.07086	4.3
156.10187	1.4
157.13380	16.5
158.99719	1.5
165.05490	1.3
169.13411	1.4
173.01227	1.4
173.09282	5.0
177.00720	1.5
185.12888	7.8
187.14442	38.9
191.10281	16.8
197.12849	1.8
201.08795	1.2
201.12306	7.1
202.54672	1.3
215.13937	26.6
219.01649	1.5
226.28192	1.2
229.12045	1.2
237.02841	2.6
265.59189	1.1
275.09030	1.3
276.18640	1.3
286.17542	5.8
304.05338	1.5
304.10849	4.9
304.14505	1.7
304.18903	5.0
309.08490	1.5
329.31146	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.0
55.05506	16.7
56.05029	5.5
57.07074	13.6
67.05504	14.3
69.07076	63.6
69.89537	9.4
69.89949	16.9
71.04992	18.6
79.05502	31.8
79.24299	4.2
81.07058	63.7
82.87554	4.5
83.08620	9.7
88.07634	16.7
91.05489	22.5
93.07048	88.6
95.04984	7.5
95.08599	27.5
97.06525	12.5
105.07040	11.7
107.04970	17.5
107.08603	97.4
109.10168	23.0
121.06518	62.7
123.11723	18.8
125.13227	7.5
129.06952	4.8
134.05983	5.9
135.06816	20.3
135.11690	100.0
146.06027	7.6
152.07063	56.3
153.12759	81.7
158.07385	4.7
164.07080	39.8
178.08629	9.8
188.07124	5.5
202.08563	6.1
217.21432	4.5
220.63564	5.3
230.11877	5.9
241.15973	6.9
253.16066	10.3
254.48511	4.4
256.26398	16.0
259.16962	35.6
286.18094	15.1
289.08652	6.4
304.05643	4.6
304.10571	5.9
304.19159	43.2
304.28464	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
55.94647	0.3
59.04960	0.4
61.02938	0.5
61.98549	0.3
69.03426	1.2
69.07064	0.4
70.06582	1.1
71.06763	0.6
72.08166	3.0
73.02911	0.5
79.05502	4.9
80.05023	1.0
81.03450	0.7
81.05801	4.9
81.07060	3.7
84.04497	0.4
84.08144	1.6
85.02900	1.7
86.09715	0.6
87.58743	0.4
94.06588	1.6
96.08135	15.8
97.02905	0.8
97.06538	0.8
98.09671	0.8
106.06549	2.9
107.04945	0.5
109.02940	0.4
124.07600	100.0
125.06013	2.1
127.03889	0.5
129.10233	0.5
130.06642	0.4
130.19963	0.3
136.07576	0.4
138.06320	0.5
142.08635	3.8
147.04442	0.7
217.08914	0.4
231.65778	0.5
241.03740	0.3
284.05972	0.4
289.80215	0.3
304.11697	0.3
304.16205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44701	0.3
53.03941	0.5
53.17844	0.4
54.55826	0.4
55.05512	1.8
57.03434	0.9
69.03424	1.2
70.06588	0.9
70.56548	1.3
72.08165	4.7
79.05495	4.5
80.05020	1.4
81.05811	4.6
81.07060	2.9
84.08146	1.3
85.02905	1.3
91.05468	0.4
94.06564	1.3
96.04527	0.4
96.08141	16.2
97.06512	0.7
106.06566	2.9
107.04971	0.5
107.87844	0.3
107.88580	0.4
111.05385	0.4
118.08697	0.8
124.07602	100.0
125.05994	1.8
136.07567	0.7
137.05978	0.8
138.06332	0.8
142.08652	3.8
159.18253	0.4
231.65775	1.3
304.20813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37962	0.9
53.03928	1.5
55.01883	1.4
55.05513	2.7
56.05020	1.1
57.03428	4.3
57.49077	1.0
58.06602	1.5
60.04528	8.3
61.02909	3.3
67.05503	1.9
69.03439	11.8
69.07074	32.9
69.69806	3.2
69.70196	1.9
70.06601	10.0
71.08635	17.7
72.08156	8.4
72.23808	1.2
72.85106	1.2
73.02917	1.6
74.06083	2.8
77.59225	1.1
79.05462	2.7
81.03432	8.1
82.57166	1.0
83.06078	1.0
84.04501	4.8
84.08153	8.3
85.02914	52.6
86.02431	4.1
86.09713	15.3
88.07613	1.2
91.05483	1.9
93.07052	1.7
94.06569	2.6
95.04948	1.1
95.06097	1.1
95.08650	1.2
95.36691	1.0
96.08122	4.1
97.02900	34.0
97.06528	3.8
98.09681	4.0
98.21465	1.4
98.97578	1.3
99.04430	3.2
103.03963	6.7
104.07082	1.8
105.07046	1.8
105.74913	1.1
107.04932	1.2
107.08593	1.1
109.02886	10.9
109.06514	1.9
109.07669	1.4
110.07162	1.4
114.09180	17.1
116.07140	1.1
119.04988	1.3
119.08614	2.2
120.08076	3.7
121.02860	3.6
122.02754	1.4
123.04440	2.0
124.07580	4.6
127.03948	10.7
129.10228	3.5
130.06525	3.8
130.96484	1.1
132.10304	1.3
137.05983	11.3
138.06348	7.8
138.09114	4.6
140.14308	2.3
142.08649	100.0
143.11885	1.1
145.04930	5.6
147.04367	5.1
154.07297	1.0
156.07635	1.2
156.10197	2.6
157.07581	1.3
165.09082	2.5
167.07108	2.4
180.10133	1.3
184.09709	63.4
197.51334	1.3
201.12415	1.5
208.09711	13.5
210.11108	1.7
220.09836	2.6
223.07556	4.2
227.09111	3.1
238.10812	1.4
242.09158	2.4
250.10736	7.7
255.08582	5.5
255.14441	2.1
258.09695	1.7
260.21307	1.9
268.09763	2.0
281.12442	1.6
286.12601	2.5
304.05353	9.5
304.11407	2.2
304.13583	3.3
304.16388	5.4
304.19324	3.7
304.23605	5.1
305.15427	2.0
329.26617	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1956
Annotation	CHEBI:70566
Peak:m/z	Relative Intensity
55.01871	4.7
55.05518	3.8
57.07052	1.0
67.01852	0.6
67.05509	3.6
69.07076	8.4
70.04201	2.9
70.06593	1.3
70.31349	0.7
73.59743	0.6
77.03939	1.0
79.05068	1.0
79.05497	13.0
81.07069	10.1
83.94856	0.6
85.06543	2.5
88.62875	0.6
91.05495	4.6
93.07054	1.2
95.04988	1.0
95.08618	5.0
103.05512	3.7
105.07041	41.3
107.04961	2.6
107.08619	4.3
109.10177	2.2
111.11711	1.1
115.05466	5.9
117.07022	3.3
119.04989	0.7
119.08588	0.9
121.06490	0.9
123.11691	1.6
128.36307	0.6
129.07011	1.5
131.04930	1.8
131.08591	1.2
133.06500	51.9
135.08072	5.1
137.13229	1.0
141.07030	0.7
143.04944	3.2
144.05707	0.8
145.06497	25.3
147.07979	3.1
147.11685	4.4
155.33801	0.6
157.06474	3.3
159.08066	4.3
161.05994	100.0
162.06433	0.7
163.07542	4.1
165.06918	0.7
170.07272	0.8
171.08014	3.1
173.06015	3.2
173.09666	2.1
175.07561	5.5
175.11218	1.3
179.08569	1.0
183.08057	3.0
185.09628	3.5
187.07509	1.8
187.11209	1.6
189.09123	1.7
197.09647	3.2
199.11208	2.4
201.09114	4.6
201.12840	2.5
203.10783	1.0
211.11205	3.1
215.10733	1.3
215.14351	0.7
217.12320	2.1
225.12718	1.5
229.12267	1.3
229.15846	0.9
244.17030	0.8
246.96490	0.6
267.17365	1.5
273.18436	0.6
285.18484	12.6
303.05014	7.0
303.08023	0.9
303.19586	23.2
304.19128	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05513	1.2
65.03920	0.9
67.05490	1.3
68.99785	1.9
69.03454	0.9
69.07072	22.8
69.39954	6.7
79.05498	1.6
81.07061	3.4
83.04998	5.8
83.75051	0.8
84.08115	0.9
84.44758	0.8
91.05490	2.6
93.07043	1.0
95.04996	4.1
95.08601	2.9
97.06527	2.5
105.07032	2.3
107.04958	1.0
107.07798	0.9
107.08562	1.9
109.02877	0.9
109.10148	2.2
111.00839	1.2
113.05975	1.5
114.20356	1.0
115.05443	1.2
117.06992	1.3
121.02837	1.9
123.04450	1.7
123.08092	0.8
123.11709	0.7
127.03911	0.9
129.07019	5.6
131.04895	1.4
131.08600	2.3
137.02339	6.6
137.06001	5.5
141.07002	1.6
143.04904	1.1
144.05730	4.7
144.06647	0.8
145.06494	1.3
145.10098	1.2
149.02362	1.5
151.03899	0.9
151.07526	1.3
153.01822	10.0
153.12770	1.0
155.04913	1.1
157.06506	1.8
159.04413	1.1
159.08067	4.4
160.05200	4.4
163.03922	1.0
165.01855	3.9
165.05496	1.0
165.06903	1.5
169.06474	1.7
171.08069	1.7
172.05193	3.1
173.05951	1.9
174.06764	2.0
175.07561	28.8
177.09035	1.3
181.06465	1.9
183.02892	0.9
183.04347	1.0
183.07964	1.0
183.11765	1.3
185.05989	1.6
187.04059	1.7
187.07558	58.2
189.09125	3.1
191.10831	0.9
195.11777	1.0
197.05905	2.1
197.09824	1.0
199.07564	3.2
201.05435	4.4
203.10770	1.0
205.08679	1.1
207.10043	1.7
211.07611	1.3
211.11154	2.4
212.08330	1.9
213.09142	1.9
217.08603	22.7
223.11128	1.2
225.09071	1.0
228.11469	3.4
229.05026	8.2
229.12292	1.4
237.27422	0.8
243.13820	46.6
247.05991	1.0
255.13809	32.3
257.04404	4.3
257.15262	1.3
271.14270	0.9
273.14844	13.7
285.04056	2.4
285.14758	1.4
303.05005	100.0
303.16022	8.2
303.19507	2.1
303.22827	1.5
304.28470	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1956
Annotation	Aspergin
Peak:m/z	Relative Intensity
51.15646	0.5
52.92844	0.6
53.54896	0.6
55.05516	9.6
57.07075	0.9
62.89233	0.6
67.05505	0.8
69.07073	18.7
70.20453	1.3
70.20842	1.2
75.49308	0.5
79.05511	2.7
81.07044	1.8
81.92471	0.6
83.08619	4.1
91.05495	3.0
91.26449	0.6
93.07040	3.6
95.08623	0.9
95.44920	0.6
97.10188	3.7
103.05475	0.7
105.07056	1.7
107.04967	6.0
107.08600	2.2
109.10165	0.7
111.11737	2.9
115.05463	2.5
116.06258	0.6
117.07037	1.6
119.08572	0.8
121.06512	2.6
121.10172	1.0
123.04453	0.7
123.11678	1.3
129.07042	2.7
131.04918	1.3
131.08549	3.0
132.05670	1.3
133.06523	1.7
135.11703	1.4
138.06674	0.6
141.06984	2.4
143.08600	1.3
144.05722	2.6
145.06516	6.6
146.07228	0.6
147.08046	1.0
153.07016	0.7
154.07730	0.8
155.08563	2.9
155.95511	0.6
157.06512	3.0
158.07280	3.9
159.08049	7.1
160.05237	1.0
161.05984	3.7
161.09616	1.7
161.84933	0.6
165.05563	0.6
167.07059	22.7
169.10150	2.0
171.08170	1.1
172.05214	1.2
172.08875	1.1
173.06001	4.7
173.09613	2.4
174.06795	1.0
175.07492	4.6
177.05421	0.7
178.06293	2.1
181.08589	8.6
182.69208	0.6
183.08066	2.6
186.06747	1.4
187.07559	8.0
187.11197	1.9
189.05658	0.7
189.09174	4.4
190.06247	1.7
191.07079	2.5
192.07817	6.4
193.08612	9.5
195.10168	1.8
197.09608	2.0
200.08279	0.8
201.09119	4.1
203.07062	1.0
204.07796	2.9
205.08612	25.7
206.09424	5.4
207.10176	12.0
211.14906	0.7
214.10016	0.7
215.10733	7.2
217.08650	0.6
218.09364	1.3
219.10176	33.1
220.11003	1.3
221.11722	7.3
229.12238	4.9
232.10971	1.3
233.11725	10.7
234.12666	0.6
235.13277	0.9
239.14330	1.0
243.17477	0.8
245.11797	1.3
246.12492	1.7
247.13316	45.6
252.88655	0.6
260.14163	1.4
261.14862	5.2
271.17023	5.4
289.22586	0.7
303.05023	4.6
303.19565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1592
Annotation	Pestaloficiol K
Peak:m/z	Relative Intensity
55.05492	3.7
69.03408	2.6
69.06731	2.1
69.07076	27.3
70.90443	2.6
83.04990	30.3
91.05457	2.0
103.05469	1.3
105.07052	2.2
113.06017	7.9
115.05452	6.3
117.07021	2.5
128.06239	3.4
129.07007	11.5
131.04921	2.9
131.08568	5.4
137.02351	1.7
137.05965	5.4
141.07008	11.9
143.04900	2.8
143.08575	2.1
144.05728	7.1
145.06487	3.4
147.07985	1.7
151.07536	5.4
153.06934	2.9
154.07719	1.8
155.08572	6.6
157.06531	7.6
158.07269	2.0
159.04393	2.1
159.08055	8.2
160.05188	17.1
163.07549	2.1
167.04959	2.7
167.08553	2.4
169.06500	5.2
169.10141	5.9
171.08061	4.1
172.05223	4.2
173.05995	3.3
174.06743	4.0
175.07567	100.0
177.09045	2.4
179.08563	1.4
180.05830	1.4
180.54199	1.5
181.06570	3.4
183.08066	2.8
183.11716	7.1
185.05971	10.0
187.07561	95.7
189.09070	13.3
191.06927	2.3
194.07188	1.5
195.11600	1.7
197.05959	6.0
197.09601	5.7
198.06738	1.4
199.07510	4.9
200.08185	2.1
201.09111	7.7
202.06223	2.9
203.10643	4.5
205.08583	2.9
205.12164	1.5
207.11801	1.9
209.09639	1.6
211.07526	3.3
211.11182	9.5
212.08372	3.8
213.09062	4.3
214.09909	1.8
217.08604	32.2
217.12068	1.8
219.10146	5.4
223.11160	3.1
225.09166	2.7
225.12711	3.4
227.10699	1.5
228.11482	24.2
229.08569	3.6
229.12189	7.6
232.08888	1.3
235.09479	2.2
240.11407	5.8
241.12279	5.4
243.13837	68.6
247.09698	11.2
255.13820	58.5
257.15363	4.5
267.13852	3.2
273.14844	19.8
285.14810	15.6
303.05008	16.3
303.10315	2.3
303.15918	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	303.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40775	1.2
55.05507	3.8
57.07042	1.5
66.84799	1.3
69.03421	1.8
69.06745	2.2
69.07079	30.5
69.25914	12.1
69.53564	1.3
83.04989	30.4
91.05472	2.0
93.74957	1.4
113.06022	7.0
115.05470	5.3
117.07027	3.9
121.06446	1.5
128.06239	2.7
129.07025	12.2
131.04927	2.4
131.08543	5.4
137.05917	6.6
141.06995	11.8
141.34131	1.3
143.04903	3.5
143.08546	1.9
144.05696	8.8
145.06493	4.0
151.07584	6.3
154.07762	1.8
155.08531	5.9
157.06509	9.2
158.07240	1.8
159.04462	2.5
159.08063	8.9
160.05223	17.4
167.04857	1.6
167.08566	3.0
169.06473	5.1
169.10132	7.6
171.08012	2.4
172.05222	4.0
173.06013	3.2
174.06760	5.8
175.07565	100.0
177.09055	2.4
179.08543	2.3
181.06483	3.0
182.07341	1.4
183.08087	2.0
183.11739	6.7
185.06000	6.5
185.09717	1.6
186.06625	1.7
187.07559	94.9
188.08423	1.6
189.09117	16.0
191.10692	2.6
195.07993	2.3
195.11751	1.6
197.06071	6.6
197.09671	7.0
199.07527	4.7
201.09167	8.8
202.06172	1.9
203.10666	4.2
205.08549	2.3
205.12274	2.4
209.09557	3.3
211.07639	3.6
211.11237	8.1
212.08380	2.4
213.09120	3.4
217.08632	34.9
217.12027	2.2
219.10130	9.2
223.11169	3.3
225.09103	1.7
225.12662	2.5
227.10483	3.3
228.11473	20.0
229.05209	1.9
229.08519	2.7
229.12344	7.2
235.11354	2.2
240.11407	4.7
241.12190	3.8
243.13835	72.2
247.09718	12.5
255.13821	50.6
255.15778	0.9
257.15262	2.1
262.52194	1.5
267.13782	1.6
273.14828	21.6
278.32431	1.3
285.14932	15.5
303.04959	16.2
303.10321	3.0
303.15948	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1594
Annotation	Enterodiol
Peak:m/z	Relative Intensity
53.82769	3.0
55.01872	4.5
55.05516	4.2
58.01306	2.8
61.32633	3.0
67.05486	4.5
69.03431	6.4
69.07079	45.4
69.36591	15.9
69.37010	7.5
81.07050	8.6
83.04990	37.6
91.05476	3.2
93.07057	6.4
95.04893	4.0
95.73683	3.5
108.01796	3.7
109.06516	9.0
113.06039	8.5
115.05464	6.0
117.07024	6.9
119.08578	4.8
121.06499	6.8
123.11718	3.7
128.06250	4.8
129.07008	13.8
131.04962	6.8
131.08597	9.5
133.10135	4.4
137.05968	10.0
141.07005	36.5
143.04922	4.1
143.08598	7.2
144.05722	10.9
145.06464	14.9
145.10080	4.9
149.09718	3.1
151.07555	32.2
153.01756	4.5
153.07007	6.9
154.07768	6.0
155.08556	13.1
157.06523	9.4
159.08083	11.3
160.05205	8.6
165.06998	7.2
166.07791	3.6
167.08633	7.2
169.06485	12.6
169.10121	36.7
170.07289	4.0
171.08121	10.3
172.05161	7.4
173.05992	10.1
173.09628	6.8
175.07574	56.1
177.09140	13.1
179.08620	9.7
181.06537	8.1
181.10138	4.2
182.07298	4.9
183.08052	9.2
183.11748	6.7
185.06029	14.9
185.09579	6.1
187.07565	100.0
188.08473	4.2
189.09120	12.9
191.08615	3.7
191.10667	3.1
195.08116	7.0
197.06108	3.6
197.09613	35.2
198.06792	4.1
199.07614	17.5
200.08342	4.0
201.05362	3.3
201.09151	27.8
203.10724	9.9
205.08606	5.2
205.12263	8.1
207.11748	9.8
209.09648	6.5
211.07599	8.4
211.11215	13.1
212.08429	5.8
213.09201	13.7
214.09917	12.9
215.10677	9.9
217.08633	35.7
217.12190	5.9
223.11230	12.4
225.09113	6.9
225.12749	12.4
227.10698	9.2
228.11459	29.1
229.04988	5.2
229.08591	11.6
229.12245	58.0
235.11176	10.5
239.10660	6.1
240.11470	8.5
241.12350	23.2
243.13840	73.0
247.09677	21.7
253.12297	6.1
255.13826	61.6
255.16278	5.5
257.15350	14.2
260.27451	3.7
267.13782	10.1
273.14871	23.0
285.14899	71.8
285.21844	3.4
289.08432	3.2
303.05057	57.6
303.08685	4.5
303.10400	7.3
303.15863	51.2
303.23224	5.2
303.30933	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	303.1593
Annotation	Enterodiol
Peak:m/z	Relative Intensity
52.36513	2.7
54.87412	2.8
55.01857	5.3
55.05498	4.3
63.66828	3.3
69.03423	10.9
69.07071	27.8
70.70670	4.7
70.71006	5.6
75.50425	2.9
78.85303	3.0
81.07062	5.9
83.04990	34.0
91.05469	6.6
93.07079	3.1
95.08551	3.4
103.05421	4.7
113.06003	14.7
115.05451	6.6
117.07005	6.5
121.06474	5.8
128.06224	6.0
129.07007	16.8
131.04951	8.1
131.08566	6.8
137.06007	21.8
141.06995	43.5
143.04904	9.9
143.08554	6.5
144.05656	6.3
145.06476	14.6
145.10156	5.0
151.07579	34.0
153.06970	6.4
154.07741	8.8
155.08597	20.7
157.06491	15.3
158.07242	8.1
159.04417	12.2
159.08093	9.0
160.05115	7.3
163.07521	5.7
165.06981	8.6
166.07835	6.5
167.08511	5.3
169.06451	25.3
169.10118	43.0
171.08040	9.1
172.05179	5.4
173.05969	6.7
173.09586	6.9
174.06822	3.8
175.07565	35.7
177.09099	20.3
179.08582	7.6
181.06483	9.5
181.10103	7.1
182.07318	5.8
183.08109	10.9
183.11607	7.0
185.05994	10.8
185.09613	7.7
186.06783	5.8
187.07570	86.6
188.08305	3.6
189.09106	10.5
191.10663	4.4
192.09351	5.8
193.10181	3.6
195.08034	9.3
195.11719	9.2
197.05965	14.4
197.09633	47.8
197.13277	7.0
199.07565	15.6
199.11185	6.4
201.09109	38.4
202.09660	3.6
203.06862	4.4
203.10805	15.6
205.12289	10.5
207.11658	12.0
209.09671	7.4
211.07579	6.0
211.11230	13.0
212.08260	7.1
213.09113	14.3
214.06282	3.5
214.09874	16.7
215.10677	13.1
217.08638	47.9
217.12129	5.0
219.10098	5.0
223.11203	15.5
225.09119	10.6
225.12701	18.4
226.09895	5.6
227.10667	11.6
228.11497	13.3
229.08702	21.1
229.12250	76.6
235.11371	17.7
241.12230	26.0
242.13161	4.0
243.13850	40.1
245.15437	5.3
247.09685	66.8
252.11287	4.4
253.12263	10.0
255.13853	62.2
257.15381	27.3
257.58090	3.0
259.13251	3.9
260.08234	4.5
267.13794	18.5
271.13342	4.2
273.14819	30.0
285.14874	100.0
288.07709	3.8
303.05042	17.6
303.10342	24.9
303.15903	77.8
322.72430	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1594
Annotation	Pestaloficiol K
Peak:m/z	Relative Intensity
55.01852	1.7
55.05502	5.0
57.07062	5.7
67.05492	2.8
69.03439	3.8
69.07076	19.6
70.06595	8.5
70.09688	3.4
70.10102	6.2
71.08638	2.3
82.26024	1.6
83.04990	27.3
84.40675	1.7
88.07654	13.2
89.07967	4.0
91.05491	3.2
95.08607	2.2
98.21484	1.9
102.09187	2.8
105.07072	2.0
106.08675	6.6
113.06013	8.0
117.06998	3.2
121.06556	2.5
126.65537	1.7
128.06241	3.2
129.06969	10.1
131.04935	3.6
131.08549	4.9
137.02411	1.5
137.05995	7.2
141.07001	19.9
143.04890	1.9
143.08562	3.6
144.05724	4.5
145.06483	5.2
151.07558	13.8
153.06961	1.9
154.07796	4.5
155.08568	5.0
157.06468	6.3
158.07294	2.3
159.04466	4.2
159.08073	5.2
167.08606	3.6
169.06516	9.7
169.10127	22.4
171.08029	4.8
172.05182	3.3
173.06003	2.3
174.06792	4.3
175.07574	20.6
177.09193	9.3
179.08629	2.8
181.06511	3.6
182.07294	1.9
183.08070	2.7
183.11739	3.2
185.05986	7.3
185.09674	2.8
187.07574	52.2
188.08376	3.1
189.09091	9.8
191.10680	3.5
195.08105	4.4
195.11667	2.7
197.05980	4.0
197.09645	22.1
199.07570	8.1
200.08260	2.4
201.09181	12.6
203.10654	6.2
205.12241	2.1
207.11760	4.2
209.09605	3.3
211.07579	2.8
211.11189	7.4
212.08311	1.9
213.09187	7.5
214.09874	6.2
215.10609	5.2
217.08604	25.7
217.11969	2.4
219.10161	3.3
223.11200	5.4
225.09158	1.9
225.12802	8.8
227.10683	4.0
228.11530	10.4
229.08627	7.9
229.12259	27.5
235.11205	5.4
240.11520	2.2
241.12239	11.4
243.13850	36.0
245.11809	2.0
247.09700	23.3
253.12202	3.5
255.13846	32.8
256.14389	1.9
257.15347	9.1
260.08420	2.0
267.13876	4.2
273.14890	16.1
285.14871	40.1
285.29910	7.9
302.30643	11.8
303.05103	18.2
303.10388	4.2
303.15918	29.4
303.30899	100.0
311.14627	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	303.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.4
55.05493	7.6
57.07072	3.1
62.31189	3.1
67.05487	8.0
69.03416	9.0
69.07074	42.6
69.94161	9.6
74.53590	3.0
79.05495	4.7
81.07066	12.0
83.04993	69.0
91.05473	7.8
93.07053	6.1
95.04944	3.7
95.08592	7.4
97.06499	2.7
98.09655	2.8
103.05433	5.7
105.07005	5.9
107.04902	2.9
107.08578	6.0
109.06516	3.8
109.10179	5.2
113.05978	15.8
115.05470	7.6
117.07016	8.0
119.08550	3.8
121.02851	10.4
121.06499	4.0
121.10157	4.9
122.03638	3.0
123.08056	4.8
123.11806	2.6
128.06242	8.4
129.07045	16.4
130.07721	2.7
131.04926	10.2
131.08571	8.7
135.11650	3.0
136.05205	3.2
137.02327	8.2
137.05988	24.3
141.07001	42.1
143.04884	5.3
143.08542	6.0
144.05696	6.9
145.06525	12.8
145.10173	4.4
149.05974	2.7
151.07559	26.0
153.01828	8.5
153.07030	7.5
154.07748	8.8
155.04982	2.6
155.08585	17.0
157.06509	19.1
157.10083	3.6
158.07274	4.6
159.04517	6.0
159.08008	10.8
160.05191	8.7
163.07561	6.7
165.07022	7.5
166.07802	5.6
167.04924	3.4
167.07169	3.6
167.08580	7.2
169.06514	17.7
169.10146	32.8
171.08044	6.3
171.11729	2.8
172.05188	3.0
173.05971	9.9
173.09595	4.6
174.06779	6.1
175.07550	42.9
177.09152	13.5
179.08594	6.1
181.06572	11.9
181.10080	5.9
182.07256	3.4
183.04462	3.5
183.08006	8.8
183.11732	6.0
185.05980	7.1
185.09601	2.9
186.06747	6.6
187.07576	100.0
188.08363	4.8
189.09164	14.8
190.09834	3.8
191.06981	3.3
191.10577	3.2
192.09473	6.2
195.08005	9.0
195.11748	4.0
197.05908	8.9
197.09637	48.5
197.13318	5.6
199.07567	16.9
199.11168	3.1
200.08305	3.9
201.05493	5.3
201.09097	29.9
203.08971	3.6
203.10605	17.1
205.12262	6.0
207.08025	3.9
207.11678	9.6
209.09630	5.4
211.07579	7.0
211.11223	11.8
212.08333	5.6
213.09048	14.9
214.09831	9.4
215.10669	8.3
217.08586	48.1
217.12128	5.8
219.10103	6.8
223.11215	14.1
225.09027	7.7
225.12703	10.6
227.10693	7.3
228.11472	14.1
229.05031	8.2
229.08661	19.2
229.12257	52.7
231.13771	4.4
235.11160	9.5
237.09132	3.6
239.10547	3.8
240.11430	5.8
241.12247	19.4
243.13837	61.2
245.09570	3.6
247.09708	50.0
252.11546	3.1
253.12236	6.6
255.13832	54.9
257.04599	3.3
257.15308	17.7
259.13092	4.2
260.08286	5.1
267.13687	12.8
271.13278	4.3
273.09048	3.3
273.14893	25.1
285.03827	3.2
285.14886	87.0
303.04971	94.5
303.10114	21.8
303.15918	45.3
303.19366	5.6
303.23416	5.3
303.26816	24.7
303.30884	9.5
304.05096	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	303.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01885	0.6
55.05502	0.5
56.68467	0.2
57.03446	0.2
65.03947	2.3
67.01860	0.3
67.05521	1.3
68.99799	2.1
69.03434	0.8
69.07075	1.2
70.06586	0.2
70.80211	0.2
70.80534	0.4
71.04993	0.2
72.08174	0.3
79.05507	0.9
80.05024	0.2
81.03429	1.2
81.07072	1.7
82.06607	0.2
83.04992	0.4
84.08154	0.3
84.76680	0.2
85.02914	0.2
91.05490	1.2
92.05010	1.8
93.03415	0.7
93.07063	1.5
94.04224	0.2
94.06570	0.4
95.04975	1.5
95.06048	0.2
95.08613	1.0
97.02889	0.9
97.06534	1.2
99.04459	0.2
99.08137	0.2
103.05495	0.4
105.03397	0.4
105.07021	1.4
107.04958	0.5
107.08605	0.8
109.02903	1.0
109.06522	0.5
109.10168	0.6
111.00809	1.9
111.04436	0.4
115.05422	0.5
117.06978	0.4
119.04924	0.3
119.08607	1.0
120.04479	0.8
120.08107	0.6
121.02905	2.3
121.06542	0.5
121.10159	0.7
121.40813	0.2
122.03666	0.8
122.09676	0.2
123.04455	1.2
123.08069	0.3
127.03942	0.5
128.06219	0.3
129.07024	0.5
131.04945	0.8
131.07353	0.2
131.08566	0.5
133.02834	0.2
133.06532	0.3
133.10127	0.7
134.06018	0.3
135.04430	0.6
135.08089	0.4
135.11685	0.2
137.01337	0.2
137.02364	7.2
137.03418	0.5
137.05998	8.1
137.09583	0.2
138.05522	14.1
138.09148	5.8
139.03917	0.2
141.06969	0.4
143.08592	0.5
145.06508	0.9
145.10104	0.7
147.04411	0.6
147.08101	0.3
147.11703	0.8
148.03894	1.0
149.02388	0.9
149.05952	0.4
149.09630	0.3
150.09149	0.8
151.03912	0.5
151.07576	0.6
153.01851	10.5
153.05453	0.5
153.07005	0.6
154.07811	0.2
155.04935	0.7
155.06062	0.4
155.08488	0.4
157.06480	0.3
157.10071	0.4
159.04437	0.3
159.07985	0.2
159.11720	0.5
160.05153	0.2
161.05992	0.9
161.09543	0.3
163.03918	1.6
163.05069	0.4
163.07614	0.4
164.07062	0.2
165.01862	3.8
165.07014	0.8
166.02687	0.7
166.05023	22.2
168.05685	0.5
169.06419	0.3
169.08871	0.2
171.10432	0.4
173.02405	0.3
173.06018	1.4
173.09633	0.2
175.11298	0.5
177.01752	0.2
177.05374	0.4
179.03467	0.6
181.04950	0.3
183.02919	1.8
183.04460	1.1
183.08075	0.7
183.11757	0.3
184.07620	0.3
184.11264	0.6
185.05969	0.4
186.05551	0.2
186.12860	0.3
187.03922	0.8
187.07478	0.2
191.03403	0.4
194.09724	0.3
195.02855	0.5
196.05316	0.3
196.09966	0.5
198.09235	0.3
199.14867	0.3
200.09422	0.5
201.05498	4.5
201.10368	0.4
203.03334	0.2
205.04961	0.5
206.09427	0.3
207.02789	0.2
207.10191	0.3
211.03981	0.3
211.07393	0.9
211.12358	1.1
211.14984	0.2
212.10733	2.5
213.05511	0.3
213.13834	0.3
214.12383	2.3
215.07063	0.2
219.06554	0.6
221.08087	0.3
225.09166	0.3
228.04225	0.6
228.08932	0.3
229.04990	10.2
229.09683	0.7
229.13361	1.5
230.11810	1.4
232.13350	1.8
239.03506	0.4
239.07028	0.3
239.11777	1.2
240.10217	1.3
241.13383	0.7
242.11891	2.0
243.10562	0.7
245.04408	0.3
247.06075	1.3
256.08429	1.4
256.12103	0.5
257.04501	5.4
257.09268	1.0
257.12894	6.6
258.05270	0.3
259.09668	0.3
259.12051	0.4
259.14606	0.3
260.12915	2.0
267.11334	1.3
268.09692	0.6
271.09698	1.0
272.11603	7.8
272.14523	0.5
274.04977	1.4
274.09500	4.4
274.12256	0.3
275.05469	0.5
275.10361	0.7
275.13910	3.6
285.04044	2.5
285.12384	10.0
285.15509	0.5
285.22253	0.5
286.10764	0.7
303.05038	100.0
303.13388	57.3
303.23135	1.1
304.05267	1.4
304.13699	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1229
Annotation	4'-Hydroxy-3,3'-dimethoxy-4,5-methylenedioxybibenzyl
Peak:m/z	Relative Intensity
53.03952	0.4
55.01864	0.5
55.05521	0.4
58.06588	0.3
58.25343	0.3
60.42247	0.3
65.03924	0.5
67.05494	0.6
68.99782	0.4
69.03429	0.5
69.07064	0.4
70.06597	3.2
71.06925	0.7
71.24332	0.6
72.08158	1.7
79.05497	1.2
81.07035	0.7
83.56300	0.4
84.04494	0.5
84.08143	1.3
85.02908	0.9
86.09718	1.0
91.05502	1.5
94.04192	2.2
95.04966	1.1
95.08608	0.5
97.02923	0.4
97.06556	0.4
101.06046	0.5
107.04947	0.9
109.02923	0.4
110.07156	0.5
111.99591	0.3
116.07121	0.3
117.07052	0.3
119.04959	1.4
119.79847	0.3
120.08099	0.7
121.02850	0.3
121.06503	0.4
121.79270	0.3
122.03660	7.4
122.67547	0.3
123.04425	2.4
129.10236	0.5
135.04395	0.6
137.05983	100.0
138.06325	0.7
139.03914	0.8
141.53423	0.3
143.04912	0.5
147.04420	2.1
147.83159	0.3
149.06003	1.3
151.03920	3.4
151.07541	0.5
153.01891	0.5
153.07033	1.2
161.05896	0.4
163.03905	0.4
163.07561	0.4
165.05583	0.4
165.06912	0.4
167.07062	1.0
173.06024	0.5
177.05473	0.7
179.06998	0.4
181.05070	0.4
181.06425	1.6
183.08401	0.5
193.04932	0.7
200.29303	0.3
201.50900	0.3
211.07454	0.3
213.09154	0.7
215.18385	0.6
231.06587	0.3
241.08760	0.8
253.08653	0.6
273.11292	0.7
285.07986	0.3
285.11633	0.6
300.95724	0.4
303.05038	3.6
303.08664	2.0
303.13544	1.3
303.28296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1076
Annotation	Isotachioside
Peak:m/z	Relative Intensity
50.63021	0.8
53.03959	0.7
55.01861	1.2
55.05515	1.2
57.03432	0.9
61.02922	2.0
62.01018	0.7
69.03443	4.8
69.22446	7.0
71.05009	0.9
73.02916	1.7
73.06554	2.9
81.03419	5.0
82.75764	0.8
85.02444	1.2
85.02914	21.5
87.04437	1.0
91.03957	1.4
95.04994	0.8
97.02905	6.6
98.03679	0.9
98.21503	1.8
99.04476	1.5
101.06011	2.4
109.02883	4.3
123.04407	1.3
126.03114	2.0
127.03941	5.6
137.06017	3.8
141.05475	100.0
145.04968	4.8
147.49086	0.7
151.03925	0.7
151.07603	0.9
153.05484	5.5
165.05513	4.8
177.05479	3.5
179.07109	1.2
181.04924	0.8
183.06569	4.2
207.06490	3.6
242.96918	0.8
244.72488	0.8
246.36534	0.7
249.07468	0.8
264.18591	0.8
274.24954	0.8
296.62515	0.7
303.10538	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1229
Annotation	4'-Hydroxy-3,3'-dimethoxy-4,5-methylenedioxybibenzyl
Peak:m/z	Relative Intensity
55.01871	0.8
55.05511	0.8
55.09404	0.3
55.79131	0.3
65.03946	0.4
65.93207	0.4
66.04705	0.5
67.05502	0.8
68.99778	0.5
69.07066	0.6
69.69918	0.3
70.06593	2.8
70.20067	0.8
70.20467	0.6
71.04985	0.4
71.06918	0.7
72.08154	2.1
73.06544	1.0
73.08469	0.5
79.05482	1.0
81.03429	0.5
81.07058	1.4
82.34731	0.3
83.04973	0.5
83.08640	0.3
84.04485	1.1
84.08147	2.0
86.09715	2.8
87.10034	1.1
88.47971	0.3
91.05470	1.6
93.07018	0.6
94.04219	2.3
95.04969	0.7
95.08591	0.7
97.02929	0.6
97.06519	0.5
101.06003	0.8
103.05467	0.8
105.07058	0.4
107.04974	0.7
109.02872	0.6
110.07179	0.5
111.00780	0.5
111.04438	0.6
113.06075	0.4
116.07124	0.4
116.98682	0.4
117.07020	0.4
119.04920	0.9
121.02887	0.4
121.06505	0.7
122.03663	7.0
123.04439	3.8
124.07572	0.4
127.03912	0.6
129.10229	0.6
131.04933	0.8
133.10193	0.4
133.75479	0.4
135.04390	0.6
137.02390	1.5
137.05988	100.0
139.03929	0.9
145.06470	0.6
147.04414	2.1
149.05995	1.4
151.03908	5.5
151.07596	1.4
152.06236	0.6
153.01839	2.1
153.05484	0.7
153.07021	1.6
155.08571	0.9
157.13353	0.6
158.13675	0.3
161.05991	0.7
163.03877	0.6
163.07549	0.9
165.01868	0.6
165.05513	1.1
165.07037	1.4
168.05789	0.5
173.05981	0.6
177.05466	0.8
179.07066	0.8
181.06531	1.5
183.08031	1.9
186.16862	0.6
196.05145	0.6
197.06061	0.8
199.07652	0.4
201.05469	0.7
207.04614	0.4
211.07538	1.8
212.08395	0.4
213.09167	0.9
215.10603	0.5
221.06023	0.5
225.09160	0.9
229.04973	2.0
239.07092	0.6
241.08698	0.8
243.10262	1.1
253.08659	0.9
257.04465	1.3
271.09702	2.4
272.10782	0.4
273.11142	0.6
274.04767	0.5
285.04041	0.6
285.07675	0.4
285.11264	0.9
288.10004	0.9
303.05081	21.7
303.08676	3.0
303.12546	2.3
324.09818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32670	1.5
55.01871	3.4
56.96566	24.0
57.03436	7.1
61.02931	14.5
67.05497	1.9
69.03429	15.1
69.53200	10.8
70.06590	6.1
70.98138	3.1
71.05009	2.8
71.95252	3.2
72.08157	4.6
73.02923	10.1
81.03423	7.3
83.06126	5.1
84.04526	3.4
84.08151	19.0
84.11631	1.5
84.96043	4.8
85.02910	35.8
86.09716	13.8
87.04476	2.1
87.05606	2.4
90.01579	2.0
91.03971	3.0
93.04541	3.0
95.04981	2.2
97.02921	13.2
98.20821	1.8
98.97592	100.0
99.04444	3.3
109.02870	5.6
110.01298	5.5
110.07175	35.7
110.97577	12.2
112.99131	3.1
113.02407	2.1
115.03879	1.5
116.07146	1.8
116.98626	27.9
119.01823	13.6
124.21918	1.4
124.95476	1.9
127.03922	11.0
128.02301	13.2
128.98598	8.6
129.10252	4.7
130.08684	2.1
132.02478	2.0
133.06099	9.7
133.23692	1.5
134.06041	2.9
134.99626	4.0
135.06404	2.9
137.02849	3.9
137.05980	4.3
138.06613	1.8
140.98569	2.2
141.05473	16.1
143.00160	6.7
143.01813	1.9
143.11803	4.9
144.98024	2.6
145.04987	5.3
146.99641	5.3
149.01385	2.0
151.29346	1.6
152.02251	1.9
152.07069	5.5
152.98596	2.0
153.07422	7.4
156.03380	1.6
156.07664	2.1
156.98138	2.9
158.99670	37.9
161.01219	3.6
161.02882	2.6
161.04594	2.0
162.01811	2.6
165.07486	2.7
168.01736	3.0
170.03407	1.8
170.96019	2.2
170.99678	6.4
171.11348	3.2
172.94389	2.0
172.97690	2.6
173.01295	2.2
173.02910	2.3
174.01828	3.5
174.99243	2.1
177.00739	23.5
177.05450	2.0
182.03445	3.1
182.96385	1.9
183.02310	10.3
184.97610	3.1
186.04417	2.6
186.99144	2.5
187.04709	3.0
189.00703	6.6
191.03899	5.7
193.00134	2.0
200.04443	6.9
201.00729	8.3
202.98643	2.1
204.02856	16.0
205.00244	2.4
205.05800	2.6
211.55325	2.0
212.97108	2.4
213.03398	31.2
213.53549	2.4
213.85928	1.7
219.01793	19.5
222.03864	9.8
228.05724	2.8
230.98093	3.9
237.02724	9.2
243.01868	1.7
244.99738	2.2
247.01485	1.7
255.04175	2.8
257.14090	2.5
258.98038	2.0
261.02805	2.5
263.00797	2.7
264.05194	2.4
274.09381	4.9
285.04764	3.6
285.13214	2.5
286.09424	2.1
294.06125	3.8
303.08115	11.4
303.11331	4.8
303.14795	2.9
321.08472	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	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
54.59290	0.1
55.01858	0.3
62.73650	0.1
64.90522	0.1
65.03934	0.5
67.01871	0.2
67.05502	0.2
68.99445	0.1
68.99791	1.8
69.03429	0.2
69.79287	0.1
69.92603	0.3
69.92986	0.2
70.16786	0.1
81.01694	0.1
81.03419	0.6
86.48878	0.1
89.91769	0.1
93.03402	0.4
95.04973	0.6
102.43835	0.1
105.03392	0.2
107.01380	0.1
107.04945	0.1
109.02892	1.0
111.00805	1.8
111.04434	0.1
111.10488	0.1
117.07014	0.3
119.96651	0.1
121.02878	1.5
123.04439	0.5
127.03914	0.4
131.04924	0.4
133.02855	0.2
135.04456	0.5
137.02354	6.2
137.03413	0.5
143.04897	0.1
145.02780	0.1
145.06502	0.7
149.02373	0.8
151.03984	0.1
153.01834	8.9
155.04921	0.8
157.06531	0.2
159.04379	0.3
159.51985	0.1
161.05959	0.5
163.03926	1.0
165.01839	3.5
166.02673	0.6
173.05994	1.1
177.01762	0.2
177.05464	0.1
179.03418	0.3
183.02888	1.2
183.04414	0.7
185.06044	0.1
187.03911	0.8
191.03427	0.3
191.07034	0.2
193.04866	0.1
195.02931	0.4
201.05482	4.2
203.03622	0.1
205.04990	0.4
207.02930	0.2
211.03853	0.1
213.05510	0.3
215.03413	0.2
219.02936	0.3
219.06570	0.5
228.04318	0.7
229.04974	8.4
233.04437	0.1
239.03496	0.5
245.04398	0.1
246.05342	0.2
247.05997	1.3
257.04462	4.5
261.04224	0.1
274.04761	1.3
275.05478	0.4
285.03946	2.0
303.04993	100.0
304.05371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0503
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01879	0.3
55.05486	0.2
58.68658	0.2
65.03935	0.8
67.01876	0.2
67.05492	0.4
68.99800	1.5
69.03447	0.3
69.07079	0.5
70.62807	0.3
70.63123	0.4
74.67612	0.2
76.19897	0.2
79.05501	0.5
81.03420	0.6
81.07054	0.6
83.04966	0.2
86.09705	0.8
91.05482	0.5
92.05003	0.4
93.03416	0.6
93.07036	0.6
94.87738	0.3
95.04964	0.7
95.08621	0.5
97.06513	0.5
103.05480	0.4
105.07049	0.7
107.04950	0.3
107.08623	0.3
109.02888	1.1
109.10132	0.3
111.00811	1.8
111.04447	0.2
115.05461	0.2
117.07044	0.3
119.04958	0.3
119.08581	0.5
120.08123	6.0
121.02893	1.9
121.06530	0.3
123.04440	0.7
127.03914	0.3
128.06187	0.2
128.10844	0.2
128.40921	0.2
128.85042	0.2
129.07004	0.2
131.04947	0.4
133.10127	0.3
135.04399	0.4
137.02368	6.2
137.03416	0.5
137.05988	2.6
138.05524	2.2
138.09146	0.9
145.06488	0.7
147.11678	0.3
148.03938	0.4
149.02347	0.6
149.05968	0.2
151.03984	0.3
151.11118	0.2
153.01843	9.2
155.04927	0.7
155.06047	0.3
157.10204	0.3
159.11757	0.4
161.06023	0.9
161.13326	0.2
161.34828	0.2
163.03938	0.9
163.07648	0.3
165.01862	3.3
166.02771	0.4
166.05017	3.6
168.01811	0.2
173.05965	1.2
177.05537	0.2
179.03317	0.3
183.02895	1.4
183.04442	0.8
187.03929	0.8
195.02907	0.6
201.05475	3.7
205.04993	0.4
211.03978	0.3
211.07552	0.4
211.12650	0.2
212.10709	0.3
213.05516	0.2
214.12360	0.4
219.02948	0.3
219.06581	0.4
228.04248	0.7
229.04996	8.3
229.13486	0.3
230.11795	0.3
232.13414	0.3
242.11896	0.4
247.06015	0.9
253.14380	0.2
256.08493	0.5
257.04474	4.5
257.08841	0.3
257.12878	1.0
259.12543	0.2
267.11362	0.3
272.11557	1.3
274.04782	1.5
274.09506	0.8
275.05490	0.3
275.13879	0.4
285.03958	2.1
285.12396	2.6
285.15311	0.4
303.05032	100.0
303.13263	11.9
304.05334	0.8
308.05032	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01875	0.4
63.45127	0.2
65.03937	0.5
67.05479	0.3
68.99792	2.0
69.79019	0.5
69.79432	0.7
81.03407	0.6
93.03420	0.2
95.04961	0.7
99.19547	0.2
103.05387	0.2
109.02888	0.9
111.00787	1.5
111.51156	0.3
121.02876	1.4
123.04453	0.6
127.03891	0.4
131.04958	0.3
134.18971	0.3
135.04404	0.5
137.02353	6.6
137.03413	0.5
145.02892	0.3
145.06493	0.5
149.02319	0.9
149.42091	0.2
153.01837	9.2
155.04839	0.5
161.05992	0.6
163.03925	1.0
165.01834	3.3
166.02605	0.3
173.06018	1.2
179.03346	0.3
183.02899	1.3
183.04459	1.1
187.03925	0.7
195.02893	0.3
201.05466	3.7
205.04970	0.4
219.06523	0.4
228.04289	0.6
229.04977	8.3
239.03406	0.5
247.06042	1.2
257.04443	4.3
274.04776	1.2
275.05466	0.3
285.03922	2.4
293.50137	0.2
303.05005	100.0
304.05383	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
54.22881	0.1
55.01873	0.2
58.45348	0.1
58.85137	0.1
63.18520	0.1
63.92449	0.1
64.69430	0.1
65.03931	0.6
67.01883	0.3
67.05499	0.2
68.99799	1.9
69.45360	0.1
69.58050	1.0
71.84180	0.1
79.23130	0.1
81.03413	0.4
93.03441	0.8
95.04978	0.4
96.09323	0.1
105.03385	0.2
107.04961	0.2
109.02884	1.1
111.00813	1.7
115.05436	0.2
117.07020	0.3
117.39417	0.1
119.04912	0.2
121.02885	1.9
123.04424	0.5
123.91254	0.1
127.03893	0.3
128.06180	0.1
131.04919	0.3
133.06584	0.2
135.04439	0.5
137.02365	6.9
137.03416	0.6
145.06474	0.7
149.02377	0.6
153.01836	9.5
155.04912	1.1
159.04478	0.2
161.05948	0.6
163.03940	1.2
165.01857	3.2
166.02626	0.5
168.97682	0.2
173.06012	1.4
177.05469	0.2
179.03404	0.3
183.02901	1.5
183.04459	1.1
187.03934	1.0
191.03448	0.4
191.07179	0.1
195.02919	0.5
201.05482	4.2
205.04947	0.4
207.02898	0.3
211.03888	0.3
213.05519	0.2
215.03368	0.3
219.02888	0.2
219.06525	0.6
228.04225	0.6
229.04974	8.8
232.03781	0.2
239.03323	0.4
245.04501	0.2
246.05235	0.2
247.06041	1.4
257.04480	4.3
274.04712	1.5
275.05475	0.3
285.04001	2.0
303.05014	100.0
304.05353	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.1
55.01868	0.3
65.03935	0.5
66.97154	0.1
67.01859	0.3
67.05494	0.2
68.99793	1.8
69.03405	0.1
69.61996	0.6
71.01380	0.1
80.06525	0.1
81.03431	0.6
82.61367	0.1
93.03426	0.7
95.05000	0.5
95.10401	0.1
103.05496	0.2
105.03411	0.2
107.04947	0.2
108.00153	0.1
109.02873	0.9
111.00814	1.7
117.07034	0.2
119.50042	0.1
121.02879	2.0
123.04416	0.5
127.03927	0.3
127.05517	0.1
131.04922	0.3
131.42053	0.1
133.02824	0.1
133.06494	0.1
135.04420	0.4
137.02356	6.5
137.03419	0.5
137.05916	0.1
145.02907	0.2
145.06496	0.6
147.04358	0.1
149.02357	0.9
151.03947	0.1
153.01836	8.9
155.04916	0.8
155.06053	0.2
157.06459	0.1
159.04488	0.3
161.06033	0.6
163.03920	1.1
165.01854	4.0
166.02673	0.4
171.02892	0.2
171.12564	0.1
173.06026	1.4
177.01881	0.2
177.05470	0.2
179.03389	0.4
183.02895	1.3
183.04446	0.9
187.03928	0.8
191.03392	0.3
191.07040	0.2
195.02881	0.4
200.04723	0.1
201.05481	4.2
203.03285	0.1
205.04945	0.4
207.02847	0.2
211.03928	0.4
213.05481	0.3
215.03340	0.3
219.03061	0.2
219.06580	0.5
228.04259	0.6
229.04971	8.6
230.05414	0.1
232.03680	0.1
239.03461	0.4
245.04405	0.2
247.06026	1.1
257.04456	4.7
274.04755	1.4
275.05557	0.3
285.03958	2.6
303.05002	100.0
304.05362	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.01873	0.3
59.78394	0.1
60.54374	0.1
65.03939	0.4
67.01868	0.2
68.99800	1.7
69.03409	0.2
70.92067	0.2
81.03407	0.6
93.03388	0.4
95.04989	0.7
105.07034	0.2
106.21665	0.2
107.04936	0.2
109.02899	0.9
109.61631	0.1
111.00818	1.6
111.04480	0.2
115.05446	0.2
117.07031	0.3
119.04960	0.2
121.02888	2.1
123.04425	0.6
126.33839	0.1
127.03933	0.3
131.04916	0.3
133.06474	0.2
135.04431	0.5
137.02362	6.3
137.03410	0.5
145.02844	0.2
145.06499	0.6
149.02301	0.9
153.01846	8.4
155.04919	0.7
157.06444	0.2
161.06030	0.5
163.03891	1.0
165.01854	3.9
166.02667	0.4
173.06047	1.4
177.05457	0.3
179.03419	0.3
183.02917	1.5
183.04451	0.8
187.03941	1.0
191.03334	0.3
195.02927	0.6
201.05479	3.9
205.05026	0.5
207.02792	0.2
211.03931	0.3
213.05527	0.4
215.03564	0.2
219.02998	0.2
219.06451	0.3
223.08133	0.2
228.04301	0.5
229.04977	8.2
239.03430	0.5
247.05978	1.1
257.04489	5.0
261.03659	0.2
274.04776	1.5
275.05566	0.3
285.03943	2.3
286.04578	0.2
303.05017	100.0
304.05325	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.1
55.01872	0.3
65.03937	0.4
66.18764	0.1
67.01865	0.3
67.05491	0.2
67.05835	0.1
68.99448	0.1
68.99798	1.8
69.03423	0.1
69.30832	0.1
69.67686	0.1
69.68088	0.3
81.03409	0.5
82.92515	0.1
91.05498	0.2
93.03423	0.5
94.10607	0.1
95.04981	0.6
98.21458	0.2
103.05462	0.1
105.03381	0.1
107.04946	0.1
109.02892	0.9
110.03674	0.1
111.00814	1.9
111.04464	0.2
115.05431	0.2
117.06976	0.2
121.02875	2.1
123.04440	0.6
127.03915	0.3
129.07004	0.1
131.04906	0.3
133.02835	0.1
133.06438	0.1
135.04446	0.6
137.02354	6.6
137.03404	0.4
137.05952	0.2
143.04964	0.1
145.02843	0.3
145.06476	0.6
147.04474	0.1
149.02373	0.7
153.01839	8.8
155.04921	1.0
155.06094	0.2
157.06505	0.2
159.04385	0.3
161.05986	0.5
163.03917	1.2
165.01849	3.5
166.02626	0.6
167.03317	0.1
171.03032	0.1
173.02451	0.1
173.05992	1.2
177.01839	0.2
177.05457	0.2
179.03397	0.3
183.02898	1.4
183.04449	0.8
187.03917	0.8
191.03436	0.3
191.06966	0.2
195.02873	0.4
201.05479	4.0
205.04990	0.4
207.02901	0.2
211.03951	0.3
213.05515	0.2
215.03430	0.2
218.05803	0.1
219.02913	0.3
219.06516	0.4
228.04291	0.5
229.04974	8.4
230.05467	0.1
232.03745	0.1
239.03381	0.3
245.04507	0.1
246.05399	0.1
247.06010	1.1
257.04474	4.9
267.02933	0.1
274.04761	1.3
275.05466	0.4
285.00827	0.2
285.03995	2.4
286.04605	0.1
303.05005	100.0
304.05374	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2481
Annotation	(E,E,E)-N-(2-Methylproyl)hexadeca-2,6,8-trien-10-ynamide
Peak:m/z	Relative Intensity
51.73700	0.9
52.53732	0.8
53.57702	0.8
55.01870	1.1
55.05501	4.0
57.07078	20.8
64.59217	0.9
67.05508	13.2
69.07058	4.5
70.06590	2.0
71.08617	1.3
72.08147	2.5
74.09724	7.8
79.05490	18.5
81.03458	0.9
81.06652	1.3
81.07063	15.6
83.08632	2.5
86.57345	0.9
91.05487	18.6
91.39520	1.0
92.44055	1.2
93.07056	19.8
95.04960	1.0
95.08616	12.6
105.07034	13.8
106.08651	1.7
107.08608	12.0
109.06509	1.5
109.10149	7.2
114.95049	1.2
117.07018	3.4
119.08582	17.8
121.10145	33.5
123.11696	1.0
124.53331	1.0
129.07040	1.4
131.08563	10.5
133.10150	16.4
133.11116	1.8
135.11717	7.8
136.01842	0.9
142.12144	1.0
143.08589	1.3
145.10130	10.4
147.08029	2.0
147.11703	8.9
153.48073	1.3
154.12207	1.5
155.08621	1.3
159.11726	6.4
161.13252	12.6
162.76105	0.9
164.91304	1.1
173.13239	2.5
175.14786	1.3
185.13271	1.5
187.14832	14.6
194.15352	1.5
201.16388	16.1
203.17973	26.6
220.16982	3.4
229.15836	7.6
234.18602	2.1
302.07401	2.5
302.24802	100.0
302.30005	11.7
303.05014	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	303.0416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	1.5
57.26339	0.2
61.67474	0.2
69.68695	0.5
69.69086	0.6
71.95264	0.4
95.99316	0.3
98.97594	14.3
99.97895	0.8
100.97198	0.7
100.97922	0.2
101.00896	3.0
101.97223	0.2
102.96868	0.9
116.98635	6.3
117.98958	0.5
119.01936	3.9
120.97915	0.4
124.22430	0.3
134.99738	1.3
140.98849	0.6
158.99855	1.6
172.94347	0.4
174.97559	0.3
177.00967	8.9
182.99951	0.8
190.95386	0.4
201.00928	3.2
205.43515	0.3
208.89772	0.2
214.95490	0.2
217.04120	2.3
219.02028	16.9
220.02173	0.6
221.01843	0.3
225.00835	2.3
234.99770	0.4
242.98656	0.5
242.99269	0.4
243.02003	11.6
244.02232	0.6
260.99896	4.0
261.03079	100.0
261.97174	0.4
262.00012	1.2
262.03229	5.1
263.03073	0.4
266.03650	0.3
267.73483	0.2
278.97357	0.5
279.00601	4.9
279.98071	2.1
280.01004	1.8
282.99847	0.3
284.04730	2.0
284.99896	1.9
296.97864	0.3
297.98581	0.3
301.01028	0.3
302.97388	0.4
303.00839	1.9
303.04422	2.6
320.97955	0.4
321.01538	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.01876	2.6
55.05516	17.8
56.05032	0.5
57.03455	0.8
57.05807	0.6
57.07076	0.8
58.06606	0.5
62.63420	0.4
65.03957	1.3
67.05510	42.2
69.03436	1.7
69.07070	12.2
69.28066	0.4
69.28353	4.0
70.06596	3.2
71.07379	0.5
72.08160	71.4
73.02925	0.5
75.05611	0.8
79.05499	28.4
81.03425	6.1
81.07063	45.4
83.04986	4.7
83.08624	6.1
85.06553	2.2
86.09713	10.4
86.40640	0.4
90.09200	1.6
91.05479	10.8
91.06019	0.8
93.07050	43.6
94.06536	0.5
95.04976	7.3
95.08613	28.8
97.06531	2.7
97.10151	0.7
98.06068	2.2
99.04490	0.7
99.08074	0.6
103.05477	0.6
105.04536	0.8
105.07034	4.7
107.04971	4.9
107.08600	29.6
108.08929	0.7
109.06512	2.7
109.10163	17.5
111.04465	1.0
111.08089	3.4
112.07609	0.8
113.09685	0.5
117.07030	5.6
119.08601	3.4
121.06516	4.5
121.10146	10.2
123.08102	0.7
123.11744	0.6
131.08569	4.9
132.10239	1.4
133.10130	5.9
135.08064	2.4
135.11691	12.0
139.07544	1.2
139.09973	0.9
140.10733	1.0
143.11810	7.1
144.09290	0.5
147.04521	0.4
147.11696	0.6
148.49348	0.4
149.09621	0.7
149.13269	37.4
149.28419	0.5
151.11182	0.6
151.14804	0.6
152.10759	1.1
157.08611	0.8
159.11691	6.1
164.91620	0.5
171.11374	2.0
177.12773	9.1
195.13832	2.0
226.12199	0.5
248.20113	50.3
266.18942	1.0
266.21170	66.7
284.22214	100.0
285.22568	0.7
302.23282	22.1
303.04990	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.6
55.05513	4.8
56.05047	1.0
57.03437	0.9
57.05826	0.9
58.06612	0.8
61.02928	1.1
67.05508	1.4
69.03440	1.9
69.07083	2.4
70.06596	6.7
71.05004	1.2
71.51698	0.8
72.08163	100.0
73.02923	0.7
79.05495	0.8
81.03431	1.4
81.07081	1.5
82.06601	1.6
84.04526	1.0
84.08157	4.2
85.02914	13.7
86.09716	31.5
87.10020	0.6
89.56404	0.6
91.05505	1.6
95.04981	1.4
97.02902	6.9
97.06528	1.0
100.07641	1.4
103.03984	0.9
107.04982	1.7
108.05288	1.3
108.08138	1.7
109.02865	2.9
110.06026	1.0
112.07631	1.2
112.11274	0.7
118.08688	0.9
122.06018	0.7
125.06016	1.1
126.05544	1.3
126.09229	0.6
127.03934	3.0
128.07088	14.0
128.07956	1.0
129.10243	2.9
130.06540	37.0
132.08109	1.5
132.10226	7.4
134.06058	1.5
136.07628	2.7
137.05991	2.1
140.07086	6.4
140.08092	0.8
142.08717	1.8
143.11812	66.9
145.05017	1.7
146.05968	0.6
150.09142	0.6
151.03888	0.8
152.04301	1.2
152.07094	5.3
153.06940	0.6
154.08582	1.0
155.08226	2.3
157.13379	9.6
159.09242	0.8
164.07115	3.6
170.06061	1.7
171.11305	40.9
178.08672	3.0
182.08162	15.2
185.12872	5.5
188.09258	1.5
203.13997	1.8
206.08165	6.8
214.18016	5.1
231.17050	3.4
248.09087	1.3
267.08240	0.6
271.12360	0.7
273.09210	1.5
284.13986	6.1
285.12238	0.8
285.25473	1.9
302.08020	0.7
302.11584	1.4
302.16055	8.5
302.28183	2.6
303.05161	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1966
Annotation	3-hydroxy-cis-5-octenoylcarnitine
Peak:m/z	Relative Intensity
55.01843	0.4
55.05519	5.1
56.96558	0.7
57.03425	0.6
57.07077	0.6
60.04533	53.4
63.95217	0.4
65.36095	0.4
67.05514	7.0
69.03435	0.5
69.07072	4.4
69.74264	2.0
70.00529	0.4
70.02955	1.3
70.06597	1.3
71.05002	4.0
72.08153	0.8
73.06539	0.5
73.34445	0.4
79.05496	3.8
81.07068	14.8
83.04986	0.9
83.08636	3.0
85.06537	2.2
88.04005	18.1
88.04555	0.9
91.05499	4.6
93.07043	3.8
94.11983	0.4
95.04974	0.7
95.08619	14.5
97.06544	3.7
97.10189	0.8
99.08114	0.9
105.07063	3.9
106.05042	100.0
107.08609	1.9
109.10159	1.2
109.85828	0.5
111.08101	0.9
112.07626	0.9
119.04977	0.5
119.08603	5.4
121.10162	0.6
123.08045	0.5
124.99127	0.5
133.10164	2.7
135.11731	1.6
137.02344	0.6
137.06049	0.7
137.09650	0.6
137.13274	1.1
153.01831	0.8
157.15082	0.5
161.13277	8.1
161.14626	0.5
176.07089	1.0
176.10742	1.6
179.14343	5.9
197.15430	0.5
201.05359	0.4
203.71526	0.4
204.10170	0.9
205.10925	0.5
214.18073	0.9
220.16971	0.5
229.04970	1.1
238.18050	1.7
252.06609	0.8
259.09766	0.6
260.10339	0.5
266.17563	3.0
267.04108	0.7
272.18484	0.9
284.06485	0.6
284.18582	14.5
302.11230	2.4
302.17545	3.0
302.20029	1.9
302.27975	0.5
303.05032	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	302.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59094	0.4
53.03941	0.6
55.05513	8.5
56.05042	0.4
57.07079	0.5
67.05515	0.7
69.07074	0.6
70.06602	0.5
71.08122	0.3
71.52995	0.6
74.06095	0.8
76.56149	0.3
79.05472	0.4
81.07076	0.9
83.04986	100.0
84.05326	0.7
88.07652	3.5
91.05495	0.6
95.04939	0.7
107.04964	1.4
107.08578	0.6
109.06553	1.3
109.10207	0.8
133.80453	0.3
135.06807	0.5
137.06049	0.4
144.05766	0.4
151.11206	1.4
152.07069	0.7
159.08072	1.5
193.88144	0.3
204.10193	4.1
211.71562	0.4
214.18283	0.4
231.24763	0.4
242.24889	0.9
268.14664	0.3
294.49466	0.4
302.17755	0.6
302.27011	4.9
302.30637	2.0
303.05096	1.8
303.10159	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21404	4.7
55.05516	41.4
57.03430	5.1
57.07077	9.4
67.05193	4.3
67.05515	64.0
67.51923	4.6
69.03440	6.4
69.07081	44.2
69.69529	30.7
70.06600	5.2
71.04993	15.6
72.08162	8.0
79.05487	20.8
81.07069	89.7
83.04989	5.9
83.08615	9.7
84.08142	5.5
91.05480	25.8
93.07050	35.7
94.87853	4.2
95.04966	20.9
95.08627	42.0
97.10179	49.4
105.07047	32.8
107.04956	15.3
107.08600	29.9
109.06525	27.8
109.09470	9.6
109.10159	100.0
115.05449	5.4
119.04993	6.6
119.08560	17.8
121.06498	9.9
121.10150	14.2
123.08121	23.0
123.11721	39.1
125.09602	6.1
130.06523	5.2
131.04944	24.4
133.06496	18.5
133.10121	38.0
134.10909	8.5
141.06973	5.4
142.07784	5.7
144.05695	6.0
145.06445	7.4
147.04346	6.4
147.06818	7.9
147.08051	14.5
148.05220	10.9
151.11200	43.6
153.01746	5.2
157.06433	8.0
158.07263	20.0
159.06856	6.3
161.06003	8.5
164.07066	9.5
169.06491	8.8
170.07262	10.4
171.08078	12.3
172.08865	8.0
175.07538	40.7
176.07072	9.9
178.08649	32.3
180.06522	13.1
182.07314	18.7
183.08052	21.2
184.08894	11.6
185.09676	8.0
188.07133	9.3
197.09634	47.8
199.11140	6.0
201.09085	15.2
202.08661	28.0
206.08118	21.7
209.09694	11.9
211.11200	11.3
214.18045	14.0
215.10750	12.1
215.13002	4.6
216.10204	12.7
220.09752	27.3
224.12038	6.5
228.10252	23.7
239.14349	13.7
242.11693	12.7
246.11317	6.2
251.14220	5.4
257.15408	23.6
269.15271	12.2
284.16516	43.9
285.25464	5.0
302.07379	8.6
302.17535	34.9
302.24747	11.8
302.27826	8.2
303.05051	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	3.2
53.03949	3.6
55.05513	25.0
57.07064	4.8
58.02942	3.4
59.04987	3.4
65.03940	3.2
67.05182	4.8
67.05511	66.4
69.03413	5.8
69.07071	43.3
70.06599	4.2
71.05005	16.4
71.52538	3.5
72.08129	4.9
79.05497	26.4
81.07064	100.0
83.04999	5.8
83.08620	4.0
85.06521	2.6
91.05494	26.4
93.07056	25.3
95.04972	30.7
95.08620	48.7
97.06513	4.2
97.10169	24.1
105.07027	31.0
106.06527	5.0
107.04964	21.5
107.08598	25.0
109.06517	33.9
109.10164	88.2
117.05810	3.4
117.07016	3.7
118.06526	6.2
119.04981	6.7
119.08588	11.7
120.05742	3.4
121.06519	12.9
121.10127	10.7
123.08072	5.4
123.11717	39.3
125.09615	3.2
129.07028	6.3
129.09004	3.3
130.06522	4.4
131.04953	23.8
131.08601	4.5
133.06476	8.7
133.10133	39.8
134.10901	12.9
137.05966	4.4
142.07738	3.4
144.05719	12.4
145.06514	8.9
146.06013	9.3
146.07214	3.4
147.06808	6.0
147.08052	8.3
148.05223	5.2
151.11189	25.6
152.07074	10.5
157.06537	4.3
158.06078	2.7
158.07245	12.0
159.06789	11.9
159.08055	9.1
161.06017	9.4
164.07112	19.8
165.78099	3.2
169.06500	10.0
170.07326	20.0
171.08040	4.2
172.08881	6.9
173.09703	5.6
175.07574	47.5
176.07079	20.4
178.04991	2.7
178.08662	21.6
179.08435	3.4
182.07306	3.3
183.08066	25.0
184.08908	9.7
185.09686	6.1
187.11227	5.3
188.07114	10.0
190.08653	5.7
196.08913	3.3
197.09666	17.1
199.11282	4.0
201.09052	9.2
202.08635	37.1
204.10277	4.2
206.08194	15.1
209.09587	8.0
210.09151	7.6
211.11327	7.2
214.18053	6.4
215.10735	3.7
216.10216	12.2
220.09702	43.9
224.10608	3.7
225.12875	4.8
226.13606	10.5
228.10217	26.4
239.14319	6.6
240.15134	4.3
242.11745	17.5
244.13242	3.3
246.11298	21.3
251.14278	3.8
256.11615	12.0
256.14194	3.1
257.15369	20.1
269.15308	9.4
284.16470	50.8
285.25439	3.0
302.17706	28.9
302.21347	4.1
302.27426	3.5
303.05011	24.1
316.92740	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
53.23178	2.5
55.05518	17.0
57.07079	5.9
58.02958	7.1
59.05016	6.2
60.31119	2.5
67.05508	24.0
69.07074	100.0
70.06593	4.1
71.52605	2.8
72.08153	11.0
79.05495	16.4
81.07063	73.8
83.04988	22.6
86.09711	2.7
91.05502	13.5
93.07068	13.8
95.04981	27.8
95.08618	14.6
97.06529	11.0
105.07025	11.7
106.06582	3.5
107.04958	34.2
107.08614	19.0
109.06544	24.3
109.10164	28.8
118.06512	2.7
119.08575	4.4
120.05711	2.8
121.06528	2.6
121.10149	11.5
123.11723	44.3
131.04944	7.9
133.10168	12.5
134.06038	8.7
135.06810	26.5
145.06491	4.0
151.11191	49.1
152.07076	50.6
152.11938	5.0
157.06436	3.6
158.07298	3.0
164.07104	4.9
169.06546	2.9
170.07268	5.9
175.07593	4.3
176.07124	6.5
183.08136	3.2
183.11734	5.3
187.11121	3.9
201.09140	3.4
214.18120	6.7
220.09615	3.9
225.12903	4.9
228.10193	4.4
229.05057	2.7
229.76582	2.7
243.14032	2.6
246.11404	8.3
251.14404	4.3
257.15421	15.7
269.15411	3.4
269.31992	2.9
285.25366	5.6
302.07053	3.5
302.14474	3.7
302.17722	18.8
302.21097	3.8
302.27856	3.9
303.04932	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	302.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03853	2.7
53.03946	6.0
55.05516	21.9
57.07082	3.9
59.05002	4.0
65.03933	4.4
67.05513	55.9
69.03428	6.2
69.07079	58.5
70.06597	10.3
71.04988	15.4
71.28951	2.7
71.52461	5.1
72.08168	8.9
79.05502	25.7
81.07067	100.0
83.04980	10.6
83.08635	4.4
84.08168	4.2
85.02901	4.9
86.09720	5.1
89.41508	2.8
91.05485	20.0
93.07056	29.1
95.04977	31.5
95.08618	44.1
97.06546	4.4
97.10193	16.2
103.05443	3.2
105.04503	3.4
105.07036	28.2
106.06585	4.0
107.04965	34.0
107.08604	22.1
109.02879	2.9
109.06551	28.2
109.10171	73.1
115.05483	3.1
117.07018	4.2
118.06565	5.0
119.04944	6.3
119.08591	13.7
120.05723	3.6
121.02892	5.0
121.06505	10.4
121.10211	7.3
123.11729	52.4
127.18251	3.1
129.06963	3.6
131.04936	23.6
131.08623	5.4
132.10196	2.6
133.06491	7.7
133.10153	33.4
134.10901	9.0
135.06828	6.2
137.02330	5.8
137.05949	7.9
141.01241	2.9
144.05699	6.2
145.06516	11.5
146.06024	9.5
146.07230	3.6
147.08052	9.0
149.09555	3.2
151.03935	5.0
151.07477	3.1
151.11214	26.3
152.07051	14.5
153.01863	4.4
155.04880	3.8
155.08522	4.8
157.06464	3.8
158.07239	4.1
159.06850	7.3
159.08104	6.0
160.07599	3.2
161.06039	6.1
161.08350	3.7
164.07072	13.8
169.06485	5.8
169.10176	4.7
170.07300	18.7
171.08124	5.1
172.08859	3.4
173.09726	4.1
175.07559	33.5
176.07118	13.7
178.08749	15.5
179.08698	2.9
181.06622	3.2
182.07079	7.2
183.08066	22.5
184.08862	7.4
188.07080	5.6
195.08022	3.8
196.08904	3.7
197.09654	17.2
199.07185	3.3
201.05603	3.1
201.09134	9.9
202.08684	21.6
204.10275	4.6
206.08179	8.4
209.09592	4.3
211.11427	14.0
214.18066	9.6
215.10698	2.9
216.10269	8.2
220.09697	34.3
226.13562	7.4
228.10310	18.9
229.05064	4.0
234.98993	3.1
239.14523	5.9
242.11824	12.7
244.13327	4.7
246.11165	16.2
251.14322	3.7
257.15366	15.7
267.16257	4.5
269.15402	12.1
284.16483	40.5
285.25397	4.0
285.93188	2.8
302.11301	15.3
302.14255	3.7
302.17587	20.9
302.21289	6.4
302.27863	6.6
303.05060	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.05516	10.7
56.05046	2.1
56.49813	0.3
57.07075	1.9
60.75473	0.3
62.93298	0.3
70.30343	0.9
70.30697	0.5
71.08630	0.5
74.06087	4.7
81.07058	1.1
83.04987	100.0
88.07639	15.6
88.12394	0.3
98.20869	0.4
105.06937	0.4
107.04949	0.7
109.06532	0.7
116.07113	1.0
123.11768	0.4
134.08157	1.1
145.26971	0.3
146.07173	0.3
151.11198	0.9
204.10156	2.1
214.17926	0.4
219.54561	0.4
242.24800	4.8
284.25833	0.6
293.10251	0.4
302.26935	23.0
302.30356	1.2
303.04852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01868	3.3
55.05515	27.6
57.03437	4.1
57.07062	7.7
58.02949	3.0
58.06617	3.2
58.46372	2.7
59.05013	4.0
63.76772	2.5
65.03956	5.4
67.05512	54.4
68.59886	2.6
69.03425	5.2
69.07072	56.9
70.06592	7.4
71.04996	13.1
71.05795	2.7
71.25636	5.5
72.08156	9.6
79.05499	23.8
81.03416	5.1
81.07063	100.0
83.04989	10.3
83.08616	3.7
85.02911	5.2
86.09745	3.4
89.83057	2.8
91.05488	22.7
93.07059	21.8
95.04987	29.6
95.08615	42.3
97.02920	4.1
97.06564	8.1
97.10182	19.8
105.07043	22.9
107.04967	30.3
107.08591	19.6
109.06526	29.8
109.10169	84.6
115.05491	3.7
117.05786	3.8
117.06997	5.0
118.06493	3.7
119.04955	4.8
119.08599	9.8
120.05759	4.5
121.02907	3.4
121.06527	13.8
121.10139	11.8
123.08089	3.3
123.11713	44.9
129.06911	4.1
130.06555	7.0
131.04941	22.9
131.08589	4.2
133.06537	6.8
133.10143	34.9
134.06021	4.2
134.10875	8.7
135.06796	8.1
135.07921	3.0
137.02322	5.0
137.05954	10.2
141.07031	4.5
144.05754	7.2
145.06491	12.3
146.06023	5.9
147.04457	3.9
147.06856	4.4
147.08067	9.5
149.43498	3.1
151.03963	4.9
151.11172	26.1
152.07071	17.9
152.11987	4.3
153.01854	7.3
158.06094	3.1
158.07272	8.3
159.06827	11.4
159.08090	9.6
161.05956	4.9
161.09660	3.8
164.07086	13.7
169.06477	10.9
170.07326	16.7
171.08025	5.1
172.08900	3.1
175.07578	41.0
176.07051	17.9
178.08701	19.3
181.10080	5.5
182.07034	4.5
183.08061	17.8
184.07445	3.3
184.08876	3.9
185.09682	4.8
187.11240	3.7
188.07040	6.4
189.09128	4.0
190.08528	4.5
194.07289	4.4
197.09642	18.5
201.05428	4.0
201.09039	7.8
202.08664	24.4
206.08192	8.8
208.08884	3.4
209.09657	8.1
210.09108	4.2
211.11363	5.3
214.18011	7.3
215.10654	4.3
216.10216	5.9
220.09741	39.0
226.13548	7.2
228.10190	28.7
229.04950	5.2
234.98947	3.4
239.14351	9.2
242.09308	3.3
242.11690	17.7
244.13371	3.9
246.11366	16.8
251.14357	5.5
257.15295	16.6
269.15405	13.0
284.16510	40.3
284.78812	3.1
284.88501	3.0
285.25488	3.7
293.13214	3.5
302.04126	4.8
302.07651	4.0
302.11108	14.7
302.17569	23.7
302.21207	5.9
302.27838	5.4
303.04996	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31362	0.9
53.03939	2.1
53.22405	0.8
55.05509	3.4
56.47876	0.8
57.07071	3.0
59.04993	1.0
65.03940	2.1
67.05188	1.7
67.05513	24.5
67.90061	1.0
69.03425	2.4
69.07067	3.2
69.84570	5.0
70.06583	1.4
71.05002	1.8
72.08148	2.6
78.36465	0.8
79.05502	7.9
81.07066	32.2
83.04984	1.3
84.08147	0.9
85.02902	1.2
87.01906	0.9
87.04445	1.4
91.05492	7.8
93.07059	14.3
95.04975	16.9
95.08618	13.4
97.06514	2.0
105.07050	10.2
107.04973	1.6
107.08611	36.6
109.06526	12.5
109.10169	15.7
119.08575	2.6
121.10150	12.1
123.07224	1.1
123.08086	18.2
123.10842	1.1
123.11726	20.4
131.04834	1.0
131.08574	1.4
133.10144	9.7
137.05963	2.1
146.30087	1.0
151.11201	100.0
152.07079	1.3
153.01852	1.1
164.06993	1.3
182.06870	0.9
201.05402	0.9
202.08705	1.2
214.18054	2.7
229.04985	1.4
244.84309	0.8
257.15359	1.4
284.16660	1.0
302.04138	1.2
302.07520	1.7
302.11066	3.6
302.17587	11.2
302.27802	3.0
303.05014	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	302.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22639	0.2
54.11259	0.2
57.07059	0.2
65.03938	0.3
69.07073	3.0
70.06605	2.3
70.80420	0.5
71.04995	0.3
75.80986	0.2
91.05492	4.2
97.27064	0.2
119.04954	16.7
121.06428	0.5
147.04422	100.0
148.04771	0.4
160.71794	0.2
164.07086	8.8
215.10692	7.0
232.13353	7.1
232.15129	0.2
250.30966	0.2
256.26581	0.3
302.07321	0.3
302.27225	0.4
302.30597	1.0
303.04834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1501
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
55.01860	1.8
67.05480	0.5
69.07085	0.9
70.06597	40.4
71.52064	0.7
71.52415	0.6
72.08159	2.6
79.05503	0.9
81.07061	0.8
84.08139	1.6
85.02911	0.9
86.09690	1.5
90.83074	0.5
91.05499	1.0
95.04955	0.6
97.06536	0.4
98.97559	0.5
107.04947	1.2
108.05432	0.5
112.07617	1.6
114.05538	21.1
115.05469	3.4
116.07101	19.8
117.05768	2.8
118.06554	2.0
125.07126	6.1
129.10234	0.7
130.06535	20.8
130.07507	1.2
132.08101	51.6
134.06050	1.0
136.07588	0.9
137.06020	0.9
140.07117	0.5
140.08159	0.6
142.06532	8.4
144.08098	16.5
152.07062	1.3
159.09189	100.0
160.07581	3.6
170.06021	24.0
171.07709	4.2
172.07603	3.9
182.06760	0.7
182.08192	0.7
185.09514	0.5
188.07150	1.2
214.18037	1.7
226.06389	0.6
226.82614	0.5
239.11884	1.0
243.11493	0.6
254.90837	0.5
257.12894	4.8
273.09076	0.8
285.12354	61.0
286.12595	0.8
302.11096	2.3
302.15027	10.8
302.28067	1.3
303.04926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31362	0.9
53.03939	2.1
53.22405	0.8
55.05509	3.4
56.47876	0.8
57.07071	3.0
59.04993	1.0
65.03940	2.1
67.05188	1.7
67.05513	24.5
67.90061	1.0
69.03425	2.4
69.07067	3.2
69.84570	5.0
70.06583	1.4
71.05002	1.8
72.08148	2.6
78.36465	0.8
79.05502	7.9
81.07066	32.2
83.04984	1.3
84.08147	0.9
85.02902	1.2
87.01906	0.9
87.04445	1.4
91.05492	7.8
93.07059	14.3
95.04975	16.9
95.08618	13.4
97.06514	2.0
105.07050	10.2
107.04973	1.6
107.08611	36.6
109.06526	12.5
109.10169	15.7
119.08575	2.6
121.10150	12.1
123.07224	1.1
123.08086	18.2
123.10842	1.1
123.11726	20.4
131.04834	1.0
131.08574	1.4
133.10144	9.7
137.05963	2.1
146.30087	1.0
151.11201	100.0
152.07079	1.3
153.01852	1.1
164.06993	1.3
182.06870	0.9
201.05402	0.9
202.08705	1.2
214.18054	2.7
229.04985	1.4
244.84309	0.8
257.15359	1.4
284.16660	1.0
302.04138	1.2
302.07520	1.7
302.11066	3.6
302.17587	11.2
302.27802	3.0
303.05014	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	302.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
54.03468	1.1
55.01863	0.9
56.54038	0.4
56.96305	0.4
56.96568	6.5
57.03434	1.6
61.02931	2.4
69.03433	5.1
70.06577	1.6
70.59260	1.0
70.59597	0.5
70.98135	0.5
71.04993	1.0
72.08153	0.6
73.02916	2.2
81.03415	1.9
81.04548	36.5
84.08154	3.1
84.96021	0.4
85.02443	0.6
85.02917	8.8
86.09713	1.5
87.04470	1.2
91.03926	0.6
95.06048	0.4
97.02895	4.0
97.99187	0.6
98.20874	0.5
98.97593	12.3
99.04477	0.9
100.99130	0.5
101.00897	0.8
102.96253	0.4
102.96864	2.5
109.02893	0.8
110.07179	1.9
110.97571	1.3
112.99146	0.6
116.07077	0.7
116.98633	3.4
119.01917	0.7
120.97910	1.0
122.06094	1.6
122.07163	26.9
124.07658	0.5
124.08689	0.9
124.99136	0.6
127.03922	2.2
128.02335	0.4
128.98599	1.3
130.08678	0.5
130.93327	0.8
131.00159	0.5
133.03448	0.4
134.06036	2.2
134.99712	0.7
136.07553	0.8
140.00159	0.4
140.08197	100.0
143.00220	0.6
145.04958	0.9
146.99599	1.0
150.51917	0.4
152.07077	4.6
154.01712	0.5
158.99709	1.1
161.02888	0.8
164.07069	1.0
170.04991	0.6
172.94391	1.2
173.02972	0.5
177.00746	1.2
178.04950	0.5
179.11766	1.0
186.04424	0.8
187.01001	0.5
190.95497	0.6
191.03969	0.5
196.04196	0.7
197.01085	0.5
204.05515	0.8
206.06995	0.9
208.73463	0.5
212.06961	0.6
214.03920	0.9
215.00435	0.6
219.01744	0.7
232.04944	0.5
232.96550	0.8
260.95874	1.3
261.02884	0.5
273.09091	3.2
278.96872	4.5
279.00522	1.1
279.09348	0.5
281.40958	0.4
285.09131	0.8
296.97943	1.7
297.06525	0.5
302.13513	89.8
303.13837	0.8
320.15741	1.1
321.10385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01861	3.1
55.05506	7.2
56.05026	2.7
57.03431	3.3
61.02922	6.6
61.40285	1.7
67.05508	6.8
67.47816	1.5
69.03439	14.7
69.07067	3.1
70.06587	6.1
70.86818	3.9
71.79682	1.7
72.08162	91.1
73.02895	2.6
73.65732	1.7
79.05505	4.8
81.03438	9.0
81.07060	4.2
82.06591	2.9
84.04510	2.3
84.08148	4.6
85.02912	91.6
86.09713	28.9
93.05764	2.6
94.06573	3.3
95.04988	4.9
97.02898	48.1
97.03526	2.7
98.06046	1.8
103.03934	7.4
108.08136	13.9
109.02889	13.9
110.06025	2.9
119.07435	1.7
122.06032	8.8
122.09685	2.3
125.05991	6.3
126.05527	8.8
126.09159	3.5
127.03918	17.8
128.07118	9.0
129.10251	5.7
130.06523	10.0
132.10213	5.5
136.07597	18.9
137.05992	4.0
140.07077	51.0
143.11807	67.1
145.04990	18.9
150.09152	5.8
152.07076	24.4
154.08667	4.9
157.13405	5.0
163.06041	5.6
164.07091	24.2
171.11304	39.5
178.08633	23.0
182.08148	100.0
185.12863	3.2
206.08162	43.6
214.18077	3.3
218.08180	5.0
231.16972	1.7
236.09282	6.1
248.09229	10.3
286.28970	2.0
302.16074	2.4
302.28049	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	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36765	0.9
53.03932	1.2
55.01868	1.2
55.05508	1.3
56.05029	1.1
57.03433	2.3
58.06604	4.5
61.02919	3.4
65.03936	3.0
67.05506	39.6
69.03077	1.5
69.03429	14.3
69.07081	5.7
70.06598	6.6
71.04978	1.0
71.53249	1.6
72.08158	2.2
72.31874	0.9
73.02905	2.5
79.05479	1.1
81.03407	4.3
81.07041	3.4
84.08150	6.6
85.02904	30.6
86.09710	3.9
88.03967	1.1
91.05489	1.2
93.07039	1.2
94.06575	15.6
95.04971	42.8
95.08600	1.4
97.02893	26.8
98.06038	1.2
99.04455	2.1
103.03939	3.2
107.04987	2.1
107.08582	1.2
109.02880	8.2
110.07149	2.4
112.07604	32.9
113.06004	4.5
116.07086	1.8
121.02902	1.1
121.06471	1.2
122.06032	67.3
123.04429	2.9
124.07540	2.2
127.03923	7.5
129.10208	2.4
134.06059	1.1
135.04369	1.2
136.07587	3.0
137.05962	2.7
140.07068	100.0
141.05594	1.3
145.04945	3.3
147.04471	1.9
147.56026	1.0
152.07016	1.9
154.08611	5.0
160.07579	2.8
163.03867	2.2
164.07056	1.2
167.01511	0.9
176.07082	1.3
178.08589	2.8
181.05043	1.2
182.08133	53.4
201.08810	1.0
206.08125	14.2
214.05574	1.1
218.08167	1.8
236.09129	1.9
248.09132	8.0
284.12552	1.5
284.18527	2.4
287.05139	1.8
302.07361	5.6
302.12863	2.9
303.13428	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97667	0.9
53.03938	1.7
55.01881	1.9
55.05508	1.6
55.63466	1.0
57.03434	3.7
60.04533	1.1
61.02917	3.9
65.03949	1.1
67.05508	6.1
69.03438	8.8
69.07080	2.2
69.15641	5.6
69.16066	4.2
69.62237	1.0
70.06602	6.1
71.04984	2.2
72.08165	37.8
73.02912	2.7
79.05508	4.6
81.03432	5.6
81.07075	4.6
82.06583	3.2
84.08137	3.3
85.02914	63.0
86.09715	11.4
91.05474	3.7
94.06541	2.1
95.04967	4.0
96.04521	1.0
97.02905	32.2
97.06535	2.0
98.06049	1.0
98.20713	1.9
99.04465	2.9
100.07600	1.8
103.03955	4.3
103.88513	1.0
105.07084	0.9
106.36748	0.9
107.04975	2.7
108.05261	1.0
108.08143	10.8
109.02897	8.4
109.06539	1.4
110.06020	1.7
110.52695	1.1
112.07594	1.6
113.07134	1.3
113.44531	0.9
122.06030	5.3
124.07535	1.1
125.06003	4.1
126.05541	5.9
126.09151	2.2
127.03927	11.8
128.07101	20.7
129.10274	1.9
130.06544	100.0
132.08101	3.7
132.10214	3.1
134.05989	1.9
136.07582	13.7
137.06038	1.2
140.07085	33.3
142.08638	2.1
143.11812	21.7
144.08081	1.1
145.04959	8.4
147.04417	1.2
150.09161	3.3
152.04272	2.8
152.07092	17.1
154.08672	5.2
155.08165	5.8
157.13382	2.0
159.09178	4.0
163.06097	2.1
164.07091	17.6
167.30794	1.2
170.06018	5.4
171.11337	13.4
172.02542	0.9
173.09251	3.0
178.08656	15.0
182.08151	76.6
185.12965	1.6
202.08675	1.2
206.08148	33.8
214.17990	3.2
218.08124	3.3
236.09186	3.0
248.09190	7.2
257.04572	1.6
273.08994	1.9
284.13968	13.0
285.11899	1.7
285.25522	1.6
302.11542	2.0
302.15619	11.6
302.27917	2.8
303.05032	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	301.2527
Annotation	Allylestrenol
Peak:m/z	Relative Intensity
51.73304	2.9
53.03938	4.4
55.05507	13.2
57.07063	9.4
67.05511	25.3
67.62755	2.7
69.03415	3.0
69.07074	34.7
70.98391	3.0
71.05009	4.7
71.53002	5.0
79.05510	15.1
81.07062	44.6
83.08620	10.5
91.05474	14.0
93.07052	55.8
95.04953	4.0
95.08614	61.0
97.06538	3.9
97.10176	4.7
98.20876	3.2
105.07044	28.8
107.08607	59.1
109.10167	42.7
111.08070	9.6
111.11652	4.6
117.07043	7.6
119.08595	35.7
121.10161	70.8
123.11700	18.9
129.07022	3.1
131.08551	13.8
133.10149	26.8
133.65147	3.1
135.11705	34.1
137.13286	5.7
143.08514	4.0
145.10153	24.6
147.11720	19.7
149.13286	19.6
157.10117	6.7
159.11699	21.2
161.13303	23.1
163.00116	3.5
163.11176	4.8
163.14818	14.2
171.11723	7.7
173.13258	16.4
175.14847	10.5
185.13251	8.8
187.14844	15.9
189.16382	8.2
191.14330	5.0
191.17909	19.0
199.14815	10.1
201.16400	9.5
203.17947	6.3
213.16434	15.1
215.17931	9.1
227.17995	11.2
229.19475	4.6
231.17429	4.3
241.19447	8.4
257.22592	21.1
283.24219	51.6
286.04752	6.5
291.53650	3.4
301.07068	11.2
301.16544	8.0
301.21835	7.5
301.25235	100.0
301.32065	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	301.2163
Annotation	9-cis-Retinoic acid
Peak:m/z	Relative Intensity
53.03954	3.8
55.01862	2.1
55.05510	9.5
57.07082	10.8
57.40160	2.4
67.05514	21.2
68.36929	1.9
69.03427	7.4
69.07061	11.6
69.24060	2.0
70.06591	7.5
71.04994	9.3
79.05499	15.1
81.07065	26.0
83.04985	8.5
83.08615	4.1
85.06548	4.0
87.26295	2.0
88.07619	8.5
91.05494	26.3
93.07047	29.6
95.04979	14.0
95.08617	24.9
97.06550	8.9
105.07043	49.7
107.08597	38.6
109.06532	37.2
109.10159	28.9
111.08126	3.4
117.07019	18.4
119.08592	51.5
121.06532	11.8
121.10170	21.9
123.08059	4.7
123.11704	5.5
126.13360	2.2
128.06239	3.0
129.07010	9.0
130.07803	4.9
131.08580	48.9
133.10139	37.8
135.08081	25.4
135.11705	8.6
137.09666	3.8
142.07809	2.9
143.08574	18.4
144.09352	7.2
145.10133	55.9
146.07268	5.9
147.08128	2.6
147.11707	14.3
149.09622	2.9
149.13295	5.5
151.11188	8.1
155.08617	2.3
156.09302	4.8
157.10132	12.0
158.10919	12.6
159.08073	5.5
159.11684	12.1
161.09644	60.5
161.13287	4.9
163.11279	4.1
169.10184	5.2
171.11699	8.9
173.09703	3.9
173.13281	100.0
175.11292	3.6
175.14818	12.7
179.08635	3.7
181.10173	4.0
183.11703	8.2
185.13271	6.2
187.11407	2.4
187.14867	6.9
189.12791	4.5
191.14325	28.9
193.10034	2.7
194.11018	2.5
195.11702	3.7
197.13354	3.6
199.14819	7.8
201.12738	3.8
201.16353	5.1
203.14284	2.5
209.13275	11.2
210.14336	2.7
223.14822	6.1
225.16292	3.3
227.14304	6.4
258.05356	4.7
265.19507	9.0
269.13049	2.6
283.20630	9.9
283.28262	3.7
284.29553	3.2
301.07098	14.3
301.21567	16.5
302.30536	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	301.2163
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
50.18512	1.2
55.05529	6.1
55.69235	1.3
57.07074	1.2
67.05228	1.5
67.05512	14.8
69.07060	3.5
69.90849	4.1
69.91264	2.2
79.05501	14.3
81.07065	25.4
83.08619	8.9
84.91795	1.2
91.05476	9.9
93.07050	28.5
95.08605	20.1
105.07038	22.1
107.08593	17.7
109.10159	16.0
111.08069	7.3
117.07011	3.7
119.08588	19.9
121.06503	4.8
121.10161	13.7
130.38374	1.2
131.08580	8.5
133.10139	13.4
135.11699	20.5
139.07533	2.5
139.85983	1.2
142.24315	1.3
145.06483	1.4
145.10141	14.2
147.11703	25.7
149.13277	11.4
150.71278	1.2
151.07529	2.4
155.08598	1.7
157.10124	2.4
159.11717	12.9
161.09630	1.8
161.13266	59.8
162.54231	1.2
163.14841	1.9
165.09058	3.0
171.11691	3.9
173.09618	3.9
173.13266	14.8
175.14784	7.5
177.05510	2.7
179.10674	2.9
183.11691	3.5
183.37198	1.6
185.13309	2.9
187.08040	1.3
187.14867	2.3
191.10683	5.9
193.12250	2.9
197.13202	2.1
199.14842	3.2
201.12766	6.9
205.12263	3.7
208.45837	1.4
209.13306	3.3
213.16777	1.4
213.19095	1.3
219.13791	13.4
227.17924	1.9
245.15367	3.7
255.21106	28.5
258.05319	4.1
265.19531	10.0
283.20569	31.3
286.04712	7.1
301.03787	2.2
301.07013	17.7
301.10181	2.5
301.21628	100.0
302.07648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1801
Annotation	4-Androsten-3,17-dione 19-aldehyde
Peak:m/z	Relative Intensity
53.03953	1.8
55.05515	2.7
57.07081	1.8
67.05513	8.4
69.07064	3.6
69.79775	5.9
79.05496	8.2
81.07065	100.0
91.05491	5.1
93.07077	1.6
95.08617	21.9
97.10185	1.3
105.07027	2.0
107.08630	1.5
109.10168	3.4
119.04964	8.4
119.08573	1.3
119.20975	1.0
121.06510	1.8
121.10125	1.5
135.11792	1.3
137.13287	12.2
147.04430	36.3
164.69762	1.2
165.05502	18.1
182.19342	1.2
217.43275	1.1
258.05255	5.0
283.27301	2.3
286.04733	4.6
301.03867	1.8
301.07086	11.3
301.21451	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59814	2.1
53.03941	4.1
55.01871	9.8
55.05514	49.0
57.03444	25.9
57.07061	3.3
59.05003	5.4
59.51319	2.1
60.91766	2.0
65.00404	2.4
65.03930	3.0
67.05513	100.0
69.03446	3.7
69.07085	15.2
71.04993	7.1
71.52055	2.4
73.02921	3.0
79.05503	32.9
81.03419	6.6
81.07066	46.5
83.04993	12.7
83.08639	14.4
85.02908	12.8
85.06561	5.1
87.04458	3.6
91.05480	16.7
93.07069	29.1
95.04998	5.2
95.08614	18.3
97.02894	3.6
97.06534	6.0
97.10185	19.2
103.03965	4.0
105.07011	10.6
107.04967	8.2
107.08609	22.3
109.06531	4.4
109.10172	62.8
111.04468	6.5
111.08100	4.1
111.11741	2.7
117.07029	5.3
119.08579	10.1
120.96302	2.0
121.06525	2.8
121.10159	31.1
125.05944	2.4
125.09637	19.0
129.07022	3.1
131.08574	5.4
133.10143	6.1
135.08096	3.8
135.11685	11.7
137.09651	5.1
139.11206	4.7
145.10164	14.8
147.08063	3.5
155.08611	4.0
163.11232	16.5
173.09642	5.5
173.11784	10.4
181.12265	5.4
191.10724	6.9
193.12704	2.2
199.13402	5.6
209.11771	7.3
227.12843	8.8
245.13737	10.3
257.13791	19.8
258.05316	5.3
269.65530	2.0
272.43561	2.1
283.15466	3.5
286.04782	8.0
301.04053	2.8
301.07077	15.6
301.16541	95.2
301.21771	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	301.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
58.06584	0.3
65.03934	0.4
67.05508	0.4
69.03433	0.4
70.02965	0.9
77.03912	0.3
79.05500	2.4
81.07043	0.8
89.03893	0.4
91.05493	5.3
93.07050	0.6
95.04974	0.5
95.08630	0.8
97.06528	0.3
98.20818	0.3
98.97609	0.3
103.64372	0.3
105.03429	0.7
105.07035	1.1
106.06569	7.7
107.04973	0.4
107.08595	0.7
109.06533	0.7
109.10164	0.5
114.85880	0.3
116.04205	0.5
116.04987	5.3
119.06135	0.3
119.08564	0.5
121.06499	1.9
121.10193	0.3
125.80261	0.2
131.08623	0.4
132.04497	0.6
133.10138	0.6
134.06030	100.0
135.04353	0.4
135.06396	0.7
143.08606	0.2
145.06526	0.6
145.10168	0.4
147.11716	0.3
151.07585	0.6
153.07098	0.3
157.10124	0.3
159.04448	0.5
161.09613	0.3
161.13301	0.3
168.10223	0.3
171.11751	0.4
177.05495	0.5
181.06522	0.8
182.07254	0.3
185.13280	0.3
195.08076	0.3
198.06917	0.4
213.09143	0.4
226.06230	0.5
241.08630	0.5
258.05328	2.6
273.04105	0.5
283.20715	0.3
286.04779	4.0
301.03619	0.9
301.07117	10.1
301.10675	3.6
301.15509	7.5
301.18521	0.4
301.21164	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Diosmetin
Peak:m/z	Relative Intensity
67.05507	0.3
68.99789	0.6
71.44731	0.5
78.58010	0.2
81.07049	0.4
91.05482	0.4
91.94281	0.2
104.33160	0.2
105.03443	0.4
106.04186	0.4
107.04942	0.5
108.05724	0.2
109.02866	0.2
111.04465	0.3
119.04916	0.3
121.06520	1.5
124.01620	0.2
125.05964	0.3
135.04425	3.3
137.02338	0.9
139.03906	3.8
149.05945	0.4
152.01105	0.3
153.01831	5.3
160.01602	0.7
161.05981	0.9
165.01845	1.8
177.07814	0.2
183.02902	0.7
184.05247	0.4
185.05969	0.4
201.05504	0.8
202.06229	0.3
210.16792	0.3
212.04709	0.9
213.05449	0.9
227.06961	0.3
229.04965	3.6
230.05753	7.8
241.04980	0.6
243.00255	0.3
243.02769	0.4
245.08104	1.0
255.06535	0.4
257.04498	1.4
258.05261	9.5
269.04489	1.9
272.06808	0.9
285.03854	0.4
286.04724	7.7
301.07074	100.0
302.07367	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98634	0.4
56.96336	0.5
56.96568	5.9
69.22278	2.3
69.22704	1.6
71.95256	1.7
72.68919	0.5
98.20782	0.9
98.97591	100.0
99.97924	3.6
101.97250	0.7
102.96886	0.7
116.98628	34.7
117.98959	1.5
119.21838	0.4
134.99669	6.6
140.00185	0.5
151.69826	0.5
174.97693	1.0
188.01276	0.4
194.91322	1.2
212.92354	1.8
216.98866	0.8
219.02017	1.3
221.01877	1.6
225.75700	0.4
227.91251	0.5
234.99883	0.5
236.92291	1.3
240.98697	3.0
241.99023	1.5
254.93381	6.3
258.99768	34.4
259.99966	22.8
260.99622	1.5
261.03122	0.9
263.93915	0.6
270.91098	0.4
271.50977	0.5
272.94382	8.2
274.97717	0.5
277.00824	34.1
277.94803	1.5
277.97678	1.6
278.00995	21.9
278.96997	1.0
279.00644	1.5
282.99692	2.2
290.95453	2.3
295.96021	1.9
296.97845	0.5
298.97934	0.5
300.02444	0.8
300.97556	2.5
301.01202	2.3
301.09677	3.2
313.97180	0.4
318.98584	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	300.1937
Annotation	Pro Ala Leu
Peak:m/z	Relative Intensity
51.49691	0.5
69.87793	2.2
70.06596	0.7
70.97805	0.5
79.05495	1.2
81.07036	0.5
83.17621	0.4
86.60627	0.4
93.07067	1.1
94.07362	0.6
107.08591	0.9
108.08973	0.6
135.11688	1.1
136.12024	0.8
147.04384	1.1
148.04790	1.0
168.34135	0.4
179.09186	2.1
208.44482	0.5
227.02657	0.4
256.26169	0.9
300.19373	100.0
301.07031	0.5
301.19644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.4
58.06602	10.6
59.04990	1.4
59.83478	0.4
64.50516	0.4
67.05498	1.2
69.07069	2.8
70.06604	3.4
70.11377	1.9
71.04993	8.5
72.08130	0.9
73.06557	2.9
79.05481	3.2
81.07060	14.5
82.06587	0.6
83.04954	0.6
84.08148	41.1
85.02914	0.7
86.09702	1.0
88.03976	0.5
89.06045	1.1
91.05483	1.8
93.06483	0.9
93.07047	11.2
95.08616	2.1
97.02926	0.6
97.06544	1.4
98.21440	0.6
101.63796	0.5
105.07028	1.0
107.04946	2.8
107.08601	7.0
109.10151	1.5
111.08073	0.8
119.08630	0.5
121.06539	1.1
123.04459	0.5
128.07014	0.7
130.08647	100.0
133.08592	0.5
135.11697	12.8
135.51918	0.5
151.03859	0.6
152.87611	0.5
153.12750	32.3
161.05978	1.0
185.05833	0.7
198.03082	0.5
203.07120	0.5
229.15726	0.5
255.10338	0.6
258.05322	0.6
259.06082	0.5
273.07639	0.6
286.04776	1.1
300.06186	0.8
300.12650	1.0
300.15903	9.2
300.21487	4.8
301.07053	3.3
301.21756	0.5
318.09760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1936
Annotation	Pro Ala Leu
Peak:m/z	Relative Intensity
55.92941	0.3
57.07076	0.5
60.08136	0.3
70.06590	0.9
71.52467	0.5
81.86046	0.3
82.61575	0.4
91.05447	0.4
114.62904	0.3
119.95360	0.3
132.10229	0.5
134.05833	0.7
146.11816	0.3
179.38605	0.3
193.10803	3.3
222.96904	0.3
277.07474	0.8
295.08536	1.1
300.19366	100.0
300.28799	5.4
301.07068	1.2
301.19818	0.6
302.83017	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1596
Annotation	Norarmepavine
Peak:m/z	Relative Intensity
53.03936	0.4
53.95302	0.4
69.43658	2.8
71.28537	0.4
73.45178	0.4
79.05489	1.0
90.12395	0.5
91.05476	0.9
95.04964	0.9
103.05505	0.5
107.04961	100.0
112.06488	0.4
115.05475	0.6
117.07034	1.8
121.06525	2.0
129.07050	0.9
131.04944	0.9
133.06450	0.8
136.05222	0.9
141.58189	0.5
143.04877	0.4
144.05736	1.4
145.06491	10.4
146.07280	0.6
150.06711	0.6
150.70361	0.4
151.07550	9.1
155.06091	1.3
158.07269	3.9
159.04443	1.3
159.08076	0.9
161.05983	0.9
165.09138	2.1
174.06795	7.0
175.07362	0.5
176.08397	1.0
177.09111	1.8
178.66910	0.4
182.43396	0.4
189.07411	0.8
189.09120	15.7
190.09811	0.4
192.10265	1.0
207.08124	0.5
214.05090	0.4
221.09563	0.5
227.63789	0.4
237.09126	4.0
251.10712	1.6
252.11487	9.6
253.08658	2.0
254.09442	0.8
265.12158	0.6
268.10919	8.3
272.06833	0.6
283.13309	42.9
284.13733	0.7
300.06461	2.4
300.15967	44.7
311.50189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.2
55.01860	1.8
55.05511	14.0
57.03440	3.0
57.07084	3.6
57.79717	1.1
58.99594	6.1
65.03941	2.1
67.05513	76.9
69.03429	3.8
69.07077	12.2
71.04997	2.7
71.52523	1.8
72.08162	5.7
75.80124	1.1
76.02241	12.2
79.05500	12.6
81.07065	53.1
83.04986	1.8
83.08634	5.6
84.08177	2.2
86.99062	4.3
89.06049	1.5
91.05477	8.3
93.07051	17.3
95.04980	6.3
95.08617	100.0
97.06531	1.3
105.00126	6.4
105.07035	11.5
107.04961	1.8
107.08596	8.4
109.06539	3.9
109.10167	73.5
117.07030	2.1
119.08601	13.1
121.10162	4.6
122.02741	52.1
123.08088	6.2
130.06885	1.4
133.10129	3.3
135.11714	4.9
136.06207	1.4
137.09662	6.3
137.13324	1.6
138.14891	1.1
145.96944	1.2
149.09619	1.3
151.14835	63.9
159.04785	1.6
161.13297	13.8
179.14333	63.0
196.07639	1.2
226.05962	1.3
239.07085	2.2
271.06284	1.4
285.07602	5.6
300.05969	3.3
300.09625	9.3
300.16336	1.4
300.20157	1.6
301.10693	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	299.2584
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
55.05515	29.6
57.07087	100.0
61.07711	3.2
67.05514	41.0
69.03437	3.9
69.06722	5.5
69.07069	47.7
69.86186	4.8
69.86607	12.1
71.08645	48.7
76.31713	3.1
79.05488	18.3
81.07064	62.5
82.26231	3.0
83.04995	5.0
83.08627	40.9
85.06544	5.3
85.10223	8.3
91.05500	12.3
93.07050	15.7
95.08624	45.2
97.06545	5.3
97.10181	38.5
98.02718	3.3
98.21539	3.6
105.07036	9.5
107.08607	12.6
109.10165	27.6
111.11729	23.9
113.09657	3.5
119.08574	12.0
121.10168	13.1
123.11728	15.1
125.13322	5.2
127.11244	17.1
133.10150	15.0
134.06026	7.3
135.11732	11.6
137.13266	7.0
141.12735	19.5
141.95482	4.1
147.11702	8.7
148.03979	5.9
149.13283	6.2
150.05537	3.7
151.14917	5.0
152.07072	14.4
155.14323	3.9
161.13290	7.4
163.03911	9.0
163.14816	9.3
165.12764	6.0
165.16512	4.8
166.05037	4.1
167.14348	4.1
169.12228	3.5
174.77293	3.6
175.14876	5.3
178.05009	3.5
179.17949	3.5
181.15926	5.1
189.16397	4.6
207.17511	3.4
231.85161	3.4
245.22725	18.9
253.25296	13.3
263.23764	16.7
281.24863	6.0
299.09293	7.9
299.12463	26.2
299.20300	6.5
299.25919	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	300.1596
Annotation	Heterocodeine
Peak:m/z	Relative Intensity
51.00238	0.3
53.03934	0.5
55.01863	0.5
55.05510	0.6
58.06594	0.7
67.05497	0.7
70.06594	0.9
72.08147	1.0
79.05487	1.2
81.03427	0.6
83.04976	0.7
84.04498	0.4
86.09739	0.6
86.58797	0.4
91.05474	1.4
93.07032	0.8
95.04985	0.8
103.05476	0.9
105.07045	0.9
107.04959	70.0
114.09196	0.5
115.05458	4.2
117.07028	1.2
119.04961	1.3
120.15002	0.4
121.06499	3.8
123.08101	0.4
131.04918	2.0
131.08589	0.4
133.06522	0.9
137.05977	6.4
143.04935	7.7
144.05754	0.5
145.06499	6.0
147.08064	1.1
151.07579	1.8
160.05237	2.1
160.07556	0.6
161.05836	0.5
162.06847	0.4
163.07568	2.0
165.06966	0.7
166.07799	0.7
175.07561	11.7
178.08676	0.8
179.08409	1.8
181.06499	1.1
181.10103	0.8
182.07349	0.9
183.08147	0.6
187.52063	0.4
190.07797	0.5
191.08557	1.9
192.10225	1.6
192.11974	0.3
194.07251	2.3
195.08067	0.5
197.09669	2.9
209.09607	7.0
209.11386	0.6
210.06772	0.7
211.07613	0.7
211.11214	0.6
219.08051	1.1
223.07567	0.6
225.09122	1.8
237.09096	8.7
237.11386	0.6
238.09866	0.5
239.07108	0.7
239.10693	0.9
254.09366	2.2
257.11816	2.2
268.13367	0.7
269.11734	18.9
271.10764	0.7
271.13376	0.9
282.20273	0.4
300.15955	100.0
301.16223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38580	0.1
51.02382	0.2
52.43993	0.1
52.99236	0.1
53.03943	0.2
55.05511	0.1
60.93570	0.1
61.97331	0.1
65.03939	0.2
68.51687	0.1
71.53516	0.2
77.03936	0.3
79.05495	2.0
81.07081	0.2
89.03931	0.2
91.05491	4.8
95.04981	0.2
95.08633	0.2
103.18575	0.1
105.03407	0.4
105.04486	0.2
105.07072	0.2
106.04210	0.2
106.06565	7.8
107.04943	0.2
109.06538	0.7
116.04993	5.9
119.06086	0.5
119.08556	0.1
132.04448	0.4
134.06027	100.0
135.06366	0.4
135.08044	2.0
165.54408	0.1
166.12288	1.5
175.03932	0.2
299.09314	0.2
299.12250	0.4
299.17569	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	299.2372
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
53.03942	2.9
55.05518	9.4
66.93056	1.2
66.93538	1.4
67.05510	21.6
69.07083	8.1
69.91611	3.3
69.92017	4.1
71.05013	10.3
79.05505	19.3
81.07068	97.1
83.08633	9.7
85.06554	54.7
91.05489	22.7
93.07056	29.3
95.08620	39.2
97.10162	2.8
99.08102	1.7
105.07046	47.8
107.08615	28.3
109.06547	1.5
109.10171	23.6
111.08086	2.9
113.09671	2.4
117.07008	5.4
119.08597	33.6
121.10155	19.5
123.11693	4.6
129.06995	6.6
131.08585	50.4
133.10147	26.3
133.40152	1.5
135.07953	1.5
135.11711	24.5
137.09636	2.5
141.06972	2.3
143.08569	19.3
144.09357	3.5
145.10147	21.0
147.11713	38.8
149.13280	18.5
151.11211	3.2
155.08554	4.5
156.09366	4.6
157.10168	13.4
159.11708	46.9
161.13284	60.9
163.11209	2.8
165.12830	2.9
169.10117	7.9
171.11703	30.6
173.13286	18.1
174.73068	1.5
175.11227	2.4
175.14830	15.4
177.12836	2.5
183.11688	4.8
184.12529	1.6
185.13280	25.3
187.14825	7.7
189.12756	19.6
191.14328	1.9
197.13297	8.0
199.14868	21.7
201.09099	2.2
201.16409	3.4
203.14297	7.0
211.14890	14.0
213.16357	4.7
215.18016	7.4
217.15881	6.0
219.47150	1.4
225.16408	21.9
229.19496	2.0
237.16348	1.9
239.17989	5.1
241.19566	6.7
253.19598	3.3
255.21053	9.8
257.22641	2.0
281.22672	100.0
299.05783	1.6
299.09070	2.4
299.12372	5.6
299.23727	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1645
Annotation	Auraptene
Peak:m/z	Relative Intensity
53.03939	0.3
55.05512	0.3
57.07074	0.5
60.08146	0.2
65.03934	0.4
66.50532	0.1
67.05505	1.1
68.99796	0.3
69.07084	1.4
69.83790	0.5
69.84196	0.4
70.05701	0.2
71.08620	0.2
79.05509	1.7
81.07068	9.6
89.03928	0.2
91.05493	6.8
93.07041	0.3
95.04995	0.2
95.08620	4.3
97.77950	0.2
98.20697	0.2
105.06989	0.2
107.04970	12.5
109.10168	0.4
119.04955	9.2
125.97437	0.2
134.06009	0.3
135.04460	1.0
137.13275	2.8
148.03935	0.2
152.07115	0.5
159.04456	0.4
161.06036	0.2
163.03925	100.0
164.04224	0.5
171.21761	0.2
173.05991	0.3
189.05513	1.2
201.05495	0.5
203.07076	0.6
212.74202	0.2
215.07077	0.5
299.12463	1.0
299.16376	0.8
299.19678	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1645
Annotation	Iso-Olomoucine
Peak:m/z	Relative Intensity
55.01885	0.6
55.05504	0.8
57.07071	0.5
60.08152	0.5
61.51355	0.4
67.05502	0.7
69.07095	2.3
69.35080	0.5
71.52381	0.5
78.12038	0.4
79.05508	0.8
81.07073	2.7
83.08613	0.8
91.05493	6.7
95.04971	0.5
95.08603	1.0
97.10220	0.5
105.07070	0.6
107.08611	0.5
109.10171	0.7
117.07054	0.6
119.04965	2.9
123.11721	1.4
128.06221	0.4
129.06955	0.5
133.06483	0.8
133.10086	0.4
134.06003	1.1
135.11685	0.5
147.04431	14.7
148.03941	0.5
150.05472	0.4
152.07088	1.1
155.08603	0.7
159.04451	0.7
161.41672	0.5
171.08189	0.5
173.05986	0.9
175.03925	100.0
178.05003	0.4
181.47711	0.5
183.08136	1.0
185.09634	0.5
187.03856	0.8
189.05493	9.3
195.08101	0.9
197.09647	0.9
199.07564	0.7
201.05479	2.0
201.09125	0.8
203.07045	4.5
205.39087	0.5
209.09631	1.0
211.07452	0.5
213.09207	0.8
214.10046	0.5
215.07072	1.0
215.10687	1.7
217.08620	8.8
225.09148	3.2
225.12756	0.7
226.06313	0.4
227.10617	0.6
229.08635	2.3
231.10228	1.4
235.11211	0.9
237.12767	1.4
239.10683	1.5
241.08553	1.2
243.10204	3.8
250.13342	0.6
253.08681	1.7
253.12206	0.6
254.13031	1.3
257.11780	0.7
268.08105	0.5
268.10962	3.2
269.08044	1.8
269.15417	4.1
271.16986	1.7
274.41116	0.4
281.15369	1.0
281.22522	0.7
284.10492	2.3
299.09122	1.2
299.12613	8.7
299.16458	13.8
299.19907	1.0
299.23376	0.7
315.93411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1644
Annotation	(3S,5S)-alpinikatin
Peak:m/z	Relative Intensity
51.16203	0.7
52.06859	0.8
53.03948	0.9
55.05511	3.1
55.56604	0.9
57.07057	1.1
60.08173	1.2
61.31961	0.8
67.05512	2.5
69.07071	1.3
71.04997	5.2
71.06834	1.9
79.05493	1.9
81.07067	3.5
83.04961	0.9
83.08622	1.5
85.06594	1.0
91.05496	5.3
93.07056	14.1
95.04955	1.2
95.08611	3.2
97.10182	3.9
99.04473	8.5
105.07031	2.4
107.04993	1.4
107.08589	2.6
109.10164	1.2
115.05496	6.4
117.07037	14.8
119.08585	1.4
120.04444	0.9
121.10165	5.9
125.09684	1.3
128.06241	3.1
129.07014	23.2
131.08572	1.0
133.06493	2.0
134.06015	1.0
135.26456	0.9
141.07045	1.0
142.07848	1.6
143.08594	2.0
145.06494	100.0
146.06987	1.0
147.08047	1.5
147.11781	0.8
148.03938	1.0
149.09633	2.9
152.07106	1.9
157.06502	47.3
157.10089	1.1
159.08066	3.0
159.11705	0.9
167.08604	2.0
167.10559	0.9
169.06487	2.9
170.07242	2.1
171.03252	0.8
171.08064	6.6
183.08069	8.7
185.06059	1.0
185.09637	36.0
194.04543	1.1
197.09558	4.0
211.11203	2.6
223.11232	1.5
225.12785	2.9
230.15689	0.9
253.15981	3.1
263.14316	2.4
281.15271	5.2
299.05493	2.6
299.09100	5.7
299.12451	4.4
299.16452	9.2
299.19864	1.8
299.23676	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1646
Annotation	Iso-Olomoucine
Peak:m/z	Relative Intensity
51.17733	1.4
55.01881	2.3
55.05514	3.8
65.73848	1.4
67.05495	3.2
69.07073	5.6
71.52010	2.7
75.04500	2.2
79.05517	2.2
81.03418	4.4
81.07061	4.1
91.05489	3.0
93.07034	1.9
94.84707	1.7
95.04950	2.0
95.08611	3.8
105.07031	2.5
109.10150	3.3
115.05489	2.0
117.02383	1.4
119.08562	1.9
121.06538	1.8
145.06529	2.1
151.07463	2.4
153.06955	2.6
155.08537	3.4
158.07370	2.6
165.07025	5.7
166.07645	2.0
167.08583	5.3
169.06525	3.4
169.10078	1.7
170.07350	2.3
171.08073	5.1
172.08786	2.2
175.03883	3.7
179.08566	3.7
181.06448	7.7
181.10172	3.0
182.07306	4.6
183.08066	11.9
184.08875	5.5
185.09541	2.3
187.11151	1.6
188.08368	2.1
189.09027	4.3
191.08722	2.5
191.10669	5.8
193.06535	1.6
193.10136	4.6
195.08070	11.8
195.11818	2.2
196.08823	5.2
197.05962	2.2
197.09651	15.9
198.10406	8.4
199.07527	6.0
199.11227	1.9
200.08333	8.6
201.09229	7.4
203.10695	3.7
207.08189	3.1
207.11708	4.1
208.08867	5.1
209.09648	18.6
210.06810	3.2
210.10420	4.3
211.07584	7.2
211.11180	7.3
212.08446	3.5
213.09181	13.3
214.09926	5.5
215.10709	30.7
215.14194	1.8
216.11464	2.2
217.12244	1.9
221.09660	3.8
222.10432	3.8
223.11195	16.8
224.08176	3.4
224.12025	3.6
225.09146	40.1
225.12677	13.2
226.06165	2.6
226.09897	4.4
227.10703	14.9
228.11508	6.5
229.12251	10.0
231.10204	5.9
231.13913	2.1
235.11295	10.6
237.09180	2.8
237.12788	19.4
238.13612	11.7
239.10733	21.5
239.14313	2.1
240.11415	6.2
240.15143	4.4
241.08621	23.3
241.12241	8.7
242.13028	1.9
243.10181	10.9
249.12750	5.6
250.13521	7.3
251.10783	5.8
253.08641	16.2
253.12178	5.4
254.13055	20.9
255.13715	10.3
256.10385	3.8
256.14658	4.7
257.15411	5.8
266.13098	2.8
267.10193	4.7
268.10995	47.7
268.14224	3.3
269.08118	17.5
269.11832	6.4
269.15375	61.7
271.16959	24.9
281.15479	16.1
284.10501	35.5
284.14056	4.7
299.05576	7.1
299.09232	2.8
299.12692	78.9
299.16443	100.0
299.19775	5.6
300.16986	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	299.1643
Annotation	CHEBI:70686
Peak:m/z	Relative Intensity
53.03945	1.9
55.01873	0.8
55.05515	3.3
57.07074	1.5
62.05452	0.5
63.89602	0.6
65.03953	0.5
67.05506	4.6
69.07075	4.0
71.22827	1.2
72.08160	0.5
74.37532	0.5
75.94741	0.6
77.03923	1.0
79.05499	11.4
81.07072	4.0
83.08630	1.0
85.16274	0.5
91.05487	9.0
93.07048	31.9
95.04447	0.5
95.04950	2.8
95.08611	19.4
96.08937	0.7
97.06541	0.5
103.05483	1.6
105.04546	0.8
105.07038	10.3
107.04961	100.0
107.08599	28.2
109.06555	0.6
109.10159	3.4
111.04443	1.2
115.05457	0.7
117.07031	10.4
119.04941	2.2
119.08586	7.9
121.02877	1.9
121.06510	7.6
121.10155	5.1
123.04459	1.2
123.11711	0.6
128.06306	0.7
129.07014	1.2
130.07797	0.9
131.04944	3.8
131.08577	10.5
133.06503	8.4
133.10135	7.7
135.04448	0.8
135.08092	1.1
135.11702	29.6
142.07779	0.7
143.08574	0.6
144.05737	1.4
144.09360	2.3
145.06499	7.0
145.10141	2.3
147.04433	4.9
147.08061	5.7
147.11691	2.3
149.06017	4.6
153.07042	1.0
157.06517	6.9
157.10107	0.8
159.08080	7.9
159.11707	29.4
161.05978	0.9
161.09641	2.3
161.13242	0.9
163.07564	1.7
165.05525	1.2
165.06972	1.6
165.09131	1.9
167.08585	0.9
171.08063	6.2
173.06033	1.1
173.09590	3.1
175.07597	0.7
175.11133	0.9
177.05553	2.7
177.12782	0.7
178.07707	0.8
179.08569	2.7
179.10680	1.6
182.07277	1.7
183.08067	8.9
185.06030	3.5
185.09650	3.5
187.11244	1.6
189.05467	0.8
190.79135	0.5
193.10159	0.6
193.12204	1.2
197.09650	11.7
199.11235	1.2
203.07056	8.1
205.12256	23.9
205.14206	1.3
207.07970	0.7
209.09660	0.9
211.07642	0.9
211.11209	4.6
215.07150	0.8
217.08679	1.2
225.09123	2.1
225.12759	1.4
227.14278	1.1
229.08614	2.0
238.13611	0.6
239.10751	0.8
239.14322	0.6
243.10172	3.7
253.15901	37.6
263.14334	1.7
281.15390	8.7
281.25723	0.6
299.12750	1.9
299.16434	52.7
300.16827	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2743
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
53.03938	1.4
55.05518	11.4
56.05041	5.6
57.07083	3.6
57.07330	0.8
58.02959	1.6
60.04515	1.8
61.39754	0.5
62.81196	0.5
65.03930	0.9
65.74689	0.6
67.05512	16.5
67.05873	0.9
68.05014	2.2
69.06735	0.9
69.07076	12.9
70.84248	0.9
70.84578	1.1
71.08606	1.2
72.04514	0.7
73.43494	0.6
74.06062	0.6
79.05077	0.8
79.05503	11.3
80.05013	1.9
81.03426	1.0
81.07062	13.6
82.06580	6.9
83.04973	0.8
83.08631	7.8
84.08119	0.6
86.06062	1.9
91.05491	5.4
93.07055	6.6
94.06570	1.8
95.04940	1.2
95.08610	11.6
96.08132	1.3
97.06551	0.9
97.10161	2.6
98.06059	2.0
100.07617	2.7
105.07061	3.5
107.08611	3.7
108.08109	1.1
108.08822	0.7
109.10169	5.4
111.11695	1.6
112.07647	0.8
112.11426	0.5
114.04926	0.6
119.08584	3.8
121.10153	3.6
122.09671	1.0
123.11681	1.4
133.10101	1.9
135.11665	1.1
136.06192	2.2
136.11174	0.7
137.02402	0.6
137.13266	0.9
140.10687	0.7
147.04408	0.6
147.11679	1.0
154.12231	0.9
155.49295	0.7
176.04175	0.6
192.91095	0.6
200.58264	0.8
200.68311	0.6
210.48618	0.6
250.25340	7.1
262.25296	4.0
263.23999	0.7
280.26376	100.0
298.27451	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.05519	2.7
57.07085	1.0
58.06608	2.0
66.62432	0.6
67.05518	5.7
69.04388	0.6
69.07071	6.3
69.30942	3.2
69.31368	2.2
70.06606	1.0
72.08162	100.0
72.17085	0.6
77.38428	0.6
79.05495	3.3
81.06631	0.6
81.07079	1.9
82.07396	0.9
83.08630	2.5
84.08159	3.9
91.05481	1.5
93.07063	4.5
95.08626	2.1
97.06556	2.3
105.07050	0.9
107.08599	5.4
109.10174	1.5
111.08102	0.7
112.11272	3.5
119.08602	0.7
130.12321	0.6
135.11714	11.7
136.06183	7.5
147.04405	0.8
153.12735	1.4
159.08080	0.8
162.13654	0.7
175.03912	2.6
176.04321	3.7
182.15427	1.7
186.92265	0.6
197.06049	1.4
210.18546	95.5
224.20062	1.0
225.05522	0.9
227.21216	8.5
254.05756	1.5
255.06592	2.0
281.25900	42.9
283.06015	1.7
298.08347	9.4
298.15216	1.3
298.28549	45.4
299.05466	1.7
299.08871	1.2
299.12607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2744
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
53.03946	1.1
55.05273	0.7
55.05517	9.3
56.05038	6.3
56.35708	0.5
56.75716	0.5
57.03434	0.6
57.07080	4.7
58.02952	2.1
60.04270	0.7
60.04532	7.7
65.03934	0.6
67.05510	16.7
68.05025	1.9
69.06731	1.0
69.07076	13.6
71.08636	2.8
71.45211	1.2
72.04515	1.2
72.08158	0.6
74.06106	0.7
77.61611	0.5
79.05498	8.3
80.05033	2.7
81.06590	1.0
81.07068	16.0
82.06583	7.3
83.04986	1.6
83.08629	6.3
84.08167	0.7
86.06074	2.2
91.05486	7.3
93.07053	6.5
94.06567	3.2
95.04968	1.3
95.08621	13.9
96.08131	1.5
97.06551	0.9
97.10193	3.6
98.06074	0.9
100.07595	1.0
105.07062	3.6
107.08597	3.8
108.08092	0.7
109.10175	5.6
111.11740	1.3
112.07605	1.3
113.27799	0.6
116.00913	0.6
119.08580	2.7
121.10173	3.1
122.09644	1.0
123.11701	1.8
133.10130	2.0
135.11710	2.4
136.06166	1.3
140.10696	0.6
147.11758	1.1
154.12279	1.1
161.13246	0.6
191.17941	0.9
245.22726	0.8
250.25316	5.4
262.25388	3.1
263.23697	1.4
267.09845	0.6
280.26382	100.0
283.09317	1.1
298.08350	0.9
298.11716	3.0
298.17828	9.9
298.27505	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	298.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.05516	9.7
56.05037	4.8
57.07078	3.7
58.02963	2.1
60.04528	3.0
65.03960	0.7
67.05509	16.9
68.05047	1.8
69.07070	10.6
71.08633	1.9
72.04507	1.2
72.08153	1.0
77.06393	0.7
79.05500	11.8
80.05022	2.4
81.07060	16.3
82.06586	7.3
83.04973	0.9
83.07346	0.7
83.08614	6.2
84.08150	0.7
86.06062	2.0
91.05483	6.7
93.07052	9.0
94.06567	2.9
95.04984	1.1
95.07351	0.9
95.08614	10.8
96.08150	1.4
97.06548	0.9
97.10188	1.3
98.06075	1.8
99.10577	0.6
100.07649	1.5
105.07039	5.0
107.04949	1.7
107.08607	4.0
108.08114	0.9
109.10149	4.7
119.04924	0.9
119.08585	3.4
121.10165	3.4
122.09658	1.5
123.11749	0.9
131.08607	0.9
133.10149	2.4
135.11697	3.1
136.06184	1.7
137.09502	0.9
147.04410	3.1
147.11676	1.7
153.02669	0.7
161.13345	0.8
179.69833	0.7
191.09158	2.0
192.06215	0.7
250.25330	7.3
262.25284	2.8
263.23557	0.8
274.97778	0.7
280.26361	100.0
294.15924	0.7
298.17792	23.8
298.27417	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	298.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.4
57.03448	5.0
57.07082	18.7
58.06628	0.4
64.14643	0.4
65.03933	0.6
67.05511	14.5
69.07074	12.1
69.33160	0.5
70.06599	2.2
70.34595	1.7
71.05012	1.2
72.08166	0.9
74.06078	0.6
74.09733	2.8
79.05502	3.9
81.07064	73.8
83.05000	1.1
83.08627	4.6
85.06557	1.1
88.03924	0.4
91.05480	1.0
91.98575	0.5
93.07057	5.1
94.06522	0.4
95.04979	2.7
95.08616	26.8
97.06586	0.5
97.10188	1.6
98.06062	22.9
105.07023	1.5
107.08596	1.2
109.06536	1.9
109.10151	2.3
111.08109	1.3
112.07626	2.5
121.10174	0.8
123.11720	100.0
125.13245	0.7
126.12754	1.6
130.12311	2.5
131.55519	0.5
132.54228	0.5
133.10143	2.7
140.10709	2.5
141.12752	5.8
151.11208	6.4
154.12306	5.4
168.13890	2.3
168.17477	0.6
169.12256	11.6
187.13252	0.8
196.17055	0.7
197.15396	11.1
224.20111	6.5
242.21167	64.6
243.15930	6.3
243.21368	0.6
273.51520	0.5
280.26312	3.2
298.23801	53.9
299.05746	0.7
313.09396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2742
Annotation	Palmitoleoyl-EA
Peak:m/z	Relative Intensity
50.86361	0.4
53.03945	0.4
55.01871	0.8
55.05513	12.3
57.07078	54.2
65.42169	0.3
67.05505	12.7
69.07070	16.4
70.64500	0.8
71.04987	0.4
71.08641	1.1
72.08158	2.4
73.92062	0.3
74.07369	0.4
74.09721	53.7
79.05492	1.7
81.07060	13.6
83.08621	14.0
85.06567	0.8
85.10203	0.4
86.06079	1.5
91.05486	1.0
93.07063	1.6
95.08611	22.6
97.06507	0.6
97.10174	6.3
100.07624	3.3
105.07047	1.4
107.08604	1.0
109.06518	0.4
109.10162	12.2
111.11674	1.8
116.10729	0.8
119.08572	1.8
121.10173	1.3
123.11725	3.9
128.10762	0.4
133.10156	1.6
134.09642	0.8
135.11786	0.7
136.06154	0.6
142.12285	5.3
144.10219	1.9
145.10191	0.4
147.11685	1.0
156.13843	2.9
161.13226	0.5
163.14803	0.7
165.16426	3.3
168.13881	0.5
170.15431	1.3
182.15381	0.9
183.17424	2.8
184.17046	1.1
189.04080	0.4
189.16373	1.7
196.16971	0.7
207.17564	0.7
209.18999	0.6
213.94818	0.4
224.20152	1.4
238.25278	0.9
245.22594	0.4
280.26367	38.1
288.71997	0.5
298.27411	100.0
299.27722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2743
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
50.85356	0.4
53.03938	0.8
55.01637	0.8
55.01877	10.0
55.05516	28.0
56.05846	0.6
57.06798	0.5
57.07081	8.3
62.06097	2.4
67.05510	6.6
68.05829	0.5
69.03092	0.5
69.03436	5.5
69.07074	41.1
70.46590	0.6
70.46950	1.2
71.08633	2.9
72.08160	14.2
79.05519	2.6
81.07063	6.5
82.07418	0.6
83.04986	0.6
83.08624	23.5
85.10168	1.9
91.05453	0.8
93.07050	3.7
95.08613	6.3
96.08936	0.8
97.06533	2.0
97.10177	14.2
99.08098	0.5
107.08595	2.0
109.10159	3.8
111.08090	1.3
111.11726	5.7
113.09649	0.4
121.10140	4.1
123.11706	1.1
125.09686	1.1
125.13265	0.6
127.11140	0.5
135.11716	2.7
136.06166	0.8
146.10458	0.4
149.13278	1.0
191.18016	0.9
209.19017	45.2
262.22549	0.9
280.26370	100.0
298.04758	0.6
298.11749	0.6
298.27399	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	298.2014
Annotation	Penicillenol A1
Peak:m/z	Relative Intensity
52.64549	0.9
53.03946	5.6
55.01862	3.1
55.05516	15.7
57.03438	2.8
58.06318	1.0
58.06601	19.0
60.28102	1.0
61.01132	1.1
65.03931	4.2
67.05507	51.0
69.03436	10.8
69.07070	7.0
70.06594	70.2
71.04993	8.8
71.37402	1.5
72.08158	27.6
73.02919	1.3
74.76558	1.2
75.04468	1.5
77.03956	1.0
79.05495	75.0
81.03417	12.4
81.07057	67.0
83.04989	11.0
83.08608	1.3
83.52635	1.1
84.04492	1.6
84.08115	2.6
84.23425	0.9
85.02890	2.8
85.06544	2.2
86.06093	1.2
86.09682	2.9
87.04467	1.8
88.07631	61.5
90.09174	1.7
91.05482	79.7
92.97257	1.1
93.03403	1.9
93.07046	41.4
95.04962	14.4
95.08051	1.5
95.08611	17.7
97.02886	2.3
97.06534	6.7
98.06049	4.2
99.04436	5.7
100.03957	4.3
100.07600	2.6
103.05468	2.8
104.60791	1.2
105.07034	96.0
106.08672	23.9
107.04950	12.9
107.08595	59.9
107.52977	1.0
109.02888	5.0
109.06511	7.7
109.10140	3.6
110.06039	1.9
110.07128	1.8
111.04424	3.8
111.08064	3.2
113.05991	2.6
115.05423	2.8
117.07023	10.3
119.04933	3.1
119.07296	1.9
119.08583	40.0
120.08123	6.0
121.06512	5.9
121.10157	6.6
122.06012	1.6
122.09621	1.3
123.04427	1.7
123.08069	3.0
124.03930	1.5
125.09642	1.4
126.09084	1.6
127.03900	1.9
127.07571	1.8
128.07071	3.7
129.07022	7.1
130.07755	2.2
130.08644	1.5
131.08572	24.8
133.06506	15.3
133.10129	58.3
133.82742	1.0
134.06030	2.3
135.04387	1.2
135.08067	3.2
135.11665	3.7
136.03929	12.2
136.06175	9.1
136.07503	1.7
137.05960	2.4
141.05522	1.3
142.07753	2.9
143.08467	1.5
145.10118	19.3
146.06038	1.5
147.08047	5.0
147.11690	82.5
149.05882	1.5
149.09612	4.8
149.13232	4.6
151.03879	1.5
151.07535	2.3
154.04973	9.3
154.08638	8.3
157.10104	5.9
163.11133	5.8
165.08955	1.0
165.12758	3.8
172.07533	1.4
172.09642	3.0
173.09599	4.7
175.11197	24.2
180.10185	1.8
190.08669	2.1
191.10777	6.4
192.08955	1.9
192.13815	2.6
193.12285	8.7
198.11220	1.2
204.13838	3.1
206.06996	1.6
206.15385	15.3
207.08113	1.3
212.12799	2.9
223.07188	2.3
224.16418	4.1
235.07549	2.3
238.06247	1.4
239.11258	2.8
244.16963	3.9
250.18065	1.2
254.11763	4.2
262.18027	34.2
262.20782	1.8
266.08987	6.0
268.09680	1.7
269.11743	1.3
280.08215	1.5
280.19058	90.0
281.08035	1.8
282.11234	2.2
283.09238	2.2
283.11978	12.7
298.11331	9.3
298.14526	58.4
298.20074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2016
Annotation	N-(3-Oxododecanoyl)homoserine lactone
Peak:m/z	Relative Intensity
55.05489	0.5
56.05040	10.2
57.03423	1.2
57.33980	0.4
58.06587	1.4
65.03932	0.5
67.05495	1.6
68.05025	0.7
68.99801	0.6
69.03437	2.6
69.07058	1.2
69.69530	2.4
70.03754	0.6
70.06571	1.1
74.06094	3.7
79.05491	1.2
80.04996	0.5
81.03402	0.5
81.07062	3.0
83.04978	0.4
84.04510	16.1
84.08116	0.5
85.23878	0.4
86.06078	1.4
86.09702	1.2
88.04002	1.3
91.05466	1.0
93.03401	1.2
93.07056	2.8
94.03733	0.5
94.06535	0.8
95.08620	4.4
98.97580	1.1
100.07581	0.5
102.04867	0.5
102.05547	9.1
105.07034	1.9
107.04921	0.4
107.08606	2.1
108.08104	2.4
109.02880	0.5
109.10124	1.6
110.03203	0.4
111.00790	0.5
111.04426	0.5
111.11743	0.8
112.03951	0.7
114.05535	0.8
116.98663	0.4
119.04948	1.1
119.08582	1.7
121.02863	2.2
121.10108	0.5
122.03220	1.3
122.09660	1.4
128.07104	1.4
130.05016	25.5
132.06567	0.5
133.10133	3.8
134.09633	0.7
135.11703	3.5
136.06204	1.9
137.02350	0.5
137.13258	1.8
139.07549	0.5
145.02829	0.5
146.03145	0.4
146.06042	0.5
150.12782	1.0
151.03929	0.5
151.13596	0.5
151.14827	1.1
154.05035	0.9
156.06552	1.0
161.02367	0.7
161.08348	0.9
161.13234	2.2
163.14772	0.4
164.04106	0.5
164.14363	1.8
166.15973	0.5
174.07631	0.9
178.99797	0.7
179.03461	4.1
180.00101	1.4
180.03743	5.0
180.10022	0.4
182.08153	0.9
192.10225	0.6
192.13847	0.9
192.17480	0.6
197.00853	1.3
198.01074	0.9
199.21356	0.4
208.16994	1.9
210.14923	5.8
230.05437	1.0
236.16576	1.0
238.09679	0.5
239.11423	0.5
241.62735	0.4
252.16039	0.7
252.19606	2.3
254.17531	22.1
256.06940	0.7
258.44592	0.4
266.08926	1.1
270.07928	0.6
280.06830	0.6
280.19113	1.7
297.03845	1.0
297.06976	0.5
298.04318	5.7
298.07892	53.8
298.14514	3.6
298.20151	100.0
299.05481	1.6
299.08389	0.8
299.20322	0.6
302.85114	0.4
313.07068	0.9
314.07388	0.6
316.05490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.4
55.05522	5.1
59.04985	3.2
67.05521	9.7
69.03427	4.4
69.07082	4.4
70.83669	6.4
71.04996	3.5
71.07369	4.0
72.08165	27.9
79.05515	16.2
81.03440	6.6
81.07065	22.3
83.05007	5.1
86.52238	2.9
91.05489	28.7
93.07037	17.4
95.04976	54.9
95.08617	6.5
97.06531	3.8
97.99990	3.2
100.43504	3.1
105.07048	62.9
107.08630	6.1
109.06537	3.0
117.07024	11.0
119.08582	13.8
121.10145	11.0
123.08131	4.6
131.08563	20.9
133.06467	15.2
136.03954	10.4
136.06180	8.4
139.10002	4.3
145.10172	22.7
149.09644	31.6
154.05019	8.2
155.55664	3.8
163.11133	6.2
191.10713	7.4
209.11467	3.9
223.07071	3.9
238.09531	6.4
258.71805	3.6
262.18066	100.0
262.20865	6.7
266.09109	11.0
280.09546	7.2
280.19153	27.7
281.11777	4.5
283.08984	6.0
298.11414	17.3
298.14615	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	298.2016
Annotation	Heleurine
Peak:m/z	Relative Intensity
52.44326	0.5
55.05482	1.4
56.05006	2.3
56.05244	0.6
57.03429	0.7
60.23618	0.5
65.52818	0.4
67.05477	1.8
68.04999	1.1
68.71616	0.6
69.07039	1.7
69.51189	2.0
69.51611	1.3
70.06590	1.4
72.08135	0.7
74.02421	1.4
74.06050	1.8
79.05503	3.0
80.05000	0.7
81.07063	4.9
82.06551	1.2
83.08616	0.9
84.04479	1.8
84.08102	0.9
85.02894	0.7
86.02406	1.1
86.06034	0.6
87.21095	0.5
88.03964	1.9
91.05447	1.5
93.07054	8.3
94.06548	1.6
95.08607	6.7
97.06519	0.7
98.20808	1.0
102.05530	1.6
103.70279	0.5
105.07006	1.6
107.04955	0.8
107.07999	0.5
107.08605	4.4
108.08124	8.3
109.02946	0.5
109.10175	2.4
110.09639	1.1
111.08022	0.5
112.07564	0.5
114.05521	1.4
116.07095	0.9
119.08550	1.2
121.10146	0.9
122.09676	3.3
123.11660	1.3
124.11225	0.9
125.05978	1.6
128.07053	1.2
128.10744	0.5
130.05040	2.8
130.08638	0.8
133.10097	1.5
135.10703	0.9
135.11700	11.3
136.03937	0.9
136.06235	3.0
136.07607	2.7
136.11192	1.5
137.07863	0.6
137.13249	1.4
138.05492	1.4
139.07524	2.1
145.10191	0.6
147.11639	0.7
150.12793	4.4
151.13519	1.9
154.05006	1.0
154.08572	0.9
154.12219	0.5
156.10229	0.8
160.07718	0.6
161.08340	1.9
161.13206	0.7
163.11200	0.8
164.14359	6.6
165.01813	0.9
166.12236	0.5
166.15950	2.4
168.10229	0.9
177.01923	0.6
178.02054	0.9
179.84761	0.5
181.12248	1.3
182.08167	2.6
182.11842	0.6
182.15411	1.1
192.10262	1.5
192.13872	4.2
192.17473	2.3
208.16930	1.3
210.14902	24.3
212.16385	0.5
236.16385	0.8
239.11478	0.6
254.17529	90.3
256.19083	2.1
280.19070	1.0
281.06644	0.5
281.11755	0.7
298.08081	1.4
298.14529	4.1
298.20151	100.0
299.05643	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49633	0.4
55.05502	0.6
55.52290	0.3
56.05042	11.4
56.53519	0.3
56.96552	0.3
57.03446	1.5
58.06598	0.6
58.24507	0.3
60.09018	0.2
62.25265	0.3
64.22543	0.3
67.05512	1.5
68.05038	0.8
68.99796	0.7
69.03432	1.9
69.07059	0.9
69.55350	0.3
69.97088	0.8
69.97475	0.7
70.03755	0.6
70.06595	1.1
72.08160	0.6
74.06080	3.4
79.05495	1.4
80.04992	0.3
81.07062	2.5
82.06594	0.3
84.04511	15.8
84.08134	0.3
85.02889	0.5
86.02450	0.4
86.06080	2.1
86.09734	0.8
88.04001	1.2
91.05470	0.9
93.03410	0.6
93.07060	2.8
95.08616	4.4
98.06007	0.5
98.97597	0.7
100.07639	0.8
102.05555	8.6
105.07025	1.6
107.08587	2.3
108.08150	1.7
109.10181	1.8
110.06033	1.0
110.09692	0.4
111.00859	0.3
111.04472	0.4
111.11743	0.9
112.03999	0.8
114.05559	0.8
116.07111	0.9
116.98640	0.5
119.04953	0.5
119.08575	1.3
121.02892	1.4
121.10172	0.5
122.03209	0.9
122.09666	0.8
124.11294	0.5
128.07080	1.1
128.98592	0.5
130.05011	28.3
131.08536	0.3
132.06555	1.2
133.10152	3.9
134.09689	0.3
135.11726	3.0
136.06216	1.5
136.11201	0.4
137.02344	0.7
137.13248	1.2
138.02699	0.5
138.05507	0.6
139.07614	0.4
146.03247	0.5
146.99673	0.3
148.11159	0.3
149.13194	0.4
150.12842	1.7
151.03951	0.3
151.13684	0.4
151.14850	1.0
154.04962	0.4
154.08611	0.3
156.06587	0.8
161.13268	2.1
163.03830	0.4
164.14345	1.6
166.15950	0.8
174.07623	1.0
178.99739	0.7
179.03401	2.5
180.00084	0.8
180.03714	3.1
180.17542	0.5
182.08133	0.6
192.10228	0.4
192.13841	1.2
192.17468	0.6
195.11342	0.4
197.00851	0.6
198.01189	0.7
208.13498	0.5
208.17015	1.6
210.14909	5.3
230.05417	0.3
234.18608	0.5
236.16415	0.4
238.09795	0.7
245.03978	0.4
245.54216	0.4
252.15997	0.4
252.19554	1.8
254.17531	18.9
256.19006	0.4
280.19095	1.8
297.03864	0.4
297.07202	0.4
298.04309	3.1
298.07913	37.9
298.20145	100.0
299.05475	1.3
299.20538	0.6
313.07224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.144
Annotation	Tuduranine
Peak:m/z	Relative Intensity
54.18476	0.3
55.01866	0.5
56.05030	0.4
56.53166	0.4
61.01140	0.3
62.46460	0.3
66.21917	0.3
69.76454	1.7
70.06608	0.5
70.34525	0.3
72.08153	0.6
78.87413	0.3
79.05540	0.4
85.02905	0.5
86.09708	0.4
91.05507	0.6
95.99606	0.3
98.20834	0.5
103.05431	0.4
107.04953	1.0
122.06046	0.8
130.06544	0.6
131.04950	0.4
136.06239	1.7
141.67653	0.3
145.05231	0.8
146.06027	11.0
148.07626	0.4
150.06769	1.4
154.05006	0.9
160.06265	0.8
160.07594	17.8
161.08380	49.8
162.05525	1.1
165.07019	1.1
165.09129	2.2
166.07753	1.2
167.08559	1.6
174.05554	0.5
175.06346	1.6
176.07112	4.0
177.07918	2.9
178.07751	1.1
179.08543	1.7
180.08989	0.7
181.06483	0.6
181.10129	0.9
182.07076	0.5
183.08142	0.6
190.08690	11.6
191.08366	1.1
191.09569	0.5
192.10225	41.4
193.10455	0.5
194.07269	4.4
195.08073	4.9
196.08836	0.6
205.06493	0.5
206.07178	1.3
207.08078	3.6
208.08646	1.7
209.09625	2.4
210.10393	3.7
211.07594	2.6
213.09146	0.5
219.07802	0.5
220.08488	1.0
221.05951	0.8
221.09651	1.2
222.06805	4.9
222.10338	3.3
223.07510	7.8
224.08244	1.2
225.09033	1.0
226.09921	2.4
234.06546	1.0
235.07558	1.2
237.09111	2.9
238.09883	15.6
239.07076	3.4
239.10675	0.3
240.07649	0.7
241.08522	1.6
241.12254	1.4
250.09962	3.4
251.06877	1.3
253.12236	5.4
254.09416	10.5
255.10185	0.5
256.10529	0.5
266.09070	6.0
266.11841	0.3
269.11755	11.6
281.11746	5.1
283.09213	2.6
298.11615	6.7
298.14417	100.0
299.14725	0.5
315.35364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.3
55.86005	0.3
56.05053	0.6
60.26715	0.3
67.05534	0.6
69.07088	0.4
70.06642	0.7
71.50636	0.3
71.51921	0.3
71.52364	0.3
72.08186	0.8
72.93962	0.4
81.07101	0.8
84.04521	0.5
85.02956	0.5
86.09747	0.4
86.53756	0.3
88.04050	0.4
91.05516	0.5
93.07087	1.2
94.07469	0.3
95.08652	0.9
97.02931	0.3
98.97575	0.5
102.05557	0.4
107.05045	0.4
107.08655	0.9
108.08147	0.5
109.10198	0.4
122.09686	0.5
130.05064	0.9
135.11700	0.8
136.06194	2.7
136.12076	0.3
144.05754	0.5
153.12930	0.4
154.05031	0.5
164.14462	0.5
167.08636	0.6
178.07814	0.5
191.08514	0.7
194.23619	0.3
195.08057	3.5
202.07825	0.5
205.06577	1.3
206.07251	0.9
207.08054	4.8
208.08913	0.7
208.17139	0.6
209.06065	0.6
209.09650	1.2
210.10614	0.4
210.14990	1.4
210.18651	0.7
218.07344	0.6
219.08058	3.4
220.08855	0.9
221.06039	1.3
221.09518	2.1
222.06810	1.2
223.07536	7.7
233.06067	1.1
234.06740	3.5
235.07555	10.5
236.08337	1.0
237.05498	4.1
237.09128	6.3
238.06248	0.5
238.09885	2.2
247.07591	0.6
248.08420	0.6
249.09157	3.9
250.09911	28.4
251.07066	29.3
252.07852	6.4
253.08682	0.9
254.17566	7.0
262.15143	0.4
265.08609	2.2
266.09396	45.5
266.11606	1.9
280.19022	0.4
281.11743	100.0
298.07941	2.1
298.11020	0.6
298.14496	9.7
298.20120	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	298.12
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87637	0.3
70.87992	0.2
80.18164	0.1
81.07045	0.1
85.06548	0.1
93.11581	0.1
98.20766	0.2
98.21379	0.1
98.97572	0.1
113.33666	0.1
126.18781	0.1
136.06154	0.3
141.06952	0.1
152.06268	0.4
153.07008	0.3
155.08617	0.2
165.07005	1.2
166.07744	0.2
167.08583	0.4
169.06464	1.5
177.06961	0.2
180.05737	0.2
181.06499	5.3
182.07285	1.1
183.08092	1.2
184.08887	0.3
193.06429	0.3
194.07265	1.3
195.08060	2.5
196.05112	0.2
196.08847	2.3
197.05995	6.6
198.06769	0.3
207.04402	0.1
208.05144	0.4
209.05983	5.9
210.06743	1.1
211.07553	7.6
212.08330	4.3
215.23833	0.1
221.05945	1.0
222.06769	1.2
223.07556	0.6
224.08331	26.5
225.03268	0.3
225.05505	6.3
225.08989	2.8
226.06241	0.8
226.09908	0.4
227.07132	0.3
227.10683	2.6
236.04814	0.1
237.05508	0.3
237.09099	1.0
238.09909	1.7
239.07040	2.4
240.07829	19.8
241.08600	2.6
250.06184	0.2
252.07819	1.7
253.04993	0.3
253.08588	0.4
254.09395	7.1
255.10178	59.7
256.10596	0.4
265.08606	1.2
267.06555	0.2
268.07343	0.7
268.10995	0.5
269.08136	0.5
282.08746	0.8
283.09665	31.6
284.10098	0.4
298.12006	100.0
299.12537	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1441
Annotation	Anibacanine
Peak:m/z	Relative Intensity
55.01879	0.3
55.05508	0.8
61.01144	0.8
65.03938	0.2
65.64616	0.2
67.05522	1.5
69.03451	0.9
69.07095	0.2
70.06597	0.4
71.04990	0.3
72.07812	0.3
72.08170	3.5
75.02699	0.3
79.05502	2.6
81.03403	0.6
81.07063	1.1
83.04987	0.4
84.08144	0.5
90.05560	0.2
91.05495	1.5
93.07056	1.4
95.04981	0.9
95.08607	0.4
96.04525	0.2
97.02886	0.4
97.06540	0.3
99.04490	0.2
105.07056	1.6
107.04967	3.7
107.08611	0.9
109.02882	0.3
109.06507	0.5
110.07160	0.2
111.04459	0.3
117.07014	0.8
119.08599	0.5
120.08120	0.3
121.06501	0.3
121.10175	0.2
122.06020	0.2
124.03949	0.4
129.07050	0.2
131.08607	1.3
133.06508	0.5
133.10152	0.3
134.06044	0.5
134.07285	0.2
135.06827	0.3
135.08067	0.9
135.11682	0.3
136.06206	16.0
145.03178	0.3
145.06456	0.3
145.10135	1.6
146.06006	0.3
147.11707	0.2
148.07555	1.0
149.05954	0.3
149.08392	0.7
149.09644	0.7
151.07510	0.3
154.05002	1.3
154.08641	0.2
160.07655	1.0
162.05511	0.4
162.09151	0.8
163.04317	0.3
163.07549	0.8
163.11272	0.5
166.12285	0.2
167.10719	0.2
172.09633	0.2
174.05498	0.3
176.07085	1.4
177.07864	1.7
190.08685	2.0
191.09357	0.5
191.10741	0.5
192.10199	0.2
195.07999	0.3
201.07950	0.3
202.08653	0.3
206.15434	1.7
208.13400	0.2
209.11858	0.4
210.09224	0.3
212.12796	0.3
222.08977	0.2
223.07582	0.6
224.16454	0.6
226.08630	0.2
226.12267	1.0
226.14391	0.4
227.09431	0.4
236.10706	0.3
238.12262	0.6
240.10165	1.2
244.16893	0.2
250.08472	0.2
254.11790	6.9
255.12560	2.7
262.18079	2.1
264.10233	0.3
266.11807	1.1
268.09778	1.6
280.15820	0.4
280.19119	4.5
282.11267	3.6
283.12076	21.8
287.94003	0.2
298.14404	100.0
299.14694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0972
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
55.05527	0.6
57.03420	0.2
58.06588	0.3
61.01161	4.8
67.05499	0.4
69.03432	0.6
70.06593	0.3
71.51653	0.2
72.08167	2.2
74.86743	0.1
75.02323	0.2
75.02716	2.5
79.05514	0.7
81.03413	0.3
81.07048	0.7
83.04972	0.5
84.08131	0.2
86.09682	0.2
91.05486	0.5
93.07055	0.4
94.04053	0.4
95.04965	0.3
97.02899	1.6
97.06516	0.2
100.04006	0.2
103.02191	0.3
105.07048	0.8
105.70289	0.1
107.04923	0.3
107.08614	0.3
109.05003	0.1
109.06561	0.2
115.03978	0.2
117.06992	0.2
119.03550	0.7
119.08601	0.4
121.10126	0.2
122.35774	0.1
131.08549	0.3
133.10074	0.1
135.11705	0.3
136.06201	100.0
137.04642	0.3
139.03949	0.2
145.03174	1.2
145.10129	1.2
147.07965	0.1
147.11707	0.3
149.09657	0.2
154.05028	0.7
154.08684	0.2
162.09190	0.1
163.04271	1.5
163.11243	0.5
172.78688	0.1
173.09642	0.2
177.07831	0.1
182.11864	0.3
183.81712	0.1
191.10786	0.2
209.11790	0.1
254.11815	0.4
262.18042	0.8
280.19098	2.5
282.11328	0.3
283.12143	0.8
298.09747	4.9
298.14410	3.5
298.19702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.115
Annotation	Nelarabine
Peak:m/z	Relative Intensity
55.01870	0.3
55.05509	0.4
56.80705	0.2
56.96569	1.1
57.03427	1.0
58.06588	0.6
59.04759	0.3
59.05012	4.0
61.01144	0.7
61.02920	0.5
64.22405	0.2
67.91324	0.2
69.03448	1.0
69.82355	0.6
69.82756	0.6
70.06590	0.5
72.08152	0.4
73.02921	0.5
73.06561	0.3
73.93079	0.2
75.02699	0.3
81.03421	0.3
83.04989	0.4
84.08175	1.2
84.96055	0.2
85.02922	2.1
87.04480	0.4
94.64923	0.3
95.06114	0.5
97.02876	1.0
98.97600	5.1
100.15224	0.2
101.06036	6.3
104.02567	0.2
104.36391	0.3
109.05117	0.9
110.03546	0.8
110.07178	0.2
110.97568	0.5
116.98651	2.0
119.07079	2.5
119.52171	0.2
121.10964	0.2
124.03970	2.2
124.99171	0.2
127.03912	0.7
128.04608	0.6
128.98593	0.3
130.08644	0.8
133.02782	0.4
134.99672	0.5
135.03067	1.1
136.06204	12.1
136.09718	0.5
137.05930	0.5
145.04955	0.3
147.04402	0.4
149.04619	6.7
149.05815	0.2
151.03923	2.6
152.05699	10.3
153.04108	1.8
154.05023	0.3
158.99678	0.5
163.03937	0.9
165.04852	0.5
166.07266	100.0
167.04253	0.3
167.05667	4.9
167.07042	0.4
167.07719	0.2
178.09729	0.2
180.08652	0.3
182.03343	0.2
193.04367	3.4
193.10889	0.8
202.05026	0.4
207.58960	0.2
221.74557	0.2
229.05397	0.2
237.02910	0.3
239.11418	0.8
256.96609	0.5
265.04095	0.4
265.06564	1.0
274.07071	2.3
274.97543	2.3
280.07709	0.5
280.11813	0.4
292.98572	0.9
297.63260	0.4
298.09305	1.2
298.17227	0.8
300.06674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60709	0.1
65.10128	0.1
68.75115	0.1
70.86368	0.3
71.46241	0.1
72.08168	0.3
90.09731	0.1
117.67915	0.1
136.06189	0.4
152.06178	0.3
153.06973	0.1
155.08493	0.1
165.07028	1.1
166.07793	0.2
167.08594	0.4
169.06476	1.4
177.07066	0.2
181.06485	5.4
182.07272	1.0
183.08104	0.9
184.05084	0.1
184.08768	0.2
193.06509	0.2
194.07286	1.4
194.57524	0.1
195.08072	3.1
196.05121	0.1
196.08842	2.1
197.06000	6.6
198.06787	0.3
208.05264	0.2
209.05997	5.4
209.07941	0.3
210.06781	1.3
210.18613	0.1
211.07556	7.7
212.08328	4.6
213.09097	0.2
221.05971	1.0
222.06778	1.4
223.07536	0.7
224.08331	26.0
225.05492	6.1
225.08980	2.5
226.06233	0.5
226.09953	0.3
227.10664	2.3
237.05426	0.3
237.09035	0.8
238.09918	1.6
239.07018	2.6
240.07826	18.6
241.08580	2.7
252.07869	1.5
253.04974	0.2
253.08650	0.5
254.06635	0.3
254.09395	7.1
255.10176	58.4
256.10477	0.3
265.08585	1.2
267.06488	0.2
268.07385	0.7
268.10922	0.6
269.08115	0.3
281.25952	0.2
282.09012	0.7
283.09668	33.6
284.10184	0.4
298.12009	100.0
299.12506	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	8.2
69.96852	1.8
70.06594	0.6
71.30847	0.4
71.95265	2.3
76.68412	0.5
80.70016	0.4
84.08147	1.5
86.09678	0.4
93.26848	0.4
93.83905	0.4
98.97588	100.0
110.97603	0.4
116.98627	33.5
130.93304	0.9
134.99655	4.6
136.06210	2.6
140.00211	0.7
140.02655	0.4
166.07286	1.9
172.94365	6.0
190.95441	2.7
197.95149	0.4
208.05005	0.6
208.96561	0.6
214.95374	4.1
232.96483	5.1
236.37283	0.6
250.97533	2.0
256.93680	1.0
256.96436	19.7
273.99094	0.5
274.97513	78.6
292.98578	32.4
293.03799	1.2
297.99197	1.3
316.00125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
55.05507	0.2
55.57618	0.1
68.99782	0.2
69.07074	0.1
71.37875	0.1
71.38203	0.1
81.52180	0.1
93.07030	0.2
121.06517	0.1
136.06169	0.6
141.07005	1.0
143.08589	0.2
147.14615	0.2
152.06203	0.1
152.62418	0.1
153.07030	0.9
157.06499	1.1
165.06972	0.2
168.05707	0.4
169.05156	0.1
169.06497	2.9
171.04448	0.6
171.08046	0.3
172.05103	0.2
181.06476	1.2
182.07349	0.1
183.04376	0.5
183.08015	0.3
195.04375	0.2
196.05153	0.3
197.05998	14.0
198.06706	0.6
199.03943	0.2
199.07565	1.0
201.09129	0.6
207.04446	0.6
209.05956	1.2
210.06734	0.2
211.03918	0.5
211.07562	0.5
212.04779	0.4
212.08336	4.2
213.05475	0.3
213.09053	0.6
215.07059	0.8
216.07906	1.1
224.04605	0.2
225.05479	9.6
226.06242	2.0
227.07079	2.1
229.08737	0.1
236.04684	0.2
237.05482	3.0
238.06256	1.2
239.03363	0.2
239.07083	0.4
240.04253	0.9
240.07716	0.5
241.05006	1.2
241.08662	1.6
242.09076	0.2
243.06584	0.3
252.07607	0.2
252.16026	0.1
253.05022	1.2
254.05759	18.2
255.06538	14.7
256.07007	0.2
265.04987	2.5
267.06528	1.1
268.03848	0.2
268.07175	0.6
269.04498	1.1
269.08102	1.8
270.08844	0.8
280.03726	0.2
280.15442	0.6
282.05252	2.6
283.06039	13.1
284.06619	0.2
297.07559	0.4
298.08371	100.0
299.05511	0.2
299.08710	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
52.03165	0.2
53.03941	0.5
55.01867	0.5
55.05483	0.2
60.04512	0.2
61.01149	0.2
65.03941	1.0
66.59943	0.1
66.89694	0.1
67.05510	1.3
67.79566	0.1
69.03454	0.2
69.10244	0.1
69.14117	0.1
70.06593	1.3
71.01364	0.3
71.05814	0.2
71.06130	0.2
71.06897	0.2
72.08145	0.7
74.06077	0.2
75.02733	0.2
81.03436	0.2
83.04987	0.2
84.04507	2.7
84.08150	0.7
85.02903	0.5
86.09697	0.2
91.05482	0.2
95.01378	0.2
95.04961	0.6
102.05553	1.1
105.03415	0.4
105.04527	0.3
106.03713	0.5
108.02103	1.7
109.02909	0.3
110.07198	0.4
111.04446	0.5
112.01571	0.2
119.43790	0.2
120.08130	0.2
121.04022	0.3
121.06497	0.4
123.04404	0.3
129.10240	0.4
130.04042	0.3
130.05006	5.5
130.08687	0.2
136.01563	0.4
136.03951	0.6
136.06204	3.6
141.05479	1.5
150.05479	1.0
151.03917	100.0
151.04991	7.2
152.04231	0.6
154.04967	1.1
168.06590	1.3
173.05469	0.1
191.09430	0.3
193.10843	0.3
233.17256	0.2
239.11516	0.3
254.13847	0.3
260.33420	0.2
266.13998	0.9
280.08350	0.3
280.15195	0.2
298.09329	1.0
298.16556	2.8
298.19467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.3154
Annotation	Isophytol
Peak:m/z	Relative Intensity
53.03931	1.9
54.12795	1.3
55.05515	39.3
57.07082	69.9
57.95447	1.2
58.07412	1.9
65.07883	1.3
67.05496	3.5
69.07075	85.0
71.08638	63.6
71.53242	1.9
81.07048	4.3
83.08627	61.7
85.10188	36.0
86.09708	17.1
87.10034	7.3
95.08607	2.8
97.10180	52.5
98.13020	1.5
99.11738	4.9
101.09675	2.0
109.10184	1.8
111.11728	32.2
111.67110	1.3
113.13287	4.0
121.05631	1.4
125.13263	12.5
127.14817	1.9
139.14783	2.6
157.60152	1.6
173.95972	1.8
256.26321	2.2
297.29828	100.0
307.76282	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	7.5
63.22895	0.5
65.67131	0.4
69.57035	2.5
70.35621	0.6
70.53693	0.4
70.54097	0.4
70.95872	1.0
71.95264	2.2
72.10920	0.5
77.94657	0.4
98.97594	100.0
101.00892	0.7
109.48676	0.5
116.98633	31.9
119.01894	0.6
130.93251	1.2
134.99680	4.9
140.00218	0.6
172.94368	6.1
190.95366	2.9
208.96136	0.8
214.95393	2.9
219.02113	1.0
232.96404	6.2
241.95912	0.5
250.97403	1.8
251.49301	0.8
256.96460	16.9
258.96579	0.6
261.03094	1.7
263.00171	0.7
263.50052	0.6
274.97516	72.9
275.04211	3.6
292.98569	33.1
297.99167	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2426
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.09785	1.9
55.01869	4.9
55.05509	15.0
57.03434	4.5
57.07082	10.9
61.67155	2.0
62.06080	8.3
67.05189	2.4
67.05513	39.0
69.07074	17.9
69.97028	5.1
69.97447	5.9
71.04991	4.4
71.08640	100.0
72.08147	3.6
79.05494	16.9
81.07065	60.9
83.04991	3.6
83.08627	14.5
85.06525	5.2
91.05499	17.3
93.07046	19.5
95.05003	2.3
95.08060	3.7
95.08620	46.9
97.06512	5.4
97.10163	9.6
98.20715	2.1
99.08105	85.3
104.31210	2.0
105.07047	16.8
107.08594	14.0
109.10152	17.8
111.08100	3.0
119.08576	13.2
120.96207	2.2
121.10178	14.4
123.08119	2.4
123.11695	9.8
127.11201	4.2
131.08572	6.9
133.10146	3.7
135.11742	14.7
137.13234	8.0
139.11186	3.0
144.74010	2.1
145.10130	8.0
147.11711	42.7
149.13297	3.8
153.12799	10.1
155.10680	2.1
161.09599	2.3
161.13300	7.1
163.11172	7.1
163.14819	20.3
165.12764	13.4
167.14381	4.5
169.12270	8.6
173.13275	5.9
181.15863	9.4
183.13666	2.3
233.22687	2.7
243.21127	14.1
251.23714	3.4
261.22217	22.7
279.23187	84.3
280.26239	2.4
297.11157	3.5
297.24234	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	297.2427
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.03923	1.8
53.59779	1.7
55.01868	8.5
55.05518	63.6
57.03434	2.8
57.07082	9.2
67.05509	71.7
69.03433	5.8
69.07073	50.7
71.05001	4.7
71.08637	8.2
79.05501	34.4
81.07063	82.0
83.04985	7.0
83.08626	33.2
85.06542	7.5
91.05479	9.8
93.07050	28.3
95.04961	2.5
95.08612	62.2
97.06517	11.1
97.10175	43.2
98.20699	2.5
99.08114	2.8
105.07043	7.6
107.08596	35.6
109.06530	1.7
109.10162	46.8
111.08081	4.5
111.11725	4.1
113.09689	3.1
113.74632	2.1
117.07026	5.7
119.08609	6.3
121.10148	16.3
123.11720	16.9
125.09631	28.8
131.08585	5.1
133.10150	5.1
135.08127	4.5
135.11705	20.2
137.09674	2.1
137.13257	15.7
145.10138	4.4
147.11678	3.8
149.13280	8.8
151.11234	3.5
151.14848	4.5
153.09151	2.8
153.12764	11.1
159.11732	3.1
161.13289	5.1
163.11211	2.4
163.14803	5.1
165.12811	2.6
171.10150	2.7
173.11789	4.8
173.13306	7.9
175.03935	2.7
175.14822	4.4
177.16434	4.1
181.12167	2.6
183.13817	15.9
187.14894	4.4
189.11223	24.2
191.14348	2.1
193.15788	2.7
195.13875	3.9
209.15340	2.6
209.19025	5.0
223.16982	4.0
233.22615	3.4
234.36218	1.8
243.21086	13.7
248.54085	2.0
251.07248	1.9
251.23715	3.0
258.54675	2.3
261.22156	30.2
279.23221	100.0
280.26431	7.6
297.11166	2.9
297.18799	2.4
297.24399	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	297.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01868	2.3
55.05499	7.0
65.03938	2.4
67.05506	21.4
69.03404	2.0
69.07056	6.8
70.06575	3.8
71.04992	9.1
71.07055	3.4
72.08172	1.8
79.05490	18.3
81.03431	2.3
81.06596	3.7
81.07060	71.1
82.70295	2.1
83.04961	2.4
83.08610	4.8
85.02885	2.0
85.06557	17.5
91.05491	20.3
93.07034	20.7
95.04955	6.2
95.08060	2.8
95.08615	31.6
95.46339	1.8
97.06522	2.4
103.05445	2.5
105.03416	18.6
105.07037	27.5
107.04965	3.1
107.08598	22.1
109.02889	2.0
109.06535	3.7
109.09603	1.6
109.10178	18.8
113.09699	3.7
115.05420	2.7
117.07020	23.0
119.08582	16.0
121.06415	2.2
121.10146	12.5
123.08044	2.5
123.11692	7.2
125.09618	2.5
128.06154	2.7
129.06993	14.3
130.07791	2.0
131.08582	34.4
133.10143	15.7
135.11676	7.5
137.09612	4.5
141.06979	6.3
142.07777	13.4
143.08569	15.1
144.09288	1.9
145.06483	2.2
145.10130	44.2
147.04391	4.9
147.11690	17.6
149.09625	2.3
149.13237	3.0
151.11153	2.7
155.08545	19.8
155.25346	1.7
155.70920	1.7
157.10141	63.1
159.11700	37.7
161.13293	4.3
167.08546	4.1
169.10123	7.2
171.11687	16.1
173.13260	14.3
175.03909	24.4
181.10086	6.4
183.11716	17.1
185.13251	11.8
187.14780	1.8
189.12796	3.3
194.07133	2.3
195.11685	9.7
197.13264	12.4
199.07558	2.4
199.14821	3.8
205.06525	2.5
207.07965	1.9
209.13297	13.6
211.14825	5.7
213.16354	7.9
215.14378	5.8
217.15807	2.5
222.06715	2.3
223.07518	2.5
223.14839	16.3
227.14427	2.4
227.18019	3.7
229.15790	2.3
237.09140	5.1
237.16351	5.2
239.17978	6.5
251.17920	3.0
253.19556	22.7
265.08606	11.2
269.18909	2.3
278.55322	1.9
279.21057	46.2
280.10516	5.5
280.15836	2.0
282.08890	3.1
297.07956	2.6
297.11169	15.1
297.14874	6.9
297.22128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2215
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
53.03943	2.0
55.05512	8.1
56.96553	1.4
57.07063	2.5
59.05011	1.2
65.03956	1.5
67.05510	19.8
69.03433	1.8
69.07068	5.5
70.06590	1.2
71.05006	10.5
71.08615	1.8
71.17710	2.4
71.78648	1.2
72.08140	2.6
79.05495	17.1
81.03403	1.9
81.07059	73.5
83.04996	1.8
83.08622	1.7
84.08141	1.8
85.02895	2.0
85.06543	17.7
91.05480	28.2
93.07053	22.3
94.13176	1.6
95.04955	3.0
95.08610	24.4
97.02939	1.7
97.06560	1.8
97.10162	1.4
99.08102	1.9
100.11246	1.3
105.03405	10.4
105.07037	26.7
107.08603	20.8
109.02958	1.3
109.06503	1.9
109.10163	13.8
111.08102	3.4
113.09623	3.3
115.05464	2.6
117.07028	18.1
119.08580	16.2
121.10139	11.0
123.04408	1.6
123.08051	1.4
123.11723	3.3
125.09618	1.9
128.06255	3.0
129.07021	13.1
130.07777	2.4
131.08574	32.9
133.10141	16.6
135.04416	3.2
135.08005	1.3
135.11728	7.2
137.09622	4.6
141.07031	3.8
142.07779	12.4
143.08572	13.8
144.09337	2.1
145.06505	4.1
145.10133	42.3
147.04384	2.0
147.11696	16.4
149.09593	2.8
149.13229	2.6
150.86334	1.3
151.11191	2.1
153.07018	1.5
155.08569	23.4
155.43710	1.3
157.06543	1.6
157.10143	58.8
159.11699	44.4
161.13284	4.5
165.07036	3.0
167.08557	3.5
169.10144	10.0
171.11694	15.4
173.13290	12.4
175.03941	5.5
175.14900	3.1
177.12701	1.9
179.08546	3.3
180.09293	1.6
181.06560	2.0
181.10088	6.6
182.10893	1.8
183.11694	21.0
185.13240	14.9
187.14882	3.4
189.12764	2.2
191.14429	1.4
195.11734	11.4
197.13252	13.8
198.14058	1.6
199.14841	5.8
205.06590	3.1
209.09668	1.5
209.13286	15.7
211.14815	5.7
213.16405	5.9
215.14322	4.7
216.62630	1.3
217.15872	1.6
223.14830	17.6
225.16237	1.6
227.17986	3.4
229.15887	3.0
231.17336	3.2
237.09103	4.5
237.16409	6.9
239.17899	8.0
241.15858	1.4
250.17195	1.7
251.17911	4.8
253.19548	21.4
254.05733	1.7
264.18808	2.5
265.08615	8.3
279.21075	47.5
280.10339	6.2
282.08771	4.4
297.07574	5.3
297.11176	15.8
297.14648	2.0
297.22137	100.0
298.08304	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	297.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.8
53.78130	3.3
55.01865	9.0
55.05499	13.3
57.03445	24.8
60.04530	3.8
61.02916	9.9
67.05505	32.4
68.45370	3.4
69.03442	56.6
69.07066	12.7
69.29730	12.1
69.30154	16.2
71.01353	4.8
71.04982	12.2
73.02914	13.4
74.35660	3.4
79.05519	26.7
81.03421	29.1
81.06642	5.3
81.07061	50.5
81.58105	3.2
83.04974	12.5
83.86910	3.5
85.02918	66.2
87.04490	4.7
91.05485	32.7
93.07053	99.5
95.04964	15.3
95.08620	44.8
97.02908	36.6
97.06551	9.8
99.04462	20.2
103.03934	8.6
105.07034	55.5
105.61230	3.6
107.04951	11.5
107.07879	5.1
107.08601	88.7
109.02875	10.5
109.06498	12.9
109.10166	34.0
111.04445	9.8
114.77163	3.6
115.03924	7.3
116.37003	3.3
117.07011	15.7
117.44372	3.5
119.07808	4.3
119.08597	41.9
121.06494	10.6
121.10155	67.8
123.04427	10.4
123.08054	10.9
123.11701	17.9
125.06013	4.8
127.03900	21.8
129.07013	9.4
131.08551	19.7
133.06456	6.8
133.10127	41.6
135.08105	8.4
135.11707	100.0
137.06046	5.5
137.09631	10.0
141.07013	4.5
143.08559	10.1
145.04993	8.5
145.10106	26.5
147.08084	8.5
147.11691	43.4
147.55464	3.7
149.09595	5.3
149.13263	9.3
151.11200	11.0
153.12753	45.7
155.08498	7.4
157.10121	11.1
159.08093	7.6
159.11681	20.6
161.09608	6.5
161.13213	6.3
163.11258	9.4
165.12723	8.2
171.11674	9.9
173.13245	7.0
175.11182	11.3
177.12724	21.0
183.11760	5.5
187.11266	7.7
189.12766	15.2
201.12740	10.2
207.13751	4.4
215.14343	6.7
219.13824	10.4
231.13818	12.6
237.09088	3.9
243.13846	14.9
249.14900	6.0
254.17574	5.5
261.14960	30.7
265.08664	9.6
279.15924	30.9
282.08615	4.3
297.07443	15.0
297.11246	17.2
297.16989	76.3
298.20099	8.7
299.05936	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	297.1487
Annotation	5-Deoxyprotobruceol I regioisomer
Peak:m/z	Relative Intensity
55.05516	0.3
55.58552	0.2
57.01976	0.2
57.07063	0.6
62.75334	0.2
63.88472	0.2
64.40008	0.2
65.03954	0.4
67.05515	1.8
69.07072	0.3
69.18668	0.5
69.19080	1.5
72.08163	0.3
79.05492	1.1
80.47440	0.2
81.07064	3.3
83.04970	0.4
83.08632	0.2
91.05489	8.3
93.07047	1.7
95.08057	0.3
95.08614	3.1
103.05488	0.4
105.03394	0.5
105.07051	1.1
107.08608	1.0
109.10167	7.0
117.06982	0.2
119.04956	4.2
121.02849	0.3
121.06490	0.3
121.10161	3.4
122.10915	0.2
123.11722	9.2
133.06517	0.5
133.10120	0.2
135.11711	1.3
137.80449	0.2
147.04424	18.3
159.04462	0.3
163.03949	0.5
173.06046	0.6
175.03922	100.0
176.04231	0.4
177.05513	1.2
189.05476	4.5
199.03914	0.7
199.07555	0.3
201.05510	1.0
203.07024	1.8
213.05525	0.5
215.07016	0.3
216.06554	0.4
217.08667	1.1
227.07156	0.4
229.08632	0.3
241.08606	2.7
255.10210	1.6
297.14871	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1487
Annotation	5-Deoxyprotobruceol I regioisomer
Peak:m/z	Relative Intensity
51.66444	0.2
54.06444	0.2
55.05515	0.3
56.29329	0.3
57.07098	0.2
65.03953	0.3
67.05515	1.9
68.28088	0.2
69.07079	0.4
71.52861	0.4
71.53223	0.2
72.08173	0.3
79.05486	1.0
81.07062	3.6
83.04987	0.2
91.05489	8.5
93.07060	1.4
95.08616	3.4
99.57933	0.3
103.05489	0.3
103.08585	0.2
105.03408	0.9
105.07027	0.7
107.08601	1.3
109.09397	0.3
109.10170	6.9
115.05412	0.3
118.81791	0.3
119.04957	3.7
121.09332	0.4
121.10157	4.6
123.11720	10.7
128.06339	0.2
133.06535	0.3
135.11711	1.5
145.06451	0.4
147.04425	18.4
159.04453	0.4
163.03972	0.5
167.49313	0.2
173.06042	0.4
175.03923	100.0
176.04254	0.3
177.05467	1.5
185.06009	0.3
187.03835	0.3
189.05507	4.5
199.03984	0.7
199.92230	0.3
201.05534	1.1
203.07088	1.8
213.05554	0.5
215.07042	0.6
216.06566	0.4
217.08656	1.6
227.07071	0.5
229.08661	0.4
236.68674	0.2
237.09171	0.3
239.07088	0.4
241.08572	2.1
255.10088	1.5
265.08560	0.6
267.06610	0.3
297.07639	0.7
297.11365	1.1
297.14856	21.3
298.08414	0.9
298.75220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2584
Annotation	Tetrahydrobungeanool
Peak:m/z	Relative Intensity
51.76056	0.7
53.03718	1.2
53.03950	17.1
55.01878	6.5
55.05516	12.7
55.05773	0.8
57.03418	1.2
57.07079	4.5
67.05510	16.5
67.05849	0.7
69.07072	25.7
71.08619	2.7
72.08162	24.1
72.91148	0.7
79.05492	15.4
81.03421	54.2
81.07059	16.3
83.04988	7.0
83.08619	12.9
87.75641	0.9
91.05476	5.7
93.07053	7.6
95.04974	21.8
95.08607	13.0
95.29928	1.0
97.10193	1.6
98.21624	1.6
101.09663	3.3
105.07037	4.2
107.08598	8.4
109.06513	3.1
109.10157	6.0
109.87209	0.8
119.08563	5.4
121.10185	5.0
123.08073	2.5
123.11732	2.3
133.10150	4.7
135.11722	2.5
137.09583	1.0
145.28085	0.8
147.11679	2.9
151.11111	1.0
163.14911	1.1
186.11279	0.9
189.16368	3.4
207.17448	39.9
229.34625	1.1
233.22566	0.9
242.64922	0.8
243.21097	1.3
261.22168	2.0
278.24802	100.0
279.23212	2.5
296.25925	7.8
296.33176	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2587
Annotation	Tetrahydrobungeanool
Peak:m/z	Relative Intensity
53.03939	1.2
55.01885	4.0
55.05269	1.0
55.05514	14.4
57.03434	2.1
57.07080	40.2
59.05006	1.4
60.04539	6.4
62.71410	0.7
67.05508	12.1
69.03437	3.3
69.07077	11.3
70.04255	1.5
70.04646	1.3
71.05000	11.4
71.08640	7.9
72.08162	3.8
74.09724	51.6
79.05495	9.9
79.30502	0.6
81.03389	1.4
81.07063	24.9
83.04490	1.0
83.04989	18.1
83.08627	15.4
83.99884	0.7
85.06552	1.2
91.05482	3.1
93.07053	11.8
95.04983	1.4
95.08613	24.2
97.02925	0.8
97.06530	3.2
97.10185	11.1
99.08089	1.0
100.07600	0.7
105.07030	2.4
107.04935	1.0
107.08599	4.9
109.10164	10.1
111.08104	1.0
116.10751	17.9
116.11596	0.6
117.07014	0.9
119.08597	1.4
121.06512	1.4
121.10152	6.2
121.97479	0.7
123.11697	5.1
125.06071	0.6
125.09676	0.7
128.44955	0.7
131.08603	0.8
135.11697	1.2
137.13286	1.9
141.12744	1.2
142.08635	0.9
143.08592	1.1
147.07965	0.7
150.05824	0.8
156.13847	4.3
158.11786	0.8
161.13324	0.9
163.14827	5.4
170.11777	3.5
179.17950	8.3
181.15886	54.0
182.15558	0.9
189.09163	0.9
195.43513	0.6
197.18967	4.8
223.17020	1.0
228.79459	0.7
260.16562	1.5
278.17523	3.1
278.24805	16.3
279.23157	1.3
296.25870	100.0
319.86325	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2586
Annotation	Tetrahydrobungeanool
Peak:m/z	Relative Intensity
52.26283	1.6
53.03935	3.1
55.05510	11.9
57.03429	2.5
57.07082	14.2
67.05507	16.5
69.03419	4.6
69.07072	13.4
69.17709	1.7
70.06579	2.3
71.04979	2.1
71.08631	48.4
71.53337	1.7
71.53746	1.7
72.08150	23.4
74.09706	3.7
79.05496	22.2
81.03403	2.2
81.07060	100.0
83.04965	5.4
83.08623	7.6
83.86742	1.6
85.06528	1.9
87.77619	1.5
91.05499	8.4
93.07046	16.7
94.02932	11.7
95.04977	3.8
95.08604	24.4
97.06516	3.6
97.10160	5.2
98.55500	1.5
99.08098	74.0
105.07008	6.3
107.04984	1.7
107.08595	13.1
109.06493	4.3
109.10160	11.1
117.07030	3.9
119.08555	6.1
121.06492	10.6
121.10123	7.5
123.08101	2.9
123.11703	4.0
125.09712	2.4
131.08571	4.7
133.10141	3.8
135.08080	3.7
135.11673	8.0
145.10114	5.9
147.08130	1.7
147.11671	5.9
149.09634	7.5
149.13234	7.3
153.09108	2.3
161.09717	2.6
177.16377	15.1
179.17955	5.7
187.14818	6.2
189.09210	2.5
195.17450	73.8
205.15875	42.1
223.16917	11.2
260.16544	3.2
278.17447	7.2
278.24796	13.6
279.23105	3.2
296.25854	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	296.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.9
55.01862	1.6
55.05513	10.2
56.05034	1.9
57.03436	3.4
57.07078	32.9
67.05512	16.3
69.03420	2.9
69.07056	3.9
70.06593	4.2
71.04995	2.0
71.41570	1.5
71.48133	2.2
72.04507	2.2
72.08170	8.8
74.06088	10.1
74.09715	2.7
79.05070	1.8
79.05503	27.6
81.03410	5.1
81.07065	64.0
83.04979	4.1
83.08634	1.8
86.78616	1.3
91.05492	16.7
92.00096	1.3
93.07050	100.0
95.04964	6.1
95.08616	9.3
97.06531	2.8
98.06063	34.5
99.04457	2.3
100.07691	1.6
105.07030	8.7
107.04958	2.6
107.08604	13.6
109.06532	1.3
109.10141	6.5
110.06052	1.4
117.06994	2.8
118.40546	1.3
119.08562	3.1
121.06499	9.8
121.10155	48.1
123.08089	2.7
123.10830	3.2
123.11717	56.0
125.06050	1.9
126.12792	2.8
127.03909	1.3
128.06221	2.2
130.12273	3.4
131.08588	7.9
133.10120	1.7
137.09566	1.4
140.10721	1.9
143.08557	1.9
147.08093	3.3
149.09633	27.7
154.12292	17.8
161.09641	2.3
162.83759	1.4
166.12282	2.7
167.10657	2.6
189.09160	3.0
207.10170	1.9
210.18550	51.7
222.18547	27.0
240.19594	37.8
260.16370	2.7
278.17581	8.5
278.24847	3.4
296.10385	3.1
296.18732	3.1
296.22260	56.1
296.25790	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	296.2223
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
55.05494	1.9
56.08575	0.5
57.03427	0.6
59.04984	1.7
67.05501	1.3
69.03474	0.5
69.07055	1.2
70.06593	0.8
71.04992	0.4
72.08167	2.0
72.21584	0.4
79.05476	1.6
81.07044	2.0
82.06599	0.5
83.04965	0.7
83.08617	0.5
84.08123	1.5
86.09718	0.5
90.16052	0.4
91.05482	1.0
93.07066	2.9
95.08598	1.9
96.08109	0.6
100.02509	0.4
101.06031	2.2
101.95663	0.4
102.09180	0.5
105.07006	0.9
107.08617	2.4
108.08132	8.9
109.02833	0.6
109.08878	1.0
109.10136	0.7
110.09721	2.1
119.08628	0.6
120.08128	4.0
120.61648	0.5
121.06473	0.6
122.09684	7.9
123.10439	1.4
124.11221	0.6
130.08647	0.7
133.95398	0.4
135.11703	3.3
136.11237	2.3
137.13281	0.9
148.11203	0.4
150.11653	0.8
150.12801	14.7
151.13593	5.8
152.14351	6.0
153.12758	0.5
153.15182	0.5
161.13226	0.7
164.04317	0.6
164.14343	1.0
166.12323	0.6
178.15921	1.8
180.10226	2.0
184.13322	1.0
184.19069	0.4
198.14908	2.3
206.19101	3.6
208.13354	0.9
210.14949	0.7
218.08101	1.4
222.14955	3.0
223.15565	0.5
224.20103	0.9
236.09096	2.1
241.83215	0.5
250.18219	1.1
250.21640	0.5
252.19615	100.0
253.07141	0.7
253.19936	0.6
254.21164	5.0
278.13910	0.9
296.06302	2.8
296.09488	3.6
296.22235	84.5
297.07715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2223
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
55.05515	0.7
56.05042	0.4
56.08413	0.4
56.27662	0.3
57.06842	0.6
57.07086	7.4
67.05511	1.8
69.03426	0.4
69.07059	1.5
69.83726	2.0
70.06601	9.8
71.08643	8.5
79.05481	1.4
80.05023	0.6
81.07065	4.5
82.06570	0.4
83.08606	0.8
85.10189	4.8
93.07045	1.0
94.06554	0.6
95.08624	5.2
96.07569	0.6
96.08144	8.9
97.10136	0.6
98.06071	0.7
106.06580	3.5
110.81614	0.4
114.05502	0.4
114.09183	3.2
120.08116	1.3
124.07610	3.0
130.39200	0.4
134.09648	0.7
138.09213	0.8
140.07076	0.7
142.08649	36.2
155.14290	0.7
175.54865	0.3
180.83755	0.4
222.22336	0.4
232.20624	2.2
236.09982	0.4
250.21701	25.6
264.16135	0.4
270.84424	0.4
278.21716	0.8
296.22232	100.0
297.22580	0.6
318.06293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19155	0.6
53.03951	3.7
55.01871	3.8
55.05515	16.5
56.05032	1.0
57.03157	0.8
57.03440	11.8
63.40228	0.6
65.03941	1.0
67.05502	6.6
69.03436	21.5
69.07072	5.7
70.06573	1.7
70.87006	1.9
71.04995	1.2
71.07378	4.4
72.08158	36.9
79.05501	28.6
79.05973	1.4
81.03426	4.2
81.07065	6.7
83.04985	100.0
90.24938	0.6
91.05482	11.5
93.07056	4.8
95.04982	18.1
95.08617	1.2
95.67918	0.6
96.04521	1.1
97.02875	1.1
97.06529	16.6
98.06084	1.6
99.04459	1.1
103.05488	1.9
105.04532	1.4
105.07041	2.7
107.04966	5.2
107.08581	0.6
109.06522	1.1
117.07040	2.8
119.08572	3.3
121.06514	9.1
125.05990	10.4
128.06232	1.1
129.07030	1.4
133.10141	0.7
133.69119	0.6
139.09950	3.0
140.10753	1.1
143.07037	1.4
143.08577	0.8
145.08496	0.8
147.08040	2.4
161.09647	0.7
176.19864	0.7
182.11839	1.1
196.13341	15.4
278.17535	7.0
278.20734	0.9
279.10260	1.5
291.08081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14893	1.4
51.02387	1.4
51.60181	1.4
53.03948	15.4
55.01876	11.6
55.05511	16.4
56.05037	3.4
56.96572	1.9
57.03432	2.6
58.06601	2.0
65.03944	2.3
67.05511	16.9
69.03442	16.2
69.07073	5.0
70.06590	6.3
70.49353	4.7
71.07378	11.0
71.96680	1.4
72.07756	3.6
72.08160	59.1
78.59068	1.4
79.05497	23.8
80.41830	1.4
81.03423	100.0
81.07055	15.1
82.04195	2.7
83.04984	15.2
85.02910	2.3
91.05494	34.6
93.03409	2.2
93.07047	23.1
95.04971	16.1
95.08613	5.0
96.04504	2.2
97.06548	9.2
98.06060	5.3
98.97608	2.0
103.05476	9.6
105.03409	5.9
105.04509	4.0
105.07050	16.7
107.04974	8.1
107.08604	3.7
109.06547	3.7
111.04426	1.9
115.05479	1.9
117.07025	8.6
119.04960	1.5
119.08596	9.0
121.06515	78.4
121.10198	2.3
123.04438	2.3
125.05997	4.6
126.09150	1.6
128.06226	5.7
129.06998	1.9
131.04941	5.3
131.08598	1.9
133.06526	2.8
133.10117	2.9
135.08104	1.8
137.05954	1.7
139.09941	6.3
140.07104	2.2
142.08705	2.0
143.08574	4.2
145.06502	4.8
145.10149	4.9
147.08055	4.3
149.05988	12.5
152.10715	2.9
161.09666	4.0
189.09140	3.4
191.08601	6.1
192.15050	2.1
208.13315	2.5
218.09750	2.6
219.08102	6.0
219.10208	1.9
221.09619	2.4
223.18983	1.6
236.10666	13.7
249.09154	2.1
260.16504	2.7
264.10159	4.3
278.17535	30.3
278.21942	2.0
279.10175	8.0
281.08752	1.8
296.10104	2.6
296.18405	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	296.1859
Annotation	Serratezomine B
Peak:m/z	Relative Intensity
53.03949	9.9
55.01880	9.9
55.05517	14.8
65.03928	4.5
65.74086	1.8
67.05513	14.1
69.03439	4.2
69.07093	2.4
69.37291	14.2
70.06583	5.3
72.08168	57.7
79.05500	39.8
81.03420	22.5
81.07053	10.2
83.04991	40.4
85.02900	2.9
91.05491	65.8
93.03412	3.6
93.07048	25.2
95.04980	26.0
95.08607	4.0
97.06534	12.8
98.06080	3.9
99.04492	2.4
99.26980	1.7
103.05495	14.2
105.03391	3.1
105.04525	2.5
105.07049	38.8
107.04968	9.4
107.08615	3.5
109.02883	7.3
109.06550	2.1
111.04431	4.9
117.07023	15.4
119.08598	53.4
121.06518	100.0
121.10126	5.7
125.05988	5.1
127.03899	5.1
128.06236	12.2
129.06990	6.3
131.04909	5.6
133.10104	6.4
137.09671	5.5
143.08578	23.8
145.06525	4.3
145.10124	15.4
147.08067	45.1
149.05998	6.2
152.10779	2.5
161.09645	28.3
163.11182	3.4
165.09088	8.1
171.08078	20.3
180.10208	2.2
182.11801	5.8
189.09119	33.3
204.54536	1.8
207.08398	2.2
207.10240	12.9
218.15395	19.4
235.07446	2.0
236.16483	3.6
253.08649	2.7
260.16510	33.1
268.10037	1.9
278.17542	85.2
281.08084	9.8
296.10522	13.3
296.18597	6.5
301.00449	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	296.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.9
53.03963	7.2
53.64393	1.4
55.01875	9.8
55.05521	24.2
56.05032	3.3
57.03445	7.3
65.03954	3.0
67.05516	18.0
69.03438	22.9
69.07069	6.4
69.67412	1.4
70.06590	5.0
71.04985	2.9
71.07381	5.8
71.53019	1.9
72.08163	54.8
74.03905	1.5
79.05502	38.1
81.03429	10.8
81.07072	17.0
83.04991	100.0
84.08127	1.4
86.09666	1.6
91.05495	32.5
93.07054	19.6
95.04993	23.1
95.08601	6.0
96.04517	2.6
96.05306	2.2
97.02870	1.8
97.06535	13.7
98.06071	4.6
99.04466	4.2
100.92390	1.3
103.05473	6.7
105.03398	2.0
105.04501	4.1
105.07043	13.0
107.04973	9.3
107.08594	2.3
109.06507	2.0
110.06056	2.3
111.01596	1.3
111.04462	5.8
115.05472	2.1
117.07030	7.6
119.08575	11.0
121.06528	44.9
121.10152	3.1
123.08108	1.7
125.05987	2.5
128.06255	2.8
129.07007	2.5
131.04958	2.4
133.06522	4.0
133.10158	2.3
134.05971	1.9
139.09990	8.6
143.07074	2.0
143.08607	4.7
145.06522	1.6
145.10124	3.6
147.08084	8.2
151.03815	1.5
152.10704	2.1
161.09613	5.4
163.03790	1.8
171.08083	2.1
175.03934	2.4
182.11816	4.3
189.09045	2.2
196.13371	8.9
212.00439	1.6
218.15451	1.5
221.09625	5.1
222.74467	1.4
229.47992	1.8
249.09193	2.5
260.16550	2.3
260.20273	2.6
278.17593	40.9
278.20999	5.1
279.10141	12.6
296.10040	4.2
296.13220	1.9
296.19064	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	296.1857
Annotation	Serratezomine B
Peak:m/z	Relative Intensity
53.03947	7.6
54.59436	2.0
54.95510	1.9
55.01868	9.3
55.05515	11.9
67.05505	19.2
67.61481	2.0
69.03439	5.9
69.07043	1.8
70.06597	5.9
70.68491	7.1
71.04997	4.5
72.08164	57.7
79.05500	59.6
81.03432	12.7
81.07058	19.7
83.04990	21.0
84.08152	3.1
85.02896	2.9
85.06509	2.0
86.06069	3.2
88.07632	2.2
91.05490	48.8
93.07057	18.0
95.04984	17.5
95.08621	5.4
97.02932	2.5
97.06537	23.3
98.06058	5.5
99.04458	7.2
102.68892	2.5
103.05484	30.8
105.03407	6.3
105.07040	51.1
107.04964	27.6
107.08600	6.8
109.02886	4.2
109.06568	3.1
111.04447	5.3
115.05469	8.3
117.07032	28.5
119.08590	55.8
121.06515	79.5
121.10149	4.4
123.04477	3.7
123.08115	3.9
125.06013	5.8
127.03915	3.3
128.06227	34.4
129.07011	7.0
130.07776	5.0
131.04939	8.7
131.08578	3.0
133.06508	5.5
133.10110	13.3
135.04439	2.3
135.08115	2.9
137.06006	2.9
143.08580	59.7
145.06470	8.4
145.10130	23.4
146.07304	2.4
147.08055	32.5
147.11691	8.8
149.05965	2.8
151.03871	3.1
152.04228	4.9
152.10725	5.9
153.07030	3.9
161.09615	24.0
163.11162	4.0
165.09128	3.3
171.06786	3.6
171.08067	41.5
175.11324	2.6
180.10190	18.9
189.07387	4.4
189.09119	76.4
202.08650	10.0
204.13898	2.4
207.10213	4.0
218.15424	2.9
235.07503	3.5
238.06355	4.9
242.15318	11.0
260.16489	100.0
265.08701	7.5
278.14481	4.3
278.17538	71.2
280.09653	3.7
281.08170	7.4
282.08945	3.3
296.06354	21.7
296.10254	5.2
296.13062	30.9
296.18350	15.3
297.07816	3.8
297.11185	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	296.1859
Annotation	Serratanidine
Peak:m/z	Relative Intensity
51.02396	1.3
53.03942	4.9
54.60872	1.0
55.01879	9.8
55.05524	6.2
57.03443	1.6
65.03922	2.0
67.05512	13.5
69.03420	4.7
70.06593	1.3
71.04977	1.6
71.07381	2.7
71.52301	2.3
72.08163	29.2
72.08550	2.8
79.05502	32.2
81.03423	5.8
81.07054	8.7
83.04982	6.1
84.08134	1.2
85.02911	1.8
91.05494	31.0
91.05994	1.1
93.07055	25.0
95.04976	14.3
95.08614	2.4
97.02888	1.9
98.06055	1.2
100.45864	1.5
103.05450	1.6
105.03426	2.0
105.07037	19.8
107.04955	14.6
107.08612	7.0
109.06551	2.1
111.04453	15.1
115.05444	3.5
117.07027	15.8
119.08591	11.3
121.06519	42.1
122.07250	1.9
123.04414	2.6
125.05993	1.5
128.06221	8.7
129.07024	3.2
131.04915	2.1
133.06511	7.9
133.10155	9.2
134.09140	1.3
135.08076	5.5
137.09619	2.5
139.09909	3.9
143.08562	12.1
145.06493	4.2
145.10167	6.9
147.08075	11.4
151.11223	1.5
161.09645	17.1
163.07506	2.8
163.11177	2.0
165.09035	1.5
171.08087	3.3
176.10942	1.5
178.12170	1.2
189.09160	14.2
191.08604	1.4
206.15474	2.4
207.10231	3.1
221.05930	1.4
225.11171	2.2
232.17023	4.2
238.06152	1.5
253.08621	3.3
260.16467	16.6
265.08521	2.4
278.17529	100.0
281.08099	14.0
282.80313	1.4
296.10391	15.8
296.18488	3.2
296.22006	1.6
297.11053	1.5
297.17126	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1861
Annotation	Serratanidine
Peak:m/z	Relative Intensity
53.03942	3.5
55.01880	8.5
55.05520	8.0
58.06587	1.1
67.05508	3.8
69.03424	2.0
70.06586	3.3
70.49600	2.0
71.04973	0.9
72.08166	41.5
77.03910	1.1
79.05505	35.7
81.03422	6.4
81.07080	4.8
83.05009	4.0
90.09222	1.0
91.05493	30.6
93.07060	14.9
95.04979	13.3
95.08599	3.0
97.02903	1.0
97.06552	1.1
98.06085	5.6
103.05474	4.6
104.01567	0.7
105.03396	1.9
105.04562	0.9
105.07048	18.9
107.04976	6.0
107.08560	1.4
108.08083	0.8
109.02889	1.2
110.09685	1.3
111.04447	1.7
115.05481	1.8
116.07104	1.9
117.07028	11.2
119.08599	28.6
120.08192	0.9
121.06525	100.0
121.10148	4.3
124.07642	0.9
126.09151	1.0
128.06265	4.3
129.07031	6.9
130.07771	1.2
131.04921	2.5
131.08582	0.9
133.06503	2.1
133.10182	3.7
135.08020	1.1
136.07535	0.8
137.05997	1.7
137.09578	1.0
138.09114	4.0
139.09935	2.7
143.07497	1.2
143.08575	10.4
143.83908	1.0
145.06502	3.2
145.10156	11.5
147.08069	44.5
149.06017	1.3
149.09615	0.9
151.03970	0.8
152.10713	1.3
161.09656	15.1
163.07565	2.4
163.11197	6.6
171.08060	3.0
178.12202	1.9
179.10693	2.6
187.64471	0.8
189.09142	19.6
207.10132	8.3
218.15419	30.4
220.13326	1.9
222.06792	1.3
232.17003	0.9
236.16457	2.7
242.15524	1.2
260.16507	54.6
265.08591	2.0
278.14487	1.3
278.17557	22.4
296.13025	2.3
296.18564	2.7
297.11209	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	296.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02019	0.3
55.01866	0.4
55.05511	0.5
67.05502	0.7
69.03414	0.5
70.84747	0.8
72.08141	1.0
79.05497	1.0
81.03424	0.9
81.07061	0.5
83.04986	1.3
91.05475	1.1
93.07056	0.4
95.04932	0.6
95.08608	0.4
105.03413	0.7
105.07029	1.3
106.07414	0.3
107.04937	0.3
107.08597	0.7
108.08899	0.4
111.04452	0.4
119.08584	0.6
121.06463	0.4
121.10107	0.5
127.90760	0.3
128.06226	0.4
131.08611	0.5
133.06546	0.4
146.86807	0.3
147.04425	0.5
147.08063	0.5
147.93352	0.3
149.09622	0.5
165.07033	0.7
178.07797	4.2
182.11732	0.3
189.07045	1.3
190.07806	1.8
191.08554	1.3
192.09283	0.5
193.06503	0.4
194.07156	0.3
195.08113	0.4
202.07776	1.3
203.08669	0.7
205.06490	1.3
206.07275	6.3
207.08070	0.5
208.08842	2.8
209.09500	0.4
216.05493	0.3
217.06451	0.8
218.07301	3.2
219.08060	1.3
220.08881	0.8
221.09633	25.4
223.11220	2.0
231.08122	0.5
233.09576	2.4
234.06789	5.9
234.10463	0.5
235.07556	1.2
236.08324	2.6
247.07526	0.6
248.08311	1.5
249.09135	19.5
250.09766	0.7
251.07143	0.4
251.10706	1.0
259.08643	0.5
260.16507	0.6
261.09177	1.3
263.07050	0.4
264.07779	1.9
265.12289	1.6
272.66998	0.3
278.09531	0.3
278.17456	1.1
279.10184	100.0
280.10468	1.1
296.09714	0.6
296.12839	4.5
296.16113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1858
Annotation	Serratanidine
Peak:m/z	Relative Intensity
53.03941	2.9
55.01878	3.9
55.05508	3.5
57.03440	1.4
58.06605	8.1
64.43313	1.3
67.05502	7.8
69.03449	3.1
70.06596	36.7
70.66781	1.8
70.67086	1.6
71.05000	5.4
72.08138	6.5
73.78298	1.2
74.31824	1.3
79.05499	17.7
81.03413	10.8
81.07066	20.0
83.04993	7.0
85.02906	1.7
86.09736	1.2
88.07626	18.5
91.04905	2.2
91.05483	38.9
93.07049	19.4
95.04972	68.6
95.08624	2.4
97.02893	1.5
97.06544	2.1
98.06052	1.4
103.05459	2.9
105.07037	100.0
106.08694	4.0
107.04967	5.9
107.08603	3.7
109.02904	1.8
109.06503	2.7
111.04469	1.5
117.07033	11.2
119.08611	7.0
121.06544	6.0
121.10160	22.2
123.08089	3.9
128.06245	2.4
129.07054	6.1
130.07768	3.2
131.04897	1.5
131.08569	32.1
133.06491	21.1
135.08043	2.0
137.08298	1.7
143.08563	3.9
145.06477	1.5
145.10132	23.6
147.04434	2.1
147.07971	6.3
147.11682	2.4
149.09616	46.3
161.09683	2.6
163.11174	6.8
165.06947	1.3
173.09604	2.5
177.07050	1.9
189.09148	1.7
191.08675	2.0
191.10689	5.1
205.06621	3.9
208.13322	6.9
209.11801	10.1
220.13353	3.3
222.06769	4.1
233.06042	5.4
237.09105	4.1
239.07011	1.7
248.16568	1.5
250.06258	1.4
260.16458	28.1
265.08594	15.5
278.17505	83.3
279.17990	1.7
281.08215	1.5
282.08926	1.7
296.15262	2.9
296.18570	34.9
297.11197	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	296.1858
Annotation	Serratanidine
Peak:m/z	Relative Intensity
52.43277	0.8
53.03938	3.3
55.01878	8.3
55.05510	6.6
58.06610	1.3
67.05500	4.5
69.03429	1.4
69.44823	7.8
70.06589	8.3
71.04979	1.8
72.08160	38.1
79.05494	33.2
81.03419	6.0
81.07069	7.4
83.04976	4.1
85.02901	1.3
88.07632	2.8
91.05489	31.2
93.07050	14.7
95.04380	1.3
95.04973	18.9
95.08597	3.0
97.02905	1.2
98.06071	4.1
103.05489	3.7
105.03365	1.2
105.07035	20.2
107.04930	5.9
109.02876	1.1
109.06510	1.3
110.09701	1.5
111.04496	1.5
115.05435	1.5
117.07026	13.0
119.08585	26.2
121.06511	100.0
121.10146	6.4
123.08060	2.7
124.07625	1.0
126.09180	1.2
126.23061	1.0
128.06241	3.5
129.07008	4.6
131.04930	1.4
131.08569	3.2
133.06482	4.1
133.10141	3.0
135.08047	1.5
136.06181	0.9
138.09154	3.7
139.09976	1.3
143.08559	8.2
145.02829	1.2
145.06476	1.9
145.10121	12.1
146.14986	1.0
147.08054	42.5
149.09621	3.5
152.07043	1.3
161.09610	15.6
163.11154	7.3
164.10732	1.2
171.08052	2.9
177.05490	3.1
179.10669	1.1
189.09148	19.9
191.08566	1.5
207.10129	10.2
208.13251	1.5
209.11755	2.1
218.15410	32.9
222.06798	1.2
236.16505	3.9
242.15494	1.7
260.16476	54.2
265.08618	4.3
278.17542	27.8
282.08887	2.7
296.18634	6.4
297.11057	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	296.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.3
55.01831	0.4
58.06568	0.8
60.04516	0.5
62.07258	0.3
62.38591	0.3
69.03393	0.5
69.84459	1.5
70.06567	0.5
71.04909	0.3
72.08118	0.9
73.02913	0.2
76.25377	0.3
79.05479	0.5
81.03412	0.3
82.06550	0.9
83.04976	0.4
85.02881	0.3
88.03953	1.1
91.05443	0.9
93.03418	1.7
93.07019	0.5
95.04942	0.5
97.02887	0.5
98.03283	0.3
101.99362	0.3
105.07027	0.6
106.05009	0.4
107.04937	0.3
109.02881	1.8
117.06983	0.8
119.04918	1.2
119.08576	0.5
121.02885	2.5
121.06506	0.4
124.07584	0.4
128.06194	0.5
128.07047	1.8
129.06967	1.2
131.08513	0.4
136.07576	0.3
145.06480	1.1
145.10104	0.4
147.04401	2.2
147.07996	0.8
149.09607	0.3
151.03850	0.8
161.05991	0.6
162.06830	0.4
163.03946	1.9
165.05508	1.0
173.06000	8.5
175.03920	24.8
175.07509	2.4
177.05486	1.6
185.05911	0.3
189.05400	0.5
189.29001	0.3
191.07106	2.1
201.05481	11.4
203.07063	1.3
204.10216	0.5
205.04944	0.6
205.08611	0.7
214.08633	1.8
216.10162	1.6
219.06462	1.3
229.04991	3.5
232.09703	39.1
247.06001	3.2
251.09335	0.3
260.16501	0.4
278.10254	100.0
279.10406	0.4
296.07965	0.6
296.11337	9.6
296.14850	0.8
296.18295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2998
Annotation	Cassipourol
Peak:m/z	Relative Intensity
53.03949	3.3
54.85873	1.9
55.05523	44.3
57.07083	55.0
60.08145	2.5
65.64909	1.8
67.05186	2.7
67.05516	39.5
69.07076	100.0
69.62864	14.9
71.04999	2.4
71.08640	38.7
75.48288	2.1
76.73449	2.1
79.05497	11.4
80.05824	2.9
81.06592	5.0
81.07063	82.1
82.07389	2.1
83.08629	67.0
85.06556	16.5
85.10191	25.6
86.09715	9.4
88.54858	2.2
91.05436	3.0
93.07053	6.3
95.08618	98.5
97.10184	53.0
98.21454	2.3
99.08097	8.7
99.11734	4.6
105.07036	2.7
107.08600	5.0
109.10168	53.9
111.11736	47.0
122.10544	2.7
123.11708	34.1
124.99996	5.7
125.13295	21.2
127.14738	2.7
135.08032	2.4
137.13268	12.5
139.14832	7.0
150.09924	5.3
151.10312	2.3
151.14861	12.0
153.16364	4.0
155.14362	2.3
165.16423	4.0
169.15863	5.6
179.18033	3.0
184.07373	24.7
193.98228	2.0
241.41881	2.4
277.20767	8.2
277.28851	5.2
280.07300	2.3
295.06393	3.5
295.09637	10.4
295.13052	5.4
295.29953	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	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.52577	3.3
53.03944	8.0
55.01862	10.4
55.05518	41.3
55.35566	3.5
57.03437	4.4
57.07074	14.8
67.05513	95.6
69.03433	5.3
69.06780	3.8
69.07078	41.7
71.04971	8.0
71.08644	29.3
71.53048	4.1
72.08144	4.7
79.05077	3.9
79.05498	50.9
80.05805	6.4
81.03410	10.1
81.07065	81.1
83.04972	16.8
83.08636	29.1
85.02909	7.0
85.06567	5.4
91.05492	41.0
93.07053	69.6
93.16432	3.4
94.07373	5.9
95.04967	13.3
95.08622	40.5
97.06546	12.9
97.10175	31.1
99.08114	27.5
105.07058	26.8
107.08609	41.8
108.04472	4.9
108.08954	5.2
109.06519	7.2
109.10178	35.1
111.08089	4.6
117.07024	7.9
119.08585	22.4
121.10165	31.3
123.08067	4.7
123.11687	9.0
125.09644	31.2
131.08585	10.1
133.10135	20.1
135.11726	23.1
137.09625	8.2
137.13275	5.8
137.15080	3.9
139.11209	11.9
145.10138	7.3
147.11693	22.7
149.13284	10.9
151.11201	24.5
153.09125	4.5
153.12706	3.5
157.10100	5.4
159.11755	7.9
161.09624	3.8
161.13297	14.5
163.11244	8.6
165.12746	8.6
175.14871	9.1
177.12828	5.0
179.14313	9.3
185.13348	5.8
189.11230	13.4
189.12830	4.5
193.12270	5.1
195.13855	4.9
207.13898	4.6
217.19533	5.2
221.11731	7.4
231.20898	5.3
235.17058	4.3
241.19582	7.0
259.20563	12.1
263.18335	5.0
277.21634	100.0
286.50534	3.9
295.09543	15.0
295.17139	5.6
295.22775	34.3
295.28076	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	295.2271
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
53.03939	8.4
55.01865	9.7
55.05517	60.1
57.03434	6.4
57.07067	8.9
57.52269	2.1
59.04988	3.6
66.78604	2.3
67.05513	99.6
69.03410	6.4
69.07076	35.1
70.02791	4.9
70.03181	5.2
71.04983	4.0
71.08649	13.7
75.04729	2.2
75.60153	2.1
79.05074	3.7
79.05501	47.5
81.03422	10.9
81.06597	4.3
81.07063	64.8
83.04984	18.6
83.08627	30.0
85.06544	6.0
85.10169	2.3
91.05495	30.1
93.07050	53.7
95.04523	1.9
95.04976	17.5
95.08617	44.3
96.08169	2.6
97.06508	8.6
97.10175	30.6
98.21368	3.8
99.08096	12.7
105.07046	23.9
107.04982	2.4
107.07977	3.4
107.08617	37.2
109.06535	5.7
109.10160	31.8
109.95092	2.2
110.64938	2.3
111.08091	4.8
112.01071	2.2
115.05473	2.2
117.07017	7.1
119.08606	16.7
121.10160	21.6
123.08053	2.6
123.11700	6.8
125.08783	2.9
125.09646	31.8
125.59538	2.5
129.07034	3.7
131.08565	7.2
133.10162	16.1
135.08054	3.5
135.11717	19.3
137.09576	4.2
139.11223	15.5
142.08672	5.2
143.08554	3.5
143.10732	2.9
145.10110	5.8
147.11661	13.8
149.13263	8.3
151.11208	13.8
157.10178	4.4
159.11838	3.8
161.13242	12.3
163.11189	2.7
163.14879	3.8
165.12738	7.0
171.10179	4.6
171.11613	4.5
173.13335	3.9
175.14804	5.4
179.14323	4.7
180.92722	2.2
185.13324	3.2
189.11255	21.3
189.12793	3.6
193.12285	3.6
193.15903	2.9
195.13754	3.0
213.16359	2.9
231.21106	5.3
235.16966	2.8
241.19511	8.7
249.22119	4.7
250.21681	4.3
251.07059	4.4
259.20538	11.9
277.21655	100.0
295.06052	13.1
295.09628	12.4
295.22659	53.1
295.27927	4.5
296.22214	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	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03933	7.9
53.16363	4.4
55.01870	5.7
55.05513	32.3
57.07067	18.2
67.05514	73.0
69.07082	34.0
70.94275	6.1
70.94614	10.0
71.05011	7.8
71.08642	100.0
72.08153	4.8
79.05144	4.8
79.05509	49.0
81.03419	15.6
81.07067	71.8
83.05003	10.7
83.08614	19.4
85.06506	4.5
91.05500	42.0
93.07053	60.2
95.04971	23.3
95.08617	45.4
97.06537	13.1
97.10184	15.3
99.08104	99.5
102.99385	7.1
105.07050	33.6
107.08628	39.0
109.06566	5.4
109.10181	22.4
111.08084	9.2
111.11718	5.4
111.99967	16.9
117.07012	13.1
119.08581	21.9
120.04448	7.5
121.00462	17.3
121.06487	8.3
121.10139	21.7
121.56548	5.8
123.08057	4.5
123.11690	5.7
123.50752	6.7
125.09605	10.3
129.07002	9.8
131.08543	7.4
133.10120	26.6
134.01198	7.0
134.05968	6.6
135.06387	6.9
135.11693	25.4
137.06018	5.5
137.09607	7.0
143.08559	8.1
145.10106	14.9
147.11699	12.9
149.02351	5.4
149.13290	12.7
151.11212	64.2
153.99876	4.8
159.11671	9.7
161.13277	20.8
163.00420	5.8
163.11205	32.7
163.14833	10.0
167.99709	19.8
171.11594	5.1
173.13368	7.5
175.14868	6.9
177.00258	13.6
177.12996	4.7
179.14320	32.0
185.13341	7.9
189.11244	8.1
189.12849	5.2
199.14886	5.3
208.02101	13.2
217.02563	11.6
241.19551	11.5
243.04147	9.0
251.07031	12.7
252.04773	27.9
252.59662	4.8
259.20578	16.9
261.05188	6.3
263.55432	12.8
277.16315	8.8
277.21649	98.7
279.06299	5.9
295.09604	43.4
295.13083	10.5
295.22772	10.6
306.05090	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	295.2271
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03938	6.8
55.01862	6.0
55.05518	44.0
57.03434	4.0
57.07080	8.7
58.94866	1.5
59.93733	2.0
67.05514	75.7
69.03430	4.6
69.07069	27.5
70.95746	2.0
70.96055	2.8
71.04987	4.5
71.08636	48.6
79.05499	43.8
81.03429	21.3
81.07065	53.8
82.62019	1.6
83.05001	10.7
83.08625	23.4
85.02926	2.0
85.06539	5.4
85.10186	2.8
90.48952	1.4
91.05491	27.7
93.07053	49.1
95.04988	17.9
95.08054	3.0
95.08616	36.0
97.02924	2.2
97.06525	11.4
97.10180	28.0
99.08102	49.5
104.10761	2.7
105.07039	25.6
107.04961	3.3
107.08601	27.7
109.06514	6.1
109.10175	23.2
111.08082	6.1
111.11681	1.6
113.09680	4.3
116.64733	1.7
117.07060	8.4
117.07744	1.8
119.08599	15.0
121.06524	2.4
121.10161	19.4
123.08052	3.5
123.11713	4.6
125.09646	24.1
129.06984	2.5
131.08548	5.0
133.06526	19.7
133.07501	3.2
133.10147	16.5
135.08096	5.8
135.11716	21.0
137.09619	8.6
139.07539	1.9
139.11162	3.2
141.12733	2.0
143.08563	4.5
145.10121	10.5
147.08025	2.4
147.11699	13.8
149.09679	2.1
149.13298	10.4
151.11195	34.9
153.09142	2.6
159.11723	6.7
161.09601	3.5
161.13266	20.6
163.11208	14.6
163.14807	3.7
165.12714	8.3
169.12251	1.6
171.10262	3.4
171.11696	5.5
173.13261	4.8
175.11124	2.4
175.14839	5.7
179.14337	14.3
181.12222	4.2
185.13194	3.9
189.11259	18.6
189.12746	2.8
193.12202	2.2
193.15826	2.6
195.13844	2.6
199.14893	3.0
205.06453	1.7
207.13919	2.8
217.19629	1.8
217.96484	1.7
221.15358	3.6
231.21121	5.7
235.07745	1.9
235.17348	2.1
241.19409	7.9
251.07146	4.1
259.20605	12.0
277.21652	100.0
279.06702	1.7
295.06091	8.0
295.09647	19.5
295.12866	2.3
295.17038	2.0
295.22708	40.0
298.04596	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03952	6.0
55.01859	6.3
55.05272	3.5
55.05516	48.0
57.03427	8.4
57.07088	13.1
65.03940	3.4
67.05508	94.3
69.03436	10.0
69.07076	41.9
71.04993	8.3
71.08636	74.9
71.25889	5.9
72.08154	3.9
79.05503	50.0
81.03429	17.1
81.06591	4.2
81.07066	77.9
83.02602	2.7
83.05000	17.4
83.08630	33.2
85.06543	3.7
91.05484	36.7
93.07052	52.8
95.04992	17.0
95.08618	48.3
97.06542	11.4
97.10171	33.7
98.12393	2.8
99.08104	47.9
105.07035	30.4
107.04945	5.6
107.08593	36.2
109.06519	7.2
109.10170	25.9
111.08082	9.1
117.07016	10.6
119.08597	18.4
121.06482	4.1
121.10161	25.7
123.08069	5.2
123.11743	3.8
125.09636	29.6
127.03911	2.8
129.07062	5.6
131.08563	10.2
133.06554	4.8
133.10144	24.4
135.08060	5.8
135.11716	26.4
137.06050	2.8
137.09608	5.2
139.07414	4.1
139.11177	3.4
141.06946	2.8
141.09161	3.3
143.08549	5.7
145.10124	8.2
147.08052	3.8
147.11668	13.8
149.09570	2.6
149.13271	13.9
151.11186	46.7
153.09103	2.8
157.10245	4.9
159.11719	8.0
161.09612	5.2
161.13255	25.2
163.11188	20.1
163.14760	3.2
165.12831	5.9
171.10234	2.8
171.11687	7.3
173.13240	5.5
175.14844	6.7
177.12756	3.1
179.14352	14.9
184.07266	3.3
185.13275	5.2
189.11263	18.5
189.12671	4.2
193.15912	3.5
199.14818	3.8
207.13785	4.0
221.15486	4.8
231.21053	5.7
234.06688	2.6
235.16821	3.4
241.19516	5.7
251.06937	5.6
259.20639	14.9
277.21692	100.0
295.09778	13.4
295.22607	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	295.2273
Annotation	Pseudopyronine B
Peak:m/z	Relative Intensity
53.03944	0.3
55.01875	0.3
55.05515	1.7
57.03429	0.4
57.07087	1.9
59.63652	0.3
60.85357	0.3
62.19813	0.3
65.03929	0.3
66.49763	0.3
67.05512	4.2
69.03424	0.4
69.07077	2.1
69.92671	0.8
69.93073	0.6
71.04992	1.0
71.08631	0.8
79.05503	1.5
81.03429	0.3
81.07066	3.2
83.01342	2.6
83.04995	0.4
83.08605	0.9
85.02908	0.4
91.05496	0.6
93.07053	0.7
95.04967	2.2
95.08630	1.8
96.55666	0.3
97.06540	0.6
97.10156	0.6
99.04462	0.8
101.02367	0.8
105.07040	0.8
107.08607	0.3
109.06508	0.5
109.10152	0.8
111.04421	0.4
111.08109	0.3
119.08582	0.4
121.10174	0.6
123.08104	0.3
125.02354	0.7
127.03912	0.8
129.75087	0.3
135.11641	0.3
137.06021	0.5
140.04689	3.2
141.05429	0.7
153.05518	0.8
163.14725	0.3
174.86841	0.3
197.11784	0.5
211.13364	0.7
225.14897	0.8
239.16437	0.4
261.12598	0.3
272.38400	0.3
277.21777	0.5
295.22711	100.0
296.23059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03942	5.5
55.01872	24.9
55.05516	40.3
57.03426	4.8
57.07072	7.1
64.88510	1.1
64.98772	1.3
65.03932	2.5
67.05510	60.7
69.03445	6.3
69.07072	27.3
70.06593	1.6
70.42659	1.2
70.67316	2.3
70.67617	1.4
71.04990	4.4
71.08241	2.1
71.08636	35.8
72.08155	4.2
79.05498	36.1
81.03428	12.3
81.07064	57.5
83.04990	13.0
83.08628	26.5
85.06532	4.9
85.10178	8.1
91.05486	31.2
92.05825	1.2
93.06481	2.5
93.07048	43.2
94.34712	1.2
95.04967	12.2
95.08616	34.0
97.06538	13.5
97.10179	15.3
99.07493	2.1
99.08100	30.2
105.06398	1.9
105.07043	25.0
107.04967	4.9
107.08607	27.5
109.06515	6.1
109.10157	16.4
111.08089	26.2
113.05952	1.3
113.09656	10.7
117.07038	8.1
119.08592	22.0
121.06520	2.5
121.10155	20.2
123.08104	8.1
123.11726	7.2
125.09634	14.3
129.06990	4.0
131.08580	7.8
132.08899	1.9
133.06534	1.9
133.10146	17.2
135.08029	1.8
135.11700	15.5
136.34660	1.5
137.09608	7.0
137.13239	1.7
139.07538	1.3
139.11191	4.3
141.09122	1.5
143.08575	3.8
144.08098	8.1
145.10126	10.2
146.10526	1.5
147.11696	18.8
149.09608	4.6
149.13254	12.0
151.03891	2.4
151.11192	24.6
153.09216	1.5
153.12761	4.2
157.10138	4.9
159.11699	5.0
161.09674	1.5
161.13280	14.6
163.11171	12.0
163.14838	3.4
165.12770	20.6
167.10583	1.7
167.14336	1.9
169.12071	1.4
171.11694	4.3
173.13310	2.5
175.11159	3.2
175.14864	5.1
177.12727	2.4
179.14291	12.4
181.12271	2.3
185.13301	2.9
189.11229	7.9
189.12729	2.9
193.12268	1.8
193.15881	2.7
195.13759	1.6
199.14935	1.6
207.13831	2.2
221.15370	1.7
231.21101	3.5
241.19551	10.4
245.17412	3.7
249.22168	4.6
259.20566	14.4
277.21671	100.0
295.13379	1.6
295.22693	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03955	3.9
55.01862	4.7
55.05265	2.5
55.05510	27.3
57.03434	3.6
57.07072	21.9
67.05507	55.6
69.07071	38.6
70.11601	4.6
71.04993	4.0
71.08634	63.2
79.05497	38.1
81.03432	7.6
81.06590	3.4
81.07058	65.0
83.04983	9.5
83.08622	19.5
85.06545	5.6
85.10181	2.9
91.05479	23.1
93.07042	56.8
93.07944	2.3
94.15948	1.7
95.04959	7.2
95.08611	52.2
97.06536	8.7
97.10172	17.9
98.20873	2.9
99.08096	33.0
105.07037	16.7
107.04924	4.8
107.08605	31.3
109.06551	2.3
109.10155	31.2
110.73561	1.6
111.11718	9.7
113.09635	2.0
117.07017	3.1
119.08582	13.9
121.10149	29.9
123.11713	9.8
125.09634	3.8
125.13248	5.4
129.07031	1.9
131.08531	6.7
133.10110	10.5
135.11693	42.3
137.09616	5.2
137.13263	4.1
141.09120	4.0
143.08588	1.7
145.10191	2.9
147.11697	5.0
149.09727	1.7
149.13272	9.8
151.11206	13.1
151.14793	3.9
153.12766	2.1
155.00594	1.5
159.11687	3.8
161.13271	10.8
163.11176	4.0
167.10669	1.8
175.14870	2.1
177.12782	4.5
179.14313	100.0
181.12256	2.3
185.13275	2.9
189.11166	2.1
189.12811	4.4
207.13985	2.1
209.44943	1.8
221.15358	3.5
235.16948	5.8
241.19456	2.7
259.20627	6.3
277.21646	53.6
281.73080	1.8
294.73639	1.9
295.05957	4.3
295.22968	3.7
295.29959	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
53.03949	2.8
55.01870	5.6
55.05276	2.8
55.05517	42.5
57.03430	7.4
57.07074	7.1
65.03445	2.3
67.05511	97.5
69.03423	2.9
69.07077	41.4
69.28440	4.4
69.28841	15.0
71.05002	3.2
71.08636	7.7
72.08150	3.1
79.05495	34.0
81.03429	6.4
81.07068	89.1
81.17237	2.1
83.04981	5.5
83.08627	75.1
85.06547	4.4
87.08155	2.3
91.05486	26.4
93.07055	42.7
95.04969	8.7
95.08617	50.7
97.06546	8.5
97.10181	4.6
99.08083	7.8
105.07050	23.1
107.04979	3.8
107.08626	22.9
109.06548	3.4
109.10158	22.0
111.08091	22.4
111.11710	2.4
116.06165	2.0
117.07053	5.3
119.08601	14.6
119.62888	2.4
121.06538	6.6
121.10159	27.7
123.08064	5.0
123.11712	15.0
125.09650	5.1
129.96642	2.4
131.08542	8.2
133.10158	15.5
135.11703	13.2
139.07597	2.7
145.10147	5.2
147.11702	17.4
149.13338	15.0
151.11198	6.5
153.86154	2.1
157.08624	6.4
157.10126	4.6
159.11723	6.9
161.13277	15.4
163.11150	4.9
163.14853	7.2
165.12811	5.7
167.10741	2.5
171.11719	5.8
173.13333	3.5
175.09702	24.8
175.11104	3.4
175.14882	7.7
177.01785	3.6
177.12822	4.6
179.14317	8.6
181.12146	2.2
185.13303	5.7
195.13832	4.5
199.14873	4.2
203.14334	2.4
207.13850	3.3
217.19604	6.2
221.15388	4.5
224.20044	3.1
231.21196	11.7
241.19562	9.6
259.20605	24.8
263.88971	2.8
271.03394	1.9
277.21655	100.0
295.06064	31.6
295.09622	10.2
295.12671	3.3
295.22656	6.7
296.25647	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	295.2271
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03950	11.0
55.01878	6.0
55.05515	23.0
57.03429	2.1
57.07080	6.9
57.39865	0.9
65.03941	1.6
67.05511	49.1
69.03411	2.0
69.07075	33.0
71.04980	1.8
71.08640	4.7
71.52689	0.9
72.08169	1.2
79.05499	31.5
81.03425	57.2
81.07063	43.5
83.04987	14.0
83.08629	9.2
85.06545	2.0
85.10190	2.4
91.05484	19.2
93.07050	34.0
95.04375	1.8
95.04979	32.6
95.08612	19.5
96.82211	1.2
97.06526	3.7
97.10186	7.2
99.08090	4.0
105.07044	17.8
106.34328	0.8
107.04922	1.4
107.08602	21.0
109.06517	7.3
109.10169	15.3
111.08071	3.3
112.72821	0.8
113.09644	1.9
117.06997	4.7
119.07810	1.0
119.08591	10.9
121.06475	1.7
121.10159	10.1
123.08144	2.2
123.11729	7.2
125.09649	7.6
129.06963	2.3
131.08574	3.5
133.06404	1.1
133.10147	16.3
135.08073	4.7
135.11694	8.1
137.09595	2.1
137.13284	1.8
142.34062	0.9
143.08516	2.1
145.10097	2.7
147.08060	1.9
147.11710	10.5
149.09647	2.8
149.13268	8.4
151.11192	38.5
153.09111	3.6
157.10120	2.6
159.11690	1.4
161.09622	1.6
161.13266	10.2
163.11240	1.0
163.14859	5.0
165.12773	10.9
171.10185	2.3
171.11684	4.6
173.11722	0.8
173.13260	1.7
175.11185	2.2
175.14850	5.1
177.12758	3.1
177.16409	1.4
179.10727	1.2
179.14264	4.5
181.12267	1.5
185.13239	2.2
189.11206	1.4
189.12753	3.1
189.16386	1.4
193.12219	3.0
199.14809	1.1
203.14423	1.1
207.13860	5.1
217.19608	2.4
221.15434	2.2
231.17375	1.4
231.21118	10.0
241.19566	6.5
249.22131	4.3
259.20587	9.5
277.21634	100.0
295.22647	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	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03947	5.1
55.01870	8.9
55.05278	2.5
55.05519	41.2
57.03435	4.9
57.07068	8.4
65.03931	3.0
65.25694	2.0
67.05513	84.3
68.23772	1.9
69.03414	5.4
69.07076	24.6
71.04992	5.5
71.08640	43.2
71.52554	2.7
72.08142	3.9
79.05505	37.8
81.03428	9.5
81.06592	3.1
81.07066	58.9
83.04990	10.4
83.08626	28.2
85.06536	6.2
89.08112	1.8
91.05493	24.7
92.99999	1.8
93.07054	41.0
95.04977	13.6
95.08614	32.5
97.06556	10.0
97.10186	36.1
99.08099	30.9
105.07049	20.2
107.04958	4.7
107.08599	33.7
109.06508	5.7
109.10165	27.7
111.08088	7.0
117.06984	6.2
119.08595	17.1
121.06453	3.1
121.10166	18.6
123.08054	4.8
123.11734	5.3
125.09665	24.8
129.07011	3.0
131.08553	6.9
133.10158	18.4
135.08102	2.0
135.11707	18.0
137.09618	4.8
139.07544	2.5
141.12614	2.2
143.08606	4.8
145.10132	9.3
147.11678	9.1
149.13264	8.8
151.11208	33.9
157.10069	2.0
159.11711	3.6
161.09628	2.4
161.13284	14.3
163.11211	12.3
163.14804	2.9
165.12749	3.4
171.10223	2.7
171.11690	6.0
173.13260	4.4
175.03931	3.7
175.11273	2.3
175.14833	7.4
177.12784	2.7
179.14328	13.2
181.12422	3.0
185.13260	5.0
189.11253	24.0
189.12770	3.1
193.12248	2.4
193.16013	2.7
199.14804	5.2
207.13705	2.7
221.15504	2.1
231.21165	3.4
241.19498	8.4
249.22179	2.6
252.07693	3.1
259.20593	17.5
277.21652	100.0
295.06000	36.1
295.09500	13.5
295.13000	3.7
295.22693	16.0
295.27216	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1907
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.03944	1.3
53.48528	0.6
55.01876	5.7
55.05520	5.1
57.03444	0.8
57.07067	2.2
64.53268	0.7
67.05511	7.7
69.03431	0.9
69.07074	6.0
69.25379	4.3
69.25803	1.4
71.08631	1.9
79.05503	7.4
81.07068	30.8
81.54114	0.7
81.56196	0.7
83.04990	2.7
83.08620	3.2
91.05486	4.2
93.07043	6.4
95.04943	0.8
95.08624	7.2
97.06537	1.9
97.10201	1.2
99.08097	1.3
105.07042	3.6
107.04941	0.7
107.08629	4.6
109.06526	12.2
109.10171	3.9
111.04453	9.9
111.08099	1.3
117.07024	1.4
119.04926	1.1
119.08600	3.6
121.10147	4.0
123.08075	1.4
123.11707	1.4
125.06013	4.6
125.09634	1.3
131.08556	1.7
133.10162	3.6
135.08043	2.1
135.11703	3.8
137.05992	100.0
137.13240	1.9
139.07555	0.8
142.07712	0.7
143.08580	1.3
145.10126	1.3
147.08009	1.5
147.11700	3.9
147.83957	0.7
149.09628	3.5
149.13272	1.5
151.07567	2.8
151.11229	1.8
157.10139	1.7
159.08028	0.8
159.11697	1.1
161.09586	4.4
161.13286	2.2
163.11230	3.5
165.09111	2.2
171.11734	1.3
175.11194	3.6
175.14931	0.8
179.10664	0.9
181.12267	1.6
185.13298	1.0
189.11263	0.8
189.12799	1.0
193.12350	1.7
203.17940	5.7
207.13901	1.3
209.09650	0.8
213.16409	1.6
219.08595	0.8
221.19073	2.2
231.17485	8.6
241.15813	1.4
249.18510	12.2
251.07124	2.4
277.18039	53.5
277.21481	4.8
295.06049	7.4
295.09659	8.2
295.19119	7.2
295.22733	2.2
295.28210	1.5
296.22244	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	295.1905
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.03944	1.2
55.01869	6.6
55.05529	5.0
57.07081	1.9
63.71573	0.9
67.05515	5.3
69.07059	3.2
71.08636	1.1
71.52414	1.2
79.05500	7.7
81.07065	30.7
83.04986	2.0
83.08627	1.5
84.96004	1.1
91.05490	4.0
93.07032	4.4
95.08604	6.0
97.06535	1.0
105.07047	1.7
107.08604	5.3
109.06530	10.6
109.10172	2.8
110.51527	0.9
111.04447	14.3
111.08065	1.4
119.08575	3.6
120.34838	0.9
121.10145	2.9
123.08106	1.9
123.11708	1.4
125.01592	0.9
125.05983	3.0
130.21637	0.9
131.08583	1.2
133.10165	4.4
135.08115	2.1
135.11703	2.9
137.05991	100.0
137.13266	1.6
138.40631	0.9
145.10130	1.3
147.07974	0.9
147.11676	4.3
149.09628	3.7
149.13298	1.2
151.07570	3.2
151.11234	1.8
157.10146	1.7
159.11778	1.0
161.09605	4.1
161.13272	3.2
161.67554	0.9
163.11185	3.1
163.25067	1.0
165.09134	1.8
171.11652	1.4
173.13188	1.0
175.11151	3.0
175.14763	1.5
179.10620	1.1
203.17982	3.5
213.16515	1.6
221.19006	1.9
231.07750	1.1
231.17502	7.6
241.15959	1.5
249.18506	11.0
251.07104	1.5
253.09213	1.0
277.18021	54.4
277.21222	2.5
295.06055	8.7
295.09686	4.5
295.12793	1.6
295.18979	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	295.1544
Annotation	Oidiolactone F
Peak:m/z	Relative Intensity
53.03944	9.5
55.01873	12.3
55.05523	20.5
55.47358	2.6
56.96556	3.0
57.03431	6.5
57.07066	2.3
61.02924	2.5
65.03939	3.3
67.05505	20.0
68.99821	2.2
69.03435	23.3
69.07066	9.9
70.06593	2.9
71.05000	14.3
71.53580	4.5
72.08152	7.2
73.02937	2.7
79.05489	26.2
81.03423	33.0
81.07065	30.6
83.04977	8.6
85.01128	7.7
85.02921	10.1
91.05484	35.4
92.05825	5.8
93.07059	32.7
95.04978	13.7
95.08614	35.3
97.02903	30.4
97.06539	10.6
97.10178	9.0
98.97589	3.1
99.04479	14.4
102.03777	9.7
105.03389	10.9
105.07047	36.6
107.04952	10.8
107.08601	100.0
109.02885	13.8
109.06515	14.8
109.10159	12.2
111.04439	7.3
113.02354	3.1
115.03931	4.2
115.05509	3.2
117.05560	2.6
117.07024	11.2
119.04945	14.0
119.08587	22.8
120.04472	5.7
120.08070	12.0
121.04821	3.1
121.06512	12.3
121.10159	29.5
123.04434	8.8
123.08070	7.7
123.11679	11.7
125.06002	6.3
125.09634	7.1
127.03909	8.1
128.06210	3.4
129.07030	7.7
130.07796	3.3
131.04929	2.8
131.08589	17.6
133.06529	8.3
133.10159	23.5
135.04419	14.0
135.08060	7.1
135.11736	19.4
137.06001	39.6
137.09605	3.4
139.11195	3.4
142.07831	4.9
143.08543	12.2
144.09351	4.5
145.02840	3.3
145.06505	7.1
145.08350	4.4
145.10112	14.9
147.04427	42.3
147.08043	10.6
147.11684	13.8
149.06000	7.5
149.09637	12.0
151.03932	29.5
151.05013	4.3
151.07622	3.2
151.11179	7.3
153.05479	6.5
155.08612	2.7
156.09276	2.8
157.10156	9.5
159.04410	2.9
159.08047	6.7
159.11713	32.8
161.05983	7.3
161.09641	14.3
161.13261	3.7
163.03903	6.9
163.07530	4.9
163.11185	31.5
165.12767	4.1
166.08632	5.2
167.10741	2.7
169.16678	2.2
171.06575	3.3
171.08052	5.3
171.11761	4.0
173.09615	5.4
175.03923	8.9
175.07539	3.8
175.11186	12.6
177.12759	99.1
179.07062	8.0
179.10732	5.6
181.12303	6.6
185.09673	16.6
185.13219	7.3
186.10490	3.5
187.07539	3.1
187.11264	5.7
189.05475	3.1
189.09114	12.5
189.12729	6.5
191.10622	4.2
192.10205	2.7
193.12218	5.0
197.08090	7.3
199.07568	5.1
199.11125	4.0
203.10631	6.2
205.12291	11.6
207.10251	4.2
213.12790	8.2
215.10669	3.0
217.08669	2.7
217.12340	7.6
219.10175	3.2
221.11752	2.9
229.12225	6.8
231.13802	14.3
235.07759	5.0
235.13251	5.3
241.12180	6.5
245.05907	2.9
245.08133	17.8
247.13278	10.5
249.14964	7.4
259.13248	35.3
259.15469	3.6
263.09186	3.9
277.14102	35.7
277.16483	7.1
277.21527	3.6
280.07367	3.0
290.33621	2.4
295.08261	4.7
295.15500	59.1
295.20465	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1027
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.61135	1.4
53.03949	2.7
54.15469	1.3
55.01875	4.1
55.05517	2.0
56.05015	1.7
57.03441	18.9
58.02521	1.6
58.06603	15.8
59.05006	3.0
61.02921	4.1
65.03942	1.4
65.95625	1.4
67.05493	5.2
69.03437	100.0
69.07063	4.8
70.06584	4.0
70.50673	1.3
71.01352	3.5
71.04997	2.6
72.08138	2.8
73.02942	7.0
75.08410	1.2
79.05480	4.2
79.87520	1.5
81.03430	18.1
81.07079	1.7
83.04967	3.0
83.06107	2.8
83.08643	1.4
84.04518	5.7
84.08154	8.9
85.02914	59.0
85.06531	1.6
86.09715	51.2
87.04478	38.0
91.05486	5.4
93.07068	1.8
95.04973	5.1
97.02905	66.2
98.97586	2.3
99.04459	11.5
103.03933	9.0
105.07017	7.3
107.04966	7.1
109.02888	7.5
111.04441	2.9
113.02396	2.0
113.05968	2.0
115.03947	50.2
115.05470	1.8
117.05569	2.3
119.04960	3.8
119.08610	1.6
120.08095	5.6
121.02889	3.7
121.06534	1.8
121.08469	2.3
121.10075	1.5
122.48257	1.5
123.04466	6.9
125.02383	1.9
127.03925	13.0
129.10205	3.6
132.95876	1.9
133.04979	55.5
133.06505	8.8
133.10007	1.3
135.04465	9.1
136.07584	3.8
137.05952	2.4
139.03905	3.8
141.05511	2.3
141.43022	1.5
145.02812	3.6
145.04982	26.0
146.06010	1.7
147.04439	5.3
147.08061	2.4
150.07785	3.7
151.03914	35.4
157.06535	3.0
159.04419	1.6
161.04608	3.2
161.05978	22.3
161.07224	1.3
161.09688	1.6
162.05533	11.5
163.03929	82.5
165.05511	3.8
167.08936	1.6
169.04977	9.1
175.03906	4.7
175.07529	1.9
176.07001	1.9
177.05511	7.6
178.03230	5.8
181.04942	14.2
182.08186	4.3
185.06006	4.3
187.03973	3.2
187.06006	2.8
189.05479	36.0
193.05054	7.2
201.05492	4.4
203.07039	12.0
205.04967	5.7
206.02750	2.4
211.06058	1.4
213.05447	7.2
217.04993	74.6
218.07962	1.6
223.05951	1.9
227.08130	1.7
229.04950	5.3
229.07106	3.9
231.06529	7.9
235.06061	2.1
241.04922	2.5
241.07091	3.1
247.06061	35.4
251.08609	7.8
259.06012	18.2
259.08237	3.8
263.10239	1.9
277.06674	9.0
277.09317	6.1
277.13776	3.3
278.12488	1.7
295.08057	23.3
295.11127	8.1
295.16632	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	295.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01873	3.0
55.05499	1.8
56.05054	0.9
56.20587	0.8
56.96577	0.7
57.03444	23.8
59.05017	4.5
60.04524	0.9
61.02934	2.8
61.21029	0.8
67.05515	2.8
69.03438	100.0
69.07115	1.0
70.06609	2.0
71.01369	3.2
71.05009	2.4
71.51741	1.2
72.08162	2.3
73.02924	5.1
75.04491	2.0
76.02234	1.2
79.05504	2.6
81.03432	14.0
83.01310	1.0
83.05002	2.5
84.04516	2.2
84.08156	3.7
85.02915	64.1
86.09718	6.2
87.04480	49.5
91.05515	3.1
93.07068	1.9
95.04978	3.5
97.02905	63.5
99.04465	12.6
101.02388	0.9
103.03956	8.3
105.07053	1.1
106.05047	0.9
107.04913	0.9
107.08637	1.2
109.02890	5.0
111.04482	3.3
113.06014	0.8
115.03945	63.1
116.07108	1.0
117.05527	2.0
119.05031	0.9
120.08145	2.0
121.02913	1.2
121.06541	1.8
123.04438	3.5
124.07645	1.4
125.02334	0.8
125.06030	1.0
127.03944	12.2
129.10287	1.5
132.49577	0.7
133.04982	62.9
135.04451	2.7
135.11754	0.8
136.07619	1.1
137.06059	0.7
138.09184	1.2
139.03960	1.7
140.07137	2.2
141.05487	1.1
143.03488	1.4
145.04977	22.4
147.04529	1.7
150.07759	10.3
151.03906	4.7
157.05034	1.3
161.04526	2.3
163.03920	5.4
163.06003	0.9
165.05608	1.3
169.04988	5.6
169.06989	0.9
169.27260	0.7
187.06035	1.4
193.04988	1.0
195.06564	0.8
201.25348	0.7
205.07080	1.8
211.06110	1.7
215.11859	1.5
229.07201	2.7
241.07021	5.3
253.16360	1.4
259.08057	4.1
277.09229	7.0
295.10364	1.2
295.17422	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	295.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01867	5.5
55.05505	2.8
56.05017	1.9
56.96547	1.2
57.03440	19.0
57.07072	1.5
58.06593	4.8
59.05005	4.0
61.02932	7.3
65.03965	2.4
67.05509	2.0
67.53688	1.1
69.03436	97.1
69.07066	9.8
70.06585	7.3
71.01356	3.1
71.05003	5.2
71.51978	1.6
72.08165	5.8
73.02920	6.8
75.04471	1.4
79.05495	3.9
79.06847	1.3
81.03429	19.7
81.07054	2.8
83.04990	4.6
83.08622	1.4
84.04517	8.1
84.08154	8.0
85.02912	100.0
86.09702	10.8
87.00844	2.3
87.04477	43.4
87.08109	7.8
91.03959	3.3
91.05487	17.5
93.07043	3.7
95.04956	3.3
95.08604	1.8
97.02901	65.6
99.04461	18.3
99.05533	1.4
99.83432	1.4
100.75750	1.2
101.02378	2.0
103.03960	11.1
103.05435	1.6
105.01839	1.6
105.07042	3.8
106.06577	1.5
107.04954	12.9
107.08618	2.3
109.02883	8.1
109.06542	2.0
110.07173	2.0
111.04453	3.7
115.03940	58.1
115.05316	2.2
115.05447	3.0
117.05518	2.7
117.07040	1.3
119.04940	11.8
120.08114	3.2
121.02876	2.2
121.06518	3.5
121.10184	1.3
122.06034	2.2
123.04473	5.0
125.02373	3.1
127.03928	21.5
129.10257	3.2
130.05038	4.7
131.04958	3.6
131.08533	1.3
132.10233	1.7
132.95815	1.5
133.04153	0.9
133.04974	54.4
135.04398	5.3
136.07588	63.3
137.06000	2.2
139.03905	1.8
140.07079	6.6
141.07425	5.1
143.04939	1.6
145.04976	38.4
145.06145	2.0
147.04417	3.0
148.04817	1.7
149.06015	4.9
150.07835	2.5
151.03912	7.2
151.07556	1.5
160.05165	2.5
161.04488	3.3
161.05965	2.3
163.03943	9.4
163.06046	2.1
163.07466	1.4
165.05475	2.4
166.08563	6.5
168.06583	6.8
169.04985	8.7
169.06921	3.6
175.07533	4.1
177.05550	2.3
187.06036	1.6
189.05548	3.5
189.09093	1.9
201.89348	1.3
205.07080	1.7
211.06012	1.6
223.06078	2.2
229.07191	3.2
231.06557	9.5
241.07043	6.7
241.73705	1.4
253.16347	7.2
259.08252	4.1
277.09210	9.2
277.11847	1.7
278.10287	1.9
295.05997	5.8
295.08096	3.3
295.10373	1.7
295.12961	2.5
295.17331	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1026
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03928	3.1
55.01858	2.8
56.94688	2.1
57.03440	19.6
59.04989	3.6
59.27494	2.1
61.02942	3.3
67.05497	4.3
68.33540	2.1
69.03438	100.0
71.01357	2.0
71.04997	3.8
71.52141	2.0
71.52529	2.2
72.44734	1.9
73.02911	6.9
75.04485	2.6
79.05489	3.2
81.03436	23.1
81.07067	4.1
83.04999	3.1
85.02916	58.5
87.04478	34.9
90.04297	2.0
91.05495	3.3
92.46501	2.1
94.32780	2.2
95.04959	3.1
95.08629	2.4
95.90910	2.4
97.02899	48.8
97.06508	2.6
99.04467	15.3
103.03940	9.6
105.07037	3.3
109.02888	5.8
109.10220	3.0
111.04436	2.2
115.03938	46.9
117.05503	3.8
119.04955	3.2
123.04487	2.3
127.03932	15.6
133.04024	4.2
133.04976	55.1
135.04440	3.0
137.06061	3.4
145.04964	25.0
151.03923	10.0
157.04951	4.1
163.06052	2.0
169.04993	9.2
177.01855	2.2
180.15019	2.0
181.04919	2.3
199.06075	3.1
203.08604	3.6
229.06912	3.4
231.07933	3.6
241.07153	7.7
251.10471	2.0
259.08087	4.4
259.65521	2.0
263.10831	4.8
267.75488	2.2
277.09216	8.8
295.06024	32.8
295.09659	9.5
295.13284	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	295.0814
Annotation	Cyclic dehypoxanthine futalosine
Peak:m/z	Relative Intensity
53.03926	1.3
55.01878	10.8
57.03439	4.1
57.04550	0.9
58.06606	3.9
59.06933	0.6
61.02929	3.3
61.48278	0.4
65.03940	0.5
67.01855	2.6
67.05497	1.0
68.99771	2.1
69.03094	0.4
69.03430	4.7
69.07027	0.6
70.06583	0.8
70.15802	0.4
70.76949	0.9
70.77309	0.4
71.01325	1.2
71.04994	0.4
72.08121	0.5
79.05481	1.1
81.03414	2.5
83.01339	0.5
83.04984	0.6
84.04512	2.0
84.08118	1.5
85.02912	19.3
86.09702	0.5
87.04458	1.7
87.08097	0.5
91.05504	2.6
93.03397	1.4
94.04044	1.6
95.04984	2.3
97.02902	5.7
97.03503	0.7
99.04463	0.6
102.72130	0.4
103.03929	1.1
103.05449	1.4
105.03392	1.5
105.07013	1.6
107.04947	2.9
109.02895	4.5
111.04431	0.9
115.03942	0.8
115.05502	1.9
117.06995	2.5
119.04941	3.6
120.08091	2.5
121.02021	0.4
121.02881	7.7
121.06479	0.9
123.04441	5.0
123.06657	1.5
127.03938	2.4
128.06195	1.2
129.07043	2.1
129.10280	0.4
130.04964	0.5
131.04968	2.1
133.02838	1.5
133.05016	2.2
133.06480	1.6
135.04471	2.6
137.05986	1.9
139.03917	5.5
145.02837	0.9
145.04988	1.3
145.06491	5.1
147.04405	4.2
149.02391	0.6
149.06001	2.1
150.07761	75.9
151.03908	5.0
153.01865	0.6
155.04919	0.5
157.06487	1.8
159.04434	2.7
161.02304	1.6
161.05995	4.4
163.03922	26.2
165.05511	4.9
166.08664	1.6
167.03371	0.9
169.04976	13.5
171.04396	2.9
173.02463	0.9
173.06015	2.5
175.03960	3.2
177.01883	2.3
177.05457	3.6
179.03497	0.8
179.07054	1.9
181.04968	73.6
185.06024	2.0
187.03914	15.8
189.01877	4.1
189.05489	7.9
190.09418	0.6
191.03419	1.7
191.07091	0.5
193.04973	9.9
195.02907	2.6
195.06479	0.7
200.04706	1.1
201.05501	3.9
203.03381	1.6
203.06938	2.5
205.04984	25.0
206.05611	0.5
207.01181	0.3
207.02904	7.6
207.06544	15.5
209.04478	1.6
213.05487	4.7
215.03336	2.1
217.04965	6.1
218.05779	0.7
219.06544	6.0
221.04506	2.7
221.08032	2.3
223.06007	1.7
229.04965	20.7
231.06558	9.0
232.09721	1.3
233.04472	7.0
235.06018	19.8
241.04997	4.5
247.06036	100.0
248.06340	0.5
249.07593	4.9
253.07089	0.5
259.06042	16.7
260.10355	0.8
265.07098	10.6
277.07101	19.0
278.10159	2.9
295.08234	24.6
295.11557	3.6
295.17300	5.2
298.15207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1027
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
51.02366	0.6
53.03953	2.0
55.01880	2.3
55.05517	0.9
57.03442	21.0
58.06337	0.6
58.06602	2.1
59.05005	3.8
61.02932	2.6
67.05511	1.1
67.58512	0.6
69.03434	100.0
69.57758	4.2
70.06582	0.9
71.01363	1.6
71.04999	2.4
72.08179	0.7
73.02924	4.3
75.04485	2.1
79.05510	1.8
81.03426	14.2
81.07050	1.2
83.01361	0.9
83.04989	2.5
84.08154	1.1
85.02911	59.7
86.09725	0.9
87.04473	49.5
89.03895	0.8
91.03986	1.2
91.05489	3.4
93.07043	1.1
95.04981	2.5
97.02898	58.0
99.04459	13.3
101.02368	0.9
103.03934	7.5
105.07005	1.4
107.04967	1.4
109.02875	4.5
111.04446	3.6
113.02425	0.8
115.03938	60.0
117.03426	1.4
117.05516	3.5
118.86831	0.6
119.04944	1.8
119.25319	0.6
120.08116	2.2
121.06521	1.2
123.04426	4.5
125.02404	1.2
127.03928	12.5
133.04976	64.2
135.04434	3.5
136.07585	7.7
137.06067	1.0
139.03928	2.6
143.03421	1.0
145.02921	1.5
145.04967	23.3
147.04428	1.0
147.06541	0.7
150.07811	1.1
151.03918	5.3
157.04987	1.5
161.04448	2.8
161.09479	1.0
161.10759	12.9
163.03929	12.1
163.06004	1.0
163.07452	0.5
165.05510	1.7
169.04976	7.4
177.05473	1.4
181.04945	1.8
187.06056	1.7
193.04945	1.0
199.06024	1.7
205.05217	0.9
205.07036	1.2
211.06096	1.6
218.95758	0.7
223.06087	1.8
229.06995	2.9
241.07056	5.0
259.08139	3.7
277.06668	0.7
277.09241	7.7
295.08209	1.8
295.11246	1.3
295.16589	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04083	0.4
51.02388	0.3
53.03925	1.3
55.01878	9.2
55.05513	0.4
56.05017	0.6
56.96576	0.3
57.03443	4.7
57.04552	0.5
58.06606	8.4
59.06938	1.7
59.07174	0.4
60.04534	0.4
61.02931	2.9
65.03916	0.4
65.39045	0.3
67.01863	3.3
67.05490	1.0
68.99783	2.8
69.03435	4.1
69.07047	1.3
70.02924	0.5
70.06597	1.7
71.01333	1.4
71.04995	0.4
71.52504	0.6
72.08136	1.4
73.02897	1.3
79.05464	1.5
81.03421	3.0
81.07027	0.7
81.26120	0.3
82.87185	0.4
83.04968	0.5
84.04060	0.4
84.04517	7.2
84.08162	2.3
85.02914	21.0
86.09715	1.9
87.04480	0.6
87.08104	1.0
88.03982	0.6
91.05487	3.4
93.03388	1.1
93.07033	1.0
94.04066	2.1
94.86126	0.4
95.04994	2.2
97.02896	6.2
99.04466	0.6
99.57439	0.4
102.05531	0.6
103.03944	1.0
103.05479	2.3
105.03380	1.5
105.07017	2.0
107.04963	5.0
109.02893	4.7
109.06529	0.5
110.07148	0.3
111.00845	0.4
111.04467	0.4
111.57188	0.5
113.94231	0.4
115.03904	0.6
115.05491	2.0
116.07051	0.5
117.03362	0.4
117.07053	2.2
119.04953	4.2
119.08578	0.6
120.08116	12.7
121.02881	7.0
121.06469	0.9
123.04433	4.6
123.06696	1.3
125.02326	0.4
127.03938	2.8
128.06227	1.2
128.07120	0.5
129.07010	2.3
129.10248	0.7
130.05011	1.5
130.08682	0.4
131.04941	3.8
133.02853	1.8
133.05006	1.0
133.06480	1.8
135.04446	3.2
136.07584	1.4
137.05949	1.7
139.02914	0.7
139.03918	6.2
141.06645	0.4
143.04971	0.7
145.02834	0.9
145.05078	2.0
145.06474	4.4
147.04416	5.4
149.02342	0.7
149.05977	2.9
150.07762	70.4
151.03909	6.4
151.07541	0.5
153.01862	1.0
155.04935	0.9
155.06079	0.5
157.06422	1.8
158.07338	0.4
159.04437	3.2
160.05098	0.4
161.02364	1.3
161.05984	4.7
163.03918	31.5
165.05498	5.5
165.09042	0.4
166.08656	6.9
167.03407	1.0
167.07024	0.4
169.04988	14.6
171.04443	2.1
173.02283	0.7
173.06006	3.5
175.03937	3.4
175.07437	0.5
177.01866	2.6
177.05469	3.8
179.03450	0.9
179.07057	2.1
181.04971	77.2
183.04520	0.4
184.05307	0.3
185.05992	2.3
186.09119	1.7
187.03926	17.4
189.01837	4.1
189.05498	7.0
189.09167	0.5
190.09474	1.0
191.03558	1.5
191.07077	0.6
193.04974	10.1
193.08633	0.8
195.02892	2.9
195.06496	0.4
199.04012	0.5
200.04927	0.6
201.05495	5.0
203.03418	2.6
203.07045	2.2
204.07397	0.6
205.04976	24.9
206.05745	0.5
207.02925	6.3
207.06538	14.8
209.04482	2.2
211.03947	0.6
213.05481	4.7
215.03455	1.6
217.04973	5.3
218.05769	1.3
219.06577	6.1
221.04442	3.4
221.07951	1.9
223.06084	1.6
229.04973	22.0
231.06551	9.5
232.09657	1.8
233.04474	7.7
235.06021	20.3
236.07463	1.0
241.04961	4.8
247.06041	100.0
249.03326	0.4
249.07603	4.4
251.12694	0.4
253.07053	0.6
259.06030	17.1
260.10257	0.6
265.07074	11.2
277.07092	19.6
278.10208	3.3
295.08261	23.2
295.11365	2.0
295.13678	2.3
295.17239	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	294.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
54.33812	0.7
55.01872	2.3
55.05521	12.6
57.07083	1.9
65.03958	0.8
66.67841	0.7
67.05510	39.0
69.03427	3.4
69.07071	6.4
70.84431	1.6
71.04993	1.0
72.08162	24.4
79.05496	21.0
81.03416	1.7
81.07063	24.7
81.15665	0.8
83.04987	2.1
83.08633	3.9
91.05476	6.2
93.06486	1.4
93.07052	23.5
95.04989	1.6
95.08612	51.9
97.06532	1.8
97.10149	1.9
105.07035	3.0
107.04942	1.0
107.08604	14.6
109.06484	1.5
109.10161	10.6
111.11765	0.8
117.07042	1.3
119.08538	2.5
121.10153	25.5
123.08087	1.4
123.11736	2.1
130.25175	0.8
131.08533	2.3
133.10187	1.5
134.26031	0.8
135.11684	9.7
137.09607	2.3
145.10126	3.4
149.09694	0.9
157.38092	0.8
161.13260	1.4
165.75917	0.8
177.16412	7.6
187.14862	1.4
205.15910	1.7
276.23248	100.0
285.10123	1.0
294.24316	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	294.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.01862	2.2
55.05271	0.9
55.05519	13.0
57.07084	1.7
61.91949	0.7
62.53195	0.7
65.03941	1.4
67.05514	42.2
68.90802	0.7
69.03452	4.2
69.07074	7.6
69.91405	2.6
69.91821	1.5
71.04990	0.7
72.08163	26.2
72.64395	0.8
79.05502	25.6
79.13474	0.7
80.05840	0.9
81.03429	1.4
81.06592	1.2
81.07063	24.5
83.04988	1.5
83.08639	5.5
85.06564	0.8
89.04432	0.8
91.05489	7.8
93.07051	22.9
95.04984	1.6
95.08618	65.1
97.06510	1.0
97.10168	1.9
98.06023	1.3
98.21400	1.4
105.07034	3.5
107.04976	1.3
107.08609	14.3
109.06506	1.6
109.10184	9.5
111.08082	1.0
117.07011	1.2
119.08610	4.3
121.10149	22.6
123.08043	2.1
123.11685	1.6
131.08546	2.9
133.10161	1.3
135.11707	9.6
137.09645	2.1
145.10112	2.1
161.13187	1.2
163.14885	1.4
175.02748	0.7
177.16418	9.9
186.03841	0.8
187.14851	1.9
205.15866	2.0
237.15634	0.7
238.11674	1.6
249.20465	1.9
276.23254	100.0
294.24283	3.7
295.39288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.243
Annotation	Lanyuamide I
Peak:m/z	Relative Intensity
53.03955	7.2
55.01881	9.1
55.05268	1.0
55.05516	10.9
56.05028	1.8
57.07085	4.6
60.68961	0.7
66.04721	3.4
67.05184	1.2
67.05515	16.2
69.07076	35.1
70.82773	1.6
70.83118	1.1
71.07386	4.1
71.08624	1.7
72.08162	27.0
79.05502	24.8
79.05879	0.6
81.03426	18.3
81.07066	12.5
83.04987	1.6
83.08604	1.1
85.06519	0.7
91.05489	9.3
93.07057	18.7
94.04195	2.5
95.04984	7.4
95.08606	8.7
97.06545	3.0
103.05476	1.4
105.07037	5.7
106.07336	0.9
107.04980	5.5
107.08609	12.7
109.06578	0.8
109.10168	4.3
117.07048	5.0
119.08590	5.5
121.06501	3.0
121.10159	15.7
123.08121	1.3
123.11711	1.7
131.08577	7.6
133.10092	1.5
135.08076	6.6
135.11699	6.2
145.10149	4.2
147.11621	1.0
148.25166	0.7
149.09624	2.4
149.13365	0.9
157.02188	0.7
159.11728	1.5
165.11496	6.6
168.46974	0.8
177.16393	3.3
183.64799	0.8
187.14902	2.0
205.15898	26.9
210.91852	0.8
276.23248	100.0
294.21463	1.1
294.24405	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.2
56.95173	0.2
57.07075	1.2
66.04724	0.3
67.05492	0.5
69.07076	0.3
71.08646	1.0
71.52498	0.2
73.71497	0.2
79.05492	0.6
81.07072	1.1
86.95980	0.2
91.05470	0.8
93.07036	0.3
94.04200	1.7
95.04982	0.4
100.69901	0.2
105.07046	0.4
107.04955	0.4
107.08586	0.3
109.06520	0.3
120.04463	0.4
122.03661	6.2
126.09096	0.2
133.19688	0.2
134.05978	0.4
137.05988	100.0
138.06322	0.4
141.12749	2.2
144.08145	0.3
158.15396	1.1
170.15405	0.6
223.07674	0.2
234.06685	0.2
236.07977	0.3
249.09312	0.2
251.07077	1.7
263.10281	0.6
266.12546	0.2
276.15976	0.4
276.20074	0.6
279.06497	0.9
279.09668	0.4
280.07449	0.4
294.08759	1.2
294.12100	2.0
294.20740	0.7
295.09726	4.4
295.13229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2067
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
53.67268	0.2
55.01874	0.3
55.96993	0.2
57.07078	1.2
59.58403	0.2
66.04708	0.3
67.05498	0.5
69.07060	0.2
69.17774	1.6
71.08642	1.0
79.05501	0.6
81.07064	1.3
83.08649	0.2
88.07642	0.3
91.05486	0.6
93.07044	0.2
94.04185	1.9
95.04978	0.4
98.20666	0.3
105.07052	0.4
107.04943	0.4
107.08585	0.4
109.06523	0.4
118.63396	0.2
120.04466	0.4
122.02760	0.3
122.03655	6.1
131.08530	0.2
134.06010	0.6
135.11623	0.2
137.05989	100.0
138.06342	0.3
141.12749	2.5
144.08131	0.3
148.49361	0.2
149.09673	0.3
158.15413	1.5
159.08128	0.2
170.15390	0.6
251.07080	1.3
262.09369	0.2
263.10388	0.5
264.07364	0.4
264.11237	0.2
266.12448	0.2
276.16046	0.2
276.20010	0.3
279.06537	0.8
279.09607	0.4
280.07477	0.3
294.08691	1.0
294.12152	2.0
294.20779	0.5
295.09695	3.5
295.12906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.3
55.01867	3.2
55.05514	20.1
56.05029	8.4
56.84211	2.4
57.03419	6.8
57.07061	10.1
65.03932	3.9
67.05509	59.0
68.05032	2.6
68.26546	2.2
69.07073	23.0
69.85204	10.0
70.06598	3.2
71.04994	2.4
71.08637	100.0
79.05495	30.8
80.05019	4.1
80.49008	2.0
81.03409	5.5
81.07062	49.3
82.06570	8.3
82.07378	8.4
83.04970	11.4
83.08633	7.4
84.08124	3.7
84.08926	2.6
91.05495	21.5
93.05750	2.8
93.07046	33.5
94.06569	4.3
95.04984	4.5
95.08602	28.7
96.08115	6.1
96.08965	4.6
97.06538	8.8
97.10162	2.3
99.08096	90.4
103.05524	2.6
105.07041	14.6
106.05437	2.1
107.08607	11.7
109.10177	14.2
110.09654	4.0
117.07018	7.9
119.08598	10.1
120.08092	6.5
121.10139	7.9
122.09715	2.8
123.11739	11.2
124.11222	4.1
124.12046	7.8
127.11201	4.0
129.06993	2.1
130.07759	3.1
131.08591	3.0
133.10115	6.3
134.09616	6.2
135.11728	8.2
135.69685	2.1
136.11198	8.1
138.12700	2.7
143.08578	3.0
145.10085	8.8
147.11635	2.9
151.11139	4.3
153.12773	2.6
162.12755	14.8
167.14397	2.2
178.15877	11.9
196.16971	30.6
258.22235	2.6
268.95206	2.3
276.23209	25.2
294.21774	2.7
294.24454	22.7
319.91476	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	294.1704
Annotation	CHEBI:66481
Peak:m/z	Relative Intensity
53.03932	0.3
55.01881	1.7
55.05521	1.6
57.03436	0.3
58.06605	0.7
60.04552	0.4
67.05526	0.4
68.93687	0.3
69.03424	1.2
69.07072	0.4
70.02950	0.5
70.06599	4.0
71.04983	1.0
72.08162	2.8
79.05488	0.6
81.07056	0.6
82.89085	0.3
83.04993	0.5
83.08628	1.9
84.04544	0.7
84.08157	3.9
85.02894	1.0
86.09721	2.6
87.04479	0.8
91.05501	2.1
93.07072	0.3
95.05009	0.5
96.04489	0.5
96.08126	0.8
97.02891	1.1
97.06535	1.0
98.06074	0.6
103.56847	0.3
107.08606	3.1
109.60232	0.3
110.07208	0.7
112.07629	0.5
115.03928	0.7
116.07104	0.7
119.04974	0.3
120.08123	1.4
121.09975	0.3
122.06043	5.6
122.09676	0.3
124.07616	0.3
125.09631	2.7
129.10278	2.4
130.08589	0.3
133.04958	0.5
136.07562	1.5
136.86571	0.3
137.06044	0.3
140.07080	25.2
142.08652	1.1
144.06583	0.6
145.02844	0.3
147.04427	0.7
159.11411	0.3
162.07661	0.3
163.03819	0.4
166.12325	1.6
168.06581	20.7
177.05475	0.5
182.11809	1.9
206.15446	0.4
211.12085	4.1
233.51036	0.3
248.09277	0.5
252.15974	21.7
276.16714	0.3
283.66037	0.3
294.17035	100.0
295.17328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01869	1.1
55.05505	3.7
57.07071	3.1
58.06606	19.5
61.24852	0.8
65.03940	1.9
66.57018	0.8
67.05183	1.4
67.05513	21.1
68.02659	1.0
69.07051	3.2
70.06607	1.2
70.57059	1.3
70.57379	1.7
70.65885	0.9
77.03886	1.0
79.05502	100.0
81.03408	1.7
81.06587	1.4
81.07065	25.7
83.05000	1.0
84.08153	75.6
85.05253	1.7
85.06537	4.6
91.05489	46.4
93.06490	1.0
93.07060	13.0
95.04980	17.9
95.08605	1.3
97.06515	2.7
98.06026	1.3
98.21128	2.1
102.09186	17.3
103.05421	1.2
104.19920	0.7
105.07037	47.7
106.04160	1.0
107.04964	8.6
107.08606	63.9
109.06496	3.9
115.05447	1.0
117.06991	3.7
119.04912	1.2
119.06049	2.3
119.08598	18.0
120.04466	2.0
120.05759	1.0
120.10226	6.4
121.06510	0.9
129.07042	5.1
131.08586	7.4
133.06502	3.0
133.10143	15.4
142.07785	2.7
144.08054	1.4
145.06448	1.2
145.10129	3.7
147.08089	5.1
147.11699	48.5
148.10783	0.8
149.13264	2.3
150.17039	1.1
157.10133	4.9
162.76311	0.8
169.10997	2.6
175.11212	10.3
204.13777	2.1
206.84088	0.9
210.31218	0.8
232.16902	1.9
258.18527	23.0
276.19608	36.9
294.20654	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01860	1.4
55.05522	6.0
57.07071	4.6
58.06608	11.2
67.05508	12.6
68.02648	1.4
69.03429	1.6
69.07073	10.3
70.06618	1.4
71.04974	1.1
71.06535	1.1
71.06868	1.8
71.58896	0.9
72.08160	11.3
72.09787	1.0
73.08411	1.0
79.05500	100.0
81.03426	2.1
81.07063	20.3
83.04999	2.4
83.08606	1.6
84.08151	50.3
85.05293	1.6
85.06543	4.3
91.05487	31.2
93.07057	17.1
95.04975	13.5
95.08620	3.6
97.06526	3.5
98.06059	1.3
102.09179	11.5
103.73576	1.0
105.07043	23.0
106.02909	1.5
107.04961	18.6
107.08604	82.6
109.06532	4.2
109.10181	2.3
110.26444	1.1
115.05463	1.6
117.07049	5.8
119.06099	1.6
119.08585	6.6
120.04454	2.9
120.10243	2.4
120.16349	1.1
121.06492	2.5
121.10158	3.3
123.04423	1.5
123.11691	1.1
124.03962	21.8
129.06999	2.5
129.93205	1.0
131.08583	8.6
133.06514	3.2
133.10138	11.7
134.06004	4.5
135.08104	5.9
137.05989	1.9
144.08080	1.9
145.10103	1.3
147.08061	4.2
147.11705	14.6
149.09654	2.3
149.13242	2.0
151.09955	1.1
157.10153	2.8
159.08037	1.7
161.09647	4.3
163.14848	2.4
169.11015	6.1
175.11197	11.0
177.09064	2.0
182.11668	1.1
182.43140	1.1
187.07616	1.6
187.14879	1.4
192.55263	1.0
205.08635	1.4
205.15894	1.5
228.31721	0.9
258.18573	23.6
261.37958	1.3
276.16010	20.4
276.19620	37.6
276.22827	1.3
276.62476	1.0
294.08914	1.7
294.12094	1.3
294.17023	8.4
294.20679	10.6
294.24283	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	294.1702
Annotation	NSC 66645
Peak:m/z	Relative Intensity
52.49427	1.3
53.03944	1.5
55.01869	3.7
55.05511	5.8
57.03497	1.1
67.05498	5.3
69.45558	8.9
70.54375	1.1
71.04996	4.3
71.07379	3.0
72.08161	46.8
79.05503	22.5
81.03423	4.6
81.07055	4.8
83.04932	1.7
91.05489	16.8
93.07059	11.9
95.04984	12.3
98.06040	1.3
99.04443	3.4
105.07041	10.3
107.04975	11.0
107.08608	13.5
109.06507	3.7
111.04467	4.5
115.05461	3.3
116.06239	1.5
117.07040	25.5
119.04961	2.0
121.06519	1.0
121.10149	7.3
123.04427	10.1
125.15533	1.0
129.07024	2.4
131.04964	1.4
131.08585	16.7
133.06509	8.6
135.04407	1.2
135.08055	22.2
137.05984	10.0
139.03970	1.9
139.09935	4.7
141.07030	1.6
143.08568	2.0
145.06444	4.7
149.09613	8.4
155.18375	1.2
159.08089	13.1
161.09608	18.5
163.07574	5.0
163.99591	1.3
176.08333	1.2
177.09131	19.0
178.52577	1.1
187.07538	9.1
205.08633	12.3
206.15475	1.3
255.44916	1.2
258.14923	3.2
266.67566	1.4
276.15973	100.0
294.17114	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	294.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46704	1.5
53.03932	5.9
55.01882	10.8
55.05512	10.8
56.05035	2.1
58.06601	2.3
58.50777	1.4
65.03933	4.8
67.04218	1.5
67.05515	11.0
69.03420	4.8
69.07066	2.7
69.48431	2.3
69.48840	8.4
70.06590	5.4
71.04992	1.8
71.07367	5.5
72.08165	42.5
79.05132	1.4
79.05509	12.6
81.03438	12.6
81.07065	8.3
82.03770	2.2
82.06585	1.7
83.04974	2.5
84.08156	1.7
85.02940	1.8
91.05492	75.5
93.03424	7.4
93.07062	21.0
95.04988	15.8
95.08602	6.0
96.04532	1.6
98.06046	5.8
103.05478	1.9
105.03394	2.8
105.07061	11.0
106.06578	3.1
107.04427	1.5
107.04975	20.1
107.08595	6.0
109.02892	5.0
109.06584	2.7
109.10084	2.2
110.06031	2.9
111.04409	2.0
115.05456	6.6
116.06190	3.0
117.07033	21.8
119.04964	20.5
119.08591	4.6
120.08083	3.1
121.06548	3.2
121.08884	6.4
121.10161	4.4
123.04407	2.6
128.06259	3.2
129.07028	8.4
131.04915	5.2
131.08585	62.1
132.05264	3.2
133.06517	7.2
133.10121	6.3
133.35284	1.6
134.09642	3.0
135.08076	6.1
136.07562	1.5
137.05981	10.8
139.09921	6.2
141.07001	16.9
143.08556	5.1
144.05692	8.5
145.06471	6.0
145.10121	1.7
149.09630	5.8
150.09973	2.8
152.10632	1.9
158.09689	2.2
159.06847	2.9
159.08072	43.3
161.09634	16.4
162.09125	3.4
163.07576	2.6
169.06500	8.0
169.07686	1.9
173.09558	1.5
177.09108	6.4
186.09096	2.0
187.07561	38.9
205.08635	8.5
230.15382	7.7
232.16974	3.5
240.13849	3.3
256.92041	1.5
258.14929	66.7
276.15997	100.0
279.06519	1.5
294.08627	3.3
294.14206	2.7
294.17233	3.4
294.21082	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	294.1702
Annotation	CHEBI:66481
Peak:m/z	Relative Intensity
56.05047	0.9
58.06604	100.0
70.06583	0.4
71.07388	0.8
71.38578	0.8
72.08175	0.5
84.08168	1.4
85.02933	0.4
88.04015	0.9
121.02903	0.5
129.10249	0.5
136.07578	0.5
145.06470	0.6
147.04404	0.5
151.07564	0.5
157.06519	0.6
158.07254	0.6
159.08057	0.5
163.03940	1.1
163.07565	0.7
172.08884	0.8
174.06781	3.6
175.07573	0.8
176.08377	0.5
177.09134	0.8
181.04909	0.5
188.02632	0.6
188.08339	0.9
189.09126	14.3
191.10716	0.7
191.12997	0.5
192.10242	1.7
200.91222	0.4
203.10658	3.3
205.12296	1.1
206.11760	0.7
207.10205	1.3
207.12552	2.3
210.41045	0.4
233.11697	2.4
234.08932	1.6
236.10452	0.9
247.06148	0.6
248.12888	0.8
249.11185	3.2
251.12802	3.9
263.15228	1.1
279.14587	1.3
294.17014	97.7
295.17374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1703
Annotation	NSC 66645
Peak:m/z	Relative Intensity
50.81918	0.9
53.03962	6.4
55.01880	7.0
55.05517	5.8
56.05038	1.5
58.06605	1.9
65.03960	2.6
67.05520	4.5
67.31783	0.9
70.06578	1.9
70.85106	1.7
70.85447	2.0
71.07372	8.9
72.08164	46.9
74.06019	0.9
77.03922	1.5
79.05495	11.9
81.03423	3.7
81.07058	6.2
83.04999	2.4
84.08091	1.3
91.05493	100.0
93.03432	7.6
93.07048	21.4
94.04248	1.2
95.04977	33.2
95.08609	1.6
96.04504	2.7
97.02888	2.0
98.06029	1.7
103.05489	2.1
105.03442	2.1
105.04524	4.3
105.07048	5.1
106.06565	1.7
107.04954	5.3
109.02933	1.1
109.06543	3.2
111.04493	1.0
115.05479	8.3
116.06236	2.1
117.07027	38.8
119.04955	26.7
119.08578	8.3
121.06504	2.6
121.08936	1.1
123.04427	6.9
124.07558	2.1
125.01743	0.9
128.06262	5.7
128.07079	1.6
129.07028	2.0
131.04959	1.8
131.08574	18.6
133.06509	2.9
133.10144	4.3
135.08090	2.8
137.05991	37.4
139.09940	16.5
141.06993	5.2
143.08565	8.7
144.05685	2.5
145.06499	21.8
146.07321	1.0
147.04451	1.3
149.09631	1.6
155.06062	1.3
158.04872	1.1
159.08069	21.0
160.07585	1.6
161.09654	11.3
163.07562	4.1
169.06514	3.7
177.09160	3.4
187.07561	16.0
190.12262	1.6
205.08636	16.4
230.15430	1.6
232.17050	3.2
240.13780	1.4
258.14938	30.8
258.45413	1.0
276.15979	93.0
294.17108	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	294.1703
Annotation	NSC 66645
Peak:m/z	Relative Intensity
53.03951	7.0
55.01877	10.3
55.05515	6.1
56.05052	2.0
58.80723	1.9
60.32815	1.7
65.03937	6.9
67.05511	9.9
69.91180	4.1
69.91554	7.0
70.06590	3.8
71.04986	1.8
71.07364	6.6
72.08161	44.5
76.66897	1.8
79.05504	10.9
81.03440	10.2
81.07056	4.5
82.06594	3.6
83.04932	2.1
91.05487	91.1
92.33111	1.9
93.03419	10.6
93.07056	22.7
94.06583	2.8
95.04985	13.5
95.08617	2.4
98.06062	2.7
98.98257	2.1
103.05499	2.1
105.03444	2.3
105.07042	8.7
106.06570	3.8
107.04951	13.8
108.08144	3.5
109.06504	2.1
115.05482	4.8
116.06267	2.9
117.07034	19.2
119.01393	2.0
119.04944	26.2
119.08564	6.9
120.08106	7.2
121.02938	1.9
121.06508	2.4
121.08882	9.3
121.10168	2.6
124.07607	2.6
128.06238	5.5
129.07007	8.2
131.04919	4.6
131.08582	64.2
133.06511	4.6
133.10147	5.0
134.09642	6.1
137.05978	13.8
138.09171	2.8
139.09917	8.7
141.06984	16.4
143.08536	3.4
144.05711	9.1
145.06525	10.6
146.09680	1.9
147.08057	2.2
147.11650	1.7
150.10063	2.9
159.08064	47.2
161.09677	6.8
162.09192	9.0
169.06509	9.6
169.07814	2.7
186.09195	3.3
187.07573	42.3
205.08650	4.1
230.15376	8.6
232.17007	2.9
240.13844	4.5
258.14920	98.9
276.15976	100.0
280.27197	1.8
294.14172	3.4
294.17068	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	294.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01879	0.2
57.03430	0.1
57.07068	0.2
65.03935	0.3
67.05505	0.4
68.08491	0.1
69.78946	0.8
73.48635	0.2
77.03929	0.3
78.04706	0.3
79.05495	2.2
81.07071	0.4
87.65044	0.1
91.05486	4.4
95.04978	0.5
95.08604	0.2
98.20799	0.1
98.69126	0.1
105.03394	0.4
105.04533	0.2
105.07014	0.3
106.04188	0.4
106.06562	8.2
107.04949	0.3
107.08588	0.3
108.08129	0.3
109.06526	0.6
116.04983	6.0
119.06077	0.5
122.03659	0.3
132.04457	0.4
132.62352	0.1
134.06023	100.0
135.06367	0.3
137.05984	5.6
144.08089	3.9
157.07582	0.2
161.10774	0.5
210.12097	0.2
238.11531	0.3
276.15063	0.8
276.20206	0.2
294.16013	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	294.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.2
58.06611	0.2
65.03938	2.2
67.05509	0.4
69.07074	0.3
70.06592	0.2
70.94301	0.2
70.94647	0.5
72.08165	0.4
79.05490	0.8
81.07064	0.4
82.07408	0.2
84.08122	0.2
91.05493	0.7
92.02790	0.2
92.05016	11.6
93.07046	0.6
103.05481	0.2
105.07047	0.4
107.08604	0.3
108.08986	0.2
112.05006	0.2
112.62090	0.2
115.05367	0.2
117.07035	1.4
118.85159	0.2
119.08604	0.3
119.84037	0.2
120.04479	100.0
121.06544	0.2
132.08116	1.7
134.06064	0.4
143.07320	0.6
144.08098	53.3
145.06523	0.2
145.08493	0.2
145.10158	0.3
148.10547	0.2
149.09576	0.2
151.08681	1.5
155.06035	0.2
163.08653	0.4
175.12331	3.9
201.10304	1.2
233.10863	0.2
248.09557	0.3
251.11826	0.7
263.11801	1.7
276.14984	1.2
276.20328	0.4
294.16010	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	294.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
58.06604	43.3
60.04510	0.5
65.03915	0.5
67.05500	0.5
68.05028	0.5
70.06599	1.9
71.52724	0.4
72.08150	0.7
73.02894	0.4
79.78025	0.4
82.06583	2.1
83.07378	0.8
84.04482	0.5
84.08154	4.1
85.02917	0.7
86.09691	1.9
88.03999	16.5
91.05444	0.7
92.21672	0.4
93.03412	3.0
95.04964	1.7
97.02896	0.6
107.04975	0.9
107.80794	0.4
111.67535	0.3
117.07004	0.6
119.04937	0.9
120.08092	1.7
121.02879	29.3
121.06517	1.9
124.07598	9.5
128.06250	0.8
128.07089	4.9
129.07019	1.0
130.04855	0.4
131.04913	0.7
131.08601	0.4
134.02711	0.5
137.05019	0.6
137.06001	6.5
140.36880	0.4
143.08577	0.9
144.05641	0.5
145.06540	2.1
147.04492	1.9
147.08063	1.9
148.04771	0.9
149.05963	1.3
150.07759	0.7
151.03914	0.9
151.07542	3.7
153.05495	1.1
157.06483	0.6
158.07181	0.9
159.08029	2.1
160.05179	0.9
161.05992	3.4
163.03922	1.3
163.07637	1.0
166.08676	0.7
171.08032	0.7
173.06015	1.1
174.06760	1.8
175.07547	2.2
177.09125	2.7
179.07065	3.8
181.04962	1.8
187.03841	0.5
188.08400	0.5
189.09119	6.8
189.10892	0.6
189.11449	0.5
190.06187	0.5
191.07034	1.7
192.10162	0.5
193.04984	0.6
193.08702	2.1
195.06560	2.7
199.07524	1.1
201.09097	1.2
203.05301	0.7
203.07062	8.9
203.10661	0.6
205.00821	0.6
205.04916	0.7
207.10255	0.8
207.12546	0.9
217.08621	6.1
219.10150	5.4
229.04880	0.7
230.11757	0.8
232.13293	1.2
233.11754	1.1
234.09001	0.5
236.10538	0.7
245.08034	2.5
247.06052	3.4
248.12837	24.5
249.11264	0.8
250.14523	0.5
251.12740	1.7
263.09113	1.5
263.15234	0.5
276.12286	0.5
279.14624	0.7
294.13333	100.0
294.16937	41.5
295.08267	0.9
295.13666	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01872	2.4
55.05515	24.1
56.96565	0.8
57.03438	0.8
57.06828	1.3
57.07081	16.1
59.04993	1.1
65.03926	0.9
67.05511	31.4
69.03451	0.9
69.07072	51.5
69.21111	7.2
71.04993	1.5
71.08633	6.3
79.05504	12.3
81.07063	95.0
83.05007	1.3
83.08625	29.6
84.08166	1.0
85.02921	1.2
85.06551	11.0
85.10201	1.6
86.09721	0.7
90.80408	0.7
91.05495	4.7
93.07048	15.5
95.04973	1.2
95.08616	100.0
97.06551	3.7
97.10177	16.5
98.97604	2.4
99.08105	10.4
103.05498	1.1
105.07024	4.1
107.08600	15.5
109.10165	60.8
111.08090	5.3
111.11726	11.9
113.09646	2.6
116.98666	1.2
118.64424	0.8
119.08583	2.4
121.10151	11.8
123.08078	1.3
123.11722	35.1
125.09639	3.6
125.13290	6.7
131.04926	2.5
131.08556	0.8
131.26917	0.8
133.10155	2.5
135.08163	0.8
135.11703	7.7
137.13268	43.4
139.11217	0.9
139.14859	2.2
141.12738	1.1
143.08575	0.8
144.53217	0.9
147.11696	1.7
149.02278	0.8
149.09628	1.0
149.13268	13.2
151.14828	7.2
153.12756	2.8
155.14316	2.1
159.11691	0.9
161.13362	0.8
163.11160	1.2
163.14818	5.3
165.16402	5.1
167.14317	5.5
169.15955	1.5
177.16409	1.4
179.08498	1.1
179.17966	3.1
183.17461	0.8
183.29933	0.8
191.17953	2.1
193.19534	1.9
194.07391	1.1
194.34607	0.8
205.19533	1.1
207.08134	1.8
219.21162	1.6
223.07539	0.9
223.20639	1.3
225.93121	0.8
235.07637	3.8
237.09160	1.0
237.22078	0.9
261.09180	1.0
263.07098	2.0
265.08679	1.7
275.20041	5.3
275.27417	5.1
278.05798	3.8
293.08090	10.2
293.11368	1.9
293.21219	2.2
293.28397	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2841
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03946	2.0
55.01887	2.2
55.05267	1.6
55.05515	21.3
56.96547	1.2
57.03421	1.5
57.07083	11.7
65.03937	1.2
66.90984	1.0
67.05513	35.8
69.03455	1.8
69.07079	44.3
69.35143	7.3
70.06596	2.5
71.05002	2.6
71.08633	2.3
72.08143	1.4
78.14130	1.2
79.05502	12.8
81.03416	3.5
81.07065	86.7
83.04997	1.9
83.08147	1.7
83.08627	25.0
85.06549	13.1
86.09708	1.2
91.05486	13.4
93.07053	14.7
95.04974	3.2
95.08617	100.0
97.06536	4.5
97.09625	1.9
97.10185	17.2
98.21528	1.1
98.98466	1.2
99.08101	9.6
101.56135	1.1
103.05489	1.5
105.07043	5.1
107.04962	1.5
107.08600	17.0
107.54140	0.9
109.02893	3.6
109.06541	1.8
109.10168	66.4
111.08089	3.3
111.11734	11.7
113.09650	3.0
116.07105	2.4
117.07058	1.4
119.08587	4.1
120.08086	1.6
121.10155	11.3
123.08135	1.4
123.11724	35.4
125.09625	3.5
125.13283	6.6
131.04939	7.2
131.08583	3.2
133.10167	3.7
135.11699	9.3
137.06027	1.1
137.09636	1.9
137.13272	30.3
139.14822	1.9
145.10101	2.3
147.04407	1.4
147.11736	1.9
149.05994	1.2
149.09613	3.1
149.13255	10.4
151.07576	1.4
151.14807	9.2
153.09174	1.0
153.12753	2.0
155.14334	1.8
159.11729	1.8
161.13260	2.3
163.03854	1.2
163.11244	1.7
163.14832	4.3
165.16382	5.0
167.14369	1.9
169.15906	2.1
173.13266	1.2
177.16425	3.4
179.08638	1.1
179.18002	2.8
183.17287	1.2
191.18045	1.9
193.19572	2.2
196.13367	4.6
205.06621	1.4
205.19563	2.1
219.21223	1.3
223.20576	1.3
233.04474	1.2
235.07639	1.8
237.22247	1.5
250.06087	1.2
250.09850	1.3
257.19183	1.5
263.07001	1.6
265.08505	2.5
275.09076	1.2
275.16714	2.0
275.20004	5.8
275.27319	4.5
278.05997	1.2
278.09546	1.4
293.08096	12.8
293.11621	7.1
293.21295	7.7
293.28409	43.5
294.20569	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35336	1.4
53.03937	2.1
55.01854	3.1
55.05516	26.8
56.96561	5.3
57.07077	16.7
58.06586	3.9
59.38745	1.4
67.05142	1.3
67.05506	34.1
69.03413	4.1
69.07073	61.4
70.06577	1.7
71.05000	2.9
71.08635	8.5
71.52998	2.3
72.08150	4.9
73.02910	1.6
76.45432	1.4
79.05135	1.3
79.05502	14.8
81.03428	10.7
81.07059	100.0
83.08621	34.8
85.06541	11.7
85.10187	2.9
86.09689	4.3
91.05495	12.3
93.06493	1.8
93.07054	29.3
95.04966	3.5
95.08611	90.6
95.59754	1.5
96.08991	1.4
97.06528	3.6
97.10167	21.9
97.99165	5.3
98.97600	2.7
99.08097	12.0
103.05474	3.5
105.03406	2.3
105.07035	7.9
107.04947	8.6
107.08596	31.3
109.02889	7.4
109.06480	2.7
109.10164	59.2
110.16910	1.6
111.08087	15.8
111.11725	10.9
116.00197	3.4
117.07049	2.4
119.04956	2.9
119.08591	6.1
121.10153	19.4
123.11719	44.3
125.09647	2.9
125.13274	6.1
129.06973	1.9
131.04944	12.4
131.08574	3.3
133.10164	1.9
134.01279	2.2
134.05980	2.1
135.08070	1.7
135.11708	10.7
136.07562	3.4
137.13252	37.4
139.11212	3.1
143.08554	2.8
145.06487	1.9
145.10130	2.2
147.04460	2.9
147.11699	2.7
149.09618	6.2
149.13261	29.6
151.11200	1.6
151.14821	6.1
153.12730	3.1
161.09613	13.3
163.14833	8.5
165.16446	2.9
167.14348	16.4
175.03899	2.3
177.16409	4.7
179.18019	4.3
184.29135	1.5
187.07582	2.0
193.19594	3.1
202.07405	2.0
205.19527	2.6
219.21194	2.0
225.07521	4.2
235.07425	2.0
237.22198	1.8
247.07324	1.7
249.25862	3.0
250.06195	2.4
250.09732	1.7
263.07083	2.1
268.09857	2.0
275.20023	5.3
275.27274	10.4
279.13623	12.6
279.63620	4.7
286.10730	4.9
292.66226	1.6
293.08301	7.6
293.11353	5.8
293.13763	7.0
293.21185	2.4
293.25226	3.2
293.28381	56.9
293.63574	3.3
302.13889	7.1
313.64700	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	293.2841
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
55.05273	1.5
55.05516	20.9
56.64141	1.0
57.07083	12.3
60.31678	1.2
67.05514	32.5
69.07075	48.5
70.23026	3.3
71.08633	5.6
76.09753	1.0
77.68887	1.0
79.05499	7.1
81.07066	89.2
83.08625	27.1
85.06554	11.4
89.92579	1.0
92.32070	1.1
93.07056	9.3
94.25707	1.2
95.08616	100.0
97.10183	16.8
98.20804	1.4
99.08115	11.4
104.92918	1.1
107.08602	9.1
109.10170	65.9
111.08091	2.5
111.11737	13.8
113.09645	3.8
119.08522	1.1
121.10170	6.9
123.11723	35.5
125.13263	6.5
135.11678	6.8
136.72798	1.1
137.13269	30.1
139.14786	2.8
141.12756	2.0
147.51134	1.0
149.13292	10.6
151.14847	9.1
153.12767	1.5
163.14864	6.0
165.16397	5.2
167.14343	1.5
169.15906	1.5
177.16414	3.2
179.17964	3.6
183.17453	1.2
191.17963	1.6
193.19586	1.8
205.19585	1.4
207.21107	1.5
219.21112	1.9
237.22122	1.6
249.25949	1.2
262.15027	1.2
275.27420	4.9
293.08701	1.2
293.11749	5.0
293.28397	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2477
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.05515	11.6
57.07064	7.4
62.65479	1.6
65.03950	3.7
67.05135	3.6
67.05508	90.4
69.07072	10.3
69.40416	11.4
79.05497	16.2
81.07064	100.0
83.08646	8.4
85.06532	2.3
91.05497	8.2
93.07061	16.7
95.08616	86.2
97.06541	2.2
97.10175	3.7
105.07031	7.2
107.08586	14.4
109.06570	2.3
109.10158	33.0
111.04394	2.2
117.07017	4.2
119.08581	5.1
121.10174	10.4
123.08075	3.0
123.11728	21.6
131.08580	7.9
133.10133	5.9
135.11716	9.6
137.09599	3.2
137.13261	10.1
144.34241	1.8
145.10129	5.8
147.11688	4.7
149.02396	2.3
149.09642	3.8
149.13243	5.9
151.11200	2.9
151.14832	5.4
159.11713	5.7
161.13271	3.6
163.11186	5.2
163.14828	4.7
165.16383	1.9
173.13266	5.9
177.12766	5.2
177.16359	3.2
184.85785	1.8
187.14822	4.9
191.14308	2.6
205.15985	2.4
209.11710	3.9
237.11150	9.8
237.18517	2.2
243.21077	7.4
251.38309	1.9
261.22076	9.7
275.20120	9.4
293.11725	2.3
293.21466	2.3
293.24683	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	293.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.9
55.01864	3.0
55.05500	11.4
57.07081	20.7
60.04525	2.7
64.23481	2.5
67.05519	14.9
69.03436	5.0
69.07068	7.1
69.60041	18.5
74.09740	13.3
74.80860	3.0
79.05501	80.0
81.03416	4.2
81.07068	23.4
83.04993	4.9
83.08619	4.3
87.09402	2.9
91.05483	29.1
91.63841	2.7
93.07053	25.4
95.04967	6.8
95.08640	14.1
98.06061	13.8
105.07051	24.8
107.08603	77.4
109.06560	4.8
109.10143	4.0
110.06137	3.0
119.08576	8.8
121.10146	4.3
125.09629	6.8
126.09132	7.5
131.08559	10.4
133.06551	3.6
133.10132	34.4
136.53436	2.8
141.11496	3.6
141.52623	2.9
145.10110	3.9
145.86888	2.7
147.11681	26.3
149.13278	33.0
154.12283	17.7
175.11215	13.7
237.11255	7.4
248.20120	100.0
275.20081	6.8
293.08026	7.1
293.11475	4.8
293.21103	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	293.2114
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.02378	0.8
53.03950	2.9
55.01881	11.0
55.05518	22.0
57.03443	2.4
57.07074	3.0
59.05001	0.6
65.03957	1.7
67.05513	45.8
69.03439	2.1
69.07076	23.7
69.77094	1.2
69.77506	2.4
71.04996	4.2
71.08652	0.7
72.08134	0.5
73.06580	0.9
78.64357	0.5
79.05501	39.1
81.03435	6.7
81.07066	74.1
83.04987	5.6
83.08628	14.6
85.02924	1.1
85.06557	4.2
87.04485	0.8
91.05492	30.2
93.06584	0.4
93.07052	34.1
95.04982	12.9
95.08618	35.4
97.06542	11.3
97.10187	8.4
99.08116	2.6
101.06042	0.6
103.05508	1.3
105.04528	0.7
105.07042	33.1
107.04966	9.3
107.08610	33.7
109.06539	17.1
109.10168	18.2
111.08092	4.3
111.11718	1.2
113.05984	0.7
113.09608	0.8
115.05487	0.6
117.07022	8.8
119.08593	23.3
121.06528	6.3
121.10159	15.8
123.08086	6.9
123.11728	7.7
125.09647	7.7
127.07556	0.7
127.23563	0.5
129.07051	2.7
130.07794	1.0
131.04976	1.3
131.08585	14.0
133.06526	2.0
133.10147	23.6
135.08066	6.8
135.11697	9.9
137.05972	0.7
137.09627	6.6
137.13266	4.1
139.07578	0.7
139.11172	1.7
141.07013	1.5
143.08580	2.9
145.06483	1.3
145.10135	12.3
147.08084	2.0
147.11703	16.0
149.09633	15.1
149.13283	5.2
151.11197	6.9
153.09212	1.0
153.12721	0.6
155.08646	1.4
157.10130	3.4
159.08080	1.5
159.11699	10.3
161.09647	1.6
161.13264	5.2
163.11220	9.3
163.14825	2.0
165.09123	4.7
165.12753	4.0
165.16344	0.8
169.10133	2.0
171.11644	3.1
173.09639	2.3
173.13278	6.5
175.11244	3.6
175.14801	1.1
177.12761	4.6
179.14317	1.4
181.12187	0.8
183.11723	2.2
185.13274	1.4
187.11206	2.2
187.14842	1.9
189.11240	3.9
189.12790	1.1
191.10677	0.7
191.14293	1.5
193.12283	2.1
195.13818	1.1
197.13271	3.2
201.12703	0.7
201.16472	0.8
205.12241	1.3
205.19518	1.3
211.14824	0.6
213.16550	1.1
215.14258	1.0
215.17992	1.3
219.13766	0.8
221.15233	0.6
223.13258	1.7
229.19528	4.2
232.21201	0.6
233.15446	0.8
233.19023	1.1
235.07588	1.1
239.17949	6.3
247.20656	6.1
257.19009	13.0
263.07074	0.9
265.21658	2.3
275.20090	100.0
278.05835	0.9
293.08096	3.5
293.11334	0.9
293.21152	32.0
293.28235	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
50.44212	2.3
52.74847	2.3
54.58269	2.2
55.05507	9.5
57.07063	6.4
65.03927	3.6
67.05511	82.9
69.03439	2.6
69.07064	8.1
69.45411	16.9
69.45775	2.9
79.05482	12.3
81.07063	100.0
83.08581	5.1
91.05485	5.9
93.07034	8.5
95.08617	73.8
95.09203	2.0
97.06557	2.7
97.10156	4.4
98.20770	5.1
105.07012	5.4
105.60896	2.2
107.08584	10.0
109.10165	46.7
119.08588	5.3
121.10133	10.3
123.11732	28.7
131.08525	2.8
133.10104	5.0
135.08127	2.2
135.11714	5.1
137.09665	3.6
137.13248	11.2
145.10164	4.2
147.11711	5.2
149.13344	4.4
151.14871	3.9
153.05414	2.7
159.11732	4.6
161.13275	3.7
163.14827	3.5
173.13206	2.5
177.12682	3.5
181.04811	2.7
187.14848	3.2
209.11685	7.4
223.16928	3.1
233.22704	2.9
237.11249	11.5
243.21260	4.1
261.22018	6.3
293.21857	1.9
293.24823	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2114
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.21521	0.8
53.03942	2.2
55.01863	3.6
55.05520	13.3
57.03431	1.9
57.07070	2.1
65.04494	1.0
67.05511	31.2
68.05846	1.4
69.03442	1.2
69.07072	22.7
69.97724	4.4
71.04991	2.3
72.08138	3.4
79.05087	1.1
79.05503	17.9
81.03426	1.3
81.07061	30.5
83.04992	7.2
83.08622	5.5
83.95158	1.0
85.06572	2.2
88.08174	0.9
90.27287	0.9
91.05492	17.6
92.05825	1.3
93.06482	1.6
93.07050	23.3
94.07368	1.2
95.04980	7.5
95.08616	19.3
97.06524	3.7
97.10203	2.3
101.36167	0.9
105.07034	22.0
107.04956	6.8
107.08598	14.3
109.06512	9.7
109.10169	9.5
110.10417	1.0
115.05428	1.2
117.07007	5.8
119.08592	15.9
119.31984	0.9
120.08952	1.5
120.34827	1.0
121.06516	9.8
121.10183	6.5
123.08096	5.5
123.11693	3.0
125.09617	1.6
125.74665	0.9
129.07030	2.6
131.08583	14.4
132.08951	1.4
133.06494	2.3
133.10150	17.6
135.08080	5.3
135.11699	4.8
137.09631	2.2
143.08588	2.4
143.72815	1.2
145.06471	1.9
145.10146	9.6
147.08051	3.3
147.11711	11.2
149.09610	4.2
149.13277	2.7
151.11211	7.1
155.08569	1.6
159.08125	1.3
159.11726	5.1
161.09581	3.3
161.13281	3.1
163.11197	4.1
169.10059	1.3
171.11641	2.0
173.09650	1.5
173.13264	4.3
175.11227	2.2
177.12755	2.8
183.11655	2.4
187.11197	2.0
191.14328	2.3
197.13339	1.2
201.12793	2.2
203.14500	1.2
205.19710	1.2
207.13802	3.3
219.13814	5.2
229.19563	2.1
239.18004	3.6
247.20569	3.2
257.19019	13.1
259.13220	0.9
275.19998	100.0
276.20499	1.3
293.21085	30.6
300.20685	1.0
303.53891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.28856	1.1
53.03942	3.3
54.06919	1.1
55.01878	12.2
55.05518	18.9
55.86856	1.1
57.03453	2.1
57.07077	1.6
59.05009	1.5
59.82136	1.0
65.03931	1.5
67.05512	26.3
69.03412	1.9
69.07075	15.9
70.95896	1.9
71.04980	3.7
71.08633	1.1
72.08167	1.4
73.01883	1.1
79.05500	38.9
79.05974	1.9
81.03416	4.2
81.06596	1.5
81.07063	27.7
83.04991	6.2
83.08625	11.0
85.06549	2.1
91.05482	24.3
93.07050	25.8
95.04980	7.3
95.08621	19.9
97.06531	16.7
97.10184	13.6
103.05488	1.3
105.07047	30.7
107.04976	5.3
107.08604	68.9
109.06527	8.2
109.10163	8.4
111.08090	1.7
117.07012	5.7
119.06096	1.4
119.08598	19.3
121.06503	3.0
121.10139	11.7
123.08080	5.2
123.11703	4.7
125.09634	12.4
129.06987	2.9
129.21033	1.1
131.08585	9.5
133.10136	20.6
135.08040	5.4
135.11728	7.5
137.09663	5.2
141.06894	1.0
143.08556	2.5
144.09334	1.1
145.06485	1.5
145.10138	13.1
147.08119	1.1
147.11694	11.9
149.09636	15.7
149.13268	2.8
151.11211	3.1
153.09088	1.1
157.10124	2.9
159.11728	8.5
161.09676	1.3
161.13269	4.0
163.11221	5.6
165.09123	4.5
167.10754	1.0
169.10159	1.7
171.10197	1.5
171.11713	2.5
173.11885	1.3
173.13286	3.0
175.11143	2.2
175.14792	1.0
177.12689	2.3
179.14334	1.8
181.12268	1.7
183.11751	1.6
187.11163	3.3
187.14867	1.3
189.11211	11.3
195.13791	1.1
221.15474	1.6
222.18456	1.7
223.13385	1.2
229.19476	4.1
239.17953	4.7
247.20558	6.8
257.19022	11.9
269.65985	1.0
272.73447	1.2
275.20087	100.0
293.08099	2.6
293.21167	17.8
306.73456	1.0
309.12091	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.80276	1.9
55.01877	8.8
55.05268	3.1
55.05514	43.1
57.03436	5.1
57.07075	2.9
57.96453	1.9
59.04985	2.1
59.35710	1.7
65.03954	2.2
67.05180	3.3
67.05511	39.0
69.03431	4.3
69.07072	24.2
70.87699	4.3
71.04997	2.7
76.57391	1.6
79.05496	53.6
81.03403	5.3
81.07062	35.8
83.04972	5.1
83.08632	21.7
91.05492	39.1
93.07057	34.7
95.04980	14.1
95.08619	34.3
97.06531	12.3
97.10180	24.7
105.07040	33.5
105.07704	3.3
107.04959	8.3
107.08599	91.5
109.06532	6.5
109.10161	19.4
111.08114	4.1
111.27989	2.0
114.35158	2.0
117.07034	8.8
119.08603	22.9
121.06558	2.5
121.10143	17.9
123.08075	3.1
123.11698	5.5
125.09618	21.0
129.07053	3.0
131.08556	14.2
133.10141	26.4
135.08087	4.8
135.11699	7.5
137.09613	11.0
138.84438	1.9
139.11220	5.3
145.10136	13.8
147.11711	15.1
149.09645	16.1
151.11176	2.5
153.09123	3.0
157.10118	2.9
159.11678	9.2
161.13272	4.6
163.11241	6.0
171.10156	4.0
171.11717	3.1
173.13309	4.6
177.12801	3.6
183.11679	3.6
189.11209	16.1
193.12251	2.7
195.13647	2.3
197.13208	2.2
203.12920	2.1
223.13310	2.8
225.15125	1.9
229.19547	3.8
239.17928	7.9
247.20537	2.9
257.19025	12.4
275.20068	100.0
276.20370	2.2
293.21051	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	4.8
55.01871	8.7
55.05511	27.6
57.03462	5.2
57.07074	3.5
59.44875	2.6
63.62351	2.4
67.05508	56.1
69.03445	3.6
69.07073	21.8
70.57898	7.7
71.05001	6.4
71.10049	2.3
79.05495	58.5
81.03434	5.4
81.07060	100.0
83.04988	7.0
83.08626	14.7
85.06566	4.4
91.05486	44.3
91.06038	4.5
93.07055	39.3
95.04971	21.8
95.08612	36.4
97.06538	9.0
97.10155	6.6
105.07037	43.6
105.07704	4.5
107.04955	9.4
107.08604	54.5
109.06544	27.0
109.10161	24.7
111.08092	6.9
113.06018	4.4
116.98539	2.3
117.07018	11.8
119.08583	54.2
121.06508	6.5
121.10136	18.3
123.08059	10.4
123.11731	10.5
125.09630	8.1
129.06987	3.5
131.08601	17.1
133.10149	33.1
135.08069	10.7
135.11708	7.4
137.09625	8.2
143.08571	2.8
145.10127	14.9
147.11682	16.1
149.09648	17.2
149.13281	2.5
151.11212	9.3
157.10132	4.4
159.11691	11.1
161.09618	4.4
161.13306	5.9
163.11194	11.6
165.12822	5.4
171.11723	4.8
173.13261	5.8
177.12682	3.7
179.14314	2.6
183.11674	4.4
185.13223	3.0
187.11189	2.7
189.11252	4.0
203.14319	2.7
219.13945	2.4
229.19412	3.8
235.07426	2.7
239.17949	6.4
247.20569	6.0
257.19110	17.7
275.20078	97.3
293.08203	4.1
293.11530	5.4
293.21167	48.4
293.28482	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03949	5.8
55.01871	10.8
55.05271	1.6
55.05517	22.0
57.03428	2.3
57.07078	1.6
59.76240	1.2
67.05511	37.4
69.03443	1.8
69.07076	16.4
69.77515	4.9
69.77927	1.8
71.05002	2.2
79.05502	36.2
79.05965	1.8
81.03419	4.5
81.07063	61.5
83.04969	4.5
83.08632	11.0
85.06576	1.4
91.05498	29.3
93.07053	29.3
95.04973	11.1
95.08612	27.0
95.29694	1.3
97.06553	11.1
97.10181	9.1
98.20813	1.5
99.08099	1.7
105.04511	1.4
105.07041	29.8
107.04958	8.3
107.08604	36.4
109.06550	13.1
109.10164	10.7
111.08096	1.8
117.07041	9.3
119.08594	25.3
121.06497	3.4
121.10145	14.9
123.08089	6.4
123.11739	3.7
125.09618	6.0
129.07013	3.0
131.08597	11.8
133.10150	22.0
135.08044	6.5
135.11697	5.8
137.09641	6.5
141.07048	1.5
143.08562	3.7
145.06502	1.6
145.10147	13.6
147.08032	1.9
147.11696	16.1
149.09631	13.7
149.13292	5.2
149.34425	1.3
151.11200	5.1
153.09123	1.4
155.08589	2.6
157.10146	4.3
159.11699	10.6
161.09647	2.8
161.13239	5.8
163.11203	9.5
163.14734	1.4
165.09099	1.6
165.12730	2.8
169.10205	1.4
171.11656	2.0
173.09631	2.0
173.13336	6.8
175.11212	2.1
177.12762	2.6
179.10713	1.6
179.14339	1.2
183.11728	1.8
187.11229	2.9
187.14780	2.1
189.11264	3.4
191.14255	2.5
193.12280	1.8
196.04570	1.3
197.13318	2.3
201.12764	2.3
211.14859	1.4
215.17935	1.8
223.13377	1.4
229.19579	4.3
237.22911	1.2
239.18030	7.8
247.20613	7.2
257.19012	13.8
275.20090	100.0
285.62030	1.3
293.21158	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03945	4.5
55.01886	12.6
55.05515	21.6
57.03431	10.0
67.05508	31.0
69.03420	2.4
69.07073	29.2
70.42775	3.8
71.04987	3.6
79.05499	46.8
81.03411	6.5
81.07060	35.6
83.04988	3.8
83.08632	13.2
85.06560	5.9
89.24310	1.8
91.05479	33.0
93.06484	2.9
93.07050	41.1
95.04978	14.5
95.08620	23.2
97.06538	18.5
97.10186	12.1
98.20735	1.8
99.08128	1.9
105.07041	37.5
107.04953	10.2
107.08602	70.4
109.06528	11.7
109.10173	12.5
117.07013	9.8
119.08601	25.0
121.06524	4.2
121.10142	12.2
123.04383	1.7
123.08103	5.2
123.11745	2.6
125.09657	10.2
129.07019	3.7
129.66124	1.9
131.08578	14.2
133.10152	24.7
135.08064	7.6
135.11691	6.1
137.09680	3.5
138.24432	1.4
143.08594	5.1
144.97931	1.7
145.10127	15.5
147.11703	15.5
149.09654	11.8
149.13242	3.7
151.11157	2.5
153.09160	1.9
157.10228	3.5
159.11691	12.9
161.13300	8.3
163.03949	2.3
163.11205	7.0
165.09044	1.9
169.10149	1.8
171.11748	3.0
173.13283	9.5
175.11142	3.6
175.14764	2.7
177.05487	18.7
177.12767	6.0
178.06264	16.2
181.12189	2.8
183.11804	2.1
185.13235	7.8
187.11125	3.4
189.11209	8.5
191.07045	3.5
197.27673	1.6
199.13245	1.7
201.16405	4.1
203.14374	8.9
205.12204	2.9
207.23141	1.8
219.17462	19.3
221.15352	10.6
229.19550	2.9
233.11688	18.9
235.07608	2.1
237.14903	6.9
239.18040	8.5
247.20532	3.2
247.44745	1.8
257.18942	14.2
261.09222	2.0
262.09921	3.0
275.20087	100.0
278.09387	2.2
293.08267	3.8
293.11630	12.2
293.21082	27.9
293.28333	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	293.2114
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03912	2.4
55.01875	9.1
55.05516	20.5
55.05759	1.2
56.68228	0.7
57.03390	2.5
57.07045	2.5
65.03897	2.5
67.05513	38.3
67.05843	2.0
67.72792	0.7
69.03384	2.5
69.07072	24.5
69.07419	1.0
71.04990	3.7
71.38506	1.2
76.66576	0.7
77.03903	0.7
79.05500	35.5
81.03419	5.4
81.07064	70.2
83.04992	5.4
83.08634	14.1
84.90810	0.8
85.06487	3.3
91.05489	25.4
93.07054	28.4
95.04984	10.5
95.05582	1.2
95.08620	35.3
97.06541	12.2
97.10179	8.2
99.08059	3.0
103.05412	2.0
103.40060	0.8
105.07042	29.9
107.04971	7.2
107.08604	33.9
109.06529	17.5
109.10173	19.5
111.04457	0.8
111.08105	4.3
111.11683	2.1
113.05975	1.4
117.07042	9.3
119.08593	21.5
121.06543	3.8
121.09335	1.1
121.10152	15.7
123.08099	7.6
123.11716	9.1
125.09637	6.6
125.13238	1.2
127.07513	0.9
129.06958	2.9
131.04901	0.8
131.08580	14.1
133.06487	1.3
133.10141	22.8
135.08070	5.1
135.11716	7.0
137.09625	5.1
137.13261	3.7
139.11125	1.3
141.06927	1.1
143.08505	2.3
145.06432	2.1
145.09062	1.0
145.10129	12.0
147.07986	1.5
147.10678	1.2
147.11708	15.7
149.09633	12.6
149.13303	5.6
151.11221	5.6
151.14726	1.3
153.12813	0.9
155.08540	2.1
157.10085	3.4
159.11734	9.2
161.09668	2.3
161.13309	4.4
163.11209	9.4
163.14816	1.6
165.09186	3.6
165.12814	4.0
167.10669	0.7
167.14333	0.8
169.10109	3.3
171.11681	3.3
173.09587	1.1
173.13203	5.2
175.11176	2.9
175.14822	1.1
177.12752	3.2
177.16315	0.9
179.10686	0.7
179.14288	1.4
183.11626	2.2
185.13249	1.3
187.11197	1.8
187.14824	1.4
189.11211	3.8
189.12718	1.8
191.14305	1.7
193.12364	1.7
195.13811	1.2
197.13248	2.0
199.14844	1.2
201.12781	1.5
211.14853	0.8
213.16351	1.4
215.17870	1.4
219.13731	1.1
223.13234	1.1
229.15787	1.0
229.19508	4.5
233.19110	1.5
235.07420	0.9
239.17958	5.8
247.20586	5.8
247.77092	0.9
257.19049	10.8
265.21582	2.2
275.20087	100.0
276.20386	1.3
278.05682	1.7
293.08115	4.3
293.11688	2.2
293.21143	33.7
293.28210	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	293.2113
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.02376	1.5
53.03949	7.1
55.01880	17.7
55.05518	61.1
57.03448	3.9
57.07075	3.5
59.04994	1.9
65.03943	2.5
67.05515	51.4
69.03445	4.2
69.07073	21.6
69.35423	12.1
71.05000	4.9
79.05502	91.1
80.44444	1.6
81.03429	10.0
81.07068	40.3
83.04993	23.8
83.08623	21.1
85.06557	2.7
91.04907	2.0
91.05486	41.2
93.07051	49.5
95.04990	10.7
95.08615	19.1
97.06540	5.6
97.10179	24.8
101.70203	1.2
105.04540	2.4
105.06319	1.8
105.07041	40.0
107.04971	44.0
107.08603	73.6
109.06530	4.3
109.10158	18.9
111.08100	4.9
117.07020	13.1
119.08586	25.0
121.06521	4.2
121.10152	23.5
123.08067	4.0
123.11727	6.9
125.09641	35.0
129.07065	2.2
131.08577	17.3
133.10150	26.3
135.08080	11.6
135.11722	6.4
137.09630	3.6
143.08591	1.6
145.06487	1.5
145.10129	12.3
147.11705	20.2
149.09636	84.8
149.13277	2.9
151.11189	4.1
153.09116	6.3
155.10658	2.3
157.10136	2.5
159.11713	13.1
161.13293	6.5
163.11205	5.0
163.14893	4.4
167.10727	2.5
168.82620	1.6
169.10210	2.1
169.12244	5.2
171.10193	6.4
171.11610	2.4
173.11765	4.7
173.13292	5.4
177.12770	3.6
179.10728	1.6
181.12300	2.1
183.11632	2.1
187.11183	3.3
187.13368	3.3
187.14886	2.2
189.11243	18.6
191.14337	3.6
197.13412	1.9
209.11801	2.8
209.15352	4.0
215.14331	1.7
229.19484	9.2
230.42853	1.5
233.15384	3.7
237.11185	2.1
239.17987	5.8
247.20653	5.0
257.19016	23.3
261.81378	1.8
275.20084	100.0
293.21072	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03945	3.8
55.01874	7.6
55.05521	22.2
55.19243	1.7
57.03435	4.7
57.07071	2.0
65.03939	2.8
67.05511	45.8
69.03434	3.7
69.07079	23.6
69.57677	9.1
71.04993	6.5
78.02094	1.6
79.05069	3.1
79.05502	42.6
81.03421	5.1
81.07066	100.0
83.04981	6.2
83.08636	14.5
85.06549	4.3
91.05489	30.7
93.07053	33.1
95.04963	17.6
95.08618	32.8
97.06548	12.7
97.10165	5.4
99.08123	1.9
105.07047	40.3
107.04967	9.5
107.08608	26.4
109.05808	2.0
109.06531	28.2
109.10158	17.2
111.08076	7.3
117.07029	11.3
119.08594	33.7
121.06519	6.0
121.10168	14.5
123.08089	15.6
123.11715	11.0
125.09634	4.7
125.35090	1.5
129.07027	3.0
131.08578	16.4
133.06470	1.6
133.10132	26.0
135.08081	7.9
135.11736	7.4
137.09595	9.8
139.11203	2.2
143.08603	4.2
145.06476	1.8
145.10138	15.4
147.11700	20.2
149.09627	14.6
149.13280	5.1
151.11200	6.1
153.12753	1.5
155.08536	1.9
157.10196	3.4
159.11673	9.5
161.09724	2.4
161.13249	5.1
163.11185	9.2
163.14807	2.3
165.12726	3.9
169.10233	2.9
171.11682	3.4
173.13322	7.4
175.11205	3.9
177.12741	1.7
179.14270	1.9
181.12181	1.7
183.11749	2.7
187.11180	3.1
187.14839	2.6
189.11220	2.1
191.14217	1.9
193.12233	3.9
197.13216	2.1
201.12753	3.1
205.15817	2.6
211.04845	1.7
213.16418	1.9
215.17825	2.4
218.07274	1.8
219.08217	3.9
219.17412	2.6
222.65977	1.6
223.13272	2.0
229.19539	3.2
233.09634	1.9
235.07625	2.0
235.17093	1.7
239.17972	5.6
247.20636	7.8
249.19037	2.1
257.18985	9.6
261.09052	3.2
262.09830	3.6
263.10510	1.8
275.20090	86.6
278.09290	3.8
293.08368	3.9
293.11664	17.3
293.21140	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	4.6
55.01630	2.0
55.01875	23.7
55.05515	26.2
57.03421	2.2
57.07064	4.5
65.03937	2.4
67.05505	29.2
69.03418	4.6
69.07067	17.5
70.95759	1.8
70.96088	2.7
71.04994	3.2
79.05070	2.8
79.05495	40.2
81.03412	5.9
81.07058	31.5
83.04974	5.7
83.08627	13.3
85.06534	3.0
91.05479	28.7
93.07044	23.7
95.04960	6.4
95.08610	22.4
97.06544	28.4
97.10178	15.6
105.07032	31.8
107.04935	8.4
107.08600	79.1
109.06502	6.0
109.10143	10.8
111.08112	2.5
117.07025	7.9
117.24238	1.7
119.08593	14.7
121.06518	3.4
121.10126	8.3
123.08096	5.2
123.11678	3.5
125.09643	13.6
125.69895	1.8
129.07016	1.8
131.08562	11.9
133.10127	22.4
135.08075	5.4
135.11688	4.4
137.05988	7.1
137.09612	2.7
143.08488	2.8
145.10127	13.2
147.08022	3.2
147.11691	12.5
149.09613	16.4
149.13286	3.2
151.11203	4.2
155.14320	5.0
157.10112	2.8
159.11722	8.3
161.13261	5.1
163.11180	4.3
165.09157	3.7
171.10307	1.7
171.11578	3.1
173.13278	4.1
175.11217	1.8
177.12759	3.0
179.14224	1.8
181.12271	1.7
183.11766	1.8
187.11237	2.4
189.11244	13.1
191.10623	3.0
193.44746	1.6
195.10110	2.3
197.13307	2.0
209.11794	3.1
221.08084	8.2
223.13417	1.7
229.19447	3.2
237.11201	6.5
239.18002	5.8
247.20563	5.5
257.19025	12.5
275.20084	100.0
293.13989	2.5
293.18195	2.6
293.21085	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.43602	0.1
51.78066	0.1
53.03939	0.6
55.01872	1.1
55.05276	0.1
55.05516	2.4
57.03418	0.2
57.07077	3.1
59.04982	0.1
64.11359	0.1
65.03938	0.4
67.05510	3.6
68.99780	0.2
69.03410	0.5
69.07064	1.5
69.93410	0.5
71.01340	0.2
71.04974	0.5
71.08634	2.2
74.09718	0.7
76.13342	0.1
79.05495	6.5
81.03419	1.3
81.07061	4.1
83.04990	0.7
83.08620	1.1
85.02922	0.2
85.06517	0.3
91.05479	2.9
93.06487	0.2
93.07044	3.1
95.04971	4.1
95.08612	1.9
97.06522	0.8
97.10179	0.7
98.06037	0.2
99.08109	1.3
102.02781	0.1
105.04530	0.2
105.07041	2.3
107.04957	2.9
107.08600	5.3
108.05087	0.2
108.05755	1.8
109.02876	0.3
109.06523	1.9
109.10148	0.7
111.04446	1.6
111.08070	0.3
117.07008	0.7
119.08580	1.3
121.06512	5.5
121.10133	1.0
122.07294	0.3
123.08051	0.4
123.11719	0.1
125.06001	0.6
125.09608	0.6
126.09135	0.2
129.07010	0.2
131.08556	1.1
133.06487	0.1
133.10126	1.9
135.04414	0.2
135.08058	1.0
135.11687	0.3
137.09607	0.2
139.03891	0.2
139.11111	0.2
141.11490	0.2
142.12234	0.2
143.08562	0.1
145.10123	0.6
147.11691	1.2
149.09592	0.9
149.13281	1.7
150.07262	0.1
151.11176	1.7
153.05484	1.0
154.12273	0.6
159.11681	0.5
163.03934	0.3
163.11212	0.6
164.11983	0.5
165.12752	3.5
173.13136	0.1
175.11206	1.0
177.08992	0.2
177.12694	1.0
179.10847	0.1
181.04976	1.9
181.12206	0.3
187.11058	0.2
189.06967	0.2
189.11218	0.3
191.10652	1.2
191.14317	0.3
195.10127	0.6
195.13913	0.2
209.11719	2.7
219.10152	0.4
223.13278	0.6
235.07478	0.2
236.14058	0.2
237.11221	7.0
237.14717	0.8
247.07417	0.2
247.20526	0.3
248.20100	3.3
257.19162	0.2
265.17996	0.2
275.20078	2.4
278.09369	0.2
293.21109	100.0
294.21490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.05518	20.9
57.03433	18.7
57.07068	7.1
58.06598	18.1
67.05507	39.7
69.07066	21.8
70.06614	4.3
71.04993	9.9
71.52975	4.6
79.05491	46.5
81.03428	5.4
81.07063	63.7
83.05000	6.1
83.08620	17.5
85.02915	5.6
85.06556	11.4
91.05492	45.1
92.51106	4.2
93.07053	61.8
95.04966	8.5
95.08608	37.2
97.06530	10.3
105.07040	42.9
107.04995	9.1
107.08598	40.8
109.02850	5.8
109.06528	9.6
109.10161	19.3
117.07023	18.4
119.08582	40.2
120.04504	25.2
121.06526	4.2
121.10176	26.3
123.08124	8.7
123.11699	8.5
125.09621	8.0
129.06982	4.9
131.04913	5.9
131.08582	27.4
133.10133	25.1
135.08095	4.9
135.11659	8.3
137.09665	5.0
143.08554	6.1
144.08092	19.1
145.10150	20.8
147.11699	19.7
149.09631	16.6
149.13383	6.6
157.10123	9.8
159.11728	20.7
161.09581	4.6
161.13248	8.8
169.10219	5.0
173.13257	16.2
175.14972	6.8
183.11798	4.7
185.13229	26.7
191.14420	5.5
203.14328	17.6
219.17459	38.3
221.15396	23.1
239.17712	4.2
257.18976	21.5
275.20087	100.0
293.08231	11.7
293.21078	24.2
293.28003	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03940	4.4
55.01876	28.9
55.05516	16.7
57.02576	1.0
57.03423	3.4
57.07063	1.6
57.41080	0.9
65.03960	1.0
67.05511	31.1
69.03416	2.6
69.07074	27.3
69.64391	1.9
69.64796	4.7
71.04990	1.7
79.05500	35.3
81.03423	12.5
81.06593	2.0
81.07065	35.6
83.04993	6.9
83.08625	9.6
85.06537	2.6
91.05486	26.1
93.06481	1.8
93.07052	28.4
95.04984	10.2
95.08067	1.5
95.08617	21.8
97.06538	37.2
97.10182	10.5
98.21554	1.0
99.08076	1.1
102.66100	1.0
103.05445	1.4
105.07039	28.3
106.56121	1.0
107.04965	10.4
107.08603	54.3
109.06527	6.8
109.10172	10.4
110.06936	1.1
111.08057	2.3
117.07034	9.6
119.06069	1.5
119.07798	1.6
119.08592	16.7
121.06538	4.8
121.10146	12.3
123.04431	2.0
123.08071	6.9
123.11702	2.3
125.09644	10.4
129.07024	2.8
131.04900	1.0
131.08572	9.4
133.06497	2.4
133.10144	19.1
135.08072	5.0
135.11682	9.3
136.08398	1.0
137.09616	3.0
143.08572	2.1
144.52849	0.9
145.06488	2.9
145.10123	10.9
147.08029	1.2
147.11694	11.4
149.09628	19.1
149.13274	2.5
151.11191	9.1
157.10146	2.8
159.11710	10.4
161.09579	1.4
161.13281	5.2
163.11206	7.3
165.09116	8.2
169.10123	3.3
171.11647	2.7
173.13261	3.8
175.11299	1.7
175.14853	1.2
177.12730	3.8
179.14328	3.5
181.12323	1.4
185.13269	1.5
187.11235	5.9
187.14763	1.3
189.11230	8.3
195.13840	1.6
197.13304	2.0
201.12683	1.1
205.12260	2.0
208.34445	1.0
215.14348	1.8
229.19513	3.1
233.19182	1.2
239.17909	3.9
247.20645	5.9
257.19000	14.1
261.09082	1.5
261.11661	1.0
265.22839	1.5
275.20090	100.0
293.08487	1.6
293.11670	6.1
293.21164	30.1
293.27896	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03945	4.3
54.61377	3.0
55.01871	6.8
55.05523	14.8
55.24097	3.5
57.03439	18.5
57.07076	17.8
58.06587	6.3
67.05505	38.1
69.07083	15.0
72.08162	5.4
75.00967	3.0
79.05493	32.8
81.03416	7.6
81.07061	43.8
83.04990	8.4
83.08150	2.8
83.08621	11.2
85.06551	8.6
90.90391	2.6
91.05494	37.7
93.07050	31.4
95.04971	12.3
95.08617	34.5
97.06558	6.3
97.10176	3.9
98.21638	6.1
99.04439	4.8
105.07029	24.1
107.04984	7.0
107.08599	25.1
109.06527	17.7
109.10167	14.5
111.04470	15.5
111.08090	3.7
115.05477	4.3
117.07021	13.7
119.08575	18.4
121.06522	4.8
121.10130	12.8
123.11684	3.9
124.62180	2.8
124.92174	3.3
125.09585	3.3
131.08595	17.2
133.10138	18.5
135.11732	8.8
137.09637	10.9
145.10133	9.3
147.11702	5.4
149.09612	5.8
149.13197	3.3
153.05479	6.6
159.11691	7.9
161.13251	4.0
163.11157	6.5
163.14720	3.4
173.13420	3.0
181.04938	9.8
185.13283	3.7
191.10638	6.1
195.10165	4.2
201.16356	4.7
203.14429	5.9
209.11629	15.0
219.10205	3.9
219.17462	100.0
221.15294	3.6
233.11658	3.8
237.11240	34.8
248.20117	6.4
257.19037	6.8
275.19907	32.4
293.21024	35.9
314.05212	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.05511	1.0
56.05027	1.3
56.96574	3.2
57.03439	1.3
58.06607	20.0
60.08661	0.6
61.02921	1.0
69.03443	2.9
70.06606	4.3
70.13918	2.2
70.14253	0.5
72.08167	3.9
73.02913	1.7
73.07763	0.4
74.06082	0.6
75.47939	0.5
77.57523	0.5
81.03417	0.9
83.04961	0.5
84.04521	4.5
84.08154	25.8
84.96011	0.6
85.02912	5.6
86.09694	2.0
91.05481	1.5
97.02885	2.5
97.06466	0.7
98.97595	6.9
99.04429	0.7
101.00882	1.3
105.03416	1.2
107.04968	1.1
109.02837	0.9
110.07169	2.1
110.97585	1.6
112.38609	0.5
115.05444	0.7
116.07130	0.9
116.98630	2.6
119.01900	2.1
119.04946	1.7
120.08163	0.8
123.04462	1.6
127.03920	2.1
128.98596	1.8
129.07013	1.3
129.10252	0.9
130.06531	0.8
130.08640	2.4
131.01894	0.7
131.08940	1.2
134.99701	0.9
135.04425	0.8
136.07603	4.3
137.05980	0.8
139.03975	0.6
141.06938	0.6
143.00162	2.3
143.01894	2.0
144.08102	0.7
145.04958	1.2
145.06509	1.1
146.06004	1.1
146.09540	0.7
147.04411	2.7
148.04674	1.3
154.06570	0.6
155.01898	0.6
156.08119	3.4
157.03560	0.7
158.06026	1.3
158.09656	6.8
158.99677	1.8
159.08087	1.2
160.07539	3.5
161.01239	1.6
161.02977	2.3
161.07085	2.5
161.08295	1.3
163.03929	4.1
165.05525	1.3
167.07274	1.1
168.08142	3.5
169.06454	0.9
170.06001	2.9
170.09666	1.0
170.99748	0.7
171.06821	3.7
172.07603	5.6
173.01186	0.6
173.03015	0.6
173.08278	0.7
174.09222	1.4
175.11940	0.5
177.00801	1.1
178.04939	0.6
181.22969	0.6
182.08194	2.4
183.06787	1.1
184.07640	6.8
185.01335	0.6
186.09158	26.7
187.07593	0.7
189.00734	0.6
196.07526	2.6
200.07047	3.1
201.00809	0.7
202.08633	1.1
203.07683	0.9
204.10239	1.8
205.10582	1.1
212.07167	1.5
214.08635	5.7
217.07314	0.7
218.08084	0.8
219.01816	1.3
221.05098	1.1
230.08200	1.4
232.09709	100.0
233.10136	0.9
237.02786	1.6
245.12904	1.3
247.10823	2.2
248.09254	1.6
251.04414	1.8
269.05466	1.3
270.00345	0.7
275.05838	0.8
275.10706	0.9
275.13965	17.0
276.17630	0.6
293.05423	2.2
293.08228	1.5
293.11252	5.1
293.14935	14.9
293.20349	1.0
311.06525	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54095	2.0
56.96571	2.5
71.47112	3.7
84.08163	12.5
85.08458	6.6
86.87444	2.0
91.90823	2.1
98.97591	8.1
110.97574	5.4
128.98631	2.7
130.08650	8.0
131.09029	3.2
140.98627	2.1
143.01910	5.8
161.02995	5.6
203.03983	2.3
215.38928	2.5
227.47160	2.4
233.88217	2.3
235.42804	2.5
237.03061	2.3
251.04430	6.3
251.60620	2.4
293.06357	100.0
293.14108	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	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67667	4.0
55.43973	3.7
58.06610	4.3
69.69707	24.6
69.71252	4.2
70.06590	13.7
84.08141	35.9
85.08474	21.8
94.93013	5.0
98.20796	4.0
118.07895	6.7
118.08665	79.0
119.08331	4.0
119.09018	38.7
130.08646	9.5
131.09015	5.9
161.99509	6.2
175.11861	22.8
176.12285	21.3
186.89583	3.9
191.98247	15.3
209.42719	4.1
232.09570	4.6
268.62576	3.9
274.75998	4.8
275.13245	4.6
293.06323	100.0
293.14230	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1233
Annotation	Itoside L
Peak:m/z	Relative Intensity
53.03951	2.0
55.01864	1.8
57.03444	5.4
57.07084	10.3
59.04990	1.1
61.02935	6.7
62.45557	0.6
67.05180	1.1
67.05513	14.0
69.03435	14.4
69.07069	2.0
69.85158	1.6
69.85553	1.3
70.06586	2.5
71.01327	0.9
71.05000	5.8
72.08139	3.2
73.02920	2.6
81.03429	4.9
81.07053	1.2
83.06113	1.1
84.04491	1.7
84.08140	4.2
85.02914	76.4
85.06555	6.9
86.09697	0.8
87.04472	2.4
91.03974	4.9
95.04977	22.7
95.08602	0.7
97.02901	14.8
98.97593	1.2
99.04475	3.1
103.03966	0.9
109.02888	6.7
110.07130	0.6
113.06020	39.2
116.03465	0.7
119.04945	0.7
120.08115	1.5
127.03933	13.7
129.01898	1.1
131.07054	100.0
133.01321	1.2
141.04466	0.7
145.04974	18.4
146.81206	0.6
147.04445	4.1
148.04767	2.2
163.06070	2.4
175.02417	3.1
204.10213	0.6
205.10495	0.9
208.13957	0.6
275.19940	0.7
293.06671	0.9
293.11356	1.1
293.14667	1.0
293.20990	1.1
311.06720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.8
55.01883	5.8
55.05518	8.1
55.41351	1.0
56.89802	0.9
57.03434	2.0
57.07067	1.8
62.35928	0.9
65.03928	2.3
65.81039	0.9
66.04715	4.6
67.05511	42.0
69.07082	8.1
70.91257	2.1
70.91608	1.1
71.07351	3.6
72.08166	30.7
75.05449	1.0
79.05141	1.2
79.05516	12.8
81.03432	10.1
81.06590	1.2
81.07061	14.4
91.05495	25.9
93.07065	11.1
94.04176	2.0
95.04964	12.3
95.08618	10.5
97.06558	1.3
103.05461	1.7
105.07040	10.9
107.04972	7.3
107.08619	7.1
109.06509	2.7
109.10166	4.3
117.07023	4.7
119.08597	19.5
121.06500	4.8
121.10160	1.8
123.08089	2.7
128.06255	2.5
129.07008	4.1
131.08575	18.5
133.06506	4.1
133.10132	7.5
135.08081	8.7
142.07785	1.5
143.08601	6.6
145.10094	2.6
147.08041	4.4
147.11694	3.8
157.10167	4.8
159.11729	1.8
161.09647	1.7
165.11557	6.3
175.14832	4.2
185.13248	4.4
186.57700	1.1
203.14334	4.3
220.34602	1.1
271.49463	1.2
274.21680	100.0
292.22787	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	292.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82261	1.1
53.03944	6.2
55.01864	3.0
55.05271	1.9
55.05515	24.0
57.07061	3.1
58.06591	2.4
65.03928	3.2
67.05508	36.1
69.03422	1.7
69.07084	7.2
69.76960	6.8
70.06583	4.2
72.08161	60.4
79.05499	100.0
81.03405	4.7
81.06593	2.3
81.07060	44.7
83.04981	2.8
83.08620	3.8
83.27247	1.2
86.06056	2.8
86.09702	3.5
90.09184	4.5
91.05487	77.4
93.07049	77.6
95.04976	11.0
95.08611	44.7
95.73497	1.3
98.06052	3.6
98.21356	1.7
103.05475	2.0
103.75356	1.3
104.10773	3.2
105.04524	2.6
105.07041	49.5
107.04967	6.8
107.08604	63.5
109.06535	3.2
109.10156	7.6
115.07641	1.6
117.07008	8.5
117.38853	1.4
118.08661	4.9
119.08587	43.3
121.06509	4.3
121.10155	17.8
126.09138	2.3
128.06219	1.3
129.07013	4.1
131.08580	10.8
133.06493	3.8
133.09160	1.6
133.10144	27.9
135.08011	3.0
135.11685	5.7
137.09653	2.1
139.09943	2.5
142.07799	1.5
143.08571	5.4
145.10133	7.1
147.04471	2.0
147.08057	4.2
147.10538	1.3
147.11690	26.2
149.13251	2.6
153.11484	1.4
157.10136	2.9
159.11699	3.0
161.13274	23.5
163.23645	1.2
173.13280	1.7
175.11212	7.9
175.14828	37.5
177.16415	11.0
185.13261	5.9
203.14348	13.3
204.13824	4.2
246.18567	11.0
260.16479	16.5
274.21655	80.9
292.19669	2.0
292.22717	23.7
308.21326	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.2272
Annotation	senecionan
Peak:m/z	Relative Intensity
50.70458	0.4
53.03939	2.2
53.25175	0.5
55.01669	0.4
55.01880	4.7
55.05519	6.1
56.05033	1.1
56.57310	0.4
57.03436	2.3
57.07063	1.7
65.03925	1.0
66.04727	2.8
67.05511	36.8
69.03438	0.6
69.06726	0.7
69.07073	9.6
70.06577	0.6
70.76380	1.0
70.76739	0.7
71.04997	0.7
71.07371	4.0
72.08164	27.0
79.05499	12.2
81.03433	6.5
81.07065	16.2
83.04987	1.1
85.06543	1.3
91.05492	22.6
93.07050	10.0
94.04189	2.4
95.04380	0.7
95.04982	13.4
95.08612	9.5
97.06567	0.5
103.05495	0.7
105.07043	11.9
107.04973	5.7
107.08599	6.2
109.06497	1.2
109.10171	3.5
115.05427	1.1
116.06243	0.7
117.07027	4.4
119.08588	17.8
121.06506	6.6
121.10135	1.9
123.08066	2.1
128.06261	2.3
129.07027	5.7
131.08586	21.8
133.06514	3.6
133.10143	7.4
135.08069	8.8
135.11681	0.6
142.07790	1.3
143.08583	7.2
145.10130	1.9
147.08066	5.1
147.11720	3.6
149.09625	1.1
155.08533	0.7
156.09346	0.6
157.10167	3.7
159.11722	2.4
160.49287	0.5
161.09596	1.9
161.13208	0.9
165.11499	5.7
170.10913	0.5
173.13350	0.7
175.14862	4.2
185.13260	5.4
203.14342	5.1
227.02040	0.5
260.41125	0.5
273.91718	0.4
274.21677	100.0
292.22763	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	292.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.01870	0.9
55.05504	3.6
58.06588	0.9
58.64259	0.9
67.05178	1.2
67.05510	19.4
69.03419	2.5
69.07057	2.9
70.57160	2.6
72.08154	1.4
78.19322	0.8
79.05500	100.0
81.03423	1.5
81.07068	20.9
83.05008	1.4
86.06078	8.2
90.27281	0.7
91.05488	48.5
93.07050	10.3
95.04388	0.8
95.04975	12.7
97.06530	2.8
105.04547	2.0
105.07040	49.4
107.04974	6.5
107.08604	57.7
109.06500	2.5
117.07001	3.0
118.08673	10.4
119.05033	0.9
119.06062	2.6
119.08587	18.2
120.05725	1.4
121.06562	1.1
129.06989	3.5
131.08562	7.6
132.61322	0.8
133.06497	3.2
133.10138	11.0
142.07787	2.8
145.10132	3.4
147.08083	4.2
147.11697	57.7
154.14513	0.9
157.10158	3.8
159.11745	0.8
175.11189	13.5
195.98497	0.8
204.13826	5.0
235.28441	0.9
246.18501	1.4
260.13721	1.3
260.16483	26.5
292.18997	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	292.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
55.05513	16.3
57.20015	1.0
65.03928	1.5
67.05503	9.6
69.07059	3.0
70.06589	3.0
70.16186	4.4
70.16567	1.8
70.61859	1.1
72.08160	100.0
74.09718	1.2
79.05498	38.3
81.07069	14.7
84.80016	1.0
86.06042	2.5
90.09193	3.4
91.05492	36.4
93.07046	16.2
95.04964	3.5
95.08614	7.4
98.06060	2.6
98.20836	1.3
105.07038	29.4
107.04952	2.7
107.08599	22.1
108.38162	1.0
109.06509	1.2
112.31726	1.1
115.05397	1.5
115.69671	1.1
117.07043	7.2
118.08689	2.8
119.08584	43.2
121.10126	3.7
126.09169	8.0
128.06239	1.2
129.07005	6.7
131.08578	7.5
133.06485	2.2
133.10152	14.0
135.11693	1.3
138.10869	1.4
140.10681	4.4
143.08620	8.6
145.10114	3.1
147.08046	4.1
147.11697	14.2
149.13318	1.8
157.10115	3.6
159.11681	9.4
161.09648	1.5
161.13268	44.7
173.55620	1.1
175.11185	6.4
175.14836	10.3
185.13248	20.2
194.15353	1.9
203.14345	30.6
260.16489	6.6
274.21683	68.8
292.19711	1.9
292.22662	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	292.1542
Annotation	syn-3-Isopropyl-6-(4-methoxybenzyl)-4-methylmorpholine-2,5-dione
Peak:m/z	Relative Intensity
53.24644	0.7
55.13875	0.4
55.82600	0.4
57.03441	2.8
58.06588	1.4
67.05513	0.5
69.07065	0.5
69.34723	3.2
70.06589	0.8
71.01355	1.3
72.08153	1.3
79.05490	1.4
81.03413	0.7
84.08154	1.0
85.02910	39.1
86.10565	0.4
86.61325	0.4
91.05479	0.9
93.07049	1.6
94.06596	0.9
95.01336	0.5
97.02894	1.0
98.97593	0.6
103.03971	0.6
105.07021	0.9
105.55779	0.4
106.06572	6.2
107.07359	3.1
107.08578	0.6
109.10154	0.7
113.02430	2.0
116.98611	0.6
118.06564	4.8
119.07296	1.3
121.06399	0.4
122.06002	0.7
123.04385	0.6
131.03392	2.0
132.08099	5.4
133.08920	0.9
135.11679	1.4
138.05521	0.4
139.03911	1.1
140.04263	0.8
140.07085	0.8
146.09654	1.2
147.04439	1.4
148.04776	0.5
151.03911	2.6
153.12778	1.1
160.09583	0.8
160.11189	1.0
161.09547	0.5
162.12790	88.6
163.13144	0.6
177.05424	0.7
188.14381	1.2
202.12376	0.5
204.10193	0.6
246.09564	0.6
274.14478	1.4
274.17566	0.5
292.15442	100.0
292.23941	2.0
293.15842	0.9
303.05048	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
53.23135	1.0
55.05529	5.5
56.05057	1.4
58.06608	17.7
58.92415	1.0
62.44758	1.1
65.03937	2.0
67.05510	23.3
68.71105	1.0
69.07069	4.5
69.81844	5.8
79.05500	100.0
81.07064	27.5
83.05005	1.4
88.07651	1.6
89.01714	1.1
91.05489	54.8
93.07037	13.4
95.04981	18.4
97.06541	3.0
100.07630	22.6
105.04502	1.5
105.06316	1.7
105.07041	57.4
107.04957	9.8
107.08606	57.8
107.53624	1.2
109.06520	2.7
117.07021	3.2
118.08650	13.8
119.04945	1.5
119.06136	1.7
119.08582	24.8
119.09358	1.7
121.06512	1.9
128.06207	1.1
129.07010	4.2
131.08582	13.0
133.06503	3.6
133.10144	18.8
142.07837	2.0
145.10133	2.8
147.08055	7.8
147.11702	60.6
157.10164	5.5
175.11227	11.4
204.13899	4.4
218.86212	1.0
232.08595	1.6
274.18002	7.6
292.10617	5.2
292.15823	2.5
292.19070	30.8
292.27585	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	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
55.05503	19.8
57.07085	7.9
59.04998	4.7
63.58755	4.1
67.05514	37.2
69.07078	29.7
69.50213	9.5
69.50623	27.0
71.05006	44.2
74.17825	4.5
77.11736	5.4
79.05495	31.1
81.07063	100.0
83.08625	11.9
85.06554	15.7
91.05469	28.9
93.07053	92.7
95.04993	10.6
95.08607	54.9
97.06544	9.5
97.10206	5.4
99.08087	9.1
105.06510	5.5
105.07058	66.3
107.04933	7.4
107.08607	66.6
109.06519	5.8
109.10174	71.8
111.08109	7.4
111.11712	4.8
113.09587	5.1
115.05452	6.5
117.07006	13.9
119.08596	53.2
121.06512	4.7
121.10165	50.8
123.04437	23.5
123.11732	18.6
125.09556	5.4
127.01447	4.4
127.11192	16.1
129.07071	6.9
131.08582	15.6
133.06548	6.0
133.10158	49.0
135.11705	43.5
137.09583	5.3
139.03917	34.2
139.11150	5.6
143.08481	6.5
145.06543	4.9
145.10117	37.1
147.11707	83.3
149.13287	13.7
151.11224	9.7
153.12732	19.4
157.06511	11.9
157.10233	5.0
159.11728	16.0
161.13220	12.6
163.14815	9.5
165.05334	4.7
167.07033	19.0
171.08083	6.5
173.13260	9.6
175.14848	23.4
181.10152	7.2
185.09673	5.0
187.14851	27.8
189.16399	22.5
193.15952	9.0
199.14920	9.2
205.16029	8.8
207.17462	15.7
213.12793	10.0
215.17958	28.4
217.08623	5.7
231.10178	5.9
233.18979	19.4
241.12245	17.7
255.21126	8.4
273.14914	37.0
273.22366	25.0
291.13144	8.3
291.15945	39.6
291.18997	5.3
291.20029	6.4
291.23026	40.1
291.26047	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	291.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36538	2.4
53.03943	6.4
55.05505	11.1
57.07069	4.4
58.06577	3.0
67.05511	22.0
69.03416	7.0
69.07049	7.1
70.01290	12.3
71.07356	7.8
72.08158	32.4
79.05500	93.4
81.03414	8.4
81.07058	32.8
82.34740	2.7
83.04997	4.1
91.05482	46.6
93.07042	18.1
95.04969	14.4
95.08604	7.8
97.06531	3.5
105.07036	52.1
107.04974	8.5
107.08603	75.0
109.06504	6.3
109.10159	4.1
117.07005	4.4
119.06071	3.1
119.08611	17.7
121.10118	5.4
123.04433	14.9
128.21846	2.9
129.07045	4.8
131.08572	13.1
133.06500	7.0
133.10161	28.0
135.11707	2.9
139.03903	24.7
139.09956	14.4
147.04463	5.7
147.08037	6.4
147.11688	58.3
149.13297	14.2
157.10120	3.6
174.85081	3.5
175.11235	15.2
233.15192	6.4
246.18550	100.0
249.18492	21.3
273.18436	3.7
276.07751	4.5
291.09970	10.2
291.13120	7.1
291.19434	14.6
291.22623	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	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03949	0.9
55.01873	1.0
55.05516	5.4
57.07075	0.6
67.05508	6.3
69.03419	0.7
69.07072	45.4
69.27298	0.4
71.04979	1.1
79.05500	5.6
81.07063	5.8
83.04989	9.8
83.08617	2.4
85.06532	1.3
91.05479	4.2
93.07049	31.9
95.04955	0.5
95.08601	5.9
97.06537	19.8
97.10233	0.5
105.07049	2.5
107.04910	0.4
107.08601	32.1
109.06528	1.2
109.10164	19.7
111.08099	2.7
117.06989	0.5
119.08577	1.1
121.06519	1.0
121.10179	0.5
123.04478	0.9
123.11710	0.9
125.09582	1.4
133.06480	1.2
135.08144	0.6
135.10698	0.7
135.11700	13.0
139.03909	1.7
147.11665	0.4
151.07570	1.4
153.12753	100.0
164.08466	0.4
168.37697	0.4
169.43550	0.4
191.10638	0.5
255.17590	0.4
262.88000	0.4
273.18518	1.0
291.10056	1.2
291.19562	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	291.2321
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03950	4.4
53.39754	0.9
55.01868	0.9
55.05272	1.1
55.05516	16.2
57.03432	0.9
57.07073	2.3
59.04990	1.1
60.29486	0.8
63.27279	0.7
65.03946	1.7
67.05511	38.0
68.53006	0.7
69.03423	1.1
69.06686	0.8
69.07073	16.3
71.31360	1.1
72.25820	0.8
73.06561	1.0
77.03931	1.7
79.05499	76.3
81.03404	0.9
81.07066	44.1
83.04994	0.9
83.08628	8.6
85.06538	2.3
91.05495	25.8
93.07052	100.0
95.04963	3.9
95.08616	31.2
97.06528	2.7
97.10176	4.5
99.08097	1.6
100.92262	0.8
103.55045	0.9
105.04508	2.3
105.07041	18.0
105.07761	0.9
107.08604	53.3
107.47748	0.9
109.06522	1.7
109.10162	14.2
111.08066	2.1
115.07588	0.8
117.07025	2.3
119.08598	15.5
121.10154	47.9
123.04376	1.3
123.08070	1.8
123.11704	4.3
125.09628	1.1
129.06998	2.3
129.09100	1.0
131.08568	4.8
133.10139	14.5
135.08041	2.3
135.11703	48.7
137.09615	1.6
139.03929	1.6
139.11188	0.9
143.08574	3.0
145.10156	5.1
147.11703	10.5
149.09589	2.6
149.13278	31.1
151.07564	1.1
151.11165	1.6
157.10123	3.0
159.11661	5.0
161.09634	1.1
161.13275	9.4
163.11177	2.5
163.14833	9.9
165.12689	1.0
171.11694	4.2
173.13263	3.5
175.11304	1.0
175.14818	4.2
177.12737	2.2
177.16365	1.6
185.13263	2.5
189.12698	1.9
191.14493	1.0
195.13757	1.0
199.14856	2.8
203.14307	1.3
207.13744	1.4
209.15393	1.7
213.16386	1.9
217.19537	2.8
221.15332	2.4
231.08080	1.8
231.17439	2.2
231.21158	1.6
235.16949	1.9
241.19513	7.1
248.08353	1.8
249.18463	1.8
259.20621	7.8
291.10223	8.9
291.23181	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.74929	0.6
53.03938	1.3
55.01867	1.4
55.05510	5.3
57.03442	1.3
57.07072	1.3
59.04982	1.0
67.05511	4.6
67.82317	0.6
69.03414	1.9
69.07078	10.2
69.80096	3.6
71.04989	2.2
71.60786	0.6
79.05073	0.8
79.05501	10.2
81.03431	0.8
81.07072	8.9
83.04982	2.3
83.08621	2.4
85.06519	1.0
87.21711	0.6
91.05491	7.8
93.07055	23.6
93.65047	0.6
95.04964	2.7
95.08617	7.5
97.06549	3.2
97.10183	1.8
98.21410	1.1
98.97538	0.7
103.05492	1.1
105.07043	11.4
105.89820	0.6
107.04986	4.0
107.08601	11.9
109.06526	18.3
109.10164	3.2
111.04467	1.2
111.08084	1.6
111.11736	3.3
115.05469	0.7
116.98630	0.6
117.07014	2.3
119.04926	0.9
119.08613	5.2
121.06530	2.2
121.10156	34.5
123.04438	8.0
123.08089	3.4
123.11719	1.8
125.09652	3.4
128.06216	0.7
129.07011	1.5
131.08589	4.9
133.06503	1.9
133.10126	2.8
135.08070	8.9
137.09654	1.6
139.03929	11.9
139.11182	2.4
142.07771	0.7
143.05019	0.6
143.08562	1.2
145.10130	3.5
147.04407	2.3
147.08087	1.2
147.11691	2.5
149.09639	12.3
149.13295	1.5
151.07582	2.7
151.14693	0.6
156.09357	0.9
157.10165	3.0
159.08057	1.5
159.11707	1.1
161.05989	0.8
161.09593	1.8
163.11119	0.7
165.05498	2.1
165.06825	0.8
165.80003	0.6
167.10693	100.0
169.10120	1.2
171.11697	2.6
173.09558	0.9
173.13301	3.7
175.11232	2.4
185.13258	0.6
188.45078	0.6
189.12761	1.8
191.10632	2.9
191.14307	3.7
197.13321	1.3
199.11122	0.7
208.12502	0.7
213.16360	1.3
215.14360	2.4
217.12251	1.3
217.15874	1.8
231.07944	0.7
231.17691	0.7
233.15388	9.7
245.19037	0.9
248.08376	0.8
249.18677	0.7
255.17500	3.1
273.18542	10.1
291.10046	2.7
291.19571	17.1
291.26877	1.8
307.71942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03949	0.8
55.01884	1.3
55.05514	7.8
57.03442	1.4
57.07077	3.3
59.04998	2.5
65.03911	0.7
65.46781	0.6
67.05500	5.3
69.03426	2.1
69.07064	1.4
69.51345	2.1
69.51772	1.9
71.04995	2.6
79.05498	8.9
81.07058	8.0
83.04971	2.8
83.08622	7.7
85.02903	1.8
85.06541	2.2
91.05489	5.5
93.07049	11.1
95.04977	5.1
95.08614	16.5
96.38712	0.6
97.06543	5.1
98.20766	1.4
105.07035	7.7
105.85761	0.7
107.04246	0.6
107.04961	14.8
107.08592	8.7
108.05733	0.9
109.06532	8.3
109.10156	2.7
111.04469	0.9
111.08087	38.4
113.09630	1.5
117.07021	2.4
119.08585	8.7
119.54485	0.6
121.06496	2.4
121.10151	7.2
122.07278	1.7
123.04467	2.9
123.08073	31.7
123.11713	1.5
125.09636	2.4
129.07013	1.6
131.08572	6.7
133.06526	3.0
133.10143	8.6
135.08054	5.9
135.11725	3.1
137.09627	2.7
139.03928	5.2
139.07526	0.9
141.05444	1.3
142.07808	1.4
143.08551	2.0
145.10118	6.8
147.04337	0.7
147.08061	2.6
147.11707	5.3
149.09641	6.4
151.07550	100.0
155.10670	3.0
156.09364	1.4
157.10156	5.0
158.10890	0.8
159.08031	1.1
159.11690	1.7
161.09616	4.4
161.13290	0.9
163.11150	3.6
165.09099	1.3
167.10654	1.2
169.12297	1.0
171.11713	3.4
173.09639	1.0
173.13264	6.5
174.10394	1.9
175.11220	4.6
177.09172	1.6
179.10730	5.3
181.12241	2.1
187.14795	1.2
189.12753	25.5
190.13573	0.6
191.10660	1.1
191.14320	15.0
192.11404	3.9
197.11734	15.4
197.13318	2.2
199.11253	0.7
203.14217	0.8
205.12273	1.4
207.13808	62.6
211.13335	1.8
213.16397	1.9
215.14323	4.6
217.12238	3.7
217.15973	1.1
227.14307	0.7
231.17393	2.0
233.15372	46.2
235.13345	1.3
248.08452	0.9
249.18593	1.9
255.17482	2.5
273.18524	8.0
291.10461	3.3
291.19562	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1958
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
52.60245	0.7
53.03949	0.8
55.01877	3.8
55.05515	9.2
57.03437	3.1
57.07079	3.6
59.05004	3.6
65.03945	0.8
67.05183	0.8
67.05508	10.4
68.99780	0.9
69.03418	3.0
69.07077	4.1
70.10342	1.1
70.10712	1.3
71.04989	3.4
77.03930	0.6
79.05501	14.1
81.03412	0.8
81.07063	13.6
83.04983	3.7
83.08624	8.2
85.02889	2.0
85.06542	2.8
91.05489	10.2
93.07059	14.1
95.04974	9.4
95.08617	19.3
97.06542	6.2
97.10195	0.9
99.04448	1.3
105.04465	0.6
105.07046	12.1
107.04969	13.4
107.08604	14.0
108.05744	0.7
109.06530	24.3
109.10157	3.6
111.04462	2.3
111.08091	39.6
113.06032	1.1
113.09663	1.5
115.05469	1.1
116.06205	0.9
117.07007	4.5
119.04929	1.4
119.08591	10.4
121.06535	4.3
121.10152	8.5
122.07299	1.7
123.04443	16.2
123.08076	35.0
123.11720	1.5
125.09633	2.3
129.07034	3.1
130.07814	0.6
131.08594	9.6
133.06505	3.8
133.10146	9.7
135.08064	11.7
135.11713	3.5
137.09622	3.4
139.03909	24.5
139.07547	1.6
141.05466	1.0
142.07765	1.9
143.04936	0.8
143.08548	3.8
145.10133	6.6
147.04402	5.4
147.08040	4.5
147.11693	5.3
148.08836	0.7
149.09642	8.2
149.13202	1.2
151.07555	100.0
153.09166	0.9
155.10674	2.5
156.09386	1.7
157.10130	6.3
158.10899	1.5
159.08099	2.9
159.11687	3.0
161.06000	2.5
161.09639	6.2
161.13251	1.3
163.11177	5.0
165.05511	4.1
165.09114	1.4
165.12831	1.0
167.08527	0.9
167.10716	1.2
169.10123	0.8
171.11681	4.7
173.09621	1.2
173.13301	7.6
174.10515	1.2
175.11195	5.9
175.14836	0.8
177.09149	1.8
179.00575	0.6
179.07011	0.8
179.10693	4.2
181.10071	0.9
181.12238	2.0
185.13295	1.2
187.14755	0.9
189.05417	0.6
189.12764	25.2
191.10699	0.9
191.14311	11.7
192.11433	3.6
193.12277	1.2
195.11736	1.2
197.11742	15.1
197.13312	2.3
197.14752	0.6
199.11194	1.4
199.14874	1.1
201.12756	0.8
202.07857	0.8
203.08601	2.2
203.14279	1.1
205.12317	1.3
207.06525	1.9
207.13820	65.7
211.13232	1.3
213.16370	1.5
215.14304	4.1
217.12338	3.2
217.15865	4.3
219.08131	0.6
220.08945	0.6
231.08081	2.2
231.17426	1.9
233.15385	40.7
235.13310	1.9
237.16447	1.0
248.08482	3.0
249.18567	1.9
255.17456	5.1
259.07507	0.8
260.08334	0.7
263.10687	1.4
273.18491	13.3
273.21310	1.1
276.07864	1.6
291.10422	9.4
291.19565	82.9
291.26666	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03935	4.9
55.01873	13.6
55.05273	2.6
55.05517	40.8
57.03429	4.4
57.07064	2.0
61.70655	1.5
67.05505	31.6
69.03439	9.0
69.07073	12.3
70.77395	4.0
70.77734	2.4
71.05005	2.6
79.05500	56.1
81.03426	3.1
81.07061	50.6
83.04993	12.6
83.08625	17.2
85.06566	2.7
87.16274	1.9
91.05489	55.5
93.07041	23.8
95.04987	11.6
95.08598	19.0
96.13443	1.7
97.06522	3.7
97.10173	22.7
102.42165	1.8
105.03363	7.1
105.04539	2.1
105.07033	25.8
107.04973	19.2
107.08601	24.9
109.06511	7.1
109.10178	10.2
111.08070	6.5
115.05436	3.0
116.06210	1.7
117.07025	26.7
119.04924	3.6
119.08594	62.7
121.06509	11.2
121.10155	8.4
123.04446	3.9
123.08061	7.0
125.09636	21.4
128.06238	3.6
129.07030	9.9
130.07787	2.2
131.08582	29.6
132.05695	2.3
133.06490	5.7
133.10129	8.6
135.08069	32.6
135.11707	2.0
139.03923	9.2
143.08559	14.7
145.10138	27.3
147.04413	2.9
147.08055	47.1
147.11702	4.8
149.09633	5.4
151.07507	12.2
153.09065	3.5
157.10129	6.8
159.08052	3.1
159.11725	11.2
161.09608	10.0
163.11209	4.2
169.10146	3.8
171.10240	3.1
171.11678	7.1
173.13293	2.4
175.11208	4.4
179.10698	1.9
185.13316	3.8
189.11234	13.9
189.12761	5.9
193.12244	3.1
199.11218	3.6
207.13857	6.3
213.12718	2.7
223.13326	3.1
227.17926	5.6
231.13855	2.7
233.15378	2.8
237.16325	4.2
245.19002	3.6
248.08307	4.6
249.14890	7.2
255.17532	11.1
263.10593	3.1
273.18524	100.0
291.10245	11.8
291.19553	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03929	2.8
55.01867	3.1
55.05499	7.4
56.96550	2.1
57.03416	2.6
57.07062	3.1
58.06581	3.2
59.04984	2.3
67.05515	9.9
69.03453	3.5
69.07062	4.1
69.79713	10.6
70.06599	3.3
71.04967	2.7
72.08126	3.2
79.05496	9.7
81.07048	10.9
83.04972	3.3
83.08614	4.7
85.02895	3.9
85.06535	3.3
86.41669	1.8
91.05485	8.8
93.07073	10.5
93.07555	2.0
95.04958	7.8
95.08614	14.5
97.06514	3.7
98.97590	2.6
105.04570	2.3
105.07031	15.8
107.04957	7.8
107.08580	8.7
109.06544	11.1
109.10164	5.5
111.04491	2.0
111.07487	2.0
111.08094	22.0
115.05436	2.9
116.98621	1.9
117.07040	2.9
119.04903	2.1
119.08598	10.7
119.09325	2.5
121.06538	5.1
121.10134	5.8
123.04463	10.4
123.08068	31.8
129.07004	2.3
130.06537	9.7
131.04976	2.4
131.06906	8.8
131.08559	6.2
133.06474	4.2
133.10129	8.7
135.08073	9.2
135.11668	3.3
137.09602	4.7
139.03902	16.0
143.08575	4.3
145.10118	14.3
147.04379	6.3
147.08052	4.2
147.11676	7.7
147.17734	1.8
149.09607	7.7
149.13333	2.4
151.07555	100.0
155.08481	1.7
156.09338	2.1
157.10158	6.8
159.11719	6.7
161.09634	4.8
161.13277	1.9
163.11205	2.8
165.05511	3.9
171.11678	3.8
173.13269	5.3
175.11212	5.7
177.12752	2.6
179.10693	3.6
187.11218	4.7
189.12759	22.0
191.14299	7.6
192.11522	4.5
197.11736	16.4
197.13297	3.9
203.08466	2.7
203.14301	2.3
207.11905	3.4
207.13815	50.9
213.16338	2.4
215.14336	2.8
217.12354	5.1
217.15814	2.0
229.23547	3.0
231.08084	6.7
231.17450	2.8
233.15387	20.7
234.11038	5.5
245.09378	1.8
245.18965	2.0
248.08546	3.2
255.17442	3.4
259.07529	4.1
260.08429	1.9
273.18515	14.1
291.10159	15.7
291.13245	22.6
291.19547	63.9
291.27054	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	291.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
55.05522	0.6
58.06599	0.4
60.04517	0.5
61.01157	15.3
67.05498	0.9
69.03438	0.5
69.07081	0.7
69.91435	1.4
70.06596	1.2
71.05000	0.3
72.04525	0.7
72.08168	1.1
79.05508	0.5
81.03448	0.4
81.07076	0.7
83.04922	0.3
84.04520	1.0
84.08152	84.7
85.02895	0.7
86.06068	0.3
86.09705	2.6
87.10077	0.3
88.03993	0.4
91.05497	0.5
95.04984	0.7
95.08631	0.5
96.08168	0.3
99.04411	0.4
105.07024	0.6
107.08575	0.4
110.07165	0.4
111.04470	1.0
111.08086	0.4
114.09233	0.5
117.07063	0.4
119.04971	1.8
123.04444	9.4
125.09644	0.5
127.03936	0.7
127.12331	0.3
129.10248	0.7
130.06544	0.6
132.01167	0.3
132.08441	100.0
133.08733	0.4
135.04442	0.3
139.03915	15.2
143.04912	0.6
145.06526	0.3
147.04420	6.4
149.06039	0.4
151.03918	0.3
151.07556	0.5
157.07642	2.1
159.11700	0.6
161.05983	1.4
163.03915	0.6
165.05496	2.6
185.25179	0.3
188.09448	0.3
190.07310	0.3
191.08250	0.3
198.11293	1.1
199.12318	2.9
203.08498	0.6
204.10295	1.5
207.06577	0.8
215.13914	1.1
219.08475	0.8
227.11937	0.5
231.12054	0.5
237.14745	0.4
243.17039	0.6
245.07858	0.4
245.12862	1.9
246.11560	0.7
247.19983	0.6
248.08218	0.4
261.06522	0.3
273.07645	0.7
273.12347	15.1
273.15747	0.8
274.14520	0.7
291.08337	0.9
291.10239	0.9
291.13434	13.3
291.17322	27.1
293.83563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1594
Annotation	6-Isobutyryl-5,7-dimethoxy-2,2-dimethylbenzopyran
Peak:m/z	Relative Intensity
57.03439	1.9
65.96081	1.4
67.05491	4.4
69.07053	4.0
71.52753	1.3
71.68609	1.4
79.05516	7.8
79.05911	1.6
81.07072	15.3
91.05471	3.4
93.07024	3.0
95.08604	4.0
105.07009	3.5
107.04974	13.7
107.08623	3.8
109.06537	1.7
115.05473	3.1
117.07042	3.0
119.08595	5.7
121.06516	2.1
124.05237	2.4
129.06999	6.6
131.04979	1.6
133.06497	3.9
137.06052	1.7
141.06993	3.5
143.08548	4.3
145.06488	5.5
152.06139	1.6
153.07002	4.2
155.08586	4.2
156.05722	3.4
157.06526	20.5
159.08055	3.4
161.06044	4.2
165.07014	5.8
166.07773	9.0
167.07080	43.0
167.08594	4.3
169.06573	2.2
169.10155	4.9
170.07262	2.7
171.08069	19.7
173.05975	4.9
175.07500	1.9
178.06290	2.3
179.08673	1.9
181.06566	2.4
181.08580	4.6
181.10100	21.1
182.10966	2.2
183.08078	8.8
183.11673	4.2
184.08830	2.4
185.05948	2.9
185.09579	3.0
187.07558	3.4
189.09023	2.5
191.07037	4.0
193.08647	8.8
193.10141	1.9
194.07317	2.1
195.11783	1.9
196.08827	2.2
197.09634	6.8
198.10405	17.9
199.07541	3.4
199.11101	1.9
201.12714	2.1
205.08633	11.1
207.10172	1.7
209.09659	14.6
211.07603	5.5
211.11252	1.6
213.12762	25.2
216.07768	2.0
217.08641	15.7
218.09415	3.7
219.10158	6.5
225.09203	2.7
226.09833	6.9
227.10585	2.2
229.08551	1.7
229.12294	4.7
231.10242	8.0
232.11031	2.3
241.12267	47.6
242.12990	2.3
243.10254	6.2
258.12558	8.5
259.13297	7.9
261.14816	10.3
273.14874	79.4
291.15930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1592
Annotation	Pycnanthuquinone C
Peak:m/z	Relative Intensity
55.05506	6.5
58.06613	4.0
67.05515	26.2
69.35348	3.5
73.96699	3.1
74.97999	2.8
79.05491	16.2
81.07062	100.0
84.10191	2.9
91.05504	6.6
93.07052	11.1
95.04967	7.7
95.08611	17.3
101.80666	3.6
105.03394	88.1
105.04469	3.7
105.07040	9.4
107.08598	8.0
109.06565	3.7
116.33163	2.9
119.08591	5.5
123.04430	15.8
123.11708	76.6
128.60704	3.2
131.05736	2.9
131.08617	3.3
133.10141	4.8
139.03931	22.8
141.43661	2.9
147.04402	8.7
147.11676	3.0
151.11212	3.2
165.05492	5.7
177.29323	3.2
245.15413	10.6
246.18623	3.9
274.21829	4.7
291.10474	4.0
291.19235	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1591
Annotation	Madolin D
Peak:m/z	Relative Intensity
53.03944	0.9
55.05514	1.4
57.03428	2.0
59.89542	0.8
62.31639	0.9
67.05492	3.1
69.07060	1.7
70.41460	0.9
70.62833	3.1
79.05492	7.9
81.07059	15.8
85.06528	1.1
89.06016	1.2
91.05477	2.7
93.07045	3.3
95.04978	1.7
95.08604	3.6
105.07042	4.7
107.04961	17.7
107.08595	1.9
109.10165	1.9
115.05416	2.2
117.07014	2.8
118.04111	1.1
119.08597	5.2
121.06496	2.3
122.43560	1.0
123.04417	1.4
124.05205	2.1
128.06236	1.7
129.07010	3.8
130.07764	1.2
131.04858	2.4
131.08522	2.5
133.06509	3.1
137.09584	1.0
141.06970	2.9
142.07750	1.4
143.04871	1.1
143.08580	3.8
144.05736	2.1
145.06491	5.7
147.04440	2.1
147.08047	2.1
151.07600	1.3
153.07005	4.3
155.07339	1.2
155.08545	5.7
156.05719	2.9
157.06496	22.2
157.10107	2.0
158.07211	1.8
159.08110	3.4
160.05284	1.3
161.05969	5.0
165.06990	7.3
166.07779	10.4
167.05647	2.2
167.07057	36.3
167.08432	2.1
168.09329	1.3
169.06497	2.3
169.10153	4.4
170.07288	3.0
170.10931	2.0
171.08055	22.0
172.08763	1.3
173.05948	6.0
173.09732	0.9
174.06860	1.2
175.07587	2.3
178.06271	2.6
179.08524	1.4
180.09312	2.2
181.06514	1.4
181.08609	4.1
181.10144	21.2
182.10921	1.2
183.08067	7.8
183.11682	5.3
183.86330	1.0
184.08902	3.1
185.05963	3.0
185.09663	2.7
185.13173	1.2
187.07597	3.1
189.09157	1.4
191.07114	5.5
193.08621	7.6
194.07272	1.8
195.08089	2.2
195.11713	2.3
196.08842	1.7
197.09633	7.9
198.10410	11.3
199.07582	3.4
199.11234	1.0
201.09143	1.6
201.12790	1.5
202.06248	2.0
203.07030	2.5
204.07840	2.2
205.08612	11.5
207.10236	2.0
209.09602	15.2
210.10481	1.5
211.07556	5.6
211.11246	2.7
212.08293	1.8
212.11975	2.0
213.09424	2.2
213.12746	25.5
215.10660	2.9
216.08002	1.0
217.08594	13.1
218.09457	3.5
219.10104	7.0
223.11177	1.1
225.09123	3.5
226.09929	6.8
227.10672	4.3
229.12225	7.6
231.10207	8.4
231.13800	2.4
232.10954	1.9
233.11623	1.3
235.13300	1.1
240.11487	1.2
241.12248	50.6
242.13072	3.3
243.10223	6.5
244.10893	1.7
245.11823	1.6
248.08618	1.0
258.12482	5.2
259.13260	10.1
261.14868	10.9
262.12860	1.0
273.14862	87.6
274.15405	1.7
291.15927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.135
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
53.03939	1.0
55.01871	1.3
56.96574	5.3
57.03438	0.7
58.06608	59.0
60.04531	0.7
60.05640	2.5
60.08174	4.0
65.59402	0.6
67.05492	1.3
68.99774	1.3
69.03438	4.5
70.06604	16.4
71.05006	3.0
71.06930	0.7
71.50845	0.8
72.08159	3.2
73.02915	0.6
74.02421	0.9
81.03426	3.7
81.07045	0.9
82.82680	0.6
83.04986	1.6
84.04507	1.4
84.08132	2.4
84.96051	1.1
85.02902	3.3
85.06521	0.6
86.09705	1.8
87.00817	0.8
87.10003	0.7
88.03960	0.9
88.07622	1.2
89.03910	0.9
91.05482	1.5
95.04965	1.9
95.06073	1.1
97.02893	1.8
98.97602	4.2
99.04465	1.1
105.03429	0.6
105.07031	0.9
109.02901	3.1
110.07203	0.8
111.04464	1.5
112.08730	2.7
114.10267	0.9
115.05469	1.8
115.08699	2.3
116.07099	4.3
116.10629	0.7
116.98669	1.4
117.07030	1.4
119.04954	2.1
123.04445	27.9
124.99136	1.6
127.03951	4.6
128.06221	0.8
128.07104	1.3
128.98604	0.9
129.05501	0.8
129.07013	1.4
129.10165	0.7
130.06532	0.9
130.08673	0.9
130.09689	0.7
134.04494	0.8
135.04436	1.8
137.06015	0.9
139.03920	46.5
140.07216	0.9
143.00153	2.2
143.04936	1.2
143.07297	1.1
143.10080	0.7
144.08080	8.4
145.02858	1.5
145.06500	1.5
147.04419	10.4
150.05441	0.8
151.03937	0.8
154.06538	8.8
158.06059	2.0
158.09286	1.5
158.99689	0.8
159.11717	1.1
160.07581	5.3
161.01236	2.3
161.04817	0.8
161.05923	3.4
163.03920	7.4
165.05495	7.0
169.04916	1.2
170.06053	4.9
172.07632	3.9
173.01335	0.6
175.11923	8.1
177.05501	0.9
179.07077	2.0
182.06036	4.9
186.05557	7.7
186.07623	1.0
188.07085	4.1
196.03989	6.5
199.06305	1.1
200.07092	48.1
205.00183	1.2
207.06551	2.8
210.05589	3.4
216.06691	0.7
223.01288	0.9
228.06827	3.3
232.06094	3.9
232.08134	1.5
237.02739	0.8
246.07733	13.0
247.14470	1.1
261.12360	1.1
273.07434	1.0
273.12170	1.1
274.10532	0.7
291.08459	2.6
291.13361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1301
Annotation	N-(L-Arginino)succinate
Peak:m/z	Relative Intensity
51.58210	0.6
55.05514	0.9
56.96570	0.7
60.05379	0.8
60.05658	13.0
61.76083	0.5
69.03414	0.8
70.06600	56.8
71.01349	1.4
71.04999	9.5
71.51054	0.6
71.51411	0.8
72.08171	5.0
73.73141	0.6
74.02430	1.8
81.03429	0.8
84.08134	1.1
85.02898	1.6
88.04008	1.4
88.07635	2.7
89.02398	1.1
95.06102	4.5
97.07642	2.4
98.02399	1.9
98.06039	2.5
98.97551	0.7
110.02459	1.0
112.08755	9.7
113.07137	3.2
114.05541	1.7
114.10333	1.4
115.08698	8.4
116.03430	2.5
116.07104	15.0
118.08643	1.7
122.05922	0.6
123.04417	0.9
124.99094	0.6
127.03945	1.4
128.07059	1.4
130.08878	0.7
130.09789	4.2
131.12871	0.9
134.04503	3.0
139.03938	2.2
140.07062	2.5
140.08186	1.7
143.00171	0.9
144.06578	0.8
150.05499	2.0
152.81847	0.6
157.09741	0.8
157.10901	1.1
158.08064	1.0
158.09258	8.2
168.06543	3.9
175.11928	41.3
185.09225	1.1
186.07680	3.7
188.09143	0.6
195.07727	1.3
196.06047	2.6
210.08788	1.2
211.07230	0.7
213.08749	1.8
214.07071	3.8
217.12985	1.0
228.09834	1.8
231.09789	1.8
232.08165	9.6
238.08217	2.9
245.12506	2.0
256.09338	2.4
273.11993	1.3
274.10376	2.2
291.13013	100.0
292.13354	0.9
307.54459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.9
53.03960	1.2
55.01876	3.3
55.05519	6.5
56.14300	0.7
57.03441	4.6
57.07064	2.1
59.04998	1.6
61.02934	3.3
67.05514	7.8
69.03422	2.7
69.07075	37.3
69.40675	5.3
71.04990	3.0
73.06557	0.8
79.05499	19.3
81.03429	1.1
81.07062	13.8
83.04986	1.2
83.08619	3.0
85.06536	2.9
87.08107	1.0
88.06075	0.7
89.03915	5.4
91.05466	3.8
93.07055	6.5
95.04976	2.9
95.08618	10.8
95.09224	0.8
97.06539	90.0
97.10158	0.9
98.97570	2.4
103.05460	2.5
105.03400	1.4
105.04520	1.0
105.07033	3.6
107.04972	3.3
107.08614	5.8
109.06560	1.0
109.10175	5.7
111.04434	1.4
111.08093	4.9
111.11703	1.4
112.08885	0.9
115.05462	1.2
116.98587	1.0
117.03384	8.8
117.07034	1.0
119.04931	1.7
119.08580	2.1
121.10139	3.6
122.30506	0.6
123.04432	10.2
123.08034	1.4
123.11708	4.7
128.06227	0.7
129.07004	2.0
129.09129	4.2
131.04932	2.5
131.08578	0.9
133.02866	6.4
133.06497	1.2
133.10138	2.1
134.03639	1.1
135.04420	11.6
135.11691	3.5
137.13275	1.5
139.03912	17.6
139.11165	1.3
142.07840	0.9
145.02867	8.7
147.04430	4.7
147.11687	2.3
149.05989	1.0
149.13242	2.6
151.03918	1.4
151.07582	1.6
153.12759	1.2
157.06544	1.0
159.03264	0.8
159.04453	9.6
159.07950	0.9
159.11656	1.3
161.02356	27.5
161.05934	1.8
161.13242	1.2
163.03922	55.5
163.14888	1.3
165.05496	2.2
169.06602	1.0
171.08121	0.7
171.11734	0.9
173.02361	67.4
175.03860	1.3
175.14880	1.6
177.05507	2.8
177.16261	1.2
179.03394	1.7
185.06026	4.7
186.03156	1.5
187.03957	2.0
187.07529	2.0
191.03404	21.2
191.18010	1.3
193.05061	0.9
195.08092	1.2
197.06097	1.2
199.03978	1.5
199.07510	1.2
203.08659	1.3
205.04973	2.4
207.06534	1.5
207.13675	1.0
213.09079	2.6
215.07039	100.0
217.05031	2.4
223.07489	1.4
229.08595	1.7
231.08250	1.1
233.08076	18.0
241.08594	15.4
248.08261	1.7
249.02818	1.3
255.17596	1.0
259.07013	1.5
259.09686	28.9
260.08215	1.1
273.08307	0.7
273.11154	5.6
273.18384	1.4
273.25836	1.8
276.07745	1.1
291.09485	3.4
291.12839	6.5
291.15726	1.0
291.19641	3.2
291.26807	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	291.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.6
54.50439	0.5
55.01878	3.6
55.05513	7.2
57.03446	6.6
57.07085	1.7
59.04998	2.0
60.55419	0.5
61.02929	3.7
67.05510	8.7
69.03432	1.5
69.07073	48.2
69.53647	3.1
71.05003	2.4
71.08652	0.9
77.03946	1.2
79.05499	17.4
79.17059	0.5
81.07062	22.3
83.08606	3.7
85.06542	3.9
87.08105	2.0
89.03910	4.9
91.05481	2.9
93.07052	6.2
95.04959	1.5
95.08616	14.5
97.06538	86.8
97.10193	1.5
99.08105	1.2
103.05474	1.2
105.03397	1.1
105.07031	2.0
107.04971	1.4
107.08593	6.4
109.06464	0.8
109.10162	10.1
111.08080	5.4
111.11743	4.3
112.08894	0.6
114.90982	0.5
117.03389	7.2
117.07027	0.5
119.04967	0.8
119.08601	2.3
121.10162	4.9
123.04466	3.1
123.11717	7.5
125.09603	1.1
128.06261	0.6
129.07028	0.8
129.09117	3.5
130.24420	0.6
131.04953	2.0
133.02866	5.7
133.06485	0.8
133.10155	1.4
135.04427	10.4
135.08122	0.6
135.11702	2.7
137.13287	3.5
139.03886	4.6
139.11192	5.1
145.02859	8.6
147.04442	2.4
147.11726	1.4
149.13266	4.7
151.03915	0.7
151.14851	0.8
153.12698	1.5
154.09648	0.6
157.06488	1.7
159.04424	8.9
159.08081	0.9
161.02354	31.1
161.13261	1.3
162.23135	0.5
163.03917	55.0
163.14789	2.6
163.88074	0.5
165.05545	0.6
167.08594	0.9
167.14366	0.7
171.04477	0.7
173.02359	69.2
175.03990	0.6
175.14786	0.8
177.05504	1.7
177.16402	1.5
179.03482	0.8
181.15811	0.6
185.06007	4.7
186.03166	1.8
187.03831	1.5
187.07576	1.9
191.03383	8.5
195.08060	1.2
195.17595	0.6
197.06046	0.8
203.17982	1.3
205.19609	0.7
213.09146	1.3
215.07043	100.0
217.04955	1.2
217.19572	0.7
223.07367	0.8
231.08124	1.3
233.08090	8.4
241.08623	10.6
247.24214	0.7
248.08372	1.2
259.09726	18.0
260.08374	1.1
263.10648	0.7
273.11249	3.6
273.25842	1.7
276.07776	1.0
291.09958	2.6
291.12729	8.1
291.19525	1.4
291.26810	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01876	4.9
55.05265	1.2
55.05511	8.4
57.03440	4.4
57.07080	3.7
59.04995	1.4
61.02921	3.2
63.20546	0.7
65.03931	1.2
67.05521	11.5
69.03442	4.8
69.07076	37.6
71.04994	3.9
71.52574	1.4
72.08145	0.9
73.02914	1.2
77.03912	1.0
79.05068	1.5
79.05502	19.7
81.03409	2.5
81.07065	18.3
83.04981	2.7
83.08615	3.1
84.04484	0.8
85.02905	3.0
85.06551	7.1
87.08115	6.7
89.03915	6.4
91.05495	7.0
93.07059	10.6
95.04993	5.1
95.08058	1.5
95.08620	20.2
97.02930	1.4
97.06542	82.4
97.10188	2.0
98.97588	1.1
99.04468	1.4
99.08081	1.2
103.05473	2.0
105.03373	1.7
105.04536	0.8
105.07034	6.9
107.04991	4.5
107.08595	9.5
109.02897	1.0
109.06513	2.8
109.10171	9.7
111.04422	1.6
111.08111	5.7
111.11732	1.8
113.09644	1.9
115.05495	2.5
117.03389	8.0
117.07038	4.5
119.04938	3.3
119.08603	6.1
121.06554	1.2
121.10150	7.0
123.04449	13.9
123.08067	5.3
123.11742	3.9
128.06232	1.2
129.07028	3.0
129.09113	4.1
131.04926	3.0
131.08604	5.9
133.02856	5.4
133.06487	1.1
133.10127	5.5
135.04443	9.8
135.08086	2.5
135.11714	4.3
137.06004	1.5
137.09630	1.8
137.13269	1.9
139.03918	19.5
139.11194	2.0
141.07010	3.9
141.09116	2.3
143.04948	1.3
143.08566	1.7
144.05701	1.6
145.02858	6.1
145.06496	1.5
145.10147	3.1
147.04431	6.8
147.08067	1.3
147.11740	1.9
149.09653	4.0
149.13286	2.5
151.03935	2.7
151.07544	1.7
151.11192	1.3
153.05478	1.0
157.06523	2.0
157.10188	1.9
159.04457	8.9
159.08083	2.6
159.11690	1.8
161.02364	30.4
161.05931	4.2
161.09651	1.6
161.13268	2.7
163.03923	52.1
163.11273	1.4
163.14857	2.3
165.05518	2.6
165.09073	1.2
167.08528	1.4
168.96091	0.9
169.06465	2.2
171.11748	1.0
173.02368	62.6
173.09531	0.8
173.13286	1.9
175.03903	1.1
175.07520	1.4
177.05518	2.3
177.09164	6.2
179.03362	1.9
179.07062	1.5
179.10745	1.0
185.05998	4.2
185.09648	2.0
185.13274	1.3
186.03221	1.2
187.03940	1.2
187.07573	9.3
189.05507	1.2
189.12679	1.5
190.41530	0.9
191.03416	22.7
195.08049	2.2
197.06017	3.0
199.03903	1.0
199.07483	1.0
199.11249	1.3
200.04814	0.9
201.05562	1.1
201.09140	3.8
201.12645	0.8
202.07803	2.4
203.08612	2.0
203.10565	1.3
205.04860	1.9
205.06531	2.3
207.06650	1.2
213.05521	0.9
213.09178	3.1
213.16316	0.9
215.07053	100.0
216.07092	0.9
217.04993	2.8
217.12344	1.3
220.08916	1.1
227.10704	1.0
229.08676	1.0
230.07326	1.0
231.08023	3.6
233.08101	20.5
237.16461	1.2
241.08650	12.7
248.08374	3.4
259.07428	1.6
259.09604	22.1
260.08377	3.7
263.10593	1.1
273.11270	3.2
273.18579	5.6
276.07950	2.2
291.09723	10.0
291.12494	7.7
291.19531	11.4
291.26752	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	291.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	11.5
55.01879	3.7
57.03444	5.6
58.06601	3.0
60.08189	1.1
61.02929	3.7
67.05497	1.6
68.99798	6.6
69.03438	63.8
70.06597	2.6
70.86411	1.7
70.86740	1.2
71.05006	10.8
73.02927	1.5
81.03424	59.3
83.04982	1.3
84.04515	9.9
85.02912	44.6
85.04849	5.4
87.00836	20.5
91.05500	2.4
92.69773	1.1
93.07040	1.5
95.04977	3.4
97.02903	11.0
99.04465	20.5
103.03961	2.4
105.01847	5.3
109.02895	49.8
111.04453	2.7
119.04958	5.0
123.04443	62.2
126.05475	1.9
127.03930	100.0
129.01848	2.1
129.05473	1.4
139.03918	88.0
143.05000	1.3
145.04987	2.2
145.10143	1.2
145.34698	1.2
147.02818	1.3
147.03137	1.3
147.04436	20.1
151.03905	2.0
158.93535	1.1
160.07623	1.4
161.05995	4.7
163.03920	2.4
165.05499	12.2
169.04945	2.3
172.07565	1.6
179.07092	2.9
180.03230	1.1
189.05469	2.4
190.04976	3.4
203.07198	1.1
207.06572	4.0
213.03940	3.4
231.04958	12.4
231.06819	1.1
249.07672	2.5
273.07758	3.4
273.12396	1.2
291.08865	12.1
291.13629	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	291.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.3
53.03947	9.6
53.92746	1.1
55.01864	4.1
57.03435	4.8
58.06604	3.0
61.02925	4.4
63.94044	1.0
65.03931	1.4
67.05488	1.9
67.90632	1.0
68.99794	5.3
69.03439	55.0
70.06599	2.2
71.05000	12.0
71.52135	1.0
71.52499	1.3
72.08165	1.3
73.02929	1.1
79.05520	1.6
81.03426	55.7
83.04984	2.5
84.04510	8.4
85.02915	39.8
85.04848	6.3
87.00845	19.5
91.05476	2.5
95.04944	3.1
97.02899	12.9
98.97615	1.6
98.98498	1.3
99.00806	1.5
99.04462	19.3
99.50470	1.1
105.01874	4.7
105.06978	1.5
105.85246	1.1
109.02893	40.4
111.04451	3.4
111.93078	1.1
115.05461	1.7
116.07116	1.4
119.04967	5.3
123.04445	61.0
126.05538	1.5
127.03933	89.1
129.01892	2.8
129.05435	1.3
133.06494	1.5
135.04425	1.3
139.03920	100.0
143.04941	2.5
145.04987	3.5
147.04430	22.6
151.03944	2.3
160.07552	2.2
161.06059	5.8
163.03970	1.9
165.05493	15.8
172.07582	1.5
173.06076	1.2
179.07101	2.5
181.05118	1.3
190.04993	3.4
207.06578	5.3
213.03972	4.3
231.04935	9.6
232.09750	2.5
249.07605	1.4
273.07883	1.5
273.12405	1.7
291.08768	9.6
291.13446	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	291.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88024	1.0
63.98120	0.8
68.99804	1.1
69.03410	1.0
69.23502	7.9
79.05529	1.3
79.07114	0.8
80.45935	0.8
81.03418	3.9
87.00869	1.4
87.75653	0.9
88.03968	1.7
91.05503	1.2
93.07053	0.9
94.20763	0.9
94.98809	0.9
98.06067	1.2
103.05528	1.1
105.07072	1.0
109.02862	1.7
115.05451	5.0
117.05761	1.6
118.06548	12.4
121.10153	1.9
123.04438	5.9
127.55803	1.0
129.07005	1.5
130.06541	100.0
132.08101	32.9
133.10117	1.2
139.03909	8.0
142.06519	10.0
143.07303	1.7
143.10687	1.8
144.08109	7.2
146.06020	20.4
147.04425	8.2
154.06497	1.1
156.02927	1.3
156.08078	2.8
157.07646	4.6
158.06010	2.2
158.08401	4.4
158.09569	1.1
159.09200	87.2
160.07610	7.6
165.05447	1.9
167.06076	1.7
169.07645	3.9
170.06029	31.1
171.09232	1.2
172.07500	1.6
174.04033	1.8
181.07611	2.0
182.06068	1.5
183.09271	4.8
184.07599	17.9
185.07117	44.1
187.08687	3.7
188.07083	38.0
188.08784	1.9
199.08684	2.6
200.07080	6.9
201.10249	13.0
205.09737	1.7
209.07143	2.3
227.08174	45.7
229.09799	2.8
231.07605	3.3
237.42545	1.0
245.09241	100.0
255.07780	3.0
273.08783	13.7
291.09607	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0975
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
52.82016	1.1
69.53385	6.8
83.30368	0.8
87.00830	2.3
88.03997	1.5
91.05476	1.2
115.05441	3.8
118.06542	11.4
123.04440	1.0
129.07040	1.3
130.06531	100.0
132.08093	34.1
139.03876	2.3
142.06519	11.4
143.07347	2.1
143.29968	1.2
144.08080	4.8
146.06015	17.8
147.04387	0.9
156.02861	1.1
156.08069	3.7
157.07620	3.7
158.06010	2.5
158.08388	4.9
159.09187	91.7
160.07600	7.2
160.25638	0.9
167.06027	1.9
169.07610	2.9
170.06023	31.4
172.07562	1.6
174.04034	1.1
181.07605	2.3
182.06079	1.4
183.09152	5.0
184.07578	17.1
185.07100	43.7
187.08667	4.3
188.07079	41.5
188.08824	1.6
199.08627	2.9
200.07065	9.1
201.10216	14.7
205.09760	1.6
209.07019	1.4
227.08154	47.5
229.09700	3.0
231.07623	3.2
245.09222	99.2
255.07639	3.9
273.08685	14.0
291.09787	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	291.0865
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02379	0.4
55.01879	1.7
56.55220	0.3
63.02386	0.3
65.03944	0.8
67.05502	1.0
68.99786	1.8
69.60799	0.3
71.17236	0.3
71.17571	0.4
71.95618	0.3
77.03936	0.5
83.04987	1.3
85.02882	0.5
86.06161	0.3
91.05458	1.4
91.27323	0.3
93.03432	1.4
95.04979	2.6
97.02905	0.8
100.89893	0.3
105.03383	0.6
105.07048	0.5
107.04903	0.3
111.04457	2.6
115.05457	1.1
119.04972	5.9
121.02895	0.4
123.04446	65.0
127.03907	0.9
131.04987	0.3
133.06480	0.8
135.04431	0.9
137.02344	0.9
137.05986	1.0
139.03920	100.0
143.04944	3.0
147.04428	20.2
151.03909	2.1
153.05484	0.8
161.06009	7.3
163.03937	1.6
165.05498	15.6
169.04932	2.0
177.05511	1.0
179.07039	3.0
181.05037	0.9
189.05473	1.7
207.06557	6.8
227.06998	0.3
249.07571	1.2
273.07755	1.6
291.08673	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	291.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.3
55.01874	1.7
65.03951	0.9
67.01894	0.2
67.05506	1.4
68.74889	0.3
68.99791	1.5
69.03434	0.6
69.57078	1.3
70.06609	0.5
72.08154	0.3
79.05518	0.2
79.57506	0.3
81.39333	0.2
83.04998	1.3
85.02914	0.6
91.05466	1.6
93.03413	1.2
95.04974	2.9
97.02909	0.9
99.04517	0.3
105.03382	0.3
105.06990	0.3
107.04959	0.7
111.04445	2.8
115.05447	1.2
119.04954	5.4
123.04440	62.8
127.03935	1.2
130.06561	0.8
131.04924	0.5
133.06502	1.0
135.04433	0.6
137.02332	1.0
137.05969	0.8
139.03915	100.0
140.04251	0.5
143.04938	2.7
147.04427	21.1
149.05901	0.3
151.03932	2.5
151.07584	0.6
153.05467	0.7
159.04396	0.6
160.07629	0.4
161.05994	7.4
161.07265	0.4
163.03935	1.6
165.05495	15.6
169.04967	1.4
175.07495	0.3
177.05502	1.0
179.07050	3.1
181.04947	0.8
189.05484	1.5
205.08574	0.4
207.06538	7.0
207.08415	0.4
213.10403	0.3
214.10957	0.4
221.15201	0.2
231.06590	0.4
249.07545	1.1
273.07587	1.7
273.12329	1.4
291.08649	8.6
291.13351	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0865
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02393	0.3
53.03937	0.3
55.01864	1.7
65.03938	1.3
67.05510	1.5
68.99807	1.5
70.48826	0.9
70.49163	0.3
78.10808	0.3
80.43265	0.3
81.03404	0.3
83.04985	1.6
85.02909	0.7
88.01279	0.3
91.05486	1.6
93.03412	1.1
95.04974	3.0
96.04756	0.3
97.02924	0.4
98.20755	0.3
105.03410	0.5
107.04958	0.4
111.04456	3.2
114.94634	0.3
115.05480	1.1
119.04947	5.5
121.02920	0.4
123.04438	62.2
127.03908	1.1
131.04922	0.4
133.06502	0.9
135.04431	0.7
137.02351	0.7
137.05989	0.9
139.03912	100.0
140.04227	0.3
143.04962	2.6
147.04422	21.0
151.03932	2.6
151.07545	0.7
153.05432	0.7
159.04445	0.4
161.06009	7.7
163.03944	2.3
165.05490	14.2
165.06897	0.8
169.04988	1.7
177.05481	1.1
179.05956	0.3
179.07083	3.0
181.05011	1.0
189.05490	2.3
203.06960	0.4
203.16501	0.3
207.06554	7.7
249.07623	1.6
273.07608	1.2
273.12424	0.5
274.05112	0.3
291.08646	6.9
291.13531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.4
53.03947	0.4
55.01863	1.3
55.05524	0.4
57.03439	0.3
58.06598	0.8
59.04986	0.5
62.79425	0.4
63.98472	0.3
65.03941	1.1
67.05499	1.9
68.99786	1.7
69.03426	1.1
69.49583	0.6
69.49987	2.1
70.06587	1.2
71.04997	0.5
72.08160	0.4
77.03892	0.3
79.05509	0.6
81.03409	0.4
83.04986	1.2
84.04507	0.5
84.08138	1.2
85.02902	1.1
85.04772	0.4
86.09706	0.7
88.03998	0.3
91.05489	2.3
93.03401	1.0
93.07049	0.4
95.04978	3.1
95.33470	0.4
97.02882	0.4
98.20775	0.7
98.98466	0.5
105.03371	0.5
105.07014	0.7
107.04957	0.8
107.08607	0.4
109.02883	0.7
111.04438	3.1
115.05465	1.2
116.07072	0.4
117.07018	0.6
119.04958	5.0
121.02903	0.5
123.04436	60.5
127.03912	1.3
129.05530	0.5
129.30611	0.4
130.06543	0.5
131.04938	0.4
133.06473	1.0
135.04443	0.8
135.07983	0.3
137.02367	0.5
137.05920	0.8
139.03911	100.0
140.04265	0.5
141.05452	0.4
143.04919	3.5
145.10126	0.4
147.04416	24.8
149.06076	0.5
151.03929	2.5
151.07547	0.5
153.05479	0.9
160.07579	1.1
161.05997	7.6
163.03947	3.0
163.07552	0.4
165.05495	14.2
169.05002	1.6
170.56306	0.4
172.07668	0.6
177.05467	0.7
179.07030	3.4
181.04959	1.4
185.05998	0.5
189.05487	1.7
190.05011	0.8
203.07291	0.5
205.08658	0.5
207.06535	6.8
227.91037	0.4
232.09775	0.7
249.07643	1.3
273.07593	2.0
291.08609	8.0
291.13467	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22769	0.3
53.03956	0.5
53.94025	0.3
55.01870	1.3
60.01123	0.3
65.03939	1.0
65.48240	0.3
67.05515	1.6
68.99806	1.7
69.03425	0.4
70.09636	0.3
71.44331	0.3
72.13361	0.3
77.03894	0.3
80.45934	0.3
83.04983	1.5
84.08150	0.4
85.02902	0.4
91.05481	1.4
93.03418	1.1
95.04984	2.8
96.43993	0.3
97.85106	0.3
105.07045	0.8
107.04929	0.6
111.04483	2.4
115.05464	1.1
119.04958	6.0
123.04442	65.4
127.03947	0.8
131.04999	0.5
133.06512	1.0
134.49384	0.3
137.02345	1.2
137.05952	0.8
139.03918	100.0
140.04259	0.6
143.04919	2.9
147.04428	21.2
151.03891	2.7
151.07504	0.8
153.05482	1.1
159.04517	0.5
161.06001	8.1
163.03926	1.4
165.05495	15.5
169.04955	1.4
177.05486	0.9
179.07031	2.9
181.05028	1.1
189.05504	1.7
205.08736	0.4
207.06560	6.5
249.07623	1.2
273.05118	0.4
273.07639	1.6
291.05701	0.3
291.08658	7.3
298.00629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	21.9
57.03434	4.6
58.06599	33.9
60.05644	11.2
69.03428	12.6
69.94472	9.4
70.06596	69.9
71.04998	11.4
72.08150	10.6
81.03423	10.6
83.04975	2.4
84.04494	4.5
84.08152	9.7
84.96037	6.0
85.02904	17.1
85.67992	2.4
86.09718	4.1
87.00784	2.9
87.10065	2.8
89.38490	2.7
95.04998	4.2
95.06100	5.5
97.02883	6.6
98.06081	3.3
98.97588	35.7
109.02897	4.5
110.97571	7.7
111.04510	3.2
112.08730	9.5
115.08712	8.8
116.03465	3.5
116.07139	16.4
116.98619	13.3
117.12708	2.5
119.04083	2.3
119.04937	7.6
121.01698	3.3
123.04430	57.6
124.99140	9.1
127.03925	15.0
128.98642	6.3
129.05476	6.5
129.06505	2.3
130.08662	3.7
130.09763	3.8
134.04449	4.4
135.04402	4.5
139.03905	75.1
140.98665	2.4
143.00171	13.3
143.04924	3.3
144.08118	4.0
147.04356	16.4
151.03844	4.6
154.06512	3.9
157.01836	2.7
157.03394	2.9
158.09276	6.1
158.99657	10.1
160.07640	4.6
161.01257	11.0
161.06003	6.9
163.02721	3.9
163.03928	7.8
165.05489	11.3
170.08051	3.1
172.07539	4.1
175.02650	3.2
175.11908	31.4
177.00717	7.8
185.09384	2.5
186.07648	4.1
188.09387	3.4
189.00774	3.7
189.04236	3.2
196.04048	3.0
200.07031	13.1
203.02260	3.7
205.00293	5.3
207.06570	5.6
210.08818	3.8
213.08876	3.1
214.06984	3.0
219.01816	5.1
220.12019	4.5
223.01222	4.8
223.04839	7.0
231.09656	3.2
232.06088	3.2
232.08177	5.8
237.02780	7.6
245.12474	3.6
246.07747	4.8
248.99278	4.7
265.26697	3.5
267.00281	3.8
291.08429	42.5
291.13116	100.0
291.16364	5.0
309.08563	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	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43309	4.5
55.01868	6.5
55.05499	4.6
56.96296	6.6
56.96566	69.5
57.03429	4.9
59.32074	3.6
60.04530	10.9
61.02926	3.8
69.03422	17.5
69.04565	4.3
69.07037	4.9
70.06606	22.8
70.45846	10.1
70.98114	18.2
71.04986	7.1
72.08156	18.6
73.02917	8.8
74.06081	6.1
79.41387	4.1
81.03425	4.5
81.07074	10.6
83.04997	6.1
84.04509	18.7
84.08150	28.0
84.96053	14.1
85.02921	22.1
85.06530	4.3
86.09714	35.5
87.04485	5.1
87.05580	6.5
87.10058	13.8
88.99158	4.1
89.03934	3.9
90.39509	3.8
91.05483	12.5
95.04981	7.8
95.08630	5.6
97.02898	11.0
98.97589	100.0
98.98259	6.3
98.98524	8.5
100.99117	5.0
107.04944	4.9
109.02911	5.1
110.97562	34.2
111.04501	6.6
111.08089	9.3
112.07584	5.4
112.99136	7.4
116.01620	5.0
116.07120	5.9
116.98616	35.1
117.03374	6.0
119.04922	8.5
120.08077	7.3
121.10133	6.6
123.04439	18.7
124.99136	17.2
126.05521	17.2
127.03918	9.1
128.98601	32.8
129.05463	4.4
129.09158	13.2
129.10240	11.5
130.08629	7.3
131.00185	7.4
134.99609	5.6
135.04463	4.8
136.07602	13.9
139.02908	3.9
139.03902	25.8
140.98557	4.6
143.00191	31.2
143.01944	4.3
144.12218	6.2
144.98108	3.7
146.99678	14.7
147.03326	10.8
147.04419	16.7
149.01215	5.1
151.07523	6.4
155.04640	7.1
158.11810	4.3
158.99657	13.9
161.01250	29.9
162.99165	6.2
163.03938	18.2
165.04388	13.5
170.99655	15.1
173.01387	4.2
173.12939	10.0
174.13188	16.2
175.04398	4.4
177.00720	15.0
177.03288	9.0
179.02248	6.2
179.04939	4.3
185.01285	5.6
187.14441	8.7
188.14790	19.3
189.00729	14.0
189.04335	5.4
193.03703	6.4
201.00777	6.8
201.06052	5.4
202.12633	9.3
204.94875	4.1
205.00201	5.8
207.05351	6.8
210.06506	7.8
216.14276	5.8
219.01758	35.5
231.01836	10.7
231.05260	6.4
237.02814	55.5
237.08846	6.0
245.05788	4.7
249.02884	13.3
267.03827	6.3
273.12634	4.6
285.50037	4.4
291.03915	8.9
291.08276	71.8
291.13193	9.8
291.15924	5.2
309.04843	11.2
309.08591	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.248
Annotation	17a-Aza-D-homoandrost-5-en-3beta-ol
Peak:m/z	Relative Intensity
53.03936	1.7
55.01858	0.6
55.05500	2.4
57.07061	2.0
65.03931	0.9
66.04707	1.8
67.05508	24.6
68.06291	18.8
69.03433	1.0
69.06732	0.8
69.07072	11.9
69.81837	3.1
70.06575	0.6
71.08638	23.4
72.04519	0.7
78.72308	0.5
79.05499	6.5
81.03414	0.7
81.07067	6.5
82.06579	1.1
84.04516	1.5
86.06055	0.9
86.09715	0.8
88.11264	1.9
91.05470	5.9
93.07052	8.5
95.04969	4.3
95.08614	5.0
96.04505	3.3
96.08126	0.9
97.05261	1.5
98.06035	1.1
105.07041	3.2
107.04942	0.7
107.08599	5.2
108.54462	0.6
109.05461	0.5
109.10149	2.2
110.06061	3.8
110.06670	0.6
112.07631	0.9
114.09176	6.4
116.10767	1.0
117.07054	1.1
119.08601	3.5
121.06528	2.6
121.10149	3.6
124.07593	2.4
125.08383	4.3
129.06963	0.7
131.08568	1.7
133.06494	1.5
133.10117	2.0
135.08022	0.5
135.11714	2.9
138.09155	2.3
142.12289	1.0
143.08598	0.5
147.04344	0.9
147.08031	0.8
147.11604	0.7
152.10681	0.8
152.14258	0.7
156.13846	2.3
161.09639	0.5
161.13278	0.7
166.12289	12.1
168.13821	0.7
175.14865	1.9
177.16376	2.0
180.13889	3.8
181.14621	15.5
181.16216	0.8
187.14685	0.6
194.15428	0.5
196.11371	0.5
208.16946	5.5
233.50410	0.6
290.24783	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81202	0.8
56.96568	100.0
62.52544	0.7
65.40652	0.7
66.37788	0.7
66.95388	0.7
68.64231	0.7
69.82269	3.9
71.95261	2.6
72.96003	1.0
74.97616	1.1
78.64780	0.8
82.98129	1.0
84.96040	7.7
88.58334	0.8
97.48672	0.7
98.97587	90.6
105.00180	1.6
106.98092	1.5
108.99644	1.4
110.97574	1.5
112.99141	6.2
115.00710	1.2
116.98625	24.8
124.99126	69.1
127.00697	5.5
128.98625	1.6
131.00156	2.7
134.99648	4.7
139.00720	4.1
140.00183	0.9
140.98592	2.0
141.02249	8.7
143.00171	74.7
144.98051	0.9
145.01796	1.8
148.99141	1.8
151.00681	5.7
152.98599	22.7
156.98151	1.8
157.01703	2.4
158.99643	1.1
159.03299	3.8
161.01224	21.9
166.01738	1.3
167.00162	8.0
168.98024	1.8
169.01726	9.8
170.99664	57.1
182.99722	1.5
185.01224	43.5
186.99178	6.9
187.00591	1.0
187.01115	0.9
187.02707	6.8
189.00732	36.7
194.01051	0.8
194.99643	9.3
201.00714	2.1
203.02274	21.0
205.00175	6.4
207.01834	3.1
208.02591	0.8
211.02754	1.8
213.00714	32.4
213.02756	1.9
219.01794	2.2
219.04594	1.0
221.03302	1.8
229.00214	2.9
231.01779	43.7
245.03418	4.8
247.01324	4.4
249.02832	42.9
254.03317	1.1
255.01785	1.6
263.04364	3.8
267.01013	1.5
267.03894	28.2
272.04404	1.3
273.02878	13.3
285.04968	11.2
291.03885	80.2
309.04929	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.01866	4.4
55.05272	1.5
55.05513	17.6
57.07059	1.6
57.62670	1.1
65.03934	3.1
67.05511	22.2
69.07062	3.1
70.06601	7.0
70.77124	2.8
71.07371	1.1
72.08163	71.7
79.05499	50.7
79.05972	1.9
81.03411	4.4
81.06591	1.5
81.07062	23.6
83.04989	1.3
90.09193	2.3
91.05489	84.2
93.03386	1.6
93.06482	2.0
93.07053	30.2
95.04980	6.7
95.08066	1.4
95.08618	18.6
98.06066	8.7
103.05459	3.1
105.04517	1.5
105.07040	28.1
107.04961	26.9
107.08595	9.1
109.06505	1.7
109.10155	4.0
115.05454	4.9
117.07027	68.3
119.08596	57.6
119.09282	0.8
119.09476	1.6
120.05684	1.4
121.06499	3.7
121.10136	1.9
123.08089	1.2
126.09181	7.0
128.06213	2.1
129.06989	7.6
131.04909	3.3
131.08582	48.9
133.06476	2.0
133.10135	19.8
135.07954	1.4
141.06972	4.6
142.07755	1.6
143.08588	10.0
145.06441	3.5
145.10130	15.0
147.08014	2.8
147.11711	1.7
153.06964	1.5
155.08614	3.8
156.54692	1.1
157.10194	1.8
159.08032	3.1
159.11714	10.0
173.13281	30.0
175.14827	14.0
178.12283	13.4
183.11696	4.0
191.12868	1.2
201.12761	10.5
218.08679	1.2
260.65912	1.2
272.20108	100.0
290.17917	1.7
290.21161	23.9
290.26550	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2116
Annotation	Hydroxy-gamma-sanshool
Peak:m/z	Relative Intensity
53.03954	2.5
55.05513	17.9
56.05030	4.8
65.03938	3.7
66.04727	31.0
67.05511	21.9
69.07044	2.9
69.98833	3.8
70.06588	1.6
71.07379	28.0
72.08165	73.9
79.05502	100.0
81.07067	11.0
91.05486	36.0
93.03420	1.9
93.07056	22.7
94.04204	24.7
95.04987	15.4
95.08603	7.1
98.06057	3.0
105.07043	23.5
107.04954	3.2
107.08602	61.6
109.06538	4.4
113.06689	1.6
115.05454	2.3
117.07032	34.2
118.07832	3.0
119.06060	3.4
119.08597	9.4
121.06497	3.1
121.10171	1.7
122.06051	2.8
126.09149	4.8
129.06990	4.3
131.08582	42.5
133.10127	15.3
143.08594	2.3
145.06509	5.0
145.10129	24.6
146.07152	1.8
147.08052	2.2
150.09161	5.1
155.08559	3.0
157.10173	4.8
159.11702	4.1
164.10631	2.5
165.11516	83.6
172.01656	1.3
173.13287	27.8
175.14867	6.0
183.11700	4.3
192.76732	1.7
201.12711	5.3
272.20117	91.9
290.21173	5.8
296.30774	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	290.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.8
53.03951	1.5
55.05505	7.0
56.05043	6.9
65.03943	2.2
66.04389	1.6
66.04728	25.6
67.05514	12.2
70.06593	1.6
71.06978	1.8
71.07378	26.5
71.39084	1.5
72.08163	36.6
73.15700	0.9
79.05502	100.0
81.07042	2.6
91.05490	18.9
93.07047	4.5
94.04194	20.8
95.04991	14.0
95.08624	2.1
96.04492	2.3
98.06062	2.1
105.07034	12.0
107.04951	1.8
107.08606	83.2
109.06535	2.5
111.63033	1.2
116.47551	0.9
117.07031	6.6
119.06096	2.5
119.08595	3.5
121.06556	1.3
131.08575	8.4
133.10135	4.8
136.11130	1.0
143.08598	0.9
145.10172	4.9
147.90352	1.0
150.09161	4.6
164.10736	2.3
165.11510	81.4
173.13264	7.0
201.12712	1.7
210.84557	1.1
218.88176	1.1
238.39404	1.0
272.20105	58.1
290.20963	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70049	0.4
53.03939	1.0
55.01870	0.7
55.05511	3.0
57.07068	1.8
58.06605	0.5
65.03938	1.0
66.04714	2.0
67.05508	26.0
67.31183	0.4
68.06291	16.2
68.08121	0.4
69.03431	1.2
69.07069	10.3
70.06602	0.5
71.08635	33.0
72.04512	1.1
72.08152	0.6
74.83861	0.4
79.05497	7.4
81.03413	1.4
81.07058	6.8
81.45171	0.5
82.06578	1.8
83.04983	0.4
83.08619	0.8
84.04533	1.0
84.08124	1.0
86.06067	0.8
86.09718	0.7
88.07642	0.6
88.11292	2.2
90.36830	0.4
91.05485	5.3
93.07050	9.3
94.04167	1.1
94.06520	0.4
95.04964	4.7
95.08605	4.9
96.04488	3.9
96.05795	0.5
96.08157	0.9
97.05276	1.5
98.06030	1.2
103.05466	0.6
103.11351	0.4
105.07031	2.9
107.04911	1.0
107.08603	4.6
109.10135	1.7
110.06051	4.9
111.06824	1.2
112.07603	2.6
114.09180	6.0
116.10762	0.8
117.07014	0.9
119.08581	3.7
121.06503	1.7
121.10148	4.2
122.22419	0.4
123.11703	0.5
124.07571	2.1
125.08382	3.9
128.06221	0.7
129.06996	0.5
131.08554	1.4
133.06464	1.1
133.10115	1.9
135.11679	4.7
138.09123	1.8
140.10632	0.7
142.07700	0.4
142.12254	1.3
147.08054	0.9
147.11681	0.8
152.10722	0.8
156.13846	2.5
157.07318	0.5
159.11717	0.6
161.13234	1.5
165.11592	0.7
166.12296	12.5
168.13785	0.7
175.14803	1.4
177.16429	1.5
180.13853	3.9
181.13107	0.8
181.14626	15.2
182.15242	0.5
188.64502	0.4
203.14238	1.0
206.15410	0.6
208.17009	3.0
235.44478	0.5
272.20041	0.7
290.24762	100.0
291.25180	0.7
313.08292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2116
Annotation	Hydroxy-gamma-sanshool
Peak:m/z	Relative Intensity
53.03937	1.1
55.01882	1.2
55.05516	6.6
56.96565	0.7
57.07073	1.3
65.03947	0.6
67.05512	8.9
69.07065	1.9
70.02510	2.0
70.06593	5.2
72.08163	25.0
79.05503	11.1
81.07070	10.5
90.09183	1.7
91.05491	30.6
93.07056	12.3
95.04957	0.6
95.08617	7.2
98.06044	2.6
98.97596	5.8
103.05475	1.1
105.07043	12.1
107.05003	3.3
107.08606	5.3
109.06516	0.6
109.10160	2.3
110.06149	0.6
115.05441	1.7
116.98618	2.8
117.07032	44.9
117.30829	0.6
119.08595	16.2
121.06520	0.8
123.08068	2.5
123.52983	0.6
126.09173	3.6
128.06212	1.1
129.06984	2.7
130.04164	0.5
131.08589	34.3
133.06506	0.7
133.10132	4.8
134.99649	0.7
141.06984	2.5
143.08568	9.2
144.89160	0.5
145.10150	10.9
146.91406	0.6
147.11702	0.9
155.08598	1.1
157.10175	1.1
159.08049	1.2
173.13283	25.2
175.14845	5.8
178.12331	1.1
183.02042	0.7
183.11693	2.1
201.03079	1.5
201.12761	6.2
229.10001	0.6
272.20117	100.0
290.10654	2.7
290.21182	13.7
290.26715	1.1
308.11679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2115
Annotation	Hydroxy-gamma-sanshool
Peak:m/z	Relative Intensity
51.59082	1.4
53.03936	2.4
55.05513	10.5
57.07066	3.3
58.06590	1.7
67.05509	12.0
69.07077	1.9
70.06592	8.2
71.04642	3.1
72.08157	44.5
72.13740	1.4
79.05498	14.0
79.05926	2.0
81.03405	1.8
81.07063	10.2
84.04494	1.4
84.08262	1.4
85.54684	1.2
88.07616	2.2
90.09180	5.5
91.05482	32.9
93.07048	11.2
95.04941	1.5
95.08603	7.6
98.06071	7.6
98.97559	2.2
105.07028	12.4
107.04944	2.7
107.08596	5.4
109.10162	4.0
115.05453	2.0
116.39646	1.6
117.07026	44.8
119.08593	12.9
123.08076	4.1
126.09187	3.1
127.26913	1.4
128.06229	4.2
129.06976	3.9
129.52042	1.3
131.08583	37.4
133.10152	7.8
139.03912	1.8
143.08569	17.1
145.10139	10.1
159.11644	1.9
173.13283	14.3
175.14844	5.4
178.12267	2.4
201.12709	4.6
201.29396	1.4
228.23317	3.2
230.15421	1.4
232.08386	2.0
272.20117	100.0
290.09055	7.3
290.21149	55.4
290.26379	9.2
290.29590	2.0
290.70840	1.4
291.10196	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	290.129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	0.4
57.07079	1.9
58.06592	0.5
68.57670	0.3
70.06598	4.4
70.65383	0.6
71.08638	0.3
71.26695	0.3
72.08158	0.7
76.41080	0.3
79.05505	0.4
81.07050	0.4
84.08171	0.3
88.04785	0.3
88.07642	5.6
90.70924	0.3
91.05477	0.4
91.11716	0.2
92.04991	0.3
93.07028	0.3
95.08474	0.3
102.09177	4.2
103.05450	0.7
104.03283	0.3
104.05008	1.9
105.04546	0.3
117.05768	2.1
117.07012	0.4
120.04482	1.8
126.09150	0.3
128.04941	0.3
130.06537	97.4
131.06856	0.4
131.08601	0.4
132.04469	3.6
132.10172	0.3
143.06035	0.6
144.04469	1.3
144.08127	0.8
145.07617	0.6
146.05960	0.4
154.06543	0.5
159.05553	1.1
159.11761	0.5
161.07120	14.3
169.07617	0.6
170.08443	0.4
171.09169	0.8
173.07117	1.0
184.20621	0.4
197.07094	1.4
198.07863	3.7
201.12764	0.5
204.08076	0.4
206.09657	3.9
216.08028	0.3
217.08846	1.8
228.23250	12.4
231.09203	0.9
232.09953	4.7
233.10753	44.2
247.08743	1.7
249.10187	0.5
259.08676	1.0
262.13474	0.6
272.25830	1.0
274.09866	0.5
275.10599	0.9
290.12891	100.0
290.26923	27.1
291.13300	0.3
308.84387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.05498	0.7
55.94028	0.4
56.36521	0.3
56.88069	0.3
67.05511	2.0
69.07063	0.8
71.26324	0.7
72.08166	0.8
79.05492	2.6
81.03400	0.3
81.07055	2.3
84.04504	0.4
87.18342	0.4
87.91331	0.4
91.05482	1.5
93.07046	1.1
95.04966	0.6
95.08601	1.3
97.02882	0.4
105.03394	4.4
105.07001	0.8
107.04945	0.4
107.08599	1.0
109.10169	0.7
115.05500	0.4
117.06990	0.6
119.08579	0.4
121.10164	0.6
131.08563	0.9
133.03484	1.2
133.10146	0.6
134.03490	0.3
144.13870	0.4
145.10202	0.4
150.67238	0.3
151.04521	0.6
165.11546	0.4
173.13231	0.4
175.04605	0.6
189.06972	0.8
204.08025	0.6
206.09669	0.4
216.08099	11.2
217.08844	1.2
220.07486	0.4
228.23146	0.6
233.08331	0.8
234.09082	1.9
244.07622	6.0
246.09105	1.2
261.07825	1.3
262.08734	2.1
272.07068	10.6
272.20020	0.5
290.08118	100.0
290.24857	1.3
291.08377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0914
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
53.85218	0.9
55.36572	1.0
56.96570	39.3
57.03438	1.1
57.07086	1.5
60.95858	1.5
61.02929	1.2
64.00967	1.0
69.03425	2.9
70.06590	5.2
70.98129	1.7
71.04967	1.2
71.51723	1.5
71.95263	2.2
72.08158	14.9
72.96033	2.8
73.02936	2.5
74.06084	5.6
74.09711	2.7
77.14039	0.9
81.07076	0.9
83.97659	1.3
84.08153	7.8
84.96018	3.1
85.02910	6.2
86.09716	14.9
86.97574	1.0
97.02902	2.3
98.97590	100.0
100.99133	1.0
101.00853	4.7
101.07140	2.9
102.00947	4.7
109.02840	1.0
110.97578	4.6
116.02490	1.4
116.07072	1.7
116.98632	38.0
119.01921	6.5
120.02015	6.6
120.06568	1.4
124.99117	3.7
126.02301	1.4
127.03848	2.7
128.10724	2.3
128.98602	3.2
129.10225	2.2
131.00165	1.8
131.01906	1.6
132.01976	1.5
132.10187	1.8
133.03534	1.0
134.01300	1.3
134.03586	2.4
134.99680	7.9
137.01805	1.0
137.05974	1.1
138.03084	1.2
140.00172	1.2
140.03856	2.6
140.98709	1.2
142.05412	2.7
143.00160	8.1
143.01901	2.1
143.11823	6.2
144.02031	2.1
145.01782	1.0
145.05000	1.3
146.99579	1.8
154.28329	1.0
157.13460	2.4
158.03680	1.1
158.04922	4.0
158.99649	5.0
160.02768	1.3
160.06471	4.1
161.01212	3.4
161.02884	3.3
162.03133	5.2
165.00688	1.3
169.01787	1.2
170.04953	3.1
170.99652	2.3
171.03281	3.4
171.11362	2.0
172.94345	3.1
173.02959	2.5
173.12871	14.4
175.04510	1.5
176.05914	1.6
177.00764	1.6
177.04257	1.2
185.01233	2.1
185.12840	1.8
188.00989	3.3
188.05974	3.2
189.00784	5.1
189.04402	7.1
190.95406	2.2
191.03951	4.4
200.01067	2.0
200.04448	11.2
201.00766	1.5
201.12349	6.1
206.02107	1.2
206.07019	12.5
207.01776	4.0
207.05418	2.9
213.00644	1.5
216.00563	3.5
218.02054	1.8
219.01796	2.7
222.05260	1.6
223.53856	1.1
224.08043	10.2
230.07033	32.1
231.01759	3.0
231.05388	1.1
237.02928	2.1
248.03137	3.2
248.08089	61.0
248.99239	4.5
249.02373	4.9
258.04916	3.0
260.06976	2.1
266.09186	3.6
267.00116	1.8
267.05603	9.8
272.16147	1.2
276.05966	2.9
290.09497	1.8
290.16782	1.6
291.03873	3.4
291.09302	1.4
304.03845	2.1
308.05511	1.5
308.09042	2.5
309.04968	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
50.69577	1.3
51.02377	1.7
53.03936	2.7
55.05512	22.3
57.03426	2.4
57.07074	10.0
59.04989	3.0
65.03933	2.6
67.05511	40.1
69.03429	3.4
69.07072	63.9
69.85762	7.9
70.06570	2.2
71.04976	4.4
71.08615	2.5
79.05497	26.0
81.07061	96.9
83.04979	9.6
83.08630	16.4
85.06541	7.6
88.07647	2.5
91.05484	17.0
93.03408	3.3
93.07050	70.3
95.04962	8.9
95.08610	90.0
97.06545	23.2
97.10186	9.0
98.20821	1.8
99.08079	3.1
103.05382	1.8
103.70750	1.6
105.06388	2.8
105.07039	31.3
107.04950	7.2
107.08600	82.9
109.06488	4.1
109.07175	1.7
109.10164	79.2
111.04445	5.7
111.08073	8.5
111.11716	4.4
113.09628	2.1
117.06995	3.0
117.75600	1.8
119.08585	37.8
121.06499	3.0
121.10149	52.3
123.04434	8.3
123.08062	2.9
123.11706	39.1
125.09617	6.3
127.03944	7.3
127.11224	8.9
130.07831	1.7
131.08568	10.7
132.26210	1.5
133.10132	31.3
135.04442	17.1
135.08026	2.3
135.10698	3.2
135.11700	44.1
135.12717	2.5
137.09634	2.7
137.13239	9.9
139.03888	8.6
139.11224	8.5
145.10141	14.2
147.11694	22.0
149.05904	1.7
149.13277	25.0
151.03897	4.4
151.11177	6.1
151.14769	3.8
153.12756	53.8
157.10112	4.7
159.08105	3.1
159.11720	16.6
160.12389	1.5
161.13281	23.0
163.03937	2.2
163.11292	1.8
163.14841	26.8
165.12781	3.0
171.11548	1.8
173.13260	11.4
175.14850	21.4
177.09160	1.8
177.16399	11.8
179.14247	3.6
183.11674	2.1
187.14883	8.2
189.16377	12.7
191.17906	9.9
197.06100	2.1
201.16415	9.6
203.08556	3.8
203.17964	4.3
205.15852	2.1
215.17970	20.3
217.19630	1.8
229.19572	2.8
231.21158	2.6
233.19040	2.4
246.06702	4.8
271.17059	1.8
271.24222	49.5
289.08688	20.3
289.14804	3.2
289.18018	15.2
289.21793	4.6
289.25262	100.0
289.29114	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	289.2162
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
55.05310	2.7
55.05517	32.2
57.07061	4.3
59.05005	70.5
67.05507	10.7
69.07070	12.0
71.40835	2.7
71.53001	3.5
79.05485	8.4
81.07059	14.6
83.08619	4.5
85.06548	94.9
91.05502	14.7
93.07045	32.4
93.43360	2.8
95.04954	7.2
95.08620	32.6
99.08086	22.8
105.07035	18.9
106.33189	3.7
107.08599	13.4
109.10138	6.5
111.08091	8.1
117.07037	6.0
119.08611	22.0
121.10107	5.0
125.09635	28.9
127.03860	4.5
129.06961	4.0
131.08568	26.9
133.10181	19.4
135.08049	3.4
139.11162	4.6
142.07823	8.3
143.08583	8.4
144.09271	3.7
145.10150	17.7
147.11688	6.1
149.09717	3.8
151.11124	3.5
155.08528	4.8
156.09352	8.9
157.10132	28.0
158.10890	10.2
159.11703	23.9
168.09361	5.0
169.10127	10.4
171.11707	10.6
173.13287	42.0
181.10077	6.2
183.11700	29.2
184.12469	5.0
185.13278	3.5
187.11189	3.4
189.12704	4.5
195.11705	5.3
196.12523	4.6
197.13330	16.8
198.14040	4.3
199.14813	9.7
201.12704	10.5
209.13315	4.9
213.16344	7.4
215.14323	7.3
217.15862	9.6
233.15384	4.1
239.17989	21.2
257.19012	16.5
259.17029	6.8
271.20621	11.7
274.19147	4.8
289.21628	100.0
289.24976	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2529
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03952	3.3
55.01866	1.7
55.05515	20.2
55.55107	1.4
57.03439	1.6
57.07079	7.6
59.04998	7.9
60.61639	1.7
65.03937	3.6
67.05508	20.8
69.03438	3.2
69.07074	100.0
69.31470	4.8
69.31886	6.8
71.04984	4.3
71.08636	2.0
73.06583	1.5
79.05496	27.2
81.07062	81.7
83.04997	10.4
83.08623	10.3
85.06543	5.4
85.19112	1.6
91.05488	15.3
93.03394	2.4
93.07053	61.2
95.04987	3.6
95.08614	36.1
97.06539	19.4
97.10184	3.0
99.08104	2.0
105.07037	20.0
107.04953	1.5
107.08600	68.1
109.06567	4.2
109.10168	34.9
111.04462	5.2
111.08090	5.4
111.11729	16.0
117.07018	3.5
119.08596	22.9
121.06528	3.8
121.10146	21.6
123.04434	11.4
123.08121	2.1
123.11704	13.0
125.09652	3.9
127.03915	7.5
127.11185	2.4
130.15834	1.5
131.08588	5.7
133.10135	16.3
135.04422	18.6
135.11705	52.6
137.09654	1.9
137.13283	2.2
139.03920	7.5
139.11189	8.7
145.10121	9.1
147.11714	13.5
149.13272	15.9
151.03917	4.9
151.11121	2.3
153.12755	80.3
157.10001	1.9
159.11716	10.4
161.09740	1.8
161.13264	6.2
163.14835	8.5
165.12801	1.5
173.09523	1.6
173.13290	4.2
175.14894	3.2
177.16415	1.8
179.14304	1.6
187.14879	4.2
189.16405	6.6
191.17892	2.2
201.16345	4.7
203.17912	3.6
215.17899	6.3
229.19696	2.2
271.24261	14.5
289.08759	7.8
289.18015	20.0
289.21637	15.2
289.25278	40.1
289.29007	3.1
290.20987	3.4
296.10440	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1801
Annotation	Nocarasin B
Peak:m/z	Relative Intensity
52.15521	1.3
53.03938	3.1
55.05510	3.4
57.07060	2.3
67.05495	3.0
69.07078	8.9
71.53072	2.7
71.53432	2.0
79.05076	2.3
79.05505	38.6
81.07064	5.6
83.08609	2.8
91.05489	7.8
93.07059	12.5
95.04980	4.2
95.08598	3.2
105.07044	3.1
106.48771	2.0
107.04968	36.8
107.06078	1.6
107.08609	7.0
109.10151	2.5
115.05448	2.7
121.10172	1.8
123.04397	1.8
124.05222	6.3
125.05974	1.6
127.03944	4.1
128.06239	2.8
129.07018	4.0
131.04913	2.2
133.06544	2.1
135.11717	7.9
137.05991	7.4
140.04735	2.3
141.07005	9.7
143.08600	1.8
144.05687	3.6
145.06494	6.2
152.04742	3.7
153.05557	3.1
153.07008	2.7
154.07744	1.6
155.07153	1.8
155.08585	2.9
157.06506	1.5
158.07288	2.4
159.08064	5.7
161.06015	5.3
163.07555	2.1
165.05585	1.6
167.07069	100.0
169.06522	4.5
172.05173	2.3
173.06084	3.7
173.09647	4.9
175.07571	7.1
181.08607	4.0
183.08046	4.9
186.08217	1.4
187.07521	11.6
189.09218	2.1
193.08609	1.8
197.13235	2.7
200.08461	1.7
201.09137	22.4
205.08621	8.3
215.10831	2.2
219.10188	3.0
225.12813	3.3
229.15945	1.5
233.11742	8.3
237.02399	1.6
257.15372	30.7
289.12772	2.1
289.18015	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05499	1.4
53.03944	2.3
55.01884	1.9
55.05509	3.0
57.26609	1.5
67.05503	10.3
68.99823	1.5
69.03404	2.0
69.07059	5.9
71.04994	5.6
71.52325	2.9
79.05507	13.1
81.03424	2.2
81.07063	21.2
83.04965	4.2
83.08650	1.9
84.04494	3.3
85.06531	4.9
86.09743	1.5
91.05482	7.3
92.94803	1.6
93.03394	4.2
93.07050	32.3
93.61716	1.4
95.04951	7.0
95.08611	12.9
97.06532	15.0
98.97593	3.7
99.04451	3.8
105.07034	14.0
107.04926	4.8
107.08595	15.0
109.06515	10.9
109.10181	3.2
111.04456	8.3
111.08083	9.4
115.07571	1.9
119.08592	11.6
121.02900	2.0
121.06519	42.9
121.10136	10.3
123.04444	12.1
123.08091	2.8
123.11659	3.8
125.05991	4.1
127.03922	5.9
127.07537	5.7
129.07002	3.4
131.08571	4.3
133.02882	1.9
133.06474	2.9
133.10124	9.4
135.04428	26.5
135.08060	6.7
137.04959	1.7
139.03905	16.9
139.07526	9.9
143.08597	2.1
145.10130	4.5
147.11691	19.9
149.05936	1.6
149.09622	2.5
149.13290	2.6
151.03900	7.4
151.07480	1.4
153.01785	9.7
155.02269	3.0
157.08601	9.8
157.10120	8.1
161.13234	4.4
163.02750	1.9
163.03911	10.3
165.12790	9.9
167.10710	1.9
169.12251	4.7
171.11679	5.3
173.09627	1.7
175.11185	15.2
181.10114	1.7
185.13303	1.9
189.12750	9.6
193.12267	13.7
199.11182	10.7
207.13800	6.5
211.13315	14.3
217.12257	44.5
229.14272	1.9
235.13293	43.0
237.88586	1.7
239.94012	1.5
246.06721	1.7
253.14307	19.4
261.07397	2.3
271.10779	3.8
289.06067	100.0
289.11395	2.4
302.95270	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1549
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
53.03940	0.5
55.05508	1.0
56.57917	0.4
57.03425	0.4
57.07076	1.0
65.03934	1.0
67.05500	1.3
69.07058	1.4
73.55952	0.5
78.09704	0.5
79.05505	2.3
80.05033	0.4
81.05811	0.4
81.07067	2.7
83.08646	0.6
84.04477	0.7
85.06564	0.4
91.05485	4.3
93.03409	1.4
93.07037	2.1
94.06580	1.5
95.04974	0.8
95.08599	1.8
96.08131	2.3
97.06562	0.6
97.10226	0.5
98.21500	1.4
103.05496	0.5
103.11036	0.4
104.04995	0.7
105.07039	1.0
106.06577	1.9
107.04973	0.8
107.08602	1.5
108.08149	0.7
109.06547	0.5
109.10174	1.6
111.04442	2.6
116.04993	0.9
117.05748	1.2
117.07044	0.6
118.06549	5.7
119.07314	0.8
119.08610	1.2
120.08117	15.7
121.02852	1.2
121.06496	0.5
121.10146	0.8
122.09674	1.0
123.04441	4.5
123.11689	0.9
124.07597	10.1
126.09179	0.9
127.03932	1.7
129.07051	0.6
131.08572	0.7
133.05162	0.6
133.10147	1.1
134.06024	6.6
135.04427	8.1
135.08047	0.7
135.11699	0.5
136.07590	5.2
138.05518	2.3
139.03903	4.5
145.10144	0.7
146.05992	8.7
147.06822	2.7
147.07846	0.5
147.11632	0.5
148.07593	11.0
149.02362	0.7
149.05975	0.4
149.13283	0.6
150.09152	1.7
151.03920	1.8
152.07127	1.2
153.01723	0.5
154.45396	0.5
159.08066	1.5
159.11711	0.4
163.03899	1.2
164.07077	100.0
165.07829	1.3
166.08669	3.6
172.11255	0.6
193.08546	0.6
200.10701	0.8
214.11160	0.8
215.11897	0.5
215.15541	2.3
216.10207	2.2
226.12376	0.4
228.10364	0.5
229.13425	1.2
236.10014	0.5
239.32466	0.4
243.14969	7.3
245.16486	2.5
253.13411	1.6
254.11720	1.1
259.05914	0.6
261.07486	1.0
271.05997	0.9
271.14429	24.0
289.09033	2.3
289.15475	90.4
289.25104	1.4
290.09412	0.4
290.15808	0.9
312.06131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
55.05518	0.8
56.05042	3.1
57.07076	9.4
58.06601	0.9
60.04540	0.7
65.03937	3.1
67.05515	1.3
68.99802	1.3
69.03457	0.5
69.07072	0.9
70.06592	1.9
70.37947	0.7
70.38286	1.0
71.04993	1.1
72.08167	0.8
74.06081	1.0
74.09721	26.3
77.81557	0.4
79.05497	1.4
79.05970	0.4
81.03419	1.2
81.07060	1.2
83.04990	1.3
83.06113	1.5
84.04507	73.4
84.07673	0.4
84.08144	7.8
85.02924	1.7
86.09697	1.4
87.00832	1.5
87.04472	0.6
87.10015	0.5
89.03908	1.1
93.03413	4.3
93.07056	1.3
95.04974	2.1
95.08618	1.0
97.02914	0.9
97.06479	0.5
102.05550	1.9
103.05497	0.9
105.03381	0.6
105.07052	0.7
107.04948	2.8
109.02909	0.8
111.04449	9.8
116.07104	0.6
117.03393	0.8
119.08636	0.4
121.02838	0.7
121.10166	2.4
123.04438	22.2
124.03968	1.4
127.03918	6.0
128.10696	0.7
129.10257	0.7
130.05009	25.1
130.06552	2.2
130.08638	0.8
131.04945	1.6
135.04419	38.2
137.02356	1.3
139.03914	18.7
139.11272	0.8
139.12314	3.3
140.10704	100.0
141.06850	0.6
142.04985	1.1
146.06007	0.8
149.02361	4.2
149.05984	0.8
149.09584	0.8
151.03918	10.5
151.05046	0.5
152.03444	8.0
152.04588	1.0
157.07642	3.9
157.12282	0.7
157.13367	12.0
158.06073	2.3
159.04427	1.0
163.03888	7.7
167.10802	0.8
170.04469	0.7
173.05977	0.8
177.05476	0.8
179.03391	1.5
181.06342	0.5
183.11307	1.4
185.05914	0.8
185.12927	5.2
186.11215	3.3
186.99120	0.5
187.03964	0.6
197.06012	1.1
198.03961	6.5
199.14464	1.0
201.05447	0.7
203.08264	3.0
203.13899	2.7
205.04958	0.8
208.16922	1.1
213.05424	1.2
215.06989	0.6
225.05228	0.6
225.12318	2.2
227.13902	0.8
229.04913	0.9
229.11855	1.0
231.06519	3.0
243.06612	1.6
243.13414	24.4
245.09349	0.8
253.11790	1.9
257.24442	0.5
259.06021	5.2
261.07632	3.7
271.05975	3.7
271.09906	0.6
271.10733	0.4
271.12885	10.6
271.20172	1.9
289.06357	11.5
289.13940	14.2
289.18402	0.8
289.21091	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1435
Annotation	Avicenol C
Peak:m/z	Relative Intensity
55.01842	1.1
57.07053	0.7
57.44699	0.4
67.05476	1.0
69.03404	0.5
69.07047	0.6
70.65400	1.3
71.88570	0.4
79.05475	0.8
81.07051	0.8
93.07032	0.7
95.08602	0.9
103.05472	0.5
105.07026	1.2
107.08555	0.5
112.61063	0.5
121.06472	0.7
123.04401	1.1
127.03875	1.4
128.06236	0.6
129.07001	0.9
131.04918	0.7
133.06435	1.2
135.04367	1.2
139.03877	0.9
141.06960	3.7
142.07689	0.5
145.06555	0.5
151.07542	4.4
152.06113	0.9
153.07047	4.2
154.07756	1.1
155.08556	3.8
157.06535	3.0
165.06982	6.1
166.07774	6.1
167.07292	0.6
167.08594	3.5
168.09343	5.8
169.06482	5.4
169.10103	1.9
178.07762	6.5
179.08556	7.2
180.09372	1.0
181.05080	0.7
181.06505	14.7
181.10133	17.5
182.07294	13.2
182.10922	1.4
183.08096	5.1
183.09599	0.7
183.10156	0.6
183.11702	5.7
185.09738	0.6
187.07529	0.8
191.08464	0.7
192.09306	0.7
193.06470	0.7
193.08395	1.0
193.10144	16.3
194.07272	1.8
195.08064	7.3
196.08852	28.2
197.06003	0.9
197.09689	2.4
198.06706	0.9
199.07472	0.7
206.07358	0.7
209.05911	0.8
209.09613	4.2
210.06798	0.7
210.10437	4.3
211.11192	35.0
212.08301	1.0
213.09102	1.2
215.10641	0.7
217.08504	0.6
221.09604	1.1
223.07562	0.9
224.08382	3.5
225.09180	2.5
226.09885	0.8
227.07111	3.5
227.10736	4.2
229.12288	2.0
231.08095	0.7
238.09895	2.4
239.10684	30.0
240.11400	1.6
241.08582	4.4
242.09378	2.3
243.10143	0.7
256.10959	6.2
257.11728	8.2
259.08612	0.6
261.14981	0.7
267.12311	0.5
271.13303	100.0
289.09106	1.8
289.14371	31.5
289.17880	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0709
Annotation	5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
50.53999	0.4
51.27093	0.5
65.03957	0.8
67.01866	2.8
67.05499	0.9
68.99791	2.4
69.03434	1.9
69.07056	1.0
69.58187	3.0
79.05482	1.9
81.03405	0.9
81.07052	1.9
83.08602	0.8
89.03920	4.2
91.05494	1.2
92.81214	0.5
93.03399	2.0
93.07050	1.6
95.04975	0.9
95.08605	1.2
97.02901	1.6
98.20801	0.6
105.07050	1.0
106.06605	0.6
107.04952	2.7
107.08604	1.1
109.02916	0.6
109.06490	1.1
109.10146	1.1
111.00822	4.0
111.04457	4.1
117.03393	6.6
118.06538	1.0
119.08549	0.8
120.08137	2.7
121.02869	1.8
121.10108	0.8
123.04443	8.3
123.11684	0.6
124.07610	1.4
127.03893	2.3
131.08577	0.7
133.10089	0.8
134.06007	1.1
135.04428	20.7
136.07565	1.1
137.05992	0.8
139.03911	4.1
145.02850	10.5
145.06517	0.5
145.10136	0.9
146.06000	1.2
148.07567	2.1
149.05981	0.6
149.09694	0.5
151.03937	2.4
153.01840	100.0
154.02222	0.9
157.10135	0.5
159.04448	1.4
159.11728	0.6
163.03918	62.6
164.04204	0.5
164.07088	17.5
166.08681	0.7
171.02902	3.9
179.03400	5.2
187.03976	1.3
203.08562	0.7
205.05013	1.3
229.05077	0.7
231.08264	0.8
243.15005	0.9
247.06071	0.9
253.04878	0.6
271.05966	2.9
271.10989	0.5
271.14383	3.4
271.17026	0.7
289.07047	92.8
289.15393	13.0
289.18085	1.2
289.25394	1.2
290.07294	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0709
Annotation	Neoplathymenin
Peak:m/z	Relative Intensity
51.02376	1.0
51.56744	0.4
53.03940	1.4
55.01864	2.0
55.05504	0.7
56.05024	0.4
56.96562	2.0
57.07056	0.5
60.04503	0.5
64.29893	0.4
65.03945	3.3
67.05503	3.3
68.99786	3.2
69.03426	1.1
69.07073	1.0
70.06586	2.0
70.66619	0.4
71.04974	0.7
71.52057	0.5
72.08150	1.3
77.03926	1.5
78.23288	0.5
79.05494	1.8
81.03410	1.7
81.07051	1.8
83.01331	1.0
83.04966	0.8
84.04515	1.2
84.08141	1.7
84.96046	0.9
85.02902	1.7
85.06554	0.9
86.09718	1.5
89.03930	2.6
89.30070	0.4
91.05504	2.3
93.03394	3.7
93.07048	1.4
95.04974	5.3
95.08595	1.4
97.02905	1.2
98.97600	4.0
99.04428	0.6
103.05483	5.2
105.03402	2.4
105.07045	2.6
107.04964	6.9
107.08559	0.5
109.02902	0.8
109.06517	1.5
109.10133	0.8
110.97588	1.3
111.00816	1.1
111.03259	0.5
111.04461	10.5
115.05471	1.0
116.07115	0.7
116.98579	0.9
117.03382	4.0
117.07037	0.6
119.01900	0.6
119.04967	1.1
119.08585	0.7
120.08112	1.0
121.02860	1.5
121.06481	1.2
121.10223	0.6
123.04439	100.0
125.09669	0.6
127.03928	8.7
128.06226	0.8
128.98608	1.6
129.07063	1.0
129.10246	0.9
130.10681	0.6
130.12289	1.4
131.04938	9.8
131.08582	0.9
133.02878	1.1
133.06512	1.5
133.10109	0.5
135.04433	36.7
137.02382	0.9
137.06029	2.6
139.03914	32.6
141.06990	1.4
143.04880	0.4
145.02820	2.9
145.06474	0.8
146.99663	0.6
147.04445	1.5
149.02361	7.1
149.05974	1.5
151.03926	11.8
153.01834	3.6
153.05595	0.5
153.07118	0.6
155.04965	0.8
157.06586	0.9
158.99677	0.8
159.04486	2.0
160.05241	0.6
161.05983	3.2
161.09651	0.6
163.03922	24.3
163.07581	1.4
165.05585	0.6
167.03423	0.6
169.06503	1.7
173.06026	1.4
175.07538	0.7
177.05524	1.2
179.03380	1.4
185.06090	1.0
187.03856	4.1
187.07593	0.7
197.06001	3.3
201.05484	1.2
201.13852	0.7
205.05009	3.6
210.11671	0.6
213.05405	1.0
215.07037	6.5
219.01761	2.7
222.01956	0.6
225.05499	1.8
225.14014	0.6
229.05025	1.3
229.13432	2.2
231.06558	1.8
237.02803	2.6
237.99016	0.5
241.05077	0.7
243.06552	8.2
245.04443	1.4
253.04997	0.8
253.13437	1.6
259.05951	2.5
261.07678	2.3
271.06042	7.3
271.14413	1.5
280.07877	0.7
285.92322	0.5
289.07071	14.5
289.12186	0.8
289.15198	2.9
289.18161	1.7
308.16083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.8
54.91176	3.8
55.01878	5.6
56.96563	51.3
57.03433	8.9
60.79830	3.7
61.02922	7.9
61.06948	3.6
68.16930	3.8
69.03424	25.4
70.06600	29.7
71.05011	4.5
71.51215	5.8
72.08150	11.2
73.02919	12.6
74.06086	6.1
79.92883	3.7
81.03421	10.6
84.04475	3.6
84.08137	22.3
84.96029	11.7
85.02899	37.2
85.08465	6.0
86.09696	9.2
91.05461	6.9
97.02913	27.4
98.97581	100.0
99.04453	7.4
101.00885	27.2
109.02883	8.3
110.97581	33.0
112.99143	6.3
113.00870	7.2
115.02454	9.5
116.07060	7.6
116.98637	28.0
119.01929	31.9
119.04900	6.4
120.01992	3.8
122.83899	4.0
127.00694	4.8
127.03901	19.0
127.04944	5.2
128.98642	26.0
129.10239	8.1
130.93292	9.6
131.00218	6.9
131.01907	10.0
133.03481	10.0
134.99612	5.7
137.02960	5.0
137.05974	15.0
141.05502	5.2
143.00165	10.9
143.01917	10.3
145.01721	6.3
145.03531	6.8
145.05109	3.9
146.99617	9.5
147.04413	8.7
155.03018	4.3
158.99670	15.5
161.02931	25.4
163.02740	4.0
163.03949	8.0
168.99867	5.6
170.99605	8.1
172.94377	37.9
173.02997	7.3
174.99086	9.5
175.11916	4.1
177.00655	9.6
182.03369	6.3
187.00911	9.5
187.04536	6.4
189.00774	7.3
189.02412	5.6
190.95395	20.1
191.03958	11.0
193.00232	7.6
199.00922	8.5
200.04472	6.3
201.00751	6.8
201.02484	5.9
203.03883	3.9
207.01678	4.3
208.04976	14.9
215.00391	6.8
216.97006	18.0
217.01964	14.4
217.05530	10.6
219.01773	36.0
219.03642	5.6
221.05118	8.1
229.01952	5.8
229.05785	9.2
237.02766	28.3
246.05685	4.8
246.94304	4.8
246.98027	6.4
247.03146	21.1
247.06754	6.0
253.01988	5.8
260.95926	5.0
264.95581	5.8
264.99091	6.6
274.97421	5.8
280.07147	20.8
288.95435	8.0
289.03906	7.3
289.06717	51.6
289.20563	9.6
292.98471	5.6
297.31561	4.0
306.96503	15.7
307.07074	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	289.0709
Annotation	5,7,3',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
53.03954	0.3
55.01890	0.3
59.48563	0.2
63.02380	0.4
65.03941	0.5
67.01868	2.8
67.05516	0.5
68.99786	2.4
69.03429	1.5
69.07076	0.3
70.83391	0.6
72.04262	0.2
79.01852	0.3
79.05495	1.4
81.03381	0.3
81.07081	0.7
83.01344	0.6
85.02919	0.4
89.03925	4.2
91.05492	0.6
93.03398	1.4
93.07064	0.4
95.04963	0.5
95.08620	0.3
97.02922	1.2
107.04974	2.0
107.08638	0.5
109.02909	0.3
111.00810	3.0
111.04450	2.0
117.03391	8.3
119.04974	0.4
121.10178	0.3
123.04436	5.8
127.03941	1.1
127.72867	0.2
131.04938	0.5
135.04425	17.7
135.11670	0.3
137.02335	0.6
137.06009	0.8
139.03909	2.9
145.02859	11.4
145.04016	0.6
145.10104	0.4
147.04401	0.3
147.11754	0.3
149.06015	0.8
149.09494	0.3
151.03909	1.8
153.01842	100.0
159.04480	1.1
161.05963	0.8
161.13176	0.3
163.03920	63.3
164.04234	0.3
164.07111	0.7
171.02924	3.3
173.09692	0.3
174.30508	0.3
177.05507	0.4
178.60780	0.3
179.03418	6.1
181.63362	0.3
186.05530	0.3
187.03935	2.5
201.05414	0.3
203.08585	1.1
205.04999	1.2
223.05911	0.3
229.04996	0.6
231.08095	0.6
243.06557	0.3
246.06783	0.5
247.06021	0.7
253.04933	0.5
261.09198	0.5
271.06024	2.0
271.16989	0.5
289.07056	90.1
290.07242	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.05519	10.1
57.07085	6.8
58.06599	2.0
60.57047	1.0
65.03954	3.3
65.56033	1.0
66.04728	5.9
67.05511	58.7
68.06295	34.1
69.03419	4.2
69.07072	19.1
69.88148	1.1
70.06603	1.9
70.07858	1.5
70.60281	3.1
71.08637	95.2
72.04509	4.3
79.05502	46.1
81.07063	100.0
82.06583	4.9
83.08591	1.2
84.04500	3.0
86.06062	5.1
86.09711	5.0
88.02185	1.4
88.07635	1.1
88.11275	10.6
91.05492	56.5
93.07051	13.4
95.04982	12.1
95.08614	86.7
96.04486	8.2
96.08128	2.2
97.05304	1.9
97.10160	5.7
98.06087	1.5
105.07035	34.2
106.08708	1.2
107.04951	2.3
107.08609	19.0
108.76912	1.1
109.06549	1.6
109.10182	7.3
110.06048	20.8
111.06812	1.1
112.07618	6.3
112.84994	1.1
114.09179	6.5
116.10749	2.1
117.07027	14.0
119.08598	22.9
120.05698	1.2
121.06527	1.7
121.10132	2.8
124.07629	5.8
125.08400	4.5
129.06984	1.6
131.04924	1.8
131.08592	16.7
133.06491	1.7
133.10141	64.9
135.06743	1.9
135.11676	1.4
137.13264	80.8
142.12268	9.3
145.06499	4.8
145.10132	4.7
146.06987	1.1
147.08047	1.3
147.11717	5.5
152.07103	5.0
152.10677	1.6
152.14371	2.3
154.93997	1.2
155.08591	2.1
156.13866	7.3
157.10135	2.8
159.08028	1.8
159.11682	8.1
162.91441	1.3
164.07089	3.7
166.12280	22.4
168.13882	1.3
173.13297	15.6
175.14818	17.5
178.08664	3.9
180.13861	18.6
181.14621	39.5
183.11711	2.1
192.10185	3.0
194.15437	1.9
201.12781	7.1
208.16908	1.7
218.15529	1.5
227.12015	1.1
232.16968	1.1
255.17464	1.9
267.55612	1.2
288.05972	2.6
288.19632	31.5
288.23236	65.2
288.28760	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	289.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23454	2.9
50.61227	3.2
54.71754	3.0
56.96577	7.4
59.25426	3.8
68.20408	2.9
68.73511	3.3
69.32244	3.3
70.06583	23.0
71.06907	4.6
71.20761	5.1
73.02922	3.3
77.64269	2.8
82.99842	11.5
83.99815	3.1
84.08141	15.7
85.02919	7.3
85.08475	4.6
97.01406	9.5
98.97577	8.1
101.00890	79.1
113.00878	4.6
115.02434	31.0
116.07105	11.1
117.03954	3.7
119.01942	100.0
124.02474	3.3
127.03860	13.7
127.04911	4.5
129.03979	10.3
130.08621	6.1
131.01941	19.8
133.03467	35.9
137.02962	11.0
143.01918	21.4
144.99840	8.8
145.03500	7.2
147.05011	6.3
149.02950	4.1
156.05130	4.0
161.02977	40.1
168.99860	15.0
171.01425	11.7
173.02977	19.4
175.06206	9.8
185.02792	3.8
187.00900	36.4
189.02521	11.7
190.04042	4.3
191.04059	10.8
193.07364	3.8
196.99368	10.9
199.00911	12.4
199.06343	9.1
201.02431	9.4
205.01973	14.2
208.05095	4.1
213.02213	3.5
215.00383	46.7
217.01953	14.5
219.03566	13.1
221.05034	4.1
229.02007	19.4
229.07542	4.9
247.03065	47.5
247.08435	7.7
265.03995	6.4
271.03168	9.4
271.11349	7.7
277.04175	4.3
289.04013	11.6
289.06940	50.4
289.14798	3.9
307.05219	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	288.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.05505	3.5
57.07077	4.9
60.61205	0.9
63.59479	0.7
67.05509	10.1
69.07063	3.6
69.56126	0.8
70.10262	3.3
79.05500	7.6
81.07063	86.7
85.30773	0.9
91.05470	1.4
93.07049	1.3
95.08615	69.6
97.10159	5.7
109.10166	4.2
116.39698	0.8
117.05734	0.9
134.06030	0.9
134.07210	0.9
135.06828	1.9
137.13268	100.0
146.06029	0.9
147.06789	1.7
152.07106	4.7
158.19702	0.8
164.07082	4.3
178.08636	4.9
192.10207	5.0
199.11282	0.9
204.10143	1.3
220.08359	0.8
255.17436	1.3
288.19601	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2324
Annotation	Procyclidine
Peak:m/z	Relative Intensity
52.44715	0.3
55.01878	6.4
55.05517	2.1
55.27671	0.3
56.96550	0.7
57.07080	5.6
58.06599	0.5
67.05503	4.7
69.03412	0.4
69.07069	5.4
70.06569	0.4
70.07397	0.6
71.09776	0.5
71.10112	0.3
72.04152	0.6
72.04518	7.4
72.08129	0.4
74.09718	1.7
79.05492	0.8
81.07050	1.5
83.04964	0.3
83.08149	0.4
83.08624	5.7
86.06053	0.4
86.09673	0.5
91.05486	42.5
93.07039	1.2
95.08617	4.3
98.06026	0.6
104.10741	1.0
105.07036	8.5
106.08632	0.3
107.08571	0.5
109.10164	2.7
112.99155	0.5
115.05436	0.9
117.06231	0.7
117.07028	11.7
118.27887	0.4
119.08575	1.1
128.10712	0.7
129.06992	3.8
129.52502	0.4
130.07346	0.6
131.00185	0.4
131.08575	8.2
132.08932	0.8
136.93100	0.6
138.53009	0.5
141.07011	2.7
143.08569	0.8
145.10133	0.6
154.94160	0.6
155.08606	2.0
156.08900	0.4
157.06422	0.4
157.53767	1.5
158.07069	0.6
159.07928	0.6
160.08405	1.0
169.10127	0.6
170.06918	0.5
171.11652	0.4
174.06772	1.1
175.07152	1.5
184.07195	0.5
187.07079	0.6
189.09053	1.2
190.09444	2.1
197.13342	0.7
201.08948	0.6
202.09450	2.2
215.14095	0.5
219.10138	2.1
220.10527	4.7
231.10147	0.6
232.10509	1.1
232.17049	2.0
258.64346	0.5
267.64740	0.4
276.65244	0.6
288.05850	1.3
288.16776	7.1
288.23218	100.0
288.48886	0.4
289.08582	0.8
289.23511	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14976	1.1
53.03946	1.5
54.03343	1.1
55.05501	4.1
55.80111	1.4
57.07075	3.2
60.45367	1.1
61.57676	1.3
61.67761	1.1
62.11723	1.2
62.97266	1.1
65.03931	1.7
66.03205	1.1
67.05514	17.0
69.07082	8.2
70.06598	2.1
71.08633	18.2
71.53517	1.4
72.04501	1.4
76.53460	1.1
79.05495	12.8
81.07060	17.8
84.04499	1.3
86.09707	1.9
88.07653	1.6
88.11275	10.1
91.05491	33.0
93.07056	14.7
95.04975	2.1
95.08157	1.2
95.08630	12.9
97.69883	1.1
105.07048	18.6
106.08670	3.0
107.04983	2.5
107.08584	6.4
109.06439	1.4
109.10156	7.1
111.81370	1.4
114.09200	2.3
117.07025	25.2
119.08602	25.8
121.10141	2.0
129.07018	2.8
131.08583	18.1
133.10150	21.3
145.06500	2.6
145.10121	4.2
147.11685	6.7
152.10638	1.3
159.11713	11.2
173.13281	9.1
175.14848	24.0
194.15492	2.8
201.12741	7.4
206.15521	1.4
208.17026	1.8
218.15294	1.8
288.05872	6.7
288.23233	100.0
288.28940	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	288.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32591	0.4
53.03963	1.1
56.05040	7.4
57.03435	1.5
58.06611	3.5
69.03433	0.9
69.07094	1.1
69.78709	1.1
69.79124	1.8
70.06604	4.8
71.05003	0.6
72.08167	1.4
74.06089	100.0
81.03429	5.6
84.04519	5.7
84.08139	1.2
85.02908	0.9
85.85049	0.5
86.06088	1.5
86.09716	5.1
91.05481	0.5
97.02904	2.3
98.06067	17.0
98.21497	0.6
102.05574	4.8
102.06207	0.7
109.02891	18.3
111.04476	0.6
112.08743	0.8
114.05517	2.3
116.07104	45.6
117.03403	0.5
120.06590	12.2
123.04475	1.5
127.03920	1.8
135.04401	1.2
137.02362	1.4
138.02713	1.4
139.03893	0.5
144.06573	32.4
145.02901	0.9
145.05032	1.3
150.07124	0.5
159.90654	0.5
162.07614	2.4
163.03865	0.5
173.29062	0.5
175.11969	1.0
177.05528	1.9
182.08133	0.8
186.06406	0.6
204.63608	0.4
213.05530	0.6
214.05827	2.1
228.08673	2.5
232.06950	1.1
240.08691	2.3
242.05334	1.1
246.09860	2.6
270.04941	0.6
270.09775	9.3
288.05872	55.1
288.10452	2.9
288.20212	1.5
289.06354	0.5
295.27280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96289	1.5
53.03951	2.0
55.05512	7.0
57.07082	11.1
65.03957	2.1
67.05513	34.6
68.06020	1.4
68.06297	16.9
69.07076	16.7
69.94117	3.0
69.94514	4.2
70.06593	2.2
71.08362	1.3
71.08643	15.3
72.08139	1.5
78.28455	1.6
79.05077	1.9
79.05502	28.4
81.07066	100.0
82.06577	2.6
88.07592	1.9
88.11253	2.6
89.03905	1.8
91.05499	20.9
93.07055	9.5
95.04956	4.7
95.08619	79.2
96.04504	2.4
96.08152	1.6
97.10159	4.1
105.07056	13.2
106.08675	4.9
107.04958	6.0
107.08613	15.3
109.06582	1.7
109.10136	5.9
110.06043	5.6
114.09170	6.5
117.07021	5.0
119.04997	3.2
119.06035	2.3
119.08602	10.0
121.06497	3.2
121.10145	2.1
124.07593	2.0
125.08367	3.3
125.29767	1.5
127.41474	1.6
129.07004	2.0
131.08589	7.2
133.06516	10.3
133.10146	18.2
135.06914	3.2
135.08064	7.8
135.11678	2.4
136.64027	1.6
137.13274	58.8
145.06490	4.2
145.10089	3.3
147.08023	3.3
147.11708	4.5
149.53888	1.5
152.07059	6.7
156.13817	1.6
159.08080	5.7
159.11694	3.5
160.02391	1.6
161.09590	2.9
164.07065	2.2
166.12300	9.2
167.12938	1.5
173.01091	3.3
173.09669	3.6
173.13243	8.0
175.14847	6.9
178.08617	5.6
180.13776	8.3
181.14632	19.1
187.11194	6.8
189.16434	1.9
192.10161	2.5
194.15247	2.2
201.12740	4.2
203.14291	1.6
204.10165	3.7
240.95444	1.7
243.17473	62.9
249.37695	1.6
255.17543	2.3
288.05884	5.0
288.11380	2.8
288.19638	11.5
288.23236	27.6
288.28992	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	287.2008
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
53.03942	2.5
55.05519	9.5
56.43727	2.0
56.61264	1.7
56.91273	1.9
56.96595	2.2
57.07078	10.7
59.04996	4.4
63.00040	1.9
65.03947	3.3
67.05511	16.8
69.03439	5.3
69.07080	14.7
69.85685	6.2
71.04982	3.8
72.61292	2.1
76.43666	1.8
76.44112	1.9
79.05511	15.7
81.07062	24.6
83.04985	5.1
83.08629	4.3
85.06535	5.0
89.23183	1.8
91.05495	22.3
93.07053	21.0
95.04974	22.9
95.08624	21.1
97.00533	6.4
97.06548	19.1
99.08068	2.6
105.07040	26.2
107.04961	3.9
107.08614	27.6
109.06537	12.8
109.10162	15.1
111.08082	4.4
117.07031	10.9
119.07800	3.0
119.08595	30.7
120.09434	2.3
121.02924	2.7
121.06512	10.3
121.10153	24.3
123.08098	10.6
123.11706	5.3
125.09669	3.5
128.06236	5.7
129.07056	8.8
131.08592	23.4
133.06491	4.0
133.10152	17.1
134.10889	2.0
135.08069	7.2
135.11703	8.3
136.08884	2.5
137.03954	1.9
137.09627	4.9
141.06969	3.6
142.07779	7.8
143.08575	17.8
144.09363	4.6
145.06477	2.4
145.10139	25.2
147.08022	6.2
147.11720	10.5
149.06012	3.0
149.09668	15.5
149.13242	3.6
151.11194	5.6
153.01822	4.3
155.08539	6.2
156.09346	8.7
157.10162	23.1
158.10924	8.2
159.08113	3.8
159.11697	27.0
160.12509	2.0
161.09584	6.4
161.13280	7.1
165.07018	2.1
165.09140	7.7
169.10115	6.6
170.10986	8.9
171.11693	23.3
172.12453	5.3
173.09706	4.1
173.13293	32.1
175.01567	15.1
175.11189	7.5
175.14771	3.6
177.06792	12.1
177.12761	1.9
180.09328	3.8
181.10167	2.9
183.11652	4.0
184.12437	3.7
185.09576	3.8
185.13260	21.6
186.13966	3.6
187.11188	7.6
187.14854	13.5
189.12788	4.4
191.07021	5.1
191.14305	6.3
195.11678	8.0
196.12482	2.5
198.61125	2.3
199.11171	5.6
199.14848	7.6
201.12695	3.2
201.16446	2.3
203.14345	8.9
211.14833	8.2
213.12776	17.7
213.16437	4.2
217.15944	2.1
221.13081	2.2
225.16388	3.3
227.14258	5.5
227.17992	3.5
229.15910	6.3
231.07794	5.5
231.13774	14.4
235.04523	2.2
241.15814	3.0
241.19594	6.5
243.17314	1.8
251.17931	3.6
269.19037	55.0
269.22272	4.4
287.05505	64.9
287.08313	5.5
287.16504	7.4
287.20059	100.0
287.23196	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	288.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05513	0.7
56.05042	7.5
57.03434	1.4
58.06614	0.9
60.05650	0.6
69.03442	1.5
69.07074	0.6
69.26782	0.4
70.06599	7.3
71.05020	0.5
71.40380	0.4
71.52430	0.8
72.08166	5.8
72.93803	0.6
74.06087	100.0
79.05511	0.5
81.03429	4.3
82.06595	0.7
83.04996	1.0
84.04500	5.0
84.08154	1.4
85.02950	1.0
86.06078	0.9
86.09696	2.1
88.04025	0.4
90.94827	0.5
91.05505	1.0
97.02890	2.8
98.06069	11.6
98.97611	0.5
99.01788	0.4
102.05554	5.1
107.08605	0.5
109.02891	12.4
109.03600	0.9
112.08785	0.6
113.69527	0.4
116.07103	45.5
117.07016	0.5
120.06590	13.2
123.04449	0.9
127.03924	1.2
128.07077	4.3
130.06534	0.8
132.95798	0.5
135.04396	0.6
139.03891	0.5
143.11856	1.7
144.06573	32.3
145.04993	1.3
147.04475	1.6
158.97456	1.1
160.07597	1.3
162.07634	3.6
167.07097	1.1
171.11377	1.0
175.11990	1.6
176.98566	0.8
181.99002	0.6
182.08247	0.8
200.98386	1.0
221.83615	0.5
228.08755	2.9
228.97784	0.6
234.14857	0.5
240.08781	2.3
242.01241	0.7
246.09702	2.9
258.56616	0.5
263.60367	0.4
270.09726	9.1
270.12122	0.7
288.05881	5.3
288.10898	2.4
288.14081	1.9
288.17334	0.9
288.20297	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	287.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.2
53.03941	0.6
55.05515	1.9
56.96561	0.4
57.07069	1.1
58.06600	0.7
59.05013	0.3
67.05180	0.3
67.05518	3.2
67.23166	0.2
69.07075	1.9
69.64436	0.6
69.64825	0.9
71.04996	0.4
71.08611	0.4
79.05505	2.2
81.07066	12.0
83.08642	0.4
85.06550	1.3
91.05497	2.4
93.07050	0.8
95.08623	5.9
97.10152	0.4
98.21503	0.4
98.97588	1.1
99.08115	0.4
105.03386	1.7
105.07028	0.9
106.03716	0.5
107.08598	0.7
109.10168	0.9
111.11751	0.3
112.63112	0.3
115.05470	4.2
117.07028	13.9
119.08599	1.2
121.02847	0.3
121.06516	0.3
121.10173	0.4
128.06216	0.5
129.07001	0.7
131.04987	0.3
131.08592	0.5
132.05714	0.4
133.06529	2.0
134.06053	0.6
135.04433	0.3
135.06407	0.7
137.02362	0.4
137.06026	0.3
137.13272	1.1
143.08569	0.9
144.05679	0.3
145.06500	100.0
147.08061	12.8
147.09248	0.6
147.11642	0.3
151.07251	0.2
152.30016	0.3
153.01842	0.7
153.12804	0.4
157.06523	0.9
157.10115	0.4
159.08078	2.1
159.11734	0.3
161.09674	0.4
165.09193	0.4
166.09528	0.3
170.07312	0.3
170.45856	0.3
171.08118	1.2
173.09634	1.6
177.00729	0.3
177.06743	0.3
184.08673	0.3
184.82927	0.2
185.09634	2.5
187.11189	1.9
199.11162	1.3
201.12772	0.5
213.05540	0.3
213.12819	0.6
251.21924	0.4
259.05945	0.3
269.15381	0.4
269.19046	0.9
269.22968	0.4
286.96094	0.3
287.05521	9.9
287.08438	0.7
287.16785	0.3
287.20090	9.8
287.23349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.4
57.03437	0.5
57.07068	1.1
63.00056	0.5
66.07522	0.3
67.05514	2.6
68.99789	0.8
69.07076	2.7
70.65041	1.0
71.04972	0.7
71.08627	0.4
72.08160	0.5
77.16282	0.3
79.05508	2.6
81.03415	0.5
81.06587	0.7
81.07063	11.7
83.05000	0.4
83.08652	0.4
85.06580	1.6
91.05492	2.8
93.07029	2.5
95.08618	6.9
97.00488	0.4
97.02900	0.5
97.10179	0.7
99.08111	0.8
103.05491	0.4
103.28065	0.3
105.03398	0.8
105.07037	2.0
107.04944	0.5
107.08590	1.7
109.06513	0.6
109.10168	1.7
111.00793	0.4
115.05469	5.2
117.07029	13.1
119.08605	2.4
121.02879	0.8
121.06509	1.1
121.10152	1.1
123.11759	0.6
125.09639	0.4
128.06239	0.6
129.06993	1.0
131.04964	0.6
131.08586	1.0
133.06508	2.9
133.10150	0.8
135.04414	0.8
135.08105	0.6
135.11700	0.8
137.02373	0.4
137.05980	1.1
137.13283	0.7
142.07713	0.4
143.08559	0.9
145.06496	100.0
146.06958	0.4
147.04416	0.3
147.08054	13.9
147.11693	0.9
149.06026	0.4
149.13222	0.6
151.03865	0.4
151.07600	0.8
153.01859	2.7
155.08574	0.4
157.06508	1.3
157.10117	0.7
158.07301	0.4
159.08069	2.2
159.11644	0.6
161.09615	0.4
161.13316	0.6
163.03915	0.9
163.07570	0.5
169.10204	0.4
171.08098	2.1
171.11794	0.5
173.09633	2.8
175.03955	0.4
175.70152	0.3
177.06773	0.8
177.22060	0.4
183.08104	0.3
184.08757	0.3
185.05977	0.6
185.09573	3.0
185.13312	0.5
187.11211	1.8
189.09096	0.8
189.12805	0.3
191.07109	0.3
191.10721	0.9
199.11227	1.6
199.14882	0.4
201.12781	0.9
213.05544	0.7
213.12740	2.0
213.16208	0.4
226.06323	0.3
231.06540	0.5
241.04951	0.7
241.15919	0.4
269.04446	0.7
269.15366	0.8
269.19031	1.1
269.22729	0.7
272.06793	0.6
287.05530	32.6
287.16797	0.5
287.20166	10.6
287.23657	2.1
288.05859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04284	0.5
53.03954	0.7
55.05514	2.6
56.96563	0.6
57.07080	0.8
58.06592	1.0
67.05521	3.2
68.51122	0.6
68.99805	1.6
69.07088	3.1
70.06602	0.6
71.53206	0.6
72.08171	0.8
79.05498	3.3
81.07065	14.6
83.08639	0.8
85.06554	1.7
90.68745	0.6
91.05489	3.3
93.07051	2.2
95.04968	0.7
95.08619	6.9
99.08132	0.7
102.08468	0.5
105.03400	1.0
105.07033	2.2
106.58134	0.5
107.04962	1.4
107.08585	1.6
108.63505	0.6
109.02909	0.7
109.06551	0.6
109.10157	1.8
109.66282	0.5
111.00813	1.0
113.09534	0.5
115.05481	5.5
117.07034	14.7
117.74996	0.5
119.08605	1.9
121.02872	3.6
121.06496	1.3
121.10181	0.9
123.11739	1.2
128.06224	0.7
129.07008	1.2
131.08574	1.0
133.02748	0.6
133.06456	1.3
133.10178	1.3
135.04434	0.6
135.11685	0.7
137.02356	1.6
137.05975	1.1
137.13312	0.9
143.08588	1.1
144.05655	0.5
145.06503	100.0
145.10162	1.7
145.70529	0.5
146.94064	0.6
147.04402	0.8
147.08058	13.9
147.11674	1.3
147.89670	0.6
149.05998	0.9
153.01851	5.1
155.06042	0.8
157.06534	1.2
157.10240	1.0
159.08078	2.2
159.11714	1.7
161.05902	1.1
161.09688	0.7
163.07632	0.8
165.01825	1.3
171.08066	1.7
171.11603	0.7
173.09636	1.4
173.13364	0.6
177.06828	1.1
183.02904	0.7
185.06032	0.9
185.09668	3.5
187.07513	0.5
187.11189	1.7
198.07658	0.5
199.11252	1.7
201.12645	0.6
201.16476	1.2
203.07057	0.6
213.05473	2.2
231.06699	0.7
241.05147	0.9
259.05927	0.7
264.04602	0.6
269.15402	0.7
269.19049	0.7
269.22726	1.6
287.05539	70.8
287.08350	3.3
287.20117	12.5
287.23700	2.9
288.05933	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
54.25942	0.3
55.01865	0.7
55.34609	0.3
56.82083	0.3
57.03443	1.3
61.02937	2.2
63.04615	0.3
66.03458	1.1
69.03437	6.5
70.06593	1.3
70.81782	0.5
71.04980	0.8
72.08160	0.5
73.02929	1.3
74.00658	0.4
80.05023	4.1
81.03426	2.2
84.08169	0.9
85.02912	15.6
86.09681	0.5
87.04469	1.0
91.03931	1.1
95.06114	0.8
96.06880	1.0
97.02901	4.7
98.97578	0.3
99.04468	1.3
101.02399	0.4
103.03907	0.4
107.06100	4.3
109.02908	1.5
109.07674	0.8
110.07178	0.9
115.03929	0.4
116.07146	0.3
121.06505	0.4
121.07644	0.3
124.03955	1.0
124.04762	0.3
125.07126	100.0
126.07447	0.3
127.03931	3.1
135.04411	0.5
137.06013	0.7
145.04967	2.7
147.01123	0.3
148.04662	0.3
149.05876	0.4
163.03883	0.4
166.03256	0.3
167.07080	0.3
173.11478	0.3
185.06015	0.3
223.05223	0.4
245.04735	0.3
259.06290	0.4
287.05545	5.8
287.09143	0.5
287.12399	0.8
287.16721	0.3
303.13052	0.3
304.72684	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95033	0.2
55.01879	0.3
55.05515	2.3
56.96579	0.2
57.07075	1.1
65.03919	0.3
67.05179	0.3
67.05508	2.4
69.07075	2.5
69.15317	2.0
71.05011	0.3
71.08620	0.2
75.03233	0.2
79.05497	2.3
81.07060	11.2
83.04985	0.3
83.08623	0.6
85.06561	1.5
91.05482	2.3
93.07047	1.9
95.04983	0.5
95.08614	6.8
97.06542	0.4
97.10195	0.3
98.21516	0.6
99.08111	0.5
105.03414	0.3
105.07043	1.3
107.04940	0.3
107.08595	1.2
109.06567	0.3
109.10156	0.8
115.05460	4.4
116.06252	0.3
117.07025	14.3
119.08602	1.8
121.06499	0.4
121.10149	2.4
123.08077	0.4
123.11673	0.4
125.00003	0.3
126.27908	0.3
128.06175	0.4
129.07025	0.7
131.04945	0.4
131.08580	1.1
133.06499	1.0
133.10124	0.7
135.11694	0.7
137.13266	0.7
142.07787	0.4
143.08531	1.1
144.05737	0.3
144.09334	0.3
145.06491	100.0
147.08057	12.9
147.09256	0.4
147.09811	0.3
147.11703	0.3
149.09636	1.1
153.01886	0.3
155.08571	0.3
156.09171	0.3
157.06479	0.7
157.10179	1.0
159.08054	1.9
159.11679	0.7
161.09656	0.4
165.09077	0.6
169.10094	0.3
170.07318	0.3
171.08070	1.3
171.11726	0.7
173.09659	1.7
173.13264	0.7
175.11246	0.4
183.11661	0.3
184.08914	0.3
185.09601	2.7
185.13199	0.3
187.11157	1.6
187.14891	0.2
196.12576	0.2
199.11194	1.4
199.14853	0.7
201.12773	0.5
201.16528	0.3
211.14932	0.3
213.12788	0.9
213.16409	0.6
215.17931	0.3
225.16405	0.3
226.21655	1.2
241.19586	0.4
269.19022	1.5
287.05505	3.7
287.08527	0.4
287.16580	0.9
287.20053	14.0
293.03412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1126
Annotation	Orcinol glucoside
Peak:m/z	Relative Intensity
53.03936	0.9
55.01882	2.3
55.02088	0.4
57.03425	1.7
58.06600	0.7
61.02910	1.6
65.03946	0.5
67.05495	1.2
68.99793	1.7
69.03435	2.6
69.07079	0.6
69.64511	2.8
70.06595	3.1
71.04962	0.8
72.08131	0.9
73.02898	0.9
74.06078	0.5
77.04592	0.5
78.44410	0.4
79.05492	1.8
80.26728	0.5
81.03406	1.4
81.07049	1.3
84.04501	1.0
84.08140	1.3
85.02907	12.6
86.09696	0.9
87.04488	0.6
91.03922	0.6
91.05505	2.7
93.07066	3.6
95.04977	1.9
95.08603	0.6
97.02900	4.3
97.06541	0.5
99.04440	0.8
103.03961	2.6
103.05474	0.7
105.07027	1.0
107.04944	1.7
107.08609	1.4
109.02884	2.6
109.06527	1.1
110.07163	0.6
111.00828	0.9
113.05991	0.5
115.05423	1.1
115.08690	1.7
116.07079	1.9
117.07014	1.3
119.08566	0.6
121.02877	0.9
121.06512	24.5
121.10152	0.5
123.04446	1.5
125.06004	10.9
127.03932	1.5
128.06142	0.6
129.06996	1.4
130.08665	0.5
131.04912	0.5
131.08603	1.0
135.08058	3.7
137.02394	4.6
137.05984	50.1
139.03958	0.8
141.07019	0.6
144.05722	0.6
145.04985	1.1
145.06454	1.4
147.04424	1.3
147.08025	0.9
149.02382	0.8
149.05992	39.9
149.09578	0.9
151.03928	0.7
151.07500	0.7
153.01866	0.8
153.05463	0.8
157.06499	1.1
159.08072	1.2
161.05988	6.4
163.03946	1.0
163.07602	2.3
165.05507	1.9
167.07047	26.2
169.06653	0.5
171.04243	0.5
173.06003	1.0
175.03955	0.6
175.07527	0.8
175.10768	0.6
177.05461	0.7
177.09056	0.6
178.91537	0.5
179.07040	0.5
184.93210	0.4
185.05984	2.0
187.07512	2.5
189.05530	0.9
191.07034	12.3
199.03970	0.8
203.07117	2.1
208.37836	0.5
213.05424	3.8
215.07034	3.4
216.04292	0.5
221.08115	5.0
227.06870	0.6
231.06535	1.7
233.08116	6.6
241.04922	2.2
251.09152	3.8
252.72878	0.5
259.05954	0.6
266.05457	1.0
267.01965	0.5
269.04391	1.2
269.10287	0.8
287.05515	100.0
287.11151	8.2
288.05899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01863	2.0
55.05508	0.5
56.05013	0.4
56.96556	0.5
57.03422	1.7
58.06582	1.5
61.02926	1.2
67.05492	0.8
68.99792	1.6
69.03426	3.2
69.07063	0.9
70.06254	0.5
70.06596	4.7
70.22839	1.0
70.23232	1.2
71.01344	0.6
71.04980	1.8
71.06921	0.8
72.08154	2.6
73.02892	1.0
74.06082	0.4
79.05501	2.2
81.03411	1.9
81.07063	2.9
83.04987	0.6
83.08645	0.4
84.04507	0.9
84.08141	2.2
85.02436	0.6
85.02914	10.5
85.06519	0.4
86.09705	1.1
87.04475	0.5
88.03959	0.4
91.05484	3.4
93.07047	4.1
95.04988	2.8
95.08595	0.9
97.02897	3.7
97.06518	1.1
98.97572	0.5
103.03938	2.0
103.05453	0.6
105.07011	1.2
107.04979	2.0
107.08608	2.1
109.02888	2.8
109.06499	1.7
111.00807	1.0
111.08072	0.6
115.05455	1.1
115.08687	1.3
116.07102	3.2
117.06978	0.7
117.07492	0.5
119.04902	0.6
119.08556	1.2
121.02867	1.5
121.06506	20.4
121.10098	0.5
123.04425	1.4
125.05998	10.6
125.09683	0.8
127.03922	2.1
128.06224	0.5
129.07018	0.7
129.10208	0.8
130.08585	0.6
131.04944	0.6
131.08571	1.3
135.04390	0.8
135.08084	2.8
135.11783	0.5
137.02388	4.8
137.05984	42.6
139.03944	0.8
143.04906	0.8
144.05685	0.7
144.13840	0.6
145.04961	1.3
145.06471	2.0
147.04399	1.7
147.08067	1.0
149.02350	1.0
149.05988	33.0
149.09601	1.0
151.03899	1.5
151.07553	0.7
153.01823	1.2
153.05495	0.8
154.13034	0.7
157.06488	1.5
159.08110	0.9
160.07616	0.7
161.05997	5.9
163.03908	1.4
163.07562	3.2
165.01855	0.9
165.05498	0.9
167.07050	23.2
169.06424	0.5
171.04370	1.0
175.03879	0.8
175.07489	1.1
175.10774	0.6
177.01938	0.5
177.05461	0.9
177.09119	0.7
179.06941	0.9
185.06001	1.5
187.07556	2.9
189.05489	1.2
191.07054	9.3
193.04997	0.7
199.03923	0.7
203.03421	1.3
203.07010	1.4
205.08563	1.1
213.05472	3.2
215.06955	2.1
215.71979	0.5
216.04123	0.5
221.08075	3.3
231.06491	1.2
233.08113	4.2
241.04936	2.2
245.04439	1.0
251.09137	3.1
259.06033	1.3
266.05591	1.5
266.55484	0.6
267.01877	0.5
269.04388	1.0
269.10403	0.9
287.05511	100.0
287.11160	8.9
287.20126	1.3
288.05859	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0915
Annotation	Heraclenin
Peak:m/z	Relative Intensity
55.05496	1.0
57.07078	2.4
58.06596	0.6
65.03607	0.4
65.03943	6.4
67.05509	30.5
68.90026	0.2
68.99786	0.3
69.07069	0.3
71.52743	0.2
71.53185	0.4
72.08132	0.4
79.05492	0.5
81.07066	1.4
85.06548	18.9
89.03908	1.1
91.05466	1.2
93.07064	0.3
95.08598	0.8
103.05454	0.7
105.07033	0.5
107.04972	0.6
107.08605	0.5
108.08119	0.4
109.10162	0.5
117.03374	0.3
119.04931	0.7
119.08623	0.4
121.02879	0.6
129.03400	1.4
131.04922	4.9
135.04401	0.6
137.02388	0.5
137.06029	0.3
143.08582	0.3
145.02898	2.7
145.03917	0.5
145.06497	0.9
145.10153	0.4
147.04417	17.8
147.11635	0.4
153.01860	0.5
155.01877	0.5
157.02872	3.7
159.04428	2.2
159.11647	0.3
161.13258	0.3
165.01874	0.3
167.03409	1.9
171.01419	1.3
171.04401	0.8
171.07893	0.2
173.02347	8.5
174.03207	1.4
175.03922	6.2
177.01874	0.3
177.06787	0.5
185.02327	2.6
186.03130	0.3
187.03888	0.3
195.08148	0.3
197.05957	0.4
199.03955	1.4
199.07579	1.4
201.01842	7.2
201.16425	0.3
202.02629	3.0
203.03400	100.0
204.03680	0.3
210.44212	0.3
213.05432	0.4
215.03386	1.3
215.06822	0.3
223.07616	0.2
227.07045	2.5
231.06288	0.3
237.09880	0.3
241.08670	1.4
243.06538	2.2
257.07959	0.3
258.41824	0.3
261.13452	0.6
269.08090	6.9
271.05902	0.3
287.05490	11.5
287.09067	6.0
287.20190	0.3
287.23621	0.7
298.60657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0553
Annotation	Luteolin
Peak:m/z	Relative Intensity
54.03360	0.1
55.05514	0.1
56.96553	0.2
67.01874	1.2
67.05506	0.2
68.99789	1.2
69.07055	0.3
69.42229	0.5
69.42654	0.4
79.05499	0.5
81.07038	0.3
85.06514	0.1
89.03909	0.5
91.05479	0.7
93.07018	0.3
95.04990	0.1
95.08598	0.2
97.02885	0.1
97.06537	0.3
105.07030	0.2
107.04937	0.4
107.08608	0.2
109.02908	0.2
111.00801	0.3
111.04453	0.1
117.03402	0.6
119.08584	0.2
121.02873	0.4
121.10097	0.2
125.02398	0.2
129.01752	0.2
129.07008	0.1
131.08615	0.2
133.10077	0.1
135.04430	3.9
137.02344	0.8
137.98798	0.1
141.06973	0.1
143.00093	0.1
145.10161	0.1
147.04427	0.2
149.02333	0.1
153.01842	10.3
157.06493	0.2
159.11676	0.2
161.02388	0.9
161.05930	0.1
163.03947	0.1
165.01958	0.1
171.02901	0.5
171.04289	0.1
179.03397	0.5
185.05975	0.4
199.03906	0.1
201.16402	0.2
213.05469	0.5
214.12218	0.1
214.83195	0.1
223.03899	0.1
231.06503	0.2
241.04991	1.3
245.04350	0.1
258.05188	0.2
259.06027	0.2
269.04504	0.8
269.08063	0.3
269.12759	0.3
269.22421	0.2
287.05518	100.0
287.23706	0.4
288.05817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0554
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03951	0.1
53.75481	0.1
55.01877	0.1
65.03951	0.3
67.01884	0.3
68.99435	0.1
68.99794	2.0
69.03426	0.2
69.62246	0.2
69.62659	0.2
71.01373	0.1
79.05513	0.5
79.87799	0.1
81.03443	0.2
81.07084	0.1
85.02937	0.1
91.05503	0.1
95.01295	0.1
95.04972	0.2
95.08636	0.1
97.02863	0.1
98.21593	0.1
99.66795	0.1
103.05470	0.2
103.33035	0.1
105.03407	0.8
105.07022	0.1
107.04958	1.1
109.02872	0.8
111.00814	1.4
111.04476	0.2
112.80397	0.1
115.05499	0.1
117.06995	0.1
119.04970	0.2
121.02879	6.0
121.03905	0.3
121.06463	0.1
127.03972	0.2
128.06282	0.1
129.07031	0.4
131.04913	0.1
133.02849	0.9
133.06552	0.1
135.04416	0.3
135.08064	0.1
137.02350	2.1
137.05962	0.1
141.06998	0.4
143.04929	0.1
145.06493	0.5
147.04422	1.2
149.05980	0.1
151.03896	0.1
153.01840	9.7
157.06497	1.3
161.06029	0.4
163.03937	0.1
165.01851	3.5
169.06526	0.2
171.04410	0.6
173.05949	0.1
175.03888	0.1
175.07574	0.2
183.02902	1.5
184.05190	0.1
185.05959	1.0
189.05501	0.3
194.02133	0.1
197.06021	0.3
199.03951	0.1
201.05440	0.1
203.03474	0.2
203.07097	0.3
213.05481	2.9
216.04109	0.1
223.03882	0.1
229.04953	0.3
231.06506	1.1
241.04982	1.5
242.05714	0.1
243.06569	0.2
245.04506	0.1
257.04535	0.1
258.05264	2.1
259.06018	0.8
263.05841	0.1
269.04446	0.3
286.04742	0.1
287.05515	100.0
288.05832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0554
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01863	0.3
55.05510	0.5
57.22061	0.2
58.06593	0.4
62.09216	0.2
67.01870	0.2
67.05489	0.6
68.99792	1.5
69.03435	0.4
69.07058	0.7
69.80077	1.0
70.15804	0.2
71.05011	0.2
72.08163	0.2
79.05498	1.1
81.03420	0.3
81.07066	1.3
83.04987	0.2
83.08623	0.2
85.02892	0.2
86.76880	0.2
91.05502	0.9
92.14204	0.2
93.07045	0.8
93.38979	0.2
94.55062	0.2
95.04980	0.4
95.08603	1.2
97.00574	0.2
97.02935	0.2
97.06519	0.2
98.21478	0.3
102.99213	0.2
103.05495	0.4
105.03395	0.8
105.07021	0.8
107.04974	0.8
107.08588	0.7
109.02876	0.6
109.10159	0.5
111.00851	1.2
111.04464	0.4
112.72702	0.2
115.05502	0.3
117.07034	0.7
119.04967	0.4
119.08572	0.8
121.02001	0.3
121.02885	5.5
121.03886	0.3
121.06501	0.5
121.10161	0.3
123.08038	0.2
123.11734	1.7
124.07629	0.2
127.11211	0.2
128.06198	0.2
129.06982	0.5
131.08614	0.5
133.02873	0.8
133.06505	0.4
133.10117	0.4
135.04446	0.4
135.11678	0.3
137.02361	1.9
137.06001	0.3
141.06982	0.3
143.08568	0.5
145.06487	2.4
145.10161	0.4
147.04413	1.2
147.08044	0.5
147.11691	0.4
149.05971	0.4
149.13286	0.3
151.07530	0.2
153.01843	8.2
155.08644	0.2
157.06522	1.0
157.10126	0.2
159.08075	0.7
159.11719	0.3
161.05959	0.4
161.13257	0.3
165.01852	2.7
165.09200	0.2
169.06615	0.2
171.04411	0.5
171.08105	1.4
173.13269	0.6
175.03918	0.3
175.07567	0.2
177.06819	0.3
183.02905	1.6
185.05995	1.0
185.09659	0.4
187.07568	0.2
189.05492	0.3
197.05981	0.2
199.03931	0.2
199.11218	1.2
201.16373	0.2
203.03500	0.3
203.07155	0.4
213.05507	2.8
213.16301	0.2
227.14301	0.2
229.05037	0.2
231.06532	1.2
241.04947	1.7
243.06613	0.5
251.22202	0.4
255.21333	0.2
258.05261	1.8
259.05948	0.9
265.16125	0.2
269.04605	0.5
269.22903	0.7
287.05527	100.0
287.23468	1.0
288.05853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.0
56.45022	0.0
59.74933	0.0
67.01873	1.4
68.99794	1.2
69.03431	0.1
69.52503	0.2
72.08130	0.0
79.05499	0.3
81.03426	0.1
81.60609	0.0
83.01384	0.0
85.02917	0.1
86.68520	0.0
89.03928	0.6
91.01861	0.0
93.03414	0.0
93.82153	0.0
95.04942	0.0
95.08562	0.0
97.02884	0.1
105.03403	0.0
107.04986	0.3
109.02875	0.1
111.00825	0.2
111.04461	0.1
117.03387	0.7
121.02867	0.0
125.02364	0.1
127.03871	0.1
128.06262	0.1
129.01872	0.2
129.07004	0.1
134.42128	0.0
135.04428	4.2
137.02356	1.1
137.03403	0.1
139.05421	0.1
145.03983	0.0
145.06520	0.0
147.04428	0.1
147.06326	0.0
149.02306	0.0
151.03870	0.1
153.01840	10.3
157.06497	0.1
161.02353	1.2
161.05962	0.0
163.03860	0.0
167.04968	0.1
169.06570	0.0
171.02896	0.6
171.04437	0.1
173.05942	0.1
177.05530	0.0
179.03427	0.5
185.05957	0.3
189.05493	0.1
195.04398	0.1
199.03883	0.1
201.05496	0.1
203.03426	0.2
213.05507	0.4
217.04973	0.1
218.05743	0.1
219.06409	0.2
223.03986	0.1
227.03490	0.0
231.06502	0.2
241.04956	1.3
242.05650	0.0
244.03714	0.0
245.04381	0.2
258.05255	0.1
259.06180	0.2
263.05560	0.1
269.04471	0.8
270.05042	0.0
286.04703	0.1
287.05511	100.0
288.05838	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.64846	0.1
55.05518	0.1
58.56965	0.1
67.01871	1.2
67.05511	0.3
68.67604	0.1
68.99786	1.0
69.03433	0.1
69.07076	0.2
70.06591	0.1
71.04997	0.2
72.08156	0.1
79.05507	0.5
81.03413	0.2
81.07067	0.4
83.05006	0.1
83.08607	0.1
84.08139	0.1
85.02889	0.1
86.09720	0.2
87.01748	0.1
89.03918	0.6
91.05478	0.4
93.07050	0.3
93.46918	0.1
95.04977	0.1
95.08598	0.4
97.02905	0.1
97.06522	0.1
99.08060	0.1
105.03374	0.1
105.07041	0.2
107.04975	0.6
107.08616	0.1
108.05296	0.1
109.02912	0.1
109.10192	0.1
111.00806	0.2
111.04456	0.2
113.09686	0.1
115.05481	0.2
117.03375	0.5
117.07059	0.1
119.08609	0.4
121.02899	0.1
121.10139	0.2
125.02410	0.1
129.01852	0.2
129.07047	0.1
131.04909	0.1
133.02797	0.1
133.10170	0.1
133.25377	0.1
135.04431	3.9
135.11668	0.1
136.89664	0.1
137.02354	1.2
139.05469	0.1
147.04398	0.1
147.08073	0.1
151.03886	0.1
153.01843	10.0
157.06531	0.2
161.02357	1.1
165.01753	0.1
165.09120	0.1
171.02905	0.5
171.04430	0.2
179.03438	0.6
185.05991	0.3
189.05518	0.1
195.04463	0.1
199.03894	0.1
203.03343	0.2
213.05479	0.4
215.06929	0.1
219.06467	0.1
226.07420	0.2
227.10612	0.1
231.06580	0.2
241.04961	1.3
241.09921	0.1
245.04456	0.1
255.10266	0.1
258.05264	0.1
259.06058	0.3
263.05518	0.1
269.04431	0.7
270.12012	0.2
287.05518	100.0
288.05835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.36633	0.1
52.63464	0.1
53.03942	0.2
53.56687	0.1
54.85936	0.1
55.01868	0.2
65.03944	0.3
67.01856	0.2
68.35788	0.1
68.99445	0.1
68.99797	1.7
69.03437	0.2
69.96895	0.3
79.05504	0.5
79.83977	0.1
81.03415	0.3
85.02915	0.1
91.05489	0.1
95.04947	0.1
97.12086	0.1
103.05481	0.2
105.03416	0.7
107.04968	1.2
109.02911	0.6
111.00809	1.4
111.04462	0.1
115.05445	0.2
116.62573	0.1
117.07029	0.1
119.04971	0.2
121.02879	6.1
121.03909	0.3
121.06478	0.1
122.64146	0.1
127.03857	0.1
128.06242	0.1
129.07001	0.3
133.02876	0.8
135.04437	0.4
137.02348	1.8
140.59271	0.1
141.06981	0.3
145.06497	0.4
147.04430	1.0
147.75473	0.1
153.01842	8.9
155.06075	0.1
157.06502	1.3
161.05989	0.2
163.03763	0.1
165.01857	3.4
169.06509	0.2
171.04390	0.6
175.03967	0.1
183.02904	1.4
185.05977	1.0
189.05479	0.3
193.64082	0.1
194.02219	0.1
197.06035	0.3
199.03975	0.1
201.05573	0.1
203.03416	0.2
203.07056	0.3
213.05486	2.7
221.04689	0.1
229.04999	0.4
231.06506	1.1
241.04958	1.5
243.06436	0.1
245.04741	0.1
252.09573	0.1
258.05264	1.9
259.06113	0.7
269.04465	0.3
287.05521	100.0
288.05856	0.9
304.45593	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	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
54.30017	0.1
55.01875	0.1
65.03938	0.2
67.01864	0.3
68.99439	0.2
68.99793	1.9
69.03419	0.2
69.49218	0.6
71.01341	0.1
72.50896	0.1
76.73271	0.1
77.03893	0.1
79.05502	0.5
80.00482	0.1
81.03432	0.3
81.07040	0.2
91.05469	0.1
93.03422	0.1
94.04199	0.1
95.04983	0.1
95.08600	0.1
97.02911	0.1
98.21529	0.2
103.05461	0.3
105.03407	0.8
105.07041	0.2
107.04971	1.0
109.02909	0.7
109.06553	0.1
111.00815	1.3
111.04440	0.2
115.05429	0.2
117.07003	0.2
119.04971	0.1
119.08557	0.2
121.02878	6.2
121.03931	0.4
121.06538	0.2
127.03902	0.2
128.06244	0.1
129.07004	0.4
131.04898	0.2
133.02866	0.8
133.06526	0.1
135.04416	0.2
137.02342	1.9
137.05978	0.1
141.06979	0.4
143.04906	0.1
145.06544	0.5
147.04414	1.2
151.03873	0.2
153.01840	9.7
157.06480	1.0
161.02386	0.1
161.05977	0.3
163.03940	0.1
165.01849	3.5
169.06555	0.1
171.04413	0.8
173.05972	0.1
175.07594	0.2
183.02913	1.5
184.05229	0.1
185.05995	1.0
189.05414	0.3
194.02159	0.1
197.06003	0.3
199.03857	0.1
203.07045	0.3
213.05467	2.9
217.05016	0.1
229.05016	0.4
231.06551	1.4
241.04967	1.5
242.05685	0.2
243.06520	0.2
258.05273	2.3
259.06036	0.8
269.04440	0.4
285.75446	0.1
286.04675	0.1
287.05511	100.0
288.05811	0.5
301.01978	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	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.1
55.01867	0.1
65.03938	0.3
67.01867	0.3
67.05502	0.1
68.99439	0.1
68.99796	1.7
69.03437	0.2
69.07057	0.1
70.02124	0.1
70.02514	0.1
70.06579	0.1
71.01366	0.1
76.87686	0.1
79.05500	0.6
81.03421	0.3
81.07044	0.1
83.01329	0.1
91.05489	0.1
93.03417	0.1
93.07047	0.1
95.04972	0.2
97.02896	0.2
103.05482	0.2
105.03397	0.8
105.04513	0.1
105.07034	0.1
107.04967	1.1
109.02888	0.8
111.00813	1.5
111.04484	0.2
115.05462	0.2
116.85802	0.1
117.07007	0.1
119.04974	0.2
121.02874	6.3
121.03916	0.3
121.06515	0.1
125.80367	0.1
126.03065	0.1
127.03957	0.2
128.06230	0.1
129.07019	0.4
133.02863	0.9
133.06493	0.1
135.04463	0.4
135.08081	0.1
135.20496	0.1
137.02345	2.2
139.05412	0.1
141.07007	0.3
143.04987	0.1
144.48738	0.1
145.06500	0.5
147.04428	1.3
147.08049	0.1
149.02394	0.1
151.03870	0.1
153.01836	9.7
157.06490	1.1
161.05980	0.4
163.03961	0.1
165.01851	3.6
168.05721	0.1
169.06491	0.2
171.02982	0.1
171.04422	0.6
173.05836	0.1
175.03972	0.2
175.07553	0.1
179.03345	0.1
183.02913	1.4
184.05170	0.1
185.06004	1.0
189.05502	0.2
197.06027	0.3
199.03900	0.1
201.05486	0.1
203.03503	0.1
203.07010	0.3
213.05472	3.0
216.04292	0.1
217.04965	0.2
218.05743	0.1
223.04123	0.1
229.04973	0.3
230.05797	0.1
231.06537	1.2
241.04976	1.5
242.05766	0.1
243.06529	0.2
245.04504	0.2
257.04645	0.1
258.05267	2.2
259.06064	0.8
263.05612	0.1
269.04355	0.4
270.05154	0.1
287.05505	100.0
288.05774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	3.7
55.01873	6.8
55.05515	21.4
57.03440	0.8
57.07074	4.2
58.06589	2.9
67.05508	34.3
69.07073	20.8
69.69288	4.9
70.06609	2.6
71.04994	2.2
72.08163	53.5
79.05501	8.3
81.03419	8.9
81.07066	47.5
83.04984	3.1
83.08629	8.2
85.02933	1.2
85.06576	1.5
90.09218	0.9
91.05512	4.2
93.07051	8.0
94.06651	0.8
95.04977	7.9
95.08614	75.5
97.06541	6.5
97.10159	3.7
98.06077	2.2
105.07055	6.7
107.08595	4.4
107.67258	0.7
109.06528	3.3
109.09470	1.4
109.10170	19.6
111.11707	1.1
117.06989	1.6
119.08575	6.2
121.06513	0.8
121.10149	2.7
123.08092	3.1
124.03976	1.5
125.76284	1.0
128.56786	0.7
133.10149	2.3
135.11685	3.4
137.09563	1.1
137.13266	2.9
141.10176	0.9
151.14842	5.7
152.53058	0.8
161.13271	6.0
179.14313	10.7
187.70122	0.9
216.10040	1.1
220.20631	2.4
222.22142	2.0
250.21689	70.8
268.22739	100.0
286.07941	4.9
286.11499	2.5
286.17831	2.4
286.23813	9.0
287.05527	5.1
287.08411	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.4
57.03428	0.7
58.06602	3.3
67.05518	2.1
68.30457	0.6
69.03428	1.2
69.07085	1.6
70.06597	29.9
71.05026	0.9
71.51413	0.9
72.08160	100.0
79.05505	1.5
80.05041	0.7
81.03422	0.9
81.07042	0.9
84.04504	1.7
84.08154	6.6
85.02907	1.3
86.09719	5.1
86.99082	0.7
89.23125	0.6
91.05500	2.1
93.07038	1.8
95.04974	0.9
95.08611	24.8
96.08164	1.4
97.06539	1.5
98.09760	0.6
103.05483	0.8
105.42603	0.6
107.04969	3.2
110.07186	1.3
112.11264	2.7
116.07091	5.5
118.06525	0.8
119.04851	0.6
120.08139	1.8
121.06548	0.6
123.08069	0.9
124.03956	4.4
124.07602	11.6
127.08682	1.6
129.10268	1.1
130.12282	0.6
136.07585	1.8
137.05930	0.9
138.09143	1.1
141.09119	8.5
146.06110	0.9
154.08650	0.7
155.08203	3.4
159.10202	5.3
161.06035	1.2
164.07089	3.1
168.13907	0.7
173.09258	1.5
182.08215	1.2
197.16499	2.7
198.14906	94.9
215.17532	8.0
226.09383	0.8
242.17165	0.7
251.21286	1.0
254.08893	0.9
268.15442	0.9
268.23862	25.7
269.22244	40.0
286.07864	1.9
286.11572	0.7
286.14307	3.7
286.17609	4.8
286.24899	39.9
287.07428	0.9
287.10077	1.2
309.29218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
55.01873	0.1
55.05529	0.1
65.03947	0.3
67.01865	0.3
67.26048	0.1
68.99797	1.7
69.03430	0.3
69.32097	0.5
71.01347	0.1
76.87849	0.1
79.05492	0.6
81.03417	0.2
81.07056	0.1
91.05474	0.1
93.03378	0.1
94.04228	0.1
95.04986	0.2
97.02888	0.1
103.05470	0.2
105.03399	0.8
105.07024	0.1
107.04965	1.0
109.02898	0.8
110.11417	0.1
111.00814	1.3
111.04457	0.3
112.59525	0.1
115.05456	0.2
117.07006	0.1
119.04961	0.1
121.02878	5.6
121.03843	0.2
121.06477	0.1
127.03922	0.2
128.06241	0.1
129.07062	0.4
131.04890	0.1
133.02859	0.8
133.06540	0.1
135.04439	0.4
137.00723	0.1
137.02347	2.1
139.05492	0.1
141.07024	0.2
141.44336	0.1
143.05038	0.1
145.02840	0.1
145.06511	0.5
147.04419	1.3
151.03920	0.2
153.01843	9.1
157.06491	1.2
161.06001	0.3
163.03885	0.1
165.01857	3.3
169.06575	0.1
171.04410	0.6
173.06027	0.1
175.03923	0.2
175.07486	0.1
179.03473	0.1
183.02916	1.2
184.05316	0.1
185.05994	1.2
189.05489	0.2
194.02148	0.1
197.06001	0.3
199.03996	0.1
201.05431	0.1
203.03409	0.1
203.07080	0.3
204.30644	0.1
212.04570	0.1
213.05490	2.6
214.05974	0.1
216.04179	0.1
217.04956	0.1
223.04129	0.1
229.04933	0.4
231.06528	1.2
241.04988	1.4
243.06570	0.2
245.04356	0.1
258.05286	2.2
259.06076	0.8
263.05563	0.1
269.04456	0.4
286.04816	0.1
287.05521	100.0
288.05847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	3.8
55.05518	15.1
57.07061	7.0
58.02953	2.8
65.03933	3.5
67.05489	7.7
69.06725	4.6
69.07076	45.6
71.08636	2.5
71.52032	2.6
71.52432	2.6
72.08156	9.8
77.70972	2.6
79.05499	18.7
81.07054	9.9
90.09200	6.1
91.05499	27.2
93.07056	100.0
94.89867	2.2
95.04980	7.2
95.08597	10.1
97.10172	4.0
105.07021	12.3
106.06599	3.0
106.26133	2.4
107.04939	9.5
107.08606	65.5
109.10192	11.8
111.11739	12.4
118.06512	2.7
119.04921	3.3
120.05640	3.2
121.06525	10.9
121.10192	3.4
123.11717	4.6
129.07057	3.0
131.04953	22.4
133.06502	4.0
134.06010	8.6
135.06812	13.6
135.11705	56.3
141.07028	3.0
142.07776	3.3
144.05743	5.8
145.06480	15.4
146.07265	3.3
152.07109	15.1
157.06558	2.8
157.10249	3.8
158.06053	2.8
158.07285	7.9
159.06801	11.6
159.08031	4.2
162.12666	2.5
164.07091	10.9
170.06030	5.6
171.08040	6.6
171.68448	2.7
172.08891	4.0
176.07100	27.3
178.08620	8.4
184.07506	3.6
185.09636	29.7
186.09196	3.3
188.07094	10.6
190.08665	3.9
192.10289	6.7
197.09584	12.1
201.11469	3.9
202.08670	11.2
204.10236	5.9
211.11194	3.6
212.10852	3.5
216.10216	5.8
218.11766	19.8
230.11807	17.8
241.15932	8.5
286.07919	5.9
286.17966	38.9
286.27759	4.6
286.31039	59.1
287.05487	3.4
304.80200	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	286.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.0
54.04645	3.7
55.05515	25.4
58.06606	6.9
67.05495	13.6
69.06734	5.6
69.07076	76.3
71.08635	4.4
71.41748	6.6
72.08141	11.7
79.05079	3.2
79.05486	16.9
81.07071	15.7
87.04453	3.5
90.09196	9.0
91.05491	47.6
91.35553	3.2
93.07052	90.5
95.04965	6.1
95.08591	12.1
97.10155	5.9
105.07040	21.0
107.04943	10.8
107.08604	83.1
109.10139	21.3
111.11739	19.1
115.05437	4.9
117.07033	4.7
119.04922	11.3
119.08591	10.6
121.06503	23.4
121.10184	3.8
123.11730	5.6
126.72163	3.7
128.06203	7.9
129.06989	10.4
130.06526	3.4
131.04930	37.4
131.08548	5.9
133.06511	24.9
135.11707	44.8
137.05986	9.4
141.06979	4.0
142.07796	11.9
143.08565	6.4
144.05690	11.4
145.06499	16.7
145.10098	5.0
146.05963	3.7
147.08046	26.5
152.07127	4.0
155.08537	10.4
157.06485	9.8
157.10165	9.5
158.07323	17.2
159.06776	8.0
159.08063	28.1
161.09669	5.7
164.07062	18.8
167.08543	4.7
170.06020	7.8
170.07289	7.7
171.08067	14.6
172.08719	3.9
173.09584	17.6
176.07072	28.4
185.09645	89.2
186.09177	5.3
188.07100	6.5
192.10292	5.5
199.11197	12.1
202.08728	9.2
204.10176	4.0
205.54198	3.4
216.10216	6.9
218.11795	25.8
223.14780	4.6
230.11722	14.2
230.81406	3.3
241.15891	100.0
260.38431	3.5
286.08017	15.9
286.17941	45.5
286.27716	4.1
286.31079	74.5
287.05518	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	286.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
55.05509	11.2
57.07066	2.7
67.05506	3.4
69.06729	3.8
69.07069	38.6
69.51783	16.5
79.05496	11.8
81.07061	6.1
91.05485	27.8
93.07048	100.0
95.04945	4.0
95.08606	5.4
98.20704	2.6
101.96202	2.2
105.07030	10.4
107.04948	4.7
107.08594	68.4
109.10191	6.3
111.11714	8.2
119.08599	5.6
121.06504	8.2
123.11723	5.0
126.06429	2.4
131.04930	5.5
133.06464	3.2
135.11694	90.2
144.05685	5.9
145.06490	2.9
152.07085	3.4
154.51501	2.1
157.06445	3.3
157.10034	2.5
158.07257	6.3
159.06783	4.1
159.08047	4.8
164.07111	16.1
170.05977	3.1
170.07324	3.6
171.08057	7.3
172.08852	4.6
176.07060	10.3
178.08618	5.7
178.55528	2.3
185.09607	16.9
188.07089	17.0
190.08626	4.3
190.85332	2.2
197.09634	4.2
199.11238	7.0
202.08620	20.1
204.10274	7.7
210.10443	2.7
211.11186	9.6
216.10208	4.6
218.11748	4.6
230.11777	10.0
240.14967	3.4
241.15865	13.6
253.15895	26.3
255.18697	2.1
286.18015	23.1
286.30817	3.3
300.10092	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	286.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	17.4
57.07080	5.9
58.06586	1.8
58.36027	1.4
59.89817	1.2
67.05491	4.4
69.07073	100.0
71.08656	1.6
71.53004	1.8
75.80511	1.3
79.05511	4.9
81.07069	5.4
83.08618	2.2
91.05500	9.6
93.07062	23.6
96.27407	1.5
99.28347	1.6
105.07055	2.9
107.08600	16.1
109.10184	5.2
111.11735	25.8
117.07086	1.8
119.04933	2.9
121.06516	4.7
123.11732	2.3
128.06242	1.8
130.06523	1.9
131.04933	7.2
133.06540	2.6
134.06049	1.7
135.11694	13.3
142.07828	1.8
143.08594	2.0
144.05779	2.2
145.06444	3.2
150.58813	1.4
157.06538	2.6
157.10168	2.4
158.07307	2.8
159.06839	6.0
164.07037	7.7
170.07314	3.4
171.08078	9.9
172.60818	1.7
176.07085	18.4
185.09634	16.0
188.07124	6.1
198.10643	1.4
199.11157	2.9
202.08640	7.8
216.10216	3.9
230.11896	1.8
241.15913	8.7
243.06038	2.3
251.75833	1.7
253.15895	3.6
280.10291	1.5
286.07944	4.4
286.14993	2.1
286.17978	15.5
286.22113	2.2
286.31082	11.1
286.33765	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	286.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74380	0.9
53.03938	4.0
55.05513	7.3
57.07078	2.8
57.24111	1.0
58.02959	1.1
67.05494	4.7
69.06727	1.9
69.07072	19.3
71.52723	1.6
71.79295	1.1
79.05494	11.6
81.07057	4.3
89.26854	1.1
91.05489	23.7
93.07050	86.6
95.04951	3.7
95.08619	6.0
97.10178	2.5
105.04515	1.4
105.07049	9.8
106.06573	1.1
107.04978	3.1
107.08601	67.9
109.06476	1.5
109.10160	8.1
110.57562	1.0
111.11725	4.9
117.05812	1.9
117.07014	1.1
118.06561	1.3
119.06081	1.0
119.07404	1.2
119.08578	6.0
120.05750	1.5
121.06497	10.0
121.10148	2.3
123.11704	3.9
129.07033	1.2
130.06514	1.6
131.04962	7.0
134.06015	1.3
135.06808	2.7
135.11700	100.0
142.07777	1.3
144.05696	6.7
145.06490	4.1
145.15526	1.1
146.06042	2.4
147.06808	2.7
152.07080	6.8
157.06464	2.8
158.07280	7.9
159.06784	3.6
159.08044	2.5
160.08859	1.1
161.08447	1.6
164.07072	15.6
170.06035	2.6
171.08061	3.9
171.93974	1.1
172.07578	1.4
172.08868	3.7
176.07054	8.8
178.07277	1.4
178.08676	10.0
182.07185	1.4
183.08064	2.6
184.07564	1.6
185.09628	10.9
187.09921	1.3
188.07086	25.7
190.08661	6.9
192.10204	2.4
196.08768	1.5
197.09627	4.9
199.11162	3.2
202.08632	33.4
204.10204	6.6
209.09589	1.3
210.10420	2.8
211.11185	9.5
213.11295	1.3
216.10188	7.3
218.11797	7.4
225.12888	1.2
228.15233	1.3
230.11819	12.6
240.15079	3.4
241.15909	5.8
253.15891	21.4
258.98572	1.1
259.98999	1.1
286.15326	2.7
286.18085	31.3
286.31021	10.0
291.88205	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01871	1.6
55.05524	5.5
57.07081	6.5
57.79084	0.8
58.06604	1.6
60.70890	1.0
62.06089	1.6
65.03934	1.5
67.05512	7.7
69.07074	12.7
69.93927	4.1
70.06583	1.1
71.01353	1.5
71.08627	3.7
72.08165	11.9
79.05507	6.1
81.07066	36.0
83.08624	2.2
86.09696	1.2
87.04475	2.0
90.09200	9.2
91.04912	1.1
91.05490	20.9
93.07056	17.6
94.67372	0.8
94.68016	1.1
95.04942	1.7
95.08598	4.1
97.10132	1.3
100.02706	0.9
105.07019	3.2
107.04948	3.6
107.08606	13.4
109.06524	2.4
109.10170	15.4
111.11734	1.5
117.05727	1.2
118.06564	4.9
119.04966	8.7
119.07317	1.0
119.08643	1.1
120.05724	7.6
121.06519	62.5
121.10120	4.3
123.04469	0.8
123.11726	21.1
127.00639	1.1
128.06218	0.9
129.07039	1.3
129.95718	0.8
131.04889	2.9
133.06523	2.8
135.06807	1.4
135.11694	12.2
137.05995	16.5
142.07838	1.8
144.05711	3.1
145.06491	4.7
146.06027	9.5
146.07153	1.6
147.06841	6.3
147.07883	1.3
152.07076	2.1
157.06517	3.5
158.07281	3.2
159.06871	2.2
159.08086	6.6
161.09683	1.6
164.07089	93.1
165.07097	1.1
169.06529	1.7
170.07295	1.1
171.08066	8.5
172.08824	3.6
173.09679	2.8
176.07066	4.0
178.08644	4.1
179.08539	2.8
183.08078	4.7
184.07426	1.1
185.09659	10.3
186.09068	1.6
188.07094	3.2
189.08839	0.8
190.08603	1.5
192.10231	2.6
197.09680	7.1
198.09096	1.4
199.11302	1.6
201.12767	3.8
202.08698	4.1
204.10201	3.9
206.11792	1.4
211.11229	1.8
212.10768	1.6
212.23805	1.0
213.11447	2.2
216.10191	3.9
218.11761	1.6
224.11586	1.3
226.25255	1.0
230.11826	12.2
230.24800	7.6
241.15901	7.6
243.05959	1.1
253.15869	5.5
268.16943	1.2
269.17871	1.5
286.07904	4.1
286.15085	3.4
286.18045	19.5
286.31064	100.0
286.62292	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.3
53.03939	4.5
55.05511	11.3
57.07072	2.4
58.02955	1.4
60.79369	1.2
65.03937	2.4
67.05181	1.2
67.05511	15.1
69.07076	27.6
70.46841	2.1
70.47231	2.6
74.18852	1.1
75.33192	1.2
79.05074	1.8
79.05500	27.2
81.07059	15.4
83.08633	1.1
91.04912	1.5
91.05482	31.3
93.07051	96.3
95.04962	4.3
95.08613	26.0
97.10163	2.6
103.05395	1.1
104.06138	0.9
105.04547	1.2
105.07034	12.7
106.06560	2.4
107.04972	9.2
107.08600	100.0
109.06510	4.1
109.10165	29.0
110.73914	1.0
111.11721	10.5
115.05531	1.1
117.05779	2.1
117.07036	2.5
118.06580	3.3
119.04961	2.7
119.06086	2.9
119.08578	4.7
120.05713	3.6
120.09332	1.1
121.05669	2.0
121.06512	33.6
121.07377	2.0
121.10164	6.9
123.11717	14.0
129.07005	1.7
130.06578	2.8
131.04941	5.4
132.05728	6.3
132.08040	1.5
133.06516	3.8
133.10141	1.8
134.07365	1.1
135.06792	4.9
135.11700	89.4
136.07587	1.3
137.05972	2.1
144.05733	7.9
144.08095	1.3
145.06490	11.6
146.06023	7.0
146.07275	2.6
147.06799	5.9
147.07985	2.2
148.07585	1.3
152.07074	17.8
157.06470	5.6
158.06064	2.1
158.07259	12.0
159.06770	3.5
159.08087	4.4
160.07500	1.8
161.08372	2.7
161.09584	1.3
162.05493	1.7
164.07082	39.0
170.05988	2.8
171.08057	4.0
172.08833	4.2
173.08310	6.0
176.07080	17.7
178.08658	29.3
179.08516	1.5
183.08044	5.8
184.07529	2.7
185.09682	7.7
188.05530	1.7
188.07079	23.3
190.08650	21.3
192.10216	1.8
194.75546	1.1
197.09671	5.9
199.09749	1.4
199.11293	1.8
202.08644	26.9
204.10233	3.3
211.11235	3.2
212.10762	2.1
216.10220	10.6
218.11824	4.4
224.11969	1.3
225.12775	1.2
228.15158	2.1
230.11765	8.0
241.15915	5.9
253.15924	15.7
254.15327	1.5
268.17044	1.2
269.17810	3.0
273.62064	1.1
286.07913	1.8
286.18030	67.0
286.24768	1.9
286.27606	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	286.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	23.3
57.82758	1.6
58.02964	1.8
67.05499	5.5
69.07072	65.2
70.68644	3.4
70.68975	2.9
78.63094	1.7
79.05477	4.9
81.07040	5.7
88.24033	1.4
91.05494	10.9
93.07053	36.6
93.43271	1.5
95.08595	4.0
98.34927	1.4
105.07008	5.2
107.04948	2.7
107.08607	22.9
109.10172	9.9
111.11734	25.9
115.05444	2.5
117.06940	2.4
119.04900	3.3
119.08578	1.8
121.06509	8.5
121.10231	2.0
122.10953	1.8
123.11720	3.1
128.06200	3.0
129.06995	6.2
130.06561	3.4
131.04938	40.0
133.06456	6.6
135.06783	1.9
135.11708	17.8
137.05940	2.8
138.19958	1.5
141.06979	4.6
142.07776	13.0
143.04948	2.6
143.08617	2.7
144.05710	7.0
145.06509	9.2
146.06012	2.3
147.08037	4.6
152.07106	2.1
155.08571	3.4
157.06480	6.2
157.10153	8.1
158.06079	3.1
158.07274	11.7
159.06796	16.0
159.08080	6.1
161.09567	2.1
164.07088	14.3
169.06476	4.2
170.06018	14.8
170.07303	3.6
171.08067	14.9
173.09627	3.0
176.07091	58.6
178.08624	3.9
183.08015	2.3
185.09634	100.0
188.07104	9.6
190.08702	2.2
192.10158	1.9
197.09608	7.1
199.11264	3.2
202.08675	20.4
204.10191	2.0
212.10718	2.4
216.10158	6.3
218.11842	8.2
230.11804	20.0
241.15916	26.4
253.15953	2.9
284.30118	1.6
286.18054	30.1
294.15451	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	286.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52031	1.6
53.03934	6.6
55.05514	37.8
58.02960	3.3
63.23948	1.7
67.05512	9.5
69.07071	100.0
70.23149	3.7
70.23528	3.8
79.05495	18.9
80.06268	2.1
81.07058	11.4
81.07473	1.7
91.05485	33.6
93.07050	88.8
95.04946	5.7
95.08614	9.4
97.10141	2.1
103.05440	2.4
105.04530	2.0
105.07059	9.1
106.06596	2.9
107.04955	4.1
107.08599	67.5
109.06505	2.2
109.10183	15.0
111.11732	23.9
115.05427	4.3
118.04151	4.6
119.04935	6.7
119.08569	2.9
120.05714	2.4
121.06489	18.6
121.10131	3.8
123.11720	5.0
128.06204	3.6
129.07005	8.2
130.06549	8.6
131.04932	55.3
133.06468	4.7
134.06017	1.8
135.06786	7.4
135.11714	39.6
137.05965	2.6
141.07014	9.9
142.07790	13.4
143.04901	2.0
143.08549	4.6
144.05705	8.9
145.06511	15.3
146.06032	4.3
146.07220	3.5
147.06839	2.5
147.08029	3.1
152.07103	12.6
154.07784	3.6
155.08516	2.5
157.06490	11.5
157.10138	10.2
158.06012	5.4
158.07274	22.0
159.06795	35.7
159.08060	8.7
160.08870	2.1
164.07079	19.0
167.08572	3.5
169.06458	12.6
169.10130	7.9
170.06003	14.0
170.07292	4.4
171.08067	12.9
172.08867	8.1
173.08293	3.0
173.09628	4.6
176.05554	3.5
176.07082	72.7
178.08675	8.0
183.06667	3.0
183.08090	5.6
184.07512	4.3
184.08942	3.0
185.09642	78.3
186.09084	4.5
187.09857	2.5
188.07063	19.1
190.08681	4.1
192.10191	5.0
195.08017	1.8
197.09634	32.1
198.09061	3.6
199.11290	3.2
201.11360	2.0
202.08652	32.4
204.10207	6.0
209.31834	2.0
211.11128	3.7
212.10704	5.6
213.11455	5.3
216.10211	12.4
218.11710	12.7
230.11787	33.9
241.15866	25.0
253.15868	10.3
268.17264	2.1
286.07858	3.1
286.18002	36.8
286.27454	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	286.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.7
55.05518	20.3
67.05511	14.8
69.07072	75.0
70.13756	5.8
70.14162	5.7
70.21097	3.0
75.31596	2.5
79.05479	10.0
81.07055	11.6
90.83764	2.4
91.05482	33.2
93.07049	84.1
95.04959	5.6
95.08600	11.5
97.10152	6.2
105.07025	11.5
107.04935	6.3
107.07883	4.7
107.08597	72.3
108.48537	2.5
109.06525	2.5
109.10149	15.2
111.11727	14.0
113.35356	2.4
115.05453	3.2
117.07008	3.2
119.04930	9.1
119.08557	7.4
121.06510	19.0
121.10181	3.8
128.06288	3.3
129.07016	8.0
130.06525	3.9
131.04942	33.3
131.08502	3.6
133.06509	24.5
135.06853	3.0
135.11694	59.5
137.05939	3.3
141.07001	6.0
142.07797	12.2
143.08553	4.3
144.05717	9.5
145.06506	15.1
145.10162	2.8
147.08040	19.8
155.08583	8.3
157.06473	10.3
157.10149	11.3
158.06009	4.1
158.07242	12.8
159.06786	8.3
159.08060	32.2
160.08810	4.4
161.09619	6.0
164.07085	14.5
167.08551	3.6
169.06488	4.2
170.05978	6.5
170.07253	6.2
171.08037	17.1
172.08807	3.6
173.09651	21.2
176.07091	35.3
178.08617	4.9
185.09641	82.5
185.11288	4.8
186.09146	5.0
188.07062	6.9
192.10225	4.9
197.09674	5.2
199.11128	14.8
202.08650	11.7
204.10269	6.2
216.10248	6.2
218.00740	2.7
218.11757	28.4
223.14714	3.6
230.11789	9.6
241.15877	100.0
286.18002	11.2
295.10040	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	286.1778
Annotation	Pro Gly Ile
Peak:m/z	Relative Intensity
70.91310	0.4
70.91659	0.7
79.49712	0.4
93.53376	0.4
94.39238	0.4
106.88327	0.4
112.23176	0.4
130.09341	0.5
152.20679	0.4
163.22263	0.4
164.46574	0.4
179.09160	2.3
270.91183	0.5
286.17795	100.0
287.18179	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	286.1801
Annotation	Cocculidine
Peak:m/z	Relative Intensity
53.03933	4.0
55.05518	11.0
57.07062	1.7
58.02953	2.7
58.06587	1.2
65.03939	2.0
67.05484	4.0
69.06734	1.7
69.07076	26.2
69.67725	5.2
70.06593	1.1
72.08144	2.4
79.05499	8.5
81.07050	4.2
91.04980	1.3
91.05487	13.6
93.07053	44.2
95.04967	3.7
95.08613	5.0
97.10157	3.2
105.07029	4.5
106.06535	1.0
107.04976	4.9
107.08603	39.9
109.06509	1.7
109.10121	3.9
111.11705	5.2
112.68400	0.9
115.05468	1.2
118.06499	1.2
119.04943	2.2
119.08537	2.6
121.06515	6.1
121.10153	2.4
123.11677	3.0
130.06522	3.2
131.04939	15.7
132.10170	1.5
133.06491	1.6
134.06024	1.3
135.06834	5.7
135.11713	27.7
137.05980	1.5
141.07056	2.4
142.07806	2.3
143.08617	1.2
144.05734	1.7
145.06476	6.0
146.05991	1.4
146.07201	2.1
152.07065	6.7
157.06520	2.4
158.06024	1.5
158.07277	4.2
159.06841	7.9
159.08000	1.7
160.08789	1.6
164.07100	7.3
169.06424	2.0
169.10178	1.9
170.06033	3.7
171.08112	2.5
172.08864	3.1
173.09648	2.0
176.07071	14.0
178.08641	2.9
185.09663	16.5
186.09108	2.8
188.07111	5.5
190.08723	3.0
192.10181	2.9
197.09665	5.6
201.11472	1.5
202.08710	6.2
204.10252	3.0
211.11163	1.3
212.10512	1.2
213.11418	1.3
216.10234	3.4
218.11792	11.4
230.11768	9.9
233.60934	1.1
233.99266	1.1
241.15866	4.1
243.24776	1.3
253.15898	2.3
271.09134	1.4
286.08008	2.0
286.11478	5.2
286.17816	100.0
286.27310	4.7
287.05502	2.2
292.67685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.144
Annotation	(R,S)-Coclaurine
Peak:m/z	Relative Intensity
52.31049	0.2
53.03948	0.5
69.66783	1.5
77.03944	0.3
79.05507	0.9
91.05488	1.2
95.04930	0.5
96.85840	0.3
103.05471	0.7
103.52541	0.3
105.04502	0.3
105.80987	0.3
107.04967	100.0
115.05464	5.6
117.07029	1.2
119.04929	0.6
121.06528	1.4
131.04942	1.9
137.05997	7.3
143.04933	10.7
144.05727	0.9
145.06494	6.0
145.07521	0.5
147.08012	0.4
151.07568	2.1
155.06046	0.8
160.05226	3.4
162.06804	0.6
163.07561	2.5
165.06993	0.8
166.07822	1.3
175.07567	13.5
178.08653	1.6
181.06532	1.1
181.10133	1.2
190.07803	0.9
191.08603	3.2
194.07298	4.2
195.08041	0.7
209.09641	9.1
218.07138	0.4
219.08006	1.6
222.06805	0.3
226.09770	0.3
237.09132	11.0
238.09888	0.4
239.07155	0.6
240.07953	0.3
254.09419	3.2
269.11761	34.3
270.12177	0.3
283.79919	0.4
286.14410	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	286.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05520	1.8
56.96571	2.6
57.03442	1.1
57.07075	0.6
59.05003	2.3
61.02936	5.9
69.03434	1.8
70.06595	9.7
70.56157	1.0
70.56484	1.0
71.04991	5.6
71.77760	0.6
72.08160	1.2
73.02912	1.0
75.61699	0.5
75.63988	0.6
75.95280	0.5
79.05503	1.7
81.07065	11.7
82.05338	1.9
83.06110	10.2
84.03593	0.5
84.04477	0.7
84.08155	1.6
85.02911	3.4
87.08118	1.4
90.53532	0.5
93.04520	5.9
95.06097	16.2
95.06709	1.0
97.02922	1.5
98.97583	6.1
99.08083	0.8
107.06087	2.2
110.07175	100.0
110.36561	0.6
110.97577	1.0
111.05542	0.9
112.07623	8.0
112.08725	2.9
113.09638	0.7
116.07118	0.8
116.98660	1.6
121.07661	2.0
124.03963	2.8
124.07624	1.4
127.03928	0.7
130.08661	0.7
136.08736	0.9
139.04996	0.8
140.07080	6.1
140.84167	0.7
143.00142	1.0
153.04095	0.7
156.03304	0.9
156.07692	15.1
158.99648	1.3
163.03912	2.9
163.12315	55.1
166.06129	1.7
177.00772	0.8
186.04442	2.2
190.13434	9.1
191.04005	0.8
193.13367	1.2
204.05394	1.0
208.14464	11.8
210.15962	1.0
212.15282	1.0
219.01906	0.8
219.11349	1.8
236.13959	9.0
237.02927	0.7
239.25844	0.6
240.17062	8.2
241.15384	0.9
242.18665	0.8
254.15009	21.4
254.17628	1.3
268.16528	0.9
286.17627	96.7
297.51224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2215
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03931	4.1
55.01864	2.9
55.05510	19.4
59.28410	3.1
65.03934	3.2
66.09566	3.0
67.05515	24.5
69.07079	55.5
71.01955	5.1
71.04979	4.0
74.28600	3.3
79.05499	14.6
81.07071	41.3
82.44263	3.1
83.04984	7.1
83.08617	8.4
91.05474	18.2
93.07057	40.7
95.05004	14.7
95.08617	40.5
96.99583	3.1
97.06537	22.8
97.10165	8.8
99.08069	4.1
105.07043	79.6
105.07696	6.2
107.08599	45.8
109.06541	29.1
109.10172	32.0
111.08086	7.7
111.60038	3.6
117.07022	9.1
119.08594	92.5
121.06505	12.6
121.10140	34.3
123.08072	4.8
123.11726	18.5
131.08585	12.6
133.10139	55.0
135.08095	10.7
135.11702	18.5
136.13290	3.2
137.09610	7.3
137.13214	4.2
143.08589	8.1
145.10117	21.3
146.07272	13.4
147.11684	19.4
149.09612	4.0
149.13202	3.3
155.08589	3.9
156.09357	3.8
157.10168	12.7
159.11772	10.8
161.09631	100.0
161.13284	8.5
163.14838	4.4
169.10126	6.3
171.11748	6.1
173.13266	6.9
174.09775	3.1
175.11191	5.4
175.14836	65.5
177.16399	11.9
183.11662	8.1
185.13293	13.3
186.99332	3.4
187.14905	5.5
189.16426	6.0
193.15942	10.8
197.13268	8.1
199.14766	5.9
201.16377	4.0
205.15959	3.0
211.14844	13.4
231.54871	3.4
242.05789	15.4
267.21094	11.9
270.05197	5.2
285.07617	40.4
285.22061	25.5
285.29654	3.7
285.33228	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	285.1699
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03948	3.5
55.01871	1.9
55.05514	7.1
57.03447	6.7
65.03941	1.1
67.05515	12.5
69.03444	1.6
69.07062	4.0
69.46255	3.3
69.46694	2.9
71.04993	2.3
71.41299	0.8
79.05502	11.8
81.03428	100.0
81.07063	12.8
83.04970	4.4
83.08157	1.3
83.08632	22.6
85.02908	5.9
91.05492	17.1
93.07054	7.0
95.04982	27.5
95.08612	5.4
97.02898	2.6
97.06538	1.4
97.10176	1.7
98.21503	1.6
99.04481	1.0
105.07037	10.7
107.04966	5.5
107.08609	4.0
109.06537	3.4
109.10167	3.0
111.04484	1.8
111.08097	11.7
115.05471	1.7
117.06991	1.5
117.09559	0.8
119.04967	1.3
119.08584	11.4
121.06498	1.9
121.10183	5.7
123.08114	1.4
123.11714	1.1
129.07011	7.0
130.42374	0.9
131.08592	8.5
133.06487	3.2
133.10156	4.2
135.04390	1.9
135.11757	1.1
137.09642	1.7
141.76581	0.8
142.07806	2.2
145.10103	1.8
147.08084	2.8
147.11723	7.1
149.09608	4.0
157.10127	9.9
163.03960	0.9
163.11234	1.0
165.12796	2.1
175.11192	13.7
180.97899	1.0
193.12265	56.6
209.62796	1.0
211.13281	12.0
221.05991	1.1
225.09090	2.0
242.05954	1.1
253.08638	3.1
257.07938	1.0
267.13867	0.7
267.15970	20.1
285.04013	2.1
285.07367	11.6
285.11349	2.8
285.17136	8.5
285.22116	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.05516	5.4
57.03442	3.2
57.07088	1.6
65.03983	1.5
67.05509	8.1
69.07079	7.6
70.06603	1.5
71.03388	2.3
71.05000	2.5
72.08157	2.3
79.05509	9.0
81.03426	7.8
81.07067	14.2
83.04993	2.3
83.08615	2.6
85.02915	2.5
85.97786	1.0
91.05485	15.9
93.07056	26.7
95.04974	5.1
95.08627	7.0
97.02948	1.5
97.06534	8.3
98.98461	1.2
105.03398	1.1
105.07034	7.9
107.04964	3.9
107.08605	22.8
109.06547	3.4
109.10168	10.4
110.10518	2.3
112.77579	1.0
115.05443	7.2
117.07034	18.6
119.08585	6.7
120.04475	5.1
121.06510	3.5
121.10148	4.1
123.08038	1.8
123.11707	2.5
128.06221	1.1
129.07013	6.1
131.04987	1.6
131.08560	2.8
133.06496	3.0
133.10149	1.9
135.08057	1.5
135.11705	12.7
139.84756	1.0
141.06970	1.5
142.07733	1.6
143.08597	1.9
145.06500	100.0
147.08060	15.5
147.11720	4.0
149.09538	1.7
151.11209	1.2
153.07028	1.4
155.08562	1.7
157.06526	4.0
157.10175	2.8
159.08034	3.9
161.06010	2.6
161.09584	1.8
163.07545	2.1
165.07034	1.7
165.12749	1.4
167.08519	1.1
169.06479	1.9
169.10185	2.0
171.08081	3.8
175.11252	2.4
183.08093	3.8
183.11655	1.3
185.09627	15.6
187.07581	1.2
187.11261	2.1
189.05498	1.9
189.09090	2.6
189.12762	1.7
193.12279	7.3
197.09653	2.4
199.11172	2.8
201.09096	1.8
203.10718	2.3
211.11192	8.3
211.13306	3.8
213.12732	1.4
221.06039	1.4
225.09152	3.2
225.12758	2.3
227.14284	4.0
239.14308	1.2
242.05707	5.5
242.08061	0.9
253.08717	5.0
254.09552	1.6
267.17661	6.8
267.21548	1.5
270.05362	2.3
270.08572	2.3
285.07584	25.5
285.11066	9.4
285.16870	3.9
285.18527	5.0
285.22076	2.2
285.29843	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03960	3.9
55.01870	2.2
55.05513	6.8
57.03445	5.2
57.53952	0.7
62.95847	0.7
67.05511	12.7
69.03429	2.3
69.07076	2.1
71.05003	1.9
71.06931	0.8
79.05492	10.0
80.44083	0.7
81.03424	100.0
81.07068	10.7
83.04994	5.6
83.08627	19.7
85.02921	4.0
87.28987	0.7
91.05489	14.6
93.07045	7.9
95.04981	24.5
95.08619	3.1
97.02905	4.5
97.06536	1.7
97.10177	1.4
98.97627	1.2
101.10289	0.7
105.07043	11.6
107.04951	6.0
107.08624	3.0
109.06530	2.0
109.10195	1.5
111.04508	1.8
111.08088	9.9
115.05433	1.7
117.07036	1.2
119.04964	0.8
119.08588	9.4
121.06498	1.6
121.10150	4.9
123.08054	0.9
123.11741	0.8
129.07016	8.1
131.08572	6.9
133.06514	3.9
133.10130	3.7
137.09622	1.3
142.07838	2.3
145.10124	1.7
147.08125	2.2
147.11703	7.4
148.01413	0.7
149.09644	4.9
157.10132	10.8
162.30742	0.7
165.01907	1.1
165.12750	1.2
175.11217	13.3
182.03424	2.1
191.03922	0.9
193.12259	56.4
201.05569	1.0
209.13210	0.8
211.13313	6.7
221.05991	0.9
229.05049	2.2
242.05769	1.8
253.03644	1.1
253.08656	1.6
257.04568	1.3
264.07648	1.1
267.15979	16.6
270.05258	1.2
285.04031	5.8
285.07535	10.7
285.10928	1.2
285.16867	5.7
285.22122	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68230	0.2
50.93203	0.1
53.03945	0.4
55.05491	0.1
58.06612	1.3
65.03938	0.3
67.05504	0.2
69.03416	0.2
70.04442	0.3
70.04817	0.2
77.03927	0.2
79.05497	2.0
81.07056	0.3
85.02911	0.3
91.05486	4.4
93.07076	0.3
93.50178	0.2
95.04983	0.3
95.08611	0.3
105.03416	0.4
105.07037	0.3
106.04194	0.3
106.06562	7.0
107.04942	0.3
109.02866	0.2
109.06511	0.8
109.10187	0.2
116.04986	5.4
119.06075	0.4
121.06503	1.2
131.04861	0.2
132.04472	0.5
133.06535	0.2
134.06023	100.0
135.06340	0.3
137.09647	0.2
145.06577	0.2
145.10234	0.2
152.10715	1.3
161.06030	0.2
165.06987	0.4
172.87569	0.2
182.07274	0.3
185.29016	0.2
188.76317	0.2
189.09033	0.2
197.09792	0.2
210.06775	0.3
225.09178	0.6
230.89299	0.2
242.05682	0.8
253.08681	1.3
270.05298	0.2
285.07635	2.8
285.11096	1.1
285.16003	4.9
285.22031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Botryaloic acid
Peak:m/z	Relative Intensity
53.03940	3.4
55.01865	2.8
55.05517	5.7
57.03451	5.2
65.03942	1.0
67.05515	11.8
68.99791	1.6
69.03416	2.9
69.07066	2.0
70.39294	2.3
71.04983	1.6
72.08151	0.9
74.28204	1.0
76.89318	0.8
79.05499	11.6
81.03426	100.0
81.07069	9.9
83.04989	5.4
83.08630	18.5
85.02887	2.5
91.05486	11.9
93.07056	6.8
95.04979	25.5
95.08600	2.7
97.02878	3.5
97.06542	2.2
99.08105	1.1
105.07041	11.3
107.04987	5.2
107.08588	3.6
109.06513	2.9
109.10118	1.5
111.04430	1.2
111.08087	11.9
115.05511	1.4
117.07015	1.2
119.04916	2.6
119.08591	9.1
121.02883	2.5
121.06543	1.3
121.10175	4.7
123.08070	2.0
129.07019	6.5
131.08578	8.1
133.06462	3.6
133.10126	3.3
137.09645	1.2
142.07790	1.9
145.10153	1.6
147.08063	2.5
147.11684	5.8
149.09644	4.7
150.05557	2.0
157.10143	9.6
161.06010	1.3
165.01862	2.5
165.12798	2.0
166.02185	2.1
167.02438	2.6
171.11549	0.9
175.11188	12.4
185.03452	0.9
193.12251	54.7
211.13322	6.1
214.17964	1.1
225.09067	2.0
227.67926	1.0
229.04951	1.9
239.06987	1.0
241.16284	3.9
253.08694	4.9
253.10892	1.0
256.06836	2.5
257.07629	1.1
267.06549	1.8
267.15939	16.5
284.06372	6.7
285.03775	4.4
285.07117	42.0
285.11050	2.4
285.16403	1.8
285.18936	4.1
286.07410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.4
67.05500	0.4
69.07069	1.2
71.48220	0.3
81.03395	0.5
81.07050	0.7
105.07024	0.4
115.05461	0.3
117.07024	0.3
128.06178	0.4
129.06972	0.8
130.21175	0.3
131.08589	0.4
133.06566	0.3
141.06960	1.3
142.07791	0.4
143.08559	1.2
145.06430	0.4
152.06154	0.8
153.06999	2.1
154.07462	0.6
155.08588	2.3
157.06505	1.0
158.07307	1.6
159.08134	0.4
165.07014	4.1
166.07771	1.0
167.04926	0.4
167.08589	2.3
168.05707	0.7
169.06477	1.1
169.10133	1.1
170.07312	0.9
171.07977	1.2
173.09639	1.4
174.06685	0.4
175.07497	0.5
177.09178	0.6
178.07761	0.6
179.08551	1.9
180.05681	0.7
180.09372	1.9
181.06490	6.7
181.10110	1.3
182.07219	5.7
182.10892	0.7
183.08017	2.7
184.05116	0.4
184.08620	0.5
185.05878	0.5
185.09589	0.6
186.06786	1.4
187.07579	1.2
189.09114	0.6
191.08583	0.9
192.09334	1.8
193.06578	0.7
194.07298	2.2
195.08044	3.3
195.11723	4.9
196.05151	1.4
196.08707	0.5
197.05997	2.6
197.09610	1.3
197.13295	1.3
198.06511	3.9
199.07384	6.3
200.08392	0.7
201.09100	8.2
202.09901	0.3
205.06482	0.3
206.07202	0.5
207.08040	0.7
207.11678	2.3
208.08838	1.6
209.05807	1.0
209.09610	2.2
210.06747	4.6
210.10265	0.6
211.07542	22.0
211.10989	0.7
212.04648	0.8
212.08257	2.1
213.09122	4.9
214.09671	1.7
215.10608	0.5
217.08582	0.8
217.12289	0.3
219.08063	0.7
220.08882	1.0
221.09549	0.6
223.07680	0.7
223.11188	10.1
224.08286	1.2
224.11836	0.3
225.09108	20.5
225.12390	2.3
226.06137	2.0
226.09808	2.2
227.06920	15.1
227.10358	1.9
228.07413	0.6
228.11462	0.4
229.08563	2.9
229.12209	0.5
235.11186	2.6
237.05183	0.3
237.09126	1.1
237.12775	0.9
238.06201	0.4
238.09901	0.4
239.07051	17.1
239.10760	1.3
240.04274	0.4
240.07703	0.7
240.11438	2.8
241.08554	7.4
241.12277	1.1
242.08980	25.1
243.10181	0.5
243.13724	0.9
252.07664	0.3
252.11475	0.9
253.08607	9.0
253.12251	1.1
254.09399	41.2
255.06560	9.7
255.09946	0.9
255.13815	14.8
257.11581	0.4
257.15378	3.2
264.95129	0.4
267.13782	3.2
269.08063	1.8
270.08640	32.1
285.11075	100.0
285.14801	29.9
286.11438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01670	3.5
55.01968	15.8
55.05306	3.5
55.05605	16.0
57.06873	1.3
57.07177	4.2
58.06689	0.5
60.08261	3.2
67.05224	0.7
67.05609	4.6
69.06758	3.6
69.07173	24.7
69.84023	1.6
69.84434	1.0
71.08733	1.9
72.07822	1.8
72.08266	13.2
79.05608	3.0
80.67197	0.5
81.06651	0.9
81.07181	4.9
83.05044	0.5
83.08189	1.9
83.08736	16.2
85.06615	0.9
85.10292	1.3
85.75266	0.6
93.07167	3.4
95.08738	7.0
97.06543	2.5
97.09621	0.8
97.10293	12.1
99.08199	0.9
105.07137	0.8
107.08724	2.5
109.10176	3.9
109.10918	0.4
111.08224	1.6
111.11739	4.1
121.10154	6.2
123.11801	0.6
135.11829	2.1
139.11292	0.7
141.23819	0.5
171.71556	0.6
177.16513	1.4
195.17464	23.5
202.08723	0.5
245.50195	0.5
266.24808	100.0
267.25250	1.0
284.09979	0.9
284.16403	1.2
284.26279	3.0
284.29797	1.4
284.33102	21.4
285.07428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.2
52.03143	0.2
52.18217	0.2
53.03941	1.9
55.01871	2.4
55.05511	14.5
56.05033	0.3
57.03443	0.6
57.05809	0.3
57.07073	0.9
58.06594	0.2
63.83196	0.2
65.03933	0.9
67.05505	33.9
69.03417	1.5
69.07068	9.6
69.35921	1.5
70.06594	3.5
71.07365	0.3
71.08635	0.4
71.96846	0.2
72.08157	43.6
73.02924	0.4
77.03931	0.2
79.05495	25.0
80.05032	0.2
81.03420	6.0
81.07058	37.9
82.06599	0.2
82.07395	0.2
83.04987	3.6
83.08141	0.3
83.08623	5.4
84.08137	0.2
85.02903	0.3
85.06536	1.8
86.09711	0.4
91.05482	9.3
93.03380	0.3
93.07046	32.8
94.06575	0.2
95.04975	5.5
95.08608	26.2
96.04530	0.2
96.08136	0.2
97.06530	2.0
97.10160	0.7
98.06065	1.9
99.04489	0.5
99.08101	0.5
100.07672	0.2
101.06016	0.2
103.05489	0.4
105.04535	0.5
105.07032	4.2
107.04964	4.8
107.08598	23.2
108.08094	0.2
109.06522	2.4
109.10159	14.1
110.06049	0.3
110.09669	0.3
111.04438	0.6
111.08090	2.1
112.07623	1.2
113.06007	0.3
114.09161	0.5
115.05489	0.3
116.07086	0.2
117.07018	4.2
118.15639	0.2
119.06083	0.2
119.08588	2.4
121.06509	4.3
121.10145	7.5
123.08072	0.5
123.11695	0.6
124.07584	0.2
125.06001	0.5
126.09173	0.4
127.04022	0.2
127.07565	0.3
129.06996	0.2
131.08565	3.3
133.10129	4.7
134.09674	0.2
135.08069	2.0
135.11697	9.1
136.11220	0.2
138.09151	0.4
139.07539	0.7
139.09879	0.5
140.07059	0.3
140.10725	0.3
144.09320	0.4
147.11682	0.5
149.09628	0.7
149.13260	25.8
151.11186	1.1
151.14813	0.6
152.10695	0.6
153.09096	0.2
153.12715	0.3
154.12190	0.3
157.08580	0.7
157.10046	0.2
159.11697	5.1
167.14366	0.2
173.57164	0.2
177.12755	7.2
179.03316	0.2
180.13860	0.3
182.11754	0.3
192.13873	0.4
195.13826	1.4
206.15437	0.3
218.19179	0.4
220.20663	0.5
222.18530	0.4
223.08617	0.6
248.20100	35.1
249.20468	0.3
266.21149	35.3
267.21335	0.3
284.22198	100.0
285.22495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47571	0.7
53.03937	2.2
55.01859	1.1
55.05268	1.0
55.05514	10.8
58.06594	0.7
63.17702	0.6
65.03949	1.2
67.05511	45.4
69.03446	1.7
69.07073	8.0
70.06590	1.3
70.83149	1.7
71.07364	1.2
72.07761	1.4
72.08160	26.2
77.03890	1.0
79.05499	27.2
81.03422	4.7
81.07063	43.3
83.04978	2.0
83.08624	3.9
85.06538	1.0
91.05486	8.5
93.07050	35.5
93.93479	0.7
94.69508	0.7
95.04959	2.6
95.08061	1.2
95.08620	10.4
97.06543	1.5
98.06044	0.8
99.08086	1.0
105.07036	3.7
107.04948	1.8
107.08606	25.4
109.06512	2.7
109.10162	13.3
111.08044	0.7
117.07027	4.0
118.72849	0.8
119.08561	2.3
121.06525	1.6
121.10149	9.0
123.08072	1.5
131.08559	3.3
133.10129	3.5
135.08069	1.2
135.11719	5.1
139.09908	2.1
149.12199	1.1
149.13286	14.1
159.11703	3.0
159.36919	0.7
161.56274	0.7
173.44638	0.7
176.04305	1.1
177.12785	3.7
216.88046	0.7
248.20120	100.0
266.21179	65.9
284.22205	11.5
284.29535	2.1
285.07571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35858	0.2
53.03948	1.5
55.01877	2.4
55.05517	12.3
56.05019	0.2
57.03439	0.7
57.07082	0.8
58.06604	0.2
59.05005	0.2
60.44377	0.2
61.02943	0.2
65.03955	1.0
67.05511	31.8
69.03436	1.3
69.07076	7.9
69.70835	0.2
70.06245	0.3
70.06596	3.1
70.06956	0.2
70.20929	0.8
71.07380	0.3
71.08640	0.4
72.08163	38.8
73.02921	0.2
77.03941	0.4
79.05500	22.0
81.03428	6.0
81.07064	34.3
83.04546	0.1
83.04991	3.3
83.08627	4.4
83.09120	0.3
84.04488	0.2
84.08177	0.3
85.06561	1.7
86.09727	0.4
91.05487	7.4
93.03458	0.2
93.07053	29.5
95.04983	4.7
95.08614	23.1
96.04512	0.2
97.06544	2.0
97.10166	0.7
98.06072	1.8
99.04492	0.4
99.08047	0.3
103.05476	0.3
105.04554	0.3
105.07043	3.9
107.04967	4.0
107.08604	22.2
108.08142	0.4
109.06531	2.0
109.10167	13.8
110.06121	0.4
110.09698	0.3
111.04459	0.5
111.06873	0.2
111.08087	1.9
112.07614	0.9
113.06026	0.3
113.09641	0.2
114.09227	0.5
115.05502	0.2
117.07038	3.6
119.06117	0.2
119.08599	2.3
121.06518	3.7
121.10151	6.8
122.09668	0.2
123.08089	0.9
123.11700	0.5
124.07584	0.2
125.06011	0.5
126.09196	0.3
127.07526	0.2
129.07062	0.5
130.07834	0.2
131.08582	3.4
133.10144	4.1
135.08086	2.1
135.11707	9.1
137.09619	0.2
138.09172	0.5
139.07567	0.6
139.09952	0.4
140.10768	0.6
144.09373	0.3
147.11693	0.5
149.09645	0.7
149.13271	23.1
150.05479	0.3
151.11188	0.7
151.14825	0.5
152.10735	0.8
153.09076	0.3
153.12747	0.4
154.12277	0.3
157.08604	0.6
159.11700	5.5
177.11208	0.4
177.12762	6.7
180.13855	0.5
181.49359	0.2
182.11908	0.2
192.13695	0.2
195.13829	1.2
206.15549	0.2
217.06540	0.2
218.18958	0.3
220.17014	0.2
220.20650	0.5
223.08594	0.4
248.20123	32.5
266.21164	33.4
267.21515	0.2
284.22217	100.0
285.22549	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.05514	6.4
57.07080	15.1
60.92662	0.3
65.03944	0.4
67.05509	14.0
69.03433	0.7
69.07075	9.9
70.06595	2.3
72.08146	1.0
74.06100	1.0
74.09719	1.3
76.14966	0.3
76.71638	0.3
79.05490	2.4
81.07064	74.7
83.04990	1.0
83.08633	2.9
85.06552	0.5
91.05486	1.1
91.11322	0.3
93.07053	4.7
95.04978	2.1
95.08616	24.7
97.06540	0.6
97.10160	1.0
98.06065	20.0
100.07603	0.8
105.07050	1.6
107.08586	1.0
109.06523	1.8
109.10188	1.9
112.07621	1.8
113.09644	0.4
121.10147	1.0
123.11719	100.0
125.13244	1.0
126.12815	1.5
130.12309	1.3
133.10179	1.9
140.10696	1.8
141.12764	6.8
151.11191	6.2
154.12267	3.9
168.13847	1.5
169.12265	8.2
175.03967	0.9
176.04297	1.4
183.13826	7.2
187.13326	0.7
189.96117	0.3
211.13385	0.6
215.98286	0.4
224.20120	4.8
229.14368	11.5
242.21165	28.2
254.91916	0.4
284.16589	4.7
284.22226	51.7
284.29099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2223
Annotation	Tumonoic acid D
Peak:m/z	Relative Intensity
53.03951	1.9
55.01874	2.5
55.05518	13.1
56.05054	0.2
57.03443	0.8
57.05824	0.2
57.07083	0.8
65.03943	1.0
67.05511	33.0
69.03435	1.2
69.07076	9.0
70.06597	3.3
70.20642	0.6
71.07366	0.4
71.08638	0.3
72.08163	39.5
74.09751	0.2
77.03928	0.4
79.05502	21.2
81.03428	6.1
81.07066	34.1
83.04987	3.5
83.08628	4.8
85.02845	0.2
85.06544	1.5
86.09715	0.6
91.04899	0.3
91.05489	8.4
93.07053	31.6
94.06615	0.2
95.04984	5.1
95.08616	24.2
96.04507	0.3
96.08147	0.4
97.02902	0.2
97.06536	1.5
97.10169	0.8
98.06070	2.3
98.20851	0.3
99.04463	0.4
99.08102	0.3
103.05480	0.3
105.04513	0.6
105.07040	3.9
107.04970	3.8
107.08606	21.8
109.06528	2.5
109.10165	13.7
110.09705	0.3
111.04478	0.6
111.08103	2.0
111.10449	0.2
112.07609	0.9
113.09681	0.2
114.09171	0.3
115.05454	0.3
117.07027	4.0
119.08592	2.1
121.06515	3.9
121.10152	6.9
123.08085	0.7
123.11739	0.4
124.07579	0.2
125.06013	0.4
126.09156	0.6
131.08580	3.5
133.10143	4.8
135.08073	2.0
135.11710	8.4
138.09132	0.4
139.07561	0.7
139.09978	0.5
140.07068	0.4
140.10732	0.4
144.09390	0.2
147.11687	0.6
149.09608	0.5
149.13275	23.9
151.11220	0.7
151.14867	0.5
152.10724	1.0
153.09277	0.2
153.12717	0.3
154.12202	0.2
157.08627	0.6
159.11702	4.8
167.14349	0.3
177.11212	0.4
177.12762	6.9
182.11739	0.5
194.15466	0.2
195.13786	1.3
206.15260	0.2
218.19086	0.4
220.20541	0.5
222.18568	0.2
242.03343	0.2
248.20123	33.9
249.20427	0.2
266.21176	31.6
267.21436	0.2
284.22223	100.0
285.22458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
56.05028	0.3
57.07073	0.3
57.27034	0.3
59.03913	0.3
67.03907	0.4
67.05501	1.2
69.07053	1.1
69.29960	2.9
70.02952	1.2
70.06627	0.3
79.05499	2.0
79.24130	0.4
81.03408	1.0
81.07052	1.5
82.06570	0.6
83.05005	0.4
83.08633	0.7
88.03990	0.8
91.05483	0.4
93.07058	4.9
94.06613	0.4
95.04975	0.3
95.08614	2.2
96.08144	0.6
105.07040	0.8
107.08600	2.5
108.07435	0.6
108.08131	8.6
109.08920	0.5
109.10161	0.7
111.08063	0.4
116.03455	0.6
118.05090	0.6
119.08584	0.8
120.07974	0.3
121.10151	0.4
122.09685	6.5
123.10484	1.0
123.11750	0.5
133.10130	0.7
135.11716	3.6
136.11232	2.5
137.13255	0.9
140.10681	0.3
142.04921	0.4
146.70956	0.4
148.11235	0.5
150.12798	11.1
150.56723	0.3
151.13586	6.8
151.14716	0.4
152.10768	0.5
153.18190	0.3
164.14357	1.3
166.12248	0.6
166.15959	1.1
168.06564	1.3
172.09720	0.5
175.97755	0.3
176.14363	0.5
178.15918	5.0
180.10287	0.6
184.09744	0.5
186.11232	1.0
191.34488	0.4
192.13986	0.3
193.12212	0.4
194.15479	3.2
196.09752	0.6
197.43968	0.3
198.11215	0.6
210.11279	1.4
210.14932	3.2
212.16431	0.4
222.14951	0.7
238.14407	1.0
240.15970	100.0
241.16319	0.8
242.17519	1.5
266.17557	1.3
275.51901	0.3
284.06451	1.5
284.18585	72.8
285.18857	0.6
305.07779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1859
Annotation	Amabiline
Peak:m/z	Relative Intensity
50.60230	0.3
50.89177	0.3
53.78354	0.3
55.05510	1.3
57.07079	0.4
67.05499	1.0
68.05025	0.3
69.07058	1.2
69.44765	0.3
70.02956	2.1
70.26289	1.1
72.04511	0.4
75.51254	0.3
79.05490	1.7
81.03414	0.5
81.07092	1.7
82.06586	0.7
83.08604	0.8
88.04024	1.4
90.05566	0.4
91.05497	0.7
93.07048	4.2
94.06587	0.6
95.04935	0.5
95.07333	0.5
95.08620	2.0
96.08147	0.6
98.06067	0.4
102.05494	0.3
104.01252	0.3
105.07041	0.7
107.04957	0.8
107.08612	2.5
108.05301	0.6
108.08131	7.9
109.08878	0.6
109.10181	0.5
110.06062	0.4
110.09694	0.9
112.07621	0.5
116.03437	0.9
116.38979	0.3
118.05050	0.8
118.57946	0.3
119.08599	0.8
120.08144	0.3
122.09685	6.3
123.10443	1.4
123.11742	0.6
124.11185	0.5
133.10135	0.6
134.09688	0.5
135.11690	3.7
136.11230	2.6
137.13260	0.7
138.09178	0.4
138.12849	0.4
140.10696	0.9
150.12793	8.8
151.12433	0.5
151.13577	7.0
152.10750	0.7
164.11853	0.3
164.14389	1.3
166.12286	1.0
166.15910	1.0
168.06572	1.2
172.09691	0.5
176.14330	0.7
178.15938	4.0
179.14250	0.5
180.10176	0.8
183.08905	0.4
186.11298	0.9
188.21126	0.3
192.13841	0.5
193.12288	0.3
194.15399	2.9
196.09651	0.7
198.11359	0.4
208.13489	0.3
210.11322	1.9
210.14867	3.2
211.12033	0.7
212.16446	0.3
217.06427	0.5
222.14943	0.5
238.14368	0.9
240.15971	100.0
241.16336	0.6
242.17509	4.5
254.17468	0.4
266.17294	0.3
284.06540	1.2
284.18591	72.4
285.18921	0.8
301.17657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
65.19498	0.4
67.05494	1.4
67.58916	0.3
69.07064	1.3
69.51143	1.5
70.02961	1.8
70.06582	1.3
72.04483	0.4
72.08161	0.6
79.05499	2.6
81.03421	0.8
81.07067	2.3
82.06576	0.8
83.08608	0.7
84.08153	0.7
86.09703	0.6
88.03985	0.9
89.06047	0.6
91.05480	1.1
93.07051	5.1
94.06568	0.6
95.07299	0.4
95.08617	2.5
96.08169	0.4
105.07029	0.9
107.08589	2.2
108.08125	8.3
109.08899	0.6
109.10183	0.7
109.24714	0.3
110.06023	0.7
110.09694	1.3
112.07614	0.7
116.03460	0.4
118.05021	0.7
119.08539	0.7
120.08116	0.4
122.09684	7.2
123.10440	1.1
123.11761	0.4
124.11253	0.7
133.10158	0.4
134.09634	0.6
135.11681	3.5
136.07556	0.3
136.11232	2.3
137.13252	0.8
137.14281	0.3
139.07550	0.4
140.07010	0.3
140.10715	1.1
148.11211	0.5
149.12196	0.3
150.12793	10.0
151.13580	6.5
152.10721	0.4
153.12808	0.4
153.15150	0.3
164.14421	1.5
166.12320	0.7
166.15907	1.0
168.06581	1.4
170.08174	0.5
172.09727	0.4
176.14337	0.5
178.15948	4.2
179.14262	0.5
180.10225	0.7
181.12242	0.5
186.11275	1.6
193.12337	0.4
194.15329	2.4
196.09778	0.8
198.11295	0.5
208.13330	0.5
210.11229	2.0
210.14906	2.7
211.12091	0.7
212.12901	0.4
212.16495	0.4
238.14445	0.8
240.15967	100.0
241.16316	0.6
242.17567	4.7
284.18591	66.0
285.18970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1647
Annotation	Buflavine
Peak:m/z	Relative Intensity
53.03934	2.3
55.01865	1.2
55.05524	5.9
57.07081	4.2
64.81363	0.8
65.03922	1.8
67.05511	32.4
69.03425	1.1
69.07076	6.7
70.06580	1.4
71.18817	1.2
71.19141	0.8
72.08145	2.0
75.58189	0.8
79.05502	8.3
81.07074	10.1
81.76260	0.9
83.08620	3.9
87.65672	0.8
91.05480	6.9
93.07065	4.4
95.04970	2.2
95.08617	26.6
97.06527	0.8
103.05466	3.0
105.03403	30.6
105.04483	1.2
105.07037	8.6
107.04952	1.5
107.08612	10.7
109.10168	43.0
115.05455	1.3
117.07023	1.3
118.06584	1.0
119.04932	1.5
119.08615	4.3
120.05717	2.4
121.06515	88.4
121.10152	9.8
122.06040	47.8
122.06786	1.0
128.06200	1.1
130.06549	0.8
131.04947	10.0
132.05711	1.7
133.06477	2.6
133.10144	8.8
134.07260	1.6
134.10899	2.7
137.05992	1.6
141.06979	2.4
142.07793	2.5
144.05701	4.0
144.08194	1.1
145.06471	3.7
146.06000	3.0
146.07222	1.9
153.07018	0.8
154.07774	1.5
155.04890	1.5
155.08553	3.0
157.06471	1.8
158.07304	6.0
159.06787	1.0
159.08035	1.1
161.08348	1.7
163.07535	3.0
164.07097	11.5
165.07030	2.8
167.08606	1.4
168.08043	1.1
169.06514	12.8
169.10103	1.4
170.06001	1.8
170.07278	8.3
171.08067	2.1
172.08853	1.9
173.08362	1.1
176.07025	1.4
178.08676	19.2
179.08574	2.4
181.06477	1.5
181.08716	1.1
181.10115	1.3
182.07227	2.8
182.09714	1.6
183.08067	19.5
184.08905	12.9
185.09637	1.2
188.07066	9.6
190.08606	2.2
193.10103	2.1
194.07156	1.1
195.08098	4.7
196.08844	1.8
196.17067	0.9
197.09651	13.7
198.10457	6.3
202.08644	13.2
209.09801	5.9
210.09030	10.6
211.11385	9.3
214.08615	3.6
214.12219	0.9
216.10201	10.7
222.89354	1.0
223.11513	1.2
224.10460	3.8
225.13025	7.2
226.08568	1.1
226.13568	7.2
228.07930	1.4
228.10208	26.2
235.11310	1.1
237.12798	1.2
239.14401	3.9
240.10135	1.8
240.15134	7.7
241.08577	1.2
241.10854	1.4
242.11769	23.7
251.14456	6.0
252.10243	2.4
252.13771	4.3
254.11760	1.1
266.15442	2.3
267.16327	3.8
268.40097	0.8
269.08032	2.4
284.06534	3.7
284.10309	4.6
284.16458	100.0
284.29416	4.2
285.07562	1.4
285.16690	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.4
59.60995	1.3
59.91180	1.3
65.03931	2.1
67.05510	54.3
69.07067	5.5
71.15239	1.3
71.52322	2.1
72.08160	8.8
77.03948	1.3
79.05467	4.9
81.06656	1.5
81.07066	18.4
83.08619	2.7
91.05460	8.6
93.07032	5.4
95.08614	7.8
105.07037	13.6
107.08588	7.8
109.10165	100.0
117.06987	2.1
119.08588	7.4
121.06483	5.0
121.10138	6.2
129.06941	2.5
131.04956	10.9
131.08540	1.5
133.06586	2.2
133.10143	12.5
134.10890	5.5
137.05896	1.5
141.07001	2.8
143.08528	1.5
144.05667	4.5
145.06476	5.7
146.06908	1.9
147.08008	1.5
148.01901	1.4
153.07022	2.2
155.08546	4.9
158.07275	4.2
159.08035	2.3
164.07031	7.1
165.01909	1.6
165.06990	1.9
167.07277	2.7
168.05730	2.1
169.06512	4.8
169.10036	1.4
170.05977	3.3
170.07246	4.4
171.08058	2.5
172.08835	6.7
176.07082	4.0
178.08644	3.8
179.08623	1.5
181.06464	3.7
183.08073	26.7
184.08824	4.9
188.07076	11.4
195.08031	3.4
195.11800	1.7
196.08899	1.9
196.16963	7.9
197.05856	2.4
197.09682	9.3
198.06801	3.2
198.08943	1.5
202.08633	8.4
207.08116	1.6
209.09615	3.9
210.06795	3.3
210.09076	1.8
211.09610	2.2
211.11357	3.4
213.08939	1.6
216.10211	22.7
221.09741	2.1
222.10382	1.9
223.11258	2.6
224.10568	2.5
225.12744	6.2
226.06197	5.8
226.13484	3.3
228.10204	19.5
239.14352	10.5
240.07890	1.7
240.15132	2.6
241.08617	23.0
242.11755	4.7
251.14339	15.5
267.16156	2.5
267.24203	2.8
269.08142	12.7
270.58890	1.5
284.06927	2.0
284.10416	35.4
284.16440	51.1
284.23688	2.8
284.26691	3.3
284.29565	7.5
285.07486	1.6
285.11328	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	284.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.7
58.06606	3.0
59.05009	57.3
61.02934	4.9
65.43716	1.0
69.03455	6.6
70.06592	2.2
70.73038	2.7
71.05008	1.2
73.02931	1.2
81.03433	2.3
81.07068	1.4
84.08154	2.1
85.02436	1.8
85.02919	26.2
87.04478	100.0
95.06113	7.6
97.02917	8.1
98.97610	2.2
99.04431	2.3
105.05519	93.9
109.02886	2.8
109.78398	0.9
110.07187	2.6
110.09673	1.6
124.03947	1.0
127.03938	5.1
145.04967	7.2
151.12314	2.0
152.05693	11.0
154.30910	1.1
158.06041	1.6
159.53651	0.9
160.07590	1.4
161.04652	1.5
163.03967	1.7
185.06477	1.2
193.13306	1.8
225.15996	6.6
284.01880	1.1
284.14948	1.2
284.23367	7.6
305.19901	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1282
Annotation	(+)-Graciline
Peak:m/z	Relative Intensity
50.01587	0.1
51.02385	0.5
51.33064	0.1
53.03709	0.2
53.03951	3.8
55.01875	0.3
55.05510	0.3
58.06595	0.2
67.05506	0.3
70.06591	0.3
70.61319	0.3
72.08160	0.4
75.33341	0.1
77.03920	1.0
79.05493	0.3
81.03404	0.3
81.07080	0.3
91.05494	0.5
93.07047	0.8
95.04974	4.1
95.08601	0.6
100.31123	0.1
103.05452	0.1
104.05031	0.2
105.03395	100.0
105.04539	2.6
106.03716	0.4
107.05026	0.1
107.08583	0.3
109.06524	0.1
109.10123	0.1
117.06965	0.1
119.04974	0.2
121.06501	0.3
121.63345	0.1
129.46423	0.1
151.07515	0.5
178.08655	0.6
241.04985	0.2
246.56714	0.1
248.20003	0.7
255.09947	0.2
266.21301	0.6
269.04361	0.3
284.12811	47.4
284.29480	0.4
285.13010	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44917	0.1
51.63155	0.1
52.28935	0.2
55.05506	0.2
57.07053	0.1
60.87918	0.1
67.05491	0.6
69.07070	0.2
71.52321	0.2
71.52745	0.1
72.08147	0.6
79.05499	0.2
81.07059	0.4
82.07400	0.2
85.02898	0.4
90.05029	0.1
91.05475	0.2
93.07069	0.3
95.08594	0.3
105.07016	0.2
107.08572	0.2
109.10159	0.6
110.74988	0.2
116.07136	0.2
119.08571	0.2
121.10088	0.2
131.00110	0.2
143.64278	0.2
152.06197	0.4
153.07010	2.2
155.08591	0.2
156.05774	0.2
157.06442	0.2
165.07002	0.5
167.08502	0.2
168.05721	0.2
169.06519	0.4
170.07278	1.0
171.07922	0.2
180.05731	0.6
181.06480	7.0
182.07297	1.1
183.04439	0.3
183.08092	1.2
184.05240	0.4
185.06113	0.2
185.09634	0.3
195.08038	0.7
196.05211	0.4
196.17053	0.7
197.05983	7.4
198.06783	10.8
199.07668	0.3
208.05394	0.7
209.05984	1.6
210.06770	8.1
211.03821	0.2
211.07562	1.6
212.04759	0.8
212.08360	0.4
213.09113	4.1
223.07550	0.8
224.08327	1.3
225.05507	1.5
225.08926	0.2
226.06261	19.0
227.07050	2.2
236.04721	0.6
237.05373	0.2
238.06215	0.3
239.07100	0.4
239.14171	0.2
240.07834	4.3
241.08601	66.6
242.09012	0.3
251.07060	0.6
254.05763	0.6
254.09467	0.7
255.06499	0.3
256.10483	0.2
260.98535	0.1
263.10400	0.4
267.24350	0.4
268.07346	0.5
269.08099	43.3
270.08774	0.6
284.10440	100.0
284.29550	0.5
285.11014	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07054	0.4
60.69059	0.3
67.05473	0.3
69.07061	0.5
69.23934	2.5
71.67087	0.3
79.05505	0.4
81.07043	0.5
82.07356	0.3
85.02914	0.4
93.07008	0.6
94.07373	0.5
96.08964	0.3
104.85688	0.3
107.08589	0.5
108.08920	0.4
121.10123	0.4
122.06815	0.3
122.10509	0.3
134.03874	0.4
134.10510	0.3
136.12074	0.6
138.29874	0.3
145.09927	0.3
146.10419	0.5
153.07008	1.5
156.05757	0.3
163.11194	0.4
164.11493	1.0
165.06993	0.4
169.06456	0.5
170.07269	1.3
181.06491	6.9
182.07236	1.4
183.08034	0.8
184.05344	0.4
185.09714	0.3
195.08028	0.7
196.05228	0.3
197.06003	7.9
198.06792	10.0
199.07559	0.3
208.05186	0.4
209.05975	1.9
210.06781	7.9
211.03795	0.3
211.07565	1.5
212.04681	0.8
212.08360	0.5
213.09135	3.9
223.07565	0.7
224.08327	1.2
225.05504	2.0
226.06268	19.5
227.07051	2.6
227.12971	0.4
228.13126	2.2
236.04892	0.5
240.07837	4.7
241.08611	70.9
242.08815	0.3
251.06923	0.4
254.05717	0.6
254.09427	0.6
269.08109	52.3
284.10452	100.0
284.29483	1.1
284.33148	2.0
285.10962	1.7
288.57794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62022	0.1
58.96610	0.2
68.66456	0.2
71.48088	0.3
74.20605	0.2
86.70899	0.2
95.01223	0.2
96.75240	0.1
152.06142	0.3
153.07013	1.8
165.06992	0.5
169.06471	0.2
170.07275	1.1
180.05742	0.9
181.06493	6.8
182.07259	1.0
183.04362	0.4
183.08098	0.9
184.05231	0.4
185.09650	0.2
195.08031	1.0
196.05252	0.2
197.05989	8.5
198.06769	10.4
199.07509	0.3
203.01463	0.2
208.05254	1.1
209.06006	1.5
210.06758	6.8
211.03902	0.6
211.07521	1.4
212.04695	0.6
212.08344	0.4
213.09120	3.8
218.75159	0.2
223.07550	1.0
224.08308	1.5
225.05495	2.1
225.08926	0.4
226.06261	19.5
227.07045	2.1
236.04723	0.5
239.07010	0.3
240.07838	4.5
241.08603	72.2
242.08937	0.3
251.07089	0.4
254.05721	1.0
254.09430	0.6
255.06622	0.3
255.10175	0.2
256.10669	0.4
268.07269	0.4
269.08099	53.5
270.08585	0.4
284.10440	100.0
285.11069	1.0
285.14615	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0992
Annotation	Guanosine
Peak:m/z	Relative Intensity
50.30098	0.1
55.01865	0.3
56.53876	0.2
56.96569	0.9
57.03422	0.2
59.04993	0.2
61.02897	0.2
69.03436	0.3
70.06587	0.4
70.19824	0.5
73.08459	0.2
74.83491	0.2
75.68851	0.2
84.08149	0.6
84.96013	0.2
85.02894	0.3
87.04469	0.3
94.57968	0.1
97.02903	0.2
97.96687	0.2
98.20869	0.2
98.97594	2.2
101.00868	0.2
108.82512	0.2
109.05118	0.4
110.03517	2.4
116.98618	0.7
128.04565	0.4
134.04591	0.3
135.03027	6.0
152.05684	100.0
153.04083	4.2
186.04396	0.2
201.00803	0.5
206.07040	0.2
219.01895	0.5
243.01912	0.2
261.00006	0.3
261.03015	2.4
279.00800	0.7
284.09988	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2059
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
53.03930	4.2
54.26565	2.0
55.05514	11.1
55.80620	1.8
57.03427	3.0
57.07076	2.5
63.87217	1.8
64.40795	1.7
67.05176	2.8
67.05508	29.1
69.03423	6.5
69.07079	12.3
71.05003	14.3
75.41783	1.6
79.05499	25.8
81.07069	44.0
83.04996	3.9
83.08625	8.1
85.06535	3.8
89.06004	2.6
89.64597	2.3
91.04967	3.3
91.05487	33.3
93.07054	50.7
95.04973	12.8
95.08620	29.3
97.06526	8.1
97.10197	2.4
99.08076	2.3
105.07047	57.5
107.08608	42.6
109.06516	11.0
109.10162	18.2
111.08105	2.3
115.05480	3.5
116.06297	2.7
117.07008	12.8
119.07806	3.6
119.08598	44.2
121.06516	10.1
121.10155	67.2
123.08079	7.0
123.11718	5.4
128.06259	4.6
129.07013	7.0
130.07773	8.2
131.08585	42.1
133.06581	2.4
133.07587	2.2
133.10146	39.5
135.08073	12.4
135.11713	10.0
141.06935	2.4
142.07771	5.3
143.08597	20.7
144.09349	4.1
145.10146	52.3
146.07233	3.9
147.08066	2.4
147.11693	13.4
149.09718	2.2
149.13216	4.0
155.08492	4.7
156.07275	1.7
156.09300	3.5
157.10129	19.1
158.10933	6.3
159.08057	4.6
159.11697	12.9
161.09645	26.0
161.13240	6.3
163.11206	9.5
163.37529	1.8
165.01866	3.1
165.07027	2.3
167.08528	2.4
169.10106	4.5
170.10980	2.9
171.11699	12.7
173.09662	4.5
173.11780	4.2
173.13275	77.9
175.11247	2.9
175.14911	9.6
179.08563	3.6
181.10165	4.5
182.06973	2.3
183.11684	5.5
185.13286	14.3
187.11278	2.8
187.14830	8.6
189.12706	4.7
191.14372	9.0
193.10179	2.4
194.10867	3.9
195.11722	5.9
195.13786	2.3
197.13333	4.2
198.98254	1.8
199.11284	3.5
199.14880	9.4
201.12718	2.1
201.16460	2.7
203.14247	3.2
207.11720	2.7
208.12492	4.7
209.05992	10.0
209.13277	14.5
210.06537	3.0
211.14633	3.0
213.12822	2.6
213.16391	4.5
221.13394	2.2
223.14905	9.0
225.05447	8.1
225.09087	4.3
225.16460	5.1
227.14294	7.7
237.05525	5.9
240.07486	7.9
252.07828	28.9
253.04929	7.1
253.08723	2.4
255.21130	8.3
265.19644	23.1
268.07202	15.9
283.06073	11.2
283.09592	56.0
283.20602	100.0
284.10287	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	13.7
55.84240	0.7
57.07076	3.7
58.06599	1.0
59.04994	1.3
60.51868	0.7
67.05511	9.3
69.03408	0.9
69.06723	1.3
69.07072	14.4
69.67959	1.4
69.68367	2.8
71.04998	16.2
71.08612	1.6
79.05505	4.8
81.07063	45.4
83.04958	1.1
83.08622	12.1
83.20438	0.7
85.06543	3.2
89.06017	0.9
91.05496	2.0
93.07052	14.6
95.04966	0.9
95.08616	38.7
97.10165	4.3
99.08102	10.6
101.05984	0.9
105.07038	2.0
107.08599	13.4
109.10165	22.4
111.04456	0.7
111.11730	1.1
113.09662	1.8
121.06511	0.8
121.10165	11.4
123.11720	17.2
125.13301	1.4
127.11194	2.8
133.06526	0.9
133.10129	1.0
135.04398	1.0
135.11705	16.4
137.13271	20.4
141.12737	5.4
145.06494	0.8
149.13266	20.6
151.14850	0.9
152.06163	0.9
153.07047	1.6
153.12729	5.3
154.07307	1.3
163.14859	2.2
165.07010	1.6
167.14296	1.2
181.06511	2.3
182.07013	4.3
187.11188	0.7
197.05890	1.1
205.19537	17.3
205.21463	1.0
209.05998	18.7
210.06549	2.8
211.07515	1.1
212.07933	2.5
222.06808	0.9
223.07483	2.6
223.20596	7.1
225.05513	9.9
225.09074	10.0
236.87529	0.7
237.05466	14.2
238.06219	1.1
239.06801	4.5
240.07419	11.9
241.14392	1.6
241.21632	2.0
242.21194	1.0
243.51172	0.7
251.02650	0.9
251.07059	0.7
252.07835	52.0
253.05003	10.0
253.08534	6.7
265.21643	2.8
268.07187	23.3
283.09555	100.0
283.22726	25.6
284.09924	1.5
284.22379	1.2
291.93362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76051	0.6
53.03956	0.8
55.01879	3.0
55.05515	3.9
57.07083	2.3
57.40156	0.7
64.46246	0.7
65.03944	1.2
65.27578	0.9
67.05514	11.2
69.03435	2.1
69.07077	14.3
70.06589	0.8
71.51635	0.8
71.52053	1.2
72.08167	2.0
79.05496	8.1
81.07067	15.8
83.04994	2.1
83.08626	2.0
84.08135	1.5
85.02859	0.7
89.06041	2.7
91.05494	3.2
93.07038	5.4
95.04993	5.6
95.08618	5.7
97.06558	1.8
97.10154	1.0
103.05492	3.9
105.07042	39.8
107.04969	1.9
107.08609	6.2
108.05744	1.2
109.06529	14.4
109.10170	7.9
111.04473	0.8
111.08105	1.6
112.11241	1.1
115.05482	1.6
117.07021	2.4
119.08595	2.4
121.02866	1.0
121.06505	1.3
121.10176	1.7
123.08073	1.3
123.11691	3.7
125.09636	1.5
126.53565	0.8
129.07014	2.1
131.04964	1.1
132.05716	1.3
133.06506	100.0
133.10120	1.9
135.08138	0.7
135.11687	1.4
137.09633	1.2
145.06494	13.2
145.10112	1.4
147.07845	0.8
149.06029	1.0
151.11177	3.7
152.12010	4.8
153.06998	0.8
157.06512	1.9
157.10211	1.3
159.04512	0.8
159.08054	1.0
159.11777	0.7
163.11234	1.7
165.01874	2.7
165.06987	0.8
167.08582	1.3
169.06509	1.0
170.07353	1.0
181.06473	2.3
182.07004	2.7
183.02979	1.0
185.09653	3.1
195.13641	1.0
197.05922	0.8
198.06798	1.3
199.11259	0.8
209.06013	12.0
209.09604	1.0
210.06563	1.6
211.07587	1.2
211.11145	3.7
212.08009	1.5
213.09055	1.7
223.07425	1.6
225.05513	6.8
225.09082	4.3
226.05850	1.0
227.10725	1.1
227.12758	2.6
237.05475	7.6
239.07030	1.8
240.07381	6.0
241.14391	1.8
252.07860	31.7
253.05031	6.4
253.08522	3.2
265.12796	1.0
265.15936	2.3
267.06268	0.8
268.07220	12.5
275.24237	1.5
283.06104	7.2
283.09561	52.1
283.16815	8.8
283.20511	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	283.1692
Annotation	(3S,5S)-trans-3,5-dihydroxy-1,7-diphenyl-1-heptene
Peak:m/z	Relative Intensity
53.03935	1.8
55.01873	1.7
55.05502	1.8
57.07083	0.9
63.40709	0.5
67.05518	3.6
69.07063	2.1
70.75607	1.6
71.04982	0.5
79.05507	5.3
81.07063	16.6
89.06065	0.8
91.05488	8.6
91.49461	0.6
93.07053	18.4
95.04983	3.8
95.08617	3.2
95.83500	0.5
97.06548	1.0
98.20792	0.5
103.05457	1.6
105.03378	1.4
105.04495	0.9
105.06400	0.9
105.07043	10.2
107.04949	1.1
107.08584	2.7
109.06495	1.2
109.10152	3.8
110.98885	0.6
111.08112	0.6
115.05472	7.6
115.11949	0.5
117.06233	0.9
117.07028	15.0
117.07835	0.7
119.08601	1.6
121.10153	2.1
123.08030	0.8
123.11720	4.7
128.06172	0.8
129.07022	2.1
131.08589	1.0
133.06516	8.8
133.10144	1.4
135.11720	0.7
137.09616	0.7
141.06976	1.3
142.54227	0.5
143.08629	1.2
145.06494	100.0
147.08063	8.9
151.11211	2.2
153.06987	0.6
155.08582	0.7
157.06526	2.0
159.08098	1.9
161.04657	0.7
161.06004	13.6
161.09622	0.6
166.42891	0.5
169.06427	1.2
170.07347	0.7
171.08047	2.6
173.06044	0.6
179.91812	0.5
181.10205	0.6
183.08061	3.5
184.08842	0.6
185.09645	5.5
187.11226	1.5
195.08084	1.0
197.09715	1.0
199.11264	1.7
205.10133	0.5
207.11751	0.8
209.09659	3.2
223.11386	0.5
225.12753	10.8
227.10660	4.8
241.14406	0.6
265.15900	5.1
283.09799	1.0
283.12744	0.8
283.13498	0.9
283.17010	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	283.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56791	0.5
52.12669	0.4
53.03932	1.3
55.01633	0.5
55.01879	6.0
55.05517	6.9
57.03195	0.6
57.03443	6.3
57.07070	0.7
58.85724	0.4
65.03924	1.3
67.05186	0.5
67.05511	9.1
67.91822	0.4
68.99787	1.3
69.03427	2.3
69.07079	5.0
69.32424	2.5
69.32841	1.2
70.06577	1.6
71.04977	1.6
72.08147	1.7
73.02897	0.8
79.01857	0.8
79.05502	13.3
81.03419	3.6
81.07066	11.9
83.04971	1.9
83.08627	5.3
85.02929	1.0
85.06537	0.8
91.05486	5.3
93.03416	0.6
93.07050	21.7
95.04978	4.8
95.08616	23.8
97.02896	3.1
97.06506	2.2
97.10148	0.6
98.21484	1.0
99.04469	2.5
99.08135	0.6
99.99383	0.4
103.05453	0.6
105.07051	4.8
107.04971	5.5
107.07874	0.8
107.08606	16.8
109.02889	0.9
109.06521	1.6
109.10164	3.3
111.04416	1.3
111.08103	0.7
115.05446	0.6
117.07019	5.4
119.04973	3.3
119.08584	6.4
120.08122	2.6
121.02881	22.6
121.06509	4.1
121.10150	8.4
123.00793	2.2
123.08041	0.5
123.11742	0.7
125.06024	2.1
130.07765	1.2
131.08540	1.1
133.10165	2.2
135.08051	1.6
135.11703	25.9
137.02316	1.9
137.09671	0.6
137.13316	0.7
139.03900	1.6
139.07556	2.1
141.01845	5.8
145.06485	1.1
145.10135	14.1
147.11705	0.5
149.13321	1.0
152.69662	0.4
153.12796	0.8
155.08614	0.5
159.11661	0.6
163.11197	31.8
165.01854	43.2
173.09636	1.0
175.08719	0.7
177.16479	0.6
181.12239	7.9
183.01357	0.7
183.02930	11.5
191.10716	0.9
206.02698	0.5
209.11649	0.9
216.69466	0.5
227.12801	59.7
240.07846	1.2
255.06558	0.7
255.46922	0.4
265.06894	0.6
265.10562	0.6
265.14362	0.7
265.18188	0.8
266.08878	0.9
268.07358	1.2
283.06046	100.0
283.09442	4.0
283.15424	19.3
284.06516	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01882	4.6
55.05518	5.3
57.03445	5.3
57.07054	0.7
59.25183	0.4
65.03958	0.6
67.05175	0.6
67.05514	8.2
68.99794	1.0
69.03433	1.3
69.07073	3.3
70.06585	0.6
71.04996	1.9
71.52490	0.6
72.08143	0.6
73.02930	0.8
73.50800	0.4
79.01857	1.4
79.05499	13.2
79.16017	0.4
81.03431	2.8
81.07066	9.6
83.04989	2.4
83.08620	4.1
85.02908	0.8
91.05488	5.5
93.03421	0.5
93.07054	17.9
95.04984	4.1
95.08617	15.2
97.02910	3.1
97.06544	2.3
97.10179	0.7
99.00812	0.5
99.04464	2.1
105.07044	3.4
107.04963	6.1
107.08602	11.5
109.02856	0.7
109.06529	1.0
109.10170	1.5
111.04482	2.0
111.08088	0.5
115.05447	0.6
115.17789	0.3
117.07043	4.2
119.04966	2.7
119.08598	4.0
121.02879	12.4
121.06522	4.1
121.10158	7.3
123.00800	2.4
123.08088	0.5
125.05985	1.2
127.03924	0.4
130.07831	0.9
131.04953	0.6
131.08595	0.7
133.06345	0.4
133.10132	1.7
135.08075	1.5
135.11708	19.9
137.02339	1.9
139.03841	0.4
139.07565	0.7
141.01849	4.9
143.08574	0.6
145.02902	0.6
145.06479	1.1
145.10139	13.8
147.08118	0.5
153.12749	0.8
155.08556	0.7
163.11197	28.3
165.01857	41.2
173.09686	1.1
179.10674	2.3
181.12257	6.2
183.02905	10.4
190.98865	0.4
191.10858	0.4
192.08966	0.7
209.11772	4.2
212.16672	0.4
227.12807	49.8
239.18427	0.5
239.93639	0.4
241.28822	0.4
252.07852	0.8
252.11270	0.6
254.28839	0.4
255.06653	0.4
283.06052	100.0
283.15448	19.1
283.20563	0.7
284.06552	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.4
55.01877	3.8
55.05515	8.4
57.03442	10.3
57.07070	1.1
65.03938	0.9
67.05515	14.1
69.03426	1.8
69.07077	6.8
70.90004	1.3
71.04992	2.2
71.31363	0.5
73.02916	1.1
77.03923	0.6
79.05501	24.6
80.05854	0.7
81.03427	3.1
81.07063	16.7
83.04988	3.3
83.07843	0.6
83.08625	8.2
85.02908	1.0
91.05489	7.4
93.07054	34.2
95.04971	5.2
95.08616	30.2
97.02894	4.0
97.06560	3.0
97.10204	0.8
99.04478	3.6
100.11234	0.7
103.05485	2.8
104.05820	1.7
105.07037	7.4
107.04967	11.3
107.08603	22.4
108.05318	0.8
109.02872	0.6
109.06532	1.5
109.10166	2.1
111.04443	2.3
111.08109	0.9
117.07030	9.3
119.08590	8.6
121.02883	4.0
121.06513	5.2
121.10149	10.1
123.08112	0.7
125.05991	3.3
129.06973	1.0
130.07793	2.2
131.04924	1.2
131.08560	0.8
133.10152	2.3
134.09641	1.5
135.08116	1.2
135.10007	1.9
135.11705	39.9
136.68057	0.6
139.07561	1.7
141.01804	0.9
143.08575	1.1
145.06447	1.7
145.10136	24.1
149.09613	0.8
153.12843	0.8
155.08571	1.3
163.11197	53.9
165.01843	5.3
173.09610	1.5
181.12254	13.1
183.02914	1.0
191.10635	0.7
209.11784	1.3
223.07599	0.6
225.05453	0.6
227.12802	100.0
228.13171	0.7
235.10880	0.6
241.05040	0.6
251.10271	1.3
266.12616	3.3
282.66150	1.1
283.06122	13.2
283.09610	2.1
283.15390	43.6
283.20526	1.1
284.06931	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01870	3.8
55.05275	1.6
55.05511	11.3
56.16858	1.4
57.03443	10.2
57.07071	4.4
67.05504	17.9
69.03429	3.0
69.07069	9.8
69.36233	12.3
71.04987	4.8
74.79394	1.5
79.05495	27.9
81.03420	4.5
81.07055	19.8
83.04966	5.3
83.08630	8.1
85.06552	1.9
89.06009	2.8
91.05489	11.5
93.07045	34.8
95.04987	9.2
95.08614	38.4
97.02872	4.6
97.06512	7.0
98.27900	1.6
99.04456	3.9
105.07037	8.5
107.04949	7.5
107.08603	27.3
109.06548	3.2
109.10152	6.0
111.04464	3.4
111.08079	2.7
117.07047	9.3
119.08613	9.5
121.06495	7.2
121.10148	13.0
125.05953	3.3
129.07051	2.4
130.07780	3.5
131.08591	2.2
133.10130	2.6
135.08049	2.0
135.11708	40.6
139.07552	1.7
141.53395	1.5
145.10141	28.5
159.11525	2.0
163.11203	62.6
165.01843	3.3
173.09671	3.4
176.18559	1.4
181.12225	14.2
209.06012	2.9
209.11713	3.9
225.05353	1.9
227.12804	100.0
237.05444	2.8
241.14339	3.0
252.07875	7.9
253.04887	2.5
253.08472	1.8
254.15726	1.6
265.19409	1.9
268.07468	3.5
271.06131	3.5
283.06088	12.1
283.09552	14.5
283.15424	45.1
283.20190	2.6
284.06781	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01865	3.5
55.05518	7.0
57.03439	11.0
57.07077	1.6
57.11271	0.9
59.04982	1.0
67.05509	13.3
69.03434	1.7
69.07074	8.4
69.96446	3.3
71.04992	2.6
73.02917	1.1
79.05073	1.6
79.05499	24.0
81.03407	3.0
81.06598	1.1
81.07066	19.1
83.05002	4.8
83.08622	5.8
85.06509	1.3
89.06002	2.6
91.05495	8.2
93.06480	1.6
93.07053	31.8
95.04993	5.5
95.08618	31.0
97.02885	3.8
97.06519	4.8
97.10161	1.3
99.04437	3.9
102.55274	0.9
103.05499	1.1
104.21445	0.9
104.22239	1.0
105.07023	6.7
107.03036	1.1
107.04958	9.2
107.08601	25.7
109.06503	1.9
109.10129	3.0
111.04429	2.5
111.08099	1.3
117.07022	9.4
119.04895	1.0
119.08602	8.2
121.06522	5.2
121.10155	12.3
122.05927	1.0
123.11700	1.3
125.05989	3.5
129.06955	1.1
130.07802	2.2
131.08614	1.2
133.08545	1.6
133.10158	2.1
135.08096	1.3
135.11703	38.3
139.07527	1.8
140.94028	0.9
145.10135	24.9
153.12743	1.1
163.11197	55.6
171.11612	1.2
173.09575	1.2
180.82587	0.9
181.12263	12.6
191.10703	1.2
195.13826	1.0
209.05957	1.5
209.11690	2.6
225.05576	1.2
227.12802	100.0
237.05444	1.2
241.14326	2.1
252.07835	4.6
255.15950	2.2
268.07147	2.3
277.01245	0.9
283.06088	2.4
283.09607	8.2
283.15421	39.7
283.20499	1.8
289.48254	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
55.01894	0.6
55.05537	0.2
57.03455	0.9
61.02946	0.3
65.03934	1.9
66.48263	0.2
67.05522	0.4
69.03435	4.3
69.87386	1.1
71.01369	0.2
71.05006	0.5
79.05529	0.3
81.03423	7.9
81.07078	0.6
85.02911	5.3
88.60072	0.2
91.05495	0.3
93.07075	0.6
95.04977	5.4
95.08618	0.3
97.02901	1.4
99.04473	0.7
105.07040	0.5
107.08606	0.2
108.08131	0.6
109.02886	3.6
109.08473	0.7
109.10149	0.3
111.04439	1.4
117.36902	0.2
119.08588	0.3
121.02879	100.0
121.10168	0.3
122.03231	0.4
127.03940	1.5
129.77698	0.2
130.25128	0.2
133.10149	0.3
139.03908	9.1
141.01862	0.5
141.11691	0.2
145.09996	0.2
157.42058	0.2
165.01825	2.8
167.06990	0.3
183.02869	0.9
212.07317	0.2
213.07648	0.9
216.41293	0.2
227.12895	0.3
265.07098	5.8
268.07257	0.2
283.05844	7.0
283.08447	0.8
283.12854	0.3
283.15552	5.0
283.20276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17973	0.1
51.02381	0.2
53.03952	0.2
55.01874	0.2
55.05503	0.5
57.89467	0.1
65.03944	0.4
67.05504	1.9
68.91955	0.1
69.03446	0.2
69.07069	0.3
69.96820	0.6
79.05501	0.9
81.07060	1.7
83.04988	0.1
83.08631	0.3
89.06065	0.2
91.05485	8.4
93.07054	1.6
95.04973	0.2
95.08614	3.4
97.06519	0.1
98.20821	0.2
103.05446	0.4
105.07034	0.6
107.08597	1.6
109.10162	11.7
111.04459	0.2
111.08113	0.2
117.07040	0.2
119.04955	4.0
119.08572	0.2
121.02856	0.3
121.10156	1.9
131.08655	0.2
133.06459	0.3
133.10126	0.2
135.11696	0.1
145.06477	0.4
147.04419	18.7
159.04404	0.2
159.11780	0.2
163.03929	0.5
175.03915	100.0
176.04239	0.3
176.53642	0.1
177.05502	0.7
187.03917	0.1
189.05466	3.4
189.07068	0.3
195.13933	0.3
199.03944	0.5
201.05510	0.3
203.07037	0.9
213.05530	0.6
215.06979	0.2
216.06525	0.6
227.06981	0.9
240.07599	0.2
241.08527	1.2
241.14375	0.6
252.07913	0.4
265.18057	0.2
268.07285	0.3
283.13293	21.3
284.13666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01864	5.0
55.05505	9.9
57.03447	13.2
57.07069	4.5
67.05511	22.1
69.03451	1.7
69.07074	7.6
69.48227	1.3
69.48567	11.3
70.33446	1.5
71.04988	3.9
71.08617	1.6
79.05498	26.0
81.03435	3.4
81.07057	23.9
83.04972	5.1
83.08620	7.0
85.06541	2.1
89.06064	1.9
91.05495	9.4
93.07046	39.2
95.04975	9.4
95.08620	36.9
97.02891	4.5
97.06532	3.5
97.10191	1.7
99.04503	1.8
105.07055	7.8
107.04953	10.2
107.08601	29.2
109.06522	3.2
109.10151	2.3
111.04456	4.0
111.08082	2.6
117.07001	10.7
119.08602	10.2
121.06529	5.8
121.10170	14.3
123.11710	2.0
125.06011	1.6
131.08528	3.6
133.08527	1.9
133.10129	4.2
135.08043	2.3
135.11700	47.9
139.07544	2.5
143.08559	2.0
145.10146	31.8
149.09528	1.9
155.08537	1.8
163.11197	50.6
165.01776	2.7
173.09615	2.4
181.12268	13.7
183.02878	2.0
191.10741	2.5
209.06013	4.1
209.11784	5.1
219.40630	1.7
225.05507	4.7
225.09157	3.1
227.12790	100.0
237.05507	2.7
240.07509	4.2
241.14369	4.5
252.07893	13.2
253.08432	1.7
268.07184	6.3
283.06058	5.6
283.09598	23.4
283.15396	47.9
283.20447	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	282.2794
Annotation	Dodemorph
Peak:m/z	Relative Intensity
54.18985	0.3
55.05518	6.7
57.07082	19.2
58.06609	2.0
60.88518	0.3
67.05502	0.5
69.03439	1.8
69.07077	10.9
69.94180	0.6
69.94576	0.8
71.08649	1.7
72.08154	0.4
74.09712	0.6
76.21532	0.3
81.07048	0.9
83.08154	0.4
83.08632	5.7
85.10189	0.8
86.06071	5.5
86.60046	0.3
95.08624	1.1
96.08131	0.4
97.10184	3.9
99.06857	0.4
100.07623	1.4
103.01009	0.3
109.10156	0.7
111.11726	1.1
114.09212	0.5
133.67853	0.3
137.55032	0.3
142.12268	0.4
145.96678	0.4
149.13278	0.5
150.97968	0.3
170.19089	0.3
173.93593	0.3
198.22130	0.4
208.20790	0.7
209.19022	2.2
226.21683	10.9
254.28381	0.4
282.27942	100.0
283.28223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2794
Annotation	Dodemorph
Peak:m/z	Relative Intensity
53.03929	0.5
54.76948	0.5
55.05518	15.9
56.05046	2.8
57.07082	10.0
67.05182	1.1
67.05509	12.3
69.07078	16.9
69.16882	5.4
70.06577	1.6
71.08635	5.0
72.04497	1.3
79.05499	3.6
81.07068	15.2
82.06587	2.5
83.07317	0.8
83.08628	11.6
84.08168	4.2
85.10184	2.3
86.06063	2.9
91.05480	0.7
93.07035	2.3
95.08618	17.7
96.08143	7.6
97.10184	9.2
98.09708	4.5
100.07637	6.7
107.08599	0.9
109.10166	7.8
110.09716	3.9
111.11752	3.1
112.11243	0.7
114.09187	0.8
121.10153	0.9
123.11725	1.8
124.11236	2.1
137.13310	0.8
138.12840	0.7
153.79068	0.5
200.19928	0.5
209.46423	0.5
210.58260	0.7
214.21678	0.7
236.53288	0.5
247.24165	0.7
261.48660	0.5
264.26886	9.0
282.27942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0592
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
52.05368	0.1
52.98249	0.1
53.03952	0.1
55.01876	2.9
59.04994	0.2
59.29961	0.1
65.03935	0.3
65.91062	0.1
67.01884	0.1
68.99783	1.2
69.00126	0.1
69.03436	0.5
69.31969	0.1
69.32285	0.5
74.04390	0.1
79.01855	0.9
81.03425	0.8
87.04480	0.1
91.05489	0.4
92.99741	0.3
95.08614	0.1
96.02184	0.1
97.02878	0.5
99.00838	0.7
107.05005	0.1
109.02857	0.2
111.00769	0.1
111.04449	0.1
113.02284	0.1
119.04955	2.9
121.02879	7.2
121.03882	0.2
123.00796	3.0
123.01714	0.1
137.02351	2.1
140.43433	0.1
140.51457	0.1
141.01837	5.2
145.02859	0.1
145.06534	0.1
147.00806	0.1
153.14638	0.1
155.03374	0.1
163.03920	0.1
165.01846	44.1
166.02145	0.1
183.02902	9.7
187.03917	0.2
213.05460	0.2
227.07001	0.1
229.04935	0.1
238.18027	0.2
239.18350	0.6
255.06534	0.5
260.77795	0.1
282.20660	0.1
283.06021	100.0
283.20795	0.7
284.06549	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03717	1.0
53.03950	15.2
55.01878	5.0
55.05270	0.7
55.05516	9.4
57.07067	2.2
57.96331	0.5
65.03912	0.6
67.05183	1.0
67.05511	14.2
69.07075	30.2
70.21927	2.2
71.04981	0.6
71.08627	0.6
72.08164	22.0
73.06564	0.6
79.05500	11.6
81.03426	57.8
81.07066	9.4
83.05000	6.5
83.08601	1.8
87.08127	3.5
91.05498	4.6
93.07055	5.8
95.04377	1.2
95.04977	23.3
95.08064	0.8
95.08617	9.9
97.06524	0.7
97.10155	1.1
105.07043	4.5
105.41821	0.6
107.08613	7.2
107.28452	0.6
109.06509	2.3
109.10172	5.4
111.11737	4.0
119.08598	4.6
121.10140	1.9
123.08067	2.1
123.11809	0.7
133.10175	3.2
134.09619	0.9
135.11722	0.6
137.09607	0.9
147.11667	1.0
153.07025	1.2
156.46623	0.6
175.14850	3.1
181.06522	2.3
190.18311	0.5
193.15898	49.1
197.05856	0.7
207.96938	0.5
209.06049	1.0
211.07523	1.3
221.87125	0.6
227.46542	0.5
239.07076	5.6
247.63899	0.6
264.23251	100.0
266.05634	0.7
267.06540	3.0
282.08905	9.9
282.11829	1.1
282.24316	5.5
282.27600	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.0
55.05514	17.8
57.07069	3.6
67.05178	2.7
67.05508	32.1
69.07072	36.0
70.06614	2.6
71.08620	2.1
71.52607	2.2
71.52979	3.0
72.08157	35.5
79.05487	6.2
80.59509	1.9
81.07063	36.6
83.08633	12.0
85.94584	4.4
86.09729	12.1
91.05466	5.7
92.67050	2.0
93.07066	5.8
95.08613	65.9
97.10072	2.6
103.95638	1.8
104.10732	3.8
105.07041	4.3
106.07391	2.3
107.08581	4.1
109.10156	18.6
119.08608	4.0
123.11698	4.2
131.43930	1.9
134.09650	4.9
145.96632	6.7
151.14848	3.1
163.97714	9.5
165.06929	2.0
179.14313	7.0
180.63869	2.2
181.06451	2.5
181.98810	2.7
186.99312	9.7
239.07083	10.3
258.97897	3.1
264.23248	100.0
267.06454	5.3
282.08783	11.5
282.21997	6.3
282.24335	8.4
282.27899	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	282.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01860	1.8
55.05518	15.2
57.07056	2.5
65.03956	0.8
66.98986	0.5
67.05507	26.7
69.07071	28.3
69.28735	5.1
71.07365	0.6
71.08616	1.3
72.08159	16.6
77.03947	0.6
79.05128	0.6
79.05493	5.3
81.07061	30.1
83.04981	0.6
83.08619	16.7
91.05466	2.7
93.07041	6.0
95.04981	1.2
95.08611	53.5
97.10150	3.0
98.21467	1.0
105.07026	1.8
107.08580	1.7
109.06506	1.8
109.10159	14.6
111.08065	0.7
119.08590	4.1
121.10078	1.4
123.08038	1.3
123.11699	2.4
133.10127	2.5
135.11685	0.8
137.09621	4.9
139.09892	0.8
139.86595	0.7
147.11662	0.9
153.06946	2.8
165.16426	1.2
175.14842	1.8
180.28700	0.8
181.06459	4.4
186.99316	1.4
193.15906	3.8
209.05965	2.2
211.07588	3.2
221.06096	0.7
224.04675	1.3
225.05420	1.3
238.06172	1.6
239.04843	0.9
239.07080	11.4
264.23242	100.0
267.06470	6.4
282.08871	22.3
282.11572	0.8
282.21756	1.4
282.24338	3.0
282.27710	1.3
283.06168	0.7
283.09439	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2062
Annotation	scalusamide A
Peak:m/z	Relative Intensity
50.01580	0.3
51.02375	0.3
53.03954	1.8
54.75376	0.3
55.01873	1.3
55.05274	0.3
55.05516	4.2
57.03438	7.4
57.52955	0.3
59.04987	0.7
65.03930	0.9
66.62330	0.3
67.05508	15.0
68.02653	0.3
69.03432	2.8
69.07075	4.9
70.06596	0.6
71.04990	2.6
71.07362	0.9
71.17742	0.5
72.08160	14.1
73.06544	0.4
75.04491	0.3
76.97349	0.2
77.03912	0.3
79.05499	25.4
79.78864	0.2
81.03426	4.3
81.07061	18.3
83.04484	0.4
83.04986	6.3
83.08630	0.5
85.02908	0.3
85.06546	2.3
91.05486	22.7
93.07053	14.8
93.07936	0.3
95.04375	0.4
95.04979	6.2
95.08612	7.8
97.02888	1.1
97.06538	24.7
97.10169	0.3
98.06066	0.5
98.21519	0.2
99.04404	0.5
99.08090	1.6
103.05436	0.6
105.03380	0.3
105.04531	0.5
105.07039	19.8
107.04227	0.2
107.04963	8.8
107.08601	21.0
109.06535	2.7
109.10149	2.0
111.04422	0.4
111.08082	1.2
115.05466	0.5
117.06232	0.4
117.07024	5.6
119.04917	0.9
119.08591	9.4
120.08080	0.3
121.06514	2.0
121.10145	2.6
123.08068	1.1
123.11726	0.6
125.09596	0.8
129.07016	3.9
130.08638	0.3
130.22037	0.2
131.08574	6.5
133.06509	8.3
133.10133	7.7
135.08072	3.0
137.05971	0.8
137.09615	5.4
139.09917	1.7
142.07738	1.1
145.10126	1.0
147.08060	2.0
147.11696	15.1
149.09564	0.5
149.13281	0.8
151.11205	2.7
152.10681	0.4
157.10159	3.1
165.12740	0.9
173.82346	0.3
175.11194	5.6
193.12233	4.2
194.63910	0.3
211.13187	0.5
220.17014	0.8
239.06908	0.4
246.18546	4.2
264.19614	16.0
267.06494	0.4
282.08939	1.2
282.20645	100.0
283.06149	0.3
283.20901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
57.79799	0.4
61.45278	0.4
67.05523	0.6
68.05018	0.7
69.03426	0.6
69.07065	1.4
70.06361	1.1
72.08140	0.4
75.56155	0.4
79.00703	0.4
79.05501	1.8
80.05040	2.4
81.03423	0.6
81.07069	2.4
82.06625	0.5
83.08624	0.4
84.04505	1.8
84.08153	1.0
85.02920	2.8
86.06056	0.9
87.04476	15.0
91.05478	0.9
93.07047	5.4
94.06577	0.7
95.08607	1.5
96.08132	0.6
98.06064	1.4
98.21517	0.5
102.05534	0.9
105.07040	1.0
107.05006	0.7
107.08588	2.3
108.08134	6.3
109.02924	0.4
109.08893	0.7
110.09686	1.8
120.04467	0.4
120.08141	0.6
121.02879	0.5
121.10146	0.6
122.09679	6.4
123.10466	1.0
123.11710	0.5
124.11263	0.6
130.06572	3.0
130.08624	0.9
134.09648	0.6
135.04453	2.8
135.11726	4.1
136.07573	0.6
136.11226	2.4
137.13200	0.6
150.12796	11.1
151.13602	3.2
152.14357	16.6
153.06609	2.1
166.08652	3.3
178.12209	0.4
178.15894	0.5
180.10237	1.0
182.54248	0.4
184.09680	0.9
184.13333	1.4
194.11835	2.0
196.13310	1.0
204.28436	0.4
208.13321	4.6
209.14142	1.4
210.14827	0.6
220.16896	0.5
236.16476	0.8
238.18039	100.0
239.07220	0.5
239.18359	0.8
240.19693	0.4
279.29865	0.4
282.17081	25.9
282.20663	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2066
Annotation	scalusamide A
Peak:m/z	Relative Intensity
53.03952	3.5
55.01881	2.1
55.05512	9.0
56.05042	1.0
56.32122	0.7
57.03440	1.9
58.06585	0.8
65.03936	2.4
67.05510	20.3
69.03434	3.7
69.07066	5.4
70.06597	3.2
71.04987	1.6
71.07378	6.2
71.53292	0.6
72.08160	47.1
79.05496	83.8
81.03431	7.6
81.07059	74.4
83.04980	4.6
83.08622	0.6
84.04514	0.9
84.08154	1.6
85.02921	0.8
85.06537	1.3
90.09238	0.5
91.05485	40.7
93.07046	22.3
95.04975	10.3
95.08614	7.7
96.04495	1.7
97.06534	4.6
98.06088	3.2
103.05469	1.2
105.04486	0.9
105.07036	42.1
107.04959	6.6
107.08600	57.4
108.08988	0.6
109.06536	5.8
109.10168	1.4
111.06903	0.6
111.08096	0.9
115.05445	1.0
117.07031	3.6
118.34966	0.6
119.04927	1.7
119.06069	1.5
119.07803	1.2
119.08587	17.4
120.04456	1.8
120.08097	1.4
121.06522	1.7
121.10147	4.4
123.11676	0.7
124.07573	1.6
125.05987	0.9
129.07018	4.8
130.08640	1.3
131.08574	10.4
133.06502	6.8
133.10135	21.0
133.11104	1.4
135.08057	1.4
135.11696	0.7
137.05977	2.8
137.09572	1.5
139.09932	12.7
140.10703	1.4
142.07771	2.7
145.06409	0.9
145.10156	1.9
146.06032	0.8
147.08009	3.4
147.11694	40.3
149.09654	3.2
149.13272	6.1
151.11174	1.0
152.10683	3.0
157.10133	2.5
165.06992	0.8
165.12749	5.9
166.12263	1.4
170.24840	0.7
175.11208	9.9
179.08597	1.0
189.07011	3.4
193.12236	3.3
204.13870	0.9
207.08069	7.0
209.09843	0.8
217.06467	6.8
218.07253	0.6
219.08063	0.9
220.16985	1.2
235.07568	4.7
239.06970	1.1
239.10258	0.7
246.18550	83.2
247.07562	4.5
264.10193	2.2
264.19604	100.0
265.08612	18.6
267.06464	2.5
282.08725	4.9
282.11386	1.9
282.15665	1.0
282.20587	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.2
55.01877	2.4
55.05504	0.2
59.04994	0.2
65.03953	0.3
67.05512	0.2
68.99794	0.9
69.03429	0.5
69.67091	1.0
70.06583	0.3
79.01868	0.8
79.05491	0.3
79.28918	0.2
80.05024	0.6
81.03442	0.8
81.03874	0.2
81.07072	0.5
84.08143	0.2
85.02929	0.1
86.06081	0.2
87.04478	4.2
89.34943	0.1
91.05485	0.6
92.99778	0.3
93.07047	1.2
95.04981	0.2
95.08622	0.4
96.08152	0.3
97.02901	0.6
98.06068	0.4
99.00844	0.5
100.41053	0.2
107.08601	0.5
108.08115	0.7
109.02909	0.4
110.09685	0.6
111.04455	0.1
119.04953	2.6
120.04458	0.2
121.02002	0.4
121.02877	6.9
122.09690	0.6
123.00794	1.9
123.10485	0.2
124.11238	0.2
135.04411	0.9
135.11722	1.1
136.11266	0.3
137.02361	1.8
141.01840	5.8
145.02887	0.3
150.12767	1.0
151.13559	0.4
152.14359	4.9
155.86945	0.2
163.03937	1.1
164.04279	1.1
165.01849	42.2
166.08647	0.7
180.10158	0.2
181.04819	0.2
181.11015	0.2
182.05182	0.2
183.02911	10.2
187.03957	0.2
194.11723	0.8
196.17070	0.2
208.13287	1.3
209.14087	0.3
210.14842	0.2
213.05394	0.2
232.19028	0.2
236.16530	0.3
238.18039	31.7
239.18356	0.2
240.19656	0.2
255.06628	0.5
282.05243	0.5
282.08459	7.7
282.20651	31.1
283.06027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2066
Annotation	scalusamide A
Peak:m/z	Relative Intensity
53.03951	6.1
53.14408	1.2
55.05315	1.2
55.05523	13.7
59.10907	1.2
61.76263	1.0
61.79647	1.1
65.03938	2.1
67.05177	2.2
67.05511	23.7
69.03436	3.6
69.07081	5.6
70.06582	3.2
70.91727	2.4
70.92081	2.2
72.08166	51.8
77.55642	1.2
79.05499	41.9
81.03425	9.7
81.07068	35.2
83.04994	6.7
83.08607	1.3
84.08155	41.3
84.74816	1.1
91.05495	41.9
93.07055	45.6
93.07643	2.4
95.04978	5.0
95.08620	21.3
95.78940	1.1
97.06503	2.1
98.06056	1.7
105.04504	1.5
105.07047	45.9
107.04953	4.6
107.08605	60.0
109.06513	4.0
109.10186	1.4
111.08069	2.3
117.07010	1.7
119.06100	1.8
119.08599	21.2
121.10163	3.7
128.07057	3.5
129.07004	3.4
130.08656	100.0
131.08594	12.0
133.06531	8.3
133.10147	27.8
135.11732	5.9
139.09967	1.6
142.07767	2.3
145.10123	1.5
147.11705	49.9
149.13239	7.2
152.10753	2.1
157.10167	3.5
165.12715	3.4
175.11212	19.7
182.11748	3.7
191.13100	1.1
193.12244	6.5
246.18567	28.9
264.19617	97.1
282.08817	3.3
282.20651	26.7
285.95483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18653	0.9
53.03962	4.4
55.01866	1.2
55.05515	14.4
64.87331	1.0
65.03934	2.1
67.05511	29.6
69.03440	4.7
69.07064	3.0
69.42852	6.1
70.06596	6.0
70.46787	0.8
71.04992	1.6
71.07365	1.4
72.08163	63.5
79.05502	51.7
79.05978	1.7
81.03419	10.5
81.07066	47.9
83.05003	7.2
83.08624	3.2
84.08147	8.0
85.06553	13.6
91.05490	49.8
93.07053	27.2
95.04988	6.5
95.08623	6.8
97.06525	1.8
98.06059	3.2
103.05488	1.3
105.07039	56.2
107.04998	4.5
107.08606	44.3
109.06515	3.2
109.10126	1.9
111.04464	2.0
117.07018	1.8
119.04980	1.1
119.08591	24.5
121.06523	3.4
121.10147	3.3
124.07571	0.9
126.09187	1.0
129.07059	5.2
130.08652	21.1
130.95284	1.0
131.08575	14.0
133.06500	10.9
133.10150	29.1
136.15686	0.8
137.05971	1.4
139.09909	2.8
142.07791	2.1
145.10130	2.2
147.08057	2.5
147.11699	57.9
149.13278	9.1
151.07669	0.9
152.10716	3.5
157.10107	4.5
165.12749	4.7
175.11203	19.3
175.12744	1.1
182.11754	3.5
193.12325	6.1
193.13850	0.8
226.37584	1.0
239.07184	1.5
244.05373	0.9
246.18564	35.8
264.19617	100.0
265.19901	1.4
267.06674	1.1
282.08777	4.7
282.20636	18.1
284.88394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.05516	2.1
57.03445	0.7
57.07071	1.2
59.04993	0.7
63.28709	0.3
66.57693	0.3
67.05213	0.4
67.05512	3.4
69.07077	2.1
69.07398	0.5
69.42304	0.7
69.42718	2.0
70.06597	1.2
71.05000	0.7
72.08173	0.8
79.05500	3.9
80.11556	0.4
81.06585	0.8
81.07062	13.4
82.06592	0.6
83.04966	0.8
83.08629	3.2
84.08150	37.6
85.06551	31.8
89.86018	0.4
91.05479	2.4
93.07054	9.4
95.08617	4.8
97.06528	1.8
100.07599	0.4
105.07036	1.3
107.04999	0.4
107.08604	11.2
109.10172	3.5
111.08059	0.7
111.11754	0.4
119.08566	0.7
120.08129	0.4
128.07133	2.1
130.08650	100.0
135.11713	7.3
139.03926	0.4
153.12752	1.0
165.06937	0.6
191.08641	0.3
193.06535	1.6
207.08202	0.4
208.08852	0.4
211.07629	0.4
221.06003	1.2
235.07584	0.6
236.08305	0.6
239.07080	2.7
249.05576	0.6
257.37756	0.4
264.19669	3.6
267.06570	3.4
282.08862	8.0
282.11432	0.6
282.20609	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	282.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45009	1.6
53.03949	4.0
55.05508	6.3
57.07070	1.9
58.06602	22.5
67.05506	14.4
69.07068	8.6
69.29764	9.9
69.30176	4.1
70.06596	97.9
71.04990	6.0
72.08145	6.4
79.05491	32.0
81.07060	41.8
83.04961	1.9
83.08620	4.8
85.06534	4.9
85.94601	2.0
86.06083	3.0
88.07631	47.9
91.05483	26.1
93.07049	100.0
95.04971	4.5
95.08613	14.5
97.06513	2.8
97.48468	1.6
98.20946	6.8
98.21629	3.0
99.17796	1.9
105.07042	21.3
106.07371	1.4
106.08671	35.8
107.08607	20.8
108.08914	3.1
109.06491	2.1
117.07001	8.4
119.08585	5.1
121.10154	5.9
131.08607	10.7
133.10150	16.8
134.09634	3.6
134.10547	2.0
135.08069	4.3
135.11697	12.9
145.96623	3.6
147.11719	5.2
149.12247	1.8
149.13278	32.5
159.11696	23.0
163.97751	7.8
175.11183	2.0
177.11217	2.7
177.12764	45.5
181.98775	2.2
186.99356	7.2
194.15462	2.2
203.04930	1.8
203.15384	1.7
206.15431	4.4
221.06361	4.0
222.06656	1.7
246.18547	8.4
258.97723	2.8
264.19632	66.6
264.22498	3.1
282.10358	10.7
282.20313	19.6
282.28006	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	282.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20028	0.3
53.03935	1.6
55.01871	0.5
55.05508	3.1
56.96554	0.4
57.03436	0.3
57.07074	0.4
58.06589	0.4
62.75392	0.3
67.05511	6.6
69.03421	1.3
69.07046	1.3
70.06579	1.7
71.07380	1.9
72.07754	0.6
72.08161	17.5
79.05499	24.9
81.03423	3.5
81.07063	29.7
83.03788	0.5
83.04972	1.3
84.08115	1.0
85.02908	0.6
91.05486	14.6
93.06480	0.7
93.07050	9.6
95.04968	3.6
95.08627	2.7
96.04494	0.4
97.02895	2.6
97.06515	1.0
98.06087	0.8
98.97589	0.8
103.05451	0.5
105.04512	0.5
105.07037	15.2
107.04948	1.6
107.08603	19.4
109.02859	0.4
109.06511	1.9
111.08055	0.6
115.05400	0.5
116.19851	0.4
117.07018	0.8
119.04931	1.2
119.06125	0.7
119.08587	5.7
120.04488	0.6
121.10149	1.5
124.07575	0.5
126.09169	0.8
127.26595	0.3
129.06987	1.8
130.08630	1.3
131.08574	3.5
133.06517	2.7
133.10147	6.0
134.05998	1.0
134.09619	1.3
135.06351	1.5
137.05974	0.5
139.09920	3.7
140.10654	0.5
141.06979	0.4
145.10159	1.0
145.96698	0.4
147.08032	0.7
147.11703	12.8
149.09607	1.1
149.13258	1.9
152.06230	1.1
152.10643	0.8
153.06999	11.2
155.08530	0.8
157.10126	1.2
163.05403	0.6
165.06963	1.8
165.12772	2.1
169.06482	0.7
175.03906	0.8
175.11165	3.7
179.08586	0.7
181.06497	20.1
182.07239	0.8
183.08081	0.7
189.06935	0.6
191.04895	0.7
191.08527	1.0
193.12361	0.8
194.78920	0.3
196.05193	2.4
197.06012	1.5
205.06577	0.4
205.10147	0.4
207.06406	0.7
207.08095	2.3
209.06006	9.7
210.06755	1.2
211.05530	0.7
211.07570	13.3
218.07309	0.8
219.08092	1.4
220.17023	0.6
221.05995	2.9
222.06772	2.1
224.04726	5.4
225.05501	6.0
225.09055	1.0
233.09644	0.8
234.10428	5.3
235.07549	6.4
236.08171	0.8
237.05528	1.6
238.06273	7.7
239.07043	52.2
240.07495	0.9
246.18559	24.9
249.05470	1.5
249.09100	0.4
250.06082	0.5
250.09935	7.6
252.07837	3.5
253.04907	1.0
253.08649	0.5
254.04701	1.0
258.15161	0.5
264.19601	35.2
265.08691	3.8
265.12256	19.9
265.15109	0.6
266.05734	1.0
267.06540	35.0
268.07211	1.7
269.06992	0.6
272.05750	0.7
273.61081	0.5
282.08878	100.0
282.20370	4.3
282.28052	0.6
283.04834	1.0
283.09540	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	282.2064
Annotation	scalusamide A
Peak:m/z	Relative Intensity
53.03948	5.4
53.10992	1.9
55.05510	14.4
57.03449	2.4
57.07051	4.0
58.06606	25.0
59.91911	2.1
61.24364	2.3
65.03929	2.6
67.05139	2.3
67.05512	65.8
69.03432	11.6
69.07073	16.2
70.06602	77.3
71.04988	7.6
71.36756	3.9
72.08148	4.0
79.05499	74.3
81.03401	3.0
81.07066	93.1
83.08611	8.7
84.84132	2.2
85.94597	2.4
88.07642	45.8
89.12332	2.0
91.05495	23.6
93.07053	78.2
93.07640	4.8
95.04969	8.0
95.08619	30.5
98.06075	2.9
105.07059	13.1
106.07405	2.1
106.08672	6.3
107.04993	3.3
107.08602	79.9
109.06522	10.6
109.10177	12.5
115.30566	1.9
117.07032	12.2
119.08588	7.6
121.10142	19.0
131.08560	8.6
133.10143	7.7
134.09645	2.9
135.08109	4.0
135.11694	7.8
137.08386	2.9
142.47626	2.2
145.96689	4.1
147.11699	5.7
149.13275	44.7
151.07587	4.7
155.09384	2.5
159.10490	2.1
159.11719	11.4
163.97752	4.7
177.12782	15.1
186.99365	5.6
194.15359	2.4
206.15523	4.8
211.07487	2.7
225.05479	4.4
229.08888	6.5
229.59013	2.8
235.96046	3.5
239.06996	2.9
240.59705	8.6
246.18575	26.1
247.09990	4.9
258.97897	3.6
264.19620	100.0
282.05142	11.9
282.08685	11.3
282.20499	40.0
282.27826	3.5
293.46167	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	282.2066
Annotation	scalusamide A
Peak:m/z	Relative Intensity
51.08308	0.9
53.03937	4.4
55.01872	2.0
55.05517	14.6
57.03422	1.5
57.07069	1.5
61.84460	0.9
65.03932	3.5
67.05511	38.4
69.03418	2.9
69.07071	5.4
69.71270	6.5
70.06579	4.2
71.04994	1.8
72.08161	68.7
77.72375	1.0
79.05501	55.2
81.03035	1.3
81.03434	10.3
81.07063	41.7
83.04979	9.2
83.08636	2.4
85.06509	0.9
88.45702	1.0
91.05489	46.4
93.07055	24.6
95.04986	6.5
95.08627	9.3
97.06515	2.7
98.06058	2.7
98.97533	1.3
99.04427	1.2
103.05466	1.8
105.03409	1.2
105.04517	1.4
105.07037	60.4
106.95798	1.0
107.04972	5.8
107.08600	46.3
109.06509	4.7
109.10159	3.1
111.04464	2.5
111.08083	1.8
115.05450	1.5
115.89240	1.4
117.07026	3.7
119.04976	1.1
119.08587	25.3
121.06554	2.4
121.10139	5.0
123.08063	1.3
129.07069	5.6
131.08572	16.7
133.06508	9.7
133.10141	33.5
133.11102	2.2
134.09648	2.3
139.09906	2.5
140.10674	1.0
142.07777	2.6
145.10104	3.5
147.08034	2.8
147.11694	58.9
149.09628	1.1
149.13257	8.9
151.07631	1.2
152.10709	3.1
157.10081	5.1
163.97752	1.5
165.12730	4.8
166.12296	1.3
175.11183	20.5
182.11812	5.6
186.99345	1.4
193.12302	6.3
202.69617	1.0
207.08110	1.7
212.73994	1.1
235.07631	1.8
246.18552	29.1
250.09843	2.6
258.13449	0.9
264.19611	100.0
265.08707	3.4
265.12109	4.8
267.06680	1.4
282.20316	10.8
282.27896	1.1
300.86749	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15481	0.9
55.01858	1.2
55.05491	1.5
57.07080	2.7
63.27988	0.8
67.05511	7.7
69.07067	7.7
69.49931	3.7
69.50349	2.1
72.08149	2.1
79.05479	4.3
81.07062	56.2
82.02955	1.7
83.08628	2.0
84.04499	7.6
91.05508	1.1
93.07040	1.0
95.04983	1.0
95.08614	34.9
97.13411	0.9
98.97523	1.3
101.92522	0.9
107.08626	1.0
109.10139	3.1
110.02403	3.9
127.51530	1.0
128.03461	11.6
134.09669	2.2
137.13264	57.8
137.87839	0.9
144.02936	2.9
145.96693	2.0
146.04509	8.0
148.08464	1.0
151.85457	0.9
158.04500	5.2
163.97701	3.2
186.99339	3.3
226.10838	1.1
235.96191	1.3
282.17026	100.0
282.22162	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	282.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83805	0.5
55.01873	0.8
55.05492	1.5
56.05027	0.8
57.39769	0.5
58.99593	20.5
60.04345	0.5
65.03931	0.7
66.25507	0.5
67.05189	1.0
67.05514	13.7
68.05025	0.7
69.04599	0.5
69.07079	4.0
70.39450	1.8
70.50667	0.5
71.08628	1.5
79.05481	1.9
80.05021	1.9
81.03416	0.7
81.07075	4.5
85.01123	1.0
86.00655	2.0
86.98553	1.0
86.99066	15.2
87.02670	0.7
88.02201	1.8
91.05474	1.5
93.05780	1.3
93.07042	3.3
94.06554	1.5
95.08623	9.4
96.08096	0.5
99.02711	1.3
101.03646	1.0
101.04254	10.8
103.08368	0.5
105.00101	21.7
105.07053	1.9
106.06570	1.0
107.08591	1.6
108.08131	22.4
109.02872	0.8
109.08951	0.6
109.10171	4.9
110.09695	16.5
112.02199	1.6
113.04208	0.6
117.06996	0.7
119.08593	1.7
120.04469	1.3
120.08104	3.4
121.02908	2.7
121.10138	0.9
122.09674	4.9
124.11206	0.7
132.01169	9.1
133.10165	2.5
134.02657	0.6
134.09639	2.2
136.11235	6.2
137.04254	0.6
140.05266	1.4
146.02809	0.8
146.06010	3.7
148.11235	1.4
150.12784	1.0
151.14838	8.3
157.73969	0.6
159.04788	0.6
161.13235	1.2
164.07098	1.5
165.01886	1.2
166.06935	2.9
166.08414	0.5
173.06345	17.2
175.07875	4.4
176.14371	1.8
176.63428	0.5
178.15935	3.0
180.08459	1.2
180.10071	0.6
182.02766	0.8
183.03456	0.5
189.07008	3.0
193.10579	0.6
207.08037	3.6
210.13123	0.9
212.07416	19.1
217.06512	5.2
218.11755	3.1
226.09019	3.0
235.07530	2.9
247.07632	3.8
264.10162	1.6
264.12616	1.0
265.08646	10.7
267.09491	0.8
282.15247	100.0
283.05927	2.0
283.15546	0.7
299.40585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01872	0.4
55.05498	1.3
56.05033	0.7
57.07057	0.5
58.99591	4.5
59.48972	0.3
65.03945	0.5
67.05510	2.9
69.03432	0.4
69.07089	1.7
70.06592	0.5
71.52392	0.6
72.08128	0.4
73.01138	0.4
77.91844	0.4
79.05505	2.5
80.04613	0.3
80.05024	1.6
81.03407	1.0
81.07073	3.3
82.06580	1.1
83.08611	0.4
85.01114	0.8
85.02949	0.3
86.00667	1.6
86.99051	3.6
87.02698	1.3
88.02212	1.5
91.05476	1.5
93.05789	1.3
93.07063	1.5
94.06572	1.2
95.05003	0.5
95.08611	3.4
96.08136	0.6
101.04233	1.1
105.00100	2.4
105.07040	2.4
106.06558	1.0
107.07393	0.6
107.08606	2.1
108.08135	22.8
109.02889	0.6
109.08926	0.6
109.10185	1.7
110.09703	2.1
111.01395	0.5
111.02707	0.4
112.02213	2.4
112.84139	0.3
113.04265	0.7
118.06525	0.4
119.08576	1.8
120.04489	0.9
120.08086	1.7
121.02887	7.7
121.03743	0.7
121.08897	0.5
121.10114	0.6
122.08998	0.4
122.09694	3.8
124.02186	0.7
124.11237	1.3
131.08603	0.5
132.01152	1.9
132.08098	0.8
133.10123	1.1
134.09639	2.2
135.11665	0.4
136.11229	1.2
137.04201	0.8
138.03757	0.8
139.03957	0.5
140.05278	1.2
148.11256	2.0
150.12796	1.8
151.05762	0.5
151.14835	1.0
152.05292	0.4
155.08882	0.4
158.02740	0.7
159.04758	1.3
161.13263	1.2
162.12665	0.4
166.06891	4.4
166.08429	0.6
167.07599	0.4
167.08914	0.7
168.08418	0.9
173.06308	1.5
175.08008	0.5
176.14372	3.3
177.15149	1.4
178.15916	3.9
180.08501	1.7
180.09988	0.4
181.09184	1.1
182.02763	1.4
183.03514	1.0
184.04280	0.6
184.79561	0.3
193.10461	1.0
195.12054	0.6
196.67084	0.4
207.08101	0.7
210.05917	1.0
210.13142	2.0
212.07436	31.3
226.09094	0.5
227.92786	0.3
235.07697	0.5
236.14557	1.7
254.12181	0.5
260.87100	0.4
265.08792	2.1
282.15256	100.0
283.05951	0.8
283.15521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84103	0.4
55.05513	0.4
69.54752	0.3
70.95331	0.7
79.05480	0.6
81.07079	0.7
84.08154	2.2
89.00206	0.3
91.05485	0.6
91.74720	0.3
93.07073	0.5
105.07060	0.7
107.08590	0.7
130.08681	2.5
133.10135	0.4
178.07802	0.8
179.08551	3.2
189.06982	0.9
190.07813	1.7
191.08595	3.6
193.10205	0.7
202.07765	0.9
203.08595	3.0
204.09470	0.7
205.06535	0.9
205.10168	2.2
206.07280	0.5
207.08060	5.6
207.17934	0.4
214.07927	0.4
215.08766	0.4
217.06509	1.6
218.07301	4.3
219.08084	8.3
220.08762	0.6
221.06110	3.2
221.09619	4.2
222.06802	0.6
222.10419	1.5
231.08084	0.4
233.09593	4.2
234.10420	24.9
235.07568	29.1
235.11320	1.0
236.08299	4.8
237.09030	0.9
249.09097	2.2
250.09921	37.9
264.19412	0.8
265.12262	100.0
266.12665	0.5
267.06427	0.3
282.14890	5.7
282.20322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
67.05521	0.7
69.03461	0.4
70.06594	1.2
71.05002	0.5
71.11795	0.6
72.08166	1.0
73.74277	0.3
78.89488	0.3
79.05492	0.7
81.03438	0.4
81.07069	0.5
86.09710	0.4
88.07646	2.0
89.03932	4.0
91.05489	1.2
93.07090	0.5
95.08630	0.5
97.02911	0.4
105.07067	0.8
106.02914	1.3
106.04173	0.6
106.08669	2.0
107.04976	0.4
109.02853	0.5
117.03399	17.0
119.04955	0.4
119.08594	0.5
120.04459	0.5
120.08023	0.4
121.06529	0.4
124.03970	5.3
125.04292	0.4
128.04979	0.8
134.03638	1.0
135.04382	0.6
145.02864	48.4
147.04424	0.5
147.11699	0.5
149.06007	6.1
156.04468	2.5
163.03903	0.9
165.07034	1.4
175.03923	1.2
177.05492	100.0
178.05905	0.4
186.05453	0.4
187.25302	0.3
188.07089	3.3
193.06451	2.3
201.05606	0.8
207.07977	0.6
208.09077	0.5
211.07658	1.0
221.06017	1.9
232.09644	1.6
235.07616	0.7
236.08429	0.6
239.07053	3.1
246.18672	0.4
249.05597	0.8
263.07065	0.5
264.12302	0.9
264.19537	0.6
267.06552	3.9
268.08218	2.0
273.09192	2.8
273.59390	0.5
278.10178	2.9
282.08807	8.6
282.11334	6.3
282.13614	1.7
282.20279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1199
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
55.01863	0.3
57.03432	0.7
58.06603	1.2
59.05006	0.9
61.02925	0.4
69.03434	2.4
69.07066	0.8
70.06589	0.7
71.05006	0.2
71.51829	0.2
72.08168	0.4
73.06565	0.2
75.04487	0.4
79.05470	0.2
81.03413	0.3
81.07070	0.4
84.04519	0.4
84.08141	0.5
85.02910	1.8
85.06543	0.2
86.09715	0.3
86.99072	0.2
87.04464	0.7
91.05459	0.2
94.04041	0.3
97.02899	0.8
97.08865	0.2
98.06057	0.2
98.97616	0.3
101.06016	1.1
102.05568	0.3
103.07581	0.5
104.05388	0.3
105.07062	0.2
107.04967	0.5
109.02897	0.3
110.07166	0.8
111.04445	0.3
115.03924	0.3
116.07151	0.2
116.20596	0.2
116.94824	0.2
119.03587	1.0
120.04425	0.2
121.02918	0.4
122.07174	0.3
123.07990	1.1
124.08331	0.9
127.03942	0.5
129.05487	0.2
129.10205	0.3
130.05040	0.3
132.08090	0.3
133.06458	0.2
134.09657	0.3
136.06197	100.0
137.04631	0.6
145.04951	0.7
147.06543	0.6
150.07777	0.3
156.07600	0.3
160.07570	1.6
161.07957	3.5
163.03880	0.5
163.05971	0.3
185.07961	0.3
191.07269	0.4
193.08653	0.5
201.09944	0.5
202.10646	0.7
203.09024	0.4
206.11795	0.7
218.08215	0.5
219.06512	0.2
222.87355	0.2
224.12860	0.3
232.11655	1.3
236.09155	0.4
236.12799	0.5
246.11374	0.2
250.12808	0.4
264.08481	0.3
264.12411	0.4
282.11890	4.3
282.16949	0.4
282.22128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1126
Annotation	Annolobine
Peak:m/z	Relative Intensity
55.01869	0.7
62.39526	0.3
66.59637	0.3
72.97871	0.3
78.92360	0.3
81.07031	0.5
84.08141	1.0
120.04456	0.5
121.02843	0.5
130.08636	0.5
134.05994	0.4
135.06343	0.8
165.01883	0.7
165.06981	0.9
166.07828	0.5
178.07748	0.9
179.08609	2.9
182.68021	0.3
189.07010	3.7
190.07748	0.7
191.08595	2.3
194.05748	0.4
194.07240	2.4
205.06464	1.0
206.07278	1.2
207.08072	35.3
208.08537	0.5
209.09602	3.4
217.06502	1.1
218.07312	1.1
219.08073	4.6
221.06059	0.9
222.06808	0.4
235.07564	22.2
236.08339	0.4
237.08986	1.8
238.18140	0.6
245.07092	1.9
247.07545	1.5
248.08371	0.7
263.07104	0.8
265.08621	100.0
266.09003	0.9
267.09375	0.6
282.08698	0.8
282.11322	7.8
282.20737	1.1
283.06039	2.5
294.15460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0887
Annotation	Ofurace
Peak:m/z	Relative Intensity
51.66883	0.2
53.03933	0.6
55.05519	1.2
65.03942	0.3
67.05499	2.0
69.03431	0.7
69.07066	0.4
69.30952	1.9
70.06589	0.5
71.07365	0.6
72.08159	5.0
79.05498	7.9
81.03418	1.1
81.07061	10.9
83.04972	0.4
84.08129	0.4
91.05489	4.4
93.07045	2.0
95.04971	0.7
95.08614	0.7
97.02884	1.4
97.06524	0.3
98.06033	0.3
100.73418	0.3
101.28425	0.3
105.07034	5.1
107.04957	0.8
107.08601	6.9
109.06518	0.6
119.04932	0.3
119.08607	2.2
120.04440	0.3
121.02077	0.2
121.06422	0.2
121.10132	0.5
129.07025	0.5
130.08633	0.8
131.08609	1.2
133.06496	0.9
133.10136	2.1
134.06004	0.4
135.06337	0.7
139.08929	0.3
139.09915	1.3
141.07001	0.5
145.10185	0.3
147.11699	4.0
149.09546	0.3
149.13263	0.7
152.06172	0.6
152.10715	0.4
153.07001	12.6
155.08583	1.6
157.10094	0.3
163.05487	0.5
165.07014	2.1
165.12785	0.4
169.06494	1.1
175.11185	1.4
179.08563	0.3
181.06485	20.9
182.07234	0.4
183.08061	0.7
191.04942	0.8
191.08504	0.4
195.04459	0.8
196.05182	2.0
197.06000	2.0
207.08031	1.0
209.05986	9.4
210.06755	1.2
211.07547	13.0
212.43729	0.2
212.60173	0.3
218.07196	0.3
219.08043	1.1
221.06017	3.6
221.09500	0.4
222.06718	2.3
223.07588	0.3
224.04697	6.7
225.05469	5.1
225.09015	0.3
233.09604	0.4
234.10437	2.5
235.07570	2.8
237.05515	1.1
238.06262	9.0
239.07037	55.4
240.07364	0.4
241.05405	0.5
246.18547	7.7
249.05533	1.6
249.09261	0.3
250.09926	3.2
252.07779	1.8
253.04948	0.7
254.04637	0.7
264.19586	11.7
265.03979	0.3
265.08673	1.2
265.12247	8.4
266.05844	0.9
267.06531	35.1
268.07199	0.8
269.07050	0.5
276.40231	0.3
282.08875	100.0
282.20309	1.2
283.04865	0.6
283.09564	3.0
287.07959	0.3
301.15814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0889
Annotation	Ofurace
Peak:m/z	Relative Intensity
51.40644	0.1
52.17413	0.1
55.17745	0.1
56.96564	0.2
70.42944	0.4
84.96041	0.7
138.04675	0.2
139.05487	0.2
141.07005	0.4
145.96649	0.2
151.07542	0.3
152.06178	0.8
153.07005	11.6
155.08539	1.0
163.05432	0.3
163.97743	0.2
165.05586	0.3
165.06990	1.6
167.04959	0.3
168.05702	0.2
169.06500	1.0
180.05693	0.2
181.06496	19.4
182.07256	0.1
183.08072	0.5
186.99261	0.2
191.04974	0.7
193.06453	0.2
195.04387	0.6
196.05176	1.9
197.05978	1.6
209.05991	9.8
210.06786	1.0
211.07562	12.0
221.06012	3.3
222.06775	1.6
223.07475	0.3
224.04710	5.5
225.05489	4.1
225.09004	0.3
229.06291	0.3
237.05473	1.1
238.06271	8.9
239.07045	52.3
240.07384	0.6
249.05458	1.7
252.07866	1.8
253.04985	0.2
253.08546	0.4
266.05777	0.8
267.06540	31.5
268.07309	0.9
282.08884	100.0
283.09564	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	282.0886
Annotation	Nitrazepam
Peak:m/z	Relative Intensity
69.25910	1.1
69.26318	0.2
111.92112	0.1
139.05379	0.2
141.06984	0.4
152.06171	0.7
153.07002	12.3
155.08582	1.1
163.05461	0.4
165.07019	1.8
167.05009	0.3
168.05672	0.2
169.06512	0.8
180.05569	0.3
181.06490	19.3
182.07175	0.2
183.08086	0.6
191.04916	0.8
193.06450	0.4
195.04382	0.7
196.05182	1.8
197.06009	1.7
209.05991	9.9
210.06772	1.0
211.07555	12.9
221.05981	3.8
222.06770	2.1
223.07433	0.2
224.04695	5.6
225.05478	4.5
225.09016	0.3
237.05457	1.3
238.06264	8.1
239.07037	52.2
240.07451	0.4
246.84940	0.1
249.05493	1.4
252.07825	2.0
253.04893	0.5
253.08650	0.2
266.05823	0.9
267.06534	32.9
268.07181	0.9
281.08038	0.2
282.08875	100.0
283.09512	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	281.2841
Annotation	6,10,14-Trimethyl-2-methylenepentadecanal
Peak:m/z	Relative Intensity
55.05516	10.4
56.96581	1.4
57.07081	73.7
58.52298	0.6
59.05011	1.2
60.85086	0.7
61.11855	0.7
67.05512	6.4
68.86035	0.7
69.07073	30.3
69.63568	0.7
71.04996	1.2
71.08637	100.0
71.52183	0.9
75.57721	0.7
79.05504	1.6
81.07060	23.4
83.08150	1.3
83.08626	16.5
85.10169	1.1
86.09705	1.6
91.05508	0.7
93.07043	1.9
95.08617	36.0
97.10172	8.1
99.08115	1.0
101.09682	0.9
107.08604	0.7
109.10158	9.6
111.11723	6.6
113.13301	7.1
119.08623	1.0
121.10197	0.9
123.11726	13.9
125.00045	1.2
125.13293	1.7
129.12808	0.7
129.52457	0.9
133.10118	0.8
137.13264	7.7
138.52931	1.0
141.12776	4.1
149.02373	0.9
151.14813	4.4
153.12161	0.8
157.53709	0.8
165.16365	1.2
169.04579	0.9
169.15910	2.7
179.17963	1.3
183.17485	0.8
184.07411	1.5
193.19518	1.1
195.56415	0.6
197.18964	1.1
207.21112	1.6
211.20541	1.1
225.22194	0.8
238.06189	3.4
239.07133	1.4
240.09903	1.0
263.27377	4.9
266.05728	1.5
280.65381	0.9
281.08118	6.7
281.28409	88.0
282.08789	2.2
301.75272	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2476
Annotation	chaulmoogric acid
Peak:m/z	Relative Intensity
53.00294	1.6
53.03935	3.9
54.95810	1.3
55.01868	2.4
55.05272	1.3
55.05515	20.9
55.08170	1.0
57.03440	7.8
57.07079	9.4
59.72211	1.2
65.03915	1.9
67.05508	65.0
69.03424	2.1
69.07073	28.3
71.04977	5.5
71.08634	82.6
79.05491	19.6
79.65454	1.1
81.03439	8.1
81.07062	56.0
83.04996	15.5
83.08621	12.3
85.06529	3.8
91.05483	9.7
93.07046	24.0
95.04970	7.3
95.08613	33.0
96.30515	1.2
97.06525	6.7
97.10149	3.5
99.08096	100.0
105.07032	9.6
107.08604	13.4
109.06525	3.4
109.10160	20.3
119.08568	5.7
121.10143	7.5
123.11707	15.1
125.09604	1.4
127.11206	19.1
133.10089	5.9
135.11703	3.4
137.13234	5.7
139.11098	1.8
141.12744	2.3
145.96620	1.2
147.11681	4.3
149.02371	2.1
149.13258	12.5
150.02664	4.2
151.02834	2.8
151.11183	27.0
153.12743	8.7
161.09650	1.1
161.13271	3.9
163.14830	2.9
165.12830	1.7
165.16463	1.7
175.14908	3.1
181.15935	1.9
185.18365	1.3
189.16409	1.6
198.77528	1.2
224.08261	1.7
225.05524	1.3
238.06244	1.2
239.07062	1.4
245.22653	6.4
263.23718	17.0
269.04474	1.3
281.04669	1.6
281.08209	2.3
281.11551	3.8
281.18982	1.5
281.21829	2.1
281.24768	28.6
281.29517	3.6
282.08582	1.7
282.27679	1.3
291.15170	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02364	1.6
53.03956	7.1
55.01868	4.1
55.05516	35.0
56.96557	2.2
57.03445	32.3
57.07066	2.3
59.04986	1.7
65.03920	4.3
67.05511	95.6
69.03430	4.2
69.07082	19.8
71.04986	3.9
71.51953	1.3
71.52407	1.8
72.08150	4.2
73.06541	1.8
73.93835	1.6
77.09222	1.4
79.05502	100.0
81.03422	11.7
81.07065	69.4
83.04990	35.8
83.08614	12.4
85.06519	3.7
87.04483	1.9
87.27451	1.5
87.60992	1.6
91.04906	2.3
91.05489	70.7
93.07051	86.0
95.04980	29.7
95.08617	44.1
97.02889	2.0
97.06527	9.0
97.10169	6.4
98.97591	4.1
99.08076	1.7
101.06010	2.1
103.05455	2.7
104.60351	1.5
105.04499	2.8
105.07041	54.2
107.04961	6.4
107.08611	23.1
109.06545	12.7
109.10148	13.5
111.08127	3.6
111.11808	1.7
117.07016	9.9
117.07732	1.5
119.08596	28.6
120.78400	1.4
121.06519	4.7
121.10145	6.9
123.08086	12.7
123.11692	2.5
125.09651	1.7
127.07545	4.1
128.06232	4.1
129.07019	24.5
131.08554	5.6
133.06502	2.5
133.10167	16.8
135.08070	2.6
135.11679	4.2
137.09633	3.0
141.09113	2.8
143.08583	13.2
145.10133	16.7
147.08064	4.8
147.10516	2.6
147.11702	48.9
150.02710	3.5
151.02811	2.2
157.10045	1.9
159.11676	2.3
161.09593	9.2
161.13272	18.3
163.03952	3.7
163.11182	2.3
165.09169	2.5
171.11700	37.8
179.14339	1.7
181.04980	8.0
189.12730	15.2
207.10246	1.7
207.13823	22.0
223.13002	1.5
257.13870	1.6
265.12054	1.7
281.08078	9.2
281.11063	3.5
281.17493	62.2
281.22382	3.8
287.64362	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03952	8.2
55.01881	5.5
55.05516	34.3
55.46664	1.2
57.03444	35.4
57.07086	1.7
59.04994	1.2
65.03951	3.8
67.05511	89.5
69.03441	5.9
69.07080	21.0
69.24974	3.5
69.25396	8.6
71.05018	4.3
72.08170	1.9
73.06560	2.9
75.51035	1.2
79.05503	100.0
81.03438	12.3
81.07066	61.9
83.04498	2.5
83.04990	38.2
83.05461	2.6
83.08624	8.8
85.02914	1.7
85.06561	2.8
91.05490	65.9
93.07053	73.6
95.04980	29.4
95.08616	40.5
97.02930	1.4
97.06539	6.7
97.09329	1.1
97.10184	6.8
99.08154	1.6
103.05505	3.0
105.03409	2.0
105.04572	4.5
105.07044	53.4
107.04979	5.7
107.08612	25.9
107.09303	1.8
109.06530	11.0
109.10153	10.1
111.08123	3.7
114.09203	3.3
115.05472	1.5
117.07026	9.7
119.08605	34.1
121.06567	5.4
121.10165	8.0
123.08068	9.8
123.11852	1.6
123.48695	1.3
123.67484	1.3
125.09714	3.2
127.07590	2.1
128.06277	3.6
129.07019	20.8
131.08617	4.1
133.10147	16.2
135.08098	8.8
135.11772	4.7
143.08582	12.9
145.06551	2.1
145.10136	15.0
147.08112	4.2
147.11700	40.8
149.02441	1.5
150.02742	2.2
151.02954	1.9
155.08658	1.5
156.09393	1.9
157.10252	2.2
159.11732	1.6
161.09657	7.1
161.13266	19.7
161.14455	1.9
163.11256	1.7
169.10214	1.5
169.86795	1.3
171.11699	34.7
179.08577	1.4
179.14418	1.9
189.12801	14.1
193.10208	2.0
207.11920	3.1
207.13815	18.7
221.13300	1.4
235.14912	3.0
251.09354	1.5
263.09235	1.4
263.14398	1.7
281.08270	4.0
281.12265	2.8
281.15427	6.1
281.17712	53.5
281.22775	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	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03946	9.0
55.01863	5.5
55.05281	2.3
55.05520	33.6
57.03446	33.1
57.07064	4.0
65.03953	4.2
65.39271	2.0
67.05514	87.0
69.03416	3.1
69.06784	1.6
69.07076	18.2
71.05000	4.8
71.08617	1.7
71.52349	1.9
71.53012	1.9
79.05505	100.0
79.45734	1.7
81.03427	12.7
81.07069	61.5
82.62861	1.8
83.04562	2.9
83.04995	35.6
83.08644	8.4
85.06541	4.2
91.04910	2.6
91.05491	69.4
93.07054	75.7
95.04987	25.4
95.08622	37.4
97.02895	1.9
97.06537	5.3
97.10151	5.5
99.08073	2.8
103.05482	2.4
105.07046	52.9
107.04956	7.0
107.08602	23.6
109.06519	7.6
109.10170	10.9
111.08112	2.8
113.06611	2.0
115.05468	7.5
116.02756	2.0
117.07015	9.7
119.08598	32.5
121.06511	5.1
121.10150	6.6
123.08074	10.4
126.91921	2.0
127.07537	2.2
128.06227	1.8
129.07028	17.2
130.07834	2.0
131.08574	3.6
133.10175	12.0
135.07941	2.1
135.11681	4.9
141.06902	1.9
143.04900	5.0
143.08583	9.4
145.10138	16.3
147.08046	4.3
147.11705	40.0
149.02368	5.7
150.02661	3.7
151.02867	5.3
151.07509	2.8
161.09656	7.0
161.13266	19.1
165.05515	2.0
165.75296	1.8
171.11722	33.9
179.08427	1.8
189.12759	13.6
195.08035	2.1
207.13802	17.1
253.12244	2.4
263.16415	2.6
281.08014	6.3
281.12057	8.7
281.17511	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.0
57.03445	4.8
57.07080	78.5
58.36666	2.5
61.02925	4.5
63.04491	31.5
67.05511	9.2
69.03435	13.9
69.07084	4.4
69.66715	12.3
69.67126	5.9
70.06557	4.0
71.04979	4.0
72.08139	4.9
73.02900	3.4
74.84262	3.1
79.05511	9.0
81.03416	3.5
81.07065	6.1
84.04511	4.0
84.08170	14.7
85.02914	40.0
85.06541	3.8
86.09715	10.7
87.04473	4.0
91.05509	9.1
93.07053	12.4
95.05001	3.1
95.08577	15.0
97.02894	5.7
97.06526	3.5
98.21478	5.4
99.83476	2.7
105.07036	7.1
107.04963	4.2
107.08604	9.1
108.08110	10.8
117.07004	3.9
119.08621	5.9
119.10700	100.0
120.08119	5.0
121.06506	3.0
121.10159	10.1
127.03938	8.8
129.10236	5.1
130.05028	12.3
130.08640	6.2
131.08546	4.2
133.10147	5.0
135.08009	3.1
137.05972	4.9
139.11211	8.9
143.08614	3.2
145.04973	6.1
147.11723	3.5
149.02313	3.7
150.02705	6.0
151.02797	4.3
152.14340	17.5
163.11177	10.4
167.10648	5.0
174.12804	3.6
189.12723	3.2
245.15514	5.7
263.16431	9.0
264.15790	4.2
281.07843	9.9
281.10556	14.1
281.14810	6.0
281.18237	13.8
281.22070	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1501
Annotation	3061-91-4
Peak:m/z	Relative Intensity
53.03950	0.8
53.75252	0.4
55.01875	1.2
55.05516	12.3
56.05040	1.2
56.96565	3.2
57.03438	1.9
57.05822	1.0
58.06608	0.9
59.04989	0.5
60.04525	0.7
60.17377	0.4
61.02935	2.7
67.05505	0.8
67.41663	0.4
68.07877	0.4
69.03426	3.9
69.07073	0.6
70.06596	3.3
71.05003	0.6
71.51480	0.7
71.85094	0.4
72.08163	100.0
73.02935	2.4
73.03271	0.4
74.06104	0.5
79.05496	0.7
81.03429	1.4
81.07079	1.2
82.96427	0.4
83.08625	0.6
84.04510	1.6
84.08151	5.7
84.96043	0.8
85.02913	7.7
85.08478	0.6
86.09705	2.0
87.04477	0.8
88.04001	0.6
91.05479	15.0
93.07047	0.8
95.04958	0.9
95.08637	0.6
97.02913	3.4
98.06055	0.4
98.97587	9.3
99.04482	1.3
101.00807	0.5
101.06031	0.9
103.05465	0.5
105.07028	0.9
106.04997	0.4
107.04955	0.9
109.02887	0.9
109.31396	0.4
110.01275	0.8
110.07150	0.7
110.97588	3.2
116.07149	0.9
116.98630	4.5
118.06541	0.9
118.08664	0.8
118.98096	0.5
119.01822	2.1
119.03626	0.5
119.04950	10.4
119.08539	0.5
120.08116	6.8
120.41002	0.4
121.02856	0.4
121.06516	2.6
121.08450	1.0
122.05987	0.6
123.04433	2.3
123.11786	0.6
127.03889	2.7
128.02328	0.8
128.98608	2.3
129.10246	2.4
131.00151	0.5
131.04977	0.5
133.02846	0.5
134.99689	1.1
135.04446	0.6
136.06276	1.9
136.07588	64.7
137.05986	1.3
137.08026	0.7
143.00182	1.0
145.04967	0.9
146.02345	0.8
146.99625	1.2
147.04410	1.8
149.02345	1.0
149.05783	0.5
150.02670	1.4
150.05492	1.4
150.07770	1.8
151.02823	1.4
151.03920	0.6
152.02289	1.0
155.02852	0.9
158.99683	3.1
161.01251	0.8
161.02818	0.9
161.05775	0.5
162.04117	1.0
163.03966	1.2
164.07056	0.9
165.05565	4.3
165.06853	0.9
166.05063	0.5
170.03314	0.9
170.99698	1.7
173.02859	1.0
177.00693	2.9
177.05392	0.6
181.09877	0.4
182.03394	1.7
182.08154	12.6
182.09761	0.8
182.99706	0.5
189.00720	1.5
190.32777	0.4
191.03902	5.5
191.54037	0.7
193.04404	1.7
194.04706	2.9
200.04436	6.3
200.54675	0.9
201.00734	1.1
202.04988	0.5
207.01770	1.0
207.07899	0.5
209.04982	1.0
211.03142	0.4
219.01749	3.2
222.07663	0.7
231.01799	0.8
234.92131	0.6
235.07613	1.0
235.10710	0.6
235.14400	3.2
236.12909	0.5
237.00656	0.6
237.02782	2.0
239.02090	0.6
239.07001	0.6
240.05455	0.5
249.02818	0.6
249.13527	0.4
255.04045	0.8
264.12357	1.1
277.51193	0.4
279.03830	1.3
279.07477	1.3
281.03146	0.6
281.05743	0.5
281.07928	0.6
281.11417	1.2
281.15323	17.4
299.06003	1.2
299.13052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.05511	0.3
58.06591	0.2
58.49675	0.2
58.79532	0.1
59.04963	0.1
64.09496	0.1
64.40652	0.1
64.88402	0.1
65.03927	0.2
67.05495	0.4
69.03400	0.2
69.07065	0.2
69.90450	0.8
70.06591	0.2
70.44939	0.1
72.08154	0.5
77.03926	0.3
78.04685	0.2
79.05500	2.3
80.05827	0.2
81.03447	0.2
81.07050	0.4
83.04970	0.3
91.05492	4.7
93.07051	0.6
95.04964	0.7
95.08609	0.3
96.05355	0.2
97.06535	0.2
101.06026	0.2
102.05548	0.3
105.03413	0.9
105.04462	0.2
105.07050	0.7
106.04203	0.2
106.05849	0.4
106.06570	7.7
106.07261	0.3
107.04943	0.5
109.02914	0.3
109.06531	0.7
109.53011	0.2
116.04990	6.6
117.07075	0.2
119.06058	0.5
119.08542	0.2
121.10172	0.4
126.31298	0.2
127.03104	0.2
127.65187	0.2
131.08594	0.3
132.04465	0.5
132.08093	0.2
134.06029	100.0
135.06380	0.2
145.10130	0.2
149.09612	0.2
150.02664	0.2
150.10081	0.3
152.07082	4.4
160.07585	1.4
161.05917	0.2
182.07391	0.2
210.06923	0.4
210.27171	0.2
225.09154	0.3
235.07687	0.3
238.06226	0.3
238.09532	0.8
250.09801	0.2
251.06960	0.3
253.08604	0.4
263.18454	1.0
266.09058	1.4
281.08121	2.1
281.11435	5.2
281.19547	0.4
287.25226	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2638
Annotation	linoleamide
Peak:m/z	Relative Intensity
53.03949	3.4
55.01873	1.8
55.05518	8.2
56.05843	0.4
57.07081	14.5
67.05514	12.2
68.00210	0.4
68.05846	2.6
68.06178	0.5
69.03422	0.6
69.07073	11.3
69.37148	1.0
69.37556	1.8
71.08638	0.8
72.04510	1.6
72.08160	2.3
74.09705	1.4
79.05503	3.9
81.03423	9.7
81.07062	15.7
82.06593	0.3
82.07388	2.7
83.04972	1.5
83.08624	6.3
84.04495	1.5
84.08149	0.7
86.06058	0.6
91.05489	2.6
93.07060	2.4
93.07554	0.5
93.74872	0.3
95.04977	6.2
95.08616	10.8
96.08939	2.9
97.06558	0.4
97.10188	2.1
98.06067	4.1
98.20816	0.9
100.07623	0.6
105.07033	4.9
107.08600	1.9
107.09232	0.3
109.06517	1.5
109.10174	5.0
110.10499	1.5
111.11660	0.4
112.07596	0.8
117.06995	0.6
119.08568	1.6
120.13232	0.3
121.10153	0.9
123.08070	1.4
123.11687	1.8
124.12058	0.8
126.09163	1.0
128.10727	0.6
131.08539	0.8
133.06485	0.6
133.10098	1.3
135.11708	0.4
137.09665	0.6
137.13217	0.4
140.10672	0.5
145.10107	1.4
147.11725	1.0
149.02365	3.3
149.09689	0.7
150.02670	3.1
150.13712	0.4
154.12260	1.5
156.17500	0.6
165.12726	0.4
165.16460	0.6
168.13788	0.5
182.15414	0.5
189.16333	0.5
191.10640	0.4
191.86493	0.4
207.17462	0.6
214.74463	0.4
224.20070	3.7
224.22121	0.5
262.18039	8.0
271.96716	0.4
280.23746	4.2
280.26370	100.0
281.26691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2637
Annotation	linoleamide
Peak:m/z	Relative Intensity
51.21307	0.4
53.03947	0.5
55.05516	14.9
56.05023	0.5
57.07080	32.2
58.06602	0.5
65.03948	0.4
65.12518	0.4
67.05509	12.9
67.77645	0.4
69.03436	0.8
69.07073	18.3
69.48445	2.4
70.92035	0.4
71.08627	1.4
72.08138	1.5
74.06069	1.3
74.09721	3.5
78.96555	0.4
79.05510	2.3
79.05898	0.5
81.07061	17.5
82.13521	0.4
83.04984	1.6
83.08150	0.6
83.08626	10.3
85.10181	0.8
86.06062	1.0
91.05471	1.6
93.07050	1.8
95.04986	2.5
95.08614	20.3
96.38142	0.4
97.06539	0.6
97.10175	10.3
98.05437	0.5
98.06065	8.7
99.06859	0.6
100.07619	1.4
105.07018	2.6
107.08588	0.8
109.06520	1.6
109.10168	8.9
111.08088	0.6
111.11743	3.8
112.07613	1.8
119.08583	1.1
123.08094	0.5
123.11743	2.3
125.13286	1.2
126.12798	0.8
130.12288	1.3
131.08598	0.6
133.06529	0.6
133.10138	0.7
140.10681	1.9
142.12337	0.6
145.10176	1.0
147.11736	0.5
149.02338	2.0
149.09615	1.0
149.13269	0.5
150.02696	1.9
151.14812	2.4
154.12253	1.5
155.13045	0.5
156.22528	0.4
161.13335	0.4
168.13910	0.6
179.17950	1.9
189.16382	0.6
191.10745	0.6
196.20660	0.4
216.55017	0.4
224.20110	2.9
252.26859	1.1
262.18073	4.0
280.26367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2635
Annotation	linoleamide
Peak:m/z	Relative Intensity
53.03943	0.7
55.01876	14.1
55.05515	31.3
57.07080	10.4
58.07398	0.4
65.03941	0.4
67.05505	6.4
69.03083	0.5
69.03433	6.2
69.07072	43.2
70.80786	1.0
71.05008	0.6
71.08333	0.3
71.08643	3.2
72.07757	0.5
72.08160	10.5
79.05495	4.1
81.03452	0.5
81.07062	7.0
83.04984	1.1
83.08624	25.1
85.10187	1.0
91.05483	1.9
93.07052	3.1
95.04968	2.4
95.08616	5.3
97.06548	2.7
97.10174	15.8
99.08117	0.6
105.07032	3.9
107.08587	2.9
109.10162	3.7
111.08095	1.5
111.11726	4.2
117.07034	0.6
119.08580	0.7
121.10155	5.6
123.11692	0.5
125.09608	0.6
125.13244	0.8
126.59778	0.4
131.08574	0.9
133.06429	0.5
135.11720	3.1
139.11111	0.5
145.10135	1.4
147.11653	0.5
149.02362	6.7
149.09622	1.2
149.13275	1.2
150.02681	7.3
163.11212	0.3
180.78835	0.4
191.10757	0.5
191.17947	1.0
199.77283	0.4
209.19019	49.0
262.18030	5.9
280.26364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.3
55.05518	31.2
56.05033	4.0
57.07061	4.9
58.06611	1.3
65.03914	1.3
67.05510	34.4
69.03444	2.5
69.07076	34.5
71.08617	1.8
71.30619	1.6
72.04514	2.0
72.08160	6.1
79.05504	15.5
81.07063	49.5
82.06564	2.8
83.04986	3.1
83.08625	21.3
84.08138	4.1
85.06582	1.3
86.06035	2.8
91.05475	10.1
93.07056	14.7
95.04974	11.3
95.08611	38.7
96.08144	6.5
97.10168	8.6
98.09687	3.5
100.07651	6.1
105.04556	1.1
105.07043	19.8
107.08588	8.2
108.08089	2.7
109.06531	1.8
109.10168	16.4
110.09673	4.5
111.11740	2.3
113.14791	1.2
117.07035	2.5
119.08578	4.7
121.10162	9.6
122.09664	1.9
123.08121	1.7
123.11719	4.7
124.11221	2.1
125.40505	1.1
125.55845	1.0
131.08582	3.9
133.06509	2.7
135.11659	5.6
136.11237	3.3
137.13290	1.7
145.10132	5.6
147.11746	1.9
149.02321	12.8
149.09610	3.9
149.13283	2.6
150.02689	11.9
151.14777	1.6
163.11180	2.1
165.16447	1.4
173.09592	1.2
191.10612	2.8
205.39899	1.2
234.22049	1.4
245.22632	1.4
247.24283	1.9
262.18027	25.7
262.25232	7.1
263.23611	1.4
280.09686	3.5
280.26373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2637
Annotation	linoleamide
Peak:m/z	Relative Intensity
53.00301	1.0
53.03940	1.8
55.05515	34.9
56.05030	3.8
57.07084	9.5
58.06591	1.3
60.04522	1.0
65.03928	1.3
67.05513	27.2
67.05865	0.9
69.07072	44.1
70.02908	1.2
71.08627	3.2
71.13215	2.3
71.13560	1.1
72.04521	1.5
72.08140	4.3
72.30614	0.9
79.05500	16.7
80.05031	2.4
81.07066	40.3
82.06567	4.6
83.08151	2.0
83.08621	27.9
84.08123	3.1
85.10181	2.2
86.06085	2.6
90.96508	1.1
91.05487	12.8
93.07058	13.0
95.04983	6.5
95.08617	34.1
96.08140	8.3
97.10172	13.7
98.09671	1.9
100.07611	4.5
105.07050	17.3
107.08596	9.7
108.08084	2.3
109.10165	12.3
110.09663	3.8
111.11712	4.0
111.96277	1.0
117.07001	2.0
119.08589	5.9
120.08077	2.0
121.10138	8.8
122.09663	2.8
123.11720	3.8
124.11222	2.9
129.07010	1.3
131.08569	3.2
132.18304	1.1
133.06500	1.7
133.10152	4.1
134.09637	2.6
135.11705	6.7
136.11223	3.1
137.13239	1.2
138.12770	1.8
145.10143	4.8
147.11710	2.5
148.11211	1.6
149.02328	9.1
149.09636	3.6
149.13219	2.7
150.02695	10.7
150.12796	2.1
151.14775	1.3
162.12706	1.0
163.11192	1.2
163.14816	1.4
165.16385	2.2
173.09526	1.1
175.14786	1.4
178.15825	1.1
210.18359	1.2
244.16847	1.2
247.24223	2.7
262.18018	16.9
262.25345	4.0
263.23538	1.5
280.09641	3.0
280.26373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.3
55.01871	7.7
55.05514	33.2
56.05024	0.9
57.03448	0.8
57.07084	5.1
58.06592	0.6
58.07377	0.7
65.03937	0.9
66.04720	2.8
67.05507	15.4
69.03429	1.4
69.07069	6.3
69.85036	3.1
70.06590	1.1
71.04986	1.5
71.07378	4.2
72.08157	28.7
79.05495	26.8
81.03423	18.2
81.07063	18.7
83.04993	4.7
83.08622	2.3
83.99785	0.7
91.04974	1.2
91.05488	12.8
93.07047	24.1
94.04196	1.8
95.04972	14.1
95.08614	9.0
97.06528	1.2
97.10168	5.6
98.21081	1.6
103.05470	0.8
105.04575	0.8
105.07038	14.1
107.04958	6.1
107.08602	13.1
109.06520	1.5
109.10204	3.1
111.04459	1.0
112.84540	0.6
115.05460	0.7
117.07023	6.4
118.25445	0.7
119.08590	5.5
121.06526	3.9
121.10149	16.5
123.08087	2.5
129.06985	1.1
130.07826	0.7
131.08569	10.8
133.06505	2.2
133.10143	1.6
135.08067	6.7
135.11697	1.9
139.09895	1.5
145.10136	6.4
147.11682	3.9
149.02336	8.0
149.09618	6.9
149.13232	1.3
150.02678	7.0
150.09186	0.7
163.11212	1.0
163.14836	4.4
165.11507	7.5
173.09579	1.0
173.13245	4.6
191.10716	1.0
191.14307	33.5
209.11726	0.9
244.16783	0.9
262.18106	21.6
262.21674	100.0
263.21985	0.7
280.19214	1.2
280.22696	3.5
280.26340	3.0
280.29718	1.0
294.73328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2271
Annotation	Micropine
Peak:m/z	Relative Intensity
50.54143	0.9
53.03952	15.4
55.01876	11.5
55.05513	15.7
57.07079	1.5
60.38456	0.9
66.75027	0.8
67.05507	26.9
69.03427	1.6
69.07060	4.8
69.86317	4.5
71.05000	1.5
72.08158	32.9
79.05498	20.0
81.02930	1.7
81.03419	40.9
81.07059	71.3
82.07429	0.9
83.04973	2.6
83.08620	6.0
88.39122	1.1
91.05492	9.0
93.07045	17.6
95.04964	14.6
95.08058	1.6
95.08615	19.8
96.04498	0.9
97.06518	0.9
97.10169	2.8
98.20863	1.8
98.21407	1.4
102.29552	0.9
105.07039	17.3
106.30465	0.9
107.04951	3.8
107.08601	15.9
109.06509	5.5
109.10164	9.5
117.07021	4.0
119.08598	3.3
121.06577	1.0
121.10149	13.4
123.08045	1.5
123.11685	1.4
129.06992	1.1
131.08572	7.2
132.09323	0.9
133.06560	1.6
133.10295	1.0
135.08049	1.7
135.11694	3.2
143.18391	0.9
145.10118	5.8
147.11725	4.5
149.02374	5.0
149.09631	4.0
149.13316	1.6
150.02673	5.7
163.11197	1.1
163.14824	9.7
173.13283	3.7
182.53343	0.9
188.10625	0.9
191.10736	1.3
191.14322	16.8
201.42450	0.8
262.18097	16.6
262.21674	100.0
280.10431	2.6
280.19272	1.8
280.22751	4.6
280.26343	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2274
Annotation	Micropine
Peak:m/z	Relative Intensity
53.03938	4.6
55.01867	3.1
55.05515	16.8
57.07066	3.4
58.07395	1.0
65.03938	0.8
67.05509	31.2
69.03413	1.4
69.07076	6.3
69.76778	4.4
70.06583	2.3
71.04980	1.7
72.08161	31.6
79.05499	34.0
81.03449	1.7
81.07063	79.6
82.06604	0.9
83.04989	1.6
83.08630	7.7
91.04964	1.1
91.05487	12.0
93.07051	33.0
94.06593	1.0
95.04980	7.2
95.08613	44.0
97.06506	0.9
97.10167	3.0
98.06030	1.4
98.21487	1.4
105.07031	11.4
106.06567	0.8
107.04956	1.1
107.08605	19.9
109.06508	2.2
109.10169	5.5
117.07011	3.4
119.08578	4.4
121.09324	1.4
121.10159	20.8
123.08062	2.1
123.11718	1.3
131.08594	6.6
133.06441	1.1
133.10115	1.8
135.08070	1.9
135.11693	2.8
137.09628	2.8
145.10127	4.6
147.11658	2.4
149.02341	7.1
149.09618	3.3
149.13263	2.9
150.02692	8.2
163.11229	1.2
163.14836	12.5
173.09602	1.4
173.13219	2.4
180.03946	0.8
191.10602	0.9
191.14302	1.7
225.83577	0.8
262.18118	11.2
262.21667	100.0
280.22726	3.9
280.26340	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	280.1909
Annotation	Lycoposerramine G
Peak:m/z	Relative Intensity
51.02378	0.5
53.03941	1.1
55.01870	0.8
55.05514	3.2
67.05515	5.1
69.03416	1.9
69.44939	4.0
70.06593	1.1
71.04969	1.5
71.07381	1.7
72.08160	16.3
73.14716	0.6
79.05492	10.2
81.03410	2.4
81.07060	25.3
83.04997	4.5
86.09711	19.7
87.09459	0.7
87.10043	10.3
91.05487	15.0
93.07050	8.7
95.04978	36.2
95.08585	1.8
96.04527	0.7
97.06524	1.6
98.06081	0.7
103.05457	1.8
105.07038	42.6
107.04951	2.3
107.08613	3.1
109.06534	1.8
111.04433	0.9
116.06247	0.8
117.07018	6.7
119.08591	5.2
120.08105	2.3
121.06482	1.0
121.08479	2.7
121.10155	6.7
123.08075	5.2
129.06984	3.3
130.07777	1.0
131.08580	13.6
133.06509	9.7
135.04437	0.6
135.08073	0.7
138.09151	0.7
139.09921	2.3
144.36870	0.7
145.10127	14.8
147.08031	2.0
147.11678	2.5
149.02338	3.4
149.06023	0.7
149.09627	18.6
150.02670	2.5
163.11163	3.0
166.08687	1.2
167.08995	2.4
167.88004	0.5
173.09631	2.6
180.10190	0.7
191.10725	4.0
209.11801	3.2
220.17046	0.7
244.16957	2.4
261.74414	0.7
262.18036	100.0
280.11691	2.7
280.14407	0.6
280.19293	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	280.1908
Annotation	Lycoposerramine G
Peak:m/z	Relative Intensity
53.03939	1.8
55.01865	1.5
55.05499	3.3
59.68599	0.7
67.05517	6.9
67.06004	0.8
69.03423	1.9
69.54582	0.7
69.84071	4.1
69.84421	0.9
71.04998	1.6
71.07365	2.2
72.07806	1.2
72.08165	13.8
79.05498	12.5
80.09314	0.7
81.03423	2.7
81.06593	1.2
81.07065	21.0
83.04994	4.6
91.05486	17.2
93.07053	10.7
95.04980	41.2
95.08601	2.9
97.06523	1.4
98.39758	0.8
103.05484	1.5
105.07043	52.9
107.04951	3.0
107.08610	2.7
109.06521	1.9
111.04441	1.0
117.07024	5.5
119.08590	4.2
121.06519	1.2
121.10163	9.8
123.08076	3.3
129.06938	1.5
130.07791	1.5
131.08572	16.8
133.06509	11.6
135.08037	2.6
135.11649	1.1
139.09927	2.1
140.10623	0.8
143.08597	0.8
145.10136	18.5
147.08047	2.8
147.11690	1.4
149.09628	23.6
163.11151	4.9
173.09596	2.5
184.11485	0.9
191.10657	5.2
209.11725	2.3
244.17119	0.9
262.18048	100.0
263.18259	1.3
280.19147	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	280.1909
Annotation	Lycoposerramine G
Peak:m/z	Relative Intensity
53.03933	1.7
55.01856	1.4
55.05502	3.1
58.06585	0.8
58.58511	0.7
67.05515	4.1
69.03423	1.2
69.68018	3.9
71.04991	1.5
71.07359	2.3
72.08160	16.9
79.05495	10.8
81.03410	2.6
81.07061	23.2
83.04986	3.5
84.57148	0.8
86.09695	2.3
87.10032	1.3
91.05482	18.5
93.07054	10.4
95.04973	41.2
95.08611	2.1
96.04492	1.1
97.06520	1.3
100.07549	0.7
103.05467	2.5
105.07034	50.9
106.72061	0.9
107.04955	3.3
107.08595	3.2
109.06481	1.4
111.04463	1.0
117.07043	4.7
118.08633	2.7
119.08590	4.4
121.06503	1.3
121.10152	9.8
123.08055	5.9
129.07034	1.8
130.07790	1.6
131.08583	14.8
133.06500	12.9
135.04463	1.6
137.06024	0.9
139.09929	2.6
140.47215	0.7
143.02530	0.8
145.02815	1.6
145.10130	14.0
147.08003	3.7
147.11714	1.1
149.02332	1.0
149.09630	23.5
150.02707	1.5
163.03897	7.1
163.11137	3.9
173.09659	2.9
191.10780	3.9
191.12254	1.0
209.11751	2.9
215.06305	0.8
220.16907	0.8
244.16940	1.7
262.18030	100.0
280.11731	0.8
280.19116	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	280.191
Annotation	Lycoposerramine G
Peak:m/z	Relative Intensity
53.03953	3.9
55.01877	2.8
55.05516	6.5
57.03442	0.7
57.05782	0.6
57.07078	1.1
58.06600	0.6
58.07401	0.7
60.00185	0.6
65.03953	2.3
67.05512	13.7
69.03430	2.3
69.07069	1.6
70.06592	3.1
71.05002	1.2
71.14545	1.1
72.08165	29.1
74.12822	0.5
79.05502	27.5
81.03440	6.2
81.07066	100.0
83.04990	14.8
89.76408	0.5
91.05492	19.8
93.03416	0.9
93.07056	11.5
95.04980	7.4
95.08613	1.6
97.06527	1.4
98.06059	2.3
99.04453	0.7
103.05479	1.5
105.03404	0.8
105.04566	0.5
105.07043	31.5
107.04956	2.2
107.08602	7.8
109.02909	0.8
109.06540	6.3
111.04461	3.5
115.05463	1.2
117.07028	14.2
119.04975	0.5
119.08598	12.9
121.06512	2.3
121.10149	4.2
122.03209	0.6
123.04444	1.4
123.08127	1.1
128.06250	0.7
129.07024	2.1
130.07802	3.8
131.04924	0.9
131.08595	7.8
133.06522	2.6
135.04367	2.7
135.08080	0.8
135.11684	3.1
137.05939	0.8
138.09264	0.6
143.08577	1.5
145.06516	1.6
145.10143	38.3
147.08063	1.9
147.11707	2.3
149.02364	9.0
149.06029	0.9
149.09631	2.5
150.02669	7.4
152.10722	2.6
155.08595	1.8
162.09161	0.5
163.11189	8.5
173.09636	5.8
180.10207	8.2
191.10680	14.2
192.89069	0.5
211.71660	0.6
244.17046	3.0
262.18048	71.5
270.14810	0.5
280.10022	0.7
280.19119	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	280.1911
Annotation	Lycoposerramine G
Peak:m/z	Relative Intensity
51.59781	0.5
53.03942	2.0
55.01876	2.6
55.05513	4.0
56.96578	0.6
57.03442	59.6
57.07087	2.8
58.07404	0.8
67.05511	5.9
69.03427	2.4
69.07076	13.6
70.06588	2.4
70.78058	0.9
70.78393	0.9
72.08164	26.7
74.09748	1.2
79.05502	21.3
81.03414	1.3
81.07066	6.5
83.04976	1.2
91.05487	22.9
93.07046	5.4
95.04974	10.0
95.08631	1.4
97.06539	100.0
98.06048	1.5
103.05465	1.2
103.86861	0.6
105.03410	0.9
105.07043	14.3
105.13307	0.6
107.03776	0.7
107.04967	14.1
107.08613	2.6
109.06546	1.2
115.05455	1.3
117.07023	11.6
117.07756	1.0
118.06564	0.7
119.04951	9.0
119.08576	4.2
121.06516	6.9
121.10165	2.9
128.06284	1.3
129.07042	1.6
130.07799	1.5
131.04959	7.1
131.08591	4.7
132.05719	0.7
133.06502	3.9
135.08063	4.1
138.12840	1.0
139.09941	0.8
143.08569	1.1
144.05702	4.9
145.06496	12.4
145.10127	11.4
147.08038	2.6
147.11705	3.9
149.02357	8.4
149.09637	2.7
150.02693	7.2
150.09221	0.7
155.06049	1.1
155.08549	1.0
158.07288	2.0
161.09660	0.8
163.11252	1.3
173.09642	15.2
188.10855	0.6
189.09241	1.0
191.10686	31.1
216.17506	1.7
220.16983	2.9
237.09010	0.8
244.17056	4.4
262.18048	55.7
280.10120	3.0
280.19122	7.4
280.23932	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1912
Annotation	Lycoposerramine G
Peak:m/z	Relative Intensity
53.03934	1.5
55.05511	3.8
57.07085	1.2
59.24403	0.9
67.05508	6.6
69.03429	1.7
70.06591	1.4
70.21445	2.0
70.21846	2.0
71.04996	1.4
71.07382	2.1
72.08163	19.2
79.05500	11.1
79.70301	0.9
81.03442	2.6
81.07063	27.2
83.04989	3.9
88.05462	1.0
91.05487	18.2
93.07056	9.6
95.04983	39.2
95.08601	2.3
96.04504	0.9
103.05511	1.4
105.07045	53.0
107.04955	1.7
107.08602	3.1
109.06489	1.8
111.04478	1.6
115.60767	1.0
116.06271	1.4
117.06341	1.0
117.07006	4.6
119.08592	3.3
121.10155	10.2
123.08082	6.2
129.06999	1.9
130.07785	2.5
131.08597	15.3
133.06505	10.9
135.08069	1.3
139.09930	3.5
143.08586	1.0
145.10135	13.4
147.08055	3.0
147.11702	1.8
149.02394	7.1
149.09636	23.6
150.02689	5.5
152.09453	1.0
163.11192	4.7
173.09659	3.4
174.33998	1.0
191.10741	4.0
194.80902	1.0
209.11855	2.5
233.03337	1.1
233.05714	0.9
244.16988	1.4
258.21799	1.1
262.18060	100.0
280.09799	1.3
280.18994	6.3
280.26410	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	280.1909
Annotation	Lycoposerramine G
Peak:m/z	Relative Intensity
53.03949	1.8
53.37643	0.5
55.01896	0.5
55.05516	1.3
57.03441	0.6
57.07076	0.6
58.06607	9.9
61.06714	0.5
64.96985	0.4
65.03947	1.4
67.05512	6.1
68.02663	1.2
69.03417	0.8
69.07083	0.6
70.06598	32.4
70.63810	1.7
71.05010	2.5
72.08163	0.8
77.03941	0.9
79.05499	100.0
80.05854	0.6
81.03436	1.0
81.07066	14.1
83.04981	1.4
85.05295	1.3
88.07097	1.0
88.07642	19.7
91.05486	24.2
93.03440	0.5
93.07047	7.1
94.74198	0.4
95.04974	12.4
95.08629	0.9
97.06530	1.2
98.06050	1.5
105.04543	1.0
105.07038	23.0
106.04206	0.5
106.08679	4.3
107.04967	6.1
107.08602	80.5
109.06522	3.5
110.72830	0.5
112.07629	0.6
117.07016	1.3
118.25463	0.5
119.06087	2.2
119.08598	6.0
121.10178	0.6
129.07024	2.2
131.08583	6.1
133.06497	2.0
133.10147	11.6
137.08351	0.9
142.07811	1.2
145.10136	1.4
147.08046	3.9
147.11700	15.7
149.02370	1.5
149.09579	0.6
149.13275	1.0
150.02634	0.8
155.09416	7.0
157.10161	2.9
159.11684	0.8
175.11203	10.0
192.13918	0.7
202.04974	1.4
204.13806	1.4
215.39505	0.5
219.05783	1.0
220.05998	1.9
244.17001	6.8
262.18048	34.4
263.18372	0.7
263.60400	0.5
280.09686	7.6
280.19086	13.2
280.22174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1908
Annotation	Lycoposerramine G
Peak:m/z	Relative Intensity
53.03941	2.7
55.05503	3.7
55.38797	1.0
58.06353	1.3
58.06602	13.4
65.03947	2.4
67.05183	1.3
67.05514	18.4
68.02647	1.9
68.53150	1.0
69.07068	3.2
70.06601	46.4
70.21309	3.6
71.04978	3.3
77.03940	1.3
79.05502	100.0
81.03425	2.2
81.07067	24.2
83.04966	1.5
85.05297	1.8
88.07117	1.1
88.07637	25.0
91.05492	48.6
93.07042	11.3
95.04980	14.1
97.06551	2.7
98.06060	1.1
105.04490	1.4
105.07042	49.0
106.08695	7.6
107.04972	6.9
107.08606	60.0
109.06511	2.6
117.07013	2.7
119.04911	1.4
119.06082	2.8
119.08597	17.0
129.07013	4.6
131.08585	8.8
133.06462	2.7
133.10132	14.7
136.29802	1.2
137.08377	2.5
142.07777	2.5
145.10123	2.8
147.08064	4.9
147.11705	50.6
149.13232	1.0
155.09428	5.2
157.10120	4.9
170.00830	1.0
171.37639	0.9
175.11188	10.9
183.96751	1.2
204.13898	3.1
244.17015	8.6
262.18051	33.9
280.19086	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01868	1.2
55.05521	3.5
57.07065	0.6
58.06606	15.6
65.03937	2.5
67.05511	19.5
68.02652	1.6
69.03433	0.8
69.07072	3.5
70.06598	47.9
70.45105	1.7
71.04993	4.8
72.08150	1.6
77.03933	1.1
79.05499	100.0
81.03416	2.0
81.07060	25.6
83.04983	2.3
85.05278	1.4
88.07639	31.3
91.05487	50.4
93.03410	0.7
93.07050	17.0
95.04974	15.6
95.08584	1.4
97.06533	2.6
98.06081	3.4
99.09821	0.7
103.05515	0.8
105.04527	1.3
105.07040	54.1
106.08681	9.7
107.04963	8.5
107.08601	59.4
109.06513	3.7
109.10215	0.6
112.07614	0.8
115.05445	0.7
116.06236	0.6
117.07043	2.8
119.04927	0.9
119.06108	1.8
119.08587	17.9
120.05752	1.2
121.06509	1.9
121.10174	0.6
122.03203	0.6
123.07064	0.7
128.06223	1.1
129.07004	5.2
131.08583	10.8
133.06485	3.5
133.10136	18.7
136.07533	0.8
137.08380	1.7
142.07788	3.2
145.10124	4.1
147.08060	5.6
147.11699	51.3
149.02365	4.5
149.09697	1.0
149.13292	2.9
150.02687	3.9
150.09196	0.7
155.09427	5.9
157.10127	4.4
175.11191	12.1
192.13789	1.3
204.13840	3.5
244.16991	9.0
262.18048	42.9
280.19107	19.7
280.22217	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1911
Annotation	Lycoposerramine G
Peak:m/z	Relative Intensity
53.03941	1.1
55.01862	1.8
55.05512	3.5
57.07071	1.1
58.06594	1.2
58.07398	0.9
59.05008	0.7
65.47224	0.7
67.05518	6.1
69.03441	5.8
69.24986	5.0
69.25401	1.6
71.05013	1.3
71.07365	2.3
71.08577	0.6
72.08162	16.7
72.83266	0.7
79.05076	0.9
79.05502	10.6
81.03423	3.1
81.06586	1.2
81.07064	23.8
83.04981	6.1
89.67341	0.7
91.05489	19.3
93.07054	10.3
95.04980	29.8
95.08605	1.6
97.06534	2.4
98.06079	0.9
103.05502	1.3
105.03426	1.9
105.07043	45.7
107.04963	2.5
107.08588	3.8
109.06515	2.8
111.04459	0.8
115.05391	1.2
117.07044	4.8
119.08579	4.1
121.06522	1.5
121.10162	9.2
123.08066	6.3
124.07583	0.7
129.07018	0.8
130.07767	0.7
131.08582	16.6
133.06503	12.0
135.08072	1.2
135.11702	1.0
139.09921	2.3
143.08501	0.9
145.10136	14.4
147.08025	3.0
149.02348	8.1
149.09634	22.4
150.02692	7.4
152.12994	0.7
163.11238	3.5
173.09630	2.0
177.08649	1.4
191.10689	3.9
193.08385	0.8
194.62920	0.6
209.11757	2.2
218.04189	0.6
220.16962	1.0
228.60913	0.8
244.17041	1.2
248.12799	1.0
248.97046	0.6
262.18048	100.0
280.10919	0.9
280.19098	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	280.191
Annotation	Lycoposerramine G
Peak:m/z	Relative Intensity
53.03951	4.0
55.01890	6.7
55.05517	16.7
57.03434	1.1
57.07072	2.1
59.16550	0.7
65.03937	3.1
66.40048	0.9
67.05511	23.8
69.03431	9.1
69.07050	2.0
69.48889	2.3
69.49312	3.3
70.06596	5.8
71.04987	2.1
72.08163	47.2
79.05500	39.9
79.05968	1.4
81.03410	4.2
81.07067	20.1
83.04989	8.7
91.05488	41.3
93.03409	3.9
93.07054	28.6
95.04982	16.7
95.08593	3.3
97.06517	2.5
98.06036	3.7
103.05479	5.5
105.03391	1.4
105.04517	1.5
105.07040	71.8
107.04961	10.8
107.08601	8.6
109.06527	17.5
115.05455	3.4
116.06224	2.8
117.07026	22.9
118.43594	0.9
119.04956	3.1
119.08576	12.9
121.06502	2.1
121.10145	9.5
124.07599	1.8
126.09138	1.2
129.07018	7.4
130.07808	4.3
131.04938	5.6
131.08574	43.9
133.06497	9.2
133.10202	0.9
135.11659	1.7
138.09140	1.4
139.09914	0.9
140.10654	1.2
143.08557	3.6
144.05708	2.5
145.06488	11.9
145.10129	43.0
147.08055	2.0
147.11691	27.4
149.02356	9.2
149.09636	18.0
150.02675	8.9
150.09225	1.1
155.06062	1.7
155.07469	1.1
155.08556	6.6
158.07288	3.7
163.11182	2.8
164.10666	1.6
173.09644	34.2
191.10678	4.3
216.17448	1.1
222.10045	1.2
244.16983	28.9
249.09099	2.7
262.18045	100.0
280.10559	5.6
280.13498	1.5
280.19061	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	280.1908
Annotation	N-Oxyhuperzine Q
Peak:m/z	Relative Intensity
53.03957	0.8
55.01875	1.3
55.05500	2.4
57.25224	0.7
67.05518	4.6
69.31978	6.3
71.04977	1.8
71.07385	1.6
72.08160	14.2
79.05494	11.2
81.03424	3.1
81.07060	17.7
83.04984	3.4
89.03882	0.8
91.05485	18.6
93.07053	11.0
95.04974	37.0
95.08608	1.6
97.06513	1.4
103.05473	1.3
105.07035	54.5
107.04998	1.6
107.08619	3.5
109.06553	1.5
111.04473	0.8
117.03387	1.3
117.07011	3.8
119.08621	3.8
121.10152	11.5
123.08078	3.1
129.06996	2.2
130.07800	1.5
131.08578	16.5
133.06496	10.6
135.08064	1.1
135.11714	1.0
139.09941	2.6
140.10716	1.0
145.02859	3.6
145.10126	15.7
147.08046	3.1
147.11652	1.3
149.02357	1.9
149.06047	1.2
149.09627	25.9
150.02693	0.9
150.99925	0.8
163.11150	3.9
172.52510	0.8
173.09639	2.2
177.05446	8.3
182.37686	0.8
191.10690	3.9
209.11705	2.4
262.18033	100.0
280.19128	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	280.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03491	0.3
55.05521	2.0
56.05035	0.5
56.05836	0.8
56.39487	0.3
57.07067	1.5
58.06600	0.7
58.07407	0.4
58.68432	0.4
58.99594	0.6
59.05011	0.6
60.04523	0.6
61.02917	1.1
68.20329	0.3
68.51546	0.3
69.07050	0.6
69.96365	1.7
70.06592	1.4
71.04989	0.8
72.08160	1.7
74.06077	0.9
76.02201	0.4
78.32921	0.4
79.05483	1.1
81.07059	2.9
82.04064	0.4
83.08608	1.3
84.04501	0.9
84.08155	4.5
84.08957	0.7
86.09700	3.2
86.99065	0.6
88.03983	1.0
94.04075	0.7
95.04982	0.5
95.08656	0.4
98.97602	0.5
101.07100	0.4
106.05019	0.3
109.05138	2.9
116.01669	1.9
117.02007	1.1
120.08080	0.5
122.03218	0.4
129.10239	1.4
133.05107	2.2
133.06033	0.7
137.06036	0.6
144.01184	1.0
145.01439	0.8
149.02353	6.9
150.02699	5.5
150.07762	100.0
154.05006	1.4
162.02235	3.2
163.02592	2.4
164.09421	0.5
166.07292	0.5
177.05510	0.4
193.04439	0.4
248.15094	27.8
249.88652	0.5
263.11523	1.9
280.11078	1.2
280.17722	61.2
295.33148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.5
57.07080	1.6
57.47385	0.3
58.06605	100.0
64.41375	0.3
69.03463	0.5
69.38440	2.7
70.06595	0.4
71.07369	0.9
72.04522	1.4
72.08150	0.7
74.82886	0.3
75.32967	0.3
79.05521	0.7
81.07060	0.5
84.08156	0.7
91.05508	1.3
105.03422	0.4
105.07037	0.4
120.08127	2.7
136.03912	0.5
136.06230	0.6
144.05675	0.5
146.07291	0.4
149.02347	7.4
149.23097	0.4
150.02695	8.2
150.06699	0.4
151.07544	0.5
154.05011	5.0
158.07303	0.8
160.07651	0.5
160.08833	0.7
163.07549	0.8
166.08649	0.7
172.07603	0.4
174.06769	2.0
174.09100	0.4
175.07503	0.9
177.09099	2.7
177.10417	0.4
188.10695	0.4
189.09126	4.9
190.10143	0.5
190.26534	0.3
191.10687	1.5
192.10199	1.7
193.04483	1.7
206.11639	0.4
207.10294	0.8
207.12598	1.5
208.13089	0.4
220.07381	1.2
222.08864	1.0
235.09712	1.3
236.16484	4.4
237.11232	3.1
246.07599	0.6
249.13667	0.9
250.10594	0.4
262.14514	1.1
262.18140	0.5
263.10117	0.4
265.13190	1.6
280.15466	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	280.1546
Annotation	Caulophyllumine A
Peak:m/z	Relative Intensity
56.05050	0.6
57.07074	0.9
58.06605	100.0
64.67058	0.3
66.10851	0.3
69.82717	1.6
70.06590	0.4
71.07390	0.8
72.04533	1.4
79.05500	0.6
79.72722	0.3
86.53908	0.4
92.40926	0.3
111.39079	0.4
120.08068	0.6
124.46792	0.4
145.06482	0.4
146.07335	0.4
147.04375	0.3
147.08092	0.6
147.13164	0.3
149.02359	3.7
150.02722	2.6
151.07593	0.6
154.05025	0.4
158.07346	0.4
159.08041	0.5
160.08846	1.1
163.07532	0.8
165.04832	0.8
174.06781	2.0
174.09137	0.4
175.07597	1.3
177.09094	3.5
177.10228	0.3
189.09135	4.8
189.11598	0.5
190.09952	0.6
191.10672	1.4
192.10194	1.4
193.04330	4.1
193.08614	0.9
195.10310	0.5
206.11765	0.6
207.10242	0.5
207.12561	1.7
211.54099	0.4
217.08650	0.8
220.07379	1.4
220.13448	0.7
222.08946	1.2
235.09679	2.2
236.16452	5.1
237.11209	3.3
249.13707	1.0
262.14447	1.2
265.13113	1.7
280.15457	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.05509	1.0
56.96558	0.5
57.03382	0.2
57.07074	0.7
58.07427	0.3
58.99593	0.5
60.54838	0.2
66.37469	0.3
69.07082	0.4
69.68044	1.0
69.68456	0.7
70.06597	0.4
79.05514	0.4
81.07078	0.5
84.08138	0.3
85.83569	0.3
87.02704	3.5
91.05478	0.5
93.05781	0.3
98.97567	0.6
104.05307	0.3
105.07022	0.6
106.06606	0.3
107.07301	0.4
108.04489	0.6
109.10120	0.3
118.06567	1.7
119.07354	0.5
120.08128	5.2
121.08902	7.6
122.09676	2.6
122.94520	0.3
130.06546	0.4
132.08099	2.3
133.08867	0.9
134.09656	1.5
134.45233	0.3
136.07607	0.7
144.24608	0.3
145.08888	1.6
146.09665	14.4
147.10469	4.2
148.11227	14.8
149.02374	4.2
150.02704	3.8
151.03954	1.8
159.10457	0.6
160.11252	1.2
161.12056	0.7
172.11191	0.6
174.12808	3.9
176.14372	8.6
179.09442	0.3
190.08665	0.4
192.10249	1.3
202.15797	0.4
208.09546	0.3
208.11588	10.3
210.05884	2.5
236.14708	15.9
252.11041	0.4
259.05588	0.3
280.13687	100.0
281.13983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08561	0.4
56.05039	3.7
57.02341	0.4
57.07077	1.2
58.17936	0.4
59.93096	0.4
65.03942	0.7
70.06588	0.6
71.52036	0.6
79.51110	0.4
81.07089	0.5
84.04515	81.3
85.02922	1.4
86.09721	0.5
91.05492	58.3
98.06048	0.9
98.97584	0.4
102.05557	20.8
107.51125	0.5
116.07108	7.0
121.06555	0.4
137.06044	0.7
142.51974	0.4
144.06577	100.0
149.02391	4.0
150.02673	4.6
150.09161	0.4
151.03893	0.7
162.07639	17.9
195.61682	0.4
220.09737	6.1
234.11435	0.4
237.09041	0.5
248.09396	2.0
262.10776	0.6
280.07751	0.8
280.11694	2.4
280.19064	0.7
281.08066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2321
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.05513	8.4
56.76767	0.8
57.07085	8.6
57.19973	0.7
62.50290	0.6
65.03946	2.6
67.05510	94.5
69.03404	0.7
69.07076	9.0
69.32586	2.9
69.33015	2.4
71.05002	1.0
78.61982	0.7
79.05501	10.2
81.07065	100.0
83.04989	0.9
83.08614	5.1
85.06541	1.3
91.05490	2.8
93.07047	7.9
95.08614	72.9
97.06490	1.0
97.10191	2.3
99.08053	0.7
105.07043	2.4
107.08607	6.2
109.06549	0.8
109.10165	45.5
111.11761	0.7
117.06952	0.7
119.08601	2.9
121.02888	2.3
121.10149	6.3
123.08130	1.2
123.11720	27.2
131.08560	2.7
133.10164	2.3
135.11673	3.5
137.09624	1.7
137.13258	9.3
139.11189	0.9
145.10182	1.8
147.11656	1.8
149.02356	61.3
149.09665	1.1
149.13249	2.2
151.14851	2.4
159.11708	1.7
161.13223	1.6
163.11218	1.2
163.14867	1.0
165.12744	1.5
165.16377	1.0
167.03407	1.1
173.13297	3.1
177.16483	1.0
179.14392	1.1
181.12263	0.9
187.14838	2.6
191.14278	1.2
193.10843	0.7
195.13805	2.3
201.04530	1.0
209.15427	1.7
219.05655	1.0
223.16930	2.4
237.18509	1.4
243.21036	2.0
255.91994	0.7
261.22101	3.9
279.09460	3.0
279.23218	42.5
280.26328	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	279.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25362	0.7
53.03950	3.9
54.04267	1.8
55.01862	2.3
55.05276	0.9
55.05516	13.8
56.05023	1.6
56.05855	4.1
57.07085	4.3
58.76622	0.7
65.03941	1.2
66.14865	0.6
67.05511	17.3
67.46235	0.6
68.02646	0.7
68.05848	5.4
69.03436	2.7
69.07059	3.3
70.06587	2.1
70.52280	0.8
70.52601	1.3
71.04993	1.7
71.07377	5.4
72.08160	31.9
73.07841	0.9
73.08488	9.0
79.05500	40.6
80.05830	19.3
81.03404	4.9
81.07062	17.2
82.03744	1.8
82.07398	7.7
83.04985	1.2
83.08575	0.8
88.42921	0.7
91.05489	28.2
92.05817	16.6
93.07051	57.0
94.07381	39.2
95.04981	5.5
95.08618	12.2
96.04508	1.4
96.05306	2.8
96.08949	5.8
97.06502	0.8
98.06065	1.5
101.56537	0.7
104.05839	0.8
105.04529	1.2
105.07038	13.7
106.07368	11.3
107.04968	2.7
107.08595	6.6
108.05270	1.1
108.08959	4.6
109.06522	1.1
117.07033	3.5
118.07354	3.0
119.07800	1.3
119.08591	15.2
120.08116	1.3
120.08928	15.7
121.02849	1.9
121.06493	2.8
121.10153	18.3
122.06830	1.7
122.10485	19.0
124.07572	1.0
128.06227	0.8
129.07056	1.1
130.07326	2.1
131.08542	2.9
132.08911	3.1
133.06514	2.1
133.10147	5.8
134.06882	1.0
134.10466	6.1
135.08075	1.3
136.08415	0.9
139.09943	6.9
140.10243	6.4
143.08557	3.2
144.08900	2.9
145.10132	2.0
146.10461	4.4
147.08040	1.4
147.11707	2.7
148.08365	2.7
148.12045	6.1
149.02347	28.7
152.10738	1.4
161.09697	0.8
161.13277	13.1
162.13605	31.2
163.14813	3.5
164.15199	4.8
166.11897	1.4
171.11726	1.2
172.12035	2.9
188.08464	0.9
189.12709	2.1
190.13040	4.8
204.07776	1.0
219.10091	1.4
261.20450	100.0
279.21133	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	279.1706
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
50.30783	0.3
54.96491	0.3
57.07081	6.0
57.17842	0.3
65.03944	0.4
69.07069	0.8
70.06592	0.5
70.16475	0.8
70.16871	0.9
76.93658	0.3
79.05507	1.0
80.59077	0.3
84.04417	0.3
84.08155	0.4
86.06081	0.4
86.09714	100.0
91.05485	0.5
92.34425	0.3
95.04964	0.3
95.08634	0.4
96.83260	0.4
98.21616	0.5
103.05460	0.9
105.07011	0.3
119.04948	0.8
119.08586	0.6
120.08118	20.1
121.02880	1.4
131.04958	0.5
141.94885	0.3
146.97504	0.4
147.04411	2.9
147.08101	0.4
149.02359	39.2
166.08656	10.6
167.03477	0.8
190.07846	1.0
191.08533	2.0
205.08665	0.9
208.83415	0.4
218.07298	0.6
219.08025	2.1
233.16585	0.9
236.08438	0.8
247.07570	1.1
251.10640	4.6
279.10275	5.1
279.17047	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	279.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.3
57.05795	0.3
57.07079	3.3
58.06600	0.6
66.39263	0.3
67.05492	0.5
69.07076	10.5
69.83853	1.3
70.06598	0.3
79.05505	0.5
84.08159	0.3
86.09713	100.0
87.10045	0.4
91.05499	0.5
93.07058	0.2
95.08597	0.2
97.02912	0.3
98.97586	0.4
101.65073	0.2
103.05486	0.3
105.03379	0.3
107.05007	0.3
108.11710	0.3
119.04938	0.6
119.08570	0.3
120.08113	6.6
121.02885	0.7
123.04448	0.4
126.58007	0.2
147.04413	1.9
149.02357	23.1
166.08672	4.9
167.03505	0.4
196.95766	0.3
202.56476	0.2
205.08641	0.4
233.16475	0.6
251.10498	0.4
258.05481	0.3
261.03391	0.3
267.06772	0.2
278.55408	0.3
279.08759	0.3
279.17078	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	279.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	35.4
55.34888	0.6
57.07078	1.5
57.17130	0.6
58.99586	13.4
61.01140	0.7
66.45432	0.6
70.26362	2.4
73.01133	2.6
76.02229	5.0
76.03997	3.0
77.03994	0.7
81.86060	0.6
83.08623	28.7
86.99054	13.2
88.02213	3.6
101.09638	2.2
115.05871	0.8
116.01682	55.8
117.84648	0.8
144.01155	24.7
149.02325	9.5
154.85023	0.6
157.13420	0.6
159.08394	8.5
162.02209	100.0
237.51402	0.7
244.10088	1.5
262.11108	32.4
279.13693	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	279.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51214	0.2
53.03948	0.6
57.07079	2.7
58.02958	0.5
62.43504	0.2
67.04295	0.2
70.96766	0.5
72.08159	0.3
77.03915	0.3
79.05504	0.4
79.68565	0.2
81.07070	0.4
90.85403	0.2
91.05503	0.4
91.95569	0.2
95.04971	0.6
98.21019	0.3
99.47783	0.2
101.61659	0.2
103.05470	0.3
105.03401	12.6
105.07028	0.2
115.05473	0.6
117.05736	0.3
117.07025	3.6
118.06546	0.3
118.55973	0.2
121.02854	0.5
125.14165	0.2
136.07585	4.9
139.90877	0.2
143.07323	2.1
144.08095	100.0
145.08403	0.2
147.04453	0.4
149.02359	17.3
155.06065	0.8
162.09171	0.6
167.03426	0.4
181.36414	0.2
203.45323	0.2
219.05669	0.6
220.11528	0.2
229.08676	0.3
230.09644	0.4
233.08435	1.0
236.10692	1.4
248.10721	1.9
279.09485	1.3
279.14951	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	279.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24035	0.4
54.61644	0.5
55.05520	0.6
56.05040	1.7
56.96576	1.6
57.07084	16.2
58.06599	0.8
61.01154	0.6
65.03950	1.7
67.05511	2.0
69.03439	1.2
70.06598	34.2
71.08640	1.6
71.51783	0.9
72.08173	1.5
79.05495	4.5
81.07061	2.3
84.08147	1.9
85.02934	1.2
86.09743	0.9
88.94711	0.5
91.05489	17.6
95.05010	0.8
95.08600	1.0
97.02879	0.8
98.97590	8.5
98.98200	0.6
104.05330	2.3
105.03381	1.4
105.54851	0.4
107.04958	1.3
109.06541	0.7
109.10149	1.1
110.07166	1.1
110.97578	1.5
112.02187	0.6
114.05545	3.4
116.07103	67.9
116.98631	2.9
118.06602	0.6
119.04950	13.2
120.08127	0.8
121.02869	5.5
121.06490	1.1
123.04413	0.8
128.98633	1.6
129.10216	0.9
134.99690	0.8
136.07591	74.3
145.06485	0.6
146.99673	0.6
147.04411	4.6
149.02356	100.0
158.02692	1.2
158.99640	2.7
163.03888	0.6
167.03442	3.7
170.99626	1.5
177.00697	3.6
189.00729	1.6
192.03566	0.7
205.08633	1.3
207.01793	0.8
237.02850	0.9
261.12070	0.7
262.10825	2.6
279.04144	1.1
279.10239	0.9
279.13403	14.9
279.16116	2.6
279.23206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24831	0.6
52.96170	0.5
55.05493	0.5
57.07083	14.0
58.06588	0.6
65.03947	0.7
67.05513	0.6
69.43060	3.3
72.08172	0.9
79.05502	1.0
81.07070	1.0
91.05482	1.3
93.07056	1.0
95.08614	1.0
105.03419	1.1
105.06998	0.5
109.10159	0.6
111.04382	0.6
115.05481	1.2
117.07062	0.7
121.02888	4.2
121.03680	0.6
121.10077	0.6
128.06194	0.9
129.07050	1.0
131.08595	0.6
143.04932	1.0
144.05707	1.4
145.06500	14.2
149.02364	100.0
157.02888	0.9
158.07303	1.0
159.08099	5.2
161.05937	1.3
161.09644	0.6
167.03410	1.3
172.05208	0.6
173.06013	8.0
174.06818	1.5
175.07622	1.1
187.07582	5.5
188.08350	39.1
189.05493	12.7
189.09125	3.9
198.06749	4.0
201.05505	3.2
202.09958	2.0
203.07010	0.8
204.07849	37.6
205.08505	1.8
216.07877	0.7
218.07562	0.6
218.09464	1.9
219.10188	73.2
220.10612	0.9
231.10191	30.8
233.11758	1.0
247.07234	1.0
249.11230	5.5
256.07657	1.1
261.11362	1.2
279.09796	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24356	0.7
57.07082	10.3
65.03928	1.1
67.05495	2.7
69.07079	0.8
70.76077	1.4
77.68228	0.8
79.05492	1.0
81.07046	2.1
91.05492	1.3
93.07008	1.3
95.04993	1.0
95.08618	1.6
98.21555	0.8
107.08576	1.1
109.10151	1.5
110.67274	0.7
115.05470	1.2
121.02857	2.1
129.07004	1.4
137.09605	2.8
142.07756	1.0
143.04930	1.0
144.05731	1.4
145.06499	15.7
149.02359	60.9
156.05659	1.6
157.02766	1.0
157.06494	0.7
158.07298	2.1
159.08078	8.0
160.08768	1.0
161.06023	2.0
171.08076	0.8
172.05159	1.7
173.06027	10.7
174.06798	1.8
175.07516	2.3
187.07553	7.7
188.08340	54.5
189.05479	17.1
189.09105	5.5
191.08559	1.1
198.06679	3.9
201.05484	4.0
201.09122	0.8
202.09888	4.5
203.07047	1.9
203.10681	0.9
204.07835	49.2
205.08627	1.3
215.07040	1.0
216.07831	1.5
218.09344	2.4
219.10178	100.0
223.07407	0.7
231.10181	43.3
233.11688	3.6
236.08110	0.9
248.08334	1.0
249.11200	8.2
251.10643	1.1
261.11234	1.4
264.07864	1.6
279.06586	3.0
279.10001	8.0
279.12555	1.6
279.19455	2.4
279.22842	1.1
292.12228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1229
Annotation	Coriamyrtin
Peak:m/z	Relative Intensity
53.03950	0.5
55.05524	0.8
56.79571	0.3
57.03442	0.6
57.07082	15.4
59.04986	0.5
59.62224	0.3
65.03942	1.0
67.05508	2.2
69.07072	1.0
69.84982	0.5
69.85390	1.5
70.41077	0.3
71.05002	0.5
71.08629	0.5
71.52657	0.4
79.05496	1.6
81.03444	0.5
81.07059	1.6
83.04976	0.7
87.24518	0.3
89.16544	0.4
91.05469	1.8
93.03400	0.5
93.07028	2.3
95.04998	0.6
95.08617	1.5
97.06558	0.3
98.20721	0.4
98.97562	0.8
99.86241	0.4
105.03369	0.5
105.07028	1.2
107.04978	0.5
107.08601	1.1
109.10172	1.2
115.05466	0.5
117.06991	0.8
119.08604	0.8
121.02871	4.2
121.03959	0.8
121.06509	1.1
128.06216	0.8
129.07002	0.8
131.08607	0.7
133.06494	1.6
133.10147	0.7
135.08026	0.5
137.05983	6.9
137.06947	0.6
139.31839	0.3
143.08598	0.5
145.06479	0.8
147.04436	0.8
147.08072	0.9
148.05240	0.7
149.02357	100.0
149.05916	3.7
151.07516	0.4
153.05547	0.3
154.07899	0.4
157.06563	0.5
159.08109	0.9
161.05991	3.7
161.09630	0.6
163.03938	0.5
165.09122	2.7
167.03407	1.9
167.07076	1.2
173.09651	0.5
175.07594	1.3
177.05501	0.9
178.06238	2.6
179.07080	1.9
187.11150	0.5
189.09149	4.4
190.05006	1.0
191.06964	0.5
191.10620	0.7
192.07779	0.7
193.08620	24.2
195.06548	2.5
201.09076	0.8
203.07092	1.3
203.69899	0.4
204.07774	0.4
205.08621	1.4
207.10208	5.5
217.08653	3.9
219.06578	1.8
219.10143	2.0
223.09715	0.6
233.11613	0.6
235.09674	54.4
236.17381	0.5
237.17531	1.5
243.10117	0.7
244.27615	0.4
261.11249	2.5
279.09500	2.3
279.12332	15.5
279.18533	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25040	0.3
54.70375	0.3
57.07080	13.9
65.03934	0.9
67.05516	1.2
69.85934	1.6
71.08619	0.4
72.08163	0.5
76.73458	0.3
79.05514	1.0
81.07065	1.2
87.40749	0.3
91.05489	0.9
93.03384	0.4
93.07053	0.8
95.08612	1.5
98.21484	0.7
98.97572	0.4
100.46776	0.4
105.07036	0.9
107.04966	0.5
107.08624	1.0
109.06579	0.6
109.10139	0.5
115.05467	0.4
117.06975	0.7
119.08623	0.5
121.02872	4.2
121.04025	0.6
128.06209	0.6
129.06996	0.8
131.08582	0.9
133.10127	0.5
137.05992	0.7
141.07024	0.4
143.04926	0.8
144.05696	0.9
145.06490	8.6
145.10078	0.4
147.04393	0.4
149.02353	100.0
150.02747	0.4
157.02997	0.4
157.06474	0.7
158.07233	0.4
159.08049	3.5
161.05995	1.1
167.03415	1.6
173.06020	5.0
174.06766	1.0
175.07590	0.9
177.05409	0.4
187.07541	3.7
188.08336	28.4
189.05487	9.8
189.06772	0.3
189.07253	0.4
189.09052	2.3
190.04926	0.7
191.08548	0.9
193.08574	2.1
198.06841	2.5
201.05431	1.7
202.09927	1.4
203.07054	0.9
204.07837	26.0
205.08554	1.8
207.10214	0.4
216.07823	0.9
218.07390	0.5
218.09444	1.4
219.10172	50.9
231.10172	22.1
233.11674	1.1
235.09685	4.6
236.08366	0.6
241.61691	0.4
247.07466	0.6
248.08319	0.4
249.11270	4.8
251.10667	1.2
261.11218	1.1
261.18597	0.6
262.21680	0.6
264.07788	0.5
279.01160	0.4
279.06528	0.9
279.09982	3.7
279.12439	1.2
279.15720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07083	6.7
64.68128	0.6
70.87492	0.9
70.87836	1.1
74.71970	0.5
81.07063	0.8
91.05477	1.0
97.95077	0.6
106.00355	0.5
106.52185	0.5
115.05435	1.2
117.07013	0.7
121.02847	1.6
128.06197	1.0
129.06998	1.5
131.08566	0.9
143.04935	1.3
144.05727	2.2
145.05629	0.4
145.06488	17.9
149.02359	41.8
151.07678	0.6
156.05692	0.6
157.02818	1.3
157.06445	0.9
158.07323	1.4
159.08066	6.7
161.05988	1.8
165.79601	0.6
172.05203	1.4
173.05994	10.9
174.06775	2.3
175.07585	1.7
187.07520	7.5
188.08345	54.8
189.05496	20.3
189.09125	3.9
191.10654	0.6
198.06766	5.0
201.05475	3.5
202.09949	2.7
203.07048	1.5
204.07843	48.0
205.08507	0.9
216.07877	1.3
218.09445	2.2
219.10179	100.0
220.10506	0.6
231.10179	40.5
233.11778	1.8
249.11284	7.3
261.11282	0.7
279.09784	2.1
279.12564	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72445	0.5
57.07084	12.4
65.03936	0.9
67.05503	1.4
70.60146	0.5
79.05487	1.4
81.07075	1.3
91.05505	0.9
93.07043	0.7
95.08627	0.8
98.20712	1.0
98.97572	0.5
105.07034	1.1
109.06519	0.5
109.10155	0.6
115.05455	0.7
117.07021	0.6
121.02878	3.8
121.03970	0.6
129.07054	0.9
131.08553	1.1
131.70262	0.5
133.10187	0.6
136.50061	0.4
141.07036	0.6
143.04922	1.6
144.05717	1.1
145.06496	12.7
149.02356	100.0
156.05693	0.6
157.06491	0.7
158.07297	1.7
159.04471	1.1
159.08057	6.2
161.05972	1.3
161.09637	0.5
167.03427	2.2
172.05164	1.1
173.06000	8.3
174.06755	2.0
175.07571	2.1
187.07542	5.7
188.08339	44.6
189.05484	14.6
189.09129	4.7
190.04953	0.6
193.08641	1.6
198.06764	3.0
201.05527	3.7
202.09872	2.5
203.07019	1.7
204.07837	37.6
205.08636	1.2
207.10036	0.6
216.07802	1.1
218.09425	1.7
219.10178	79.2
228.98984	0.6
231.10182	36.1
232.53604	0.5
233.11769	2.0
235.09694	4.7
241.34703	0.6
249.11263	6.6
261.11185	1.8
279.09839	1.8
279.12393	1.8
279.15915	0.6
279.19540	0.8
279.23126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96298	0.7
56.96568	7.5
69.87646	2.2
71.95291	1.3
84.96042	1.7
85.02930	0.8
97.02938	0.6
98.97594	100.0
102.96931	0.6
110.07175	0.8
110.97582	22.4
112.99139	1.3
116.98634	23.0
124.99148	2.0
128.98619	13.5
134.99675	3.6
140.98668	1.4
143.00171	3.9
146.99677	3.3
149.01274	0.9
149.02353	4.0
152.98698	0.5
158.99675	45.2
161.01335	0.6
163.03952	0.7
170.99695	11.5
177.00739	30.7
189.00737	19.1
195.01817	1.8
200.02252	0.8
201.00766	1.0
207.01807	8.6
219.01793	8.3
237.02840	15.1
249.02943	1.6
253.11191	0.5
255.03902	7.5
260.04358	0.5
271.12247	0.7
274.93085	0.5
278.96884	0.9
279.03925	12.3
297.04996	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	279.0934
Annotation	Triphenylphosphine oxid
Peak:m/z	Relative Intensity
53.03930	0.7
57.07064	0.7
65.14497	0.2
71.26389	0.5
77.03973	0.8
88.70673	0.2
95.00484	0.4
95.04945	0.6
105.04485	0.6
121.02853	0.3
122.99941	0.3
128.06190	0.6
129.07030	0.7
133.02017	0.3
141.00963	0.5
149.02354	6.2
152.04291	0.2
152.27893	0.2
154.07782	0.6
159.91469	0.2
171.03542	1.1
173.05170	6.2
183.03577	0.7
193.27556	0.2
201.04651	32.7
202.05196	0.2
219.05707	37.0
220.06030	0.3
242.07312	0.6
253.78543	0.2
279.09341	100.0
280.09595	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63367	0.4
56.96568	4.4
59.57688	0.4
69.36552	2.5
69.36962	0.9
70.06590	0.9
70.98120	0.4
71.95260	1.1
74.15939	0.4
84.08152	0.6
84.96037	0.6
89.35268	0.4
98.97594	100.0
101.33466	0.5
110.97581	28.0
112.99126	0.6
116.07087	0.5
116.98633	25.0
121.01653	0.7
125.90041	0.4
128.98622	15.0
128.99583	0.8
129.43434	0.4
129.84531	0.4
130.08679	0.6
131.00206	0.6
134.71524	0.5
134.99664	3.9
140.00194	0.8
143.00230	0.9
146.99672	3.5
149.02391	0.8
158.99672	47.9
163.02748	0.5
163.03989	0.5
170.99678	15.2
177.00731	33.9
188.24568	0.4
189.00734	24.3
195.01810	1.8
200.02380	1.5
201.00781	0.8
207.01799	11.4
212.02400	0.6
219.01794	7.2
225.03000	0.7
237.02858	7.7
249.02953	1.8
255.03810	2.4
275.06052	0.6
279.03937	8.3
279.07153	0.6
297.05029	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	279.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60595	0.4
56.96570	10.1
57.02822	0.4
57.41647	0.4
59.47255	0.4
65.43526	0.4
66.54711	0.4
70.29431	1.5
71.95260	0.8
72.77541	0.4
84.96050	2.6
98.97596	100.0
105.41248	0.4
110.97592	6.1
112.99152	1.7
116.98635	25.1
119.66507	0.4
122.67319	0.4
124.88285	0.4
124.99126	6.0
128.98622	2.9
131.00175	0.8
134.99698	4.0
140.98604	3.1
143.00183	9.3
146.99615	0.7
155.00221	0.8
156.98013	0.5
158.99673	42.5
161.01242	2.8
161.02924	0.6
170.99680	1.8
177.00735	30.1
189.00740	2.6
195.01797	1.4
198.01299	0.6
200.02405	0.7
201.00670	0.5
207.01761	1.5
219.01787	12.5
219.03954	0.9
237.02847	36.9
255.03905	20.4
273.05051	0.7
279.03903	16.2
279.06949	1.0
279.19724	0.4
297.04947	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	278.2481
Annotation	Obscuraminol A
Peak:m/z	Relative Intensity
53.03935	4.6
55.01868	3.7
55.05272	2.5
55.05519	38.3
56.05029	2.1
57.07082	92.5
60.04539	1.8
63.23711	1.6
66.92552	1.6
67.05511	65.1
69.03428	2.8
69.06729	2.8
69.07077	36.7
70.77699	2.5
70.78007	2.1
72.04510	9.0
72.08150	4.6
74.09727	23.6
75.64135	1.4
79.05501	24.6
79.05926	2.8
79.92072	1.4
81.03421	4.0
81.07067	84.8
83.08624	27.1
84.04504	3.2
86.06062	2.8
91.05501	8.8
93.07048	22.7
95.04946	2.8
95.08616	88.3
95.18526	1.6
97.10187	26.5
98.06079	9.9
100.07616	2.4
105.07024	5.0
107.04986	1.8
107.08600	18.3
109.06509	3.6
109.09473	3.1
109.10168	41.9
111.11710	2.4
119.08575	3.9
121.06482	2.5
121.10163	19.0
123.11716	26.3
126.09167	6.7
128.10768	4.1
131.08598	3.4
133.10136	2.0
135.11736	7.4
137.09581	1.7
137.13255	5.7
140.10855	1.6
141.11467	2.7
142.12276	2.1
145.10136	1.8
149.02365	21.0
154.12286	8.3
163.14833	9.4
168.13905	2.5
177.16397	13.1
179.17973	5.5
182.15486	5.2
187.14842	4.3
196.16920	2.2
205.15817	4.4
222.18584	3.4
230.68259	2.0
260.20331	1.7
278.24805	100.0
279.88925	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.248
Annotation	Lepadin B
Peak:m/z	Relative Intensity
53.03948	0.5
55.01868	0.5
55.05510	2.3
55.93412	0.3
56.91101	0.3
57.07080	29.2
57.41571	0.3
58.06580	0.4
64.35874	0.4
65.03929	0.7
66.04736	2.1
67.05510	16.4
68.06293	16.8
69.07073	4.9
71.07378	0.4
72.04507	0.8
72.08160	0.6
74.09702	1.1
79.05502	4.4
81.03411	1.4
81.07066	5.9
82.06590	0.4
83.03671	0.3
83.08620	0.7
84.04488	0.6
91.05481	1.0
93.07040	2.7
94.04183	0.8
95.04977	3.7
95.08618	5.1
96.04493	3.9
96.08144	0.6
98.06046	1.1
100.07638	2.5
102.09185	1.2
105.07030	0.4
107.04932	0.9
107.08625	2.0
109.10162	2.2
110.06042	1.1
111.06831	1.0
112.07635	2.0
117.07026	0.4
118.65638	0.3
119.08612	0.6
121.06500	0.7
121.10162	1.7
123.11736	0.8
124.07594	1.6
125.08412	0.6
126.09180	0.7
131.08548	0.6
135.08101	0.4
135.11650	0.8
145.10143	0.4
149.02364	4.3
152.10712	9.6
163.14799	0.4
166.12311	0.7
167.13072	16.9
168.13887	0.6
205.15814	0.6
222.18564	0.7
235.07465	0.6
278.09326	1.6
278.24808	100.0
279.10037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2481
Annotation	Obscuraminol A
Peak:m/z	Relative Intensity
53.03944	4.4
55.05518	12.9
56.05029	3.4
56.05843	0.9
56.96549	1.5
57.03442	0.8
57.07080	7.5
58.07416	1.3
60.34965	1.0
64.43551	0.8
65.03952	2.3
67.05511	81.9
68.05846	2.4
69.07074	13.9
70.06583	2.0
71.08632	2.5
71.52714	1.5
72.04502	1.6
72.08954	1.0
73.16442	0.9
79.05499	22.2
80.05023	1.4
80.05824	1.8
81.03428	7.8
81.07066	83.3
82.03778	1.8
82.06586	1.6
82.07388	3.9
83.04979	2.4
83.08619	6.5
84.08157	4.9
86.06065	1.9
91.05490	11.6
92.05803	1.7
93.06493	1.2
93.07055	22.7
94.07360	3.6
95.04968	5.1
95.08617	65.9
96.05305	1.4
96.08141	2.7
96.08913	2.5
97.06506	1.0
97.08926	1.0
97.10175	2.0
98.09687	4.0
100.07626	7.2
105.07024	9.3
106.07322	1.7
107.08601	11.7
108.08948	1.2
109.06528	1.2
109.10162	23.9
109.35080	0.9
110.09671	3.0
110.10427	1.3
112.07643	1.6
114.09167	2.3
117.06976	1.3
119.08604	5.0
120.08092	1.4
121.09439	1.2
121.10159	12.1
122.09648	1.8
122.10464	1.2
123.11701	9.5
124.11217	2.1
126.09152	1.8
131.00195	2.2
131.08557	3.4
133.10126	6.6
134.09616	1.5
134.10518	1.2
135.11699	5.8
137.13243	6.5
140.10715	1.9
145.10149	2.8
147.03127	1.9
147.10643	0.8
147.11671	5.3
148.11130	1.8
149.01192	3.7
149.02341	11.0
149.13309	5.4
151.11192	2.5
151.14783	3.1
152.11510	2.0
156.03596	3.6
159.11691	1.9
161.13258	3.9
162.12755	1.1
162.58801	0.9
163.14798	3.8
167.02248	1.4
170.15526	1.0
173.13278	1.1
175.14787	3.9
177.16418	1.4
180.10915	1.7
189.16498	2.4
203.38693	1.0
204.17387	1.1
208.16997	2.6
220.08371	1.0
222.18544	1.2
235.16840	1.7
236.17265	8.6
242.20006	1.2
245.22676	8.6
250.22601	1.2
260.21167	1.8
260.23749	5.8
278.09186	3.4
278.11938	2.0
278.14560	7.8
278.18317	11.9
278.21945	10.9
278.24792	100.0
298.65741	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.248
Annotation	Obscuraminol A
Peak:m/z	Relative Intensity
53.03954	1.9
55.05272	1.5
55.05516	17.2
55.57773	0.7
56.05027	2.9
57.07069	2.5
58.06616	0.8
65.03951	4.0
67.05511	100.0
69.06732	1.1
69.07074	12.6
70.06591	1.9
70.64328	2.1
74.41497	0.8
79.05500	21.7
80.05016	2.2
81.07064	96.9
82.06569	2.9
83.08614	7.0
84.08136	2.7
86.06068	1.3
91.05489	10.7
93.07047	15.3
94.06557	1.5
95.04964	1.0
95.08615	74.5
96.08121	3.5
96.86326	0.8
97.10168	2.7
98.06055	0.7
98.09682	2.7
100.07615	3.3
104.04365	0.9
105.04507	0.9
105.07030	6.9
107.08604	8.0
108.08124	1.8
109.10166	35.6
110.09679	3.1
117.07066	1.0
119.08552	4.0
120.08121	2.4
121.10137	8.8
122.09650	2.4
123.11719	18.6
124.11247	2.2
131.08549	2.8
133.10136	3.6
134.09642	3.2
135.11679	3.7
136.11272	1.2
137.13254	5.8
140.10811	1.0
145.10097	2.3
147.11674	3.3
148.11220	1.3
149.02278	1.2
149.13255	3.7
151.14803	1.3
156.13820	0.8
159.11639	1.9
161.13261	1.4
163.14810	4.1
175.14835	1.9
176.14418	1.1
189.16322	1.1
194.15332	1.1
196.16982	1.1
208.16982	1.8
212.14597	1.0
222.18602	1.4
245.22678	2.2
260.23703	3.6
278.24799	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.05514	13.7
56.05040	3.5
57.07076	2.6
65.03944	2.7
67.05509	100.0
68.02280	0.6
68.05052	0.6
69.07066	12.9
70.06584	1.6
70.96561	1.1
72.04525	1.6
79.05497	21.6
80.05016	0.9
81.07062	92.2
82.06573	2.0
82.91732	0.6
83.07362	0.7
83.08616	5.3
84.08158	4.0
85.43390	0.6
86.06077	2.7
88.07674	0.8
91.05487	9.3
93.06478	1.4
93.07049	21.4
94.06587	1.4
95.04981	1.5
95.08611	70.4
96.08145	3.9
97.08928	0.8
97.10175	2.2
98.09698	2.2
99.44795	0.6
100.07612	6.3
105.07042	5.7
107.08595	10.5
108.08134	1.7
109.10160	38.3
110.09677	2.7
112.07603	1.1
114.09201	1.6
117.07009	1.3
119.08604	3.7
120.08061	1.3
121.10148	9.6
121.10951	1.0
122.09670	2.1
123.11713	16.3
124.11235	1.8
131.08551	2.1
133.10149	3.8
134.09686	1.1
135.11684	6.2
136.11246	0.8
137.13263	6.0
140.10738	1.5
145.10136	2.6
147.11684	2.5
148.11272	1.0
149.02336	2.8
149.13275	5.4
151.06352	1.5
151.14803	1.8
154.12369	0.7
156.13847	0.8
159.11728	1.1
161.13220	2.4
163.14819	5.5
166.08592	0.6
168.13863	0.8
170.15393	0.7
175.14857	1.9
176.14381	1.1
177.16333	1.7
189.16335	0.9
190.15919	0.9
194.15466	0.8
196.16924	1.2
208.16968	1.0
222.18584	1.3
245.22829	3.0
253.06618	0.6
260.23682	3.7
278.24799	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.6
55.01873	2.0
55.05517	22.2
56.05022	1.9
58.06600	1.1
61.06219	0.8
65.03934	1.5
66.04736	0.8
66.13515	1.0
67.05178	1.5
67.05510	18.3
67.49403	0.9
68.02656	1.0
69.03417	3.1
69.07054	3.0
70.06580	1.8
70.91698	1.8
71.04987	0.9
71.07383	6.4
72.08163	43.5
77.03927	1.9
79.05500	58.9
81.03433	5.2
81.07067	21.5
83.08617	1.5
91.04922	1.6
91.05492	40.6
93.07053	93.1
95.04980	8.6
95.08615	16.2
96.04484	2.2
97.06544	1.1
98.06039	2.5
103.05470	1.2
105.04521	2.4
105.07041	28.8
107.04937	4.7
107.08595	10.3
109.06525	1.1
110.06050	1.0
110.57692	0.8
117.07018	5.1
119.08597	32.4
121.06501	3.3
121.10155	35.1
123.08070	1.2
124.07563	1.7
126.09149	0.9
128.06242	1.8
129.07004	3.6
131.08583	9.1
133.06516	4.6
133.10139	10.3
135.08037	2.1
139.09933	10.9
139.99649	0.8
140.10701	1.4
143.08592	4.5
145.10188	5.1
146.99522	1.0
147.08044	5.7
147.11699	8.3
152.10744	1.9
159.11758	0.8
161.09621	0.9
161.13269	41.6
163.14847	8.4
171.11711	4.3
189.12769	7.8
191.13116	1.0
217.19673	1.1
260.20129	100.0
278.21140	3.6
282.09915	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2116
Annotation	Venlafaxine
Peak:m/z	Relative Intensity
50.93378	1.0
51.69258	1.2
53.03940	2.9
55.01875	1.6
55.05506	2.3
55.85336	1.2
59.15612	1.3
64.03268	1.1
67.05506	18.6
68.02647	3.1
69.07074	16.5
70.06622	1.3
74.02464	1.2
77.03930	2.2
79.05501	100.0
81.03416	3.7
81.07064	21.5
83.04974	1.2
85.08921	3.0
86.09222	2.5
86.09711	37.9
91.04913	2.2
91.05486	44.1
93.07051	14.6
95.04984	10.7
95.08636	2.3
97.05286	2.2
97.06541	2.1
98.06066	1.9
98.20726	3.2
104.10744	11.1
105.07036	44.7
107.04958	7.6
107.08601	66.7
109.06502	3.6
112.07567	2.0
119.06091	2.6
119.08581	13.4
120.05724	1.4
124.07576	1.5
129.07002	4.3
131.08574	7.3
133.06502	4.9
133.10138	16.5
138.48979	1.3
142.07802	2.5
145.10129	4.4
147.08015	3.9
147.11705	51.7
149.13252	5.6
153.11516	10.3
157.10085	3.7
166.12263	2.9
175.11201	8.4
192.13828	2.1
204.13889	4.6
260.20117	67.1
260.49112	1.3
278.21216	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	278.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
54.75555	0.9
55.05518	4.3
59.91523	0.9
60.17372	0.9
63.22444	1.0
64.62855	1.1
65.03959	2.0
67.05511	24.0
68.02640	1.1
69.03425	1.3
69.07073	28.7
70.04533	4.0
77.03922	1.8
79.05502	98.6
80.05039	2.3
81.03430	2.6
81.07065	42.1
82.06591	1.0
83.04982	2.6
83.08598	1.1
84.08134	2.4
86.09715	8.8
87.39444	0.9
91.05488	60.8
93.07054	23.8
95.04981	23.7
95.08614	3.7
96.08132	1.4
97.05255	1.8
97.06541	3.9
98.06054	5.6
98.20817	1.6
104.10740	3.5
104.68513	0.9
105.07040	74.8
107.04977	13.6
107.08605	73.6
109.06543	3.3
110.06049	2.5
112.07603	2.5
115.05468	1.7
117.07035	6.1
119.04943	2.9
119.06057	1.1
119.08591	35.3
120.05776	1.4
121.06509	4.3
121.10181	2.4
122.09676	2.2
124.07619	2.4
129.07030	7.6
131.08589	17.1
133.06500	3.2
133.10141	28.1
136.07590	5.6
142.07805	3.1
143.08577	1.5
145.10143	11.9
147.08076	9.5
147.11703	89.1
147.91545	1.0
148.07571	1.4
149.13243	2.8
150.09184	2.4
153.11517	2.3
157.10152	7.3
159.11707	10.1
161.13281	3.0
169.10121	1.5
175.11197	34.8
176.14337	6.1
181.39001	1.0
187.11191	4.4
187.30121	1.0
192.13872	6.3
204.11929	2.2
204.13858	47.2
260.20129	100.0
278.21127	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	278.1754
Annotation	7alpha-Hydroxyphlegmariurine B
Peak:m/z	Relative Intensity
50.37114	1.2
51.02374	1.6
53.03950	5.3
55.01866	4.0
55.05519	8.2
57.07070	5.3
58.06596	1.7
59.63605	1.5
65.03963	3.9
67.05512	22.8
69.07078	2.0
70.06583	4.1
70.39112	2.7
72.08164	38.1
73.02945	1.5
74.09700	3.2
77.03915	1.7
78.66422	1.6
79.05502	84.3
81.03417	5.3
81.07063	1.6
83.04992	8.9
91.05489	49.1
93.03419	2.2
93.07052	6.4
95.04976	28.0
96.01849	1.5
96.08202	1.5
97.02895	3.0
97.06542	2.6
97.38279	1.6
98.06059	5.5
103.05488	7.4
105.03414	3.9
105.04516	3.3
105.07041	37.5
107.04967	35.4
107.08610	2.5
111.04446	1.5
115.05467	22.6
116.06292	2.3
117.07032	96.0
119.04964	2.2
119.08589	16.4
121.02923	2.0
121.06512	9.6
121.10189	1.7
123.04442	6.0
128.06239	75.2
129.07031	13.6
130.07793	10.8
131.08592	6.6
133.06511	4.8
133.10165	7.7
135.04416	4.9
135.08090	1.8
137.06000	2.3
141.06973	5.1
143.08575	100.0
145.06502	15.7
145.10133	29.3
147.04446	3.4
147.08032	2.5
149.02328	14.6
152.10690	4.8
153.07007	3.0
155.06027	6.9
159.08063	5.8
161.06015	2.0
161.09631	12.0
162.09160	2.7
163.07536	3.9
171.08051	22.2
177.09196	1.9
180.10217	19.5
182.11771	3.4
187.07602	2.4
189.09132	57.6
205.08562	4.3
242.15448	13.5
260.16495	78.2
278.09457	1.7
278.17508	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1753
Annotation	7alpha-Hydroxyphlegmariurine B
Peak:m/z	Relative Intensity
51.02392	1.2
53.03955	7.7
53.42993	0.8
55.01876	7.4
55.05513	6.0
57.07074	1.2
58.06599	1.7
65.13326	1.1
67.05513	17.1
68.02659	1.1
69.03435	2.3
69.70335	5.6
70.06596	1.1
71.07378	5.6
72.08160	32.4
77.03932	1.5
79.05502	16.1
81.03422	12.7
81.07049	2.9
83.04981	4.3
84.08122	1.3
88.07614	2.5
91.05488	60.1
93.03409	3.1
93.07051	52.1
93.07565	0.9
95.04974	20.1
95.08604	1.5
96.04475	1.4
97.02882	1.5
98.01347	1.0
103.05470	13.3
105.03445	1.1
105.04519	3.4
105.07043	20.4
107.04298	1.3
107.04971	12.8
109.02896	1.5
110.09587	1.0
111.04420	2.1
111.13675	0.9
115.05445	6.1
116.06260	1.4
117.07036	16.8
119.04941	4.5
119.08614	6.2
121.02883	14.8
121.06515	21.3
124.07626	1.5
128.06233	18.9
129.07007	4.1
131.08568	8.6
133.06509	5.6
133.10124	6.4
139.09927	7.9
141.07048	1.4
143.08565	21.3
145.06494	8.3
145.10130	4.5
147.04436	1.1
147.08063	3.1
149.02367	4.3
153.06972	5.1
155.06042	2.1
159.07930	1.1
161.09637	19.2
171.08070	8.4
174.80592	1.2
186.18565	4.0
187.25903	1.0
188.08203	1.0
189.09138	10.2
204.07866	1.1
207.10176	2.6
219.10063	1.3
230.21129	1.6
232.16972	3.2
235.07623	1.3
242.15388	2.1
250.09169	1.3
260.16483	100.0
278.09213	1.6
278.17615	3.9
278.23328	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	278.1751
Annotation	7alpha-Hydroxyphlegmariurine B
Peak:m/z	Relative Intensity
51.02368	2.2
53.03941	7.9
55.01878	7.9
55.02105	1.4
55.05510	10.6
57.07074	1.1
58.06587	1.7
67.05506	26.3
69.03409	2.6
69.07084	1.2
69.21566	9.9
70.06598	5.3
70.67419	1.1
72.08156	51.1
73.96783	1.1
77.03909	1.2
79.05495	95.5
81.03423	7.6
81.07063	3.0
83.04989	12.6
91.05479	51.7
93.03409	2.7
93.07056	12.8
95.04976	13.4
97.02881	2.7
97.06528	2.2
98.06067	7.5
103.05465	8.6
104.06217	2.2
105.03389	4.1
105.04522	3.4
105.07032	37.0
107.04956	41.9
109.02871	2.5
111.04450	3.4
115.05448	18.7
117.07023	71.1
119.04938	2.0
119.08585	23.3
121.06509	36.8
123.04451	4.0
128.06224	75.8
129.07013	14.9
130.07770	8.8
131.04915	2.1
131.08549	4.8
133.06500	4.4
133.10161	7.0
134.09685	1.6
135.04433	3.0
135.08047	1.4
135.86374	1.1
136.11198	2.0
138.09128	1.4
141.07022	3.3
142.07765	1.6
143.08563	100.0
145.06476	10.4
145.10129	33.2
146.07263	1.4
147.08054	10.3
149.02347	5.1
152.06168	2.4
152.10681	6.1
153.06981	7.6
155.06009	6.6
161.09636	18.0
162.09120	2.7
163.11237	1.5
171.08054	43.0
180.10201	22.7
189.09106	60.4
207.10014	1.5
221.78569	1.2
242.15396	13.1
260.16467	91.4
278.17526	41.0
278.20822	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.139
Annotation	Convolidine
Peak:m/z	Relative Intensity
56.05039	0.5
57.07060	0.6
58.06605	87.2
63.35207	0.4
64.61577	0.4
70.06595	1.7
71.42879	0.9
72.08125	0.5
73.82567	0.4
79.54410	0.4
81.32253	0.5
84.04524	0.6
84.08154	5.0
85.08457	2.1
86.09702	1.3
98.97572	0.6
101.45586	0.4
110.07161	0.5
116.08459	0.4
128.06248	0.5
129.07004	0.9
129.10257	0.6
144.05728	0.9
145.06496	1.5
146.07295	0.5
147.04445	0.6
149.02357	2.3
158.06087	0.6
158.07259	3.7
159.04437	1.9
159.08037	1.0
160.08884	2.3
163.03922	0.7
165.09172	0.5
174.06784	11.3
175.07675	0.7
177.09064	0.7
189.09122	27.5
191.10667	4.9
196.87036	0.6
204.10194	4.7
215.07076	1.0
216.10228	0.6
217.08653	0.5
218.11763	1.4
219.12495	2.5
220.07231	0.5
232.09764	0.6
233.08113	1.1
234.14925	8.9
235.09659	1.2
246.11134	0.6
253.90608	0.5
260.12668	0.6
263.11621	0.6
274.09750	0.5
276.46771	0.6
278.13873	100.0
279.14020	0.5
285.20895	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.139
Annotation	Convolidine
Peak:m/z	Relative Intensity
53.03940	0.5
55.05527	1.4
56.05049	0.6
56.96570	3.1
57.03447	0.9
57.07067	0.7
58.06607	89.6
59.05006	0.5
61.02935	0.9
64.51148	0.5
65.06307	0.5
69.03437	1.5
69.07056	0.5
70.06601	2.2
71.04978	0.5
71.51315	0.6
72.04519	0.9
72.08157	0.7
73.02907	0.7
81.03467	0.5
84.04513	1.3
84.08155	2.0
85.02921	3.1
89.03909	0.7
91.05506	0.6
97.02891	2.0
98.97598	5.4
110.97604	1.3
112.59784	0.5
114.05545	0.8
116.06270	0.8
116.07101	14.5
116.98602	1.9
120.08134	1.7
121.06501	0.5
128.98628	0.7
129.07069	0.6
130.06526	1.6
131.04984	1.2
135.04433	1.2
143.00142	0.9
144.05765	0.8
145.06470	2.1
146.07289	0.8
149.02364	3.2
155.04710	1.5
158.06099	1.1
158.07272	4.1
158.99678	1.0
159.04433	2.4
160.08864	2.2
161.04657	1.5
163.03893	4.5
172.05264	0.6
173.06062	0.6
174.06781	12.0
175.08719	1.5
175.10066	0.8
177.00742	1.4
189.00710	0.9
189.09137	28.6
191.02798	0.8
191.10718	4.3
192.30951	0.6
195.01651	0.6
197.07478	1.3
200.24786	0.5
202.10742	2.2
204.10258	5.1
212.06404	0.7
215.06967	0.9
218.11765	1.5
219.01820	1.1
219.12605	3.5
226.38171	0.5
227.06804	0.9
233.08000	1.6
234.14902	7.7
235.09738	1.4
237.00703	0.8
237.02843	1.2
243.07704	0.6
246.11247	0.9
248.09245	0.8
255.01727	0.8
257.06866	0.7
278.13895	100.0
279.14273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
52.67958	1.0
53.03946	5.6
55.01867	1.5
55.05267	1.8
55.05513	19.1
55.36496	1.1
57.07060	3.0
65.03944	1.5
67.05180	2.0
67.05508	27.9
69.03410	1.6
69.06737	1.2
69.07072	17.2
71.05005	1.6
71.08627	1.1
73.06551	1.7
77.03954	1.3
79.05496	72.9
81.06590	2.2
81.07057	35.9
81.76573	1.1
83.04987	2.3
83.08620	7.2
85.06532	1.8
91.05484	29.5
93.07046	100.0
95.04958	4.1
95.08614	26.2
97.06536	1.4
97.10162	4.0
98.21519	2.8
105.04544	1.4
105.07040	14.1
107.07873	2.5
107.08595	49.5
109.06531	1.6
109.10167	13.1
110.55926	1.0
117.07018	2.9
119.08581	12.1
121.10145	42.3
123.08094	1.5
123.11733	3.2
129.07030	1.4
131.08575	3.7
133.10132	12.5
135.08122	1.4
135.11694	53.8
139.11208	2.3
145.10165	2.7
145.53285	1.4
147.11673	7.5
149.09505	1.8
149.13260	22.8
157.10121	2.2
159.11670	4.3
161.13258	4.8
163.14838	5.6
171.11664	1.4
173.13278	3.0
175.11333	1.2
175.14832	2.7
177.16348	1.3
185.13318	2.6
195.13773	3.0
197.37502	1.1
199.14882	1.8
207.13860	2.1
213.16264	2.6
217.19479	1.2
221.15356	2.2
231.17477	1.7
235.16936	5.1
241.19557	2.1
257.17361	1.1
259.20630	3.8
277.21622	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
52.24421	1.4
53.03951	6.9
54.42601	1.4
55.05267	1.7
55.05514	19.0
57.07061	3.9
63.88571	1.2
65.03923	2.1
67.05510	39.7
68.05853	1.5
69.07076	14.0
70.83801	3.3
71.05013	1.9
77.03925	2.2
79.05499	70.3
81.06597	2.4
81.07062	39.4
83.04993	1.3
83.08630	8.4
83.65025	1.3
91.04913	1.4
91.05492	31.9
93.07050	100.0
95.04952	5.9
95.08617	24.2
97.06527	2.2
97.10162	5.0
105.04507	2.3
105.07040	14.6
107.08601	44.3
109.10180	16.7
117.06980	4.5
118.31897	1.3
119.08598	11.1
121.10149	43.0
123.08088	1.6
123.11726	3.6
129.07014	2.5
131.08563	5.0
132.55261	1.4
133.10130	13.7
135.11703	62.1
137.09634	1.9
143.08597	1.7
145.10112	4.0
147.11699	7.8
149.09639	3.0
149.13272	24.4
159.11647	4.1
161.09550	1.7
161.13269	5.5
163.14777	8.0
167.10728	2.0
171.11708	2.7
175.14803	2.1
177.12683	2.0
189.12836	1.5
195.13797	2.2
199.14864	1.6
207.13802	1.9
213.16283	1.6
221.15450	3.1
235.16911	6.0
241.19473	2.2
259.20596	5.1
277.21603	92.6
278.22110	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	277.2165
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03946	3.4
55.01867	3.7
55.05271	1.1
55.05515	14.4
57.07082	4.2
65.03924	0.9
67.05514	33.2
69.07075	15.7
71.04999	2.1
71.08640	4.2
71.51819	0.8
71.52228	1.1
75.66832	0.9
77.03931	1.1
79.05502	39.9
81.03415	3.5
81.07066	34.1
83.04983	3.8
83.08625	8.0
85.06525	2.0
91.05487	20.3
93.07052	59.3
95.04991	7.9
95.08002	1.1
95.08617	22.5
97.06516	3.5
97.10181	2.7
99.08101	3.5
105.07043	15.0
107.04955	2.1
107.08605	35.1
109.06564	4.4
109.10168	11.7
111.08041	2.1
114.05505	0.9
115.05492	0.8
117.07023	4.0
117.13194	0.9
119.08599	10.1
121.06537	1.5
121.09342	1.5
121.10160	23.7
123.08086	2.6
123.11674	4.2
125.09615	3.7
125.12994	0.9
129.07011	2.0
131.08549	4.0
131.09439	0.9
133.06540	1.1
133.10150	10.9
135.08072	1.8
135.11708	24.2
137.06052	1.0
137.09625	4.1
137.13184	0.9
139.11180	1.6
143.08580	3.3
145.10156	4.1
147.08008	1.5
147.11720	9.7
149.09592	1.6
149.13284	10.9
151.11185	3.5
157.10139	2.0
159.11725	3.1
161.09587	2.0
161.13295	6.7
161.38811	1.0
163.11195	2.6
163.14813	5.1
165.12778	2.2
167.10664	1.0
171.11751	2.5
173.11838	1.2
173.13309	2.8
175.11197	1.7
175.14864	3.9
177.12764	1.8
179.14319	1.7
181.12248	1.4
185.13278	3.3
189.07111	1.4
189.12831	1.3
190.07791	3.8
191.08557	11.5
193.08577	1.0
193.12206	1.1
195.13783	1.7
202.07764	1.8
203.08508	1.2
206.07060	1.1
207.13892	2.7
213.16400	1.5
217.12395	1.0
217.19655	1.2
218.07376	1.6
219.08095	20.7
221.09608	1.3
221.15329	3.3
231.08176	1.3
231.21198	2.1
234.06743	2.3
235.13231	1.5
235.16934	3.6
241.19426	4.4
247.07536	10.9
249.09102	8.7
259.07440	1.4
259.20547	9.6
262.06219	6.6
277.08649	43.1
277.11661	1.9
277.21646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56163	10.6
61.03582	9.5
71.15345	10.7
71.30626	18.8
118.69307	8.6
121.22117	9.7
176.64076	9.6
193.28941	9.0
272.60532	13.2
277.03262	87.0
277.06909	100.0
294.65778	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	277.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09587	7.6
56.96577	11.3
67.06199	8.1
70.96564	17.0
82.03281	8.8
84.08118	8.2
85.02921	13.5
89.70939	7.3
98.97590	40.8
101.00916	18.6
110.97577	19.3
119.01960	16.8
128.98627	16.9
143.01881	17.1
145.03506	9.9
153.14705	8.2
157.03450	10.6
161.02980	24.5
173.02965	12.6
202.08678	8.3
219.01755	17.1
237.02844	22.2
245.05087	9.5
250.67459	7.4
277.03406	19.1
277.07031	100.0
284.57147	9.7
295.06931	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	277.2164
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
52.01121	0.6
53.03935	2.1
55.01867	1.8
55.05515	9.3
57.07072	5.1
59.05007	0.9
65.03916	0.8
67.05507	25.2
69.03439	3.3
69.06739	0.8
69.07074	13.5
71.05000	4.1
71.08629	1.7
77.03882	0.9
79.05495	26.5
81.03416	1.6
81.07062	33.8
83.04974	3.9
83.08620	6.2
85.06553	5.5
87.04478	1.1
91.05483	22.9
93.07049	46.8
95.04971	3.8
95.08612	20.1
97.06555	3.6
97.10168	1.2
99.08102	1.3
100.12697	0.7
105.03399	0.8
105.04477	0.9
105.07032	26.7
107.04951	0.8
107.08602	21.6
109.06516	6.0
109.10162	14.8
111.08061	3.0
113.09641	4.5
117.07020	4.1
118.53498	0.7
119.08585	25.0
121.06506	3.9
121.10145	27.2
122.07255	0.9
123.08071	2.4
123.11714	10.3
125.09643	2.4
127.07618	0.8
128.06264	0.9
129.07025	4.1
131.08566	8.2
133.06506	0.9
133.10135	31.2
135.08069	4.7
135.11696	14.5
137.09628	7.7
137.13254	2.3
139.07523	1.1
139.11171	2.5
143.08549	4.0
145.10153	6.0
147.08052	6.2
147.11697	18.0
147.17300	0.8
149.02332	3.1
149.09656	4.4
149.13261	10.1
151.11185	10.0
151.14859	0.8
153.09094	2.1
157.10114	5.0
159.11713	3.0
161.09634	4.8
161.13249	8.4
161.25537	0.7
161.72911	0.8
163.11176	2.1
163.14828	6.0
165.09045	0.9
165.12762	1.4
167.10728	1.3
170.10907	0.6
171.11697	6.5
173.13290	2.3
175.11238	6.4
175.14825	12.3
177.12735	1.6
177.16385	2.1
179.10686	2.6
179.14279	0.9
181.12233	1.3
185.13245	6.0
189.12769	5.8
189.16367	1.0
191.14386	0.8
193.12256	4.9
193.15886	1.9
195.13831	1.9
199.14796	2.4
201.16368	3.8
203.14372	4.1
207.13823	8.9
215.17987	1.7
216.97581	0.8
217.15961	1.4
217.19514	14.5
219.17328	0.8
221.15363	4.8
231.17459	3.0
231.20998	1.9
235.13319	1.2
235.16951	2.1
241.19540	9.9
248.90295	0.7
259.20590	14.9
277.08609	2.5
277.21631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	25.7
70.03904	42.5
70.98122	22.8
72.46510	9.9
98.97588	100.0
101.00877	26.7
110.97604	15.0
116.98582	25.8
119.01939	29.1
128.98639	13.7
131.01863	11.3
143.01921	25.9
157.03479	11.0
161.02962	40.0
161.26149	8.7
213.74290	10.0
245.05009	22.7
258.99686	13.8
260.97394	8.7
276.97797	17.4
277.00601	21.0
277.03381	43.3
277.07779	63.3
294.98438	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	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30849	11.7
59.35029	11.3
70.74561	12.0
70.74950	27.3
79.84087	10.9
81.01960	12.9
84.08135	21.1
95.46364	12.6
97.84466	11.7
105.75959	10.7
108.59038	11.8
121.38335	12.9
128.94920	11.5
157.09302	14.5
186.53828	11.3
189.54070	10.9
236.29698	13.0
277.03592	90.1
277.06610	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19164	0.4
56.96571	6.3
62.00425	0.4
69.27032	3.7
71.95270	2.5
82.99857	0.6
98.21275	1.7
98.97593	100.0
100.97171	1.2
100.98000	0.4
101.00884	4.1
103.00623	0.6
116.98634	38.1
118.98215	0.6
118.99041	0.5
119.01939	6.0
120.01109	0.5
120.01990	0.9
120.30006	0.4
121.01669	1.0
134.99672	7.6
137.02960	0.7
140.00221	0.9
142.03522	2.2
143.01933	0.9
145.03537	0.5
149.07916	0.5
153.00674	0.9
156.02725	0.5
157.03488	1.9
158.99765	0.4
160.04529	0.4
161.02954	2.9
163.03909	1.3
175.04611	1.0
177.00970	1.6
179.00674	0.7
185.02922	1.1
185.92082	0.4
187.04575	0.4
216.98752	1.1
219.02016	1.1
220.02234	0.7
221.01862	0.6
229.74933	0.4
234.99857	0.7
238.95644	0.7
240.95282	0.9
240.98570	5.0
241.98853	1.1
242.49081	0.7
243.02039	0.5
245.05090	0.6
250.99287	6.9
251.49406	2.6
256.96530	2.3
257.96820	1.5
258.96603	2.9
258.99777	64.7
259.99817	0.6
261.03104	2.9
262.03232	1.5
262.50186	2.0
263.00330	0.9
263.02893	2.5
276.97498	3.5
277.00830	66.2
277.07465	6.0
278.01199	0.5
282.01315	1.1
284.99808	1.6
294.98343	1.6
295.01611	0.6
295.08926	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	276.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16554	0.5
51.59239	0.5
53.03936	1.5
54.94735	0.4
55.01875	1.2
55.05515	3.4
57.07079	42.1
60.34865	0.4
65.03931	1.3
65.51598	0.5
66.04724	3.0
67.05508	26.2
68.06290	20.6
69.03403	1.3
69.74453	2.8
70.06574	0.8
72.04507	1.3
72.08158	1.3
74.09747	2.4
79.05502	6.7
79.05946	0.7
79.06142	0.5
80.85012	0.5
81.03413	1.4
81.06664	0.6
81.07068	7.2
82.06580	0.9
83.08609	0.8
84.04493	0.8
86.06052	1.8
86.84535	0.5
91.05490	4.8
93.07056	8.6
94.04195	0.5
95.04987	5.5
95.08065	0.6
95.08614	7.6
96.04005	0.5
96.04507	5.6
96.08137	1.0
98.06038	1.5
100.07612	2.1
102.09173	0.5
103.05460	0.7
105.07055	3.4
107.04962	1.3
107.08595	4.6
109.10145	2.2
110.06065	3.2
111.06844	1.3
111.11700	0.5
112.07597	1.5
119.04926	0.7
119.08600	4.5
121.06509	2.7
121.10150	4.2
124.07603	2.3
126.09139	0.8
128.10710	1.4
129.06966	0.7
131.08588	1.2
133.06497	1.6
133.10095	2.1
135.08006	0.6
135.11696	4.4
138.09116	0.8
138.12834	0.6
142.12277	2.0
147.08119	0.7
147.11717	0.6
152.10707	12.3
154.12263	0.8
158.10535	0.5
161.09616	0.4
161.13206	1.0
166.12271	3.1
167.13074	16.5
175.14836	1.3
177.16386	0.9
194.15430	3.9
203.14273	0.8
230.41602	0.5
272.95154	0.6
276.23239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.2325
Annotation	Hazaleamide
Peak:m/z	Relative Intensity
52.36261	0.4
53.03940	1.0
54.67335	0.5
55.01874	1.1
55.05518	3.2
57.07080	46.6
58.06576	0.5
65.03932	1.1
66.04724	3.0
67.05511	31.1
68.06292	21.7
69.03416	1.5
71.03512	0.8
72.04510	0.8
72.08150	1.3
74.09707	1.7
79.05061	0.8
79.05502	9.2
80.05013	0.7
80.73490	0.6
81.03407	1.3
81.06644	0.7
81.07060	7.5
82.06587	2.0
82.58109	0.4
83.05000	0.6
83.08620	0.6
84.04513	0.7
86.06067	2.8
86.44011	0.4
88.28207	0.5
91.05495	5.0
93.07054	10.2
94.04150	0.6
95.04978	5.7
95.08614	7.1
96.04496	5.2
96.08129	1.1
98.06051	1.2
100.07616	3.7
102.09194	1.3
105.07042	4.1
107.04951	0.8
107.08604	5.2
109.10181	2.5
110.06049	4.8
111.06828	1.3
112.07581	1.9
117.06924	0.6
119.08593	3.8
121.06499	2.1
121.10170	4.3
124.07596	1.4
125.08337	0.7
126.09105	0.7
128.10728	1.1
129.07060	0.6
131.08611	1.0
133.06476	1.7
133.10114	2.2
135.08090	0.7
135.11700	5.0
137.95364	0.4
138.09172	1.0
138.12726	0.6
142.12270	3.0
147.08081	1.4
147.11664	0.8
152.10725	12.2
154.12282	0.9
161.13274	1.6
166.11015	0.7
166.12306	5.0
167.13072	20.3
168.13823	0.6
175.14848	1.4
177.16441	1.5
194.15451	3.3
203.14487	0.8
220.17035	0.8
242.21924	0.4
276.23245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.2325
Annotation	Hazaleamide
Peak:m/z	Relative Intensity
53.03933	5.0
53.53169	1.6
55.01863	5.0
55.05275	1.7
55.05516	22.5
57.07079	100.0
65.03935	3.4
67.05510	57.1
69.03421	4.7
69.07067	10.0
70.77023	5.1
72.04520	16.2
72.08136	5.8
73.78653	1.6
74.09727	18.6
77.03939	1.8
79.05498	56.6
81.03411	4.8
81.07063	57.8
83.08608	5.8
84.04504	5.1
86.06060	3.6
91.05486	42.6
93.07050	83.5
95.04963	3.8
95.08615	40.6
96.04501	2.8
98.06075	8.2
105.07040	27.1
107.04965	10.8
107.08601	39.5
109.10158	11.6
110.06017	2.5
117.06991	3.6
119.08581	20.6
121.06480	3.5
121.10152	40.6
122.87792	1.5
123.11763	2.0
126.09135	2.1
128.10724	21.8
131.08582	2.5
133.06497	7.7
133.10150	15.3
135.11717	37.0
142.12280	4.0
143.08578	1.8
145.10144	1.9
147.08046	6.1
147.11620	3.1
152.10719	2.6
154.12299	9.5
156.85307	1.8
159.11676	4.0
161.09608	4.9
161.13251	21.7
166.12328	3.4
175.14850	14.1
176.06743	1.8
177.16440	19.7
179.10631	1.6
180.13853	5.6
182.15450	2.2
185.13368	3.6
194.15425	4.3
203.14346	15.4
235.16936	7.6
276.23251	57.5
277.18069	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	276.1964
Annotation	MGK 264
Peak:m/z	Relative Intensity
54.35540	0.4
55.05516	2.9
57.07066	0.5
67.05513	3.1
68.05032	2.3
69.07086	2.7
70.06210	0.5
70.06602	9.1
70.82473	0.6
70.82806	0.6
72.02406	0.3
73.45100	0.4
73.76155	0.4
79.05076	0.5
79.05502	6.7
80.05810	0.4
81.07067	2.9
83.08614	0.9
91.05491	8.4
92.05796	1.1
93.07053	7.5
94.07413	0.4
95.04987	0.5
95.08624	2.7
96.08138	1.1
97.06532	1.3
99.51501	0.4
100.07629	20.4
103.05453	0.5
105.07038	16.6
106.06612	0.8
106.07356	1.9
107.08602	7.8
108.08126	0.7
108.08831	0.4
109.10165	1.1
114.05531	4.8
116.07084	0.5
117.07024	1.8
119.04861	0.4
119.08592	12.1
120.08125	0.9
120.08868	0.8
121.10167	3.3
128.07095	18.1
131.08569	1.0
132.09323	0.4
133.10146	22.0
134.09578	0.5
134.10471	1.6
135.11705	1.5
140.07040	0.6
143.08643	0.6
145.10120	0.7
146.09625	1.0
147.10477	0.4
147.11618	0.8
148.11180	0.5
152.07031	1.2
154.08632	1.5
160.11232	1.1
161.13271	17.7
162.12775	0.7
163.14845	4.3
164.07109	2.4
165.07889	1.0
171.11992	0.5
172.11220	1.1
173.12027	0.6
174.12775	1.2
176.14398	0.4
177.07909	0.4
178.08670	0.9
188.14366	2.5
192.10216	5.5
193.10966	0.4
202.15910	2.7
204.10107	0.7
206.11726	1.9
218.09746	0.5
218.11801	7.1
219.12637	1.1
230.19035	1.4
232.13400	2.2
233.14183	1.8
234.14949	0.9
240.18143	0.4
246.14934	1.1
247.15622	1.2
258.19373	0.7
259.09656	1.0
276.19626	100.0
277.19675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
53.03951	3.3
55.01875	1.0
55.05517	4.0
57.07090	3.5
65.03943	2.7
67.05514	23.7
69.07072	3.7
69.58378	3.7
73.47394	0.9
77.03922	1.3
79.05504	100.0
80.46241	0.8
81.03432	2.5
81.07069	26.5
83.04993	2.5
84.08151	12.2
85.06551	13.2
86.06116	0.7
91.05493	54.0
93.07062	18.2
95.04976	16.1
95.08641	1.8
97.06556	2.7
98.06049	5.5
98.21584	1.2
102.09196	17.1
105.07047	58.3
107.04978	9.6
107.08609	72.1
109.06535	1.6
110.09653	0.9
114.09181	1.5
115.05491	1.0
117.07045	3.1
119.04983	1.7
119.06162	1.6
119.08598	24.0
120.05753	0.9
121.06540	0.9
128.06258	0.9
128.07126	1.9
129.07013	6.6
131.08577	18.0
131.09523	1.0
133.06512	3.5
133.10152	28.3
135.00542	0.7
136.07674	1.0
142.07826	3.1
145.10161	2.5
147.08069	5.7
147.11707	56.4
149.13280	5.1
150.09195	0.8
157.10133	5.1
175.11224	15.3
192.13864	4.4
204.13878	4.4
258.18527	0.8
276.19644	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	276.1598
Annotation	Huperzine P
Peak:m/z	Relative Intensity
50.36226	0.6
51.02372	0.8
53.03955	4.9
55.01881	7.2
55.05519	8.1
56.05043	1.7
58.06587	0.9
65.03942	5.1
67.05514	6.9
68.02657	0.8
69.07058	1.0
70.06599	4.6
71.07381	8.2
71.52752	0.9
72.08164	40.2
77.03947	1.1
79.05503	9.0
81.03425	6.6
81.07060	4.7
82.06583	2.1
83.04996	2.0
84.08150	0.6
91.05492	100.0
93.03413	9.8
93.07056	18.6
94.06575	2.8
95.04984	9.7
95.08615	2.2
96.04497	2.2
96.08129	0.7
98.06086	4.5
103.05472	1.7
105.03399	0.9
105.04520	2.4
105.07047	8.0
106.06576	3.5
107.04969	15.2
107.08620	1.1
108.04494	0.8
108.08126	1.3
109.06539	3.5
110.06047	2.6
110.09685	1.0
115.05456	6.0
116.06251	3.3
117.07031	16.9
119.04111	1.4
119.04957	24.2
119.08620	4.8
120.05788	0.8
120.08130	5.2
121.02857	0.8
121.06544	1.5
121.08901	5.7
121.10169	0.8
122.09708	1.1
123.04446	0.7
124.07620	1.5
128.06223	4.3
129.07018	9.2
131.04951	3.8
131.08583	69.6
132.08121	0.9
133.06519	3.9
133.10146	5.2
134.09676	3.7
135.08058	0.7
135.66377	0.7
136.07565	0.8
136.11203	0.9
137.05995	13.7
138.09160	1.5
139.09941	11.5
140.07106	1.0
141.07004	16.6
143.08595	3.6
144.05728	9.1
144.08092	1.2
145.06496	6.3
145.10095	0.9
146.09700	0.8
147.08080	1.4
150.09122	1.1
152.10745	1.7
153.09666	0.6
155.06064	1.1
155.08507	0.6
158.09695	1.3
159.08075	47.7
161.09633	5.6
162.09149	5.2
163.07658	0.7
163.09933	0.7
164.10735	2.2
169.06503	7.6
169.07674	1.7
170.09679	1.0
172.11230	2.0
177.09073	3.2
185.13411	0.9
186.09093	3.5
187.07567	31.1
190.12248	0.9
198.12825	0.7
204.10233	1.1
205.08620	1.9
212.14323	1.6
214.15848	0.7
216.10294	0.9
230.15401	7.9
232.17012	1.4
240.13837	3.8
258.14926	58.7
276.15979	76.1
286.00583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2735
Annotation	Kaurane
Peak:m/z	Relative Intensity
53.03934	1.9
55.05518	12.5
57.07073	8.8
67.05191	1.2
67.05515	24.4
69.07076	25.8
69.44196	1.1
71.08627	3.6
71.52096	1.1
79.05496	8.7
81.07067	100.0
83.08625	11.5
85.10187	1.8
91.05476	4.2
93.07043	13.0
95.04985	1.0
95.08617	77.0
97.10181	8.4
105.07029	4.4
107.08616	17.4
109.10172	48.6
110.43243	1.0
111.11734	8.4
119.08637	2.4
121.10157	11.2
123.11722	21.8
125.13252	1.7
131.08546	2.1
133.10121	1.2
135.07961	1.0
135.11708	9.6
137.13268	9.7
145.10136	1.5
147.11708	1.5
149.13264	9.7
151.14853	5.0
159.11728	1.1
161.13225	1.2
163.14845	5.4
165.16414	2.1
173.13271	2.3
177.16374	2.5
190.94254	1.1
191.18011	2.0
193.19429	1.2
219.21037	1.2
257.19122	1.6
275.04807	2.1
275.20374	6.5
275.27411	47.5
293.34839	1.0
299.22537	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2009
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.71189	0.5
53.03950	1.2
55.01877	3.6
55.05273	0.8
55.05518	11.8
57.03440	1.3
57.07082	0.9
57.43281	0.5
64.12714	0.6
65.03931	1.2
67.05180	1.0
67.05515	14.8
69.03432	0.9
69.07077	8.6
71.04991	1.7
71.16905	0.7
71.17245	1.1
74.89091	0.5
79.05503	18.8
80.11991	0.6
80.72337	0.6
81.03441	0.7
81.06591	1.2
81.07066	21.9
83.04991	2.2
83.08633	5.7
85.06554	1.4
91.05491	28.7
93.07052	17.8
95.04990	2.7
95.08617	10.5
97.06548	3.2
97.10171	1.6
103.05460	1.0
104.65128	0.5
105.07044	40.7
107.04969	2.7
107.07877	0.8
107.08608	14.3
109.06493	4.1
109.10183	4.9
111.08062	1.3
115.05408	0.6
117.06255	0.7
117.07048	9.1
119.08600	27.8
121.06517	3.0
121.10155	7.2
123.08077	2.2
123.11723	2.1
125.09622	1.4
129.07013	2.0
131.08594	11.2
133.10143	31.3
135.08052	3.6
135.11690	2.1
137.09659	3.0
140.78531	0.5
143.08568	1.9
145.10139	12.5
147.11700	17.2
149.09631	6.1
149.13206	1.7
151.11232	3.7
155.08612	1.8
157.10092	2.7
159.11681	7.0
161.09705	0.8
161.13316	4.6
161.14551	0.9
163.11195	4.7
163.14900	0.6
165.12758	1.6
169.10161	2.2
171.11699	2.2
173.13293	4.2
175.11182	1.2
175.14766	0.6
177.12747	2.0
179.14403	1.0
183.11719	2.3
185.13264	0.8
187.11249	1.0
187.14900	1.3
189.12790	0.9
191.14262	0.8
191.62366	0.5
193.12289	0.7
197.13287	2.7
214.88864	0.5
215.14349	1.0
215.18022	1.2
219.13963	0.9
229.19557	4.7
239.18013	6.7
247.20647	3.2
257.19055	9.5
275.20096	100.0
276.20334	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2009
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	1.4
55.01865	1.7
55.05265	0.9
55.05517	10.2
57.07070	1.0
59.04992	0.8
60.95967	0.6
65.03949	1.0
65.84258	0.5
67.05513	12.0
69.07076	8.0
69.51306	1.3
69.51733	2.1
70.06590	2.1
71.04992	1.2
77.03929	0.8
79.05080	0.8
79.05507	13.5
81.07070	13.5
83.05019	1.0
83.08623	3.3
85.06538	0.7
88.07619	2.0
89.07936	0.6
91.05492	27.4
93.07048	11.8
95.04974	2.3
95.08619	9.3
95.29284	0.5
97.06541	1.7
97.10175	2.0
103.05456	1.2
104.58865	0.5
105.07043	43.6
107.04956	1.9
107.08609	11.2
109.06508	1.4
109.10178	3.3
111.08087	0.9
117.07018	7.0
119.08596	24.3
121.06480	1.6
121.10161	4.8
123.08102	1.5
123.11682	0.7
125.09645	1.0
129.07021	1.8
131.08578	10.8
133.10146	28.3
135.08080	2.1
135.11699	3.5
137.09627	1.0
141.06993	0.8
143.08595	2.3
145.10146	13.5
147.08093	1.3
147.11705	18.3
149.09619	4.6
151.11211	0.9
157.10150	1.8
159.11722	6.9
161.09637	1.3
161.13324	2.8
163.11171	2.7
169.10152	0.8
171.11665	2.6
173.13295	2.5
175.11140	0.9
175.14893	0.7
177.12770	1.3
181.12268	0.6
183.11732	2.0
185.13336	0.9
187.11205	1.6
187.14896	0.8
197.13272	1.2
199.14790	0.6
201.12743	0.8
205.12343	0.6
211.14731	0.6
213.16299	0.9
215.14305	0.5
229.15865	0.7
229.19498	1.4
239.17996	4.4
247.20595	1.2
257.16370	0.5
257.19034	10.5
257.26678	1.6
275.20090	100.0
275.27774	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	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.01865	2.1
55.05517	10.1
55.85216	1.3
56.96562	3.0
57.03449	6.4
57.36816	1.2
59.41431	1.1
62.50030	1.2
67.05505	14.4
69.07078	8.9
70.06582	1.1
71.04987	2.4
71.54028	2.0
72.08145	1.2
79.05500	12.7
81.07069	15.4
82.57810	1.2
82.84553	1.1
83.04979	2.4
83.08607	6.0
85.06547	1.4
91.05492	34.8
93.07039	14.0
95.04990	2.0
95.08611	12.2
97.06558	1.2
99.08118	1.3
105.07038	41.3
107.04949	1.8
107.08601	8.3
109.06497	1.8
109.10152	3.9
115.05482	1.8
117.07035	11.3
119.04964	1.4
119.08595	34.7
121.06508	2.4
121.10121	6.0
123.04473	1.2
123.08031	2.3
123.11715	1.2
128.06239	1.5
129.06989	2.9
131.08580	11.0
133.06502	2.5
133.10139	25.3
135.08075	2.6
135.11711	2.9
137.05998	14.1
143.08571	3.6
145.10127	12.2
147.11702	20.1
148.29575	1.3
149.09595	1.5
149.13257	1.5
151.04016	1.5
151.07532	12.1
157.10162	3.2
159.11705	14.5
161.09657	1.6
161.13290	10.3
163.11165	2.1
169.10213	1.9
173.13275	5.9
175.11258	1.2
175.14868	3.0
183.11711	1.7
185.13272	7.1
187.11203	2.0
197.13307	2.8
200.07619	1.2
201.16389	2.0
203.14317	5.0
205.12267	1.4
219.13850	1.4
219.17476	2.7
229.19498	1.5
239.18024	4.1
257.18982	9.9
275.05066	6.3
275.07996	3.6
275.12717	4.6
275.20084	100.0
284.18216	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.201
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03943	1.7
55.01876	2.0
55.05521	8.6
57.03432	1.0
57.07058	1.1
60.29881	0.4
63.60643	0.5
65.03928	0.8
67.05513	12.6
69.03416	0.8
69.06735	0.5
69.07081	8.4
69.49709	2.8
71.04990	1.4
73.06559	0.5
79.05505	13.9
81.03402	0.7
81.07066	12.9
83.05003	2.1
83.08642	4.1
85.06525	0.7
89.91824	0.4
91.05493	30.6
93.07056	13.0
95.04968	1.6
95.08619	9.9
97.06527	1.9
97.10165	1.5
103.05475	1.1
105.07046	43.6
107.04974	2.4
107.08612	10.7
109.06557	2.5
109.10180	3.7
111.08132	1.1
113.06047	0.7
115.05483	0.7
117.07034	7.9
118.07879	0.5
119.08598	26.6
121.06548	2.5
121.10159	5.4
123.08065	1.7
123.11738	0.9
125.09650	0.9
129.07051	1.2
131.08588	10.6
133.06580	0.5
133.10149	26.7
135.08087	1.8
135.11717	2.5
137.09637	1.5
139.11162	0.5
141.06989	0.6
143.08603	2.1
145.06517	0.6
145.10133	12.0
146.10896	0.9
147.08031	0.9
147.11703	19.0
148.12180	0.4
149.09637	4.7
149.13292	0.8
150.48468	0.4
151.11156	0.7
155.08588	1.1
157.10159	2.0
159.11711	6.3
161.09593	1.2
161.13286	5.4
163.11226	2.5
163.14923	0.6
165.09151	0.7
169.10129	1.4
171.11691	2.6
173.13307	4.0
175.11232	0.8
175.14830	0.6
177.12793	0.8
179.14290	0.5
183.11726	1.7
185.13318	1.2
187.11238	1.2
187.14822	0.8
189.12808	0.7
191.14430	0.6
197.13362	2.4
201.12767	1.0
205.12343	0.4
209.50064	0.5
215.14404	0.7
215.18100	0.8
217.15952	0.9
219.13727	0.9
229.15950	0.7
229.19562	1.7
233.15366	1.1
239.17950	2.7
247.20569	1.6
257.19064	7.8
275.20096	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2009
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03951	1.0
53.34089	0.3
55.01863	1.6
55.05516	12.3
57.03425	1.0
57.07070	1.5
58.07415	0.5
59.04980	0.5
59.69733	0.4
65.03944	0.7
67.05511	14.5
69.07072	8.0
69.75916	2.3
70.06576	1.3
71.04982	1.8
79.05501	12.3
81.03399	0.6
81.06597	0.8
81.07064	14.7
83.04974	1.4
83.08628	3.8
85.06515	0.9
88.07610	1.3
91.05488	35.0
93.07053	14.2
95.04974	2.0
95.08618	9.6
96.49857	0.4
97.06523	1.8
97.10166	2.2
103.05466	1.0
105.07039	50.2
106.08663	1.1
107.04961	2.0
107.08592	10.3
109.06557	2.0
109.10174	4.5
111.08078	1.1
115.05430	0.6
117.07021	7.2
118.07819	0.5
119.08590	28.3
121.06561	2.0
121.10159	4.9
123.08057	1.2
123.11720	1.5
125.09625	0.5
129.07018	2.2
130.07787	0.5
131.08586	13.1
132.09373	0.7
133.06480	0.7
133.10143	33.0
135.08043	1.8
135.11688	2.4
137.09598	1.2
137.68961	0.4
139.11194	0.6
141.06987	1.1
142.07906	0.5
143.08586	2.4
145.09056	0.8
145.10144	12.4
147.08043	0.8
147.11699	19.2
149.09656	5.0
149.13266	0.9
151.11127	1.0
153.12791	0.5
155.08534	1.2
157.10121	2.4
159.11699	7.4
161.09634	1.0
161.13232	4.4
163.11177	1.9
169.10098	1.3
171.11710	2.7
173.13271	3.8
175.11153	1.2
175.14862	0.9
177.12785	1.0
181.12292	0.5
183.11696	2.2
185.13185	0.9
187.11253	0.8
187.14728	0.6
189.12833	0.5
193.12270	0.7
197.13237	2.4
199.14822	0.6
201.12791	1.0
205.12352	0.5
211.14764	1.0
213.16490	0.5
215.14391	0.9
219.13811	0.8
229.15892	1.0
229.19542	1.6
233.15378	0.5
239.17955	3.6
247.20595	1.6
252.04742	0.5
257.19031	8.5
257.26764	1.1
275.20084	100.0
275.27777	17.5
276.12332	0.5
276.20352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.05857	1.0
53.03933	2.9
55.01868	2.8
55.05314	1.0
55.05518	10.1
57.03424	3.2
57.07081	1.3
57.66381	0.9
65.96737	0.8
67.05180	1.2
67.05511	17.8
69.03421	1.7
69.07074	8.7
69.51430	3.3
69.51840	2.5
71.04992	3.5
71.54659	0.7
78.15858	0.9
78.73396	1.0
79.05495	20.1
81.07062	25.5
83.04972	3.7
83.08617	4.7
85.06540	3.3
91.05490	34.1
93.07053	17.5
95.04958	2.7
95.08616	12.5
97.06525	3.3
97.10170	1.9
103.05460	1.4
105.07043	40.5
107.04942	4.1
107.08592	14.0
109.06529	8.1
109.10149	7.2
111.08075	4.4
115.05480	1.2
117.07024	9.8
119.08590	31.1
121.06495	3.0
121.10152	11.0
123.08093	4.6
123.11713	3.1
129.07016	2.5
131.08578	16.2
132.09351	1.0
133.06508	1.4
133.10143	32.8
135.08084	9.9
135.11714	6.1
137.09630	5.0
141.06975	1.2
142.07773	1.6
143.08568	4.0
144.09427	0.9
145.10147	15.1
147.07916	1.2
147.11707	17.2
149.09639	6.2
149.13243	3.1
151.11186	1.4
155.08575	2.4
157.10132	7.4
158.10934	1.9
159.08087	1.1
159.11705	14.4
161.09621	1.8
161.13293	4.8
163.11205	3.0
165.12755	1.1
168.09521	1.2
169.10156	3.4
171.11702	4.9
173.13295	16.1
174.13994	1.2
175.11241	3.0
175.14859	2.1
176.23204	0.9
177.12787	3.5
183.11736	2.8
185.13257	2.7
187.11128	1.5
187.14775	2.8
189.12708	1.3
191.14301	2.5
197.00369	0.9
197.13272	3.3
199.14806	4.9
201.12718	3.1
203.14342	1.5
204.08951	1.2
213.16402	1.8
215.14247	1.3
215.17918	1.3
219.13858	1.4
232.08559	2.9
233.19353	1.2
239.17934	7.2
247.07533	2.2
247.17221	1.0
247.20618	3.8
257.18997	13.3
260.08243	1.4
275.07040	6.2
275.10504	6.3
275.20081	100.0
275.27747	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.26157	1.9
50.31555	1.5
55.05492	5.6
57.07083	9.2
67.05496	7.4
69.03413	1.7
69.07061	5.8
70.06607	8.9
70.69160	2.9
71.05002	12.2
71.06907	1.8
77.60065	1.5
79.05498	7.7
81.07072	11.4
82.36870	1.6
83.04975	6.3
83.08607	3.0
85.06552	10.3
88.07637	8.4
89.07950	2.4
91.05475	12.1
93.06495	1.8
93.07053	22.0
95.04971	4.3
95.08610	22.6
97.06538	2.9
102.09176	3.1
105.07043	21.3
106.08668	6.0
107.08594	19.0
109.06525	12.5
109.10172	8.0
111.08087	17.6
115.05461	2.3
117.07021	9.0
119.08585	29.4
121.10174	23.5
123.08051	3.7
123.11719	6.3
129.07021	4.3
130.07788	2.1
130.45035	1.6
131.08578	28.4
133.10147	25.7
135.08067	26.6
135.11679	3.5
137.09610	14.9
141.07022	2.1
142.07756	5.7
143.08589	14.9
144.09338	4.5
145.10143	24.1
147.08080	2.1
147.11726	8.2
149.09612	5.4
155.08618	2.4
156.09373	4.8
157.10138	24.6
158.10928	10.4
159.11714	36.9
161.09630	2.8
163.11218	3.4
169.10129	6.0
170.10947	2.3
171.11699	12.6
172.12596	2.0
173.09668	3.2
173.13277	58.3
174.14099	4.8
175.11246	8.8
175.14844	6.2
177.12755	7.8
183.11713	14.1
184.12418	3.4
185.13284	3.2
187.11243	4.8
187.14839	10.7
189.12733	2.4
191.14317	9.9
197.13316	5.7
199.14833	20.8
199.77692	1.7
201.12796	10.1
213.16330	10.3
214.17093	1.7
215.14398	2.6
215.17932	5.7
217.15829	4.0
224.15730	1.6
239.18007	9.8
257.19055	28.2
257.26663	6.1
275.20065	29.3
275.27774	100.0
276.30615	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2009
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03931	2.2
55.01871	2.4
55.05518	9.7
55.96524	0.9
57.03436	1.2
57.07062	1.8
65.03934	0.9
65.55679	0.8
66.40248	0.8
67.05183	1.2
67.05512	14.1
69.07080	9.3
69.38149	6.1
71.05008	1.7
72.89149	0.9
75.87704	0.9
79.05502	14.2
81.07062	16.3
83.04975	2.3
83.08645	5.9
84.07118	1.0
85.06541	1.8
88.07645	1.2
91.05493	31.9
93.07065	14.6
95.04967	2.2
95.08616	12.4
97.06510	2.3
97.10165	3.3
103.05462	2.1
105.07045	52.4
106.65492	1.1
107.04942	3.1
107.08601	14.4
109.10151	5.4
115.05463	1.8
117.07032	8.5
119.08595	24.6
121.06512	2.2
121.10171	5.5
122.17654	1.0
123.11764	1.3
125.09610	2.0
129.07042	3.0
131.08578	13.8
133.10144	36.0
135.08081	3.0
135.11690	3.9
138.92952	0.9
141.06921	2.0
143.08549	2.7
145.10135	14.2
147.08023	1.3
147.11713	19.4
149.09615	5.0
149.13303	2.0
155.08543	1.4
157.10133	2.1
159.08026	1.1
159.11722	5.7
161.09636	1.6
161.13275	4.1
163.11179	3.0
169.10153	1.5
171.11700	3.1
173.09673	1.5
173.13292	4.4
175.11249	1.1
177.12764	2.3
183.11711	1.8
185.13316	1.1
187.11234	1.1
187.14743	1.0
197.13304	2.3
201.16400	1.1
229.15872	1.1
229.19482	2.6
233.15338	1.5
239.18062	2.9
247.20628	1.4
257.19067	10.8
275.04834	2.5
275.07401	2.0
275.10590	3.7
275.20087	100.0
275.27594	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03936	2.3
55.01880	5.0
55.05272	1.4
55.05515	16.1
55.46507	0.8
57.03423	1.5
57.07058	1.0
65.03934	1.2
67.05508	21.3
69.03437	0.9
69.07075	8.4
71.04979	2.6
72.93977	0.6
77.88190	0.7
79.05499	29.6
81.03411	1.2
81.07059	20.9
83.04988	2.3
83.08619	4.9
85.06556	1.1
91.05483	30.3
93.07049	18.7
95.04964	1.9
95.08607	11.6
97.06548	4.9
97.10165	3.4
98.20712	1.5
103.05477	1.1
105.07039	44.9
107.04304	1.2
107.04970	17.5
107.08595	17.6
109.06519	1.5
109.10159	11.4
111.08096	1.8
115.05443	1.2
117.07029	9.8
119.08591	27.2
121.06534	1.9
121.10156	8.3
123.08057	2.0
123.11696	3.0
125.09591	3.6
129.06993	1.8
131.08583	12.5
133.10138	26.9
135.08057	5.1
135.11687	2.8
143.08575	2.7
145.06477	1.0
145.10133	12.2
147.11705	16.1
149.09625	33.0
149.13182	0.8
153.09151	1.9
155.08606	1.3
155.10631	0.8
157.10185	2.4
159.11697	7.6
161.13263	6.2
163.11240	2.1
165.09120	0.9
167.96225	0.8
169.10068	1.7
169.12245	1.6
171.11700	2.3
171.59085	0.8
173.11748	2.6
173.13277	4.5
175.11230	1.5
175.14731	0.9
183.11591	1.3
185.13301	1.2
187.11250	1.2
187.13309	1.5
187.14825	1.2
197.13225	2.4
201.12709	1.2
201.16460	0.8
205.12347	0.7
215.17986	1.6
219.17555	0.7
229.19545	5.5
233.15265	1.1
239.17905	3.5
247.20531	2.7
257.11914	0.8
257.19028	14.1
268.58279	0.8
275.04843	1.2
275.20084	100.0
275.27805	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.79215	2.7
53.48225	2.6
55.01868	7.7
55.05499	13.0
57.07061	9.4
65.03941	3.2
67.05513	18.7
69.07072	17.2
69.27938	7.0
69.28344	19.3
71.05009	26.4
79.05501	19.5
80.61967	2.9
81.07065	25.9
83.04977	11.8
83.08609	11.9
85.06571	17.2
91.05482	24.1
93.07059	42.0
95.04961	6.7
95.08604	34.7
97.06519	7.0
97.10216	4.1
105.06425	3.0
105.07047	41.9
107.08588	45.9
109.06531	26.6
109.10162	18.1
111.08094	24.7
117.07011	13.2
119.08598	54.3
121.10154	44.1
123.08040	7.7
123.11700	9.9
128.06219	6.3
129.07005	8.2
131.08569	37.7
133.10143	43.3
135.08075	39.3
135.11694	12.2
137.09608	13.6
139.11128	3.3
142.07776	9.8
143.08569	24.1
144.09367	5.7
145.10127	42.5
147.11726	16.5
149.09615	9.7
149.13232	15.4
151.11194	4.0
155.08562	6.0
156.09381	7.6
157.10152	35.8
158.10950	16.1
159.08092	4.1
159.11700	58.6
161.09616	4.2
161.13249	4.2
163.11148	8.3
168.09380	5.9
169.10100	9.9
171.11783	17.3
173.11781	5.4
173.13277	100.0
174.14087	12.5
175.11182	12.3
175.14784	9.8
177.12750	17.7
182.10880	5.7
183.11655	21.6
184.12514	6.1
185.13274	3.9
187.11197	7.7
187.14841	16.2
189.12811	3.8
191.14299	17.4
192.15009	3.2
197.13264	11.4
199.14803	32.4
201.12807	20.7
208.22897	3.3
213.16426	15.0
214.17143	3.3
215.18034	7.5
217.15970	5.6
219.13730	3.6
221.43597	4.5
224.15439	5.0
239.17804	14.3
257.19058	35.5
275.04871	6.6
275.20084	55.8
275.27783	29.4
276.23059	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	275.2007
Annotation	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
53.03932	1.2
54.72361	0.9
55.01884	1.1
55.05520	4.7
55.21572	0.9
57.03421	1.0
57.07079	1.7
63.49588	0.8
67.05499	4.6
69.03422	1.1
69.07069	13.8
71.04985	3.6
71.52074	1.3
78.29472	1.0
79.05489	3.8
80.26221	1.0
81.07066	8.1
83.04978	1.8
83.08632	3.2
85.06534	3.6
91.05484	5.4
93.07050	11.0
95.04990	2.2
95.08617	10.4
97.06512	1.7
97.10178	1.2
105.07029	8.8
107.08598	12.2
109.06519	2.7
109.10166	8.7
111.04475	1.0
111.07381	1.7
111.08096	22.0
111.11705	2.0
113.09645	4.1
117.07059	2.2
119.08606	9.8
121.06513	1.5
121.10146	8.6
122.07297	3.2
123.08068	13.3
123.11696	3.4
129.07036	1.3
131.08598	9.2
133.10184	5.0
135.08070	23.9
135.11685	6.4
135.12550	1.0
137.09607	1.8
139.11198	2.8
143.08594	1.6
144.09328	1.4
145.10150	7.1
147.08081	1.1
147.11685	8.2
148.08804	1.1
149.09618	4.1
149.13248	3.4
156.09401	2.9
157.10173	5.1
159.11722	10.3
161.09636	2.8
161.13237	1.8
163.11169	2.1
163.14877	1.8
165.12747	3.0
171.11710	18.2
173.09584	1.0
173.13275	6.2
175.14833	1.7
176.12047	5.8
177.12724	2.5
181.12244	16.8
183.11737	2.1
187.11179	1.1
189.12738	4.9
189.16434	1.5
191.14322	100.0
199.14853	8.8
208.73734	0.9
213.16385	2.3
215.14389	1.2
215.18016	5.2
217.15907	7.5
219.21060	1.1
231.17433	2.0
233.19160	1.2
239.18005	2.3
257.19043	11.5
272.37222	0.8
275.07159	2.1
275.20093	55.9
275.27502	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	274.9754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04831	0.2
56.96573	6.3
69.25160	2.2
71.95272	2.1
87.78917	0.3
88.15016	0.3
98.97594	100.0
116.98634	31.9
130.93282	0.7
134.99664	5.2
140.00218	0.6
152.71118	0.3
161.03009	0.4
172.94366	5.3
190.95471	2.0
208.96300	0.6
214.95387	2.9
221.95236	0.3
230.98572	0.4
232.96445	4.9
250.97569	1.6
256.96472	17.4
274.97531	69.6
292.98581	29.1
297.99075	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07627	0.7
65.03935	1.3
67.05496	1.9
70.02617	3.2
75.79208	0.7
82.99844	4.5
83.04978	1.1
83.26900	0.8
83.70175	0.7
93.03415	1.1
95.04958	2.8
96.70040	0.8
98.97603	3.9
101.00887	30.8
107.03447	0.7
109.01424	1.4
111.04422	1.7
113.00835	1.0
113.28250	0.8
116.98611	1.3
118.14622	0.7
119.01929	33.7
119.36938	0.7
121.02868	4.8
125.04547	0.8
127.01489	0.9
127.02430	15.2
137.02907	3.4
139.02425	2.9
139.03902	1.8
141.03986	0.9
142.04768	0.8
143.01950	4.0
143.05521	1.5
145.03471	24.5
151.02409	2.0
153.03983	2.6
157.03497	8.0
159.05038	1.2
161.03029	4.1
163.04567	0.8
167.01904	4.2
169.03474	52.9
171.01485	0.9
171.05049	7.7
173.02911	0.8
175.04573	1.2
179.02003	1.8
183.04974	1.0
185.02971	20.2
185.06596	2.1
187.04538	48.2
189.02486	1.5
189.06056	1.0
195.05035	3.3
197.02962	10.5
203.02168	0.9
203.04073	2.8
205.05652	4.2
211.04512	4.9
213.02490	1.5
213.06041	2.0
215.03990	11.2
221.02921	3.0
221.04970	1.5
229.05586	39.1
231.03557	2.5
239.04065	2.4
247.06651	15.5
249.04552	0.9
257.05048	3.5
275.06131	100.0
293.07132	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	274.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01875	2.4
55.05507	5.9
57.07081	100.0
65.03942	4.2
65.90271	2.0
66.04724	10.4
67.05510	70.9
68.05955	3.0
68.06290	38.5
69.07056	6.1
71.07377	3.2
71.46970	4.6
72.08131	4.9
74.09705	5.7
79.05497	55.7
81.03422	6.1
81.07059	21.4
81.46329	2.4
82.06565	3.3
84.04498	2.5
86.95226	2.0
91.05491	34.8
93.07059	17.1
94.04166	5.4
95.04975	16.5
95.08614	17.0
96.04493	7.8
96.58269	2.1
97.23178	2.1
98.06038	2.4
100.07603	6.5
104.85671	2.0
105.07045	30.3
105.80933	2.0
107.04925	8.2
107.08590	29.8
109.10132	6.3
110.06052	15.2
112.07623	3.2
117.07022	9.1
119.08577	22.4
121.06448	2.4
124.07561	3.7
129.06999	2.4
131.08580	16.5
133.10139	48.9
135.08051	3.6
143.08569	3.9
145.10144	4.1
147.08038	2.9
147.11685	4.7
152.10718	29.6
154.12283	2.6
155.08495	2.4
157.10126	3.5
159.11690	9.3
165.11499	7.7
166.12305	31.5
167.13069	59.9
173.13275	11.0
175.14830	17.8
180.13858	7.1
185.13272	2.9
190.85893	2.0
201.12759	7.6
214.99088	2.2
228.95972	2.0
274.21649	72.9
274.27231	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	274.2168
Annotation	gamma-Sanshool
Peak:m/z	Relative Intensity
53.03953	1.0
55.01874	1.2
55.05508	7.6
56.62887	0.9
57.07081	26.7
64.78660	0.8
67.05511	9.5
69.03442	2.1
69.07050	1.5
69.16496	4.7
69.16922	5.2
70.06592	1.2
70.71367	0.9
72.04528	1.4
72.08157	3.0
74.09730	11.4
79.05503	19.0
81.03408	1.4
81.07063	17.3
84.04510	2.3
86.06047	1.9
91.05489	39.4
93.07054	20.0
95.04964	2.8
95.08626	9.4
98.06070	5.4
103.05477	1.4
105.07040	42.3
107.04952	5.8
107.08613	10.3
109.10164	1.8
110.57029	0.9
115.05427	1.5
117.07030	19.1
119.04969	1.1
119.08592	33.4
121.06481	1.4
121.10134	1.3
128.10736	1.9
129.07030	3.0
131.04889	1.4
131.08580	21.7
132.70892	0.9
133.06467	2.8
133.10146	69.8
135.11697	5.1
141.06987	3.1
142.12279	3.7
143.08577	2.8
144.05745	2.0
144.09250	1.5
145.06487	10.0
145.10144	7.0
147.11711	4.2
152.10681	1.9
154.12280	5.8
155.06046	1.1
155.08562	4.1
157.10104	3.1
159.08063	9.5
159.11713	20.6
161.13242	1.8
171.11664	1.5
173.09631	3.1
173.13255	21.3
173.14700	1.5
175.14848	30.9
180.13802	3.2
183.11665	6.5
185.13284	1.0
193.55238	1.0
194.15456	2.4
201.12772	44.6
203.14313	1.0
274.21683	100.0
274.27344	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	274.2167
Annotation	gamma-Sanshool
Peak:m/z	Relative Intensity
55.01870	1.6
55.05502	4.1
56.32750	1.2
57.07081	100.0
58.12339	1.2
61.92313	1.3
65.03923	1.6
65.69151	1.1
66.04715	4.8
67.05513	42.7
68.06294	33.0
69.03417	3.5
69.07073	5.5
72.04515	2.1
72.08159	3.1
74.09718	5.9
79.05501	38.5
81.07063	13.4
82.06574	4.8
82.07381	1.2
83.08633	1.6
86.06063	2.7
91.05492	41.3
93.07063	8.8
95.04984	6.8
95.08614	14.0
96.04495	7.9
96.08126	1.3
100.07622	7.5
102.09181	1.4
105.07040	27.8
107.08608	20.7
109.06531	1.4
109.10138	4.5
110.06050	14.2
110.10445	1.5
112.07565	1.7
117.07027	9.9
119.08604	14.6
121.10168	2.2
123.11700	1.6
124.07590	2.8
128.10704	6.3
129.07018	1.5
131.08601	10.7
133.06464	1.4
133.10146	46.6
138.12724	2.5
142.12291	5.6
145.06465	2.6
145.10152	3.6
147.11700	4.4
149.13248	1.9
152.10724	23.7
157.10217	2.1
159.08038	2.2
159.11714	6.6
166.12305	17.5
167.13086	33.1
173.13284	8.0
175.14839	14.2
180.13889	1.7
183.11618	2.2
194.15421	1.3
201.12773	5.2
274.21674	40.4
274.25937	7.0
280.95633	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.3
57.07081	36.0
60.04522	1.0
65.03931	0.8
67.05188	1.0
67.05510	14.5
69.07067	1.2
71.90647	0.7
72.04493	1.3
72.08154	1.2
74.09724	4.7
79.05498	13.5
81.07059	16.9
82.72750	0.7
83.37094	0.7
84.04494	0.9
84.53731	0.6
91.05489	38.5
93.07051	12.2
95.04971	1.6
95.08604	12.2
96.04499	0.8
98.06076	0.7
100.07607	0.9
105.07036	19.9
107.04973	3.3
107.08610	5.2
109.10152	6.5
110.06056	0.8
110.50220	0.7
115.05440	1.2
116.10739	1.3
117.07022	29.8
119.08590	22.5
121.10130	1.7
128.10707	2.6
129.07024	2.2
131.08574	16.8
133.09119	1.4
133.10136	21.7
133.87773	0.6
142.12300	1.0
145.06525	1.9
145.10129	3.1
147.11711	4.7
154.86920	0.7
155.08572	0.9
159.08040	1.9
159.11684	11.0
173.13254	11.7
175.14832	24.7
180.13875	4.0
183.11650	1.5
192.13889	2.2
194.15456	1.1
201.12761	6.8
208.16830	0.7
216.81398	0.7
218.15427	2.8
274.21664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.05497	1.8
57.07080	30.5
57.73135	0.5
58.06601	0.8
58.67778	0.7
63.39704	0.6
65.81791	0.6
67.05180	0.8
67.05511	12.5
69.03388	0.6
69.07059	1.9
70.06594	4.7
71.08629	1.4
71.53511	1.0
72.04519	0.7
72.08143	1.5
73.48563	0.6
74.09706	2.4
79.05501	7.8
80.45139	0.6
81.07056	7.1
83.08652	0.7
85.10182	0.8
88.07630	5.8
91.05485	25.1
93.07035	5.2
95.04954	1.3
95.08611	4.7
97.10181	1.2
99.79234	0.6
100.07665	0.7
102.09183	2.0
105.03378	1.3
105.07036	10.3
106.08656	2.9
107.08582	2.7
109.10170	7.6
114.46252	0.6
115.05466	0.8
117.07023	24.5
119.08584	14.0
121.10115	2.2
128.10732	1.5
129.07013	1.0
131.08574	16.2
133.10141	11.5
145.10127	1.4
147.11673	2.0
159.11702	1.5
173.13260	7.8
175.14825	15.3
180.37213	0.6
201.12709	0.7
218.15405	2.8
232.16859	0.9
256.26306	2.6
274.21664	100.0
274.27396	41.1
275.22150	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2167
Annotation	gamma-Sanshool
Peak:m/z	Relative Intensity
55.05502	2.1
57.07081	32.7
67.05183	0.9
67.05512	11.8
67.71645	0.7
68.57402	0.6
69.07064	1.7
69.34958	0.7
70.06603	0.7
70.67981	1.8
72.04513	0.9
72.08128	0.8
74.09727	4.5
79.05502	7.7
81.07066	10.4
83.08622	0.7
88.07599	0.8
91.05487	30.4
93.07046	6.9
95.08613	7.0
96.00850	0.6
97.10167	0.7
105.07041	13.5
107.08638	3.5
109.10152	7.3
114.09177	1.0
115.05478	0.9
117.07025	38.0
119.04945	0.6
119.07802	1.2
119.08595	15.9
121.10130	0.9
128.10739	1.6
129.07011	1.0
131.08580	19.7
133.10141	14.6
134.80089	0.7
143.08559	0.8
145.10117	2.4
147.11688	4.5
159.11673	1.6
173.13264	13.2
175.14839	25.2
201.12746	1.8
206.15556	0.9
218.15375	2.3
232.17036	0.9
245.94229	0.8
249.89264	0.7
256.20551	1.0
274.21674	100.0
274.27280	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	273.2579
Annotation	Trixagoene
Peak:m/z	Relative Intensity
51.54914	1.0
53.03940	1.4
55.05519	15.2
55.49374	1.0
57.07076	6.0
67.05514	20.2
69.07076	33.6
69.33414	4.5
69.33836	3.7
71.08632	1.7
79.05510	9.1
81.07067	66.7
83.08627	14.6
85.41203	1.1
90.14875	1.1
91.05496	12.9
93.06483	2.0
93.07057	33.5
95.08617	71.0
95.64471	1.0
97.10201	8.5
105.07042	22.4
107.07876	1.8
107.08611	48.3
109.10172	49.6
111.11719	3.6
119.08598	24.5
121.10160	45.3
123.11728	38.9
125.13289	1.5
133.10147	13.8
135.11716	30.6
137.13278	11.7
147.11714	14.6
147.70331	1.0
149.13277	44.6
151.14827	6.8
152.66342	1.2
159.11813	1.2
160.12399	1.1
161.13283	25.4
163.14845	26.1
165.16411	3.7
168.66588	1.0
169.37518	0.9
175.14867	11.4
177.16411	14.1
189.16389	21.5
191.17984	9.0
203.17981	14.5
217.19534	27.5
231.21155	2.5
244.67616	1.2
245.12952	1.3
273.25809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	15.8
57.07079	18.6
60.08144	3.2
67.05495	5.9
69.07072	100.0
71.04997	22.2
71.52811	1.9
73.44454	2.0
79.05494	3.3
81.07047	9.1
81.57065	2.0
82.41332	2.0
83.08620	36.0
89.06021	4.9
91.05482	3.1
93.07042	7.2
95.08604	9.0
97.06550	11.1
97.10126	3.2
100.94596	2.5
103.87206	2.1
105.06982	5.9
107.08575	8.8
109.10166	5.2
125.13268	20.8
128.06197	2.2
131.08589	2.9
135.11661	5.4
153.12767	21.0
171.13800	7.9
185.15425	3.7
186.05447	3.7
200.80679	2.3
259.19095	5.1
269.80341	2.4
273.07391	2.5
273.12357	3.3
273.14810	4.8
273.18433	7.3
273.22470	4.2
273.25980	2.5
291.41895	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	273.2579
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03939	1.6
55.05515	14.6
57.07085	8.8
65.03945	1.2
67.05517	20.5
69.07071	37.0
70.10428	3.4
71.08627	1.9
79.05500	12.4
81.07065	68.9
83.08627	15.6
88.63869	1.2
91.05489	11.4
93.07055	36.0
95.08616	69.4
97.10158	10.1
105.07042	23.8
107.08602	54.7
109.10165	55.9
111.11726	4.1
119.08596	25.9
121.10152	42.8
123.10825	2.2
123.11714	40.1
125.13280	1.8
131.99565	1.2
133.10141	18.3
135.11705	31.2
137.13271	11.8
145.10155	2.2
147.11697	16.2
149.13274	49.2
151.14830	5.8
154.59483	1.2
161.13258	26.5
163.14836	26.1
165.16444	2.4
175.14845	13.6
177.16376	15.7
186.05574	2.7
189.16415	18.0
191.17982	10.4
203.17975	19.7
204.67932	1.6
217.19522	29.3
231.21097	3.2
245.12804	2.3
273.12509	1.7
273.25793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1852
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
52.61189	1.6
53.03943	2.2
55.01865	3.3
55.05510	7.1
55.05734	1.4
57.07067	2.9
67.01865	2.3
67.05511	9.5
67.75182	1.4
69.03444	1.7
69.07067	10.2
70.45715	3.3
70.46046	2.5
71.05006	1.6
79.05500	10.3
81.07065	24.8
83.04954	2.4
83.08610	2.6
85.06548	3.3
91.05496	18.4
93.07052	15.6
95.04962	5.4
95.08617	13.0
97.06514	7.4
105.07040	26.0
107.04977	3.8
107.08612	11.3
109.06539	17.5
109.10164	11.6
115.05503	2.3
117.07010	5.4
119.04946	15.3
119.08595	20.3
121.06550	8.4
121.10159	15.5
123.02634	1.4
123.04422	3.8
123.08098	2.9
123.11704	5.8
128.06229	3.7
129.07016	6.5
130.07797	1.6
131.08607	11.0
132.50914	1.5
133.06496	15.7
133.10161	12.6
135.08073	6.8
135.11676	5.2
141.06961	3.3
142.07799	7.8
143.08545	16.6
144.09340	3.9
145.06487	1.7
145.10132	16.5
147.04440	30.4
147.08051	4.8
147.11693	9.3
149.09660	7.3
149.13272	1.7
151.07561	50.4
153.01848	70.5
153.06984	2.4
155.08572	10.4
156.09386	12.4
157.10135	19.7
158.07236	1.7
158.10985	2.0
159.04399	2.4
159.08093	5.5
159.11723	7.1
160.08829	2.6
161.09628	5.6
165.07043	3.0
165.09164	2.2
166.07808	1.9
167.08621	4.5
167.10722	1.7
168.09276	2.1
169.10170	14.9
170.10892	3.7
171.08073	1.7
171.11713	22.1
172.12485	2.4
173.06023	4.9
173.09630	19.6
173.13264	6.1
174.10463	2.0
175.03917	8.9
175.07516	2.3
175.11238	7.9
180.09366	1.8
181.10147	7.3
182.10916	8.0
183.11708	10.5
183.30733	1.6
184.08826	2.0
184.12495	1.9
185.09625	8.5
185.13295	5.4
187.11229	4.7
187.14853	3.6
189.09163	2.3
189.12790	12.8
191.10706	2.4
193.10060	2.4
195.11754	8.1
196.12489	3.1
197.09604	1.6
197.13281	31.5
198.14081	3.7
199.11183	23.3
199.14687	2.0
203.10677	2.2
207.11606	2.1
209.13321	3.4
211.14865	12.5
212.15593	9.3
213.12766	6.6
213.16393	21.1
215.14348	5.6
217.12302	9.3
222.14038	2.8
225.12752	4.1
226.13504	2.7
227.14404	10.0
229.08566	2.4
229.15961	7.6
230.16714	2.2
231.17467	3.4
237.16386	6.7
240.15141	5.1
241.08740	2.6
255.17464	57.7
273.07648	56.8
273.11105	4.7
273.18521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	CHEBI:69178
Peak:m/z	Relative Intensity
51.39401	0.9
53.03948	1.7
55.01881	4.6
55.05267	1.8
55.05515	18.9
57.07075	1.7
60.37970	0.9
67.05505	9.1
69.03438	1.9
69.07074	79.2
70.26221	3.7
79.05492	6.0
81.07060	32.2
82.11338	0.9
83.08621	6.8
88.82088	0.9
91.05483	10.9
92.63287	0.9
93.07047	11.2
95.04952	3.0
95.08627	12.8
97.10177	4.3
99.77442	1.1
103.05505	1.2
105.07043	12.4
107.04957	4.5
107.08594	9.5
109.06519	2.4
109.09470	1.5
109.10172	18.0
111.11723	23.8
115.05415	1.6
117.07024	6.8
119.08611	4.5
121.06516	14.7
121.10126	3.4
123.08055	2.8
123.11724	16.6
128.06229	3.9
129.07013	6.8
131.04893	1.2
131.08582	4.2
132.05739	1.4
133.06500	10.9
135.08049	2.3
135.11707	12.4
141.06989	1.5
142.07814	4.9
143.08574	5.4
144.05733	4.8
145.06491	8.3
145.10187	1.6
147.08049	7.7
149.05965	1.3
151.07555	100.0
153.07022	1.0
155.08522	2.4
156.09331	2.3
157.06503	6.7
157.10146	3.6
158.07288	5.6
159.08066	13.0
161.09625	3.8
163.07552	4.5
165.09123	10.5
169.06494	2.7
169.10138	1.6
170.07310	4.4
171.08072	11.0
171.11707	2.3
172.08931	1.3
173.09627	7.9
173.13228	1.0
175.03925	1.5
175.07578	23.9
175.11259	1.7
177.09155	5.7
179.10713	2.1
181.10181	1.4
183.08012	2.4
184.08826	8.8
185.09621	21.8
186.10376	1.0
187.11270	5.5
189.09120	27.3
189.12723	1.4
191.10704	7.0
197.09671	7.0
198.10422	2.0
199.11189	25.7
202.09973	1.7
203.10681	18.2
204.05243	1.0
205.12210	1.4
211.11215	2.4
212.12018	4.5
213.12729	9.8
217.12282	24.7
225.12772	1.5
227.14308	2.0
240.15144	4.0
255.17451	85.5
273.15485	2.3
273.18530	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	273.185
Annotation	Przewalskin
Peak:m/z	Relative Intensity
54.37637	0.7
54.95475	0.7
55.05500	2.3
55.21092	0.7
64.24741	0.7
67.05492	1.6
69.03416	2.8
69.07072	34.3
69.59756	4.5
81.07055	1.3
83.08628	1.1
84.35232	0.7
91.05477	2.0
95.08611	1.6
98.21519	1.4
105.07015	2.1
107.08575	1.0
111.08082	1.2
115.05457	4.8
117.07012	3.7
118.49194	0.8
119.08562	2.4
121.06529	1.0
121.78439	0.8
123.11689	0.7
125.47416	0.7
127.15675	0.8
128.06221	3.2
129.07010	10.1
131.04895	2.2
131.08583	3.9
132.05737	0.8
133.10094	1.6
137.05984	5.5
141.06985	10.1
142.07797	6.9
143.04907	0.9
143.08556	6.0
144.05702	7.4
145.06471	6.0
145.10127	2.2
146.07234	1.5
147.08078	6.1
149.05927	2.0
151.07533	3.6
153.07050	1.6
155.08536	5.9
156.09361	1.9
157.06509	8.7
157.10133	11.7
158.07245	2.7
159.08067	7.8
159.11696	1.3
160.05219	8.9
160.08841	1.3
161.06036	2.0
161.09601	1.4
163.07533	2.4
165.07004	1.3
165.09189	0.8
167.04958	1.6
167.08542	2.1
168.09402	1.8
169.06480	5.2
169.10066	1.7
170.07230	3.3
171.08049	8.1
171.11655	3.5
172.05176	4.4
172.08817	1.0
173.06000	1.9
173.09627	4.3
174.06804	4.9
174.10382	1.5
175.07561	46.6
177.09119	1.6
181.06483	3.3
181.10068	1.4
183.08052	3.9
183.11703	9.9
184.08916	1.5
185.06053	4.8
185.09628	14.6
187.07553	77.1
187.11134	2.6
188.08316	3.4
189.09108	10.2
189.12744	3.0
190.09875	1.7
193.10204	1.3
195.08109	1.5
195.11726	2.5
196.08792	1.2
197.05948	2.3
197.09645	3.3
199.07578	3.9
199.11201	11.0
201.09097	2.9
202.06163	1.5
202.09874	5.8
203.10681	15.0
204.11403	2.6
205.08566	0.8
205.12244	7.8
208.08882	1.2
211.07550	2.2
211.11180	17.3
211.14658	0.7
212.08337	1.9
212.11961	1.8
213.09140	4.2
213.12718	3.0
213.16365	1.8
215.10808	4.2
216.11432	2.8
217.06560	1.4
217.08748	19.8
217.12230	56.3
223.11205	4.2
225.09106	1.9
227.10803	1.0
228.11478	17.6
229.12291	2.0
230.13017	7.9
231.13824	7.7
240.11462	4.4
241.12297	2.6
241.15926	5.8
243.13823	52.7
245.15411	1.4
255.13824	39.0
273.14984	11.8
273.18491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	alpha-Estradiol
Peak:m/z	Relative Intensity
55.01863	0.5
55.05510	1.4
57.07077	0.9
67.68261	0.5
68.14853	0.4
69.03425	0.9
69.07072	16.2
71.52373	0.8
73.67663	0.4
81.07053	0.6
83.08605	0.6
91.05476	1.2
93.07102	0.4
95.08599	0.6
97.10177	0.6
105.07042	1.1
107.04923	0.4
107.08602	0.8
111.04475	0.5
111.23882	0.4
115.05441	1.3
117.07018	1.3
119.08573	1.9
121.06511	1.5
123.11738	0.5
128.06210	2.4
129.07019	5.7
131.04929	1.4
131.08578	0.9
137.06012	0.8
141.06958	1.3
142.07762	5.9
143.04924	0.7
143.08571	4.2
144.05692	1.0
145.06508	3.1
145.10132	0.5
146.07263	0.6
147.08054	5.0
148.72380	0.4
149.05994	1.0
151.07518	1.7
152.06245	0.6
155.08591	1.4
156.05711	0.5
156.09341	1.4
157.06509	6.8
157.10130	10.9
158.07269	1.2
159.08051	2.8
159.11703	1.0
160.05244	1.7
160.08824	0.6
161.05962	1.4
161.09586	1.2
163.07565	1.1
165.07039	0.8
166.07761	0.6
167.08604	0.6
169.06474	2.3
169.10144	0.7
170.07265	2.8
171.08066	8.2
171.11702	3.6
172.08821	0.8
173.05952	0.9
173.09590	3.1
174.06738	5.1
174.10432	1.4
175.07565	11.5
176.08308	0.6
177.09119	1.6
181.10010	0.7
183.08073	3.4
184.08836	1.7
185.09636	15.4
185.11298	0.9
186.10454	1.0
187.07529	7.8
187.11185	1.3
188.08351	2.2
189.09129	7.4
189.12776	2.6
190.09904	1.3
191.10689	1.0
197.09628	1.9
198.10408	1.5
199.07495	0.5
199.11191	12.5
201.09029	2.1
202.09860	4.8
203.10666	9.8
204.11406	2.0
205.12253	3.8
211.11205	1.8
212.11989	0.6
213.09145	0.8
213.12659	1.1
213.16434	1.5
215.08670	0.8
215.10646	5.2
216.11432	2.8
217.08691	2.2
217.12245	51.9
223.11191	1.0
225.09044	0.5
226.13501	0.9
228.11473	0.6
229.12317	1.6
230.13022	8.2
231.13795	7.6
241.15878	5.0
243.13826	2.8
244.14673	1.2
245.15398	0.5
255.13846	2.2
258.16165	0.7
273.09103	2.1
273.18500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1853
Annotation	alpha-Estradiol
Peak:m/z	Relative Intensity
55.01873	1.1
55.05503	1.8
57.07078	1.8
67.05491	1.3
69.07078	17.7
71.52838	1.5
79.05507	1.3
81.07066	2.8
83.08619	1.8
91.05494	3.0
93.07045	3.7
95.08612	1.3
102.73101	1.0
105.07026	1.5
107.04925	1.8
110.89230	1.1
111.08080	1.2
115.05431	1.7
117.06980	1.4
119.08583	2.9
121.06573	5.0
123.11734	1.1
128.06194	2.9
129.06998	7.1
131.04959	1.2
131.08592	2.9
135.08163	1.0
137.05974	1.2
141.07043	1.5
142.07787	5.0
143.08566	4.9
144.05751	1.2
145.06519	2.5
145.10123	2.1
147.08078	3.1
149.05997	38.3
155.08528	1.1
156.09395	1.6
157.06532	6.0
157.10133	7.3
159.08037	4.8
160.05264	1.1
161.09679	1.8
163.07635	5.8
167.08539	1.1
169.06520	3.8
169.10175	1.3
170.07277	2.2
171.08101	7.3
171.11717	3.7
173.06017	2.3
173.09650	2.3
174.06754	5.4
175.07565	12.8
177.09163	3.3
181.10246	1.4
183.08070	4.1
183.11661	1.7
184.08795	1.4
185.06053	1.4
185.09653	13.9
187.07530	10.7
188.08353	2.3
189.09073	8.0
189.12811	2.0
190.09909	1.4
191.10713	4.4
197.09645	1.8
199.11174	10.6
201.09042	1.6
202.09906	3.3
203.10727	6.3
204.11429	1.5
205.12244	5.1
211.11227	3.5
213.12669	2.0
213.16476	2.1
215.08562	2.6
215.10747	3.2
216.11511	2.2
217.08659	3.1
217.12263	45.2
228.11328	1.6
228.63524	1.0
229.12381	1.9
230.13023	7.0
231.13783	8.6
241.15892	6.6
243.13849	4.9
255.13771	6.1
273.09509	4.6
273.15381	3.5
273.18527	100.0
274.19080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1851
Annotation	Przewalskin
Peak:m/z	Relative Intensity
51.02830	0.7
55.05506	1.9
57.07080	0.8
61.66571	0.7
69.03438	4.9
69.07078	26.5
69.87532	2.3
73.14918	0.7
73.20572	0.7
79.05486	0.8
81.07047	1.5
83.08627	2.1
85.84803	0.6
91.05482	2.1
93.07016	0.7
97.06524	1.0
105.07059	1.5
107.08587	1.1
111.08066	2.4
115.05470	1.9
116.06246	0.8
116.63110	0.7
117.07026	2.3
119.08582	2.4
121.06511	1.3
128.06219	2.9
129.07039	7.0
131.04912	2.2
131.08566	2.7
137.05998	4.1
141.07021	5.3
142.07825	6.1
143.04948	1.3
143.08574	4.5
144.05679	3.3
145.06522	4.3
145.10117	2.4
146.07324	0.8
147.08095	3.6
148.05235	1.0
149.05930	0.8
151.07538	2.1
152.06454	0.9
153.07057	1.8
155.08580	3.1
156.09386	1.6
157.06497	8.0
157.10172	9.5
158.07291	1.3
159.08093	5.4
159.11694	1.5
160.05185	2.6
161.06009	1.6
161.09515	0.9
163.07558	1.9
165.07005	1.2
167.08603	0.9
168.09285	0.9
169.06502	2.8
169.10118	1.7
170.07240	3.3
171.08054	8.8
171.11728	3.4
172.05234	2.0
172.08778	1.6
173.06078	1.6
173.09647	5.8
174.06778	5.6
174.10309	1.0
175.07568	17.7
176.08377	1.4
177.09108	2.2
179.08626	0.7
180.09282	1.7
181.06534	2.2
181.10143	1.3
183.08078	3.6
183.11711	4.8
184.08842	2.1
185.06012	2.3
185.09627	16.0
187.07564	37.4
187.11119	1.1
188.08307	4.2
189.09140	11.2
189.12810	2.3
190.09924	2.3
191.10684	1.3
193.10136	1.0
195.08069	1.1
195.11650	2.6
197.05998	1.4
197.09622	2.6
198.10367	1.4
199.07547	2.3
199.11223	11.3
201.09105	3.0
202.09854	5.3
203.10692	16.9
204.11516	1.9
205.12247	11.1
208.08856	0.8
211.07590	1.0
211.11159	6.9
212.08527	1.0
212.12007	1.4
213.09264	1.6
213.12801	1.6
213.16322	2.5
214.32217	0.6
215.10664	4.4
216.11421	3.3
217.08932	8.7
217.12251	58.5
223.11220	3.5
228.11479	6.0
229.12256	2.3
230.13058	7.4
231.13797	7.2
240.11469	1.7
241.12308	2.3
241.15880	6.0
243.13840	20.8
245.15375	1.2
255.13826	20.5
258.16309	0.9
273.09991	2.1
273.14911	20.3
273.18484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.8
56.53519	0.7
57.07074	0.9
59.51439	0.8
67.05504	1.5
67.22025	0.7
69.03414	2.3
69.07072	37.6
69.39809	3.8
69.40232	2.5
77.03962	0.8
78.51151	0.9
79.05494	1.5
81.07047	3.2
83.08606	1.2
91.05469	2.5
93.07027	2.0
95.08600	3.2
97.06536	1.2
97.10192	1.0
105.07023	2.8
107.08596	1.9
109.10155	1.7
111.08080	1.5
115.05448	5.4
117.07040	3.2
119.08575	3.1
119.89695	0.9
121.06474	1.5
121.10115	1.7
123.11679	1.1
128.06213	3.1
129.07021	9.9
131.04927	2.5
131.08594	4.1
132.05609	0.9
133.10112	1.1
137.05988	5.0
141.07002	13.0
142.07770	6.5
143.04922	2.0
143.08549	4.6
144.05724	12.1
145.06499	5.4
145.10118	1.9
146.07320	1.2
147.08058	3.5
149.05977	1.5
151.07541	2.6
153.06969	2.2
155.08557	8.4
156.09364	1.9
157.06506	9.6
157.10130	8.5
158.07277	1.6
159.08066	10.4
159.11668	1.4
160.05220	13.8
160.08797	1.0
161.05905	0.9
161.09599	1.2
163.07513	1.3
165.07037	1.8
167.04892	1.3
167.08522	1.4
168.09349	1.8
169.06488	3.7
169.10101	1.5
170.07294	3.6
171.08069	8.7
171.11687	3.7
172.05223	6.2
173.05991	1.7
173.09622	3.6
174.06825	5.8
175.07562	59.5
177.09108	2.0
180.09378	1.5
181.06505	3.6
181.10048	1.3
182.07304	1.3
183.08113	4.4
183.11700	10.3
184.08806	1.8
185.06059	5.4
185.09619	13.3
187.07558	100.0
187.11116	2.7
188.08238	2.9
189.09122	8.9
189.12779	1.9
190.09819	1.8
191.10645	1.3
193.10149	2.6
195.08032	2.0
195.11768	4.0
196.08849	1.6
197.05956	3.4
197.09644	2.5
198.06688	1.6
199.07593	4.2
199.11191	9.0
201.09091	4.6
202.06180	1.2
202.09883	4.8
203.10675	12.5
204.11459	1.5
205.12236	7.5
211.07576	3.1
211.11201	18.2
212.08334	3.0
212.11935	1.5
213.09183	4.4
213.12723	2.7
213.16333	1.4
215.10767	4.9
216.11398	2.8
217.08723	18.5
217.12238	45.1
223.11194	4.4
225.09125	2.0
226.09912	1.1
226.13466	0.9
228.11455	17.9
229.12259	3.5
230.13071	6.3
231.13841	5.1
240.11484	4.8
241.12207	3.3
241.15912	4.0
243.13831	55.8
244.14262	1.3
245.15395	1.3
252.13580	1.2
255.13820	46.0
273.10046	2.6
273.14926	13.5
273.18475	68.1
273.25891	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	273.1124
Annotation	Eulophiol
Peak:m/z	Relative Intensity
53.03943	1.5
55.01871	1.7
55.05508	2.2
56.38370	0.8
57.07075	1.5
65.03944	1.0
67.05497	3.3
69.03424	2.1
70.66818	1.2
70.67155	2.0
71.04974	1.0
71.55441	0.8
72.08163	3.2
79.05496	1.7
81.07040	2.1
83.84489	0.8
85.02909	1.8
91.04978	1.5
91.05499	16.0
93.07038	3.3
94.62248	0.7
95.04974	3.2
95.08592	1.0
102.32189	0.8
103.05471	9.7
105.03413	1.1
105.07042	2.9
107.04951	5.7
107.08542	1.0
109.06570	1.4
111.04438	1.5
112.07610	9.7
113.07938	4.8
115.05503	1.2
117.03394	0.9
117.07033	1.9
119.04953	4.1
121.06513	31.3
123.04440	6.7
125.06018	1.6
127.42787	1.0
128.06235	1.1
129.07018	1.3
131.04930	9.8
131.08592	1.0
133.02872	1.3
133.06503	1.1
134.03632	2.9
135.04422	4.6
135.08031	1.4
137.05988	8.6
142.07765	1.8
145.10129	1.5
148.05174	2.0
149.06001	25.9
150.06790	4.1
151.03877	1.6
151.07542	3.7
152.06218	4.7
153.01888	1.4
153.07018	12.0
155.08563	1.8
157.06598	1.1
157.10114	1.2
161.05899	1.0
163.07535	4.9
164.02895	1.0
165.07013	2.7
167.08568	2.5
169.06505	3.7
170.07291	6.5
171.03690	1.2
175.07619	1.2
177.09270	1.2
180.05725	2.5
181.06500	19.9
182.07317	6.5
183.08112	1.9
185.09607	2.7
187.07486	2.3
192.54764	1.0
195.08105	8.0
197.06032	4.8
198.06779	12.4
199.07561	3.6
208.05261	1.8
209.06004	3.0
210.06738	3.2
211.07555	2.0
212.08293	1.9
213.09131	30.3
215.06967	1.4
223.07536	4.2
225.05592	1.5
226.06252	5.5
227.07025	1.6
227.10704	2.5
230.09206	1.0
240.07780	3.0
241.08626	18.8
242.09413	3.4
243.06680	1.1
252.59866	0.9
254.15849	0.8
255.10202	2.7
255.15930	5.8
257.08203	1.4
258.08957	4.2
273.11237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2586
Annotation	C16 Sphingosine
Peak:m/z	Relative Intensity
53.03942	0.7
53.20146	0.3
55.05518	12.8
56.62366	0.3
57.05831	0.7
57.06799	0.5
57.07083	10.3
58.06609	0.7
66.04690	0.3
67.05503	2.6
69.07055	0.9
70.06593	0.8
70.77961	0.7
70.88009	0.4
71.08640	5.0
72.08163	100.0
75.29253	0.3
79.05505	2.9
81.03429	0.5
81.07062	4.1
83.08631	0.9
85.10184	2.4
90.09226	0.5
91.05489	6.9
93.07066	1.6
94.04202	0.8
95.08615	5.3
96.56226	0.4
97.10191	0.9
98.06083	0.8
105.07042	3.7
107.04958	1.9
107.08604	0.8
109.10169	2.5
117.07024	6.8
119.08603	3.9
121.10168	0.5
123.11723	0.4
126.09183	0.7
129.07007	0.9
131.08574	4.4
133.10162	2.7
145.06583	0.5
145.10138	1.1
147.11720	0.6
159.11723	1.0
164.10721	0.9
165.11525	2.2
173.13275	3.4
175.14816	2.2
178.12239	0.4
183.17505	0.8
201.12784	1.2
242.01244	0.4
254.24815	65.1
272.06396	1.4
272.20102	14.9
272.25784	1.7
272.29578	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2012
Annotation	Anacyclin
Peak:m/z	Relative Intensity
53.03952	3.4
55.05515	11.5
56.05039	7.5
56.69851	1.1
57.07063	2.9
58.06584	2.4
59.01344	1.0
59.75610	1.1
65.03929	3.4
65.56046	1.0
66.04729	36.3
67.05179	1.6
67.05509	24.9
69.03429	2.6
69.07059	3.0
70.06593	3.4
70.56988	1.8
71.06994	1.5
71.07381	30.1
72.08161	20.6
75.60525	1.0
79.05501	100.0
80.63905	0.9
81.03414	1.1
81.07062	12.9
83.08624	1.6
84.08113	1.0
87.04465	1.1
91.05490	46.5
93.03410	1.0
93.06495	1.9
93.07054	24.4
94.04202	19.0
94.06562	1.4
95.04977	15.6
95.08172	0.8
95.08634	9.0
95.50750	1.1
96.04475	1.9
97.05234	1.4
98.06047	4.1
105.07044	26.7
107.04944	3.2
107.08605	56.9
109.06533	3.2
109.10174	1.1
110.06048	2.1
115.05447	2.5
116.06257	1.6
117.07027	31.2
118.07832	1.5
119.06046	2.4
119.08594	11.5
121.06522	3.8
121.08881	1.5
121.10127	3.1
126.09154	3.0
129.07013	4.7
131.08586	37.9
132.97134	1.0
133.06490	2.0
133.10152	19.3
134.09641	1.9
136.11208	1.3
140.10628	1.6
141.06960	2.4
142.07819	1.5
143.08549	3.7
145.06480	4.0
145.10138	21.2
146.07347	2.2
147.07997	2.4
150.09122	4.2
155.08578	3.2
156.08240	1.0
157.10153	3.3
159.08046	1.9
159.11667	4.1
164.10709	2.5
165.11513	65.4
169.94304	1.0
173.09621	1.2
173.13297	16.2
175.14851	3.2
183.11691	2.1
201.12759	4.3
254.24731	2.0
272.06335	3.0
272.14096	1.6
272.17184	2.2
272.20120	30.6
272.25705	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	272.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.05516	2.9
56.05038	6.9
57.07070	0.8
58.06598	1.6
62.06098	0.4
65.03944	2.4
65.04234	0.4
66.04727	34.3
67.05510	12.3
68.06277	0.8
69.07072	0.4
70.06588	1.7
70.78521	0.8
70.78896	0.7
71.07379	30.8
72.04513	0.4
72.08161	7.4
77.03913	0.8
79.05498	71.9
81.03435	0.7
81.07054	3.1
84.08129	0.5
91.05488	15.9
92.06284	0.7
93.03429	0.7
93.07059	5.1
94.04196	23.3
94.06557	0.5
94.07811	0.5
95.04366	0.8
95.04975	14.5
95.08619	2.8
96.04502	1.5
97.05282	1.1
98.06062	2.0
104.00567	0.3
104.23079	0.5
105.04514	0.6
105.07038	10.3
107.04970	1.4
107.08602	57.8
109.05272	0.4
109.06520	2.3
110.06049	2.1
111.06850	0.5
112.28199	0.4
117.07047	4.5
119.06051	2.3
119.08580	3.4
121.06526	2.5
121.08909	0.4
121.10154	1.6
122.06024	2.0
126.09145	0.5
131.08585	5.4
133.10143	5.8
134.06042	0.8
134.09644	1.2
136.11224	1.1
142.07837	0.4
145.06444	0.5
145.10153	3.0
147.08022	0.6
147.11748	0.5
150.09152	4.6
155.08606	0.6
157.10114	0.6
159.08066	0.7
159.11705	1.3
164.10718	3.0
165.11505	100.0
173.09593	0.5
173.13289	4.1
175.14798	1.4
178.12311	0.5
183.11717	0.5
201.12799	1.9
272.06580	0.8
272.20105	47.5
272.29486	6.5
288.97739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01859	1.1
55.05504	9.2
56.05035	9.6
57.07072	1.4
58.06577	1.8
65.03928	3.0
66.04725	50.9
66.05077	2.8
67.05502	24.9
69.03443	1.6
70.06580	3.4
70.30830	2.4
71.06992	2.8
71.07375	45.1
71.30592	1.3
72.08160	23.7
77.03911	1.5
79.05495	95.4
81.06718	0.9
81.07065	9.2
83.08630	1.4
90.05534	1.3
91.05482	39.9
93.06493	1.5
93.07053	21.0
93.84175	1.1
94.03612	1.9
94.04189	31.0
94.06573	1.3
95.04968	24.5
95.08611	6.0
96.04521	1.1
97.05239	1.7
98.06028	4.4
103.04600	1.1
105.07036	23.2
107.04945	3.2
107.08593	47.5
109.06508	3.2
110.06004	3.0
111.15678	1.3
115.05457	1.3
117.07009	26.4
118.07778	1.7
119.06089	2.5
119.08585	10.3
121.06493	2.2
121.10150	1.8
122.06026	4.0
126.09146	3.2
128.06155	1.2
129.07024	3.1
131.08574	29.3
133.06494	2.1
133.10124	18.8
136.11220	2.1
141.07077	1.2
143.08513	1.9
145.06494	3.3
145.10126	13.8
145.29793	1.1
150.09146	6.2
155.08603	1.4
157.10112	3.3
159.08043	1.5
164.10713	3.9
165.11493	100.0
173.13248	14.1
175.14827	5.0
176.97144	1.2
183.11737	1.4
201.12730	3.4
272.06305	2.5
272.20096	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	271.2422
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05511	5.4
55.49689	0.6
57.07072	2.4
58.06598	1.2
67.05186	0.8
67.05514	10.2
69.07074	15.6
70.57590	2.2
71.08640	1.3
78.34350	0.7
79.05508	3.7
81.07062	21.6
83.08619	6.8
91.05482	5.3
93.07055	13.3
95.08616	24.6
97.10207	3.5
105.07045	15.0
107.08607	19.2
109.10165	24.7
111.11697	1.3
117.07017	2.9
119.08591	19.7
121.06501	0.8
121.10146	14.9
123.11718	12.3
129.06941	0.8
131.08543	6.0
133.10136	16.5
135.11710	13.3
137.13243	3.4
144.09352	0.8
145.10138	14.7
147.11690	15.0
149.13263	11.8
158.10867	0.8
159.11714	14.3
161.13272	15.0
163.14856	8.3
168.05809	0.8
173.13287	11.2
175.14864	11.3
177.16396	3.2
184.96121	0.8
185.13193	1.1
187.14841	10.9
189.16402	6.0
191.01004	0.8
201.16403	11.4
203.03461	1.4
203.17966	2.1
211.07611	2.0
213.16254	0.9
215.17986	18.8
225.22179	1.6
228.07419	1.4
229.19461	4.2
256.07065	1.2
271.06055	8.4
271.09521	6.5
271.24231	100.0
272.24414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.092
Annotation	Xanthoxoline
Peak:m/z	Relative Intensity
55.05500	1.8
56.96550	0.8
59.04998	3.2
62.81961	0.5
67.05503	0.8
67.37777	0.5
68.05006	0.8
68.49714	0.5
69.07072	0.6
69.56538	2.2
69.56951	0.9
70.06593	7.1
71.04983	1.4
72.08138	1.8
72.44849	0.5
78.54897	0.5
79.05495	1.0
81.07044	1.4
84.04496	1.2
84.08156	3.3
85.02885	1.3
86.09701	2.6
87.04486	0.7
91.05496	0.6
97.10180	0.7
98.97540	0.7
103.05485	0.7
107.04955	2.1
107.08594	1.1
109.10137	0.6
110.07130	0.8
113.09619	0.6
114.05542	0.9
116.07065	2.2
116.98610	0.7
125.09695	0.7
129.10225	1.1
139.05391	1.9
141.44977	0.5
142.08624	4.2
143.00250	0.7
147.04414	0.9
151.07652	0.5
157.07677	0.9
161.01221	1.1
166.06511	5.4
167.04956	0.8
183.06825	5.1
184.07501	0.6
193.83871	0.5
194.06021	8.2
195.06468	0.5
198.05618	0.5
199.07533	1.4
211.06230	4.5
226.08658	3.9
228.06554	3.0
229.07317	6.2
240.15999	0.8
242.04538	4.2
254.17516	0.9
256.05835	0.5
257.06842	34.0
267.04056	0.7
272.09180	100.0
272.18631	9.9
273.09525	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	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
50.35594	3.0
54.01745	3.2
55.05511	9.4
57.07066	11.4
58.07410	4.5
67.05526	16.5
69.07074	17.3
70.99649	3.8
71.08627	7.8
71.52322	5.2
73.03984	3.0
79.05478	7.2
81.07066	31.4
83.08621	4.0
91.05482	15.9
93.07039	18.5
95.08621	30.0
97.01720	3.4
105.07050	34.5
107.08615	30.9
107.65656	3.2
109.10149	21.2
119.08596	23.8
121.10154	15.5
123.11693	17.6
131.08572	12.5
133.10176	16.0
135.11723	18.2
145.10155	18.0
147.11699	46.4
149.13257	16.1
159.11742	29.3
159.15819	3.8
161.13283	16.2
163.14796	5.6
173.13220	18.2
175.14815	17.3
177.16374	4.3
187.14803	19.9
189.16423	8.2
190.10524	3.7
201.16380	13.8
215.18016	14.3
229.19601	4.4
243.20993	3.8
271.06012	21.1
271.20981	5.6
271.24219	100.0
271.28259	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	271.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.3
56.54612	0.5
57.03396	0.6
57.07077	3.3
67.05506	16.0
69.03433	0.9
69.07075	2.3
71.03986	1.2
71.04998	9.7
79.05495	5.5
79.60179	0.6
81.03429	0.9
81.07061	87.3
89.06053	1.3
91.05502	2.3
93.07051	8.5
95.04991	3.4
95.08607	14.3
105.07033	2.9
107.08606	1.6
109.06544	1.7
109.10171	1.6
121.10176	1.4
123.11716	100.0
131.08607	0.7
133.10106	2.4
141.12700	1.1
151.11189	4.5
157.33569	0.7
169.12265	2.5
203.03323	0.6
211.16922	11.3
257.17569	3.6
261.98798	0.7
271.06015	3.5
271.24109	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1696
Annotation	17beta-Dihydroequilin
Peak:m/z	Relative Intensity
53.03941	7.4
55.01881	4.7
55.05516	27.3
57.07067	5.1
58.47517	2.5
64.87421	2.3
65.00195	2.4
67.05502	8.9
69.07079	84.6
70.95594	2.8
70.95927	4.8
73.73303	2.3
79.05505	16.7
81.07073	22.5
83.08627	6.7
91.05493	29.0
93.07052	47.4
95.04955	4.7
95.08614	12.8
97.10191	8.9
103.05430	4.9
105.04529	2.5
105.07040	16.9
107.04955	4.5
107.08613	47.2
109.10168	30.1
111.11745	28.3
117.07028	8.1
119.04923	3.4
119.08578	5.1
121.06525	51.6
121.10162	5.8
123.11733	17.2
129.07018	7.9
130.07851	2.9
131.08574	7.1
133.06493	10.5
135.08060	4.6
135.10860	3.1
135.11728	39.1
141.06953	8.8
143.08589	7.2
144.05684	3.5
145.06503	26.6
145.10114	8.0
147.08040	4.9
149.06009	66.5
153.06953	2.6
154.07834	5.0
155.08568	11.3
157.06473	3.5
158.07243	6.8
159.08092	30.1
161.05986	11.3
161.09605	4.4
163.07562	12.7
168.09311	3.1
169.10133	9.4
171.08069	7.8
172.08839	8.0
173.06012	26.4
173.09639	11.5
175.07510	14.3
177.09100	8.9
179.08629	5.1
182.07307	7.3
183.08081	13.7
183.11771	4.6
185.09695	5.7
187.07578	53.1
187.11159	14.9
189.09117	10.5
193.10139	3.5
195.08087	8.3
196.08896	11.9
197.09686	22.6
198.10481	4.7
199.11130	3.1
201.09154	33.1
203.10728	5.9
209.09644	5.9
210.10419	16.2
211.11205	74.0
215.10689	39.1
217.30983	2.8
224.11847	3.5
229.12234	13.5
238.13652	3.2
253.15930	100.0
271.05994	11.5
271.16946	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1695
Annotation	17beta-Dihydroequilin
Peak:m/z	Relative Intensity
53.03946	7.2
55.01869	6.3
55.05517	30.2
57.02631	3.1
57.07077	4.3
67.05512	14.2
69.07076	100.0
70.87114	5.1
74.14234	2.7
79.05508	24.2
81.07056	25.2
83.08630	12.5
91.05492	38.9
93.07052	66.0
95.04985	3.8
95.08631	16.9
97.10188	13.5
105.07043	21.1
107.04960	8.0
107.08610	52.9
109.10162	32.1
111.11717	33.2
115.05482	5.6
117.07032	8.7
119.04981	7.1
119.08604	9.4
121.06518	59.1
121.10178	9.0
123.11732	20.7
124.60494	3.1
128.06238	7.4
129.07002	8.3
130.07790	3.7
131.08572	10.5
133.06525	14.4
133.10106	3.3
135.08061	5.8
135.11703	56.4
137.05981	42.1
143.08582	8.7
144.05746	5.4
145.06502	32.7
145.10147	9.5
147.08067	8.3
149.06000	80.2
155.08588	13.2
157.06488	6.2
157.10126	4.8
158.07289	9.4
159.08087	35.1
159.11719	5.7
161.06075	15.0
161.09624	8.0
163.07567	18.8
165.06949	3.8
167.08600	4.2
169.06490	6.3
169.10150	10.7
171.08090	7.3
172.08835	4.1
173.06007	30.8
173.09651	11.7
175.07553	19.8
177.09184	8.8
178.07747	4.4
179.08516	3.6
181.06424	4.4
182.07330	6.4
183.08043	13.9
183.11707	4.1
185.09691	8.8
187.07570	65.5
187.11194	15.2
189.09138	13.3
191.10626	3.1
193.10222	3.5
195.08110	6.4
196.08858	16.1
197.09657	30.1
198.10611	3.9
199.11176	4.3
201.09158	41.8
203.10707	9.7
209.09587	4.8
210.10440	14.2
211.11195	76.6
215.10692	45.7
224.11937	3.1
225.12781	6.3
229.12219	18.2
238.13554	4.3
253.15892	99.5
271.05939	25.0
271.16953	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1443
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
53.03951	2.1
55.01883	2.2
55.05518	8.5
64.67738	0.8
67.05514	3.8
68.99827	0.9
69.06734	1.6
69.07081	23.9
69.07460	1.2
71.04968	1.0
71.52205	1.3
79.05501	8.6
81.07060	9.5
83.08586	2.6
91.05496	9.4
93.07053	16.4
94.06612	1.2
95.04990	1.2
95.08638	4.4
96.08136	3.1
97.10186	2.3
105.07041	5.1
106.06565	3.4
106.46839	1.1
107.04949	1.7
107.08607	13.2
108.08140	9.4
109.10174	10.0
111.11752	8.5
115.05428	2.1
117.07023	1.8
119.04980	1.5
119.08586	2.1
121.06522	19.7
121.10117	2.3
122.09658	1.1
123.11720	7.5
128.06239	2.4
129.07033	3.8
131.08557	2.6
131.14825	0.8
133.06496	3.7
133.10115	1.5
134.06033	1.4
135.04419	0.8
135.08031	2.2
135.11720	12.0
136.07613	1.0
138.54543	0.8
141.07050	2.7
141.32851	0.9
142.07761	1.5
143.08644	1.6
144.05699	1.2
145.06470	5.7
145.10146	3.5
147.08043	1.6
149.05998	25.3
153.01869	1.2
153.07022	1.6
155.06111	1.1
155.08582	3.4
157.06560	1.8
157.10147	1.6
158.07271	2.0
158.09706	1.5
159.08084	8.9
159.11700	1.1
161.06000	3.8
161.09686	1.6
163.07538	4.9
165.06975	2.5
166.07826	1.6
167.08614	1.4
168.08121	4.4
168.09424	1.3
169.06505	1.1
169.08868	3.0
169.10193	3.0
170.09613	1.2
171.08133	1.3
172.07550	2.4
173.06007	8.9
173.09624	2.8
174.09218	1.8
175.07591	3.6
177.09105	2.4
179.08481	1.4
181.06474	1.6
181.10143	1.7
182.07300	2.1
182.09715	2.0
183.08092	3.3
183.10406	6.2
185.06110	1.3
185.10884	1.2
186.11555	1.8
187.07544	14.8
187.08978	1.4
187.11217	3.8
189.09132	3.7
193.10141	1.6
195.08089	2.7
195.11719	1.3
196.07584	3.6
196.09052	1.9
197.08061	6.6
197.09958	6.1
198.12852	6.3
199.07396	0.8
199.08749	8.0
199.12355	1.7
200.13130	1.5
201.09091	10.2
203.10741	2.2
207.11798	1.2
208.11191	1.0
209.09674	1.1
210.10493	1.4
211.09892	10.7
211.11316	8.8
213.10298	12.0
214.11041	4.9
215.10710	10.6
215.15393	3.5
223.11221	3.0
224.12032	1.1
226.12303	30.9
227.11824	18.1
228.12639	28.4
229.12248	3.7
235.40349	0.9
239.65218	0.9
241.09999	1.7
241.12328	2.9
242.10628	1.1
243.14992	27.1
243.17390	1.3
253.13330	4.0
253.15901	22.2
254.11792	2.4
255.11307	21.4
256.12109	27.0
271.05994	12.3
271.14410	100.0
271.17044	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.05503	0.3
55.82996	0.2
57.03438	0.2
57.07072	0.2
58.06602	1.3
65.03961	0.2
66.17120	0.2
67.05497	0.4
69.03421	0.5
69.07078	0.5
70.32015	0.2
70.44849	0.2
71.04642	0.2
71.04984	0.5
78.04700	0.3
79.05502	2.2
81.03430	0.2
81.07069	0.5
85.02917	1.2
89.03848	0.2
91.05490	4.9
93.07117	0.2
95.08627	0.2
97.02880	0.2
105.03409	0.4
106.05848	0.4
106.06565	7.6
107.04953	0.4
109.06516	0.5
116.04990	5.6
119.04953	0.5
119.06052	0.3
121.02885	0.2
121.06503	0.8
124.05293	0.2
127.03958	0.3
132.04485	0.6
133.06476	0.3
134.06026	100.0
153.01865	1.1
153.07016	0.6
155.08604	0.3
157.07573	0.2
160.07628	0.5
165.07031	1.2
168.05775	0.3
169.06544	0.3
181.06523	0.3
183.08015	0.5
184.54457	0.2
192.90120	0.2
193.06516	0.2
203.07094	0.2
205.13431	0.5
211.07564	0.9
213.30450	0.2
243.06540	0.2
271.06024	13.1
271.09552	2.5
271.14404	6.3
271.17282	0.5
271.24179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60077	1.2
55.01867	1.9
56.96303	1.6
56.96571	24.3
57.03422	1.2
58.06589	3.5
61.02927	1.5
68.41024	1.2
69.03416	2.7
70.06606	6.6
71.52338	1.4
71.95247	2.1
72.08143	1.5
72.96052	2.9
73.02924	1.8
81.03423	1.4
81.07037	1.2
84.08138	3.5
84.96015	2.0
85.02903	5.1
86.09705	4.9
88.10532	1.0
91.05467	1.1
92.05006	2.1
97.02882	2.3
98.06036	1.5
98.97592	100.0
101.00835	1.2
110.06049	4.2
110.07162	5.5
111.07469	1.1
116.00223	2.2
116.97832	2.4
116.98631	36.3
119.04960	2.3
122.02376	4.6
126.02361	1.9
127.03973	2.0
128.98605	1.3
134.01302	1.4
134.99684	6.9
139.03999	2.2
139.05019	30.8
140.03435	14.7
142.05374	2.5
146.05989	1.4
151.03886	2.6
152.07114	1.4
153.01872	3.6
155.01926	1.3
158.04849	2.6
160.06459	3.6
171.03264	4.0
188.05954	2.8
189.04347	11.8
191.04149	1.2
194.09244	2.3
206.07050	7.5
207.05383	2.4
221.05005	1.2
224.08122	6.7
230.07019	40.9
248.08086	49.7
266.09103	3.4
271.06015	36.7
271.08701	3.6
271.14264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0968
Annotation	Imperatorin
Peak:m/z	Relative Intensity
60.40820	0.3
65.28290	0.3
67.05492	0.5
69.07076	17.2
70.19739	1.2
80.35272	0.3
91.05479	1.4
93.90482	0.3
95.04937	0.6
103.05461	1.0
118.23853	0.3
119.04934	0.4
124.34884	0.3
129.03378	1.3
131.04938	7.2
135.04437	0.4
147.04428	29.2
157.02869	1.7
159.04417	2.7
175.03929	9.1
175.05481	0.3
175.82451	0.3
185.02338	2.1
202.02605	0.5
203.03413	100.0
204.03734	0.7
215.03412	1.8
223.12447	0.3
229.04953	0.5
264.20114	0.3
271.09708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0595
Annotation	Apigenin
Peak:m/z	Relative Intensity
58.06643	0.0
65.03947	0.1
67.01870	1.5
68.99467	0.0
68.99785	0.8
69.03408	0.0
69.41963	0.1
69.42367	0.2
81.03435	0.1
91.01821	0.0
91.05488	1.2
97.02919	0.1
107.45453	0.0
109.02871	0.1
111.00799	0.2
115.05417	0.1
118.06540	0.0
119.04948	4.4
121.02867	1.5
125.02369	0.1
127.03914	0.1
127.77264	0.0
129.01831	0.3
131.04922	0.1
134.44502	0.0
135.00841	0.0
141.06978	0.2
145.01761	0.1
145.02844	1.1
145.03996	0.1
145.06566	0.1
153.01834	10.1
155.04922	0.1
157.06464	0.1
159.04472	0.0
161.05981	0.0
163.03912	0.8
165.07034	0.1
168.05676	0.0
169.06509	0.2
171.02887	0.6
173.06020	0.1
179.85023	0.0
185.05928	0.1
187.03934	0.3
197.06073	0.2
201.05533	0.1
202.06264	0.1
203.07144	0.2
211.03952	0.1
215.07124	0.1
225.05443	0.6
229.05029	0.5
243.06516	0.7
245.04515	0.1
247.06140	0.2
253.05016	0.2
256.07068	0.0
270.05246	0.1
271.06015	100.0
272.06314	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0602
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.30507	0.0
51.84455	0.1
53.03941	0.0
53.40288	0.0
56.32106	0.0
65.03932	0.1
67.01865	1.4
68.99439	0.1
68.99789	0.8
69.03419	0.1
69.32100	0.0
69.38969	0.4
70.06593	0.1
78.53652	0.0
79.05496	0.1
81.03432	0.1
81.07068	0.1
85.02871	0.1
91.05479	1.3
93.07035	0.1
95.04966	0.1
97.02870	0.1
105.07006	0.1
107.04924	0.1
109.02856	0.1
111.00816	0.2
111.68421	0.0
115.05407	0.1
116.07096	0.1
119.04945	4.8
121.02869	1.4
125.02352	0.1
127.03925	0.1
129.01845	0.2
131.04997	0.1
135.00844	0.0
141.06981	0.2
143.03416	0.1
145.02847	1.3
145.06546	0.1
153.01833	9.9
155.04921	0.1
163.03909	0.9
165.07007	0.1
169.06471	0.2
171.02905	0.6
173.05986	0.1
185.05940	0.1
187.03908	0.3
197.06023	0.3
202.06439	0.1
203.07092	0.2
224.39684	0.0
225.05463	0.5
229.05006	0.5
242.05746	0.1
243.06523	0.8
247.06033	0.2
253.04980	0.1
270.05283	0.1
271.06009	100.0
272.06320	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
53.64985	0.6
55.05520	23.7
56.05029	0.6
57.05820	0.9
57.07082	8.2
61.96294	0.6
67.05515	3.3
69.07079	7.4
69.54052	4.4
70.06602	6.4
71.08636	3.6
72.08165	100.0
79.05505	2.3
81.07064	5.7
81.43094	0.6
83.08633	8.1
85.06585	0.6
85.10201	2.2
86.09695	0.9
88.07652	2.4
90.09203	1.5
91.05486	0.9
93.07073	2.5
94.07233	0.6
95.08627	4.0
97.06541	1.5
97.10182	5.6
98.06076	6.5
98.21536	1.1
104.10785	1.4
105.07021	0.9
107.08629	2.8
111.08098	1.1
116.07107	0.8
121.10181	2.9
125.00022	1.0
130.54156	0.7
149.54947	1.4
161.05783	0.7
163.14787	1.5
210.22224	1.6
240.10062	1.1
241.11595	0.6
251.98198	0.6
252.23257	75.8
270.24368	13.7
270.27588	0.8
271.06067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40330	0.7
55.01877	26.4
55.05513	27.0
57.07067	2.4
60.23300	0.7
64.84792	0.7
65.91404	0.8
67.05508	4.1
68.07481	0.7
69.07070	15.8
70.23555	2.7
70.23894	0.8
70.54421	0.7
71.08617	2.4
72.08159	14.9
79.05500	3.6
81.07062	6.2
83.05006	0.8
83.08623	22.3
85.06538	1.2
85.10174	0.8
88.84561	0.6
91.06055	0.7
93.07034	3.1
95.08615	5.8
97.06521	3.0
97.10173	15.5
107.08584	3.2
111.08064	2.1
111.11713	2.4
121.10152	5.4
121.52409	0.8
163.14792	1.1
181.15889	31.1
199.35037	0.7
202.74081	0.7
249.10141	0.7
252.23242	100.0
270.24335	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	270.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
55.05272	0.7
55.05513	10.0
57.07080	55.3
58.15579	0.4
59.61645	0.4
60.04513	0.6
67.05508	10.0
69.07072	13.4
70.23838	1.0
70.24216	1.0
71.04989	0.6
71.08627	0.9
72.08171	2.9
74.09725	53.8
79.05510	1.6
81.07063	23.2
83.08622	8.1
84.08150	0.5
85.06567	0.9
86.06054	1.5
91.05470	1.0
93.07041	1.8
95.08616	27.9
97.06522	0.7
97.10178	8.2
99.08035	0.4
100.07635	3.5
105.07001	1.2
107.08597	1.1
109.10155	1.4
111.11713	1.8
115.43074	0.5
116.10726	1.3
119.08571	2.0
121.10151	1.3
123.08067	0.5
124.11221	0.5
133.10150	1.1
135.11694	1.4
135.90102	0.4
137.13260	9.2
142.12292	4.6
144.10246	1.3
155.14325	3.9
156.13823	2.9
161.13312	2.8
161.14470	0.5
168.13858	0.9
168.17500	0.6
170.15440	1.4
176.01315	0.4
179.14322	1.5
181.15923	0.8
182.15511	1.0
184.05313	0.6
184.16949	1.1
196.17012	1.8
197.15404	0.6
198.06438	0.6
199.07292	0.6
210.22182	1.0
212.04729	1.7
218.38033	0.5
227.07043	7.0
242.09067	1.7
252.23256	41.9
255.06580	4.4
270.08826	11.3
270.24298	100.0
271.06039	1.0
271.24579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.6
56.10568	1.4
56.37037	1.4
56.96547	1.6
58.06585	2.9
59.04716	2.3
59.05006	44.2
60.04536	3.2
69.07055	1.9
69.61720	8.8
70.06602	19.0
72.08167	9.6
84.04505	1.7
84.08138	7.4
85.02915	2.0
86.09715	4.4
91.05482	11.3
93.07037	5.7
95.04958	2.1
97.02897	1.8
98.06034	3.8
103.05492	1.8
105.07030	3.4
107.04975	4.1
110.07189	3.3
112.08728	4.5
115.03922	1.5
115.05410	1.6
119.04971	1.9
120.08076	2.5
121.01074	1.6
121.06516	19.8
128.07079	4.0
129.07007	4.1
129.10239	1.6
131.04942	53.6
131.08591	36.5
133.06494	7.3
135.04402	2.4
135.08038	1.5
136.07587	3.0
138.12737	1.3
141.06998	2.2
144.05714	3.2
147.04501	1.8
147.08070	9.2
149.00632	3.5
149.05997	89.7
150.77592	1.4
151.07567	1.6
157.10844	4.0
159.08072	59.8
161.09512	1.8
162.47382	1.3
163.03854	2.3
163.07582	1.7
169.07590	2.1
177.09125	100.0
180.10213	7.2
183.14851	2.5
189.09099	3.5
195.10197	47.0
198.05757	1.5
211.14706	1.6
242.19768	7.0
246.99066	2.3
266.95099	1.5
270.09192	2.2
270.17007	17.8
270.19385	3.7
270.24548	1.6
270.36713	1.3
271.05914	2.1
272.67966	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25949	0.7
55.05515	11.2
57.07085	29.2
63.05525	0.7
64.33899	0.7
67.05186	1.0
67.05515	16.2
69.03409	0.9
69.06731	1.3
69.07080	18.8
70.06606	5.3
71.04991	2.4
72.08160	2.4
74.06061	1.6
74.09720	2.7
79.05494	4.4
81.07066	61.3
83.05002	2.4
83.08622	6.0
88.07626	2.1
91.05471	1.4
93.07064	5.5
95.04970	4.2
95.08617	37.4
97.10159	1.1
98.06065	37.1
99.06866	1.2
100.07642	0.8
105.07035	2.1
107.08581	1.7
109.06523	1.9
109.10160	1.9
112.07624	3.7
121.10126	1.2
123.08025	0.9
123.11724	64.6
126.09184	1.0
126.12787	2.5
130.12282	2.4
133.10144	2.8
140.10712	5.0
140.14278	0.8
148.04031	1.1
151.11194	3.3
151.40988	0.8
154.12286	7.2
155.13016	1.0
168.13864	3.6
169.12271	2.0
171.02994	0.8
196.16945	1.1
196.20641	0.9
197.11758	28.7
215.12813	43.1
224.20126	8.5
242.21162	6.9
242.24995	1.1
270.20673	100.0
271.06177	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	270.1127
Annotation	Uguenenonamide
Peak:m/z	Relative Intensity
53.03925	2.8
54.28296	1.3
55.05509	2.3
58.06590	1.8
59.43578	1.6
70.06576	2.0
71.25243	1.2
79.05495	25.7
81.07040	2.3
95.04954	5.0
95.08620	1.9
95.71461	1.3
96.55708	1.3
98.24569	1.4
98.25159	1.4
98.97586	1.4
103.05460	4.4
105.03398	86.9
106.06535	6.7
107.04964	59.6
107.05580	0.8
107.05721	1.5
109.02879	1.8
122.06037	100.0
131.04942	18.9
143.08606	1.6
149.06006	6.6
185.13632	1.9
200.07234	1.7
210.09148	11.9
227.07005	2.1
252.10255	6.0
270.08798	4.5
270.11411	2.9
270.18707	2.6
270.22269	1.4
270.27887	2.1
271.06042	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	269.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.7
57.07067	1.2
67.05504	3.1
69.07077	17.2
70.96370	0.5
70.96733	1.2
72.08143	1.3
73.91006	0.5
79.05502	3.2
81.07066	29.8
83.08604	0.5
91.05472	1.8
93.07026	1.3
95.08618	10.7
97.96132	0.5
109.10170	1.5
111.11723	2.1
115.05470	5.0
117.07024	12.9
119.08548	0.5
121.10162	0.5
123.11700	1.8
128.06229	0.5
129.07002	1.4
133.06509	0.9
135.35869	0.5
137.13251	4.9
143.08586	0.7
144.05629	0.5
145.06497	100.0
147.08075	2.3
157.06508	1.8
159.08067	3.7
171.08057	2.3
173.09612	1.3
184.08760	0.6
185.09633	4.7
187.11211	1.5
199.11185	2.1
201.12862	0.9
213.12677	2.2
252.23309	1.0
260.84109	0.5
269.19037	7.5
269.22064	0.8
271.37180	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.02377	1.5
51.41253	1.2
53.03938	4.0
55.01876	3.3
55.05516	23.0
57.03442	29.7
57.07062	5.4
65.03930	3.7
66.04325	1.0
67.05511	72.5
67.78762	1.1
68.36346	1.2
69.06731	2.0
69.07074	29.6
69.31504	11.3
71.04978	5.1
71.08614	2.0
74.89406	1.2
79.05502	46.8
81.03426	3.0
81.07064	100.0
83.05009	8.5
83.08150	1.7
83.08626	20.7
84.08168	1.5
85.06557	7.0
91.05486	25.7
93.07053	76.4
95.04950	5.9
95.08611	29.5
97.06540	21.9
97.10153	3.6
99.04490	1.2
99.08091	5.2
103.56850	1.1
105.04507	1.4
105.07042	10.3
107.04946	4.5
107.07876	2.3
107.08598	41.7
109.06510	4.5
109.10146	6.2
111.08099	9.8
113.09663	1.4
117.07030	13.4
119.08592	2.7
121.06510	3.9
121.09332	1.8
121.10155	23.7
123.08076	1.6
123.11727	6.4
125.09647	1.5
129.07092	1.5
131.08595	14.9
133.10132	15.8
135.08046	1.9
135.11705	14.8
139.11195	1.4
145.10139	3.3
147.11734	2.9
149.13268	49.2
151.11234	2.4
157.10204	2.7
159.11705	33.5
161.09714	1.6
161.13280	2.6
173.05992	3.0
177.12784	14.9
179.14368	3.0
185.13242	2.3
195.13803	17.8
201.35713	1.5
213.14894	1.3
251.20021	2.0
269.08215	5.7
269.11346	7.2
269.17517	77.9
269.22635	6.0
270.17889	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03937	3.2
55.01869	3.4
55.05271	1.7
55.05517	21.8
57.03440	29.9
57.07066	3.5
61.70194	1.2
61.70564	1.0
65.03931	3.1
67.05510	79.9
69.03415	2.2
69.06730	1.8
69.07071	26.5
71.05003	7.8
79.05500	47.5
81.03431	2.8
81.07063	100.0
82.03773	1.3
83.04990	12.8
83.08624	20.4
85.06577	7.0
85.07024	1.3
91.05489	31.2
93.07050	75.2
95.04990	8.0
95.08063	1.9
95.08617	25.0
97.06529	16.4
97.10162	1.7
99.08098	4.3
105.07045	13.2
107.08602	35.7
109.06506	4.1
109.10142	4.8
111.08076	7.5
113.06065	1.3
115.70403	1.4
117.07024	13.3
119.08566	4.3
121.06501	1.8
121.10152	21.2
123.04582	1.1
123.11703	4.4
125.09657	1.4
131.08569	15.8
133.10130	13.8
135.08022	1.8
135.10846	1.2
135.11714	13.2
139.11166	1.9
140.25157	1.3
149.09677	5.8
149.12047	2.4
149.13268	44.9
151.11180	3.7
157.10301	1.4
159.11700	32.9
161.13240	3.1
167.14299	2.1
177.12766	20.0
179.14430	2.0
195.13821	17.7
196.05196	1.9
209.05971	6.2
209.11804	1.6
211.07526	3.6
226.06093	3.7
237.05434	2.2
238.06232	2.4
241.08466	2.3
249.90393	1.7
251.16452	1.5
254.05667	5.2
269.07996	18.9
269.17487	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2273
Annotation	Allopumiliotoxin 267A
Peak:m/z	Relative Intensity
53.03949	0.4
55.01877	2.5
55.05515	11.1
56.97065	0.3
57.07073	1.3
57.93311	0.3
59.61433	0.3
65.03957	0.5
67.05511	26.8
69.03432	0.6
69.07073	36.0
69.82384	1.0
71.04996	0.4
71.07364	0.6
72.08160	16.4
72.70296	0.3
79.05498	4.7
81.03416	0.7
81.07063	34.6
83.04993	0.4
83.08157	0.3
83.08624	5.6
91.05497	2.3
93.07056	3.8
95.04970	0.6
95.08614	66.0
96.04484	0.4
97.06526	1.6
97.10184	0.7
105.07014	2.1
107.08613	1.3
109.06502	1.9
109.10163	12.9
111.08051	0.4
119.08584	2.5
121.10128	2.0
122.07018	0.3
123.08093	0.8
133.10143	1.2
135.11711	1.3
136.06247	0.4
137.09636	1.1
139.09949	0.8
151.14821	1.4
161.13287	2.5
179.14340	5.0
225.05652	0.6
250.21683	100.0
251.22343	0.4
268.07281	0.7
268.22720	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44891	0.2
55.01875	0.7
55.05276	0.4
55.05516	5.2
57.07080	14.4
58.06593	0.9
67.73953	0.2
69.03414	1.2
69.07073	10.4
70.77046	0.4
70.77364	0.5
71.08636	2.2
72.04520	2.6
72.08134	0.4
74.09720	0.7
81.07070	0.8
83.08620	3.6
85.10175	0.9
86.05598	0.3
86.06080	3.5
90.44495	0.3
93.07048	0.5
95.08609	1.1
97.06529	0.6
97.10190	3.0
100.07601	1.0
107.08626	0.3
111.08075	0.5
111.11738	0.5
114.09134	0.3
121.10143	0.7
128.10709	0.4
139.11182	0.3
141.95055	0.4
142.12277	0.4
161.45207	0.3
194.19064	0.5
195.17387	1.3
198.18546	0.4
211.62521	0.3
212.20103	13.8
240.26807	0.4
255.06178	0.3
268.26370	100.0
269.26709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
55.05514	0.6
56.05045	0.5
58.06609	0.5
61.17366	0.3
65.03958	0.5
69.07070	0.8
70.06593	0.6
72.04524	2.1
73.02925	0.6
74.06081	0.4
79.05513	1.6
81.03422	0.5
81.07058	1.1
83.08556	0.3
84.08134	0.4
91.05508	0.6
93.03429	0.3
93.07053	1.8
94.06580	1.4
95.08614	1.1
96.08130	1.0
97.06538	1.1
99.95378	0.3
100.03980	0.7
102.05497	0.5
105.07114	0.5
107.04953	0.3
107.08611	1.5
108.08128	10.0
109.08923	0.6
110.09704	0.6
116.07089	0.6
119.04945	0.7
121.02887	0.8
122.03220	0.5
122.09680	7.3
123.10474	1.5
124.03934	1.5
124.11236	0.9
128.07040	0.3
128.10736	0.3
133.10129	0.4
135.11682	1.9
136.06175	1.6
136.11223	3.7
137.06009	1.7
140.07095	0.7
142.08646	0.4
149.02350	0.7
150.02684	1.0
150.12791	16.9
150.54225	0.3
151.13570	9.1
152.07106	1.7
152.14304	0.4
156.10242	0.5
163.07561	0.4
166.08630	0.4
167.03450	1.0
167.09427	0.4
168.03758	0.7
168.10167	0.6
170.08131	0.6
170.11777	0.7
178.15901	4.1
180.10233	1.2
180.41187	0.3
182.11797	0.7
191.07033	1.3
194.11786	2.5
195.12527	0.9
196.13261	0.6
198.71986	0.3
222.14838	1.5
223.09650	0.8
224.16473	100.0
225.16844	0.4
226.18118	2.5
233.11758	1.6
250.18217	0.3
251.12840	1.0
268.06924	7.4
268.19095	77.5
269.04385	0.3
269.08084	0.8
269.19281	0.4
280.57483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05566	0.6
52.34948	0.7
53.03953	14.5
55.01883	4.6
55.05518	20.2
57.07064	1.5
57.57439	0.6
64.04686	0.6
64.63396	0.6
65.03920	1.0
67.05184	0.8
67.05513	10.5
69.07081	5.6
70.56410	1.8
72.08162	25.7
73.06570	4.6
73.72403	0.6
77.25885	0.6
79.05074	1.0
79.05501	14.0
81.03424	64.4
81.07067	10.2
83.04980	6.3
83.08624	1.0
87.18818	0.7
91.05486	4.1
93.07058	6.1
95.04374	1.3
95.04977	23.4
95.08616	13.2
97.06525	1.4
97.10171	15.5
105.07050	4.7
107.08592	5.1
109.06521	2.5
109.10165	3.2
112.74178	0.6
119.08582	6.5
121.10138	2.2
123.08096	2.3
131.30907	0.7
132.06293	0.6
133.10138	2.4
135.11720	0.6
136.06183	4.0
137.09578	0.7
161.13275	5.0
163.77766	0.6
179.14323	54.3
191.77432	0.7
225.05429	3.0
250.21687	100.0
253.05008	2.3
263.30850	0.7
268.07202	4.7
268.22733	7.9
268.25571	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05504	1.6
56.05028	0.7
56.15548	0.4
57.03437	0.4
58.06594	1.9
60.29350	0.3
60.41390	0.3
61.70142	0.3
65.03963	0.4
68.02895	0.4
69.07082	1.9
69.98518	0.4
69.98837	1.8
70.06590	0.4
72.04509	1.7
72.08157	0.5
73.02905	1.1
74.06094	0.5
79.05505	1.9
81.03416	0.8
81.07076	1.8
83.08595	0.6
84.08133	0.7
91.05484	1.2
93.07043	3.3
94.06567	1.1
95.04993	0.5
95.08601	1.3
96.08125	0.5
97.06549	1.2
97.46844	0.4
100.03994	0.9
102.05547	0.8
105.07020	0.5
107.08586	1.9
108.08127	9.1
109.08914	0.9
110.09743	0.8
119.04977	0.5
119.08585	0.6
120.08104	0.4
121.69144	0.4
122.09683	9.3
122.40004	0.3
123.10431	1.4
124.03963	2.2
124.11241	1.5
128.07129	0.5
135.04416	3.8
135.11670	2.5
136.06216	3.8
136.11238	3.2
137.05956	1.9
137.13252	0.7
140.07106	0.4
145.09924	0.4
147.04460	0.5
148.05197	1.3
150.12794	17.7
151.13570	8.2
152.07053	0.5
152.14392	0.5
156.10239	0.6
160.90266	0.3
163.07558	11.4
164.08348	0.5
165.09125	0.6
166.08525	0.5
167.09537	0.4
168.10217	0.9
168.91402	0.3
170.08139	0.4
170.11794	1.7
178.15926	4.3
180.10194	1.2
182.11757	1.1
191.07042	24.5
193.08597	1.0
194.11864	2.4
195.12541	1.0
196.13364	0.4
208.07510	0.4
222.14970	1.6
223.09673	20.0
224.16472	100.0
225.16734	0.7
226.18011	4.3
233.11803	1.2
236.12813	2.2
251.12810	0.9
268.15546	14.5
268.19098	65.0
269.19391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
53.61989	1.7
55.01869	2.5
56.05044	2.8
56.96573	1.9
57.03446	3.5
58.06593	2.0
60.04528	1.4
61.02935	7.7
69.03439	13.7
70.06583	4.3
71.04984	3.6
71.31046	1.6
71.31391	2.4
72.08164	2.3
73.02904	3.0
74.06097	16.9
75.06419	4.2
79.05504	1.6
80.05011	2.3
81.03429	7.0
84.04510	3.2
84.08160	16.2
85.02913	69.2
87.04478	3.2
89.06023	2.4
91.03957	4.6
96.04456	2.0
96.69037	1.5
97.02903	14.9
98.97648	1.6
99.04455	2.7
106.02951	3.8
107.04996	2.2
109.02895	4.5
118.16404	1.6
120.08096	5.1
121.02883	12.3
121.06527	2.0
121.08446	5.4
121.41483	1.5
123.04441	2.0
124.03970	49.4
127.03928	17.3
129.10245	3.1
130.05037	1.7
136.06203	100.0
145.04965	34.8
148.06082	2.3
152.05716	2.4
163.03986	1.6
163.06026	7.8
166.08699	5.1
167.08952	4.7
177.07855	7.5
178.05930	1.6
180.08684	4.6
185.19443	1.4
203.47890	1.4
206.11775	39.7
210.86954	1.5
215.09123	3.7
218.94611	1.4
221.97424	1.4
224.12852	5.0
233.10149	2.8
250.14575	9.1
268.08121	15.1
268.10629	4.3
268.15652	24.8
274.08044	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	0.3
69.03439	0.4
69.71126	1.9
70.63873	0.3
78.03477	0.3
80.04987	0.5
81.03436	0.3
91.05479	0.8
92.81136	0.3
97.06536	1.2
98.21488	0.6
106.02895	0.7
124.03961	13.0
136.06207	0.4
137.05977	1.1
163.07509	0.6
165.07004	2.5
179.08572	2.2
180.09323	2.8
189.06992	3.0
190.07782	11.7
190.09531	0.7
191.08568	98.3
192.09117	1.0
201.07027	0.4
205.06511	0.5
205.10123	2.8
207.08093	1.4
208.08838	7.5
217.06477	0.6
218.07297	2.5
219.08069	76.7
220.08849	10.6
222.06639	0.5
223.09541	0.8
233.09697	0.5
233.11795	0.8
235.07544	0.7
236.08340	15.1
241.48242	0.4
250.14513	0.8
251.10689	100.0
252.10881	0.6
268.08334	6.0
268.13321	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	268.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01865	0.8
58.06599	2.5
67.76436	0.4
68.05009	0.5
70.06598	3.8
70.65905	1.2
71.04999	3.8
71.27635	0.5
74.02453	1.0
79.05480	1.3
80.05013	1.4
81.03386	0.5
84.08115	0.9
86.06083	0.7
86.09718	0.7
88.04009	0.6
88.07633	3.4
89.03931	4.0
89.06027	0.6
91.05495	1.1
95.08643	0.5
98.06052	2.2
105.07063	0.8
105.82796	0.5
106.02930	1.3
106.08678	42.3
107.04976	2.4
115.05515	0.5
117.03396	8.0
117.07028	1.2
119.04939	2.6
121.02901	2.2
121.06496	1.5
123.04451	1.2
124.03970	16.6
128.07062	0.5
135.03400	1.1
135.04434	17.3
135.08034	1.1
136.06207	1.6
136.07582	3.0
137.05956	3.3
144.06573	6.5
145.02856	14.0
146.07256	0.9
147.04434	5.9
153.05502	1.0
159.08040	0.6
161.05919	0.9
162.05550	0.6
163.03920	100.0
163.07529	3.9
165.05521	1.5
167.07085	0.5
177.05515	1.8
177.09119	7.1
182.08165	1.0
187.11240	0.5
189.09146	2.4
191.07057	0.7
193.08649	0.6
195.10149	0.7
204.10196	0.6
206.11778	2.7
208.07370	1.6
214.36952	0.5
219.06375	0.6
222.11340	2.2
223.09674	3.8
237.07588	0.8
250.10760	1.9
268.08264	4.0
268.11829	22.4
268.15424	8.3
268.18829	1.0
285.99173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1043
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.77500	0.1
55.01882	0.4
56.96576	0.3
57.03436	0.8
59.04978	0.2
69.03456	0.4
69.45560	0.8
69.45964	0.3
70.06595	0.3
72.79061	0.2
73.02924	0.4
74.04845	0.2
84.08154	2.0
85.02914	0.6
85.08487	0.3
97.02866	0.2
98.20846	0.3
115.03941	0.3
119.03560	0.7
130.08649	0.6
133.04955	0.3
136.06197	100.0
137.04565	0.2
137.06564	0.2
164.07108	0.2
177.44272	0.2
190.03908	0.2
196.23503	0.1
208.05142	0.1
232.69644	0.2
237.85257	0.2
268.10385	9.9
286.13260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
57.03439	0.5
70.70745	0.5
74.81413	0.2
81.12886	0.2
85.02887	0.2
94.04044	0.3
97.02940	0.2
98.20774	0.2
102.15681	0.2
116.83884	0.2
118.42239	0.2
119.03542	0.7
128.89468	0.2
136.06189	100.0
167.37383	0.2
181.61021	0.2
268.10410	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	268.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.7
58.06598	0.7
63.02385	0.3
63.94217	0.2
65.03941	2.7
65.62825	0.3
67.05485	0.2
68.05045	0.3
69.03434	0.4
69.07084	0.3
70.06601	1.1
72.08171	1.3
78.03445	0.5
79.05549	0.3
80.04996	0.3
81.03430	0.6
81.07048	0.5
81.77785	0.2
84.04510	14.6
84.08158	1.4
85.02901	0.9
86.09715	0.5
91.05517	0.4
93.03432	1.2
93.07073	0.4
95.08611	0.4
96.04506	0.2
97.02896	0.3
98.03661	0.2
99.57526	0.2
102.05549	7.7
103.05443	0.3
106.02929	1.7
107.04964	0.5
110.07168	0.5
111.04457	0.5
114.03094	0.2
117.79436	0.2
120.08129	0.5
121.02879	100.0
122.03220	0.3
124.03962	13.4
127.30260	0.2
129.10260	0.5
130.05016	11.7
131.03453	0.3
136.06195	9.0
146.06015	0.3
146.07219	0.3
148.06059	27.8
166.75153	0.2
172.10214	0.2
172.49698	0.3
177.09111	2.1
182.11874	0.3
208.07527	0.3
208.09735	1.7
222.07600	1.6
223.09686	0.9
224.12906	0.5
233.11758	0.4
250.07153	1.1
250.10751	0.4
268.08182	6.8
268.10800	0.4
268.15512	2.9
268.19162	0.7
268.24734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.8
53.03945	5.6
55.01871	3.9
55.05271	1.4
55.05517	23.6
57.03439	28.0
57.07071	1.3
58.06619	1.8
60.38140	1.1
65.03944	4.4
67.05508	57.7
69.03429	2.9
69.07072	15.1
69.53690	7.7
71.04989	3.9
72.08163	3.1
77.03925	1.5
79.05499	55.4
81.03423	21.7
81.07062	53.0
83.04987	39.7
83.08614	8.7
85.02890	1.3
85.06561	2.6
91.05488	83.3
93.07049	69.6
95.04975	19.9
95.08617	18.1
97.02883	2.2
97.06544	5.5
97.10176	1.3
99.08119	3.4
103.05448	1.5
104.44537	1.2
105.03385	4.1
105.04513	2.2
105.07041	42.9
107.04972	14.8
107.08601	41.9
109.06525	8.8
109.10165	8.6
111.08109	2.7
115.05460	7.5
117.07034	23.7
119.04928	1.4
119.08586	27.2
120.64584	1.1
121.06546	1.9
121.10151	13.2
123.08073	2.3
123.11699	8.2
127.07577	2.7
128.06223	2.0
129.07008	18.7
131.08583	15.1
133.06497	2.8
133.10141	41.2
135.11696	39.5
137.09644	2.5
141.06943	2.8
142.07785	5.8
143.08536	2.6
145.06491	100.0
145.10152	4.9
147.08087	8.9
147.11690	22.7
149.09648	4.5
153.06969	1.4
155.08583	3.6
157.06497	3.1
157.10141	24.6
159.08055	5.5
161.09669	1.5
163.11176	4.0
165.12737	1.7
169.06485	4.3
169.10162	1.9
170.07307	1.2
171.08049	3.9
173.09555	2.8
175.11186	16.1
179.08531	2.2
182.07214	1.6
183.08118	13.4
183.11737	1.6
185.09628	12.0
192.08990	2.4
193.10533	1.7
193.12250	11.8
196.08829	1.8
197.09605	7.4
199.11188	1.9
211.11169	12.8
216.35294	1.2
225.12810	3.2
249.20419	3.0
250.09473	3.9
267.06879	1.9
267.09930	3.4
267.15897	30.6
267.17737	15.2
267.20953	2.3
267.21405	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03956	4.2
55.01875	1.5
55.05511	5.8
57.03442	20.0
67.05522	9.5
69.03413	2.4
69.07059	3.0
69.38979	6.6
71.04994	2.1
79.05502	9.9
81.03426	100.0
81.07061	12.6
83.04983	4.4
83.08627	15.5
91.05489	15.1
93.07062	7.1
95.01090	1.0
95.04980	21.0
95.08611	3.4
97.02891	1.7
97.10219	1.3
98.21585	1.5
98.98476	3.9
105.07037	12.2
107.04967	4.3
107.08609	3.4
109.06532	3.4
109.10149	1.5
111.04402	1.8
111.08112	6.5
112.77348	0.8
115.05376	1.3
117.07013	1.1
119.08594	12.0
121.06525	2.5
121.10160	5.1
123.08067	2.0
129.07013	7.6
131.08588	7.1
133.06509	2.7
133.10141	3.1
137.09659	2.0
142.07761	2.0
145.10185	1.1
147.08081	2.5
147.11690	5.4
149.09647	4.2
157.10156	9.4
165.12740	1.6
175.11198	7.8
193.12267	24.4
211.13356	3.6
214.40714	1.1
232.77443	0.9
249.14856	1.5
267.15939	67.2
267.40335	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Sardonialactone A
Peak:m/z	Relative Intensity
53.03931	6.8
55.01868	4.8
55.05509	13.0
57.03423	9.9
57.07055	6.5
59.40446	2.0
65.03923	4.0
67.05511	20.0
69.03433	13.7
69.07076	13.2
70.06613	14.2
71.05006	13.7
71.47798	3.0
72.08161	49.3
73.02923	3.9
74.06065	2.6
76.13164	2.1
79.05499	22.3
81.03425	12.5
81.07067	47.8
82.13955	2.1
83.04971	11.1
83.08611	2.8
84.04500	5.7
84.08120	7.6
85.02896	8.7
85.06529	4.6
86.09696	6.5
91.05479	19.9
93.06593	2.2
93.07050	25.5
95.04980	99.6
95.08623	24.6
96.08135	3.4
97.02898	25.4
97.06535	10.9
99.04464	10.5
99.08067	4.0
103.05429	2.5
105.03395	4.7
105.07042	30.4
107.04939	8.0
107.08604	28.4
108.05743	3.5
109.06528	100.0
109.09547	2.3
109.10172	21.4
109.81855	2.4
111.04432	16.3
111.08051	8.8
113.05985	7.1
115.05416	4.4
117.07000	7.2
119.04895	3.0
119.08588	29.3
120.04465	2.9
120.08093	3.1
121.02911	11.0
121.06512	15.1
121.10101	7.6
122.07178	4.9
123.04385	3.8
123.08055	10.2
123.11725	18.5
124.03981	3.0
124.07585	6.6
125.02370	3.8
125.05972	8.4
127.03905	3.9
127.07528	5.9
129.05489	2.3
129.06987	5.8
129.10262	5.5
131.08508	6.9
133.06465	8.2
133.10155	22.6
135.08044	8.1
135.11693	4.4
136.06165	3.0
137.05951	5.9
137.09605	5.5
139.03937	3.3
139.07556	10.6
141.05518	2.5
143.08525	6.6
145.06459	3.0
145.10115	6.5
147.08098	12.8
147.11728	10.4
149.05956	5.6
149.09625	3.5
149.13132	2.6
150.10356	2.3
151.03989	3.1
151.07544	82.2
151.11142	5.4
152.14337	11.7
153.09114	17.6
156.09381	4.0
157.10080	6.0
159.11687	3.5
161.09624	4.5
161.13248	6.0
165.09129	12.0
165.12738	4.1
167.07027	8.8
171.11665	7.9
173.13184	3.3
175.07539	7.7
175.11208	3.4
177.12650	3.1
181.08598	2.6
185.13280	3.8
186.95796	2.6
189.12787	10.8
190.13493	4.8
191.14265	8.3
193.08626	21.2
193.10210	4.2
193.12206	9.9
196.17006	28.5
203.14421	4.3
207.13870	23.0
208.14536	6.7
209.15366	27.7
211.09671	48.1
231.13710	5.9
249.12460	3.4
249.14864	29.2
267.10672	3.8
267.13422	6.7
267.15906	79.6
267.24298	23.7
285.40930	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	Alliacolide
Peak:m/z	Relative Intensity
52.69770	0.6
53.03965	3.6
55.01881	1.8
55.05518	6.1
55.92179	0.7
57.03155	1.0
57.03442	18.7
57.62918	0.6
61.44621	0.6
67.05514	10.2
69.03436	1.8
69.07078	1.9
79.05505	12.8
81.03426	100.0
81.07065	12.5
83.04983	4.7
83.08626	15.1
91.05491	16.4
93.07049	8.3
94.21864	0.6
95.04977	18.0
95.08594	4.0
97.02903	3.1
97.06519	0.8
97.10183	1.8
98.98479	1.3
105.07043	12.8
105.07700	1.3
107.04957	4.2
107.08585	3.3
109.06526	2.4
109.10169	1.8
111.04458	1.9
111.08096	7.6
115.05453	1.4
117.07056	1.1
119.08589	10.1
121.06507	1.3
121.10150	4.2
123.08040	1.0
123.11806	0.7
129.07027	7.2
131.08589	7.4
133.06520	2.7
133.10167	2.7
137.09619	1.2
142.07799	2.2
145.10117	0.9
147.08063	2.8
147.11714	7.2
149.09674	4.2
151.11188	0.7
157.10141	10.3
163.11304	0.9
165.12839	1.5
172.39592	0.6
175.11206	9.7
193.12260	21.4
194.85547	0.7
211.13316	3.2
238.31773	0.8
249.14877	1.8
267.15939	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.01628	0.7
50.76867	0.5
51.30777	0.6
53.03946	3.2
55.01876	2.9
55.05514	6.8
57.03440	20.3
61.37918	0.6
65.03935	1.3
67.05511	14.0
69.03436	3.2
69.07072	4.0
70.06586	0.8
71.05003	3.1
71.52488	0.9
71.57637	0.7
72.08157	1.5
77.03481	0.7
79.05499	15.6
81.03422	100.0
81.07059	15.7
83.04982	6.3
83.08626	14.7
84.08144	1.3
85.02898	1.3
85.06541	1.2
91.05484	21.5
93.07048	12.2
95.04971	23.2
95.08606	9.4
96.05309	0.7
97.02905	2.9
97.06543	2.7
97.10165	1.2
98.06075	0.8
98.97572	1.0
99.08126	0.8
105.03392	2.7
105.07038	20.2
107.04967	5.8
107.08614	7.4
109.02859	1.2
109.06540	5.4
109.10155	3.4
111.04432	1.1
111.08085	7.3
115.05470	1.7
117.07018	2.2
119.04991	1.0
119.08591	17.2
121.02847	0.8
121.06510	3.5
121.10144	6.9
123.08066	2.7
123.11697	1.7
125.05992	0.7
125.09653	0.8
128.06242	1.3
129.07016	9.1
131.08578	9.4
133.06490	3.0
133.10133	6.4
135.08018	2.2
135.11685	1.5
137.05959	0.9
137.09671	2.0
142.07794	2.1
143.08609	0.8
145.06479	1.4
145.10112	3.0
147.08020	3.9
147.11705	8.0
149.02315	1.1
149.09660	4.6
151.11191	1.1
157.10118	10.6
159.11722	2.8
161.09653	0.8
161.13260	1.9
163.07550	1.8
163.11177	2.3
165.12721	3.2
167.03377	0.8
173.13226	0.9
175.11182	10.8
179.10635	0.7
185.13249	1.0
191.08595	2.2
191.10527	1.0
193.12256	20.4
196.16969	1.8
197.10107	3.9
199.11557	0.7
201.12753	0.9
203.14134	1.1
205.12250	1.2
209.11766	1.1
211.13280	3.0
219.08063	1.7
219.13887	1.7
223.13246	0.9
231.13760	1.8
249.14862	3.4
249.18407	0.7
251.10641	2.2
267.04770	1.2
267.06503	1.3
267.10092	2.0
267.15903	72.4
267.24191	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1231
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
53.03933	1.2
55.01871	0.8
55.05500	0.9
57.03438	0.9
58.06606	0.8
67.05500	1.8
69.03439	3.3
69.07047	0.5
69.65014	1.3
69.65433	2.3
71.84830	0.6
71.96032	0.6
77.03924	0.7
79.05507	3.6
81.03420	1.6
81.07059	2.3
83.04987	0.7
84.57653	0.6
85.02911	1.5
86.24135	0.6
91.05495	8.9
93.07047	1.8
95.04964	1.2
95.08615	1.4
97.06577	0.8
99.49146	0.7
105.03400	6.2
105.07058	2.8
106.06572	8.4
107.04952	1.6
107.08601	1.4
109.02892	1.8
109.06523	0.8
109.10162	1.2
115.03964	3.3
115.05472	2.0
116.04992	4.9
116.06260	1.3
117.03447	0.5
117.07025	2.4
119.04982	0.9
120.32063	0.6
121.10168	0.6
123.04465	1.0
124.03946	1.5
127.03954	0.9
128.06250	4.0
129.07025	8.4
131.04980	1.1
131.08577	7.9
133.06494	1.5
133.10182	1.5
134.06035	100.0
137.05956	0.7
141.07010	3.0
142.07822	1.6
143.04976	0.8
143.08582	1.9
144.05748	3.6
145.02881	1.4
145.06512	2.6
146.03227	1.5
146.07336	1.0
147.04440	0.8
149.06155	0.6
153.05489	0.9
153.07019	0.9
155.06068	1.0
156.05719	0.9
157.06509	4.3
158.07263	1.1
159.08072	13.8
159.11778	0.6
161.06056	1.4
161.09671	3.7
167.07121	0.8
169.06435	1.3
169.07693	2.3
170.07295	2.0
171.08092	2.8
172.05229	1.4
173.06007	2.2
174.06770	1.3
175.07634	1.1
177.05505	2.1
178.05811	3.7
186.06718	0.7
187.07552	9.4
188.08321	0.9
189.05551	1.8
189.09134	3.8
191.06993	1.0
198.06798	0.9
199.07541	1.4
203.07024	1.5
204.07860	5.1
205.08669	0.8
216.07854	1.5
217.08838	0.8
218.06995	0.9
219.10205	3.8
221.11832	1.8
231.10245	3.4
237.11243	1.8
249.11266	62.8
267.06903	1.2
267.09866	4.1
267.16016	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0865
Annotation	Dihydrocitrinone
Peak:m/z	Relative Intensity
53.39814	0.6
55.01882	3.2
55.05507	0.9
56.05028	1.1
57.03440	1.2
57.07063	0.8
58.06614	4.8
61.02938	6.6
67.05496	2.1
68.99804	1.9
69.03419	2.4
69.07065	1.1
70.06586	2.0
71.01367	1.1
71.08640	0.9
71.52294	1.2
72.08130	0.9
72.93789	0.6
73.02918	0.9
74.06086	8.1
77.19570	0.6
79.05487	2.5
81.03417	2.9
81.07056	2.0
84.04526	0.9
84.08140	1.3
85.02917	4.4
87.08115	2.5
91.05492	5.1
93.03428	0.8
93.07052	3.0
95.04978	2.5
95.08588	1.5
97.02916	7.7
97.06536	0.8
98.97585	1.0
99.04460	0.8
102.45936	0.6
103.03933	1.6
103.05473	2.0
105.03383	1.4
105.07045	2.1
107.04956	2.7
108.05743	0.7
109.02879	2.7
109.06532	1.9
111.04453	1.2
115.05421	0.8
118.04134	0.7
119.04951	2.3
120.04504	1.7
120.08125	4.4
121.02843	1.5
121.06499	5.6
122.06931	1.4
123.04434	6.2
123.08096	1.0
124.03953	1.2
125.05987	1.1
127.03930	3.0
131.04933	1.0
132.37737	0.6
133.06482	3.7
134.03638	2.5
135.04440	2.3
136.05173	1.1
137.05989	12.9
139.03912	1.4
141.05486	2.8
144.95886	1.0
145.02840	1.0
147.04424	2.4
147.08040	1.1
149.05984	3.1
151.03925	1.6
151.07562	16.5
153.05478	36.9
160.05238	0.8
160.07570	2.1
161.06009	6.8
162.03160	7.8
162.05421	1.5
163.03928	5.1
163.07545	1.0
163.09686	0.7
164.04680	1.9
165.05492	8.9
166.08630	3.4
167.03401	0.8
171.04480	1.3
175.07611	1.4
176.04910	0.8
177.05489	100.0
179.03471	1.3
179.07060	23.9
180.02974	0.7
181.04965	1.7
183.01933	0.7
189.05498	3.8
190.04962	1.8
190.06412	0.8
191.07062	2.9
192.04218	3.4
193.05045	1.7
203.07074	9.4
203.08865	0.7
204.22922	0.8
205.04993	10.7
206.11737	2.0
207.06544	35.1
208.06125	0.9
219.06593	5.8
221.08115	1.8
221.12938	1.0
231.06567	10.8
234.13728	1.1
237.07634	5.4
249.07607	10.0
266.99545	3.0
267.08691	18.8
267.13626	5.7
268.15375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.2482
Annotation	Lepadiformine B
Peak:m/z	Relative Intensity
53.03957	2.7
55.01878	1.5
55.05273	0.4
55.05520	6.1
56.05037	0.3
57.07083	14.0
58.06600	0.5
67.05181	0.4
67.05512	6.0
69.07076	11.9
69.32361	2.8
70.06587	0.8
71.08632	0.8
72.04505	1.0
72.08155	0.9
74.09732	1.8
78.60319	0.3
79.05483	2.3
81.03429	9.3
81.07071	7.3
82.06594	0.4
82.80421	0.3
83.04993	1.0
83.08630	3.3
84.04500	1.3
84.08134	0.4
85.10197	0.3
86.06063	0.6
91.05475	0.9
93.07043	1.4
95.04975	3.5
95.08616	8.1
97.06530	0.8
97.10180	1.9
98.06055	4.0
98.13332	0.3
105.07039	1.3
107.08597	1.0
109.06534	1.2
109.10155	3.0
111.08034	0.4
111.11729	1.2
112.07597	1.3
119.08568	0.8
121.10084	0.4
123.08070	0.8
123.11732	0.6
126.09161	1.1
128.10767	0.4
128.14301	0.3
133.10162	0.8
136.11319	0.3
137.09636	0.6
140.10657	0.4
142.15923	0.5
145.08444	0.4
148.69931	0.3
151.14842	0.4
154.12305	1.4
168.13824	0.6
175.14868	0.7
182.15404	0.5
193.15846	1.6
198.22139	0.3
210.18564	3.1
266.24811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.2483
Annotation	Lepadiformine B
Peak:m/z	Relative Intensity
53.03954	0.7
55.01866	1.1
55.05519	11.7
56.05040	0.7
56.05851	0.4
57.07083	19.5
58.06592	0.7
67.05190	0.6
67.05518	10.0
69.03434	5.6
69.07076	18.7
70.06588	1.9
70.32467	1.7
71.08641	6.0
72.04514	1.7
72.08150	1.7
73.01847	0.4
74.09733	2.6
77.43619	0.4
79.05500	2.2
80.05833	0.8
81.03407	1.2
81.07065	16.8
82.07401	2.3
83.08158	0.5
83.08628	9.3
83.09119	0.7
84.04524	4.0
84.08165	0.6
85.10183	0.9
86.06059	1.3
88.11263	1.8
88.61247	0.4
91.05482	1.6
93.07032	2.0
95.04970	1.4
95.08615	13.8
97.10187	8.8
98.06070	8.2
99.06843	3.2
100.07587	0.6
105.06989	1.0
107.08616	1.4
108.08879	0.6
108.40095	0.4
109.06485	0.9
109.10164	7.7
111.08069	0.6
111.11740	4.1
112.07626	5.0
114.09179	1.6
115.37289	0.4
119.08568	0.8
121.10145	1.0
123.08099	0.6
123.11720	2.6
124.12064	2.0
125.09673	1.2
126.09151	0.9
126.10006	0.7
126.12817	0.7
130.12285	0.8
135.11697	0.5
137.13255	2.6
140.10724	2.4
142.12305	1.0
148.12030	0.5
151.14833	1.1
154.12265	1.3
155.13014	1.4
156.13850	0.6
165.16443	0.6
168.13849	1.7
175.14894	1.1
182.15535	0.5
193.15999	0.8
196.16983	0.8
210.18523	2.4
248.19809	1.2
266.24811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80896	0.4
53.03947	0.9
55.05516	1.1
56.10614	0.4
56.96570	1.6
57.07076	1.0
57.28047	0.4
65.00624	0.4
67.05515	3.3
69.03441	0.6
69.07070	8.1
69.21183	3.2
69.21597	0.8
70.06606	0.5
72.01465	0.4
79.05502	6.3
81.03431	0.9
81.07063	79.9
82.06599	0.4
84.08150	44.0
91.05527	0.4
93.07086	0.7
95.04974	0.7
95.08615	15.4
97.06544	0.9
98.20789	0.9
100.90278	0.4
105.03397	2.5
108.08099	0.6
109.02919	0.8
109.10160	1.3
111.58488	0.4
113.56234	0.4
119.08549	0.4
128.07071	2.4
130.08649	100.0
131.09038	0.5
137.13246	5.6
150.12708	0.5
163.03955	0.5
178.07840	1.2
185.70248	0.5
189.06880	0.6
190.07834	1.1
191.08569	13.4
193.10176	1.2
202.07727	1.0
203.08516	1.4
204.89723	0.4
215.07034	0.6
219.08075	10.0
219.10153	0.8
221.09756	0.6
229.07625	1.1
245.05692	0.6
249.09140	38.4
254.06218	0.7
259.09683	0.8
266.09158	0.6
266.11719	2.8
266.21091	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	266.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01865	1.1
55.05511	6.8
65.03944	1.2
67.05511	40.7
68.20348	0.5
69.03423	1.8
69.06730	0.8
69.07073	7.8
70.32185	1.7
71.04014	0.6
71.07364	1.2
72.08163	22.9
75.93233	0.6
79.05501	32.8
79.22530	0.6
81.03415	0.7
81.07066	43.3
83.04990	0.9
83.08609	3.5
91.05497	10.1
93.07056	33.0
95.04961	2.1
95.08058	0.9
95.08617	9.8
97.06509	0.8
98.80759	0.6
104.20189	0.6
105.04550	1.3
105.07027	3.9
107.04972	1.4
107.08607	29.8
109.06519	2.8
109.10169	6.4
117.07025	3.9
119.06067	0.9
119.08569	2.1
121.10161	7.6
123.08054	1.1
131.08548	2.2
133.10129	1.5
135.08095	0.8
135.11684	2.3
139.09966	1.5
147.11708	1.0
149.13275	12.4
159.11726	2.1
159.79369	0.6
177.12686	3.2
248.20126	100.0
266.21063	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	266.2117
Annotation	Deacetylfawcettiine
Peak:m/z	Relative Intensity
52.67595	0.4
53.03935	1.2
55.01882	0.6
55.05519	5.2
57.07070	0.4
65.03944	1.1
67.05511	31.5
69.03435	2.9
69.07072	7.0
71.07374	1.1
71.17329	1.1
72.08163	19.2
75.07742	0.5
79.05502	29.6
81.07067	37.0
83.04990	1.2
83.08633	2.8
83.74519	0.4
91.04975	0.7
91.05491	8.7
93.07054	32.9
95.04993	3.2
95.08615	9.9
95.42676	0.4
97.06534	0.6
98.06069	0.6
105.04533	0.5
105.07042	4.0
107.04974	1.5
107.08605	31.2
109.06536	2.4
109.10168	5.0
117.07030	3.9
119.06129	0.6
119.08622	3.0
121.06501	0.8
121.10155	6.8
123.08083	0.8
131.08595	2.4
133.10156	2.5
135.08055	1.3
135.11742	2.4
139.09955	1.9
149.13278	12.9
159.11746	2.7
177.12762	4.9
248.20120	100.0
249.20590	0.6
266.21225	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	266.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00193	0.3
56.96564	0.4
57.03451	0.4
58.06615	0.7
60.08170	5.6
61.02926	1.4
69.03432	1.9
70.01154	1.2
70.01561	0.6
71.05000	0.5
73.02927	2.5
81.03425	0.7
85.02906	3.8
87.04465	1.9
88.82482	0.3
91.03965	0.7
92.04635	0.3
97.02920	1.7
98.06107	0.4
98.97598	2.4
99.04465	1.4
101.00896	0.5
101.02408	0.6
103.00632	1.1
104.10752	100.0
109.02958	0.6
109.14521	0.3
110.97653	0.4
112.89615	2.8
114.89425	0.4
116.07062	0.4
116.98601	0.4
119.01891	0.5
120.02026	0.5
121.01692	1.3
127.03928	1.6
128.98561	0.5
133.01691	0.6
140.02309	0.5
143.00197	0.4
143.01936	0.4
145.01685	1.0
145.04996	0.5
146.02060	1.0
148.28641	0.4
158.99619	0.8
161.01234	0.4
161.02930	0.4
162.03120	0.7
163.02704	2.5
164.03094	2.7
165.00752	0.4
167.03453	0.4
170.99686	0.3
172.30174	0.3
175.02789	0.6
176.03368	1.3
185.03886	2.4
191.03845	0.8
191.98291	2.4
194.04346	0.5
200.04539	0.6
201.00697	0.4
206.04167	1.1
207.01843	1.0
210.00290	0.3
219.01843	0.4
230.10056	0.4
248.11211	0.9
249.02806	0.7
266.06409	1.5
266.16010	79.4
286.17148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39527	2.7
55.01870	5.4
55.05505	8.2
56.05846	3.1
57.07062	3.4
65.03921	5.8
67.05511	19.4
68.05830	6.7
69.03443	21.4
69.07060	3.4
69.75870	10.0
69.76297	8.7
70.03753	10.3
70.06583	2.8
71.04996	6.6
79.05490	13.4
80.05801	4.2
81.07061	14.6
82.07387	7.5
83.04964	5.8
84.08132	7.9
85.02879	2.9
86.09721	16.3
87.16959	2.8
91.05475	25.4
92.05820	18.9
93.03408	3.6
93.07048	14.9
94.07386	17.8
95.04977	27.3
95.08623	14.9
96.05305	12.4
96.08921	11.1
97.02879	4.6
97.06525	4.2
98.06831	3.6
99.04428	4.1
100.04765	3.5
105.07054	29.6
106.07368	37.6
107.08587	7.6
108.08933	11.2
109.05144	3.0
109.06505	13.6
109.10201	3.9
109.12628	2.7
110.06837	14.2
111.04430	17.0
111.08112	6.2
112.04774	10.8
112.08423	3.3
113.06004	10.3
114.06341	5.5
117.07034	3.2
118.07359	11.9
119.08587	38.6
120.08134	5.2
120.08911	55.4
121.02846	6.9
121.06512	24.9
121.10146	7.9
122.03169	6.6
122.06833	22.2
122.10483	6.9
123.08050	8.3
123.43890	2.8
124.08407	11.0
125.06062	3.4
129.06566	3.0
129.06920	2.5
129.10246	8.4
130.07353	9.8
131.08623	15.4
132.08936	22.5
133.05057	4.1
133.10149	6.0
134.06842	3.9
134.10538	6.9
135.08083	38.4
136.06155	9.3
136.08403	49.6
137.09612	8.3
138.09950	10.5
138.47873	2.9
139.03860	7.4
139.07582	3.3
140.07863	5.4
141.07042	4.8
142.07500	4.6
143.08337	5.2
144.08926	11.0
145.09964	9.2
146.06851	9.9
146.10480	24.1
147.04333	4.2
147.08128	16.7
147.11732	4.9
148.08389	28.8
148.12036	11.0
150.05469	4.0
150.07765	100.0
150.09969	10.1
151.07542	3.8
154.07419	4.2
156.08966	8.5
157.09798	6.6
158.07166	7.2
158.10492	19.0
159.07707	19.5
159.11586	11.2
160.08417	28.3
160.12056	29.8
161.09541	11.3
162.09966	28.7
164.11436	3.5
165.09132	11.0
166.09460	23.8
168.06564	6.1
169.09688	7.2
170.10464	6.3
171.11476	3.6
172.08522	6.0
172.12003	9.9
173.09195	17.5
174.10039	14.1
174.13638	20.1
175.07578	23.6
175.11150	10.0
176.07903	48.7
176.11546	34.5
178.09448	3.7
184.12076	11.4
186.09988	7.5
187.11089	9.7
188.11545	35.9
190.09421	8.4
190.13075	9.1
193.08557	4.6
194.08954	16.2
194.10452	3.7
197.09174	6.0
200.11537	14.0
202.13130	35.9
203.10713	8.1
204.11055	45.3
206.12537	4.5
207.68005	3.2
212.11531	18.5
217.12283	3.3
218.12592	28.4
220.14131	10.0
230.12569	31.5
230.77687	3.0
236.13649	9.0
248.13229	50.4
248.15616	7.1
266.14548	65.8
266.16229	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	266.139
Annotation	3097B2
Peak:m/z	Relative Intensity
53.03963	0.7
55.01866	0.5
56.05040	1.3
56.96562	0.7
57.03444	0.6
57.07081	0.6
58.06605	100.0
60.04531	1.0
63.63722	0.4
67.05511	0.5
68.99816	0.4
69.03434	4.0
70.06596	1.4
71.05010	0.4
71.08613	0.3
71.43216	0.9
71.99213	0.3
72.08160	1.1
73.02936	0.7
74.06081	0.8
80.05025	0.7
81.03429	2.2
81.07072	0.4
82.06581	0.6
84.04512	0.9
84.08152	1.5
85.02916	5.1
85.06532	0.4
86.09713	0.7
87.00838	2.1
88.03988	0.5
91.05508	0.9
93.07055	0.7
94.07376	0.6
95.05013	0.6
97.02904	3.5
98.06060	0.8
99.04438	0.7
104.10746	0.4
105.01888	2.0
105.07034	0.6
106.07354	0.6
108.04488	5.8
108.05159	0.5
109.02891	2.5
110.97571	0.4
113.05988	0.5
118.07294	0.4
119.08602	0.8
120.08125	0.9
120.08924	0.9
121.06544	1.6
122.07092	0.5
123.04435	0.4
126.05544	3.0
127.03943	3.6
128.01292	0.4
129.10265	0.9
131.08577	0.5
132.08804	0.5
135.08133	0.4
136.07552	0.5
136.08466	0.7
140.03458	0.6
144.06586	0.5
144.08907	0.5
145.05014	1.6
147.06856	0.4
147.08008	0.6
148.07532	0.6
159.02965	0.5
160.12167	0.5
163.03944	1.1
173.09183	0.5
175.07538	0.5
176.07916	1.1
176.10634	2.6
177.05588	0.7
177.09116	2.1
188.11472	0.5
189.11494	0.6
192.10294	0.8
192.12120	1.4
202.08574	0.4
202.13072	0.6
204.10123	3.6
206.11778	0.8
218.12631	0.4
220.09805	0.8
220.13391	1.5
223.09738	0.7
230.06657	1.2
230.12346	0.5
231.04997	0.7
246.88371	0.4
248.09503	0.6
248.12981	2.1
266.13910	46.5
267.01678	0.9
285.02747	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	266.1389
Annotation	Alachlor OA
Peak:m/z	Relative Intensity
53.18420	0.3
56.05042	0.8
58.06603	100.0
69.03433	0.9
70.06597	0.8
70.64994	0.4
70.65347	0.6
72.08165	0.5
73.13886	0.3
74.06050	0.4
81.03400	0.4
84.08132	0.3
85.02921	0.8
86.09766	0.4
93.07056	0.5
97.02891	0.8
98.97614	0.4
105.07036	0.4
106.07373	0.3
109.02905	0.4
109.06548	0.3
119.08588	0.7
120.08102	0.6
120.08908	0.4
121.06514	0.6
122.06927	0.3
127.03928	0.6
129.10222	0.3
136.08440	0.4
146.55827	0.3
162.10063	0.4
163.03995	0.3
175.07617	0.4
176.07877	0.3
176.10751	1.2
177.05560	0.4
177.09073	1.5
189.11536	0.4
192.10361	0.4
192.12166	0.6
202.08783	0.4
204.10193	1.8
207.12584	0.4
220.13405	1.0
223.09651	1.2
246.31398	0.3
248.09401	0.6
248.12965	0.6
266.13895	43.8
267.01743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1389
Annotation	Salinosporamide D
Peak:m/z	Relative Intensity
53.03940	0.5
56.05030	0.5
57.07068	0.4
58.40097	0.3
64.44077	0.3
67.05503	1.7
69.03442	0.6
70.06582	1.2
71.04980	0.9
71.52155	0.4
72.08134	0.5
79.05486	0.9
81.03413	1.4
81.07027	0.6
84.08119	0.7
86.09684	0.8
93.05798	0.4
94.06022	0.6
94.06577	6.6
95.04996	1.0
95.07393	0.5
98.97584	0.5
99.71251	0.3
102.00807	0.4
103.97144	0.3
106.06548	1.1
106.99807	0.4
109.02881	1.3
110.06051	1.4
110.07230	0.4
119.63697	0.4
120.08109	0.5
122.06036	8.3
123.06824	14.0
134.06006	2.2
136.06242	0.6
136.07549	0.6
138.05518	31.5
140.07045	1.3
147.04405	0.5
150.05521	29.8
150.07739	1.1
151.06305	17.2
151.07300	0.3
151.07562	0.4
152.07095	2.7
153.07855	0.7
160.07585	1.2
162.07762	0.6
164.07082	1.1
168.06578	100.0
169.07365	2.8
173.08400	0.5
176.07065	0.4
177.05507	0.7
177.07872	0.6
178.04987	0.7
193.03012	0.4
196.19374	0.3
202.12321	1.3
220.13316	5.1
230.11772	1.8
248.09183	0.9
248.12892	7.6
266.13907	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.139
Annotation	Alachlor OA
Peak:m/z	Relative Intensity
50.85711	0.3
55.05502	1.3
57.05805	0.3
58.24850	0.3
67.05495	0.8
70.06612	1.7
70.51602	1.1
72.08164	8.0
73.02892	0.4
73.08501	2.3
79.05490	0.4
81.07053	0.8
82.06582	0.4
84.04507	0.8
84.08135	1.1
85.02925	0.3
86.09718	1.8
94.06584	2.8
95.04939	0.4
106.06549	0.8
106.07294	0.3
108.04453	1.0
109.02877	0.4
109.05141	0.4
110.07166	0.9
120.08119	0.5
121.08402	0.7
121.29433	0.3
122.06041	3.8
123.06799	0.8
124.07626	2.3
129.10251	0.5
130.06502	0.4
132.08110	0.4
133.05084	0.4
134.06020	2.5
136.06180	1.7
136.07576	0.4
138.05525	2.4
140.07082	0.9
147.04417	0.7
147.06819	0.4
148.07550	0.9
150.05533	18.4
150.07755	17.0
150.08806	0.4
151.06281	0.8
152.07074	3.7
153.07823	1.5
160.07539	0.6
162.07825	0.7
164.07089	0.5
166.08646	0.6
167.09050	0.7
168.06583	26.6
174.09184	0.8
176.07074	1.5
178.12204	0.4
185.05928	0.3
187.09898	0.8
188.10735	1.1
190.08609	1.4
191.09410	1.3
194.00380	0.6
197.08427	0.4
199.82056	0.3
202.12352	2.5
203.10684	0.8
204.10121	0.4
205.11003	3.6
209.02678	1.3
214.08684	0.4
220.13329	5.2
222.93141	0.3
230.11755	1.5
248.12776	4.0
248.15121	4.2
266.13864	100.0
266.16196	8.5
267.14301	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.4
60.04531	0.3
63.02394	0.3
63.33589	0.2
68.05235	0.3
69.03435	0.6
69.46252	0.2
70.03773	1.2
70.06592	0.4
72.08161	8.3
77.32087	0.3
81.03427	0.8
81.07086	0.3
84.04527	0.3
84.38052	0.2
85.02897	0.8
87.00838	0.4
89.03914	3.2
90.09216	0.8
91.05489	0.5
93.07071	0.4
98.06075	0.4
98.21411	0.4
102.46378	0.2
105.01891	0.4
106.04189	0.4
107.04971	0.3
107.08602	0.3
108.04473	0.8
109.02885	3.0
117.03388	17.7
120.08118	0.5
121.10205	0.2
126.05538	1.0
127.03945	0.5
130.04993	0.3
134.03648	1.0
134.06091	0.3
135.04459	0.6
145.02852	51.4
149.04797	0.4
149.05983	6.6
162.03246	0.3
163.03879	0.4
177.05475	100.0
178.05829	0.4
183.74147	0.3
186.05495	0.7
189.06995	2.3
192.08887	0.5
195.07579	0.4
217.06480	3.8
220.10085	0.3
223.07082	0.4
238.09407	0.5
248.09285	1.4
249.09094	1.1
249.11423	0.5
251.07018	0.6
266.08951	2.0
266.11624	0.2
266.13998	1.9
266.16476	0.4
266.21390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
62.62340	0.4
66.06302	0.4
67.05492	0.4
70.06593	3.9
71.52575	0.5
72.08142	0.9
76.50947	0.4
79.05503	1.1
81.03424	16.7
81.07060	0.9
84.04472	0.3
86.06087	3.0
86.09733	0.4
87.04483	2.6
89.03924	4.3
91.05513	0.4
104.07112	12.9
104.10745	0.4
105.07041	0.7
107.04960	1.9
109.02888	64.9
112.07639	2.0
117.03388	8.9
119.04961	0.6
135.04428	17.3
140.03368	0.4
140.07054	0.7
145.02855	16.0
145.04007	0.8
147.04434	1.2
149.05948	0.6
161.05977	1.3
163.03917	100.0
165.05350	0.4
177.05478	5.2
178.05844	0.5
220.09779	2.2
223.07304	0.4
224.09129	0.4
238.09393	0.5
266.10342	9.3
266.13739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1178
Annotation	(-)-Annonaine
Peak:m/z	Relative Intensity
63.30617	0.2
65.64965	0.2
67.21700	0.2
69.22334	0.8
69.22762	0.7
100.65009	0.2
109.02890	0.7
141.91463	0.2
165.06966	0.4
178.07793	2.4
179.08566	0.5
180.60957	0.2
189.06966	1.3
190.07793	3.7
191.08568	33.2
193.10147	2.0
201.06926	0.9
202.07776	1.7
203.08598	3.6
205.06448	0.6
206.07176	0.3
207.08037	0.2
218.07265	0.4
219.08069	24.1
220.08543	0.2
221.06143	0.2
221.09622	1.3
222.06808	0.3
229.07654	2.6
231.08057	1.0
232.08870	0.4
242.09592	0.2
247.07724	0.3
248.08328	0.2
249.09126	100.0
250.09532	0.4
266.09241	0.4
266.11768	8.3
281.66489	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04262	0.9
60.04536	11.0
65.03940	0.8
69.78979	3.8
70.02960	5.3
73.88165	0.6
82.42534	0.6
83.04990	0.7
88.03426	0.7
88.04002	55.2
91.05492	82.4
98.20780	0.8
99.60960	0.7
102.05555	100.0
127.17746	0.7
130.05032	2.1
146.06021	2.1
148.06062	64.5
206.08063	3.5
220.09718	9.4
234.07677	2.7
248.09242	2.3
266.10226	2.4
282.70938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
56.05039	1.9
63.53886	0.4
65.03963	0.9
70.06626	0.6
70.62110	1.4
71.42332	0.4
71.94064	0.4
72.08169	0.6
81.03425	3.7
84.04514	74.2
85.02914	1.0
91.05492	71.4
91.90149	0.5
93.07060	0.5
102.04855	0.8
102.05555	26.4
109.02895	12.8
130.05019	100.0
136.06201	9.7
145.02925	1.2
148.06067	35.2
177.05472	3.0
220.09773	4.1
223.07248	1.1
234.13516	1.9
248.09181	1.7
251.06760	0.6
257.49728	0.4
266.10010	4.0
266.16211	5.9
266.20657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84127	0.3
53.79378	0.3
54.39088	0.3
56.22860	0.3
65.60658	0.3
67.05521	1.6
70.02956	0.8
71.52557	0.5
72.08160	0.8
77.80717	0.2
79.05505	1.5
81.03429	0.9
81.07065	1.6
84.08131	0.3
87.00826	2.6
91.05482	1.6
91.24498	0.3
93.07064	2.2
95.03278	0.3
95.04968	0.4
95.08598	0.7
96.74503	0.3
97.91188	0.3
98.97548	0.3
103.05484	5.3
105.07063	0.6
107.08611	0.8
109.02891	2.6
109.10125	0.6
110.10527	0.3
117.07005	0.4
118.06564	9.1
118.07318	0.5
119.49181	0.3
120.08121	100.0
121.06530	1.6
121.10190	0.5
128.04990	0.7
131.04933	0.4
135.08014	0.3
135.11751	0.3
145.06554	0.6
146.06024	14.8
151.03900	0.6
160.07578	0.3
163.07654	0.3
168.92264	0.3
171.08299	0.3
178.08708	0.4
180.10207	2.6
181.84904	0.3
188.07091	17.1
206.08150	77.3
216.06622	0.8
223.07269	0.4
230.12596	0.3
234.07681	2.0
238.09369	0.4
248.09267	1.2
248.16510	0.4
248.20071	2.0
266.09378	1.6
266.16159	0.4
266.21234	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	266.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41330	0.5
53.78771	0.4
54.53334	0.5
56.05050	2.5
65.03962	0.8
67.05502	0.8
70.06582	0.9
70.62070	1.1
72.08167	0.8
79.05513	0.8
81.03437	2.9
81.07061	1.4
81.72169	0.5
84.04517	80.6
85.02911	2.0
91.05494	75.4
92.70629	0.5
95.04978	0.8
95.08621	1.5
98.06086	1.7
102.05560	27.2
105.03417	1.7
109.02890	12.3
112.07557	0.7
119.87122	0.5
123.11722	1.6
130.05022	100.0
133.06554	0.7
136.06203	2.3
145.02887	2.0
148.06068	35.5
163.03955	1.1
177.05545	3.5
187.78896	0.5
191.08127	0.7
192.08899	1.8
195.07710	2.0
196.06105	2.2
208.08443	0.7
210.09996	0.8
220.09975	3.8
220.13335	1.1
223.07181	2.9
238.09480	2.1
248.09192	1.6
251.06891	2.6
261.38199	0.6
266.09125	10.6
266.13937	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2164
Annotation	(E)-Nerolidol acetate
Peak:m/z	Relative Intensity
53.03942	1.5
55.05516	20.8
57.07072	3.3
58.06596	1.1
58.91677	0.6
60.08146	0.8
65.03947	1.1
67.05508	17.8
68.05857	0.9
69.03438	1.4
69.07062	5.9
69.42898	4.3
71.07366	1.9
72.08160	7.3
73.08492	2.2
76.80875	0.6
79.05499	25.4
80.05830	11.1
81.03429	0.8
81.07061	100.0
82.03709	0.6
82.07397	2.0
83.08618	1.1
87.04463	1.2
91.05491	7.4
92.05831	5.5
93.07030	4.6
94.07331	1.4
95.04968	1.3
95.08620	6.8
96.05288	1.1
97.10184	1.8
98.06046	1.4
98.21528	1.3
105.07054	5.5
106.07391	4.0
107.04990	1.0
107.08599	11.6
108.08935	9.0
109.06512	1.0
109.10164	0.9
119.08591	1.9
120.08876	1.5
121.10178	1.3
122.07169	3.7
123.11715	66.4
125.09639	34.0
133.10136	2.0
134.06831	0.8
134.10464	2.6
139.09959	1.7
140.10280	2.6
143.10677	4.5
144.04735	0.8
147.11705	4.6
148.12010	7.3
149.13298	1.5
150.13597	1.6
153.11052	0.9
173.06004	1.1
175.11157	1.0
176.11554	1.8
196.96672	2.6
205.08653	0.7
206.04494	1.0
223.97728	1.8
239.57558	0.7
241.98767	5.8
247.18890	21.7
265.00412	3.5
265.08768	0.8
265.11884	2.7
265.21658	26.9
266.24768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78595	0.1
56.96579	0.2
57.60134	0.1
82.99825	0.8
99.37910	0.2
101.00890	5.4
111.00387	0.2
116.34588	0.1
116.98806	0.2
119.01933	6.3
120.29951	0.1
122.97813	0.2
134.19572	0.1
134.99898	0.4
137.02930	0.7
140.98830	1.7
157.02055	0.1
158.99905	4.3
164.98660	0.2
165.99696	0.2
175.03050	0.4
177.00966	14.0
178.01102	0.2
182.99847	1.5
193.04099	0.2
199.03064	0.4
201.00928	3.8
201.02510	0.4
215.99754	0.1
217.04083	2.9
219.02022	19.7
219.94455	0.4
220.02199	0.7
221.02129	0.2
225.00858	2.6
227.99779	0.2
230.45244	0.1
234.00604	0.3
242.03711	0.2
242.96227	0.4
243.02016	14.4
260.04495	0.1
261.03079	100.0
262.03250	1.0
263.03482	0.5
266.03561	0.5
284.04700	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1549
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
50.42450	0.3
53.03936	0.4
55.05515	11.1
56.05033	0.8
57.03437	1.2
57.05819	0.9
61.02914	0.4
69.03439	4.1
70.06602	1.0
70.36621	0.4
70.36974	0.9
72.08160	100.0
76.03857	0.3
79.05520	0.6
81.03439	0.8
81.07080	0.5
83.79890	0.4
85.02921	2.7
86.09724	0.3
86.27469	0.3
87.04473	1.6
89.10817	0.8
89.78044	0.3
91.05500	0.7
93.07024	0.7
94.17273	0.3
95.04979	0.4
97.02905	2.7
99.04476	0.4
103.05502	0.5
105.07054	0.5
107.04975	0.6
107.08576	0.4
115.03951	2.7
115.08707	0.4
117.03399	3.7
119.08627	0.8
120.08116	11.4
121.02857	0.4
121.06534	0.5
122.07169	1.5
127.03946	0.8
129.10255	0.5
131.04956	0.4
131.08598	0.4
133.04982	2.2
135.04390	0.5
135.08167	0.5
140.31241	0.3
141.06946	0.3
145.02859	9.6
145.04912	0.4
149.05948	1.5
157.05011	0.6
159.08057	0.5
159.11807	0.3
166.08662	10.3
177.05482	19.1
181.04817	0.4
203.10794	0.4
219.15154	0.9
229.07198	1.0
248.12920	1.3
265.15509	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	265.1551
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
52.29015	0.5
55.05423	3.1
56.61514	0.5
65.03893	0.6
67.05434	1.6
67.05762	0.8
69.03341	2.5
70.06528	0.7
70.89278	1.1
70.89635	1.2
71.04944	0.8
72.08072	47.0
79.05413	2.0
81.06982	1.2
89.03839	2.3
89.10801	5.0
91.05476	3.7
93.03336	0.7
93.07053	2.8
95.04893	4.1
95.08534	2.1
97.06515	0.9
99.04404	0.8
105.07050	6.8
106.04874	0.7
107.04898	0.8
107.08533	1.9
109.06470	2.6
111.04385	1.8
111.07964	0.9
113.05916	1.1
115.05361	0.6
115.08627	1.6
115.91141	0.6
117.03392	14.7
117.06989	1.9
119.08592	7.5
120.08115	5.6
121.02857	0.7
121.06536	3.1
121.10109	1.4
122.07084	2.2
123.08015	1.3
129.07002	0.7
131.08601	4.2
133.06447	0.6
133.10144	1.2
134.03554	1.0
135.08057	6.1
137.09598	1.1
139.03908	1.3
143.08517	1.8
145.02866	51.3
145.06499	1.2
145.10133	2.9
147.08083	4.0
147.11716	0.9
149.06000	5.8
149.09662	0.9
151.07610	0.7
155.08527	1.1
157.10173	1.3
158.07301	1.4
159.08092	3.4
159.11714	3.6
160.08910	0.8
161.09645	2.8
165.09128	2.8
166.08691	6.2
169.10153	0.7
171.08073	0.7
172.08858	1.0
173.09613	0.9
173.13280	2.0
175.07549	5.2
175.11188	2.8
177.05492	100.0
183.11681	1.1
186.05511	0.7
187.11197	3.1
189.09146	0.9
189.12836	1.1
193.08630	3.0
193.10135	0.6
199.11273	1.0
201.12714	2.8
203.10684	3.2
211.11255	1.3
217.12354	2.1
229.12421	2.4
235.13210	0.6
247.13312	5.9
248.12863	9.0
265.11569	1.3
265.15619	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
52.23392	3.1
53.03950	4.8
54.12551	3.5
55.01881	4.4
55.05519	13.4
65.03946	8.9
67.05511	31.3
68.54702	3.1
69.03430	35.0
69.07078	6.4
69.82786	14.4
70.06591	11.0
71.04982	8.6
72.08164	8.3
73.69346	3.1
74.32314	3.2
79.05499	20.2
81.07063	16.0
83.04997	11.1
85.02914	7.0
87.04486	5.9
91.05493	49.3
93.03402	6.0
93.07066	44.2
95.04983	50.2
95.08633	21.2
97.02892	5.9
97.06561	7.8
99.04467	6.9
103.05492	7.1
105.07043	78.9
107.04954	5.0
107.08613	30.8
109.02889	5.7
109.06528	38.6
109.10171	7.4
111.04454	32.7
111.08083	9.5
113.06049	21.4
115.05435	8.1
116.06277	6.1
116.07118	6.1
117.07030	18.3
117.89115	3.3
119.04949	4.7
119.08598	96.2
120.08105	6.7
121.02909	17.9
121.06520	46.8
121.10148	17.0
122.07162	17.6
123.08097	27.0
125.06024	6.2
128.06259	8.5
129.06998	23.0
130.07851	6.1
131.08591	50.9
133.06511	11.1
133.10146	20.3
135.08067	100.0
137.09612	16.7
139.03932	10.3
139.07568	10.2
141.07019	8.7
142.07787	13.1
143.08578	17.7
144.09358	11.4
145.06502	17.5
145.10144	32.9
146.07231	4.6
147.08054	50.1
147.11697	15.7
149.09622	9.7
150.07840	4.0
151.07584	9.4
155.08589	6.6
156.09354	8.6
157.06485	8.6
157.10136	25.2
158.07333	23.6
159.08073	49.3
159.11710	46.4
160.08878	5.6
161.06042	4.6
161.09639	43.9
161.13297	4.9
163.07553	6.0
165.09129	40.0
168.09390	7.3
169.10159	4.8
171.08153	6.9
171.11714	11.7
172.08847	28.6
173.09674	26.4
173.13286	30.1
175.07578	97.0
175.11165	41.3
178.07846	4.2
181.10133	4.1
183.11708	16.8
184.08727	4.1
185.09604	11.6
186.10406	4.7
187.07500	4.0
187.11201	47.6
189.09108	17.1
189.12756	14.4
193.08656	29.1
193.10178	5.7
194.15457	5.1
196.08885	9.2
199.11241	18.1
201.12740	43.4
203.10712	61.8
205.08621	4.5
205.12318	8.2
206.74542	3.2
211.11147	22.7
217.12273	34.3
219.13863	13.1
229.12259	35.0
235.13278	10.9
247.13300	76.4
265.14545	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1438
Annotation	ABSCISIC ACID
Peak:m/z	Relative Intensity
53.03949	5.8
55.01878	3.5
55.05509	10.7
57.07063	7.9
63.83777	2.6
67.05519	13.3
69.03448	16.2
69.07080	3.3
70.40001	4.7
70.40372	5.3
70.89546	2.7
72.08163	7.5
79.05493	20.5
80.05842	3.6
81.03427	6.4
81.07064	10.0
83.04991	46.4
91.05494	22.6
92.05811	3.0
93.07060	27.2
95.04974	8.9
95.08627	7.4
97.02895	2.8
105.07027	24.8
106.07394	3.5
107.04990	5.4
107.08597	36.2
108.08932	3.4
109.02887	18.1
109.06514	14.9
109.10167	7.6
111.04465	22.5
111.08102	5.4
111.48669	2.6
113.06013	9.8
115.05479	5.2
117.07034	18.1
119.08580	22.0
121.02850	4.9
121.06522	41.3
121.10147	9.1
122.07160	26.1
123.08071	10.9
124.59692	2.6
125.05951	3.8
125.09584	3.7
128.06252	2.8
129.07054	6.4
131.08583	12.1
133.06483	2.9
133.10146	10.8
135.08072	74.7
135.11674	5.7
137.05992	7.0
137.09615	5.9
142.07765	3.9
143.08612	8.1
144.04767	5.9
144.09341	4.7
145.06476	25.2
145.10135	9.1
147.04451	3.2
147.08087	6.5
147.11784	3.3
148.11989	3.1
149.05989	8.7
149.09647	19.8
151.07520	3.6
153.09094	9.6
155.08568	3.7
157.06483	2.9
157.10187	4.4
158.10909	6.5
159.08031	9.9
159.11691	23.6
160.08853	3.2
161.05977	5.7
161.09630	8.7
163.07570	49.4
163.11232	10.4
165.05573	2.7
165.06967	3.1
165.09143	7.2
171.08124	3.8
172.08885	11.6
173.06059	22.1
173.09637	14.2
173.13284	28.0
175.07529	4.2
176.69078	2.8
177.12793	4.6
178.07780	3.1
183.11691	6.0
185.13351	3.9
186.10439	14.3
187.11197	55.4
190.06241	8.9
191.07036	17.1
191.08502	3.9
196.08864	3.7
201.12778	58.6
203.14365	3.5
205.06720	4.1
205.08623	15.3
205.10561	3.2
205.12225	19.7
207.08072	6.1
209.08119	6.7
211.11241	8.2
217.08620	7.2
219.08107	6.6
219.13820	19.5
222.06651	4.3
229.12253	63.9
235.07555	8.8
235.09644	3.2
237.09137	5.4
247.13324	100.0
247.18893	7.5
249.09233	6.8
250.06129	3.3
250.09988	4.8
265.08615	32.1
265.12006	11.1
265.14517	11.7
268.97202	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	265.1438
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03948	5.3
55.01886	4.7
55.05509	11.5
56.16851	3.4
65.03956	8.5
67.05508	32.2
69.03081	4.2
69.03438	42.5
69.07080	6.6
69.63536	20.2
71.05006	8.8
79.05499	21.0
81.07056	18.4
83.04979	10.1
85.06536	5.2
91.05493	48.3
93.03390	7.8
93.07048	45.5
95.04969	46.4
95.08614	20.3
97.02893	3.4
97.06551	8.1
99.04498	6.0
103.05486	6.0
105.07044	73.3
107.08575	20.7
109.06525	32.1
109.10162	7.1
111.04449	33.3
111.08092	10.2
113.06024	23.1
115.05450	3.6
116.06206	6.2
117.03400	6.8
117.07063	15.7
119.04914	4.1
119.08594	79.8
121.02884	12.4
121.06528	43.0
121.10121	18.0
123.04453	5.1
123.08074	25.9
125.06008	5.1
127.07452	3.4
128.06219	8.0
129.07004	12.4
130.07780	8.6
131.08595	47.2
133.06505	11.2
133.10141	23.7
135.08069	85.4
137.05994	3.5
137.09642	17.9
139.03932	7.4
139.07538	9.0
141.07013	9.8
142.07796	9.8
143.08588	20.5
144.05739	5.0
144.09346	12.1
145.02873	24.6
145.06519	11.7
145.10152	34.6
146.07275	5.7
147.08052	50.0
147.09117	5.7
147.11641	16.5
148.08910	3.6
149.05997	11.2
149.09631	11.6
151.07562	6.4
153.09067	5.1
155.08580	10.7
156.09355	6.3
157.10139	21.8
158.07288	29.3
158.10942	4.7
159.08086	50.8
159.11707	41.7
160.08864	6.1
161.09621	47.3
163.07486	3.4
165.09140	40.5
168.09383	9.3
169.10216	4.7
171.08089	8.6
171.11697	10.9
172.08855	24.9
173.09634	22.9
173.13264	23.4
175.07571	81.5
175.11185	40.9
177.05478	41.6
177.12712	3.4
179.07013	3.1
181.10069	3.5
183.11642	15.7
185.09587	8.3
186.10469	5.6
187.07582	3.4
187.11203	51.8
188.08261	3.7
189.09084	9.6
189.12766	12.7
193.08589	28.2
193.10130	6.3
196.08873	10.5
199.11165	20.7
201.12762	44.9
203.10669	54.0
205.12274	12.5
211.11194	30.5
217.12193	31.9
219.13840	13.2
229.12242	34.8
235.13329	12.4
247.13347	72.0
265.14331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03945	6.4
55.05506	14.3
57.03428	4.7
65.03940	12.2
67.05514	32.3
69.03436	38.7
69.68308	7.1
69.68717	10.1
71.05006	7.1
71.18872	3.0
79.05496	23.7
81.03386	2.8
81.07060	20.2
83.04993	7.9
85.02875	4.1
91.05490	41.0
93.03407	5.3
93.07059	38.7
95.04977	46.6
95.08623	21.1
97.02879	4.9
97.06543	5.7
99.04453	9.5
103.05466	5.3
105.07043	67.9
107.04935	4.1
107.08607	22.3
109.06518	35.0
109.10154	9.2
109.34342	3.1
111.04456	36.1
111.08110	14.7
113.06020	19.6
115.05471	6.1
116.06275	6.1
117.07040	16.6
119.08588	100.0
121.02877	17.8
121.06513	50.1
121.10140	17.1
122.07162	5.9
123.08076	26.1
128.06221	6.6
129.07030	17.1
130.07742	4.6
131.08585	49.1
133.06506	11.4
133.10161	22.7
135.08063	94.5
137.06035	3.9
137.09630	18.7
139.03909	8.9
139.07574	10.0
139.82367	3.1
141.06999	8.9
142.07799	11.1
143.08612	18.7
144.05695	3.8
144.09335	7.1
145.06496	13.9
145.10139	37.6
146.07283	7.2
147.08054	52.2
147.11697	12.6
149.05997	9.4
149.09627	10.2
151.07433	4.6
153.07063	3.9
155.08536	11.0
156.09351	9.6
157.06499	3.4
157.10120	21.8
158.07281	21.9
158.10941	4.8
159.08058	42.0
159.11719	49.6
160.08844	4.2
161.09624	45.4
161.13266	4.2
165.09122	39.8
168.09344	8.2
171.08043	6.1
171.11754	12.6
172.08844	25.7
173.09618	27.5
173.13277	25.3
175.07570	81.9
175.11176	41.6
183.11696	13.4
185.09659	9.0
186.10397	4.3
187.07561	6.4
187.11198	47.7
189.09134	12.5
189.12761	18.8
193.08624	27.6
193.10165	6.5
196.08905	8.8
199.11230	12.5
201.12799	43.5
201.63589	3.5
203.10678	58.7
205.12296	7.8
211.11203	23.9
217.12271	33.3
219.13939	15.4
229.12215	41.8
235.13339	11.7
247.13280	74.8
265.14362	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
65.03958	0.5
67.05495	1.2
69.07073	29.1
69.17927	0.4
70.08354	1.7
79.05491	0.9
81.07058	0.5
85.03909	0.4
87.08112	3.8
91.05486	7.0
93.17772	0.4
103.05453	1.1
105.07060	0.8
107.08604	0.7
117.07015	0.7
119.04949	23.0
122.07172	1.1
131.04916	1.4
137.05986	1.3
139.10938	0.4
145.06490	1.5
147.04420	100.0
159.04448	2.3
159.08051	0.8
165.07129	0.5
179.07056	8.7
181.49796	0.4
209.07762	0.6
209.09639	9.0
215.10689	5.0
223.11160	0.5
233.11731	9.3
247.13245	1.0
247.18958	0.5
265.08994	0.5
265.11884	0.8
265.15909	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	265.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
55.01870	2.1
55.05506	3.5
57.98087	1.2
58.06596	1.6
64.87287	1.3
67.05515	2.3
71.05003	2.2
71.52728	2.1
72.08154	3.8
79.05488	6.5
80.05822	3.0
81.03415	10.4
81.07057	2.9
82.04211	2.8
83.04985	1.5
85.06559	6.1
91.05490	7.6
93.07047	3.9
95.04948	2.1
95.08592	2.4
97.02886	1.4
105.07016	13.8
106.07355	2.9
107.04960	100.0
107.08600	3.6
108.08942	1.5
113.06008	25.5
115.05491	2.9
117.07014	2.3
119.04942	1.2
119.08566	3.0
122.07147	11.3
128.06230	2.6
129.06967	3.2
131.04936	47.0
131.08569	17.3
133.06541	4.3
133.10094	1.5
134.06882	1.4
135.04411	1.2
135.08057	32.2
141.07022	3.7
143.08530	2.5
144.04721	2.7
144.05733	5.2
145.06487	8.7
145.10124	2.3
147.08060	2.1
148.11914	1.6
157.06543	1.4
158.07280	5.2
159.08058	37.2
159.11710	3.4
164.16386	1.6
169.14142	1.7
171.08067	2.1
172.08884	1.5
173.06018	2.1
174.06787	2.9
177.09108	63.7
187.07558	37.6
187.11153	8.9
197.09645	2.0
200.08299	1.7
203.99423	1.3
205.08546	1.9
207.98668	1.3
215.10674	26.0
219.10205	3.5
223.97705	1.4
233.11734	32.8
241.96219	1.3
241.98775	3.2
247.18839	4.1
265.00366	1.7
265.08652	4.1
265.11700	3.2
265.16101	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23008	0.4
56.96545	0.5
57.87590	0.3
70.06577	1.3
70.39330	0.4
70.85048	1.1
79.05498	0.4
81.04546	0.5
88.43311	0.3
91.05473	0.4
96.70061	0.4
97.02928	0.6
98.97562	0.9
107.08575	0.5
110.97580	0.4
115.05441	0.5
120.08093	0.6
122.06025	2.5
122.07141	5.9
132.08098	0.7
135.08041	0.7
139.03876	0.5
144.04779	1.2
160.07591	11.4
161.04611	0.5
162.09148	13.5
176.07060	0.6
178.05014	0.6
191.11797	100.0
203.10672	0.4
219.11290	4.0
247.10809	4.2
265.11847	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
55.05502	2.0
67.05508	3.5
69.03450	3.4
69.07061	4.7
71.52657	2.8
72.08162	3.2
76.06738	1.5
79.05489	5.2
81.03411	4.6
81.07038	5.4
83.04988	2.2
91.05496	10.4
93.07040	6.4
95.04947	2.1
97.02866	2.5
99.04426	2.0
103.05467	7.1
105.07028	7.5
107.04965	3.8
107.08584	7.3
108.08993	2.4
109.02880	5.8
109.06562	2.0
115.05454	22.5
117.07026	43.1
119.08580	4.5
121.06508	2.8
121.10165	2.0
122.07172	5.1
127.05429	2.4
128.06262	2.9
129.07019	6.2
130.04120	2.5
130.26660	1.6
131.08574	4.4
132.05698	2.2
133.10153	3.1
135.08044	3.7
135.11713	2.1
143.04881	2.1
144.04771	2.7
144.05771	1.9
145.06494	79.3
147.04427	4.0
147.08060	4.7
147.11726	2.3
155.06053	13.0
156.05733	18.3
157.06482	4.3
159.08083	3.2
159.11684	2.2
160.05235	2.5
161.05969	2.6
166.07819	1.7
167.06985	1.9
173.05998	100.0
173.13173	1.7
175.03963	3.3
175.07611	3.1
177.05621	1.7
179.08481	1.9
184.05188	2.0
187.07594	5.2
190.06270	38.7
190.07974	2.4
191.07014	2.2
191.08528	3.2
194.07289	4.7
194.13539	1.7
201.12788	2.9
202.06285	4.7
203.07079	18.4
205.06569	7.4
205.08603	84.9
207.08076	3.6
209.09766	2.2
217.08629	60.9
219.08122	3.0
219.10162	2.5
221.05937	1.8
222.06842	10.1
233.05832	3.4
235.09676	8.9
237.09187	11.2
247.09860	2.0
247.13342	5.3
247.18896	4.0
250.06247	4.4
265.08630	41.8
265.12634	7.0
265.17929	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	264.1961
Annotation	Huperzine Q
Peak:m/z	Relative Intensity
50.54970	1.2
53.03935	3.5
55.05523	7.1
57.07068	4.1
58.06585	2.5
65.03934	1.8
67.05516	16.9
68.02652	1.4
69.03413	5.6
69.07041	3.6
69.79296	2.4
69.79709	3.8
70.06582	2.0
71.04987	1.4
71.07381	7.8
72.08160	34.4
74.09713	3.1
79.05501	100.0
81.03425	4.9
81.07068	26.1
83.04958	3.6
84.04516	1.5
85.05254	1.2
91.05490	47.5
93.07053	16.3
95.04980	36.1
95.08614	3.3
96.04489	2.5
97.06522	3.3
98.06073	6.9
98.20847	1.6
105.07043	57.5
107.04992	7.1
107.08607	58.9
109.06523	2.7
117.07010	4.0
119.04957	1.4
119.06037	1.9
119.08591	14.3
121.10149	7.4
123.07999	2.0
124.07641	1.5
126.09202	5.5
129.06995	4.9
131.08603	12.9
133.06496	9.3
133.10141	12.9
139.09933	14.5
142.07761	1.8
145.10143	11.0
147.08006	4.6
147.11705	46.7
149.09641	12.7
149.13284	7.6
152.10757	3.0
157.10165	1.6
163.11215	1.5
173.09572	1.9
175.11186	8.7
219.52960	1.1
222.18642	2.4
246.18576	62.7
264.19604	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.196
Annotation	Huperzine Q
Peak:m/z	Relative Intensity
52.85663	0.5
53.03945	0.9
53.89771	0.6
55.05515	6.3
56.02440	0.5
56.26817	0.5
57.48656	0.5
65.03931	0.8
67.05511	15.4
69.07083	2.6
70.06599	5.3
70.72485	1.1
70.72830	0.7
70.98814	0.5
71.07359	0.6
72.08165	28.3
79.05501	17.8
81.07069	17.5
90.09219	0.8
91.05492	28.1
93.06485	0.7
93.07061	11.0
95.04973	2.0
95.08617	0.6
98.06071	3.9
105.07043	38.8
106.07437	0.6
107.04967	0.6
107.08608	10.7
109.06501	0.8
117.07054	0.7
119.08604	11.4
119.78818	0.5
120.05724	0.8
121.02890	0.9
121.06510	0.6
121.10161	2.3
124.11268	0.5
131.08554	4.8
133.10158	1.8
139.09949	1.7
145.10149	1.9
147.11705	86.1
149.13278	12.1
157.10170	0.6
158.21849	0.6
159.84355	0.5
162.90051	0.5
163.77937	0.5
175.11201	4.4
203.14267	0.7
215.83878	0.5
219.17444	2.1
246.18565	100.0
250.01834	0.6
264.19620	13.8
276.61603	0.5
289.29956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1959
Annotation	Lycodoline
Peak:m/z	Relative Intensity
53.03936	1.9
55.01866	1.1
55.05511	9.3
65.03930	1.6
66.96109	0.7
67.05505	20.6
69.03421	2.1
69.07056	3.2
70.06587	4.9
70.33859	2.3
71.07383	4.6
72.08159	50.7
77.03913	1.1
79.05495	73.7
81.03417	3.0
81.07061	23.3
83.04975	1.4
90.09181	3.6
91.05482	49.6
93.07043	15.8
93.99043	0.9
94.34263	0.7
95.04974	8.5
95.08609	1.6
96.04487	1.7
97.06546	1.8
98.06072	4.9
105.04556	0.8
105.07033	49.0
107.04949	5.0
107.08597	45.2
107.31311	0.8
109.06520	1.9
110.06024	1.1
111.99928	1.2
115.05434	1.2
117.07003	1.3
119.06069	0.9
119.08581	17.5
120.05755	1.6
121.00473	1.8
121.10100	2.0
124.07621	1.0
126.09160	1.2
129.06944	2.2
131.08575	7.6
133.06493	3.8
133.10143	11.1
139.09940	8.9
140.10687	1.6
142.07872	1.2
145.10117	2.4
147.11691	91.5
149.13261	10.6
152.10684	1.1
157.10117	1.3
167.99684	1.5
175.11203	7.5
177.00224	0.8
180.09055	0.8
190.01056	1.3
219.17416	1.0
230.03427	1.5
246.18544	100.0
264.16760	0.8
264.19568	14.0
264.24350	2.3
265.91638	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.196
Annotation	Flabelliformine
Peak:m/z	Relative Intensity
51.02362	0.6
53.03949	4.8
55.01877	2.4
55.05518	12.5
56.05040	0.5
57.03436	1.5
58.06591	0.5
65.03943	2.2
67.05512	28.8
69.03439	6.6
69.07072	5.3
69.20676	4.7
70.06603	4.4
71.04995	1.2
71.07384	1.6
72.08163	55.8
77.03922	1.0
78.17493	0.5
79.05501	49.8
81.03429	11.0
81.07063	42.9
83.04984	6.7
83.08620	1.5
85.06571	0.5
91.05489	46.9
93.03394	0.4
93.07053	22.3
94.04245	0.5
95.04977	7.2
95.08614	7.4
96.04494	0.6
96.08161	0.6
97.06536	2.4
98.06059	2.7
99.04542	0.8
100.07616	0.7
101.83361	0.4
103.05481	1.7
105.07043	58.0
107.04967	3.7
107.08604	38.9
109.06529	4.5
109.10160	1.0
110.06057	0.7
111.04487	2.2
111.08119	0.7
114.09171	0.6
115.05468	1.2
117.07041	2.4
119.04970	1.0
119.06093	1.0
119.08593	24.1
121.06517	2.1
121.10142	3.8
123.04462	0.7
123.08104	1.2
123.11684	0.7
124.07615	0.6
126.09196	0.9
129.07016	4.7
131.08582	13.8
133.06509	7.6
133.10144	29.3
135.11732	0.5
137.05943	0.8
138.09242	0.9
139.09926	4.4
140.10689	1.0
142.07787	3.0
145.10143	2.1
147.08099	2.6
147.11700	63.2
149.13264	9.5
151.07570	0.9
152.10754	2.9
154.12245	1.7
157.10147	3.8
164.10634	0.7
165.12762	6.0
166.12302	1.8
167.29793	0.4
172.07524	0.4
173.09587	0.5
175.11201	17.8
178.12276	0.6
182.11774	5.8
193.12285	5.3
204.13905	0.6
205.06454	0.5
222.06937	0.8
237.09091	0.8
246.18562	25.4
264.19611	100.0
265.08685	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	264.1958
Annotation	Lycodoline
Peak:m/z	Relative Intensity
51.02383	0.4
51.24686	0.2
53.03949	1.7
55.01875	0.5
55.05519	3.3
56.05040	0.7
58.06610	0.5
65.03948	1.6
67.05511	5.2
68.02654	1.0
69.03432	1.6
69.07067	0.9
70.06597	0.8
70.13256	0.7
70.13613	0.6
71.07381	6.8
72.08162	19.0
74.24063	0.3
77.03948	0.5
79.05501	100.0
81.03431	2.1
81.07067	8.7
83.03699	0.3
83.04989	0.6
90.09206	0.5
91.05490	22.9
92.06282	0.5
93.07052	6.4
95.04977	7.0
95.08601	1.5
96.04488	2.0
96.05775	0.3
97.05270	0.4
97.06525	0.7
98.06055	1.2
105.04518	0.8
105.07042	18.9
106.04159	0.6
107.04978	4.4
107.08604	69.6
109.06520	3.0
110.06058	0.6
111.06843	0.9
117.07002	0.6
119.04968	0.3
119.05264	0.3
119.06081	2.6
119.08593	5.0
121.06477	0.4
121.10147	0.7
124.07616	1.9
126.09100	0.6
129.07028	1.4
131.08583	3.7
133.06488	2.2
133.10139	10.0
138.09164	0.3
139.09935	15.2
140.10719	1.1
142.07809	0.9
145.10109	0.7
147.08078	2.1
147.11702	12.7
149.13263	4.1
152.10687	1.9
156.51901	0.3
157.10110	1.8
160.14227	0.3
175.11201	8.1
215.23276	0.2
218.18993	0.3
246.18553	51.0
264.19571	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1961
Annotation	Lycodoline
Peak:m/z	Relative Intensity
52.03146	0.9
53.03944	2.5
55.05518	8.0
58.06608	1.2
65.03934	2.8
67.05508	15.1
68.02663	1.2
69.03442	2.2
69.07060	2.3
70.06586	2.3
71.07373	8.5
71.36218	2.1
72.08163	36.5
79.05501	100.0
81.03407	4.2
81.07059	18.0
91.05488	35.9
93.03423	1.1
93.07056	12.5
95.04981	11.8
95.08634	2.1
96.04511	1.7
97.06551	1.2
98.06078	2.1
105.04523	1.2
105.07040	36.3
107.04964	6.1
107.08606	67.9
107.38887	1.2
109.06530	3.8
109.70975	1.0
111.06881	1.1
119.04898	1.5
119.06070	1.2
119.08601	13.4
121.10162	1.5
126.09174	1.4
129.06996	3.6
131.08539	7.1
133.06494	3.0
133.10133	11.5
139.09932	14.6
140.10715	1.3
142.07732	1.6
145.10123	2.3
147.08067	4.3
147.11697	46.3
149.13249	9.2
152.10683	2.9
157.10152	2.2
175.11203	8.6
218.83189	1.0
230.15356	1.0
246.18549	74.5
264.08542	2.2
264.19644	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	264.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	0.7
53.03942	3.6
55.01877	0.8
55.05518	6.3
56.05027	0.7
58.06613	0.8
61.01912	0.6
65.03938	2.6
67.05508	14.5
68.02646	1.2
69.03443	1.9
69.07081	3.6
70.06596	2.3
70.67603	1.7
71.07379	7.1
72.08160	41.2
77.03916	1.2
79.05499	100.0
81.03426	6.0
81.06583	1.2
81.07063	20.1
81.07530	1.2
83.04996	1.4
91.05488	41.5
93.03372	0.8
93.07056	18.4
95.04983	11.3
95.08623	2.5
96.04507	2.1
97.06541	2.4
98.06054	3.3
105.04530	1.0
105.06303	1.0
105.07038	43.7
107.04968	7.1
107.08601	75.1
109.06542	2.6
110.06078	0.9
111.06831	0.9
115.05409	0.8
117.07024	1.8
119.04934	1.0
119.06091	1.4
119.08589	12.7
120.05707	0.9
121.06481	1.0
121.10167	1.2
124.07606	2.4
126.09164	1.3
129.07002	3.3
131.08563	7.5
133.06509	7.2
133.09120	1.1
133.10139	21.6
139.09935	17.5
140.10706	1.5
142.07785	1.9
145.10150	2.1
147.08057	4.3
147.11697	49.7
149.13266	12.7
152.10730	4.0
157.10175	4.1
175.11182	12.3
191.13104	1.3
218.19124	0.7
246.18553	90.1
264.19583	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	264.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	100.0
58.05666	0.6
58.06600	0.8
58.80499	0.8
59.35793	0.6
67.98184	1.1
69.03440	1.1
69.07082	1.0
69.42040	5.1
70.06613	1.1
71.95277	2.3
72.08147	1.3
72.96053	5.5
73.02921	1.0
74.97644	1.6
79.05485	1.9
81.03422	0.7
81.61379	0.7
83.97636	3.7
84.04504	1.4
84.08163	1.5
84.96037	0.8
85.02908	2.0
86.09700	1.6
89.03904	0.9
91.05486	1.9
97.02884	1.7
97.99294	0.7
98.20767	1.5
98.97595	24.9
101.98692	0.7
107.08585	1.0
110.97563	0.9
112.36236	0.7
116.98641	7.0
119.04965	1.2
120.08144	0.8
122.07134	1.0
124.99084	0.8
128.98625	0.8
134.99677	2.6
135.04402	0.9
137.06007	0.8
139.51419	0.7
143.00269	0.8
144.96814	1.7
147.04436	1.8
149.02798	1.3
150.07770	5.5
151.07594	2.5
155.04721	0.9
162.05478	0.8
163.00647	1.1
163.03918	5.0
165.02225	3.7
167.03920	1.0
169.01782	0.9
170.99651	0.8
174.11063	0.7
176.03859	18.2
177.02341	0.9
178.05424	12.0
179.00204	1.8
181.01765	2.0
183.03314	8.6
185.01311	0.7
186.02266	1.9
190.01825	3.0
190.08652	0.8
192.03365	3.5
194.04918	5.2
196.06468	5.2
197.01260	2.3
201.04341	4.7
202.10785	1.1
204.03317	11.8
205.78575	0.8
208.02847	9.8
210.04393	2.1
218.11754	1.2
222.04405	91.7
226.03893	2.9
237.02779	0.8
240.05461	61.6
245.06075	1.9
246.04645	0.7
248.71880	0.7
263.07153	1.5
264.05493	33.1
264.12204	5.4
264.14740	5.4
282.06573	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2373
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03937	2.4
55.05273	1.2
55.05516	15.5
57.03435	1.6
57.07083	11.4
63.58886	0.9
65.03933	2.5
67.05511	78.7
69.06734	1.4
69.07073	15.8
69.51497	1.6
69.51908	5.3
71.04991	2.3
71.08626	7.4
72.08168	1.7
75.03965	0.8
75.04477	0.8
78.77750	1.0
79.05080	1.2
79.05503	23.7
81.07065	94.0
81.43924	0.9
83.08629	14.2
85.06535	2.8
85.10189	3.3
87.70522	0.8
90.83077	0.9
91.05491	17.1
93.07049	21.8
94.78113	0.9
95.04963	1.6
95.08616	80.9
97.06540	6.6
97.10178	6.9
99.08104	5.5
105.07040	14.1
106.07335	2.7
107.08614	15.5
109.10170	45.4
111.08064	4.7
111.11725	1.5
113.09644	2.4
119.08590	12.2
121.10165	19.4
123.08054	1.9
123.11731	20.7
125.09620	1.4
127.11201	2.6
131.08531	1.3
133.10144	16.2
135.11700	10.6
137.09605	1.8
137.13277	9.5
141.12828	2.5
145.10088	1.7
146.10428	1.3
147.11707	11.4
149.13280	12.1
151.14810	8.0
155.14333	3.0
158.65631	0.9
161.13277	10.6
163.14841	10.8
165.12759	1.1
165.16403	12.2
174.84462	1.0
175.14830	8.0
177.16399	2.6
179.17972	4.9
181.15900	2.0
182.41815	0.9
189.16425	5.2
193.16035	1.2
203.17981	2.0
217.19417	1.6
241.21078	0.9
245.17317	3.3
245.22681	45.7
246.18617	2.8
263.23730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2373
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05523	8.3
56.25685	0.8
57.07085	1.3
61.30553	0.8
65.03937	2.1
67.05513	100.0
69.07082	9.4
71.04993	2.1
71.08633	1.2
76.24437	0.8
79.05077	1.4
79.05502	19.1
81.07066	92.9
83.08613	7.2
85.06541	1.6
91.05485	9.9
93.06496	1.1
93.07059	20.1
95.08618	77.4
97.06536	1.2
97.10168	2.9
98.20687	1.3
99.08089	1.8
105.07050	6.6
107.08596	11.3
109.10164	24.5
111.08080	2.4
119.08567	6.6
121.10163	10.3
123.11712	12.4
131.61549	0.8
132.51921	0.8
133.10161	8.6
135.11673	5.1
137.13263	13.2
147.11714	4.8
149.13237	5.1
151.14838	3.8
161.13213	4.2
163.14867	4.7
175.14848	9.5
177.16385	1.6
189.16389	4.2
193.15948	1.5
207.17479	2.7
245.22688	5.3
263.23740	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	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03949	1.8
55.01863	1.4
55.05516	13.9
57.03443	1.9
57.07078	10.8
65.03940	2.2
67.05511	84.8
69.07079	15.9
69.81043	2.4
69.81454	2.1
69.98254	0.8
71.04994	1.4
71.08636	6.2
77.97260	0.8
79.05503	22.5
81.07065	100.0
83.04972	0.9
83.08627	12.5
85.06551	4.0
85.06980	0.9
85.10192	2.2
91.05495	14.8
93.07052	21.9
95.04980	2.0
95.08617	81.4
95.83993	0.8
96.09006	0.8
97.06523	6.6
97.10184	6.9
98.21410	1.2
99.08088	4.2
105.07039	13.4
107.08606	14.2
109.06511	1.7
109.10169	42.8
111.08086	5.2
111.11707	1.5
113.09660	3.0
119.08599	10.8
120.19231	0.9
121.10161	17.4
123.08073	2.4
123.11726	20.1
125.09660	0.9
127.11231	2.5
131.05426	0.8
133.10156	14.3
135.11708	10.3
137.09671	1.5
137.13271	8.2
141.12766	1.9
147.11700	10.2
147.22148	0.9
149.13289	8.2
150.68652	0.9
151.11177	1.9
151.14836	7.0
155.14355	2.6
157.10161	0.9
161.13289	11.9
163.14859	8.4
165.16406	8.5
175.14844	8.5
177.16386	1.9
179.14305	1.0
179.17943	5.3
189.16399	3.1
203.08591	2.3
203.17979	2.0
210.67245	1.0
217.15985	1.4
217.19502	2.0
219.08147	1.3
221.18991	0.8
231.08107	1.8
235.07559	1.5
245.22676	39.6
248.08249	2.7
263.07071	2.3
263.10663	9.5
263.23730	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1493
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
55.01868	7.5
55.05505	7.1
57.03442	2.2
57.07075	2.5
59.04998	1.9
67.05173	2.9
67.05509	26.5
69.03448	9.2
69.07081	9.7
70.06593	3.3
70.44717	1.8
71.03027	4.0
71.03364	2.5
71.04994	7.0
71.29984	1.9
79.05499	21.5
81.07056	29.8
83.04982	4.5
85.02931	2.4
85.06543	10.5
87.04488	2.5
91.05489	13.0
93.07053	71.8
93.07645	3.8
93.86572	2.0
95.04977	16.8
95.08635	11.7
95.09151	2.2
97.06544	11.6
97.07085	1.8
99.04471	8.4
101.06020	8.0
105.07030	23.1
107.04954	3.4
107.08607	72.2
109.06523	15.0
109.10170	3.5
111.08083	6.2
113.06004	5.2
117.07022	7.9
119.08589	26.3
121.06532	16.5
121.10157	91.7
123.08120	3.4
123.11709	5.0
125.05975	5.4
127.07534	2.6
129.05524	2.7
131.08549	5.2
133.10152	3.5
135.08057	20.5
135.11688	25.0
137.06000	3.1
137.13193	2.7
139.07545	5.6
139.11211	4.4
145.10130	29.7
147.11710	5.7
149.05951	1.9
149.09628	12.4
151.07539	3.1
151.11166	2.0
153.09123	17.7
153.12747	2.3
161.05931	2.3
163.11198	100.0
165.12831	2.8
167.10670	12.3
169.08644	10.4
171.10210	7.1
173.09616	6.6
181.12260	99.3
183.10161	4.0
185.11765	8.1
191.10690	42.4
199.11215	3.4
203.10762	3.2
209.11758	40.6
217.12105	3.5
227.10597	5.2
227.12788	66.0
232.98860	2.1
245.11768	8.8
245.13753	4.5
263.10352	3.1
263.12833	10.2
263.16730	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	263.1393
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
53.03963	0.5
55.05516	0.5
58.99588	0.4
63.55779	0.3
69.07085	0.5
69.68065	1.8
70.06600	31.8
76.83812	0.3
77.65031	0.3
78.84579	0.3
81.07059	0.6
84.04514	1.2
84.08160	0.6
86.09717	0.5
91.05491	0.9
93.07064	2.0
95.06084	0.6
95.08623	0.9
97.06541	0.4
98.06100	0.5
98.97550	0.5
101.06033	0.3
103.05484	6.0
110.07198	0.8
112.50166	0.3
114.05502	0.6
116.07104	78.8
117.02053	0.5
119.08610	0.4
120.08118	100.0
130.05028	0.4
130.06525	0.5
131.04898	0.4
131.08424	0.3
144.01204	0.4
144.06560	0.8
146.34142	0.3
157.07649	0.6
162.02260	0.4
163.02580	0.5
217.13557	0.4
245.12888	0.8
263.13931	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	263.1279
Annotation	Hedyosumin B
Peak:m/z	Relative Intensity
55.05504	1.0
57.03424	2.5
67.05494	2.3
69.03443	0.8
71.04988	0.8
71.38048	0.7
78.85175	0.7
79.05475	1.9
81.07043	2.1
88.41141	0.7
91.05492	4.3
95.04943	0.8
98.21511	2.7
103.05463	1.8
105.07022	2.1
107.04955	2.6
107.08565	1.3
109.10163	3.1
115.05448	8.7
116.06255	1.7
117.07019	8.2
119.08595	1.5
121.06477	0.8
125.61990	0.7
127.05424	0.9
128.06238	4.7
129.07004	7.5
130.07787	1.3
131.04929	1.7
131.08563	3.3
132.05666	1.7
133.06482	2.9
141.07016	6.7
142.07784	8.1
143.04909	1.7
143.08562	6.6
144.05716	10.5
145.06502	18.3
145.07652	1.0
145.10129	2.5
146.07285	1.5
147.04395	2.2
147.08066	4.4
152.06171	2.8
153.06981	2.9
154.07790	1.2
155.06047	5.2
155.08553	5.2
157.06473	5.1
157.10118	4.2
158.07294	6.7
159.04422	1.4
159.08075	8.1
160.05183	4.8
161.05966	2.8
165.06981	2.1
167.07043	9.8
167.08575	5.5
169.06490	2.1
170.07281	13.0
171.08115	3.8
172.05205	2.0
172.08859	2.7
173.06003	9.6
173.09616	6.7
174.06761	2.9
175.03960	4.0
175.07550	10.1
175.11188	1.8
177.05492	2.0
181.06490	1.1
181.08649	1.1
182.07332	1.2
183.08018	1.5
184.08841	1.5
185.06017	1.6
185.09619	15.0
186.06775	5.1
187.07590	7.9
189.05417	2.1
189.09102	2.9
190.06261	26.1
191.06985	1.1
192.07816	24.8
193.08592	2.0
195.08096	3.1
198.06831	2.2
199.07527	1.2
200.08308	1.6
201.09103	11.7
203.07065	3.1
203.10707	3.2
204.07813	5.3
205.08611	61.5
206.09372	1.4
207.10211	22.3
213.09111	23.8
215.07033	1.6
217.08582	2.5
218.09407	12.3
219.10173	21.9
221.08144	1.8
230.09415	2.3
231.10185	2.0
232.10938	3.0
233.11717	10.9
235.07556	0.8
235.13318	5.0
245.11742	10.5
263.12811	100.0
275.26904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49249	0.7
70.15978	2.0
82.99847	5.1
96.54346	0.7
97.80325	0.7
101.00896	33.8
102.89226	0.7
112.89632	4.8
113.00884	8.2
114.89377	3.6
119.01935	23.2
127.02429	1.6
131.01923	11.9
135.76994	0.7
139.02466	0.8
143.01915	72.6
143.74396	0.7
145.03452	2.5
149.02995	0.9
155.01903	12.9
157.03484	3.9
158.78169	0.7
161.02977	100.0
167.01891	1.0
173.02985	25.6
184.04659	1.6
185.02988	4.7
191.04033	14.2
191.05611	1.3
197.02913	1.6
203.04030	33.4
215.04016	1.0
221.05060	5.7
233.05087	1.8
239.06146	1.9
256.72110	0.7
258.13034	0.7
263.06165	39.8
272.87903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63103	0.3
58.99857	0.6
64.90495	0.3
70.09398	1.3
70.99860	2.1
77.00900	0.8
81.03400	0.9
82.99845	3.4
89.00909	2.6
90.36156	0.3
93.88453	0.3
97.01407	0.6
98.97584	0.4
101.00893	15.8
107.01865	0.3
109.02906	0.8
113.00884	1.1
115.02454	1.1
117.00359	0.6
119.01939	10.2
127.02452	2.7
131.01912	1.2
133.03516	0.4
135.01427	0.5
137.03014	0.7
139.02402	4.4
141.00352	0.6
143.01903	12.0
145.03476	4.7
157.03485	11.4
159.01390	2.3
161.02971	14.4
163.04562	0.4
167.01907	1.6
169.03488	0.6
173.02998	0.9
175.04529	2.2
179.04192	0.4
185.02959	5.3
187.04590	1.0
191.03915	0.3
203.04034	10.3
221.05089	8.7
222.02779	0.3
239.06133	5.9
239.98465	1.4
245.04982	0.3
263.06149	100.0
264.06332	0.5
281.07217	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83238	8.8
56.96581	10.6
69.32784	50.3
69.33189	26.4
72.18951	8.9
78.72953	8.7
82.61086	8.8
82.99805	9.2
96.96022	8.4
101.00902	56.3
119.01909	25.2
120.22215	8.5
126.55873	10.1
128.96671	11.1
143.01909	89.4
155.01906	22.7
159.66321	9.9
161.02966	100.0
173.03008	26.6
178.74197	10.2
179.43689	10.1
191.04060	10.8
201.52066	10.5
203.04056	30.5
206.39873	10.5
263.01718	80.2
263.06100	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
53.48565	1.0
55.01873	1.3
55.05503	4.0
57.07098	1.4
59.76980	1.1
60.04501	1.5
60.32972	1.1
65.03947	2.6
67.05517	18.5
69.03442	12.3
69.07088	6.7
70.91735	3.0
71.08648	15.7
74.55164	1.2
77.03915	1.3
79.05504	100.0
80.99516	1.1
81.03421	5.9
81.07072	19.8
83.04976	1.3
83.08631	1.1
84.04520	8.7
86.06071	1.9
88.11285	13.5
90.58167	1.1
91.05495	43.4
93.07056	25.0
95.04964	3.8
95.08633	7.6
98.06072	6.5
99.06876	6.8
105.07047	30.5
107.08611	64.5
109.06528	3.0
112.07595	5.2
114.09173	4.2
119.06053	2.4
119.08572	5.5
121.10163	6.2
129.07030	1.3
130.12256	1.9
131.08589	9.7
133.06485	3.3
133.10153	29.1
140.10667	1.7
142.12276	1.6
147.11705	22.3
149.13271	26.2
155.13065	2.3
156.13878	2.5
157.10101	1.8
168.13858	15.8
174.28899	1.2
175.11201	9.2
182.15506	1.8
207.16220	1.6
262.21719	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1804
Annotation	Lycophlegmine
Peak:m/z	Relative Intensity
50.56456	0.6
50.64516	0.6
51.02378	0.7
53.03939	1.2
54.98219	0.6
55.05508	2.7
55.71742	0.8
58.06607	0.8
62.48735	0.7
65.03955	1.1
66.45377	0.6
67.05515	6.5
68.02659	1.0
69.03440	0.9
69.07074	1.0
69.81184	2.5
70.06587	1.6
71.07375	2.6
72.08161	24.6
77.67062	0.6
78.87811	0.6
79.05061	1.1
79.05502	12.0
81.03428	2.4
81.07068	7.5
83.05008	0.8
90.09242	0.9
91.05484	11.4
93.07053	2.5
95.05007	3.0
95.08601	0.8
96.04489	0.7
98.06065	1.6
103.05472	5.3
105.07040	100.0
107.04964	1.7
107.08614	1.9
111.06796	0.7
114.09195	0.9
115.05414	1.4
116.06277	0.7
117.07029	26.0
119.08577	6.4
121.06416	0.7
121.10133	1.1
124.07601	0.6
128.06219	1.3
129.07011	3.9
130.07802	2.0
131.08578	23.3
133.06490	0.9
138.09178	1.0
138.14899	0.7
139.09970	5.7
143.08562	1.6
144.05714	1.8
145.06509	5.8
145.10133	29.2
147.11707	11.4
149.09631	1.3
152.10719	1.2
155.08556	2.1
158.07314	0.9
163.11157	0.8
173.09647	21.3
235.88104	0.8
244.16994	45.5
255.55109	0.6
262.15366	1.2
262.18063	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1804
Annotation	Lycophlegmine
Peak:m/z	Relative Intensity
53.03942	1.4
54.62294	0.6
55.01884	0.8
55.05524	2.8
56.11476	0.7
57.07077	1.8
58.06596	2.2
63.05094	0.5
65.03932	0.9
67.05514	4.8
69.03423	1.0
70.06590	2.3
70.34643	1.9
71.07378	2.4
72.08163	22.2
75.05173	0.7
79.05494	11.3
81.03450	1.7
81.07064	9.7
83.04995	1.2
90.09160	0.9
91.05493	12.2
91.06029	1.2
93.07066	2.5
95.04970	4.8
95.08639	0.8
96.04508	1.2
98.06068	1.0
98.09715	0.6
103.05500	4.4
105.07040	100.0
107.04958	1.7
107.08588	3.0
109.06487	0.9
114.09221	0.8
115.05493	1.7
116.06178	0.8
117.07034	23.6
119.08586	5.7
121.10198	0.6
126.09228	0.9
129.07013	4.5
130.07791	1.8
131.04916	0.9
131.08580	24.4
133.06502	0.9
139.09949	5.4
143.08585	2.4
144.05707	1.1
145.06505	7.0
145.10135	31.8
147.08121	0.8
147.11687	10.6
149.09625	1.8
152.10716	1.1
155.08549	2.4
158.07281	1.0
163.11278	0.9
164.10670	0.8
173.09639	18.6
191.10683	1.2
203.18025	0.8
216.17476	0.8
244.16994	47.1
253.36363	0.6
262.18054	24.5
262.21478	2.2
265.26062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1803
Annotation	Lycophlegmine
Peak:m/z	Relative Intensity
53.03942	1.7
55.05509	4.2
58.86626	0.6
67.05505	5.5
69.03429	1.2
70.06589	2.2
70.68641	1.3
70.68963	0.9
71.07372	2.6
72.08160	26.8
78.23265	0.7
79.05495	13.1
80.69321	0.6
81.03419	2.1
81.07056	3.6
88.07633	2.1
91.05494	13.2
93.07049	2.3
95.04985	2.3
95.08609	0.8
96.04493	1.1
98.06055	1.7
103.05489	4.1
103.06117	0.9
105.07037	100.0
107.04958	1.2
107.08607	1.3
114.09175	1.7
115.05437	1.1
116.06255	0.9
117.07027	28.1
119.08588	5.2
124.07574	0.8
124.99600	0.6
126.09096	0.9
128.06210	1.0
129.07002	6.6
130.07794	2.5
131.08574	27.7
132.10228	2.9
139.09944	6.4
143.08606	1.2
144.05746	1.5
145.06488	7.4
145.10132	35.1
147.11707	11.0
150.11314	2.1
152.10721	2.0
155.05989	1.0
155.08565	2.6
158.07339	1.0
173.09634	21.9
173.11032	1.4
218.21349	1.1
224.95499	0.6
244.16983	53.3
262.07950	0.7
262.18045	16.4
262.23788	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	262.1805
Annotation	Lycophlegmine
Peak:m/z	Relative Intensity
53.03950	1.9
53.79429	0.5
55.01865	0.7
55.05518	3.1
56.05045	0.6
57.92192	0.5
58.06602	1.7
65.03952	0.6
66.77407	0.5
67.05515	5.8
67.16238	0.6
68.02672	0.7
69.03436	1.1
69.34390	0.6
69.52244	3.6
70.06592	2.1
71.07379	2.8
72.08162	22.3
77.03918	0.8
79.05502	14.0
81.03417	1.4
81.07066	8.4
83.04978	0.9
91.05487	12.9
93.07059	2.1
95.04974	3.3
95.08581	0.6
96.04488	1.0
98.06070	1.0
103.05490	4.6
105.07043	100.0
107.04978	1.8
107.08611	2.2
115.05484	2.1
117.07030	24.6
119.08595	4.7
121.10136	1.2
123.08183	0.7
126.09219	0.6
128.06287	1.3
129.07008	4.2
130.07782	2.0
131.04968	0.8
131.08588	21.5
133.06535	1.3
133.10126	0.7
139.09940	6.0
140.10732	0.7
143.08582	2.0
144.05750	1.0
145.06508	6.1
145.10138	30.1
147.07980	0.8
147.11707	9.4
149.09639	1.9
152.10725	1.6
153.66255	0.6
155.08563	2.0
156.94377	0.5
158.07280	1.2
163.11176	0.7
172.40187	0.6
173.09644	21.6
174.12779	0.6
191.10741	1.1
205.91077	0.6
236.58495	0.6
244.17000	42.5
262.18066	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1805
Annotation	Lycophlegmine
Peak:m/z	Relative Intensity
53.03947	2.9
55.05506	7.3
56.05030	1.5
59.00107	1.3
65.03938	1.4
67.05514	21.1
68.00875	1.6
69.31348	3.8
69.31766	6.2
70.06603	2.4
71.07387	2.7
72.08164	71.1
79.05499	25.7
81.03425	2.9
81.07077	4.7
88.29094	1.3
88.61324	1.1
90.09243	3.2
91.05492	33.2
91.12492	1.3
93.03405	3.2
93.07056	4.5
93.10269	1.4
95.04976	4.3
95.08652	1.3
96.04476	2.5
98.06113	1.9
103.05480	4.8
105.07045	85.8
107.04986	8.6
107.08627	1.7
114.09177	2.0
115.05450	2.3
116.06248	1.6
117.06223	2.8
117.07035	41.9
117.33977	1.3
119.08584	5.2
126.09209	1.7
128.06235	2.0
129.06061	1.9
129.07019	29.2
130.07802	3.8
131.08582	83.5
139.09958	5.4
143.08562	4.3
145.06480	11.8
145.10143	81.5
147.11725	8.9
152.10674	1.3
153.06985	2.7
155.08566	9.1
158.07271	1.5
162.12791	3.9
164.10777	2.9
164.84612	1.3
168.41402	1.5
173.09642	40.2
198.12810	2.1
218.48819	1.3
226.15964	1.7
244.17006	100.0
262.18063	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	262.1804
Annotation	Lycophlegmine
Peak:m/z	Relative Intensity
53.03942	2.0
54.58451	0.6
55.05510	2.9
56.05035	0.7
58.85298	0.7
67.05511	5.4
69.03439	1.1
70.06602	1.8
70.79554	1.6
71.07367	2.5
72.08160	22.7
77.03947	0.8
79.05498	13.9
81.03415	1.9
81.07066	11.4
83.04972	1.4
84.66248	0.7
91.05489	14.0
93.07055	1.9
95.04980	2.8
95.08599	1.5
96.04548	1.0
98.06042	1.6
100.74950	0.6
103.05478	6.0
105.07041	100.0
107.04967	1.4
107.08632	1.1
109.06524	0.9
114.85651	0.6
115.05457	2.0
116.06230	1.1
117.07029	24.9
119.08624	6.9
120.08115	0.6
121.10197	0.9
124.07621	1.2
128.06276	1.1
129.07005	4.2
130.07826	2.1
131.08577	21.6
131.09534	1.3
139.09929	5.2
140.10828	1.0
141.20735	0.6
143.08566	2.6
144.05725	2.0
145.06502	6.3
145.10136	31.9
147.11690	9.9
148.81662	0.6
152.10773	0.8
153.07024	0.8
155.08594	2.1
163.11282	0.8
173.09650	18.7
180.10316	1.0
191.10716	1.5
202.04918	0.6
244.17003	42.4
245.79100	0.8
262.18042	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	262.1804
Annotation	Lycophlegmine
Peak:m/z	Relative Intensity
53.03946	1.7
55.01876	0.6
55.05516	4.1
56.32023	0.4
57.03451	2.8
58.85801	0.4
62.05647	0.4
67.05511	5.1
69.03432	1.1
69.07058	0.4
70.06606	2.3
70.10223	0.8
70.10568	1.6
70.29332	0.4
71.07391	3.2
72.08160	24.9
79.05495	13.8
81.03431	1.9
81.07063	3.1
88.07636	0.4
90.29866	0.4
91.05490	11.8
93.07040	2.7
95.04982	3.1
95.08609	0.8
96.04498	0.9
97.06552	0.5
98.06035	2.1
98.21422	0.5
98.58196	0.4
98.97632	0.4
101.71716	0.5
103.05463	5.2
105.07038	100.0
107.04959	2.2
107.08604	1.6
109.06547	1.1
114.09178	1.3
115.05441	1.7
116.06257	1.0
117.07025	31.0
119.08587	5.4
121.06557	0.5
121.10174	1.0
123.04411	0.7
126.09158	0.5
128.06216	0.9
129.07016	5.7
130.07785	1.8
131.04933	1.8
131.08577	23.8
133.06491	1.3
133.10092	0.5
135.08072	1.5
138.09125	0.7
139.09935	6.1
140.10735	0.6
143.08598	1.5
144.05713	2.6
145.06493	8.9
145.10135	31.2
147.11702	11.4
149.05966	0.4
149.09674	0.9
152.10741	1.0
153.07013	0.7
155.06030	1.2
155.08557	2.5
158.07274	1.7
162.12813	0.7
163.11182	0.9
173.09639	22.8
180.74464	0.4
191.10686	1.3
200.20042	0.5
206.15392	1.5
216.17435	1.1
244.16995	50.5
262.09689	0.7
262.18042	22.0
262.23816	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	262.1804
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
50.49197	0.4
53.03944	1.7
55.01878	1.4
55.05515	2.7
56.05056	0.5
57.03437	1.0
58.06607	0.5
59.04997	0.4
59.49614	0.3
67.05509	5.2
68.02637	0.8
69.03435	1.2
69.07088	0.4
70.06592	0.5
71.04990	2.0
71.07368	2.3
71.17771	0.9
72.08162	16.6
74.77866	0.4
79.05495	13.9
80.63136	0.4
81.03424	3.0
81.07062	17.1
83.04985	5.5
85.02922	0.8
85.06549	0.9
91.05486	23.6
93.03432	0.4
93.07048	13.1
93.07642	0.7
95.04974	45.8
95.08606	2.0
96.04459	0.5
97.06516	1.5
98.06049	0.5
103.05461	2.5
105.07037	72.2
107.04948	3.8
107.08627	3.1
109.06530	2.1
111.04470	1.5
113.02390	0.4
115.05425	1.2
115.56309	0.4
116.06236	0.9
117.07023	9.2
119.08587	6.1
121.06508	1.4
121.10152	13.2
123.08079	3.4
124.07607	0.8
128.06239	0.6
128.51689	0.3
129.07005	4.9
130.07784	1.8
131.04921	0.5
131.08577	25.7
133.06500	14.6
135.08055	1.6
135.11688	0.4
139.09938	3.7
140.10703	0.6
143.08566	1.1
145.06487	1.4
145.10127	22.7
147.04509	0.8
147.08038	3.5
147.11693	2.7
149.09628	31.7
153.06979	0.5
155.08533	1.1
158.07367	0.4
163.11179	4.1
164.10713	0.5
173.09641	5.7
191.10634	3.3
209.11754	1.3
220.17090	0.9
244.17007	9.1
245.11586	0.6
249.16003	0.4
262.18033	100.0
268.72440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1804
Annotation	Gnidioidine
Peak:m/z	Relative Intensity
50.69054	0.7
53.03938	1.1
53.47558	0.7
55.01862	0.9
55.05506	3.6
67.05505	6.0
69.03423	2.2
69.18416	7.9
70.06577	0.8
71.04975	0.9
71.07377	2.6
72.08165	23.5
79.05502	14.0
81.03405	3.0
81.07066	12.3
83.04987	1.2
91.05496	19.1
93.07056	6.0
95.04980	20.0
95.08607	2.4
96.04457	1.0
96.72509	0.8
97.06516	0.9
98.06090	1.0
98.20774	1.2
100.33153	0.9
103.05492	4.0
105.07043	100.0
107.04940	2.5
107.08570	2.4
110.06040	0.9
110.54603	0.8
114.09221	0.9
115.05428	2.2
116.06241	1.1
117.07039	20.8
119.04942	3.2
119.08624	5.4
121.10156	5.1
123.08060	2.0
128.06227	1.2
129.07007	4.1
130.07780	2.9
131.08574	24.4
133.06511	7.8
139.09950	4.2
140.10783	1.1
143.08516	2.2
145.06488	5.2
145.10141	30.7
147.04425	16.9
147.08080	1.7
147.11699	9.6
147.99863	0.7
149.09624	10.9
153.06999	0.9
155.08554	1.2
163.11214	1.9
173.09650	18.1
191.10764	2.7
209.11725	0.9
244.14464	1.1
244.17014	39.6
262.18060	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.6
53.03936	3.9
55.01874	2.4
55.05505	5.3
55.61625	1.1
57.54163	1.2
65.03929	2.6
65.98066	1.2
66.62027	1.6
67.05508	23.0
69.07059	3.4
69.15981	1.2
69.78647	8.0
70.06588	10.4
72.08157	6.7
77.03897	1.2
79.05499	100.0
81.03426	2.6
81.07065	35.1
88.07639	20.5
91.05486	60.4
93.07050	14.8
95.04974	23.8
97.06521	4.3
98.21452	2.6
101.08693	1.4
103.05467	2.1
104.58667	1.4
105.07038	71.6
107.04972	11.8
107.08607	58.4
109.06505	3.0
111.74730	1.3
114.05515	3.9
115.05456	1.6
117.06983	6.4
119.06068	1.4
119.08585	24.6
121.06494	1.8
129.06984	7.6
131.08565	13.9
133.06488	3.5
133.10135	18.7
139.09949	1.7
140.07059	4.7
140.59341	1.3
142.07767	2.8
145.10184	9.5
145.36383	1.2
147.08046	8.6
147.11700	57.1
151.07500	2.4
155.09454	1.9
155.35243	1.2
157.10109	3.8
173.09660	3.8
175.11214	10.3
189.94724	1.5
195.72971	1.4
218.03465	1.7
244.16954	7.6
262.09796	2.9
262.18036	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1805
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
53.03939	2.5
55.01886	1.2
55.05511	6.2
65.03940	3.2
67.05518	18.5
69.03423	1.9
69.07060	4.7
70.06598	12.7
70.52132	1.1
71.04989	1.9
71.29441	2.1
71.67922	1.2
72.08163	8.2
74.27020	1.4
79.05505	100.0
80.05833	2.5
81.03428	3.0
81.07072	35.7
83.04984	2.1
86.09698	2.1
88.07607	2.8
90.36809	1.1
91.05495	53.5
93.07065	13.3
95.04989	20.5
95.08595	2.0
97.06542	4.7
98.06065	1.7
98.20815	1.4
103.05486	1.8
105.07050	64.5
107.04973	12.2
107.08607	70.8
109.06547	3.7
115.05453	1.9
117.07021	8.6
119.06041	2.1
119.08603	19.5
121.06477	1.7
129.07005	5.7
130.07813	1.6
131.08589	13.3
133.06461	3.7
133.10152	18.3
140.42657	1.5
142.07796	4.1
145.10089	10.3
147.08038	5.5
147.11714	43.6
149.09624	1.5
149.13266	3.5
157.10136	3.9
159.11708	2.7
173.09654	4.4
175.11169	11.8
191.08414	1.7
193.93352	1.6
200.66379	1.4
203.08519	1.9
204.08868	1.2
204.13824	6.6
206.15497	1.8
218.07379	1.9
219.08067	14.6
232.17255	1.5
233.09624	2.5
234.10126	5.6
244.17010	14.3
247.07632	8.4
262.06442	3.5
262.09796	28.0
262.18079	30.2
262.20898	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	262.1077
Annotation	Annomontine
Peak:m/z	Relative Intensity
69.77412	1.2
75.38681	0.2
84.08143	0.3
149.48027	0.2
151.07509	0.2
174.09145	0.8
182.38808	0.2
184.07614	0.4
201.07823	0.3
202.08643	24.4
209.37068	0.2
216.10222	4.4
217.11006	2.7
219.08786	0.3
238.98529	0.2
247.08423	23.6
262.10760	100.0
263.11093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63382	0.2
70.06599	0.3
70.70238	0.6
78.80445	0.2
84.08113	0.2
112.50251	0.2
130.69528	0.2
174.09157	0.5
184.07602	0.4
201.07877	0.4
202.08641	23.9
203.09064	0.2
204.07565	0.2
216.10258	3.6
216.12186	0.4
217.10974	2.9
219.08878	0.3
231.56595	0.2
247.08420	22.1
262.10757	100.0
263.11111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03945	2.1
55.05273	0.6
55.05516	10.1
57.03422	1.2
57.07072	2.8
65.03934	1.7
65.46286	0.4
67.05509	31.1
69.07074	9.0
70.77631	1.2
71.04991	1.4
71.08629	1.3
72.61941	0.4
73.94340	0.5
77.03940	1.0
79.05499	43.9
81.03418	0.6
81.07064	35.5
83.04999	1.0
83.08624	5.1
85.06534	2.3
85.10181	0.5
91.05487	19.0
93.07051	57.1
95.04966	2.7
95.08614	28.1
97.06524	2.5
97.10161	2.3
99.08074	2.6
103.05444	0.7
105.04548	0.6
105.07032	12.5
107.08605	38.3
109.06508	1.1
109.10168	11.7
111.08105	2.3
113.09641	1.3
113.33950	0.6
113.61408	0.5
117.07029	4.8
119.08599	12.7
121.10152	34.9
123.08084	0.8
123.11735	3.9
125.09651	1.0
131.08582	10.0
133.10139	11.3
135.11702	27.5
137.09612	1.6
137.13275	1.1
137.23708	0.5
139.11200	0.8
145.10143	11.9
147.11707	9.8
149.02335	1.8
149.09674	0.7
149.13272	21.4
151.11197	0.9
153.12762	0.7
159.11711	8.2
161.13264	9.6
163.11221	1.0
163.14830	17.5
165.12804	0.8
173.13278	8.0
175.14828	4.0
175.87996	0.5
177.16362	4.4
179.14272	1.2
187.14825	5.9
189.16370	0.9
201.16389	2.0
203.17874	0.5
205.14182	0.6
205.15921	1.0
215.17970	1.6
217.19366	0.5
219.17523	0.7
233.22588	1.0
243.21097	25.3
246.39502	0.6
250.85915	0.5
261.09073	1.2
261.22156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03947	2.1
53.78847	0.4
53.84689	0.4
54.27951	0.4
55.01865	0.7
55.05273	0.8
55.05520	10.1
57.03426	1.2
57.07083	2.7
65.03944	1.0
67.05514	27.4
69.06730	0.6
69.07075	7.5
70.01882	2.1
71.04986	1.4
71.08619	0.6
77.03932	0.8
79.05502	38.2
80.05820	0.9
80.38837	0.4
81.07068	35.7
83.04974	0.5
83.08637	5.1
85.06560	2.8
91.05489	17.2
92.05776	0.8
93.07055	49.7
94.07398	0.5
95.04990	3.0
95.08620	24.6
97.06553	3.1
97.10162	1.8
98.21434	0.5
99.08134	2.4
105.04493	1.1
105.07043	13.0
107.08608	35.5
108.08914	1.4
109.06505	1.1
109.10171	10.6
111.08084	2.0
111.11727	0.5
113.09646	0.8
117.07032	4.8
118.06519	0.4
119.06082	0.7
119.08589	11.8
121.10156	28.6
123.08095	1.4
123.11711	3.6
125.09618	0.9
131.08583	10.4
133.10152	9.7
135.11705	26.8
137.09583	1.0
137.13271	1.0
139.11179	0.8
142.41171	0.4
143.08588	0.6
145.10136	10.4
147.11707	8.9
148.12059	0.6
149.02324	1.0
149.09564	0.8
149.13277	20.1
151.14807	0.5
159.11719	8.1
161.11984	0.8
161.13274	9.1
163.11194	0.5
163.14839	14.3
165.12769	1.1
173.13268	8.4
175.14867	3.7
177.13002	0.4
177.16414	4.7
179.14363	0.7
187.14839	5.0
189.16426	0.7
201.16362	2.4
203.18005	0.5
205.14273	0.5
205.15947	0.6
208.11678	0.4
215.18021	1.4
217.19579	0.8
219.17416	0.9
233.22656	0.4
243.21121	26.7
256.19098	0.5
261.22189	100.0
262.22321	0.5
263.81039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
53.03942	1.5
55.01873	0.6
55.05517	7.9
57.03432	0.7
57.07085	3.6
58.22179	0.4
62.22359	0.5
65.03959	2.0
67.05511	26.4
69.06731	0.6
69.07073	9.4
69.33828	2.7
69.34233	1.1
70.09710	0.5
71.04985	1.7
71.08621	1.5
77.03918	0.6
79.05500	37.3
81.07065	31.7
81.56997	0.4
83.08625	5.2
84.96029	1.9
85.06554	3.4
91.05491	17.8
93.03411	0.5
93.07053	50.2
95.04959	1.8
95.08617	25.5
97.06528	1.7
97.10172	2.2
99.08105	3.1
105.04537	0.8
105.07037	12.7
107.04935	0.6
107.08605	33.4
109.06508	1.1
109.10165	11.1
111.08120	2.3
112.10973	0.4
113.09653	1.0
117.07043	5.4
119.06093	0.8
119.08595	10.2
121.06575	0.5
121.10155	31.8
123.08067	1.5
123.11719	3.4
125.09620	0.7
130.07787	0.8
131.04906	0.8
131.08580	11.1
133.10138	9.8
135.11710	25.1
137.05991	2.8
137.09602	1.3
137.13248	1.7
138.06290	0.4
138.59625	0.5
139.11234	0.7
145.06448	1.1
145.10136	11.5
147.11688	8.8
149.02365	0.9
149.09573	0.5
149.13272	21.0
151.11098	0.6
151.14810	0.6
153.05528	1.0
153.12793	0.6
159.08105	1.7
159.11729	7.6
161.13275	9.6
163.07574	1.1
163.11226	0.5
163.14825	14.3
165.12854	1.0
171.02292	0.5
173.09641	2.7
173.13280	8.3
175.14891	3.3
177.09138	1.1
177.12820	0.5
177.16414	4.2
179.14322	1.4
187.14857	5.8
189.09132	0.8
190.09882	0.9
191.10728	2.1
201.16435	2.2
205.12239	5.2
205.15846	0.7
215.17961	1.3
218.07196	0.7
219.17487	0.7
233.22678	1.2
243.21104	28.4
261.09256	2.3
261.18787	4.4
261.22165	100.0
265.84436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03949	2.7
55.05268	0.8
55.05513	10.7
56.54487	0.5
56.58352	0.6
57.03437	1.5
57.07085	3.0
59.04985	2.0
64.93214	0.5
65.03931	2.1
67.05511	30.4
69.06728	0.7
69.07078	9.7
69.85367	2.4
71.04985	1.6
71.08631	1.5
72.08172	0.8
77.03926	1.0
79.05500	41.5
81.07065	35.1
83.04993	1.5
83.08622	5.2
85.06557	3.0
85.10148	0.5
86.06075	0.7
90.08620	0.5
91.05486	22.1
93.07050	57.3
95.04969	3.0
95.08617	26.5
97.06519	2.1
97.10175	2.1
97.48689	0.6
99.08100	2.8
103.05451	0.7
105.04507	1.0
105.07034	14.1
107.08604	35.5
108.08915	0.6
109.06545	1.0
109.10169	12.0
111.08089	1.7
113.09650	1.2
115.07571	4.9
117.07032	5.4
117.55370	0.5
119.06133	0.7
119.08587	11.9
119.09377	1.1
121.06477	0.7
121.10155	32.7
123.08037	1.1
123.11700	4.0
125.09624	1.3
129.07033	0.7
130.07796	0.6
131.08586	11.7
133.10135	11.0
135.04396	0.8
135.11705	25.9
137.09612	1.5
137.13264	1.2
145.10127	11.6
147.11693	10.6
149.02348	1.7
149.09732	1.1
149.13275	25.6
151.11208	0.7
153.12746	0.8
159.11696	9.0
161.13275	10.3
163.14818	15.5
163.16112	1.0
165.12726	1.2
173.13281	9.3
173.38081	0.7
175.14844	3.4
177.16446	4.3
179.14346	1.3
187.14847	6.1
189.16418	1.1
197.84804	0.6
201.16428	2.8
213.01517	0.8
215.17992	1.4
220.52461	1.2
222.01807	1.0
229.03185	0.6
229.52934	0.8
230.52715	0.6
233.22688	1.4
241.03777	0.7
243.18541	0.7
243.21088	26.0
261.22162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1851
Annotation	2-Polyprenyl-6-methoxyphenol
Peak:m/z	Relative Intensity
53.03944	1.3
55.05515	7.0
57.07081	11.1
65.03943	2.0
67.05509	26.7
69.06726	1.4
69.07074	16.2
69.25478	8.2
71.05002	1.5
71.08640	6.4
73.78345	0.9
75.19032	0.8
78.72852	1.0
79.05503	31.9
81.07067	29.4
83.08656	4.8
85.06544	2.3
85.10182	2.7
91.05488	19.9
93.07052	42.5
95.04976	1.8
95.07994	1.1
95.08617	23.7
97.06530	3.2
97.10176	1.7
98.21473	1.7
99.08115	2.1
103.05476	3.9
104.59541	0.9
105.04530	1.5
105.07047	12.0
107.08605	26.1
109.06526	2.7
109.10161	10.6
111.08080	1.7
111.11754	1.1
115.05453	2.1
117.07043	11.8
119.08588	9.3
121.06524	3.3
121.10155	25.3
123.11716	4.8
130.07794	3.7
131.04919	9.1
131.08577	20.4
133.10146	9.0
135.08083	1.4
135.11708	22.4
137.05991	28.0
137.09590	1.7
137.13257	1.8
142.49683	1.0
143.08530	1.7
144.05746	3.5
145.06500	19.6
145.10139	27.1
147.06291	0.9
147.11671	6.8
148.05219	3.2
149.02390	2.6
149.05997	3.4
149.12158	0.6
149.13274	17.2
151.07605	4.4
151.11131	1.5
155.08525	2.7
158.07295	10.1
159.08072	24.0
159.11713	8.0
161.05963	2.2
161.09616	1.2
161.13295	10.5
162.06720	5.2
163.07564	11.3
163.14833	14.8
165.12799	1.4
173.09639	42.3
173.13205	6.4
175.07571	8.2
175.14810	2.7
176.08348	4.0
177.09142	16.5
177.16431	4.4
179.14490	0.8
187.14874	4.7
189.09117	3.5
190.08002	1.6
190.09911	11.6
191.10693	43.1
193.12361	1.0
201.16432	2.2
204.11409	2.4
205.12262	100.0
215.17874	1.1
218.07178	5.1
219.13844	1.9
229.15901	1.7
232.08792	1.0
233.09523	4.0
233.22710	1.3
243.21101	21.4
246.06813	2.2
261.09140	14.0
261.12930	2.5
261.18536	91.9
261.22171	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24512	0.7
55.05500	0.9
57.03443	1.3
57.07082	0.7
61.02916	0.7
65.03951	1.4
66.29591	0.6
69.03427	2.0
69.07078	3.0
70.06593	1.6
71.51324	0.8
72.08164	1.3
73.02969	0.7
74.94332	0.7
81.03440	0.7
81.07080	0.7
81.28334	0.7
84.04512	7.4
84.08150	2.2
85.02914	100.0
86.09715	33.0
86.10254	1.2
91.05511	1.3
95.01347	9.8
95.04977	0.9
97.02912	2.0
98.97601	2.8
98.98472	1.7
109.02869	1.2
113.02383	1.6
116.07146	0.6
116.10738	1.3
116.98642	1.1
119.04941	0.7
121.02878	1.3
123.00868	0.7
123.08159	0.8
127.03927	11.5
129.22676	0.6
130.05038	2.1
132.10210	8.3
137.05951	1.4
141.01848	26.9
141.05388	0.7
144.05467	0.7
147.04492	0.8
149.02391	7.1
149.03444	1.2
158.99733	1.2
159.03032	1.2
177.00731	0.7
183.02907	4.2
198.11337	2.0
201.03923	4.8
215.10680	0.8
237.02870	1.2
243.08147	1.6
244.11897	2.2
261.03790	0.9
261.09265	0.9
261.12393	0.8
261.14914	3.8
261.18188	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1852
Annotation	2-Polyprenyl-6-methoxyphenol
Peak:m/z	Relative Intensity
50.65673	1.0
55.05505	3.5
57.07082	11.0
63.18415	1.0
65.03924	1.7
67.05515	7.1
69.07078	12.9
71.08633	1.8
71.52596	1.2
78.94400	1.0
79.05501	9.7
81.07062	8.9
83.08603	1.9
85.10176	4.2
85.13283	1.0
91.05481	8.2
92.52976	1.0
93.07049	11.4
95.08596	5.6
98.97609	2.0
103.05478	4.6
105.07051	5.7
107.04982	1.5
107.08603	8.9
109.06515	1.7
109.10148	2.4
115.05443	2.3
117.07018	6.7
119.08572	3.3
121.06517	4.3
121.10148	5.5
128.98582	1.2
129.06944	1.1
130.04298	1.0
130.07835	4.9
131.04933	11.8
131.08582	12.0
133.10165	2.1
135.11705	5.9
137.05994	26.8
137.13246	1.6
143.08554	1.5
144.05745	2.9
145.06494	18.7
145.10144	22.0
148.05310	2.4
149.02405	5.3
149.03392	1.3
149.05989	2.6
149.13385	2.6
151.07538	4.3
154.00999	1.0
155.08702	1.0
158.07292	9.0
159.08080	25.7
159.11736	1.6
161.05988	1.9
161.13274	1.2
162.06776	4.9
163.07571	13.6
163.14919	1.1
173.09642	40.9
175.07556	6.8
176.08382	4.3
177.09138	17.9
178.85225	1.3
187.11256	1.9
189.07037	1.0
189.09134	4.0
190.07990	1.8
190.09889	11.7
191.10692	44.0
202.07745	5.5
203.08580	28.1
204.11209	1.2
205.12260	100.0
206.12500	1.2
215.08568	1.5
218.07318	3.1
219.13817	2.8
231.08072	12.6
233.09660	4.2
243.21191	2.3
246.06754	4.1
246.11182	1.8
247.12039	1.7
261.09143	53.1
261.18546	84.8
261.22116	15.3
262.14401	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	261.0308
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
50.45762	0.2
56.96569	2.4
60.95834	0.3
69.71529	0.6
69.71950	0.4
69.85431	0.2
71.95257	0.6
82.99856	0.7
84.96029	0.7
97.02869	0.2
97.14309	0.2
98.97590	22.5
99.97902	0.6
100.67298	0.2
100.97182	0.8
100.98027	0.5
101.00283	0.3
101.00896	4.6
102.96876	2.3
110.97577	0.7
112.99148	0.4
116.98629	7.1
117.99007	0.2
118.98274	0.2
119.01931	4.7
120.97925	0.9
124.99038	0.2
127.02380	0.2
128.98616	0.4
131.03859	0.2
134.99692	1.3
140.98726	1.4
142.40996	0.2
143.00209	0.3
143.01872	0.2
145.03439	0.7
152.98570	0.3
157.01862	0.2
157.14012	0.2
158.01152	0.2
158.99831	4.7
161.01286	0.2
161.02924	0.3
170.99638	0.6
171.01387	0.7
173.01265	0.5
175.03036	0.4
176.93575	0.4
177.00963	9.5
182.99855	1.6
189.00787	0.7
189.02473	0.9
191.02542	0.2
199.03075	0.4
201.00935	4.5
201.02538	0.2
208.02078	0.2
214.96480	0.7
217.04100	2.0
219.02008	15.5
220.02344	0.3
225.00897	3.1
237.02843	0.2
237.98784	1.1
240.00854	0.2
242.98396	0.5
243.02017	14.4
256.96671	0.4
260.99792	6.9
261.03067	100.0
262.03278	1.3
263.03400	0.4
278.96866	2.6
279.00647	6.4
279.03729	0.5
284.01788	0.3
284.04547	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1971
Annotation	Lys Leu
Peak:m/z	Relative Intensity
55.05502	0.3
56.05039	2.7
66.29095	0.2
67.05516	1.0
69.03439	0.3
69.07063	0.4
70.06590	2.2
70.17178	0.5
70.17567	0.5
72.08163	0.4
82.06589	0.3
83.06109	0.9
84.04506	2.4
84.08147	100.0
85.02920	0.3
85.08466	1.5
86.09708	7.5
94.06543	0.3
96.08147	0.3
97.02898	0.5
100.07619	0.6
101.07092	0.3
101.10786	2.5
102.09181	0.4
109.02880	0.8
111.09157	0.3
112.07572	0.4
116.07069	1.8
117.07404	0.6
128.07088	1.0
128.10675	0.6
129.04820	0.4
129.06583	0.2
129.10249	12.3
130.05013	2.8
130.08646	4.4
132.10170	0.6
147.07642	3.5
147.11290	7.7
149.65477	0.3
157.04300	0.6
183.08295	0.4
196.09677	0.4
197.16496	0.6
198.10661	0.5
214.10727	0.9
216.11668	0.5
224.09192	0.6
226.14406	0.3
232.11874	0.3
242.10190	1.7
242.14977	0.9
242.18660	1.1
243.13301	0.6
243.17070	8.4
260.02512	0.2
260.05344	0.6
260.11285	3.0
260.16263	0.9
260.19708	23.1
274.18362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
54.87020	1.5
55.05500	6.0
57.07060	2.0
59.15215	1.5
60.00824	1.6
67.05504	31.2
68.02608	1.7
68.93182	1.5
69.03368	1.8
69.07068	29.7
69.86315	1.6
70.06573	4.6
70.17120	6.5
79.05493	100.0
81.03380	3.1
81.06593	2.2
81.07060	40.8
82.06543	3.1
83.04964	2.8
84.08138	2.6
86.09686	6.7
91.05479	68.1
93.07043	28.3
95.04964	20.5
95.08611	2.7
97.05295	2.0
97.06528	5.6
98.06068	7.9
105.07032	71.4
107.04976	12.1
107.07874	3.5
107.08597	67.3
109.06473	3.2
110.06053	2.6
117.07002	7.3
119.06081	1.7
119.08579	38.2
121.06499	5.2
121.10137	3.5
124.07608	2.2
129.06992	7.3
131.08557	17.9
133.06456	4.8
133.10133	30.1
136.07565	2.4
142.07761	4.5
143.08566	2.1
145.10132	12.1
147.08069	9.5
147.11685	83.6
148.07491	2.0
149.13242	2.8
153.11505	3.9
157.10127	7.2
159.11711	8.8
161.13266	2.9
162.80653	1.8
163.92532	1.7
167.12975	1.8
169.10152	2.0
175.11180	30.1
176.14378	2.1
187.11217	4.0
192.13814	5.2
204.13843	29.1
260.17148	3.4
260.20090	62.3
260.23187	3.4
260.23846	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	260.1648
Annotation	Huperzine H
Peak:m/z	Relative Intensity
50.31113	0.7
51.94870	0.7
53.03952	4.5
53.52882	0.8
55.01884	1.8
55.05521	5.3
58.06610	2.3
65.03935	2.3
67.05511	25.4
69.07083	3.8
69.65972	4.1
79.05502	100.0
81.07066	40.8
81.49529	0.8
83.05000	1.6
86.06078	50.7
91.05490	54.4
93.07050	10.3
95.04982	27.9
95.08575	0.8
97.06532	3.1
97.42471	0.8
98.21404	1.8
103.05476	1.1
105.04522	1.3
105.07040	53.1
107.04961	17.0
107.05640	1.4
107.08604	52.0
109.06520	2.4
115.05452	1.6
115.57285	0.8
117.07005	3.1
119.04974	1.2
119.06096	1.8
119.08596	18.6
121.06525	3.9
123.11703	0.8
126.05479	0.7
128.06213	1.8
129.07037	6.8
131.08571	6.2
133.06497	3.9
133.10147	17.9
141.06961	1.2
142.07773	2.9
143.08632	0.9
145.10132	2.1
147.08054	11.1
147.11700	29.5
147.24327	0.9
157.10143	6.6
175.11220	9.4
184.02666	0.7
203.58020	0.8
249.06801	0.8
260.16495	4.1
260.20102	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	260.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
53.03947	1.7
55.01872	0.6
55.05515	3.1
57.03432	0.4
57.07069	0.5
58.06606	1.5
59.05015	0.6
59.54092	0.2
59.93459	0.2
65.03940	2.2
67.05509	19.8
69.03431	7.4
69.07071	3.6
69.50096	1.9
77.03905	0.7
79.05499	100.0
81.03413	1.2
81.07063	21.9
82.06582	0.3
83.04976	1.0
83.97746	0.3
84.04519	0.3
86.06072	10.4
87.04486	0.4
91.05486	53.3
92.06261	0.9
93.07044	13.1
93.07637	0.7
95.04974	9.7
95.08601	0.7
97.06554	2.2
98.20785	0.5
103.05470	0.9
105.04524	1.1
105.07038	60.3
106.04140	0.4
107.04961	5.6
107.08599	64.8
108.08153	1.7
108.08801	0.3
109.06540	2.6
111.77157	0.3
115.05472	0.8
117.07018	4.1
119.04951	1.2
119.06112	1.9
119.08591	20.2
120.05717	1.6
121.06511	1.6
121.10155	0.5
124.07630	0.9
125.08368	0.5
128.06232	0.8
129.07016	4.0
131.08583	6.5
133.06503	3.1
133.10139	10.3
136.07574	0.8
137.09636	0.7
141.06975	0.4
142.07803	2.4
143.08531	0.7
145.06502	0.4
145.10124	3.9
147.08061	3.8
147.11694	76.1
150.09149	0.4
157.10144	3.6
159.11668	1.6
159.44011	0.3
161.13277	0.8
164.10696	1.7
166.80031	0.3
169.10138	0.3
174.12823	0.4
175.11195	13.6
186.12889	0.8
187.11168	0.4
204.13855	7.7
205.11020	0.9
211.47704	0.3
230.37822	0.3
232.16954	0.7
260.16483	26.8
260.20093	1.7
260.28458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1608
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
51.35163	1.0
53.03664	1.1
53.03954	1.2
56.05041	7.5
56.96558	1.6
58.06601	2.2
66.47327	1.0
67.10474	1.2
69.03433	1.5
69.07079	2.6
70.06586	4.6
71.24223	2.4
72.08147	3.8
74.02435	1.6
79.05446	1.2
83.06112	44.6
84.04515	69.5
84.08155	34.4
85.02891	1.6
85.04824	1.4
85.08408	1.1
86.09716	100.0
88.04022	1.3
98.06059	1.2
98.97569	3.1
101.07176	7.8
109.02874	4.3
109.68888	1.0
114.05468	1.4
121.06490	1.6
129.06612	5.3
129.10275	7.1
130.05029	1.6
130.06499	1.6
130.08623	5.3
132.10223	29.1
136.82069	1.0
141.05510	2.5
141.06564	2.5
143.11819	6.0
147.11333	6.2
157.13373	13.3
160.07619	2.1
163.03854	1.2
171.11279	2.7
185.12860	6.4
189.12407	2.2
196.14474	8.0
197.12891	24.9
204.13850	1.4
213.10205	1.3
214.05515	1.6
224.09251	3.3
225.10271	2.0
225.12381	2.7
234.99106	1.4
235.52664	1.1
242.15059	65.5
243.10947	2.1
243.13435	37.1
243.17221	2.6
260.06335	2.1
260.10751	2.0
260.13742	2.7
260.16190	2.6
260.19730	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01870	1.5
55.05507	7.4
56.22826	0.7
57.03429	1.1
65.03933	0.8
67.05492	2.8
69.03447	1.6
69.07058	0.9
70.06578	2.0
70.49986	2.4
72.08160	52.2
73.02843	0.7
79.05500	45.7
81.07063	14.1
83.04990	12.3
84.08134	2.1
85.02437	0.6
85.02917	4.1
86.09681	0.9
91.05473	1.2
93.03380	3.5
95.04965	3.4
95.08623	1.2
97.06544	3.7
98.06075	1.2
105.07013	0.7
107.04964	52.4
107.57388	0.8
109.06527	5.1
111.04455	6.7
115.05069	1.4
121.06512	1.6
125.06001	11.6
129.05489	7.3
129.10236	1.0
130.05013	0.8
130.06523	3.6
134.06029	3.0
135.04431	47.9
140.07047	1.3
146.06000	2.1
148.59491	0.8
151.07579	1.0
152.07117	0.8
153.05479	14.4
157.07658	1.2
161.09720	0.9
170.06096	1.0
171.06535	5.8
178.12283	3.1
180.13812	6.5
182.11754	1.5
196.13268	1.5
206.09958	1.3
206.11787	16.0
214.14388	1.4
224.12851	8.9
242.05336	2.5
242.09193	4.2
242.13889	100.0
260.06497	7.5
260.08975	0.9
260.10550	1.5
260.14868	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	260.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84737	1.4
56.96569	33.7
57.03426	4.5
58.06593	6.7
60.04515	2.3
61.02927	3.5
62.17616	1.3
65.88829	1.4
69.03442	9.0
69.07061	1.6
69.67879	3.2
69.68296	6.1
70.06591	9.2
70.98097	2.1
71.04996	2.7
71.95259	1.6
72.08164	14.5
72.96075	1.7
73.02912	3.5
81.03415	4.3
84.04492	5.6
84.08153	74.2
84.96036	8.1
85.02917	19.6
85.08487	2.4
86.09718	21.0
87.04485	1.9
91.05485	1.8
95.06133	1.8
97.02905	9.7
97.99165	1.3
98.97593	100.0
99.97929	1.6
100.02218	8.2
100.99136	1.9
101.02522	3.5
101.10774	2.5
102.96889	3.2
109.02897	3.1
110.97572	15.9
112.00729	2.0
112.99169	2.5
115.08652	1.9
116.98637	31.2
120.88133	1.4
121.02850	3.4
121.06528	2.8
122.85856	1.4
124.99122	3.1
127.03933	6.3
128.98604	8.5
129.10269	12.7
130.01810	2.8
130.05057	2.2
130.06517	2.6
130.08652	10.2
131.00270	2.8
134.99701	6.9
135.04478	2.0
140.00204	3.0
140.95657	1.5
140.98590	2.9
143.00206	9.7
143.01668	3.0
143.11784	4.1
145.04987	2.7
146.02722	7.8
146.99657	3.3
147.03043	6.7
147.07648	3.2
147.11288	9.5
155.99574	1.9
157.07639	2.6
158.01285	3.6
158.99693	15.9
161.01294	2.0
161.02924	1.6
162.99205	1.6
163.03923	4.5
169.01756	2.1
170.01173	3.2
170.04160	2.1
170.99643	6.4
171.01152	7.9
174.00716	2.1
177.00757	16.3
185.12828	3.0
188.02316	6.5
189.00752	7.0
190.03914	1.7
191.02057	1.7
194.03412	3.6
194.99673	6.4
195.01733	4.2
200.02423	2.6
201.00662	2.5
206.03430	2.1
206.77153	1.5
212.98987	1.7
213.00749	8.7
214.07280	2.3
214.10765	1.7
218.03418	3.7
218.06883	1.6
219.01730	9.9
230.03468	4.4
231.01770	3.5
232.73492	1.5
236.04552	1.6
236.98689	2.8
237.00674	6.2
237.02832	20.6
242.15013	2.0
243.16983	5.2
248.04456	2.2
255.01700	5.6
255.03964	10.6
255.14262	1.9
259.99979	2.4
260.04486	2.7
260.07669	7.3
260.10709	2.5
260.19724	17.0
261.02789	3.2
278.01041	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	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03930	2.8
55.05512	9.6
57.07059	2.4
67.05500	8.6
69.06728	2.9
69.07070	36.3
69.19608	14.4
69.20020	4.6
71.04997	34.9
79.05483	7.8
81.07069	22.2
83.04969	6.9
83.08611	7.9
85.06551	23.1
91.05476	10.9
93.07058	21.8
95.04963	5.3
95.08607	19.9
97.06528	7.9
99.08072	3.0
105.07030	30.5
107.08597	19.5
109.06499	10.2
109.10155	17.0
111.08066	18.7
117.07022	9.2
119.06065	2.3
119.08590	57.1
121.10152	11.5
123.08044	2.5
123.11703	23.6
129.07042	3.5
131.08591	17.2
133.10135	39.7
135.08057	21.0
135.11674	6.2
137.09634	5.3
142.07841	2.6
143.08577	8.9
144.09369	3.5
145.10123	32.3
146.11061	2.3
147.11700	19.5
149.09634	3.1
149.13171	3.1
151.11174	1.9
156.09351	4.3
157.10168	13.4
158.10928	2.3
159.11697	35.2
160.12473	3.6
161.09641	2.1
161.13269	37.8
163.11208	3.0
170.10875	2.9
171.11671	17.2
173.13275	8.0
175.11273	3.6
175.14835	100.0
176.15602	5.8
177.12756	3.2
177.16377	2.2
185.13290	13.8
187.14838	2.3
189.12782	6.2
189.16396	5.9
190.13493	2.2
199.14877	5.9
201.16388	22.7
203.14337	9.2
215.17993	6.8
217.19476	2.3
239.62062	1.8
241.19472	14.6
259.20599	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
54.18564	0.7
55.05516	31.5
57.07079	21.7
58.06587	1.6
61.02924	1.8
67.05505	1.1
69.07075	22.0
69.90941	2.9
71.08623	2.0
79.05512	0.8
81.07057	8.4
83.08626	100.0
91.05507	0.8
94.59340	0.7
95.08633	1.3
97.10179	16.0
98.21561	0.9
119.08634	0.8
120.64810	0.9
122.13111	0.7
123.14186	0.7
132.97624	0.6
137.05984	4.7
139.14830	1.3
139.39941	0.7
149.49864	0.8
150.24184	0.6
151.07620	1.1
154.94183	1.4
169.03519	1.8
170.03719	0.9
171.08093	1.5
171.11893	0.9
172.95380	0.9
175.07568	1.1
177.09192	1.3
189.09111	1.7
202.07820	1.3
203.08725	0.8
203.10706	2.7
231.08162	1.9
259.07892	4.4
259.11414	1.5
259.16989	6.9
259.19699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	13.6
56.96571	3.5
57.07078	19.4
58.06598	10.3
67.05500	9.6
69.07075	100.0
70.61095	6.7
70.61421	7.5
71.05002	19.9
79.05495	9.2
81.07057	10.4
83.08624	26.7
84.96024	13.1
89.06037	11.7
91.05486	16.6
93.07033	9.7
95.08582	10.5
97.06515	4.8
105.07024	7.8
106.03421	3.4
107.08573	8.2
108.82273	3.1
109.10139	6.9
111.11710	3.7
113.06006	13.7
117.06989	4.6
118.06745	3.6
119.04928	17.0
119.08576	5.9
125.13275	16.1
127.00718	4.0
130.14828	3.3
131.08524	4.3
132.46722	3.1
133.10141	3.8
135.04416	15.0
135.11667	6.4
145.10078	4.5
147.04424	47.9
153.12712	21.1
171.13794	8.1
171.36148	3.3
173.05936	4.7
203.08606	4.2
231.08098	7.3
241.27069	4.5
259.05896	10.7
259.13416	5.0
259.20874	3.7
259.28244	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	259.1695
Annotation	(E)-2-(1,5-Dimethyl-1,4-hexadienyl)-5-methyl-phenol acetate
Peak:m/z	Relative Intensity
55.05518	10.4
57.07065	2.3
67.05489	2.0
69.07074	86.2
71.52179	1.9
71.52551	1.8
83.08623	30.9
84.35857	1.9
91.05465	1.7
92.93378	1.3
95.08601	1.4
97.10191	10.8
99.54939	1.4
103.56238	1.4
105.03391	3.8
105.07040	2.0
115.05458	3.3
117.06985	1.9
117.72031	1.3
119.08533	2.7
120.23950	1.3
128.06241	6.6
129.07022	7.6
131.08551	4.7
131.44647	1.4
137.05989	5.0
142.07782	5.7
143.04880	2.2
143.08583	17.1
145.06500	4.3
145.10144	2.0
151.07507	2.7
157.06529	12.6
157.10136	7.8
158.07246	5.3
159.08092	8.7
160.05203	4.5
160.08881	2.3
169.06526	2.5
170.07358	1.8
171.08063	23.2
172.08841	2.1
173.05972	3.1
173.09680	2.2
174.06770	3.1
175.07573	19.2
175.11234	5.3
176.08325	7.7
177.09174	1.6
183.08075	1.9
185.09642	18.6
187.07585	3.7
188.08389	12.3
189.09131	28.0
190.09912	19.7
191.10683	23.2
198.22211	3.2
199.11235	2.5
199.14861	1.7
201.09059	10.2
202.07846	5.4
202.09924	5.9
203.08603	12.4
203.10640	60.9
212.11913	1.8
216.11481	8.8
217.12300	7.7
227.14314	12.6
231.08107	15.9
259.07568	20.4
259.09857	2.1
259.16962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04564	0.3
53.03932	0.4
55.01871	0.5
55.05514	0.5
56.05037	2.0
56.96565	2.0
57.03434	0.7
60.08159	0.7
61.02923	0.7
65.03938	0.3
69.03431	1.8
70.06603	2.8
70.40987	0.4
70.98127	0.5
71.05013	0.5
71.06925	0.3
71.52603	0.4
71.55412	0.3
72.08157	0.8
73.02916	1.1
81.03427	0.6
81.07052	0.4
82.06569	0.6
83.06116	0.5
84.03983	0.4
84.04510	19.8
84.08145	77.4
85.02900	3.2
86.09702	2.2
91.05478	0.8
95.06111	0.5
96.04500	0.4
97.02906	2.2
98.06093	0.4
98.97595	3.6
98.98254	0.5
100.02206	1.3
101.00845	0.4
101.10768	1.9
101.11334	0.3
102.05564	0.6
103.03940	0.5
104.10746	11.1
109.02892	0.6
110.07164	1.3
110.97564	0.5
111.09205	1.0
112.05124	2.0
112.07618	0.5
116.98598	0.7
119.01912	0.4
119.04945	0.5
124.99145	0.6
124.99998	2.3
126.05531	0.4
127.03920	1.2
129.10245	100.0
130.05020	5.3
134.99619	0.5
135.04449	0.7
137.05998	0.8
139.03879	0.3
143.00137	0.5
145.02789	0.6
145.04971	0.5
146.02678	1.0
149.10646	0.4
152.02315	0.4
155.04691	0.9
158.97417	0.5
161.02983	0.6
163.03915	3.4
168.05496	0.6
177.00702	0.4
177.04077	0.4
177.05940	0.6
184.07336	1.3
185.02979	0.4
191.03813	0.4
193.00230	0.4
194.12880	0.5
194.15457	0.5
195.11263	2.8
197.16238	0.4
206.03278	0.5
212.13951	0.5
215.03763	0.6
222.14960	0.7
231.01787	0.5
234.99168	0.7
237.05891	0.4
240.13417	2.7
240.15857	0.7
241.11812	1.3
249.02702	0.8
251.03960	0.4
258.00739	0.7
258.10947	2.8
258.14459	8.0
259.07513	0.6
269.05032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1242
Annotation	L-Alanyl-L-tryptophan anhydride
Peak:m/z	Relative Intensity
54.95591	0.3
55.05525	0.4
58.06596	0.4
67.39466	0.3
68.05027	0.6
69.66161	1.7
70.06590	1.1
72.08163	2.3
72.93789	0.6
83.06109	1.0
84.08151	1.4
85.54937	0.3
86.09736	1.6
91.05486	6.4
94.23588	0.3
95.06103	24.1
98.21482	0.7
98.97573	0.3
104.10762	1.0
110.07140	0.4
112.08742	50.6
119.04957	21.8
124.03946	0.5
129.10263	0.7
132.95847	0.8
138.06651	3.3
147.04424	100.0
148.04787	0.5
155.01630	0.4
158.97447	0.6
163.03952	2.2
186.96809	0.3
213.05424	0.4
215.04071	0.7
216.98094	0.4
230.05452	0.5
230.24812	0.3
231.01784	0.4
234.99078	1.6
240.11293	2.6
241.04901	1.3
249.02872	0.4
258.00653	0.7
258.12418	40.9
258.16943	1.4
259.06067	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	257.1903
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03946	0.7
55.01884	0.7
55.05516	3.5
57.03430	0.5
57.07077	1.0
59.04992	0.6
65.03917	0.5
67.05513	5.3
69.03435	0.7
69.07078	3.9
70.06593	0.5
71.04996	4.3
72.08154	0.5
79.05501	6.2
81.07057	4.7
83.04990	1.3
83.08596	2.2
85.06548	3.8
88.07642	1.0
91.05489	8.4
93.07050	15.9
95.04983	3.8
95.08612	10.4
97.06524	1.0
99.08094	0.9
103.05486	0.7
105.07043	20.8
107.08600	14.4
109.06530	6.1
109.10166	10.7
111.08094	3.4
115.05450	1.3
117.07027	5.0
119.06144	0.4
119.08594	19.3
121.06545	1.1
121.10155	63.9
123.08080	3.4
123.11701	1.3
125.09563	0.6
128.06258	1.8
129.07034	3.5
130.07788	1.0
131.08578	11.5
133.07632	1.1
133.10139	11.2
135.08064	22.4
135.11676	3.5
137.09634	6.1
141.06973	1.3
142.07793	4.9
143.08569	14.0
144.09366	2.5
145.10143	14.6
146.11012	0.6
147.08078	1.3
147.11684	3.0
149.09631	3.6
149.13393	0.5
151.11224	1.4
153.07025	0.9
154.07732	0.9
155.08589	3.7
156.09375	3.4
157.10150	19.9
158.10931	3.8
159.08054	0.9
159.11710	18.0
161.09668	2.1
161.13264	1.7
163.11201	4.7
167.08640	0.6
168.09390	1.9
169.10146	7.7
170.10881	1.7
171.11703	10.8
171.13148	0.7
172.12444	0.8
173.09660	2.4
173.13286	22.8
174.14067	2.7
175.11192	2.1
175.14767	2.1
177.12776	1.7
181.10066	0.7
182.10941	0.7
183.11708	9.2
184.12462	2.6
185.13284	2.4
187.11195	5.3
187.14861	4.2
188.11870	0.6
189.12810	2.0
193.01694	0.7
195.11722	1.4
196.12363	0.7
197.13278	8.7
198.14108	0.7
199.14836	29.5
201.12759	8.1
209.13257	1.8
210.14069	1.2
211.14847	1.1
213.16399	9.9
214.13148	0.4
214.17209	2.3
215.14400	1.9
215.17969	8.0
224.15627	1.9
227.14268	0.5
229.06140	0.4
229.19583	0.6
239.17975	13.7
242.16624	0.5
257.19028	100.0
257.26584	8.3
258.19409	0.6
258.27960	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90718	0.2
54.98663	0.3
56.96571	9.7
69.03392	0.3
69.85071	1.3
71.95274	2.7
77.18754	0.3
86.70142	0.3
98.21481	0.3
98.97594	100.0
101.23329	0.2
116.98631	29.8
130.93324	1.4
134.99677	5.5
136.93163	0.3
140.00200	0.7
151.98775	0.3
154.94254	0.5
172.94354	5.0
190.95415	2.1
197.95204	0.3
208.96555	0.2
212.93640	0.2
214.95406	3.0
230.98627	0.3
232.96457	4.3
233.00287	0.3
234.04968	0.3
245.76178	0.2
250.97455	1.5
256.96466	12.3
262.18173	0.2
274.97531	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	256.965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40269	0.3
54.98651	0.4
55.95774	0.3
56.96574	11.3
65.80620	0.3
69.03427	0.5
70.14359	0.9
71.95276	3.1
73.02919	0.4
77.77586	0.3
84.08161	0.7
85.02914	1.1
85.66348	0.3
86.09722	0.6
97.02937	0.5
98.97597	100.0
112.99163	0.3
116.98638	29.6
119.01894	0.8
123.05547	0.4
130.93333	1.1
134.99675	4.7
140.00157	0.7
147.03128	0.4
154.93326	0.6
156.03612	0.3
163.04437	0.6
172.94363	5.6
182.03407	0.4
190.95444	2.0
208.96588	0.4
211.03807	0.4
214.95425	3.2
219.01717	0.5
232.96500	4.1
234.10201	0.4
250.97578	1.2
256.96478	13.0
274.97546	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
52.21394	1.2
53.03944	2.1
55.05502	4.8
57.03439	1.7
67.05509	18.0
69.03422	1.8
69.07066	6.5
70.77543	2.1
70.77860	1.6
71.04993	4.7
73.84775	1.2
79.05494	10.4
81.07053	10.8
83.08610	2.4
85.06557	3.0
91.05487	17.2
93.07044	18.5
95.04960	4.4
95.08622	8.4
97.10181	1.3
99.08051	1.5
105.07036	25.2
107.08601	13.5
109.06529	5.2
109.10164	10.8
111.08081	3.7
115.05525	1.7
117.07023	23.1
119.08591	21.0
121.10152	76.1
123.08071	3.0
125.09631	2.1
125.90846	1.4
128.06227	4.9
129.07007	15.8
130.07806	3.6
131.08578	42.4
133.10164	8.7
135.08075	20.0
135.11699	4.0
137.09622	6.0
141.06992	5.9
142.07799	5.1
143.08566	23.0
144.09351	2.2
145.10129	45.9
147.08096	1.8
147.11696	3.9
149.09605	3.7
151.11230	1.6
154.07858	1.6
155.08598	9.8
156.09332	3.3
157.10133	23.2
159.08043	3.0
159.11697	25.1
161.09648	2.7
161.13306	2.3
163.11188	3.8
167.08540	1.4
168.09270	3.2
169.10138	13.3
171.11694	20.6
173.13292	20.0
175.11195	4.2
177.12781	2.1
182.10934	2.0
183.11684	18.2
185.13220	1.9
187.11209	3.7
187.14812	3.0
193.01773	5.7
195.11720	1.9
196.12482	1.6
197.13309	10.1
199.13007	1.5
199.14847	30.5
201.12798	6.0
208.60974	1.4
211.02783	3.4
211.14836	4.0
213.16437	7.7
215.14383	2.2
215.17950	5.4
224.15712	1.6
229.19566	2.1
239.17964	27.7
257.11636	2.2
257.15665	3.1
257.19034	100.0
257.26706	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	256.2274
Annotation	Andrachcine
Peak:m/z	Relative Intensity
51.44193	0.5
53.03926	0.5
55.01879	25.5
55.05517	19.4
57.07077	4.3
62.56927	0.7
67.05512	3.9
69.07076	18.3
69.85076	2.9
71.04998	1.2
71.08630	1.6
72.08163	16.0
73.29609	0.6
79.05493	3.9
81.07068	6.4
83.04964	0.5
83.08629	29.7
85.06539	1.2
88.07658	0.7
89.06042	0.6
89.43182	0.5
91.05471	0.8
93.07054	5.3
95.08603	1.4
97.06531	3.4
97.10184	7.9
98.20831	0.7
99.94470	0.6
107.08605	5.3
109.10208	0.7
111.08072	1.8
120.47112	0.6
121.10134	1.7
125.32544	0.5
149.13269	2.7
167.14333	37.7
168.14612	0.7
194.39339	0.6
200.24692	0.5
238.21680	100.0
239.21968	0.5
256.22760	4.2
256.26370	4.1
256.29822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2637
Annotation	Palmitic amide
Peak:m/z	Relative Intensity
51.05635	0.5
53.79708	0.5
55.05280	0.6
55.05518	9.7
56.05033	1.5
57.07080	6.0
57.45313	0.6
63.97795	0.6
67.05499	1.5
69.07076	9.6
69.31382	4.9
70.06596	8.0
71.08620	2.5
81.04931	0.6
81.07069	1.5
83.08640	5.9
84.08148	9.7
85.10188	1.2
95.08603	1.0
97.10164	2.7
98.09682	1.5
98.20764	0.9
111.11684	0.9
238.25307	2.0
256.26373	100.0
257.26697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.05517	9.8
56.05046	1.6
57.07082	5.3
66.40706	0.3
67.05516	1.7
69.07078	9.3
70.06602	9.3
70.76745	0.6
71.07369	0.2
71.08636	2.5
81.07063	1.6
83.08629	6.5
84.08153	10.9
85.10176	0.9
87.53475	0.2
88.07626	0.8
89.06032	0.2
95.08613	1.2
97.10181	3.4
98.09717	1.3
102.09168	0.4
109.10124	0.3
111.11711	0.6
112.11246	0.3
116.10761	0.4
125.91119	0.2
130.08253	0.2
133.10225	0.2
151.57663	0.2
160.82256	0.2
175.19688	0.2
195.74121	0.2
238.25348	2.2
256.26376	100.0
257.26660	0.3
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
51.51144	0.2
53.03948	0.6
57.07079	0.1
59.96892	0.1
62.19820	0.2
63.01353	0.1
69.03442	0.2
70.06600	0.4
71.04995	0.5
71.43098	0.2
71.43449	0.2
72.08166	0.9
75.81894	0.1
78.03461	0.7
80.05026	3.2
84.08158	0.6
86.09726	0.3
94.02926	0.2
96.04500	1.8
96.14248	0.1
100.07617	0.4
101.06776	0.2
106.02945	0.3
110.07161	0.2
112.08690	0.2
115.08653	0.1
123.05515	0.2
124.03963	100.0
125.04300	0.4
127.02483	0.3
128.07069	1.1
131.01862	0.2
133.05000	0.4
134.39479	0.1
140.03497	0.2
140.07057	0.3
141.05449	0.2
145.03484	1.1
150.96907	0.2
166.04990	0.2
168.06548	0.2
168.13853	0.3
169.03464	1.5
182.09766	0.2
187.04547	1.2
192.05077	0.2
198.38257	0.1
204.64275	0.2
210.07724	0.2
232.99583	0.2
238.07231	0.2
256.08173	11.3
256.16580	0.5
256.26489	0.7
274.07767	0.2
277.34460	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2322
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
53.03938	4.6
55.01868	6.2
55.05513	62.3
57.07079	77.2
58.06601	5.8
60.55052	4.0
61.00422	4.1
61.41327	4.1
67.05505	32.9
69.03459	4.1
69.06736	5.2
69.07079	100.0
70.65683	12.8
71.05001	4.9
71.08640	47.3
71.72261	4.8
79.05508	22.0
81.07070	47.9
82.10600	4.3
83.04987	10.8
83.08630	81.8
85.06535	9.4
85.10194	26.8
91.05482	5.9
93.07040	44.0
95.08611	43.1
97.06549	36.4
97.10178	49.0
98.98461	18.1
107.08610	33.2
109.10162	23.3
111.08083	18.2
111.11704	11.5
115.07569	8.9
121.10136	37.4
123.11718	18.7
125.09660	21.0
129.09100	6.2
135.11705	37.9
137.13214	7.9
139.11171	14.5
149.13277	39.0
153.12738	17.8
157.10106	5.0
157.12228	6.3
163.14822	21.5
167.14317	11.6
181.15916	8.7
185.13217	4.8
185.15367	6.3
199.14819	5.6
209.11743	9.9
219.21103	63.9
237.22102	25.0
255.09903	8.3
255.17415	5.2
255.21097	24.9
256.26321	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	255.1746
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
55.05513	2.1
56.15141	1.0
56.96579	2.5
57.07080	1.7
59.05003	1.2
65.03938	1.2
66.33138	0.9
67.05502	3.3
69.03442	1.2
69.07076	5.5
71.05004	2.5
71.52483	1.4
76.93784	1.0
79.05501	4.1
81.07055	5.9
83.04997	2.4
83.08621	2.0
85.06578	1.1
91.05484	5.8
93.07051	12.3
95.08605	4.0
97.06532	8.6
98.98484	14.7
99.08076	1.3
102.67601	0.9
105.07043	11.3
107.08595	6.6
109.06532	8.8
109.10188	2.0
111.08068	1.5
115.05495	1.7
117.07023	2.9
119.08584	11.8
121.06515	1.0
121.10155	3.5
123.11729	1.6
124.07079	1.2
128.06226	2.1
129.06975	2.4
131.05028	1.0
131.08583	3.9
133.06525	6.8
133.10162	8.6
135.08098	8.9
135.11739	2.0
137.09579	1.1
139.03922	1.4
141.06999	4.7
142.07776	3.5
143.08566	11.4
145.10149	4.2
147.08009	1.9
149.09641	1.7
153.07039	1.5
154.07744	1.9
155.08563	7.9
156.09357	6.1
157.10129	11.9
159.11720	3.1
163.14926	1.1
165.07001	3.0
166.07828	1.1
167.08559	7.3
169.10136	13.8
170.10939	3.8
171.08040	2.0
171.11705	11.3
173.09756	1.1
175.03961	7.3
180.09230	2.0
181.10158	5.7
182.10919	12.7
183.11769	5.0
184.12485	1.4
185.09659	2.3
185.13234	5.3
187.11226	1.0
193.10121	2.6
195.11722	8.1
196.12521	4.6
197.13286	45.2
198.14026	3.5
199.11232	9.4
207.11748	4.4
208.12497	1.5
209.13348	3.4
211.14847	21.7
212.15601	6.4
213.12808	2.7
213.16382	21.6
214.04005	1.2
222.14052	6.5
227.14302	1.4
237.16455	12.2
240.14986	1.2
255.06543	3.8
255.10217	2.9
255.17479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1746
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
51.10105	0.6
53.03948	0.8
55.05515	3.4
55.76608	0.6
57.03431	1.7
57.07072	1.6
59.04987	0.9
60.34912	0.6
66.18102	0.6
67.05245	0.5
67.05518	4.7
69.07082	3.6
70.07513	2.4
71.04998	1.8
79.05508	4.9
81.03436	0.7
81.07059	3.7
83.04973	2.0
83.08646	1.5
84.15365	0.6
85.06542	1.6
91.05491	4.8
93.07054	7.1
95.04979	2.5
95.08602	2.7
97.06540	3.0
98.98484	6.8
99.08137	0.6
105.07045	6.4
107.08607	7.8
109.06540	2.2
109.10165	1.7
111.08090	1.4
115.05499	0.7
117.07042	1.9
119.08597	9.3
121.10187	3.0
121.67536	0.6
123.08063	1.4
127.44611	0.6
128.06248	2.1
129.07019	2.3
131.08618	3.4
131.09416	0.5
133.06538	0.9
133.10123	6.9
135.08086	3.1
135.11705	3.7
137.05986	0.8
141.07033	2.2
142.07788	4.7
143.08577	11.0
145.10127	3.8
147.08073	0.7
147.11661	0.8
149.09688	1.6
153.07063	1.3
154.07809	1.6
155.08588	7.0
156.09364	6.5
157.10144	14.3
158.10968	1.1
159.08102	0.7
159.11722	5.7
161.09656	3.3
163.11169	1.3
165.06996	2.0
166.07681	0.7
167.08563	5.4
168.09311	1.7
169.10161	10.3
170.03593	0.6
170.10922	3.8
171.08160	0.6
171.11713	22.6
172.12453	0.9
173.09647	2.0
173.13287	2.5
175.11234	2.3
179.08569	1.4
180.09380	2.0
181.10129	5.7
182.10930	9.1
183.08121	0.6
183.11711	9.3
184.12450	1.9
185.09633	2.0
185.13293	6.6
187.11165	3.0
193.10214	3.1
194.10962	1.2
195.11707	8.8
196.12486	4.3
197.09673	1.2
197.13278	37.4
198.10474	1.2
198.14064	1.8
199.11195	8.5
207.11687	6.6
208.12578	2.5
208.61923	0.6
209.13290	2.5
211.11340	1.6
211.14821	11.1
212.12022	2.4
212.15578	9.1
213.12872	7.4
213.16409	20.0
214.13631	1.4
215.06870	0.6
222.14078	5.5
225.12764	2.7
226.13623	0.7
227.14293	1.5
227.17979	1.8
237.16440	14.3
240.15057	3.0
245.24976	0.6
250.42136	0.7
255.10205	1.7
255.17499	100.0
256.17719	0.8
261.87527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44643	0.6
55.01881	0.7
55.05494	1.7
57.07081	1.1
58.06602	21.1
58.44017	0.7
59.06285	0.8
59.06943	5.4
66.49339	0.7
67.05493	1.0
69.03424	1.9
69.07056	1.6
69.20639	0.7
69.20911	7.6
70.06599	0.9
72.08136	1.1
75.42648	0.7
79.05463	1.1
80.05838	1.0
81.07055	2.3
83.04961	0.8
83.08630	1.2
84.08144	1.3
85.02914	1.5
91.05479	1.4
95.04984	0.8
95.08610	1.1
97.06537	0.7
98.21528	1.9
98.98465	4.7
103.05498	1.0
104.05817	1.0
105.07050	3.7
106.07360	2.6
107.04927	2.0
107.08610	1.0
108.04480	3.0
108.05157	0.7
108.60648	0.8
119.08480	1.0
120.08109	2.4
121.06512	1.6
122.06816	1.4
133.06436	1.4
134.06854	2.8
135.04395	1.2
135.07703	1.6
135.11702	0.9
136.08400	1.6
137.05891	0.7
141.05452	2.4
148.05188	0.9
149.05679	1.2
150.06667	3.2
151.07082	6.7
152.07921	1.3
160.07558	0.9
163.07584	9.8
164.07904	23.2
165.09122	9.2
166.09473	21.3
167.07045	1.0
181.08586	1.4
182.08980	1.8
191.07071	14.1
192.07376	63.6
193.08592	2.7
194.08966	10.3
205.10466	1.8
207.12051	1.0
209.06171	0.6
209.08099	15.7
209.13725	3.7
210.08441	73.9
237.03925	1.3
237.13150	40.4
255.14229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.138
Annotation	1,2-Dimethyl-6-hydroxy-7-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
55.01870	0.9
55.05513	0.7
57.07058	0.8
67.05498	0.5
69.07060	0.8
69.91913	0.5
69.92305	0.8
71.21602	0.3
72.04513	1.6
73.04816	0.4
79.05517	0.4
81.07066	0.6
83.04960	0.3
83.08598	0.4
93.07038	0.5
95.08611	0.4
98.20826	0.4
98.98492	1.7
115.05452	0.5
128.06232	1.1
131.08539	0.3
139.05400	0.4
141.06992	1.7
142.07764	0.6
143.08578	0.9
144.05701	0.8
152.06172	1.9
153.07010	3.8
155.08572	0.8
156.05713	0.8
157.06494	0.9
165.07016	4.2
166.07829	1.1
167.04877	0.6
167.08575	1.9
168.05771	0.4
168.62354	0.3
169.06491	3.2
169.10126	0.6
170.07222	1.5
171.08055	4.9
172.05183	1.1
179.08571	1.5
180.05701	3.1
180.09343	4.2
181.06505	4.8
182.07297	1.0
183.08096	2.9
184.05212	5.1
185.06009	0.6
185.09631	0.6
187.07553	4.8
193.06512	0.5
194.07352	1.5
195.08081	3.2
195.11708	6.6
197.05984	15.3
197.09621	4.2
198.06778	6.8
198.18588	0.5
199.07559	8.6
199.11171	0.3
199.18916	1.7
200.08292	0.7
207.08064	1.3
208.08871	2.5
209.09679	0.7
209.11699	0.4
210.06868	0.5
211.07526	5.3
211.11177	1.3
212.04700	8.3
212.08308	6.6
212.11929	1.3
213.05508	0.3
213.09116	7.0
222.10423	0.8
223.11191	8.3
223.13269	0.6
224.08371	0.5
224.11774	0.5
225.05652	0.7
225.09114	10.0
226.09793	1.7
227.07042	13.6
227.10652	0.8
227.14261	0.4
237.08926	0.4
237.12878	0.7
240.04172	0.7
240.08015	1.8
240.11464	31.6
255.06558	15.1
255.09944	3.0
255.10361	3.0
255.13815	100.0
255.25124	8.2
263.11053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00618	9.3
58.97771	8.6
70.17123	29.8
70.17454	9.7
79.55085	8.8
86.26875	9.1
94.93031	83.6
98.21972	9.5
107.23396	9.8
112.89618	64.5
164.93556	58.9
181.96127	14.1
190.94957	13.4
214.91513	9.5
218.94627	42.2
231.66147	10.2
236.95633	51.5
254.96822	34.0
255.00438	16.8
255.02917	15.6
255.06325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85732	0.3
55.01877	1.7
56.96576	1.7
57.03444	3.7
59.05014	0.4
60.93798	0.3
61.02916	0.7
69.03429	1.8
70.06607	1.9
71.01353	0.8
71.51456	0.5
73.02922	2.3
78.03457	0.8
80.05024	2.3
84.08147	5.4
84.96018	0.3
85.02906	2.5
86.04198	0.3
87.04485	0.3
87.15784	0.2
90.83496	0.2
96.04475	0.7
97.02890	1.1
98.97582	2.7
103.04001	0.3
106.02926	6.1
115.03925	1.2
116.98660	0.7
123.05562	100.0
124.03950	1.2
130.08698	1.4
133.04987	3.5
172.02730	0.4
174.55226	1.1
186.06209	0.3
190.03812	0.4
208.99780	0.6
214.03888	2.6
214.07445	0.4
228.05437	0.5
232.04938	1.6
232.08588	0.6
244.00871	0.3
255.09624	0.4
255.11960	1.3
273.11160	0.4
277.55981	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38436	0.2
54.03459	0.2
55.01876	8.2
55.05270	0.3
55.05520	4.7
57.07080	6.8
62.21655	0.2
67.05492	0.8
69.03444	0.4
69.06728	0.3
69.07077	4.3
70.32857	0.6
71.08633	0.7
72.04523	24.5
72.08179	0.3
74.09718	0.7
79.05495	0.5
81.07081	1.3
82.06582	0.4
82.32310	0.2
83.04980	0.2
83.08623	4.2
86.06055	0.6
93.07041	0.8
95.08627	1.2
97.06525	0.7
97.10163	2.8
98.20905	0.2
99.71948	0.2
100.07617	0.7
107.08593	0.3
111.08060	0.3
111.11713	0.4
114.09189	0.4
121.10148	0.6
122.35357	0.2
125.79243	0.2
128.10718	0.8
137.60704	0.2
163.14799	0.2
170.17815	0.2
180.17451	0.3
181.15913	0.5
198.18546	26.8
239.21300	0.2
254.24805	100.0
255.25104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41302	10.9
56.96556	25.2
57.03431	14.4
71.52402	20.4
78.75079	9.8
82.06590	15.1
84.08154	28.4
85.02863	21.9
95.08564	11.0
96.16777	10.5
97.02937	12.1
98.97572	11.2
98.98466	34.0
110.07160	86.7
123.05557	46.0
125.95700	10.4
137.54364	12.1
156.07689	34.5
156.58211	12.5
190.98676	13.6
208.99649	12.2
255.06232	100.0
255.14194	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	254.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90078	0.3
55.01628	0.5
55.01876	6.4
55.05518	4.8
57.07083	8.7
58.06596	0.5
67.05500	1.0
69.07071	3.4
69.93724	1.5
70.06602	0.4
71.08636	0.9
72.04525	25.1
72.08179	0.5
74.09714	1.2
79.05518	0.8
81.07054	1.5
82.06580	0.6
83.04985	0.7
83.08625	4.1
84.04480	0.5
86.06075	1.1
93.07055	0.9
95.08615	1.2
97.06557	0.7
97.10172	3.0
98.98461	1.5
100.07616	1.4
103.67074	0.4
107.08578	0.6
114.09169	0.8
121.10167	0.9
128.10732	1.9
142.12314	0.6
163.14879	0.4
166.98550	0.5
169.75638	0.3
181.15935	0.6
191.07065	0.4
198.18550	22.3
209.08037	0.5
237.22176	0.6
254.16127	2.0
254.24815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.05275	0.6
55.05516	7.7
57.07082	16.5
58.06609	1.6
58.06866	0.4
65.40636	0.3
67.05498	0.4
68.05042	0.3
69.03439	1.8
69.07077	8.4
71.08643	2.0
71.52052	0.3
72.04522	0.5
74.09714	0.6
81.07048	0.9
81.14648	0.3
82.36940	0.3
83.08626	5.9
85.10170	0.8
86.06079	4.4
86.09760	0.3
93.07042	0.3
95.08623	0.5
96.08151	0.3
97.06504	0.4
97.10172	5.0
98.98467	1.4
100.07609	0.9
107.08591	0.6
111.08041	0.3
111.11702	0.4
113.59753	0.3
134.99509	0.3
142.15919	0.5
147.17400	0.3
170.19073	0.4
180.17508	0.4
181.15907	4.0
198.18552	13.7
218.26837	0.3
226.25317	0.5
254.24812	100.0
255.25246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	7.4
55.05268	0.3
55.05513	4.1
57.07082	7.3
67.05487	0.5
69.06734	0.3
69.07081	4.5
69.50629	1.7
71.08614	0.9
72.04523	22.3
72.08140	0.4
74.09727	1.4
79.05497	0.6
81.07072	1.6
82.06570	0.4
83.08629	4.3
85.10181	0.4
86.06058	0.7
93.07029	0.7
95.08624	1.4
96.08173	0.3
97.06544	0.6
97.10182	3.0
98.98448	0.4
100.07613	0.4
105.20900	0.2
107.08613	1.3
111.08098	0.6
111.11720	0.4
111.36563	0.3
114.09134	0.3
121.10105	0.6
123.18612	0.3
127.70460	0.3
128.10719	1.0
149.37120	0.3
180.17465	0.5
181.15894	0.4
198.18555	25.1
239.21246	0.3
254.24809	100.0
255.25269	0.4
256.56952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
57.30737	0.4
58.02946	0.7
60.04527	0.4
67.05497	1.2
68.05032	0.4
69.07059	1.3
69.99179	0.4
71.52197	0.4
71.52582	0.5
79.05496	1.9
80.05014	0.5
81.03410	0.4
81.07039	1.9
82.06587	0.4
83.04944	0.5
84.08181	0.8
86.02415	0.5
86.06073	0.5
86.09723	0.4
88.04013	0.9
91.05468	0.7
93.07047	4.2
94.06556	1.0
95.08586	1.4
98.97572	0.9
98.98454	1.3
103.05491	0.5
105.07021	1.2
107.08601	2.2
108.08127	3.3
109.10136	0.7
110.09648	0.7
114.05531	0.8
119.08620	0.6
120.08097	1.1
121.10133	0.8
122.09673	5.3
123.11624	0.5
126.05514	0.7
128.07042	0.4
135.10739	0.5
135.11690	3.0
136.11223	2.1
137.13225	0.5
138.05498	1.8
140.07095	0.9
142.08612	1.1
149.50615	0.4
150.12773	2.8
151.13618	2.7
152.07027	0.5
153.07863	0.5
154.08607	1.0
156.10172	0.8
164.14362	7.3
166.08586	1.9
167.09421	0.8
168.06555	0.7
168.10210	1.7
179.14261	0.5
180.10229	3.2
181.10988	1.3
182.11771	1.0
191.07082	1.0
208.13339	2.0
209.08192	0.8
210.14909	100.0
212.16457	5.0
213.07800	0.8
222.08279	0.8
236.12892	0.7
236.17125	0.4
243.73444	0.4
254.17542	57.2
255.17728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39844	0.2
55.05508	0.7
56.58456	0.3
57.07068	0.4
57.64770	0.3
58.02956	1.0
60.04518	0.4
67.05486	0.7
68.05033	0.3
69.07050	0.9
70.06789	0.5
70.07184	0.6
76.03996	0.6
79.05489	1.8
80.05009	0.8
81.07055	1.0
83.08607	0.4
84.08193	0.5
85.71593	0.2
86.02422	0.3
88.03986	0.9
91.05463	0.6
93.07048	4.6
94.06583	0.9
95.08601	1.0
98.97588	0.4
98.98499	0.4
102.05550	0.3
105.07034	0.7
107.08598	2.4
108.08125	2.7
109.08875	0.5
109.10146	0.3
110.06048	0.2
110.09655	0.7
114.05533	0.4
114.76407	0.2
120.08069	0.5
121.10144	0.4
122.08880	0.4
122.09679	4.9
123.10439	0.7
123.11720	0.4
126.05522	0.8
128.07088	0.6
135.11700	2.6
136.11201	2.4
138.05499	2.6
140.07068	0.3
142.08629	1.2
150.12778	2.6
151.13576	3.1
152.07040	0.5
153.07915	0.3
153.12698	0.4
154.08635	1.0
156.06554	2.0
156.10210	1.0
164.14360	7.0
166.08643	1.9
167.09430	0.5
168.10211	1.8
180.10201	2.4
181.11061	1.5
182.11778	0.7
184.13240	0.4
197.31915	0.2
208.13319	2.3
209.08160	0.3
210.14905	100.0
211.15256	0.3
212.16469	3.3
222.08336	0.5
254.17532	54.2
255.17850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1389
Annotation	Tuberostemospironine
Peak:m/z	Relative Intensity
58.06604	25.9
70.81659	0.9
70.81997	1.6
72.83376	0.8
79.05480	1.3
91.05519	0.9
103.05460	1.9
105.07021	4.6
119.05007	0.9
121.06557	3.9
133.06511	3.2
134.07278	3.2
135.04428	1.3
135.08076	1.6
139.07602	1.0
148.05197	3.3
149.05956	2.1
150.06786	11.3
163.07556	31.4
165.09123	26.2
179.10724	1.4
181.08603	1.9
182.76450	0.7
191.07047	76.2
193.08630	11.0
194.05823	1.4
197.68584	0.8
201.53519	0.8
204.10170	1.1
205.11009	0.8
208.13332	3.2
209.08104	88.6
236.12827	40.0
243.74261	0.7
254.13899	100.0
261.94870	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	24.0
70.06582	0.6
70.68576	1.3
79.05486	1.0
84.09232	0.6
90.14746	0.6
91.05434	1.1
93.11753	0.6
103.05440	1.7
105.07039	3.7
106.84560	0.7
118.04195	0.8
119.04940	1.2
120.05724	1.3
121.06500	4.1
122.10262	0.6
131.04878	0.7
132.05728	0.8
133.06491	5.3
134.07227	2.2
135.04404	1.0
135.08037	2.3
136.07507	0.7
148.05203	2.5
149.05974	2.6
150.06775	12.6
151.07556	1.7
153.09119	1.0
163.07552	34.5
165.09119	28.9
175.09998	0.7
179.10648	0.8
181.08562	2.1
191.07042	75.0
193.08661	9.9
196.13397	1.0
199.07851	0.6
204.10120	1.6
206.11826	1.8
208.13359	3.7
209.08104	96.3
236.12833	43.6
254.13901	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68879	0.6
58.06604	27.2
62.06081	1.4
64.91538	0.6
69.22962	0.7
70.04185	2.8
70.06593	0.7
79.05482	2.2
81.03426	1.0
91.05506	0.8
103.05458	2.4
105.07035	4.7
110.34331	0.7
119.05000	1.0
120.05719	1.0
120.06770	0.7
121.06504	7.2
122.07301	1.0
132.05704	1.1
133.06544	4.1
134.07271	2.4
135.04439	1.8
135.08020	2.3
138.06779	0.9
139.07541	0.8
148.05208	3.5
149.05997	2.9
150.06758	12.3
151.07571	1.5
163.07553	37.0
165.09125	30.6
177.05496	0.8
181.08615	2.7
187.85916	0.6
191.07043	84.4
192.13829	1.4
193.08624	10.3
194.05785	1.8
204.10268	1.5
206.11794	1.4
208.13329	3.7
209.08105	90.2
236.12830	38.0
254.13898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
56.05010	1.1
56.96561	3.3
58.06604	1.8
60.08169	77.5
65.03944	5.3
68.99785	1.6
70.06601	9.5
70.61640	0.7
70.81478	1.8
71.06934	0.8
72.08133	0.8
73.02922	1.2
79.05499	1.2
81.07053	2.3
82.06582	1.4
84.08151	6.1
85.02910	1.6
88.04008	6.9
89.99428	0.7
91.05487	7.7
93.03413	22.3
93.48685	0.7
95.04984	1.5
95.06065	2.0
97.02921	1.6
98.06062	1.0
98.97601	1.2
98.98474	2.1
103.05486	1.1
107.04955	1.0
109.10188	0.8
110.03675	1.4
110.07175	7.0
111.00834	1.4
111.04450	13.1
115.05456	0.8
116.07105	22.3
119.04957	5.1
120.08112	1.1
121.02872	11.0
121.06508	3.2
123.04445	2.9
124.07598	3.5
124.99130	1.1
125.06005	39.3
128.07085	3.8
133.06538	1.1
134.03673	1.4
137.05986	1.4
139.03917	32.0
143.00227	1.3
149.05992	83.2
151.03918	2.9
151.07565	3.3
153.05478	100.0
155.03418	2.0
161.06038	2.9
163.03908	14.0
163.12352	3.5
165.05565	1.0
166.08607	1.1
170.03748	0.7
170.91457	1.4
177.05482	11.6
179.07025	5.0
188.92497	2.7
189.00752	0.8
190.13475	1.7
192.10191	2.0
195.06548	67.3
195.11327	1.8
205.04974	4.4
208.09706	8.4
208.14488	4.7
219.04874	1.3
223.06044	6.4
230.93459	0.9
231.01836	2.2
249.02835	2.1
254.10277	62.9
254.13950	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1025
Annotation	1-Acetyl-N-salicyloyl-2-aminopropan-3-ol
Peak:m/z	Relative Intensity
55.01872	3.3
58.06587	1.6
59.92437	0.4
60.04542	0.5
66.08964	0.4
68.05051	0.5
68.99785	1.2
69.03409	0.8
70.06593	0.5
70.96427	0.8
70.96751	0.4
72.74353	0.4
73.02929	0.7
81.07066	0.8
82.06570	1.4
82.41168	0.4
84.08147	4.1
88.03489	0.9
88.04000	10.3
91.05502	0.8
93.03403	1.0
95.04991	0.7
97.02892	1.5
97.06499	0.5
100.07650	0.7
105.07041	0.6
107.04970	0.9
109.06578	0.6
111.00803	2.1
111.04405	0.5
115.05444	0.9
121.02881	13.9
121.06514	0.9
123.04449	4.9
123.08111	0.4
124.07593	5.1
125.06004	0.5
127.03951	0.7
128.07094	5.6
131.04903	0.5
133.06520	1.0
135.04395	0.4
139.03915	23.9
149.05978	3.7
151.03944	4.5
151.07538	2.8
153.04352	0.6
153.05492	7.7
155.03436	3.2
161.06021	3.6
163.02560	1.0
163.03926	19.9
165.05453	0.6
166.08562	0.7
177.05489	8.8
179.07054	7.5
192.10234	2.4
195.06723	0.5
205.05008	8.3
208.09705	13.5
210.11305	0.5
223.06015	8.5
254.10257	100.0
255.10591	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06541	1.2
56.96583	1.2
58.06604	3.0
60.04513	2.8
61.02915	5.1
69.92853	6.3
70.06602	1.7
71.01360	8.0
75.04494	14.8
84.08134	1.6
85.02898	1.4
87.04470	3.4
89.02402	2.0
98.98466	2.9
102.46934	1.2
103.03961	20.0
120.08112	2.9
121.06551	1.6
121.08453	3.1
131.03391	3.6
159.02913	46.5
162.53047	1.3
163.07504	2.2
165.09129	1.8
167.08963	3.1
187.02370	4.1
191.07056	5.0
209.08034	6.9
219.05032	100.0
236.12892	3.0
254.13892	7.7
254.17657	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42229	0.6
55.01885	1.4
55.05532	3.3
57.07071	2.1
58.06593	0.6
60.51708	0.7
67.05508	4.3
68.06991	0.7
69.07072	6.4
70.77925	1.8
71.08634	0.7
72.46761	0.6
79.05508	3.3
81.07070	5.6
83.08619	2.5
91.05494	6.8
93.07056	5.2
95.08000	0.6
95.08613	12.8
97.10140	0.6
98.98475	34.4
101.80934	0.6
105.07034	8.1
107.04966	29.0
107.08607	29.0
109.06482	0.8
109.10177	3.2
115.05460	1.4
116.38956	0.7
117.07021	7.9
119.04929	1.7
119.08601	9.6
121.06517	3.2
121.10152	0.9
127.83437	0.6
128.06274	1.2
129.07005	1.1
131.04930	2.0
131.08609	3.4
133.06508	7.0
133.10155	6.6
141.06970	1.3
143.08527	1.0
144.05736	1.0
144.09349	0.8
145.06505	5.9
145.10162	1.7
145.58374	0.6
147.08049	5.4
147.11681	2.4
152.06259	0.9
153.06987	4.8
155.08597	1.1
156.40871	0.7
157.06494	5.1
159.08081	13.4
159.11710	5.4
161.09671	2.2
165.07024	2.7
167.08594	2.8
170.07372	0.6
171.08066	15.8
173.09621	4.6
176.98978	1.0
178.07779	1.8
179.08568	4.4
181.06511	2.5
181.15767	0.7
182.07275	4.1
182.16330	0.8
183.08066	19.2
184.08755	0.7
185.09634	6.5
186.80612	0.6
193.10086	1.6
195.08025	1.6
196.08879	2.8
197.09641	28.7
197.11450	1.2
198.10347	1.3
206.98892	1.0
209.09680	2.9
210.10458	2.9
211.11205	12.0
212.51590	0.6
221.13603	0.7
223.11165	1.3
224.11885	1.3
225.12782	1.8
230.32033	0.7
235.15117	1.2
238.13583	1.1
253.15919	100.0
253.23451	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	253.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16522	0.4
54.58965	0.4
55.05522	1.4
56.96585	0.5
57.03444	1.7
57.07075	1.1
58.06599	0.7
64.23215	0.4
67.05512	1.3
69.03437	4.4
69.07091	2.0
71.05003	0.9
71.08244	0.6
71.08638	8.8
71.52750	0.5
79.05500	6.0
81.07066	66.0
83.01343	1.6
83.08649	1.1
85.02921	0.6
85.06542	0.7
91.05493	1.1
93.07051	1.1
95.04985	0.7
95.08607	2.1
97.02889	0.5
97.06532	0.9
97.10188	0.9
98.98478	29.5
99.04485	0.8
99.08102	8.4
100.98888	0.8
101.02399	0.5
105.07030	0.7
107.08608	0.8
107.51760	0.4
109.06531	5.5
109.10165	1.2
116.99544	0.5
119.08595	0.8
121.06544	0.4
121.10168	1.0
123.11694	0.6
125.02361	4.1
131.08682	0.4
133.10136	0.4
135.11731	0.7
137.06003	4.3
137.09624	0.7
139.03877	0.5
140.01114	0.4
140.04639	0.4
141.05467	0.4
147.11682	0.5
148.03879	0.5
151.11151	0.5
153.05441	0.6
154.06255	1.7
155.07047	100.0
165.12761	0.4
174.99173	0.7
175.11118	0.4
176.98979	1.0
179.10707	0.4
183.11728	0.4
194.04544	0.5
197.11746	0.9
206.98941	0.5
217.12239	0.5
217.19568	0.6
235.13217	0.6
235.17056	0.6
235.20625	0.8
247.52853	0.4
253.08617	0.8
253.12099	1.1
253.14351	15.1
253.21704	0.6
261.20541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48003	0.6
50.77520	0.6
55.01870	1.2
55.05513	1.2
56.05034	0.8
56.96576	2.1
57.03440	1.8
57.07089	1.4
58.14225	0.6
59.05011	1.1
60.04526	1.7
60.69187	0.6
61.02928	2.2
61.08380	0.6
67.05513	1.4
67.52867	0.7
69.03442	5.3
69.07076	1.6
70.06599	3.0
70.32752	2.0
70.33106	1.0
71.05003	1.0
72.04555	1.2
72.08168	3.1
73.02926	1.9
73.06564	100.0
79.05508	1.0
79.31192	0.6
81.03436	2.0
81.07076	2.4
82.06585	0.7
84.04523	2.1
84.08163	5.0
85.02916	21.4
86.09721	2.4
86.99078	1.0
87.99400	0.6
91.05499	1.4
91.07595	5.2
93.07067	0.8
95.04961	1.0
95.08596	1.2
97.02900	5.4
98.97558	2.1
98.98477	47.7
99.04496	0.9
99.25085	0.6
105.07044	1.0
109.02905	1.7
110.07197	2.2
116.98656	0.6
120.08134	2.1
121.02879	1.0
124.77631	0.6
126.51405	0.6
127.03926	3.5
128.07098	2.5
129.10281	2.5
133.01550	0.7
136.06207	1.8
136.07614	1.1
141.05481	1.5
145.05020	2.3
146.99823	0.7
170.95607	0.6
174.99321	1.8
176.99004	0.9
182.15422	1.2
197.11726	0.8
210.18546	1.4
253.08781	1.2
253.12263	2.0
253.15746	1.4
253.22884	0.8
271.12396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1187
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
50.56700	0.4
51.12107	0.4
57.07071	0.7
60.04533	66.4
61.02935	0.5
64.55489	0.5
69.03452	0.6
70.02966	0.9
70.06612	0.8
70.10818	0.4
70.81292	0.9
72.08163	1.3
84.08159	2.1
85.02920	0.5
86.09760	0.6
87.05614	2.1
87.73223	0.5
91.05507	1.3
93.07080	1.0
94.82447	0.4
95.04971	0.4
97.02894	0.5
97.06566	0.5
98.98479	19.6
103.05444	3.2
105.07099	1.2
107.04998	1.1
110.07187	0.7
117.07010	0.5
120.08120	100.0
121.02898	0.6
128.07100	1.3
129.10306	0.8
130.06604	0.5
130.63264	0.5
131.04921	2.1
132.08134	0.7
132.45891	0.5
133.06511	0.6
136.06221	0.7
136.07553	0.5
141.05493	0.5
144.08099	2.4
149.06024	2.0
162.09192	2.2
166.08661	64.1
167.08908	0.6
174.99232	0.6
176.99092	0.8
197.11804	0.8
207.11305	15.8
219.05032	1.4
235.10826	4.2
253.11848	17.5
253.16034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1073
Annotation	Descurainolide A
Peak:m/z	Relative Intensity
52.76077	1.5
55.01881	3.2
55.05520	1.8
57.07073	5.7
58.06589	3.0
59.51103	1.6
60.48454	1.7
66.13197	1.4
67.05490	4.3
69.07058	2.1
79.05501	8.3
81.07046	4.4
83.04965	1.6
91.05481	12.2
93.07031	3.1
95.04950	1.8
95.08610	4.0
97.32796	1.4
98.21638	3.2
98.98478	65.8
98.99131	3.6
103.05468	11.2
104.06251	5.2
105.07041	64.2
106.01663	1.6
107.04946	5.4
107.08590	1.9
108.05741	3.4
109.10177	3.0
115.05451	12.9
117.07019	3.4
118.04138	5.0
119.04946	2.6
119.08603	2.8
120.05704	2.3
121.06535	14.9
122.03819	1.9
123.08078	5.3
123.11686	2.0
127.11213	1.8
131.04906	7.7
132.05717	7.0
133.06509	59.9
135.04393	2.0
135.08051	3.7
136.05205	6.5
137.05983	4.6
137.09666	2.1
138.06741	2.8
143.04951	2.7
143.06056	4.2
147.04407	3.5
147.08069	16.4
149.05962	6.5
150.06776	3.9
151.07552	64.5
160.05231	2.7
161.05997	40.8
162.06789	11.8
163.07513	3.4
163.69437	1.7
165.05510	7.9
165.09100	6.7
166.06276	3.0
167.06960	2.0
172.03824	1.6
174.99289	2.9
175.07552	11.3
176.04739	2.1
176.98993	1.9
177.05525	2.9
178.06248	5.3
179.07051	34.2
180.07619	1.7
181.04982	6.8
181.08604	34.2
190.06290	5.9
193.08620	99.6
194.04378	1.7
194.09364	2.8
196.07324	4.1
197.11705	3.4
206.05690	4.7
206.98795	2.2
207.06581	5.0
207.10257	2.0
208.07297	4.6
209.08069	3.1
211.09686	49.7
221.08104	92.2
223.09674	83.0
225.11299	2.1
235.09691	7.0
253.10709	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01877	38.7
55.05514	41.1
56.96564	0.9
57.03426	1.0
57.07079	4.5
64.86729	0.5
67.05504	7.5
69.03456	0.5
69.07072	26.9
69.21396	2.0
69.21822	2.6
71.04981	0.6
71.08640	3.4
72.04520	0.6
72.08161	26.4
79.05145	0.5
79.05499	6.8
81.03437	0.5
81.07063	12.1
83.04972	1.5
83.08624	37.6
85.06533	2.4
85.10149	1.4
91.05466	1.6
92.21851	0.6
93.07041	6.0
94.45245	0.5
95.08607	11.2
97.06527	5.9
97.10175	26.9
97.75084	0.5
98.21540	1.2
98.98474	4.2
99.08102	1.1
106.06424	0.5
107.04930	0.7
107.08599	6.7
109.10155	2.3
111.08125	3.0
111.11720	4.6
117.07020	0.7
121.10155	8.3
125.09607	0.9
127.95629	0.7
131.04895	0.5
135.11664	1.1
139.11215	0.6
145.96646	1.2
163.14841	2.8
163.97667	1.2
179.55501	0.5
181.15884	50.4
187.97647	0.7
205.98836	3.9
229.00420	1.5
234.14868	1.3
244.36790	0.5
252.23241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.2324
Annotation	DODECA-2(E),4(E)-DIENOIC ACID ISOBUTYLAMIDE
Peak:m/z	Relative Intensity
53.03952	2.3
55.01883	1.6
55.05516	9.8
56.05036	0.5
56.96555	0.9
57.07079	25.7
58.06601	0.4
65.03870	0.3
65.38806	0.3
67.05511	7.6
69.03428	0.6
69.07074	9.1
69.50392	2.5
70.06576	1.1
71.08622	0.5
72.04518	2.1
72.08174	2.4
74.09724	8.9
79.05493	3.1
81.03422	8.8
81.07066	9.2
83.04974	1.5
83.08628	5.0
84.04497	1.1
84.08102	0.6
86.06061	0.8
91.05483	1.6
93.07055	1.4
94.06542	0.5
95.04986	3.0
95.08615	10.1
97.06521	0.6
97.10175	5.3
98.06045	3.0
98.98468	4.0
100.07614	1.2
105.07036	1.3
107.04962	1.0
107.08592	1.1
109.06496	0.9
109.10178	2.3
111.11703	0.5
112.07591	1.2
115.95242	0.4
117.07040	0.8
119.08567	1.7
121.10136	0.6
123.08054	0.7
126.09134	1.3
128.10738	0.8
128.14328	0.6
133.10126	0.7
135.11728	0.9
137.09615	0.5
137.13249	1.5
140.10716	0.5
142.12263	0.8
145.96626	0.9
154.12270	0.8
156.13837	1.1
161.13245	1.5
163.97722	0.8
168.13870	0.5
170.15448	1.0
179.14244	1.7
182.69620	0.3
192.06570	0.4
196.06047	0.4
196.16998	2.8
205.98798	3.4
210.22124	0.4
229.00433	1.4
234.14948	1.4
252.12263	0.9
252.23244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.2324
Annotation	dodeca-2E,4E-dienoic acid isobutylamide
Peak:m/z	Relative Intensity
53.03936	0.9
55.01871	0.9
55.05514	11.7
56.96569	0.8
57.07080	25.1
58.06594	1.4
58.92606	0.6
61.56157	0.5
65.11408	0.5
66.83868	0.5
67.05508	7.6
68.02628	0.7
69.03088	0.6
69.03434	9.0
69.07072	16.1
70.06581	1.1
71.08618	1.9
72.04528	3.9
74.09725	4.0
75.62746	0.6
79.05483	0.7
81.07063	11.0
83.08629	9.7
84.04516	2.4
84.08134	0.6
85.05293	5.3
86.06064	3.1
90.13289	0.5
91.05490	0.8
93.07027	1.1
95.08617	13.0
97.10182	8.4
98.06067	12.3
98.21606	1.2
98.98479	4.2
99.06810	1.0
100.07579	0.7
105.07043	0.9
109.06519	0.9
109.10140	2.1
111.11729	1.8
112.07618	0.9
112.79256	0.5
119.08591	0.9
123.08102	0.7
125.06033	0.7
126.09162	15.7
128.10719	1.1
135.11684	0.7
137.13277	3.0
140.10661	0.5
141.11513	4.0
142.12241	1.2
143.90022	0.7
151.14853	0.5
154.12306	1.1
165.24242	0.5
182.15422	0.6
196.16943	1.6
205.98840	1.6
206.31297	0.6
209.05911	0.6
229.00293	1.0
252.07916	1.1
252.12245	1.7
252.23247	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1959
Annotation	CHEBI:70402
Peak:m/z	Relative Intensity
52.87914	0.5
55.05518	9.6
55.05777	0.4
56.96553	0.6
57.03435	0.6
57.07084	7.4
68.05033	40.1
69.03423	1.0
69.07071	7.7
69.67020	2.0
69.67432	0.7
71.08633	0.5
72.08128	0.6
79.05502	1.6
79.06989	0.4
81.07058	3.0
82.81248	0.5
83.08623	40.6
84.08120	0.6
86.06059	0.8
88.50372	0.4
91.05489	1.1
93.07044	1.4
95.08641	0.5
97.02892	1.0
97.10179	4.7
98.97605	2.4
98.98466	3.8
103.05452	0.5
104.03474	1.6
106.06571	0.8
107.04967	2.4
107.08573	0.5
111.17216	0.6
114.05536	100.0
121.02989	0.5
131.04916	1.1
139.14836	1.1
149.06027	0.6
158.99637	0.8
177.00740	0.8
185.03889	0.6
192.06544	1.1
192.08838	1.6
193.08421	0.6
195.07790	1.3
206.08142	0.8
220.08408	1.0
229.07278	0.5
252.09128	3.9
252.12241	2.1
252.19597	45.4
272.60818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1234
Annotation	Rigidiusculamide A
Peak:m/z	Relative Intensity
58.58154	0.2
65.03954	0.3
70.06611	1.0
70.82619	0.6
71.05015	1.0
77.36861	0.2
88.07640	3.9
91.05490	5.4
106.08679	6.9
114.25182	0.2
119.04954	19.0
147.04422	100.0
163.03978	0.3
201.12865	0.2
234.11293	1.7
252.12355	5.1
260.66873	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.5
55.05510	6.6
55.55262	0.6
56.05042	0.8
57.03441	2.2
60.63584	0.6
65.03964	3.3
67.05511	96.2
68.05045	4.7
69.03438	1.9
69.07072	1.1
70.06612	1.4
70.40521	1.6
71.07381	3.0
72.08163	49.3
79.05501	47.4
81.03429	7.0
81.07085	1.1
83.08610	4.5
91.05489	24.0
93.07043	4.9
95.01337	9.3
95.04987	9.0
96.04506	0.7
96.08112	0.7
97.02865	3.4
97.10188	0.9
98.06071	1.0
98.98471	2.5
103.05499	1.0
104.03460	1.8
105.03426	0.6
105.07037	5.4
106.06577	0.8
107.04966	15.4
107.08602	13.7
110.15009	0.6
114.05544	11.4
115.05476	5.5
117.07033	27.1
119.04925	1.0
119.08613	2.0
120.08112	0.8
121.06512	3.2
124.07628	0.6
131.04907	1.0
133.06526	2.7
135.08067	16.0
137.09593	0.8
139.09961	6.7
141.11885	0.6
145.06488	4.3
147.54903	0.6
149.06108	0.6
155.06013	1.0
163.07564	9.7
180.48969	0.6
181.08609	10.1
181.10045	1.2
192.08920	0.9
206.15379	2.7
216.13832	1.0
234.14909	100.0
252.11154	0.7
252.15895	1.6
252.19673	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	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85597	0.5
56.70364	0.6
56.75107	0.5
71.43459	0.8
79.05503	24.4
86.02449	5.7
87.00832	1.7
91.05499	0.8
103.05489	5.7
104.03480	54.7
105.07118	0.7
106.06566	29.0
107.04967	100.0
108.05311	0.7
118.06596	0.7
120.08122	5.8
131.04942	29.1
132.04463	1.8
133.17876	0.6
134.04544	0.6
136.06201	13.2
146.06030	0.7
149.05989	9.7
188.65990	0.6
192.06577	31.2
206.08154	4.8
207.10172	4.2
216.06662	1.0
234.07611	4.5
234.13501	2.3
252.08621	1.2
252.14534	7.3
274.25610	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0868
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
51.03313	0.5
51.80834	0.4
63.16475	0.5
65.76717	0.5
70.04089	2.3
71.63035	0.5
77.03906	0.6
78.20447	0.5
79.05500	24.4
86.02438	4.8
87.00832	2.6
103.05478	5.2
104.03474	59.8
105.07043	1.2
106.06564	26.9
106.81638	0.5
107.04963	100.0
117.46436	0.4
120.08110	4.7
131.04941	30.1
132.04515	2.4
146.06059	0.8
149.06000	10.7
174.30940	0.5
188.07118	0.7
191.46339	0.6
192.06566	27.4
206.08128	3.7
207.10222	0.8
216.06659	0.8
234.07637	3.6
252.08710	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35226	0.2
65.03945	0.2
70.06594	1.7
71.05004	0.8
71.17413	0.4
72.65230	0.2
85.74995	0.2
88.03996	0.2
88.07640	3.3
89.06032	0.2
91.05481	5.8
98.98454	0.3
106.08675	7.3
109.02859	0.3
119.04951	19.1
128.76202	0.2
135.55490	0.2
147.04419	100.0
148.04768	0.5
159.85469	0.1
161.06049	0.2
234.11212	1.7
235.09660	0.3
252.12326	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	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
60.93296	0.5
65.03935	1.0
69.44036	1.9
69.44463	1.8
70.02946	2.9
74.02447	23.6
79.05497	3.1
81.07079	1.2
82.23985	0.5
84.04506	1.3
85.10707	0.5
88.03999	46.7
91.05488	100.0
98.02415	0.7
99.00947	0.6
103.05498	0.5
104.03460	5.6
105.03403	10.7
106.06580	3.4
107.04955	12.2
107.05624	1.0
108.45976	0.5
114.77554	0.5
116.03457	16.8
119.03580	0.9
131.04951	3.3
134.04497	68.2
136.06197	29.6
136.07468	1.3
149.06001	1.1
192.06586	3.3
199.24310	0.6
206.08118	3.2
234.07634	7.6
234.13484	5.4
252.08891	3.1
252.14563	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2008
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03950	5.3
55.05505	10.0
57.07084	4.7
59.04996	22.0
59.61350	4.4
67.05503	11.9
69.03447	4.8
69.07062	17.2
69.42616	29.4
71.05000	26.5
79.05491	15.8
81.07046	32.8
85.06543	23.9
91.05492	25.6
93.07049	86.3
95.04939	5.8
95.08621	41.1
97.06515	9.9
98.98476	100.0
105.07043	63.3
107.08615	26.8
109.10152	25.8
111.08073	14.9
112.16245	4.6
119.08594	31.3
121.10150	32.0
123.08128	6.2
123.11694	20.8
125.89131	3.8
131.08589	10.0
133.10149	12.2
135.11707	29.5
139.11139	10.4
145.10117	25.9
147.11693	95.4
149.13425	4.5
153.12740	13.0
159.11702	25.8
161.13382	6.3
165.12804	10.2
173.13400	8.7
174.99200	6.7
181.15009	5.2
189.16431	14.3
205.19487	5.3
207.17419	8.2
215.17975	40.6
233.19052	30.1
237.93973	4.5
251.04774	4.9
251.20102	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1645
Annotation	Heterophyllol
Peak:m/z	Relative Intensity
55.01875	2.2
55.05506	5.8
57.03436	1.9
57.07071	6.1
59.04999	5.2
67.05194	1.9
67.05518	11.8
69.03437	9.0
69.07070	4.5
70.56737	2.3
70.57050	3.2
71.05002	44.3
79.05494	10.9
81.03404	2.3
81.07070	14.0
83.04998	11.4
83.08623	6.6
85.06536	6.5
91.05497	14.4
93.02650	1.7
93.07063	13.1
95.04989	14.2
95.08604	14.4
97.06534	16.6
98.21426	2.0
98.98479	100.0
99.04464	4.2
99.08140	2.0
105.07051	15.8
107.04979	3.9
107.08613	15.9
109.06520	6.5
109.10183	13.1
111.04429	2.0
111.08103	8.0
113.06050	9.7
113.09597	1.8
117.07070	2.4
119.08588	30.3
121.06519	5.8
121.10166	28.7
123.08069	9.9
123.11707	5.0
125.05998	17.8
125.09632	3.3
129.07010	2.3
131.08601	11.8
133.06526	3.0
133.10132	8.0
135.08063	3.7
135.11694	7.5
137.05994	2.2
137.09636	35.5
137.13345	2.0
145.10139	21.4
147.08064	55.4
147.11681	13.0
149.09610	12.7
151.07545	5.8
151.11261	3.6
153.05580	1.9
153.09093	2.8
155.10645	4.5
157.10176	2.9
159.08153	1.8
159.11696	4.1
161.09573	3.4
161.13287	2.7
163.11203	45.5
163.14809	2.0
165.09372	1.9
165.12704	2.4
173.09625	5.1
173.13278	5.6
173.15137	1.6
174.99232	4.7
175.11230	13.8
177.09135	2.6
179.14305	19.0
181.12253	8.0
187.11134	4.1
187.14844	5.4
189.12837	1.9
191.14337	7.8
193.12253	6.3
195.10114	1.8
197.13367	2.0
205.12302	2.4
205.15910	5.7
207.13838	4.4
215.10844	3.6
215.14342	11.8
219.08183	2.3
233.11687	4.9
233.15385	47.2
251.10619	2.4
251.12714	11.9
251.16470	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1393
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
53.14592	0.3
55.05487	0.4
58.06611	2.3
60.08168	0.6
63.02402	0.5
69.03437	0.5
69.33642	2.8
70.06594	1.2
71.04994	0.4
72.08163	26.2
79.05497	0.8
80.79995	0.3
81.07074	0.5
84.08163	0.7
85.02921	0.7
86.09721	0.4
89.03919	3.0
89.10800	19.6
90.28510	0.3
91.05506	0.9
93.07063	0.4
94.02378	0.3
96.37350	0.3
98.06086	0.7
98.20793	0.6
98.98476	27.4
100.65925	0.3
100.81997	0.3
105.03419	0.9
105.06958	0.4
107.04961	1.7
110.07214	0.4
113.69402	0.3
114.09079	0.4
115.08698	1.4
117.03379	6.7
118.06654	0.3
119.04932	0.5
121.02869	0.4
121.06561	0.5
131.04979	0.5
131.08546	0.4
135.03407	0.8
135.04433	14.8
145.02856	12.7
145.04010	0.7
146.06052	2.1
147.04408	2.1
154.91756	0.4
159.04453	0.5
163.03918	100.0
164.07083	0.7
174.05542	2.1
174.99210	1.5
178.08241	0.7
191.07088	0.3
192.06595	2.0
205.05061	0.6
207.12161	2.9
233.04333	0.5
233.09460	0.3
233.12825	0.5
234.11267	14.8
234.13641	0.7
251.05359	0.6
251.13940	31.4
266.36194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.128
Annotation	Pterosin T
Peak:m/z	Relative Intensity
54.75711	0.8
55.01538	0.7
55.05508	1.0
66.33012	0.8
67.05506	1.9
70.62834	1.0
70.63138	1.4
71.05026	0.8
77.35184	1.0
79.05504	1.9
81.03429	1.1
81.07063	2.3
91.05493	1.9
91.19219	0.7
93.07050	2.7
95.04959	0.7
95.08610	2.3
97.06560	0.8
98.98474	79.6
99.04464	1.0
105.07047	2.3
107.04954	1.1
107.08585	2.0
109.10163	0.9
111.56512	0.8
116.19761	0.7
117.07043	0.8
121.06525	1.3
121.10134	1.6
125.09663	1.1
128.06242	1.8
129.06989	2.5
131.04942	1.0
131.08585	2.6
133.06494	1.0
135.08099	1.1
141.07004	2.0
143.04883	0.9
143.08618	1.1
145.06540	4.8
145.10144	1.7
149.05978	1.0
151.07550	2.7
157.06546	5.1
158.07253	2.8
159.08049	7.2
159.11714	2.1
160.08823	1.2
161.05988	1.1
162.06741	1.6
163.07588	1.3
163.11183	1.0
163.70134	0.9
165.09117	0.8
169.06506	3.6
171.08040	4.0
172.08839	15.0
173.05994	7.9
173.09633	2.6
174.06818	2.8
174.10434	6.4
174.99239	4.0
175.07515	1.8
176.08310	2.2
177.09120	1.9
183.08125	1.2
184.08844	5.6
185.05984	2.3
187.07532	1.8
187.11110	1.4
188.08339	31.9
189.09157	6.2
190.06322	3.2
190.09807	1.5
191.08496	1.5
200.08342	5.0
201.09163	0.8
202.09868	2.0
203.10696	36.1
205.08856	0.9
205.12248	9.6
215.10689	15.9
221.11716	1.3
233.11743	100.0
236.06648	1.6
251.08795	4.4
251.14281	1.1
251.16399	2.1
251.20261	1.0
258.34637	0.9
263.71426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.128
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03957	2.6
55.01862	5.2
55.05500	5.4
67.05516	8.4
69.03425	6.4
69.07068	9.0
69.39565	4.5
69.39985	7.2
71.05003	16.8
77.03902	1.4
79.05507	14.8
81.03418	2.1
81.07066	13.5
83.04984	4.6
85.06550	3.4
91.05486	17.1
93.07054	19.3
95.04984	12.5
95.08611	6.4
97.06546	8.4
98.20752	2.3
98.98476	62.0
99.04462	44.5
101.06037	1.8
103.05495	2.9
105.07047	40.1
107.04962	11.1
107.08600	11.7
109.06519	13.7
113.05977	2.1
117.07021	18.4
119.04929	3.8
119.08595	11.3
121.06526	16.4
121.10161	6.7
121.15247	1.4
123.08073	1.6
125.06010	7.3
127.07572	1.9
128.06215	3.4
129.06984	9.1
130.07784	6.0
131.04971	1.6
131.08583	31.5
133.06500	6.3
133.10121	8.9
135.08087	3.4
135.11693	3.9
136.11200	1.7
137.05997	10.5
139.07523	5.8
141.07036	2.8
142.07722	1.9
143.08565	9.9
144.09390	7.6
145.06480	7.1
145.10141	96.5
147.08043	4.5
147.11694	4.3
149.05920	2.6
149.09662	2.7
151.07489	2.6
154.07779	5.0
156.09370	2.2
157.10089	3.3
158.07254	6.1
159.08122	8.4
159.10463	2.9
159.11708	38.5
161.09608	2.0
163.07562	4.2
163.11203	37.4
166.83476	1.8
167.08919	1.8
167.10643	2.4
169.10121	14.4
171.11719	4.2
172.08844	5.4
173.09644	43.4
174.99249	3.6
177.09189	2.6
177.12758	3.7
181.12259	2.8
187.11203	100.0
189.12750	3.8
190.07813	2.7
191.08820	3.2
191.10698	27.5
197.09703	10.7
205.12265	54.5
215.10704	63.0
233.11754	54.3
233.15288	2.0
251.07108	2.0
251.10545	4.9
251.12794	21.9
251.16403	4.7
251.18390	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	251.128
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
55.01884	1.4
55.05503	1.1
57.03441	1.5
57.07065	1.2
62.18641	0.6
67.05514	4.3
69.07067	1.5
69.26839	5.7
71.05006	1.1
72.08179	0.9
79.05494	3.2
81.03426	1.6
81.07049	4.5
85.06548	1.4
91.05479	3.3
91.77442	0.9
93.07049	3.1
95.04964	3.1
95.08614	2.2
97.06548	1.5
98.98475	100.0
105.03398	1.1
105.07047	3.3
107.04963	2.2
107.08609	1.7
109.06604	1.0
109.10148	2.7
115.05471	1.8
116.99502	1.8
117.07081	1.4
119.08558	1.8
121.06516	1.6
121.10156	2.1
123.11681	0.9
128.06230	1.5
129.06989	1.9
130.55498	0.7
131.04916	1.0
131.08568	2.6
133.10133	1.6
137.05991	1.0
140.01106	1.2
143.08521	1.2
143.27806	0.9
145.06491	3.1
145.10167	1.1
151.03949	1.4
151.07553	1.8
157.06516	2.3
158.07269	2.2
159.04286	1.0
159.08070	3.5
160.08888	0.9
163.07552	1.2
163.11282	1.0
165.09074	1.0
169.06512	1.5
171.08061	1.7
172.08855	9.6
173.06027	4.6
173.09688	0.9
173.13263	1.2
174.06691	1.4
174.10439	3.4
174.99248	4.8
175.07527	1.2
177.09157	1.7
183.08160	0.9
184.08856	3.9
185.06007	1.3
187.14944	1.3
188.08354	20.5
189.09132	1.8
190.09824	0.8
191.07031	1.0
200.08345	2.3
202.09906	2.2
203.10692	21.7
205.12230	4.6
207.08295	0.9
209.09776	1.1
215.10715	7.4
215.17926	0.8
233.11742	60.7
233.15475	2.2
251.07004	1.5
251.08995	1.4
251.10745	0.8
251.14310	2.1
251.16507	3.5
251.20142	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1281
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03945	2.6
55.01870	5.6
55.05516	9.0
59.04995	1.9
64.38653	1.4
65.03916	1.9
67.05516	10.0
69.03419	3.8
69.07065	9.9
71.04983	5.9
73.02917	2.0
79.05499	24.2
80.33435	1.4
81.03425	2.1
81.07064	29.9
83.04962	4.4
83.08598	1.9
84.08134	2.7
85.02920	2.0
91.05494	17.4
91.51691	1.3
93.07047	39.3
95.04980	10.2
95.08613	21.1
97.02888	3.4
97.06544	8.9
98.97616	2.9
98.98476	91.7
99.04459	11.4
99.53944	1.8
103.05473	1.9
105.07039	26.9
107.04974	21.1
107.08604	22.6
109.06531	10.7
109.10140	5.2
111.04462	2.7
113.06013	3.2
115.05428	2.8
117.07029	10.0
119.04945	4.8
119.08595	11.9
121.06518	17.8
121.10136	11.5
123.08071	2.2
125.06013	10.7
128.06116	1.6
129.06995	4.8
130.07768	5.4
131.08548	9.2
133.06499	5.5
133.10143	4.5
135.08096	7.5
135.11696	23.3
137.05980	15.6
138.06287	3.2
139.07547	6.8
141.07016	2.0
143.08533	6.0
144.09337	2.0
145.06442	5.0
145.10135	60.1
147.08061	2.5
147.11678	5.7
148.08772	1.6
149.09663	1.9
151.07529	2.6
153.09116	1.7
154.07671	1.9
155.07007	1.8
158.07297	2.6
159.08086	3.3
159.11696	19.0
161.05971	1.5
161.09697	4.1
161.13182	3.2
163.11189	100.0
169.10126	6.2
171.07925	1.6
172.08774	2.4
173.06027	2.5
173.09634	20.1
174.99261	4.4
175.07626	1.7
176.04686	3.2
177.12708	1.9
179.08595	2.5
181.12256	46.0
187.07661	2.0
187.11192	28.9
189.12735	1.8
190.07909	3.3
191.08612	5.7
191.10672	23.4
197.09613	5.8
205.08670	2.7
205.12247	19.1
215.10695	28.9
219.08089	3.0
227.12819	12.4
233.11754	27.7
234.11990	3.3
236.08284	1.9
251.10593	8.5
251.12804	16.6
251.16331	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	251.128
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
51.85687	0.7
53.03949	1.3
55.01880	2.5
55.05507	2.3
57.07076	0.7
59.04993	1.7
65.03927	1.1
67.05508	9.9
69.03434	4.2
69.07071	4.6
70.06588	1.0
70.64417	1.4
70.64754	1.0
71.04998	5.9
76.30696	0.8
77.03970	1.0
79.05495	9.4
79.76122	0.7
81.03422	2.3
81.07062	12.3
83.04987	3.0
83.08614	1.8
85.06539	3.3
91.05479	9.6
93.07044	16.4
95.04977	10.1
95.08611	6.5
97.06554	6.4
97.92796	0.8
98.98474	100.0
99.04463	14.6
103.05491	1.3
105.04536	1.2
105.07040	20.5
107.04948	5.0
107.08588	7.4
109.06513	8.9
109.10153	2.2
111.04457	1.2
111.08089	2.8
113.06020	1.1
114.05505	0.8
115.05452	1.7
116.99513	1.6
117.07047	6.1
119.04961	4.4
119.08595	7.3
120.04494	1.0
121.06506	10.8
121.07285	1.2
121.10136	3.6
123.08104	1.2
125.06003	3.6
127.07573	2.7
128.06247	1.6
129.06972	3.8
130.07796	2.1
131.04919	1.6
131.08572	11.0
133.06499	3.5
133.10132	5.6
135.08052	2.8
135.11685	3.5
137.05956	4.8
137.09587	1.6
139.07571	6.3
141.06996	2.9
142.07761	0.8
143.04936	1.3
143.08565	4.1
144.09360	3.4
145.06494	2.7
145.10133	36.3
147.08061	2.8
147.11684	2.9
149.09616	1.3
151.03915	12.9
151.05052	0.8
151.07532	2.1
153.05508	2.7
154.07753	1.3
155.08585	2.2
157.06656	0.8
157.08629	3.5
157.09975	1.1
158.07260	1.9
159.08067	3.1
159.11696	17.9
160.05223	0.8
161.06009	1.0
161.09648	1.5
161.13342	1.3
163.07507	1.7
163.11208	17.9
165.09117	0.8
167.08501	0.9
169.10107	6.4
171.11775	1.4
172.08821	1.5
173.09627	13.0
174.99220	4.9
175.07578	0.9
176.04781	1.8
177.09117	1.5
177.12762	2.2
179.08527	1.3
181.12227	1.4
182.07391	1.1
187.11205	35.2
189.12753	1.9
190.07762	1.2
191.07051	8.1
191.08702	1.4
191.10696	9.5
197.09685	5.0
203.07011	3.2
205.12245	18.8
215.10681	25.8
215.17928	0.8
219.08051	1.0
221.08089	6.2
224.79202	0.8
233.08119	2.2
233.09335	1.0
233.11736	17.6
233.15392	2.6
233.19084	1.1
236.08299	0.9
251.07054	3.6
251.10492	5.2
251.12694	19.7
251.16313	5.1
251.20099	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1281
Annotation	Pterosin S
Peak:m/z	Relative Intensity
51.81511	0.5
55.01879	2.8
55.05509	0.6
57.07063	0.6
57.66017	0.5
59.04989	0.6
61.28576	0.4
67.05508	0.7
69.03428	0.7
69.07073	0.9
69.54650	2.3
71.04974	0.8
73.02924	32.0
75.22230	0.5
79.05487	1.9
81.07053	1.4
83.04984	0.6
85.06545	2.3
90.04219	0.5
91.03976	0.6
91.05482	5.2
93.07034	0.7
95.05004	1.0
95.08607	0.7
96.71753	0.5
97.06531	3.1
98.06885	1.1
98.21486	1.0
98.98474	24.5
105.07032	1.4
107.04967	25.4
107.08597	1.2
109.10242	0.6
115.05470	1.4
117.07053	2.7
119.04951	8.7
119.08584	0.6
121.06501	1.1
121.10143	0.7
123.04475	0.6
124.07362	0.5
129.06996	1.8
131.04933	1.4
131.08582	10.0
133.02864	8.5
133.06485	1.9
133.10172	1.3
134.03595	0.7
135.04468	2.6
135.08052	1.5
137.06001	2.0
138.06319	0.9
141.07021	4.0
142.07870	0.5
143.58884	0.5
144.05733	6.2
145.06491	3.1
145.10129	1.6
149.06027	2.8
149.09605	0.7
151.03839	1.0
154.07776	0.7
157.06508	0.6
158.07307	0.9
159.08084	6.7
161.05992	3.2
161.09633	26.9
163.07498	0.8
163.11223	1.2
165.05740	0.5
165.07001	1.8
167.08565	0.7
169.06445	4.0
169.07776	2.9
169.10159	1.5
173.06035	0.7
173.09656	0.9
174.99220	1.2
176.04684	1.1
179.07076	1.3
179.08533	1.0
179.10696	15.7
180.09306	1.1
185.09613	1.0
187.07553	41.9
187.11159	2.7
189.07048	1.9
189.09113	1.3
190.07800	5.7
190.09366	1.0
191.07051	2.2
191.08574	25.4
203.10735	4.1
205.08614	50.1
205.12314	2.2
207.08118	0.6
207.56079	0.5
208.08890	2.4
215.07410	0.7
215.10677	8.8
218.07373	0.9
219.08061	12.1
220.08751	3.0
233.08293	3.1
233.11745	20.1
233.15363	1.1
234.12123	2.7
236.08299	3.7
251.10651	13.8
251.12839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1279
Annotation	Pterosin S
Peak:m/z	Relative Intensity
55.01881	3.4
55.05516	0.9
56.96554	0.9
57.03426	1.0
57.07045	0.7
59.04994	2.3
67.05493	2.5
69.03430	1.1
69.07054	2.1
70.06605	1.2
70.15648	1.8
71.04993	1.6
72.08161	1.3
73.02922	30.1
79.05493	3.0
81.03407	0.8
81.07049	2.8
83.04991	0.8
84.08109	1.1
85.06531	2.6
91.05483	6.7
93.07064	3.4
95.04969	1.6
95.08607	2.2
97.06530	5.6
98.06870	3.0
98.98472	59.3
99.04467	1.3
101.58283	0.6
103.05508	0.7
105.03381	1.0
105.07031	4.0
107.04957	27.5
107.08561	1.5
109.06511	0.8
109.10165	1.3
115.05443	2.1
116.99513	1.2
117.07018	2.5
118.42262	0.6
119.04954	8.7
119.08546	2.3
121.06493	2.2
121.10143	2.0
123.08086	1.0
128.06236	0.9
129.07011	2.7
129.92618	0.6
130.07784	0.6
131.04913	2.0
131.08569	10.7
133.02863	8.6
133.06487	2.5
133.10136	2.2
135.04382	1.6
135.08067	1.8
135.11676	1.0
137.05977	3.2
137.09605	0.7
138.06329	3.0
141.07002	4.8
144.05667	5.4
145.06494	4.1
145.10139	4.4
146.07288	0.6
147.11678	1.7
149.05945	2.1
149.09668	1.0
151.03894	1.2
157.06519	0.8
158.07262	1.2
159.08066	7.3
159.11662	1.7
161.05977	3.4
161.09633	27.1
163.07535	1.1
163.11154	1.8
165.07045	3.3
169.06416	3.9
169.07649	2.5
169.10139	1.4
172.05251	0.8
173.06004	1.2
173.09653	1.0
173.13237	1.1
174.06787	2.3
174.99225	4.1
175.07559	1.3
175.11009	0.7
176.04701	1.4
177.05540	0.8
177.09135	0.9
177.67000	0.7
179.07135	1.1
179.08594	1.8
179.10684	13.7
180.09309	1.2
185.09570	1.0
187.07541	42.1
187.11142	5.4
189.07011	3.4
189.09061	2.5
190.07779	11.5
191.07100	2.8
191.08563	41.0
191.10295	1.1
195.10199	0.8
203.07045	0.9
203.10674	3.4
205.08606	52.5
205.12241	4.0
207.06403	0.8
207.08144	0.9
208.08917	4.4
215.07150	1.6
215.10683	7.5
218.07314	1.6
219.05969	1.1
219.08076	22.2
220.08885	4.9
221.11603	0.8
223.11116	0.8
230.09723	0.6
233.08136	7.6
233.11729	20.8
233.15282	1.2
234.12071	4.9
236.08389	7.7
251.07198	2.4
251.10587	24.2
251.12790	100.0
252.13010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0308
Annotation	Diazodiphenoquinone
Peak:m/z	Relative Intensity
53.35709	0.8
54.52072	0.8
62.77613	0.9
62.95182	0.9
71.52506	1.3
86.11955	0.8
94.93012	5.4
96.92829	4.5
102.87160	0.9
103.31110	0.9
118.94131	4.1
121.18663	0.9
150.54745	0.8
163.28621	0.8
190.99864	5.3
208.88437	2.6
209.00908	12.0
250.89565	2.5
251.03085	100.0
270.79984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1069
Annotation	Dehydroeffusol
Peak:m/z	Relative Intensity
54.50735	0.3
55.01879	0.6
61.44266	0.2
67.05505	0.4
69.03441	0.3
69.07063	0.4
71.04982	0.3
72.08175	0.3
73.02927	3.9
73.44347	0.3
74.77841	0.2
79.05499	0.7
81.07054	0.6
85.06566	0.4
91.05484	1.3
93.07054	0.5
93.52444	0.3
95.04955	0.3
95.08631	0.5
97.06531	1.8
98.06874	1.0
98.98472	17.2
105.07044	0.6
107.04951	3.1
107.05541	0.3
107.08582	0.3
109.06509	0.4
115.05489	0.5
118.41164	0.3
119.04973	1.4
121.06491	0.4
121.10213	0.3
123.08028	0.3
129.06996	0.8
131.04935	0.4
131.08572	1.6
133.02875	0.7
135.04463	0.4
135.08058	0.6
137.06003	1.0
138.06314	1.0
141.06996	0.9
144.05722	0.7
145.06503	0.6
145.10103	0.5
147.04422	0.4
151.03804	0.3
152.06268	0.5
153.06969	0.4
157.10121	0.3
159.08006	1.2
161.05966	0.6
161.09615	4.1
163.11177	0.3
165.07005	5.0
166.07756	0.5
167.08566	0.3
169.06442	0.6
174.99158	0.6
177.07027	0.5
178.07851	1.0
179.08545	2.4
179.10699	2.1
180.09338	3.0
181.06528	0.6
181.50537	0.3
187.07538	6.1
187.11115	0.6
189.06999	7.1
190.06465	0.5
190.07787	27.3
191.08562	78.3
192.09236	1.3
193.06485	0.5
194.07262	0.7
195.08087	0.4
201.07018	0.7
202.07687	0.7
203.08636	0.7
203.10748	0.8
205.06540	1.3
205.08615	7.1
205.10204	1.3
205.11909	0.5
207.08070	3.4
208.08829	7.5
209.64317	0.3
215.10664	1.3
217.06517	1.0
218.07294	7.9
219.08063	50.8
220.08833	8.3
221.06021	0.6
223.11205	0.7
223.88741	0.3
229.07626	1.2
233.09615	0.7
233.11662	2.6
233.15337	0.4
234.12186	1.9
235.07509	2.9
236.08350	13.4
250.09637	0.3
251.10655	100.0
251.12854	11.0
252.11000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.2168
Annotation	CHEBI:70093
Peak:m/z	Relative Intensity
52.32668	0.7
53.03949	2.1
55.01873	4.4
55.05513	18.5
57.03439	0.7
57.05796	0.8
57.07079	5.3
58.06610	0.8
59.05004	0.8
65.03938	1.3
67.05510	48.1
69.03437	1.5
69.07072	54.3
69.35368	5.2
71.07387	1.0
72.08160	22.8
74.09709	1.7
74.10725	0.7
79.05497	9.5
81.03432	1.8
81.07061	48.7
83.08615	8.4
83.92599	0.7
91.05473	4.4
93.07057	9.5
94.49249	0.9
95.04961	2.3
95.08613	97.2
96.04504	1.0
97.06543	2.6
98.06026	1.5
98.21477	1.3
98.98468	5.9
105.07037	3.1
105.54546	0.7
107.04964	1.4
107.08602	2.9
109.06527	2.1
109.10166	19.8
110.06013	0.8
111.08049	1.1
119.08585	3.6
120.08698	0.7
121.10137	2.4
123.08087	1.4
123.70977	0.8
133.06451	1.0
133.10147	2.1
135.11693	3.5
137.09621	1.7
139.09944	1.5
151.14812	2.1
161.13295	4.0
173.09267	1.2
179.14314	6.2
188.07866	0.9
189.08875	1.2
190.09398	2.0
191.05324	0.9
203.10332	1.0
204.10991	1.2
232.10410	2.1
250.12224	1.7
250.21681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.2167
Annotation	dendrobane
Peak:m/z	Relative Intensity
53.03946	2.9
55.01881	2.0
55.05515	12.3
57.07082	61.9
58.06579	2.5
58.07417	3.1
67.05511	59.6
68.05849	2.5
69.03434	12.9
69.07079	12.7
70.12709	5.3
70.49784	1.9
72.04546	3.1
72.08159	4.6
74.09737	15.2
79.05495	16.6
80.05841	4.2
81.03418	3.3
81.07069	39.3
82.07394	3.1
83.08622	5.4
84.04501	5.5
85.05283	10.4
86.06065	7.4
91.05481	7.4
92.05803	4.3
93.07049	23.5
94.07398	4.5
95.04952	2.7
95.08616	58.7
98.06065	17.9
98.98497	12.9
98.99036	1.9
100.07635	3.4
105.07050	8.4
106.07371	6.4
107.08633	15.1
108.08942	8.2
109.06487	2.5
109.09363	3.1
109.10162	34.1
117.07011	2.9
119.08591	2.9
121.06535	2.1
121.10167	2.7
122.10537	1.8
123.08063	2.0
126.09163	23.1
126.10045	2.6
128.10735	3.3
132.08867	3.4
133.06479	1.9
133.10161	5.3
134.10484	6.9
135.10814	6.0
135.11713	9.0
141.11501	5.7
142.12317	2.4
148.12096	4.4
149.12302	2.5
149.13318	12.0
150.13618	4.9
151.13855	4.0
151.14899	5.3
154.12282	5.2
159.11703	2.2
176.11595	2.5
177.11668	2.5
182.15402	2.0
191.05365	4.1
195.11664	1.5
204.11017	1.7
227.75760	1.8
232.10678	1.9
250.12650	2.1
250.21686	100.0
254.90953	1.9
256.85678	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.2166
Annotation	CHEBI:70093
Peak:m/z	Relative Intensity
50.68351	0.8
53.03941	1.2
55.01884	1.3
55.05269	1.2
55.05515	15.4
56.05037	0.9
57.07080	59.6
58.06609	2.2
58.07425	1.3
60.04526	1.8
65.03959	2.1
67.05509	61.2
68.05798	1.0
69.03434	20.2
69.07066	9.8
70.06595	1.3
70.87289	0.9
72.04523	3.4
72.08167	3.2
74.09724	12.8
75.10053	1.1
79.05500	13.5
80.05818	1.9
81.03436	2.9
81.07066	44.7
82.06588	1.0
83.08621	5.6
84.04515	7.9
85.05289	9.0
85.06538	0.8
85.41817	0.8
86.06081	5.6
91.05466	5.4
92.05811	1.1
93.07050	20.0
94.07384	1.9
95.04955	1.5
95.08614	70.5
97.10210	1.6
97.17699	0.8
98.06057	21.5
98.21014	6.1
98.98480	3.0
100.07646	2.5
102.00386	0.9
105.07071	3.3
106.07371	1.2
107.04969	1.5
107.08595	11.6
108.08987	2.6
108.60281	1.0
109.06550	2.2
109.10165	31.8
110.06073	1.1
112.07658	2.0
116.10755	1.8
117.07015	1.0
119.08607	1.0
121.06505	1.1
121.10176	2.7
126.09164	27.5
128.10718	3.4
131.08626	1.2
133.10173	3.6
134.06839	0.9
134.10451	4.1
135.10770	1.8
135.11690	10.0
141.11484	9.1
142.12329	2.6
148.12105	1.7
149.13283	13.5
150.13708	1.6
151.14005	0.8
151.14879	8.2
151.69620	0.8
154.12277	7.1
155.12561	1.1
159.11754	1.1
167.70142	0.9
168.13893	1.2
177.11678	1.3
177.12984	1.2
182.15501	2.5
191.05423	1.0
194.15561	1.2
196.16991	1.5
202.09320	0.8
229.12300	1.0
246.01358	0.8
250.21716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1804
Annotation	Nupharidine
Peak:m/z	Relative Intensity
53.03928	0.5
55.05504	0.6
56.96556	1.0
57.07064	0.5
67.05511	2.5
68.05028	0.7
69.07072	13.8
70.06592	5.6
70.13947	0.4
71.04982	0.8
71.43799	1.0
79.05502	2.0
81.05798	3.3
81.07061	4.1
82.02577	0.4
91.05466	1.7
93.07041	5.8
94.06557	1.4
95.07333	1.9
95.08587	1.5
97.06507	0.6
98.06039	0.6
98.97589	3.4
98.98479	2.0
105.07003	1.2
107.08598	6.6
108.08112	2.2
109.06464	0.5
112.99125	0.5
114.05527	1.7
116.07112	2.7
116.98602	0.9
119.08574	0.6
120.08123	5.1
121.06552	0.4
121.10122	0.5
122.09636	1.0
131.08607	0.5
134.09686	0.9
135.04431	0.6
135.11678	3.4
135.37476	0.5
136.04755	0.7
136.11223	54.2
137.13269	0.6
142.00496	0.4
145.10130	1.2
147.04350	0.9
156.10164	0.8
158.07079	0.5
158.99625	1.9
163.11229	0.6
166.08646	36.0
168.10191	4.2
173.01256	1.1
175.07169	0.5
177.00716	0.6
180.10086	0.7
181.10977	17.7
182.10135	1.0
182.11778	20.8
187.11214	0.6
190.09473	2.3
194.11766	1.4
202.09428	0.7
204.10780	0.5
205.12170	0.6
207.09631	0.7
215.10620	0.9
219.01883	0.5
229.07242	1.2
233.11739	1.0
250.09557	1.5
250.18033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06445	0.9
53.03934	2.8
53.80894	0.8
55.05502	2.6
56.96553	1.1
58.06604	100.0
64.28673	0.8
65.03922	2.6
67.05511	12.6
69.03433	1.6
69.07050	2.9
71.53057	1.5
76.07645	11.6
76.08051	1.4
79.05499	94.4
81.03410	2.3
81.06593	0.9
81.07058	15.9
83.04964	1.5
84.04490	1.1
88.94322	0.9
91.05487	38.9
92.40166	1.1
93.07053	7.8
95.04983	10.8
95.08607	1.5
98.98478	7.7
105.07040	38.6
107.04982	6.4
107.08602	57.0
109.06509	3.2
117.07043	1.9
119.04948	1.1
119.06058	1.5
119.08593	13.6
120.16056	1.0
125.08367	5.2
129.06996	4.7
131.08580	7.2
133.06497	2.4
133.10133	14.9
142.07784	2.5
145.10085	2.1
147.08080	3.3
147.11696	34.8
149.13254	3.3
157.10130	2.6
160.75616	0.9
174.99442	0.8
175.11180	5.7
178.09889	2.0
189.08855	1.0
190.09453	3.2
191.05238	1.2
191.70952	0.8
232.16930	6.0
233.15388	3.4
250.12439	1.2
250.15085	1.4
250.18025	19.8
250.21721	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69609	0.4
51.02380	1.0
53.03948	7.3
55.01868	1.6
55.05517	6.4
56.05033	1.3
58.06599	1.5
60.08156	0.7
65.03938	2.1
67.05507	19.1
68.02648	1.2
69.03435	2.1
70.06053	0.9
70.06644	2.5
71.07377	7.7
72.08158	39.5
74.68793	0.4
77.03934	1.8
79.05495	20.0
81.03426	4.1
81.07056	4.9
83.03718	0.5
83.04980	2.5
84.04496	0.4
84.46329	0.4
86.29469	0.4
88.11269	0.8
91.05486	100.0
93.03417	3.6
93.07047	80.2
94.78379	0.4
95.04970	12.6
95.08616	2.2
96.04486	2.1
97.06469	0.5
98.06066	3.1
98.98484	4.3
103.05485	1.0
105.03392	0.8
105.04519	4.7
105.07033	28.3
107.04964	3.5
107.08600	3.7
110.06066	1.1
111.06840	1.1
115.05463	1.4
117.07022	6.8
119.04941	2.9
119.07806	0.7
119.08585	9.0
120.04432	0.7
120.05775	0.5
121.04775	0.5
121.06507	0.9
124.07607	1.5
126.09142	1.1
128.06238	4.5
131.08578	3.9
133.06534	3.6
133.10136	39.1
135.08034	0.7
135.11700	6.5
138.09186	0.5
139.09929	11.6
140.10724	0.6
141.07025	0.6
143.08543	5.0
145.06429	0.5
146.07268	1.3
147.11697	0.8
152.10748	1.1
154.12285	0.8
159.07993	0.5
161.09630	15.3
183.23532	0.5
190.04965	0.7
191.05307	2.2
203.92630	0.4
203.94658	0.4
232.16975	66.4
233.11690	0.6
248.83690	0.4
250.08002	0.4
250.12524	2.6
250.17976	6.8
250.21631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
54.98728	0.6
55.01864	1.7
56.05858	0.5
56.96559	1.1
57.03430	0.9
59.04993	1.0
61.40833	0.6
65.03920	1.3
67.05501	2.5
69.03087	0.7
69.03437	10.1
69.07077	20.7
71.04988	1.8
71.52264	0.9
78.03467	4.1
79.05502	8.1
79.91705	0.6
80.05006	0.6
81.03429	31.1
81.07059	2.0
85.02897	1.4
91.05492	24.8
93.07048	5.0
95.04970	4.0
95.08607	1.6
96.04507	1.0
96.05296	1.3
97.02912	2.7
97.06544	32.4
98.97599	5.3
98.98496	2.7
99.04456	2.3
105.07040	1.9
106.02927	17.3
106.07306	0.8
107.04963	1.5
107.08614	4.4
108.08942	0.9
109.02899	12.9
109.06524	2.3
109.10194	0.8
110.03259	0.6
112.99123	0.8
116.98640	1.7
119.04960	16.4
120.04504	1.0
121.06544	0.8
124.03970	22.9
127.03953	3.0
130.07339	1.8
131.08655	0.6
132.08893	1.1
135.04427	1.3
135.11722	1.6
136.05258	1.3
136.11212	1.9
137.05992	100.0
147.04453	1.0
149.05989	0.8
158.06900	1.0
158.99670	2.3
159.07985	0.8
160.08391	1.6
163.03938	2.3
166.08704	1.1
171.07719	0.8
173.01279	1.3
177.00671	1.3
181.11052	1.0
187.07353	0.7
188.07947	1.0
189.09184	1.0
190.09436	1.9
191.05411	1.9
200.02437	0.6
204.07471	0.8
205.08281	0.9
215.10757	1.4
222.06725	1.2
229.07201	3.3
232.10513	1.0
232.17030	0.7
233.11751	72.0
238.07857	2.7
238.57887	0.9
244.99771	1.6
249.58720	0.8
250.07225	14.7
250.11684	12.6
250.14531	5.7
250.18091	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81573	0.5
53.03955	0.8
55.01872	1.8
55.05510	0.9
67.05507	1.8
69.03442	1.2
69.07072	28.8
70.06580	1.3
71.53256	0.8
72.08166	1.1
79.05492	5.7
81.03427	1.0
81.07049	2.0
83.04994	0.7
85.02917	0.8
91.05489	20.0
93.07073	2.9
95.04964	0.8
95.08640	0.7
97.06539	24.3
98.97607	1.3
98.98486	1.8
105.07024	3.4
107.04972	0.9
107.08602	1.9
109.06516	1.3
114.05556	0.5
115.45501	0.5
116.06421	0.5
116.07093	2.6
117.07040	0.5
119.04951	15.0
124.04057	0.5
131.04936	1.1
133.06500	1.7
135.04439	1.5
135.11693	2.0
136.05226	2.0
136.11224	5.6
137.05989	100.0
145.06425	0.6
147.04420	0.7
149.06007	1.9
161.05946	1.5
163.03903	1.8
166.08676	4.1
173.06021	0.6
181.11009	1.5
182.11780	2.0
191.05373	1.2
215.10651	1.6
232.13484	1.1
233.11742	75.9
250.11916	1.6
250.14493	4.4
250.18071	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	250.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.05520	0.7
56.96572	1.3
59.05007	0.8
61.87645	0.5
67.05522	1.0
69.07079	0.7
69.93977	2.3
75.90764	0.5
79.05495	2.0
80.11559	0.5
81.07053	5.7
83.08643	0.6
91.05477	2.6
93.07055	2.2
95.04976	0.8
95.08635	0.7
98.21385	0.9
98.97595	8.2
98.98251	0.7
98.98487	0.7
105.07032	4.0
107.08594	1.9
109.10175	1.2
112.99117	1.3
113.55889	0.5
116.98634	2.3
117.07011	1.1
119.04983	0.6
120.05753	0.6
121.06541	4.6
128.06195	0.6
129.07027	1.8
130.07916	0.6
131.00180	1.0
131.08583	0.9
133.06500	3.1
134.07288	1.2
135.08075	2.0
135.11700	0.8
137.05951	1.0
144.05762	0.8
145.06509	3.6
147.06841	1.2
147.08092	1.9
148.07558	1.0
148.08556	0.6
149.06009	1.4
150.06764	13.8
151.07504	0.7
158.99678	2.1
159.08073	3.7
160.08855	30.2
161.06038	2.1
161.09607	1.3
164.07068	0.6
164.08348	1.1
165.09132	89.6
173.01253	2.1
176.08350	14.3
176.10771	1.7
177.00740	0.9
179.10732	2.8
191.02339	0.7
191.10695	53.3
193.11028	1.0
206.52292	0.6
207.10193	7.0
208.13348	100.0
211.30688	0.6
219.01900	1.2
229.07355	2.3
229.57588	1.2
238.57921	0.5
239.57054	0.5
244.99713	1.3
250.14409	65.8
263.00497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
55.47376	0.3
56.96582	0.3
57.03435	0.7
61.02929	0.5
66.45806	0.3
69.03442	2.5
69.56583	1.8
70.06602	3.1
72.08141	0.3
73.02930	0.4
81.03426	1.6
84.08147	0.7
84.39872	0.3
85.02914	14.0
86.09689	0.4
87.04473	0.3
88.07641	100.0
89.08019	0.3
97.02892	2.5
98.21494	0.5
98.97612	0.5
98.98477	1.3
99.04425	0.3
100.03976	0.3
107.04973	0.7
109.02923	2.0
112.02184	0.7
121.53165	0.3
124.03983	0.5
125.75499	0.3
127.03937	2.7
136.06219	3.5
140.01657	0.5
145.04980	1.6
145.72360	0.3
147.04489	0.4
158.02692	0.5
159.51198	0.3
165.80855	0.3
177.07834	0.5
186.02231	2.7
204.03322	0.8
204.10251	0.7
206.11792	2.6
232.09813	1.0
250.04128	0.4
250.07135	0.4
250.10643	1.1
250.13033	1.4
250.14868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
54.64465	0.3
55.01881	0.5
55.05540	0.4
56.05040	0.4
56.96565	0.3
57.03452	0.6
58.99593	0.4
59.05005	0.3
67.05498	0.6
67.70615	0.3
69.03413	0.4
69.07075	3.4
70.06609	1.3
71.05039	0.3
71.51668	0.4
72.08162	0.7
73.06561	0.5
74.93085	0.3
79.05505	1.3
81.03413	0.5
81.07069	0.6
83.04978	0.2
84.04502	0.5
84.08152	2.7
85.02892	0.4
86.09726	0.6
88.03984	0.3
91.05485	0.7
93.07033	0.4
94.04065	0.9
97.02920	0.6
97.06527	3.1
98.97575	0.6
98.98473	1.8
100.03930	0.3
103.05462	0.4
107.04969	3.1
109.02888	0.4
109.51137	0.3
112.02200	0.9
114.05522	0.4
115.05433	0.4
116.07046	0.3
116.98666	0.4
117.07009	0.4
119.03551	1.9
120.08134	0.4
121.06514	0.7
128.04291	0.3
129.10280	0.6
130.08606	0.4
131.04945	0.4
131.08548	0.3
133.06505	0.8
136.06198	96.2
137.04620	0.7
140.01645	0.7
143.00136	0.3
144.05267	0.4
145.06490	0.6
147.04366	0.3
149.05960	0.6
152.05682	2.4
158.02715	0.6
159.07985	0.3
161.06004	0.4
162.06281	0.5
163.07509	0.6
167.07056	0.3
171.08151	0.3
174.07692	0.8
176.08060	0.4
186.02199	2.4
189.09117	1.8
192.10141	0.4
204.03271	0.9
204.06660	0.6
204.10121	0.3
205.08598	1.0
205.12231	0.3
215.10649	0.3
227.63278	0.5
232.09778	0.3
233.11772	2.8
249.02783	0.4
250.12996	100.0
251.13297	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01869	0.4
65.03934	0.3
67.05500	0.4
69.03419	0.4
69.07053	0.4
69.41403	0.6
69.41830	0.6
70.06573	0.2
71.05005	0.2
72.08166	0.4
72.84395	0.2
79.05482	0.6
81.03417	0.9
81.07039	0.3
83.04959	0.3
84.08125	0.4
85.02899	0.3
86.06077	2.3
87.04431	0.2
91.05485	7.0
93.07040	0.3
95.04988	0.2
97.02915	0.2
97.06540	3.1
98.97589	0.8
98.98481	0.3
103.05460	0.2
104.07111	0.7
105.01877	0.2
105.07050	0.3
107.04941	0.2
109.02880	0.4
109.10162	0.2
110.17651	0.2
119.04952	21.6
120.08089	1.0
124.03965	0.3
127.03942	0.3
133.06499	0.4
137.05974	1.9
147.04420	100.0
148.04759	0.2
149.29449	0.2
158.99734	0.3
179.38620	0.2
204.06494	0.2
222.06776	0.5
233.11749	2.6
250.06450	1.1
250.10715	1.6
250.14642	0.9
251.31526	0.2
262.18039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1078
Annotation	Semecarpifoline
Peak:m/z	Relative Intensity
53.03925	0.3
55.14030	0.3
56.96561	0.7
58.06598	1.1
60.08165	0.7
68.05004	0.6
69.03437	2.8
70.06605	2.0
71.51334	0.6
72.08157	0.6
79.05495	0.6
80.17822	0.3
81.03407	1.7
82.03723	0.4
82.34974	0.4
84.08137	1.1
85.02894	1.2
86.06087	2.3
86.09706	0.7
89.95296	0.4
91.05479	1.5
96.07021	0.3
97.02892	1.0
98.97553	0.7
98.98473	3.0
105.07043	0.7
106.02939	0.8
107.04946	0.7
109.02851	1.0
111.04394	0.5
119.04971	3.6
120.04472	0.9
121.02903	0.5
121.04798	0.8
124.03924	0.6
132.08076	0.5
136.06168	1.2
137.06049	0.4
139.03882	0.4
146.09630	0.6
147.04428	16.0
148.07544	0.9
150.06853	0.5
151.07611	0.6
160.07610	0.8
161.05975	0.6
161.07889	0.5
162.05498	0.7
162.09177	2.5
163.03859	0.6
163.05928	0.8
163.07538	1.3
163.09952	2.4
164.07076	2.0
165.09128	0.6
171.06544	0.5
174.05539	6.8
175.06131	0.4
176.07076	2.9
177.07860	3.2
177.09213	0.6
178.08633	3.4
188.07082	2.0
189.07712	1.8
189.09268	0.6
190.05003	1.1
190.08630	6.7
191.05376	3.5
191.09358	3.0
192.06580	1.2
199.02333	0.4
204.10263	1.0
206.08170	5.4
206.11769	12.2
218.08115	1.0
220.06079	8.4
221.06812	1.7
233.11874	0.4
234.07658	5.7
235.08411	5.7
238.04224	0.7
250.10754	100.0
250.14746	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	249.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69513	0.9
60.42555	0.8
65.64961	0.8
66.12572	0.8
69.75224	5.2
70.75424	0.8
80.58480	0.8
98.20785	1.6
109.05244	0.8
115.05466	1.4
117.05733	1.0
129.07036	1.7
131.08553	2.9
132.08109	2.2
133.05241	1.7
144.05649	1.4
145.06514	1.3
146.06000	13.7
148.07637	1.4
149.45255	0.9
150.77620	1.0
153.06593	3.4
154.06570	1.0
156.08076	4.7
157.06467	1.4
157.08881	2.7
158.09668	2.6
159.06795	5.4
159.08075	2.4
160.07588	62.0
166.06529	1.6
167.07379	1.1
168.08112	2.2
169.06470	1.7
170.05980	2.1
171.06805	11.8
172.07581	5.1
173.08388	2.2
174.09149	15.0
184.07581	33.6
185.08376	4.9
186.09146	60.4
188.07056	2.4
196.07584	9.3
199.06215	1.3
200.06987	1.0
200.09474	2.7
201.10237	2.1
202.08638	90.0
203.09103	1.5
213.10272	3.3
214.08635	100.0
220.09726	3.7
231.08992	1.1
231.11255	18.2
232.09677	9.4
249.12364	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.3
56.96601	0.3
57.03469	0.7
57.85579	0.2
58.99607	0.5
67.01877	1.2
67.05524	0.5
69.03461	0.3
70.06628	1.0
71.17793	0.6
72.04560	0.3
72.08192	0.3
81.03452	0.3
81.07076	0.4
82.02960	0.3
84.04520	0.4
84.08150	1.4
85.02941	0.8
86.09753	0.4
86.99086	0.5
88.07644	2.1
91.05490	0.3
94.04074	0.4
95.05019	0.3
97.02932	1.0
97.06577	0.4
98.97603	0.5
98.98486	2.3
100.03985	0.5
107.05018	0.2
107.61565	0.3
112.02219	1.4
119.03585	0.8
121.06468	0.3
127.03993	0.4
128.03448	0.5
134.09628	0.3
136.06201	100.0
137.04572	0.3
140.01682	1.2
143.08568	0.4
145.06947	0.3
148.07503	0.4
150.05484	0.2
158.02736	0.6
171.08078	0.3
176.07062	0.4
177.07870	2.1
186.02209	5.7
189.09181	0.4
204.03267	1.6
204.06502	0.5
204.10156	0.4
206.11777	9.9
232.05978	0.8
232.08116	0.4
250.03645	0.7
250.09261	16.1
250.12907	1.5
250.14413	2.8
250.17250	0.4
251.04778	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1125
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
51.57921	0.5
53.03942	0.7
55.01860	1.8
57.03415	2.3
59.04975	1.6
60.08142	1.9
61.02918	1.0
67.05489	1.4
68.99762	0.8
69.03436	10.5
71.04970	1.1
71.47726	0.9
73.02889	1.2
79.05474	1.9
81.03423	5.8
81.07032	1.7
81.70654	0.6
85.02441	0.9
85.02911	12.1
86.99300	0.5
87.00844	4.3
87.04442	0.5
91.05491	6.2
93.07029	1.1
95.04974	0.6
97.02400	0.5
97.02905	5.6
97.06468	0.5
98.97614	1.2
99.04460	3.1
102.84161	0.5
103.05449	1.6
105.01848	1.4
105.03370	0.7
105.07048	2.6
107.04951	1.4
107.08588	1.2
109.02906	3.3
109.06414	0.5
112.37141	0.5
114.99025	0.5
115.05462	3.2
116.06199	1.9
117.07000	2.7
119.04938	0.9
119.08575	1.4
120.04491	3.4
121.06457	1.4
126.84456	0.5
127.03918	8.9
128.06213	7.2
129.07027	16.4
130.07756	1.2
131.04897	1.6
131.08588	14.1
132.05682	1.1
133.06488	3.5
133.10088	1.5
135.11696	0.6
141.07014	7.5
142.07790	3.7
143.08556	3.8
144.05724	6.0
145.04926	1.4
145.06503	4.8
146.07272	2.7
147.04419	2.4
147.07912	0.6
148.07541	1.2
153.07013	1.3
154.69913	0.5
155.06036	1.5
156.05682	1.6
157.06496	7.2
157.10130	0.8
158.07269	1.6
159.04376	0.9
159.08067	23.2
160.05269	0.9
161.05994	2.4
161.09599	6.8
162.05505	0.7
167.07033	1.0
169.06369	1.1
169.07605	2.6
170.07295	7.7
171.04393	1.5
171.08046	6.0
172.05215	2.7
173.05975	2.6
174.06770	2.5
175.07574	3.1
177.05424	0.6
178.06238	1.0
181.06422	0.7
184.07542	0.6
185.06145	0.7
186.06725	0.8
187.07553	13.8
189.03938	0.7
189.05412	2.5
189.09103	7.1
190.04922	6.5
190.06297	0.9
190.08641	1.4
191.06975	0.8
193.08582	0.8
198.06772	1.0
199.07503	2.6
201.05469	1.1
203.07031	5.0
204.07816	11.5
205.08609	0.9
206.09384	1.0
216.07852	3.0
217.08438	0.8
218.09390	0.7
219.10161	2.0
221.08093	1.1
221.11751	2.9
231.04941	1.1
231.10158	5.6
231.13759	1.1
234.08972	1.2
249.11194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03942	0.7
55.01867	0.9
57.03425	0.8
59.04992	0.5
59.97252	0.4
60.08150	1.3
67.05499	0.8
68.99776	0.5
69.03444	4.8
70.04139	1.0
70.04539	0.6
75.71198	0.4
77.03913	0.4
79.05493	0.6
81.03432	2.8
85.02908	5.0
87.00842	2.0
89.92821	0.4
91.05491	5.2
93.07041	0.7
97.02896	2.5
99.04459	2.0
103.05462	1.1
105.01849	0.6
105.07046	1.8
107.04939	1.6
107.47676	0.4
109.02866	1.7
115.05460	3.3
116.06245	2.4
117.07053	2.3
119.04944	0.6
119.08594	0.5
120.04450	1.1
120.89980	0.4
127.03933	3.8
128.06235	7.2
129.07016	15.4
130.07753	0.9
131.04916	1.4
131.07599	0.8
131.08578	14.5
133.06529	2.4
133.10106	1.3
141.06996	6.7
142.07803	3.0
142.19931	0.4
143.08580	2.8
144.05727	7.7
145.05318	0.6
145.06473	4.1
146.07254	2.4
147.04410	1.6
147.08058	0.7
148.07588	0.9
152.06186	0.9
152.86444	0.5
153.07031	1.9
155.06020	1.3
156.05699	1.8
157.06508	7.7
158.07329	2.1
159.04477	0.7
159.08066	20.2
160.05220	0.9
161.06015	2.4
161.09610	4.9
167.07095	0.9
169.06555	0.7
169.07634	2.3
170.07289	7.0
171.04402	1.2
171.08054	5.9
172.05241	2.5
173.05992	3.8
174.06760	2.2
175.07608	2.0
178.06232	1.0
181.06450	0.6
184.05159	0.5
185.06009	0.8
186.06816	0.4
187.07568	14.3
188.08267	1.2
189.05544	2.1
189.07245	0.9
189.09128	6.7
190.04950	1.5
190.06430	0.8
190.08582	0.9
191.07082	1.4
193.08533	0.6
198.06749	1.9
199.07549	2.4
201.05434	1.6
203.07042	4.9
204.07843	10.3
205.08614	1.2
216.07834	2.9
217.06541	0.7
217.08496	1.0
218.09326	1.4
219.10123	1.7
221.08148	0.9
221.11757	2.3
231.10178	6.3
234.08844	0.8
249.11234	100.0
250.11484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
59.05004	0.7
60.04529	1.1
64.24029	0.7
67.05495	1.2
69.03419	2.6
69.44237	4.4
70.06584	0.9
79.05499	1.5
81.03423	1.1
81.07041	0.9
83.92665	0.6
85.02918	2.3
87.00819	1.0
88.04004	0.7
91.05489	7.0
92.05826	1.7
93.07040	1.3
95.04954	1.2
97.02899	1.9
97.06562	1.0
102.05538	7.2
103.05943	3.3
105.07031	2.7
107.04951	2.1
107.08525	0.8
115.05462	3.2
116.06262	2.0
117.07027	1.9
119.04975	0.9
119.08572	1.2
127.03933	2.0
128.06218	6.9
129.07018	13.9
130.07788	1.0
131.04958	1.9
131.08572	12.5
133.06482	1.9
133.10127	1.7
135.04437	1.1
137.05978	1.0
141.07007	6.0
142.07800	2.9
143.04968	1.4
143.08578	2.2
143.56592	0.7
144.05704	7.5
145.06494	4.4
145.10158	0.8
146.07307	3.4
147.04475	1.3
153.06995	1.2
156.05774	1.1
157.06487	9.9
158.07275	11.5
159.04451	4.1
159.08060	17.5
160.05292	0.9
161.05980	2.9
161.09641	5.4
168.21082	0.7
169.06413	1.2
169.07668	2.2
170.07286	5.3
171.04488	1.1
171.08063	4.0
172.05241	2.5
172.08888	0.8
173.06015	3.1
174.06786	31.3
175.07631	3.3
175.08853	0.7
179.09015	1.1
181.06384	0.7
185.05986	0.9
185.09610	1.0
186.06689	1.2
187.07562	13.0
188.08371	3.1
189.05522	2.6
189.09122	100.0
190.09607	0.8
191.07100	0.8
198.06827	1.1
199.07561	2.0
201.05600	1.6
201.09116	36.5
203.07033	4.9
203.10666	2.5
204.07843	8.8
205.08661	1.1
206.02104	0.8
211.44342	0.7
213.09308	0.8
215.18893	0.8
216.07814	2.8
218.04482	5.9
218.09383	1.1
219.10188	3.4
221.11700	2.9
231.06688	0.8
231.10199	6.6
249.11243	77.9
249.16678	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	249.1124
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
55.01871	2.0
55.05511	0.9
70.76638	1.8
75.64444	0.8
79.05425	1.1
83.04971	1.0
91.05489	1.6
94.22029	0.8
98.50043	0.8
105.07014	1.4
107.04987	1.0
111.43394	0.8
115.05483	1.6
117.07013	1.7
121.06490	1.1
123.11756	1.0
128.06201	1.8
129.07048	3.9
131.04938	1.6
131.08603	1.9
132.05771	1.0
133.06447	1.1
137.05954	1.2
138.06754	1.0
141.07019	1.6
143.04918	1.0
144.05701	2.4
145.06488	4.8
146.07277	2.3
147.08038	1.1
151.07550	6.2
157.06512	6.2
158.07303	10.9
159.04437	5.3
159.08043	5.5
160.05161	1.2
160.08871	2.8
161.05965	2.9
162.06793	1.3
165.05516	1.2
171.08072	2.9
172.08852	11.3
173.06006	5.3
174.06784	30.1
175.07526	3.3
176.08357	2.5
177.09096	3.9
186.06660	1.1
187.07567	6.1
188.08348	13.3
189.09131	100.0
191.10674	3.7
192.79324	0.9
200.08446	1.9
201.09123	35.3
201.10991	2.0
202.09904	8.2
203.07042	1.4
203.10692	25.3
213.09128	3.4
219.10197	4.4
231.10178	20.3
249.09013	1.4
249.11284	15.5
263.31873	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
51.17553	2.0
53.39150	2.0
57.03437	4.5
60.08189	3.1
65.48033	2.3
67.05511	4.2
69.98574	8.2
75.30229	2.1
79.05498	8.4
81.07061	4.8
87.72251	2.4
90.20567	2.4
91.05473	22.9
93.07015	2.7
95.04948	2.2
95.08618	5.4
98.27810	2.2
103.05469	6.3
105.07029	19.2
105.19715	2.5
107.04962	17.4
115.05466	26.3
116.06248	9.3
117.07014	13.4
119.05012	3.6
121.06496	6.5
128.06229	38.8
129.07008	58.2
131.04938	11.3
131.08575	24.4
132.05721	6.4
133.06476	19.6
133.10149	6.1
141.06985	30.0
142.07767	9.2
143.08586	14.9
144.05698	34.3
145.06514	22.8
146.03645	6.6
146.07286	14.3
147.04407	10.9
147.08008	3.3
152.06230	6.1
153.06995	11.3
155.04913	3.1
155.06044	10.1
156.05742	7.6
157.06500	38.8
158.07323	5.6
159.08058	34.4
160.05238	5.7
161.06027	18.3
161.09608	35.3
167.07089	13.5
169.06439	4.8
169.07741	4.1
170.07285	10.4
171.08015	34.9
172.05222	7.2
173.05960	19.3
174.06783	6.0
175.07568	9.8
178.06238	19.6
186.06822	3.4
187.07561	49.4
188.08218	3.2
189.05508	8.2
189.09129	81.9
189.12729	6.0
190.04988	7.3
191.07047	5.6
192.07878	5.4
193.08627	13.3
199.07536	23.3
201.05466	4.2
203.10754	3.1
204.07840	39.3
205.08633	14.8
206.09419	4.9
216.07837	15.2
217.08646	4.0
217.12222	7.5
219.08415	1.8
219.10172	98.8
221.11746	100.0
231.10182	27.0
249.07277	6.6
249.11166	48.8
249.14671	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	249.1124
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
50.73837	0.4
53.51057	0.4
55.01864	0.8
56.13186	0.3
66.73773	0.4
70.82930	0.4
70.83255	0.7
81.03428	0.4
91.05481	1.3
95.08659	0.5
103.05482	0.9
105.03384	0.6
105.07030	0.9
107.05016	0.4
115.05433	2.4
116.06232	0.6
117.07016	1.4
120.04498	0.6
128.06213	1.1
129.07027	3.6
131.04927	8.5
131.08580	1.0
133.06483	1.6
141.06995	1.2
143.04930	1.3
143.08527	0.7
144.05688	1.3
145.06497	4.7
146.07281	1.3
147.04416	0.9
151.03915	2.9
151.07553	4.6
155.04924	0.5
155.06050	0.7
155.95468	0.4
157.06493	6.5
158.07289	10.5
159.04431	16.0
159.08055	2.9
160.08885	0.7
161.05992	11.9
162.06801	0.4
165.05499	0.8
171.04353	0.6
171.08038	1.0
172.08858	3.0
173.06021	4.0
174.06776	32.6
175.03917	0.8
175.07526	1.7
177.05486	0.5
177.09105	1.1
185.05989	0.7
186.06828	0.8
187.07552	1.7
188.04720	1.8
188.08305	3.8
189.05540	9.3
189.09116	100.0
190.05011	2.1
191.10725	0.5
199.07527	0.4
201.05492	12.2
201.09114	40.7
202.09872	1.1
203.06996	1.4
203.10669	5.7
204.07867	1.1
206.07274	0.7
213.09030	0.4
219.06482	2.1
219.10129	3.8
221.11600	0.6
231.06604	4.2
231.10143	4.9
234.06760	0.5
249.07373	1.5
249.09099	1.7
249.11075	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	249.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56517	0.4
56.70544	0.5
63.99535	0.4
67.05493	0.6
69.66924	2.5
72.68056	0.4
79.05489	1.2
80.05814	0.6
91.05474	0.6
93.07072	0.4
94.07409	0.5
98.28629	0.4
103.05489	0.7
105.07016	0.4
107.08598	1.3
108.08942	0.8
115.05452	0.8
128.06194	0.9
129.06990	1.8
131.04964	0.8
141.06967	0.5
143.04938	1.1
144.05704	1.4
145.06479	1.4
146.07271	0.8
150.13628	0.6
157.06528	4.4
158.07288	11.1
159.04427	4.3
160.08658	0.5
160.57239	0.4
163.38353	0.4
169.02750	0.5
172.08864	1.5
173.06027	0.9
174.06790	31.0
175.07507	0.8
186.06686	0.5
187.07504	0.6
188.08310	2.1
189.09129	100.0
190.09422	0.7
201.09131	39.8
202.09782	1.1
203.10703	2.9
213.09204	0.5
219.10202	3.0
231.10216	2.3
249.08955	0.8
249.11349	1.6
249.16380	0.5
267.47943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
55.01873	1.3
60.08159	1.6
69.03448	0.8
69.63772	2.1
69.64175	1.7
81.03407	0.9
81.07075	0.6
83.05009	1.0
91.05499	1.1
94.06561	1.0
95.08664	0.6
97.02891	1.2
99.56570	0.7
103.05445	0.9
105.03362	0.8
105.07024	1.3
107.04927	0.7
115.05468	2.4
117.07016	1.8
120.04495	3.2
128.06258	1.9
129.06979	3.5
130.07811	1.0
131.04942	7.2
131.08574	1.9
133.06517	1.1
141.07004	1.5
143.04948	1.0
143.08582	0.9
144.05730	1.3
145.06494	4.0
146.07266	1.1
147.04414	1.2
151.03926	1.5
151.07510	3.5
157.06552	6.1
158.06085	1.2
158.07291	10.3
159.04431	10.9
159.08049	2.6
160.05066	0.7
161.06015	10.2
162.05518	1.3
171.08012	0.9
172.05249	0.7
172.08824	2.8
173.05986	4.3
174.06786	31.8
175.07530	1.5
177.09120	1.1
183.08188	0.8
185.06049	0.9
186.06691	0.8
187.07545	2.2
188.04712	1.2
188.08351	4.1
189.05574	8.9
189.09126	100.0
190.05011	8.2
191.08531	1.3
191.10695	1.0
193.43802	0.7
201.05481	12.3
201.09125	42.1
202.09792	0.9
203.07066	1.7
203.10689	6.4
204.07828	1.2
213.09120	1.8
219.06601	1.8
219.10114	3.7
221.11687	0.8
231.06575	4.3
231.10182	5.1
249.09026	3.0
249.11525	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	249.1124
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
51.44636	0.7
51.82319	0.7
55.01870	1.9
57.07080	6.7
69.92234	3.4
81.31352	0.8
82.11230	1.0
82.24685	0.7
91.05478	1.4
94.77621	0.8
100.66924	0.8
109.78745	0.8
115.05396	0.8
115.28742	1.0
117.07037	1.2
121.06541	1.2
122.66660	0.8
128.06258	1.8
129.07039	5.2
131.04965	1.2
131.08583	1.3
133.06464	0.8
136.63574	0.7
137.05991	4.2
141.06978	1.2
142.41344	0.8
143.04961	1.3
144.05678	1.8
145.06470	7.5
146.07278	2.6
151.07544	6.8
157.06551	6.6
158.07278	13.0
159.04488	4.4
159.08023	4.8
160.08836	2.2
161.06029	2.2
162.06764	0.9
165.05496	1.3
169.07709	0.9
171.08128	1.5
172.08878	10.9
173.05992	5.1
174.06789	27.5
175.07562	3.3
176.08347	1.6
177.09129	4.2
187.07570	7.5
188.08353	11.5
189.09125	100.0
191.10643	2.8
193.12241	9.7
199.07584	1.1
200.08289	1.4
201.09129	36.4
202.09908	6.4
203.10683	23.0
213.09125	3.2
216.07758	1.2
219.10112	4.9
231.10167	19.3
236.68568	0.8
249.09044	1.5
249.11270	11.9
249.18509	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
62.22979	0.5
65.73589	0.5
66.66441	0.5
69.97369	2.1
79.38680	0.5
84.99453	0.5
86.19749	0.5
98.20733	0.7
99.40672	0.5
111.20683	0.5
112.15809	0.5
116.06257	0.7
128.06241	0.7
129.07011	2.5
131.04907	0.8
132.37971	0.6
140.06223	0.6
143.04910	1.2
144.05701	1.7
145.06462	1.6
146.07196	1.0
151.07562	2.0
155.06058	0.6
157.06519	4.7
158.07281	11.5
159.04440	4.7
159.08099	1.3
172.08824	1.7
173.06003	1.1
174.06783	34.9
175.07639	0.6
177.09106	0.6
178.85257	0.5
185.05991	0.7
188.08313	1.4
189.09123	100.0
191.10818	0.7
201.09125	41.5
202.09940	0.6
203.10680	4.1
219.10181	3.5
231.10184	2.3
249.11343	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
55.01869	2.6
67.77868	0.7
69.21649	8.2
85.93604	0.8
91.05489	0.8
105.07047	1.2
115.05482	1.4
117.07038	1.3
121.06520	1.5
122.13416	0.8
128.06203	2.7
129.07022	4.2
131.04912	1.5
131.08585	2.2
134.08681	0.9
136.05215	1.0
138.06789	1.1
141.07010	1.7
143.04912	1.0
143.08614	1.1
144.05725	2.1
145.06537	5.4
146.07254	2.1
151.07559	6.9
157.06500	5.8
158.07280	10.6
159.04445	3.8
159.08113	4.0
160.05206	0.8
160.08867	1.6
161.06013	1.9
163.41064	0.9
165.05487	2.3
171.08105	2.1
172.08871	10.0
173.06021	5.1
174.06783	25.7
175.07578	2.7
176.08275	1.9
177.09174	4.1
187.07562	5.5
188.08328	12.6
189.09122	100.0
191.10757	3.8
200.08351	1.0
201.09131	34.4
202.09938	6.9
203.10687	25.3
213.09096	2.9
216.07849	1.4
218.09410	1.0
219.10199	5.1
221.11780	1.1
231.10185	20.6
249.08884	0.8
249.11200	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	249.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
55.13497	0.7
55.93541	0.7
56.02186	0.7
57.07082	0.8
59.04996	2.4
60.08168	3.4
67.05529	0.6
68.99763	0.7
79.05502	0.9
81.03414	0.7
81.07055	1.4
91.05483	1.4
93.07015	1.0
95.04908	0.9
95.08588	1.0
105.07029	0.8
106.68462	0.6
115.05430	1.1
117.53362	0.6
120.04479	6.9
128.06242	1.5
129.07033	3.5
131.04895	1.6
131.08557	0.7
133.10167	0.8
137.06053	0.9
140.30859	0.7
141.06982	0.7
143.04926	0.9
144.05722	1.2
145.06493	1.9
147.08031	1.1
151.07564	1.8
155.27016	0.6
157.06483	4.9
158.07288	11.8
159.04431	8.0
159.08073	1.5
161.06033	0.8
162.05489	3.2
172.03935	1.2
172.08794	1.8
173.05963	1.7
174.06772	42.9
175.07484	1.0
187.07506	0.9
188.08362	3.7
189.09119	100.0
190.04997	17.8
191.10703	0.7
200.06253	0.8
201.09114	39.1
203.10669	5.7
206.07335	1.2
219.10197	2.9
231.10074	3.6
231.13730	1.3
234.06818	1.4
249.09114	5.7
249.12338	22.6
249.14899	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1125
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
53.03959	1.4
55.01884	1.7
55.05517	1.5
55.36420	1.0
57.03431	1.4
58.06606	1.2
59.05009	2.3
60.08163	9.1
60.64041	1.1
67.05499	2.9
68.99800	2.4
69.03431	3.6
69.07085	1.7
70.82999	1.9
70.83329	2.0
79.05482	3.5
81.03427	1.9
81.03864	1.1
81.07053	3.1
85.02908	1.4
87.00861	1.5
91.05494	7.1
93.07052	4.2
95.08624	4.3
97.02878	1.5
103.05452	2.6
105.03403	2.2
105.07038	6.0
107.04980	2.4
107.08591	2.4
115.05467	6.3
116.06213	1.1
117.07015	4.4
119.04939	1.3
119.08576	2.7
120.04478	15.9
121.06443	1.3
121.10149	2.2
121.78091	1.1
123.08015	1.3
128.06238	9.0
129.07021	20.7
131.04951	8.2
131.08572	15.3
132.05743	1.1
133.06517	3.6
133.10170	3.3
141.06995	7.5
142.07765	3.7
143.04878	1.2
143.08574	4.6
144.04663	1.5
144.05664	6.6
145.06477	8.2
146.07277	5.2
147.04349	1.3
147.08022	3.0
151.03923	2.6
151.07576	3.4
153.06978	1.2
155.06041	2.1
156.05745	2.1
157.06520	13.7
158.07289	11.7
159.04446	14.9
159.08069	24.6
160.05223	1.5
160.08867	1.3
161.05991	14.3
161.09555	6.3
162.05482	4.3
169.06462	1.9
169.07741	2.9
170.07281	6.2
171.08032	6.5
172.03905	1.8
172.05234	2.2
172.08900	1.9
173.06030	6.5
174.06783	35.1
175.07590	4.5
177.09111	1.6
178.07822	2.1
184.05121	1.3
185.05997	2.3
186.06683	2.1
187.07565	17.8
188.08353	4.9
189.05560	11.1
189.09122	100.0
190.04994	41.4
191.08592	5.4
191.10439	1.3
193.08582	1.6
197.99344	1.3
198.06784	1.6
199.07475	1.5
201.05510	14.4
201.09105	39.0
202.09909	1.5
203.07004	6.0
203.10735	7.0
203.14337	1.8
204.07889	11.4
205.08536	2.6
213.09103	1.4
214.08731	1.7
216.07938	3.2
217.08769	2.0
219.06474	1.3
219.10022	6.4
221.11742	3.0
231.06540	6.7
231.10097	9.8
249.08934	7.7
249.11029	85.7
249.18561	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	249.1125
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
53.03934	1.1
53.63385	0.9
54.47935	0.9
55.01872	1.4
55.05503	1.0
57.03436	1.1
58.06607	1.4
59.04997	1.3
60.08169	9.3
67.05515	1.9
68.99786	1.9
69.03431	4.7
69.07093	1.0
69.08521	0.8
69.15810	3.5
69.16241	4.5
70.25916	0.8
70.29663	0.7
71.05005	1.0
71.89852	0.9
76.37392	0.7
78.16414	0.9
79.05499	2.5
81.03436	4.0
81.07078	4.8
81.41363	0.8
85.02921	5.8
85.48302	0.9
87.00842	2.6
88.37032	0.9
91.05019	1.1
91.05505	8.1
91.41483	0.8
93.07056	3.4
94.06601	1.0
95.04972	1.7
95.08597	1.0
97.02903	3.3
97.06507	1.0
98.97586	2.8
99.04457	2.3
103.05492	2.4
105.03396	1.7
105.07040	8.4
107.04967	3.0
107.08603	1.9
109.02895	2.3
109.06561	1.6
109.10233	1.2
115.05457	6.6
116.06244	2.3
117.07021	4.7
119.04964	2.1
119.08604	2.6
119.61189	0.8
120.04479	16.2
121.06557	1.6
121.10091	0.8
127.03957	4.6
127.05396	1.0
128.06262	8.5
129.07013	19.7
130.07829	2.2
131.04959	6.3
131.08572	18.2
132.05692	2.3
133.06482	3.4
133.10127	3.0
135.04422	1.3
141.07005	9.1
142.07776	3.0
143.04976	1.7
143.08562	4.1
144.05713	8.1
145.06490	8.6
145.10133	2.3
146.07265	3.9
147.04460	3.9
147.08054	1.9
147.11719	1.2
149.02376	1.7
151.03944	2.5
151.07545	2.1
153.06976	2.6
155.06073	2.5
156.05699	3.0
157.06503	13.0
157.10132	1.8
158.07269	10.0
159.04443	10.2
159.08054	26.5
160.05183	1.9
161.05991	9.5
161.09641	7.2
162.05540	4.6
167.07031	1.6
168.73128	0.8
169.06400	2.4
169.07648	3.4
170.07292	6.3
171.04443	2.5
171.08063	6.7
171.11789	1.0
172.03917	1.6
172.05238	2.4
172.08865	2.1
173.06047	6.2
174.06784	25.1
175.07574	4.7
177.05504	2.0
178.07822	2.0
185.06065	1.6
185.09663	1.2
186.06859	1.3
187.07553	18.9
188.04697	1.7
188.08394	4.4
189.05527	12.1
189.09122	74.1
190.04993	38.3
190.07796	1.9
191.07019	1.3
191.08595	7.8
198.06841	1.6
199.07579	2.2
201.05472	6.8
201.09113	31.1
203.07053	6.4
203.08794	1.4
203.10666	5.0
204.07834	12.9
205.08658	3.1
206.07301	1.0
207.10432	0.9
213.09125	1.4
214.08694	1.4
216.07819	4.4
217.08614	1.4
218.09401	1.6
219.08095	5.1
219.10208	7.0
221.08121	1.1
221.11743	3.3
229.07567	1.3
231.06535	2.9
231.10152	8.9
231.13831	1.1
231.17603	1.0
234.08882	1.1
249.08958	11.3
249.11079	100.0
249.18471	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	249.1124
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
55.01829	0.9
67.05459	2.1
67.05775	0.7
69.03422	3.0
71.52831	0.8
72.56965	0.4
79.05450	0.9
81.03357	1.4
81.07004	1.4
83.04952	1.0
85.02878	1.3
86.37537	0.4
91.05478	2.4
93.06998	1.2
95.04910	2.0
97.02893	0.8
98.97540	1.0
103.05445	1.1
105.07051	2.8
107.04916	0.7
107.08587	1.2
109.02848	0.7
109.06442	0.9
115.05410	1.5
117.06985	1.5
119.08571	3.5
121.06479	0.6
121.10117	0.7
123.04438	0.6
123.08062	0.6
127.03851	1.1
128.06192	1.8
129.07024	3.4
131.04898	3.2
131.08594	1.2
133.06395	0.6
133.10101	1.5
135.04366	0.9
135.07956	0.7
137.09622	0.6
143.04956	0.9
143.08597	0.7
144.05669	1.7
145.06453	2.2
146.07219	1.1
147.08043	9.9
147.11679	0.8
151.03918	0.6
151.07538	2.6
157.06476	5.5
157.10010	0.6
158.07288	13.2
158.99643	0.5
159.04414	6.1
159.08022	1.4
161.05981	3.9
161.09618	0.9
171.04375	0.9
172.05090	0.5
172.08846	1.8
173.05997	2.2
174.06786	31.2
175.07553	2.1
177.09090	0.7
178.07780	1.5
185.05969	0.9
185.09766	0.5
185.19199	0.5
186.06786	1.1
187.07579	1.3
188.08325	2.2
189.05634	4.3
189.09120	100.0
190.05052	0.8
190.07843	2.8
190.09354	0.7
191.08566	11.6
193.10191	0.7
200.08289	0.6
201.05556	2.9
201.09109	41.3
202.07939	1.1
202.09814	1.0
203.06946	0.6
203.08624	1.5
203.10704	4.7
205.08517	0.6
213.12772	1.1
219.08105	6.7
219.10201	3.1
229.07578	0.8
231.06561	1.6
231.10231	4.1
231.13849	2.9
249.09155	18.3
249.11395	3.7
249.14868	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
56.27688	0.2
67.05502	0.3
69.03430	1.3
69.07058	0.3
70.76620	0.6
71.04989	0.2
74.32367	0.2
79.05490	0.6
81.03411	0.7
81.07065	0.4
83.04999	0.4
85.02905	1.4
87.00807	0.3
91.05475	0.7
93.07040	0.4
95.04979	0.6
95.08643	0.3
96.58642	0.2
97.02904	0.6
98.97610	0.3
99.04463	0.3
105.01844	0.3
105.07050	0.7
107.04943	0.4
107.08640	0.3
109.02870	0.3
109.06557	0.3
109.10183	0.3
115.05465	0.6
117.07050	0.5
119.08580	0.4
127.03921	0.9
128.06215	0.6
129.07030	1.3
131.04933	0.4
131.08524	0.5
135.04451	2.3
143.04939	0.5
144.05719	0.7
145.06503	1.0
146.07288	0.3
147.08125	0.5
151.07547	1.3
153.06976	0.3
157.06516	2.1
157.10277	0.3
158.07291	3.7
159.04427	1.9
159.08073	0.7
161.05989	0.5
161.09679	0.4
165.07033	1.4
171.04449	0.4
172.08841	1.0
173.06041	0.8
174.06783	10.6
175.07466	0.3
176.06235	0.3
177.05620	0.4
177.06958	0.5
177.09206	0.4
178.07796	6.2
179.08572	0.9
180.78406	0.2
186.06824	0.3
187.07640	0.6
188.08374	1.1
189.07123	3.1
189.09120	31.0
190.07794	10.9
190.09521	0.5
191.08571	60.3
193.10173	3.6
201.07062	2.2
201.09091	12.7
202.07828	5.8
202.09756	0.7
203.08585	6.6
203.10687	2.3
205.06476	1.8
206.07339	0.8
207.08049	0.6
213.09135	0.7
218.07304	1.0
219.08081	36.0
219.09949	1.2
219.97563	0.3
220.08646	0.5
221.06094	0.4
221.09677	2.0
222.06813	0.4
229.07628	4.8
231.08089	1.1
231.10193	2.0
231.13794	0.5
232.08836	0.5
234.06773	0.5
247.07567	0.5
249.09123	100.0
250.09467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
53.62455	0.7
57.07076	1.4
58.13895	0.7
59.04997	1.5
60.08149	2.0
61.29593	0.7
69.48103	1.5
69.48509	4.4
70.49033	0.6
81.07079	1.0
91.05479	1.1
94.94245	0.9
116.07107	0.7
117.07033	0.6
120.04466	4.2
128.06181	1.4
129.06989	2.9
131.04936	0.9
134.10410	0.6
135.04349	0.8
137.02069	0.8
143.04845	0.8
144.05676	1.1
145.06473	2.4
146.07225	0.9
149.93210	0.7
151.07533	3.2
157.06464	4.8
158.07274	12.2
159.04469	3.9
159.08054	2.0
162.05486	2.3
171.07915	0.8
172.08899	2.4
173.05975	1.1
174.06772	32.9
175.07571	1.3
177.09079	1.3
185.06020	0.8
186.06920	0.8
187.07634	1.3
188.08296	3.5
189.09117	100.0
190.05020	10.0
193.12299	0.9
201.09109	40.6
202.10031	1.0
203.10701	4.2
219.10170	3.0
231.10121	3.6
249.08934	1.4
249.12320	11.8
249.18311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
54.61599	0.5
59.31386	0.5
59.75127	0.5
70.91925	1.3
108.94881	0.5
117.07070	0.7
128.06197	0.9
129.07028	2.5
131.04904	1.6
143.04945	0.7
144.05734	1.3
145.06470	1.9
146.07300	1.2
151.07550	1.0
157.06467	5.2
158.07297	12.6
159.04437	7.7
159.08055	1.2
172.08864	1.8
173.05989	1.7
174.06784	39.8
175.07410	0.6
186.06718	0.9
188.08351	3.4
189.09128	100.0
190.04985	1.0
190.07733	0.7
191.08588	1.2
201.09120	38.3
202.09956	1.0
203.06628	0.6
203.10704	4.3
206.07256	1.1
213.51813	0.6
215.67046	0.6
219.10141	1.8
231.10124	2.8
234.06766	0.6
249.05478	2.8
249.09058	5.9
249.11234	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.5
57.68434	0.6
58.11296	0.7
59.04985	1.8
60.08147	2.4
62.17213	0.7
65.03928	1.2
66.88699	0.7
67.05494	1.0
68.99801	0.9
71.52584	0.9
79.05511	1.1
81.03413	2.7
81.07034	1.1
85.06525	0.7
88.58163	0.6
91.05469	2.9
95.04959	1.0
95.28191	0.7
103.05489	0.7
105.07023	4.6
115.05468	5.3
117.07012	4.9
119.08619	1.1
120.04464	4.1
128.06218	2.3
129.06990	2.7
131.04936	17.5
131.08597	0.7
133.06477	2.0
135.03365	0.8
143.04895	3.4
143.08549	1.0
144.05710	1.6
145.05414	1.2
145.06499	16.6
146.07272	1.0
147.04413	2.1
151.03912	36.3
151.07503	4.1
155.04897	1.6
155.06059	2.0
157.06500	5.4
158.07263	10.6
159.04433	21.3
159.08037	2.2
161.05995	8.3
161.13261	0.8
162.05495	2.8
171.04457	1.3
171.08109	1.1
172.05196	2.3
172.08858	6.2
173.05998	15.0
174.06776	33.8
175.03896	2.4
175.07547	3.4
176.08348	1.3
177.05530	1.6
177.09117	2.0
185.06108	0.8
187.07597	3.6
188.08322	6.3
189.05490	70.4
189.09113	100.0
190.04988	10.7
191.10593	1.7
195.07835	0.8
200.08371	1.1
201.05484	27.2
201.09119	35.4
202.06216	5.3
202.09863	3.0
203.07060	11.1
203.10649	12.5
213.05446	3.0
213.09172	1.9
219.06538	6.3
219.09973	3.7
231.06551	14.1
231.10103	10.4
249.07275	5.2
249.12233	11.1
249.18596	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
52.38100	1.0
55.01861	2.0
56.17808	1.0
59.04993	3.4
60.08168	2.0
68.87722	1.0
68.99803	1.1
70.06593	1.0
71.52901	1.1
71.53294	1.2
79.05479	1.9
81.07057	2.7
91.05475	1.6
93.07024	2.2
95.04958	3.2
105.07030	2.2
107.08562	1.1
109.06515	1.5
115.05447	1.7
116.32553	1.1
117.07022	1.6
119.08543	2.0
120.04474	2.6
128.06181	1.9
128.34738	1.1
129.07014	3.7
131.04971	1.4
131.08577	1.5
143.04950	2.1
143.08534	2.6
145.06505	3.7
145.10120	3.2
146.07321	1.3
147.08028	1.5
151.03915	1.4
151.07544	2.2
157.06491	5.2
158.07260	12.7
159.04420	6.7
159.08012	2.4
161.05957	1.2
161.09650	1.6
162.05490	1.9
172.08777	2.5
173.06065	2.4
174.06779	41.4
175.07567	1.2
177.09207	1.6
178.07777	1.3
185.13286	1.6
187.07481	1.8
188.08316	4.6
189.09122	100.0
190.04980	6.5
191.10655	1.2
201.07300	2.2
201.09131	37.1
202.10068	1.3
203.08780	2.0
203.10675	7.6
203.14284	1.6
219.10155	3.0
231.10121	5.6
231.13805	3.9
234.06763	1.4
249.08984	3.3
249.12219	6.4
249.14919	3.5
249.18593	1.4
269.97836	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30267	0.4
55.01849	0.5
55.05486	1.1
60.08175	1.9
67.05508	2.7
68.05822	1.0
69.07056	0.8
70.96658	0.8
72.08169	3.5
73.08487	1.6
79.05515	3.2
80.05811	1.1
81.07068	4.0
82.07365	1.3
91.05489	1.7
91.89333	0.4
92.05806	0.8
93.07047	3.2
94.06573	0.4
94.07371	2.0
95.04958	0.4
95.08603	0.9
96.08959	0.4
105.07014	1.0
106.07349	0.6
107.08636	1.7
107.09198	0.3
108.08952	1.7
109.10173	0.4
110.06853	0.6
110.10477	0.4
115.05461	0.5
117.07009	0.4
119.08600	0.5
120.04480	4.2
121.06488	0.4
121.10109	0.6
128.06239	0.4
129.06966	1.2
131.08493	0.4
133.10129	0.5
145.06493	0.5
146.07256	0.5
148.12047	0.3
150.13570	0.9
151.07632	0.6
157.06512	2.1
158.07294	4.0
159.04385	1.9
159.08131	0.6
162.05550	1.6
165.07030	1.6
172.04013	0.4
172.08856	1.1
173.05977	0.6
174.06784	14.7
176.06206	0.4
177.06879	0.6
178.07797	6.0
178.13132	0.7
179.08516	0.6
185.05939	0.4
188.08356	1.4
189.07120	3.4
189.09123	37.4
190.05054	10.5
190.07759	11.4
190.09500	0.7
191.08577	55.7
193.10159	4.1
195.08136	0.5
201.07066	2.0
201.09103	15.4
202.07819	4.5
202.09671	0.5
203.08583	6.0
203.10692	2.2
205.06593	1.9
206.07327	0.6
207.08080	0.4
218.07306	1.0
219.08089	33.9
219.10027	1.6
220.08884	0.5
221.05978	0.5
221.09682	2.5
229.07625	3.9
231.08064	2.0
231.10260	1.2
232.08891	0.7
234.06796	1.2
247.07565	0.7
249.09152	100.0
249.12271	11.9
249.20476	9.7
250.09479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0912
Annotation	1-Hydroxy-6-methoxypyrene
Peak:m/z	Relative Intensity
53.03941	0.4
55.01863	0.4
57.52919	0.2
58.45516	0.2
65.94021	0.3
67.05489	0.4
69.03421	0.9
71.04984	0.4
71.52327	0.3
72.73881	0.2
72.81512	0.2
72.87632	0.3
73.62340	0.2
79.05500	0.6
81.03400	0.8
81.07046	0.4
85.02916	1.3
91.05469	0.6
93.07023	0.4
95.04952	0.4
95.08591	0.3
97.02870	0.4
97.06561	0.2
98.97586	0.5
99.04444	0.5
105.07008	0.5
106.76275	0.3
107.08574	0.3
109.02849	0.5
115.05475	0.7
116.98625	0.3
117.07018	0.4
119.04923	0.3
119.08568	0.7
121.18702	0.2
122.56339	0.3
127.03918	0.7
128.06247	0.4
129.06955	0.7
131.08632	0.3
133.10138	0.6
134.98067	0.2
135.04433	2.3
136.05287	0.2
141.07053	0.2
143.08562	0.5
144.05643	0.3
145.06494	0.6
151.03912	0.2
151.07562	0.8
157.06508	0.9
158.07260	1.8
159.04424	1.0
159.08067	0.7
161.05936	0.6
161.09576	0.3
165.06998	1.9
172.08821	0.6
173.05975	0.4
174.06793	5.3
175.07613	0.3
177.06995	1.0
178.07796	6.6
179.08571	0.6
187.07579	0.4
188.08311	0.8
189.05481	0.5
189.07060	3.4
189.09117	15.8
190.05112	0.5
190.07782	11.5
191.08572	60.3
193.10138	4.4
201.07024	2.4
201.09109	6.2
202.07800	5.5
202.09711	0.3
203.08624	6.1
203.10643	1.2
204.09422	0.3
205.06465	2.0
206.07358	0.5
207.08115	0.5
213.09114	0.4
218.07324	1.2
219.08078	33.4
220.08673	0.4
221.06126	0.5
221.09676	2.0
222.06747	0.4
229.07632	5.4
231.08061	1.0
231.10150	1.4
232.08868	0.6
247.07553	0.7
248.08426	0.4
249.09131	100.0
250.09494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00352	0.9
55.01877	4.2
59.04992	1.6
60.08165	3.2
61.31444	0.7
65.03938	1.2
67.05506	1.3
68.99789	1.3
71.44397	0.7
79.05495	1.2
81.03426	4.8
91.05502	2.5
95.04969	1.2
95.08632	1.5
98.21601	2.0
103.05481	1.6
105.07040	4.1
115.05437	5.7
116.06322	0.8
117.07026	5.0
119.04935	1.2
119.08572	1.2
120.04478	4.3
121.06544	0.8
123.04466	1.3
128.06219	1.9
129.07028	3.0
131.04932	21.1
133.06503	2.1
141.07071	0.8
143.04919	3.6
144.05727	2.7
145.06488	18.6
146.07256	1.6
147.04457	1.1
147.08139	1.1
151.03917	42.9
151.07561	3.3
155.04950	1.9
155.06079	1.4
157.06467	4.7
157.10208	0.9
158.07298	10.6
159.04433	25.1
159.08038	2.5
161.06000	9.4
161.13283	1.2
162.05507	3.0
171.04471	1.1
172.03986	0.9
172.05286	2.3
172.08850	3.9
173.05989	16.4
174.06781	34.9
175.03955	1.9
175.07562	2.6
177.05505	1.2
177.09090	1.6
183.04401	1.4
185.06012	1.3
186.06856	1.2
187.07579	2.0
188.08392	5.4
189.05493	82.1
189.09122	100.0
190.04990	11.4
201.03592	1.5
201.05489	30.5
201.09119	41.4
202.06345	6.5
202.09985	1.3
203.07036	16.6
203.08879	1.4
203.10654	7.7
213.05486	3.2
213.09045	1.0
219.06570	7.9
219.10138	5.2
221.08205	1.4
231.06548	18.7
231.10078	6.5
249.07179	6.1
249.12244	12.2
249.18581	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	249.076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01862	2.2
55.05506	1.7
57.03425	0.7
58.64595	0.6
59.05006	1.1
67.05495	2.3
68.99786	1.2
69.03433	4.1
69.07068	2.2
71.05000	1.4
71.52535	0.8
76.54832	0.7
79.05476	2.9
81.03413	3.0
81.07050	2.3
83.05000	1.0
83.08622	1.3
85.02896	2.8
88.31605	0.8
91.05490	6.2
93.07036	2.6
95.04974	7.8
95.08601	1.7
97.02874	1.6
97.06545	5.9
103.05466	2.6
105.03389	3.0
105.07043	4.5
107.04955	2.5
107.08584	1.9
109.06521	1.5
109.10147	1.4
111.08084	1.2
113.06037	1.0
115.05469	10.0
117.07039	4.2
119.04933	1.5
119.08547	1.6
121.06563	0.9
121.10220	0.9
123.04440	1.7
123.11695	1.3
127.03938	1.9
128.06253	1.6
129.07010	4.1
131.04944	33.6
131.08595	1.8
133.06500	4.2
133.10150	0.8
135.04424	2.6
136.05174	0.8
137.05913	1.4
141.07037	1.0
143.04932	3.7
143.08604	1.3
144.05644	1.5
145.06506	7.9
145.10132	1.0
146.07263	1.2
147.04424	1.0
147.08067	1.7
148.32681	0.8
149.02319	0.8
149.06018	1.1
150.27953	0.8
151.03929	2.7
151.07558	4.0
153.09169	0.8
155.06053	0.9
156.05739	0.8
157.06491	5.4
158.07291	11.4
159.04434	53.9
159.08047	2.8
161.05998	55.3
163.03903	2.5
171.04422	3.3
172.05148	1.0
172.08829	3.5
173.06007	6.0
174.06787	31.0
175.03917	1.1
175.07567	2.4
177.05550	4.2
177.09206	1.3
178.07770	1.3
185.09796	0.9
185.27168	0.8
187.07555	1.7
188.04694	7.2
188.08354	3.6
189.05508	40.4
189.09126	100.0
190.05009	2.2
190.07780	2.9
190.09512	0.8
191.06979	1.3
191.08549	9.3
201.05490	54.7
201.09116	38.2
202.09897	1.3
203.07005	1.6
203.08783	1.3
203.10649	6.5
204.07845	1.4
205.08630	3.3
207.13791	1.7
213.09117	1.0
219.06343	8.3
219.08162	3.3
219.10217	3.7
231.06583	4.8
231.10188	6.3
249.09505	15.3
249.11446	5.8
249.14923	4.2
249.18520	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91695	1.1
51.02363	1.1
53.03949	9.9
55.01666	0.9
55.01876	10.1
57.03191	1.3
57.03440	13.8
58.06600	1.9
59.04978	1.6
60.08174	4.6
61.02933	4.8
66.16557	0.9
68.99787	7.3
69.03432	89.2
70.68549	2.3
71.01353	2.4
71.04996	11.5
72.04494	1.1
73.02917	9.3
81.03423	54.1
83.01346	1.8
83.61696	1.2
85.02908	100.0
86.09718	1.3
87.00832	50.2
87.04461	3.2
97.02895	37.3
98.97549	1.3
99.04456	34.1
101.02351	3.3
105.01865	19.2
105.03387	1.2
107.05059	1.2
109.02882	43.5
111.04439	1.2
115.03930	2.5
115.05429	2.1
120.04462	7.6
127.03922	79.1
129.01834	3.1
134.06030	2.1
139.03911	1.8
143.04816	1.2
145.04990	7.8
145.06122	1.1
146.06059	1.7
147.02805	1.6
159.02887	3.4
160.07587	4.1
161.05974	1.0
162.05527	6.0
177.05450	1.1
186.09161	1.3
188.07021	1.5
189.03998	2.0
190.05005	24.4
190.08630	2.9
202.08563	2.0
203.06990	1.8
203.10750	1.1
213.03934	4.3
214.08664	1.3
231.05016	10.0
232.09795	1.8
249.07608	4.1
249.12378	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.9
55.01878	11.0
55.05506	0.6
57.03444	12.3
59.05012	3.7
60.08175	4.3
61.02934	5.4
65.45177	0.4
68.99807	5.1
69.03439	74.8
70.07230	2.0
71.01360	1.8
71.05004	8.3
73.02925	8.5
73.24442	0.4
81.03428	44.8
81.07064	0.7
83.01347	2.1
83.18646	0.5
85.02915	100.0
87.00841	46.2
87.04485	4.3
91.03955	0.8
91.05496	1.7
95.05027	0.7
97.02905	40.2
99.00830	0.9
99.04469	30.1
101.02393	2.0
103.03966	1.3
105.01878	21.5
105.03381	0.8
105.07061	1.1
107.04991	0.8
109.02893	31.4
115.03954	2.5
115.05463	0.7
117.01896	1.1
119.04947	0.5
119.08577	0.6
120.04496	2.0
120.08122	0.6
121.10151	0.6
122.17615	0.6
123.04458	5.3
125.02343	0.6
127.03933	66.7
128.06221	1.2
129.01855	2.9
129.07031	3.1
131.04941	0.7
131.08585	2.8
133.06497	1.0
139.03966	0.7
141.06985	1.5
143.04936	1.6
143.08560	0.8
144.05743	1.1
145.04979	10.9
145.06282	1.1
145.06517	1.0
147.02966	1.1
147.04433	2.2
148.07594	4.1
151.03885	0.6
153.06953	0.6
157.06483	1.4
159.02919	4.6
159.08054	3.8
160.07576	0.9
161.06067	2.7
161.08397	0.9
161.09662	1.1
162.09126	1.3
163.06021	0.8
165.07025	1.5
170.07227	1.2
171.02888	1.2
171.08052	1.0
172.05299	0.6
173.05998	1.0
174.06784	1.1
175.07552	1.1
177.05489	1.0
178.07784	0.7
179.07048	0.8
187.07536	2.5
189.03943	1.8
189.05487	1.0
189.09079	1.1
190.05019	4.3
190.08643	4.0
193.06505	1.8
203.07002	0.7
204.07872	1.4
207.06558	5.3
213.03995	2.6
219.10201	0.8
221.06024	2.0
222.52821	0.6
231.04970	7.7
231.10184	1.3
231.13776	0.6
249.05673	3.4
249.08786	2.1
249.11354	15.4
249.16223	2.6
250.06262	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03744	1.1
53.03952	11.9
55.01884	6.7
55.05517	1.7
57.03442	11.8
58.06606	6.8
59.05003	5.5
59.39409	0.9
60.07927	1.0
60.08168	9.6
61.02940	5.6
68.99805	9.6
69.03436	100.0
70.06586	1.4
71.01379	2.1
71.05006	14.3
71.14684	2.4
72.08161	5.8
73.02922	6.0
74.06059	1.1
80.97737	1.0
81.03426	61.6
83.01340	1.4
83.04993	1.3
84.04468	1.0
85.02913	98.0
86.06067	1.1
86.09753	1.1
87.00839	43.0
87.04469	4.7
91.03949	1.1
91.05482	2.9
94.06555	1.4
97.02903	44.4
98.97588	1.5
99.04465	32.6
105.01878	14.2
105.03392	2.2
105.07035	2.5
107.08559	1.1
109.02889	45.4
109.04867	1.2
110.07166	1.2
111.04501	1.0
115.03899	1.5
115.05447	2.7
119.04964	1.3
119.08587	1.6
120.04485	19.2
122.06074	1.2
127.03928	94.6
129.01826	3.2
130.06450	1.2
131.04892	1.1
133.02853	7.3
133.06497	1.4
134.03706	1.2
134.06010	4.7
145.04968	11.2
145.06538	1.7
146.06038	3.5
147.02852	1.9
147.04404	3.5
148.07559	1.6
150.05502	5.6
151.03960	1.1
158.06030	1.3
159.02899	5.6
160.07597	19.4
161.05986	3.6
162.05511	10.0
171.06819	1.6
172.03941	1.9
174.09155	2.9
175.07585	1.8
178.04965	1.2
184.07603	4.3
185.08435	1.4
186.09146	7.5
189.09186	1.3
190.05006	44.5
190.08627	4.6
191.07040	1.2
196.07610	1.9
202.08664	13.5
203.07076	3.0
204.06577	4.8
204.10234	4.5
206.11743	2.7
213.03981	4.1
214.08659	14.9
221.12865	2.1
231.04797	9.9
231.06918	1.3
231.11581	2.3
232.09721	4.0
249.07700	5.7
249.12379	76.7
250.14391	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03954	8.2
55.01881	10.9
57.03448	11.9
59.04999	1.0
60.08167	1.3
61.02930	5.5
68.99792	4.6
69.03439	73.7
70.03592	2.3
71.01357	1.2
71.05003	8.7
73.02926	8.5
81.03429	44.2
83.01342	1.6
84.01434	0.7
84.09325	0.7
85.02914	100.0
87.00841	45.0
87.04480	2.4
91.03968	0.9
91.05499	1.1
95.04997	0.7
97.02905	41.2
98.21392	1.0
99.00799	1.4
99.04467	28.0
99.27804	0.6
101.02402	2.8
103.03938	1.4
105.01880	17.5
109.02896	32.1
109.78942	0.6
115.03928	1.5
115.05473	1.2
117.01919	1.0
117.07066	0.9
120.04490	1.6
127.03931	65.3
128.06267	1.7
129.01874	2.6
129.07004	3.5
131.08580	3.4
133.06425	1.0
141.07062	1.7
142.07799	1.0
144.05743	1.7
145.04961	9.8
145.06114	0.9
145.06572	1.2
147.02917	1.2
147.04430	1.1
148.07576	1.5
157.06535	1.9
159.02928	5.6
159.08066	4.3
161.05948	0.8
162.05521	0.9
162.09187	0.9
170.02046	0.7
170.07294	1.0
171.02954	1.3
171.04350	0.8
171.08153	1.1
172.05281	0.7
173.06042	1.1
174.06790	0.8
187.07591	3.3
189.03972	2.2
189.05573	0.8
189.09190	1.5
190.05005	5.1
190.08678	2.0
203.07124	1.7
204.07944	2.1
213.04039	2.8
221.06108	0.8
231.04999	8.3
231.10258	1.8
249.05562	0.8
249.11125	19.4
249.15518	1.3
249.16042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	11.7
55.01864	7.8
55.05511	5.1
56.96585	3.3
57.03445	10.2
57.07070	4.9
59.04991	4.2
60.08162	4.9
61.01155	4.3
61.02925	5.3
67.05506	6.3
68.99789	5.5
69.03439	84.7
69.03820	4.5
69.07089	2.8
69.24069	3.8
69.24478	18.5
70.06596	2.9
71.04980	9.7
73.02912	5.9
77.94748	2.1
79.05479	5.7
81.03426	48.4
81.07053	7.4
82.52807	2.2
83.04960	2.5
83.08621	9.2
85.02913	79.3
86.06068	6.2
87.00841	38.4
87.04455	3.1
91.05498	10.7
93.07056	6.3
95.04980	7.8
95.08615	6.3
97.02296	3.1
97.02905	43.8
98.97600	6.0
99.04483	24.2
101.02408	3.5
103.05457	3.2
105.01865	9.6
105.07047	10.6
107.04967	6.3
107.08578	8.3
109.02899	36.1
109.10172	3.1
115.03865	2.5
115.05448	3.3
115.08704	4.0
117.07030	5.2
119.08588	6.4
120.04488	4.7
120.08095	6.2
121.06516	3.2
121.08455	8.8
121.10149	2.4
127.03927	74.1
128.06242	3.1
129.01877	4.2
129.07013	8.4
131.04929	2.9
131.08568	7.7
133.06519	4.6
133.10150	5.3
135.04436	10.9
137.06010	3.2
141.07118	3.8
142.07805	3.6
143.08562	6.1
144.05688	2.7
145.04962	8.4
145.06511	3.6
145.10075	3.0
147.02945	3.1
147.08086	5.5
147.11716	3.6
149.09724	2.9
151.07564	3.3
153.05511	2.4
156.05774	2.7
157.06552	7.3
158.99741	2.4
159.02919	3.3
159.04526	2.0
159.08072	7.3
161.06020	5.7
161.09814	9.2
170.07259	3.2
171.04483	4.5
171.08031	2.5
173.06059	3.9
174.06795	6.4
177.14719	7.0
178.08690	3.8
179.08998	3.5
187.07568	6.7
189.05513	7.5
189.07425	3.4
189.09111	27.9
190.04953	15.7
191.08975	6.0
191.10707	2.8
193.08606	7.4
201.05608	3.2
201.09131	10.3
203.07042	3.6
203.10637	5.3
203.14410	2.6
203.16309	2.8
204.07881	5.2
205.10474	4.2
213.09030	2.8
219.12086	3.9
231.05054	8.0
231.10187	7.5
231.13942	4.0
231.17438	3.9
249.09007	3.3
249.11565	20.8
249.16808	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.01873	5.7
55.05509	0.6
57.03440	9.7
57.03708	0.9
58.06629	0.9
59.05007	3.2
60.08170	5.4
61.02931	6.7
67.05521	0.7
68.99803	3.8
69.03432	95.4
71.01363	2.3
71.05002	8.6
71.52277	0.6
73.02929	5.6
74.15645	0.6
78.03450	0.6
79.05497	0.7
80.05013	0.7
80.55333	0.6
81.03419	31.2
81.07048	0.6
83.01339	3.7
85.01167	2.4
85.02908	100.0
87.00834	31.7
87.04468	3.7
91.05491	1.4
93.07042	1.4
95.04989	1.2
97.02896	61.6
98.97567	0.5
99.00726	0.5
99.04462	27.1
101.02374	2.4
103.03954	1.2
105.01870	14.2
105.03395	1.1
105.07046	0.9
106.02937	3.3
106.88144	0.6
107.08601	0.5
109.02129	0.9
109.02885	18.0
109.10170	0.7
111.00809	1.4
113.00588	6.2
115.03921	2.9
115.05458	1.4
119.04942	1.1
120.04459	5.1
124.03961	32.0
125.04359	0.6
127.03924	94.5
128.06200	0.7
129.01804	1.3
129.07011	0.9
131.08624	1.5
133.06615	0.6
139.03909	1.0
141.00055	42.1
142.00374	1.2
143.04910	1.6
145.04967	22.3
147.03003	0.7
147.04416	4.5
147.06776	0.6
148.07579	5.6
159.02901	1.1
159.07988	1.2
160.05275	0.6
160.07587	1.4
161.06003	2.1
161.08411	1.0
161.09660	0.7
162.05490	2.5
162.09187	1.0
171.02921	1.7
171.04425	1.6
171.08044	0.9
172.04071	0.7
174.06683	0.6
175.07570	2.0
187.07591	0.9
189.03995	0.8
189.05460	0.7
189.09122	1.4
190.04990	14.4
190.08627	5.1
196.40800	0.6
202.08615	1.0
203.07048	4.9
207.06445	0.7
213.02145	1.4
213.04002	1.5
214.08580	1.1
231.02800	1.0
231.04987	11.0
231.10115	0.7
231.13930	0.8
249.07596	3.6
249.12576	15.8
249.16341	3.0
250.07159	0.9
260.55750	0.6
262.89035	0.6
268.08157	20.5
269.08362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.0
55.05502	4.6
57.07086	28.3
60.04527	1.4
65.03935	2.5
67.05514	16.8
69.03440	12.0
69.07063	2.9
72.04525	1.3
72.08157	3.2
74.09728	12.4
79.05504	100.0
81.03410	5.5
81.07067	19.4
83.04987	1.4
84.04489	3.6
85.05299	2.0
86.06060	4.0
91.05495	33.8
91.81322	1.0
93.07055	35.7
95.04959	3.4
95.08620	7.6
98.06075	12.7
100.07620	1.1
105.04507	1.2
105.07043	30.2
107.04987	2.2
107.08613	89.5
109.06506	2.8
109.10143	1.5
116.10757	1.5
117.55515	1.1
119.06059	2.7
119.08593	7.6
121.10149	5.9
121.55699	1.0
124.87838	1.3
126.09165	11.0
128.10745	3.2
131.08557	9.6
133.06509	7.8
133.10155	36.9
140.10678	1.5
141.11534	6.0
142.12299	2.5
147.08112	1.4
147.11714	27.2
149.13286	34.9
154.12277	17.9
157.10199	2.5
168.13864	1.7
175.11218	15.2
192.13887	1.8
248.20134	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.2009
Annotation	beta-sanshool
Peak:m/z	Relative Intensity
53.03938	1.7
55.01864	0.8
55.05503	1.1
57.07080	17.7
59.00786	0.7
60.04509	2.7
61.61999	0.8
65.03908	1.0
67.05185	0.8
67.05511	11.1
69.07053	1.6
69.34995	4.5
69.35402	1.3
72.08155	2.3
74.09722	13.2
74.78276	0.7
79.05495	20.3
81.03416	2.7
81.07066	15.5
83.04963	1.6
84.04490	1.0
91.05491	15.9
93.06482	1.4
93.07048	23.5
95.04976	2.5
95.08609	5.1
96.99284	0.7
98.06055	6.3
103.66463	0.6
105.07037	23.1
107.04948	3.4
107.08602	32.2
109.06507	1.0
109.10162	1.9
110.06035	1.7
116.10747	4.2
119.04935	0.9
119.06008	0.9
119.08566	6.5
121.06501	0.9
121.10131	3.0
128.10713	3.3
129.06979	1.5
131.08598	8.3
133.06516	8.8
133.10143	43.8
140.10722	0.9
142.07712	0.9
142.12257	2.9
147.08057	1.3
147.11694	20.9
149.13261	21.4
152.10680	0.9
154.12279	13.5
157.10144	2.3
166.12282	2.2
168.13872	1.3
175.11194	19.9
248.20108	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.201
Annotation	beta-sanshool
Peak:m/z	Relative Intensity
51.02381	1.0
53.03951	4.5
55.05500	3.8
55.87436	0.8
57.07082	32.5
60.04513	2.1
60.73097	0.8
65.03933	3.3
67.05511	21.1
69.03433	9.5
69.07058	2.6
70.63852	2.0
70.64201	1.5
72.04478	1.1
72.08160	2.2
72.17138	0.9
74.09721	15.6
77.03912	1.3
79.05502	100.0
81.03420	5.6
81.07069	24.8
83.04986	1.1
83.08615	1.8
84.04495	2.5
85.05283	2.5
86.06054	3.3
91.05489	40.6
93.07057	27.6
94.76234	0.9
95.04958	4.9
95.08614	8.8
98.06071	13.1
100.07613	1.4
101.07210	0.9
105.04506	1.0
105.07047	35.5
107.04921	1.8
107.08607	89.3
107.39133	0.8
109.06522	4.5
116.10716	2.0
119.06054	2.7
119.08598	7.8
121.06526	1.1
121.10146	5.7
126.09161	11.3
128.10757	2.9
129.07019	2.6
131.08589	12.7
133.06506	5.7
133.10146	44.7
140.10678	1.4
141.11526	5.5
142.12271	3.0
147.08075	1.5
147.10527	1.3
147.11703	29.3
149.13278	34.7
154.12288	25.3
157.10139	3.0
166.88449	0.9
168.13873	2.0
174.01306	0.8
175.11211	13.2
193.14767	1.0
243.33070	1.1
248.20116	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.05507	2.0
57.07082	18.4
63.63812	0.9
65.03944	2.6
67.05507	10.9
67.79669	0.7
69.03431	6.2
69.03786	1.1
69.07061	1.8
70.83129	2.2
72.08161	0.8
74.09731	8.7
77.03918	1.1
77.36703	0.7
79.05500	100.0
81.03430	1.5
81.07063	11.7
83.04990	1.7
85.05290	2.2
86.06093	2.5
91.05492	28.9
92.06276	1.3
93.07055	22.6
94.28986	0.8
95.04987	2.2
95.08618	4.8
98.06078	8.7
100.07623	0.9
105.07038	27.2
107.04953	1.4
107.08604	79.2
109.06528	4.2
109.07190	0.8
109.10151	1.1
116.10747	0.9
119.06062	3.0
119.08594	4.3
121.10151	4.3
126.09158	7.8
128.10756	1.7
131.08566	7.4
133.06500	4.8
133.08612	1.0
133.10146	24.7
141.11494	3.2
142.12241	1.2
147.08089	1.3
147.11696	13.7
149.13263	21.1
154.12280	13.0
157.10139	1.8
166.12369	0.8
168.97073	1.0
172.57846	0.7
175.11212	11.3
207.49026	1.1
248.20126	24.6
266.41458	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1648
Annotation	EC 40
Peak:m/z	Relative Intensity
51.07257	0.3
52.99422	0.3
53.27075	0.3
55.01867	0.4
55.05499	1.0
57.07095	0.4
57.84158	0.3
58.07420	0.3
67.05495	1.3
68.05026	1.6
69.03420	0.6
69.07075	2.3
70.06252	0.5
70.06603	5.0
71.04995	0.4
72.63119	0.3
73.02923	0.7
73.06599	0.4
79.05504	2.7
80.05003	0.4
81.07040	0.9
82.06575	0.6
84.08155	0.4
85.02920	0.7
91.05494	5.0
93.06490	0.7
93.07053	11.8
94.06585	0.7
95.08596	1.9
96.08127	1.4
98.21483	0.6
100.07613	2.2
105.07040	9.5
106.06575	0.6
107.07358	1.0
107.08607	9.8
108.08135	0.6
109.06507	0.6
113.04549	0.3
114.05587	2.8
116.07092	1.0
117.07021	0.5
118.06518	0.8
119.07311	0.6
119.08600	3.2
120.08096	2.4
121.10165	3.6
122.09679	0.8
128.07083	2.3
131.08571	0.9
132.08086	1.2
133.08972	1.0
133.10138	9.7
134.09669	6.8
134.10732	0.6
135.11703	2.0
142.08658	1.2
146.09656	1.3
148.11299	1.2
151.06302	10.9
154.08720	0.6
160.11244	2.3
160.37738	0.4
161.09633	0.8
164.07048	2.0
166.08702	0.5
168.10178	1.8
174.12775	1.0
175.13582	0.5
177.07889	0.5
178.08656	30.5
179.09383	1.1
179.10829	0.4
180.10229	1.5
188.14388	2.9
192.10222	1.4
193.11008	0.5
202.15970	2.0
206.11903	0.5
232.13414	0.6
233.14122	0.6
248.16489	100.0
249.16757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80663	0.4
56.96569	25.2
57.03428	0.4
61.02929	0.9
65.49091	0.4
65.60626	0.5
68.25153	0.4
69.03422	1.1
70.06596	1.2
70.55036	0.6
70.55392	0.9
71.95252	2.1
72.96057	1.4
83.97646	1.0
84.08148	3.8
84.96049	1.3
85.02895	1.5
86.09728	3.3
97.02919	0.8
98.20857	0.5
98.97591	100.0
99.97930	0.6
110.97561	1.1
116.00225	2.1
116.07090	0.7
116.98628	30.4
117.56580	0.4
119.01890	0.6
124.00724	0.5
126.02289	0.8
127.00700	0.6
127.03900	1.1
128.98573	0.7
130.08646	2.0
131.60190	0.5
134.01248	1.0
134.99689	5.3
140.00189	1.0
140.03828	2.0
142.01749	0.6
142.05417	2.5
143.00145	0.7
145.01709	0.6
146.99689	1.0
152.98392	0.4
153.02309	0.8
154.03900	0.9
158.04936	1.5
158.99698	0.7
160.06468	2.6
161.01233	0.5
167.54393	0.7
170.04913	2.7
171.03343	4.1
176.05975	0.6
185.03015	0.6
188.05969	3.1
189.00713	1.6
189.04364	8.1
202.07501	0.5
203.05743	0.5
206.01620	0.9
206.07034	8.1
206.69556	0.5
207.01773	1.9
207.05458	2.6
212.05945	1.2
212.07780	0.6
224.02484	0.8
224.08064	6.3
230.07021	37.0
231.05405	1.0
245.04915	0.6
248.08076	47.7
266.09137	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	247.1332
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03961	4.4
55.01874	1.3
55.05500	3.1
57.07056	1.4
59.05006	1.1
65.03925	3.5
67.05496	3.5
69.03436	16.7
69.07052	1.3
70.78005	2.0
73.89661	0.7
79.05499	6.6
81.07067	8.8
83.04987	14.1
85.02924	0.9
87.04472	1.0
87.39124	0.9
91.05487	13.6
93.03389	3.2
93.07049	12.6
95.04976	4.4
95.08586	1.3
96.61510	0.8
97.02905	5.5
97.06543	1.7
105.07035	14.5
107.04959	1.6
107.08602	11.5
109.02888	19.1
109.06529	13.9
109.10149	2.5
111.04459	5.5
115.05451	3.9
117.07022	8.4
119.07801	1.5
119.08588	18.4
121.02866	3.6
121.06518	14.9
121.10136	6.5
123.08043	2.9
128.06218	3.0
129.06976	4.7
130.07794	1.8
131.08578	18.1
132.05679	1.9
133.06514	1.5
133.10144	11.5
135.07118	1.6
135.08067	23.3
137.06007	8.0
137.09612	2.7
139.03934	1.1
141.06973	2.0
142.07751	3.1
142.57599	0.9
143.08566	8.4
144.05640	0.9
144.09344	10.9
145.06505	9.6
145.10139	11.8
147.04385	1.7
147.08051	3.0
149.09628	21.5
150.10408	3.0
151.07605	1.5
151.11179	3.6
153.07011	1.5
153.09088	1.5
155.08549	4.1
157.06490	1.2
157.10115	2.3
158.07286	3.5
158.10941	12.3
159.08080	11.2
159.11708	26.7
160.08856	2.8
161.05966	2.8
161.09630	3.7
163.07550	20.2
163.11172	2.5
165.09117	3.1
167.08528	1.5
168.09323	3.1
169.10161	1.6
170.10916	4.3
171.08054	7.5
171.11687	1.1
172.08824	13.8
173.09645	26.6
173.13269	44.2
175.07555	1.0
179.62772	1.0
181.06497	2.5
183.11684	7.2
185.09590	1.4
185.13278	2.4
186.10429	22.1
187.07582	2.8
187.11200	100.0
189.09122	2.5
189.12984	1.1
191.07042	25.3
193.10170	1.5
196.08861	5.5
201.12762	67.4
203.14270	1.0
205.12282	9.2
211.11179	9.4
214.09926	3.4
219.13725	5.8
229.12251	67.4
247.13326	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41203	0.2
58.99627	0.2
65.03951	0.5
67.05527	0.4
68.05849	0.2
69.07077	8.7
69.81547	0.6
70.02469	0.2
72.08159	0.5
73.08488	0.3
79.05502	2.0
80.05847	0.9
81.07079	0.5
82.07406	0.2
89.63858	0.2
91.05489	7.3
92.05831	0.5
93.07044	0.4
94.07403	0.3
95.04990	0.2
102.18459	0.2
105.07038	0.6
106.07401	0.4
107.05005	0.2
107.08610	0.8
108.08953	0.8
119.04958	23.6
132.58691	0.2
133.10088	0.2
137.05981	0.6
147.04425	100.0
148.04720	0.3
148.12045	0.6
179.07053	13.0
247.07654	0.2
247.13251	0.3
247.18941	1.4
247.22537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1332
Annotation	[3aR-(3aalpha,4aalpha,6beta,8abeta,9aalpha)]-3a,4,4a,5,6,8a,9,9a-Octahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03930	2.4
55.01862	2.4
55.05508	8.0
56.96555	1.6
57.07082	22.1
64.95545	1.4
65.03935	4.7
67.05505	18.7
69.03087	1.6
69.03437	23.8
69.07066	3.5
69.76080	7.1
70.06594	2.5
71.04996	2.2
72.08144	4.9
77.03915	1.5
79.05497	14.1
81.03418	3.1
81.07072	10.2
83.04993	22.3
84.08154	3.8
85.02898	5.5
85.06547	7.4
86.09718	2.6
87.27216	1.2
91.05489	20.9
93.07044	16.1
95.04379	1.8
95.04978	30.4
95.08618	8.4
97.02912	9.0
97.06520	8.0
98.20834	1.5
99.04450	1.5
103.05447	2.5
105.07037	47.9
107.04954	2.5
107.08607	16.6
108.05805	1.4
109.02900	5.0
109.06533	17.1
109.10141	5.9
111.04459	6.8
113.05994	3.2
115.05444	3.4
116.06231	2.7
117.07027	7.6
119.04942	1.6
119.07816	2.0
119.08604	31.9
120.08115	6.4
121.02868	16.9
121.06522	17.2
121.10139	7.7
123.04464	3.1
123.08078	25.9
125.06007	2.3
125.09625	1.4
127.03925	3.2
128.06232	5.1
129.07016	8.8
130.07762	2.4
131.08578	21.0
133.06494	5.0
133.10182	12.5
135.04401	1.3
135.08066	12.8
137.05986	1.8
137.09622	4.5
141.06978	5.0
142.07788	9.8
143.08574	12.2
144.09338	4.9
145.06467	8.0
145.10141	20.3
146.06097	1.8
146.07265	3.6
147.08070	13.3
147.11720	6.3
148.08847	3.2
149.06023	3.1
149.09631	8.3
150.70567	1.2
151.07547	3.5
153.01842	22.8
153.06998	3.9
155.08543	6.4
156.08125	2.6
156.09351	10.3
157.06482	2.3
157.10138	15.4
158.07352	6.0
158.10878	3.6
159.08061	19.7
159.11705	16.7
160.08836	3.4
161.06003	1.8
161.09633	17.2
163.03943	1.5
163.07567	4.0
165.06996	1.5
165.09138	14.1
166.07823	2.3
168.09332	4.9
169.10092	2.6
170.04158	1.4
171.08061	5.8
171.11687	9.7
172.08865	8.9
173.06027	1.7
173.09650	11.3
173.13277	15.0
175.07545	5.4
175.11182	11.8
175.14868	1.9
177.09061	2.2
177.12677	1.8
178.07726	1.4
181.06573	2.2
181.10088	1.8
183.11719	13.1
184.08823	2.1
185.09616	5.9
185.13214	2.2
186.10425	2.8
187.07500	2.5
187.11176	17.7
188.06989	1.8
189.09137	19.3
189.12726	2.7
193.10124	4.3
196.08885	5.4
199.11206	30.8
201.12782	21.5
203.10687	13.5
205.12251	3.2
211.11176	14.4
214.09857	1.9
217.12250	20.9
219.13844	5.9
229.12265	26.5
229.14330	2.5
247.06003	16.1
247.13313	100.0
248.15154	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1332
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03938	4.4
54.32751	0.9
55.05508	3.9
57.07071	3.9
65.03935	3.2
67.05496	3.4
69.03098	1.1
69.03439	16.9
69.45696	7.3
79.05505	6.9
80.77438	1.0
81.03421	1.4
81.06634	1.4
81.07065	8.7
83.04984	13.8
85.48392	1.0
91.05473	12.8
93.03400	4.0
93.07058	11.3
95.04955	4.6
95.08613	2.1
97.02914	6.1
100.34186	1.0
102.05550	1.2
105.07045	12.7
107.04918	1.4
107.08590	11.7
109.02891	18.8
109.06532	11.4
109.10168	2.2
111.04441	3.9
111.08103	1.7
115.05473	2.3
116.06280	1.4
117.07041	6.4
119.08597	14.7
121.02861	4.7
121.06528	18.0
121.10171	5.7
123.08065	1.1
128.06219	1.9
129.07024	5.5
130.07753	1.7
131.08588	15.3
132.05742	1.2
133.06490	1.5
133.10147	8.7
135.08070	24.7
136.08768	1.1
137.05994	6.9
137.09641	3.7
139.03900	1.6
141.06996	2.3
142.07771	1.3
143.08606	10.1
144.09373	10.0
145.06476	8.2
145.10147	10.5
147.08047	3.4
149.05978	1.0
149.09637	19.9
150.10411	4.5
151.11186	3.9
153.07060	1.4
155.08539	3.5
156.09323	1.2
157.10133	3.0
158.07286	1.9
158.10927	10.7
159.08078	10.7
159.11703	24.9
160.08871	2.4
161.09679	2.8
163.07574	19.3
163.11224	3.6
165.09135	2.1
168.09357	3.5
169.10199	1.4
170.10916	4.8
171.08041	4.6
172.08852	12.0
173.06032	1.5
173.09656	27.2
173.13284	43.5
181.06483	1.4
183.11685	8.4
185.09618	1.9
185.13266	2.6
186.08786	1.2
186.10428	21.8
187.11205	100.0
189.09082	2.3
191.07045	25.9
193.10100	1.6
196.08932	5.0
196.10461	1.1
199.07526	1.4
201.12764	66.9
202.13104	1.0
203.14351	1.4
205.08762	1.1
205.12268	9.5
211.11209	11.6
214.09894	2.5
218.28967	1.2
219.13889	5.1
229.12265	65.1
247.09390	2.0
247.13312	69.5
258.90179	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15989	0.5
53.03963	1.4
53.75590	0.5
55.01869	1.0
56.05034	0.6
57.03446	3.1
57.07079	100.0
58.06602	1.2
61.02935	0.9
67.05495	0.6
67.74155	0.5
69.03435	15.9
69.07073	0.6
70.06602	1.2
71.05001	3.3
71.10320	0.9
71.10634	0.6
72.08166	2.2
73.02898	0.6
79.05505	1.2
81.03423	15.3
81.07067	1.2
83.05009	0.7
85.02913	17.6
85.06549	16.6
86.09734	2.4
87.10025	0.6
91.05521	1.2
93.07041	1.0
95.05013	0.8
97.02901	14.6
99.04468	4.2
103.07590	8.5
105.07055	1.3
107.04982	0.9
107.08603	0.7
109.02892	11.8
111.04446	0.7
115.05512	0.6
117.07066	0.8
120.08121	1.3
127.03934	13.0
129.07043	0.7
131.08617	1.0
135.04460	1.1
145.05016	2.7
145.06598	0.6
145.10258	0.7
159.08104	1.8
176.14468	0.8
178.05070	2.0
185.06050	0.6
186.11534	0.6
187.07574	0.9
190.07796	0.9
201.09175	0.9
219.08215	1.7
229.05542	0.6
229.08656	1.4
229.10820	5.8
229.13852	0.8
247.05716	1.1
247.07587	2.2
247.09779	1.5
247.11931	3.0
247.14273	3.2
247.16911	0.6
248.09341	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.129
Annotation	alpha-Asp-Ile
Peak:m/z	Relative Intensity
55.05512	1.8
56.05043	13.7
56.96574	6.3
57.03435	1.5
58.06582	1.8
61.01151	8.6
64.79370	1.4
65.50450	1.2
67.05521	3.3
69.03436	5.4
69.07074	15.0
70.02950	9.2
70.06607	16.7
70.98138	1.6
71.05005	1.9
71.06932	1.4
71.32784	1.3
71.51774	2.3
72.08164	15.7
72.93816	1.6
73.02934	2.6
74.02457	4.0
74.06075	1.6
79.05501	3.7
80.00150	1.2
80.05795	1.3
81.03446	2.5
81.07052	3.7
83.04999	1.5
84.04498	2.5
84.08170	7.6
84.96053	1.6
85.02921	3.6
85.04041	4.1
86.09718	100.0
87.10045	1.8
88.04004	48.8
88.07645	1.6
91.05504	3.3
93.07067	2.3
95.04986	3.3
95.08607	2.1
97.02889	3.0
97.06523	2.3
98.02422	4.4
98.97589	11.2
99.00838	1.5
104.05345	17.0
105.03428	1.4
105.07034	4.7
106.05046	1.8
107.04979	2.2
107.08604	1.8
109.02935	1.7
109.06557	1.9
110.02415	14.5
110.97606	1.3
113.10802	9.0
114.09196	5.9
116.07105	29.0
116.98650	4.1
117.07004	1.8
118.08676	2.4
119.08540	2.0
120.08105	2.7
121.02892	1.9
121.06489	3.2
123.04494	1.3
124.03973	3.8
127.03935	2.4
128.98602	2.0
129.07048	1.9
129.10258	2.4
131.08592	2.9
132.10223	49.2
132.95888	2.9
134.99681	2.1
135.08052	1.5
137.06020	2.0
138.09151	2.0
141.10255	16.8
142.08720	2.8
143.00183	1.5
146.99637	2.7
147.04414	3.9
150.96927	3.7
151.03905	1.8
153.01810	2.2
155.11803	2.7
156.10252	5.4
158.61653	1.4
159.08037	2.8
159.11745	1.3
161.01163	1.7
163.03957	2.4
166.08641	14.0
169.09741	1.5
170.11806	5.1
171.08028	2.4
171.12152	13.1
173.09769	1.5
174.09161	1.8
175.04407	2.4
177.00754	3.6
183.11340	6.6
187.07547	1.9
187.10825	14.5
189.00891	1.5
189.09027	2.0
191.11827	4.6
195.01656	1.5
199.11076	1.5
201.00722	2.6
201.12378	52.8
202.08658	9.7
212.09229	20.1
223.01183	1.8
229.08528	2.1
229.11949	10.7
247.06136	4.1
247.08598	1.8
247.10924	6.0
247.13057	21.1
247.18871	1.4
250.68590	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.05520	0.6
57.03449	2.7
57.07084	100.0
59.60680	0.6
61.02915	1.2
67.05507	0.8
69.03094	0.9
69.03439	16.0
70.57082	1.2
71.04985	1.5
79.05483	0.8
80.80750	0.5
81.03426	14.8
81.07047	1.1
85.02912	20.6
85.06557	15.9
93.07042	0.9
97.02902	5.3
98.20809	0.7
99.04443	2.5
103.07597	9.2
105.07009	0.9
107.08596	0.6
109.02895	8.4
127.03932	13.5
131.08667	0.9
145.04951	1.7
145.10146	1.0
159.08037	0.8
159.11705	0.7
173.09625	1.1
187.07526	0.9
187.11241	0.7
229.10646	7.4
247.07619	0.9
247.09610	0.8
247.11777	3.1
247.16888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01873	0.7
55.05510	0.7
57.03450	2.9
57.07081	100.0
61.02916	1.2
67.05502	0.9
69.03436	15.6
69.07056	0.8
70.61104	0.4
71.01343	0.5
71.04972	0.7
71.52850	0.8
73.02902	0.4
74.34225	0.4
74.56083	0.3
79.05476	0.9
81.03428	13.9
81.07056	0.7
83.04965	0.7
85.02916	17.8
85.06550	14.8
91.05471	1.3
93.07034	1.3
95.04954	0.4
95.08591	0.9
95.82547	0.4
96.75896	0.4
97.02910	5.4
99.04445	1.7
103.07596	9.2
105.07034	1.5
107.08598	1.0
109.02896	8.9
109.10162	0.6
115.07734	0.4
117.06999	0.7
119.08563	1.5
120.08146	0.5
121.02881	0.5
121.06514	0.8
121.10147	1.1
127.03938	11.3
128.06247	0.6
129.07045	1.0
131.04953	0.5
131.08548	1.6
133.10080	0.6
135.08093	0.6
135.11652	0.5
143.08574	0.7
144.05635	0.8
145.04993	1.2
145.06505	0.8
145.10121	1.1
147.11665	0.7
157.06509	1.1
158.07285	1.2
159.08018	1.3
159.11652	0.6
161.09578	0.5
163.07552	0.7
165.07016	0.5
169.06404	0.5
173.09659	0.7
173.13261	0.6
175.03906	1.1
175.07475	2.1
183.08043	0.8
183.11658	0.5
185.06049	0.4
187.07506	1.2
187.11235	0.8
191.03429	0.8
201.09172	0.5
201.12685	0.8
203.07080	0.5
211.07570	0.9
217.08495	0.6
219.08107	0.8
229.08577	3.5
229.10715	5.7
247.07460	1.9
247.09683	6.1
247.11801	2.4
247.16827	2.7
247.24167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01860	0.8
55.05514	6.1
56.05043	1.1
58.06582	1.1
58.68982	0.6
60.74382	0.6
65.03952	2.6
67.05508	18.0
68.02661	0.9
69.03433	3.0
69.07069	5.1
69.17181	6.8
70.06601	5.1
70.72480	0.6
71.07382	7.8
71.08616	0.6
72.08160	34.0
77.03897	0.7
79.05499	100.0
81.03421	3.6
81.07061	20.9
83.05025	0.9
83.08623	1.7
84.08155	0.8
84.54888	0.6
91.05487	41.9
93.07053	16.4
95.04989	7.3
95.08617	5.5
96.04510	2.4
96.08151	1.4
97.06503	1.3
98.06071	3.6
98.09713	1.1
100.47530	0.6
105.04568	1.0
105.06310	1.1
105.06518	0.7
105.07039	40.0
107.04981	4.5
107.08604	64.5
108.08150	1.5
109.06528	3.7
109.10184	2.8
110.06011	0.9
111.06852	0.8
117.07042	1.8
119.06092	2.4
119.08584	14.2
119.09357	1.0
120.05722	0.7
121.10181	3.3
122.09716	0.9
123.11774	1.5
124.07623	2.5
125.87939	0.7
126.09131	1.4
129.07031	2.8
131.08575	8.0
133.06516	5.2
133.10135	14.2
135.11688	1.5
139.09930	18.4
139.10979	1.2
140.10696	1.3
142.07843	1.4
145.10153	2.5
147.08078	2.1
147.11699	49.5
149.13278	9.5
152.10721	2.7
157.10173	3.0
162.12814	0.7
175.11221	6.8
183.17059	0.8
189.16422	1.2
205.19495	2.1
228.12366	1.0
231.10211	2.0
246.12640	3.4
246.18634	64.1
246.22278	34.0
247.13388	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.01873	1.0
55.05512	6.7
65.03935	2.2
67.05177	1.3
67.05506	15.6
68.02637	1.0
69.03433	1.6
69.07058	2.4
70.06583	2.9
70.76824	1.0
70.77177	1.7
71.07385	8.1
72.08159	22.8
77.03918	1.1
77.30384	0.8
79.05498	100.0
81.03429	4.3
81.06593	1.2
81.07063	18.1
82.84422	0.8
83.04992	1.2
91.05484	46.3
93.07042	13.4
95.04972	8.8
95.08606	1.9
96.04528	1.6
97.06508	1.7
98.06041	3.5
98.20806	0.9
103.05494	1.0
105.04503	1.2
105.07035	40.5
107.04967	5.5
107.08599	56.7
109.06526	3.2
110.06026	0.8
117.07018	2.4
119.06073	2.6
119.08583	13.7
120.05724	0.7
121.10108	0.9
124.07613	2.6
129.07010	3.2
131.08559	6.0
133.06479	4.4
133.10126	11.4
139.09947	9.7
142.07780	1.5
145.10202	1.6
147.08069	2.9
147.10509	1.5
147.11696	30.7
149.13269	4.0
152.10716	3.2
157.10114	2.3
165.82198	1.0
171.38304	0.8
175.11179	6.2
207.28592	0.8
246.18555	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	246.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.01881	0.9
55.05514	7.1
56.05035	1.8
58.06589	0.8
62.79671	0.7
65.03948	2.1
67.05511	14.3
67.95164	0.7
68.02628	1.3
69.03443	2.0
69.07077	1.7
69.99256	2.9
70.06609	2.4
71.07390	9.0
72.08166	24.4
77.03951	1.1
79.05503	100.0
81.03428	4.5
81.07069	18.1
82.04141	0.7
83.04986	0.7
85.23919	0.8
89.15197	0.7
91.05494	44.0
93.07066	13.7
93.96317	0.7
95.04997	7.2
95.08602	2.3
96.04504	3.5
97.06513	0.9
98.06076	2.3
105.04514	0.9
105.07046	37.8
107.04972	3.9
107.08608	52.7
109.06536	2.8
110.06090	1.1
111.06860	1.5
115.05471	0.7
117.07080	1.0
118.58377	0.8
119.06103	2.3
119.08598	10.5
120.05684	0.8
121.06525	1.2
121.10181	1.4
124.07639	1.4
126.09188	1.1
129.07016	2.4
131.08568	7.4
133.06505	4.9
133.10150	12.7
138.84282	0.6
139.09940	14.3
142.07832	1.7
147.08075	2.9
147.11708	28.5
149.13278	6.1
152.10730	2.5
157.10149	1.4
158.07248	0.7
175.11208	4.1
191.13054	0.8
197.90790	0.8
244.69006	0.7
246.18575	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1855
Annotation	Dehydrolycopecurine
Peak:m/z	Relative Intensity
52.59223	0.6
53.03954	3.7
55.01871	1.2
55.05512	6.3
56.05046	2.1
58.06593	0.8
65.03943	1.8
66.63293	0.5
67.05511	16.4
68.02665	1.1
69.03431	2.9
69.07078	2.1
70.06595	2.3
71.07378	8.2
72.08163	31.3
76.69530	0.6
77.03940	0.9
79.05500	100.0
79.15482	0.6
81.03420	3.9
81.07065	16.9
83.05001	1.1
91.05489	39.9
92.06279	0.9
93.07051	15.0
95.04979	8.7
95.08610	2.6
96.04514	1.8
97.06526	1.1
98.06044	2.8
105.04504	0.8
105.07039	39.0
106.04167	0.8
107.04983	4.7
107.08604	60.0
109.06511	3.7
110.06024	1.0
117.07054	1.8
119.04993	1.0
119.06074	2.5
119.08600	11.0
121.10152	1.6
124.07602	1.6
126.09173	0.9
129.07043	3.1
131.08589	6.3
133.06505	4.3
133.10153	14.4
133.11110	1.2
139.09941	15.7
140.10707	0.8
142.07785	1.8
145.10124	1.5
147.08061	2.9
147.11700	49.9
149.13287	8.5
152.10739	2.5
157.10138	2.4
175.11214	7.6
191.13007	0.8
204.13997	0.7
228.93439	0.6
246.18568	63.7
251.63422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93695	0.2
53.03963	0.2
55.05512	0.7
56.05034	0.2
56.96564	0.4
57.07071	0.9
67.05474	0.4
68.05029	0.3
69.03423	0.7
69.07057	0.6
70.06597	16.6
70.95866	0.3
71.04986	0.3
71.51939	0.3
72.08140	0.8
72.93786	0.9
74.06090	0.4
79.05487	1.3
81.03445	0.3
81.07065	0.8
83.04957	0.2
84.04503	0.6
84.08144	1.8
85.02914	0.6
86.09711	3.5
87.10062	1.3
89.03931	2.0
90.94825	0.4
91.05486	0.6
93.07059	0.4
95.04953	0.3
95.06078	1.0
95.08566	0.3
95.56246	0.2
96.08147	1.0
97.02892	0.5
97.06527	0.2
98.97577	0.5
100.07613	1.1
102.05598	0.2
103.05463	0.2
105.06996	0.5
105.52997	0.2
107.04971	0.5
107.08601	0.7
113.96395	0.6
114.05489	0.3
116.07095	0.4
117.03390	1.4
120.08083	0.3
121.02900	0.5
124.07632	1.8
124.11243	10.3
128.07108	0.7
128.96336	0.3
135.04440	3.2
139.76886	0.2
142.12273	0.7
144.95807	0.4
145.02827	2.1
147.11641	0.3
148.99081	0.2
156.95886	0.3
158.97414	0.9
163.03922	15.5
164.04250	0.9
164.06154	0.2
170.11774	100.0
171.12025	0.4
176.98477	0.4
181.04948	0.8
182.97433	0.3
200.98480	1.7
201.00140	0.3
210.96848	0.4
214.14421	1.2
218.99533	0.6
225.97964	0.3
228.12201	0.4
228.16029	0.3
228.98015	0.9
245.99298	0.5
246.04778	1.0
246.07388	0.5
246.11360	1.8
246.13422	0.4
246.16978	0.6
246.19687	1.8
246.24228	0.4
246.99048	5.4
247.99446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1451
Annotation	H-Ile-Asn-OH
Peak:m/z	Relative Intensity
51.36996	1.6
53.03947	2.4
55.05503	4.0
56.05039	4.6
56.96347	1.9
56.96576	26.3
58.06581	1.8
60.04518	3.3
67.05505	2.4
68.05020	4.1
69.03427	3.7
69.07079	47.3
70.02966	18.4
70.06599	24.0
71.05002	2.5
71.51232	2.1
71.51630	2.4
72.08163	23.8
72.93813	2.3
73.02905	5.7
73.06544	3.0
74.06072	1.8
75.05596	5.7
79.05506	8.0
81.07069	5.3
84.04517	23.2
84.08154	46.9
84.96043	4.9
85.02918	8.3
85.04037	15.4
85.08461	1.8
86.06036	2.9
86.09717	100.0
87.05605	68.6
88.04012	3.9
89.03896	1.8
91.05488	6.1
93.07027	2.8
95.08607	1.9
96.04497	3.9
96.08128	6.1
97.02896	3.9
97.06538	9.8
98.02439	19.1
98.06078	2.7
98.97602	18.9
99.08091	3.4
100.07627	8.1
102.05537	3.6
103.05459	2.0
105.07027	4.3
107.04965	2.5
107.08610	3.7
110.01679	3.5
110.02422	65.1
110.09673	5.4
110.35620	2.1
110.97567	5.7
112.07591	2.8
112.08755	2.0
113.10782	43.8
114.05537	8.2
116.07091	3.3
116.98604	8.1
117.03390	2.3
117.10271	3.5
120.08112	5.4
124.03971	10.0
124.07599	8.9
124.11242	2.7
124.99103	2.1
125.07933	11.0
127.03907	2.6
128.98640	2.7
129.10236	6.4
130.05029	12.6
130.08653	6.4
132.10216	19.9
132.95842	2.7
133.02887	7.1
134.99672	2.6
135.04407	5.7
137.06003	5.6
138.09138	9.5
141.05563	2.8
141.10240	87.4
142.04990	7.4
143.00168	3.9
143.11815	46.3
145.02791	3.0
146.99680	2.5
147.11612	2.7
154.12241	2.5
155.11804	10.4
156.10223	5.7
156.13826	2.9
158.99686	3.6
161.01222	3.4
163.02759	2.4
163.03954	19.6
164.04233	2.3
166.08665	76.7
168.06580	3.3
169.09778	5.9
170.11794	31.0
171.11301	12.7
179.00140	2.0
182.11768	5.7
183.11292	13.9
184.09743	5.0
187.10815	57.3
191.11928	1.8
193.04427	7.2
197.01170	4.4
200.09442	2.0
200.14111	26.6
201.12306	2.0
202.04907	9.4
202.10780	26.2
202.12521	3.8
202.55200	2.4
208.00656	2.2
211.10776	8.6
212.09204	85.4
222.04376	2.6
223.02744	2.5
223.04660	3.3
226.01508	5.7
228.03558	2.2
228.05344	9.0
228.13445	6.5
229.11855	55.2
241.03737	3.9
241.05849	2.3
246.06415	3.7
246.09727	2.1
246.14777	12.5
246.18045	11.8
246.24347	3.4
246.99002	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	246.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01865	1.6
55.05502	1.0
56.96569	21.4
57.03445	3.5
60.04528	1.0
61.02933	4.3
69.03443	8.3
69.76683	2.1
69.77096	1.1
70.06593	8.5
70.98116	1.5
71.04992	1.9
71.95276	1.4
72.08144	3.3
73.02930	7.5
81.03426	4.4
82.06582	1.1
83.04974	0.8
84.04491	0.7
84.08151	100.0
84.96044	8.5
85.02914	14.5
85.08492	2.0
86.09715	4.1
87.04480	1.9
87.05559	0.7
89.00802	1.1
96.08186	0.9
97.02901	10.8
98.01275	0.6
98.97592	55.7
99.04473	2.3
99.97940	0.6
100.07635	1.9
100.99236	0.6
101.00881	2.2
102.00996	1.8
105.03466	0.8
107.04978	1.0
109.02918	2.7
110.01309	1.8
110.03667	1.2
110.97579	11.3
111.04468	0.9
112.07646	0.7
112.99178	1.2
115.02321	0.6
116.07134	0.9
116.98637	13.9
117.02072	1.0
117.10341	1.2
119.01839	4.4
119.16186	0.6
120.02061	2.2
122.01302	0.9
123.02117	0.9
123.04469	1.1
124.99165	2.0
125.98640	0.8
126.97007	0.9
126.99831	0.6
127.00726	1.9
127.03928	3.7
128.02359	1.7
128.07076	0.8
128.98613	6.3
129.10223	3.6
130.05067	0.7
130.08682	1.9
131.00204	1.4
131.01855	1.5
134.99646	3.0
135.04433	4.9
137.02936	1.3
140.00258	2.5
140.02377	1.9
140.98691	1.2
142.01888	1.1
142.08672	0.9
143.00150	3.4
144.02045	1.2
144.98117	1.1
145.01730	1.0
145.05013	2.2
146.02391	2.4
146.03548	0.8
146.99699	2.3
147.03186	1.0
147.04449	1.3
147.11330	1.9
148.04665	0.6
149.01260	0.6
151.07620	1.5
152.02368	2.3
155.00275	0.7
155.02913	1.8
156.02176	0.9
156.03429	1.8
156.06596	0.8
157.09799	0.8
158.01303	1.7
158.03651	1.2
158.09302	0.8
158.99683	11.7
159.00890	0.9
161.01430	1.2
161.02953	4.2
162.03238	2.5
162.99255	0.9
163.03926	0.8
165.03165	2.0
168.03462	1.0
170.03424	2.4
170.11850	0.9
170.99666	5.1
173.01414	1.0
173.02974	1.0
174.03603	1.1
174.99229	1.4
177.00729	4.2
182.03491	2.4
182.99738	1.8
186.00800	1.1
186.03145	1.8
186.04477	2.6
189.00821	2.7
191.03893	6.1
192.03722	1.0
193.00369	0.8
197.01318	0.9
200.04628	0.7
201.00769	4.1
201.04117	4.1
201.54451	0.8
204.01915	2.2
204.03917	1.0
204.05612	1.7
205.00320	1.6
205.02107	1.0
207.04324	0.8
210.04707	0.7
214.05757	0.9
214.67123	0.6
216.04744	1.8
219.01721	5.5
222.02940	1.8
223.01277	1.4
227.02509	0.9
228.05450	50.7
237.02980	7.2
237.05406	9.0
241.00369	1.4
246.06470	26.1
246.13507	2.4
246.15689	1.4
246.18372	2.8
246.55904	0.7
255.04030	2.9
269.08273	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16097	0.8
55.01870	2.7
56.96300	1.4
56.96570	22.9
57.03437	4.4
58.06603	1.0
58.44368	0.9
60.05634	0.9
60.76688	0.8
61.02944	5.4
69.03438	10.4
70.06586	5.9
70.15972	3.6
70.98127	1.9
71.95250	1.5
72.08167	4.6
73.02918	9.5
74.06093	1.2
81.03418	4.0
82.06573	1.8
84.08147	100.0
84.96046	7.0
85.02912	18.4
85.08472	1.2
86.09710	3.7
87.04469	3.4
87.05621	1.0
91.03950	1.1
97.02895	12.1
98.97589	65.3
99.04457	2.5
99.97878	1.2
100.07627	2.5
101.00849	1.9
102.00977	1.4
102.96954	0.9
104.01266	1.0
105.27148	0.9
109.02875	4.2
110.01298	2.6
110.97590	13.8
112.99131	1.8
115.08690	1.4
116.01236	1.1
116.07130	1.1
116.98628	14.7
117.10312	1.0
119.01839	3.0
120.02020	2.9
124.99123	2.8
125.01757	1.5
127.03932	4.3
128.02319	1.6
128.98618	10.3
129.10223	4.5
130.08646	2.6
133.01669	1.4
134.99661	2.8
135.04405	4.4
140.00188	2.0
140.98593	1.9
142.01765	1.0
142.08661	1.1
143.00179	3.7
143.01868	1.6
144.02011	1.3
144.98076	2.7
145.04938	3.0
146.02315	3.8
146.99660	4.0
147.04399	2.0
147.11391	1.4
152.02312	2.3
152.98604	1.5
153.26242	0.9
155.00124	1.5
155.02872	2.4
156.03471	1.5
158.99666	13.6
161.01320	1.2
161.02890	3.6
162.03069	2.0
165.03104	3.2
167.02968	1.1
168.03369	1.4
170.03391	4.4
170.99649	8.5
172.97490	1.4
174.03595	3.8
174.99144	1.4
176.98839	0.8
177.00696	5.2
182.03365	5.8
182.99648	2.1
186.03032	1.3
186.04480	1.7
189.00696	4.5
191.03899	8.2
192.03691	1.1
193.00250	1.1
193.98157	1.1
198.03503	1.3
200.04507	1.6
201.00772	5.5
201.04115	7.9
204.04019	1.7
204.05679	1.6
205.00160	2.3
213.00674	1.5
216.04736	1.3
219.01755	8.1
222.99081	1.0
223.01155	1.5
228.05447	51.6
237.02824	7.4
237.05215	13.9
241.00241	1.5
245.56877	1.1
246.06346	26.0
246.13228	1.6
246.15692	2.2
246.18221	3.9
246.55888	1.8
255.03915	2.0
264.07697	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	Ile Ile
Peak:m/z	Relative Intensity
55.05507	0.7
55.46555	0.2
56.05025	0.3
56.12465	0.2
56.96571	0.6
69.03426	0.5
69.07070	0.8
69.68532	1.7
70.06593	1.0
72.08162	1.1
79.05494	0.3
80.05027	0.9
81.07082	0.4
83.04990	0.3
84.08159	1.0
85.02934	0.4
86.09713	100.0
91.05488	0.6
93.07069	0.3
95.04988	0.5
95.08605	0.5
98.97584	0.3
105.07031	0.4
107.08595	0.5
114.03785	0.5
115.03950	0.4
128.10760	0.3
129.10237	0.4
132.10223	3.5
135.08141	0.4
135.11617	0.3
142.03241	3.7
145.02846	0.3
145.06493	0.4
145.10143	0.4
157.10139	0.4
170.02788	1.0
171.11673	0.3
173.13281	0.4
177.05534	1.2
199.05344	0.4
199.11171	0.6
199.18037	1.7
210.89499	0.3
215.18811	0.2
245.04341	2.4
245.08113	0.5
245.11906	1.0
245.18654	8.0
245.22469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1863
Annotation	Ile Ile
Peak:m/z	Relative Intensity
52.72413	0.2
56.05030	0.2
57.05812	0.5
58.06603	0.4
67.05505	0.3
69.07076	9.6
70.06585	0.4
70.19657	0.7
84.08149	0.4
86.09712	100.0
91.05531	0.6
95.08572	0.3
98.97597	0.4
102.47182	0.2
114.03798	0.3
128.10727	0.3
129.10265	0.3
132.10239	1.8
142.03229	1.1
198.47580	0.3
199.18137	0.7
245.04466	1.2
245.08266	0.3
245.18637	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	245.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59981	0.5
67.05517	0.6
69.03439	1.7
69.07081	1.7
69.48697	2.0
69.49113	0.9
79.05507	0.7
81.07066	0.5
81.64048	0.4
83.05001	1.1
91.05508	1.8
93.07079	0.8
98.20756	0.5
103.05463	0.6
105.07060	2.5
107.04906	0.4
107.08591	0.3
113.03466	0.4
115.05458	0.5
118.29414	0.4
121.06521	0.5
128.06232	2.7
129.07014	11.7
130.07785	0.4
131.04962	1.0
131.08575	3.1
133.06454	0.9
133.10136	1.3
135.11679	0.6
137.05978	0.6
141.07010	0.8
142.03246	0.8
142.07686	0.4
143.08548	2.9
144.05629	0.5
145.06496	0.8
146.07256	3.4
155.08577	1.4
157.06526	5.4
157.10181	1.3
158.07370	0.4
159.08070	1.1
160.05165	0.6
160.08797	0.4
161.09633	11.6
162.06674	0.5
167.08603	1.1
169.06509	0.7
171.08104	2.5
174.06819	2.7
175.07608	1.4
176.08377	0.6
177.08995	0.8
183.08095	1.0
184.08849	0.7
185.09644	1.4
185.13257	1.3
187.07607	0.9
187.11105	0.6
188.08130	1.6
189.09131	74.5
190.09644	0.5
195.08092	1.5
201.09091	1.0
203.10660	2.3
213.12715	1.0
215.10683	1.2
217.12193	1.0
227.10719	1.1
227.14369	0.5
230.11723	0.7
245.11906	5.3
245.15392	100.0
246.15791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1537
Annotation	2-Hydroxy-7-methoxycadalene
Peak:m/z	Relative Intensity
53.59981	0.5
67.05517	0.6
69.03439	1.7
69.07081	1.7
69.48697	2.0
69.49113	0.9
79.05507	0.7
81.07066	0.5
81.64048	0.4
83.05001	1.1
91.05508	1.8
93.07079	0.8
98.20756	0.5
103.05463	0.6
105.07060	2.5
107.04906	0.4
107.08591	0.3
113.03466	0.4
115.05458	0.5
118.29414	0.4
121.06521	0.5
128.06232	2.7
129.07014	11.7
130.07785	0.4
131.04962	1.0
131.08575	3.1
133.06454	0.9
133.10136	1.3
135.11679	0.6
137.05978	0.6
141.07010	0.8
142.03246	0.8
142.07686	0.4
143.08548	2.9
144.05629	0.5
145.06496	0.8
146.07256	3.4
155.08577	1.4
157.06526	5.4
157.10181	1.3
158.07370	0.4
159.08070	1.1
160.05165	0.6
160.08797	0.4
161.09633	11.6
162.06674	0.5
167.08603	1.1
169.06509	0.7
171.08104	2.5
174.06819	2.7
175.07608	1.4
176.08377	0.6
177.08995	0.8
183.08095	1.0
184.08849	0.7
185.09644	1.4
185.13257	1.3
187.07607	0.9
187.11105	0.6
188.08130	1.6
189.09131	74.5
190.09644	0.5
195.08092	1.5
201.09091	1.0
203.10660	2.3
213.12715	1.0
215.10683	1.2
217.12193	1.0
227.10719	1.1
227.14369	0.5
230.11723	0.7
245.11906	5.3
245.15392	100.0
246.15791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34568	2.8
60.08160	3.5
66.18726	2.6
69.69254	12.7
70.06608	15.6
75.79807	2.5
84.08146	30.7
98.21443	4.3
98.97598	4.8
101.00911	19.2
104.10757	100.0
116.07118	5.8
119.01912	10.5
130.08653	25.0
131.01933	5.1
143.01935	8.5
145.03514	5.2
155.01889	4.9
157.03510	6.0
161.02971	10.6
167.01978	5.2
173.03065	6.9
185.02953	13.2
197.02989	8.1
203.04047	6.3
245.05080	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	245.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	5.9
55.01870	1.9
55.05516	3.3
59.04992	2.4
67.05507	0.8
69.03434	0.6
69.07052	0.5
69.85332	2.4
70.25771	0.5
71.04996	2.9
72.08156	1.4
76.23791	0.6
79.05498	5.9
80.05835	1.1
81.03428	14.2
81.04150	0.7
81.07053	1.2
85.06548	8.6
87.04514	0.5
90.94821	0.9
91.05479	2.8
92.05830	0.6
95.04958	1.3
103.05476	3.4
105.07045	42.5
106.07368	2.7
107.04988	0.9
107.08612	1.0
113.03510	0.9
113.06019	34.3
114.06823	1.0
115.05489	2.9
117.07023	2.0
118.07339	1.0
121.06501	0.8
129.07021	2.6
131.04929	3.6
131.08568	1.3
132.05731	9.2
132.08905	1.0
133.06506	100.0
141.07104	0.7
142.03235	0.8
142.07835	2.7
143.04947	1.0
143.08577	1.1
144.05721	1.4
145.06512	3.5
146.10464	1.6
147.08047	0.9
147.11729	0.9
152.06219	1.3
153.07068	0.8
157.06477	3.9
157.10129	2.0
165.07063	0.8
167.08585	2.0
168.20251	0.6
170.07281	5.6
171.04446	4.1
171.08081	0.9
174.09944	0.8
180.95551	0.7
181.63161	0.6
185.09642	25.6
189.07320	1.0
195.08084	2.4
198.06850	2.8
213.09131	16.5
230.05699	0.6
245.04395	1.4
245.08148	1.1
245.11716	3.1
245.17267	3.9
267.76053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.05504	1.1
55.93524	0.4
56.05048	0.5
56.96579	1.3
58.99585	0.6
63.03904	0.3
64.44189	0.2
67.05502	0.4
68.05042	0.6
69.03437	0.5
69.07065	0.6
70.02969	0.3
70.06596	2.3
70.75481	0.6
71.04996	0.2
71.06958	0.3
72.08165	1.6
72.93806	1.4
73.02890	0.3
74.06075	0.3
76.02220	0.9
79.05083	0.3
79.05507	4.2
80.03329	0.2
80.05021	1.1
81.05806	3.3
81.07068	3.9
82.06573	0.5
83.04987	0.4
83.06121	0.2
84.04517	2.0
84.08150	2.8
85.02903	0.8
85.08483	0.5
86.06065	0.4
86.09708	1.7
87.04463	0.3
88.41042	0.2
90.94298	0.3
90.94815	1.5
94.06575	1.6
95.04955	0.4
95.08600	0.7
96.04505	1.1
96.08141	14.6
97.02906	0.7
98.97582	1.4
99.04455	0.3
100.11250	0.3
105.07031	0.4
105.79465	0.2
106.06558	1.8
107.04948	0.5
107.08611	0.2
110.97602	0.3
111.04478	0.3
111.05576	1.3
112.08751	0.2
113.03501	0.8
114.03797	0.4
115.03905	0.4
116.07072	0.4
116.98645	0.5
117.03360	0.4
121.06526	0.3
122.02753	1.7
122.06039	0.3
123.04504	0.3
124.07603	100.0
124.99110	0.3
125.04147	0.3
129.10242	0.6
130.05003	1.5
130.08617	0.4
134.99655	0.3
141.05476	0.6
142.03224	1.4
142.05046	0.4
143.00165	0.6
145.02872	0.6
145.06711	0.2
149.06001	0.3
149.37236	0.2
149.96103	1.5
150.78267	0.2
152.07144	0.3
156.04791	13.1
158.06282	0.5
161.01224	0.5
161.02960	0.6
167.97192	0.8
170.02803	0.3
172.97754	1.0
177.05496	1.1
182.11781	0.4
184.04272	0.2
184.09709	0.6
185.02968	0.4
190.98843	0.6
199.05238	0.4
199.07460	0.3
199.09032	7.5
199.10939	0.5
201.12448	1.1
209.13039	0.3
227.10509	0.3
227.13968	1.4
228.03291	0.9
228.06863	1.5
245.06171	1.4
245.09605	14.7
245.14923	1.3
245.18907	0.7
245.33693	0.3
267.03687	0.3
268.67123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01316	0.2
56.96561	0.4
60.95848	0.4
68.98289	0.4
69.03435	0.5
82.99837	1.5
84.99626	0.3
86.99314	0.6
97.02898	0.4
98.97587	2.2
99.04445	0.3
101.00888	11.8
102.00948	1.1
102.96878	5.7
103.00649	3.1
105.00351	0.4
109.02883	0.2
113.00890	2.2
115.02424	0.8
116.98634	0.9
118.50430	0.2
119.01930	14.8
120.01985	1.8
120.97919	2.3
121.01676	3.9
127.02409	0.5
127.03917	0.7
129.00334	0.5
129.03909	0.2
131.01906	3.7
131.05569	0.6
133.03452	1.3
136.99628	0.5
137.02980	1.4
138.98938	0.8
139.02461	0.9
141.98785	0.3
142.98593	1.3
143.01904	9.5
143.03622	0.5
145.03474	2.1
147.01372	0.8
149.02982	0.3
149.06642	0.3
155.01891	1.4
157.03474	6.6
158.99879	0.3
160.99675	4.2
161.02965	19.5
162.03041	0.5
167.01933	0.9
167.99615	0.2
169.03487	0.8
171.05130	0.6
171.06575	0.2
173.02968	4.5
175.04544	4.0
177.00963	0.7
177.02745	0.7
177.09668	0.3
178.01062	0.7
179.00700	16.2
179.03914	1.1
180.04140	0.6
184.04527	0.4
184.99684	1.0
185.02963	8.9
187.04596	1.4
189.06068	0.5
191.04042	1.6
197.02969	1.1
198.96788	0.4
199.00928	0.2
199.04494	1.1
201.02739	0.4
203.00790	3.1
203.04002	9.7
207.97160	0.2
215.03987	2.4
217.05682	0.3
219.01984	0.5
219.03851	3.0
220.02084	0.4
221.01782	22.5
221.05263	0.6
222.01964	0.9
227.00673	1.9
227.04008	2.1
233.04999	1.4
236.00540	0.4
244.98149	0.3
245.01851	11.7
245.05075	14.1
245.12221	1.7
261.03302	0.5
263.02884	100.0
264.03082	1.0
265.03360	0.4
268.03229	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	27.3
60.08157	7.6
69.72293	16.7
70.06601	30.4
70.98138	3.8
71.95267	6.3
72.08157	4.8
82.99843	4.1
84.08154	53.5
84.66718	3.4
84.96040	5.7
85.02888	3.9
85.08447	6.5
97.02880	6.5
98.20761	6.0
98.78189	3.8
98.97592	36.2
101.00897	51.1
104.10757	100.0
105.11087	6.1
113.00864	7.8
116.07103	9.7
116.98642	10.3
119.01933	48.5
121.48206	3.3
124.00739	7.7
124.95489	8.2
126.54897	3.3
127.02398	7.1
130.08643	23.2
131.01918	9.9
134.99619	5.1
137.00764	3.6
142.01790	13.4
143.01917	33.1
145.03465	10.2
155.01909	14.0
157.03476	23.3
160.02722	6.8
161.03003	44.8
167.01906	7.3
169.03433	5.9
170.96048	11.0
173.02950	22.2
174.99126	6.2
175.04517	7.2
179.01938	13.1
184.97679	5.4
185.02963	52.4
187.04611	8.4
188.02177	4.4
188.97041	16.7
197.03023	15.6
202.98621	6.9
203.04012	21.8
206.85291	4.4
206.98082	4.5
213.07906	5.8
215.04193	5.5
221.04626	6.6
227.04051	5.6
231.09041	5.0
245.05106	43.0
263.06165	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	244.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01888	0.5
55.05514	2.8
56.05016	0.9
57.07100	0.3
58.06587	0.6
59.05013	0.3
67.05507	4.5
68.02649	0.4
69.03435	1.4
69.07063	1.0
69.86349	1.7
70.06593	1.8
71.07381	3.3
72.08160	18.1
74.20641	0.4
76.74366	0.4
77.03889	0.5
79.05498	11.3
81.03423	1.5
81.07070	1.9
84.08159	0.8
86.09727	0.4
89.25381	0.4
91.04918	0.6
91.05488	11.9
93.03405	0.5
93.07044	1.5
95.04974	1.6
95.08622	0.9
96.04500	0.7
98.06041	1.2
98.20699	0.4
98.97585	0.4
103.05469	5.6
105.07036	100.0
107.04960	1.3
107.08602	1.0
114.09171	1.0
115.05466	1.6
116.06237	1.0
117.07025	23.6
119.08584	4.8
124.07611	1.0
126.09175	0.6
128.06216	0.7
129.07014	5.5
129.15536	0.5
130.07785	2.6
131.04955	1.1
131.08575	27.9
139.09920	6.1
139.10954	0.4
140.10703	1.0
143.08574	2.3
144.05695	2.1
145.06499	5.5
145.10132	30.3
147.11693	10.1
152.10693	1.5
155.06056	0.6
155.08565	2.5
158.07237	1.0
162.12697	0.4
164.10753	0.8
173.09630	18.2
199.14859	0.4
205.62894	0.4
216.17422	0.7
244.09859	1.2
244.16989	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1698
Annotation	2-Heptyl-4(1H)-quinolone
Peak:m/z	Relative Intensity
53.03947	1.7
55.01888	0.5
55.05514	2.8
56.05016	0.9
57.07100	0.3
58.06587	0.6
59.05013	0.3
67.05507	4.5
68.02649	0.4
69.03435	1.4
69.07063	1.0
69.86349	1.7
70.06593	1.8
71.07381	3.3
72.08160	18.1
74.20641	0.4
76.74366	0.4
77.03889	0.5
79.05498	11.3
81.03423	1.5
81.07070	1.9
84.08159	0.8
86.09727	0.4
89.25381	0.4
91.04918	0.6
91.05488	11.9
93.03405	0.5
93.07044	1.5
95.04974	1.6
95.08622	0.9
96.04500	0.7
98.06041	1.2
98.20699	0.4
98.97585	0.4
103.05469	5.6
105.07036	100.0
107.04960	1.3
107.08602	1.0
114.09171	1.0
115.05466	1.6
116.06237	1.0
117.07025	23.6
119.08584	4.8
124.07611	1.0
126.09175	0.6
128.06216	0.7
129.07014	5.5
129.15536	0.5
130.07785	2.6
131.04955	1.1
131.08575	27.9
139.09920	6.1
139.10954	0.4
140.10703	1.0
143.08574	2.3
144.05695	2.1
145.06499	5.5
145.10132	30.3
147.11693	10.1
152.10693	1.5
155.06056	0.6
155.08565	2.5
158.07237	1.0
162.12697	0.4
164.10753	0.8
173.09630	18.2
199.14859	0.4
205.62894	0.4
216.17422	0.7
244.09859	1.2
244.16989	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1697
Annotation	2-Heptyl-4(1H)-quinolone
Peak:m/z	Relative Intensity
51.02377	0.5
53.03930	1.5
55.01858	0.4
55.05510	2.7
56.05028	1.0
58.06598	0.6
58.11679	0.3
65.03940	0.3
67.05502	4.6
68.02655	0.3
69.03431	0.9
69.07085	0.5
69.72273	1.4
70.06593	2.1
71.07375	3.7
72.08157	20.0
77.03925	0.5
79.05494	12.0
81.03407	1.9
81.07059	2.0
84.08138	0.8
88.75676	0.3
91.05479	11.2
92.05843	0.4
93.03389	0.4
93.07036	1.0
94.06553	0.3
95.04979	1.0
95.08625	0.6
96.04506	1.4
98.06042	1.8
98.21490	0.5
98.97557	0.5
100.07619	0.4
103.05468	5.9
105.07030	100.0
106.07353	0.4
107.04949	1.4
107.08640	0.6
110.06108	0.4
111.06820	0.5
114.09169	1.0
115.05457	1.7
116.06230	0.8
117.07018	23.6
119.08579	5.5
124.07588	1.0
126.09155	0.8
127.03308	0.4
128.06212	1.0
129.07011	5.4
130.07796	2.6
131.04926	0.8
131.08568	27.3
132.08168	0.3
139.09920	6.3
140.10706	0.7
143.08565	1.8
144.05711	2.0
145.06491	5.7
145.10120	29.7
147.11687	10.3
152.10687	1.4
153.06955	0.6
155.06018	0.8
155.08542	2.3
157.10132	0.4
158.07269	0.7
162.12650	0.3
173.09627	17.9
183.04562	0.3
216.13963	0.4
216.17497	0.8
220.61629	0.3
239.31387	0.3
244.16971	54.9
245.17415	0.3
247.43701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98095	0.3
53.03950	1.6
54.82014	0.3
55.01873	0.6
55.05511	3.1
56.05046	0.5
57.03438	0.4
58.06603	0.6
58.34975	0.3
63.56967	0.4
65.03937	0.5
67.05512	4.8
67.18349	0.3
69.03436	1.3
69.07070	0.7
70.06593	1.8
70.84898	0.8
70.85220	0.4
71.07378	2.7
72.08162	17.7
77.03911	0.5
79.05501	10.7
81.03432	1.4
81.07063	1.5
84.08170	0.5
86.09724	0.6
91.05487	10.9
93.07055	1.4
95.04978	1.5
95.08602	0.7
96.04492	1.5
96.05758	0.4
98.06059	1.7
103.05489	5.2
105.07040	100.0
107.04955	1.3
107.08577	0.9
110.06018	0.5
111.06848	0.7
114.09191	0.9
115.05432	1.8
116.06227	0.7
117.07026	22.1
119.08584	5.9
124.07616	1.1
126.09162	0.6
128.06210	0.8
129.07018	5.3
130.07823	2.6
131.04941	0.7
131.08580	26.4
139.09938	6.9
140.10698	0.5
143.08594	1.9
144.05705	1.7
145.06505	6.4
145.10136	30.8
147.10529	0.6
147.11694	10.4
152.10725	1.8
153.07060	0.5
155.06029	0.9
155.08577	2.5
158.07327	1.0
167.82843	0.3
173.09633	18.0
178.06284	0.4
216.17491	0.7
244.16992	54.1
245.17337	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01877	1.1
55.05518	4.7
58.06602	0.9
65.03942	2.6
67.05510	24.9
69.03438	0.9
69.07067	4.0
69.23289	1.0
69.23692	3.8
70.06597	18.6
72.08152	5.7
75.31066	0.5
79.05499	100.0
81.03416	1.5
81.05771	0.8
81.07063	30.9
83.04987	1.0
83.39188	0.5
84.04487	0.5
84.08163	1.0
91.05487	59.6
93.03416	1.0
93.07055	13.4
93.07641	1.0
94.06557	0.8
95.04977	18.0
95.08621	1.4
96.04520	0.9
96.08124	2.4
97.06528	3.6
98.06058	1.2
100.07613	1.3
103.05470	2.1
105.04534	1.2
105.07038	74.7
107.04963	11.5
107.08601	55.0
108.08140	0.8
109.06521	3.1
110.09680	1.2
112.15474	0.5
114.09116	0.6
115.05459	1.9
117.07031	8.3
118.07845	0.5
119.04932	1.4
119.06119	0.9
119.08586	21.7
120.05726	0.9
121.06483	1.2
121.10155	0.6
122.06030	1.0
124.07623	1.0
125.01228	0.5
125.61640	0.5
126.05381	0.5
128.06192	1.5
129.07025	7.8
130.07823	0.5
131.04930	0.7
131.07593	0.9
131.08577	14.0
133.06514	3.1
133.10136	11.6
136.07642	0.9
137.08371	10.2
138.09184	0.7
139.09917	1.4
141.06985	0.9
142.07802	3.9
143.08537	0.8
144.05690	0.6
145.06505	2.4
145.10141	11.4
146.09665	0.6
147.08060	7.5
147.11696	48.6
148.11246	2.4
150.09120	0.9
153.95718	0.6
155.08569	0.6
156.75671	0.5
157.10135	6.3
159.11693	1.5
160.07489	0.6
160.11200	0.6
162.09175	0.6
171.04413	2.5
173.09637	4.5
175.11197	7.3
176.14426	0.6
189.11488	0.5
202.12202	0.9
213.09082	4.2
216.17476	0.6
226.18054	1.2
226.21657	0.6
244.16992	51.5
244.22508	1.4
244.26315	2.7
253.49409	0.5
253.70590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1335
Annotation	Atanine
Peak:m/z	Relative Intensity
50.31282	0.5
57.07080	7.1
58.06612	3.2
58.22574	0.5
61.93973	0.5
61.94327	0.5
62.06092	5.7
65.02500	0.5
66.03820	0.5
71.08637	3.4
71.52483	0.6
71.52857	0.6
72.08141	0.7
74.76127	0.5
76.04006	0.8
76.07633	1.4
82.07368	0.5
82.54694	0.4
83.61963	0.4
84.16016	0.5
85.10184	1.9
89.17634	0.5
115.05462	0.6
130.06534	35.9
132.08075	1.4
142.06569	0.5
146.05992	2.0
158.06026	17.1
160.07614	2.4
188.07077	100.0
198.22189	1.1
226.18042	1.4
244.13358	46.0
244.22813	5.5
244.26379	42.5
245.13817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1699
Annotation	2-Heptyl-4(1H)-quinolone
Peak:m/z	Relative Intensity
51.02382	0.4
53.03949	1.3
55.01873	0.5
55.05518	2.3
56.05044	0.5
58.06613	0.4
65.03943	0.3
67.05508	4.9
68.02663	0.5
69.03444	1.1
69.07071	0.8
70.06599	1.9
71.07384	3.5
71.53053	0.4
72.08164	18.1
75.66887	0.3
76.00577	0.3
77.03933	0.5
79.05504	12.0
81.03432	1.7
81.07076	1.8
83.03704	0.3
84.04544	0.4
84.08153	1.0
86.09727	1.2
86.35860	0.3
91.05491	11.8
93.03417	0.5
93.07046	1.0
95.04977	1.5
95.08600	0.7
96.04501	1.1
96.05767	0.3
97.05295	0.4
98.06075	1.6
98.09666	0.3
103.05486	6.4
105.07043	100.0
106.07388	0.4
107.04961	0.9
107.08578	0.6
110.06059	0.3
111.06850	0.4
114.09178	1.5
115.05463	1.4
116.06244	0.9
117.07035	23.1
119.08592	5.2
119.09424	0.2
124.07617	0.8
126.09190	0.7
128.06250	1.4
129.07018	6.0
130.07851	2.2
131.04926	0.7
131.08585	27.9
138.09140	0.7
139.09943	6.8
140.10745	0.9
143.08592	2.2
144.05698	2.1
145.06508	6.7
145.10138	31.0
147.11707	11.1
152.10655	1.7
153.07027	0.4
155.06050	1.2
155.08572	2.4
157.10162	0.3
158.07332	1.2
164.10724	0.4
173.09642	18.0
174.12550	0.3
178.12337	0.4
185.07147	0.6
216.17555	0.7
226.14374	0.3
244.17000	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12735	0.9
55.05505	1.0
60.04529	9.1
63.93470	0.7
67.05505	0.8
69.03483	0.9
69.07072	86.8
69.81248	2.5
69.81664	2.0
70.02953	6.8
70.06597	1.4
71.04953	1.3
72.08151	1.0
84.08157	1.2
86.09709	1.0
86.66743	0.8
88.03998	52.7
95.04945	0.9
95.08601	1.1
96.08138	1.3
97.06528	2.5
98.97562	1.5
102.05551	100.0
107.08590	1.8
111.08134	1.0
113.02388	1.2
121.06425	0.8
124.07588	6.9
130.04971	1.7
135.08083	2.4
139.07550	1.2
148.06058	98.6
149.05943	1.2
163.07518	2.8
166.08658	14.5
166.10001	1.6
167.07108	4.7
167.08278	0.8
184.09712	5.3
191.07028	1.2
198.11296	14.0
209.08060	1.5
212.09219	1.8
226.10783	4.9
227.09155	3.3
234.02458	0.8
244.11827	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	244.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02511	0.2
56.96561	0.9
69.97081	0.9
82.99855	0.7
83.99908	0.3
98.21457	0.4
98.97586	3.4
99.97931	0.9
101.00884	7.0
101.97214	0.4
102.00948	3.1
102.96860	0.4
103.23347	0.2
113.30843	0.2
116.98615	1.4
117.98951	0.7
119.01926	12.2
119.98289	0.2
120.02027	3.6
123.97897	0.4
131.01895	0.3
131.02818	0.2
134.82999	0.2
134.99701	0.4
136.00009	0.9
137.02954	1.8
138.03096	0.4
141.57076	0.2
141.98955	1.5
142.03500	1.2
143.01942	0.5
143.06494	0.2
143.88147	0.2
158.99956	0.7
159.99992	4.6
160.99631	0.5
161.02975	4.6
173.03027	0.2
176.03098	0.4
177.00957	2.8
178.01060	15.9
179.00703	1.3
179.04022	3.3
183.50963	0.2
183.99962	1.2
184.04590	0.3
185.02899	0.4
200.03165	0.3
202.01073	3.2
202.05676	0.4
203.00772	0.4
203.04073	0.9
215.03925	0.3
218.04202	3.3
219.02022	1.8
220.02132	21.8
221.01794	4.3
221.05132	0.6
226.01010	2.0
235.00891	0.4
238.98424	0.3
243.03746	0.3
244.02122	12.6
245.01726	0.5
245.05035	0.5
262.03207	100.0
263.02887	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	244.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
53.38854	0.3
54.74904	0.3
55.01871	0.8
55.05505	0.5
56.05033	0.7
56.96569	22.2
57.03444	3.6
60.04529	0.8
60.08152	0.5
61.02932	12.4
64.39716	0.3
68.05021	0.4
69.03439	3.0
69.04546	0.8
69.07072	0.6
69.82801	0.3
69.83097	1.6
70.06598	14.8
70.98121	2.9
70.99859	0.4
71.05000	0.9
71.06930	0.6
71.95262	3.1
72.08162	11.3
72.96049	2.1
73.02927	2.9
74.06075	0.4
74.97616	0.7
81.03413	1.0
82.01797	0.4
83.05016	0.4
83.06139	0.5
83.85228	0.3
83.97614	0.3
84.04504	2.0
84.08150	19.1
84.96029	1.7
85.02425	0.6
85.02911	6.9
85.08492	0.6
86.03209	0.4
86.09711	3.4
87.04463	0.8
88.99189	0.5
89.00777	0.6
91.02357	1.5
91.03973	0.5
92.01311	0.4
94.04063	0.6
95.02465	2.4
95.06110	1.6
96.06441	0.6
97.02896	4.3
97.99173	0.7
98.09698	0.4
98.97591	12.6
99.04459	1.3
99.97984	0.3
100.02898	0.3
100.99165	1.5
101.00883	2.0
101.07152	0.4
101.10803	0.5
102.05572	0.5
103.00622	0.4
103.02337	0.7
104.10749	0.7
105.11089	0.6
106.01077	0.5
106.05067	0.3
109.00544	0.4
109.02901	0.9
110.01289	1.0
110.03120	0.3
110.09696	0.9
110.97577	1.4
111.00244	0.7
111.02053	0.3
112.05099	100.0
112.99144	1.0
113.00865	0.6
113.02402	0.7
113.03497	1.1
113.07184	0.3
114.97038	0.4
115.00718	0.5
115.02441	0.7
116.03153	0.4
116.07095	3.4
116.98640	3.9
117.01978	0.4
118.01040	0.6
118.02836	0.9
119.00209	0.5
119.01900	4.3
120.00750	0.7
120.02048	0.4
123.00251	0.6
124.02782	0.6
124.95490	3.9
124.99108	0.4
124.99976	0.3
125.03686	0.4
126.00791	0.3
126.02502	0.9
126.97133	0.4
127.00682	0.5
127.02438	0.5
127.03922	2.5
128.02333	0.5
128.07062	0.6
128.97795	0.4
128.98618	1.9
129.10257	2.9
130.05038	0.5
130.08652	2.3
130.93297	0.5
131.00150	1.3
131.01907	1.5
132.00706	0.8
133.01608	0.5
133.03442	0.5
134.99661	1.0
140.98665	0.5
141.01286	4.0
141.03026	1.6
141.04762	1.9
142.53046	0.3
142.96523	2.9
143.00238	0.4
143.01886	1.2
144.05096	0.8
144.98112	0.5
144.99925	0.3
145.01723	1.9
145.03404	1.8
145.04988	0.6
146.55051	0.6
146.99658	1.5
147.01366	0.5
147.03107	0.8
147.05080	0.7
147.11302	1.3
148.02022	0.4
149.01230	0.9
149.04761	0.5
150.01813	5.3
152.94955	1.4
153.05772	0.6
153.55885	0.9
154.01811	0.9
154.03865	4.9
154.05717	0.5
154.08611	0.3
155.01892	1.3
155.08278	0.4
155.11792	0.4
156.03609	0.6
156.05298	0.3
156.98073	0.8
157.03526	0.8
158.08144	1.6
158.99710	1.4
159.02365	0.4
160.04562	0.5
160.97615	1.1
161.01147	1.3
161.02925	1.9
162.99149	0.3
163.02843	3.3
163.04431	9.7
163.06438	0.5
163.12451	0.4
163.54559	0.4
165.00751	0.6
166.00217	0.4
167.01881	0.4
167.07147	0.4
168.01901	0.6
169.04498	0.8
170.04912	0.4
170.96024	7.3
170.99670	0.5
172.02995	1.5
172.04605	1.4
172.07101	0.8
172.97572	0.4
173.01326	0.6
173.03029	2.2
173.09239	0.6
174.01903	0.7
174.04327	0.4
174.55220	0.4
174.99165	1.8
175.00786	2.2
175.04659	0.5
177.00819	0.6
178.04982	1.1
181.03862	0.7
182.01552	0.9
182.03404	0.9
184.01350	1.8
184.02910	0.6
184.04688	1.0
184.97581	1.1
185.03008	1.1
186.04541	0.4
186.06053	0.5
186.99115	0.7
187.00636	0.5
188.02376	0.7
188.97089	16.3
189.00719	1.4
189.56093	0.3
190.03889	2.4
190.05685	1.3
190.98688	0.4
191.02119	1.5
191.03964	1.2
193.00334	1.5
193.03821	0.5
193.97626	0.5
196.01346	1.3
197.03018	0.4
198.00816	0.9
198.04474	0.5
199.03900	0.5
200.02559	0.4
200.04308	0.6
200.07831	0.4
200.12170	0.8
201.00752	0.7
202.03915	1.5
202.05661	0.7
202.98663	3.1
203.02254	0.7
203.04030	0.7
204.05576	0.5
205.00162	0.6
205.01860	2.9
205.03818	1.1
206.98143	6.5
207.01826	0.5
208.04985	1.2
211.98677	3.9
212.07677	1.0
214.02280	0.5
214.03964	0.5
214.05678	2.1
214.98685	0.5
216.05457	1.2
217.00302	0.4
219.01794	1.4
219.03662	0.4
220.04924	2.1
220.99712	4.7
221.03210	0.4
221.05110	1.5
226.02315	1.7
226.05772	0.9
226.11983	1.2
227.10249	0.5
227.13965	1.1
229.99742	1.3
230.08827	1.0
232.06770	2.2
235.02919	1.2
235.06526	2.2
237.02831	0.8
239.00732	0.9
239.06319	0.5
244.04924	0.7
244.06955	4.7
244.09492	0.8
244.12903	0.5
244.16606	6.6
244.19221	1.9
244.99815	0.5
245.05110	1.1
261.02780	0.4
262.03531	0.4
262.05951	1.4
263.00745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75639	0.8
55.05515	1.8
56.05014	1.0
56.96568	5.1
57.03431	1.1
60.05653	25.3
61.02920	1.2
67.05508	1.4
68.05025	1.3
69.03445	1.4
69.07076	27.2
69.82904	4.5
70.06599	73.8
71.04989	2.4
71.92979	0.8
72.08170	10.4
72.70988	0.9
72.93804	1.2
73.02895	1.3
78.13834	1.0
79.05497	1.6
81.03401	1.0
81.04541	3.8
81.07050	2.4
83.06100	1.9
84.04515	61.1
84.08150	10.1
84.96019	1.9
85.02904	2.1
86.06062	3.2
86.09715	74.0
88.09756	0.9
91.05491	1.2
93.07031	1.1
95.04958	1.2
95.08598	2.8
97.02914	1.7
97.06527	1.0
98.06065	1.3
98.21411	1.3
98.97608	8.4
99.04457	1.1
102.05553	1.7
105.07006	2.8
107.08633	1.4
109.06513	1.7
109.10190	2.0
110.07204	1.2
110.97588	0.9
112.08746	6.5
113.03241	1.0
113.07124	1.8
114.10310	1.5
115.08710	5.5
116.07103	32.2
116.98619	3.4
119.08556	1.6
121.06519	2.1
123.04431	2.2
124.04790	1.2
127.05042	1.3
128.04558	1.3
128.07155	0.9
128.11870	7.9
128.98648	0.8
129.06607	3.6
129.10240	3.5
130.04980	0.9
130.08786	1.8
130.09764	11.2
130.10651	1.6
131.00162	0.9
132.10219	29.0
133.09763	3.8
137.05983	1.7
140.04645	1.6
141.06606	2.6
143.00171	1.1
149.96112	0.9
154.01982	4.4
155.02722	2.9
155.07007	1.7
155.11766	2.2
158.09296	10.9
158.99652	2.6
161.01265	1.7
163.03973	1.8
166.05919	1.4
171.11757	0.9
173.01141	1.3
175.11923	14.6
177.00746	2.0
180.01131	3.0
181.04910	1.6
182.99594	1.3
189.00763	2.3
197.03882	9.6
197.12872	32.3
198.16052	8.8
201.00761	2.1
207.06517	1.0
215.13930	1.1
219.01778	2.3
222.08290	1.4
223.08926	0.9
225.12332	2.1
225.14627	1.6
225.16945	0.9
242.45941	1.0
243.02007	1.4
243.04446	14.0
243.06644	1.9
243.10973	2.0
243.13533	11.5
243.18193	100.0
243.21712	4.6
244.02881	1.5
261.02750	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1747
Annotation	Dehydrofalcarinol
Peak:m/z	Relative Intensity
52.02901	0.2
55.01874	0.4
55.05507	2.4
57.07060	0.8
58.06586	0.3
67.05492	0.7
69.07066	2.4
70.83799	0.6
79.05482	1.1
81.07040	1.0
83.08600	1.1
86.55339	0.3
91.05476	1.8
93.07053	0.7
95.08599	0.9
97.10159	1.0
105.06398	0.3
105.07037	3.8
107.08606	1.2
109.10149	1.4
115.05480	0.4
117.07033	0.9
119.04931	0.9
119.08578	0.7
121.06507	3.8
129.07024	0.7
131.08571	1.7
131.18718	0.3
132.96765	0.3
133.06503	15.0
133.10143	0.4
133.49391	0.3
135.08063	11.3
135.11685	0.3
137.06015	0.5
141.06996	0.6
143.08556	0.8
144.05734	0.7
145.06491	2.1
145.10120	1.3
146.07346	0.3
147.08058	9.2
149.09633	0.6
155.08536	0.8
157.10112	0.8
158.07272	1.3
159.08064	6.1
159.11717	0.9
161.09621	4.4
169.10120	1.0
171.11670	0.3
172.08826	1.0
173.09610	2.8
175.11227	2.4
178.96060	0.3
183.11610	0.3
187.11208	5.9
198.12285	0.3
201.12875	1.2
225.16360	1.2
243.17455	100.0
243.28839	0.8
244.17442	0.9
249.36308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31537	0.8
53.03944	1.1
55.05515	5.1
56.34177	0.8
57.07078	5.5
57.58811	0.8
58.06601	1.3
67.05511	22.9
69.07064	3.9
70.84435	2.6
71.04990	2.2
74.26449	0.9
79.05502	7.7
81.07061	100.0
83.08611	1.6
85.06562	1.1
85.69496	0.8
91.05488	5.0
93.07052	11.7
95.04971	4.2
95.08609	21.9
96.08963	1.1
98.06077	1.8
99.06386	1.1
100.44089	0.9
105.06435	1.2
105.07033	7.0
107.08614	2.5
108.31216	0.8
109.06525	1.6
109.10158	3.9
117.07003	2.2
119.08588	4.1
121.10168	3.1
123.11714	97.9
123.80143	1.0
124.12053	1.2
131.08586	4.3
133.10107	4.3
135.11737	1.9
141.12708	5.7
145.10132	5.3
147.11684	3.3
149.13283	1.3
151.11229	4.8
156.76678	0.8
159.11734	3.3
161.13277	4.4
169.12195	5.5
173.13281	3.1
178.96051	1.4
183.13867	4.4
187.14816	2.8
201.16402	1.3
225.08960	0.9
229.14365	6.1
243.06546	2.4
243.17670	1.1
243.21175	25.1
243.28859	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	243.1382
Annotation	Culpin
Peak:m/z	Relative Intensity
55.05511	0.8
59.41910	0.3
67.05527	0.6
69.07077	14.4
69.14913	2.5
72.88115	0.3
78.22482	0.3
79.05506	0.4
81.07063	0.9
81.35228	0.3
86.69964	0.3
91.05484	1.7
93.07057	0.6
95.08619	0.5
98.20803	0.6
103.05469	0.3
104.48095	0.3
105.07052	0.7
107.08591	0.3
109.10143	0.4
115.04803	0.2
115.05440	1.5
115.42882	0.2
116.06235	0.8
117.07033	0.4
121.10172	0.4
125.70011	0.3
128.06265	0.8
129.07021	4.5
131.08577	3.3
133.10168	0.6
141.07005	19.4
141.20067	0.3
142.07787	1.2
143.04991	0.4
143.08525	0.3
144.05717	11.7
145.00121	0.2
145.06467	0.5
145.10143	0.6
147.08084	0.2
147.11736	0.7
153.07005	1.0
154.07806	0.6
155.04971	0.3
155.06049	0.5
155.08575	9.2
157.06534	1.0
157.83145	0.3
158.07278	0.3
159.08066	7.9
159.11748	0.3
160.05229	1.5
161.13284	0.9
165.07068	0.4
167.08426	0.4
168.09372	3.2
169.06528	3.6
169.10065	0.4
172.05212	8.3
173.06026	0.3
173.13258	0.7
175.07564	7.0
178.07741	0.4
181.06551	0.8
181.10199	0.7
182.07289	0.8
183.08276	0.5
183.11719	17.7
185.05914	0.5
186.06775	0.4
187.07562	100.0
188.07925	0.5
193.10149	1.0
195.08084	0.3
196.08823	1.2
201.09148	0.7
211.11203	21.2
212.11932	1.1
213.09039	0.4
215.17924	0.3
225.09062	0.3
228.11497	2.4
229.12170	0.3
243.13832	35.8
243.17329	1.6
243.21051	3.5
252.13734	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1019
Annotation	RESVERATROL 4'-METHYL ETHER
Peak:m/z	Relative Intensity
53.03935	0.7
55.01866	1.6
58.06599	1.1
65.03958	0.7
67.05486	1.2
69.07071	0.6
71.52885	0.9
72.08150	0.8
76.43919	0.5
79.05489	2.0
81.07076	1.3
85.02907	0.9
87.34253	0.5
91.05489	21.4
93.07043	2.2
95.04971	3.2
95.08643	0.7
97.02906	1.2
100.11269	2.3
101.11610	1.5
103.05495	1.5
105.07038	9.6
107.04970	12.3
109.06563	1.2
111.04449	0.6
115.05423	1.1
117.07022	0.7
118.04202	0.7
119.04950	14.5
119.08598	0.8
120.05704	3.3
121.02853	2.0
121.06517	30.6
123.04443	8.7
124.05212	1.4
125.05981	2.0
129.07025	0.7
131.04919	0.6
131.08545	1.3
133.06508	15.9
134.03696	1.0
135.04451	3.7
137.05978	3.5
141.06987	0.8
142.15927	4.9
143.16296	3.9
145.06490	2.2
145.10135	0.7
147.04362	0.7
147.08066	2.5
149.05991	19.9
150.06793	4.6
153.07031	2.2
154.07768	1.4
155.08542	1.6
157.06480	1.6
159.08078	1.8
165.07014	11.2
166.07808	1.3
168.05688	1.2
169.06490	1.0
171.04427	0.6
171.08049	0.6
173.06107	0.6
173.09634	0.9
177.07040	1.2
179.08522	1.0
181.06493	2.6
182.07254	3.4
183.08057	6.1
185.21001	0.8
186.22255	1.1
187.22530	2.2
193.06421	1.0
194.07320	1.5
195.08134	1.1
197.09627	3.9
199.07487	0.8
201.09200	0.5
210.06776	5.5
211.07593	4.1
212.08350	3.6
215.10666	1.5
225.09064	3.4
227.07027	1.4
228.07852	4.6
242.28371	2.9
243.10196	100.0
243.28798	26.4
244.10605	0.7
244.16846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0866
Annotation	Genipinic acid
Peak:m/z	Relative Intensity
53.03934	3.3
54.15841	1.1
55.01866	3.9
55.05507	1.9
56.96560	2.3
57.03443	6.0
61.02925	11.2
65.03944	6.5
67.05514	9.1
69.03413	6.8
69.07071	2.2
70.06586	5.3
70.50293	1.2
71.04984	4.1
71.52168	1.8
72.08125	1.4
77.03931	1.7
79.05499	12.5
81.03400	3.4
81.04530	1.3
81.07067	11.0
82.04212	2.1
83.04956	4.3
84.04530	1.7
84.08148	38.0
85.02911	9.5
85.06535	2.5
86.09707	3.3
91.05492	30.3
91.52859	1.5
93.03406	3.1
93.07048	12.4
94.04175	1.5
95.04971	24.7
95.05563	1.7
95.08601	6.3
97.02897	4.2
97.06511	5.9
98.97591	3.6
99.04451	3.5
103.05443	1.9
105.03390	3.6
105.04531	1.2
105.07050	17.3
107.04960	15.3
107.08591	2.5
108.02114	1.6
109.02831	1.7
109.06522	20.4
109.10168	2.1
110.03636	5.1
111.04446	3.7
111.08099	2.0
114.12763	1.5
116.98628	2.2
117.07020	5.1
119.04967	7.2
119.08598	25.0
121.06514	12.4
121.10172	2.5
123.04443	30.8
123.05329	1.8
123.08076	27.9
125.02375	5.3
125.05994	11.8
127.03929	1.7
128.06255	2.1
129.06989	2.3
130.04990	3.2
132.10196	1.2
133.02872	11.6
133.06502	2.9
133.10138	5.6
135.04407	6.1
135.08067	2.1
136.07355	1.2
137.05994	25.9
137.09618	8.0
138.03136	1.9
139.07576	9.0
140.04691	89.9
142.02568	2.3
143.00165	1.3
143.08571	6.0
145.06532	1.9
145.10072	2.1
147.04410	5.7
147.08052	21.1
148.01563	1.5
149.05995	3.6
151.07552	4.7
152.04698	1.6
153.05489	2.2
155.07042	100.0
161.09647	10.8
161.13226	2.5
163.03914	3.9
163.11148	2.3
165.05507	20.0
165.09128	50.4
167.07033	15.0
169.08669	2.5
171.06598	2.4
173.08122	6.4
177.00633	1.5
179.07059	10.0
179.10690	8.0
180.04173	17.6
181.04976	65.6
181.08527	2.0
183.06566	3.3
183.10179	39.0
184.03680	2.2
185.08078	3.8
189.09140	11.1
193.04982	23.6
195.06525	10.2
197.08115	7.8
197.17281	1.6
199.08467	1.6
207.06557	25.5
207.10161	37.1
211.07687	1.6
225.07614	21.1
225.11148	12.2
225.14784	1.9
231.05257	3.3
243.08626	19.9
243.12192	2.9
243.16991	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	243.0865
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
52.11520	0.9
53.03945	3.3
54.54290	0.9
55.01863	4.4
55.05498	1.2
56.36743	1.0
56.96550	2.1
57.03438	6.9
58.06601	1.0
60.04516	1.2
60.47966	1.1
61.02929	10.2
65.03946	8.5
65.27753	1.2
67.05491	6.1
67.21857	0.9
68.31360	0.9
69.03423	3.6
69.07058	2.3
70.06588	4.3
70.23373	3.1
71.01347	0.9
71.04997	5.3
72.08137	3.3
74.85270	0.9
77.03911	1.5
79.05501	10.7
80.05824	1.8
80.44763	1.0
81.03416	2.1
81.07068	9.4
82.04185	2.5
83.04984	3.3
84.04527	3.2
84.08133	2.7
85.02920	6.6
85.06555	2.0
86.09711	2.7
86.76359	1.1
87.04471	1.5
91.05482	21.7
93.03399	2.6
93.07061	5.7
94.04203	2.0
95.04973	17.5
95.08613	3.8
97.02876	2.6
97.06525	4.0
98.97584	4.2
99.04443	2.2
105.03374	3.1
105.04523	1.4
105.07053	10.0
107.04948	9.4
107.08582	2.4
108.02050	1.7
108.05242	1.9
109.02901	2.5
109.06513	19.2
109.10157	1.6
110.03654	3.9
110.15582	1.0
111.04442	2.5
116.98651	1.6
117.07000	1.2
119.04948	7.5
119.08607	10.9
121.02888	1.3
121.06509	5.2
121.10206	1.0
123.04440	17.4
123.08081	9.3
125.02347	5.8
125.06004	4.5
128.06236	1.6
133.02864	11.2
133.06509	1.5
133.10126	5.6
135.04420	6.4
135.08072	1.4
136.04738	1.5
137.05981	25.9
137.09608	2.3
138.03145	1.6
139.07562	1.8
140.04688	94.4
140.10736	2.8
142.02614	1.9
143.08556	3.4
145.10139	1.6
147.04440	5.5
147.08051	9.1
151.03899	1.1
151.07539	8.5
152.04660	2.0
153.05466	3.7
155.07034	100.0
158.99651	2.3
161.09653	7.3
163.03902	3.3
164.04660	1.0
165.05479	18.4
165.09111	18.0
167.07066	3.3
167.90096	1.0
169.05061	1.4
169.08578	2.2
171.06506	3.8
173.08096	4.5
177.00693	1.5
179.07071	12.9
179.10669	7.8
180.04182	16.0
181.04964	76.0
183.06538	4.9
183.10229	5.6
185.08221	0.9
189.09084	3.3
189.12772	1.1
193.04962	23.9
195.06535	12.4
197.03056	0.9
197.06389	1.6
197.08076	9.8
207.06543	26.7
207.10136	15.9
214.06551	1.2
215.04541	1.3
223.07285	2.0
225.05540	0.9
225.07587	22.7
225.11227	8.8
231.05220	4.8
243.06259	1.7
243.08582	19.0
243.10770	1.2
243.14156	3.3
243.17871	2.0
243.21419	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94941	0.6
53.03937	0.5
55.05515	2.1
56.96572	8.8
57.03432	2.3
57.07074	0.5
59.04998	1.8
60.85985	0.5
61.02928	7.0
61.42900	0.5
68.05027	2.1
69.03442	0.6
70.06615	3.0
70.14695	1.4
70.98124	2.0
71.05001	4.4
71.95263	0.6
72.08157	1.5
73.02924	0.9
75.18278	0.5
79.05501	1.5
81.07063	8.9
83.04995	0.6
83.06114	9.9
84.08151	22.3
84.96045	1.1
85.02895	2.9
86.09748	0.6
87.08131	1.6
87.58447	0.5
88.99176	0.9
91.25777	0.5
95.06098	75.8
97.02932	0.8
97.07683	0.7
98.09704	2.3
98.21449	0.7
98.97595	14.9
99.04430	0.9
101.00869	0.9
104.01299	0.6
107.06099	1.2
109.07690	0.7
110.97591	3.0
112.08738	30.8
112.99133	1.3
114.80285	0.6
115.00713	0.8
116.07121	0.6
116.98626	4.2
118.01086	0.9
119.01826	1.0
121.07628	2.8
123.00176	0.9
127.03914	2.8
128.98619	1.6
129.00157	0.5
129.10223	1.6
131.00186	1.0
132.00761	0.7
134.99620	0.8
138.10284	2.4
140.98613	1.7
143.00171	1.0
146.99603	0.9
147.02986	0.5
148.02098	0.9
148.03897	1.9
151.12332	2.3
157.02618	2.1
158.99649	1.8
161.04666	0.7
163.12318	30.5
172.02882	0.6
173.01172	0.7
174.99220	1.0
177.00757	1.4
181.13364	1.1
182.01625	0.6
182.03378	1.1
186.99228	0.6
189.00644	1.2
191.02184	0.7
192.15025	0.8
193.13374	7.4
200.02232	0.9
201.00752	1.5
207.01616	0.8
210.16037	20.0
213.15985	0.7
219.01747	3.2
219.03587	0.7
225.15987	8.8
237.02837	1.9
242.03419	0.8
242.07059	2.0
242.18651	100.0
243.19073	1.0
260.08063	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.05278	0.8
55.05512	8.6
57.07077	23.8
67.05505	7.2
68.35950	0.6
69.07072	14.1
70.06593	3.9
70.42304	0.6
70.42637	1.3
71.04981	2.1
72.08149	1.1
72.56962	0.5
74.06081	1.3
74.09731	3.8
79.05480	1.5
81.07058	22.6
83.04978	1.2
83.08626	5.8
85.06530	1.7
86.06067	0.7
89.06040	0.5
93.07018	2.3
95.04965	1.6
95.08609	30.4
97.10184	2.5
98.06059	28.6
99.06847	0.9
99.08070	0.9
100.07618	1.3
105.07037	0.7
107.08572	1.6
109.06503	1.5
109.10139	1.6
111.08092	1.6
112.07582	2.1
113.09673	0.7
123.08083	1.1
123.11716	24.6
125.13255	1.2
126.12778	2.3
130.12282	3.5
133.10114	1.7
140.10722	2.8
141.12738	1.3
151.11183	5.9
154.12274	8.3
155.13080	0.5
156.13817	0.6
168.13863	2.7
169.12244	15.1
187.13347	3.9
196.20566	0.9
212.21092	0.6
224.20120	8.6
242.21152	100.0
243.21544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1178
Annotation	Clausenine
Peak:m/z	Relative Intensity
55.05507	2.2
57.07079	3.9
60.27571	0.5
67.05496	1.0
68.05018	0.5
69.03458	1.3
69.06725	0.6
69.07076	5.9
71.08639	2.4
71.52717	0.6
72.08145	1.2
79.05488	1.1
81.07035	0.8
83.08613	1.9
88.07641	3.8
98.09699	2.5
103.05478	0.5
105.07043	0.7
124.86784	0.5
128.06235	1.0
130.06528	7.3
130.15916	0.7
132.04480	1.2
140.14352	0.7
142.15895	1.2
143.08568	1.3
146.06039	0.8
152.06239	0.5
153.12753	8.3
158.06017	4.1
159.64375	0.5
162.05544	3.5
165.07039	2.1
167.07301	1.5
168.08064	0.7
171.08054	1.8
172.07631	0.7
174.05528	1.4
181.08900	0.5
182.09685	2.4
184.07564	2.3
186.05504	2.3
188.07082	12.7
191.07346	0.7
192.08133	2.1
196.07568	1.7
198.05481	1.3
198.09207	0.7
199.06313	0.6
200.07074	2.1
209.08438	3.5
210.09157	44.5
211.09874	2.2
212.07088	39.5
212.10631	2.0
212.23676	0.5
219.08139	0.6
224.10818	3.5
224.20125	7.0
226.08601	2.1
227.09430	4.6
242.11781	100.0
242.21303	2.4
242.24765	2.5
242.28441	15.2
248.99052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1177
Annotation	(S)-N-Benzoyl-2-hydroxy-2-phenylethylamine
Peak:m/z	Relative Intensity
51.02383	0.4
53.03950	3.3
55.01876	0.3
56.15047	0.2
57.07080	0.2
58.06604	0.5
70.04864	0.9
70.06580	0.2
76.88452	0.2
77.03909	1.1
79.05503	0.4
81.03415	0.5
91.05487	5.4
93.07050	10.8
94.44806	0.2
95.04975	4.0
98.09697	0.5
100.11261	1.0
103.05472	7.9
105.03398	100.0
106.03732	0.3
118.06562	0.2
121.06511	71.6
122.06065	1.4
122.06828	0.3
130.15913	0.2
136.07567	0.2
140.14384	0.2
142.15921	2.8
148.07556	0.3
184.20613	0.3
186.22154	0.7
193.76230	0.2
242.11765	20.3
242.21181	0.6
242.28439	8.4
243.12059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85998	0.6
53.03941	0.9
55.01874	0.9
56.05056	3.2
56.05264	0.7
56.96569	7.4
57.03445	0.8
57.07076	0.8
58.06605	0.8
59.05008	0.8
60.04525	0.9
61.01160	11.9
61.02938	1.6
67.05513	1.0
68.05029	1.8
69.03418	2.0
69.07080	1.8
70.06592	4.9
71.04995	0.6
71.51512	0.7
72.08157	2.9
73.02922	3.0
74.06077	2.7
77.01341	0.7
78.03802	31.4
79.55067	0.7
81.03434	1.2
82.06555	0.6
82.07361	0.7
83.05013	0.8
83.06110	17.6
84.04517	4.5
84.08154	5.6
84.96043	1.3
85.02921	3.3
86.09715	4.2
87.04401	0.6
91.05495	1.6
93.07035	1.3
95.04992	11.7
95.06087	6.9
97.02908	1.7
97.06572	0.7
98.09713	2.0
98.97598	14.4
99.04440	1.3
101.02381	0.8
103.05463	0.9
110.01288	1.7
110.07162	2.2
110.97577	2.9
111.05546	0.8
112.07684	0.9
112.08720	1.4
112.99165	1.0
116.98651	4.2
119.01863	1.6
119.08610	0.8
121.06513	1.4
121.07629	3.0
123.04443	100.0
124.03920	3.5
127.03967	1.6
128.02354	1.0
128.98630	2.6
129.10280	3.4
131.00212	0.7
131.01801	0.8
132.02568	0.6
134.99695	0.9
136.07637	1.0
137.06041	0.8
138.10268	2.6
139.78250	0.7
140.02304	1.2
140.14426	1.0
140.98621	0.7
143.00185	1.9
146.99620	0.7
147.03377	1.0
155.00159	1.0
155.04669	5.1
156.07687	0.7
158.99669	4.3
161.02829	2.4
161.04663	1.6
164.05200	1.0
165.05498	43.1
170.99680	2.1
173.04665	1.1
177.00729	3.6
182.05249	1.5
189.00671	1.2
189.04037	1.1
191.04091	1.2
191.05774	2.7
196.09811	1.1
196.11534	0.6
196.14508	2.1
197.07230	0.6
201.00671	1.4
201.04301	0.6
203.05775	0.6
212.06242	4.7
214.15619	0.7
219.01833	4.5
221.06699	1.0
224.09271	1.3
224.13705	0.9
224.16504	0.9
233.07037	0.8
237.02882	4.9
242.06606	1.4
242.10083	0.9
242.11729	0.8
242.15096	13.1
242.17596	1.3
242.18869	1.2
242.21254	2.4
256.53745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2163
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
50.97482	3.7
55.05519	26.5
56.96543	4.3
57.07069	14.6
58.06601	9.8
66.73022	4.3
67.05509	25.1
69.03426	7.2
69.07074	39.5
70.72531	9.7
70.72901	9.0
71.04988	28.2
71.08614	4.1
71.85566	3.9
79.05482	17.3
81.06606	5.2
81.07069	100.0
83.04958	4.5
83.08628	30.7
85.06535	19.3
91.05488	11.1
93.07050	26.5
95.08617	87.4
97.10157	13.2
98.97587	7.6
99.08105	23.6
105.07062	7.5
107.08604	25.1
109.10169	45.7
111.08086	8.4
121.06508	5.7
121.10170	20.4
123.11732	26.6
126.35148	5.0
127.11189	4.5
129.05493	5.6
131.08554	5.1
131.15831	4.3
134.99626	4.9
135.11710	24.8
137.13275	43.3
145.10126	7.9
149.13281	28.8
167.14319	5.7
177.06656	4.3
182.04547	11.6
193.19472	5.0
195.13873	5.9
205.12024	4.6
205.19502	12.0
207.75957	4.5
211.20621	39.1
223.20560	11.9
241.08418	5.0
241.12198	8.8
241.14438	15.8
241.19585	6.0
241.21664	46.0
242.21024	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	241.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11564	1.2
53.03940	1.5
55.01867	1.3
55.05514	3.3
56.96566	1.9
65.03920	1.5
67.05511	9.0
69.03424	1.6
69.07081	10.4
69.99114	1.3
71.51740	1.7
79.05507	5.4
81.07066	12.8
83.08622	1.8
84.96035	2.6
85.06567	1.4
91.05489	15.1
93.07047	8.0
95.05001	1.4
95.08616	10.6
98.97605	1.8
105.07038	11.3
106.10796	1.0
107.04966	2.5
107.08612	10.0
109.10175	9.5
115.05476	3.8
117.07029	2.6
119.04944	3.1
119.08591	4.8
121.06519	29.4
121.10152	4.1
121.11976	1.1
122.10920	2.6
123.95578	1.1
127.00611	1.4
128.06259	5.3
129.07021	10.3
130.07861	1.6
131.04941	2.1
131.08600	5.3
133.06505	23.0
133.10179	2.9
135.08086	4.6
137.05939	2.3
141.06979	5.5
142.07756	9.8
143.08591	7.4
144.05727	6.3
145.06502	10.3
145.10237	1.8
147.08061	20.3
151.07538	2.8
152.06253	2.3
153.07031	2.1
155.08582	12.5
156.09384	1.6
157.06508	10.7
157.10138	7.7
158.07266	8.2
159.08087	13.4
161.09602	6.5
164.03470	1.3
165.07022	4.3
166.07875	2.3
167.08586	4.2
169.06464	2.5
169.10220	1.8
170.07278	7.7
171.08099	12.4
171.11778	1.8
172.08929	3.1
173.09644	11.3
179.08603	2.2
181.08649	1.4
181.10176	3.0
182.04553	3.1
183.08073	3.4
183.11639	1.6
184.08838	4.8
185.09634	55.3
193.10158	4.2
197.05931	1.7
197.09666	1.7
198.10388	5.2
199.11203	22.2
202.57895	1.1
208.12453	2.7
209.05980	4.1
212.12024	1.2
213.06956	3.3
213.09032	1.3
213.12889	2.3
222.44991	1.4
223.14854	9.2
226.13643	1.5
241.08206	4.6
241.15915	100.0
246.21823	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1588
Annotation	Dehydrofalcarinone
Peak:m/z	Relative Intensity
53.03935	0.8
55.01877	2.5
55.05519	2.8
57.07061	1.0
65.03930	1.2
67.05509	7.1
68.68337	0.3
69.03421	0.6
69.07073	7.5
69.62613	1.2
69.63024	0.4
71.04987	0.8
77.03931	0.5
79.05071	0.4
79.05497	4.8
81.03387	0.3
81.06593	0.4
81.07063	8.1
82.74854	0.2
83.08643	1.3
85.06528	0.8
91.05486	13.7
93.03423	0.3
93.06503	0.3
93.07056	4.8
95.04985	0.8
95.08614	7.4
97.06519	0.4
99.08077	0.5
103.05447	1.8
105.04491	0.3
105.07036	8.2
107.04960	1.9
107.07875	0.5
107.08607	8.3
109.06520	0.4
109.09473	0.5
109.10168	6.9
115.05450	3.5
115.97184	0.3
116.06226	1.0
117.07019	2.5
119.04955	5.6
119.08575	4.0
121.06516	21.6
121.10150	2.7
122.10934	2.9
123.08073	0.3
128.06238	4.9
129.07011	11.2
130.07819	0.7
131.04938	1.1
131.08559	3.1
132.05707	0.3
133.06500	23.4
133.10112	1.7
135.08073	4.4
137.05972	2.2
141.06998	4.0
142.07794	9.2
142.08765	0.2
143.04869	0.3
143.08568	7.3
144.05704	6.1
145.06493	6.1
145.10147	2.4
146.07256	0.3
147.08055	20.7
149.09543	0.5
152.06215	2.2
152.11690	0.3
152.86342	0.3
153.05942	0.3
153.07008	1.8
154.07729	0.5
155.06046	0.5
155.08563	12.6
156.09320	1.5
156.66689	0.3
157.06503	9.0
157.10133	6.4
158.07286	8.5
159.08069	7.8
159.11656	0.8
161.09647	3.9
165.07013	3.2
166.07776	2.3
167.08565	3.4
168.09383	0.7
169.06526	2.3
169.07747	0.5
169.10146	2.5
170.07289	7.4
171.08058	12.3
171.11690	2.2
172.08855	3.8
173.09645	10.4
179.08505	1.9
180.09344	0.6
181.10106	4.1
183.08076	2.7
183.11636	2.2
184.08893	3.1
185.09628	51.5
186.10355	1.0
193.10146	3.1
194.10890	0.9
195.11719	1.0
197.09653	1.7
197.13316	0.5
198.10341	2.3
199.11197	16.7
201.53792	0.4
208.12479	2.2
211.11197	1.3
211.14687	0.5
212.12083	1.4
213.12808	2.0
213.16486	0.4
223.14845	7.3
226.13516	1.3
241.15887	100.0
242.16260	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.159
Annotation	Dehydrofalcarinone
Peak:m/z	Relative Intensity
53.03941	2.7
55.01868	3.7
55.05502	4.3
57.03439	1.1
57.07068	4.2
65.03932	1.4
67.05512	9.7
69.03435	1.8
69.07078	11.0
71.04998	2.6
79.05501	11.2
81.07072	12.1
83.08620	3.2
85.06557	1.1
91.05489	24.1
93.07058	15.7
95.04974	1.9
95.08627	10.0
97.06510	2.0
97.10191	1.6
98.97572	1.5
102.04636	1.0
103.05489	2.2
105.07038	14.2
107.04964	3.5
107.08605	21.2
109.06532	3.2
109.10176	17.8
109.38469	1.0
111.08044	1.2
113.09644	2.0
115.05466	3.9
117.07015	6.4
119.04256	1.1
119.04977	7.8
119.08581	7.1
121.06521	72.8
121.10144	14.0
122.10951	9.1
127.07615	2.1
128.06241	7.5
129.07022	16.1
131.08603	5.2
133.06517	24.9
133.10147	4.5
135.08076	8.3
137.05989	2.2
141.07001	7.9
142.07816	15.1
143.08577	15.6
144.05725	7.9
145.06516	8.5
145.10120	2.4
147.08069	19.0
152.06169	3.3
153.06960	2.3
155.08565	16.2
156.09355	2.5
157.06549	13.8
157.10139	11.1
158.07286	20.8
159.08058	10.3
161.09659	7.4
164.03491	1.3
165.06990	6.3
166.07809	5.6
167.08632	5.6
169.06543	3.5
169.10150	3.4
170.07269	13.2
171.08078	20.8
171.11716	4.3
172.08833	3.9
173.09648	10.1
179.08594	4.0
180.09407	1.6
181.10123	7.4
182.04514	3.9
183.08102	3.0
183.11736	3.5
184.08846	7.3
185.09639	80.5
186.10342	1.5
193.10094	6.9
194.10944	3.9
195.11621	1.3
197.09634	1.8
197.13255	1.1
198.10434	7.0
199.11217	28.6
208.12462	5.6
211.11194	1.1
212.12071	1.8
213.12756	3.5
223.07079	1.2
223.14880	21.6
226.13513	1.6
241.11967	5.6
241.15915	100.0
241.23589	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	241.1548
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
52.85168	0.2
56.56741	0.2
57.03064	0.2
58.06605	15.3
60.00333	0.2
64.76922	0.2
67.43331	0.2
70.06593	2.8
70.95309	0.4
71.06519	0.2
74.30693	0.2
77.57247	0.2
81.03398	0.5
84.07641	0.5
84.08149	8.9
98.06071	0.4
98.09703	1.2
98.97586	0.8
100.11215	0.3
114.05537	0.4
116.07087	0.7
116.10743	0.3
116.98631	0.2
117.40105	0.2
126.05515	0.3
126.09132	0.3
128.10721	3.5
144.10190	1.5
168.10196	0.9
196.09709	4.8
213.16048	0.6
227.23276	0.3
237.03099	0.2
241.15488	100.0
242.15791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
53.28836	0.4
55.01860	1.9
55.05493	1.3
57.07072	1.2
65.03920	0.7
65.77079	0.5
67.05513	3.9
69.03420	0.7
69.06758	0.4
69.07073	3.8
71.04986	0.5
71.43888	0.5
79.05499	3.5
81.07060	5.9
83.08622	0.7
85.06498	0.5
91.05481	9.4
92.06984	0.4
92.36238	0.5
93.07062	4.9
95.04965	1.0
95.08611	3.7
99.08120	0.5
103.05455	1.3
105.07035	9.0
107.04960	1.5
107.08596	6.3
109.10188	4.9
115.05463	1.9
117.07006	2.4
119.04958	5.3
119.08581	3.2
121.06512	19.9
121.07394	1.0
121.10153	3.2
122.10948	2.9
128.06244	4.1
129.07011	8.8
131.08566	2.0
133.06502	21.6
133.10118	2.4
135.08067	7.1
137.05956	1.6
141.06999	3.8
142.07790	6.3
143.08578	6.5
144.05707	3.9
145.06490	2.8
145.10152	1.0
145.49623	0.6
147.08052	8.9
152.06209	1.1
153.07004	1.3
154.07742	0.6
155.08580	8.1
156.09341	1.8
157.06499	6.0
157.10138	5.1
158.07292	7.4
159.08101	4.4
161.09639	5.5
165.07027	3.1
166.07767	2.4
167.08557	3.2
169.06549	1.9
169.10147	2.0
170.07281	5.9
171.08080	10.6
171.11690	1.8
172.08852	3.3
173.09654	3.1
179.08578	1.7
180.09343	1.0
181.10118	5.4
183.08083	2.5
183.11700	2.6
184.08830	4.1
185.09633	39.7
186.10393	1.0
193.10149	4.3
194.10944	1.2
195.11728	0.7
197.09644	1.2
197.13187	0.7
198.10431	4.4
199.11200	19.8
208.12477	4.1
211.11153	0.6
211.14845	1.0
212.12022	1.3
213.12715	1.2
223.14813	12.2
226.13455	1.1
241.15891	100.0
242.16173	0.9
260.85089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
50.98159	0.7
51.87217	0.6
53.03967	1.3
53.75800	0.7
55.05519	1.7
57.03432	0.9
58.06630	0.6
63.72628	0.7
65.03947	0.7
65.87626	0.7
66.62721	0.6
67.05513	3.0
69.03437	1.9
69.07072	2.6
69.94250	2.8
71.05000	4.1
73.02898	1.7
79.05492	4.8
81.03428	5.1
81.07059	5.5
83.08642	0.7
84.27471	0.7
85.02921	2.2
85.06545	1.4
91.05484	6.3
93.07042	7.3
95.04974	3.8
95.08615	12.1
97.06548	1.3
98.97586	1.9
99.04441	6.8
100.11259	3.3
103.05491	0.9
105.07037	15.0
107.08599	10.3
109.06538	3.8
109.10140	1.6
113.09661	1.5
117.07027	3.2
119.08585	100.0
121.02874	3.3
121.06496	3.9
121.10138	7.5
123.08070	9.9
125.05979	2.1
125.09605	0.8
131.08578	6.1
132.96144	0.6
133.10141	3.8
134.18102	0.7
135.08034	1.8
135.11694	5.6
137.09613	2.9
141.09094	1.3
143.08499	0.9
144.09329	3.3
145.04996	0.9
145.10126	3.5
147.08078	1.2
149.05986	5.4
149.09589	0.7
149.13246	2.9
153.05496	1.4
157.10095	1.5
159.11697	68.5
160.99152	0.7
161.13252	11.3
163.07515	1.5
163.11156	3.9
165.09108	4.5
167.07050	8.2
171.22180	0.7
177.03101	1.0
177.12747	22.0
179.00154	1.1
179.14154	0.9
181.04953	0.8
181.08614	0.9
185.16510	1.5
186.03662	1.2
186.05280	0.7
187.11177	2.9
194.12987	0.7
195.13788	6.9
197.01237	1.4
205.12239	19.9
209.01134	1.9
219.01698	0.7
220.02849	0.8
223.13300	18.0
227.02240	4.2
237.13261	0.6
241.14325	33.2
245.55350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1071
Annotation	CMPF
Peak:m/z	Relative Intensity
53.03930	1.8
55.01868	3.3
55.05498	2.8
57.03426	5.2
67.05492	2.6
68.56649	1.7
69.03428	10.9
70.90717	3.0
70.91055	2.5
71.01327	1.9
71.04992	47.5
79.05492	10.2
81.07036	2.2
83.04961	6.4
85.02879	5.3
91.05453	5.1
93.07034	6.7
95.01328	2.5
105.07028	3.1
107.04966	8.8
107.08574	11.6
108.43119	1.6
109.02917	7.7
109.06519	3.0
109.53360	1.5
111.04453	19.7
111.08080	2.4
113.02358	4.2
117.07004	6.2
121.06544	4.1
121.10113	3.4
125.05997	4.2
128.88979	1.8
131.08617	8.6
133.10226	1.6
135.04404	5.4
135.08044	20.7
139.03906	11.0
145.06502	4.2
149.09618	11.6
153.05464	14.2
153.09044	7.4
159.08081	12.0
163.07539	22.9
169.05014	2.0
171.06548	2.3
177.09114	23.9
181.08601	100.0
187.07582	1.8
195.10185	10.6
199.06009	4.4
205.08646	9.5
209.29820	1.5
217.57854	1.5
223.09660	65.5
241.10707	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1073
Annotation	CMPF
Peak:m/z	Relative Intensity
55.01877	2.0
55.05502	1.9
57.03441	6.1
67.05495	3.6
68.99249	1.2
69.03431	10.5
69.07063	1.5
70.40092	1.4
70.40414	2.7
71.05001	48.6
79.05512	9.0
81.07065	3.0
81.48960	1.1
83.04990	7.8
85.02917	6.3
91.05495	6.3
93.03400	1.2
93.07064	8.8
95.01350	2.3
95.04973	2.9
97.02904	1.6
97.06567	1.3
98.21447	1.5
101.57426	1.2
105.07035	3.5
107.04970	11.7
107.08076	1.0
107.08619	10.3
109.02905	8.1
109.06530	3.4
111.03721	1.5
111.04456	23.7
111.08125	1.3
113.02364	4.2
115.05463	1.2
117.07047	7.9
121.06526	8.3
121.10136	3.3
123.04420	3.5
125.05961	3.0
125.09672	1.7
131.08557	7.4
133.06514	1.8
133.10078	1.4
135.04408	4.9
135.08072	20.6
137.06009	3.3
137.09605	1.6
139.03899	10.6
139.07582	1.7
144.05675	1.3
144.68353	1.2
145.06517	5.8
149.09636	15.1
153.05492	11.7
153.09108	7.4
155.03365	1.5
159.08069	10.0
163.03929	1.5
163.07567	28.1
169.04970	2.6
171.06551	2.5
177.09106	22.8
181.08618	100.0
187.07639	1.8
195.10176	10.4
199.06029	2.8
205.08615	11.7
223.09685	79.9
241.05098	1.4
241.10727	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	241.05
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20438	0.7
55.25898	0.9
56.96561	4.9
58.06606	16.5
60.97864	0.8
62.81014	0.7
69.03438	1.2
70.06592	7.6
70.07201	1.8
72.08155	1.4
73.02906	1.5
76.66581	0.8
77.88067	0.7
79.05484	0.8
84.04510	1.5
84.08157	10.4
85.02910	2.8
91.05479	1.0
95.06066	1.0
95.93272	0.7
96.62450	0.7
97.02897	3.0
98.09663	0.9
98.97599	45.7
110.97609	0.8
114.79919	0.8
116.07090	3.1
116.98640	16.6
119.04945	0.9
120.08128	2.1
128.10701	3.6
129.10246	1.0
130.08614	1.1
134.99667	2.8
137.06573	0.9
140.00209	3.8
147.04413	0.9
153.98784	0.7
154.03873	2.3
155.01897	0.8
156.39107	0.9
158.01309	4.5
158.99704	3.7
168.10170	1.3
174.64560	0.9
177.00734	9.2
181.05029	0.8
195.01808	2.6
196.09727	4.7
200.02322	0.9
208.55132	2.3
217.55666	1.4
218.03418	1.8
219.01907	0.9
237.02884	0.9
241.15498	100.0
257.82428	0.8
258.99835	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01640	0.5
55.01880	6.8
55.05276	0.3
55.05517	4.2
57.07080	8.2
67.05515	0.6
69.03445	0.6
69.07071	5.7
70.57556	1.1
71.08628	1.1
72.04523	21.4
72.08141	0.7
74.09718	1.3
79.05500	0.8
81.07051	1.3
82.06557	0.4
83.08625	5.5
86.06067	0.6
93.07042	1.0
95.08589	0.4
97.06532	0.8
97.10181	1.3
98.05056	0.3
98.09721	0.4
100.07626	0.3
107.08576	0.6
111.08059	0.6
111.25990	0.3
128.10706	0.8
153.12677	0.4
167.14349	1.6
167.15640	0.3
170.15364	0.6
179.32237	0.3
182.78838	0.3
184.16985	24.4
240.23239	100.0
241.23537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45052	0.3
55.05279	0.6
55.05518	7.4
57.07082	18.1
58.06581	1.4
58.06842	0.4
67.05496	0.9
69.03444	2.3
69.07076	7.8
69.92589	0.3
70.06595	0.5
71.08624	1.7
71.52911	0.6
72.08151	0.5
74.09718	0.5
81.07074	0.8
83.04990	0.7
83.08629	7.2
85.10175	0.8
86.06075	4.3
93.07024	0.5
95.08603	0.6
96.40842	0.4
97.06524	0.6
97.10167	3.9
98.09686	0.7
100.07609	1.6
111.11757	0.4
114.09167	0.7
123.11730	0.4
126.97238	0.4
128.14384	0.7
143.01561	0.4
154.43663	0.3
156.17513	0.7
158.10262	0.4
167.14334	6.3
169.06555	0.5
184.16989	15.2
200.16953	0.3
213.70506	0.4
240.23241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.05516	8.6
56.05017	0.5
57.07077	17.4
57.87384	0.5
58.06590	1.1
67.05180	0.7
67.05508	5.2
69.03429	1.0
69.07075	6.0
70.06596	4.9
72.08172	2.5
74.06084	2.8
74.09714	1.8
79.05502	3.5
81.06590	1.0
81.07059	17.6
83.04991	2.6
83.08611	0.9
84.08118	0.6
85.06528	2.7
91.05476	2.1
92.05803	0.6
93.07049	10.7
95.04991	0.9
95.08608	5.3
97.02875	0.6
97.06526	0.6
97.10159	0.8
98.06060	51.2
98.09676	1.0
98.97585	0.9
99.06872	0.8
104.10722	0.7
105.03412	2.8
105.07038	1.5
107.08614	1.6
109.10160	7.2
110.06039	0.9
111.11708	1.8
112.07574	0.8
116.98629	0.6
119.08502	0.8
121.06545	0.7
121.10148	5.7
121.62299	0.5
123.11713	19.4
125.98661	0.5
126.12804	3.7
130.12276	1.3
131.08539	1.1
135.11696	0.7
137.09618	3.7
139.11172	0.9
140.10698	2.0
140.14226	0.6
142.12303	0.7
149.09627	2.9
154.12277	27.8
166.12300	0.9
167.10661	0.7
168.13847	0.9
194.19112	1.0
210.18544	100.0
222.18507	4.8
240.09303	0.8
240.17650	0.5
240.19608	11.8
240.23297	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
62.06075	0.4
67.05486	0.7
69.03397	0.3
69.07062	0.5
70.06569	0.8
71.52396	0.3
72.04507	0.9
74.06063	0.8
79.05487	1.2
80.05003	0.3
81.07075	1.8
82.06552	0.6
84.08106	0.3
85.02867	0.2
91.05480	0.6
93.07043	1.4
94.06549	0.6
95.08612	1.7
96.08099	0.5
98.97604	1.2
99.04414	0.3
100.07592	0.3
105.07014	0.5
105.29984	0.2
107.08585	1.3
108.08093	1.6
109.06557	0.3
109.08879	0.3
109.10135	0.7
110.97536	0.3
112.07591	0.5
114.09132	0.4
116.98566	0.3
119.08576	0.6
121.10172	0.4
122.09682	1.3
123.10389	0.5
123.18253	0.3
124.07587	4.0
126.09096	0.6
128.10706	0.4
133.10114	0.6
135.10492	0.2
135.11697	1.0
136.11203	2.0
137.13223	0.5
138.09135	0.8
139.09923	0.7
140.10632	0.7
142.08508	0.3
142.12231	1.3
150.12756	1.8
151.13599	1.3
152.07079	0.6
152.10713	1.8
152.14339	0.5
153.11481	0.6
154.12248	1.6
158.99654	0.4
161.09601	0.3
166.12257	3.7
167.13063	2.1
168.13818	0.7
178.15845	0.7
194.15427	2.3
194.88672	0.3
196.16971	100.0
197.17433	0.3
198.07664	0.3
198.18568	1.6
208.06822	1.0
222.18578	0.3
240.16095	4.7
240.19588	62.6
241.19913	0.5
257.16272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.55792	4.7
71.52383	5.9
81.03437	6.8
96.61512	5.4
127.27672	4.6
138.22083	5.0
138.96420	26.4
141.05521	13.5
156.97498	100.0
174.98517	42.2
198.98538	61.4
216.99626	97.9
240.10869	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03754	5.3
56.10073	4.9
59.58363	5.2
69.63026	11.1
69.63456	23.9
69.98256	5.6
70.83517	5.4
80.27974	4.8
81.03416	12.1
81.43324	6.1
82.31625	5.6
85.30988	5.3
90.83286	5.8
91.54714	5.4
93.25227	5.2
98.20890	12.5
112.89626	24.5
130.62575	5.3
138.96394	14.3
140.27164	5.0
141.05450	8.8
149.26164	4.9
156.97478	82.8
165.98767	9.5
174.98515	48.2
179.99196	5.2
196.44766	5.1
198.98572	55.8
199.00497	7.3
216.08838	5.7
216.97733	9.8
216.99629	100.0
221.97481	6.2
240.10928	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	240.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
56.86187	0.8
56.96567	1.1
58.06598	1.9
70.06611	1.2
70.28391	1.0
71.52523	1.1
71.52944	1.0
72.08143	2.0
79.05499	4.4
84.08125	1.7
86.09683	1.1
91.05476	2.7
95.04944	0.9
95.08604	1.4
103.05465	3.4
105.03400	1.3
105.07054	9.2
107.04958	1.6
109.02844	1.1
118.04152	1.8
119.04931	1.8
120.05741	1.7
121.06484	4.2
124.07453	1.1
132.05707	1.2
133.05650	1.2
133.06503	6.8
134.07280	4.1
135.04402	2.4
135.08037	2.7
137.15672	1.1
138.06706	1.2
146.68903	0.9
147.06790	1.0
148.05154	3.1
148.07518	1.1
149.05960	2.5
150.06767	25.2
151.07571	2.5
153.09053	1.2
163.03879	5.2
163.07561	38.4
163.09889	2.7
164.04318	1.2
165.09132	74.8
179.07016	3.2
179.09435	1.1
181.08614	2.9
188.07133	1.2
191.07043	61.5
193.08618	1.1
194.11815	4.7
195.06403	1.1
204.10188	9.0
206.08090	1.3
209.08109	89.7
222.11264	100.0
240.12320	54.9
240.19498	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.04868	2.9
54.67574	3.1
55.05262	4.7
55.05515	37.4
56.96584	5.4
57.07079	16.5
59.05006	19.4
61.30686	2.6
67.05509	25.2
69.07073	40.7
71.04994	17.8
71.08642	4.0
71.52666	3.2
71.53047	3.5
73.06548	3.7
79.05499	11.1
81.07066	72.4
83.04960	5.8
83.08624	27.4
83.15949	3.1
85.02898	4.7
85.06557	9.9
87.09628	2.7
89.06042	8.5
91.05485	10.8
93.07050	27.4
95.04962	6.2
95.08620	100.0
97.06520	15.3
97.10184	16.5
98.97614	3.8
99.08080	9.1
105.03388	7.6
105.07032	21.6
107.08591	46.0
109.06516	7.7
109.10168	61.4
111.08097	12.0
111.11730	18.5
113.09639	4.1
115.07565	3.2
119.08591	37.1
121.10147	37.5
123.08086	8.5
123.11732	38.0
125.09614	14.9
132.80699	3.1
133.08653	3.4
133.10129	31.8
135.08022	3.1
135.11707	45.0
137.09601	6.8
137.13266	68.5
139.11205	21.2
143.10712	10.8
145.10130	6.4
147.04445	6.9
147.11699	29.1
149.13260	15.1
151.11206	12.9
151.14896	3.9
153.12779	3.1
157.12245	5.9
159.11707	4.4
161.13278	13.9
163.07532	3.0
163.11136	6.6
163.14818	29.9
163.25284	3.7
165.12822	6.1
169.10165	2.8
169.12204	3.7
175.14816	7.1
177.16415	6.4
193.19597	8.8
197.13316	3.3
203.17981	58.8
219.44655	3.1
221.15494	4.4
221.19046	57.4
239.06853	5.1
239.08910	35.3
239.10902	10.2
239.18042	4.7
239.20076	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	239.2008
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05516	27.9
57.03444	5.0
57.07076	20.7
59.05009	17.8
67.05517	27.8
69.03427	5.1
69.06729	3.7
69.07074	45.9
71.04993	18.3
71.08601	2.7
72.08166	3.0
79.05503	21.7
81.07066	100.0
83.04992	7.7
83.08625	21.6
84.61591	3.0
85.02909	5.1
85.06548	13.6
89.06055	7.4
91.05476	12.8
93.07047	35.6
94.93457	2.4
95.04990	3.2
95.08616	89.1
97.02930	2.7
97.06551	12.5
97.10200	14.1
97.10752	3.3
99.08099	9.2
105.03420	5.2
105.07045	24.9
107.08606	54.2
109.06512	5.7
109.10172	55.2
111.08082	7.5
111.11729	23.3
113.09633	3.4
115.07591	5.1
115.38332	2.4
119.08590	36.3
121.10152	29.7
123.08098	9.4
123.11716	39.1
125.09640	12.1
127.11185	6.0
133.06557	3.4
133.10129	29.2
135.08052	2.7
135.11703	56.5
137.06006	3.7
137.09628	10.0
137.13271	51.4
139.11214	11.9
141.12764	4.1
143.10704	8.6
145.10130	3.1
147.11707	29.2
149.13280	19.2
151.11223	8.3
151.14757	3.6
153.12776	9.7
157.10072	2.7
161.09695	2.8
161.13319	16.0
163.14844	22.4
165.12787	5.6
167.07124	3.0
167.14243	2.7
169.10152	2.8
175.11118	2.9
175.14905	4.3
177.16423	9.8
179.10687	2.6
203.17972	57.3
211.07631	5.2
221.11714	5.7
221.15555	4.9
221.19020	69.2
221.21069	4.4
239.06900	5.1
239.08951	20.2
239.10667	2.8
239.18024	6.5
239.20073	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.47361	2.7
55.05516	22.9
57.07084	17.1
59.04996	10.0
61.76541	2.9
67.05510	23.1
69.07075	54.3
69.92422	7.1
69.92828	11.4
71.05002	27.2
73.06544	3.6
79.05508	17.8
81.07064	100.0
83.04979	6.3
83.08624	22.7
85.02906	10.8
85.06562	9.7
87.04445	3.4
89.06032	5.6
91.05482	10.4
91.38058	3.2
93.07058	65.4
95.04968	3.2
95.08618	87.5
97.06536	11.4
97.10181	16.2
97.17442	3.0
99.08096	9.4
105.07053	23.7
107.08606	79.9
109.06547	5.5
109.10167	43.8
111.08093	16.2
111.11732	35.6
113.09632	4.9
119.08599	41.9
121.10148	26.4
123.08091	6.2
123.11708	31.2
125.09638	14.4
125.13233	5.8
127.11210	10.9
129.09111	3.9
133.10139	30.1
135.11700	93.2
137.09660	5.6
137.13290	21.0
139.11208	6.4
141.12766	3.2
143.10718	3.2
145.64041	2.9
147.11722	26.2
149.13266	29.1
151.11209	3.8
153.12776	28.8
161.13304	14.9
163.14880	16.1
165.12808	4.2
167.14328	5.4
169.10132	3.6
175.14638	3.3
177.16423	8.8
193.19501	7.4
197.13286	3.7
203.10680	3.5
203.17975	74.9
221.11784	6.0
221.19014	76.0
239.06949	5.8
239.08900	28.8
239.18030	5.9
239.20076	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.08564	2.8
53.03945	3.2
55.05519	36.2
57.07080	17.0
59.05011	29.2
67.05506	23.2
69.07078	43.9
69.15746	27.8
69.16150	6.3
71.04982	5.4
71.08618	7.4
74.43455	2.4
79.05493	13.3
81.07064	85.2
83.08620	25.9
85.06560	6.1
85.07115	2.5
86.09707	6.1
87.04490	4.7
89.06021	3.7
91.05477	8.3
93.07054	27.1
95.08617	100.0
97.06538	13.7
97.10181	23.8
99.08116	5.7
104.92491	3.5
105.03432	3.6
105.07040	23.7
107.08611	37.9
109.06497	4.1
109.09479	4.0
109.10169	48.0
111.08083	11.8
111.11728	19.7
115.07619	7.4
119.08595	31.0
121.10163	31.3
121.10966	4.3
121.12061	3.0
123.08061	5.3
123.11723	38.5
125.09684	13.4
127.11235	5.4
133.10132	29.2
135.11710	48.4
137.09595	2.7
137.13274	81.6
139.11197	24.6
140.10614	2.6
143.10669	11.9
147.11717	30.2
149.13309	13.9
151.11162	13.9
153.12737	10.0
157.12250	5.3
161.13293	12.8
163.14856	37.2
165.12775	13.2
175.14876	6.6
177.16396	8.7
193.19452	12.9
203.17978	70.2
221.15619	3.9
221.19029	80.9
239.06941	2.9
239.08977	12.1
239.14503	3.4
239.17854	4.6
239.20102	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.53648	3.1
55.05520	34.0
57.03438	3.7
57.07083	25.6
59.05004	31.3
67.05519	22.8
69.07078	58.5
70.06980	15.8
71.04980	6.6
71.08610	4.4
79.05480	7.9
79.54481	2.9
81.07065	85.8
83.08631	24.8
83.86816	3.5
85.06532	9.6
87.04420	4.4
89.06053	4.7
91.05482	7.1
93.07043	29.9
95.08617	100.0
97.06536	8.7
97.10198	24.2
99.08102	4.6
103.65266	3.1
105.07044	16.7
107.08600	47.6
109.06518	6.3
109.10164	52.6
111.08089	7.3
111.11728	19.9
119.08580	26.6
121.10153	26.2
123.08063	8.2
123.11719	43.2
125.09622	17.2
127.11199	3.6
133.10114	32.9
135.11697	51.2
137.13260	85.7
139.11179	30.7
143.10677	12.6
147.11691	31.1
149.13278	16.1
150.65427	3.7
151.11174	13.6
153.12723	4.4
157.12230	6.5
161.13266	12.9
163.14851	34.4
165.09096	6.3
175.14845	8.9
177.16359	8.4
193.19592	6.7
203.17969	63.5
221.19017	91.5
239.08937	7.5
239.20099	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.83213	4.5
55.05509	26.4
56.96560	9.0
57.07078	15.9
58.06591	6.0
62.78161	4.1
64.96744	3.4
67.05505	38.3
69.07072	31.1
69.92554	21.8
71.04996	30.8
71.08624	5.3
79.05509	19.0
81.07056	70.0
83.04984	7.0
83.08620	22.8
85.06543	30.3
89.06043	27.4
91.05486	21.1
93.07057	48.2
95.05016	5.1
95.07701	4.3
95.08610	96.1
97.06545	13.1
97.10186	12.8
99.08099	10.8
104.40026	4.2
105.03381	6.4
105.07036	36.7
107.08604	66.3
109.10168	63.2
111.08092	15.3
113.09627	8.2
119.08595	43.6
121.10154	88.1
123.08103	7.0
123.11723	34.2
125.09644	5.9
133.08612	11.8
133.10126	30.6
135.11719	30.2
137.13260	34.1
139.11116	5.1
145.10213	4.5
147.11713	47.2
151.11209	7.0
151.14786	7.6
161.13275	23.4
163.14807	28.9
165.12769	16.4
174.90062	4.5
175.14862	25.0
177.16397	25.6
179.14201	6.2
181.15895	11.6
192.91129	12.4
198.18622	5.2
203.17937	46.2
210.92221	9.8
211.12297	16.2
221.18988	100.0
233.93712	4.8
239.08841	59.4
239.10632	5.3
239.14517	10.2
239.18011	9.3
239.20139	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	239.1645
Annotation	Dihydrocuspidiol
Peak:m/z	Relative Intensity
52.63921	0.6
53.00312	0.7
57.07079	1.8
58.06608	1.3
66.92670	0.7
67.05513	2.1
69.07076	100.0
69.70557	4.3
71.05008	1.3
78.89493	0.6
79.05483	0.7
81.07047	3.3
81.50227	0.7
87.08115	45.3
89.06055	1.7
91.05512	1.9
91.79479	0.7
93.07028	0.9
95.05003	0.9
95.08627	1.7
101.51539	0.8
105.03428	0.9
105.07056	1.0
107.04967	18.7
107.08611	1.3
109.10175	1.6
119.04945	1.1
119.08549	1.6
120.64187	0.7
121.06580	0.8
123.11760	0.7
133.06523	0.8
133.10123	1.1
135.08076	6.4
147.08093	1.1
161.09662	0.8
165.07094	1.0
165.09210	0.7
175.11267	2.6
177.08853	0.9
203.14349	0.8
211.07605	1.9
217.36903	0.7
221.15408	1.6
221.18947	0.7
239.07024	2.7
239.08974	7.2
239.14461	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1643
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
55.05513	1.8
57.07073	1.4
65.93337	0.2
67.05508	2.8
68.05576	0.2
69.03448	0.2
69.07065	1.7
70.23544	0.8
71.08639	0.4
79.05494	0.6
81.07065	2.2
83.01349	1.4
83.08591	0.6
85.02878	0.2
85.06535	0.3
89.06024	0.3
91.05489	0.5
93.07045	0.6
95.04962	0.7
95.08615	5.1
97.06547	0.3
97.10155	0.4
101.02393	0.4
103.90326	0.2
104.53072	0.2
105.07003	0.6
107.05009	0.2
107.08566	0.4
109.06516	0.9
109.10172	3.2
111.04456	0.3
113.05984	0.7
119.08608	0.9
121.10136	0.2
122.07294	0.6
123.08061	2.3
123.11728	1.0
125.06011	1.6
125.09615	0.4
132.92224	0.2
133.10112	0.5
137.09589	0.7
137.13234	0.3
140.08340	2.1
141.05499	0.5
151.07515	0.8
153.05428	0.3
165.09138	0.5
165.16386	0.5
167.07068	2.2
168.07831	10.8
176.65382	0.2
193.15897	0.3
211.16968	0.4
239.16432	100.0
240.16660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1644
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
53.03914	0.2
55.01865	0.1
55.05514	1.9
57.03425	0.2
57.07078	1.2
57.17452	0.1
59.05002	0.1
65.03900	0.2
67.05514	2.2
69.03404	0.2
69.06731	0.2
69.07073	2.8
69.55859	0.1
70.32977	0.5
71.04988	0.5
71.08646	0.9
79.05503	0.9
80.06264	0.2
81.07059	3.8
83.01352	2.8
83.04955	0.1
83.08615	0.6
83.78979	0.1
85.02901	0.4
85.06523	0.1
89.06003	0.2
91.05465	0.6
93.07038	0.5
95.04987	0.7
95.08617	2.4
95.92599	0.1
97.06511	0.3
97.10149	0.2
97.37414	0.1
99.04434	0.7
101.02362	0.8
105.07026	0.5
107.08578	0.4
108.05782	0.3
109.06525	1.9
109.10168	1.3
111.04414	0.6
111.08151	0.2
113.02406	0.1
119.08572	0.5
121.10163	0.3
123.08069	0.5
123.11707	0.4
125.02325	0.2
125.05998	0.3
126.06779	0.4
127.03944	1.0
133.06473	0.2
133.10115	0.3
137.05949	0.5
137.09564	0.2
137.13216	0.2
138.06877	0.1
139.03960	0.3
140.04713	0.2
141.05449	0.3
147.08067	0.2
151.07571	0.7
153.05472	3.9
154.06261	12.5
155.07034	0.3
160.57443	0.1
165.09114	0.2
192.91161	0.2
193.15971	0.1
211.16997	0.3
239.16434	100.0
240.16742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0916
Annotation	Sinapic acid methyl ester
Peak:m/z	Relative Intensity
52.65455	0.7
53.03945	0.9
55.01860	1.9
55.05487	1.2
57.07048	1.3
58.06588	0.8
58.51418	0.8
58.66521	0.8
64.06973	0.7
67.05475	2.8
69.07069	1.4
71.04972	0.9
71.08630	1.0
71.53710	1.1
79.05479	3.6
81.07051	5.0
83.08597	1.4
84.96011	0.9
89.06053	5.5
91.05477	7.6
93.07038	1.5
95.04946	1.3
95.08586	3.3
103.05462	3.1
105.03367	1.1
105.06390	1.3
105.07040	15.3
107.04939	2.8
108.05724	3.3
109.06570	4.1
109.10168	1.5
115.05431	3.3
118.04153	1.3
119.04967	2.0
119.08563	2.4
120.05712	3.0
121.06488	3.0
123.08062	3.7
124.05201	1.1
131.04924	1.1
133.06503	11.3
133.08530	1.2
135.04437	4.1
135.08038	1.2
136.05176	2.9
137.05989	8.0
139.07555	1.9
147.04388	1.9
147.08035	3.7
148.05200	15.8
149.06013	5.7
150.06696	1.1
151.07550	48.8
154.06282	1.1
160.05228	1.0
161.06030	6.2
163.07518	1.1
165.05438	3.6
165.09137	1.8
166.64552	0.8
167.07048	9.8
176.04681	11.7
178.06279	0.8
179.07033	22.4
182.05707	1.1
183.90923	0.9
191.07065	1.5
192.91122	1.6
193.08606	13.7
194.04144	1.3
194.05750	13.8
197.08125	6.4
209.08099	100.0
211.07564	1.3
211.09544	1.9
221.07970	2.1
239.09061	45.3
239.16306	1.0
239.21953	0.9
241.00209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03956	3.3
55.01880	0.5
55.05525	0.3
56.96567	0.3
58.29307	0.2
69.07079	0.3
70.02957	0.6
70.06597	0.4
71.24149	0.3
72.08141	0.3
72.62547	0.2
73.02902	0.4
74.02460	1.1
77.03925	0.9
79.05488	0.9
81.03413	0.3
81.07063	0.2
83.93310	0.2
84.08144	0.7
86.09713	0.4
87.04479	0.4
88.03998	7.3
89.03918	0.6
91.05491	0.3
95.04976	3.7
105.03400	100.0
106.03764	0.6
107.04956	0.3
116.03471	2.6
116.71009	0.2
117.03377	0.6
120.08145	0.3
121.06510	0.3
122.06027	0.5
123.04430	2.1
124.99123	1.0
129.10263	0.3
133.06505	0.2
135.04420	0.8
137.06036	0.2
138.05482	0.2
143.00201	1.7
145.02921	0.7
149.05963	0.5
161.01199	0.4
163.03917	5.7
165.09160	0.2
185.01262	0.6
192.06552	1.5
193.08624	1.4
203.02249	0.4
220.06070	2.8
221.11819	0.3
231.01730	0.3
238.07153	1.6
238.10837	0.3
238.14426	1.3
238.18097	0.9
240.22655	0.2
249.02823	0.5
256.82758	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0916
Annotation	Sinapic acid methyl ester
Peak:m/z	Relative Intensity
51.30720	0.5
51.95216	0.5
55.05508	0.8
57.07082	2.5
58.06580	0.8
65.03939	2.0
67.05500	1.6
69.07082	2.7
69.58400	1.0
69.58804	2.9
70.06626	0.5
71.04981	1.1
77.03941	1.0
79.05483	1.1
81.07072	2.7
83.04956	0.5
83.08639	0.7
85.06544	0.6
87.08098	0.8
88.84560	0.4
89.03922	1.2
89.06040	1.9
91.05486	34.3
93.07051	1.4
93.82776	0.4
95.04999	0.9
95.08605	2.1
97.06544	0.4
103.05462	1.1
105.03384	1.2
105.07030	1.7
107.04949	0.9
107.08613	6.0
109.10142	1.4
115.05439	0.9
117.03397	0.5
118.04169	1.6
119.04950	42.2
119.08573	1.3
123.08080	0.5
123.11662	0.8
129.03386	1.3
131.04932	0.7
131.08548	0.5
132.02107	3.1
132.02965	0.6
133.02852	0.7
133.10161	3.0
135.04462	0.7
135.11684	1.4
136.05215	1.2
137.05998	0.8
137.13222	0.4
145.02855	0.9
146.03629	0.8
147.04420	35.7
149.02318	3.3
155.07074	2.3
157.03970	4.9
161.09596	1.6
161.13373	0.5
162.03033	0.6
163.03870	0.7
164.04738	3.1
175.03920	63.7
177.01801	0.9
179.07076	4.1
179.10611	2.9
192.04208	7.5
193.10089	0.5
197.08047	1.2
207.06541	100.0
211.07701	0.5
221.15335	0.6
239.06909	0.5
239.08876	9.2
239.12796	1.1
239.18172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45290	1.7
53.03941	2.4
55.01850	2.1
55.05515	45.4
57.03429	4.5
57.07083	21.0
57.38461	1.4
58.06590	4.7
60.68199	1.5
65.03938	1.4
67.05512	52.5
69.07076	61.2
69.39098	5.3
69.39520	6.5
71.04975	3.4
71.08644	8.5
79.05499	30.0
81.07063	65.7
83.04986	4.4
83.08627	53.3
85.06548	2.4
85.10175	2.2
91.05477	5.0
93.06487	2.4
93.07053	38.0
95.08615	48.5
97.06536	25.1
97.10180	31.6
99.08058	4.1
105.07032	3.0
107.08613	28.3
109.10169	21.9
111.08099	10.4
111.11718	6.0
113.09674	2.5
115.11272	1.7
121.10157	57.1
123.11729	18.3
125.05932	1.6
125.09624	4.7
127.11147	2.5
135.11703	42.2
137.13268	11.5
139.11168	3.4
141.12788	3.0
141.46942	1.6
142.84081	1.5
146.06021	1.5
149.13264	17.4
163.11182	1.6
163.14830	5.9
177.16406	2.7
178.05070	3.4
192.06477	2.3
198.88206	1.5
209.11757	2.3
219.17787	2.1
219.21115	47.3
237.08856	2.1
237.12595	2.6
237.14799	3.2
237.22150	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.2215
Annotation	Bombykal
Peak:m/z	Relative Intensity
53.03928	2.2
55.01862	1.4
55.05515	40.8
57.03426	1.9
57.06826	1.3
57.07081	16.0
58.06591	2.9
59.05000	0.8
65.03942	0.9
67.05509	43.4
69.07073	56.7
69.35220	7.4
71.04974	3.3
71.08634	7.7
79.05499	23.3
81.07064	55.3
83.04971	4.1
83.08626	48.2
85.01437	0.9
85.06546	2.8
85.10180	3.4
85.88898	1.1
87.08073	1.2
91.05473	4.0
93.07049	33.3
95.04966	1.5
95.08618	41.4
97.05937	1.1
97.06543	16.7
97.10179	26.5
98.21473	1.6
99.08100	3.1
101.09654	1.6
103.02469	1.5
105.06985	1.1
107.08601	20.7
109.10164	18.0
111.04439	1.3
111.08086	12.6
111.11745	6.5
113.09668	2.3
115.11208	1.3
121.10155	49.8
123.11716	15.2
125.09663	5.2
125.13267	1.6
127.11189	1.8
133.03490	2.6
135.11707	39.4
137.13266	11.2
139.11159	2.9
141.12785	2.8
146.06010	1.7
149.12196	1.4
149.13274	14.8
150.05569	1.2
151.14793	1.8
153.12782	1.4
163.14880	6.9
167.14267	1.1
177.16386	2.7
178.04936	1.5
209.11752	1.7
219.21092	42.7
222.10590	0.9
237.05115	1.2
237.12561	3.0
237.22141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
52.36079	1.6
53.03947	2.1
55.05272	2.6
55.05517	42.3
56.96553	2.5
57.07078	3.1
58.06589	3.1
59.04990	2.7
65.70766	1.7
67.05511	12.2
69.03432	8.6
69.07074	10.8
71.05003	33.6
79.05485	12.0
81.06587	3.0
81.07066	55.3
83.04990	42.6
83.08643	3.7
84.08150	2.2
85.06548	3.7
90.19003	1.9
91.05502	14.7
93.07052	27.8
95.04974	13.8
95.08621	22.4
97.06541	14.2
98.20732	4.1
98.97587	7.7
99.08102	12.2
103.05455	2.2
105.03371	4.0
105.07036	36.0
107.08597	23.1
108.68201	1.8
109.06521	10.3
109.10168	26.4
110.97606	2.0
111.08083	8.4
116.98631	1.9
117.07013	4.6
119.08573	11.5
121.10159	35.4
123.08062	4.9
123.11732	16.8
125.09631	5.3
125.19627	1.8
127.07546	7.1
127.11177	11.8
131.08621	13.2
133.10144	100.0
135.08020	4.1
135.11696	14.6
137.09650	3.0
139.11186	15.5
145.10147	17.2
147.11723	19.2
149.13266	12.4
151.11192	42.6
153.12723	15.1
155.10709	3.1
159.11707	17.9
161.13222	7.3
163.11208	6.5
175.14784	2.3
177.12773	4.4
177.16397	3.3
191.06978	2.1
191.17958	3.0
192.06493	1.9
193.08466	2.3
194.07263	2.2
201.16405	16.7
209.06007	8.4
219.13786	2.4
219.17445	25.5
228.10161	6.6
237.05511	3.6
237.09030	6.8
237.14822	3.0
237.18524	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1852
Annotation	Sirenin
Peak:m/z	Relative Intensity
51.22559	1.9
53.03960	1.9
54.55852	2.4
55.01869	2.8
55.05519	30.5
56.96577	2.2
57.03442	2.7
57.07080	4.1
58.06598	3.2
59.05013	3.3
65.08540	2.1
67.05515	12.4
69.03435	8.0
69.07067	16.1
69.26753	8.1
69.27184	9.2
71.04998	37.2
73.06570	2.5
79.05509	15.5
81.07063	60.8
83.04982	36.1
83.08640	6.6
84.08183	2.4
85.06538	4.3
91.05487	12.8
93.07053	28.9
95.04966	18.4
95.08624	20.0
97.06561	14.0
97.10180	3.2
98.20699	4.1
98.97581	10.4
99.08104	16.0
105.07035	39.3
107.08597	31.7
109.06542	9.3
109.10165	37.5
111.08105	5.9
113.09648	4.6
114.84587	2.0
116.98627	2.3
117.07034	4.8
119.08611	13.3
121.06629	2.1
121.10165	29.2
123.08078	5.9
123.11717	14.1
125.09652	6.1
127.07577	9.1
127.11200	16.6
131.08609	14.3
133.10144	100.0
135.08086	4.3
135.11711	17.1
137.09656	3.0
139.11188	13.2
143.10704	3.0
145.10147	21.0
147.11693	14.6
149.02356	3.5
149.09665	3.1
149.13255	12.6
151.11197	41.8
153.12740	11.2
155.10664	4.8
156.08089	2.3
158.99756	3.0
159.11699	18.2
161.13298	7.2
163.11189	5.0
163.83772	1.9
165.12709	4.0
169.12231	2.5
173.13339	3.1
175.14816	2.4
177.00784	2.9
177.12720	4.0
177.16368	2.9
178.87267	1.9
181.12346	2.3
189.09128	4.4
193.04993	3.0
194.07272	7.5
201.16479	15.3
219.10173	8.6
219.13878	2.4
219.17444	24.5
222.06853	3.8
228.10135	3.7
237.05490	2.7
237.09221	23.1
237.18539	35.5
237.22229	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	237.1849
Annotation	(-)-Tremediol
Peak:m/z	Relative Intensity
53.03952	3.4
55.01867	2.2
55.05518	11.1
56.96571	3.1
57.03419	3.0
57.07069	2.8
58.06599	8.4
59.04998	7.7
65.76322	1.7
67.05512	21.6
69.03433	9.6
69.07061	12.1
71.04993	33.7
71.53314	2.7
72.08141	2.0
79.05500	20.4
79.69158	2.1
81.03442	2.5
81.07059	68.3
81.07533	4.3
82.13996	1.8
83.04988	7.5
83.08630	6.4
85.06526	9.2
86.96970	2.1
87.08066	1.9
88.39769	1.9
91.05484	34.5
92.05817	2.1
93.07047	85.6
93.07643	4.2
95.04994	10.8
95.08615	47.3
97.06516	3.7
97.10188	4.1
98.97591	11.8
99.08094	16.6
105.07036	93.6
107.04955	11.2
107.08591	38.9
109.02950	2.2
109.06512	12.7
109.10165	28.9
111.04526	2.5
111.08087	6.4
112.42331	1.7
113.06014	2.5
113.09642	2.8
115.05437	3.5
116.98671	2.6
117.07040	10.6
119.08584	27.7
121.06525	6.0
121.10142	21.8
123.04385	2.0
123.08095	5.7
123.11708	19.6
124.03983	2.4
125.09650	9.6
127.07566	5.0
127.11196	20.3
128.06299	1.8
129.07033	5.3
129.64328	2.4
131.04922	6.9
131.08585	21.4
132.05270	2.4
133.10138	100.0
135.08067	2.3
135.11687	13.4
137.09676	4.8
139.11237	5.9
143.10686	4.2
144.05788	2.3
145.06474	4.7
145.10118	26.1
147.04390	2.7
147.08064	2.7
147.11694	18.3
148.04720	2.9
149.06004	7.2
149.09636	3.4
149.13220	9.3
150.06319	12.2
151.07574	2.8
151.11192	55.6
151.12372	3.6
155.10725	4.1
158.99667	4.0
159.08113	8.1
159.11713	13.1
161.13318	9.1
163.07568	5.1
163.11174	3.6
164.07935	2.6
165.06995	4.6
166.07791	2.5
173.13240	18.3
175.14838	3.6
177.00865	2.1
177.05530	2.9
177.12823	2.6
177.16452	3.2
181.10202	2.4
187.07602	4.7
191.08624	6.2
191.14359	4.7
191.18005	7.8
193.06618	2.5
194.07236	9.7
201.12639	2.7
201.16389	25.2
205.06528	4.5
209.09738	7.0
219.08287	3.6
219.10205	11.3
219.13916	6.0
219.17442	57.5
220.14178	8.4
222.06787	20.6
237.09145	41.4
237.11014	3.1
237.16786	5.6
237.18582	74.1
237.22171	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	237.1852
Annotation	[1R-(1R*,4R*,6R*,10S*,12R*)]-4,12-Dimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane-12-methanol
Peak:m/z	Relative Intensity
50.81442	0.3
55.01871	0.5
55.05510	1.0
57.07069	0.4
57.73087	0.3
58.06584	0.7
59.04999	0.4
67.05511	2.1
69.03433	0.4
69.07060	1.6
69.47638	2.2
74.54975	0.3
74.55400	0.4
78.95804	0.3
79.05492	1.4
81.07057	2.7
83.04986	1.2
83.08615	0.7
84.08133	0.7
91.05472	1.3
93.07061	1.9
95.04958	0.4
95.08622	2.1
97.06546	5.6
97.10193	0.5
101.67913	0.4
105.07029	3.0
107.08591	2.1
109.06470	0.5
109.10167	2.4
111.08092	16.9
115.96469	0.4
117.06978	0.5
119.08605	1.9
121.06511	0.9
121.10154	2.2
123.08048	1.0
123.11713	1.5
131.08533	0.9
133.10124	1.2
135.08078	4.3
135.11684	1.6
137.09587	0.6
145.10118	1.5
147.08160	0.4
147.11703	4.6
149.02354	1.2
149.09567	0.7
149.13252	0.7
154.80637	0.4
159.11725	1.8
161.09637	0.9
161.13358	0.5
163.07515	0.6
163.11180	4.6
164.12093	0.4
165.03395	0.5
176.12048	0.8
177.12738	0.9
189.12767	10.4
191.17926	0.4
192.06627	0.5
193.04935	0.9
201.16472	0.6
204.15121	14.8
219.17459	100.0
220.17679	0.6
237.07507	1.4
237.09325	0.7
237.11058	0.6
237.14955	1.8
237.18518	5.1
237.22156	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	237.1851
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03944	2.4
55.01881	2.2
55.05515	11.2
57.03434	1.9
57.07073	5.6
58.06593	1.8
58.08573	1.7
59.04991	5.3
65.03955	2.8
67.05511	19.4
69.03432	13.6
69.07071	11.8
70.42967	3.5
70.43341	2.6
71.04996	28.8
73.06538	2.6
73.87973	1.5
79.05497	22.3
81.07066	100.0
83.04972	3.9
83.08631	3.6
85.06541	4.6
91.05474	13.4
93.07045	20.9
95.04968	7.5
95.08614	22.7
97.06554	9.0
97.10181	4.8
99.07493	2.9
99.08110	47.0
105.07030	28.2
107.08602	26.2
109.06535	13.7
109.10171	32.4
111.08089	4.4
117.07033	2.9
119.08601	11.0
121.06480	3.2
121.10154	17.6
123.08105	4.5
123.11724	9.8
125.09669	8.4
127.07566	20.2
127.11215	25.5
129.06961	2.3
130.45029	1.7
131.08575	10.5
133.10155	53.0
135.11673	9.5
137.09639	2.7
137.13287	2.0
139.11186	4.9
143.10701	6.4
145.10118	11.9
147.11702	10.1
149.09540	2.0
149.13246	7.5
151.11203	37.0
155.10677	10.9
156.13808	2.6
159.08134	3.1
159.11690	10.9
161.13277	6.1
163.11221	2.6
165.12779	4.5
169.12234	4.2
173.12956	1.8
177.05611	1.8
177.12761	2.3
177.16435	3.5
187.07596	4.3
191.17967	2.2
201.16397	4.9
209.06049	5.3
219.10176	5.5
219.17447	16.3
237.05461	2.6
237.09218	2.6
237.11127	2.7
237.14856	3.3
237.18538	18.3
237.22221	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	237.1487
Annotation	Ailanthoidiol
Peak:m/z	Relative Intensity
55.01875	2.4
55.05511	4.7
57.03434	1.8
57.07072	2.0
67.05498	5.4
69.03442	1.0
69.07069	2.9
69.53000	2.4
69.53406	4.2
70.06602	1.3
71.05003	3.3
72.08160	1.1
79.05503	5.4
81.07063	4.3
83.04990	2.5
83.08617	3.1
84.08125	1.4
85.06557	4.1
86.09707	1.7
91.05489	14.7
93.07049	11.2
95.04981	2.8
95.08622	4.1
98.21535	1.4
99.04482	1.4
100.11227	2.1
103.05467	1.1
105.07043	6.4
107.04963	3.0
107.08602	3.8
109.06531	1.7
109.10142	2.1
110.07201	1.4
115.05436	1.6
117.07047	7.0
119.04933	1.6
119.08598	14.4
120.08109	10.2
121.06525	35.5
121.10151	2.1
123.08104	1.3
129.07027	3.2
129.10283	1.9
130.07790	2.5
131.04953	12.1
131.08582	16.8
132.05724	1.2
133.06467	2.6
133.10133	2.1
135.08098	3.7
137.09669	3.0
141.06947	1.4
143.08595	1.9
145.06483	7.6
145.10159	10.5
147.08063	100.0
149.09674	2.5
153.06987	1.2
155.08572	27.1
158.07283	12.0
159.08073	22.7
159.11732	2.2
160.08884	1.3
161.09680	1.5
163.07634	1.7
163.11258	1.1
165.09134	28.6
173.09644	52.3
173.13290	4.5
175.11224	12.6
176.96971	1.5
177.05515	4.7
180.10199	3.3
183.11658	1.6
191.07100	1.2
191.10698	36.2
201.12775	27.5
213.67982	2.6
215.04051	1.4
216.10040	1.2
219.13826	73.2
222.06783	1.4
233.05136	1.7
237.07286	1.4
237.09239	2.6
237.12697	1.4
237.14912	3.0
238.75755	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1488
Annotation	Terrefuranone
Peak:m/z	Relative Intensity
55.01862	2.6
55.05521	4.1
57.03434	1.3
57.07071	2.0
59.04999	2.2
64.65185	0.9
65.03930	1.0
67.05515	9.8
69.03437	6.9
69.07070	5.0
69.45585	2.0
69.45992	5.0
71.04998	14.6
72.12128	1.1
79.05499	8.9
81.07057	20.6
83.04975	3.7
83.08588	1.2
85.02886	1.1
85.06545	5.5
91.05489	18.5
93.07053	15.6
95.04984	4.1
95.08610	7.3
97.06516	2.9
97.10204	1.1
98.02477	0.9
98.20768	1.8
99.08096	6.5
100.61597	0.9
105.07032	12.0
107.04941	2.8
107.08595	9.9
109.06543	6.8
109.10159	9.7
115.05431	1.4
117.07004	5.6
119.04932	1.7
119.07799	1.4
119.08594	16.6
121.05679	1.9
121.06515	34.6
121.07390	1.8
121.10127	6.8
123.08080	2.5
123.11691	5.6
125.09627	3.8
127.07549	2.5
127.11205	13.2
128.06282	1.1
129.06981	4.8
130.07776	3.5
131.04921	10.6
131.08577	18.5
132.05768	0.9
133.06458	2.3
133.10136	17.3
135.08054	2.2
135.11708	4.2
137.09592	2.9
139.11168	2.2
141.07016	1.1
143.08554	1.4
143.10664	3.4
144.05701	1.1
145.06488	4.3
145.09062	1.3
145.10135	15.3
147.08057	100.0
147.11682	3.9
149.09651	2.5
149.13237	2.6
151.11201	19.0
153.07028	1.8
155.08569	26.0
155.10577	6.4
156.96980	1.0
157.10080	1.1
158.07288	10.6
159.08064	20.9
159.11687	5.5
160.08748	1.0
161.09671	1.8
161.13248	2.1
165.09128	29.3
171.08134	1.3
172.08794	1.5
173.09639	51.7
173.13254	4.2
175.11195	9.7
175.14577	0.9
183.11717	2.0
191.10678	37.3
191.17972	1.2
201.12772	26.8
201.16431	3.1
219.13817	70.3
219.17397	6.2
237.09131	1.2
237.14801	1.8
237.18541	7.0
237.22093	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35712	0.9
55.01883	1.2
55.05516	2.4
56.96563	1.9
57.03440	1.0
57.07071	3.0
58.06593	2.0
61.50288	0.8
67.05511	2.2
69.07064	3.0
69.26996	5.9
69.27402	1.6
70.06591	5.2
71.04976	1.4
72.08171	4.7
74.02457	5.2
79.05488	2.4
81.03423	2.2
81.07066	3.5
83.04985	2.2
83.08623	1.4
84.08144	7.7
84.21573	1.0
85.02885	2.7
85.08498	1.1
86.09701	3.7
88.03976	1.1
91.05477	3.8
93.07049	3.5
94.06568	10.2
95.08601	2.6
97.02894	1.8
97.06538	1.8
98.21546	1.6
98.97578	2.9
99.00828	2.2
103.05521	4.1
104.04993	2.5
105.03420	1.7
105.07031	2.4
107.04941	2.5
107.08585	2.3
109.06511	2.0
109.10165	1.7
110.97572	1.1
116.98676	1.6
117.03410	1.4
117.07054	1.1
118.06556	11.2
119.08601	1.5
120.04476	4.1
120.08118	95.3
121.06507	3.6
121.10157	1.8
123.11726	1.2
125.02348	1.4
125.09633	1.2
128.04971	2.0
129.10266	4.4
130.06526	2.4
131.04941	5.3
132.04460	2.6
134.06030	0.9
135.07976	1.3
136.06535	1.2
136.07597	20.0
137.05966	1.4
146.06023	100.0
147.04433	2.0
147.06403	1.1
148.03940	7.5
148.05058	1.5
149.06020	1.8
150.05516	4.1
153.05540	2.2
156.04440	1.4
157.07646	1.1
158.05983	1.2
162.32681	0.9
163.03900	3.0
163.07538	2.3
164.07074	3.2
166.08655	78.0
170.04109	1.8
174.05528	17.5
176.97055	0.9
177.09134	1.6
179.04694	1.5
191.08246	6.6
191.11928	2.8
192.06560	15.3
202.05006	7.9
213.00526	1.2
219.07997	1.9
219.10124	1.2
219.21101	1.6
220.06090	5.6
232.59314	1.1
237.08945	10.4
237.12599	7.8
237.14934	1.9
237.22156	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	237.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.8
53.03960	0.6
55.01871	1.3
55.05522	1.6
57.03439	7.8
57.07079	1.0
58.61776	0.5
59.04993	0.9
67.05511	1.7
69.03443	0.8
69.07069	1.4
69.48178	1.5
69.48601	2.2
70.06604	2.0
71.04990	1.4
72.08159	2.0
75.04477	3.1
75.50419	0.5
79.05495	3.0
81.03445	0.6
81.07072	2.2
83.04981	0.7
83.08641	1.4
84.08161	1.3
86.09716	3.4
91.05476	2.8
93.07052	2.9
95.04968	1.7
95.08627	1.9
97.02929	1.1
97.06560	0.8
102.04662	3.2
103.05473	27.4
105.03384	1.1
105.07040	8.9
107.04977	0.9
107.08595	2.7
109.06526	1.6
109.10199	1.4
111.08175	0.8
111.27513	0.7
115.05473	1.3
117.07034	1.0
119.04964	0.9
119.08586	1.9
120.08129	1.0
121.06509	1.8
121.10152	3.5
123.08052	1.0
124.05263	0.6
125.09692	0.7
129.06998	1.1
129.10255	1.2
130.04153	13.4
131.04941	80.0
131.08583	1.3
133.06520	6.9
133.10158	1.4
135.08096	2.3
135.11667	1.2
137.05978	1.0
143.06000	0.7
145.06514	1.6
145.10172	1.0
147.04434	2.8
147.08015	1.0
147.11731	0.7
148.05203	100.0
149.05894	1.2
149.09531	0.7
149.94595	0.6
151.07660	0.8
151.11212	3.2
152.49547	0.6
157.06537	1.7
159.08102	0.7
159.11713	1.2
160.05186	1.7
161.06006	16.9
161.09578	1.1
162.06789	9.5
163.07558	63.3
173.09622	0.6
173.13248	0.6
175.07527	2.2
176.96950	1.5
177.09117	0.8
181.08537	0.7
187.39822	0.6
189.09114	0.9
191.10739	0.7
191.14262	0.8
194.11334	0.6
195.01109	0.7
201.09119	1.3
204.07805	1.8
205.08640	1.0
214.03584	0.8
219.10207	2.7
219.13785	1.9
219.17442	1.4
237.07353	0.8
237.10979	3.4
237.14671	3.3
237.16663	0.8
237.22113	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1123
Annotation	Methyl anodendroate
Peak:m/z	Relative Intensity
55.01858	3.1
55.05503	5.1
56.70579	1.6
57.07077	1.7
58.06597	3.1
58.90363	1.5
61.37822	1.5
67.05488	4.7
69.07072	3.1
71.05010	2.3
71.06744	3.3
72.08178	2.1
77.03957	1.8
79.05488	3.9
80.86347	1.5
81.07065	9.5
82.06575	6.4
83.04977	3.8
85.13516	1.6
91.05496	26.4
92.05812	6.8
93.07047	5.3
95.04963	1.6
95.08600	6.2
103.05455	3.2
105.03393	3.4
105.07030	8.6
107.04957	4.5
107.08599	6.9
109.06517	2.4
109.10163	2.1
111.08097	3.4
115.05465	12.6
116.06242	6.1
117.07036	13.7
118.07386	2.3
119.08601	9.2
120.08965	2.1
121.06491	4.5
121.10133	5.6
128.06209	5.1
129.07028	27.9
131.04924	3.5
131.08580	36.6
133.06474	1.8
133.10156	3.0
134.45786	1.8
135.08058	2.5
135.11673	2.8
137.05991	3.2
141.07007	16.5
143.04919	4.3
144.05728	35.9
145.06497	7.7
145.10117	2.7
147.08041	12.1
147.11691	1.9
148.08403	16.5
149.02359	3.1
149.09642	4.1
151.11165	1.7
155.05989	2.3
157.06480	6.7
158.07301	3.0
159.08078	60.1
159.11691	3.9
161.06021	5.0
161.13390	2.1
169.06425	2.6
169.07660	9.1
170.95103	1.9
172.05219	6.5
175.07535	15.7
177.05496	3.5
177.09117	6.0
177.12782	2.2
187.07544	53.6
187.09184	3.2
189.05424	1.9
191.07027	7.2
191.10703	1.7
191.14163	2.1
192.07825	7.5
193.08620	5.6
194.05806	1.8
195.14006	1.8
196.08234	2.8
201.16391	2.5
204.07747	4.0
205.08618	7.6
207.10185	23.7
207.63658	1.6
209.05978	4.2
214.09291	2.6
219.04701	2.5
219.10176	100.0
219.15746	14.2
219.17516	5.4
222.13696	1.7
237.05414	2.1
237.08864	2.2
237.11124	34.5
237.14893	5.0
237.18555	2.8
237.22130	4.3
259.29150	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0872
Annotation	L-Formylkynurenine
Peak:m/z	Relative Intensity
52.76242	0.5
54.42707	0.5
55.05503	1.3
56.96565	1.0
57.07073	0.8
58.06596	0.7
66.01019	0.4
67.05499	1.1
69.03436	0.6
69.07063	1.3
70.06586	1.9
71.07021	1.1
72.08160	1.3
74.02445	6.8
77.03935	0.6
79.05489	1.3
81.03436	0.8
81.07063	1.5
83.04987	1.5
83.08616	0.8
84.08142	2.8
86.09705	1.6
91.05478	2.6
93.07055	1.2
94.06575	14.9
95.04953	0.9
95.08627	1.2
97.02878	0.9
97.06499	0.8
97.72819	0.5
98.97589	1.8
99.00809	3.7
103.05518	0.7
104.04984	3.6
105.03399	0.9
105.04490	0.5
105.07030	1.2
107.04916	0.6
107.08588	1.2
109.06542	0.7
109.10186	0.5
110.05946	0.5
110.44694	0.5
113.19460	0.5
116.98605	0.6
118.06552	17.0
119.04973	0.5
120.04477	7.0
120.08122	8.2
121.10163	1.3
122.06068	1.0
123.11673	0.5
128.04958	3.0
129.10240	1.3
130.06548	1.9
131.04927	1.0
131.08607	0.8
132.04437	5.0
134.06020	0.6
134.24594	0.5
135.08046	0.9
136.07593	24.3
141.05486	1.7
145.02831	0.7
146.06021	100.0
147.06372	0.5
148.03952	7.4
148.05090	1.2
149.05994	0.6
150.05519	7.5
151.07521	0.6
153.05496	0.9
156.04436	1.6
157.07605	0.7
158.06039	1.4
163.03903	2.7
163.07497	0.7
163.08685	1.7
164.07098	4.1
166.08632	5.5
172.32890	0.5
173.07158	1.1
174.05518	24.5
191.08179	8.1
192.06572	19.4
193.08560	0.6
202.05022	8.9
219.05949	2.0
219.07819	1.1
219.17389	0.6
220.06075	9.7
237.08862	10.9
237.12595	1.7
237.14882	0.7
237.18472	0.7
237.22218	2.2
249.03058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1648
Annotation	Huperzine W
Peak:m/z	Relative Intensity
53.03949	4.5
55.01873	11.9
55.05506	4.7
57.03436	12.6
57.07080	35.2
58.06601	18.1
59.06950	3.2
60.64475	2.5
65.03933	3.2
67.05512	71.8
68.50437	2.7
69.03429	20.7
69.67919	7.3
69.68309	6.6
70.06573	2.4
72.08141	5.9
74.09718	56.1
75.48056	2.5
79.05499	100.0
81.03423	20.7
81.07062	5.2
83.04993	6.1
84.04484	6.5
84.08144	10.9
85.05284	7.6
86.06067	5.5
91.04916	4.1
91.05489	80.9
93.07043	21.9
95.01325	19.0
95.04977	26.1
95.08584	4.4
97.02881	4.3
98.06047	13.7
98.20757	4.6
103.05464	3.5
104.07118	11.0
105.07053	12.2
107.04969	34.6
107.08602	36.2
108.08968	3.8
109.10169	17.1
115.05480	18.8
117.07033	87.4
117.30758	2.8
119.04945	4.1
119.08611	21.2
121.06554	7.8
126.09164	14.1
133.06546	4.9
135.08069	38.6
137.09622	5.6
141.11487	5.8
145.06509	9.6
147.04414	7.5
148.04793	3.3
162.09145	3.7
163.07526	19.7
180.10988	4.8
181.08629	6.8
184.20932	2.7
190.16794	2.6
208.17047	13.3
218.08182	4.5
218.15590	4.6
221.62975	2.9
236.09175	5.1
236.11261	5.2
236.16566	64.5
236.19971	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	236.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01878	4.9
55.05508	1.5
56.05027	1.6
57.07073	2.6
58.06586	3.8
59.65042	0.9
60.08134	0.9
67.05504	1.8
70.66164	2.1
72.08151	4.6
79.05498	6.9
81.03410	1.2
81.07052	3.0
82.06551	1.3
84.08093	1.1
86.63702	0.8
91.05488	46.3
93.07034	3.5
95.04965	1.7
103.05471	4.0
104.06269	2.5
104.07101	3.0
105.03392	18.5
105.04464	1.0
105.07001	1.7
107.04971	1.8
107.08569	0.9
115.05474	2.6
117.07032	9.7
119.08587	14.8
121.06537	0.8
128.06244	1.6
129.07018	3.5
132.05699	2.1
144.05724	1.3
147.04413	2.0
147.08058	100.0
153.07368	0.8
157.02150	0.9
159.08081	1.0
178.13020	1.3
183.73312	0.9
187.07684	1.6
216.74066	1.0
218.15407	56.4
219.10181	3.4
236.09001	1.5
236.11227	1.1
236.17242	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	236.1282
Annotation	10-Hydroxydarlingine
Peak:m/z	Relative Intensity
55.05525	0.6
69.15589	1.6
69.16019	1.1
72.08160	10.9
73.06535	0.7
74.72890	0.3
89.40394	0.2
90.09201	3.5
91.05484	4.5
94.95223	0.2
98.20701	0.6
107.81239	0.3
119.04951	20.9
147.04417	100.0
148.04790	0.5
176.17622	0.3
236.12881	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	236.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48727	0.2
55.01875	0.2
55.05516	0.5
58.06608	0.3
65.03931	0.4
67.05508	0.3
69.42738	0.7
69.43156	0.5
70.06573	0.2
72.08163	11.7
73.06554	0.7
84.08145	0.7
90.09206	3.5
91.05491	5.3
95.04992	0.2
102.96844	0.2
104.04974	0.4
106.06544	0.5
107.06882	0.3
116.07088	0.2
119.04953	19.2
120.05243	0.3
121.02869	0.4
121.06519	0.2
131.05011	0.3
131.06062	2.5
133.05627	0.2
147.04422	100.0
148.04747	2.7
159.05542	0.5
160.07521	0.2
165.07021	1.1
166.07716	0.2
178.07707	0.4
179.08405	0.4
180.09146	0.5
189.07037	0.4
190.07553	0.3
191.08572	0.7
193.06558	0.5
194.07219	1.0
205.06111	2.5
207.07956	1.0
208.08702	0.8
209.09618	0.4
211.09288	0.2
218.11818	0.5
219.08109	0.5
219.12119	0.5
221.05984	1.1
222.06741	1.0
230.58978	0.2
235.07610	0.8
236.08241	4.8
236.10408	0.8
236.12729	2.7
236.14822	0.3
236.17157	0.6
237.09145	1.7
242.29073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50829	1.4
53.85514	1.3
58.52429	1.4
69.73439	3.3
69.73843	5.3
87.60109	1.7
104.10753	10.7
105.11053	1.7
133.01636	6.8
149.01144	85.2
162.04288	17.0
176.05869	20.5
177.06671	9.2
181.62378	1.5
192.09015	7.0
236.07985	100.0
236.14871	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1695
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03945	2.0
55.01877	2.2
55.05512	10.5
56.96555	2.1
57.07084	17.7
58.06606	40.2
59.04988	3.6
65.03927	2.3
65.36301	1.0
67.05511	19.1
69.03413	4.5
69.07076	13.3
70.06600	1.4
70.78082	2.1
71.05001	21.4
72.08154	3.3
73.06547	3.7
74.06065	1.3
79.05152	1.0
79.05508	11.9
81.03411	3.0
81.07066	32.5
83.04984	8.4
83.08619	5.0
85.06532	1.9
89.06040	5.8
91.05498	19.1
93.07050	35.3
95.04993	11.7
95.08056	2.0
95.08616	26.0
97.06525	4.1
97.10180	1.6
98.97582	3.7
101.06013	1.5
103.05501	1.5
105.03392	2.1
105.07041	40.2
107.04954	2.5
107.08604	65.2
109.02900	1.5
109.06528	10.5
109.10168	29.9
110.07160	2.3
111.04482	1.9
111.08089	15.3
111.11730	1.3
115.05457	6.5
115.07492	1.1
117.07009	7.2
119.04946	4.4
119.06172	1.3
119.08592	37.5
120.04481	10.4
120.08050	1.9
121.06518	5.5
121.10157	19.8
123.04420	3.2
123.08054	4.2
123.11716	3.1
125.08770	2.2
125.09636	26.9
127.11177	1.7
128.06258	1.8
128.09880	1.3
129.07013	2.9
130.06528	1.5
131.04945	1.8
131.08580	13.8
131.35510	1.1
133.06494	4.2
133.10143	25.7
135.08058	4.3
135.11710	26.6
136.94223	1.1
137.05971	3.8
137.09622	4.6
139.07608	2.5
142.07698	1.4
143.08578	4.6
145.06505	8.3
145.10133	18.7
146.03456	1.1
147.04425	19.0
147.08092	8.0
147.11699	61.0
149.09654	4.1
149.13252	4.0
149.40660	1.2
151.03906	2.4
151.07594	2.4
151.11169	2.5
153.12753	11.0
155.06073	1.4
157.06487	2.0
157.10144	7.2
159.11716	7.0
160.05132	2.9
161.05917	4.2
161.09648	7.1
161.13251	5.0
162.05524	1.3
163.11159	4.2
165.09106	2.2
165.12791	6.5
167.06963	1.7
171.11668	3.1
172.07564	1.4
173.06001	6.9
173.09584	2.5
173.13213	6.0
174.06773	1.3
175.07544	11.7
175.11208	10.1
175.14833	11.5
179.08467	1.4
179.10664	12.7
187.07558	4.2
189.05501	2.3
189.09120	4.1
189.12746	4.9
189.16394	29.8
190.04822	6.4
190.06419	2.7
191.18016	1.6
193.04919	2.0
193.08559	1.8
193.15891	2.4
199.14911	6.4
205.08577	3.3
207.06450	2.6
207.10193	1.5
217.08699	8.6
217.12259	3.4
217.15887	29.3
218.11433	2.3
235.05931	5.0
235.07504	2.2
235.10759	22.2
235.13203	2.7
235.16930	100.0
235.20782	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	235.1695
Annotation	10-Hydroxy-3-longipinen-5-one
Peak:m/z	Relative Intensity
55.01869	3.3
55.05504	5.2
57.07079	17.5
59.04982	2.5
64.02825	1.9
65.05089	1.8
67.05525	10.1
69.03429	3.8
69.07070	14.1
70.76723	4.0
71.04984	6.0
79.05471	8.9
79.86343	1.9
81.07053	14.9
83.04995	2.5
83.08612	3.2
85.06538	3.7
91.05492	17.5
93.07068	17.9
94.77168	1.9
95.04961	6.2
95.08618	20.1
97.06525	6.6
105.07041	29.1
107.04961	2.6
107.08612	27.9
109.06490	9.5
109.10168	16.2
109.97502	1.9
111.04414	2.8
111.08092	4.7
115.05450	7.0
117.07040	10.0
119.08593	98.1
121.06487	3.1
121.10153	12.9
123.08047	5.5
123.11721	4.6
128.06200	4.2
129.07024	3.7
131.08546	13.2
133.06487	2.5
133.09131	2.7
133.10138	44.9
135.08049	17.8
135.11700	11.0
137.09604	5.7
142.07774	5.6
143.04912	7.1
143.08583	11.3
144.05643	2.5
145.06474	2.8
145.10141	16.3
146.07225	4.5
147.08051	6.8
147.11678	16.7
149.09622	3.9
151.07533	7.7
151.11205	7.9
156.09360	3.2
157.10150	11.1
158.10876	2.7
159.11673	14.5
160.05179	8.8
161.05940	2.7
161.09628	63.2
161.13318	4.9
171.11713	6.4
173.13275	22.4
175.07562	28.0
175.11214	14.7
175.14844	20.6
177.12692	4.8
179.10675	13.9
187.07520	8.7
187.10966	2.0
187.14845	6.5
189.08997	3.0
189.12718	3.6
189.16420	19.6
191.06984	2.3
193.08551	2.1
193.15906	3.8
199.14853	19.1
202.13510	4.4
217.15900	100.0
217.19110	4.0
235.09557	4.1
235.13307	4.5
235.16928	89.4
236.17204	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
55.05508	0.7
56.05037	0.8
56.96569	17.2
57.03445	1.6
57.07079	0.4
58.95855	0.5
58.96139	7.3
59.04995	0.4
60.04531	0.4
60.95859	0.8
61.02927	3.0
66.19776	0.3
67.05501	0.4
69.03430	1.8
70.03699	1.0
70.06597	20.5
70.98117	1.6
71.86356	0.3
71.95264	2.6
72.08166	0.6
72.96056	1.2
73.02926	1.7
74.06077	0.7
74.97643	0.4
76.97175	0.8
81.03415	0.6
81.04536	1.7
82.05323	9.3
83.06104	3.5
84.04514	0.4
84.08152	3.1
84.96035	1.4
85.02904	4.1
86.09715	1.5
86.55770	0.3
86.97598	0.5
87.04482	0.6
87.10072	0.3
88.99194	0.4
89.00800	0.4
93.04525	2.1
94.06550	0.3
95.06109	1.3
97.02902	2.1
98.06085	0.7
98.97592	17.4
99.04469	0.9
99.98753	5.9
100.99161	0.7
101.00866	1.3
102.96888	2.4
103.00611	0.8
103.97200	0.6
109.02931	0.4
110.01283	0.4
110.07172	54.1
110.97578	1.5
112.08720	0.4
112.99132	1.8
113.00874	0.4
115.00673	0.6
115.02419	0.6
116.07088	0.8
116.98630	6.7
117.02077	0.4
117.99776	1.7
119.00187	0.4
119.01905	2.2
120.00752	0.3
120.97917	0.8
121.01682	1.1
121.03989	1.5
122.07127	0.5
123.05569	0.6
124.00780	0.3
124.95508	1.1
124.99110	0.5
125.01817	0.3
127.00672	0.8
127.03922	2.2
128.98618	1.3
129.10287	0.4
130.08636	0.5
131.00223	1.6
131.01892	0.4
132.00708	0.3
132.98090	0.5
133.01663	0.3
133.03477	0.4
134.08163	0.3
134.99658	2.1
135.03183	0.9
135.04405	0.3
136.00899	0.5
137.07162	0.8
138.06660	2.6
138.98933	0.6
140.00252	0.4
140.98637	0.3
141.01335	0.6
142.96529	1.0
143.00174	1.0
143.01884	0.9
145.01700	1.6
145.03450	1.4
145.05008	0.4
146.99623	1.0
147.03101	1.5
148.02058	0.8
148.03847	1.0
148.04953	0.3
149.01265	1.1
149.07103	1.1
150.01752	0.5
152.94839	0.3
152.98497	0.3
154.03876	2.2
154.07350	1.1
156.41708	0.3
156.98102	0.5
157.02621	0.9
158.99669	0.9
159.01242	0.3
159.03235	0.3
159.34842	0.3
160.97635	0.3
161.01178	0.8
161.02960	0.8
162.10280	7.8
163.02733	1.2
163.04424	1.3
165.00639	0.4
166.06129	4.4
170.96014	1.8
170.99670	1.5
171.01248	0.5
171.03403	1.7
173.01227	0.3
173.02924	0.3
174.04544	0.3
174.99159	2.7
175.02718	1.2
175.04585	0.8
177.00714	0.5
177.04285	1.0
178.04857	0.4
179.02321	0.3
182.01534	0.3
182.03183	0.3
183.05112	0.7
184.03136	0.6
185.03049	0.3
186.99237	0.3
187.04576	0.9
188.97037	5.0
189.00761	2.2
189.02402	0.7
189.04358	6.9
190.09775	0.8
191.03893	0.5
193.00243	3.1
193.01833	0.4
193.02103	0.5
193.03719	2.5
196.03197	0.3
197.06352	0.5
203.02173	0.4
203.03894	0.8
205.01987	0.4
205.03825	0.6
205.05661	0.8
206.98050	2.5
207.01822	0.7
207.05348	2.4
207.12437	4.4
211.04829	0.6
211.98624	1.3
212.02361	0.4
212.05733	0.4
214.95392	0.5
216.98735	0.9
217.03732	0.5
217.05647	0.3
217.10855	2.5
218.09273	0.6
219.01796	0.5
221.05099	0.5
223.52879	0.4
226.02322	0.4
226.06050	0.6
229.99565	0.9
230.07019	0.4
232.53386	0.3
232.96492	0.7
235.07112	2.3
235.11908	100.0
236.12224	0.6
237.02873	0.5
245.05043	0.5
252.96510	0.4
253.02393	0.3
253.07840	0.4
253.11249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.3
56.96575	0.7
58.06606	7.2
60.08168	0.6
70.06599	18.7
71.01562	0.6
76.58189	0.3
81.04533	2.0
82.05325	7.8
83.06113	3.3
84.08160	0.6
93.04542	2.0
93.64202	0.3
95.06092	1.2
98.06083	0.7
98.97598	0.3
99.39255	0.3
104.10749	3.5
110.07175	53.8
119.01910	0.5
119.04919	0.3
121.04015	1.2
122.07133	0.5
123.05573	0.6
130.06503	0.3
133.05264	0.5
134.06067	1.0
136.94034	0.4
137.07133	0.8
137.31671	0.3
138.06650	2.5
146.06042	0.4
147.03288	0.5
147.04443	1.1
147.06622	0.3
148.04056	0.5
148.05095	0.5
148.07620	0.6
149.01184	0.5
149.07120	0.7
154.07361	0.8
158.06010	0.6
160.07567	1.5
162.09038	0.7
162.10284	7.9
166.06129	4.1
175.06247	0.5
176.05786	0.4
176.07121	3.8
176.68881	0.3
190.08673	1.3
206.08241	0.3
207.12415	3.4
214.55330	0.3
217.10864	3.0
218.07999	0.5
234.28345	0.3
235.11929	100.0
236.12260	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	235.0967
Annotation	trans-p-Coumaryl diacetate
Peak:m/z	Relative Intensity
55.01884	1.5
57.07078	8.6
58.06587	2.5
58.96132	1.9
59.05009	0.8
67.02666	0.7
67.05511	2.6
71.52010	1.0
71.52413	1.3
76.74945	1.0
79.05502	2.7
81.07064	3.2
82.74544	0.9
83.04955	1.2
83.08648	1.0
91.05472	4.5
91.30139	0.8
93.07050	3.8
95.04956	1.4
95.08627	2.8
97.06520	1.3
99.98730	1.5
103.05492	1.5
105.07021	2.9
107.08582	3.8
109.02889	1.3
109.10165	1.4
115.05459	9.5
117.07044	5.2
119.08597	3.1
121.10170	1.2
128.06219	6.2
129.07014	15.7
131.04951	2.8
131.08574	1.2
133.06429	1.0
133.10103	2.6
137.05980	5.8
143.04932	6.1
144.05701	7.0
145.06496	5.2
146.07286	1.3
147.08025	1.6
151.03896	1.8
151.07549	1.3
155.06081	1.6
157.06505	19.1
158.07291	1.0
159.04478	1.3
160.05208	23.9
161.05954	1.8
161.13246	1.7
162.06714	1.1
163.07501	1.1
172.05211	5.8
173.05991	5.6
174.06779	6.4
175.07562	100.0
177.09007	1.0
179.10686	5.3
185.06010	2.1
187.07562	50.5
188.08313	3.0
189.09119	15.0
190.06166	1.0
199.07559	2.6
205.08546	4.7
207.07941	1.6
217.08582	8.4
217.19580	1.2
235.07506	4.6
235.09357	11.3
235.13354	3.2
235.14595	1.3
235.16924	23.9
235.20578	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	235.0967
Annotation	trans-p-Coumaryl diacetate
Peak:m/z	Relative Intensity
55.01877	1.3
57.07077	1.5
58.06611	3.8
63.56639	0.5
71.16742	1.3
91.05460	1.0
103.05492	1.0
103.62053	0.6
115.05470	9.0
117.07041	3.2
119.75771	0.6
128.06241	3.1
129.07019	7.4
131.04910	0.8
137.05997	2.6
137.49402	0.6
143.04987	3.1
144.05695	5.3
145.06450	1.7
147.04453	1.1
147.08055	1.2
156.05702	1.1
157.06525	7.0
158.07187	0.8
160.05212	21.9
161.05989	1.1
163.07587	0.9
172.05220	4.6
173.05983	2.3
174.06796	3.2
175.07565	100.0
185.06009	1.4
187.07561	36.6
188.08337	2.4
189.09093	6.1
190.05031	0.8
199.07648	0.7
205.08601	2.2
217.08611	6.2
235.07491	0.7
235.09724	2.6
235.16814	2.8
235.20596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0966
Annotation	trans-p-Coumaryl diacetate
Peak:m/z	Relative Intensity
55.01865	1.3
57.07076	1.7
58.06566	0.7
68.37247	0.6
69.96800	1.5
69.97192	1.8
70.25101	0.8
79.52596	0.6
98.20840	0.9
103.05476	1.4
104.84858	0.6
115.05460	9.9
117.07039	3.4
128.06242	3.5
129.07019	11.6
131.04950	0.9
131.08543	0.8
132.05669	0.9
137.05991	2.6
143.04964	7.3
144.05733	4.3
145.06494	3.1
147.08032	0.8
155.06012	1.1
156.05687	1.1
157.06520	7.5
160.05209	21.8
160.06540	1.1
161.06020	1.4
162.06795	1.0
172.05215	4.6
173.06035	2.5
174.06715	3.4
175.07562	100.0
179.10707	1.2
183.79143	0.8
185.05989	1.4
187.07561	37.7
188.08282	2.0
189.09132	9.1
199.07570	1.7
205.08629	2.0
209.10561	0.7
217.08609	8.6
235.07443	1.2
235.09358	3.8
235.16830	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	235.0967
Annotation	trans-p-Coumaryl diacetate
Peak:m/z	Relative Intensity
55.01866	2.0
57.07079	1.3
58.06609	4.1
61.90962	0.7
67.61414	0.7
69.52004	3.9
82.38538	0.6
91.05483	0.8
91.52351	0.6
115.05466	9.0
117.07021	3.7
128.06244	3.7
129.07016	9.9
131.04918	2.1
132.05750	1.4
137.06039	1.4
143.04915	6.2
144.05739	5.1
145.06526	3.5
147.04425	1.6
147.08073	1.0
155.06058	1.2
156.05688	1.4
157.06520	10.0
160.05231	20.9
161.06009	1.4
172.05232	5.4
173.06026	3.7
174.06787	2.6
175.07570	100.0
179.10719	1.5
185.06015	2.0
187.07574	38.5
187.97134	0.7
188.08333	2.9
189.09131	8.4
199.07579	3.1
205.08684	1.1
217.08604	8.7
235.09352	1.1
235.11240	1.2
235.16940	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	235.0966
Annotation	trans-p-Coumaryl diacetate
Peak:m/z	Relative Intensity
57.07086	18.5
58.06588	5.9
58.96120	3.9
62.37578	2.8
67.05491	4.2
71.01823	5.9
79.05496	3.6
81.07063	4.3
95.08620	6.3
98.29961	3.2
102.79247	3.0
105.07030	3.6
107.08615	3.2
115.05478	16.8
119.08575	5.0
129.07016	5.2
133.10146	4.9
143.04948	14.6
144.05757	5.3
157.06473	5.7
160.05235	30.1
161.05927	2.9
161.68109	3.1
172.05179	8.5
175.07571	100.0
179.10684	15.9
187.07562	34.2
217.08482	5.2
235.07547	6.9
235.09714	10.8
235.13223	5.1
235.16914	52.2
235.20561	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	235.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
57.07076	3.4
58.06589	0.9
58.96131	1.0
71.52399	0.9
74.71002	0.6
79.02749	0.7
81.07041	1.0
83.04968	0.7
91.05493	2.0
95.08598	0.6
99.98723	0.7
103.05450	0.8
105.07027	0.9
115.05454	7.6
117.07025	2.6
119.08573	1.6
123.08055	0.7
128.06218	2.1
129.07010	6.3
131.04958	1.2
132.05685	0.8
137.06000	3.3
137.40790	0.7
143.04921	2.7
144.05719	5.2
145.06487	1.8
147.08084	0.9
150.05696	0.6
151.03944	0.8
156.37817	0.6
157.06544	4.8
159.04526	0.6
160.05214	21.3
161.06026	1.0
161.13298	0.6
165.02118	0.9
172.05173	3.5
173.05966	1.8
174.06799	1.7
175.07564	100.0
176.03735	0.6
176.07857	0.7
179.10687	2.0
185.05980	1.1
187.07564	35.3
188.08339	2.3
189.09106	6.7
199.07625	0.9
205.08565	1.3
217.08621	4.4
235.07492	2.0
235.09668	2.9
235.13376	1.1
235.16936	8.7
235.20523	0.9
255.19383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.05522	7.9
57.07088	8.0
58.06611	8.0
60.04527	2.3
60.08168	7.7
65.03929	2.6
67.05514	29.2
69.03436	8.1
69.07049	3.9
70.06595	1.9
70.92159	1.7
71.53014	2.3
72.08161	9.6
74.09734	3.7
79.05503	100.0
81.03408	7.1
81.07063	20.4
83.04997	4.4
83.08646	1.8
83.70534	1.4
84.04523	1.9
86.06078	11.2
91.05492	51.0
93.06488	3.1
93.07056	52.9
93.07635	3.3
94.28038	1.5
95.01353	2.7
95.04964	7.1
95.08611	12.7
98.06081	13.8
105.07044	32.2
107.04968	4.7
107.08605	86.3
109.06519	5.1
109.10139	1.8
111.04433	4.6
112.07615	18.0
112.39557	1.9
114.09144	3.2
115.05466	3.6
117.07043	10.2
119.06097	2.3
119.08609	12.6
121.10152	6.9
126.09210	7.7
127.09938	4.4
128.10707	3.0
129.07050	2.3
130.12332	1.4
131.08574	9.4
133.06485	7.0
133.10149	43.5
135.08012	3.6
135.11682	9.7
139.09952	1.8
140.10722	15.6
141.11520	1.8
146.05997	2.1
147.06380	4.5
147.11714	20.9
149.13268	22.6
154.12273	3.7
155.07048	6.0
157.10251	1.7
158.04214	1.6
161.07645	1.6
161.09592	7.8
173.08109	4.4
174.05415	2.3
175.05844	8.9
175.07556	8.0
175.11194	9.7
181.08485	1.8
185.03972	1.5
187.07570	5.0
192.13762	1.8
217.10774	13.2
234.13051	7.6
234.15135	13.1
234.18504	35.2
234.22224	3.6
235.16927	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	234.1853
Annotation	Tebutam
Peak:m/z	Relative Intensity
51.48670	1.2
53.03945	6.0
55.01870	2.3
55.05519	3.4
57.06792	1.6
57.07077	32.7
58.06602	3.7
60.04517	1.6
60.08170	1.7
65.03937	2.0
67.05511	17.7
68.02659	1.4
69.03432	16.8
69.07058	3.2
69.96442	3.8
69.96854	1.8
72.04509	1.4
72.08150	4.9
74.09725	8.5
76.88412	1.1
77.03941	1.5
79.05495	34.1
79.05963	1.7
81.03407	3.6
81.06590	1.5
81.07062	25.0
83.04977	2.3
84.04508	8.8
85.05298	3.4
86.06054	5.1
88.02239	1.8
91.05486	47.8
93.07049	100.0
95.04961	6.5
95.08613	4.0
95.41180	1.2
96.16833	1.1
98.06056	14.7
100.07645	1.9
101.06003	1.8
105.04515	2.6
105.07037	14.9
107.04976	3.1
107.08597	26.4
109.06506	1.8
110.05991	1.7
111.04441	4.5
112.07610	2.1
115.05434	1.4
117.07047	8.3
119.08603	16.4
119.79817	1.1
126.09155	17.0
128.06187	1.5
128.10764	3.1
129.64870	1.0
133.06505	3.3
133.10132	25.0
135.08057	2.0
135.11696	31.2
140.10724	3.3
141.11450	7.3
142.12222	2.0
143.08574	2.3
145.06407	1.4
146.06044	2.2
147.06366	3.2
147.11697	1.8
149.13356	1.4
154.12291	10.0
155.07086	2.7
161.09634	17.2
173.08078	3.4
175.05846	4.2
178.12367	1.2
186.10403	1.2
201.84236	1.1
217.10612	7.1
217.12514	1.5
234.13335	2.2
234.14952	4.0
234.18504	31.1
234.22241	3.6
235.16864	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	234.149
Annotation	Crispine A
Peak:m/z	Relative Intensity
53.03947	0.8
55.01879	6.5
55.05519	4.6
56.05033	0.6
57.03444	2.8
57.07068	0.4
58.06600	1.1
65.03951	4.7
67.05510	100.0
68.02647	0.7
68.05843	0.3
69.03438	3.3
69.77866	1.7
70.06600	1.2
71.07378	3.4
72.08162	41.9
79.05500	45.2
81.03421	5.9
81.07077	0.6
83.04994	0.9
91.05488	22.6
93.07050	4.9
95.01340	9.3
95.01946	0.5
95.04980	9.0
95.08643	1.0
96.04524	0.9
97.02898	3.2
98.06071	0.7
98.97579	3.4
102.77485	0.3
103.05495	0.9
105.01776	0.3
105.03387	0.5
105.04504	0.3
105.07043	6.6
106.06584	0.6
107.04967	15.5
107.08605	14.2
109.06497	1.0
110.06118	0.3
111.04459	1.2
115.05460	5.8
116.07090	0.5
116.98660	0.9
117.07027	28.6
119.04967	1.1
119.06079	0.8
119.08581	2.7
119.09314	0.4
120.08064	0.4
121.06513	3.0
123.08110	0.6
124.07594	0.5
128.02307	0.4
131.04912	0.5
131.08531	0.3
133.06502	2.6
135.08061	16.5
137.09608	0.7
139.09937	8.1
142.26387	0.3
145.06499	5.2
145.07632	0.4
145.10204	0.3
146.06041	0.8
147.04440	0.3
147.06360	1.4
149.09598	0.6
151.07549	2.1
152.07909	0.3
152.10805	0.3
155.06023	1.0
155.07065	1.1
158.99629	1.5
160.07187	0.3
163.07555	9.7
173.08116	1.1
174.05589	0.6
174.09180	0.7
175.05949	1.5
175.09483	1.9
177.00758	1.2
181.08609	10.9
199.09544	0.5
206.15395	1.6
207.13846	0.5
214.08717	0.4
216.13872	0.6
217.10764	3.6
234.14932	56.6
251.97771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11873	0.2
53.58143	0.3
55.05514	1.0
57.03440	2.1
57.29073	0.3
63.46132	0.2
69.26233	1.8
69.26643	0.5
78.14737	0.2
79.05507	1.9
81.07062	4.2
87.00838	0.8
91.05482	0.5
94.04056	1.0
99.08097	0.4
101.05951	0.2
103.05479	4.5
106.06562	14.4
107.04951	0.5
114.84450	0.2
119.03548	3.2
120.08132	0.4
131.04942	13.4
132.04482	1.1
132.53070	0.3
134.06834	0.4
136.06194	100.0
137.04613	0.8
148.06195	0.4
155.07033	0.5
162.06351	0.3
173.08064	0.5
190.10863	2.4
192.06564	8.6
216.06816	0.3
217.10738	1.6
234.13512	79.5
235.13780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1492
Annotation	4-(2-ethyl-6-methylphenyl)-5-methylmorpholin-3-one
Peak:m/z	Relative Intensity
51.02382	1.5
53.03933	1.9
55.01877	10.1
55.05519	5.4
57.03443	6.4
58.06586	2.4
58.28688	0.9
60.08177	1.7
65.03921	3.0
67.05512	51.0
67.70515	0.9
69.03433	3.9
69.07059	2.5
69.52927	2.9
69.53355	3.3
70.06580	3.2
70.07423	1.5
71.01354	1.9
71.07368	2.6
72.08164	40.3
72.54855	0.9
79.05501	93.8
79.60335	0.9
81.03422	19.0
81.07042	1.3
84.08119	0.8
91.05492	40.6
92.05815	1.8
93.07056	14.2
94.20131	0.8
95.01342	20.6
95.04972	15.3
95.08622	1.3
97.02904	3.3
97.06559	1.4
98.06779	0.9
98.21597	1.2
98.97604	1.8
103.05458	3.3
105.04536	1.5
105.07039	11.6
107.04964	24.0
107.08607	27.6
109.06526	1.3
111.04448	3.4
115.05476	16.5
116.98651	0.9
117.07029	64.0
119.04908	1.5
119.08596	3.5
120.05301	1.5
120.08092	1.0
120.70840	0.9
121.06492	6.4
121.10220	1.0
124.07584	1.0
133.06519	3.9
134.06894	0.9
135.08066	29.7
137.06001	4.1
138.06343	5.5
139.09918	7.6
145.06503	8.2
146.05994	1.3
147.04424	1.7
147.06364	1.7
151.11998	1.1
155.05919	0.9
155.07057	2.4
163.07539	14.0
170.98146	0.9
173.08130	3.6
175.05902	3.7
175.09438	2.4
181.08632	2.6
206.15434	1.7
216.13925	2.6
217.10747	6.8
234.14929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88688	0.2
58.06614	0.3
60.08175	4.1
69.37000	0.7
69.37423	0.7
91.05485	0.4
115.05450	0.4
117.07018	0.3
118.06631	0.4
130.06575	0.4
131.04913	0.3
131.07333	2.3
142.06558	0.8
143.07329	3.8
144.08147	1.0
146.06017	1.6
147.08049	0.3
155.74033	0.2
159.06821	13.0
173.93633	0.2
174.05605	2.2
174.09171	100.0
175.09430	0.2
233.12997	1.8
233.16507	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	234.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47745	0.2
54.46239	0.2
58.06578	0.3
65.03942	0.4
70.06597	7.5
71.04991	4.5
71.39046	0.6
73.22247	0.3
83.04988	0.3
88.07642	0.7
91.05484	5.9
106.06590	0.4
111.04433	0.5
119.04946	20.3
121.06509	1.0
135.74173	0.3
147.04413	100.0
148.04755	0.8
155.07007	0.7
162.12839	0.8
164.07072	35.2
173.08119	0.6
174.09094	0.3
175.05803	0.6
175.09399	1.5
217.10826	1.0
234.11302	0.8
234.14963	3.8
240.09575	0.3
244.06081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1539
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03939	1.9
55.01861	2.4
55.05521	10.3
57.07074	8.1
58.06592	3.4
59.04992	2.2
60.08179	7.5
65.03943	2.1
67.05506	15.6
69.03439	8.7
69.07066	10.7
69.33312	10.4
70.06574	1.2
71.04993	3.6
79.05496	16.6
81.07059	19.7
83.04984	4.9
83.08620	10.7
85.06569	2.1
86.09677	1.6
91.05479	29.9
93.07053	42.1
95.04993	10.3
95.08617	37.5
97.02914	2.1
97.06534	6.1
99.04468	4.5
101.17952	1.6
103.05465	4.1
105.07040	53.7
107.04950	4.7
107.08604	30.3
109.02880	2.7
109.06520	8.9
109.10166	16.1
111.04433	17.2
111.08070	4.7
113.06033	6.9
115.05459	5.8
117.07029	16.4
118.06528	4.5
119.04939	7.5
119.08594	50.2
121.06522	12.1
121.09333	2.5
121.10157	43.5
123.08080	3.3
123.11702	8.1
125.05986	5.0
128.06195	2.3
129.06996	5.0
130.07826	7.0
131.04926	3.3
131.08580	38.1
133.06525	2.8
133.10143	69.6
134.10895	5.9
135.04419	2.0
135.08061	9.8
135.11703	12.0
137.05986	6.4
137.09615	5.5
139.07552	3.8
141.07019	2.4
142.07779	2.0
143.07512	1.3
143.08575	8.2
144.05643	1.9
144.09337	4.0
145.06505	9.5
145.10133	85.6
146.06024	43.2
146.07007	0.8
146.07219	1.4
147.04433	10.9
147.08076	8.8
147.11699	16.0
149.05978	6.6
149.09615	4.4
151.07567	3.3
152.33748	1.4
155.08548	5.0
156.09344	1.8
157.06422	2.1
157.10136	8.1
158.07278	7.4
158.10948	5.0
159.06850	3.1
159.08054	24.2
159.11711	31.1
161.09628	6.1
161.13286	4.1
163.07578	17.0
163.11201	12.9
165.09135	4.5
169.10139	2.5
169.12292	1.7
171.08041	3.2
171.11662	2.4
172.05257	1.4
172.08813	2.8
172.12450	7.0
173.06046	2.8
173.08130	1.8
173.09630	52.6
173.13245	17.6
174.05525	61.2
174.09122	15.9
175.11095	1.6
177.09108	12.9
182.10957	2.3
185.09589	2.0
186.10446	3.2
186.45593	1.4
187.07597	2.1
187.11238	19.0
187.14835	76.6
188.08382	1.6
189.16356	6.0
191.10648	10.3
191.14299	2.4
197.09621	2.2
197.13297	9.1
200.11990	3.4
203.10692	2.8
205.08601	1.9
205.12288	3.1
205.15887	4.7
215.07117	1.9
215.11029	9.0
215.14331	57.8
225.91519	1.4
233.06026	3.2
233.08148	7.8
233.12862	55.9
233.15388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	Hypacrone
Peak:m/z	Relative Intensity
50.14014	0.5
50.80344	0.5
51.84586	0.4
52.12948	0.4
53.03934	1.6
55.01853	0.8
55.05519	2.9
57.07063	1.0
67.05481	1.5
69.03434	3.8
69.07076	1.2
69.38334	4.0
71.04995	0.7
79.05503	37.8
81.07052	2.4
83.04967	1.2
83.08637	4.6
85.06544	0.6
88.69160	0.5
91.05482	2.6
93.07059	3.7
95.04982	3.0
95.08616	1.0
97.06535	1.5
98.20758	0.9
105.04491	0.8
105.07050	5.5
107.04969	42.9
107.08607	7.6
109.06528	1.3
109.10150	1.0
111.08097	4.0
115.05457	2.7
117.07030	2.2
119.08627	4.5
121.06488	1.8
121.10167	3.8
123.08031	0.7
125.09635	2.5
128.06244	0.8
129.06996	1.9
131.04922	0.8
131.08578	4.3
133.06451	0.8
133.10156	3.8
135.04385	0.6
135.08051	1.3
137.09625	0.7
141.07004	0.7
142.07756	0.7
143.04941	2.2
143.08566	1.2
145.06499	3.1
145.10175	3.1
146.06093	1.1
147.08063	0.9
147.11699	6.1
149.09654	4.9
149.13239	1.8
151.07520	0.9
153.09073	0.8
156.09146	0.5
157.06514	1.7
157.10117	1.9
158.07249	0.8
158.10928	1.2
159.08087	3.4
159.11653	0.8
160.08820	0.9
161.05966	1.2
165.09094	0.7
171.08116	1.1
172.08842	4.7
173.06017	7.5
173.09607	2.0
173.13278	4.2
174.05489	2.0
174.06802	1.1
174.10466	1.0
175.07581	0.6
175.11189	6.5
176.04781	0.7
177.09163	0.9
184.08810	1.3
185.05963	3.9
187.07581	2.6
187.11226	0.8
188.08359	7.6
189.05458	0.6
189.09117	1.6
190.09892	0.6
191.14333	50.1
197.13272	1.3
200.08334	1.2
202.09875	1.0
203.10693	8.3
205.08588	0.8
205.12241	1.6
215.07069	0.7
215.10748	4.8
215.14294	1.5
224.67125	0.5
233.07863	2.9
233.11775	17.1
233.15373	100.0
249.15608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03953	0.8
55.01859	0.5
55.05510	3.2
56.96545	0.6
57.07087	1.9
58.06605	0.4
67.05508	2.7
69.03434	4.9
69.07062	1.6
69.57655	2.4
71.04987	1.1
77.03937	0.4
79.05498	31.5
80.06261	0.7
81.07057	2.9
83.04978	2.4
83.08633	3.6
85.02905	1.0
85.06542	3.7
87.04461	0.3
91.05485	5.3
93.07056	6.0
95.04976	5.5
95.08609	2.6
97.06531	1.6
99.08088	0.5
103.05464	0.7
105.04514	0.8
105.07040	9.7
107.04963	35.0
107.08605	8.5
109.06524	1.8
109.10151	0.9
111.04432	1.3
111.08086	3.9
113.05983	1.8
115.05459	1.2
117.07034	4.1
119.08591	13.5
121.06493	2.1
121.10136	4.3
123.08059	1.3
123.11725	0.5
125.09595	1.7
128.06245	0.7
129.07008	2.0
130.07791	0.7
131.07585	0.7
131.08574	12.0
133.06474	0.9
133.10139	7.7
135.04414	0.6
135.08061	4.1
135.11665	0.6
137.09613	4.9
141.06940	0.6
142.07793	1.7
143.04938	0.6
143.08566	2.0
144.09322	0.4
145.06464	1.0
145.10130	12.4
146.06001	0.8
146.10907	0.6
147.08055	14.5
147.11693	15.9
149.09628	6.0
149.13283	2.9
153.09109	0.9
155.08582	0.8
156.09346	1.6
157.06500	0.5
157.10147	8.2
158.10924	2.3
159.08112	1.8
159.11699	2.9
160.08844	1.9
161.13269	0.7
163.11208	4.1
163.14891	0.4
167.08537	0.6
169.10196	0.6
171.11731	1.9
171.37250	0.3
172.12465	1.0
173.06027	3.0
173.09784	1.7
173.13280	11.1
174.05450	1.4
174.10370	0.8
175.11195	21.4
177.09058	0.7
182.10970	1.8
185.05962	1.4
187.07547	1.1
187.11192	0.7
187.14827	4.0
189.12767	8.1
191.14317	45.0
197.13297	2.5
202.09894	2.5
203.06956	0.6
205.08600	0.6
205.15898	0.7
215.07118	0.7
215.10922	0.8
215.14330	8.5
218.09427	0.6
233.07881	1.8
233.12032	3.2
233.15367	100.0
234.15651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1539
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
53.03946	1.5
55.01848	0.9
55.05519	4.7
57.07074	1.8
57.79087	0.9
58.06604	1.1
60.08174	4.1
67.05175	1.1
67.05510	8.9
69.07072	5.8
73.02937	1.5
77.26961	0.8
79.05502	10.5
81.07065	25.8
83.08617	2.3
91.05486	14.3
93.06486	1.1
93.07056	17.9
95.04982	2.2
95.08614	23.3
97.06537	1.3
97.10182	0.9
103.05392	0.9
105.07040	29.2
107.04951	0.9
107.08604	15.5
109.06522	1.6
109.10160	7.0
110.18386	0.9
111.08089	1.3
113.61736	0.7
115.05431	2.0
116.06238	1.3
117.07030	7.5
118.06548	1.9
119.04957	1.6
119.08591	17.1
121.06502	2.4
121.10152	6.9
123.08051	1.7
125.05994	2.2
129.06981	1.7
130.07787	1.1
131.08578	29.5
133.06519	1.7
133.10129	9.0
134.10851	1.1
135.04376	0.9
135.08102	1.2
135.11732	1.9
137.05983	3.1
139.07553	3.1
141.07045	1.2
143.04919	1.1
143.08569	3.5
145.06480	2.3
145.10136	33.9
146.06020	18.4
147.08046	2.2
147.11688	8.1
149.06046	1.6
149.13304	0.9
151.07567	4.2
153.09184	1.1
155.08549	3.6
157.10127	2.4
158.11005	0.9
159.08078	4.5
159.11691	17.2
161.09615	0.9
161.13272	13.4
163.07564	4.3
163.11247	1.1
165.09117	1.1
169.10124	2.3
171.11679	2.6
173.05984	2.8
173.09647	3.4
173.13234	2.1
174.05519	27.5
176.55960	0.9
177.09137	9.5
178.06235	1.1
182.10968	2.0
185.05959	0.9
185.13326	1.6
187.11333	4.1
187.14839	100.0
189.16402	2.0
191.10698	3.7
197.13315	8.5
205.15826	6.2
215.11055	1.0
215.14336	25.1
218.01961	1.1
233.04399	1.7
233.12871	24.3
233.15387	52.1
233.19156	2.7
251.71535	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1498
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
56.05042	16.2
56.96571	1.3
57.03443	2.8
58.06607	3.5
61.75528	0.3
63.61723	0.3
70.06599	0.5
70.68113	0.9
74.06087	100.0
82.31623	0.3
84.04519	2.9
85.02913	0.5
86.09715	20.0
98.97633	0.4
101.07152	2.3
102.12548	0.3
112.02265	0.4
120.91511	0.3
130.08661	0.3
132.10222	18.1
133.60013	0.3
134.08109	0.4
140.93117	0.3
142.12268	0.6
143.11798	0.7
144.56934	0.4
169.13397	1.3
171.12131	0.9
187.02513	0.5
187.14439	11.4
189.03391	0.5
215.13914	4.5
233.14995	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	233.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01878	5.3
55.05503	4.7
57.03444	1.4
57.07073	1.2
65.03938	1.6
67.05208	0.9
67.05505	8.4
68.99776	1.5
69.03432	5.7
69.07066	8.0
70.17763	2.2
71.05003	7.2
72.08134	1.1
77.03914	1.2
79.05064	1.4
79.05490	15.8
81.03389	2.8
81.07056	9.4
83.04967	3.9
85.02885	1.8
85.06533	2.6
91.05486	28.8
93.07050	12.7
95.04974	10.2
95.06018	1.0
95.08592	2.8
97.02850	1.3
97.06530	10.7
99.03855	1.5
99.04459	22.1
103.05446	3.7
105.04509	1.1
105.07031	37.4
107.04952	16.8
107.08620	6.6
109.02859	1.7
109.06499	3.4
109.10136	1.8
111.04436	1.5
115.04696	0.8
115.05446	5.8
116.06181	1.7
117.06252	1.2
117.07020	19.8
119.04958	9.9
119.08583	12.4
120.08067	1.2
121.06499	17.1
121.10120	4.0
123.08039	1.8
125.05971	1.2
128.06204	6.5
129.07022	11.5
130.07793	9.5
130.29369	1.0
131.04944	8.1
131.08580	23.1
133.06496	6.0
133.10110	9.8
135.04393	4.4
135.08015	3.3
135.11665	2.8
137.05984	16.6
137.09564	1.4
141.06976	8.3
142.07748	2.2
143.04866	1.4
143.08565	9.3
144.05714	2.6
144.09351	5.6
145.05580	1.1
145.06494	11.7
145.10127	71.8
146.06039	2.2
146.07176	2.0
147.04359	2.0
147.08029	3.9
147.11713	5.9
148.08827	3.1
149.05952	3.8
149.09587	2.4
153.06967	2.0
154.07785	5.6
155.04875	1.1
155.06007	2.0
155.08517	3.7
156.05653	1.3
156.09384	2.0
157.06447	4.3
157.10071	4.0
158.07262	7.9
159.04448	8.5
159.08064	12.6
159.10484	1.6
159.11711	28.1
160.05194	4.3
161.06026	4.9
161.09566	3.3
163.03885	0.9
163.07526	4.1
163.11188	70.6
167.08508	1.7
169.06459	3.1
169.10121	14.7
171.08031	2.6
171.11661	4.2
172.05235	1.5
172.08792	4.6
173.06070	7.1
173.09631	100.0
173.12964	2.4
174.05493	3.0
174.06721	3.6
175.07500	4.4
176.04649	1.4
177.05444	3.8
177.09148	3.1
177.12680	1.8
179.08577	1.8
182.07251	2.3
187.07568	9.3
187.11186	60.9
187.14745	2.9
188.04689	1.2
188.08336	2.1
189.09100	12.1
189.12663	3.8
191.03395	2.7
191.07030	7.6
191.10667	6.9
197.05879	5.4
197.09619	7.9
200.04628	3.8
203.07008	6.1
203.10564	1.7
205.06677	1.2
205.08516	2.3
205.10405	1.6
205.12257	11.5
215.07147	16.6
215.10677	56.2
215.14049	2.5
215.17717	1.5
222.08371	1.3
233.08032	18.4
233.11694	48.1
233.15190	11.7
233.18901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03932	2.4
55.01878	5.3
55.05503	4.7
57.03444	1.4
57.07073	1.2
65.03938	1.6
67.05208	0.9
67.05505	8.4
68.99776	1.5
69.03432	5.7
69.07066	8.0
70.17763	2.2
71.05003	7.2
72.08134	1.1
77.03914	1.2
79.05064	1.4
79.05490	15.8
81.03389	2.8
81.07056	9.4
83.04967	3.9
85.02885	1.8
85.06533	2.6
91.05486	28.8
93.07050	12.7
95.04974	10.2
95.06018	1.0
95.08592	2.8
97.02850	1.3
97.06530	10.7
99.03855	1.5
99.04459	22.1
103.05446	3.7
105.04509	1.1
105.07031	37.4
107.04952	16.8
107.08620	6.6
109.02859	1.7
109.06499	3.4
109.10136	1.8
111.04436	1.5
115.04696	0.8
115.05446	5.8
116.06181	1.7
117.06252	1.2
117.07020	19.8
119.04958	9.9
119.08583	12.4
120.08067	1.2
121.06499	17.1
121.10120	4.0
123.08039	1.8
125.05971	1.2
128.06204	6.5
129.07022	11.5
130.07793	9.5
130.29369	1.0
131.04944	8.1
131.08580	23.1
133.06496	6.0
133.10110	9.8
135.04393	4.4
135.08015	3.3
135.11665	2.8
137.05984	16.6
137.09564	1.4
141.06976	8.3
142.07748	2.2
143.04866	1.4
143.08565	9.3
144.05714	2.6
144.09351	5.6
145.05580	1.1
145.06494	11.7
145.10127	71.8
146.06039	2.2
146.07176	2.0
147.04359	2.0
147.08029	3.9
147.11713	5.9
148.08827	3.1
149.05952	3.8
149.09587	2.4
153.06967	2.0
154.07785	5.6
155.04875	1.1
155.06007	2.0
155.08517	3.7
156.05653	1.3
156.09384	2.0
157.06447	4.3
157.10071	4.0
158.07262	7.9
159.04448	8.5
159.08064	12.6
159.10484	1.6
159.11711	28.1
160.05194	4.3
161.06026	4.9
161.09566	3.3
163.03885	0.9
163.07526	4.1
163.11188	70.6
167.08508	1.7
169.06459	3.1
169.10121	14.7
171.08031	2.6
171.11661	4.2
172.05235	1.5
172.08792	4.6
173.06070	7.1
173.09631	100.0
173.12964	2.4
174.05493	3.0
174.06721	3.6
175.07500	4.4
176.04649	1.4
177.05444	3.8
177.09148	3.1
177.12680	1.8
179.08577	1.8
182.07251	2.3
187.07568	9.3
187.11186	60.9
187.14745	2.9
188.04689	1.2
188.08336	2.1
189.09100	12.1
189.12663	3.8
191.03395	2.7
191.07030	7.6
191.10667	6.9
197.05879	5.4
197.09619	7.9
200.04628	3.8
203.07008	6.1
203.10564	1.7
205.06677	1.2
205.08516	2.3
205.10405	1.6
205.12257	11.5
215.07147	16.6
215.10677	56.2
215.14049	2.5
215.17717	1.5
222.08371	1.3
233.08032	18.4
233.11694	48.1
233.15190	11.7
233.18901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1175
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03941	3.1
55.01877	7.0
55.05494	4.4
57.03439	1.5
58.72609	0.9
62.87671	1.0
65.03942	1.2
67.05510	8.5
69.03437	8.5
69.07060	4.7
71.05009	8.4
71.37376	1.0
79.05498	15.1
81.03407	2.1
81.07063	7.1
83.04977	2.4
85.06518	3.1
89.07147	1.5
91.05492	26.6
93.07056	13.0
95.04972	12.1
95.08594	4.1
97.06544	6.7
99.04465	28.3
103.05497	2.3
105.07038	43.4
107.04964	10.8
107.08609	7.1
109.06514	3.3
109.10158	1.3
111.04443	2.3
113.06023	1.6
115.03971	1.2
115.05458	3.8
116.06221	1.2
117.07029	19.0
119.04940	13.8
119.08598	14.5
121.02901	1.2
121.06503	16.7
121.09630	6.7
123.04459	1.4
125.05951	1.2
127.03890	1.0
127.07846	1.0
128.06241	5.4
128.34789	1.2
129.07021	11.3
130.07806	10.8
131.04878	2.5
131.08585	22.3
133.06506	5.7
133.09270	1.0
133.10158	11.0
135.04424	2.9
135.08047	3.1
135.11667	3.6
137.05954	7.1
141.06992	6.6
142.07710	2.4
143.08574	12.9
144.09373	9.3
145.06499	11.6
145.10135	84.1
147.08054	3.8
147.11693	4.5
148.08852	2.2
149.05960	2.8
149.09660	1.7
151.07564	1.6
153.06940	1.8
154.07759	7.1
155.08528	5.1
156.09315	3.1
157.06483	1.4
157.10115	3.4
157.17114	1.4
158.07260	8.4
159.04333	1.2
159.08078	13.5
159.11694	40.4
161.06017	1.8
161.09651	3.4
163.07523	2.6
163.11197	51.7
169.10150	19.4
171.08051	2.0
171.11667	4.3
172.08820	6.4
173.06024	4.0
173.09633	100.0
174.10175	1.6
175.07535	4.9
177.05412	1.1
177.09091	1.8
177.12695	2.2
179.08594	2.6
182.07309	2.7
185.05963	2.0
186.18456	2.1
187.11195	88.6
187.14767	3.6
189.09099	3.8
189.12794	3.6
191.03410	7.4
191.07071	1.2
191.10637	9.4
197.09659	12.3
205.12286	13.5
215.07318	1.9
215.10687	67.6
215.14192	3.3
217.10736	1.1
233.08211	7.6
233.11732	54.5
233.15215	9.6
233.22238	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	233.1174
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
56.96536	0.6
57.03418	0.8
58.06581	1.0
60.08134	2.5
60.08393	0.5
62.24747	0.5
67.05477	1.0
69.25512	2.1
69.25936	2.7
72.08140	0.6
74.57893	0.5
81.03411	0.6
91.05476	2.9
91.97100	0.5
92.05796	1.0
93.07036	0.8
94.07324	0.6
95.04907	0.8
95.08580	0.6
105.06982	2.0
106.98021	0.6
107.04885	0.9
115.05378	1.3
117.06967	1.1
118.06487	1.6
119.08492	0.7
121.06506	1.2
128.06223	4.4
128.53433	0.6
129.07014	5.4
130.07733	0.9
131.04906	0.8
131.08499	2.4
133.06438	0.6
135.07980	0.6
137.05937	1.2
141.06995	2.7
142.07790	0.9
143.04910	0.8
143.08618	2.8
144.05637	1.6
145.06482	8.5
145.10092	0.8
146.06035	12.2
146.07230	1.8
147.07951	0.9
149.06035	0.8
151.07553	4.2
153.07051	2.8
154.07742	1.1
155.08495	1.3
156.05655	1.4
157.05260	0.6
157.06503	10.4
158.07283	5.3
159.04456	0.7
159.08063	12.5
160.08762	1.4
161.05925	2.4
162.06711	1.5
163.07541	0.8
168.05717	2.6
169.05260	0.6
169.06500	6.2
169.07817	1.0
170.07216	1.5
171.08076	7.8
172.08842	25.8
173.05992	19.2
173.09642	4.7
174.05418	15.6
174.06761	3.4
174.10413	11.6
175.07590	3.2
175.11134	0.7
176.08401	2.7
177.09070	2.6
183.07957	1.7
184.08842	15.2
185.05998	6.3
185.09569	1.0
186.06641	1.2
187.07549	5.1
188.08334	59.5
189.09111	6.1
190.09921	3.9
199.07420	1.0
200.08321	13.2
202.09891	3.9
203.10681	46.4
205.08478	1.5
205.12236	14.9
215.10696	23.7
233.11629	100.0
234.12077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1174
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
57.03420	1.0
58.06577	1.0
60.08163	2.8
67.05492	1.4
69.07037	0.8
71.48512	1.3
72.04496	0.7
72.04883	0.5
79.05457	1.1
81.07039	0.6
82.11814	0.5
91.05463	1.8
93.06997	0.8
105.06997	1.1
115.05415	1.4
117.06984	1.5
118.06468	0.8
119.04910	1.1
119.08546	0.7
121.06474	1.1
128.06233	3.0
129.07019	4.3
131.04852	0.8
131.08548	3.1
137.05843	0.8
137.82799	0.6
141.07027	3.0
142.07678	0.7
143.04874	1.0
143.08493	2.6
144.05685	1.5
145.06505	6.0
145.10033	1.7
146.06039	13.4
146.07178	1.6
147.04298	1.5
149.09567	0.8
151.07513	3.5
153.06909	2.1
154.07680	0.9
155.08456	1.6
157.06512	7.4
158.07249	4.6
159.06850	1.0
159.08061	10.9
160.08817	1.6
161.05899	2.3
162.06693	0.8
163.07501	0.8
168.05608	1.1
169.05434	0.5
169.06491	4.7
170.07133	1.6
171.06914	0.7
171.08061	6.7
172.08844	17.4
173.06015	13.7
173.09579	3.7
174.05499	17.2
174.06755	2.5
174.10399	8.6
175.07532	2.9
176.08237	2.1
177.09012	2.4
183.07962	1.9
184.08864	11.8
185.05959	3.8
185.07394	0.7
187.07448	2.6
188.08334	53.5
189.09113	5.8
190.09831	2.7
199.07520	0.9
200.08333	8.5
201.09137	0.9
202.09892	3.1
203.10683	43.9
205.08511	1.1
205.10455	1.0
205.12186	12.6
214.07217	0.7
215.10690	22.3
233.11626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1174
Annotation	Drupanin
Peak:m/z	Relative Intensity
51.75655	0.7
53.03943	1.3
55.01861	2.1
55.05516	1.6
57.03434	1.5
66.57207	0.6
67.05487	2.8
67.24802	0.7
68.99796	0.9
69.03414	2.3
69.07078	4.5
69.28876	1.1
69.29266	5.5
71.04981	2.1
77.03930	0.7
79.05498	11.6
81.03403	1.8
81.07064	3.6
83.04977	2.0
85.06496	0.8
86.20959	0.6
87.00826	1.0
91.05487	10.5
93.07060	7.5
93.27868	0.6
94.32996	0.7
95.04981	3.4
95.08595	1.6
97.06541	4.4
99.04446	3.9
103.05434	1.2
105.06315	0.8
105.07038	16.7
107.04965	15.0
107.08600	3.6
109.02873	0.7
109.06521	2.4
110.10516	0.9
115.05449	2.1
116.06239	0.7
117.07025	10.8
119.04946	4.3
119.08585	7.3
121.06514	8.6
121.10174	1.6
123.85984	0.7
128.06200	1.6
129.06998	2.5
130.07785	5.8
131.04918	1.6
131.08572	5.5
133.06467	2.7
133.10130	2.9
135.04398	1.1
135.08078	1.4
135.11667	2.5
137.05983	6.9
141.07008	1.9
143.04892	0.8
143.08591	3.9
144.09332	1.7
145.06509	3.6
145.10133	49.9
147.04425	0.9
147.08038	1.2
147.11714	8.5
148.08858	2.7
149.05994	1.1
154.07755	1.2
155.08557	1.6
157.10216	1.5
158.07263	2.5
159.04399	1.5
159.08043	3.7
159.11726	7.2
161.06041	1.5
161.09657	1.0
161.13298	0.8
163.11191	74.3
167.08658	0.7
169.06479	0.9
169.10112	3.8
171.11746	0.9
172.08792	1.4
173.06041	2.5
173.09634	100.0
173.82565	0.6
179.08557	1.0
182.07210	0.8
187.07570	1.3
187.11191	14.7
189.12686	3.0
191.03484	1.4
191.10693	4.7
195.77994	0.7
197.05949	1.0
197.09596	3.1
197.13271	0.7
205.08571	1.0
205.12263	1.8
215.07193	3.8
215.10661	12.1
233.08133	3.6
233.11696	20.0
233.15405	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	233.1175
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
55.05505	1.0
57.03438	1.1
57.07104	0.7
58.06598	2.5
60.08175	4.9
65.03927	0.9
67.05502	2.6
69.03439	1.1
69.07069	1.2
71.05000	0.8
71.52693	1.0
73.00894	0.6
79.05484	1.7
81.07046	2.1
83.04974	0.6
91.05486	6.1
93.07043	1.9
95.04980	1.1
95.08591	1.8
100.11243	0.8
103.05479	1.6
103.88303	0.6
105.07042	5.0
107.04945	1.9
107.08590	1.4
109.06563	1.1
110.47330	0.6
115.05447	2.3
117.07014	4.1
118.06516	3.4
119.04967	1.3
119.08611	3.6
121.06488	2.5
121.10127	1.0
128.06221	4.6
129.07028	7.3
130.07791	1.3
131.04932	2.0
131.08620	5.5
133.06499	1.1
133.10115	2.2
135.04434	1.5
135.08087	1.7
137.05978	1.6
141.07001	3.0
142.07764	1.2
143.04915	1.5
143.08580	3.4
144.05730	2.3
144.09239	1.0
145.06512	9.8
145.10153	4.5
146.06029	29.1
146.07199	1.4
147.04401	2.8
147.08093	1.9
147.11768	0.8
149.05998	1.2
151.07591	3.9
153.07033	2.0
154.07780	0.9
155.08507	1.2
156.04544	1.3
156.05698	1.2
157.06488	10.7
158.07297	6.4
159.04445	1.3
159.06895	0.9
159.08072	13.0
159.11713	2.4
160.08859	2.3
161.05992	3.2
162.06773	1.2
163.07611	1.5
163.11182	2.2
168.05707	1.4
169.06488	6.5
170.07274	1.9
171.08072	8.1
172.05238	0.7
172.08849	21.1
173.04875	0.8
173.06006	18.3
173.09599	7.1
173.13242	1.4
174.05521	41.5
174.06781	3.2
174.09084	4.0
174.10439	9.8
175.07571	2.9
176.08299	2.3
177.05357	0.7
177.09140	2.9
183.08029	2.3
184.08818	11.2
185.05969	6.1
185.09700	0.9
186.06754	1.3
187.07562	4.8
187.11118	3.8
187.14841	1.3
188.08348	58.5
189.09131	7.2
190.06358	0.8
190.09872	2.2
191.03407	0.8
191.10655	1.6
199.07545	0.8
200.08339	8.7
202.09920	4.7
203.10695	48.0
205.08669	3.1
205.10324	0.6
205.12227	12.5
215.07158	1.4
215.08675	1.4
215.10699	25.5
215.14133	1.4
233.08366	5.1
233.11798	100.0
233.19002	1.4
234.12033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.1
55.01863	5.3
55.05511	2.2
56.05023	3.2
56.96571	2.7
57.03438	5.3
57.07063	1.7
58.06591	2.4
58.90840	1.5
58.99581	2.0
60.08168	8.0
67.05470	1.6
69.03437	15.1
69.07074	2.6
70.02954	2.7
70.06596	7.4
71.05000	28.8
71.51746	2.5
72.04535	3.2
72.08163	7.0
73.02906	3.4
74.06089	11.4
79.05537	2.6
81.03423	14.8
81.07067	1.7
84.04510	2.7
84.08149	4.3
85.01119	1.8
85.02924	13.9
86.00669	7.6
86.09714	7.6
86.99065	12.0
88.31754	1.6
89.06052	8.6
91.05489	5.3
93.07055	2.9
95.04953	3.7
95.08684	2.0
97.02906	100.0
97.06551	1.9
98.97579	2.1
99.04474	27.8
103.05479	2.0
105.07035	4.6
107.04980	2.3
107.08622	2.6
109.02147	2.4
109.02894	48.9
110.07171	2.8
112.02218	6.6
115.05447	1.9
116.01722	2.6
117.07027	6.5
118.06548	6.3
119.04980	1.7
120.08128	2.2
121.06552	1.8
125.11555	1.8
127.03942	25.0
129.07027	4.6
130.03242	2.7
131.04964	4.6
131.08574	4.1
132.10233	2.3
133.06540	1.8
136.06221	2.6
137.09680	1.9
142.63033	2.1
143.02788	6.0
144.05739	2.6
145.04979	7.6
145.06503	9.4
145.10101	2.1
146.06023	37.6
149.05914	2.3
154.07837	1.9
159.08098	4.5
159.11754	2.0
161.02995	1.9
161.06033	3.6
171.12105	5.1
173.06038	14.1
173.08154	2.3
173.09628	6.2
174.05516	56.0
174.06633	3.0
176.89767	1.6
177.05421	2.3
177.09171	2.0
187.07584	7.9
187.11256	2.5
187.14580	2.0
188.07210	1.7
189.03302	13.3
189.09138	4.5
203.07082	2.1
205.10312	1.9
209.97487	1.9
210.96942	5.3
215.04921	8.9
215.07040	4.0
215.10730	6.1
215.14494	2.2
217.10728	2.4
228.98012	4.9
233.04289	2.6
233.07901	11.3
233.10115	2.4
233.12973	58.0
233.15346	7.2
233.19313	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	233.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08174	7.2
67.05525	2.0
69.72054	1.1
76.90572	1.4
79.05507	1.4
81.07079	2.7
91.05506	3.7
93.07059	2.8
95.08632	2.1
97.44482	1.2
98.21552	2.9
103.05561	1.3
105.07040	1.8
115.05474	31.6
117.07010	6.1
118.06581	2.6
119.08611	2.8
128.06270	2.3
129.07050	8.3
131.08572	2.6
132.08929	2.0
135.04446	6.9
143.04951	40.1
145.06496	24.4
145.10292	1.7
146.06027	34.2
146.07091	2.3
149.02431	2.3
155.04988	1.5
155.06120	3.3
157.06554	5.5
161.05984	2.5
165.09341	1.4
173.06004	100.0
174.05530	48.6
174.09180	1.6
175.07677	1.9
177.05519	1.5
185.06000	54.1
186.06816	2.8
187.07541	6.9
203.07121	3.4
203.10721	3.5
210.75815	1.3
215.06931	6.7
229.19104	1.9
233.08073	4.0
233.12965	48.9
233.17229	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	233.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15754	3.1
60.08157	12.6
62.70537	2.8
71.53611	4.9
88.95605	2.8
91.05468	5.6
93.07039	4.5
115.05463	27.2
117.07034	8.8
118.06557	8.0
119.08602	3.5
121.06556	3.4
129.07034	7.4
131.08624	6.0
131.61824	3.2
133.96118	3.3
135.04390	7.6
143.04938	40.5
145.06505	24.8
145.10130	4.6
146.06017	66.8
147.11693	3.8
173.04836	1.9
173.05988	91.6
174.05508	100.0
174.09157	4.8
177.05539	3.8
185.05972	51.4
187.07602	6.5
215.07063	4.4
215.14473	3.5
218.01955	3.5
233.04512	3.7
233.07874	6.8
233.12975	97.9
233.15393	13.4
233.19014	7.3
247.27600	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	233.081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63598	1.5
57.07068	1.5
58.06600	2.7
60.08178	9.1
62.53330	1.6
67.05495	2.0
69.07070	2.0
70.06565	2.1
71.53024	2.5
81.03409	1.7
81.07077	2.7
91.05470	3.5
93.07040	3.2
93.55139	1.7
95.08603	2.8
103.05457	2.8
105.07037	3.7
107.04942	2.2
107.08577	2.8
109.10165	1.8
115.04700	2.1
115.05463	29.7
117.07028	7.3
118.06567	4.1
119.04921	2.2
128.06241	4.0
129.07039	11.1
131.04883	2.0
131.08542	1.8
135.04401	8.6
143.04936	36.9
145.06491	27.4
146.06007	42.5
147.04398	3.6
149.02322	3.2
155.06075	3.6
157.06462	7.8
159.11710	1.9
161.06018	2.3
168.89142	1.5
173.05995	100.0
174.05502	59.4
174.09023	1.9
177.05522	2.0
177.09113	2.4
178.06230	2.4
185.05983	63.3
186.06735	5.5
187.07484	7.4
187.14809	2.6
203.07027	3.1
204.10939	1.9
215.06915	9.0
218.01979	1.6
233.08072	6.7
233.13013	54.2
233.15370	4.4
233.19005	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	233.0811
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
53.03934	0.8
55.01874	4.3
57.07091	0.8
67.05502	2.8
69.07081	3.8
70.83435	1.0
70.83749	0.9
71.04998	0.9
76.20198	0.7
79.05521	6.6
81.03413	2.0
81.07029	0.8
82.91074	0.7
83.04969	2.2
91.05492	5.4
93.07043	1.2
95.04402	0.8
95.04974	1.6
97.06545	18.2
102.38333	0.7
103.05495	1.8
105.07037	4.2
107.04955	3.1
107.08551	0.9
109.06519	1.0
115.05463	28.4
117.07031	7.0
118.01034	0.6
118.06552	0.6
119.04976	3.2
119.08598	3.0
121.06508	1.4
121.10132	1.0
128.06256	5.0
129.07025	18.2
131.04922	2.1
131.08551	1.6
133.06499	2.3
133.10092	1.0
135.04430	33.5
137.05986	13.0
139.05441	0.7
143.04936	27.8
143.08592	1.1
144.05707	1.1
145.06499	16.5
145.10104	2.3
146.06067	1.2
147.04442	1.8
149.02345	5.3
155.04935	1.1
155.06065	2.5
156.05702	2.2
157.06519	18.8
158.07245	0.7
159.04433	1.9
159.08026	1.2
159.11713	1.1
161.05975	3.7
163.11223	1.6
167.04936	0.9
169.10164	0.9
172.05202	1.6
173.06001	100.0
173.09532	1.9
173.13293	1.1
175.07571	1.3
176.14354	1.7
177.14757	4.4
179.08575	1.2
182.07483	0.8
185.06003	55.3
186.06763	6.7
187.07564	15.1
187.11229	2.8
189.05405	0.8
189.09152	1.4
190.06215	0.9
191.03421	8.6
191.14345	0.8
197.06004	4.0
197.09647	2.3
202.06299	0.8
203.07060	3.7
205.08612	1.5
215.07068	16.2
215.10555	4.9
215.14230	1.1
218.05714	1.8
233.08073	19.8
233.11595	12.0
233.15242	5.5
233.20930	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	233.081
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
55.01858	1.4
60.08150	4.4
69.99795	1.2
71.52644	1.3
78.23663	1.2
83.04989	2.7
88.08714	1.2
91.05476	3.1
95.08583	1.3
103.05476	3.1
105.07057	1.9
115.05458	30.6
117.07043	8.9
118.06574	2.2
121.06483	1.9
128.06215	5.5
129.07024	15.6
131.08542	1.5
135.04442	7.8
143.04929	33.6
145.06482	21.8
145.10040	1.4
146.06030	21.0
149.02374	1.7
155.04930	1.6
155.06058	2.7
156.05606	1.7
157.06491	13.5
158.07239	1.5
159.08118	6.1
161.06003	2.8
165.09116	8.3
171.08073	3.5
172.05217	2.3
172.08804	7.5
173.05994	100.0
173.09613	2.5
174.05498	22.1
174.06859	2.5
174.10406	4.2
175.07510	1.8
177.09090	2.2
184.08884	2.6
185.05997	53.7
186.06696	4.6
187.07559	9.6
187.14825	1.3
188.08348	23.3
189.09126	3.5
190.09908	2.0
195.30573	1.4
197.05977	1.7
200.08334	3.4
203.07010	2.1
203.10678	21.8
205.12360	6.6
215.07040	6.8
215.10704	8.0
215.14148	1.6
233.06140	1.9
233.07884	2.5
233.09561	2.9
233.11810	31.8
233.15471	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.081
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
50.65131	1.2
53.03957	1.3
53.74502	1.3
55.01869	4.1
55.05508	1.8
67.05508	4.3
69.03433	1.5
69.07055	4.3
69.17352	13.5
78.30770	1.3
79.05504	6.5
81.03419	2.0
83.05000	1.7
85.70999	1.2
91.05496	9.4
93.07058	3.2
95.04951	2.4
97.06548	18.7
99.04453	1.8
103.05472	3.6
105.07045	5.2
106.51723	1.4
107.04964	4.4
107.08620	1.4
109.60168	1.3
115.05463	28.9
117.07018	8.0
119.04942	3.5
119.08598	4.8
121.06539	2.5
128.06258	6.8
129.07033	22.8
131.04930	3.1
131.08569	4.1
133.06491	1.2
133.10117	1.2
135.04425	26.2
137.05992	13.9
143.04948	26.4
145.06506	17.4
145.10146	5.1
146.06029	2.5
147.04468	2.8
147.08002	1.6
149.02396	6.3
151.03954	1.2
155.06061	3.2
156.05734	3.9
157.06520	17.8
159.04419	2.2
159.08078	2.1
159.11713	1.4
161.06015	4.0
163.11159	1.4
172.05266	2.2
173.05998	100.0
173.09624	4.2
173.13252	1.4
174.05493	2.0
175.07617	2.8
185.06006	53.3
186.06764	6.9
187.07555	19.5
187.11113	2.5
187.14885	1.4
189.09114	2.3
191.03369	7.1
191.14366	1.4
197.06046	4.3
201.05412	1.5
202.06297	3.2
203.07054	7.1
204.00494	1.3
205.08629	3.2
215.07068	19.9
215.10667	4.9
215.14334	2.3
233.08086	27.0
233.11441	7.4
233.15263	8.7
233.20932	1.9
253.94295	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0811
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
55.01876	2.7
58.00975	1.4
72.18555	1.4
82.17258	1.5
93.07034	1.9
95.04993	1.7
95.08659	1.5
107.08566	1.8
115.05473	25.8
117.07023	7.1
128.06223	2.8
129.07008	13.2
130.21747	1.6
131.05011	1.6
135.04436	13.7
143.04936	23.4
145.06506	13.6
146.06056	8.2
149.02393	3.6
155.06075	2.7
157.06487	14.4
161.06007	2.5
163.94452	1.6
173.06007	100.0
174.05499	5.6
177.09190	2.9
185.06004	43.3
186.06776	6.1
187.07562	10.8
197.05936	3.3
203.07047	2.7
203.83400	1.7
215.06947	11.1
229.13834	2.2
233.07803	7.4
233.11774	4.6
233.13138	2.8
233.15369	3.7
233.19011	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	233.0809
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
50.68041	1.6
55.01878	2.2
57.17511	1.3
60.08156	6.7
64.47191	1.6
71.53129	1.9
91.00313	1.8
91.05498	3.0
93.07092	2.6
95.08590	1.4
106.91083	1.3
115.05461	27.5
117.07018	5.1
118.06596	2.7
119.08615	2.0
128.06215	4.5
129.07025	16.7
131.04860	1.8
131.08572	2.0
135.04405	12.3
143.04935	25.4
145.06490	17.4
146.06023	33.4
147.11711	2.6
149.02330	2.2
155.06041	2.5
156.05707	3.3
157.06523	15.3
158.07281	1.9
159.11600	1.5
161.06065	2.4
169.71457	1.4
173.06003	100.0
174.05511	48.8
175.07550	1.4
177.05473	1.9
185.05997	46.9
186.06792	5.4
187.07549	13.4
194.90479	1.5
197.06003	3.3
201.09137	2.3
203.07051	3.0
215.07045	12.3
233.08112	6.4
233.13011	45.0
233.15369	1.5
233.19098	4.1
233.39680	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.081
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
52.57336	0.9
55.01876	2.3
60.08169	8.5
67.05519	1.2
70.97017	2.1
72.39828	1.0
78.19109	1.0
79.05524	1.4
81.07032	1.1
83.05019	1.4
88.60596	1.1
91.05506	2.8
95.08645	1.4
103.05513	1.5
107.08615	1.2
110.43107	1.0
115.05462	24.4
117.07066	4.7
118.06567	5.9
121.10194	1.4
128.06253	7.1
129.07022	18.8
129.07925	1.5
131.04857	1.0
131.08559	1.2
132.04521	1.6
135.04419	17.0
135.05278	1.3
143.04938	24.4
143.05994	1.9
145.06490	12.7
146.06020	43.0
155.06050	2.3
156.04587	1.1
156.05756	4.5
157.06502	17.6
159.04463	4.0
160.03952	1.4
161.06036	2.5
162.33801	1.0
172.05299	1.3
173.05994	100.0
174.05521	62.8
174.09018	1.3
178.06284	2.1
185.05986	46.2
186.06796	8.0
187.07555	16.0
187.14914	1.3
189.09123	1.9
197.06087	3.3
203.07053	3.1
215.07030	17.6
215.08798	1.4
233.07889	10.0
233.12958	53.3
233.19099	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	233.0809
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
51.37930	0.5
52.90946	0.5
53.90051	0.5
55.05499	1.1
56.05482	0.5
59.19994	0.5
67.05511	7.1
69.07068	1.0
71.51942	0.7
72.63895	0.4
79.05479	1.6
80.94705	0.5
81.07069	7.2
91.05486	1.5
93.07082	2.6
93.07559	0.5
95.08618	6.8
103.05456	2.9
107.08613	1.0
109.10199	2.6
115.05462	32.6
117.07025	7.4
120.09586	0.5
121.10152	1.5
123.11707	1.0
127.05412	1.2
128.06242	1.6
129.07021	6.2
133.10124	0.6
135.04410	2.2
135.11687	1.2
137.13235	0.6
143.04935	48.3
145.06494	28.1
145.07669	0.9
146.06039	2.3
147.11700	0.6
149.02371	0.9
149.13222	0.8
155.04890	2.0
155.06056	3.6
156.05661	0.6
157.06493	3.6
159.08064	0.9
160.05179	0.6
161.05991	1.8
172.05232	1.3
173.05998	100.0
174.05388	2.6
175.07529	0.8
176.08408	0.6
177.05527	1.5
177.09106	0.6
178.06250	1.7
184.07562	0.7
185.05998	60.0
186.06769	1.0
187.07565	2.1
191.06967	1.0
203.07042	3.8
205.12251	1.3
215.06966	2.5
215.10692	0.6
218.07240	0.6
233.08090	2.0
233.09813	1.0
233.11746	1.5
233.13147	1.1
233.15378	1.4
233.19044	3.2
233.22643	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	233.0809
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
52.90953	0.9
60.08162	1.3
69.16291	4.3
69.16715	5.6
84.46821	1.0
103.05441	1.7
109.56602	0.9
115.05463	31.0
116.05880	0.8
117.07030	7.0
118.58147	0.8
128.06233	2.6
129.07039	9.2
131.04999	1.0
134.31720	1.0
135.04456	8.4
141.45457	0.9
143.04936	44.3
145.06496	27.2
146.06029	7.2
149.02391	1.7
151.07484	1.8
155.04942	1.3
155.06044	3.2
157.06525	5.6
161.06046	1.7
173.06003	100.0
174.05481	11.0
185.05997	59.9
185.07686	2.1
186.06693	1.6
187.07574	4.6
190.07718	2.2
197.05891	1.8
201.86168	0.9
203.07014	2.6
215.07042	2.7
218.07199	3.9
224.74011	1.1
233.05968	2.1
233.07808	1.9
233.09799	5.9
233.12917	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	233.0809
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
53.32060	0.8
55.01892	0.7
58.06598	2.1
60.08158	2.2
71.53730	1.3
71.65225	0.7
79.05489	1.2
80.76690	0.8
81.07075	0.9
83.04927	1.0
83.57407	0.8
91.05479	1.6
93.07070	1.5
103.05456	2.1
105.07045	1.5
107.08613	1.0
115.05468	34.8
117.07026	8.0
118.06567	1.7
119.08612	1.5
121.10185	1.2
121.61035	0.8
128.06242	2.5
129.07011	8.1
131.04927	1.0
131.08586	1.2
135.04448	6.2
143.04932	44.1
145.06496	27.7
146.06026	13.9
146.07091	1.2
149.02332	1.9
151.07550	1.6
155.04909	1.3
155.06047	4.6
157.06503	5.8
159.11755	2.0
161.06039	2.2
172.05235	1.3
173.06006	100.0
173.13284	1.0
174.05518	21.7
174.06885	1.5
174.09279	1.1
175.07722	1.0
184.07675	0.8
185.05995	56.0
186.06702	2.1
187.07637	4.0
188.08339	1.6
189.07076	0.9
190.07648	1.5
197.06029	1.5
202.07784	1.3
203.07002	5.3
215.06966	3.9
215.10628	0.9
215.17871	1.4
218.07309	4.7
227.20442	0.8
233.05904	1.7
233.07585	1.2
233.09647	13.9
233.12878	20.4
233.15353	1.3
233.19025	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
55.83240	0.9
62.35091	0.7
79.05504	1.2
81.07096	0.9
88.53121	0.7
91.05482	0.9
93.07061	0.7
95.08603	0.8
98.20737	2.0
103.05472	1.8
105.07018	1.3
115.05463	27.8
115.06281	1.6
117.07026	7.1
121.06535	1.1
127.05436	1.0
128.06248	3.2
129.07024	10.0
131.04953	1.5
131.08604	2.0
135.04428	4.6
141.07005	1.7
143.04939	37.4
143.08604	1.6
145.06496	25.8
145.10141	1.1
147.08044	1.1
149.02347	1.6
151.07582	2.5
153.06964	1.9
155.04979	1.5
155.06088	4.4
155.08569	4.1
156.05730	1.6
157.06519	8.6
158.07303	4.1
159.08066	7.3
160.08835	0.8
161.05977	2.5
168.05736	1.3
169.06499	2.5
170.07330	1.1
171.08095	4.3
172.05385	0.9
172.08841	10.6
173.06003	100.0
173.09615	14.9
174.06737	2.9
174.10402	5.6
175.07541	1.9
176.08371	0.9
177.09192	2.1
183.08090	1.1
184.08867	7.9
185.05995	54.9
186.06721	2.5
187.07510	4.1
188.08339	32.0
189.09161	5.3
190.09920	1.5
200.08337	5.5
201.09229	1.0
202.09920	2.2
203.07048	2.7
203.10686	27.5
205.06407	1.0
205.08412	1.2
205.12265	7.3
215.07069	2.9
215.10690	13.0
233.08102	4.5
233.11732	61.2
233.15466	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	233.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	4.1
56.96561	1.0
57.98796	0.9
58.99588	10.0
60.60636	0.7
61.01146	2.0
65.66523	0.7
68.05026	5.0
69.03427	2.0
69.93703	3.1
70.02956	13.0
70.06586	1.9
71.04980	0.9
72.04520	9.9
72.08128	1.6
73.73190	0.8
74.02438	1.1
74.06089	5.7
76.02225	2.5
76.03999	6.1
80.05026	1.9
84.04504	2.2
84.08096	0.9
85.01138	17.3
85.02906	7.2
86.00658	48.9
86.03245	2.7
86.09698	3.0
86.99059	76.0
88.02200	2.0
91.05476	0.9
96.04502	2.4
97.02888	1.0
98.21457	0.8
98.97551	1.2
99.05569	0.9
102.03774	7.1
102.05551	4.3
112.02200	39.1
114.00101	2.2
114.03757	1.0
115.03267	0.9
116.01675	16.0
126.03712	1.7
127.03974	1.0
129.07007	1.0
130.03229	14.1
130.04967	4.2
132.01140	2.7
132.10149	1.2
140.01643	2.7
141.05501	1.0
143.02756	49.4
144.01140	3.1
145.06325	1.7
146.05927	0.8
151.72137	0.8
158.02727	7.1
161.01183	0.9
169.04321	12.7
170.11699	1.7
171.02252	9.5
171.12170	6.1
173.05997	1.2
174.05563	1.0
181.06157	1.0
189.03297	100.0
215.04869	46.6
219.11490	0.9
233.05876	2.5
233.12827	1.1
233.15437	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	233.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40412	0.7
54.99531	0.7
55.01890	0.8
56.96571	16.4
58.73888	0.7
61.41333	0.8
82.99812	5.5
84.96033	1.9
84.96480	0.8
98.91969	0.8
98.97575	2.3
100.98533	1.0
100.99161	6.8
101.00890	34.1
107.59521	0.8
110.97588	4.3
112.89606	3.9
114.89330	3.1
115.02445	8.5
116.98530	0.8
119.00188	1.4
119.01937	34.5
126.97042	1.5
127.02422	19.2
128.98627	3.7
130.22771	0.8
131.01886	2.0
133.03493	14.3
137.02980	3.1
143.01915	9.2
144.98123	3.3
145.03477	100.0
146.03676	1.0
146.99663	3.6
151.04594	1.5
157.03476	19.6
161.02971	16.6
162.99176	1.6
163.04530	18.7
163.36765	0.8
165.00714	2.2
168.05029	1.6
172.97545	2.2
173.02977	28.7
175.04543	28.9
184.04570	1.2
185.02910	1.8
186.96674	0.8
187.04541	4.8
188.90154	0.8
190.98636	9.0
191.04016	70.8
203.03961	1.2
205.05461	0.9
208.99690	10.2
214.05634	1.4
215.04044	1.6
232.99989	1.1
233.05084	36.0
238.87280	0.7
251.06117	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	233.0447
Annotation	5-Hydroxyxanthotoxin
Peak:m/z	Relative Intensity
54.95891	0.3
58.06589	0.3
60.08154	1.3
62.47851	0.3
67.05496	1.4
69.07052	0.7
69.69245	1.3
73.03806	0.3
78.04703	1.1
78.78094	0.3
79.05489	0.5
81.07065	2.0
91.05479	0.6
93.07034	0.5
95.01343	0.3
95.08596	1.1
98.20824	0.3
103.05476	0.4
105.03394	0.4
105.07030	0.5
106.04189	1.7
107.04947	0.3
107.08606	0.7
109.10143	0.8
115.05434	0.7
116.02567	0.4
117.05780	0.4
118.06531	1.1
119.08511	0.3
121.06479	0.5
121.10150	0.5
131.04948	0.6
134.03653	7.1
135.04410	0.4
135.11659	0.5
139.00258	0.7
143.04973	0.5
145.06491	0.7
146.06013	9.0
147.04416	1.3
150.27101	0.4
158.33640	0.3
159.04425	0.4
161.02333	0.8
161.05899	0.4
162.03143	10.6
163.03853	0.5
172.01541	1.3
173.02365	3.3
173.05998	1.7
174.05525	11.4
174.09125	0.4
177.05453	1.4
185.05945	0.9
187.03917	0.5
190.02606	4.7
200.01080	0.6
202.52438	0.7
210.03667	1.0
211.52985	1.3
217.01318	0.4
218.02121	97.8
219.02460	1.0
219.04245	0.6
233.04468	100.0
233.12912	10.6
233.19002	0.8
233.22588	1.7
234.04646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	44.7
59.67135	3.0
67.28079	2.5
70.06580	8.5
71.50941	3.2
71.51340	4.2
72.08146	5.7
79.60979	2.4
82.99844	7.6
84.08147	23.6
84.96047	5.0
85.08485	5.8
86.09710	15.2
87.98318	2.7
91.47718	2.5
98.97569	11.5
99.74897	2.8
100.99168	17.3
101.00896	37.7
110.97581	13.9
115.02444	10.3
116.07106	4.2
116.98631	2.9
119.00138	3.8
119.01932	42.5
126.97057	4.5
127.02440	24.6
128.98604	15.1
130.08629	14.3
131.08968	2.8
131.65189	3.4
133.03470	19.2
137.02985	3.3
143.01903	18.0
144.98093	9.8
145.03479	100.0
146.99658	9.5
151.55884	4.1
157.03465	18.8
161.02979	25.1
163.04535	16.9
165.00749	5.3
172.97581	8.0
173.02943	33.1
175.04501	26.3
187.04575	5.4
190.98605	25.6
191.04012	74.1
208.99721	25.8
212.22281	2.7
215.04102	5.2
232.04906	3.5
233.05106	47.8
233.10371	4.1
251.06314	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	232.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.5
58.06590	2.1
60.08159	1.2
63.32618	1.0
64.20123	1.3
67.05508	5.0
69.03433	10.1
70.21372	3.6
79.05488	1.2
81.07074	1.2
85.06537	2.0
91.05489	1.4
93.07050	3.1
95.04947	3.0
95.08608	14.2
107.54545	1.3
109.10161	14.1
119.08606	2.6
121.36394	1.0
123.08027	2.7
137.09625	46.7
139.07556	20.5
146.06012	4.1
147.08018	2.1
154.96407	1.1
155.10690	8.4
164.64177	1.0
165.09128	100.0
169.12242	1.8
173.06006	1.4
174.05493	6.1
174.12779	2.8
183.10138	8.5
197.11771	14.2
201.11227	15.6
215.12794	15.4
232.07303	1.4
232.17062	2.4
233.12912	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	233.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26312	1.2
54.95011	1.0
55.01880	2.8
55.05501	1.7
56.96572	62.0
57.03454	5.3
60.04516	1.2
60.95843	2.2
61.02933	11.8
69.03433	8.1
69.07079	6.2
69.80254	3.2
69.80663	2.3
70.06599	21.4
70.98125	7.0
71.01369	1.3
71.06927	2.4
71.95268	2.0
72.08163	2.1
72.96030	1.8
73.02911	6.8
74.06081	4.0
74.97600	1.6
81.03423	4.0
81.04557	1.8
82.05327	2.1
82.99849	3.4
83.05013	1.9
84.04517	1.9
84.08156	32.1
84.96053	9.2
85.02904	11.2
85.08491	4.8
86.09715	100.0
87.04450	1.2
87.10072	1.1
88.99172	1.6
91.03919	1.4
96.74869	1.1
97.01400	1.7
97.02895	9.2
97.06555	1.6
98.97594	62.4
99.04456	2.1
99.97933	3.8
100.97186	1.3
100.99160	10.7
101.00890	22.5
101.95036	4.2
101.97195	1.8
102.00973	2.3
102.05562	1.4
102.96885	3.6
103.02396	1.5
108.05591	3.5
109.02853	2.2
110.01324	1.0
110.07177	4.5
110.97581	20.0
111.07433	1.2
112.99144	9.1
113.00891	2.4
113.02445	2.0
113.03462	1.8
114.05541	1.0
115.00703	3.0
115.02431	12.3
116.07110	3.6
116.98643	19.6
119.00175	1.5
119.01057	1.5
119.01934	28.8
120.02036	3.0
120.06594	5.3
121.01637	1.5
124.95469	1.5
124.99128	2.4
125.01054	1.4
125.07130	3.3
125.57010	1.2
126.97044	4.0
127.00682	2.9
127.02416	4.0
127.03941	3.7
127.08688	2.8
128.97733	1.2
128.98625	15.5
130.04993	1.0
130.08661	23.8
130.10495	1.0
130.93356	1.9
131.00172	8.1
131.01848	6.1
131.09026	2.0
132.10223	2.0
133.01826	1.5
133.03482	35.1
134.99660	3.8
136.05081	5.7
137.02963	3.4
137.07094	1.2
139.04236	4.2
140.98640	2.8
142.96489	1.3
143.00226	5.3
143.01903	7.6
143.77682	1.1
144.98117	5.1
145.01727	3.7
145.03477	21.1
145.04794	1.7
145.05009	2.5
146.99677	8.9
147.03178	1.5
147.05086	1.5
149.01219	2.9
151.04547	4.4
152.05006	2.8
154.96516	2.9
155.01942	1.8
156.98172	1.7
157.03510	15.6
158.99683	8.6
159.05107	3.1
160.08751	1.5
161.01213	4.9
161.02968	12.5
161.05583	3.0
162.99210	4.1
163.02788	3.0
163.04529	4.7
163.06299	1.1
165.00746	3.3
168.03635	1.7
168.98003	2.3
169.03506	1.1
170.99644	3.3
172.94334	5.6
172.97627	10.6
173.01248	7.4
173.03003	19.5
174.99126	1.6
175.04520	13.2
176.03394	2.9
177.00694	3.8
177.11427	4.9
181.36630	1.0
183.01625	1.7
184.02953	1.0
185.02979	1.4
186.98918	1.9
187.00363	4.5
187.02776	2.7
187.04550	3.6
187.09984	1.8
188.96953	1.2
189.00723	3.6
189.02470	2.2
189.04347	1.2
190.95412	2.4
190.98648	20.1
191.02277	7.7
191.03990	36.6
196.04175	1.6
199.04433	1.1
201.00732	4.0
201.02409	1.1
204.10716	1.1
205.01558	2.8
205.10866	19.0
207.01793	1.3
207.03583	1.2
208.99709	16.4
209.03337	2.1
213.03320	2.2
214.95438	2.2
215.04144	9.0
215.09467	3.3
215.13936	2.3
219.01804	8.1
229.01903	1.8
232.96521	7.8
232.99663	4.1
233.01425	2.2
233.05132	39.1
233.10367	32.2
233.15085	4.4
233.18753	3.7
237.02919	7.5
250.97652	3.2
251.00584	2.4
251.04332	1.4
251.06390	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79510	0.2
56.96577	1.0
58.06611	0.3
65.03947	0.5
65.26992	0.2
69.07076	8.0
69.18292	0.8
69.18711	1.4
70.06576	0.2
71.04990	2.1
72.08189	0.3
80.57672	0.2
85.19259	0.2
91.05496	6.8
93.07047	1.3
95.04995	0.5
98.21465	0.5
103.05479	1.2
105.07036	0.4
115.05503	0.3
117.07034	0.2
118.06634	0.3
119.04958	23.0
121.06520	7.9
122.06052	4.0
122.06905	0.4
131.06107	0.3
137.06039	0.2
146.05991	0.5
147.04425	100.0
148.04800	0.4
157.91789	0.2
158.03165	0.4
164.07083	87.0
165.07417	0.3
169.53864	0.2
173.09302	0.3
174.05434	0.5
174.12827	0.5
177.05539	1.2
178.06250	1.4
179.00179	0.3
189.08772	0.6
191.07111	0.3
197.01219	0.3
202.09460	0.4
204.11018	0.5
220.02882	1.3
232.10817	1.4
232.13393	1.9
232.16971	0.6
232.20676	0.7
232.25430	0.6
233.11824	0.8
238.03900	0.9
249.57449	0.2
253.95370	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92166	0.4
55.52037	0.4
56.05056	0.4
61.11380	0.4
62.78601	0.3
64.23304	0.4
69.03426	1.5
69.07073	3.7
69.79059	0.8
69.79460	1.6
70.02953	0.9
70.03764	0.9
70.06611	0.7
78.03932	0.4
84.08144	1.6
86.02456	0.5
86.09717	51.2
87.00839	4.8
88.03998	3.8
93.07058	0.6
97.06505	0.5
98.02428	1.4
98.03246	0.5
98.21481	0.8
101.00867	0.7
104.03479	13.9
107.04961	1.2
107.08559	0.5
109.02850	0.5
112.03983	13.4
112.07585	2.3
116.03470	18.9
117.07077	0.4
119.01913	0.4
119.32388	0.4
119.62543	0.4
119.69657	0.4
127.03974	0.4
130.05032	0.7
130.08626	0.6
131.04971	0.5
131.08638	0.6
137.06004	0.6
143.01891	0.9
144.10207	1.2
145.10086	0.4
146.11769	2.7
154.08658	6.5
159.11646	0.4
161.03014	0.6
172.09706	100.0
173.09790	1.5
175.07736	0.5
182.08092	0.6
200.09230	3.9
211.08963	0.8
214.10748	1.1
219.13744	0.7
232.11798	1.7
232.13887	0.7
232.17010	0.7
233.88072	0.4
248.62927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
55.05514	0.8
56.05042	1.0
56.96571	46.4
57.03446	6.8
58.96169	1.8
60.04523	2.3
60.30464	0.6
60.95859	1.4
61.02925	2.5
69.03429	4.9
69.42404	4.2
70.06600	37.3
70.98100	1.0
71.04996	0.9
71.95258	1.7
72.08153	2.2
72.96040	3.0
73.02924	9.2
81.03427	2.5
82.06557	0.8
82.99831	1.0
83.05004	0.7
84.04516	1.0
84.08153	48.0
84.96040	5.5
85.02915	12.7
85.08479	1.3
86.09711	11.8
91.03973	1.4
92.93947	0.7
95.00791	1.0
95.10495	0.7
97.02902	8.0
97.06525	1.1
97.99194	1.4
98.03304	0.7
98.06078	1.3
98.97593	100.0
99.04462	1.8
99.97932	1.3
100.97190	4.5
100.98004	2.4
100.99143	10.1
101.00850	6.1
102.96873	5.7
104.01299	1.2
104.07150	0.7
109.02916	1.4
110.01321	4.1
110.97574	21.2
112.99123	3.3
116.07083	1.0
116.98631	29.8
117.98955	0.7
118.98270	1.7
118.99084	1.3
119.00160	1.7
119.01880	12.6
120.97915	2.1
124.99097	1.6
126.97077	4.0
127.00791	1.0
127.03905	2.7
128.98627	13.3
129.10252	2.1
130.05032	0.8
130.08620	1.3
131.00192	4.7
131.01819	3.5
134.99677	6.7
136.00691	2.2
136.99202	0.7
137.02898	1.2
139.00760	0.7
140.00224	0.8
140.02303	4.1
140.98576	1.2
142.01709	1.1
143.00162	3.1
143.01823	1.8
144.98093	6.2
145.01720	1.3
145.03456	2.4
145.04985	1.8
146.02324	4.0
146.99652	8.8
149.01225	4.6
149.02884	1.3
152.02286	4.1
153.00777	0.9
154.01816	4.5
154.96567	0.7
155.02913	5.1
157.00706	1.0
157.03445	0.8
158.99646	6.0
160.02722	0.6
161.01259	1.9
161.02864	7.1
162.99095	3.0
163.02716	1.1
163.59668	0.8
164.03392	1.2
165.00706	3.3
166.01418	0.9
168.03340	3.0
169.02632	0.9
170.03389	2.0
170.99655	7.6
172.02826	6.4
172.04268	1.1
172.94246	0.6
172.97548	5.0
173.02893	2.4
177.00705	3.2
182.03398	7.6
182.99686	1.2
183.01894	1.5
185.01256	0.9
186.03130	0.7
186.04475	5.2
186.09811	7.5
188.02333	1.0
189.00732	6.0
190.02393	1.0
190.03914	8.1
190.98653	15.8
191.02264	4.6
191.03928	17.0
196.02817	1.3
200.04430	22.2
200.54559	0.9
201.00729	2.9
204.05428	1.2
204.10774	2.4
206.07059	0.9
208.04884	3.9
208.99709	21.2
209.03149	1.3
209.04915	12.3
211.55217	1.8
214.03893	73.5
214.07361	2.1
214.09232	5.9
219.01804	4.1
227.00542	1.6
227.02501	1.1
231.98138	1.0
232.04913	43.1
232.10222	18.8
232.14043	1.2
233.05029	0.8
237.02846	5.8
250.05803	5.1
250.08249	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	231.1705
Annotation	Val Ile
Peak:m/z	Relative Intensity
50.70201	0.2
53.03939	0.4
55.05515	9.5
56.05033	0.5
57.05817	0.8
59.05008	0.2
69.03439	1.4
69.73422	0.3
69.73821	1.0
70.06607	0.4
72.08160	100.0
81.03425	0.5
84.08150	0.7
85.02901	0.5
86.09715	5.3
87.00839	0.2
97.02920	0.8
99.04472	0.3
109.02898	0.5
109.06568	0.2
111.03476	0.2
119.96291	0.2
127.03965	0.6
129.10249	0.7
132.10229	3.8
170.11784	0.2
178.07243	0.2
185.16559	0.8
186.63202	0.2
231.03035	0.4
231.06639	0.4
231.17065	5.3
231.19231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1017
Annotation	Demethylsuberosin
Peak:m/z	Relative Intensity
57.07079	0.5
62.06092	0.6
68.99796	3.9
69.07055	0.8
69.72228	1.9
77.03935	0.4
79.05490	1.6
82.73415	0.3
91.05477	4.7
103.05474	6.2
107.04955	1.9
109.87324	0.3
117.95983	0.4
119.04946	5.8
131.04926	0.7
133.02859	0.6
133.06496	0.5
137.63927	0.3
145.06525	0.4
147.04411	7.0
148.05191	1.3
157.10243	0.3
163.03922	0.7
173.05966	0.4
175.03915	85.6
176.04678	6.3
186.24840	0.3
187.03900	1.2
189.05498	1.8
230.24783	1.1
231.10170	100.0
231.25154	4.6
232.10522	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1381
Annotation	Cacalol
Peak:m/z	Relative Intensity
55.01854	2.8
55.05492	0.7
55.21959	0.7
61.84385	0.7
67.64411	0.7
69.07072	7.4
70.06571	0.7
71.52769	1.1
78.23261	0.7
79.05500	1.2
81.07064	1.1
91.05492	3.4
95.04974	0.6
105.06958	1.1
107.04940	1.4
107.08573	0.8
115.05433	5.0
117.07034	4.2
119.08558	3.7
128.06216	6.2
129.07018	11.1
130.07758	0.8
131.04897	1.5
131.08519	1.6
132.05742	1.3
137.05994	1.1
138.55489	0.7
141.06987	1.9
142.07779	2.1
143.04932	1.4
143.08575	8.5
144.05756	1.0
145.06482	6.6
147.08043	15.0
153.07002	0.7
156.05650	0.6
156.09384	6.9
157.06493	10.1
157.10127	0.9
158.07272	4.5
159.08057	2.8
160.05194	2.5
161.05960	1.7
161.09634	1.1
163.07564	0.9
166.07838	1.0
169.06496	2.5
170.07294	2.7
171.08063	8.5
171.11702	16.3
172.08815	6.7
173.05949	5.1
173.09583	2.4
174.06767	3.1
175.03886	2.2
175.07552	47.2
176.08269	1.2
177.09128	1.4
181.10080	2.7
183.08191	0.9
184.08838	9.1
185.05922	0.7
185.09592	0.8
187.07550	6.0
188.06718	1.0
188.08305	12.2
189.09099	7.7
193.08675	0.8
198.06770	0.6
199.07414	1.2
199.11226	15.6
200.08398	0.9
200.11894	0.9
201.05397	1.4
201.09103	5.3
202.07780	6.6
202.09891	3.9
203.06723	0.8
203.08537	12.2
203.10677	11.1
213.09100	2.6
213.12773	1.3
213.16493	0.8
216.07867	2.3
216.11444	1.9
231.08017	26.7
231.10173	23.7
231.13794	100.0
232.14108	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1018
Annotation	Aucuparin
Peak:m/z	Relative Intensity
53.03957	0.6
53.26054	0.4
55.01876	4.2
55.05542	0.3
61.91334	0.4
63.64184	0.3
68.99813	0.6
69.03436	4.9
71.52257	0.4
81.03429	1.9
85.02946	2.0
85.03392	0.4
87.00826	0.8
91.05511	1.3
94.20207	0.3
95.04990	0.9
97.02945	0.8
99.04462	0.9
103.05502	0.9
104.80875	0.3
105.07056	1.2
109.02899	0.6
115.05446	4.9
116.06244	0.5
117.07034	6.7
119.04971	1.1
119.08598	0.6
127.03932	1.4
127.05410	0.8
128.06224	6.5
129.07018	15.8
130.07803	3.4
131.04953	1.2
131.08577	2.5
140.06270	1.0
141.06975	2.7
142.07846	1.6
143.04950	1.4
143.08571	6.7
144.05750	2.1
144.09346	0.5
145.06499	26.6
145.10135	0.7
147.04398	0.5
155.04926	2.2
155.06064	1.4
156.05717	4.2
157.06505	31.6
158.07292	21.4
159.04434	0.6
159.08069	6.7
160.08795	1.8
161.06079	1.1
169.06500	1.3
169.07747	0.7
170.07289	1.6
171.04408	1.2
171.08038	4.6
171.11705	0.4
172.05305	1.1
172.07292	0.9
172.08847	42.4
173.06001	59.5
173.09453	2.7
174.06650	1.1
175.03928	0.5
175.07550	0.9
177.09140	0.7
182.07170	0.4
183.04390	1.6
183.08051	0.5
184.05179	0.5
185.05992	3.8
186.06764	11.9
187.07570	7.9
188.08339	67.7
189.05463	1.2
189.09053	2.0
198.06609	0.4
199.07564	1.3
200.08330	3.1
201.05496	16.8
201.09120	100.0
202.06238	1.5
202.09798	3.5
203.07292	1.9
203.10681	41.2
213.05684	1.7
213.09132	4.0
213.16431	0.5
216.07832	4.1
231.06604	15.0
231.10165	56.1
231.17482	1.5
231.20906	0.5
232.10721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03718	0.8
53.03949	9.5
55.01863	2.9
55.05508	1.4
57.03427	3.4
61.02931	1.4
61.81350	0.9
67.05503	1.1
68.99804	1.8
69.03439	100.0
69.65058	0.8
70.06591	1.5
71.01315	1.0
71.05002	9.3
73.02922	0.9
79.05497	1.4
81.03429	42.7
81.07043	1.7
83.01333	1.3
83.04983	1.6
84.08150	0.9
85.02916	52.3
87.00841	19.4
91.05473	3.0
93.07044	1.6
95.05049	0.8
95.08629	1.2
97.02909	23.9
98.98475	0.9
99.04469	20.9
105.01855	3.6
105.07035	3.1
107.08592	1.8
109.02895	22.6
115.03947	1.3
115.05456	2.0
117.07010	2.1
119.04967	0.8
119.08611	1.0
121.10155	1.4
123.04447	1.4
127.03934	31.9
128.06207	2.3
129.06992	2.2
131.04971	0.9
131.08553	1.1
133.06499	1.7
133.10129	1.1
135.11723	0.9
142.07739	1.5
143.08588	1.6
145.04979	4.4
145.06468	2.2
145.10188	0.8
147.04370	1.5
147.08072	1.2
147.11688	0.9
149.05988	1.1
157.06503	2.0
157.10127	2.3
159.04460	1.3
159.08032	1.1
159.28488	0.8
161.05974	1.3
161.15698	0.9
165.19833	0.8
166.93983	0.8
167.08488	0.8
170.07323	2.5
171.02939	0.9
171.04427	2.1
171.08031	1.6
172.08842	1.4
173.05980	2.2
175.03894	1.9
175.07518	1.5
185.09595	3.1
185.13312	1.5
187.07561	1.1
188.08311	2.1
189.05453	1.2
195.08037	1.1
201.05489	1.7
203.06900	1.4
203.08627	1.4
213.03925	2.9
213.09097	3.2
213.12746	1.9
216.12534	1.1
231.04962	5.5
231.06822	3.8
231.10010	7.6
231.13657	5.4
231.17282	1.8
235.45348	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03707	1.0
53.03953	16.0
55.01867	2.4
55.05503	1.0
57.03452	4.0
61.02927	2.2
68.99789	4.1
69.03435	100.0
69.24558	5.0
71.01376	0.7
71.04998	14.4
79.05505	0.6
81.03426	50.6
83.01352	1.3
83.04971	0.9
85.02912	60.6
87.00838	30.9
97.02898	16.3
98.21484	1.0
99.04465	31.2
105.01864	4.1
107.08598	0.7
109.02887	28.5
111.00880	0.7
127.03929	38.9
141.78802	0.6
145.05013	2.7
147.04469	1.1
159.07993	0.6
171.03041	0.9
171.04449	0.8
175.03850	0.6
185.09636	1.0
185.13348	0.7
189.05524	0.9
213.03938	5.8
216.12643	1.6
231.04840	6.8
231.06972	1.0
231.10266	1.6
231.15244	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03718	0.8
53.03949	9.5
55.01863	2.9
55.05508	1.4
57.03427	3.4
61.02931	1.4
61.81350	0.9
67.05503	1.1
68.99804	1.8
69.03439	100.0
69.65058	0.8
70.06591	1.5
71.01315	1.0
71.05002	9.3
73.02922	0.9
79.05497	1.4
81.03429	42.7
81.07043	1.7
83.01333	1.3
83.04983	1.6
84.08150	0.9
85.02916	52.3
87.00841	19.4
91.05473	3.0
93.07044	1.6
95.05049	0.8
95.08629	1.2
97.02909	23.9
98.98475	0.9
99.04469	20.9
105.01855	3.6
105.07035	3.1
107.08592	1.8
109.02895	22.6
115.03947	1.3
115.05456	2.0
117.07010	2.1
119.04967	0.8
119.08611	1.0
121.10155	1.4
123.04447	1.4
127.03934	31.9
128.06207	2.3
129.06992	2.2
131.04971	0.9
131.08553	1.1
133.06499	1.7
133.10129	1.1
135.11723	0.9
142.07739	1.5
143.08588	1.6
145.04979	4.4
145.06468	2.2
145.10188	0.8
147.04370	1.5
147.08072	1.2
147.11688	0.9
149.05988	1.1
157.06503	2.0
157.10127	2.3
159.04460	1.3
159.08032	1.1
159.28488	0.8
161.05974	1.3
161.15698	0.9
165.19833	0.8
166.93983	0.8
167.08488	0.8
170.07323	2.5
171.02939	0.9
171.04427	2.1
171.08031	1.6
172.08842	1.4
173.05980	2.2
175.03894	1.9
175.07518	1.5
185.09595	3.1
185.13312	1.5
187.07561	1.1
188.08311	2.1
189.05453	1.2
195.08037	1.1
201.05489	1.7
203.06900	1.4
203.08627	1.4
213.03925	2.9
213.09097	3.2
213.12746	1.9
216.12534	1.1
231.04962	5.5
231.06822	3.8
231.10010	7.6
231.13657	5.4
231.17282	1.8
235.45348	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03740	0.9
53.03954	9.4
54.21962	0.6
55.01869	2.5
57.03435	3.1
61.02932	1.8
68.99793	2.1
69.03434	100.0
69.43407	3.3
69.43820	1.6
70.06598	0.9
71.04999	8.4
71.27017	0.6
79.05494	1.3
81.03425	39.0
81.07076	0.8
83.01352	0.8
85.02913	45.7
87.00837	19.2
91.05512	1.2
93.07045	1.2
95.04982	1.2
97.02900	20.9
97.03530	1.1
98.20757	1.4
99.04463	20.4
105.01861	3.4
105.03393	0.7
105.07045	1.1
107.08579	0.7
109.02895	20.2
111.00824	0.7
115.05469	1.0
117.07092	1.5
119.08620	0.9
127.03922	28.5
129.07083	0.7
133.10162	0.9
136.72298	0.6
142.07800	0.8
143.08627	1.4
144.60483	0.7
145.05038	2.7
145.06514	2.0
145.10205	1.2
157.10196	0.8
161.06061	0.8
170.07466	1.0
171.04453	0.8
171.08101	1.1
173.06046	1.9
185.09689	1.6
185.11601	0.7
185.13335	1.5
188.08342	1.0
195.08148	0.8
195.11664	0.8
198.06824	0.9
201.05516	1.8
213.03856	3.2
213.09190	1.8
213.12764	1.4
216.04163	0.9
216.12657	1.1
231.04759	6.8
231.06902	1.3
231.10298	2.8
231.13995	2.6
231.17374	0.8
236.44524	0.7
250.02713	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.1
53.77005	9.7
57.53598	9.8
58.06639	10.3
69.03433	100.0
70.06268	11.0
70.06599	91.9
70.35251	31.6
74.02437	12.0
81.03415	47.4
84.08158	75.1
85.02896	63.2
86.09691	14.6
87.00806	21.1
88.03995	11.4
97.02869	25.7
99.04446	35.8
109.02886	30.1
116.07116	75.7
127.03921	42.7
163.03886	56.1
164.04248	12.2
171.07712	10.6
185.09222	32.2
185.11028	17.8
196.05946	18.2
213.03984	10.3
213.08746	11.9
230.99086	13.3
231.09795	53.0
231.13600	14.3
231.16011	41.7
233.05154	11.7
234.05240	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	231.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78556	0.9
53.03955	18.7
53.40738	0.6
54.20048	0.6
55.01875	1.7
57.03448	4.5
57.07062	0.7
61.02937	1.9
68.99784	4.5
69.03439	100.0
69.56774	5.0
71.05003	15.1
81.03429	51.6
85.02914	56.8
87.00841	30.7
87.04481	1.1
87.17422	0.7
87.82739	0.7
97.02901	16.8
98.20749	1.1
99.04467	33.8
105.01862	4.3
109.02893	25.8
117.17596	0.8
127.03933	36.9
134.35318	0.7
145.05046	1.8
150.57271	0.7
160.07634	0.9
171.02968	0.8
213.03954	5.3
213.05617	0.6
216.12659	2.0
231.04987	7.7
231.14992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05516	25.1
57.06831	1.1
57.07080	12.6
58.02941	1.0
58.06590	2.1
60.04525	1.2
62.06101	7.4
70.06588	0.7
70.63412	1.3
71.08633	6.1
74.06072	0.8
85.10195	1.9
85.22991	0.7
91.05468	1.6
98.06063	0.7
103.05495	1.4
105.07022	1.8
110.10509	0.7
115.05465	2.4
118.04195	0.8
119.04937	1.6
128.06252	1.5
128.53021	0.6
129.07002	5.8
130.06529	2.7
131.04936	20.9
141.06989	10.8
142.07773	2.1
143.04901	0.9
143.07352	1.0
143.08554	2.0
144.05714	2.0
144.08177	1.1
144.09329	3.3
145.06491	2.2
147.04425	1.5
151.69508	0.7
152.06241	1.1
153.06995	1.9
154.07797	4.7
155.05009	0.7
155.07382	0.6
155.08495	1.6
157.05246	1.1
157.06474	6.2
157.10141	3.9
158.06027	1.8
159.06815	7.2
161.05940	0.7
167.07349	0.9
167.08597	2.6
168.05737	2.0
168.08104	0.8
169.05196	1.0
169.06497	10.1
169.08786	1.0
169.10147	13.4
170.06030	7.6
170.07271	1.4
170.09613	1.3
171.06764	2.4
171.08058	6.6
172.07588	1.3
172.08871	5.6
175.03928	14.2
176.07088	12.6
176.08603	1.4
179.08545	1.6
181.06419	0.7
182.07324	4.4
182.09596	1.0
183.06667	1.3
183.08093	2.1
184.07487	1.6
184.08833	1.9
184.11224	1.5
185.08275	1.1
185.09673	11.0
185.12054	1.1
188.07095	10.8
197.09647	40.3
198.09024	3.7
202.12314	1.1
206.05675	0.7
212.10719	5.6
212.23730	5.8
213.11472	10.6
230.09532	2.0
230.11794	40.0
230.24806	100.0
231.10175	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1025
Annotation	N-Hydroxy-meIQX
Peak:m/z	Relative Intensity
53.03946	0.7
55.05505	1.8
56.96564	1.2
57.03438	0.9
57.07072	2.3
57.94966	0.7
58.06598	1.8
60.04510	0.7
66.93222	0.7
67.05500	2.9
69.03439	2.8
69.07072	99.8
70.02953	2.6
70.03770	0.8
70.06597	15.4
70.07401	0.7
71.04992	1.4
71.51589	1.1
72.08156	6.3
73.06551	0.9
74.02444	23.5
80.09259	0.6
81.03422	1.4
81.07060	0.7
82.07422	0.7
84.08160	4.9
85.02901	1.3
85.06556	0.8
86.06080	1.8
86.09712	6.5
87.04449	0.8
88.03996	41.7
88.07623	1.4
91.05483	2.0
92.05817	0.8
93.07040	1.2
95.05001	1.7
96.04456	0.7
97.02904	2.0
97.06538	8.4
98.06060	2.7
98.09650	0.7
98.97585	1.5
99.04460	1.5
105.07059	0.9
109.02857	1.2
114.05532	1.5
114.09180	1.9
115.07579	1.3
116.03462	22.2
116.07105	8.7
119.04946	1.9
119.08611	1.4
120.04426	0.7
120.08914	1.1
123.11720	0.6
124.07618	1.7
124.99123	0.9
127.03940	1.1
129.07147	0.7
129.10222	2.9
130.06520	1.2
130.08630	0.9
133.06436	0.7
134.04497	100.0
140.10738	1.3
140.14342	1.8
142.08641	1.8
143.00163	1.8
145.10065	1.1
146.06020	0.9
147.04402	8.5
147.11720	1.0
152.07082	1.8
158.09636	3.4
161.01236	1.2
166.07359	1.2
166.08649	9.8
170.99681	0.9
176.15132	1.8
182.08247	1.1
182.10358	0.6
182.11777	4.6
184.09718	8.7
186.14934	3.4
188.07037	0.9
189.12666	2.1
194.08171	1.3
194.11819	1.9
194.16235	0.9
202.10735	0.8
212.07401	0.8
212.09235	10.2
212.12941	6.6
214.08519	1.0
230.10234	77.9
230.13881	2.5
230.15436	1.8
230.17622	1.5
231.01770	1.0
249.02725	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	230.07
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98652	0.4
56.96569	26.4
58.06595	1.0
59.06915	0.4
60.08178	1.9
69.03413	0.5
70.06597	7.3
71.06931	2.9
71.30949	0.7
71.95274	2.4
72.08149	0.4
72.96048	1.6
83.97642	1.1
84.04505	1.4
84.08147	7.0
84.96062	0.5
85.02905	0.5
85.08466	0.5
86.09706	3.8
95.06107	0.3
97.08467	0.4
98.97591	100.0
110.97599	0.5
111.05595	0.7
113.00638	0.7
114.05528	0.7
115.05842	0.4
116.00237	2.1
116.98628	40.3
117.03384	0.5
120.02009	0.4
124.00735	0.4
125.07909	0.6
126.02303	1.3
127.03933	0.7
128.07129	0.4
128.98619	0.5
129.10265	0.6
134.01279	1.2
134.99667	9.3
135.04385	0.8
140.00232	0.7
140.03838	2.1
141.00061	5.1
142.05437	2.2
142.08652	3.3
143.09000	5.1
144.03299	0.6
153.00783	0.6
158.01228	0.4
158.04884	2.4
160.06491	3.0
163.03889	3.8
168.02420	0.4
169.03448	0.5
170.04936	1.3
171.03290	3.1
176.05914	0.4
178.07521	0.6
184.04655	0.5
184.10838	1.4
184.27696	0.4
188.05946	2.5
189.00748	0.5
189.04355	9.5
189.06068	0.6
202.07510	0.7
203.05939	0.6
206.07016	7.7
207.05438	3.2
207.07330	0.5
212.05910	1.2
212.07742	1.8
213.04265	0.4
214.08751	0.5
215.04016	1.0
224.08063	6.9
230.06970	16.7
230.11523	1.5
230.15833	26.9
231.05426	1.9
233.05051	1.8
248.08086	21.2
249.06480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
55.05533	0.6
56.96572	58.8
57.03447	2.4
58.03788	0.8
60.08184	0.6
61.02938	3.7
64.99070	0.6
67.05524	1.1
68.05058	0.8
68.98286	0.6
69.03423	2.0
69.07085	0.8
70.06212	1.2
70.06601	23.7
70.19310	2.3
70.98137	2.7
71.04995	0.9
71.06941	1.1
71.95277	1.8
72.08162	1.6
72.96059	0.9
73.02924	2.3
74.97591	0.9
79.05509	1.4
81.03410	1.0
81.07060	0.6
82.01449	0.7
82.06583	0.9
82.99860	0.7
83.04949	0.8
84.01595	0.8
84.04527	1.2
84.08154	63.1
84.96038	4.5
85.01425	0.8
85.02893	4.2
85.08488	1.5
86.06110	0.8
86.09707	1.8
86.99328	0.7
87.10038	1.0
88.99140	0.7
89.03921	7.2
91.02330	0.6
95.04959	1.0
97.02906	2.0
97.06541	2.0
97.99205	1.3
98.06062	1.3
98.97596	100.0
99.04469	0.7
99.08129	0.8
100.02501	2.1
100.97230	0.7
100.99160	30.4
101.00916	4.0
102.00972	3.2
102.02245	1.2
102.96999	1.0
103.02441	2.7
107.04969	2.8
110.97575	2.6
112.07616	1.4
112.99126	1.8
113.96374	0.8
114.06681	0.7
115.02425	1.2
116.07121	5.5
116.98638	46.2
117.03362	6.9
117.04001	0.7
117.07451	0.6
118.03526	0.9
119.00202	11.0
119.01931	8.0
119.04942	0.7
120.02007	8.7
120.03307	0.8
121.01661	2.1
121.03512	0.8
124.07598	0.8
124.95506	1.1
124.99124	0.9
127.00694	1.1
127.02402	3.0
127.03899	1.3
128.02342	1.4
128.07133	0.6
128.52512	1.6
128.98636	5.6
129.03989	0.8
129.10245	1.1
130.08643	0.6
131.00185	2.3
131.01889	2.5
132.02032	1.1
133.03468	1.8
134.99681	13.2
135.03140	2.5
135.04420	13.4
136.04694	0.6
137.02872	1.3
138.03081	1.7
140.00243	2.8
140.10721	27.8
141.03918	0.9
141.98650	1.3
142.03471	1.4
142.08630	1.6
142.96529	2.1
143.00183	30.2
143.01935	1.3
143.03688	0.8
143.08966	1.7
144.04974	0.7
144.98079	1.3
145.01624	1.3
145.02811	6.9
145.03554	4.9
145.99921	1.0
146.99644	10.1
147.01358	1.2
147.04272	1.1
149.01233	0.7
149.05966	0.6
150.99130	1.5
153.00671	0.8
154.21602	0.7
156.04993	0.7
157.03471	1.3
158.01202	1.2
158.03412	0.6
158.06535	1.0
158.99637	1.7
159.99835	0.8
161.01244	36.4
161.02625	1.3
162.99159	2.2
163.03920	76.4
164.04254	1.7
165.00740	25.9
166.03712	0.9
168.05145	0.9
169.03485	7.5
169.52744	0.9
169.99963	1.4
170.02942	0.9
170.06606	1.9
170.99644	2.4
171.05070	1.8
174.99126	2.4
175.04489	1.8
175.52727	0.8
176.04657	1.2
177.00682	2.7
179.02263	4.8
183.01805	13.3
184.02875	1.6
184.04550	3.7
184.09668	1.2
185.02943	0.9
186.11276	16.1
187.00877	0.9
187.04549	9.3
188.01004	2.4
188.02467	1.3
188.96992	0.9
189.00739	10.4
189.02359	1.3
190.03912	1.0
192.05002	0.8
193.00200	4.5
196.06137	1.0
197.02975	2.8
198.00716	2.2
198.06100	7.0
202.05621	1.1
204.05367	0.8
205.00110	0.7
207.01784	33.1
208.04900	0.9
210.06203	0.7
212.04263	1.1
212.07689	19.1
212.09575	1.5
212.12779	2.6
215.04019	15.3
216.00330	3.4
216.03915	1.1
216.07213	10.0
225.02847	4.8
230.03209	1.7
230.05536	1.7
230.08693	21.2
230.10925	1.1
230.13779	5.7
230.15776	9.8
231.03638	1.1
233.05101	41.0
234.05240	1.8
238.05568	1.5
248.06348	1.5
248.09793	1.9
253.10480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01868	2.3
55.05270	2.1
55.05518	25.3
57.03442	11.6
57.07066	5.2
58.06604	2.1
58.41145	2.0
59.04990	1.8
60.08150	5.7
61.39432	1.5
62.23220	1.9
66.30301	1.7
67.05511	78.5
69.06791	1.7
69.07076	21.5
70.06594	2.2
71.05002	13.3
71.52343	2.1
79.05499	14.9
81.03445	2.3
81.06590	4.0
81.07066	78.5
83.04987	6.5
83.08629	16.0
83.28131	1.6
84.08173	3.0
85.06556	16.8
91.05477	25.6
93.06568	1.9
93.07066	22.3
95.08615	100.0
97.06544	20.3
97.10188	8.8
99.00838	1.7
99.08100	11.9
105.07042	28.1
107.08605	10.1
109.06547	2.5
109.10171	47.2
111.08091	4.4
113.09616	2.6
115.07587	2.6
115.96432	3.8
116.02853	1.8
117.07037	16.9
119.08588	37.5
121.10173	11.2
123.08064	7.7
129.07019	2.1
131.08575	29.5
133.10138	27.0
135.11723	14.3
137.09581	3.8
137.13269	13.8
137.64821	1.8
142.23750	1.7
143.08571	2.3
145.10155	13.1
147.11679	7.1
149.13306	2.2
155.10620	3.5
157.10011	2.1
159.11688	6.0
161.13278	76.4
173.11760	11.7
173.13213	4.4
175.85321	1.9
179.14328	62.6
183.07971	2.3
187.11040	2.4
196.08797	4.0
197.15413	13.0
211.11208	12.8
211.16878	3.0
229.04962	2.4
229.08525	10.2
229.12245	5.3
229.14030	13.1
229.15985	4.0
229.17741	2.8
229.19739	18.7
229.23479	3.9
229.27217	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	Pro Ile
Peak:m/z	Relative Intensity
51.61723	0.3
55.01861	0.3
56.96558	0.8
57.03421	0.3
58.06349	0.4
58.06608	4.9
59.07378	1.2
60.07880	0.4
60.08167	5.9
68.05023	1.0
70.06598	31.5
70.72720	0.8
70.73100	0.3
72.08149	0.6
78.23058	0.2
84.08152	1.8
85.02894	0.3
85.08488	1.0
91.20059	0.3
93.22090	0.3
96.08131	1.2
97.02920	0.4
98.06085	0.4
98.97602	1.7
101.00840	0.3
101.19851	0.3
114.05543	3.5
114.06344	0.4
114.06614	0.2
114.09173	1.9
116.03329	0.3
116.07118	1.1
116.98640	0.7
119.01891	0.4
124.07602	3.3
126.09156	0.7
142.08646	30.0
143.47180	0.3
160.06534	0.4
170.08162	1.4
173.75055	0.3
181.41243	0.3
206.07065	0.7
224.07991	0.5
229.15489	100.0
230.15775	0.8
238.65666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76274	0.2
52.26329	0.2
58.06601	5.3
59.07380	1.1
60.07891	0.4
60.08171	5.4
67.16896	0.2
68.05024	0.9
70.06598	30.9
70.52927	0.3
70.53278	0.6
71.06937	0.3
72.08171	1.1
74.26971	0.2
84.04507	0.5
84.08151	6.4
85.08485	1.6
96.08112	1.4
98.06039	0.7
98.97573	0.4
101.00922	0.3
101.97663	0.3
102.37862	0.2
104.89766	0.2
114.05545	2.6
114.06651	0.8
114.09190	2.1
116.07110	1.2
118.08661	0.5
124.07602	3.2
126.09187	0.5
142.08647	28.0
166.03566	0.3
170.08173	1.0
184.04518	0.6
229.15491	100.0
230.15846	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1438
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.01861	12.2
55.05500	16.0
57.03435	13.5
57.07067	5.7
67.05179	6.1
67.05508	76.0
69.07059	13.8
69.60438	3.1
70.06624	6.5
70.63115	5.6
70.63408	5.3
71.04993	4.2
79.05498	14.3
81.07066	90.1
83.04967	7.1
83.08609	12.7
84.08122	3.6
85.06541	5.0
88.07613	8.1
91.05512	22.8
93.07012	18.0
93.98863	3.8
95.04974	5.8
95.08600	16.3
97.06524	12.9
99.00801	5.9
105.07053	30.9
107.08596	12.3
109.06515	9.7
109.10184	55.8
119.08604	37.2
121.10163	23.1
123.08079	6.2
123.11699	37.6
127.07457	4.0
129.06967	8.2
133.10136	6.7
137.09589	4.9
147.04420	5.6
147.11700	100.0
155.08559	4.9
155.10689	5.4
157.10133	13.0
165.12772	49.0
173.05988	7.3
173.11771	19.7
173.13130	5.0
175.03877	7.2
175.11189	14.0
190.80618	3.6
192.17548	4.3
193.12289	7.9
199.03925	4.5
201.09052	7.7
205.98825	4.1
211.13100	3.9
229.08542	15.6
229.12230	6.5
229.14307	63.8
229.16209	5.3
229.23573	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1437
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.03959	1.2
53.26336	0.6
55.01880	4.3
55.05517	7.4
57.03447	4.7
57.07065	2.6
65.03952	1.0
67.05511	33.8
69.03426	1.3
69.07070	10.0
70.06574	0.9
71.05001	3.9
71.52750	1.1
79.05495	8.4
81.03435	1.7
81.07068	45.2
83.04999	4.8
83.08629	5.3
84.08160	0.9
85.02900	1.0
85.06571	4.3
89.58566	0.8
91.05492	22.1
93.07039	8.3
95.04986	4.5
95.08613	8.4
97.06530	9.4
97.10198	0.9
98.97457	0.8
99.00841	1.2
99.08088	1.5
105.07046	25.3
107.04942	1.9
107.08601	9.2
109.06538	7.8
109.10165	15.7
111.08109	1.7
113.05986	2.7
115.05445	1.0
117.07027	1.5
119.08590	23.1
121.10149	15.5
123.08041	1.0
123.11710	20.1
129.07011	7.2
131.08620	4.9
133.10135	9.7
137.09612	2.4
137.13271	1.4
141.06981	1.5
141.33830	0.9
142.07748	2.3
143.08534	1.3
145.06479	1.1
145.10107	3.4
147.04419	1.6
147.11700	70.1
149.09627	3.4
151.07510	0.9
155.08603	4.4
155.10690	1.5
157.10138	16.9
165.12767	32.8
169.10023	1.4
171.11635	2.3
173.05977	1.0
173.09618	2.4
173.11786	4.7
173.13023	0.9
175.03903	1.0
175.11201	20.0
183.08072	3.3
183.13867	1.6
186.06842	4.1
193.12245	7.4
201.09149	2.6
211.07622	1.8
211.11514	0.9
211.13261	3.7
211.14960	1.5
229.08614	16.4
229.12477	4.2
229.14342	100.0
229.23576	1.4
230.14598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.05499	6.4
57.03438	1.8
57.07080	3.0
65.03953	1.6
67.05506	12.4
69.03412	3.6
69.07068	18.6
70.06595	4.1
71.04980	6.1
71.19810	3.6
72.08121	2.1
79.05495	6.2
81.07064	23.3
83.04979	6.5
85.06549	6.3
86.09722	2.0
88.22691	1.5
91.05491	24.3
93.07053	18.8
95.04974	9.0
95.08605	7.4
97.06523	4.2
98.97571	2.1
99.04478	1.9
105.07044	27.2
107.08627	9.8
109.06525	21.3
109.10157	9.0
113.06007	2.5
119.08588	9.2
121.06467	2.6
123.04437	2.1
123.08035	4.6
123.11723	11.7
125.05994	3.5
125.09646	1.9
127.07587	2.2
131.08540	9.7
133.10149	100.0
135.08008	1.8
135.11691	2.4
137.06007	7.5
147.11687	22.2
149.09613	2.3
151.07536	3.2
151.11194	63.3
155.07068	20.1
155.08324	3.0
165.12750	5.4
167.07088	4.1
169.07497	2.4
169.12233	3.6
175.11201	11.2
183.05522	2.6
193.12280	40.9
201.06670	2.4
210.17578	1.7
211.13295	47.3
211.15285	2.5
229.06410	2.0
229.08466	2.6
229.12221	6.8
229.15891	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	229.1436
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
51.31725	1.2
51.56137	1.0
52.23900	1.1
52.56020	1.2
53.89451	1.0
55.01851	1.2
55.05518	8.9
57.03444	19.7
57.07066	2.8
59.05008	5.5
65.03927	2.1
67.05513	100.0
69.07059	2.8
70.06593	1.3
71.04987	3.7
81.07069	15.0
83.08624	8.3
85.06549	2.7
88.67235	1.1
90.74246	1.1
91.05489	5.5
93.07028	2.9
95.08611	7.1
96.08961	1.0
97.06527	1.1
98.20735	2.8
107.08625	1.1
109.10168	92.9
111.08087	4.5
119.08607	6.7
123.59542	1.1
137.09608	3.6
144.48071	1.0
155.10686	8.9
173.11751	33.6
183.05638	1.3
229.12318	1.7
229.14346	42.7
229.23509	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	229.1436
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05510	8.0
57.03435	18.3
57.17194	1.1
59.04996	5.1
61.90055	1.0
67.05508	100.0
69.07055	2.9
69.07418	0.9
69.75702	5.8
70.15768	0.9
71.04975	2.8
79.05494	1.8
81.07060	14.7
83.08624	7.4
85.06507	2.6
91.05468	3.7
93.07015	3.3
95.05010	1.4
95.08611	6.8
96.08939	1.5
107.08577	2.2
109.10162	96.4
111.08089	2.8
117.07027	1.4
119.08613	8.0
137.09647	6.8
155.10654	7.9
173.11755	36.3
173.13193	1.2
229.08276	1.6
229.14331	39.8
229.19424	1.8
229.23518	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	229.1436
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.01875	0.9
55.05515	8.7
56.17227	0.7
57.03442	19.7
57.07078	2.2
59.04751	0.7
59.05003	4.4
59.67365	0.6
63.43163	0.6
65.03946	1.6
67.05511	100.0
69.03450	0.6
69.07056	3.2
69.16391	6.7
70.06621	0.6
71.05014	3.2
79.05505	2.2
81.07059	15.9
83.08627	6.4
85.06548	4.2
91.05482	5.5
93.07056	3.5
95.08620	6.4
98.21529	1.3
99.00814	1.3
101.58762	0.6
107.08610	1.2
109.10167	92.7
110.10494	1.3
111.08055	3.3
119.08601	7.8
137.09628	5.2
141.80138	0.6
145.10118	0.8
155.10712	7.9
173.06050	1.0
173.11761	29.5
229.12515	1.5
229.14352	41.2
229.23523	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	229.1226
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
50.08024	0.4
52.45831	0.4
53.03947	4.2
53.07076	0.5
55.01866	0.6
55.05504	1.7
56.96566	0.7
58.06600	0.6
62.27110	0.5
65.03937	1.0
67.05519	4.1
69.03436	17.8
69.07082	0.6
69.27450	0.9
69.27853	4.2
71.05001	0.6
72.08156	0.5
77.03963	0.6
78.26025	0.4
79.05497	1.8
81.07070	2.6
83.04999	2.9
83.08659	0.5
91.05495	5.4
93.03404	0.9
93.07051	6.0
95.04974	1.6
95.08602	0.9
98.97566	1.0
99.00829	1.2
105.07045	6.3
107.04941	1.0
107.08598	1.1
109.02893	21.5
109.06505	1.1
109.10168	2.1
115.05464	1.2
116.06269	0.6
117.07047	2.6
119.04975	0.7
119.08594	5.8
121.06531	7.1
121.10142	1.4
123.08121	0.5
123.11811	0.5
128.06229	2.6
129.07040	3.4
130.07785	1.4
131.08592	12.4
133.10141	9.7
135.04424	0.6
135.08055	1.0
141.07001	1.9
142.07770	2.6
143.07515	0.7
143.08583	10.1
144.09393	4.1
145.06491	4.2
145.10127	9.2
147.08040	1.0
147.11696	0.6
153.06956	2.7
155.08575	4.9
156.09375	1.1
157.06462	1.1
157.10141	3.3
158.07283	1.3
158.10930	13.8
159.08083	7.4
159.11702	10.8
161.09624	1.2
168.09358	4.2
169.10117	1.7
170.10925	4.7
171.08090	5.7
171.11670	1.1
172.08853	7.8
173.06105	1.0
173.08127	1.3
173.09645	30.0
173.13274	39.4
175.07535	2.2
178.07797	0.8
181.06546	2.3
183.08105	0.8
183.11714	6.4
185.09641	1.6
185.13167	2.5
186.10425	21.0
187.07712	3.0
187.11200	56.1
188.11603	0.8
189.09160	0.6
189.74985	0.6
193.10103	1.3
195.08109	0.8
196.08879	5.2
199.07532	1.9
201.12766	59.5
207.65369	0.6
211.11197	12.1
211.13193	0.9
214.09892	3.5
229.08569	3.1
229.12254	100.0
229.23575	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90358	0.4
57.03439	0.4
60.91313	0.4
65.03947	3.4
67.05512	48.5
68.05046	0.5
69.03466	0.5
69.58237	1.3
69.58658	1.8
70.06602	18.1
70.38463	0.4
71.04998	0.6
72.08157	1.7
72.33936	0.4
73.43797	0.4
79.05498	0.7
81.07059	1.3
81.97438	0.4
83.06142	0.7
84.04485	0.5
84.08154	1.0
85.06544	0.5
95.04980	100.0
95.06084	5.8
95.23647	0.4
96.05312	0.9
97.06538	2.7
99.92471	0.4
107.08591	0.8
108.08906	0.5
112.08745	2.2
113.06006	2.4
114.05558	1.1
116.07107	16.7
120.08942	0.5
164.10732	3.2
182.11765	1.7
193.13438	0.5
210.11272	96.7
210.52936	0.4
211.11525	0.7
211.14406	1.0
214.79834	0.5
228.12312	3.2
228.17102	8.5
228.23262	1.8
241.99452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0545
Annotation	Aminocyclopyrachlor-methyl
Peak:m/z	Relative Intensity
52.63515	0.2
55.05510	0.2
56.05037	0.3
56.96297	0.3
56.96572	4.1
57.03442	0.2
61.02927	0.3
70.06588	0.2
70.58961	0.6
71.95290	0.9
72.96059	0.2
73.02903	0.3
81.07060	0.4
82.01436	0.4
82.06577	0.9
83.06133	0.4
84.08150	100.0
84.96048	0.7
85.02918	0.5
85.08488	0.8
95.06097	3.7
96.55138	0.2
97.02908	0.5
98.97591	28.0
100.02489	0.3
101.00877	0.3
112.07597	0.4
112.08736	1.6
112.99148	0.4
113.00921	0.2
116.98631	8.5
116.99465	0.4
119.01947	0.4
128.07153	0.2
131.00172	0.3
134.33325	0.2
134.99666	1.4
137.06071	0.2
138.02338	0.4
140.00174	0.3
140.98553	0.2
142.04005	0.2
144.99864	0.4
146.99724	0.2
147.03043	0.3
149.91043	0.2
150.02240	0.4
154.05006	0.2
156.03423	1.1
158.01250	0.2
158.99637	0.2
163.12360	0.4
168.03355	1.9
172.99298	0.4
174.04329	0.4
177.00815	0.2
177.02422	0.3
182.04942	0.5
184.02754	0.3
186.02948	0.3
186.04440	2.7
186.06049	0.3
193.13361	0.2
196.00989	1.2
200.04434	0.2
200.06003	2.2
202.04022	0.3
204.05507	1.7
204.52908	0.2
205.00006	0.2
210.04362	0.5
210.16022	0.7
211.14401	0.7
214.01855	0.3
218.07039	0.3
225.04430	0.2
228.05444	34.2
228.17079	4.7
229.05859	0.2
246.06516	19.5
248.66916	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45134	0.2
56.96566	2.5
60.39301	0.3
69.03417	0.3
70.06577	1.2
71.52541	0.4
71.95271	0.5
72.08131	0.3
73.02921	0.3
82.06577	1.9
84.08147	100.0
84.96046	0.5
85.02924	0.5
85.08482	0.9
86.09715	0.3
95.06081	0.4
98.97588	16.2
100.07643	0.6
101.00866	0.4
110.07257	0.3
112.07623	0.4
116.98631	5.8
119.01908	0.6
123.90953	0.2
127.03908	0.4
130.08675	0.3
134.99670	0.9
137.07034	0.3
138.02286	0.6
140.00172	0.3
142.08673	0.5
156.03317	1.8
164.08255	0.6
166.09796	0.4
168.03355	0.7
174.04425	0.9
182.09288	1.7
186.04433	2.2
192.06656	0.5
200.05910	0.3
204.05453	1.7
210.07498	0.4
223.04832	0.3
228.05423	27.3
228.09937	0.8
228.23297	0.3
229.15475	1.5
246.06505	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	228.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62364	0.4
56.92234	0.4
56.96296	0.5
56.96555	8.0
57.03429	0.6
69.03435	1.0
69.07064	0.6
70.06593	1.6
70.91528	0.4
71.35085	0.7
72.08164	1.2
73.02941	0.6
74.97638	0.5
79.05512	0.4
84.04504	0.6
84.08153	23.7
84.96976	0.4
85.02967	0.5
95.06097	1.0
97.02934	1.1
98.97591	6.7
98.98183	0.5
108.52943	0.4
111.27740	0.5
112.07614	1.0
116.98620	2.4
124.99168	0.5
127.03929	1.0
128.98654	0.5
129.10231	0.7
134.99733	0.6
137.06006	0.6
138.02309	1.4
141.05496	0.8
142.01753	0.8
143.00162	0.5
156.03339	81.1
158.03790	0.5
158.99738	0.4
160.02800	0.5
163.03915	0.6
168.03340	29.1
174.04408	46.7
182.09439	0.8
186.04404	100.0
187.04860	0.8
192.00983	0.5
192.05418	4.6
197.05994	0.6
204.05458	50.4
209.06166	2.3
216.43231	0.4
222.06584	1.4
227.07135	0.6
228.05440	27.4
228.12221	0.8
228.17123	0.6
228.23322	1.7
246.06523	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	227.1644
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03952	7.1
53.64177	3.5
55.01872	4.6
55.05511	34.0
57.03444	19.4
57.07067	9.0
59.05017	9.2
67.05505	33.5
69.03426	17.3
69.07079	44.6
70.53791	8.2
70.54140	6.4
71.04996	54.6
73.02931	6.9
73.89241	3.6
79.05509	24.8
81.03419	9.6
81.07066	73.3
83.04986	16.1
83.08618	22.5
85.02927	4.0
85.06546	17.8
86.09708	17.7
86.82413	4.0
87.04465	14.1
91.05490	22.2
93.07056	47.8
95.04990	27.3
95.08614	48.3
97.06550	19.7
97.10187	8.1
98.97594	7.3
99.03851	7.2
99.04470	100.0
99.05113	5.8
99.08105	5.1
100.04809	13.0
100.11265	44.5
101.04928	5.9
103.05500	4.2
105.03381	4.8
105.07040	39.4
107.04967	11.2
107.08613	82.6
109.06517	13.0
109.10175	55.6
111.04411	5.1
111.08074	12.5
113.05991	5.6
113.09695	5.7
113.96440	6.0
115.07575	5.4
117.07024	9.3
119.08611	24.9
121.06499	12.1
121.10171	61.1
123.04493	6.6
123.08079	17.2
123.11729	57.9
125.06034	7.8
125.08898	3.7
125.09668	25.8
127.07584	5.2
129.07004	5.1
131.08556	27.4
131.37791	4.0
133.10164	47.0
135.08067	15.8
135.11713	27.7
137.05998	5.5
137.09608	16.9
137.13313	7.7
139.07651	5.4
139.11180	9.2
145.10158	13.0
147.11703	12.4
149.06012	8.8
149.09634	14.1
149.13275	33.3
151.11229	40.7
152.07176	5.2
153.09125	11.0
158.99741	4.3
161.13309	9.8
163.11176	14.8
163.14873	24.2
165.12784	5.4
167.07068	46.3
167.10696	4.8
169.08607	7.8
169.12267	9.7
171.11658	6.5
173.13271	52.5
177.05484	10.1
181.12251	10.6
183.13861	5.8
184.05246	7.5
185.14543	6.3
191.14343	66.9
207.09677	4.7
209.08144	12.1
209.11696	6.2
209.15244	37.4
212.04686	8.2
227.07091	24.1
227.10486	12.8
227.12665	6.9
227.16234	51.8
228.17262	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.64455	1.3
53.03929	1.0
55.05521	5.5
57.01997	1.0
57.03432	1.7
57.07077	3.0
59.05010	2.0
67.01853	1.5
67.05526	7.3
69.03434	4.1
69.07072	8.2
69.55856	1.6
69.56271	4.3
71.05000	39.9
79.05500	7.0
81.03400	2.7
81.07063	15.5
81.23716	1.1
83.04976	5.6
83.08626	4.9
85.06564	12.1
87.04446	1.0
91.05489	5.7
93.07066	13.5
95.04980	7.4
95.08617	13.7
97.06530	4.2
97.10155	1.9
99.04465	100.0
99.08109	2.8
100.11266	8.9
101.06070	1.1
105.07044	12.7
107.04998	1.4
107.08604	24.8
109.06534	5.5
109.10169	9.9
111.04452	2.0
111.08096	3.8
113.09642	5.1
115.07574	3.6
117.07013	2.5
119.08595	6.4
121.06507	2.5
121.10159	15.1
123.08106	8.3
123.11710	15.6
125.09645	9.0
127.07521	1.1
131.08577	9.3
133.10153	20.2
135.08075	4.3
135.11700	6.8
137.09641	3.0
139.11232	5.8
141.09157	1.4
145.10141	4.6
147.11717	6.9
149.09657	4.4
149.13289	7.9
151.11198	9.5
153.09129	4.4
158.10941	3.7
160.07664	1.5
161.13239	2.6
163.11191	1.4
163.14885	6.1
165.12790	3.5
167.07076	3.0
167.10689	4.1
167.14349	1.8
169.08571	1.2
169.12234	7.2
173.13272	25.1
183.13823	23.1
185.04468	1.2
191.14319	18.6
209.08080	7.2
209.15279	10.4
227.07018	5.0
227.10318	1.7
227.16345	22.9
228.17036	1.3
233.18576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03958	1.4
53.47747	0.5
55.01877	0.9
55.05511	5.2
56.02657	1.5
57.07087	1.7
58.06591	0.8
65.03925	0.8
67.05511	20.5
68.66171	0.7
69.07072	3.8
69.85390	1.2
69.85803	2.1
71.05000	100.0
71.08654	0.8
72.93810	1.1
74.40269	0.7
79.05496	9.5
81.07066	28.6
83.04996	2.2
83.08646	3.0
84.08150	0.7
85.06550	2.8
85.10188	0.8
91.05492	6.2
93.07054	15.9
95.04986	1.5
95.08624	14.5
97.06528	3.2
97.10175	1.5
99.08134	1.3
100.11266	5.6
105.07038	4.1
107.05054	0.7
107.08612	7.8
109.06546	1.5
109.10184	2.5
111.08102	2.3
113.09682	1.3
113.96427	2.2
117.07039	3.6
119.08627	1.4
121.06556	1.8
121.10184	3.2
123.11687	1.1
125.09656	2.1
127.07619	1.0
129.07086	0.9
131.08594	3.5
131.97485	1.7
133.10124	4.8
135.08081	1.9
135.11681	10.2
149.13275	6.3
150.01926	1.9
151.11215	1.0
157.06534	0.7
159.11705	7.3
161.13283	0.8
163.11252	1.4
167.07153	0.9
167.50082	0.7
171.08134	1.1
172.48332	0.6
177.12776	4.5
185.09703	1.2
186.22253	1.7
191.10704	0.8
191.14452	1.1
195.13896	2.2
209.09445	1.0
209.15511	2.1
210.14272	0.7
215.98930	0.6
227.07233	1.2
227.10510	2.9
227.12695	1.4
227.14470	1.4
227.16249	0.9
227.17816	1.9
227.24849	1.8
230.58781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03965	2.8
54.85281	2.1
55.01870	13.1
55.05518	27.7
56.96566	3.8
57.03439	5.1
57.07072	5.5
59.05000	2.7
65.03946	2.1
67.05514	26.8
67.44455	2.2
69.03418	9.3
69.07077	23.0
70.06594	3.1
71.04999	28.3
71.52377	3.6
72.08163	4.3
79.05498	35.7
81.03424	5.3
81.07063	54.6
83.04987	15.3
83.08631	20.3
85.02908	3.3
85.06561	25.5
86.09708	4.2
91.05494	31.2
93.07048	61.4
95.04971	25.0
95.08613	59.0
97.02885	4.0
97.06529	17.5
97.10189	5.1
98.97598	14.4
99.04461	45.0
99.08079	12.1
100.11266	28.8
103.05457	5.9
105.07040	73.9
107.04958	10.5
107.08610	53.7
109.06518	17.8
109.10159	31.6
111.04394	5.6
111.08105	22.0
113.06004	3.1
113.09655	3.9
113.96380	4.1
115.07582	3.4
116.98611	6.3
117.07024	9.1
119.08588	84.7
121.06536	17.0
121.10160	46.2
123.04430	6.4
123.08083	9.6
123.11703	6.9
125.06008	5.7
125.09619	7.7
127.11187	5.7
129.07011	3.6
131.04913	4.6
131.08571	30.2
131.97452	3.4
133.10144	100.0
135.08055	14.3
135.11708	29.7
137.06003	6.3
137.09674	4.7
137.13255	2.7
139.07581	3.9
139.11179	5.4
143.08559	6.4
145.10129	31.4
147.11691	15.0
149.05992	9.5
149.09624	7.5
149.13295	14.6
150.01808	3.5
151.11223	12.0
153.07045	3.5
153.09131	15.0
153.12657	2.9
155.07050	5.4
158.10924	7.4
158.99693	5.3
159.04431	3.1
161.11992	4.8
161.13272	78.3
163.11195	49.7
163.14838	4.7
165.12859	4.1
165.25293	2.4
167.07062	63.2
167.08458	2.3
167.10713	7.5
169.08620	30.4
169.09962	3.8
171.11768	5.3
173.13280	62.7
177.05502	17.5
179.14333	15.9
181.04959	4.5
181.12268	13.5
182.04544	2.6
185.11731	4.8
191.10706	6.4
191.14323	38.4
195.10223	10.9
197.15451	3.8
209.08070	6.6
209.09839	3.2
209.11725	6.9
209.15276	44.9
227.07094	15.8
227.10556	10.4
227.12657	47.1
227.16258	7.7
227.17807	10.0
230.60413	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03963	3.7
54.07394	3.6
55.05508	16.8
55.77750	3.2
57.03438	8.6
57.07070	8.7
59.04984	4.6
67.05517	17.6
69.03421	12.0
69.07075	23.5
69.29290	11.8
69.29710	18.1
71.05000	33.6
72.08160	5.8
78.04683	4.4
79.05505	12.4
81.07069	29.8
83.04981	13.8
83.08616	15.3
85.02911	3.8
85.06538	14.5
86.09701	12.2
87.32333	4.1
91.05486	17.9
93.07063	47.7
95.04981	100.0
95.08617	33.0
97.06532	35.5
99.04477	21.9
99.08099	37.1
100.11272	19.2
100.70210	3.5
105.03413	7.2
105.07036	39.2
107.04988	4.1
107.08610	51.5
109.06516	28.4
109.10168	26.9
111.08091	12.4
115.07583	12.6
117.07032	5.7
119.08578	26.7
121.10151	94.0
123.08080	8.3
123.11706	20.3
125.09648	18.8
127.07558	23.2
131.08565	25.9
133.09158	4.1
133.10143	57.9
135.08052	17.0
135.11710	18.6
137.09622	7.9
139.07632	4.2
139.11197	22.9
143.01872	5.3
145.10162	11.4
147.11717	16.4
149.05975	3.7
149.09616	9.7
149.13223	18.9
151.11191	13.8
153.05428	3.8
153.09125	42.8
155.07109	5.6
158.11024	9.2
161.13289	3.7
163.07550	7.1
163.11211	4.3
163.14810	20.4
165.12759	4.7
167.07042	27.3
167.10696	7.7
167.14134	4.0
171.10190	14.1
173.13275	70.1
177.05479	6.0
181.04956	6.8
191.14311	52.1
209.08099	15.1
209.15373	37.5
213.17842	4.4
227.16344	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	227.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.8
56.96565	6.3
57.03418	2.7
57.07077	2.1
61.77687	1.8
66.29182	1.6
67.05512	8.6
69.03424	2.9
69.07080	9.3
71.05003	20.4
71.52319	3.0
73.02939	2.1
79.05480	11.7
81.03447	1.9
81.07066	26.4
83.04987	3.8
83.08639	9.6
85.02917	2.3
85.06556	12.0
86.09726	2.1
91.05482	16.7
91.62238	1.7
93.07046	36.6
95.04985	16.2
95.08619	19.3
97.06540	5.4
97.10187	2.2
98.97606	18.7
99.04462	63.5
99.08112	3.1
100.11271	12.5
101.02406	2.1
103.05488	2.0
105.07043	55.7
107.04932	2.2
107.08601	24.0
109.06519	10.7
109.10141	11.1
111.08082	27.1
113.09640	2.3
113.96438	2.5
115.07505	2.4
116.98610	2.9
117.07042	3.2
119.08592	62.3
121.06521	4.5
121.10143	38.5
123.04465	2.8
123.08066	6.0
123.11694	2.9
125.09657	9.9
131.04965	2.3
131.08583	32.6
133.10136	38.0
135.08063	3.1
135.11732	3.7
137.06038	4.4
141.09128	3.5
143.08603	2.3
144.60387	2.1
145.10120	5.9
147.11679	3.2
149.05981	5.1
149.09679	3.7
149.13313	2.2
151.03934	2.0
151.11156	16.8
153.09070	15.6
154.03899	5.4
155.07037	3.0
157.06505	3.1
158.10892	3.7
158.99669	5.8
161.13272	100.0
163.11198	4.2
163.14841	3.9
167.07051	36.5
167.10678	3.3
169.08607	15.9
173.13268	34.2
174.05461	4.4
177.00784	4.5
177.05467	10.3
179.14323	13.2
181.06444	8.2
181.12283	2.7
185.11745	4.6
191.10738	2.6
191.14372	17.6
195.10178	9.7
197.15402	5.4
206.08751	3.2
209.06084	2.8
209.08054	3.7
209.11623	2.1
209.15355	31.1
209.17110	2.5
227.07027	13.8
227.17917	3.9
231.48732	1.8
234.48103	1.9
243.19821	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.48858	1.1
53.03946	1.6
55.05514	7.9
56.96564	1.6
57.07082	4.9
67.05512	21.2
69.03403	1.0
69.07075	6.1
69.75524	1.3
69.75935	4.4
70.15826	1.0
71.04999	100.0
71.08633	1.5
72.93788	2.7
79.05499	10.7
81.06603	1.8
81.07066	30.9
83.04978	2.1
83.08624	6.9
84.08148	1.5
85.06551	2.5
85.10185	2.7
91.05513	6.6
93.07055	15.5
95.04966	1.7
95.08614	17.0
97.06541	5.4
97.10165	4.0
98.20856	2.0
99.04483	1.2
99.08118	1.3
100.11259	11.7
105.07036	4.5
107.04932	1.3
107.08595	12.3
109.06508	2.9
109.10161	3.6
111.08078	2.5
113.09648	3.7
113.96399	4.0
117.07018	4.3
119.08569	1.8
121.06493	2.2
121.10142	3.9
125.09641	3.1
131.08557	4.5
131.97429	2.8
133.10127	3.5
135.08034	3.8
135.11693	10.9
138.87653	1.0
149.09618	1.1
149.13271	7.5
150.01859	2.7
151.11215	1.2
153.12776	1.9
157.10191	1.8
159.11734	6.7
163.07541	1.3
163.11139	1.5
167.07008	1.7
167.14246	1.0
171.08063	1.1
177.12737	3.7
183.08078	1.6
186.22113	1.4
189.11200	2.5
191.10614	1.2
191.14314	1.3
195.13828	2.5
209.15361	3.1
227.06955	1.7
227.10519	4.0
227.12738	3.6
227.14413	2.2
227.16257	2.8
227.17990	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1644
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03941	1.5
53.68745	1.0
55.05511	6.3
57.03440	1.6
57.07070	1.7
59.05013	1.2
67.05511	6.1
69.03423	2.3
69.07073	5.4
69.69128	1.1
71.05003	17.1
71.36617	1.9
79.05510	6.3
81.07062	24.1
83.04990	2.9
83.08620	3.0
85.06557	11.5
86.09703	2.8
91.05494	11.4
93.07052	28.3
95.04985	5.4
95.06141	1.0
95.08613	19.3
97.06531	4.9
98.97590	5.8
99.04465	55.0
99.08092	4.3
100.11262	4.4
101.06049	1.0
105.07039	56.4
107.08601	15.4
109.06510	4.6
109.10154	6.2
111.08088	2.4
115.07558	2.7
117.07023	3.8
119.08591	66.7
121.06550	2.0
121.10156	38.8
123.08057	3.1
123.11710	2.8
125.09630	1.6
131.08577	36.3
133.10144	33.6
135.08060	2.4
135.11700	4.0
141.09099	4.2
143.08537	2.9
144.09261	1.3
145.10129	6.7
147.11690	3.4
149.09579	2.3
149.13257	4.0
150.01933	1.5
151.11180	14.4
153.09125	3.5
158.10950	2.4
158.99687	3.7
159.11693	1.2
161.13268	100.0
162.13689	1.5
162.69243	1.1
163.11168	3.9
163.14853	3.4
167.07042	8.4
167.16200	1.6
173.13286	30.6
177.00723	2.3
177.05470	2.2
179.14323	12.5
186.07271	4.3
191.14304	16.9
192.29672	1.2
195.07806	4.3
197.15314	5.0
209.15364	27.2
227.07011	2.8
227.10640	2.0
227.12805	3.8
227.16397	3.3
227.18330	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	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03946	4.5
55.01872	5.0
55.05508	20.3
57.03451	4.0
57.07053	4.4
67.05527	15.5
69.03432	11.7
69.07073	24.6
69.56778	12.0
69.57208	9.4
71.04988	23.7
72.08142	4.2
79.05082	3.1
79.05501	15.1
81.07056	39.1
83.01337	5.1
83.04991	15.1
83.08620	11.1
85.06542	12.0
86.09714	5.6
91.05480	19.4
93.07051	41.6
95.04973	62.9
95.08613	32.1
97.04041	3.4
97.06557	34.9
98.20777	5.4
98.97612	7.5
99.04465	34.4
99.08096	44.2
99.39063	3.1
100.11279	17.6
101.06039	6.7
105.07034	30.6
107.08616	51.8
109.06490	15.7
109.10144	24.4
111.08089	10.9
112.30135	2.9
115.07568	43.2
117.07069	4.6
119.08603	12.1
121.06508	9.7
121.10155	60.8
123.08075	8.7
123.11740	12.5
125.09645	17.6
131.08586	27.9
133.10144	62.1
135.08029	15.7
135.11696	14.9
137.09651	15.8
137.13255	4.1
139.07462	7.6
139.11183	7.4
143.08591	3.7
145.10126	11.3
147.11739	6.5
149.09612	52.3
149.13245	19.8
151.11223	22.8
153.03172	4.4
153.09087	28.1
158.11028	8.9
161.13347	3.4
163.11197	8.1
163.13660	3.7
163.14828	20.3
167.07082	29.1
173.13292	51.4
181.15999	6.1
191.14304	54.3
209.11943	3.9
209.15347	100.0
227.08301	4.0
227.10448	4.9
227.16125	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.01882	3.5
55.05505	8.3
55.80151	2.7
57.07072	5.1
67.05514	11.1
69.03439	7.3
69.07082	17.0
69.29245	22.9
71.04989	14.1
79.05487	11.9
81.07056	29.4
81.07478	3.8
83.04986	6.2
83.08639	6.1
85.06541	4.9
87.04442	3.2
91.05489	21.2
93.07055	42.5
95.04966	8.7
95.08611	35.8
95.14652	2.5
97.05983	2.6
97.06552	13.6
99.04473	14.7
99.08104	6.5
100.11252	8.3
105.07040	37.6
107.08608	47.6
109.06527	7.8
109.10153	9.0
111.08097	14.4
115.07581	8.0
117.07042	8.0
119.08608	25.2
121.06499	3.8
121.10166	27.8
123.08096	5.0
123.11707	9.4
125.09656	5.6
129.09142	5.0
131.08575	42.2
133.10136	35.0
135.08075	7.8
135.11707	18.6
137.09634	5.6
139.07475	4.3
143.08572	5.5
145.10123	19.5
147.11710	9.1
147.73944	2.7
149.05957	3.7
149.09627	6.7
149.13240	8.1
151.11192	7.2
153.09132	4.9
158.10933	19.7
161.13280	10.1
163.07567	4.7
163.14835	21.9
165.12819	3.5
167.07066	18.2
173.13277	100.0
173.14713	6.2
183.13802	5.1
191.14316	45.8
209.08159	5.4
209.15334	19.8
227.16414	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	227.1279
Annotation	Erigerenone B
Peak:m/z	Relative Intensity
53.03934	1.4
55.01871	2.0
55.05268	1.4
55.05515	18.4
57.03427	4.0
57.07059	1.8
59.04993	2.0
67.05504	7.4
68.99797	13.1
69.03422	4.5
69.07088	6.0
70.06562	1.1
70.83074	3.2
71.04993	3.3
72.08157	1.4
72.93796	1.0
73.02896	1.2
79.05500	9.7
81.07049	16.1
83.04973	3.3
83.08623	35.9
85.02898	2.0
85.06544	2.1
85.10186	5.0
91.05489	29.8
93.07050	17.7
95.04373	1.8
95.04973	31.3
95.08595	3.7
96.05699	1.2
97.06514	3.3
97.10149	1.2
99.04465	2.3
99.08081	1.7
100.11272	10.5
101.02399	7.8
103.05483	1.9
104.30573	1.2
105.07029	4.0
107.04948	2.9
107.08602	52.8
109.06522	34.0
109.10155	10.6
111.04465	2.0
111.08089	100.0
113.96397	2.7
119.03396	4.1
119.08598	2.5
121.06506	4.9
121.10129	5.1
123.04427	1.4
123.08073	1.2
125.08788	1.2
125.09649	18.8
127.07566	4.0
129.06982	1.5
131.04890	1.4
131.08571	2.9
131.41690	1.0
133.10185	1.4
135.08060	15.4
135.11679	1.9
137.05959	11.1
140.04681	1.0
141.09166	1.3
143.08534	1.4
145.10117	2.6
149.05989	4.5
149.09624	8.5
150.01880	2.0
151.07535	6.4
151.11179	1.5
153.09114	58.0
155.07069	8.8
159.08022	1.4
161.13268	1.4
163.11168	3.3
167.07066	28.2
167.10686	4.5
169.08614	86.6
171.08080	1.6
171.11746	1.1
173.13211	1.7
177.05544	8.4
177.09120	4.2
181.04959	1.3
181.12154	2.7
185.11743	24.7
185.13374	1.6
191.10631	3.2
191.14259	1.6
195.10184	65.5
209.08112	3.1
209.11757	3.9
209.15082	1.5
227.06960	2.2
227.10571	2.5
227.12685	4.2
227.17732	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03969	3.4
55.01865	6.5
55.05505	4.5
57.03429	2.1
57.07062	5.0
65.03930	2.6
67.05506	21.5
69.03410	3.4
69.07060	7.3
71.04504	4.0
71.04998	17.4
73.02901	5.8
76.40189	1.9
79.05498	24.2
81.03467	2.6
81.07059	9.5
81.87046	1.9
83.04981	8.4
85.06548	100.0
91.05484	17.2
93.07032	23.2
95.04962	8.3
95.08602	2.4
97.06522	4.9
99.08087	4.6
100.11231	2.9
105.07038	15.7
107.04980	11.6
107.08597	29.9
109.06508	6.0
111.04424	11.1
116.06210	1.8
117.06996	6.2
119.08591	17.1
121.05820	1.7
121.06516	15.2
121.10143	23.2
123.04440	4.5
123.08097	2.9
125.05972	9.6
129.06958	6.0
131.08565	68.7
133.10080	2.5
135.08047	3.1
135.11673	5.4
137.09648	5.8
140.04730	11.8
141.05518	2.9
145.10141	26.9
147.08051	6.6
149.05966	2.6
149.09631	58.6
151.03996	2.7
151.11137	2.6
153.05528	4.8
155.07043	19.6
163.03891	4.9
163.07567	3.6
163.11191	26.7
165.09154	11.7
167.07069	13.6
167.10667	33.8
173.09598	7.5
177.05443	3.5
181.04953	35.7
183.03049	3.2
191.10680	61.6
209.08090	5.9
209.11743	62.0
225.12547	2.1
227.06860	2.3
227.09129	4.2
227.12755	30.1
227.17632	2.3
247.79683	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03934	0.9
53.71602	0.3
55.01868	2.5
55.05510	3.9
56.96554	0.5
57.03423	1.2
57.07065	0.8
58.06612	0.6
59.04980	0.7
65.03947	0.4
67.05507	4.5
69.03442	1.9
69.07072	3.2
69.34609	2.2
71.04993	3.1
73.02912	0.4
77.03890	0.4
78.04703	1.6
79.05487	4.7
81.03422	0.8
81.07063	4.5
83.04990	1.7
83.08606	2.1
84.04510	1.8
84.08116	0.6
85.02888	0.6
85.06556	2.4
86.09677	0.5
91.05481	4.1
93.03374	0.4
93.06487	0.5
93.07044	7.7
95.04974	5.1
95.08614	3.7
96.05753	0.3
97.02882	0.6
97.06526	2.1
97.10146	0.8
98.21474	0.5
98.97590	1.0
99.04459	3.2
99.08099	1.5
100.11256	7.6
101.06041	0.6
103.05479	0.8
105.07027	3.6
105.66655	0.4
105.84222	0.3
106.04175	1.7
107.04960	8.4
107.08591	8.7
109.06511	2.2
109.10172	2.0
111.04418	1.3
111.08067	1.2
113.06003	0.8
115.05448	1.2
115.07558	1.3
116.98576	0.4
117.07018	4.4
119.04961	0.4
119.08583	2.7
121.06522	3.6
121.10136	7.4
122.03664	0.4
123.04437	6.1
123.08068	1.8
123.11710	1.6
124.05193	1.8
125.05975	1.6
125.09623	1.1
128.10707	0.4
131.04932	0.5
131.08551	2.5
133.10120	3.2
134.03615	0.6
135.04390	0.5
135.08089	1.8
135.11693	2.3
137.05962	1.3
137.09583	0.9
139.03874	0.5
139.07556	0.5
139.11205	0.7
140.04651	1.6
140.10719	0.5
141.05519	0.4
142.12280	0.6
143.08571	0.4
145.06499	2.2
145.10109	2.9
147.04462	0.4
147.11691	0.7
148.05203	0.3
149.05972	1.7
149.09615	7.7
149.13278	1.6
150.01888	0.4
151.03877	1.1
151.11163	1.3
152.04698	2.0
153.05505	0.8
153.09097	1.4
154.12242	3.3
155.06999	2.0
156.10245	0.5
156.13829	0.8
158.10851	0.4
158.99699	0.4
163.07515	0.4
163.11183	6.3
163.14784	1.1
165.12721	0.3
167.07039	100.0
167.10651	2.9
168.07294	0.4
168.10225	0.4
169.08611	1.4
170.11792	0.6
171.10207	0.3
171.14944	3.7
173.09612	0.8
173.13234	2.6
177.05542	2.8
177.09103	9.1
181.04903	1.5
181.06395	0.3
181.08632	0.4
181.12233	4.7
183.10275	0.6
183.13776	0.3
190.70593	0.4
191.10638	3.1
191.14351	2.3
209.04424	0.4
209.08043	1.3
209.11737	6.9
209.15096	3.1
227.06911	0.5
227.10715	0.6
227.12671	2.0
227.16130	0.3
227.17882	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	227.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01881	6.4
55.05514	5.9
57.03451	3.6
57.07071	5.2
65.03947	3.8
67.05175	3.1
67.05510	26.9
67.32433	2.6
69.03419	3.5
69.07078	8.0
69.46555	15.7
70.60429	2.4
71.05003	18.3
73.02921	12.9
75.85509	1.9
79.05495	27.1
81.03446	2.3
81.07065	11.8
83.04989	8.4
85.06552	100.0
91.05490	15.9
93.03365	2.6
93.07056	23.4
95.04964	11.6
95.08610	8.0
97.06546	6.4
99.08121	4.9
100.11275	6.7
103.05516	2.1
105.07040	20.2
107.04975	9.6
107.08611	32.5
109.06548	5.5
111.04452	15.2
117.07048	5.3
119.08586	17.0
121.06501	18.9
121.10155	21.9
123.04456	7.5
123.11677	4.8
125.05996	8.8
125.09636	2.7
129.07022	6.1
131.08575	65.3
133.07782	2.0
133.10110	2.2
135.04437	2.2
135.11748	2.8
137.05923	2.3
137.09656	6.0
139.11237	2.6
140.04678	12.7
141.05478	2.6
145.10150	25.1
147.08054	4.9
147.11736	2.6
149.06021	7.1
149.09633	77.0
153.05473	6.4
155.07065	26.9
155.08347	3.9
163.03914	5.3
163.11197	28.0
165.09131	10.0
167.07080	21.6
167.10699	36.1
173.09647	6.1
173.13335	2.5
177.05435	4.6
180.02156	2.1
181.04971	49.5
184.12401	2.1
184.54895	2.0
191.10696	51.6
209.08177	9.0
209.11739	60.1
227.09116	7.4
227.12773	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.128
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03937	2.7
54.92076	0.7
55.01862	3.0
55.05515	11.7
56.96541	0.8
57.03426	2.2
57.03699	0.9
57.07062	1.7
58.06587	3.3
65.03945	1.1
67.05515	12.8
69.03423	1.5
69.07079	7.2
69.20412	7.9
71.05004	3.9
72.93789	1.6
73.02917	1.5
78.04705	2.1
79.01859	1.2
79.05083	0.9
79.05502	18.3
81.03401	2.9
81.07067	16.4
83.04974	3.5
83.08633	10.0
85.06542	2.3
89.03918	1.2
91.05485	11.3
93.07052	28.5
95.04987	6.9
95.08620	28.0
97.02889	2.8
97.06532	2.7
97.10164	1.5
99.04458	3.7
100.11266	10.7
103.05489	4.9
105.07061	5.5
106.04200	1.6
107.04960	10.5
107.08603	21.6
109.06512	2.4
109.10136	3.7
111.04459	1.6
111.08084	1.2
113.96400	4.0
117.03391	1.2
117.07046	5.6
119.04922	1.6
119.08604	8.2
121.06524	18.8
121.10152	11.1
122.03674	1.4
123.04449	6.9
123.11691	1.0
124.05206	1.7
125.05974	3.3
125.09644	1.6
129.06937	1.2
131.04935	5.9
131.08530	1.7
131.97421	2.4
133.02859	1.2
133.10101	2.3
134.03633	2.3
135.04414	1.1
135.08090	1.8
135.11707	35.1
137.06010	8.4
140.04684	3.1
143.08562	1.8
145.10141	19.3
147.04411	1.1
148.05226	1.5
149.05995	13.8
149.09496	1.0
149.13260	1.5
150.01834	5.3
151.03928	2.0
151.11177	0.8
152.04706	1.6
153.06989	1.8
153.12837	1.2
155.07022	2.9
157.10162	1.1
159.04448	2.1
160.07512	2.2
162.37955	0.8
163.03873	1.1
163.11198	46.5
163.14890	1.4
165.05418	0.9
167.07060	100.0
173.13164	1.2
176.04672	1.0
177.05496	26.9
181.06346	1.1
181.08615	1.4
181.12239	13.8
191.06976	1.0
191.10742	1.7
191.14290	1.4
194.05777	1.2
194.10190	0.8
197.38177	0.8
199.07591	0.9
201.96220	0.9
203.73827	0.8
209.07954	7.4
209.11786	2.3
209.16687	0.9
212.08379	1.0
220.53661	1.0
224.84941	0.9
227.03522	1.0
227.07024	9.3
227.10449	6.2
227.12769	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.128
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03944	4.3
55.01867	3.6
55.05518	2.0
57.03429	5.2
65.03941	2.6
65.74822	1.2
67.05220	1.3
67.05509	11.9
69.03421	1.4
69.48036	9.0
71.05000	100.0
72.08156	1.3
73.02924	8.8
77.03915	2.8
79.05504	60.4
81.03418	4.2
81.07059	3.0
83.04978	4.9
85.02864	1.5
85.06535	2.8
87.08104	3.1
91.05486	14.0
93.07053	53.0
95.04978	68.6
95.08572	1.3
97.06526	4.6
99.04456	5.2
100.11259	1.7
103.05489	1.8
105.07062	8.0
107.04965	4.0
107.08612	11.4
109.06534	3.0
111.04453	1.4
111.08096	2.6
113.06001	2.9
117.07011	4.5
119.08578	7.0
121.06517	86.7
121.10158	17.5
123.03580	2.1
123.04443	33.0
123.08061	2.3
125.02348	1.2
125.05988	4.2
131.08580	11.4
135.07994	1.7
135.11702	6.9
137.05994	3.1
139.07555	12.4
139.11118	1.4
140.04695	12.9
141.05479	74.5
145.10117	12.3
147.11656	3.2
149.05980	3.0
149.09622	13.0
153.05440	2.3
155.07042	17.6
163.09866	2.9
163.11203	49.5
165.09233	1.5
167.07112	3.4
167.10698	43.5
167.12120	2.2
181.04974	20.8
181.08684	1.3
181.12296	9.5
191.10670	25.8
209.08093	5.1
209.11740	25.1
227.09308	6.0
227.12814	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.01608	1.4
53.03939	4.0
54.76236	1.5
55.01871	5.4
55.05507	2.5
57.03428	4.9
57.47882	1.4
65.03928	4.2
67.05503	10.9
69.07071	1.8
69.73391	8.9
71.05000	100.0
72.57799	1.5
73.02929	13.4
79.05499	65.8
79.40414	1.6
81.03418	3.6
81.07047	4.2
83.04980	2.9
85.02887	2.3
85.06516	3.0
86.09732	2.3
87.08108	2.8
91.05494	14.8
93.07048	54.2
95.04977	65.1
95.08598	3.1
97.06538	7.9
99.04467	6.5
100.11240	3.8
103.05463	2.2
105.07030	7.9
107.04952	4.9
107.08608	14.1
109.06519	3.7
111.04389	2.0
111.08121	2.6
113.05989	3.3
115.69846	1.4
117.07011	4.8
119.08600	9.0
119.89629	1.6
121.06511	91.1
121.10149	18.3
123.03587	2.0
123.04441	31.4
123.08112	1.9
125.05983	4.4
131.08588	12.2
135.08073	2.9
135.11711	7.5
137.05937	2.2
138.73943	1.5
139.07564	11.1
140.04698	14.1
141.05473	69.9
145.10123	14.6
147.11700	4.1
149.06012	2.8
149.09651	18.7
155.07007	22.1
163.11192	46.1
167.07027	3.5
167.10686	55.6
173.09570	3.8
181.04979	26.8
181.12286	10.2
191.10703	22.7
191.14331	2.3
196.77782	1.7
209.08119	4.6
209.11761	27.7
227.09048	8.0
227.12694	11.4
227.17596	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01862	4.3
55.05503	5.7
57.03430	1.9
57.07077	6.6
60.52735	1.3
65.03955	2.1
67.05175	2.2
67.05504	25.3
69.03424	1.8
69.07063	8.4
70.79767	2.7
71.04998	18.6
73.02912	2.5
76.40327	1.3
79.05495	29.8
81.07062	10.6
83.04970	7.6
85.06546	100.0
86.09689	4.8
91.05486	18.3
93.07042	24.0
95.04964	6.8
95.08603	3.8
97.06518	4.1
99.08085	4.8
100.11240	4.6
103.05460	2.4
105.07027	15.3
107.04958	11.3
107.08589	26.9
109.06517	5.1
109.10082	1.3
111.04446	13.8
111.31801	1.3
117.07021	5.4
119.08582	20.6
121.06522	15.0
121.10152	22.8
123.04431	3.5
123.08010	2.0
125.05991	6.0
129.07045	4.6
130.07841	2.1
131.05017	1.7
131.08575	56.6
133.10143	2.9
135.08018	2.4
135.11685	5.0
137.05963	3.8
137.09604	9.0
139.03897	2.2
139.07507	1.6
140.04649	1.4
141.05508	2.5
145.10132	33.5
147.08063	6.7
149.05994	3.9
149.09625	63.6
153.05461	4.1
155.07054	5.0
161.09720	1.7
163.03893	5.5
163.07545	2.6
163.11163	21.5
165.09091	10.2
167.07054	21.5
167.10677	29.8
173.08321	1.4
173.09601	7.6
173.13348	1.8
177.05518	4.6
179.00237	2.0
179.10738	2.1
181.04968	19.9
181.08533	2.0
181.12277	2.9
183.03157	1.6
191.10669	55.2
191.14386	2.1
197.11821	2.8
209.11740	58.9
217.64799	1.4
227.12770	28.0
232.22937	1.3
242.83212	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0916
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
51.02394	0.6
53.03949	1.2
55.01877	5.9
55.05520	1.2
55.33166	0.4
55.33499	0.5
57.03443	1.6
65.03946	6.3
67.05516	3.5
67.46186	0.4
69.03435	2.0
69.07093	1.4
69.50814	2.1
69.51237	1.3
69.72823	0.4
71.05003	7.8
71.72021	0.4
72.75809	0.5
73.02927	38.4
77.03954	0.5
77.51343	0.5
79.05500	5.7
81.03429	0.7
81.07066	1.8
82.04216	1.9
83.04996	0.9
84.08135	0.6
85.02914	4.1
85.06552	1.3
91.05483	4.2
93.03410	2.0
93.07047	7.1
95.04975	10.3
95.08615	0.7
97.02863	0.6
97.06536	3.6
99.04461	0.9
100.11272	1.9
103.05488	1.3
105.04562	0.6
105.07061	3.3
107.04972	2.6
107.08607	5.3
108.02134	0.9
109.06544	1.4
110.03684	3.2
111.04447	1.1
115.07611	0.5
117.07054	1.2
119.08607	1.9
121.04051	0.5
121.06525	7.8
121.10155	5.4
123.00899	0.6
123.04446	10.3
125.02359	2.1
125.05997	3.3
127.07597	0.9
129.07042	0.5
131.08586	6.1
133.10143	1.3
135.08057	1.2
135.11708	1.1
137.05986	1.1
138.03156	1.9
139.07559	1.7
140.04700	47.4
141.05504	5.4
142.02625	2.7
143.06966	0.5
145.10121	2.9
147.11757	0.6
149.06009	1.1
149.09618	9.5
153.05472	4.4
155.07047	75.0
163.11214	5.1
165.09219	1.0
166.06306	0.5
167.07069	10.8
167.10693	20.1
167.12122	1.0
171.06551	2.9
173.08139	3.1
173.13298	0.9
177.05467	0.8
179.07007	2.4
181.04970	100.0
181.08351	4.1
181.12282	1.5
191.10703	4.6
191.14430	0.8
209.08124	23.0
209.11659	6.6
227.09157	27.3
227.12816	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
53.03962	1.4
54.02060	0.4
55.01880	0.7
55.05521	1.1
57.03445	0.5
58.06614	0.5
65.03951	0.5
67.05521	1.0
69.07092	1.0
70.34361	0.9
71.05016	0.9
73.02928	0.5
76.46896	0.4
77.03953	0.6
78.04719	2.6
79.05505	2.5
81.03436	0.6
81.07086	1.6
81.26952	0.4
83.08612	0.7
85.06586	0.7
89.03926	1.3
89.59505	0.4
91.05492	6.6
93.07050	4.6
95.04980	2.2
95.08629	0.7
100.11276	1.2
103.05472	4.9
105.03387	0.7
105.04566	0.5
105.07076	0.8
106.04194	2.3
107.04986	3.1
107.08617	2.2
109.06527	1.4
111.08089	0.9
117.03403	1.0
119.04970	1.4
121.06522	10.6
121.10145	1.1
122.03649	1.3
123.04433	6.0
123.08067	0.5
124.05213	2.0
125.06029	0.6
131.04947	6.5
131.08592	0.8
133.02806	0.7
134.03668	1.9
135.04445	0.7
135.08064	0.7
135.11757	0.5
137.05988	8.8
140.04715	3.0
141.56587	0.5
145.02917	0.8
145.10155	1.0
147.04449	1.2
148.05200	1.8
149.06001	12.7
149.09619	0.9
150.01874	1.1
150.03009	0.5
151.03928	1.7
152.04774	2.1
152.05818	0.6
153.09106	0.7
154.06604	0.4
155.07092	2.0
157.07585	0.5
159.04442	4.3
163.03972	1.1
163.07594	0.6
163.11177	0.7
165.05435	0.8
166.06195	0.6
167.07059	100.0
168.07401	0.6
176.04610	0.5
177.05492	27.7
178.06178	0.6
181.04967	0.4
181.08731	0.8
181.12277	0.9
183.05484	0.7
185.07118	14.1
191.07043	1.7
191.10651	1.0
194.05766	0.8
195.06543	0.5
195.10176	0.5
201.06618	1.5
209.07153	11.6
209.11681	1.2
227.08162	73.6
227.17625	0.9
228.08507	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0817
Annotation	1-Acetyl-8-hydroxy-beta-carboline
Peak:m/z	Relative Intensity
53.03951	0.9
55.01881	0.9
55.05508	1.0
57.03442	0.3
58.06600	0.3
67.05512	0.8
68.56593	0.2
68.99782	0.3
69.03443	0.6
69.07076	1.0
69.46130	2.0
71.05004	0.4
73.02915	0.3
77.03955	0.3
77.90246	0.3
78.04714	1.6
79.01852	0.3
79.05487	1.7
81.03400	0.3
81.07069	1.8
83.08621	0.7
85.06567	0.8
89.03914	0.4
91.05486	4.9
93.07050	3.2
95.04967	1.9
95.08611	0.8
96.69399	0.3
97.06538	0.3
97.10191	0.4
100.11270	2.0
103.05466	4.3
105.07042	0.9
106.04182	1.8
107.04957	2.7
107.08633	1.4
109.06535	1.1
109.10177	0.6
111.04427	0.4
111.08086	1.2
113.96405	0.5
117.03382	0.8
117.07059	0.4
119.04955	0.9
119.08583	0.5
120.05721	0.4
121.05661	0.6
121.06514	7.5
121.10169	1.3
122.03657	0.6
123.04422	4.4
123.08096	0.5
124.05214	1.6
125.06047	0.5
125.09605	0.4
127.69095	0.3
131.04930	3.6
131.08592	0.8
133.02856	0.8
134.03647	1.2
135.04440	0.5
135.08058	0.5
137.05983	6.0
140.04697	2.0
145.02867	0.8
145.10107	0.6
147.04440	0.6
148.05208	0.8
149.05995	9.0
149.09546	1.3
149.13243	0.3
151.03925	1.0
151.11182	0.5
152.04695	1.3
153.09114	0.6
155.05954	0.3
155.07028	1.4
157.07602	1.2
159.04424	1.8
163.03934	0.9
163.07494	0.4
163.11215	0.7
165.05521	0.8
165.06935	0.3
166.06203	0.5
167.07050	68.0
168.07411	0.3
169.08569	0.8
176.04697	0.4
177.05490	19.2
178.06085	0.4
180.07780	0.5
181.04976	0.4
181.07594	0.9
181.08907	0.3
181.12230	0.5
183.05550	1.4
184.06244	0.3
185.07112	18.7
191.06976	1.0
191.10675	0.6
191.14372	0.3
194.05775	1.1
195.06628	0.5
195.10275	0.5
201.06575	2.1
209.06929	18.6
209.11607	0.8
209.15269	0.4
227.08153	100.0
228.08537	0.6
242.48087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.5
57.07080	19.8
58.06601	1.8
67.05502	0.4
68.05038	0.4
69.03433	1.6
69.07072	14.6
70.68134	0.6
70.68455	0.3
71.08640	1.9
72.08167	0.4
74.06073	0.5
74.09724	0.8
81.07043	0.6
83.05038	0.3
83.08620	7.2
83.73769	0.3
85.10172	0.9
86.06065	3.7
93.07033	0.4
95.08593	0.4
97.06519	0.3
97.10174	0.9
100.07628	1.8
111.08099	0.3
114.09146	0.3
114.12784	0.6
135.11684	0.4
142.15938	0.3
147.74118	0.3
152.14357	0.6
153.12766	8.3
156.13835	0.3
170.15417	16.4
171.28271	0.2
198.22218	0.4
226.21669	100.0
227.22055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.9721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04718	2.9
54.53316	3.4
56.96560	5.4
70.06584	11.5
71.15355	3.8
71.15683	3.2
84.08154	53.7
94.19635	3.5
94.36792	2.9
94.93027	12.3
98.97590	4.9
99.22280	3.0
101.00905	8.4
116.07085	6.7
119.01941	6.3
140.00272	3.5
140.47234	3.0
145.03494	5.8
150.95615	100.0
150.96852	5.9
162.36058	3.2
166.95065	8.4
169.03476	3.6
180.96648	11.4
186.04486	5.3
186.06102	7.9
187.04565	4.1
208.96144	24.9
226.97198	42.3
227.08893	3.7
245.09814	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	225.1487
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03958	0.7
55.05510	6.7
57.07079	3.8
59.05008	2.5
67.05513	2.2
69.03443	1.2
69.07075	5.6
70.96437	1.4
71.01359	1.2
71.05001	35.4
71.11112	0.5
79.05494	4.0
81.03419	1.8
81.07072	9.8
82.12582	0.6
83.04993	4.1
83.08621	8.6
85.02914	2.7
85.06560	3.0
91.05493	4.2
93.07066	4.5
95.04981	3.3
95.08619	11.2
97.06541	12.9
99.04465	100.0
99.08112	1.7
101.06020	0.9
105.03404	3.0
105.07040	7.3
107.04934	0.7
107.08607	36.2
109.06532	22.7
109.10147	2.8
111.08091	1.8
111.11716	2.0
113.09661	5.0
115.07622	0.7
119.08585	5.2
121.06554	1.5
121.10162	15.0
123.08082	21.8
123.11723	15.9
125.06013	0.9
125.09647	8.7
127.07567	1.8
131.08562	2.0
133.10158	1.4
135.11678	0.8
137.06010	1.1
137.09637	3.0
137.13330	3.4
139.07596	0.6
139.10260	0.7
139.11209	4.7
141.09097	1.1
141.12758	2.0
145.10149	1.1
147.08118	0.6
147.11725	9.5
149.09633	10.5
151.07533	1.9
151.11203	3.1
153.12779	0.8
155.10606	1.2
156.09331	0.7
161.09607	2.1
161.13277	2.5
163.03929	1.2
163.11169	1.5
165.05499	1.1
165.09128	0.7
165.12785	15.7
167.10692	31.7
171.11713	1.3
179.10732	1.1
179.14297	2.9
181.04967	0.9
183.13829	40.5
189.12709	4.9
207.06523	2.3
207.13814	10.7
225.07465	1.4
225.14847	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Annuionone A
Peak:m/z	Relative Intensity
52.57673	0.9
53.03945	1.6
55.01870	1.6
55.05507	5.1
56.96563	2.5
57.07065	1.4
58.06596	2.6
59.04992	2.2
67.05496	2.6
69.03426	2.8
69.07065	3.2
69.63283	1.3
69.63688	4.9
70.77908	1.0
71.04996	36.7
72.08158	4.6
79.05487	3.9
81.03401	1.8
81.07063	8.1
83.04998	3.2
83.08617	8.4
85.02905	3.0
85.06556	1.4
88.21412	1.1
91.05484	16.3
93.07034	5.1
95.04958	3.6
95.08615	8.0
97.02881	1.1
97.06548	2.8
97.10172	1.0
99.04458	100.0
101.95035	1.8
103.05467	1.0
105.01894	0.9
105.03397	4.0
105.07044	7.0
107.04973	2.2
107.08597	36.2
109.06522	24.5
109.10162	1.3
113.09648	4.1
118.04166	1.9
119.04946	16.8
119.08611	5.8
119.96100	1.0
121.06476	1.5
121.10148	9.7
123.04431	2.8
123.08070	20.2
123.11717	14.1
125.06004	2.1
125.09645	6.4
131.08591	1.7
132.02089	1.5
134.13812	1.0
135.11641	1.2
137.05965	2.9
137.09598	2.9
137.13245	1.3
139.11201	2.6
141.09030	1.1
141.12718	1.4
145.10115	1.4
147.04436	14.3
147.08095	1.0
147.11691	8.1
149.02338	2.3
149.09641	10.4
151.07538	2.6
151.11200	4.3
155.06999	1.8
157.04008	1.5
160.07616	1.3
161.09679	1.7
161.13231	1.6
163.11189	2.2
164.04655	1.3
165.05525	1.4
165.09137	1.9
165.12762	11.8
167.06966	1.2
167.10687	31.4
171.11778	1.2
175.03912	22.9
175.05296	1.5
179.07077	1.2
180.57066	1.2
181.12242	1.2
183.06546	3.1
183.13823	33.7
189.12764	2.8
192.04225	7.7
193.04984	2.4
207.06532	33.0
207.10184	1.8
207.13745	6.4
224.30438	0.9
225.05421	1.1
225.07330	1.5
225.09157	2.6
225.11153	1.6
225.12868	1.3
225.14827	23.5
225.16901	1.3
233.08499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.99804	0.6
57.07068	1.5
62.21385	0.8
67.05512	4.2
68.68197	0.7
69.03448	1.0
69.07095	0.8
69.88697	0.6
70.82318	1.9
71.05000	0.9
79.05496	2.5
81.07068	18.9
85.02913	100.0
91.05499	1.4
93.07056	3.1
95.08601	4.7
99.04457	1.7
105.07036	3.6
107.08611	3.3
109.06535	1.6
109.10165	12.1
111.04493	1.1
119.08584	4.1
121.10146	7.3
121.10811	0.7
123.08069	1.6
123.11719	86.8
125.06020	7.2
131.08615	1.5
137.09592	0.8
145.10139	2.2
147.08055	2.6
147.11694	4.3
149.09642	9.6
151.07559	2.7
161.09669	0.7
161.13281	1.6
163.11255	1.5
165.09099	1.0
165.12752	1.8
169.08659	0.9
171.11780	1.6
189.12753	5.1
191.80914	0.8
207.13820	21.9
207.15756	1.2
225.14931	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	225.1487
Annotation	(+)-7-Isomethyljasmonate
Peak:m/z	Relative Intensity
52.74628	0.5
53.03946	0.6
54.61717	0.5
55.01867	2.2
55.05507	1.2
57.03440	0.8
57.07066	1.8
59.04993	2.2
65.03933	0.8
67.05514	5.5
69.03431	4.8
69.07086	2.9
69.78049	2.8
71.04994	0.9
79.05502	4.5
81.03439	3.3
81.07059	12.1
83.04996	1.7
83.08585	0.6
87.04477	2.4
87.42394	0.5
87.93510	0.5
91.05490	2.5
93.07053	6.7
95.04976	100.0
95.08610	7.2
97.02912	3.2
97.06556	2.7
99.04456	1.8
105.07043	6.1
107.04967	0.9
107.08614	2.3
109.06521	13.6
109.10161	3.7
111.08074	1.5
113.06010	1.0
115.03939	16.6
119.08597	4.2
121.06564	2.5
121.10168	2.2
123.08083	5.8
123.11752	0.9
125.06007	7.2
127.07622	1.4
131.08546	1.9
133.06523	0.7
133.10149	7.6
135.11621	0.6
137.09634	1.2
139.07547	2.2
143.08595	2.1
145.10156	2.1
147.08047	1.1
147.11685	2.1
149.09727	1.2
151.07552	28.6
151.11182	1.9
156.09387	1.1
159.11725	2.0
161.13263	3.4
163.11191	1.8
165.12717	0.6
169.08617	25.2
171.11711	3.8
177.12746	1.8
187.09738	0.6
189.12718	4.9
207.13814	7.3
209.52853	0.5
225.14861	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	225.1486
Annotation	Annuionone A
Peak:m/z	Relative Intensity
55.05503	3.6
69.48562	4.0
69.48976	3.3
71.04997	34.7
79.05479	3.2
81.07050	4.2
83.04973	1.4
83.08616	4.4
93.07037	1.4
95.08576	5.0
98.21454	2.3
99.04460	100.0
105.07032	3.6
107.08596	29.9
109.06525	21.5
109.10175	1.4
113.09656	4.0
119.08563	1.2
121.10143	10.6
123.08069	15.3
123.11716	10.3
125.09631	6.8
133.32607	1.1
136.06181	1.0
137.09657	1.5
139.11156	2.7
147.11671	4.2
149.09622	7.9
165.12775	10.4
167.10681	31.7
178.50815	0.9
183.13823	31.8
189.12804	1.9
207.13953	1.5
225.14861	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.32174	1.8
51.82958	1.7
53.03927	2.0
55.01880	2.2
55.05503	6.2
57.07065	2.5
59.05000	3.3
67.05505	9.5
69.03422	3.5
69.07057	7.4
70.03532	6.9
71.05004	27.1
79.05511	10.7
81.07062	22.2
83.04961	4.4
83.08614	4.9
85.02907	29.7
85.06549	3.4
87.04449	3.8
91.05492	13.2
93.07053	23.4
95.04958	7.3
95.08616	18.2
97.06517	6.8
99.03854	3.8
99.04465	57.1
101.95071	1.8
103.58067	1.8
105.03408	2.6
105.07037	25.4
107.04981	2.4
107.08609	32.4
109.06533	17.8
109.10171	17.4
111.04411	2.0
111.08106	4.0
113.09616	2.9
115.07550	2.4
117.07052	2.6
119.08600	23.9
121.06518	4.0
121.10158	42.6
123.08094	15.0
123.11720	29.0
125.06026	2.7
125.09643	4.8
127.07528	1.9
131.08559	5.8
133.06483	2.6
133.10132	8.1
135.08034	4.8
135.11693	5.2
137.09621	24.3
137.13275	4.1
143.08582	2.8
145.10139	10.5
147.08032	5.0
147.11726	23.8
149.09634	100.0
151.07562	8.1
151.11192	9.5
156.09344	4.1
161.09578	3.1
161.13260	18.6
163.11143	4.7
165.05534	1.7
165.09102	3.1
165.12764	11.7
167.10680	18.7
169.08607	2.6
171.11649	9.0
174.10416	5.2
177.12811	2.4
179.14252	4.5
183.13829	14.4
184.95111	2.0
186.65881	1.8
189.12766	40.1
207.13821	51.5
225.14867	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05514	4.8
56.96560	1.5
57.03435	1.3
57.07081	2.5
59.04997	1.6
60.04795	0.9
62.44584	0.8
63.56005	0.9
63.96070	1.2
67.05491	2.3
69.03431	2.3
69.07053	2.4
69.57600	1.0
69.61465	6.5
71.05000	37.9
72.26468	0.9
73.76788	0.9
79.05517	5.7
81.03418	1.3
81.07057	8.8
83.04995	3.3
83.08623	7.6
85.02922	6.1
85.69030	1.0
91.05488	5.6
93.07045	7.5
95.04971	4.4
95.08620	10.8
97.06543	5.1
97.10188	1.2
99.04466	100.0
99.08146	1.2
100.11230	1.4
105.03401	2.7
105.07048	9.3
107.08606	36.5
109.06529	26.5
109.10154	3.8
111.08109	1.9
113.09634	4.2
115.03992	1.0
119.08597	6.1
121.06584	1.6
121.10168	14.3
123.08076	18.8
123.11720	14.8
125.05999	3.8
125.09653	8.3
131.08589	4.1
132.38324	0.9
133.06444	1.0
133.10136	4.1
135.08069	1.1
137.09639	3.2
139.07642	1.3
139.11168	2.6
141.12820	1.7
144.95354	1.1
145.10126	3.1
147.04372	1.1
147.08057	2.1
147.11702	8.9
149.09641	13.0
151.07533	4.7
151.11220	2.6
152.51849	1.1
156.09325	1.3
159.11725	2.9
161.09642	1.9
161.13281	4.3
163.11205	2.5
165.12770	11.6
167.10689	27.5
171.11674	2.3
175.26051	1.0
177.05476	2.5
179.10742	1.1
179.14360	1.5
183.13834	33.8
189.12750	7.2
195.13829	1.5
207.06586	1.6
207.13808	11.1
225.14864	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	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.78008	2.1
53.03945	3.6
55.05502	7.5
56.96564	2.7
57.03426	3.2
57.07078	11.3
67.05490	9.5
69.03420	8.3
69.07068	9.5
69.55755	9.6
69.56174	6.5
71.05000	38.9
72.08145	4.9
79.05500	12.6
79.64865	2.3
81.07063	20.9
83.04961	8.5
83.08150	2.1
83.08583	5.1
84.04494	2.8
84.08110	3.6
85.02901	8.9
85.06544	7.0
86.09695	9.9
87.04435	4.5
91.05481	19.1
93.07068	18.0
95.05007	10.9
95.08616	21.3
97.02885	7.3
97.06515	7.2
97.96750	2.2
98.02642	2.0
98.21490	4.8
98.97597	18.0
99.04463	100.0
99.41516	2.2
105.03375	5.6
105.07048	21.3
107.04958	3.9
107.08604	41.4
109.06529	27.7
109.10156	8.2
110.97577	2.3
111.08060	2.8
113.09641	4.6
115.03899	2.9
116.98621	3.7
118.22629	2.2
119.04958	15.7
119.08598	26.7
121.02883	2.7
121.10155	68.5
123.08076	34.3
123.11700	16.8
124.99126	4.3
125.06004	14.0
125.09631	10.7
127.07508	3.5
131.08557	7.0
133.10170	5.3
134.05977	5.7
135.08081	4.6
135.11699	4.9
137.09615	6.2
137.13251	6.1
139.11223	4.4
141.09122	2.6
143.00208	3.4
143.08614	2.3
145.10106	5.5
146.02255	4.0
147.04408	11.1
147.11703	14.1
149.09624	22.0
151.07542	8.0
151.11218	5.3
158.99648	4.3
161.13284	17.8
162.05525	20.2
163.11177	25.4
164.07074	10.9
164.21780	2.6
164.31035	2.3
165.12794	20.0
167.10681	34.2
171.11731	5.3
171.27267	2.6
175.03880	15.4
179.08133	2.5
179.14328	27.3
180.06563	2.7
181.12251	4.4
183.06519	3.8
183.13799	33.7
189.12756	12.4
190.04961	10.5
192.04131	7.1
193.04749	2.4
197.12790	3.1
201.00722	3.1
204.06487	9.7
204.56639	3.5
207.06438	13.8
207.07768	13.9
207.13818	43.3
208.06102	12.4
213.07062	3.9
213.57236	3.0
225.08990	2.6
225.14851	51.6
226.14290	2.3
240.07867	2.6
249.02884	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	225.1485
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
51.02351	0.1
55.01867	0.2
55.05296	0.1
55.05518	1.3
56.96561	0.2
57.03436	0.2
57.07083	2.1
58.06595	0.7
60.08148	0.5
65.03932	0.3
67.05512	2.2
69.03423	0.3
69.07076	1.5
71.05003	0.8
71.08623	0.3
71.52355	0.2
72.08148	0.5
79.05496	1.1
80.06271	0.3
81.07066	4.2
83.01352	2.9
83.04974	0.4
83.08630	0.4
85.02912	0.5
85.06532	0.4
91.05494	2.3
93.07060	0.8
95.04984	0.9
95.08620	3.7
97.06541	0.2
97.10159	0.2
99.04458	1.1
99.08099	0.2
101.02390	0.7
101.95039	4.8
102.99745	0.1
105.03410	0.9
105.07047	1.2
107.04940	0.2
107.08608	0.5
108.05742	0.3
109.02856	0.2
109.06528	2.1
109.10151	1.8
111.04445	0.4
111.08089	0.3
113.06064	0.2
117.07035	0.2
119.04937	0.2
119.08588	0.8
119.96084	1.7
121.06468	0.3
121.10151	0.3
123.04405	0.2
123.08067	1.3
123.11732	0.4
125.06020	0.4
125.09648	0.2
126.06763	0.3
127.03921	1.5
133.06454	0.3
133.10126	0.2
137.05981	0.7
137.09605	0.3
137.97115	0.9
139.07520	0.3
142.97676	0.7
147.04373	0.3
147.08076	0.2
147.11711	0.3
148.03972	0.2
148.07555	0.3
149.09601	0.3
151.07590	1.1
151.11214	0.3
152.06049	0.2
153.04306	0.3
153.05482	3.7
154.06265	12.8
155.07127	0.3
160.98730	2.1
161.09612	0.2
161.13242	0.3
165.09195	0.2
165.12677	0.2
167.07129	0.2
167.10721	0.2
168.07835	0.4
175.03954	0.4
178.99791	0.7
179.14281	0.2
181.06387	0.2
181.59767	0.2
184.00371	0.2
189.12799	0.2
195.59439	0.4
196.65625	0.2
197.15469	0.3
207.06454	0.4
207.13766	0.4
225.14871	100.0
226.12344	0.3
226.15208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1124
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
51.65172	1.4
52.68393	1.5
53.03944	3.3
53.80262	1.4
55.01862	9.8
55.05499	4.7
57.03442	25.3
57.07072	3.5
58.06604	4.4
59.04997	2.3
65.03942	3.0
67.05504	10.7
69.03424	6.3
69.07075	8.7
71.05000	75.0
71.38092	2.8
72.08154	5.1
76.07647	1.9
79.05499	20.3
81.03414	6.5
81.07066	23.0
83.04984	6.4
84.08143	3.0
85.02911	5.2
85.06548	10.9
87.04472	1.9
91.05483	46.2
93.07052	20.3
95.04979	71.1
95.08607	9.9
97.02905	5.1
97.06543	6.7
99.04469	5.4
104.31884	1.6
105.03410	7.4
105.06399	2.9
105.07053	38.9
107.04958	22.8
107.08601	9.7
109.02892	11.6
109.06529	32.6
109.10179	5.9
111.04420	3.5
113.02311	1.8
113.06087	2.4
115.03926	7.6
117.06306	1.5
117.06994	8.6
118.04181	2.7
119.04935	18.3
119.08591	39.2
121.02905	2.0
121.06530	7.3
121.10146	7.4
123.04430	9.1
123.08087	16.3
123.11732	1.8
125.06014	9.6
127.03959	4.0
127.07569	1.5
128.06215	5.2
129.07030	7.2
131.08527	3.4
132.05727	2.7
133.06476	8.6
133.10139	33.9
135.04424	4.3
135.08029	3.2
135.11684	2.4
137.05994	74.6
137.09621	10.5
141.05528	2.9
143.08565	15.4
145.06485	2.2
145.10123	4.3
147.04408	14.3
147.08055	32.8
147.11673	3.5
149.02274	2.1
149.05986	3.8
149.09656	2.6
151.07556	77.6
151.11166	9.5
153.05473	13.1
155.07002	4.0
157.05057	2.6
161.09630	43.4
161.13249	3.1
163.03944	1.6
163.07573	2.8
163.11192	19.7
165.05510	6.8
165.09126	19.5
167.10693	3.3
169.04922	3.8
169.08636	13.1
171.11659	2.8
175.03920	19.4
179.09114	3.6
179.10689	67.9
181.12233	5.4
183.06622	6.7
189.09131	16.9
189.12741	5.5
192.04199	7.9
192.36287	1.6
207.06587	31.5
207.10182	100.0
207.13789	9.5
209.11771	1.6
225.09204	3.8
225.11188	39.2
225.14651	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	225.0761
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.02380	0.6
65.03947	2.1
67.05514	0.5
71.06939	0.7
71.07270	0.5
77.03936	1.1
79.05501	1.0
81.07040	0.6
85.02918	1.8
88.28439	0.4
89.03916	1.6
91.05494	35.7
93.07040	1.2
95.04980	1.1
99.04462	0.5
103.05467	1.7
105.03435	1.3
105.04564	0.5
105.07072	0.6
107.04977	0.6
107.08656	0.6
108.05788	0.9
109.10204	0.6
117.03392	1.0
118.04167	5.0
119.04962	43.6
119.08546	0.6
121.02876	0.7
121.10175	0.8
123.04479	0.7
123.08103	0.7
123.11691	1.4
129.03412	0.9
132.02089	3.8
133.02881	1.0
135.04486	1.3
136.05222	1.4
137.09677	0.6
145.02869	0.8
146.03633	1.7
147.04433	37.2
147.11746	0.7
149.02350	4.8
149.09520	0.6
151.07523	0.6
157.03990	4.7
160.01581	0.5
163.03958	1.4
164.04723	5.2
174.03148	1.4
175.03931	65.4
177.01874	2.5
179.07033	3.7
181.08626	0.6
183.06573	0.8
192.04207	20.2
193.04945	0.6
207.06555	100.0
208.06917	0.6
225.07504	1.0
225.14941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43253	1.6
50.57898	1.8
53.10117	1.8
56.96572	2.0
65.37907	1.9
69.71149	4.5
69.71563	7.7
72.91611	1.8
81.32799	1.6
82.99861	7.4
84.96015	2.4
98.21471	3.9
98.97596	4.9
101.00892	69.7
101.95081	2.2
119.01931	100.0
120.20845	1.7
124.02452	13.1
137.02959	14.0
140.98834	2.6
142.03511	69.3
142.04630	3.9
143.01872	2.8
158.99913	6.2
160.04530	9.8
160.61646	1.8
161.02951	39.9
167.21326	1.9
174.00653	1.9
177.00986	20.3
178.01051	2.9
179.04025	36.9
181.49016	2.2
182.99744	5.1
184.04587	7.8
190.49606	7.2
199.50111	10.4
199.99911	2.1
201.00798	6.0
202.00482	1.9
202.05659	4.1
211.00996	3.0
217.04022	3.6
219.02007	23.1
220.02299	2.4
238.95592	5.6
243.02055	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	224.2011
Annotation	N-Isobutyldeca-trans-2-trans-4-dienamide
Peak:m/z	Relative Intensity
52.42515	0.5
53.03946	3.2
55.01871	0.8
55.05516	7.6
57.07079	44.0
57.22766	0.6
65.03901	0.5
67.05505	14.5
69.03438	0.8
69.07075	23.7
69.57616	0.5
70.06589	1.7
72.04516	1.3
72.08144	2.3
72.42285	0.5
73.53228	0.6
74.09724	20.9
79.05499	2.8
81.03425	14.9
81.07068	10.6
83.04981	3.1
83.08631	9.2
84.04512	1.5
84.08157	0.8
86.06092	1.1
91.05476	1.6
93.07023	1.6
95.04983	4.4
95.08586	1.8
97.06538	0.8
98.06068	3.4
100.07619	1.7
100.11260	1.4
101.95048	0.8
105.07039	2.7
107.08591	3.3
109.06508	1.7
109.10164	9.8
112.07617	1.5
120.86192	0.5
121.06537	0.6
123.11714	2.5
125.13280	0.9
126.09177	0.7
128.10712	0.9
133.10156	4.1
142.12276	1.6
147.80438	0.6
150.09142	2.8
151.11179	4.0
154.12305	0.8
156.13843	1.9
168.13860	4.8
170.15413	0.6
178.08633	4.5
182.10005	0.5
182.19096	1.4
192.49660	0.5
224.09207	1.6
224.20107	100.0
231.27686	0.7
233.82199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.201
Annotation	N-Isobutyldeca-trans-2-trans-4-dienamide
Peak:m/z	Relative Intensity
55.05510	16.4
57.07081	100.0
58.06590	2.2
67.05510	26.7
68.60265	1.5
69.07073	45.8
70.06593	1.5
70.66091	3.3
72.04505	1.7
72.08150	5.3
72.10182	1.3
72.40579	1.3
74.09723	64.9
79.05492	3.3
81.03399	1.5
81.07067	20.1
82.07402	3.4
83.04975	6.2
83.08628	18.7
84.04452	1.5
84.05289	1.8
86.06062	4.8
91.05470	3.6
93.07043	3.3
95.04982	2.7
95.08607	9.8
98.06063	21.2
98.21154	3.0
100.07601	6.9
101.95049	4.5
103.42982	1.4
105.07024	6.8
107.08627	7.1
109.06519	2.2
109.10162	40.7
112.07603	2.0
116.10712	3.0
123.11692	7.9
123.46099	1.4
124.12047	4.3
125.13243	4.7
126.12861	2.1
133.10153	9.9
135.22598	1.5
140.10701	2.3
142.12282	5.7
151.11169	7.6
154.12244	8.0
154.13341	1.5
155.12994	1.5
156.13809	4.8
168.13872	3.9
169.50697	1.4
170.15353	1.7
183.06485	1.7
221.95569	1.3
224.09126	2.3
224.20099	88.1
225.14748	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2058
Annotation	Laggerol
Peak:m/z	Relative Intensity
55.05515	14.8
57.07079	10.8
59.04990	2.1
60.08144	1.4
62.06863	1.3
63.79823	1.3
67.05511	12.8
69.07073	34.9
71.04996	3.3
71.08648	6.7
71.52971	2.1
73.06549	2.0
79.05484	6.0
81.07066	31.5
83.04977	4.4
83.08623	11.5
84.05273	1.3
85.06539	1.7
86.05936	1.3
91.05482	3.4
93.07053	22.9
95.04959	1.4
95.08614	33.0
97.06528	3.9
97.10184	10.1
99.08100	4.1
105.07026	2.8
107.08606	19.4
109.10165	24.7
111.08108	1.5
111.11726	3.3
113.09645	4.8
117.06985	1.6
119.08578	2.3
120.04483	10.0
121.06573	1.9
121.10153	17.5
123.08071	1.8
123.11715	21.6
125.09621	3.8
127.11198	1.9
135.11705	19.3
137.13272	10.3
139.11160	4.2
149.02351	15.2
149.13272	33.8
153.12781	2.9
161.05995	2.7
163.14832	3.1
177.86661	1.4
178.04921	2.3
178.06311	2.3
182.48613	1.4
193.08656	2.2
205.06129	2.4
205.19527	25.4
223.05846	1.7
223.07721	2.3
223.10931	11.3
223.13327	2.9
223.20584	100.0
234.85883	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	51.7
57.07087	26.8
69.06740	6.0
69.07081	100.0
71.08652	18.8
81.07053	6.2
83.08633	48.5
83.13198	4.6
85.10183	5.7
89.74234	4.3
97.10181	49.2
99.86034	3.5
111.11752	23.7
120.04482	19.7
125.13258	6.7
149.02350	14.5
198.43921	3.9
204.12749	3.9
223.10873	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	223.206
Annotation	Laggerol
Peak:m/z	Relative Intensity
55.05519	56.2
57.03384	3.9
57.07082	23.4
59.04991	7.2
67.05501	18.3
69.03417	5.2
69.07072	44.8
69.35666	30.1
71.04990	14.4
79.05492	8.7
81.06673	3.8
81.07070	51.2
83.04983	9.9
83.08636	20.0
84.08110	4.1
85.06491	4.1
87.03999	4.1
87.17880	3.9
91.05470	13.8
93.07033	28.3
95.04999	7.6
95.08610	38.2
97.02856	4.5
97.06548	6.8
97.09547	6.6
97.10178	100.0
98.97581	8.6
99.08064	5.1
103.05441	7.3
105.03390	14.6
105.07021	16.1
107.08589	26.5
109.06558	5.0
109.10166	49.4
115.05415	10.7
116.98651	4.7
117.07024	14.0
119.08526	6.2
120.04457	11.7
121.10119	17.7
123.08078	7.0
123.11717	91.6
123.69428	4.2
125.05986	5.9
125.09664	10.5
127.11187	10.6
131.05008	6.0
131.08557	5.0
135.04445	5.3
135.08037	6.8
135.11702	44.1
137.05928	5.0
137.09677	4.7
137.13242	16.3
139.07489	6.0
141.12735	10.3
145.06595	20.3
145.10175	7.6
149.02377	43.6
149.13264	47.5
153.12723	14.3
159.11684	8.7
161.05992	9.6
161.41881	4.0
163.03914	4.2
163.07587	8.5
163.11143	8.1
163.14680	6.8
167.07083	4.8
173.06047	8.6
175.00082	3.9
177.00798	8.3
177.09219	5.0
177.12743	6.6
178.06314	9.8
185.83624	4.6
187.14893	5.5
191.06976	13.0
193.08696	6.3
205.12234	10.7
205.19562	68.7
223.06073	16.0
223.09666	24.2
223.11189	13.7
223.13054	40.0
223.16893	10.8
223.20604	81.1
225.04184	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	223.1331
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03955	2.5
55.01873	2.9
55.05512	3.6
57.03429	1.7
57.07090	1.4
63.65585	0.9
64.96135	0.9
65.03932	1.1
67.05499	5.1
69.03443	8.3
69.07083	2.6
69.76839	4.9
70.06585	1.1
71.01338	2.5
71.04980	2.3
74.57527	0.9
79.05499	15.8
80.52005	1.1
81.03425	1.4
81.07067	6.8
83.04991	4.3
84.08147	2.6
85.02901	1.1
85.06541	1.2
86.09739	1.2
87.04483	1.6
89.24664	1.0
91.05489	16.5
91.35944	1.0
91.52460	0.9
93.03424	1.2
93.06488	1.3
93.07054	20.3
95.04967	6.1
95.08608	3.7
97.02880	2.0
97.06532	2.8
99.04456	2.8
103.05444	1.4
105.03406	1.5
105.07047	12.0
107.04974	13.7
107.08598	7.4
109.06520	4.1
109.10113	2.3
111.08108	2.8
113.06028	2.4
117.07024	5.5
119.08611	9.6
120.08101	2.0
121.02821	1.4
121.06528	13.6
121.10147	16.9
123.08089	4.2
125.05996	1.3
125.09638	22.6
129.07024	3.7
130.07791	1.1
131.08635	5.0
133.10126	3.1
135.08080	4.8
135.11713	4.3
137.05969	2.4
137.09596	8.2
139.03879	1.2
139.07581	3.4
142.07797	2.2
144.09334	4.8
145.06487	2.4
145.10149	7.0
147.08075	3.1
147.11769	1.7
149.02332	5.0
149.06015	2.5
149.09634	100.0
151.11205	2.0
151.29839	1.0
157.06534	0.9
157.10097	4.2
159.08080	1.6
159.11719	12.0
161.09634	4.2
163.03929	1.6
163.11174	9.0
164.14372	1.2
165.09114	3.9
167.07063	2.6
169.10284	1.2
172.08846	6.8
174.82338	1.1
175.11205	9.8
177.09096	2.1
177.12769	9.0
179.10689	1.2
181.12311	1.1
187.11183	23.6
195.13708	1.4
205.12251	20.1
206.09071	0.9
223.06038	3.0
223.11188	1.4
223.13263	22.9
225.04340	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1331
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03937	4.3
55.01867	3.4
55.05507	5.0
57.03426	4.3
57.07070	3.1
59.05002	3.7
65.03947	3.5
67.05180	2.1
67.05508	24.1
69.03433	9.4
69.07078	17.6
70.06565	1.8
71.01335	2.7
71.04979	7.8
71.48395	2.9
79.05498	30.4
81.03429	3.2
81.06600	3.9
81.07065	65.4
83.04982	10.1
83.08646	2.0
84.08165	13.0
85.02441	2.9
85.02914	39.6
85.06541	3.8
86.09695	8.3
91.05486	26.6
93.07050	55.3
95.01317	14.5
95.04382	2.3
95.04971	31.4
95.08620	16.3
97.02865	3.9
97.06544	15.0
98.97599	4.1
99.04455	9.6
103.05467	6.6
105.03397	3.5
105.04531	1.9
105.06406	2.9
105.07039	33.8
107.04962	12.0
107.08599	27.2
109.02901	2.6
109.06554	16.4
109.10155	25.0
111.04399	3.6
111.08076	3.9
113.02387	19.5
113.05981	3.7
117.07029	12.1
119.04958	2.2
119.08588	38.8
120.08074	3.5
121.06521	47.1
121.10133	19.9
123.04454	16.6
123.08053	10.3
123.11685	2.7
125.09639	3.2
129.07001	3.1
129.10234	5.6
130.06525	2.1
130.07764	2.6
131.04959	3.8
131.06837	6.0
131.08554	10.9
133.06454	5.9
133.10112	6.9
135.08037	7.8
135.11708	9.1
137.06012	10.4
137.09624	12.4
139.07501	5.2
143.08521	2.9
144.09319	5.3
145.06471	10.0
145.10144	20.9
146.07271	2.0
147.08055	7.2
147.11604	2.0
149.02422	11.0
149.05995	100.0
149.09612	5.6
149.13251	7.0
151.07556	4.5
157.10149	2.7
158.07320	2.6
159.06352	2.8
159.08064	8.0
159.11699	41.9
161.09673	8.6
163.07513	7.4
163.11192	20.1
165.09117	5.0
166.09483	3.6
167.07062	53.7
169.10062	3.5
172.08832	4.0
175.11205	2.4
177.07408	7.1
177.08887	3.5
177.12798	12.4
179.10542	4.0
180.11026	8.8
181.08572	2.5
181.12177	3.1
187.11238	17.3
192.11107	4.6
194.12646	2.5
205.12225	32.9
223.06021	6.5
223.11223	2.2
223.13284	35.6
223.15265	19.9
223.17139	3.2
225.04280	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	223.133
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
55.05514	15.3
57.07113	3.1
59.05014	2.6
67.05512	5.0
69.03445	5.7
69.07068	3.4
71.04984	5.9
71.52847	3.5
71.53576	2.6
72.67838	2.6
79.05487	9.2
81.07064	5.7
83.04993	12.0
83.08154	4.4
83.08630	68.4
85.02892	3.1
85.06526	3.2
91.05478	10.9
93.07028	8.2
95.00422	2.5
95.04984	4.1
95.08613	7.3
96.35002	2.4
97.02906	27.6
97.06532	5.6
99.04442	4.9
102.19836	2.5
105.07034	11.8
105.62414	2.9
107.08607	100.0
109.06493	3.4
109.10147	6.3
111.08060	3.8
117.07043	4.5
119.08607	18.5
120.04499	7.7
121.06535	2.4
121.10175	21.7
122.71256	2.7
123.08070	5.1
125.06012	4.5
125.09646	73.4
131.08594	4.6
133.10175	3.1
135.11700	12.5
137.09604	8.3
139.07561	3.9
144.09315	3.1
145.10121	8.9
147.08054	11.4
149.02350	16.0
153.12720	8.5
159.11693	14.8
163.11209	30.4
165.01057	2.6
165.09134	11.7
177.12759	8.2
181.12242	35.7
187.11156	3.0
199.72910	2.9
205.12259	17.3
223.05908	5.3
223.11034	8.3
223.13345	14.7
223.16951	4.1
223.20569	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	223.1079
Annotation	Phe-gly
Peak:m/z	Relative Intensity
55.05508	0.8
56.96559	0.4
57.07064	0.3
60.67872	0.3
67.05509	1.7
69.03422	0.8
69.07073	0.9
69.69625	0.7
69.70020	0.8
70.06583	1.0
71.01357	0.4
71.04991	1.1
72.08144	0.5
73.02898	0.3
79.05511	1.9
81.03413	0.9
81.07066	3.3
83.04980	1.1
83.10006	0.3
84.04529	0.5
84.08138	1.2
85.02908	2.6
86.09718	0.6
89.90405	0.3
91.05482	2.9
93.05450	0.3
93.07068	2.9
95.04975	1.6
95.08614	1.2
97.02892	1.0
97.06530	1.0
98.97614	0.6
99.04467	0.8
103.05482	3.5
105.03378	0.5
105.07022	2.3
107.04963	1.9
107.08605	1.8
109.02869	0.5
109.06560	0.5
109.10172	1.2
113.02364	1.1
114.60452	0.3
117.07034	0.7
119.05017	0.4
119.08555	2.0
120.08116	100.0
121.02837	0.3
121.06516	2.2
121.08428	0.3
121.10161	1.3
123.04440	1.0
123.08070	0.7
125.09649	0.5
129.07051	0.4
129.10266	0.5
131.04921	2.5
131.08551	0.7
133.10130	0.4
135.08057	0.9
135.11765	0.4
137.05975	0.6
137.09671	0.6
145.06506	1.4
145.10161	0.9
147.08002	0.6
149.02357	2.8
149.05991	7.1
149.09691	0.4
149.13229	0.3
158.99710	0.4
159.11699	2.3
161.09648	0.4
161.13428	0.4
163.11250	1.4
165.09167	0.8
166.08652	38.7
167.07036	2.6
172.08928	0.3
177.10252	13.2
177.12790	0.9
181.12234	0.7
187.11230	1.0
205.10101	0.7
205.12303	1.8
223.06059	1.2
223.07924	0.5
223.10878	3.8
223.13330	2.1
223.15186	0.4
223.16998	0.5
225.04269	2.7
227.02263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0968
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
53.03947	1.6
55.01867	2.3
55.05501	2.0
56.39931	1.2
57.03161	2.6
57.03442	48.4
68.48457	1.1
68.99788	2.0
69.03410	2.4
69.07072	6.6
71.01364	11.4
71.16991	1.7
71.17337	1.5
73.06547	1.3
74.19170	1.2
79.05497	11.5
81.03426	1.7
81.07056	2.1
83.04986	4.4
90.29868	1.3
91.05496	10.2
93.03385	1.9
93.07045	5.2
95.04964	2.6
95.08565	1.3
97.02916	2.4
97.06549	6.6
97.52252	1.1
103.05460	3.2
105.07038	6.9
107.01350	1.2
107.04951	3.8
107.08588	4.2
111.04439	3.9
113.06010	1.4
114.60131	1.1
115.05470	2.8
116.06230	1.2
117.07014	3.1
119.04990	1.2
119.08607	1.6
121.02858	1.7
121.06522	2.4
123.04427	13.4
123.08112	2.0
125.02373	2.9
126.03137	2.0
127.03976	1.6
129.07002	2.4
131.04933	4.4
131.08578	22.8
133.02869	4.5
133.06516	45.6
133.07536	1.7
135.04417	1.8
135.08064	14.4
139.03917	70.0
141.06995	6.1
143.04871	1.3
143.87007	1.1
144.05730	6.1
145.06496	1.8
149.05965	3.2
149.09698	1.7
151.02753	1.7
151.03918	22.9
151.07530	5.3
153.01848	66.1
153.05450	4.7
159.04408	3.7
159.08078	41.1
159.09427	1.9
161.05991	14.3
163.03935	19.5
163.07555	2.9
163.11215	7.4
164.04700	2.1
167.03415	1.4
167.07045	7.4
176.04700	8.2
177.05565	9.3
177.09094	12.5
179.07065	17.5
187.07571	36.7
190.06252	2.4
205.08624	100.0
223.09679	59.2
223.13286	3.4
236.39063	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0967
Annotation	3,4-Dimethoxycinnamic acid methyl ester
Peak:m/z	Relative Intensity
55.01865	3.2
59.54257	0.9
70.63078	2.9
79.05498	5.0
80.22018	1.0
91.05495	6.8
93.07055	1.3
95.05563	0.9
98.70747	0.9
99.71824	0.9
102.04686	1.3
103.04811	2.2
103.05478	36.9
104.06277	2.1
105.07043	42.8
106.07280	1.0
107.04970	10.6
107.08606	1.9
115.05463	34.4
116.06236	1.8
117.07030	36.2
118.04177	3.5
119.04967	1.3
120.04468	0.9
120.05721	1.7
121.06517	1.8
127.05445	2.1
129.06952	1.3
130.04137	3.0
131.04939	61.8
132.05737	13.2
133.06508	48.4
135.08075	14.4
143.04930	1.8
143.06044	3.1
144.05701	5.4
145.06499	64.2
146.03636	17.2
147.04393	3.8
148.05193	2.9
149.02324	2.7
149.05969	1.6
155.06056	16.1
159.04425	12.3
160.05212	6.5
161.05998	100.0
162.06796	2.2
163.03915	4.2
163.07561	35.5
163.11192	1.1
167.07065	4.6
172.05186	2.3
173.05991	41.8
176.04695	1.3
177.05472	3.7
178.06264	88.0
179.06917	1.1
180.07819	2.4
180.10620	0.9
181.08582	2.0
190.06250	5.8
191.07043	39.8
192.07800	12.6
193.08626	80.0
195.10178	6.7
203.44096	1.2
205.08609	27.6
208.07263	1.8
211.09616	1.9
223.09653	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0966
Annotation	3,4-Dimethoxycinnamic acid methyl ester
Peak:m/z	Relative Intensity
54.81023	2.3
55.01859	4.8
69.07049	3.9
71.19592	4.3
73.98547	2.6
79.05490	11.7
81.07047	16.7
82.07376	3.6
88.28993	2.2
91.05472	8.2
93.07030	3.9
95.04939	2.7
103.05484	38.3
104.06254	3.5
105.07035	53.7
107.04963	13.6
107.08550	5.5
115.05460	36.2
117.07017	41.1
117.74624	2.4
118.04167	3.9
120.04470	25.2
121.10085	3.2
127.05435	3.0
131.04936	58.9
132.05693	12.8
133.06506	58.4
135.08051	16.0
143.06055	3.9
144.05724	7.6
145.06496	68.3
146.03642	17.1
147.04405	4.4
149.02356	12.8
154.64445	2.5
155.06032	18.5
159.04439	14.1
160.05208	6.3
161.05992	100.0
163.03923	3.3
163.07564	43.5
163.11189	2.7
167.07089	2.8
173.06001	42.8
177.05432	4.5
178.05081	3.7
178.06267	84.3
190.06255	4.6
191.07034	41.2
192.07895	13.4
193.08623	75.9
193.10338	5.7
195.10213	7.8
197.12924	3.1
205.08606	28.5
208.07338	2.8
223.09413	71.5
223.16840	3.8
233.32486	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
53.13204	1.2
55.01857	3.2
55.05526	11.4
57.07082	77.4
58.06580	2.0
60.04528	2.9
67.05512	37.1
68.06299	1.5
69.07059	5.2
70.01373	4.1
70.06599	2.7
72.04523	3.7
72.08177	8.3
74.09727	47.9
79.05501	44.6
80.04956	1.6
81.03452	3.1
81.07063	74.8
82.06554	1.8
83.05012	2.4
84.04477	2.6
91.05490	9.0
93.07053	26.9
95.04960	1.7
95.08599	5.6
96.04484	1.8
98.06050	6.5
98.97591	20.6
100.07614	1.9
105.07049	14.7
107.04990	7.6
107.08606	53.6
109.06528	2.2
110.06044	4.4
116.98635	13.9
119.08614	1.5
121.06516	2.7
121.10155	16.2
123.11714	27.5
127.47593	1.3
128.10715	2.8
131.08572	4.3
134.99672	6.2
138.05484	1.4
140.00183	5.5
149.06018	1.8
149.09630	26.3
154.12282	3.4
158.01266	8.2
166.12309	8.1
167.12924	1.6
181.02747	1.6
202.39211	1.4
204.06456	1.8
204.18169	1.8
222.15001	2.9
222.18542	100.0
222.21992	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	222.1855
Annotation	Spilanthol
Peak:m/z	Relative Intensity
53.03943	2.5
55.01867	4.4
55.05525	10.1
56.05017	1.5
56.57285	1.3
56.96567	1.3
57.07083	67.3
60.04527	1.5
63.08326	1.1
64.82173	1.0
67.05514	38.6
67.32732	1.1
68.06230	1.3
69.07083	6.9
70.06589	1.8
71.52409	2.4
72.04523	7.3
72.08167	6.2
74.09730	33.4
79.05503	47.9
81.07067	59.0
82.06582	2.5
83.05000	1.3
84.04514	2.3
88.01137	1.2
89.24515	1.3
91.05506	10.6
93.06496	1.4
93.07060	24.9
95.04960	2.4
95.08599	5.0
96.04505	1.9
98.06037	4.7
98.97598	20.7
100.07592	1.8
105.07051	15.4
107.04949	7.4
107.08609	65.2
110.06052	4.7
114.43822	1.1
116.98635	12.2
121.06487	2.8
121.10163	16.9
123.11720	17.3
128.10709	4.8
131.08589	5.1
134.99649	4.4
140.00200	3.7
149.09650	15.6
152.10765	1.6
158.01239	5.9
166.12263	4.8
168.13728	1.6
204.18298	1.8
219.25197	1.3
222.07848	1.3
222.18552	100.0
224.49583	1.4
236.57069	1.4
242.92241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1491
Annotation	(+-)-Carnegine
Peak:m/z	Relative Intensity
51.91382	0.3
55.05524	0.3
56.05036	0.3
57.03452	0.4
58.06601	5.4
66.60254	0.3
67.05513	0.4
70.06590	0.4
71.04976	0.3
71.48719	0.5
79.05500	0.9
81.07082	0.4
83.04965	0.5
84.08146	0.7
85.02916	1.0
86.09705	0.4
88.33471	0.3
89.08189	0.3
91.05486	2.7
93.07050	1.2
98.97593	0.7
105.07048	1.4
107.04959	0.7
107.08591	0.9
109.06549	0.3
109.52458	0.3
115.05433	0.5
117.07019	1.5
119.08595	1.3
121.06529	2.0
121.10162	0.4
129.07033	0.8
130.06511	0.8
131.08588	1.0
133.06488	1.0
134.07285	0.4
135.08061	1.7
137.06007	1.0
138.07829	0.3
144.05702	0.4
145.06522	2.3
146.06038	0.5
147.04425	1.2
147.07051	0.3
147.08052	1.6
148.08820	0.6
149.05983	1.8
149.09615	1.2
150.06761	1.2
151.07591	1.9
159.06474	0.4
159.08092	2.2
160.08855	12.7
161.05992	1.1
161.08391	1.8
161.09647	0.9
162.09132	0.8
163.07536	2.4
164.08347	7.0
164.74486	0.4
165.09142	8.2
174.10374	0.6
176.07076	0.6
176.08345	5.7
177.09132	0.8
178.08609	0.7
178.09930	4.8
179.10690	39.6
189.09125	0.3
190.12276	1.0
191.10695	21.8
193.12297	10.9
205.08846	0.4
205.12300	1.8
207.12585	0.6
221.54543	0.3
222.14909	100.0
223.09642	1.2
223.15265	0.6
233.48734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.149
Annotation	(+-)-Carnegine
Peak:m/z	Relative Intensity
55.05495	0.4
56.05034	0.5
58.06604	100.0
59.06944	0.5
67.05471	0.3
70.06593	1.0
70.97927	0.7
70.98268	0.3
72.08136	0.3
79.05502	0.4
84.04516	0.5
84.08154	0.6
91.05496	0.8
93.07033	0.4
94.06567	0.8
95.06910	0.8
98.97586	1.0
106.49059	0.4
116.07068	0.5
119.08610	0.5
120.08143	0.4
121.06514	0.8
123.04498	0.4
130.06535	3.9
131.06882	13.0
132.04457	4.7
133.04816	8.9
134.06021	0.5
136.07556	0.7
138.05536	0.4
141.05446	0.8
148.07649	0.4
149.05995	0.6
149.09625	0.4
157.07614	1.2
158.06058	4.1
158.07970	6.7
159.06375	23.9
160.06609	0.3
164.08339	2.2
165.09097	0.4
175.08673	3.8
176.09039	37.0
177.07510	0.7
177.09178	1.4
179.10687	8.7
187.05743	1.0
191.13109	1.0
198.96916	0.4
204.06517	0.5
204.08498	1.0
204.10300	0.5
205.06926	1.8
207.12550	1.1
222.09586	13.0
222.14899	93.3
223.15219	0.8
243.08688	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	222.149
Annotation	Lucidulinone
Peak:m/z	Relative Intensity
53.03919	0.4
54.65129	0.4
55.05498	1.3
56.05028	0.3
58.06593	0.4
67.05509	10.4
68.05027	2.4
69.07074	0.7
69.39810	2.0
69.40220	0.6
70.06599	4.9
72.08160	0.3
77.04603	0.4
79.05500	4.0
81.07059	2.6
82.06557	0.4
83.05000	0.4
88.03956	0.4
91.05488	4.5
93.07038	3.5
94.06558	0.7
95.04990	0.4
95.08614	0.6
98.06058	0.4
98.97591	0.9
100.07610	0.8
101.05978	0.5
104.63480	0.4
105.07025	3.3
106.06554	4.4
107.08601	4.7
108.08127	2.2
109.06514	1.1
109.10162	7.4
114.05528	4.1
116.07071	1.0
117.06983	0.8
119.06069	0.5
119.08572	0.9
120.08089	1.3
121.08873	1.2
122.09653	1.5
123.10452	0.4
124.81770	0.4
128.07085	0.5
131.08598	0.4
133.10147	1.8
134.09660	2.0
135.10475	0.4
135.11679	1.2
136.11189	0.7
146.09663	0.8
147.10448	0.7
148.11221	5.9
149.12027	0.9
149.13161	0.5
150.12767	1.0
152.07076	2.7
154.08681	0.5
159.11714	0.8
162.12785	5.4
164.06999	0.9
165.07896	0.7
166.08633	0.6
176.14351	8.3
178.08641	2.7
178.15952	0.6
179.09433	0.5
180.10220	0.9
192.10202	9.3
192.11940	0.5
193.11006	2.6
194.11803	1.2
194.15392	0.7
206.11742	2.1
207.12589	2.9
220.13359	1.6
222.14900	100.0
223.15300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02238	0.4
52.11736	0.4
52.67341	0.4
53.03947	1.4
55.05515	61.5
58.06601	2.0
58.99597	3.4
59.44493	0.5
61.22669	0.4
69.85488	2.2
70.06622	1.0
72.08156	0.6
76.02227	1.6
79.05501	0.5
81.07049	0.8
81.75121	0.5
83.08624	100.0
84.08160	0.8
84.42149	0.4
86.99055	5.2
91.05480	1.8
95.08633	0.7
98.97604	1.3
101.09664	17.3
102.75375	0.5
103.05511	1.0
103.29343	0.5
105.00099	7.2
105.07030	1.3
107.08575	0.7
116.07103	0.9
118.06536	0.8
119.04945	1.0
119.08624	0.6
120.08126	3.4
121.06495	0.8
122.02708	1.6
122.70524	0.5
129.10304	0.6
130.06537	25.0
131.04933	0.8
132.04463	4.4
133.10123	0.5
136.07634	0.7
147.04393	2.1
148.07594	8.7
149.05972	0.5
154.15491	0.4
158.06023	8.0
159.08284	1.1
160.08836	2.7
163.07541	0.9
164.08333	1.2
165.09135	3.4
176.07072	28.0
178.09906	0.9
179.10698	10.7
187.07925	0.6
191.10674	6.0
193.12196	2.5
205.08946	22.4
207.09061	0.5
222.07803	2.7
222.11522	6.0
222.14877	24.0
222.18419	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0763
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
58.06603	1.6
60.04520	0.4
64.20331	0.4
67.05513	1.1
69.07084	0.4
69.79015	2.0
70.06601	3.1
79.05486	0.7
81.03409	0.5
81.07071	0.9
84.04599	0.4
84.08153	1.1
85.02950	0.5
91.05477	1.4
92.05791	0.4
93.07059	0.8
95.04945	0.7
95.08621	0.4
98.97606	0.7
103.05462	1.2
105.07037	1.1
106.06601	0.9
109.06576	0.5
109.10179	0.6
114.05549	0.5
116.07107	1.4
118.06566	0.7
119.04930	0.8
119.07367	0.6
119.08593	1.1
120.08115	12.4
121.06527	1.0
121.10157	0.6
123.08095	0.6
127.07050	0.6
129.06967	0.4
130.06535	99.4
131.06943	0.5
132.04463	15.9
135.08070	0.5
137.05951	0.5
146.05983	0.9
147.04433	1.3
147.05663	0.5
147.08095	0.4
148.07582	29.2
149.06012	0.8
150.06491	0.5
151.07608	1.9
153.38315	0.4
158.06026	31.7
159.06281	0.5
159.08035	1.0
159.11562	0.4
160.08875	2.7
161.08363	0.7
161.09583	0.5
163.07544	1.0
164.08337	1.2
165.09096	2.5
174.10413	1.3
176.07080	100.0
177.07436	0.9
178.09862	1.1
179.10684	8.0
180.10136	2.8
187.11121	1.1
190.09904	0.6
191.10703	4.6
193.12306	2.0
204.06543	2.5
204.10304	0.7
205.12253	4.8
222.05458	0.4
222.07657	10.9
222.11427	4.8
222.14893	26.1
222.18425	1.0
223.02695	0.5
223.13390	0.5
236.10577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.81400	4.2
53.23724	4.3
54.48632	4.9
55.05498	16.6
56.96571	21.1
57.07066	12.2
58.06591	12.3
62.95761	3.8
67.05508	29.5
69.07062	18.4
71.52232	6.0
79.05486	14.4
81.07060	41.8
83.08612	12.2
85.06522	4.9
91.05472	18.3
93.07062	31.8
95.08607	55.4
97.06605	5.0
98.97586	8.2
102.04361	4.5
105.07050	68.3
107.08601	47.7
109.09466	7.5
109.10165	92.4
111.08049	7.6
116.98588	7.1
117.07023	4.9
119.08598	43.8
121.10145	26.4
123.08078	6.5
123.11734	34.8
133.10121	36.3
135.11708	15.3
137.06026	7.2
146.32092	4.3
147.08002	4.8
147.11697	64.0
149.13293	28.7
151.11169	6.6
161.13242	27.5
163.14865	6.7
166.02867	4.2
175.02744	8.1
175.07462	5.7
175.14803	6.7
176.07085	6.7
203.10449	4.8
203.17979	100.0
206.16185	5.9
221.09549	8.7
221.11658	15.5
221.15367	10.6
221.19034	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05513	11.6
57.07074	13.7
58.06601	6.9
67.05502	21.5
69.07074	26.7
71.52430	4.2
71.52776	4.2
79.05495	10.4
81.02291	3.3
81.07062	45.5
83.08620	12.5
91.05479	15.0
93.07052	32.1
95.08057	6.3
95.08617	59.3
97.10146	4.8
98.06062	5.5
98.97589	6.1
99.06396	5.7
99.08091	7.3
105.07047	47.6
107.08607	56.4
109.10170	33.7
111.08112	7.3
111.11703	10.8
115.05485	5.8
119.08596	49.0
121.10130	22.3
123.08058	5.6
123.11727	28.9
133.10141	34.5
135.11720	71.5
145.10110	8.0
147.11708	70.7
149.13338	3.8
161.09612	3.6
161.13281	24.6
163.14760	8.8
168.77046	4.1
175.08714	5.3
175.14789	6.0
176.07098	6.9
177.16382	5.9
203.10796	5.8
203.17992	100.0
204.67650	3.8
210.48529	3.6
221.09811	4.8
221.11559	6.0
221.13351	8.0
221.15410	7.7
221.19058	68.6
238.81088	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.83026	1.7
53.03946	2.0
55.01871	2.1
55.05515	10.3
55.05724	1.8
56.96556	4.7
57.07067	6.3
58.06593	5.3
59.04988	2.5
61.17822	1.9
66.42257	1.6
67.05504	12.0
69.07075	11.2
70.06541	1.9
71.04982	5.2
71.53755	1.9
73.06567	4.2
79.05483	8.1
81.07059	24.3
83.08589	4.6
84.08148	2.1
89.24808	1.9
91.05471	13.9
93.07046	25.0
95.04957	1.9
95.08611	30.4
97.06516	2.4
97.10152	6.8
98.97522	2.4
103.05442	2.2
105.07040	42.2
107.08606	28.4
109.10176	21.4
111.08061	4.1
112.17743	1.8
116.48322	1.9
117.07029	2.9
119.08587	32.4
121.10145	18.7
123.08099	3.3
123.09235	1.8
123.11712	10.2
125.09596	2.9
126.36187	2.0
129.07057	2.5
130.06433	1.8
133.10136	20.9
135.11700	18.2
137.05969	3.2
137.09584	4.0
139.11235	3.9
143.97664	1.8
145.10109	3.7
147.04283	2.3
147.11694	100.0
149.13275	26.4
149.90321	2.1
158.06003	3.4
161.05972	2.7
161.09583	6.0
161.13283	12.6
163.14799	7.3
165.09062	3.1
165.12769	4.2
175.08696	5.0
175.11224	4.5
175.14816	6.2
177.09099	7.4
177.16219	2.6
178.07704	2.1
190.05006	2.3
193.15787	2.1
203.10619	2.4
203.17978	45.0
206.16174	3.6
220.32559	1.8
221.11739	8.7
221.15379	6.8
221.19016	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	221.1903
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03935	0.9
53.51189	0.6
55.05268	0.8
55.05518	7.7
57.07074	2.6
65.03922	0.8
67.05513	5.9
69.07069	8.0
70.71239	1.6
71.05001	15.0
77.03905	1.1
78.71835	0.7
79.05050	0.5
79.05500	15.0
81.07067	62.6
83.04986	1.2
83.08627	3.1
85.06574	0.8
91.05499	8.6
93.07056	31.9
95.08621	17.9
97.06547	2.1
97.10163	1.6
99.08087	3.4
105.07037	20.3
107.08608	53.1
109.06523	1.7
109.10168	16.3
113.09669	0.8
117.07012	1.3
119.08594	35.1
121.10160	5.7
123.11725	14.7
127.11211	7.0
131.12274	0.7
133.10156	22.5
135.11708	100.0
137.09641	1.6
137.13307	1.3
145.10143	1.3
147.11703	14.5
147.12817	1.3
149.13304	4.5
151.11212	2.1
159.11636	1.1
160.12514	1.0
161.13301	9.2
163.14879	3.1
165.12769	1.7
166.94087	0.8
175.07597	6.4
175.14769	1.6
177.16431	1.2
203.17975	27.5
221.08191	1.3
221.19052	29.6
221.22112	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03941	2.1
55.05309	1.3
55.05514	13.0
57.03442	2.7
57.07063	4.6
58.06586	7.1
59.04999	2.4
67.05512	13.7
68.94227	1.4
69.03439	2.0
69.07069	15.1
69.10854	1.7
70.06581	1.7
71.04996	18.9
79.01737	1.6
79.05492	21.0
81.07057	88.9
82.57024	1.4
82.70260	1.8
83.04964	3.0
83.08615	7.0
84.08144	2.7
85.06532	1.6
91.05485	16.3
92.05826	1.7
93.07047	49.2
95.04939	5.3
95.08616	33.5
97.06519	3.7
97.10155	2.9
99.08076	6.1
103.05452	2.4
105.07032	37.9
107.04926	2.5
107.08600	64.4
109.06482	5.0
109.09469	2.7
109.10155	34.2
111.08096	3.4
113.09662	1.9
115.05457	4.0
116.31984	1.4
117.07025	4.9
119.04926	2.0
119.07721	3.0
119.08585	62.1
121.06481	2.4
121.10136	12.2
123.04438	2.0
123.08074	4.0
123.11697	20.3
125.09648	2.8
127.11181	10.7
129.07018	2.8
131.08580	3.0
133.06508	6.0
133.10136	30.3
135.08018	2.0
135.11696	100.0
137.05965	5.1
137.09625	3.0
137.13280	2.4
143.04958	2.6
143.08543	2.2
145.06502	2.3
145.10121	4.3
146.03625	2.4
147.08044	2.2
147.11696	26.6
149.02315	5.2
149.13306	7.9
151.03923	6.6
151.07571	2.7
151.11195	3.5
153.05510	1.7
153.09085	2.5
157.10030	1.9
157.76486	1.8
158.06015	2.1
159.07990	1.5
160.05188	1.7
161.06024	8.3
161.09616	3.6
161.13229	14.1
163.14793	5.6
165.05511	1.8
165.09074	2.5
165.12662	1.8
175.07492	7.9
175.11156	4.3
175.14818	4.3
176.07101	3.2
177.16275	1.5
186.07498	1.9
190.04642	1.7
191.09715	1.8
193.08560	3.2
200.29836	1.6
203.07048	4.3
203.10634	3.6
203.14421	2.5
203.17958	38.8
221.04333	2.7
221.08034	6.6
221.11699	6.4
221.15546	8.1
221.19017	39.3
221.22084	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03949	2.8
53.11744	1.7
55.01881	2.3
55.05523	9.8
56.96562	3.3
57.07066	6.9
59.05005	1.8
59.49874	1.5
67.05514	17.4
69.03419	2.8
69.07074	23.4
71.04993	4.8
71.52602	1.9
72.08153	1.9
79.05506	12.2
81.07069	36.7
83.04993	3.0
83.08614	10.4
85.06548	2.9
85.10188	2.4
91.05474	14.0
93.07050	23.8
95.04971	4.5
95.08621	53.6
97.06523	2.8
97.10172	8.3
98.97588	1.8
99.08109	3.3
105.07041	42.7
107.04927	1.7
107.08599	43.9
109.06521	4.3
109.10166	33.2
109.67030	1.9
111.08081	2.7
115.05460	3.7
117.07101	2.1
117.60789	1.7
119.04980	2.2
119.08578	31.6
121.06519	3.0
121.10149	23.5
123.08084	4.4
123.11723	9.6
125.09632	12.7
129.07021	2.1
131.04921	2.3
133.06511	4.0
133.10120	24.5
135.08066	2.5
135.11691	8.0
137.05936	4.0
137.09656	9.2
137.13324	3.1
139.11209	3.4
145.10126	5.0
147.08025	4.4
147.11703	36.9
149.13287	4.0
151.03915	3.4
151.11176	6.3
159.11784	3.2
161.06024	4.3
161.09662	4.9
161.13260	22.5
163.14864	11.5
165.09160	4.4
165.12773	10.6
172.08878	2.0
175.07504	3.0
175.11310	2.9
175.14838	18.7
177.16446	8.2
178.48543	1.7
179.10777	2.2
188.08575	1.9
191.10692	2.2
191.51820	1.7
201.25940	1.7
203.10695	2.5
203.14339	5.1
203.17972	100.0
206.16368	1.9
221.07953	4.3
221.11801	7.6
221.15428	17.0
221.19040	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03951	2.2
55.05508	7.9
57.07071	2.6
59.04992	0.7
65.03955	1.3
67.05505	7.6
69.07069	10.4
69.21708	5.3
69.22125	2.0
71.04996	17.5
73.06553	1.4
79.05494	14.8
81.07061	68.0
83.08614	4.2
85.06536	1.3
90.87319	0.9
91.05490	9.9
93.07049	38.3
95.04974	1.0
95.08612	22.5
97.06552	2.3
97.10178	2.5
99.08092	3.7
105.07041	26.2
107.08601	56.0
109.06551	1.5
109.10160	21.6
111.08092	1.3
111.11733	1.9
112.65228	0.8
113.09674	1.4
117.07027	1.1
119.08588	44.0
121.10154	8.0
123.08066	1.7
123.11709	13.2
127.11175	5.8
131.08525	1.1
133.10129	17.7
135.11700	100.0
137.09583	1.1
137.13252	1.9
141.12738	0.8
145.10109	1.2
147.11700	17.3
147.12823	1.4
149.13275	8.2
151.11211	2.4
160.12489	0.8
161.06000	1.5
161.13274	10.2
163.00702	0.7
163.14822	4.2
165.12758	2.3
175.07491	0.7
175.14807	2.6
177.16368	2.3
178.76837	0.8
203.17972	34.6
219.60046	0.7
221.09825	1.0
221.11749	1.0
221.19026	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1903
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03945	2.6
54.35896	1.2
55.05511	8.9
57.07072	4.1
58.06601	4.2
59.04995	1.9
65.03934	1.2
67.05505	8.3
68.04298	1.0
69.07072	10.9
69.97972	4.8
71.05005	17.0
72.08184	0.9
74.75715	0.9
79.05506	17.0
81.07067	75.4
83.04980	2.1
83.08630	4.9
84.08118	1.0
85.06552	2.2
91.05494	11.0
93.07056	38.3
95.04959	1.3
95.08616	24.4
97.06574	1.7
97.10213	1.4
99.08090	3.7
103.05489	1.0
105.04552	0.9
105.07043	29.6
107.04944	1.0
107.08608	60.8
109.06497	1.5
109.10169	21.7
111.08096	2.5
111.11753	1.8
113.09668	2.1
115.05518	1.8
117.07029	1.3
119.08595	43.8
121.06510	1.7
121.10139	8.7
123.08114	1.5
123.11703	14.9
125.09702	2.5
127.11216	8.4
129.07002	1.1
131.04977	1.2
131.08585	1.2
133.06509	3.1
133.10147	23.7
135.11710	100.0
137.06003	1.6
137.09622	1.3
137.13266	2.3
139.11127	0.9
145.10139	1.7
147.04414	1.0
147.08064	1.0
147.11708	22.1
149.13283	7.9
151.11215	2.2
151.14807	1.1
158.06064	1.0
159.11795	1.2
161.05984	5.2
161.09656	1.9
161.13261	12.0
163.14813	4.6
165.07034	1.2
165.12708	2.0
175.07520	2.3
175.11258	2.1
175.14874	2.9
176.07106	1.3
177.16333	2.3
187.42976	0.9
189.05499	1.3
189.09030	1.3
193.06563	0.9
193.08614	4.0
203.07001	1.3
203.14398	1.4
203.17982	37.0
206.16391	1.1
221.04375	1.7
221.08063	3.3
221.09627	4.0
221.11589	1.7
221.15408	3.6
221.19031	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1903
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.95928	0.7
53.69141	0.8
55.01861	0.9
55.05522	7.4
55.75883	0.8
56.96568	1.3
57.07088	6.8
57.09035	0.7
58.06605	1.9
58.25932	0.8
59.04996	2.1
67.05177	1.2
67.05511	13.1
69.07079	14.7
71.04998	3.0
79.05501	8.3
81.07068	36.1
83.04974	2.1
83.08653	4.7
85.06557	1.3
86.96143	0.7
91.05495	9.0
93.07054	20.4
95.04981	1.7
95.08622	48.0
97.06560	4.1
97.10184	3.4
98.97556	1.0
100.78979	0.9
105.07049	33.8
107.08616	36.1
109.06509	2.8
109.10175	38.1
111.08092	5.5
111.11729	1.6
116.98650	0.7
119.08598	28.5
121.10159	17.5
123.08087	1.5
123.11731	13.4
125.09642	1.9
133.10152	27.1
135.08096	0.9
135.11728	6.2
137.09669	1.5
137.13306	2.6
139.11223	1.5
145.10150	1.4
147.11710	34.1
149.13268	6.0
151.11195	2.5
158.06056	1.1
160.92383	0.8
161.05948	1.4
161.09668	0.9
161.13272	19.1
163.14841	7.3
165.12775	2.5
175.14861	8.8
176.07077	1.2
177.16440	2.1
178.05023	0.8
179.14221	0.8
203.17986	100.0
206.16299	1.1
221.09642	1.0
221.11514	1.5
221.13422	1.3
221.15651	1.6
221.19054	41.1
229.13025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.00603	0.9
53.03948	2.6
55.05514	9.6
57.07077	4.1
62.32016	1.1
64.07536	1.0
67.05509	11.2
67.08402	0.9
69.07073	9.3
70.49979	3.8
70.50323	1.1
71.04997	16.4
79.05500	19.8
81.07065	72.5
83.04987	2.8
83.08601	5.5
91.05479	11.4
93.07053	35.1
95.04966	2.7
95.08614	26.4
97.06534	2.6
97.10139	1.2
99.08100	6.1
105.07038	26.9
107.08607	62.2
109.06507	2.3
109.10167	26.3
111.08082	2.0
117.06985	2.1
118.06515	1.5
119.06110	1.3
119.06867	1.7
119.08594	48.0
121.06490	1.3
121.10162	11.2
123.08101	1.8
123.11729	17.0
125.09619	3.1
127.11195	8.6
129.07057	1.3
131.08562	1.5
132.95230	1.1
133.09137	1.4
133.10141	29.7
135.11708	100.0
137.09619	4.5
137.13266	2.6
139.11163	1.6
145.10126	3.8
147.08066	3.2
147.11703	21.7
149.06030	1.3
149.13252	5.4
151.11208	2.1
161.06021	2.3
161.09686	2.5
161.13286	11.4
163.09439	1.7
163.11258	1.4
163.14815	3.5
165.09149	1.3
175.07483	1.5
175.11208	1.6
175.14812	8.4
177.12833	1.2
177.14702	7.2
177.16208	1.7
179.14333	1.8
185.13297	1.6
193.15944	1.1
199.45752	1.2
203.14343	2.7
203.17972	35.2
221.11826	2.7
221.15392	6.0
221.17294	29.6
221.19069	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.48634	2.0
55.05507	9.7
56.96570	4.2
57.07066	10.4
57.87400	2.4
58.06597	7.3
59.04988	3.5
65.30177	2.4
67.05501	17.7
68.70702	2.0
69.03451	2.3
69.07076	39.2
69.18674	2.1
71.04050	3.9
71.05000	14.6
79.05505	12.8
81.07069	59.9
83.05000	2.8
83.08628	9.7
85.06551	3.4
86.55855	2.3
91.05482	12.7
93.07057	34.8
95.04953	4.4
95.08613	54.5
95.09180	4.7
97.06526	2.5
97.10185	5.0
98.97605	4.1
105.06391	3.8
105.07050	45.5
107.08611	71.7
107.28224	2.4
109.10178	33.1
111.08115	7.0
111.11732	28.1
113.09653	2.2
115.05479	2.4
116.98651	3.8
117.07086	2.6
119.08597	42.0
119.84807	2.3
121.06506	4.9
121.10146	24.1
123.08140	3.4
123.11726	14.5
125.09589	3.2
127.05766	2.2
127.11249	2.4
133.10158	32.2
135.08061	3.8
135.11717	22.3
137.09663	3.3
145.10181	2.1
147.04346	4.1
147.11714	52.2
149.13330	4.0
151.11206	3.6
151.14824	2.9
161.09734	3.8
161.13289	27.6
163.14841	28.0
165.12805	5.0
175.14864	11.7
176.07129	5.0
177.16435	7.5
201.11859	2.2
203.10735	5.4
203.17986	100.0
206.16347	3.3
221.04558	3.6
221.09616	4.7
221.11763	13.8
221.15457	5.7
221.19034	81.9
243.57784	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.97787	2.2
53.36263	2.1
53.91861	2.8
55.05516	16.5
55.17859	2.5
57.07079	12.2
58.06600	5.1
59.04993	4.3
63.15747	2.3
63.57608	2.6
67.05512	24.8
69.07074	32.0
71.04984	6.1
71.53669	2.6
79.05502	12.8
81.07063	67.0
83.08631	12.6
91.05495	14.0
91.46535	2.3
93.07053	31.5
95.04990	2.4
95.08613	98.9
97.06528	16.0
97.10165	9.7
98.97607	2.9
105.07034	34.9
107.08599	51.3
109.10164	58.5
111.08072	11.4
111.11734	4.3
117.07049	3.1
119.08590	36.8
121.09441	3.2
121.10162	30.8
123.11715	26.5
125.09641	5.1
128.06229	5.7
131.08597	3.0
133.10133	29.8
135.11682	15.6
137.05978	2.7
137.13255	10.1
139.11209	3.9
143.08591	5.5
145.06512	2.5
147.11693	44.2
149.13286	12.3
151.07568	6.2
151.11148	6.8
161.13264	21.8
163.14841	41.5
165.12781	5.1
166.21730	2.7
171.08052	4.9
175.07593	7.3
175.08878	3.0
175.14833	15.6
176.07138	3.8
177.09079	3.4
177.16405	20.2
185.03532	2.9
189.09291	2.7
193.19548	8.2
203.10690	16.2
203.17966	94.6
221.09659	3.3
221.11754	9.3
221.15469	3.8
221.19022	100.0
238.39755	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05512	4.8
57.07065	3.6
58.06595	3.4
59.05005	1.4
67.05509	9.2
69.06728	1.4
69.07075	16.7
69.18321	0.7
69.73084	2.8
69.73500	1.3
70.06577	0.9
70.07420	5.0
71.04994	12.4
71.08618	0.9
72.68407	0.7
79.05488	7.7
81.07066	18.3
83.04996	0.9
83.08616	3.4
85.06543	2.1
91.05452	5.4
93.07053	16.2
95.08618	42.3
97.10185	1.3
105.07037	20.6
107.04941	1.2
107.08603	36.4
109.06519	1.7
109.10170	19.3
111.08121	1.4
116.98645	1.2
119.07797	1.4
119.08594	15.6
121.06532	1.9
121.10162	14.1
122.06853	1.9
123.08158	1.0
123.11726	6.1
125.09628	2.2
131.04840	0.9
131.08586	1.6
133.06499	1.3
133.10153	14.8
135.11710	5.5
137.05988	1.3
137.13286	1.6
143.08588	1.2
147.11699	32.7
149.13268	2.0
151.14847	1.0
152.07117	1.1
153.07399	1.7
158.05984	1.1
159.11578	1.1
161.09618	1.2
161.13266	11.1
163.14842	14.6
164.07056	2.0
165.07408	2.9
165.12769	1.8
175.07513	1.2
175.14824	6.4
176.07080	1.9
177.16412	6.6
203.10728	1.7
203.17969	100.0
221.06093	1.1
221.07880	1.8
221.09770	1.6
221.11554	1.8
221.13313	1.5
221.15472	1.9
221.19023	37.8
224.64230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
53.03946	2.5
55.01854	1.2
55.05516	14.9
56.96570	1.2
57.07066	4.6
58.06595	2.7
58.58578	1.1
59.05014	1.2
67.05505	12.5
69.07072	94.4
70.07405	1.6
70.64998	3.0
71.04978	3.8
79.05493	17.0
79.99177	1.0
80.05833	1.0
81.07061	98.7
83.04972	2.1
83.08636	5.8
85.06542	2.1
91.05478	10.4
93.06482	2.3
93.07048	32.3
95.04977	2.2
95.08610	38.5
97.06557	2.7
97.10201	2.7
98.97572	2.0
102.64287	1.1
105.07034	18.3
107.08605	21.1
109.06544	1.5
109.10165	30.4
111.08100	6.3
111.11727	100.0
119.05000	1.4
119.08586	21.1
121.10139	13.1
122.10471	1.5
123.11695	14.9
125.09608	1.5
127.11168	5.1
133.06473	1.1
133.10141	12.5
135.06812	1.5
135.08052	1.1
135.11691	13.1
136.07138	4.1
137.09628	2.7
137.13260	2.1
139.11195	7.0
147.11700	17.1
148.71765	1.2
149.13271	4.0
151.11156	1.4
152.07121	2.5
153.07408	3.5
161.13269	7.4
163.14853	4.1
165.05492	1.2
165.09045	1.4
165.12720	1.5
172.08800	1.7
175.11060	1.0
175.14830	5.0
177.09094	1.3
177.16402	2.7
188.08327	2.0
203.10657	6.0
203.17973	39.0
206.16141	2.0
221.04474	1.4
221.09567	2.2
221.11607	1.9
221.15485	2.6
221.19029	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1175
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03936	4.3
55.01864	6.4
55.05515	10.9
57.03425	2.2
57.07071	7.0
59.04992	4.5
65.03933	3.0
66.71815	1.5
67.05511	25.2
69.03086	2.2
69.03439	28.3
69.07074	8.8
69.15997	17.3
71.04990	5.5
72.08160	3.2
73.31164	1.6
79.05499	20.3
81.03417	5.4
81.07063	32.6
83.04990	52.2
83.08621	4.6
85.02889	4.5
85.06544	6.9
89.94259	1.7
91.05486	30.1
93.07054	33.7
95.01339	27.2
95.04975	36.6
95.08621	11.4
97.02901	5.0
97.06548	4.2
98.97598	2.0
99.04427	2.5
105.07040	42.2
107.04965	11.0
107.08607	23.0
109.06535	38.6
109.10157	8.2
111.04433	9.6
111.08089	9.4
113.06018	29.4
115.05443	3.7
117.07025	7.9
118.45208	1.5
119.04947	12.9
119.08598	35.7
121.06500	22.4
121.10152	5.9
123.04424	4.9
123.08080	34.3
123.11705	4.8
125.05967	3.6
128.06244	3.5
129.06998	4.9
131.04936	2.3
131.08580	7.2
133.06503	16.7
133.10143	64.7
135.04439	2.3
135.08080	13.7
135.11699	6.6
136.08839	8.0
137.05977	31.5
137.06960	2.8
137.09619	12.5
138.10423	10.3
142.07805	9.7
143.08549	5.0
144.09349	4.6
145.06493	4.3
145.10115	3.4
146.07275	4.6
147.04414	10.9
147.08067	6.5
147.11703	36.2
149.05998	7.1
149.09584	1.9
149.13251	3.5
151.07512	4.9
151.11145	2.5
153.09096	4.5
155.17078	1.6
157.06470	1.7
157.10141	27.1
159.08049	5.4
159.11682	7.4
160.08871	11.0
161.06024	14.5
161.09639	72.2
161.13242	1.8
163.07599	3.2
164.69438	1.6
165.05496	18.9
165.06778	2.9
165.09059	1.9
170.07367	2.3
174.06898	2.7
175.07571	5.8
175.11206	88.0
177.12755	5.5
177.81989	1.8
179.07071	2.0
179.10719	18.2
185.09636	5.3
188.08267	9.4
193.12265	7.3
197.53502	1.7
203.07574	2.3
203.10687	63.0
221.06146	3.5
221.08223	3.9
221.11739	100.0
221.15356	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	221.1175
Annotation	Flossonol
Peak:m/z	Relative Intensity
51.00562	1.6
55.05512	3.7
57.07070	4.6
67.05488	3.4
69.03438	2.0
69.07082	3.0
70.77373	3.9
72.08158	2.0
73.06569	2.0
79.05489	3.5
81.07061	8.3
83.04999	2.0
91.05486	9.0
93.07045	4.2
95.08601	6.4
98.97608	2.3
103.05494	9.6
105.07044	9.4
105.36983	1.7
107.08612	5.9
107.47456	2.0
109.10152	3.9
111.08158	1.8
115.05466	8.0
117.07040	6.6
119.08605	6.1
121.06518	3.2
121.10139	6.5
123.04454	3.7
123.08057	2.0
123.11681	2.1
128.06241	5.7
131.04942	36.5
133.06500	5.5
133.10191	4.0
135.11708	2.4
137.06059	2.7
143.04893	3.0
143.08606	9.3
144.05728	2.8
145.06509	8.7
145.10085	9.1
147.04437	2.4
147.08057	2.2
147.11714	3.5
149.06007	90.4
157.06577	2.6
157.73553	1.9
158.07236	2.2
159.08145	1.9
160.03964	2.3
160.05235	35.3
161.06007	60.6
161.09602	3.0
161.13339	1.9
163.11169	2.4
165.09189	3.3
171.08058	6.5
172.08876	3.5
173.06007	2.1
173.09698	13.6
173.91177	2.2
175.14810	2.5
177.09123	3.7
179.14319	2.0
188.08366	3.3
188.57143	1.8
189.09135	57.2
191.10698	100.0
203.10658	14.3
203.17899	2.5
206.10989	2.2
208.90489	1.7
212.21890	2.1
221.09656	3.5
221.11465	9.6
221.15236	10.0
221.19054	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1174
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
55.01853	1.2
55.05510	0.9
57.03419	1.6
57.07081	1.2
58.24569	0.9
66.67221	0.8
67.05505	2.3
70.83077	2.4
71.58750	1.0
72.08198	1.1
73.06559	1.4
77.69859	0.8
78.70313	0.7
79.05496	1.4
81.07070	5.1
82.27524	0.7
91.05493	6.8
93.07047	1.7
95.08620	3.0
103.05474	13.2
105.07056	6.9
107.08609	2.3
109.10181	1.9
110.07135	0.8
115.05467	8.0
117.07021	4.6
119.08614	3.5
121.06525	1.0
121.10158	1.6
123.03681	0.7
123.04419	4.7
123.08066	1.0
123.11765	0.9
128.06245	4.1
131.04944	38.1
132.05713	1.2
133.06508	5.9
133.10149	2.4
135.08101	1.0
135.11726	1.0
140.85356	0.8
143.04953	1.7
143.08577	6.0
144.05745	1.7
145.06494	7.2
145.10138	8.9
147.04424	3.0
147.11685	2.6
148.05167	1.0
149.06001	93.2
155.06064	0.9
155.08493	0.9
158.07288	1.8
160.05219	45.1
161.06003	69.9
161.09639	2.0
161.13200	1.5
162.06750	1.3
163.07626	0.9
171.08086	3.9
173.09666	17.6
174.06732	1.3
178.07858	1.4
189.09131	59.6
191.10695	100.0
192.11029	1.5
193.10185	2.1
203.10727	1.2
203.17992	2.7
212.21936	1.4
221.09612	2.5
221.11772	5.6
221.15363	2.8
221.18994	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
51.18684	0.6
56.16930	0.5
58.06608	3.2
61.87132	0.5
71.12998	1.3
72.29195	0.5
78.17503	0.6
82.02941	1.9
91.05486	0.6
94.06572	3.6
98.28911	0.5
102.84663	0.5
105.07035	0.7
115.05482	0.5
116.60225	0.5
120.08117	0.7
128.00668	0.5
130.06541	40.8
132.04469	36.2
132.05249	0.4
141.34100	0.5
148.07578	1.2
152.18666	0.5
157.07625	20.3
158.06030	65.6
161.07921	1.4
162.08185	1.7
175.08687	100.0
176.07091	2.7
176.09097	0.5
186.05493	1.3
203.08221	1.9
204.06604	4.7
221.09238	35.6
222.09703	0.6
222.14955	0.7
225.14496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01876	6.6
55.05494	3.5
57.07080	72.6
67.05485	1.6
69.03444	1.4
70.83447	3.0
72.04522	10.8
72.08153	2.4
74.09712	6.9
79.05078	1.8
79.05499	33.1
81.06596	1.7
81.07062	29.9
84.04499	4.9
86.06073	2.1
91.05487	79.3
93.07050	42.5
95.04979	1.6
95.08630	1.2
96.04499	6.0
98.06067	2.5
100.07568	3.0
103.05495	1.2
104.06248	1.3
105.07031	14.5
107.04958	16.3
107.08575	3.9
115.05336	1.2
117.07034	10.1
119.04908	1.2
119.08590	73.1
121.10154	34.2
126.09159	1.7
128.06230	1.8
128.10690	6.9
129.06958	5.0
131.08607	1.2
132.05711	9.3
133.10150	2.0
139.09897	3.3
140.10716	2.1
142.12305	2.1
144.98505	1.2
145.06451	2.3
147.08060	100.0
152.10713	2.2
164.10719	2.2
209.27948	1.1
220.14867	2.4
220.16969	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0811
Annotation	CHEBI:69693
Peak:m/z	Relative Intensity
55.01871	1.7
55.05508	2.0
57.07072	1.8
58.06606	1.9
67.05494	2.3
69.07094	2.2
71.52852	1.2
74.01230	0.9
79.05495	3.2
81.02291	0.9
81.03434	2.1
81.07082	5.3
83.04985	1.4
91.05499	6.3
91.46308	0.9
93.07061	3.0
95.04936	1.0
95.08625	4.9
98.97586	1.4
103.05500	2.3
105.03472	1.5
105.07033	7.4
107.08603	4.0
109.10162	4.3
115.05476	14.1
117.07023	2.8
119.05061	0.8
119.08584	3.2
121.10114	2.3
123.04457	20.7
123.11687	1.3
128.06226	4.7
129.07030	14.5
131.04980	1.8
131.08591	1.5
133.06505	5.3
133.10127	2.4
137.02364	2.9
137.05972	4.3
139.05594	1.0
143.04950	11.2
143.08594	1.0
145.06483	6.4
147.04417	3.2
147.08044	1.3
147.11668	2.5
149.05984	1.0
151.07520	1.8
155.04898	1.2
157.06509	9.8
159.08122	1.5
160.05171	1.9
161.06004	100.0
161.13324	1.0
161.18626	1.0
163.07495	1.2
165.05582	1.3
165.07019	1.9
173.06004	40.3
174.06807	4.5
175.07523	9.4
175.08723	1.1
175.11090	1.0
175.14818	1.3
176.07158	1.7
178.07866	1.3
184.81813	1.0
185.05992	4.1
188.08388	2.2
191.07043	2.6
197.06052	1.1
203.07048	8.1
203.10718	5.5
203.17966	3.1
206.16229	1.8
221.05946	1.7
221.08052	6.2
221.09683	3.7
221.11717	2.9
221.15366	2.6
221.18910	4.0
225.05542	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	220.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.9
55.05500	0.8
57.07081	1.4
58.02961	1.7
58.06594	2.4
59.06929	0.8
67.05505	2.3
69.07076	100.0
70.63312	1.7
72.08156	2.2
79.05492	2.8
81.07069	2.1
84.08169	1.0
88.90703	0.8
91.05476	3.4
93.07035	1.8
95.05005	1.8
95.08631	0.9
105.07055	1.5
106.06607	1.1
107.04944	3.0
107.08573	1.7
110.42478	0.7
118.06551	1.4
119.04913	0.9
119.08590	1.5
120.05699	1.6
121.06516	17.7
121.10090	1.0
132.04460	0.8
134.06020	1.0
135.06827	5.9
137.06039	1.8
145.06482	3.1
145.10126	1.1
146.05888	2.0
146.06866	2.2
147.06795	3.1
147.07965	1.5
147.11699	0.9
151.07674	0.8
152.07077	18.8
159.08006	1.3
160.08557	0.9
164.07083	29.7
164.10695	1.5
174.06467	1.8
175.07486	3.4
175.11108	1.5
188.08490	1.3
189.08687	11.6
190.05823	3.0
190.09477	2.7
192.06593	1.0
204.14651	3.3
205.08170	3.9
205.15898	9.1
220.10512	8.1
220.13162	3.7
220.17880	14.0
220.20522	1.6
238.34811	0.8
239.18738	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1697
Annotation	Fabianine
Peak:m/z	Relative Intensity
54.92428	0.1
56.23160	0.1
58.45015	0.1
69.62663	0.8
72.08161	0.1
78.47449	0.1
81.07079	0.2
105.07042	0.2
118.06551	7.6
119.07346	0.4
120.08122	0.2
123.78971	0.1
132.08099	2.5
132.09023	0.2
133.08896	1.1
134.09673	0.7
138.05527	0.2
144.08040	0.1
146.09644	2.2
147.10414	0.2
149.88777	0.1
160.11235	0.4
160.24474	0.1
162.09148	4.5
164.10707	0.1
176.10803	3.3
176.14357	25.0
177.11481	1.3
177.14830	0.2
190.09509	0.2
190.12254	2.5
191.13055	0.2
202.15906	0.8
204.13799	0.2
205.15919	0.3
220.16972	100.0
221.17348	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	0.9
58.02962	0.9
58.06605	9.7
59.06930	2.0
63.07949	0.7
63.56541	0.7
67.05508	1.5
69.07072	100.0
70.43362	2.5
78.07822	0.8
79.05507	1.7
81.07052	1.8
81.13863	0.9
82.07355	0.9
86.67986	0.7
91.05489	3.7
93.07069	0.8
95.04962	1.2
96.89841	0.8
105.06987	1.1
106.06584	1.0
107.04939	2.7
108.29308	0.8
118.06517	3.6
119.04912	2.1
119.07342	1.0
120.05714	2.2
121.06504	16.9
133.10136	1.0
134.06009	1.3
135.06819	6.1
137.05968	3.3
146.06010	5.1
147.06839	4.8
147.07851	1.1
152.07077	20.3
161.07953	1.6
164.07077	41.9
164.10742	1.1
175.11195	3.7
177.07330	1.3
192.06627	1.1
204.14677	2.2
205.15900	9.3
220.05873	1.1
220.07654	2.3
220.09700	1.2
220.11635	2.6
220.13437	2.1
220.17804	12.3
220.20421	1.7
238.26248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1746
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
51.63302	1.4
53.03942	2.7
55.01870	2.4
55.05512	15.6
57.07082	3.3
58.06593	4.5
59.05006	3.1
62.15567	1.4
65.03943	1.3
67.05189	1.8
67.05515	24.4
69.03435	2.9
69.07078	18.3
69.40991	3.7
69.41412	7.6
69.83431	1.4
71.05006	7.7
72.08157	2.4
79.05505	21.9
81.07069	64.9
82.66864	1.3
83.04993	11.8
83.08610	3.8
85.06528	1.7
91.05496	21.4
91.19633	1.3
93.06488	2.1
93.07057	32.8
93.69592	1.4
95.04986	6.9
95.08618	36.0
97.06577	10.2
97.10185	2.1
99.08054	1.6
103.05497	2.6
105.07047	43.5
107.04948	2.3
107.08604	34.6
109.06519	7.2
109.10168	34.2
111.04425	1.6
111.08074	4.3
115.05477	3.5
117.07039	8.0
119.08599	29.8
121.06558	4.0
121.10162	28.0
123.04439	1.5
123.08060	5.9
123.11727	9.6
125.09633	6.3
128.06242	3.0
129.07011	15.4
130.07788	2.6
131.04926	4.1
131.08583	24.4
133.10146	30.9
135.08086	3.3
135.11710	17.3
137.09647	7.9
141.07018	10.0
143.08600	3.1
144.05731	2.0
144.09346	3.4
145.06493	1.8
145.10144	35.6
147.11702	15.3
149.09596	5.2
149.13297	5.1
151.03920	3.4
151.07535	2.2
151.11197	3.2
157.06540	7.4
157.10150	1.9
158.07312	7.5
159.08084	10.3
159.10475	2.0
159.11717	28.6
160.05266	1.7
161.09645	1.6
161.13263	20.5
163.07565	2.1
163.11214	14.1
169.06474	4.5
170.07291	2.3
173.06035	1.6
173.09631	5.2
173.13307	9.8
174.06783	23.8
175.07489	4.4
175.11166	2.2
175.14838	6.6
177.12799	3.8
177.16458	2.9
186.06821	3.9
187.07599	2.7
188.08379	1.6
189.09143	36.5
191.06944	2.1
191.10712	2.6
191.14424	1.6
191.17964	5.9
191.77939	1.4
201.09135	16.8
201.12837	1.5
201.16402	42.6
203.14325	6.0
219.06601	2.8
219.10159	40.5
219.13893	5.1
219.17464	100.0
220.17104	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	219.1747
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
53.03938	1.7
55.01866	1.5
55.05310	1.0
55.05515	10.5
55.65836	0.9
57.03442	1.5
57.07078	2.0
58.06579	1.9
59.04999	2.6
65.03954	1.2
67.05509	19.2
69.03427	3.0
69.07076	14.8
71.05008	7.5
71.08588	1.1
72.08146	2.6
79.05498	16.3
81.03400	1.4
81.07066	66.0
83.04982	6.8
83.08617	4.4
85.06525	2.1
90.19165	0.9
91.05487	15.3
93.07053	40.2
95.04983	5.8
95.08617	48.4
97.06537	23.0
97.10202	1.6
103.05492	1.8
105.07041	39.0
107.04937	1.1
107.07870	2.1
107.08604	36.0
109.06519	3.6
109.09473	1.9
109.10165	25.1
110.46896	1.0
111.08086	3.5
111.11687	1.6
115.05452	1.5
117.07034	7.5
119.08592	30.1
121.06497	1.7
121.10154	22.9
123.04439	1.5
123.08090	8.1
123.11714	14.9
125.09653	5.9
128.06326	1.2
129.07010	4.5
130.07814	2.2
131.04930	2.2
131.08582	19.4
133.06500	1.1
133.10152	18.4
135.08060	2.2
135.11708	17.0
137.09608	3.0
137.13324	1.4
138.42348	1.1
139.11113	1.4
141.06990	1.5
143.08569	1.1
144.09328	1.4
145.06494	1.3
145.10141	34.5
147.11652	6.1
149.09615	3.6
149.13252	6.6
151.03918	3.3
151.11203	2.4
157.06488	2.3
157.10086	2.4
158.07314	1.8
158.40350	1.2
159.08081	3.0
159.11702	24.8
161.09663	1.3
161.13272	26.7
163.07555	1.5
163.11211	4.5
163.14828	1.9
169.06567	1.5
171.11752	1.4
173.09595	3.3
173.13286	14.6
174.06781	6.8
175.07491	1.3
175.11351	1.2
175.14879	8.0
176.14296	1.3
177.12819	1.9
187.11159	1.3
189.05525	1.8
189.09146	10.6
191.08665	1.1
191.10657	1.4
191.17963	6.6
201.09116	4.1
201.12758	2.9
201.16406	49.1
203.14412	5.7
219.08253	2.0
219.10144	8.0
219.13872	5.4
219.17456	100.0
220.17084	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	219.1746
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
51.02767	1.2
52.04412	1.3
53.03941	3.1
55.01867	3.0
55.05296	1.3
55.05513	12.5
57.03428	1.6
57.07068	3.7
58.06606	1.7
59.04983	3.0
67.05512	24.9
69.03431	7.5
69.07072	20.6
70.56448	1.6
70.64890	3.1
71.05003	11.0
72.08145	3.0
79.05070	1.9
79.05495	26.5
81.07065	75.8
83.04987	7.1
83.08614	5.8
85.06528	3.0
90.45380	1.4
91.04977	2.0
91.05493	26.0
93.07056	48.9
95.04961	8.0
95.08617	41.1
97.06535	19.2
97.10178	4.0
97.28464	1.3
98.97591	2.1
103.05464	2.3
104.37086	1.3
105.07042	42.1
107.04922	2.0
107.08604	38.9
109.06561	8.5
109.10166	36.8
111.04458	1.6
111.08100	5.0
115.05458	5.7
116.06235	2.3
117.07033	8.4
119.08595	35.3
121.06480	3.8
121.10155	34.3
123.04448	1.5
123.08064	8.9
123.11735	13.0
125.09619	4.3
128.06230	7.6
129.07024	24.1
130.07816	2.6
131.04919	6.9
131.08580	39.8
133.10143	21.9
135.08040	5.0
135.11696	21.3
137.06041	2.1
137.09654	6.5
138.10423	3.5
141.06998	14.2
142.07878	1.3
143.04871	1.4
143.08571	3.6
144.05716	3.9
144.09346	1.8
145.06502	4.7
145.10132	31.7
146.07291	2.2
147.08058	2.5
147.11711	19.2
149.09599	4.4
149.13237	5.5
151.03943	3.1
151.07561	2.3
151.11197	4.6
155.08510	1.6
157.06497	15.1
157.07625	2.0
157.10117	2.4
158.07301	11.5
159.04478	2.5
159.08070	19.9
159.11697	33.1
160.05280	2.4
161.09615	2.2
161.13260	22.0
162.09045	2.2
163.07623	2.9
163.11188	18.4
169.06494	5.2
170.07225	3.5
171.11685	1.7
173.05934	2.3
173.09610	12.6
173.13269	10.1
174.06779	37.7
175.07507	10.0
175.11209	3.2
175.14853	6.7
176.14357	5.0
177.09120	5.9
177.12764	5.9
177.16348	1.9
182.15417	1.5
186.06816	8.6
187.07530	3.4
188.08321	3.0
189.09120	59.7
190.07796	1.8
191.08582	2.9
191.10663	6.7
191.17967	5.8
199.08174	1.9
201.09131	21.8
201.12743	4.8
201.14578	2.6
201.16412	40.0
203.14304	10.4
219.08078	7.3
219.10143	57.4
219.14104	11.2
219.17451	100.0
220.16982	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1746
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
50.78528	1.0
53.03946	2.5
55.05516	8.1
57.07066	1.7
58.06606	31.4
58.07402	1.2
58.54549	1.0
60.08167	1.8
67.05512	7.7
69.07056	4.6
69.79321	5.9
70.06597	1.0
71.04999	12.0
73.06556	1.4
79.05502	14.3
81.03420	3.5
81.07068	22.9
83.04970	2.3
83.08623	1.3
85.06525	1.3
88.07654	1.9
91.05484	26.7
93.07053	16.6
95.04959	1.1
95.08615	13.9
97.06527	4.3
97.10128	1.2
97.77918	1.2
98.20786	1.1
99.08076	1.6
103.05471	2.5
105.07041	63.4
106.08655	1.3
107.08601	13.6
109.06509	2.6
109.10175	8.1
115.05475	4.2
116.06226	1.9
117.07021	6.0
118.07826	1.5
119.08584	14.2
119.23351	1.1
121.06519	2.2
121.10143	9.5
123.11724	1.7
125.09646	16.5
128.06245	3.0
129.07014	10.8
130.07782	1.2
131.04887	2.3
131.08578	25.1
133.10144	100.0
135.08113	1.2
135.11699	4.7
137.09634	1.4
141.06999	8.4
143.08530	1.8
144.05690	5.3
145.06512	2.5
145.10149	15.4
146.06010	1.7
147.11705	8.8
149.13307	1.3
151.07524	2.1
157.06500	4.8
157.07675	1.1
158.07318	7.3
158.10928	1.3
159.04494	1.6
159.08086	10.7
159.11705	15.7
160.07608	10.8
161.09650	1.5
161.13257	7.5
163.07516	1.5
163.11093	1.4
169.06464	2.2
170.07326	2.5
173.09584	1.2
173.13300	2.9
173.96268	1.0
174.05458	1.4
174.06767	18.7
175.07491	1.6
175.14825	3.2
176.07082	6.3
177.12798	1.4
186.06776	3.2
187.07542	2.5
189.09114	27.1
191.06982	1.3
191.10713	2.2
191.17981	1.7
197.65828	1.0
201.09137	10.2
201.16400	12.7
201.20552	1.9
203.14384	6.2
219.06493	1.1
219.08121	1.6
219.09969	24.4
219.13405	2.1
219.17459	47.5
219.21483	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
50.79181	0.9
53.03918	1.4
54.18179	1.1
55.01855	1.0
55.05513	7.1
57.07059	1.2
58.06593	2.6
65.03956	0.9
67.05507	6.2
68.79764	1.1
69.03423	1.3
69.07071	4.8
70.86179	1.9
71.05007	20.1
72.08163	5.5
72.67945	1.1
76.48729	0.9
79.05505	7.6
81.07063	16.6
83.04980	2.4
83.08621	1.4
85.06550	2.1
89.65128	0.9
91.05491	35.4
93.07055	23.0
95.04973	2.4
95.08609	14.6
97.06523	3.7
98.97578	4.3
99.08057	1.1
103.05488	1.3
105.07045	67.0
107.08603	14.0
109.06511	2.5
109.10178	9.2
111.04549	1.1
113.09631	1.5
115.05468	1.1
115.42805	1.0
117.07041	8.2
119.07812	1.6
119.08595	24.3
121.06514	1.7
121.10149	10.5
123.08056	1.5
123.11696	1.9
125.09643	10.8
127.11226	1.4
128.06204	1.3
129.07047	5.7
130.07758	1.4
131.04974	1.5
131.08585	19.8
133.10141	100.0
135.08037	1.3
135.11723	6.3
137.09535	1.3
139.11244	1.2
141.06979	1.6
143.08585	1.8
145.06458	1.7
145.10138	18.4
147.08054	2.0
147.11731	8.5
149.09656	1.6
149.13240	1.8
155.08525	1.0
157.06454	2.7
157.10176	1.1
158.07248	2.0
158.99786	1.0
159.08034	4.1
159.11710	17.9
161.09637	1.9
161.13255	9.3
163.11183	4.4
169.06514	1.5
173.06036	1.3
173.09703	4.8
173.13303	11.5
174.06775	4.9
175.07489	1.5
175.14795	2.5
177.12787	1.6
177.16396	1.6
186.06718	1.2
189.09087	8.7
191.10654	2.2
191.14290	3.6
191.17941	1.8
201.09100	1.8
201.12807	1.4
201.16394	21.4
203.14317	4.7
219.02977	1.3
219.08209	2.1
219.09924	5.3
219.13860	4.1
219.17451	70.1
220.17944	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1494
Annotation	N-Ethylcytisine
Peak:m/z	Relative Intensity
58.06601	2.6
60.08167	6.2
67.04255	0.3
70.61059	0.5
72.08163	0.4
76.55869	0.2
101.73821	0.2
105.07025	0.6
110.68405	0.2
115.05460	2.8
117.05747	1.2
130.06548	0.2
132.08099	5.0
133.06487	1.1
134.29753	0.2
142.06500	1.0
143.07376	0.4
159.06763	0.4
160.07585	100.0
161.07925	0.7
176.07101	0.4
219.11644	1.3
219.14931	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	219.1493
Annotation	N-Ethylcytisine
Peak:m/z	Relative Intensity
58.06594	1.4
60.08166	6.2
67.04257	0.3
69.73672	0.7
105.07066	0.6
105.70502	0.2
115.05458	2.8
117.05766	1.4
118.06464	0.3
132.08089	4.7
132.09033	0.4
133.06488	0.7
142.06549	0.8
143.07327	0.2
159.06770	0.4
160.07584	100.0
161.07933	0.7
167.23389	0.2
176.07063	0.4
219.14940	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	219.1381
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
52.89964	0.9
55.05512	1.7
55.64699	0.8
65.03939	1.1
67.05509	4.1
69.45155	0.9
70.52865	0.8
70.69046	2.6
71.04977	1.1
72.08167	2.1
72.80759	0.8
77.43175	0.8
79.05489	2.0
81.07063	1.3
85.06548	1.4
85.31936	0.8
91.05487	12.5
95.08602	0.9
98.97595	1.6
105.07026	8.5
107.04961	3.1
107.08578	1.6
115.05466	2.4
116.06280	1.4
117.07031	6.1
119.08593	9.6
121.06520	2.9
121.10178	1.4
128.06212	1.0
129.07016	6.9
130.07790	2.0
131.04932	21.6
131.08569	32.5
133.06534	5.6
135.08040	1.1
141.06952	4.3
142.07759	2.0
143.08595	2.3
144.05713	2.5
145.06493	13.9
145.10126	12.7
146.07253	2.7
147.08055	78.3
149.09592	1.3
153.06972	1.8
154.07878	1.0
155.08559	19.8
157.06476	1.9
158.07285	18.1
159.08066	34.9
159.11646	2.2
160.08830	6.8
171.08067	3.2
172.08846	4.9
173.09633	100.0
173.13184	4.6
174.06813	2.1
174.10027	1.3
175.11194	80.9
183.11693	2.9
186.10432	3.9
189.09148	3.6
191.10744	4.5
201.12755	61.0
203.14331	2.5
219.13823	53.8
219.17232	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	219.1381
Annotation	4-Methoxy-3-(isopenten-2-yl)acetophenone
Peak:m/z	Relative Intensity
55.05508	1.2
58.06613	2.7
63.65879	0.5
67.05491	0.5
69.03429	0.6
69.07057	0.8
71.72440	0.6
78.34750	0.6
79.05505	1.6
81.03453	0.5
81.07053	3.0
83.85345	0.6
91.05479	2.4
93.07074	1.6
95.04939	0.9
98.21545	1.4
105.07035	3.3
107.04961	0.7
107.08564	1.4
115.05426	1.4
117.07030	2.1
119.08578	1.8
121.06493	2.5
121.10134	1.6
129.06995	1.0
131.04922	1.8
131.08551	1.3
133.06485	2.4
133.10123	1.8
135.11671	0.8
136.05185	1.1
141.07036	0.7
143.08530	0.8
144.05687	0.9
145.06465	2.1
145.10144	1.3
146.07272	6.3
147.08078	3.7
147.11728	0.7
149.02307	1.2
151.07562	4.1
157.06464	1.3
158.07297	1.8
159.08067	4.2
159.11763	0.7
160.08827	1.5
161.05980	7.6
161.09613	1.0
161.13284	1.3
162.06789	9.9
162.77229	0.7
163.07520	1.3
172.08812	2.3
172.94241	0.6
173.05968	1.2
173.09650	17.0
174.06757	3.3
175.07527	7.3
175.08775	0.6
176.08354	14.0
177.09113	26.5
187.11192	3.1
188.08351	0.8
188.11990	16.4
189.05423	0.8
189.09132	11.1
190.09895	13.0
191.09019	0.7
191.10655	4.3
201.09109	1.8
201.13025	0.8
201.16431	1.1
202.09991	0.7
203.14328	7.1
204.11479	6.4
217.12350	0.8
219.08064	1.6
219.10268	2.7
219.13818	100.0
219.17267	27.1
219.21024	1.2
220.14275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1381
Annotation	4-Methoxy-3-(isopenten-2-yl)acetophenone
Peak:m/z	Relative Intensity
55.01889	0.5
55.05504	0.8
56.78913	0.4
56.96568	0.5
58.06588	2.0
67.05505	1.1
69.07069	1.3
71.52208	0.7
79.05485	1.3
81.03421	0.7
81.07071	3.0
85.06528	0.5
86.95734	0.4
91.05480	4.7
93.07034	1.7
95.08600	1.8
97.06525	1.1
103.05476	1.2
105.07055	2.8
107.04974	0.6
107.08619	2.3
109.06516	0.6
109.10170	0.9
111.08092	1.1
115.05479	1.9
116.06264	0.8
117.07003	2.3
119.08607	2.7
121.06490	3.7
121.10137	2.0
123.08062	0.8
128.06233	1.5
129.07022	4.8
130.04166	0.5
130.07785	0.5
131.04935	1.9
131.08589	3.9
133.06502	3.7
133.10117	1.9
134.10439	0.5
135.08060	0.7
135.11646	0.6
135.64180	0.5
136.05220	0.7
137.05920	1.2
137.09656	0.6
141.06985	1.9
144.05711	2.1
145.06509	2.6
145.10159	1.9
146.07281	6.3
147.04402	0.9
147.08046	3.3
147.11650	0.5
148.05278	0.5
149.05937	0.7
149.09631	0.8
151.07573	5.4
157.06514	2.6
157.07603	0.7
158.07303	4.1
159.04425	1.5
159.08066	8.1
159.11682	1.2
160.05186	0.9
160.08850	5.5
161.06004	8.2
161.09595	2.3
161.13362	1.0
162.06772	10.1
163.07533	0.9
163.11131	0.9
169.07674	0.5
170.07307	0.5
171.08067	0.6
172.08839	1.4
173.06255	0.5
173.09642	16.1
174.06789	10.3
175.07530	8.6
176.06866	1.0
176.08348	14.5
177.09132	23.7
186.06789	0.9
187.06079	0.4
187.07443	2.6
187.11208	3.4
188.08337	1.4
188.11986	18.6
189.05470	0.6
189.09129	18.6
189.12662	0.7
190.09924	12.5
191.10692	9.0
198.78053	0.5
201.05704	0.5
201.09142	7.0
201.13197	1.0
203.14313	5.2
204.07880	0.7
204.11497	7.3
217.12238	0.6
219.06557	1.4
219.10461	13.4
219.13826	100.0
219.17285	26.6
220.14192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.2
56.04995	1.8
56.96527	2.3
56.96778	0.5
57.05801	0.8
58.06602	41.8
60.04497	0.7
60.08168	6.4
69.07042	1.2
70.06558	1.6
70.74941	0.9
71.07328	1.7
72.08158	54.3
74.06088	3.1
81.58201	0.6
84.04509	25.3
84.08119	0.9
85.02888	1.5
85.72509	0.4
86.09710	37.8
86.35651	0.5
90.09196	11.0
97.02895	0.5
98.97582	13.4
101.50163	0.5
101.91650	0.5
102.05549	0.6
110.09651	0.5
110.97598	0.9
115.05472	2.6
116.98630	3.8
117.05736	1.5
119.01908	0.6
120.04434	1.5
127.04006	0.8
128.98650	0.6
130.04994	5.5
130.06499	0.9
130.08679	0.8
131.03445	0.4
132.08098	5.8
133.06482	1.0
134.99683	1.4
137.10754	1.0
142.06490	1.3
146.06006	1.6
148.03931	1.6
154.94069	0.8
155.11815	3.3
156.10184	3.0
158.06017	1.0
158.99657	0.9
159.06807	1.0
160.07585	100.0
163.03883	0.8
172.95265	0.6
173.12813	0.6
174.05548	1.5
176.07063	7.1
177.00749	2.0
177.04218	0.6
183.11276	1.2
184.09697	14.7
196.04507	0.5
201.12335	15.2
202.10747	2.8
219.01756	1.3
219.11345	62.8
219.13368	9.0
219.15282	6.2
219.17303	1.2
220.11642	1.0
237.02878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08933	0.5
52.43096	0.5
53.93499	0.5
55.05497	1.2
56.96569	5.6
58.06596	0.7
60.04532	100.0
61.85309	0.5
67.05489	0.7
67.53858	0.4
69.07071	0.7
70.02953	1.2
70.06578	1.3
70.09359	0.9
70.09755	1.3
70.68887	0.4
71.01347	0.7
72.08144	1.3
73.02910	0.5
80.49568	0.5
81.03410	0.6
83.04933	0.8
84.08150	0.8
84.96073	0.8
85.02904	1.2
86.09715	65.6
87.04475	0.9
87.05602	4.0
91.05474	0.7
97.06535	0.5
98.97597	47.9
99.97922	0.7
103.03943	0.6
110.97568	1.6
111.04436	0.5
116.98637	14.1
119.04927	0.7
119.08588	0.8
119.75626	0.5
121.10093	0.7
124.99167	0.8
126.09068	0.8
128.10712	2.2
128.98643	1.5
129.06978	0.6
132.10219	53.4
134.99678	2.9
136.93112	1.5
137.02354	5.8
139.45470	0.6
147.04425	1.3
154.94180	1.8
155.11781	0.6
158.11786	2.7
158.99683	6.2
159.02927	1.6
161.01292	0.8
161.04645	0.6
161.13217	0.7
162.05411	0.6
163.03961	1.0
170.99712	1.0
172.09715	0.8
172.95226	1.5
173.12880	31.4
177.00737	5.1
177.05536	0.6
178.02032	1.1
187.02592	1.2
195.01813	0.7
201.12355	6.5
203.14291	2.7
219.01804	1.9
219.06624	0.8
219.11426	0.9
219.13419	17.0
219.17441	12.2
235.04877	0.6
237.02856	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.134
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
56.96572	3.6
57.03446	0.6
59.15088	0.5
60.04531	100.0
69.07081	0.8
70.06627	0.7
70.68696	1.8
71.01366	0.8
72.08160	0.9
81.07040	0.7
84.08173	0.8
85.02929	0.8
86.09713	66.5
87.05600	3.3
97.02938	0.7
98.97592	33.5
99.97973	0.6
110.97566	0.6
116.98640	10.3
117.91209	0.6
120.08136	0.6
128.10783	2.0
128.98605	0.7
132.10216	56.0
134.99702	2.5
136.93199	1.0
137.02364	1.3
140.10771	0.9
145.10150	0.6
147.15564	0.5
154.94249	1.9
155.11826	0.8
158.11836	2.2
158.99640	3.4
159.02960	1.5
163.03961	0.8
172.09697	0.9
172.95366	0.7
173.12877	31.1
177.00746	3.1
201.12361	6.7
203.14323	3.3
219.10188	0.8
219.13417	14.2
219.15338	1.0
219.17455	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	219.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.2
56.04995	1.8
56.96527	2.3
56.96778	0.5
57.05801	0.8
58.06602	41.8
60.04497	0.7
60.08168	6.4
69.07042	1.2
70.06558	1.6
70.74941	0.9
71.07328	1.7
72.08158	54.3
74.06088	3.1
81.58201	0.6
84.04509	25.3
84.08119	0.9
85.02888	1.5
85.72509	0.4
86.09710	37.8
86.35651	0.5
90.09196	11.0
97.02895	0.5
98.97582	13.4
101.50163	0.5
101.91650	0.5
102.05549	0.6
110.09651	0.5
110.97598	0.9
115.05472	2.6
116.98630	3.8
117.05736	1.5
119.01908	0.6
120.04434	1.5
127.04006	0.8
128.98650	0.6
130.04994	5.5
130.06499	0.9
130.08679	0.8
131.03445	0.4
132.08098	5.8
133.06482	1.0
134.99683	1.4
137.10754	1.0
142.06490	1.3
146.06006	1.6
148.03931	1.6
154.94069	0.8
155.11815	3.3
156.10184	3.0
158.06017	1.0
158.99657	0.9
159.06807	1.0
160.07585	100.0
163.03883	0.8
172.95265	0.6
173.12813	0.6
174.05548	1.5
176.07063	7.1
177.00749	2.0
177.04218	0.6
183.11276	1.2
184.09697	14.7
196.04507	0.5
201.12335	15.2
202.10747	2.8
219.01756	1.3
219.11345	62.8
219.13368	9.0
219.15282	6.2
219.17303	1.2
220.11642	1.0
237.02878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01856	0.7
56.96558	1.0
58.06586	2.9
63.31951	0.6
70.24918	1.4
70.25314	1.6
76.07602	0.6
91.05485	7.0
92.90832	0.7
93.07022	1.0
103.05447	2.0
105.07030	1.0
107.08591	0.7
107.23710	0.8
115.05459	5.9
116.06225	1.2
117.07008	3.0
119.08544	0.9
121.10153	1.2
128.06213	6.8
129.07010	31.3
130.07782	2.7
131.04947	6.2
131.07600	1.5
131.08578	27.9
133.10081	1.4
137.05959	3.2
141.06995	26.2
143.04878	0.9
143.08536	1.9
144.05722	3.4
145.06487	4.4
146.07295	3.6
148.05186	1.4
155.82207	0.8
157.06497	16.7
158.07280	17.3
159.04420	1.9
159.08060	20.5
160.05215	3.8
160.08736	0.8
161.09628	3.4
163.07483	1.7
166.58427	0.8
169.06476	11.6
169.07814	1.1
170.07254	4.7
171.04396	0.9
171.08090	0.9
173.05969	2.8
173.09621	1.7
174.06772	57.0
175.07547	9.5
186.06760	15.5
187.07474	1.8
188.08328	3.4
189.09119	78.0
190.09669	1.3
191.10693	5.9
196.27173	0.7
201.09116	31.7
201.53008	0.8
203.14297	3.3
219.10161	100.0
219.13710	2.5
219.17427	12.4
220.10506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.5
55.05550	1.3
58.06624	1.4
67.05511	2.5
69.06776	0.4
69.07112	1.9
69.28963	0.4
79.05505	2.4
81.03425	4.4
81.07066	3.7
83.05019	0.5
83.08692	0.5
91.05498	3.2
93.07058	2.0
95.08609	3.1
97.06529	2.5
98.21569	0.6
103.05514	1.5
105.03410	0.6
105.07053	3.6
107.04977	1.0
107.08575	2.6
109.06562	0.6
109.10161	2.0
111.04495	0.6
115.05460	3.5
116.06269	0.8
117.07059	1.7
119.08562	2.3
121.06490	0.5
121.10172	2.1
123.04408	2.0
123.11714	0.5
128.06204	2.1
129.07021	4.2
130.07823	1.3
131.04939	7.7
131.08571	2.5
133.06566	1.1
133.10184	1.4
135.08118	0.9
135.11728	1.2
136.05283	0.6
141.07039	1.0
142.04178	0.5
143.04933	3.6
144.05717	2.7
145.06508	4.1
145.10187	2.1
146.07326	1.4
147.08171	0.4
147.11729	1.2
149.05992	0.5
149.13324	0.7
151.03957	2.2
151.07556	13.5
153.70024	0.4
155.06036	0.7
157.06488	8.9
158.07289	22.1
159.04436	16.1
159.08087	2.1
159.11757	1.6
160.08878	1.6
161.05984	8.3
161.09605	0.7
161.13261	0.7
163.14848	0.9
173.06000	1.4
173.13272	1.6
174.06783	55.1
175.07468	1.9
175.14894	0.5
185.05980	0.8
186.06776	1.8
188.04643	0.8
188.08385	1.3
189.05630	4.1
189.09125	100.0
190.07849	0.4
190.09433	0.8
191.08591	1.1
191.10687	1.9
201.05499	5.0
201.09125	45.4
201.12857	1.7
201.16393	1.2
203.14369	3.3
204.07765	0.5
219.06322	0.8
219.08069	2.0
219.10199	6.2
219.13840	3.2
219.17439	14.9
219.21114	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	Bitalin A
Peak:m/z	Relative Intensity
53.03949	0.7
54.59721	0.5
55.05517	0.9
58.06606	3.0
59.36056	0.5
61.42440	0.4
66.18130	0.5
67.05513	1.4
67.28300	0.5
69.07053	0.5
70.77091	1.0
70.77432	0.7
78.43309	0.4
79.05504	0.6
81.03427	15.2
81.07062	1.3
91.05494	2.4
93.07022	0.8
95.08637	0.8
105.07029	1.6
107.04959	2.1
107.08627	1.0
108.05744	1.2
115.05412	2.9
117.07027	1.6
119.08572	2.4
121.06532	1.3
121.10171	1.5
123.08041	0.5
128.06226	2.0
129.07010	5.5
130.07774	0.6
131.04944	3.0
131.08583	1.9
133.06502	1.1
133.10132	1.7
135.04390	1.0
136.05209	1.7
143.04958	2.2
144.05685	2.9
145.06491	3.3
145.10126	1.2
146.07263	1.6
149.02437	0.7
151.07553	33.4
155.06033	0.9
157.06506	8.3
158.07291	20.7
159.04424	12.8
159.08012	3.2
159.11662	0.9
160.08855	5.0
161.06010	1.2
161.09628	0.7
161.13274	1.4
172.05255	0.6
173.06010	1.4
173.09502	0.7
174.06781	57.5
175.07466	1.5
176.08409	1.0
177.09111	1.3
185.06047	1.1
186.06799	1.6
187.07590	0.9
188.08327	2.3
189.09120	100.0
190.09673	0.7
191.08807	0.9
191.10663	6.7
201.09113	45.8
201.16426	0.8
202.09497	0.6
203.14343	4.6
204.07710	1.4
219.06433	1.3
219.08070	3.0
219.10170	7.5
219.13794	1.7
219.17448	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05507	1.0
57.03440	0.9
58.06609	49.3
60.08160	1.4
66.44212	0.9
67.05486	2.3
69.03406	0.8
69.07056	1.2
69.45665	6.6
70.16199	0.8
72.08136	0.9
79.05486	2.3
81.07037	3.6
91.05488	10.2
93.07032	2.9
95.04952	0.9
95.08563	2.7
98.06799	0.8
98.97549	1.1
103.05461	1.7
105.03398	0.9
105.07048	4.9
107.08575	2.5
109.10172	1.2
115.05462	7.0
116.06192	2.0
117.07001	2.8
118.06527	0.8
119.08550	2.9
121.10095	3.2
125.09616	1.2
128.06229	5.8
129.07014	28.2
130.07765	2.6
131.04955	5.7
131.07620	1.4
131.08582	28.2
132.04372	1.5
132.08058	0.9
133.10158	6.0
135.08125	0.9
135.11707	1.3
137.05943	2.8
140.33801	0.9
141.07007	26.0
143.04921	1.6
143.08522	3.1
144.05716	4.3
145.06470	5.0
145.10100	3.9
146.06061	1.5
146.07246	2.9
147.04404	1.0
147.11749	1.1
151.07452	1.0
155.05974	1.1
157.06488	17.9
158.07288	17.5
159.02870	1.2
159.04367	2.6
159.08072	21.5
159.11632	3.4
160.03995	2.2
160.05185	4.2
160.07613	15.2
161.05934	3.7
161.09602	2.9
161.13274	1.5
162.06760	1.2
163.07492	1.7
168.05612	1.3
169.06490	12.2
169.07747	0.8
170.07297	4.8
171.08018	2.2
173.05925	3.8
173.09525	0.9
174.06787	54.3
174.08960	4.1
175.07472	7.0
176.07065	8.4
185.06029	0.9
186.06770	14.1
188.03452	31.4
188.08269	3.0
189.09125	74.7
191.10692	6.7
201.07343	1.9
201.09119	31.6
201.16301	2.6
203.14244	4.6
219.10118	100.0
219.17430	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1019
Annotation	Bitalin A
Peak:m/z	Relative Intensity
58.06589	1.7
67.68825	0.4
70.02071	1.8
72.86329	0.5
81.03412	1.6
81.07051	0.6
91.05487	0.7
95.08588	0.4
103.05481	0.7
105.07017	0.5
115.05479	1.9
116.06230	0.5
117.07035	1.2
119.08649	0.4
121.06520	1.0
121.10152	0.5
128.06213	2.3
129.07028	4.5
130.07785	0.5
131.04906	2.6
131.08571	0.8
135.04431	0.5
136.05276	0.8
136.09959	0.4
141.06909	0.5
142.04124	0.8
143.04919	2.5
143.08597	0.5
144.05719	2.4
145.06476	3.6
146.07265	1.9
151.07556	6.4
155.06007	0.9
157.06502	9.8
158.07291	22.6
158.55730	0.5
159.04442	14.4
159.08031	1.6
160.08862	2.0
161.05997	1.0
162.06783	1.4
172.05135	0.6
173.05989	1.0
173.09633	1.8
174.06779	64.4
175.07469	2.0
176.08339	2.8
177.09024	2.4
182.50261	0.5
185.05914	0.9
186.06822	1.8
188.08330	0.8
188.11938	1.9
189.09122	100.0
190.07730	2.1
190.09674	1.9
191.08730	3.3
191.10544	3.5
201.09122	50.2
202.09512	0.9
203.14339	1.5
204.11505	0.5
218.07246	1.0
219.08026	13.2
219.10214	3.5
219.13809	10.7
219.17371	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	219.1017
Annotation	Bitalin A
Peak:m/z	Relative Intensity
50.50797	0.4
55.01889	0.4
58.06311	0.6
58.06604	13.2
60.08153	0.4
69.07087	0.4
70.19149	0.4
70.69226	0.9
72.08130	0.4
78.68846	0.3
79.05502	0.4
81.03426	6.0
81.07072	0.8
91.05480	1.2
93.07054	1.0
95.04964	0.4
95.08601	0.6
103.05475	1.5
105.07062	2.6
107.05002	0.9
107.08598	1.5
108.05751	0.5
109.10151	0.7
115.05453	3.0
116.06234	0.8
117.07021	1.2
119.08585	0.7
121.06560	0.5
121.10178	0.9
128.06223	2.6
129.07031	4.2
130.07808	0.8
131.04028	0.7
131.04935	7.1
131.05841	0.6
131.08585	1.5
133.06497	1.4
133.10123	2.0
135.04436	0.4
135.11632	0.4
136.05190	1.1
140.06209	0.8
141.06970	0.5
142.04178	0.9
143.04924	3.0
144.05664	2.2
145.06477	2.9
145.10068	0.7
146.06151	0.5
146.07304	1.1
147.04436	0.5
151.03891	2.4
151.07553	13.9
155.06042	0.9
156.05742	0.7
157.06490	9.2
158.07283	23.1
159.03059	0.9
159.04424	16.7
159.08095	2.0
159.11696	0.8
160.07616	3.1
160.08766	0.7
161.06007	9.3
161.13216	0.7
163.07460	0.4
171.04416	0.8
172.05214	0.7
173.05988	1.7
174.06776	55.2
175.07492	1.1
176.07112	2.0
177.05437	0.6
177.09102	0.5
185.05942	0.7
186.06784	1.5
188.04681	1.0
188.08330	1.2
189.05667	2.8
189.09117	100.0
190.09380	0.6
191.10684	1.3
201.05536	4.9
201.09111	49.6
203.14369	2.0
204.07770	0.5
214.23296	0.4
219.06294	0.6
219.08000	1.2
219.10188	3.3
219.11496	1.1
219.17448	10.0
219.21211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
54.85753	0.6
55.05495	1.1
58.06608	8.3
69.25375	3.4
69.25810	3.4
80.00964	0.7
81.07056	2.0
82.40531	0.7
88.79237	0.7
91.05477	7.0
93.07051	1.4
95.04942	1.0
95.08620	1.4
98.21577	1.7
103.05471	1.9
105.07043	4.7
107.08601	1.0
109.10188	0.9
115.05463	8.0
116.06229	1.9
117.07016	2.6
119.08573	2.9
121.10180	1.8
128.06219	7.7
129.07014	30.7
130.07793	2.1
131.04959	6.1
131.08580	30.8
133.10141	7.2
135.11688	0.9
137.05959	3.0
141.07008	28.7
141.08119	1.5
142.07753	0.7
143.04919	1.4
143.08575	1.9
144.05733	4.5
145.06520	5.2
145.10106	2.1
146.07266	3.2
147.07953	0.8
147.11623	1.4
155.06018	1.3
157.06519	16.9
158.07289	19.3
159.04459	2.6
159.08069	22.3
159.11707	1.7
160.05215	4.7
160.07549	2.4
161.06001	0.8
161.09636	3.0
161.13153	1.0
161.85069	0.9
163.07515	1.5
169.06493	13.3
169.07742	1.2
170.07278	5.8
171.04326	1.2
173.06067	4.7
173.09596	1.4
174.06783	63.4
175.07573	9.1
176.06984	1.6
183.08162	0.9
185.05983	1.2
186.06778	16.2
187.07556	1.6
188.08371	2.9
189.09122	82.4
191.06982	1.2
191.10690	7.2
201.09113	31.5
203.14175	1.5
219.10159	100.0
219.17430	8.9
220.10468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.45828	0.9
54.61448	0.7
58.06606	10.0
67.05511	1.1
69.07043	0.9
70.77705	2.3
71.04983	1.1
81.07033	1.9
81.07478	0.8
91.05482	7.9
93.07040	1.9
93.55210	0.8
95.08591	1.8
103.05438	1.4
104.16175	0.8
105.07042	5.2
107.08607	2.4
115.05460	8.1
115.98287	0.8
116.06211	2.1
117.06970	2.8
119.08550	2.0
121.10109	1.3
128.06264	7.2
129.07008	31.3
130.07826	1.9
131.04939	5.4
131.08577	28.6
131.69148	0.7
133.10153	5.7
135.32625	0.8
137.06001	2.0
141.06996	25.6
143.04939	2.4
143.08588	1.9
144.05702	4.6
145.06523	5.0
145.10091	2.5
146.07240	3.3
157.06506	17.1
158.07285	15.2
159.04446	3.5
159.08069	23.3
159.11681	2.3
160.05167	3.7
160.07591	3.1
161.05966	2.3
161.09598	2.6
161.13289	0.9
163.07544	1.6
168.05635	1.0
169.06461	10.3
169.07645	1.4
170.07297	6.0
171.08038	1.2
173.05931	3.9
173.09608	1.1
174.06779	55.5
175.07559	9.6
176.07042	1.4
186.06758	13.8
187.07504	2.2
188.03394	2.4
188.08316	3.1
189.09119	73.6
191.06999	1.5
191.08578	3.8
191.10666	6.5
201.09113	28.9
201.16414	2.3
203.14299	1.8
219.10153	100.0
219.17416	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	219.1018
Annotation	Bitalin A
Peak:m/z	Relative Intensity
53.66666	0.5
55.05527	0.5
55.52504	0.4
57.07072	0.5
58.06610	3.0
67.05514	1.0
68.29830	0.5
69.07075	0.8
69.49764	1.7
69.50179	1.2
78.14137	0.4
81.03441	1.5
81.07074	1.1
88.49786	0.5
91.05489	1.0
93.07027	0.5
95.08640	0.6
97.06596	0.5
103.05501	0.7
105.07036	1.3
107.08612	0.7
109.10194	0.8
113.66348	0.4
115.05474	1.8
116.06286	0.9
117.07040	0.8
119.08572	0.8
121.06563	0.6
121.10173	0.9
123.04411	0.7
128.06236	2.1
129.07030	4.2
130.07805	0.9
131.04927	3.1
131.08592	1.4
133.10132	1.3
141.06987	0.8
142.04147	0.7
143.04926	2.2
144.05705	2.8
145.06540	2.5
145.10213	0.8
146.07277	1.3
151.07562	6.2
155.06050	0.7
157.06516	10.2
157.07748	0.9
158.07289	22.9
159.04436	13.8
159.08032	1.8
159.11731	0.9
160.07605	0.7
160.08841	1.3
161.06049	0.6
161.13272	1.1
172.05264	0.5
172.94415	0.7
173.06065	0.9
173.13290	0.6
174.06786	64.4
175.07401	0.7
177.09204	0.5
186.06783	1.3
187.07600	0.6
188.08403	1.2
189.09126	100.0
190.09483	1.0
191.10666	1.6
201.09126	49.9
203.14316	3.5
219.07994	2.4
219.10226	4.6
219.13573	2.5
219.17458	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	219.1019
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.43497	0.6
57.03435	1.0
57.96486	0.7
58.06607	19.0
61.70840	0.5
67.05511	0.9
69.07050	0.8
69.87911	3.0
75.96861	0.6
79.05495	1.1
81.07042	1.3
84.22023	0.6
91.05497	7.7
93.07035	1.0
95.08607	1.3
100.46786	0.7
101.68167	0.5
103.05455	2.0
105.07041	1.6
107.08523	0.7
107.45373	0.6
115.05460	6.8
116.06240	2.2
117.06993	2.2
117.91071	0.7
118.07762	0.9
119.08544	1.5
121.10133	1.8
124.91663	0.6
128.06236	5.5
129.07022	33.5
130.07741	2.2
131.04955	5.6
131.08577	28.9
133.06429	0.7
133.10132	1.7
137.05992	3.6
140.37294	0.6
141.07007	29.4
143.04916	1.7
143.08507	1.5
144.05734	4.9
145.06508	5.2
145.10048	1.2
146.06165	0.8
146.07274	4.1
147.08035	0.8
148.05124	1.3
153.06906	1.3
155.06017	1.3
157.06494	17.2
158.07289	15.4
159.04410	2.4
159.08075	23.9
159.11653	0.8
160.05243	3.9
160.07565	2.5
160.08813	1.7
161.06000	2.2
161.09586	2.7
161.13167	1.0
162.06760	0.7
162.95010	0.6
163.07532	1.5
169.06488	12.7
169.07787	1.3
170.07272	5.4
171.04358	0.9
171.07983	0.8
173.06021	4.4
173.09586	2.4
174.06783	57.1
175.07535	8.8
176.07016	3.9
176.08333	0.9
177.09042	2.6
185.05937	1.1
186.06786	13.6
187.07501	2.6
187.11116	0.7
188.08363	3.0
189.09125	77.3
190.09505	1.1
191.06995	1.3
191.10695	9.2
201.09126	36.7
203.14268	3.4
219.10136	100.0
219.13731	6.6
219.17412	17.4
220.10532	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	Bitalin A
Peak:m/z	Relative Intensity
55.01903	0.6
55.05524	1.1
57.07118	0.8
58.06606	7.0
58.06871	0.6
67.05524	1.0
69.07087	0.9
69.96362	0.5
71.52234	0.7
72.08167	0.6
79.05523	1.7
79.74010	0.6
81.03421	9.3
81.07098	1.9
83.05010	0.9
91.05473	2.9
93.07091	1.9
95.08627	1.0
103.05500	0.9
105.07030	3.2
106.23363	0.6
107.04987	1.7
107.08615	1.6
107.50185	0.7
107.73917	0.5
108.05782	0.9
109.06564	0.6
109.10145	0.8
110.35999	0.6
115.05499	2.5
117.07034	1.8
119.08606	3.0
121.06543	2.5
121.10160	2.8
128.06244	2.6
129.07013	5.1
131.04948	3.5
131.08609	2.1
133.06543	1.5
133.10162	1.5
135.04434	1.0
135.08148	0.7
135.11740	0.7
136.05238	2.0
137.05992	0.8
143.04948	1.6
144.05745	2.8
145.06514	5.4
146.07338	3.0
147.08066	1.1
149.09674	0.8
151.07558	18.1
155.06059	0.9
157.06516	10.3
158.07285	20.8
158.32300	0.6
159.04430	9.9
159.08037	3.9
159.11726	1.0
159.81247	0.7
160.08842	6.3
161.05991	2.6
161.09663	1.3
161.13304	1.7
162.06796	2.3
163.07483	0.7
173.06047	1.9
173.09599	3.1
174.06784	52.6
175.04037	0.7
175.07533	3.4
175.14912	0.8
176.07018	1.4
176.08392	2.9
177.09142	5.7
186.06741	1.2
188.08345	2.7
188.11969	3.0
189.09120	100.0
190.09818	2.1
191.06879	0.8
191.08777	0.9
191.10693	7.2
201.09119	45.4
201.16463	0.7
203.14349	9.0
204.07796	1.4
204.11501	2.0
219.06305	4.1
219.08087	2.9
219.09836	8.6
219.13863	17.1
219.17432	35.7
219.20982	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	5,6-Dimethoxy-2-isopropenylbenzofuran
Peak:m/z	Relative Intensity
50.32802	0.4
54.68222	0.3
55.05537	0.5
56.96599	0.4
58.06607	7.0
67.05532	0.6
70.91229	1.0
77.51383	0.3
79.05534	0.4
81.03421	0.9
81.07094	1.0
91.05544	1.2
93.07088	0.8
95.08621	0.8
105.07056	1.1
107.08639	0.9
115.05453	2.9
116.06219	0.9
117.07014	2.7
119.08622	1.6
121.10168	1.7
128.06219	2.2
129.03375	0.4
129.07011	2.6
130.04172	1.0
131.04958	0.9
131.08604	1.3
133.06456	0.9
133.10170	1.3
133.32803	0.4
135.04391	0.9
135.08026	0.4
135.11678	0.5
143.04922	5.4
143.08484	0.5
144.05714	4.6
145.06497	40.6
145.10155	1.2
146.03664	0.8
147.04414	0.4
151.07561	2.1
154.94225	0.6
155.04927	0.5
155.06042	0.5
157.02818	2.9
157.06516	1.3
158.07300	5.3
159.04433	3.3
159.08060	12.6
159.11722	1.1
160.07585	1.1
160.08842	0.9
161.05989	6.5
161.13306	0.9
163.07657	0.3
172.05251	2.4
172.94223	0.6
173.05992	28.3
174.06790	11.8
174.07927	0.2
175.03885	0.8
175.07504	1.4
176.07086	1.5
177.05579	0.4
187.07581	1.2
188.08336	100.0
189.05492	26.2
189.09105	17.2
191.10675	0.6
201.09085	4.4
201.16422	1.2
203.07098	0.4
203.14325	3.2
204.07835	47.4
205.08241	0.5
219.10153	63.2
219.17432	14.7
220.10455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	Methyl 2,2-dimethyl-2H-1-chromene-6-carboxylate
Peak:m/z	Relative Intensity
58.06605	11.9
59.39176	0.8
65.03923	0.9
67.05494	0.8
69.59765	3.6
76.03147	0.5
79.05482	0.9
91.05488	17.5
95.08568	0.5
103.05458	2.9
105.07017	1.9
107.04970	1.3
107.08580	0.6
115.04691	1.0
115.05463	15.1
116.06256	14.1
117.07012	2.3
118.04137	0.8
119.04922	0.6
121.45567	0.6
127.05403	1.4
128.06236	9.7
129.06042	0.8
129.07021	28.3
130.07809	3.3
131.04955	6.0
131.08577	34.0
133.06499	1.0
133.10130	0.6
137.05971	1.0
141.06998	22.9
143.04971	1.5
143.08542	0.7
144.05719	50.3
145.06485	4.7
147.04358	0.7
147.08162	0.7
148.05173	0.8
153.05464	2.0
154.06209	0.8
155.04907	2.8
155.06055	3.3
156.05679	0.8
157.06493	12.0
158.07292	12.8
159.08069	61.2
160.07573	2.0
161.06009	4.3
162.03133	0.6
169.06433	3.1
169.07626	8.9
170.07397	0.7
171.04448	1.2
172.05193	5.5
173.05934	1.4
173.09546	0.8
174.05434	1.0
174.06773	6.1
175.07574	5.8
176.04611	0.8
176.06989	1.0
177.05510	3.5
178.06407	0.7
186.06828	5.1
187.07561	63.3
188.08081	1.6
189.05492	5.5
189.09109	7.3
191.07011	3.1
191.10605	0.7
201.09097	3.7
201.16356	0.7
203.07054	1.4
203.14311	1.4
204.07825	12.0
208.85092	0.5
219.10156	100.0
219.17397	7.2
220.10664	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.1
57.07063	1.4
58.06606	25.6
60.08178	1.0
67.05501	2.0
70.22368	3.9
72.55383	1.1
79.05486	1.8
81.07042	2.7
91.05492	18.0
93.07030	1.8
103.05476	4.9
105.07045	3.5
109.10155	1.6
111.08051	1.2
115.05444	13.2
115.10391	1.1
116.06251	8.1
117.07023	3.8
119.08595	2.8
121.10142	2.7
128.06210	9.5
129.07014	30.6
130.07780	3.1
131.04941	13.8
131.08577	77.9
133.06546	1.6
133.10129	1.5
135.11713	1.1
137.05981	9.9
141.06999	45.3
143.04944	5.5
144.05717	14.9
145.06488	5.2
145.10165	1.3
147.04448	1.5
148.05214	6.4
151.07576	6.8
155.06065	2.1
156.05667	1.6
157.06511	21.5
158.07266	8.7
159.08067	100.0
160.05237	8.3
160.07600	3.5
161.05933	3.2
161.13258	1.7
162.06770	3.1
163.07555	7.8
169.06471	23.4
169.07649	2.5
170.07254	7.7
173.06093	1.9
173.09708	1.7
174.05389	1.7
174.06743	10.7
175.07556	34.5
176.07027	3.9
176.08366	1.9
186.06740	16.1
187.07578	5.9
189.09113	31.1
191.06975	4.6
191.10683	77.4
201.09119	51.1
201.16313	1.5
203.14308	4.9
204.57620	1.2
217.37486	1.0
219.06789	1.2
219.09949	20.1
219.13835	5.4
219.17432	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.6
55.05521	1.6
56.96570	2.1
58.06597	2.5
59.03465	0.8
59.04996	0.8
60.04535	1.9
61.02932	19.4
67.05503	1.2
69.03461	1.0
70.06590	1.1
71.01358	33.4
71.42986	1.1
72.08161	0.8
73.02916	0.7
75.04486	50.7
79.05466	1.8
79.68738	0.7
81.07057	1.2
81.79829	0.8
83.05009	1.0
84.99282	1.6
85.02905	1.6
86.09703	2.0
87.04471	17.0
89.02408	6.7
91.05479	1.3
93.07061	1.6
96.20444	0.8
98.97595	11.9
101.06022	1.8
103.03949	57.3
105.07043	1.4
110.97681	0.7
111.04434	1.8
116.98611	3.9
119.08566	2.2
121.10158	1.4
129.05490	0.8
130.06503	1.0
131.03418	14.4
131.06003	1.4
132.04488	0.9
132.10197	0.9
133.10139	1.6
134.99699	1.1
145.06497	1.4
146.06013	2.5
147.04526	0.8
154.93211	1.3
157.07539	1.7
157.94214	0.9
158.06003	1.0
159.02902	100.0
161.13228	1.8
163.03906	0.9
173.05920	1.8
175.08684	1.9
177.00700	1.5
187.02393	8.5
192.02856	0.9
203.14365	9.2
219.04979	12.7
219.07921	1.3
219.11150	2.4
219.17459	33.9
237.02832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41370	26.6
62.63514	27.1
67.01270	26.0
69.36044	25.0
69.58351	80.6
69.58762	89.8
70.06601	45.6
84.08152	83.7
98.97567	37.7
129.14328	29.8
136.84773	28.4
149.22185	26.1
170.00374	27.4
219.02705	100.0
219.17015	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.8
71.37737	0.7
82.06538	0.3
91.05475	2.2
103.05490	0.5
105.07049	2.5
107.04980	0.5
109.06442	0.4
112.04763	1.1
115.05453	2.1
117.05763	1.0
117.07036	2.6
118.04234	0.4
118.06577	1.0
119.04936	1.2
121.06480	1.4
128.06250	1.0
129.07022	2.9
130.06575	3.3
130.07787	2.8
131.04933	7.3
131.07254	0.6
131.08563	1.6
132.08121	0.5
133.06467	0.9
137.05942	0.5
141.06992	1.7
142.07756	2.3
143.08571	1.3
144.05721	1.8
144.08167	0.5
145.06493	100.0
145.10139	6.5
146.05978	4.7
146.06941	0.6
148.07596	0.8
150.04300	0.4
153.07001	0.9
155.06091	0.6
155.08557	8.0
156.07411	0.6
157.06508	3.3
157.08905	0.7
157.10153	1.4
158.06079	1.6
158.07281	19.1
158.09523	0.9
159.06786	3.3
159.08063	10.5
160.07649	1.4
160.08842	23.2
161.09612	4.4
162.05499	1.6
164.07063	1.7
167.07315	0.9
167.08513	0.8
168.08084	0.7
169.06485	4.9
170.06000	0.9
170.07304	1.6
171.06856	0.7
171.08060	12.6
172.07506	0.6
172.08844	1.0
172.11249	1.3
173.09641	38.8
174.08376	0.7
174.10428	2.1
176.07098	3.5
176.10706	0.7
182.09703	0.9
183.08018	1.0
184.08922	2.0
184.11255	1.0
185.08305	1.4
185.09636	6.1
186.09140	49.6
189.09093	0.7
200.10722	4.2
201.09489	0.8
201.11504	32.8
218.11780	60.2
218.21205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1024
Annotation	CJ 15801
Peak:m/z	Relative Intensity
55.05526	1.6
56.05864	0.7
57.03444	1.0
57.10715	0.5
58.02990	0.4
58.06609	4.0
67.05499	0.7
68.05039	0.5
69.03441	1.6
70.06599	5.2
70.56763	1.0
70.57096	1.0
71.05004	0.6
72.08163	2.6
73.26903	0.6
74.06097	0.7
77.67957	0.5
79.05509	0.5
81.07121	0.4
82.06588	4.1
83.04999	1.4
84.04520	0.9
84.05322	0.8
84.08147	15.2
85.02914	1.9
85.08487	0.6
86.09712	1.0
87.04472	2.8
88.04005	4.8
88.30489	0.4
89.06069	0.6
89.10725	0.6
94.06570	0.6
96.08129	2.6
100.07644	2.4
100.08538	0.5
103.03951	3.1
108.08115	0.8
111.04457	2.2
112.04773	2.3
113.06001	1.1
114.05588	0.6
115.03982	0.8
116.07138	1.1
119.01942	0.7
120.02052	1.0
126.09163	13.4
126.10027	0.9
128.07089	25.4
129.07408	0.5
146.03624	1.2
148.61099	0.6
154.08606	2.7
155.07030	0.8
156.07378	3.3
159.06613	1.0
160.07599	8.5
160.19655	0.5
163.03842	1.1
163.31723	0.6
172.09698	100.0
173.10077	0.7
174.08432	3.0
190.02705	0.6
200.09161	1.1
218.10243	100.0
219.11102	0.6
219.15060	0.6
230.07462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1177
Annotation	Glutethimide
Peak:m/z	Relative Intensity
51.02378	0.5
66.76307	0.4
67.05511	0.7
69.07073	0.7
70.93082	1.0
87.89305	0.4
91.04979	0.5
91.05452	2.3
102.06329	0.5
103.05477	0.5
105.07027	1.7
107.04958	0.7
112.04837	0.6
115.05470	1.7
117.05772	1.0
117.07018	1.9
118.06557	0.8
119.04937	1.3
121.06506	2.8
128.06181	0.5
129.07004	1.9
130.06538	4.7
130.07770	0.9
131.04932	7.8
131.07365	0.5
131.08575	2.3
132.05698	0.8
133.06522	0.5
141.06989	2.3
142.07780	2.7
143.07446	0.4
143.08568	1.1
144.05688	2.2
144.08055	0.7
145.06493	100.0
145.10138	3.3
146.05959	5.0
146.06938	0.7
147.06767	0.6
148.07632	1.0
149.04716	0.5
155.05988	0.8
155.08565	3.0
157.06523	2.3
157.08841	1.0
157.10156	1.6
158.06017	2.5
158.07286	6.2
158.09627	1.3
159.06798	4.6
159.08070	14.1
160.07661	2.1
160.08847	32.8
161.09625	3.8
162.05527	1.7
164.07076	1.8
165.06915	0.6
167.07309	0.5
167.08565	1.4
168.08080	0.9
169.06500	6.1
170.05995	0.6
170.07295	2.5
171.06818	0.5
171.08060	11.6
172.07527	1.0
172.08868	1.3
172.11259	1.5
173.05966	0.4
173.09656	12.2
174.08537	0.4
174.09030	0.5
174.10420	3.8
176.07077	5.7
176.10770	0.5
182.09645	1.0
183.08081	1.4
183.10533	0.6
184.07430	0.6
184.08911	2.3
184.11253	0.9
185.08281	1.3
185.09642	7.6
186.09135	46.9
187.09509	0.5
188.08363	1.3
189.05418	0.8
189.09154	0.5
200.10716	4.7
201.11504	35.8
204.07806	0.7
218.11778	60.2
218.21158	0.7
219.10095	1.1
219.12086	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.5
56.96570	15.5
57.03428	1.2
60.95853	4.0
69.03426	1.3
69.07078	1.2
70.06598	9.0
71.37840	1.5
71.95272	1.0
72.04510	1.9
72.08154	4.0
73.02916	2.6
73.08472	1.5
80.62177	0.9
81.19186	0.8
82.07581	0.9
82.30687	0.8
83.04988	1.7
84.08178	4.8
85.02923	7.4
86.06083	1.8
87.04472	2.8
89.03900	2.6
94.02927	1.0
97.02885	2.1
97.06535	3.9
98.97594	100.0
101.00857	1.6
102.00991	1.1
102.96870	6.4
104.98439	0.9
106.12360	0.8
109.02886	1.0
110.97587	2.2
111.04465	1.5
112.04807	1.1
116.98631	37.7
117.03348	2.0
119.01905	1.5
120.97910	3.2
124.16525	1.2
124.99134	3.6
128.07098	1.2
128.98669	1.6
130.04984	1.4
130.08646	1.6
134.99672	8.0
135.04430	3.0
140.00209	4.9
143.00224	2.2
145.02809	1.7
146.03561	1.3
150.00797	1.3
156.06519	2.6
156.10165	1.5
158.01282	7.1
158.98462	0.9
158.99644	4.8
163.02599	1.5
163.03925	15.8
164.04315	1.6
165.03004	1.3
172.06078	2.7
172.09660	1.8
174.03618	2.6
174.08513	2.4
174.11252	2.3
174.99214	1.0
175.99492	1.2
176.02345	1.4
177.00743	15.0
185.01331	1.8
189.00885	1.1
190.07130	1.3
195.01761	5.2
200.12888	3.5
203.02225	1.0
213.00711	1.1
218.03311	4.2
218.06598	4.6
218.10751	1.3
218.17619	1.2
231.01814	2.0
236.04251	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64013	0.3
55.05516	5.7
55.38147	0.3
58.72899	0.3
59.04998	0.7
62.26918	0.3
65.03933	0.4
67.05500	2.9
69.03426	0.4
69.07059	0.3
70.83181	0.5
70.83499	0.4
71.85320	0.3
73.02909	0.3
73.41884	0.3
79.05502	0.4
81.07066	0.8
81.83457	0.4
83.04985	7.8
85.06546	1.4
85.26064	0.3
87.04445	0.7
89.02392	0.7
89.06036	2.8
90.87182	0.3
91.05476	1.8
93.07068	0.4
94.92321	0.3
95.08621	1.3
99.04462	0.6
101.06021	4.3
105.03387	0.4
105.07018	0.8
107.08637	0.4
109.06538	0.3
111.04449	15.7
113.06003	1.2
114.90640	0.3
115.05451	5.3
115.06186	0.5
117.07036	13.0
119.08631	0.5
121.10140	0.4
127.07558	1.5
127.09514	0.7
128.06232	2.2
129.05585	1.9
129.07011	13.0
131.08624	0.6
133.06464	0.4
133.10196	0.4
141.07008	0.5
142.07867	0.6
143.08560	2.3
145.06496	100.0
146.06873	0.6
147.08022	0.4
155.05801	0.7
155.07053	14.5
155.45918	0.3
156.05667	1.0
157.06503	10.2
157.10074	0.8
158.07349	0.5
159.08041	0.9
161.09677	0.7
169.06430	0.8
170.07227	0.9
171.08112	1.5
171.11707	2.6
172.87379	0.4
173.08122	12.0
173.09494	0.5
184.08823	1.7
187.07558	0.6
189.09145	0.6
199.09683	0.8
199.11230	9.7
199.14929	0.5
217.05080	0.7
217.08614	1.8
217.10725	10.1
217.12505	3.7
217.15659	1.5
217.19499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.7
57.07071	0.3
58.10911	0.2
59.04995	0.9
65.03951	0.3
65.39418	0.3
67.05513	2.8
69.03444	0.5
69.07103	0.5
70.06590	0.4
70.76660	0.6
73.02920	0.4
79.05487	0.6
80.76233	0.3
81.07056	0.7
83.04986	9.3
85.06548	2.0
87.04468	0.6
89.02391	0.9
89.06053	2.3
91.05491	1.9
93.07042	0.5
95.08633	0.5
99.04462	0.3
101.06025	4.1
103.05479	0.4
105.03379	0.5
105.07035	0.7
107.08617	0.4
111.04451	16.8
113.05984	1.7
115.05457	4.6
117.07030	13.5
117.07873	0.6
119.08599	0.4
121.10102	0.3
125.99052	0.3
127.07545	1.3
127.09539	0.4
128.06241	1.9
129.05562	2.3
129.07010	13.3
131.08545	0.6
133.06509	0.6
133.10126	0.5
137.05917	0.4
141.07034	0.5
142.07808	0.4
143.08574	2.6
144.05623	0.3
145.06493	100.0
146.06870	0.8
147.11642	0.4
155.07047	16.8
156.05713	1.3
156.09360	0.4
157.06503	11.1
157.10118	0.5
158.07251	0.7
159.08057	1.1
161.09618	0.4
169.06517	0.8
170.07283	0.7
171.08075	2.1
171.11682	2.9
172.05267	0.4
173.08110	14.3
181.10139	0.5
184.08829	2.0
187.07576	0.5
189.09186	0.6
199.09615	1.1
199.11217	9.1
199.14954	0.4
202.06265	0.4
217.05092	0.5
217.08604	2.6
217.10715	11.2
217.12489	4.5
217.15898	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0862
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
50.35821	0.3
53.03955	0.3
55.01871	0.3
55.05515	6.2
59.04993	0.6
64.25250	0.3
65.27089	0.3
67.05507	0.8
68.99803	0.7
69.03438	0.7
69.07063	1.3
69.21703	0.3
70.77541	0.9
71.04974	0.5
73.02918	0.4
79.05476	0.5
81.07057	0.6
83.04989	9.4
83.08620	0.7
85.06548	0.7
87.04463	1.0
89.02392	0.8
89.06036	2.6
91.05490	1.4
93.07037	0.5
95.08601	0.7
97.44911	0.3
99.04460	0.4
101.06027	5.0
105.07037	2.3
107.08596	1.0
109.06516	0.3
109.10184	0.4
111.04450	17.0
113.06052	1.7
114.07887	0.4
115.05454	1.4
117.07025	1.3
119.08601	3.0
121.10190	0.7
127.07569	1.9
127.09512	0.4
128.06221	3.7
128.46002	0.3
129.05524	2.2
129.07007	4.1
130.07784	0.4
131.04942	1.1
131.08554	1.3
133.06493	1.9
133.10124	1.3
137.05937	0.7
139.11200	0.3
142.07820	0.4
143.08588	1.0
145.06496	2.0
145.10149	0.7
146.07289	1.3
147.08064	1.1
147.11723	0.8
155.07053	16.7
156.05753	2.0
157.06505	1.8
157.10175	0.9
159.04425	0.4
159.11717	0.3
161.06032	0.4
161.09648	1.3
171.08095	0.5
171.11728	0.3
173.05988	1.8
173.08118	14.2
173.13268	1.0
174.06787	11.6
175.14818	0.7
187.07573	0.8
189.09125	100.0
189.16487	0.8
190.09433	0.4
199.09660	1.1
199.11578	1.8
199.14780	0.6
217.08620	48.0
217.10715	12.0
217.12680	2.4
217.15833	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	217.0863
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
52.31309	0.5
52.90902	0.5
55.05516	7.9
57.03424	0.7
57.41122	0.5
57.68096	0.5
59.04993	1.3
65.40878	0.6
67.05501	1.0
69.07079	0.7
69.74648	2.5
69.86221	0.5
70.06609	0.6
70.12991	0.5
79.05512	0.6
83.04990	10.2
85.06573	0.8
87.04482	0.8
89.02397	1.3
89.06036	3.0
91.05489	6.4
98.21481	1.1
101.06041	4.3
103.05470	2.3
105.07061	1.1
111.04458	21.6
113.05994	1.6
115.05474	9.1
116.06254	2.0
117.07024	2.0
119.08575	1.5
127.07580	1.7
127.09518	0.6
128.06230	10.0
129.05460	2.9
129.07019	75.8
131.04942	3.4
131.08580	23.4
133.10097	0.5
135.04393	1.4
137.05997	0.6
141.07002	45.0
143.04927	2.9
143.08580	2.4
144.05743	2.8
145.06511	1.7
155.07060	20.3
157.06509	44.1
159.04494	0.9
159.08073	17.8
160.05209	1.5
161.05978	2.2
169.06493	18.3
171.08012	0.7
172.05212	4.5
173.06007	8.5
173.08124	18.5
175.07693	0.6
185.06026	2.6
186.06795	4.8
187.07562	77.4
189.05519	1.3
189.09154	6.6
199.07573	32.8
199.09625	2.2
199.11543	1.9
217.08669	100.0
217.10713	16.5
217.12741	3.7
217.15927	1.8
218.09064	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0861
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
55.01852	1.4
55.05518	8.8
57.89101	0.8
59.05006	0.9
67.05490	1.2
69.03453	0.9
70.06589	1.2
71.04983	1.5
71.36391	1.4
83.04985	11.7
85.06578	1.0
89.02412	1.2
89.06040	3.2
91.05491	6.5
93.82099	0.9
98.98431	0.9
101.06019	6.2
103.05471	1.2
111.04456	21.6
113.06046	1.2
115.05470	8.8
116.06242	1.2
117.07043	2.2
119.08588	2.0
126.09151	1.4
127.07543	1.5
127.09534	3.1
128.06224	11.9
129.05473	4.1
129.07014	90.0
131.04959	4.3
131.08578	19.1
133.06544	1.1
133.10112	0.9
135.04430	2.4
141.06999	30.8
142.07791	3.6
143.04977	1.9
143.08560	2.0
144.05696	3.2
145.06522	4.4
146.07312	1.5
147.08131	1.2
149.05971	5.1
155.05978	1.8
155.07054	22.1
156.05739	1.5
157.06500	54.0
157.10141	3.7
158.07234	1.6
159.04491	2.3
159.06862	1.6
159.08087	18.0
160.05222	1.1
161.06047	3.8
161.09685	2.0
169.06487	12.6
169.07603	1.5
171.08092	1.8
172.05174	7.9
173.06033	11.3
173.08142	21.8
173.09514	1.7
174.06787	12.2
175.07574	3.7
176.07076	2.1
185.06003	7.0
185.09683	2.5
186.06781	3.6
187.07564	83.5
188.08127	1.0
189.05525	1.3
189.09146	18.7
199.07584	23.0
199.09544	1.5
199.11533	7.3
202.06267	2.4
202.09938	3.0
217.08673	100.0
217.10664	14.6
217.12433	23.7
217.15958	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	217.0863
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
55.05507	2.2
67.05502	0.9
70.06594	0.7
70.96551	1.7
71.04999	0.6
71.06953	0.8
83.04987	4.8
84.41859	0.6
89.06036	0.7
91.05482	6.5
91.38641	0.7
99.04460	0.8
101.06015	1.3
103.05458	0.7
111.04460	7.8
113.06036	0.9
115.05466	9.4
116.06251	1.6
117.07024	2.0
126.09102	0.8
127.09480	1.5
128.06229	8.5
129.07022	79.3
131.04950	2.3
131.08586	24.2
135.04440	1.7
141.07007	37.6
143.04947	2.4
143.08559	1.2
144.05725	2.6
145.06451	1.8
155.05971	1.0
155.07077	8.5
157.06511	41.2
159.08075	17.0
161.05969	1.4
169.06500	16.1
169.07787	1.6
172.05202	3.7
173.06003	7.3
173.08125	7.7
185.03998	0.6
185.06056	2.0
186.06746	4.2
187.07568	75.0
189.09099	4.9
198.09207	1.7
199.07579	30.7
199.11528	5.1
217.08647	100.0
217.10634	8.3
217.12747	8.5
218.08839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0657
Annotation	Robustine
Peak:m/z	Relative Intensity
54.42774	0.2
55.05503	0.4
62.01804	0.2
69.16106	0.4
69.16518	1.9
70.06606	1.7
71.04999	1.6
80.04985	0.2
81.03408	0.7
82.06570	0.4
83.04956	1.0
84.08139	0.6
89.06035	0.2
95.33762	0.2
100.07613	0.2
103.93633	0.2
111.04439	1.1
126.09169	5.7
129.05478	0.6
131.04932	0.4
132.08009	0.2
144.04451	8.5
145.05208	0.9
145.06433	0.7
154.08607	0.4
155.07089	1.1
160.03941	0.2
173.04727	1.3
173.08095	1.1
180.10234	0.4
188.07034	0.5
198.11281	9.2
198.27972	0.2
201.04221	54.3
202.04599	0.6
206.77911	0.2
216.06578	100.0
216.12288	17.1
217.06854	1.0
217.10614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.05519	45.9
56.05027	1.9
57.03443	1.9
67.05508	25.2
68.32262	1.8
69.03426	3.4
69.07076	50.4
69.37199	3.6
69.37601	13.4
70.06576	6.4
71.04995	4.6
79.05498	14.4
81.07066	78.8
83.04975	6.2
83.08629	40.3
84.08112	2.5
85.02895	2.2
85.06538	4.7
91.05470	13.7
93.07062	21.8
95.05005	2.3
95.08620	99.8
97.06547	13.2
97.10185	14.0
98.09716	2.8
98.97592	4.1
99.08110	4.0
101.06025	3.1
105.07053	20.2
107.08603	11.1
109.06551	4.7
109.10166	10.6
109.27316	1.8
111.08080	3.5
115.07585	2.4
116.07072	2.1
119.08596	30.3
121.10176	8.7
123.08105	9.0
127.07607	3.4
132.95880	3.0
133.10144	18.3
135.11714	15.3
137.09604	5.0
137.13268	22.0
149.13150	2.7
158.86710	1.8
161.13264	50.0
174.96904	8.3
179.14357	12.3
181.04619	2.1
196.16975	16.8
214.10867	4.6
214.18040	100.0
215.07024	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	215.1644
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
53.03938	1.2
55.01873	2.3
55.05515	23.8
56.83791	0.9
57.03444	3.4
57.07075	2.7
61.35506	0.9
67.05509	31.6
69.03429	2.0
69.07073	26.6
71.04999	16.1
71.10973	1.7
74.09752	0.9
79.05499	15.3
81.07064	75.2
83.05002	5.9
83.08624	18.3
85.06547	20.1
91.05491	18.2
93.07056	19.7
95.08614	100.0
97.06539	23.4
97.10169	9.4
98.98408	0.9
99.08096	11.1
105.07041	23.7
107.08594	9.9
109.06523	2.8
109.10156	7.2
111.08094	4.6
113.09648	2.5
115.07572	2.6
117.07041	1.1
119.08586	36.2
121.10157	10.2
123.08096	5.1
126.09125	1.3
127.07529	1.9
133.10149	26.8
135.11700	19.2
137.09645	4.1
137.13264	16.7
141.06924	1.0
141.09123	1.5
151.14731	1.0
161.13268	80.1
178.07687	0.9
179.14325	45.5
197.09567	1.0
197.15382	18.3
198.11316	2.5
199.03075	0.9
215.10748	2.7
216.12376	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	214.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69337	0.5
56.96572	38.1
60.59982	0.6
61.02930	1.6
61.80865	0.5
69.03456	0.7
69.82133	2.6
70.06602	55.8
70.12429	0.5
71.95273	2.0
72.96037	2.9
73.02924	0.9
74.66216	0.6
82.06604	0.9
84.08154	24.7
84.96046	3.0
85.02921	1.6
85.08482	1.3
96.57662	0.5
97.02914	0.6
98.97596	100.0
100.99155	7.2
101.00894	1.5
110.97583	6.4
115.02471	0.6
116.98634	31.1
119.00224	1.2
119.01900	1.3
124.00751	2.0
126.76945	0.5
126.97058	3.0
127.02418	1.1
128.98628	5.3
130.08641	3.3
134.99658	6.1
136.00713	3.5
140.00233	1.5
142.01808	0.9
144.98082	3.9
145.03502	2.1
146.99660	4.6
149.06053	0.8
154.01773	6.5
154.03043	0.7
158.06546	1.6
161.02925	0.8
162.99120	2.0
165.00749	1.8
168.02101	0.5
168.03337	3.1
170.01328	1.0
172.02829	8.6
172.97636	2.4
173.02982	1.0
174.99124	0.6
183.01843	1.0
186.04428	7.9
188.02327	1.9
190.03889	9.6
190.98660	7.3
191.04085	0.8
196.02812	1.2
204.05492	2.2
206.03429	0.8
208.04919	3.4
208.99710	7.1
214.03897	53.0
214.07474	3.0
214.12529	0.7
220.33492	0.6
221.05095	0.7
232.04961	26.7
232.08368	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	213.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.5
55.01875	2.5
55.05515	16.2
56.96566	1.3
57.03431	3.4
57.07075	7.2
59.05010	1.1
65.03951	1.7
67.05515	19.9
69.03440	3.1
69.06691	1.4
69.07072	28.1
70.06597	10.6
71.05002	17.3
71.08636	1.3
71.51758	1.8
72.08154	4.8
76.27589	0.9
77.03961	1.4
79.05504	18.8
81.03414	2.9
81.07067	56.3
83.04984	1.9
83.08623	21.8
84.04531	1.9
84.08151	1.5
85.02898	1.9
85.06559	9.4
86.09721	9.5
88.07645	2.5
91.02496	1.1
91.05486	11.7
93.07057	27.6
95.01382	1.2
95.04969	3.4
95.08615	100.0
97.02896	2.8
97.04029	1.6
97.06527	4.5
97.10178	8.5
98.97586	5.0
99.04451	3.6
99.08068	2.7
100.11256	4.8
105.07021	3.9
107.04978	6.5
107.08604	39.9
109.02897	3.8
109.06542	1.9
109.10165	31.9
110.07221	1.9
111.04453	1.3
111.08074	3.4
111.11745	2.6
113.09641	2.0
114.09193	1.5
115.07578	2.5
116.07115	1.6
117.07069	1.4
119.04973	5.8
119.08576	4.3
121.06496	2.6
121.10158	54.1
123.08086	2.1
123.11729	16.3
125.06009	2.8
125.09638	3.9
127.03944	6.9
128.10696	1.3
131.10663	1.7
135.04437	1.6
135.08037	4.2
135.11678	12.7
137.13268	29.2
139.11182	1.4
139.14832	2.7
148.97392	1.6
149.05991	1.7
149.09637	3.6
149.13293	4.5
151.03944	4.2
151.14873	3.2
153.05392	1.1
153.09158	1.6
154.12318	1.4
154.56204	1.2
157.10129	1.2
163.07614	1.5
165.09132	1.3
167.07086	6.0
167.10658	2.1
171.14978	1.9
177.05534	1.7
177.09140	2.8
177.16411	54.9
185.07188	2.3
195.06625	6.4
195.08171	1.8
195.10196	5.5
195.13678	1.4
195.17461	6.4
213.07478	2.2
213.09193	5.4
213.11235	5.5
213.16400	4.6
213.18544	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	213.1852
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03949	1.7
53.76106	0.7
55.01868	3.4
55.05519	26.8
56.96579	1.3
57.03429	2.0
57.07079	11.4
57.63059	0.8
59.04987	0.9
59.69759	0.8
59.78553	0.9
67.05177	1.1
67.05515	12.4
68.99787	1.3
69.03429	3.3
69.07076	100.0
70.06596	2.6
71.05004	9.7
71.08624	1.0
71.52598	0.9
72.08162	2.2
76.49632	0.8
79.05496	7.8
81.03448	4.8
81.07064	22.1
83.04992	4.3
83.08631	12.3
85.02903	1.8
85.06536	4.5
85.10188	2.7
87.04458	1.6
88.07646	1.8
91.05488	3.5
93.07063	12.6
95.04975	1.7
95.08619	22.0
96.57030	0.8
97.02899	1.6
97.06542	16.4
97.10177	18.3
99.04425	1.0
99.08078	2.9
99.11716	1.0
104.55603	0.8
105.07043	2.6
107.04961	1.8
107.08606	15.1
109.02877	4.8
109.10165	6.9
109.10799	1.2
111.08086	5.8
111.11728	20.8
113.09673	5.6
119.08604	2.2
121.10146	17.7
123.11707	2.9
125.09643	10.6
127.03918	10.9
128.06238	0.9
129.07002	1.8
130.06500	2.8
130.41364	0.8
131.08551	1.6
133.10147	3.1
135.08095	1.4
135.11716	10.3
137.13269	11.1
139.11197	17.4
142.07782	2.7
143.08571	1.8
149.09602	1.0
149.13297	3.1
151.03970	1.0
153.12773	3.8
155.14302	1.4
157.06529	2.3
157.10149	3.3
159.11766	1.2
165.06993	1.0
167.07056	2.3
167.08566	2.3
171.04506	0.9
171.07942	0.9
171.11676	2.3
177.12857	1.9
177.16434	10.5
185.07237	1.2
185.09627	3.0
189.11224	1.3
195.06554	2.2
195.08125	2.9
195.10052	0.9
195.13770	6.5
195.17464	6.1
198.06694	0.9
213.03836	1.6
213.05588	2.1
213.09158	11.5
213.12735	2.1
213.14767	19.1
213.16325	2.1
213.18288	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03951	1.2
55.01868	2.9
55.05270	1.5
55.05516	18.7
57.07072	4.4
62.74777	1.1
67.05505	5.6
69.03429	1.5
69.07076	17.6
69.47706	6.6
69.48110	2.0
70.06612	1.4
71.05000	4.4
72.08160	2.2
74.76803	1.0
76.84818	1.1
79.05507	7.1
79.05892	1.5
81.03420	2.2
81.07063	18.9
81.66644	1.0
83.04973	1.6
83.08621	12.7
85.06544	6.6
91.05489	2.8
91.58120	2.7
93.07063	14.7
94.87863	1.0
95.08617	36.7
95.77955	1.0
97.10196	7.2
98.21515	1.5
99.04406	1.4
99.08102	35.3
100.07605	1.2
100.11275	18.5
104.33749	1.0
105.07072	2.3
107.08606	36.6
109.02861	1.8
109.10168	7.5
111.04469	1.9
111.08092	18.4
113.09650	2.6
116.06990	1.3
117.13937	1.4
119.08602	1.9
121.10155	59.1
123.04467	1.1
123.11703	3.5
125.09636	6.5
127.03938	7.6
133.10162	1.2
135.11710	14.8
137.13220	8.9
139.11180	1.4
141.11491	15.8
145.08397	1.1
149.13274	5.2
154.12274	3.3
155.11269	2.5
157.10127	2.3
167.07060	1.1
177.16402	100.0
180.04189	3.6
182.15422	9.0
183.02911	1.9
185.09351	1.1
195.06497	4.7
195.17468	16.2
198.05154	1.2
199.18114	8.9
210.14989	1.6
213.05647	2.3
213.07336	6.5
213.09174	3.4
213.18373	21.1
214.18010	1.3
225.16048	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	213.1851
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01873	2.2
55.05512	8.6
56.96570	1.0
57.07063	2.1
62.73214	0.9
65.52467	0.8
66.91427	0.9
67.05508	6.0
68.99801	1.3
69.03441	1.1
69.07071	18.6
69.66282	3.6
69.66699	2.0
70.06588	1.5
71.04984	4.4
72.39786	1.0
79.05495	8.0
81.03431	1.2
81.07066	18.3
83.08615	7.4
85.06563	5.5
91.05479	2.7
93.07051	14.1
95.04949	1.5
95.08617	33.8
97.06536	1.5
97.10188	6.9
98.97605	2.8
99.08104	31.3
105.07053	4.3
107.04954	2.7
107.08602	34.4
109.06523	1.5
109.10168	9.7
111.08088	15.9
113.09629	2.5
121.02955	1.2
121.10156	52.6
123.04432	1.5
123.11730	1.4
125.09648	5.8
127.03902	1.4
131.58505	0.9
135.04436	2.8
135.11690	12.3
137.13264	6.9
139.11142	1.9
149.13321	4.5
152.04713	1.9
163.03896	9.1
167.08617	1.0
171.06522	2.0
177.05676	1.1
177.16397	100.0
178.16780	1.0
179.03424	2.4
180.04190	15.9
183.02904	7.5
184.56520	0.9
195.06544	17.0
195.17458	13.7
198.05246	4.3
213.05588	1.5
213.07556	25.0
213.09192	1.5
213.13033	2.3
213.16490	2.3
213.18488	14.4
216.90723	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1851
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03931	1.9
55.01879	3.0
55.05515	22.0
57.03461	2.0
57.07068	10.7
59.26537	1.3
61.02939	1.6
65.03946	1.9
67.05504	20.3
69.03413	2.2
69.07076	31.8
69.72374	7.7
70.06595	3.2
71.04996	14.7
71.08637	1.4
72.08138	1.5
75.32176	1.3
79.05496	17.6
81.07061	57.7
83.04971	3.5
83.08624	24.7
83.09116	1.8
85.06559	10.8
90.26550	1.2
91.05487	64.1
93.07043	29.3
94.06589	2.2
95.04964	3.8
95.08614	100.0
97.06523	5.6
97.10181	13.3
98.97604	1.8
99.08102	17.1
105.07037	5.7
107.04964	6.0
107.08601	50.4
109.09466	2.7
109.10166	31.4
111.04460	1.8
111.08105	7.1
111.11734	2.6
113.09641	2.5
115.07575	3.9
117.66619	1.3
119.04951	74.7
119.08611	1.6
120.05750	4.2
121.10155	71.2
123.08127	1.5
123.11724	17.5
125.09621	8.0
125.13245	2.0
127.03918	3.8
131.10716	1.5
133.10161	2.1
135.11694	25.4
137.13268	28.7
139.14810	2.1
142.07733	1.9
149.13309	6.4
152.06239	5.1
157.10182	1.6
165.07051	4.2
166.07739	1.7
167.08612	5.7
177.06984	3.9
177.12794	3.9
177.16405	98.1
185.07210	1.8
185.09656	2.1
195.06480	1.8
195.08044	5.8
195.13832	7.3
195.17435	14.3
196.09459	1.6
205.81134	1.5
213.05502	2.2
213.09132	26.1
213.11186	1.7
213.12225	5.9
213.16606	2.6
213.18484	13.3
229.06233	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1851
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03944	1.7
55.01878	1.1
55.05270	1.3
55.05516	16.9
56.96580	1.2
57.03422	2.1
57.07080	9.5
58.44029	1.0
59.04978	1.5
61.02902	0.9
67.05508	18.1
69.03442	1.3
69.07072	22.3
70.06580	3.0
71.05001	17.2
71.08609	2.1
71.24501	0.7
71.24860	1.5
72.08143	2.5
79.05500	16.1
81.03407	1.4
81.07066	54.3
83.04987	1.1
83.08155	1.9
83.08627	25.5
85.06551	10.1
86.09711	2.4
88.07635	1.3
91.05495	6.0
93.07048	26.5
95.04961	2.4
95.08616	100.0
96.97404	0.8
97.02905	0.9
97.06534	3.7
97.10169	7.4
98.97590	1.6
99.08083	2.9
103.05473	1.4
105.07043	3.6
107.04951	6.6
107.08606	37.4
109.02889	2.0
109.06505	1.9
109.10163	36.3
111.04451	1.1
111.08073	2.4
111.11736	2.9
114.59303	0.8
115.07556	2.3
117.07047	1.1
119.04943	1.3
119.08598	2.0
121.06483	2.6
121.10154	47.4
123.04487	1.3
123.11717	18.3
125.06004	1.0
125.09639	3.3
125.13235	1.3
127.03934	3.4
129.06990	1.1
131.10681	1.9
135.08072	1.1
135.11702	13.5
137.13274	27.1
137.74702	1.0
139.11169	1.2
139.14828	4.0
143.10651	1.1
149.13307	4.2
151.03938	2.6
151.14807	2.5
153.09177	0.9
155.07051	0.9
163.07587	1.5
167.07050	7.4
177.09146	2.4
177.16408	60.0
178.16838	1.0
195.06471	1.3
195.08258	1.0
195.10184	3.2
195.15770	1.9
195.17482	6.5
213.09193	2.0
213.11227	2.6
213.12973	1.2
213.16536	2.2
213.18492	10.5
217.81880	0.8
228.17775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84726	0.8
55.05522	4.1
55.57303	0.7
56.96555	0.9
57.07079	5.7
67.05491	3.0
69.07076	9.1
70.06577	1.7
71.04993	3.5
71.51716	0.9
72.08148	1.9
79.05508	5.3
80.26925	0.8
81.07049	4.5
83.08614	3.5
84.08143	1.4
85.02911	2.2
85.06525	1.3
88.07639	4.9
90.63743	0.7
91.05483	7.8
93.07036	7.8
95.08629	3.9
97.06535	1.5
103.05490	1.4
105.07043	46.7
107.08614	8.5
109.10153	1.2
117.07033	2.9
119.08593	40.3
121.10152	9.5
128.06236	6.6
129.07021	4.6
131.08563	2.8
133.10127	7.9
135.11702	1.3
139.07561	1.2
141.07024	2.2
142.07780	11.7
143.08572	37.8
145.10156	3.5
149.13277	1.3
150.01807	0.8
155.08560	1.8
156.09357	13.0
157.10141	41.9
158.10776	1.0
159.11731	2.7
169.10165	2.9
170.10895	2.5
171.07935	1.3
171.11710	40.0
172.16963	6.7
177.12802	1.1
183.11687	5.0
184.12453	2.3
184.18774	2.6
185.09837	1.1
185.13232	4.7
195.06482	1.8
195.11777	1.4
195.13718	1.4
198.10423	0.9
198.14030	5.6
211.28827	0.9
213.06995	0.9
213.08928	2.7
213.12924	2.6
213.16403	100.0
214.16893	1.7
214.25342	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01877	9.4
55.05518	46.1
57.03422	2.3
57.07077	1.0
59.05000	2.0
65.03925	1.5
67.05188	1.5
67.05514	19.3
67.72635	0.8
69.03431	4.7
69.07076	12.0
70.06577	1.2
71.05000	50.3
79.05497	12.7
81.03410	1.7
81.07065	25.1
83.04990	4.5
83.08625	30.4
84.08140	0.8
85.02894	1.4
85.06548	4.8
87.04480	8.2
91.05484	5.6
93.07046	12.9
95.08614	9.7
96.96297	0.8
97.06538	65.0
97.10177	45.6
98.21584	2.5
99.04430	0.9
99.08134	1.5
101.05984	0.9
101.09658	1.6
105.07014	2.6
107.04962	1.2
107.08604	15.7
109.06491	1.9
109.10170	14.5
111.08094	3.3
113.06007	1.1
117.07022	3.9
119.08592	1.5
121.06513	1.3
121.10141	5.5
123.11639	1.1
125.09642	27.7
127.03905	2.4
127.07580	0.8
128.06264	0.9
129.07034	1.5
131.08591	4.0
133.10103	3.6
135.08095	4.1
135.11699	4.8
139.83823	0.8
142.07782	1.9
143.08536	0.9
143.10672	0.9
147.11649	0.8
149.09671	1.4
149.13214	4.0
153.09129	2.3
157.10132	1.5
159.11720	4.4
165.12776	0.8
167.07103	0.9
167.08568	1.0
171.10240	0.8
171.11668	1.3
177.12764	5.2
177.16360	3.2
180.04288	0.9
185.09645	1.6
189.11206	5.5
195.06517	2.3
195.08130	1.4
195.13826	36.8
196.14136	0.9
213.09306	6.7
213.14853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03939	1.5
55.01877	9.4
55.05518	46.1
57.03422	2.3
57.07077	1.0
59.05000	2.0
65.03925	1.5
67.05188	1.5
67.05514	19.3
67.72635	0.8
69.03431	4.7
69.07076	12.0
70.06577	1.2
71.05000	50.3
79.05497	12.7
81.03410	1.7
81.07065	25.1
83.04990	4.5
83.08625	30.4
84.08140	0.8
85.02894	1.4
85.06548	4.8
87.04480	8.2
91.05484	5.6
93.07046	12.9
95.08614	9.7
96.96297	0.8
97.06538	65.0
97.10177	45.6
98.21584	2.5
99.04430	0.9
99.08134	1.5
101.05984	0.9
101.09658	1.6
105.07014	2.6
107.04962	1.2
107.08604	15.7
109.06491	1.9
109.10170	14.5
111.08094	3.3
113.06007	1.1
117.07022	3.9
119.08592	1.5
121.06513	1.3
121.10141	5.5
123.11639	1.1
125.09642	27.7
127.03905	2.4
127.07580	0.8
128.06264	0.9
129.07034	1.5
131.08591	4.0
133.10103	3.6
135.08095	4.1
135.11699	4.8
139.83823	0.8
142.07782	1.9
143.08536	0.9
143.10672	0.9
147.11649	0.8
149.09671	1.4
149.13214	4.0
153.09129	2.3
157.10132	1.5
159.11720	4.4
165.12776	0.8
167.07103	0.9
167.08568	1.0
171.10240	0.8
171.11668	1.3
177.12764	5.2
177.16360	3.2
180.04288	0.9
185.09645	1.6
189.11206	5.5
195.06517	2.3
195.08130	1.4
195.13826	36.8
196.14136	0.9
213.09306	6.7
213.14853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	Modiolin
Peak:m/z	Relative Intensity
53.03943	5.5
53.27332	3.3
55.01849	5.9
55.05513	25.9
57.03424	9.5
57.07058	4.0
58.06596	11.8
67.05184	4.8
67.05511	71.8
69.07082	26.2
70.06583	9.2
71.04974	9.2
71.53045	4.5
79.05077	4.0
79.05496	44.6
81.03413	5.7
81.06594	5.7
81.07066	100.0
83.04963	11.4
83.08628	22.8
85.06546	8.4
88.07619	14.8
91.05480	28.9
93.07055	63.8
95.04947	7.4
95.08623	34.0
97.06519	13.1
99.08106	4.4
105.07017	10.9
107.04957	7.1
107.08604	40.2
109.06521	5.9
109.10165	6.3
111.08077	17.3
117.07055	19.6
119.04993	3.8
119.08591	9.5
121.06495	4.4
121.10167	27.7
123.11724	7.0
125.09642	4.7
127.03910	5.9
128.49240	3.8
129.06966	9.3
131.08545	11.5
133.10104	12.9
135.04355	4.9
135.08006	3.5
135.11713	20.1
143.08569	9.6
145.10103	7.0
147.91451	4.0
149.09665	4.8
149.13263	46.0
152.04582	4.0
153.05513	6.8
153.09053	6.2
157.10117	9.3
159.11714	19.8
163.03882	7.7
167.07086	7.8
167.08563	4.7
167.10614	6.0
171.08160	4.4
171.11729	8.9
177.09129	4.9
177.12762	18.1
177.16354	4.4
185.07230	6.7
185.09637	6.7
195.06531	23.5
195.08066	7.2
195.13803	14.0
198.06697	4.3
213.05298	19.3
213.07172	8.3
213.09068	20.4
213.11090	8.5
213.12794	12.0
213.16399	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03936	0.9
55.05273	1.1
55.05515	14.2
57.03443	0.8
57.06837	0.6
57.07084	7.6
60.15697	0.6
66.26682	0.6
67.05503	3.6
69.03445	0.9
69.07061	4.4
70.64671	0.6
71.04988	0.6
71.43472	1.0
79.05485	2.5
81.07060	5.1
82.74147	0.7
83.04986	8.0
85.06556	5.9
88.07619	1.2
91.05486	2.9
93.07052	10.2
93.68748	0.7
95.04971	2.2
95.08614	10.6
97.06516	5.4
105.07030	4.9
107.04968	1.0
107.08601	17.2
109.06521	3.5
109.10185	3.6
111.04452	100.0
111.08071	3.5
113.06002	1.4
117.07043	1.2
119.08591	2.2
121.06532	3.2
121.10146	2.4
122.07301	1.0
123.08047	0.8
125.06004	27.8
125.09599	1.4
127.07597	3.3
135.08057	14.5
135.11705	18.6
137.13251	1.1
139.07538	4.7
143.08580	0.9
145.10135	16.2
153.12764	5.3
159.57761	0.7
159.59065	0.6
163.11198	22.9
181.12247	61.2
182.12596	0.9
195.13853	4.6
213.08917	3.5
213.12735	1.7
213.14821	2.1
213.16432	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	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03947	3.4
55.05517	16.6
57.03439	9.3
57.07069	3.0
65.03927	2.9
67.05510	74.9
69.06729	2.0
69.07077	24.3
71.04990	6.2
71.28840	2.5
77.03927	1.5
79.05496	37.5
81.03410	1.7
81.07065	100.0
83.04966	6.6
83.08628	18.3
84.69884	1.6
85.06517	5.0
88.07635	2.6
88.82272	1.5
91.05487	18.2
93.07053	57.0
95.04957	6.0
95.08614	27.5
97.06540	15.9
99.08099	3.2
99.48085	1.3
105.07048	8.4
107.08598	30.7
109.06477	2.3
109.10133	5.3
111.08089	10.5
117.07038	11.5
119.08609	3.4
121.06467	2.0
121.10157	15.4
123.11726	4.4
131.08577	11.0
133.10146	15.7
135.08047	3.4
135.11694	15.8
141.36772	1.9
149.09581	1.7
149.13272	42.6
159.11705	17.8
177.12735	7.0
185.09717	1.8
195.06526	1.6
195.13795	11.5
213.09116	2.9
213.12766	2.4
213.16463	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0911
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
50.27356	0.3
53.03944	0.5
55.01880	0.7
55.05528	0.6
57.49869	0.4
60.44421	0.3
61.47781	0.3
65.03942	2.4
67.05495	0.7
69.03436	0.9
69.07082	0.7
70.06599	1.0
71.03355	0.8
71.05021	0.5
72.08152	0.7
79.05494	1.5
81.03441	0.5
81.07057	1.6
83.04992	0.4
88.07627	0.5
91.05490	83.3
93.03479	0.3
93.07081	1.0
94.04205	0.5
95.04970	5.1
95.08610	1.2
97.06541	0.5
98.58359	0.3
98.97606	0.6
105.03407	1.1
107.04964	10.1
107.08620	1.2
109.02841	0.3
109.06565	0.9
109.62074	0.3
111.08083	0.5
119.04953	100.0
120.05753	8.4
121.02892	2.4
121.10154	1.0
123.04475	0.4
123.11728	0.5
125.06001	0.5
127.03986	0.5
128.06195	0.3
131.05003	0.5
135.11705	0.6
136.67824	0.3
138.13315	0.4
139.03873	0.8
144.05719	0.8
145.06502	0.4
152.06218	5.5
153.96228	0.4
154.06271	3.2
157.06525	2.2
165.07025	5.2
166.07774	1.7
167.07109	0.9
167.08568	8.3
167.09883	0.7
169.06522	1.0
170.07286	0.7
171.08171	0.5
176.06207	2.0
177.07007	5.7
177.16425	0.7
180.05701	0.4
181.04999	4.2
181.06454	0.5
183.08104	0.5
185.09598	1.7
194.07320	0.8
195.06516	1.0
195.08102	6.2
197.06157	0.5
198.06801	1.5
205.07626	0.4
213.09145	28.8
213.37308	0.3
215.16383	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1123
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03944	1.3
55.01871	2.3
55.05516	7.0
57.03440	22.0
58.06611	0.6
65.03944	0.5
67.05505	2.6
69.03407	0.8
69.07055	0.5
70.06590	0.9
70.68642	1.3
71.04997	1.0
72.08172	0.8
79.05504	5.9
81.03421	0.9
81.07066	2.6
83.04984	5.2
83.65521	0.4
85.06544	2.2
85.23978	0.5
85.25389	0.5
91.05476	3.4
93.07042	6.2
93.58014	0.5
95.04974	9.7
95.08623	2.5
97.06547	1.1
98.51477	0.5
98.97557	0.6
99.04420	0.8
103.05471	2.7
105.07041	4.4
106.04189	0.7
107.04962	25.5
107.08593	3.6
109.06524	13.7
109.10173	0.7
111.04420	0.9
111.08092	2.8
113.06017	6.4
115.05479	1.2
117.07027	1.5
119.08601	0.7
120.05702	1.1
121.06509	4.0
121.10159	2.0
123.04423	2.9
123.08080	12.1
124.05199	1.5
125.06004	13.2
125.09592	0.6
127.03921	0.8
128.10712	0.7
131.04930	0.7
131.08586	2.1
133.06500	0.6
135.08066	11.5
137.05943	0.8
137.09608	1.4
139.07565	0.9
145.07704	0.6
147.04391	0.9
149.05980	0.7
149.09634	8.5
152.04713	1.1
153.09116	21.7
154.06236	1.3
155.06956	0.7
163.07558	13.1
167.07054	63.9
167.10689	100.0
168.11131	0.8
177.09163	2.6
180.07776	1.4
194.39792	0.5
195.10181	27.8
213.06673	1.5
213.09210	0.5
213.11205	9.9
213.13075	1.0
213.16029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0911
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
53.03950	0.4
55.01876	1.0
55.05514	4.0
56.96558	0.9
57.03437	0.5
59.17589	0.3
62.06756	0.4
65.03941	1.7
66.77885	0.3
67.05488	1.5
68.74728	0.4
69.03420	1.9
69.07068	1.4
70.06593	2.1
70.63423	0.8
71.04979	1.0
72.08163	1.8
79.05506	1.1
81.03434	0.9
81.07050	1.6
83.04988	5.4
83.08612	0.4
84.08164	0.6
85.02895	1.0
86.09724	1.8
88.07622	0.8
91.05486	82.3
93.07027	1.8
95.04967	4.9
95.08590	1.8
97.02887	1.1
97.06549	0.5
98.97595	1.3
99.04475	1.9
105.03382	0.8
105.07053	0.6
107.04957	10.6
107.08593	1.6
109.02848	0.6
109.06519	0.6
109.10100	0.6
111.04442	1.5
113.05968	0.5
116.98638	0.6
119.04948	100.0
119.08572	1.1
120.05752	8.7
121.02882	2.1
121.06538	0.6
121.10145	1.1
123.04453	1.1
125.05991	0.8
125.09664	0.5
127.03920	1.9
128.06242	0.8
128.70322	0.3
129.07018	1.6
131.04935	0.6
131.08559	0.4
135.08060	0.6
137.06024	0.5
139.03961	0.4
139.07492	0.5
139.65163	0.3
141.05458	1.4
141.06924	0.4
144.05730	0.9
145.06509	0.7
148.97346	0.7
149.09607	1.3
150.05502	0.4
151.03900	0.8
151.07550	1.0
152.06198	5.3
153.05447	0.6
153.06935	0.6
153.09106	0.4
157.06500	2.6
157.10112	0.4
163.03793	0.4
165.06992	5.1
166.07799	1.9
167.07085	1.3
167.08569	8.1
167.10663	5.0
169.06459	0.7
170.07239	1.0
171.08066	0.9
176.06245	1.8
177.06987	5.7
177.09143	0.8
177.16364	1.0
178.07584	0.5
180.55151	0.6
181.06505	0.8
183.08134	0.5
185.05963	1.1
185.09645	1.5
189.55742	0.9
194.07314	0.6
195.06416	0.6
195.08055	7.7
195.10155	1.4
198.04475	0.4
198.06799	1.1
213.05597	1.3
213.09129	28.5
213.11107	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0912
Annotation	(9R,10R)-9,10-dihydrophenanthrene-9,10-diol
Peak:m/z	Relative Intensity
53.03934	1.8
55.01872	2.2
55.05502	4.0
56.96555	1.6
57.03431	2.0
58.06600	2.1
61.43592	1.3
67.05492	4.1
69.03410	3.8
69.07081	9.0
70.06590	2.0
70.24708	1.3
71.52309	2.0
78.76422	1.1
79.05493	4.8
81.07072	6.7
83.01353	4.2
83.04993	2.1
83.08598	2.6
88.07633	5.9
91.05479	4.1
93.07046	6.1
95.04987	1.2
95.08613	4.3
97.06536	2.1
101.02358	3.6
103.05466	7.8
107.04961	2.9
107.08584	4.7
109.38349	1.2
111.08080	3.2
111.11747	1.7
115.05443	4.4
117.03476	1.7
117.07040	2.1
118.49950	1.1
119.49900	1.2
121.06488	4.9
121.10166	5.4
125.06001	2.6
128.06219	4.2
129.03387	1.3
129.07016	21.3
131.04939	12.4
135.08055	1.6
135.11746	1.4
139.07550	4.3
139.11208	2.4
141.06970	7.3
141.46236	1.2
142.07796	13.0
143.04933	2.7
143.08569	3.7
144.05682	4.6
145.06503	13.7
149.13252	3.0
152.06239	9.2
153.06964	2.3
153.09134	2.0
154.04112	1.5
154.07762	2.7
155.04945	1.7
157.06473	13.3
157.10133	15.6
165.07027	4.8
166.07686	2.0
167.07092	3.3
167.08568	14.5
167.10649	1.7
167.14388	1.7
169.06471	5.9
169.10129	2.3
170.03650	21.9
170.05908	1.6
170.07286	19.3
171.04387	2.8
171.08057	12.5
177.12717	1.4
183.08044	3.3
184.08878	1.2
185.05939	5.9
185.09630	63.8
189.55940	1.9
195.06519	1.8
195.08060	20.9
195.13786	10.2
195.19760	1.5
197.05972	4.9
198.06796	26.6
211.07571	1.2
213.05496	75.0
213.09106	100.0
213.12679	10.2
213.14809	5.6
213.16591	1.8
214.05820	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	213.076
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
50.93588	0.7
51.02405	0.8
53.03946	3.3
53.05255	0.7
55.01873	2.0
55.05503	1.5
55.17283	0.6
56.22204	0.7
56.96569	3.2
61.02938	10.5
65.03947	6.8
67.05509	2.7
69.03425	1.8
69.07070	1.8
70.06595	6.1
70.69274	1.5
70.69683	1.5
72.08160	6.8
73.02923	1.0
77.03937	0.9
79.05502	18.7
81.07059	2.4
83.08620	0.9
84.08151	2.8
85.02896	1.7
86.09721	10.0
87.46832	0.7
88.07639	0.9
88.19777	0.8
89.03924	1.0
91.05479	6.6
93.03418	9.9
93.07053	2.1
95.04980	3.3
95.08620	1.3
97.02869	1.5
97.06515	1.2
98.97608	4.2
105.03406	0.7
105.04534	1.0
107.04968	26.1
107.08613	2.3
108.02128	1.6
109.02894	1.5
109.06518	1.7
110.03679	22.3
110.07157	1.2
111.04453	10.2
116.98647	1.3
117.03392	1.6
119.04976	3.1
121.06517	11.6
122.03687	5.9
123.04406	1.0
124.05212	0.9
125.06005	67.1
127.03934	1.2
128.98599	1.0
129.07059	0.8
130.96309	1.8
133.02876	10.3
134.03673	0.9
135.04433	25.3
135.05438	1.5
135.08012	0.7
137.06004	5.4
141.05490	5.6
142.05881	1.9
148.97391	2.0
149.06004	25.6
149.09669	1.2
150.02026	1.3
150.03137	11.3
150.06386	0.8
151.03932	100.0
151.05052	11.8
152.04373	0.7
153.05484	15.6
162.03134	2.0
163.03951	7.3
165.05493	42.7
167.07062	18.9
167.08466	0.6
167.10730	0.8
170.11801	1.4
177.05504	23.4
177.07050	1.1
181.05051	0.9
183.06352	0.8
185.16505	1.4
189.97731	1.3
192.53406	1.1
195.04918	1.0
195.06552	20.2
195.08241	1.6
196.59035	0.8
201.53871	0.8
207.98807	0.9
213.05486	1.4
213.07622	12.2
213.09206	1.6
213.12418	2.3
213.16179	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.076
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03952	2.8
55.01871	1.8
55.05512	2.2
56.96576	5.3
57.03447	1.4
57.07076	1.7
61.02932	10.3
65.03947	6.5
67.05515	6.4
67.12943	0.9
68.99786	1.3
69.03423	3.1
69.07054	2.4
69.94602	5.4
70.06596	16.6
70.94280	1.5
71.05025	1.3
72.08165	16.8
77.03928	1.6
79.05504	18.7
81.03416	3.8
81.07042	5.2
83.08622	1.4
84.04514	1.3
84.08161	3.1
85.02921	3.3
85.08511	1.1
86.09715	14.2
88.07635	2.8
88.95318	1.2
89.03909	1.4
91.05487	14.6
93.03414	8.0
93.07048	3.7
94.04187	1.2
95.04965	5.6
95.08614	4.2
97.02905	3.0
97.06566	1.8
98.97580	4.7
99.04441	1.8
100.02214	2.4
105.03378	2.2
105.04540	1.2
105.07023	2.0
107.04969	28.1
107.08604	2.3
108.02105	1.8
109.02900	3.3
109.06519	3.5
109.10144	1.8
110.03678	21.1
110.07178	3.7
111.04456	10.8
111.08076	1.2
116.07085	1.9
116.98657	3.8
117.03457	1.4
119.04968	9.6
120.05727	1.2
121.06509	12.4
121.10126	2.3
122.03691	5.1
123.04437	2.3
125.06005	67.1
125.09631	1.7
127.03905	6.4
128.98634	2.1
130.96309	5.8
131.08569	1.1
133.02876	9.5
134.99626	1.5
135.04427	24.8
137.05960	5.6
140.04753	1.6
141.05476	11.7
142.05812	4.9
147.04410	1.3
148.97382	7.0
149.06000	24.3
149.07043	1.2
149.09639	2.0
150.03110	11.8
151.03928	100.0
151.05043	10.9
153.05504	18.1
157.06470	1.6
158.99815	1.2
161.01216	1.5
163.03915	7.9
165.05505	37.4
166.06226	1.4
167.05376	3.7
167.07068	20.0
167.08495	1.2
167.10756	1.5
170.11754	2.3
177.05490	23.3
177.09012	1.5
177.16444	1.7
181.05080	1.8
189.00639	1.1
189.97701	2.7
194.02548	1.0
195.04836	4.9
195.06560	20.4
195.08202	1.3
195.10255	2.2
196.16867	1.2
207.98686	1.8
213.05550	2.6
213.07588	12.3
213.09221	3.6
213.12447	3.1
213.16428	2.2
214.10844	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.076
Annotation	Gelsemide
Peak:m/z	Relative Intensity
51.10655	0.7
53.03926	2.4
54.12562	0.7
55.01857	1.7
55.05499	2.3
57.03418	0.8
57.07053	0.8
65.03937	1.6
67.05512	4.1
68.99790	7.6
69.07058	2.7
70.06589	1.2
71.04989	1.3
71.08578	0.9
71.32407	0.8
72.08134	0.7
79.05070	1.0
79.05502	13.3
81.03419	2.0
81.07054	3.3
82.04179	0.9
83.08604	2.1
85.02892	1.0
85.06521	1.0
88.07621	2.5
91.05471	2.4
93.03412	5.3
93.07075	3.5
95.04977	5.5
95.08591	2.6
96.05753	1.9
97.06525	1.4
99.04440	1.4
105.04523	0.7
106.04156	2.1
107.04311	1.2
107.04967	16.0
107.08582	3.1
109.02888	1.5
109.10120	2.0
111.04445	2.3
114.14449	0.8
117.06999	1.1
119.08595	1.4
121.02891	3.4
121.10150	1.8
123.04389	2.6
124.05188	1.8
125.05997	2.0
127.03873	2.4
128.06183	0.8
129.07021	2.1
134.03665	4.8
135.04425	17.8
135.08015	1.0
135.11642	1.8
137.02336	2.1
137.09581	1.0
139.03893	1.2
142.07726	2.0
143.08528	1.5
149.05974	1.6
149.09636	0.8
149.13263	2.1
151.03877	1.8
152.04704	10.0
153.05455	3.9
155.03380	5.7
155.04692	1.1
156.04179	1.2
157.10081	1.9
159.11629	1.0
162.03175	0.8
163.03922	38.1
164.04596	1.0
164.56822	0.9
165.01848	4.1
167.07095	5.1
167.08368	1.3
168.04147	0.8
169.06520	1.1
171.06508	3.8
171.11649	1.0
177.12665	1.4
179.03398	2.0
180.04193	30.3
182.07306	1.2
183.02911	29.4
183.04498	1.9
183.06535	1.2
183.07983	1.3
185.05847	1.7
185.09596	1.7
194.01555	0.8
195.06548	90.8
195.13873	2.0
198.05234	15.4
198.06903	1.7
213.07544	100.0
213.09172	8.7
213.12671	2.4
213.16400	3.3
214.07928	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.066
Annotation	2-Aminophenoxazin-3-one
Peak:m/z	Relative Intensity
55.05503	0.7
57.03450	0.4
57.07072	0.3
58.06602	0.4
65.03936	0.3
67.05495	0.6
69.03414	0.4
69.07067	0.3
70.06583	0.5
71.04968	0.4
71.53178	0.4
73.75590	0.2
76.66734	0.3
81.03421	0.5
81.07045	0.6
88.07652	1.4
91.05486	0.5
93.07044	0.8
95.04948	0.3
95.08598	0.5
97.06490	0.4
97.10207	0.3
105.07043	0.5
107.04940	0.5
107.08600	0.7
107.24709	0.3
109.02950	0.3
109.06501	0.3
111.04414	0.4
121.06500	0.4
121.10123	0.5
125.05930	0.3
125.09628	0.3
127.03905	0.8
129.07028	0.4
130.06509	0.9
135.08081	0.5
135.11687	0.3
142.07794	0.6
143.08559	0.5
144.04434	0.9
149.13222	0.3
153.07016	0.3
153.09050	0.3
156.09332	0.3
157.07649	0.3
157.10138	0.9
158.06024	2.3
167.07188	0.5
167.08600	0.4
167.10692	0.5
169.07619	0.3
171.04420	0.4
171.11661	0.4
181.04941	0.4
185.07117	35.2
186.03917	0.6
186.05527	6.4
186.07236	0.4
195.06575	0.7
198.06769	0.3
198.69838	0.3
213.06604	100.0
213.16159	1.5
214.06937	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41499	8.1
65.08774	9.5
69.73371	18.8
69.73779	27.7
69.96856	7.5
82.08985	8.2
83.50680	7.8
92.68031	8.4
98.21587	12.5
104.53396	8.2
106.82388	8.2
112.09181	7.5
112.89568	10.0
123.19839	8.6
132.95990	8.8
146.39676	8.6
196.04817	73.7
212.85268	100.0
213.07552	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	212.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.2
53.99258	0.2
55.01865	0.3
56.27933	0.2
56.96570	0.9
57.03439	1.3
61.02929	0.7
69.03447	1.0
69.45867	1.4
70.06596	2.6
71.01375	0.2
73.02919	1.6
73.69359	0.2
76.43994	0.2
81.03441	0.5
81.45786	0.2
82.06579	1.1
84.08150	100.0
84.96043	0.4
85.02908	2.3
85.08519	0.5
86.03252	0.2
87.04496	0.2
89.63398	0.2
95.00779	0.3
96.01591	0.2
97.02898	1.5
97.06505	0.3
97.07722	0.2
98.21461	0.4
98.97591	4.6
98.98211	0.3
99.04514	0.3
99.08102	0.3
101.00826	0.7
103.85024	0.2
104.01336	0.2
104.60583	0.2
104.98320	0.2
109.02926	0.3
110.01280	0.7
110.97570	2.6
111.03072	0.2
112.07613	0.6
116.01330	0.2
116.07080	0.5
116.98672	0.9
119.01822	1.0
123.02002	0.2
125.01817	0.3
126.62720	0.2
127.03910	0.9
128.02327	0.4
128.98628	1.7
131.00186	0.2
131.01830	0.4
132.64336	0.2
137.01828	0.4
140.02277	0.5
140.98587	0.5
143.00194	0.3
143.01895	0.5
145.04971	0.3
145.62723	0.2
146.02335	0.8
146.99664	0.4
149.02870	0.3
152.02310	0.7
155.02884	0.6
158.99707	0.7
161.01669	0.2
161.02853	1.2
170.99651	1.6
173.02910	0.3
177.00731	0.5
182.03383	0.5
182.99683	0.4
188.07567	0.3
189.00737	1.3
191.03917	0.9
200.04411	0.4
201.00745	0.5
212.07695	20.7
212.12885	0.7
213.07843	0.2
213.12402	0.5
219.01801	0.6
230.08757	20.6
231.08868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.05513	4.8
56.96559	1.3
57.07080	22.5
58.06599	1.1
64.15437	0.4
67.05500	1.3
69.03422	1.4
69.07072	29.0
69.54973	0.4
69.93086	0.4
70.06583	0.7
70.16992	1.6
71.08652	2.1
72.80857	0.4
74.09714	1.0
79.05470	0.8
81.07049	1.7
82.06594	0.5
82.07383	1.0
83.08625	3.3
86.06063	3.4
89.25327	0.4
91.05480	0.5
93.07039	1.3
95.04964	0.5
97.02908	0.5
97.10176	0.5
97.99235	0.5
98.21358	0.9
100.07626	2.1
107.08576	0.9
107.74425	0.4
109.84418	0.4
111.11732	4.0
111.56812	0.4
114.09190	0.5
119.06078	0.6
120.08121	0.4
124.12032	1.0
132.10907	0.4
138.12770	0.5
139.11185	6.6
142.01758	0.4
156.13849	16.2
166.08640	1.5
184.20619	0.5
194.08197	0.8
212.09140	0.7
212.20103	100.0
213.20589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53814	1.7
57.21482	1.2
62.48404	1.4
66.18204	1.4
69.79512	7.5
70.49097	1.2
80.99751	1.3
84.08154	59.2
91.64831	1.3
143.24318	1.4
152.01103	100.0
194.03285	13.2
212.04330	5.9
212.07695	14.2
230.08748	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	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84089	0.5
53.03954	0.8
55.01868	0.8
55.05261	0.9
55.05509	8.3
56.05853	2.9
56.96568	0.7
57.03441	6.2
57.07083	1.3
65.03947	0.6
67.05510	5.4
69.07073	5.0
69.18957	4.4
69.19360	1.2
70.06577	0.7
71.04994	3.7
71.47162	0.6
72.08166	5.4
73.08475	0.8
76.34811	0.6
79.05499	4.8
80.63141	0.6
81.03423	1.6
81.07062	15.7
82.06596	0.6
83.04984	2.5
83.08624	3.0
84.08120	0.7
84.08931	1.5
85.06529	1.7
91.05485	6.5
91.85920	0.6
93.07053	14.3
95.04975	3.0
95.08612	24.1
97.06536	2.4
98.20789	1.3
99.08103	5.4
100.07658	1.0
100.11239	1.7
101.07976	0.9
101.11611	1.2
103.05473	0.6
105.07043	12.6
107.04942	0.7
107.08598	17.9
107.09313	1.2
109.06524	2.5
109.10165	7.9
111.04459	2.2
111.08078	1.3
112.04783	1.4
113.07935	0.7
113.09663	4.2
117.06988	1.0
119.08587	57.3
121.10149	3.4
123.08088	4.0
123.11702	5.6
125.09641	2.8
127.09484	0.8
129.07430	1.2
131.08575	2.0
133.10138	100.0
134.10507	0.9
135.11700	33.3
137.05981	0.8
137.09641	4.6
139.11150	1.0
145.10091	0.7
147.11703	5.6
149.09589	1.5
151.03804	0.6
155.10670	0.8
160.12480	0.8
165.05495	1.9
165.12749	0.9
165.14745	0.6
167.07031	2.6
167.10706	4.2
168.05727	1.2
175.14836	77.8
182.15431	0.9
183.06557	2.2
183.15778	10.7
193.12280	1.6
193.14211	1.3
193.15872	9.0
196.05243	0.7
198.91618	0.5
211.05853	0.8
211.07692	3.1
211.11375	0.7
211.13252	1.0
211.15181	5.6
211.16994	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	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03954	3.9
55.01865	4.3
55.05520	26.7
55.10612	1.2
56.96577	7.5
57.03442	64.9
57.07084	9.2
57.45045	1.2
59.04991	4.7
61.28621	1.3
63.42209	1.3
64.33496	1.2
65.03967	2.4
67.05512	45.9
69.03433	12.8
69.07075	33.7
70.06593	1.6
71.05003	31.4
71.08631	1.5
71.52380	2.0
72.08163	15.4
79.05500	24.5
81.03430	14.3
81.07063	60.0
83.04988	21.5
83.08627	17.6
84.96040	1.3
85.02912	3.2
85.06545	7.6
91.05488	26.8
93.07053	51.6
95.04980	26.6
95.06087	1.8
95.08617	81.9
96.06409	1.5
97.02880	2.4
97.06548	20.4
97.10175	8.1
97.10707	1.2
97.99207	3.1
99.04467	37.4
99.08099	11.8
105.03409	1.7
105.04540	1.8
105.07040	40.8
107.04967	3.1
107.07879	3.2
107.08607	65.4
109.02966	1.3
109.06525	17.6
109.10168	99.0
111.04457	1.7
111.08096	16.4
113.05978	1.5
113.09676	10.3
115.07554	3.0
117.07033	4.7
119.04971	2.4
119.08595	96.6
121.06525	3.5
121.10151	35.4
123.04446	4.0
123.08074	48.9
123.11723	24.4
125.09647	27.8
127.07544	1.4
129.06987	3.2
131.08592	6.9
133.06537	2.7
133.10144	92.8
135.08109	2.9
135.11703	78.4
137.05969	8.7
137.09630	34.2
137.10400	0.9
137.13232	3.0
139.11191	19.1
141.09113	1.5
142.07773	2.4
143.08495	1.6
145.10136	2.1
147.08084	3.2
147.11699	25.3
149.06058	1.8
149.09639	17.1
149.13277	8.4
151.03932	4.2
151.07571	3.9
151.11203	7.9
151.14821	13.7
153.12772	4.4
155.08559	3.2
155.10709	1.4
157.10165	3.9
163.11154	1.6
165.09209	1.6
165.12804	9.2
165.16414	3.3
167.07062	18.0
167.10693	56.0
167.12120	3.0
168.05719	1.6
169.10120	1.9
169.12279	4.7
175.11269	12.6
175.14844	100.0
181.08621	1.7
181.10057	3.1
183.06555	2.3
183.08054	1.6
193.08778	2.9
193.12265	15.7
193.15891	32.8
194.16115	1.1
196.05331	1.6
196.12531	1.8
211.05861	1.7
211.07848	8.1
211.09612	3.3
211.11195	5.0
211.13020	13.0
211.14931	6.7
211.16824	20.2
212.16551	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38281	0.8
53.03942	1.1
55.05505	3.8
57.03428	1.9
57.07069	2.0
67.05515	4.7
69.07082	5.0
69.35165	5.4
70.75957	0.8
71.04978	3.3
72.08157	4.6
79.05490	4.8
80.90976	0.8
81.03427	4.4
81.07063	15.7
83.04986	3.3
83.08619	2.7
89.77555	0.7
91.05480	7.2
93.07058	11.8
95.04965	2.8
95.08614	23.8
96.06400	1.0
97.06512	2.2
97.23080	0.8
99.08103	6.1
104.08859	0.9
105.07041	15.0
107.08604	17.5
108.73113	0.8
109.06494	1.9
109.10181	6.8
111.08102	1.6
113.09639	4.4
117.07013	0.9
119.08594	59.1
121.06549	0.9
121.10152	2.3
123.08032	1.4
123.11709	5.4
125.09603	1.1
131.08549	2.0
133.10143	100.0
135.11702	28.3
137.09621	3.4
145.10081	1.1
147.11702	4.7
151.14838	1.1
151.80463	0.9
156.79488	0.9
157.10110	0.9
158.76801	0.8
167.10767	0.8
175.14839	80.8
183.54729	0.7
190.67972	1.0
193.12279	4.2
193.15913	7.4
197.70294	0.8
211.07686	0.9
211.13304	1.9
211.16782	4.0
211.70201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83282	0.8
53.03959	0.9
53.83900	0.8
54.95863	0.8
55.05507	4.6
56.96571	1.1
57.07064	1.9
64.73779	0.8
67.05506	6.5
68.05825	1.5
69.07073	5.5
70.06586	1.6
70.82191	2.0
70.89753	0.9
71.04992	4.9
72.08150	2.9
75.55147	0.7
79.05483	4.2
81.03419	1.4
81.07063	16.5
82.25186	0.7
83.04974	1.4
83.08611	1.9
91.05491	6.7
93.06570	1.0
93.07057	12.9
95.04952	4.3
95.08620	28.5
96.05289	2.9
97.06534	3.4
99.04467	1.3
99.08078	6.4
105.07037	18.3
107.08598	18.8
109.06544	1.3
109.10154	6.3
113.09660	6.7
115.07555	2.6
119.08595	65.7
121.10147	3.7
123.08070	1.9
123.11733	9.8
131.08615	2.0
133.10146	100.0
135.11700	34.7
135.12727	2.1
137.09615	3.3
141.09113	1.1
147.11690	6.8
149.13249	1.0
150.84079	0.8
151.03970	1.3
167.07187	1.0
175.14842	98.0
176.15125	0.9
183.91843	0.8
184.96118	0.8
188.54906	1.7
193.15915	8.9
196.07362	0.9
211.07639	1.7
211.11594	5.5
211.16913	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	211.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.7
55.01883	1.4
55.05521	6.7
55.53644	1.0
56.96571	2.5
57.03431	2.6
57.07076	2.9
58.06612	13.4
60.08160	2.5
67.05514	11.5
69.03429	3.4
69.07072	11.2
70.06583	3.3
70.12645	3.9
71.04996	8.1
72.08159	2.7
79.05501	9.1
81.03419	3.7
81.07066	26.1
83.05001	5.9
83.08619	4.5
84.08123	1.3
84.96004	1.3
85.02891	3.3
85.06539	2.8
91.05478	12.8
92.23665	1.2
92.38997	1.0
93.07050	19.4
95.04987	6.2
95.08617	29.7
97.06531	3.9
97.99196	1.9
98.21561	1.1
99.04444	2.5
99.08105	7.8
103.05490	2.0
105.06400	1.7
105.07049	24.4
107.04969	1.6
107.08614	21.4
109.06547	5.5
109.10168	16.8
111.08077	4.6
113.06026	0.9
113.09663	5.7
116.07114	2.4
117.07055	1.6
119.04967	1.5
119.08599	59.6
121.06499	2.6
121.10160	5.6
123.04425	4.1
123.08076	4.5
123.11700	8.2
129.07022	1.8
131.08578	2.9
133.02826	1.6
133.06506	1.8
133.10147	100.0
134.28404	1.0
135.11707	33.5
137.06009	7.3
137.09624	6.5
139.07549	1.3
147.04466	2.1
147.08083	1.1
147.11687	9.3
149.05991	2.0
149.09575	1.1
149.13246	2.6
151.03918	6.0
151.07571	1.9
151.11194	4.1
153.07025	1.5
155.07063	2.3
155.08517	1.5
155.10745	1.6
157.10132	1.4
158.05905	1.0
159.06812	2.4
165.05496	3.4
165.12755	2.0
167.07101	12.4
168.09253	1.1
169.79947	1.0
175.11226	2.4
175.14847	75.5
179.07033	2.5
183.08072	1.5
183.11682	1.3
193.05009	12.9
193.08649	2.7
193.10397	1.4
193.12184	6.3
193.15883	9.9
196.08871	1.6
211.05872	6.9
211.07634	3.2
211.09479	2.4
211.11229	5.3
211.13277	3.8
211.15044	1.6
211.16895	7.6
212.12958	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	211.1694
Annotation	beta-Isocyclolavandulyl propionate
Peak:m/z	Relative Intensity
53.03956	0.4
55.01863	0.5
55.05519	2.7
55.05744	0.6
56.96570	6.1
57.07075	2.7
58.06597	1.4
65.03936	0.8
67.05509	16.3
69.07077	1.6
69.84966	1.7
70.06565	0.4
71.05004	6.3
72.08134	0.4
79.05489	6.6
81.07060	100.0
83.04915	0.5
83.08622	0.8
84.96046	1.3
85.06528	0.4
89.06050	1.0
91.05496	2.4
93.07053	1.1
95.04996	0.5
95.08605	5.3
97.06525	0.5
97.99202	2.1
98.20762	0.6
98.98441	0.4
102.97014	0.4
105.03372	0.6
105.07029	1.2
107.04956	1.0
109.06516	1.5
109.10146	0.6
116.00233	1.2
119.04961	2.9
119.08559	0.6
121.06475	1.0
121.10150	0.4
123.08096	1.0
123.11713	68.2
124.12031	0.4
133.06537	0.5
133.10101	0.5
147.04454	0.6
149.05978	1.1
151.03891	0.8
151.07564	1.5
167.07053	1.0
211.09468	0.6
211.11165	1.0
211.13318	0.9
211.16937	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	211.1695
Annotation	beta-Isocyclolavandulyl propionate
Peak:m/z	Relative Intensity
53.03949	0.8
55.01884	0.4
55.05512	2.3
56.96295	0.5
56.96571	7.8
57.07085	2.4
58.06606	2.2
60.08167	0.6
65.03941	0.5
67.05512	15.4
69.07074	1.6
70.06613	0.5
70.17179	1.4
71.05000	7.0
79.05502	5.8
81.07065	100.0
82.07375	0.7
83.04980	0.6
84.96040	1.4
89.06058	0.8
90.35739	0.3
91.05495	1.1
93.07068	0.9
95.04976	0.5
95.08617	6.3
95.59692	0.3
97.99204	3.7
99.04566	0.3
101.51810	0.4
105.07026	0.6
106.72842	0.3
109.06519	0.7
109.10182	0.6
111.08058	0.4
116.00231	1.1
119.08602	0.6
121.10197	0.4
123.11719	74.1
124.12088	0.5
125.71358	0.3
128.28545	0.3
128.47392	0.3
133.10175	0.7
135.11691	0.5
143.99767	0.4
159.06844	0.5
165.07077	0.4
167.08580	0.5
211.07603	1.8
211.11325	0.4
211.13187	0.7
211.16943	16.1
224.14256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03950	3.7
54.49790	1.5
55.01864	6.3
55.05279	2.9
55.05518	43.2
57.03444	35.2
59.05003	1.8
65.03925	2.3
67.05512	31.4
69.03430	11.0
69.07086	14.4
71.05016	7.4
71.37885	2.9
72.08140	2.0
73.78237	1.5
79.05078	2.3
79.05502	35.3
81.03426	100.0
81.06586	2.8
81.07067	45.8
83.04990	52.1
83.08152	2.6
83.08630	39.5
85.06547	2.8
91.05487	45.0
91.49858	1.4
93.07050	26.6
95.04973	39.3
95.08613	18.3
97.02895	5.4
97.06530	11.7
97.10153	7.8
99.04482	1.4
99.08095	2.2
105.07044	30.4
107.04984	8.2
107.08595	13.5
109.06534	9.7
109.10187	7.3
111.04422	3.6
111.07490	1.7
111.08105	17.4
117.06949	2.1
119.08595	29.8
121.06511	2.4
121.10152	12.9
123.08080	13.6
123.11708	2.2
125.09632	9.8
129.07024	12.3
129.16051	1.4
131.08580	15.9
133.06516	3.8
133.10153	15.7
135.11690	2.4
137.06026	2.3
137.09637	3.8
139.11179	6.6
142.07764	3.9
147.08067	4.7
147.11688	19.0
149.09641	15.2
157.10144	17.3
165.12773	5.0
167.07016	2.4
167.10692	20.2
175.11226	22.6
187.66081	1.7
193.10457	2.9
193.12259	60.0
211.07512	2.1
211.13275	30.6
211.15019	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	211.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01861	2.4
55.05509	9.6
56.96538	1.2
57.03428	1.9
57.07079	5.1
58.06595	2.1
67.05508	12.4
69.03421	2.0
69.07064	14.7
71.04998	10.5
71.53232	1.2
72.08132	1.5
79.05070	1.1
79.05495	14.5
81.03411	2.1
81.07059	20.9
83.04980	5.4
83.08607	1.9
85.02885	1.7
85.06551	5.7
91.05486	39.8
91.27089	0.8
93.07047	39.4
95.04374	1.7
95.04971	28.0
95.08616	9.9
97.06544	9.1
99.04432	2.3
99.08066	1.9
103.05499	0.9
105.07034	47.1
107.04931	2.6
107.08601	11.6
109.05811	1.4
109.06523	19.0
109.10156	8.1
111.08061	2.4
113.05990	1.9
117.07000	1.5
119.08580	17.6
121.06487	5.4
121.10145	3.5
123.04413	4.7
123.08060	4.3
123.11739	5.8
125.05968	3.0
125.09599	1.1
127.07516	1.5
131.08536	5.4
133.06435	2.4
133.10133	100.0
135.08078	1.7
135.11665	1.6
137.05992	13.1
137.09576	1.3
139.02745	0.9
139.07547	19.8
141.05487	4.6
147.04350	0.9
147.07961	1.3
147.11687	30.4
149.05904	1.1
149.09607	3.7
151.03873	2.3
151.07565	7.3
151.11188	41.8
155.07047	7.9
157.10104	2.0
165.12762	9.7
167.07080	8.1
169.12201	1.2
175.11195	9.6
175.14821	2.0
179.06952	2.1
193.04942	4.6
193.08562	1.3
193.12247	37.1
193.15871	1.3
211.05899	2.5
211.07658	1.5
211.13260	37.2
211.16566	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
53.03934	1.9
55.01854	2.6
55.05510	7.6
57.03437	1.3
57.07083	6.5
58.06581	1.2
65.03912	1.1
67.05503	16.1
69.03423	2.0
69.07071	14.2
70.68654	1.9
70.69028	2.1
71.04998	9.7
75.94587	0.8
77.03902	0.9
79.05494	15.5
81.03408	2.4
81.07058	26.8
83.04992	5.5
83.08626	1.4
85.02907	1.7
85.06548	7.5
88.20238	1.0
91.05482	39.2
93.07045	36.1
95.04372	2.0
95.04972	36.6
95.08606	9.7
97.06537	8.6
97.10191	0.9
99.04440	2.0
99.08085	1.3
99.53465	0.8
102.38247	0.8
105.04542	1.0
105.07033	48.7
107.04942	2.3
107.08599	11.0
109.06523	20.7
109.10159	9.2
111.08067	2.6
111.89510	0.8
113.06005	1.3
119.08569	16.0
121.06496	6.8
121.10124	6.0
123.04417	3.8
123.08060	5.7
123.11721	6.4
125.05982	3.8
127.07581	1.2
129.06958	1.3
131.08577	7.7
133.06493	3.5
133.10133	100.0
135.01306	1.0
135.08014	1.6
137.05981	9.5
139.07547	15.0
141.05473	6.5
144.80537	0.9
147.11694	30.2
149.05991	2.3
149.09628	2.7
151.07587	7.6
151.11185	49.8
155.07047	8.9
157.10121	1.8
165.12733	13.0
167.07082	6.6
175.11150	8.9
175.14864	1.1
193.05029	1.7
193.08577	1.1
193.10449	1.2
193.12257	31.3
211.13292	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	211.1331
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
55.01881	0.9
55.05511	4.6
57.03442	1.4
57.07086	4.3
58.06612	4.0
67.05510	10.8
69.03439	1.3
69.07075	20.9
71.05001	6.5
71.05350	0.8
72.08164	2.9
73.06615	0.7
79.05506	8.1
81.03434	0.9
81.07060	17.9
83.04986	5.1
83.08627	1.2
85.02936	0.7
85.06558	5.8
89.35102	0.6
91.05489	24.7
93.07056	22.5
93.07645	1.6
95.04974	10.6
95.08598	4.5
97.06537	1.9
99.04446	1.0
104.52844	0.8
105.04508	0.8
105.07041	24.2
107.04958	2.0
107.08614	10.4
109.06528	22.2
109.10171	6.6
111.08094	1.1
113.06010	2.7
117.03069	0.6
117.06996	1.1
119.04958	0.7
119.08599	6.6
121.06495	0.9
121.10122	3.7
123.04448	1.6
123.08067	1.5
123.11725	4.6
125.05997	1.4
125.09649	0.8
127.07536	2.0
129.07021	1.0
131.08572	8.2
133.10144	100.0
134.10448	0.7
135.08090	1.2
137.05984	10.2
137.09554	1.1
141.05470	0.8
143.07108	0.8
147.08093	0.8
147.11702	22.5
149.09654	2.6
151.03874	0.9
151.07635	3.5
151.11198	64.3
155.07054	17.6
157.10106	1.6
165.06978	0.7
165.09085	0.9
165.12749	4.6
167.07050	2.9
169.08627	1.9
169.12332	0.8
175.11197	12.6
193.04962	2.1
193.12259	28.8
202.13274	0.8
211.13300	25.4
211.16566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.02382	0.9
53.03943	2.4
55.01865	3.3
55.05513	11.2
56.96563	1.4
57.03428	3.0
57.07071	3.4
58.06607	1.7
59.05011	0.8
65.03945	1.6
67.05508	22.1
69.03442	5.4
69.06726	1.2
69.07075	16.0
69.40775	1.4
69.41176	5.2
69.83158	0.7
70.06590	2.5
71.05000	10.4
72.08160	40.7
73.02916	1.6
73.08502	1.9
77.79136	0.8
79.05498	13.9
81.03424	8.8
81.05389	0.7
81.07062	31.5
82.06583	0.9
82.07405	1.2
83.04979	8.0
83.08624	5.8
84.08137	3.2
85.06545	5.2
87.04472	1.5
91.05487	16.6
92.05783	0.9
93.07052	24.8
94.06586	4.1
95.04978	9.6
95.06114	1.9
95.08614	100.0
97.02898	2.7
97.06552	6.0
97.10182	1.9
99.04443	3.8
99.08114	5.5
100.07599	1.5
105.03391	1.0
105.07038	22.1
107.04967	2.4
107.08598	23.3
109.06519	13.7
109.10167	50.4
111.04441	2.0
111.08095	4.5
112.07613	0.8
112.11222	1.5
113.06007	3.1
113.09654	3.8
115.07573	1.5
117.07021	2.9
119.04964	2.9
119.06125	4.0
119.08591	49.6
121.06508	2.3
121.10154	10.6
123.04468	2.6
123.08094	4.3
123.11723	9.8
125.05989	0.9
125.09630	5.8
126.11002	1.2
127.07562	1.5
129.07047	2.2
131.08583	3.4
133.06483	2.1
133.10141	75.6
134.94551	0.8
135.08057	1.3
135.11699	32.3
137.00548	1.2
137.02356	0.9
137.05969	8.6
137.09633	6.6
137.13268	2.1
140.10687	0.9
142.07826	1.5
145.10149	1.1
147.04433	1.3
147.08055	2.1
147.11700	17.3
147.13315	2.0
148.41260	0.8
149.02359	1.7
149.05939	1.1
149.09648	1.9
149.13293	2.4
151.03906	1.3
151.07542	3.2
151.11209	2.4
151.14810	1.1
155.07112	1.8
155.08438	1.0
155.10664	1.0
157.10162	3.2
160.08768	0.9
160.49261	0.8
164.12686	1.6
165.00162	0.8
165.05539	1.5
165.06981	0.8
165.09218	0.9
165.12779	2.2
166.04959	0.9
166.15955	3.4
167.07072	10.8
167.10698	0.8
167.16269	21.3
168.13826	0.8
168.17520	1.0
173.13246	1.3
175.11229	9.4
175.14842	56.2
181.08456	0.7
187.10184	0.8
193.05170	1.0
193.08644	2.2
193.12254	13.5
193.15947	11.1
194.09746	0.7
195.09291	1.1
211.07655	2.3
211.09589	1.4
211.11400	1.6
211.13338	4.4
211.16824	5.9
211.18919	14.1
211.55804	0.8
212.11815	5.2
222.18617	1.4
234.18582	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
51.36391	0.1
52.29992	0.1
53.03943	0.2
54.54753	0.1
55.05277	0.1
55.05516	1.1
56.11115	0.1
56.96348	0.1
56.96572	1.5
57.03423	0.4
57.07078	0.8
58.06591	0.5
58.19325	0.1
59.04996	0.2
67.05513	1.8
69.03409	0.3
69.07072	2.1
70.09095	0.5
71.04998	1.0
71.08623	0.1
79.05498	1.5
81.07061	6.8
83.01329	1.1
83.04966	0.3
83.08614	0.5
84.96042	0.3
85.02895	0.4
85.06549	0.8
91.05465	0.5
93.07043	0.5
94.33385	0.1
95.04979	0.7
95.08614	3.0
97.06492	0.3
97.10159	0.2
97.99195	0.9
98.21038	0.2
99.08095	0.4
101.02387	0.4
103.23447	0.1
104.84047	0.1
105.07038	1.0
107.08554	0.3
108.05724	0.4
108.43110	0.1
109.06527	3.9
109.10146	1.1
111.04434	0.2
111.08118	0.1
113.06000	0.4
116.00213	0.2
119.04955	0.2
119.08580	0.5
121.10123	0.2
123.04466	0.2
123.08068	1.7
123.11713	0.3
125.05990	0.5
126.06779	3.0
127.07526	0.5
133.10147	0.3
137.05977	0.9
137.13283	1.4
141.05537	0.2
143.99799	0.1
147.11671	0.4
151.07597	0.2
154.06252	3.7
155.07066	0.2
167.07048	0.3
169.08562	0.2
175.14883	0.3
178.94969	0.1
181.08725	0.2
183.13802	0.5
193.15862	0.2
211.13298	100.0
212.13724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0967
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
53.03935	0.8
55.01874	2.9
57.03406	1.1
58.06581	0.8
61.02882	0.5
65.03918	0.5
67.01829	1.4
67.05477	0.9
68.99763	1.9
69.03382	0.7
70.57497	1.2
71.04994	0.5
74.59650	0.4
78.55587	0.4
78.60252	0.4
79.05479	2.6
81.03422	2.1
81.07027	0.6
83.04953	1.4
83.46403	0.4
85.02913	11.6
91.05486	23.8
93.07005	1.9
95.04954	2.5
95.08576	0.7
103.05441	1.4
105.03397	2.2
105.07040	22.1
107.04954	2.1
109.02877	5.3
109.06495	1.2
109.10170	0.5
115.05424	1.6
117.07026	3.4
119.04950	3.1
119.08588	28.8
121.02834	0.7
121.06528	0.5
123.04440	8.7
123.08044	1.5
125.05988	0.5
127.03936	2.2
128.06233	2.1
129.07013	35.5
131.08557	1.0
132.05685	1.0
133.02809	1.1
133.06499	49.6
134.07295	0.6
137.05980	3.5
141.05418	0.4
147.04413	9.0
147.08052	45.8
149.05992	0.9
149.09639	1.0
151.03911	24.6
151.07555	3.8
157.06490	0.8
165.05493	9.8
165.09114	9.8
167.07025	0.7
169.04984	2.7
175.03951	5.0
175.07550	6.8
179.02834	0.7
193.04982	60.9
193.08614	100.0
194.08922	0.8
211.06042	32.2
211.09639	23.3
211.11569	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0967
Annotation	Anserinone B
Peak:m/z	Relative Intensity
55.05517	2.9
56.96580	1.3
57.03442	100.0
57.07093	0.8
58.06608	6.2
60.08176	1.2
60.72694	0.7
67.05506	3.4
68.99799	0.9
69.03432	1.4
69.07085	3.1
69.58790	2.9
69.59212	1.4
70.06599	1.5
71.05003	1.8
72.08161	2.3
79.05508	2.5
81.03413	2.0
81.07063	5.0
83.05015	1.9
83.08650	0.8
85.02924	2.1
85.06561	2.0
90.90073	0.6
91.05486	4.5
93.07047	3.4
95.04977	4.2
95.08633	4.4
97.06549	1.2
97.99198	1.0
99.04476	0.8
103.05493	0.8
105.07063	4.0
107.04988	1.3
107.08618	2.9
109.03700	0.7
109.06541	3.2
109.10178	4.0
111.08117	0.9
113.97889	0.7
115.43554	0.7
116.07103	1.6
119.08611	3.3
121.06520	0.6
121.10193	2.8
123.04440	2.1
123.08119	1.2
123.11768	2.3
129.07077	1.1
131.08549	0.7
133.10152	5.3
135.11745	2.2
137.06013	2.6
137.09584	1.5
140.04713	2.3
147.08049	1.4
147.11729	3.3
151.03905	3.4
151.07607	1.6
151.11194	5.1
155.01556	0.8
155.07089	3.3
155.08609	1.0
155.10663	1.1
159.06841	1.3
165.05482	1.1
165.09180	1.4
165.12766	1.0
167.07071	8.0
169.08855	0.8
169.10196	0.8
175.11212	1.3
175.14917	1.2
181.08591	0.9
183.08185	0.8
190.04823	0.9
193.04955	6.0
193.08664	1.3
193.10651	0.7
193.12328	2.5
193.15935	1.2
196.08882	0.9
211.06029	2.2
211.09779	10.8
211.11499	1.6
211.13313	2.2
212.12924	2.4
229.99411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03930	4.3
55.01878	9.2
55.05498	3.8
56.96571	32.0
57.03435	1.7
57.07055	2.1
58.06602	9.7
63.34149	1.2
65.03928	3.9
67.05509	8.4
69.03422	1.2
69.07063	2.8
70.06587	1.5
71.04990	3.1
71.06662	1.8
71.06996	1.5
72.08137	2.1
72.90208	1.2
76.71325	1.1
78.04723	1.6
79.05501	14.4
81.03404	3.1
81.07058	9.7
83.04983	2.3
84.96034	6.0
85.02892	2.2
85.06524	2.4
90.90375	1.1
91.05488	87.8
93.07039	10.1
94.04163	1.6
95.04974	9.5
95.08610	6.7
97.06522	1.2
97.98604	1.5
97.99191	15.6
99.04445	1.3
103.05470	13.3
105.03399	13.1
105.04475	1.5
105.07045	21.7
107.04964	34.9
107.08563	2.0
108.05718	3.3
109.05826	1.3
109.06532	26.5
109.10152	3.4
115.05414	2.2
116.00216	5.3
118.04180	6.1
119.04955	100.0
119.08575	2.9
121.06520	30.1
123.04418	6.6
123.08082	12.9
124.05210	3.4
125.09667	1.6
125.98612	1.4
127.04022	1.2
131.04933	2.1
133.02815	1.1
133.06503	15.9
133.10133	1.6
134.03644	13.1
135.08046	3.3
135.11717	1.8
136.05196	2.5
137.06004	8.9
140.04648	1.8
147.04410	18.4
147.11723	2.6
149.05997	44.2
151.03934	2.8
151.07565	54.8
155.08540	1.7
159.06775	1.3
161.06000	10.1
163.97794	2.0
165.05475	3.7
165.06941	2.0
165.12756	1.1
166.06224	3.2
167.07059	58.5
167.08398	2.3
168.05820	1.8
179.07054	22.4
180.07932	1.1
181.08615	16.9
183.08040	2.5
193.08569	2.6
193.12257	1.6
211.07571	8.3
211.09642	31.6
211.13277	80.6
211.16574	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0967
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
52.65170	0.9
53.03934	3.6
55.01877	6.8
55.05494	3.0
56.96568	27.7
57.03431	1.5
57.07064	1.6
57.39780	1.0
58.06591	6.3
60.08166	1.2
61.13455	0.8
65.03924	4.0
65.73462	1.0
67.05516	8.6
69.07084	4.5
71.05000	1.3
71.16279	1.4
72.08143	2.1
77.03918	1.1
78.04713	2.2
78.19894	0.8
79.05499	14.3
81.03410	2.1
81.07066	11.0
83.04994	2.3
83.08618	3.1
84.90116	0.9
84.96039	7.1
85.02885	2.0
85.06519	2.0
91.05486	79.2
93.07043	8.4
94.04177	1.3
95.04983	7.7
95.08613	6.2
97.06526	1.7
97.10175	0.9
97.99187	12.8
102.97053	1.0
103.05457	9.6
105.03397	15.6
105.04485	2.1
105.07036	19.4
107.04957	31.3
107.08594	1.7
108.05730	3.4
109.02885	1.0
109.06525	24.0
109.10160	4.8
111.08083	1.1
115.05453	2.0
116.00194	5.3
118.04128	4.0
119.04950	100.0
119.08556	3.9
121.05669	1.9
121.06509	26.4
122.07279	1.5
123.04454	6.9
123.08087	12.0
123.11704	1.7
124.05214	1.8
125.05963	0.8
125.98608	1.0
126.06769	1.0
127.07500	1.6
131.04922	1.7
133.06480	12.4
133.10129	2.6
134.03630	12.7
135.04440	1.3
135.08029	2.3
135.11659	2.0
136.05203	1.3
137.05977	8.7
137.13219	1.0
139.01768	1.0
147.04430	15.7
147.11652	1.7
149.05984	31.3
151.03925	1.8
151.07552	45.4
151.11339	1.1
152.04695	1.6
154.06210	1.8
161.05975	9.1
164.97012	1.6
165.05484	2.2
165.09073	1.2
166.06361	2.3
167.07050	37.1
168.07352	1.8
169.07576	1.8
175.14812	3.1
179.07056	19.3
181.08609	7.9
193.07419	1.4
193.12173	2.9
193.15909	1.8
199.14864	1.1
211.09566	22.9
211.13260	47.3
211.15266	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03931	2.0
55.01881	3.9
55.05518	6.4
56.96306	1.2
56.96568	20.8
57.03424	1.7
57.07055	1.8
58.06601	7.1
59.04992	1.0
60.08148	0.8
65.03925	2.1
67.05509	9.7
69.03422	1.6
69.07075	5.8
70.06577	1.0
71.04976	3.1
71.53539	1.0
72.08150	1.6
74.97626	1.2
78.04701	2.6
79.05498	9.6
81.03431	3.9
81.07063	9.7
83.01336	2.5
83.04970	3.1
83.08608	4.1
84.96016	3.1
85.02884	1.3
85.06531	2.9
91.04903	1.7
91.05485	35.9
93.07045	10.7
95.04973	9.5
95.08605	12.7
96.76145	0.7
97.06530	2.5
97.10197	0.8
97.99196	6.5
99.04446	2.1
99.08072	1.1
101.02396	1.1
103.05486	7.5
105.03403	5.2
105.04488	1.6
105.06405	0.9
105.07038	11.2
106.04140	1.2
107.04956	12.4
107.08624	3.4
108.05744	1.7
109.06524	9.5
109.10173	5.8
109.10907	0.8
111.08064	2.0
113.05989	0.8
115.05455	0.8
116.00217	3.7
118.04140	1.3
119.04954	34.7
119.08575	3.4
121.05656	1.2
121.06516	17.6
121.10109	2.1
123.04440	6.7
123.08067	4.6
123.11653	1.0
124.05192	2.4
124.45444	0.7
125.06012	1.3
127.03928	1.2
129.06940	1.0
131.04958	0.9
133.06505	7.2
133.10149	3.5
133.63844	0.7
134.03661	4.8
135.04395	1.0
135.08032	1.1
135.11688	1.1
137.06004	7.5
137.09622	1.5
139.01828	0.9
140.04691	4.0
141.05519	0.9
143.99649	1.2
147.04424	6.1
147.08089	0.8
147.11674	2.7
149.05997	25.2
151.03918	2.2
151.07562	16.2
151.14922	0.9
152.04803	0.7
153.06973	0.9
155.08539	1.0
157.10150	1.3
161.05980	4.9
165.05473	2.3
165.09128	0.8
165.12816	0.7
166.06252	3.4
167.07051	65.7
168.07419	0.8
168.09395	1.4
169.99040	1.3
175.14845	3.1
179.07048	7.1
180.07851	1.2
181.08615	18.4
183.11607	0.7
193.08617	2.8
193.12251	3.6
193.15883	1.6
196.08827	1.2
196.47847	0.7
211.09717	13.0
211.11502	4.1
211.13281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02380	0.8
53.03960	3.8
55.01876	11.8
55.05514	6.0
55.15690	0.7
56.96557	3.3
57.03447	2.6
57.07072	1.4
58.06609	1.1
58.93896	0.7
59.05005	0.9
65.03953	4.1
67.05510	10.6
68.02694	0.6
68.05827	0.9
69.03444	3.8
69.07069	5.5
69.84509	3.9
70.06599	3.5
71.04993	4.0
72.08163	24.3
73.02937	0.9
77.03919	0.8
78.04716	1.6
78.07490	0.7
79.05499	17.5
81.03412	4.6
81.07060	13.6
83.04984	3.9
83.08632	3.3
84.04537	0.8
84.08152	2.9
85.02896	4.8
85.06541	1.7
86.09727	2.1
87.04483	0.9
89.03960	0.7
91.05485	80.3
93.07050	13.6
94.04182	1.4
95.04979	13.1
95.06126	1.2
95.08607	10.7
95.70681	0.8
96.05293	1.4
97.02898	2.0
97.06552	2.4
97.10185	1.2
97.99257	0.9
99.04470	1.9
99.08115	1.4
103.05471	10.8
105.03399	15.2
105.04506	1.3
105.07037	20.4
106.04167	1.6
107.04962	35.0
107.08604	7.4
108.05759	3.0
109.02882	1.9
109.06522	25.4
109.10167	8.8
111.04485	1.0
111.08086	2.4
112.07619	0.7
115.03978	0.7
115.05449	2.7
115.07596	1.5
116.00259	0.9
117.07055	0.9
118.04135	3.7
119.04951	100.0
119.08577	7.3
120.08144	1.5
121.06518	24.8
121.10162	3.1
122.07317	0.9
123.04451	7.1
123.08072	13.0
123.11696	2.3
124.05205	2.1
125.06002	1.4
125.09626	1.2
126.29659	0.6
127.03933	1.6
127.07589	0.9
129.07053	0.8
131.04901	2.1
131.05952	0.8
131.08600	1.2
131.59413	0.8
133.06514	13.1
133.10147	7.7
134.03635	12.9
135.04414	1.8
135.08061	3.7
135.11693	2.3
136.05199	1.6
137.05981	8.1
137.09590	3.5
137.13281	2.0
145.10193	1.0
147.04416	20.2
147.08022	1.4
147.11688	4.1
149.02356	1.0
149.05991	36.6
149.13300	1.7
151.03932	8.2
151.07556	51.1
151.11194	2.4
152.04680	1.0
153.05414	1.2
155.06927	1.2
161.05986	8.5
164.12663	1.3
165.05553	4.5
165.06676	0.8
165.09096	1.9
165.10374	1.0
165.12817	1.4
165.16397	0.7
166.06262	2.3
167.07050	39.7
168.05939	1.0
168.07349	4.1
175.03897	0.9
175.11171	1.4
175.14824	5.1
179.04691	1.1
179.07060	20.4
180.07733	1.2
181.08559	7.8
183.08058	1.3
183.09732	1.3
193.04988	10.2
193.08614	2.1
193.12201	3.3
193.15875	3.1
194.13748	0.8
211.05997	5.3
211.07652	3.3
211.09642	30.9
211.11505	2.7
211.16670	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	211.0967
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
52.61668	0.8
53.03957	3.2
55.01878	9.5
55.05519	1.0
56.96572	2.4
57.03442	1.0
63.82870	0.7
65.03939	3.7
65.67774	0.7
67.05505	2.3
71.18815	0.8
71.19160	1.2
77.65455	0.8
78.04721	1.9
79.05502	11.0
81.07040	4.5
82.94000	0.7
91.05489	80.1
93.07063	6.3
94.04198	1.1
95.04977	6.6
95.08633	1.1
97.99216	1.7
103.05470	10.2
105.03396	13.4
105.04514	1.5
105.07040	16.4
106.04210	1.7
107.04964	31.9
108.05812	3.5
109.06532	21.5
115.05454	1.2
118.04153	4.2
119.04951	100.0
121.06516	26.6
121.07385	1.3
122.03670	0.9
122.07366	1.1
123.04447	6.0
123.08073	12.2
124.05236	2.5
125.05984	1.5
130.80095	0.8
131.04961	2.3
131.06027	0.9
133.06505	13.6
133.10056	0.9
134.03651	13.8
135.08057	2.7
136.05202	2.1
137.06010	7.3
147.04422	16.5
147.05539	1.5
149.05995	40.4
151.03983	1.1
151.07555	51.9
152.04649	1.8
156.58308	0.8
161.05991	10.7
161.07225	1.1
165.05493	1.0
166.06268	3.7
167.07054	47.8
168.07466	2.1
179.07050	20.3
180.07814	1.1
181.08606	13.3
193.08588	0.8
196.08723	0.9
211.07637	1.3
211.09630	29.2
211.11200	1.8
211.14864	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0968
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
50.43316	3.5
53.71191	3.4
54.43623	3.3
55.01874	12.0
55.05513	5.3
56.96571	3.9
57.39177	3.2
58.06584	6.0
63.78128	3.6
65.03963	4.5
67.05527	4.7
69.03402	3.4
71.05002	4.6
71.52852	6.0
71.53513	3.8
74.32309	3.3
79.05511	15.4
81.07040	8.0
83.04999	3.6
91.05492	84.1
93.07042	11.1
95.04977	9.5
95.08633	7.2
97.84148	3.3
103.05475	12.5
105.03416	18.3
105.07051	24.3
107.04986	29.9
107.08588	6.6
109.06533	23.0
109.10155	6.6
118.30307	3.3
119.04958	100.0
119.08548	4.2
121.06506	30.1
123.04433	9.4
123.08064	13.9
123.11721	3.5
125.09666	3.5
133.06496	12.8
133.10158	5.8
134.03648	14.2
134.90999	3.9
135.11786	4.4
137.06018	7.1
147.04434	22.2
149.05988	52.1
151.03935	4.1
151.07576	52.9
155.06822	3.5
161.06006	10.5
165.05511	5.6
166.06323	4.2
167.07072	63.9
167.11977	4.1
168.07445	14.2
179.07054	14.6
180.07796	3.7
181.08624	13.7
183.09734	6.6
183.68381	3.4
193.15933	5.5
196.05168	5.6
209.24690	3.4
211.07497	8.5
211.09663	28.5
211.12946	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	211.0603
Annotation	Clavatoic acid
Peak:m/z	Relative Intensity
53.03970	0.3
55.01880	0.5
57.03446	1.7
58.06595	0.7
65.03944	0.4
65.84165	0.3
67.01870	2.4
67.05502	1.3
68.11146	0.3
68.99789	3.4
69.03425	0.4
69.07075	0.4
70.19392	0.8
70.19785	0.8
71.05001	0.4
74.95349	0.3
77.03943	0.8
79.05486	1.8
81.03419	2.7
81.07066	0.9
83.01371	0.5
83.04978	1.7
85.02912	20.0
91.04919	0.4
91.05490	6.6
91.06030	0.7
93.07030	0.5
95.04988	3.4
97.06544	0.4
98.20815	0.4
103.05465	0.3
105.03383	3.2
105.07048	0.8
107.04969	1.0
109.02885	7.7
109.06516	0.8
109.10195	0.4
111.00824	0.5
116.98454	0.4
119.04959	4.1
119.08614	0.8
121.02858	0.9
121.32465	0.4
123.04439	14.8
125.06018	0.4
127.03911	4.3
133.02875	1.7
133.10136	2.7
137.05983	1.0
141.05432	0.8
147.04425	17.7
147.11700	0.6
149.02394	0.4
149.05974	0.4
151.03917	42.1
151.11195	1.3
151.45435	0.3
152.04430	0.3
165.05495	16.1
167.07048	4.3
169.05003	4.6
175.03934	8.1
175.05464	0.4
193.04982	100.0
194.05273	1.0
211.06029	50.7
211.13243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
55.05519	0.4
57.03443	1.3
57.07070	0.4
58.06603	0.8
61.80189	0.2
65.03930	0.5
67.01875	2.8
67.05518	1.6
68.99793	3.1
69.07067	0.8
70.06609	0.3
71.04990	0.6
71.19136	0.5
79.05506	1.9
81.03432	2.2
81.07061	1.0
83.01335	0.4
83.04996	1.7
85.02915	17.8
85.06535	0.3
91.05492	7.0
93.07059	1.0
95.04977	3.8
95.08607	0.7
97.06546	0.4
99.04466	0.6
103.05485	0.4
105.03403	2.9
105.07060	1.5
107.04956	1.0
107.08606	0.8
109.02900	7.7
109.06547	1.3
111.00835	0.3
113.06105	0.2
113.90083	0.3
119.04964	4.0
119.08592	1.1
121.02872	0.5
123.04445	14.5
123.08111	0.4
123.11700	0.3
125.05997	0.7
127.03930	3.7
128.07108	1.2
131.08598	0.4
133.02864	1.8
133.06491	0.3
133.10139	3.6
137.06020	1.8
139.07635	0.3
141.05478	0.8
147.04431	17.5
147.11694	1.0
149.05995	0.3
151.03923	37.9
151.11189	1.7
152.04298	0.3
155.07022	0.3
165.05501	16.3
165.12817	0.6
165.50693	0.2
167.07062	2.6
169.04985	4.2
175.03941	7.4
175.11201	0.5
193.04990	100.0
193.12262	0.9
194.05383	0.7
211.06039	49.4
211.11284	0.9
211.13364	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0603
Annotation	Clavatoic acid
Peak:m/z	Relative Intensity
53.03938	0.6
55.01858	0.6
55.05511	0.4
57.03436	1.2
58.06596	1.0
65.03934	0.3
66.17086	0.3
67.01871	2.3
67.05502	1.0
68.99789	3.1
69.07060	0.4
70.69602	0.5
70.69939	0.4
73.10007	0.3
77.03937	0.7
79.05505	2.2
81.03426	2.6
81.07041	0.6
83.01380	0.3
83.04984	1.9
85.02910	19.4
91.05489	9.6
93.07069	0.7
95.04979	3.0
95.08629	0.3
97.02897	0.3
97.06550	0.5
99.04475	0.6
103.05460	0.4
105.03400	2.7
105.07041	4.6
107.04949	1.2
109.02886	7.8
109.03603	0.6
109.06532	0.6
111.00803	0.3
112.09949	0.3
115.05434	0.5
117.07043	0.7
119.04950	3.8
119.08588	5.9
121.02885	0.7
121.06551	0.4
123.04436	15.0
123.08042	0.3
125.02381	0.3
125.05968	0.6
127.03928	4.3
128.06198	0.4
129.07019	6.2
131.08560	0.4
133.02850	1.9
133.06496	11.0
133.10143	0.8
137.05998	3.2
141.05537	0.4
147.04420	16.3
147.08054	9.6
149.02296	0.5
151.03912	37.2
151.07555	0.8
151.11179	0.6
152.04387	0.3
163.03972	0.3
165.05487	16.4
165.09116	1.6
167.07106	0.6
169.05000	3.5
175.03925	7.2
175.07599	1.7
179.07082	0.3
193.04976	100.0
193.08607	23.0
194.05310	0.6
211.06029	53.7
211.09625	4.6
211.11566	1.7
213.00798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41573	0.7
53.03952	0.8
55.01858	1.0
65.03937	0.8
69.82693	2.9
78.04709	1.2
79.05489	2.7
81.07088	1.0
84.74522	0.6
91.05477	3.7
93.03431	1.5
93.07076	3.0
95.04961	1.7
97.66399	0.6
103.05499	3.4
105.07045	0.8
106.04185	1.5
107.04974	6.8
111.04474	1.0
119.05003	1.1
121.06519	7.0
122.03667	0.8
123.04458	5.0
124.05242	3.2
131.04922	1.7
132.05670	1.1
133.06512	0.6
135.04425	2.9
137.05971	0.9
139.03925	5.0
139.07541	2.5
147.04440	2.8
149.06017	8.2
151.03903	1.0
151.07558	3.1
152.04709	2.0
154.06261	18.1
161.05998	1.6
167.07060	100.0
168.07542	0.9
177.05583	0.7
177.95125	0.7
179.07024	2.5
181.08603	4.9
182.09415	38.1
193.03279	0.8
195.06479	0.6
209.74921	0.7
210.08936	8.7
210.11032	1.0
210.15628	1.0
233.16954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.149
Annotation	3-Tigloyloxynortropane
Peak:m/z	Relative Intensity
50.22263	0.5
53.19220	0.5
55.01860	1.1
55.05501	2.7
57.03423	1.2
57.07079	2.9
58.06590	1.7
59.05014	2.5
60.04531	13.5
65.03932	1.0
65.94772	0.4
67.05509	6.5
69.03431	0.7
69.07069	4.7
69.75546	3.1
70.06600	4.1
71.04981	1.7
72.04510	0.8
72.08157	0.9
79.05482	3.5
81.07065	30.1
83.04977	1.1
83.08618	1.2
84.08140	1.0
85.02932	0.7
85.06554	1.2
86.06075	2.0
91.05475	3.5
93.05790	0.6
93.07059	6.1
94.06596	0.6
95.04975	25.8
95.08608	7.8
97.06522	1.4
98.06075	3.2
103.05456	0.6
105.07029	5.6
106.04156	0.8
107.04430	0.9
107.05029	1.0
107.08601	10.9
108.07449	0.8
108.08139	11.6
109.06525	22.0
109.10172	7.5
110.06016	0.9
110.09686	0.5
111.08054	0.7
112.07625	1.7
113.05991	1.5
119.06108	0.8
121.06493	0.9
121.10158	1.9
121.24747	0.5
122.06822	1.0
123.08072	1.5
123.11718	35.3
124.11224	0.9
125.09660	0.7
133.10141	9.6
140.14323	1.8
150.06366	1.2
150.09154	15.4
150.12782	5.5
151.11197	17.0
154.09442	0.7
167.07005	0.6
168.13847	8.7
169.12238	0.7
178.05832	1.5
182.08911	0.6
192.13835	1.3
201.94011	0.5
203.44292	0.5
210.14905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01875	0.8
55.05516	0.6
57.07075	3.3
58.07050	0.5
59.05005	0.6
67.05504	1.4
69.03426	0.7
69.07085	1.4
69.75152	2.0
71.05002	6.4
79.05486	2.9
79.27596	0.6
81.07071	6.4
83.04974	1.0
85.06553	2.4
91.05479	1.5
93.07054	5.1
95.04977	14.9
95.08595	2.5
97.06549	1.5
98.20726	0.7
99.04466	19.9
99.08092	1.0
105.07032	3.0
107.04962	1.0
107.08591	3.7
109.06526	100.0
109.10174	1.8
111.08097	6.6
112.41562	0.4
121.06521	1.2
121.10153	2.2
123.08076	2.3
123.11707	0.8
125.09588	0.5
131.08566	2.9
133.10144	7.6
135.08080	4.8
135.11693	1.0
145.10147	1.2
147.11734	1.0
149.05998	0.8
149.09668	1.4
149.13274	1.8
151.11186	2.2
153.09122	22.2
158.10870	0.8
163.14839	0.8
173.13298	5.4
177.05539	0.8
178.12354	1.4
191.14310	7.3
209.11861	0.7
209.15384	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03948	5.5
55.01633	2.4
55.01878	29.6
55.05519	15.2
57.03429	4.4
57.07067	4.7
59.04987	3.6
60.00984	2.0
65.03934	5.6
67.05509	24.2
69.03433	9.9
69.07076	18.7
69.63091	6.1
69.63500	4.1
71.05006	20.3
72.08169	2.0
75.04496	2.3
77.03918	2.5
78.04713	4.0
79.05497	25.0
81.03431	3.2
81.06592	2.5
81.07066	43.2
83.01361	3.0
83.04994	18.3
83.08627	12.3
85.02896	3.1
85.06533	8.1
87.04450	4.1
89.03924	3.7
91.05487	34.2
93.03420	8.3
93.07056	47.0
93.78983	1.7
95.04978	100.0
95.08615	46.6
97.06538	30.9
97.10182	4.2
99.04468	29.5
99.08089	5.8
100.11308	2.4
103.05470	16.5
105.03394	2.7
105.07040	26.1
106.04189	29.2
107.04955	7.1
107.08605	74.4
109.06524	71.5
109.10171	26.7
111.04456	3.9
111.08099	11.7
113.09605	2.4
115.07571	2.1
117.03393	5.5
117.07025	4.8
119.04970	3.8
119.08606	17.6
119.19256	1.7
121.06514	41.7
121.10154	47.5
123.04395	2.6
123.08047	12.4
123.11719	9.5
125.06007	10.8
125.09630	15.3
127.11119	2.4
129.06996	3.7
131.04919	9.0
131.08589	23.3
131.62564	1.7
133.10141	49.7
134.03622	6.5
135.04395	1.8
135.08078	20.0
135.11682	14.4
137.05980	5.3
137.09653	3.7
138.06752	2.9
139.07581	5.5
139.11157	5.4
143.08612	2.9
145.02856	8.2
145.10127	14.1
147.11710	16.0
148.05179	2.9
149.06001	46.0
149.09631	20.9
149.13277	20.7
151.11197	52.6
153.05440	6.3
153.09111	48.2
158.10953	6.0
161.13316	3.1
163.03986	2.1
163.07581	3.4
163.11188	5.9
163.14830	28.1
165.12772	2.5
166.06264	2.0
167.14311	4.7
167.96452	2.5
173.13264	37.1
177.05495	30.7
179.14339	1.8
181.08563	7.9
191.07076	12.0
191.10696	3.5
191.14320	69.9
193.04968	2.0
194.05670	3.0
209.06128	3.1
209.08000	23.9
209.09688	4.4
209.11540	3.3
209.15379	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01885	0.4
55.05507	1.4
57.03444	0.5
57.07084	2.0
59.04999	0.9
67.05502	1.4
69.03432	0.6
69.07074	1.2
70.28257	0.9
71.04999	6.2
72.08140	0.6
79.05504	2.6
81.07062	6.3
83.04981	1.6
85.06530	2.4
91.05492	2.0
93.07047	5.2
95.04974	16.9
95.08603	2.8
97.06522	1.0
99.04464	19.9
99.08108	0.7
103.05498	0.6
105.07038	4.2
107.08606	3.7
109.06525	100.0
109.10144	2.5
111.08088	6.3
117.07061	0.4
119.08580	1.5
121.06512	1.2
121.10155	3.8
123.04436	0.4
123.08047	2.7
123.11696	0.8
131.08575	3.1
133.10150	7.7
135.08057	3.9
135.11667	1.2
137.28371	0.4
145.10129	1.0
147.11699	0.9
147.15698	0.5
149.06007	0.7
149.09615	1.6
149.13269	1.4
151.11195	2.3
153.09117	21.4
161.68980	0.4
163.14828	0.8
166.15921	0.9
167.14296	0.6
173.13284	4.9
178.12302	2.7
191.14316	6.9
209.04521	0.4
209.08061	0.5
209.15373	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	0.6
55.01888	0.5
55.05501	0.8
55.08981	0.3
57.06881	0.3
57.07084	4.0
60.68344	0.4
67.05515	4.0
69.03428	1.0
69.07066	1.3
70.44685	1.4
71.04989	2.7
78.04720	0.5
78.44424	0.4
79.05498	3.4
81.07061	3.6
83.04969	0.9
83.08621	1.0
85.02916	0.5
85.06551	0.6
88.69746	0.4
91.05499	3.3
93.03421	0.8
93.07052	4.1
95.04982	3.3
95.08621	4.2
97.06539	1.4
103.05463	1.5
105.07030	3.2
106.04169	2.5
107.08602	4.9
109.06525	100.0
109.10164	9.2
110.06821	0.6
111.08086	1.6
117.07014	1.3
119.08592	1.6
121.06512	2.9
121.10168	2.3
122.16132	0.4
123.08075	8.6
125.09686	0.4
131.04938	0.6
131.08562	5.0
133.06499	0.6
133.10155	2.2
133.63124	0.4
134.03636	0.4
135.08067	24.7
137.09610	0.4
139.11174	0.8
143.08589	0.6
145.10100	1.6
147.11728	1.2
148.08807	0.5
149.05968	2.9
149.09596	2.1
149.13274	1.2
150.10417	1.4
151.11191	1.4
153.09129	4.8
158.10985	0.6
173.13283	6.6
177.05527	1.8
180.61214	0.4
181.06566	0.4
191.14325	22.8
209.07999	0.9
209.15375	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	209.1175
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03944	3.3
55.01873	10.2
55.05513	7.1
56.37184	1.1
57.03426	5.3
57.07077	1.8
60.04530	1.4
63.69151	1.0
65.03938	2.5
66.92445	1.1
67.05508	10.0
69.03420	2.4
69.07082	15.4
69.53095	5.8
71.04656	1.9
71.05001	24.7
77.03922	1.4
79.05502	42.9
79.05970	2.2
81.03442	1.7
81.07059	11.0
82.94786	1.4
83.04987	11.3
83.08620	1.8
85.02901	1.7
85.06586	1.4
91.05490	30.3
92.05829	1.4
93.03394	2.2
93.07054	44.6
95.04985	30.4
95.08591	3.5
97.06530	9.8
99.04476	6.4
103.05480	5.1
105.07050	32.1
106.04172	2.8
107.04311	1.5
107.04976	19.9
107.08610	55.0
108.05270	2.4
109.06534	7.5
109.10149	2.7
111.04430	3.5
115.05437	2.4
116.06224	2.6
117.07034	9.5
119.04963	2.2
119.08578	13.8
121.06519	40.1
121.09333	2.4
121.10159	35.4
123.04486	1.4
123.08067	3.8
125.06017	10.0
125.09641	2.7
129.06989	4.4
130.07777	2.5
131.04944	3.7
131.08583	100.0
133.06522	2.1
133.10139	4.7
135.04402	4.3
135.08075	8.8
135.11674	6.6
137.05968	2.1
139.07565	4.3
139.11136	2.7
141.05466	3.9
143.08559	2.0
145.10139	45.0
147.08052	4.2
147.11699	5.4
148.05136	1.4
149.02339	4.0
149.06009	8.9
149.09637	97.2
150.06783	1.5
151.11189	2.0
153.05493	13.0
153.09126	8.9
155.06975	1.2
163.07565	3.6
163.11194	30.9
165.09137	4.1
167.07080	10.9
167.10696	5.4
173.09618	4.6
173.13229	3.9
177.05609	5.9
181.04950	2.8
181.08644	2.2
190.07635	1.2
191.07045	6.2
191.10680	37.4
191.14371	3.8
194.02142	2.0
203.56242	1.5
209.04489	24.1
209.08025	6.6
209.09789	3.6
209.11742	68.3
209.15247	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03941	6.7
55.01875	22.7
55.05518	10.7
57.03421	4.8
57.07076	1.6
58.06584	1.5
58.65944	1.5
65.03930	3.7
67.05509	9.7
69.03416	6.2
69.07072	28.9
71.04665	2.1
71.05002	30.6
71.52827	1.6
75.04465	4.3
77.03930	2.4
78.04687	4.7
79.05498	55.2
81.03397	1.6
81.07065	18.6
82.02850	1.3
83.05000	13.9
83.08650	2.3
84.08166	1.9
85.02921	3.2
85.06491	1.7
89.03913	3.0
91.05488	42.3
93.03433	7.5
93.07050	62.9
95.04467	1.8
95.04984	26.7
95.08628	8.9
95.09087	1.5
97.06556	18.1
99.04446	6.0
99.08054	1.7
103.05476	16.1
103.68962	1.4
105.04510	4.9
105.07041	36.5
106.04172	22.1
107.04310	2.1
107.04973	27.8
107.08603	65.6
109.06528	39.9
109.10140	7.4
111.04485	7.2
111.08063	4.9
115.05473	2.3
116.06251	2.1
117.03384	3.9
117.07020	10.2
119.04918	3.1
119.08577	12.0
121.06518	80.2
121.09329	2.8
121.10149	42.6
123.04396	3.0
123.08111	7.7
123.11737	2.9
125.06010	17.7
125.09578	2.6
129.06972	4.7
130.07782	2.6
131.04964	8.0
131.08580	100.0
133.06497	2.9
133.10144	14.5
134.03601	4.8
134.96970	1.3
135.04396	6.2
135.08058	13.5
135.11693	9.5
137.05962	5.9
137.09593	1.9
139.03894	6.8
139.07516	6.7
141.05475	3.1
143.08516	2.9
145.02859	4.1
145.10135	45.0
145.11270	2.1
147.04321	2.0
147.08084	3.8
147.11707	7.0
148.05185	4.1
149.05995	37.6
149.09630	90.2
149.13260	3.2
151.07547	2.8
151.11140	5.8
153.05479	19.6
153.09102	18.6
163.03772	2.1
163.07542	4.3
163.09891	2.1
163.11212	40.2
163.14835	3.0
165.09148	3.0
167.07056	13.1
167.10666	4.5
173.09564	4.2
173.13287	8.6
177.05496	23.3
177.09085	1.7
181.08629	8.6
181.09949	1.9
185.97441	1.7
191.06999	6.7
191.08885	3.0
191.10687	41.7
191.14311	13.1
196.61639	1.5
199.36873	1.8
199.70132	1.8
202.95053	1.5
203.98268	1.5
209.04439	4.3
209.07994	13.6
209.09758	5.2
209.11708	69.5
209.15294	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	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03938	2.4
55.01876	5.9
55.05515	8.3
57.03425	2.0
67.05511	6.2
69.03435	14.1
69.07079	6.1
70.77464	1.0
70.84592	1.3
70.84914	1.9
71.05003	10.4
79.05066	1.9
79.05497	27.1
81.03433	1.5
81.07070	8.7
83.04982	7.0
84.08126	1.9
85.02897	1.8
85.06548	1.3
91.05486	27.1
93.07053	38.2
95.04990	7.6
95.08580	3.5
97.02885	2.4
97.06516	5.5
99.04453	1.6
103.05445	4.2
105.07037	30.0
107.04972	13.4
107.08598	27.4
109.06496	4.4
109.10145	1.2
111.04484	1.4
111.08008	1.4
115.05510	1.5
116.06255	3.9
117.07031	12.5
119.04932	1.4
119.08581	22.2
121.06513	18.6
121.10152	29.0
123.04386	1.6
123.08071	4.8
125.05984	3.8
129.06990	4.6
129.10274	2.2
130.07779	4.4
131.04922	2.1
131.08574	100.0
133.10149	1.9
135.04402	1.8
135.08044	3.4
135.11696	16.3
137.05984	3.7
139.07532	3.4
141.05446	3.5
143.08606	2.7
145.10136	65.8
147.08081	11.0
147.11684	2.7
149.05951	5.1
149.09628	56.1
151.07544	2.6
153.05452	4.5
163.11185	34.9
165.09149	15.0
167.07050	5.2
167.10678	2.5
173.09621	5.8
177.05473	2.5
191.07016	2.4
191.10690	39.6
209.08101	2.1
209.11722	42.2
209.15439	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1175
Annotation	Elemicin
Peak:m/z	Relative Intensity
51.02416	0.4
53.03994	1.0
55.01879	6.4
55.05558	2.8
57.03461	0.7
65.03697	0.3
65.03992	1.2
67.05518	3.7
69.03485	1.3
69.07121	1.4
70.06625	0.4
70.13921	0.3
71.05043	1.2
71.53168	0.5
72.80537	0.3
75.04526	0.8
78.04713	3.2
79.05501	5.7
81.03471	1.0
81.07071	3.0
82.94855	0.4
83.01399	0.6
83.05033	1.4
83.08648	0.7
85.02966	0.7
85.06577	0.6
89.03977	1.0
91.05490	8.5
93.03460	1.5
93.07049	8.0
95.04978	6.7
95.08620	2.4
97.06528	1.7
98.97615	0.7
99.04457	1.8
99.08124	0.4
101.02663	0.3
103.05495	3.4
105.03477	0.6
105.04539	0.7
105.07053	3.3
106.04179	6.2
107.04967	25.9
107.08605	4.9
109.06528	3.1
109.10192	1.1
111.04517	0.7
111.08080	0.5
115.05466	2.4
116.06264	0.5
117.03420	1.5
117.07033	10.9
119.04960	1.7
119.08602	2.7
121.06517	8.2
121.10164	4.8
122.03719	0.6
123.04442	6.8
123.08116	1.1
123.11729	0.7
124.05217	3.0
125.02332	0.4
125.06017	1.9
125.09660	1.0
129.07091	0.4
130.07816	0.6
131.04950	2.4
131.08577	5.1
132.05751	0.3
133.06554	0.4
133.10161	1.6
134.03665	1.5
134.07285	1.7
135.04451	1.3
135.08072	2.2
135.11737	1.9
137.06012	1.4
137.09612	0.4
139.03918	0.7
139.07597	1.3
139.11221	0.4
140.04700	3.3
143.08597	0.3
145.02855	2.2
145.06500	7.3
145.10150	4.2
146.05974	0.3
147.04480	1.6
147.08078	0.6
148.05200	1.1
149.04820	0.4
149.06000	7.5
149.09634	13.6
149.13298	0.7
150.03104	0.5
151.03944	1.3
151.07573	0.6
151.11153	1.6
152.04718	2.7
153.05478	1.5
153.09117	2.3
154.06291	0.4
155.07135	1.6
158.10939	0.5
159.04405	0.4
159.09215	1.0
163.03915	0.9
163.07533	1.2
163.11212	4.2
163.14848	0.7
165.05598	0.4
165.09116	0.7
166.06279	1.1
167.07054	100.0
167.96402	0.5
168.07378	0.9
173.09581	0.5
173.13298	1.4
176.04634	0.6
177.05566	7.7
177.09122	33.3
181.05002	0.8
181.06421	0.4
181.08629	2.2
185.97568	0.5
191.07069	3.0
191.08499	0.4
191.09009	0.4
191.10629	2.9
191.14307	1.9
194.07286	0.5
209.04411	0.8
209.08067	5.9
209.09767	1.0
209.11702	11.1
209.15356	4.6
211.28693	0.3
215.32581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1175
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.61335	0.9
53.03948	2.0
55.01882	7.4
55.05516	6.3
57.03444	18.5
57.07072	1.3
65.03934	1.5
67.05511	7.1
69.03430	4.6
69.07072	7.6
71.05004	36.0
71.37096	1.6
77.03922	1.6
79.05502	51.2
81.07071	10.9
83.04992	11.1
85.02924	1.4
85.06558	3.5
91.05489	38.2
91.49696	1.0
93.07056	53.8
95.04978	14.8
95.08607	2.3
95.75449	1.2
97.02900	1.6
97.06538	4.8
99.04492	1.9
99.08116	1.3
103.05463	3.2
105.07046	29.2
107.04964	18.1
107.08609	42.1
108.08871	1.4
109.06535	14.8
109.10178	1.2
111.04465	1.4
111.08099	1.9
116.06260	2.1
117.03396	1.2
117.07039	16.7
119.04934	1.5
119.08595	23.1
121.05663	2.3
121.06520	47.1
121.10161	42.0
122.28690	1.2
123.04446	3.7
123.08057	3.8
125.06032	8.0
125.65733	1.1
129.07043	2.4
130.07779	4.2
131.04930	1.8
131.08585	62.6
133.06508	1.5
133.10121	1.5
135.04463	1.7
135.08064	16.6
135.11711	18.1
137.05977	4.4
139.07556	4.3
139.11154	1.4
143.08598	1.9
145.10138	48.2
147.08078	4.5
147.11745	5.5
148.05194	1.7
149.06018	5.6
149.09639	100.0
151.07587	1.6
151.11183	2.7
153.05437	4.8
153.09059	2.2
163.07558	4.1
163.11208	55.2
165.09148	6.9
167.07025	4.9
167.10686	8.4
173.09625	5.1
177.05473	2.7
179.98174	1.3
181.05009	3.1
181.12227	2.9
191.07051	4.5
191.10689	52.0
192.11057	1.4
209.04425	3.5
209.08458	5.7
209.11752	62.2
209.15358	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	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.01071	0.9
53.03935	2.9
55.01878	12.6
55.05516	9.3
55.95753	0.9
56.49174	0.9
57.03428	3.5
57.07068	3.2
58.06591	1.2
59.05025	1.2
60.04538	4.9
61.04866	1.9
65.03928	2.4
65.16252	0.9
67.05513	9.7
69.03442	4.9
69.07073	17.5
69.67506	4.8
71.05000	29.2
75.04467	0.8
76.80028	1.2
77.03914	1.0
78.04697	1.2
79.05501	47.2
79.05967	2.3
80.05789	1.0
81.03410	3.3
81.07066	15.3
83.04987	13.9
83.08622	2.2
85.02901	1.7
85.06525	3.7
89.03915	1.4
89.29652	1.0
91.05491	29.0
91.78947	1.1
93.03405	2.6
93.07053	51.0
95.04981	28.7
95.08611	7.2
97.02851	1.5
97.06533	9.1
99.03855	1.4
99.04466	16.9
99.08080	1.8
103.05472	8.3
105.03378	1.3
105.04573	1.5
105.07043	28.1
106.04189	5.6
106.06587	1.8
107.04966	22.8
107.06991	2.2
107.08606	62.3
108.05283	7.0
109.06527	78.3
109.10143	6.7
111.04449	4.1
111.08088	6.4
115.05461	1.5
116.06229	1.5
117.03371	2.2
117.07036	9.7
119.04939	2.3
119.08601	11.6
121.06518	44.1
121.10150	36.9
123.04471	1.2
123.08089	5.8
125.05997	8.5
125.09625	2.5
129.07004	4.5
130.07787	3.8
131.04951	6.7
131.08578	100.0
132.05264	3.4
133.06487	1.8
133.10139	11.6
134.03633	2.3
135.04382	4.0
135.08058	9.7
135.11708	9.6
137.05922	2.4
137.09718	1.1
139.07515	3.8
139.11174	1.9
141.05434	2.4
145.02831	3.1
145.06436	1.3
145.10132	38.3
147.04416	2.3
147.08070	3.8
147.11679	6.1
148.05165	2.0
149.06004	13.3
149.09630	78.0
149.13246	3.1
151.07542	2.2
151.11212	6.6
153.05493	15.1
153.09105	18.6
155.07019	1.6
158.10904	1.3
163.03937	1.3
163.07558	2.5
163.11200	28.1
163.14836	2.7
165.09129	4.4
166.06274	2.3
167.07060	11.4
167.10736	4.8
167.14384	2.4
167.96480	1.4
173.09668	5.1
173.13268	10.0
177.05519	11.7
181.06433	2.0
181.08578	2.6
181.12280	1.3
185.97401	1.1
191.07060	3.7
191.08922	1.6
191.10678	38.4
191.14311	12.7
194.07303	1.3
209.04381	3.8
209.07930	8.6
209.09738	5.6
209.11731	67.4
209.15297	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1175
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03942	2.6
55.01864	5.1
55.05507	6.3
57.03434	2.4
58.06579	1.5
63.94861	1.2
67.05503	8.2
69.03432	3.4
69.07074	15.5
71.02975	2.1
71.04652	1.9
71.05002	23.0
79.05499	39.0
79.19010	1.1
81.07068	8.3
83.04987	10.0
91.05489	26.0
93.06483	2.2
93.07053	38.5
95.04991	9.3
95.08601	2.0
97.06549	6.8
103.05449	5.1
105.04553	1.4
105.07041	23.1
106.04144	2.8
107.04964	16.3
107.08607	52.6
109.06512	5.1
111.04432	3.1
111.08128	1.2
112.73380	1.1
117.07034	8.2
118.45427	1.3
119.08604	7.8
121.06517	40.5
121.09332	2.1
121.10156	29.7
123.04440	1.9
123.08083	2.9
125.06021	6.3
125.09624	3.8
129.07010	3.5
130.07756	2.1
131.08585	100.0
135.04468	2.9
135.08034	5.0
135.11687	4.5
137.05984	1.8
139.07581	3.5
141.05441	2.5
145.10146	36.9
147.08043	4.8
147.11731	3.0
149.06013	7.9
149.09639	82.0
151.07547	2.0
151.11227	1.6
153.05469	11.4
163.07568	2.1
163.11195	25.5
165.09119	3.6
166.00836	3.2
167.07100	6.8
167.10683	3.5
167.14355	1.8
173.09624	3.6
177.05519	4.3
191.07051	2.2
191.08932	2.2
191.10692	35.3
194.00369	10.5
199.70422	1.4
209.02718	10.8
209.08052	2.3
209.09866	2.7
209.11734	68.9
209.15262	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	209.1174
Annotation	Isoelemicin
Peak:m/z	Relative Intensity
53.03944	1.6
55.01878	5.5
55.05514	3.1
55.55613	0.4
57.03419	0.7
57.07072	1.0
58.06588	0.9
59.04996	0.9
65.03922	1.0
67.01855	1.3
67.05505	2.3
68.99792	0.7
69.03441	2.0
69.07056	1.2
70.06572	0.6
71.04990	0.6
71.52695	0.7
72.08162	0.7
74.35176	0.4
75.04485	0.7
78.04681	0.6
79.05067	0.5
79.05497	4.6
81.03413	0.4
81.07053	2.6
82.94835	1.3
83.01349	10.3
83.04998	2.1
83.08621	3.0
83.28262	0.4
85.02905	1.3
89.03917	0.7
91.05487	7.7
92.87000	0.4
93.03410	1.7
93.07047	5.7
94.07811	0.9
95.04969	2.6
95.08607	2.3
97.06525	1.8
99.04464	0.5
100.95925	0.4
101.01775	0.4
101.02351	1.9
103.05476	4.0
105.03405	0.8
105.04492	0.6
105.06372	0.6
105.07034	4.3
106.04183	6.2
106.07892	0.3
107.04980	3.6
107.08606	7.6
109.02886	0.4
109.06509	2.4
109.10155	1.2
110.07276	0.4
111.04409	0.8
111.08121	1.9
115.05518	0.6
117.03376	1.2
117.07042	1.9
117.95970	1.4
118.04201	0.7
118.96735	0.6
119.04898	0.9
119.08591	4.1
120.05707	0.7
121.06508	9.8
121.10160	2.7
121.99286	0.5
123.04424	0.7
123.08055	2.4
123.97440	0.9
124.05157	0.5
125.02393	1.0
125.05992	3.8
125.09661	1.2
129.06996	0.4
130.07782	1.1
131.04922	4.1
131.08548	1.2
133.02797	0.5
133.06499	0.7
133.10126	1.0
134.03624	1.8
135.04427	1.9
135.08067	3.7
135.11696	6.4
135.97008	0.4
136.04759	1.9
137.05989	1.3
138.06712	0.5
139.07611	0.8
143.08517	0.4
145.00966	1.0
145.02850	1.5
145.10135	3.7
147.04391	0.5
147.11679	0.6
148.05165	1.4
149.05992	10.9
149.09615	1.5
149.13251	0.8
151.11197	0.7
153.05447	3.2
153.09100	2.5
159.04427	0.8
161.05994	0.6
162.95837	0.7
163.02074	0.7
163.03937	0.6
163.07529	1.5
163.11182	2.4
163.14821	0.5
165.06680	0.6
166.06314	0.6
167.07082	1.4
167.10892	0.4
167.14310	0.8
167.96431	0.8
173.09564	0.4
173.13257	1.1
176.04654	0.6
177.04051	0.7
177.05489	8.9
179.07112	0.5
179.56316	0.5
180.07918	0.4
181.06351	0.5
181.08553	2.5
185.97461	1.3
191.06955	2.9
191.08578	0.6
191.10687	1.6
191.14330	1.4
194.07602	0.6
194.09404	4.4
209.04375	1.0
209.08154	5.0
209.11740	100.0
209.15280	4.3
210.12070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03936	1.6
53.04543	1.3
54.43598	1.6
55.01876	8.7
55.05519	14.4
55.52432	1.3
57.03432	2.3
63.69904	1.5
67.05489	8.5
69.03432	9.7
69.07068	11.2
69.38878	12.0
70.06600	2.4
71.04990	8.4
72.48727	1.5
79.05499	35.0
79.32396	1.2
81.03408	1.8
81.07061	9.0
83.04983	12.6
83.08604	1.7
85.02927	2.8
85.06560	2.8
89.06040	6.4
91.05490	28.6
93.07053	42.4
95.04993	12.4
95.08604	5.3
96.44908	1.4
97.02901	2.1
97.06528	5.9
99.04467	3.0
102.73815	1.3
103.05482	4.8
105.07043	27.2
107.04962	27.3
107.08598	30.2
109.06516	8.0
111.04482	2.0
115.05468	2.1
116.06277	2.4
117.07039	10.6
119.08588	16.7
121.06519	24.3
121.10159	43.4
121.11039	2.1
123.08105	3.2
123.11718	1.8
125.05991	4.8
125.09629	2.0
129.07018	7.4
130.07808	5.5
131.04951	4.3
131.08580	100.0
133.06477	1.5
133.08571	2.4
133.10196	1.8
133.62086	1.4
135.04439	2.1
135.08067	4.2
135.11697	18.0
137.05978	7.9
139.07539	3.3
141.05453	4.2
145.06468	2.3
145.10133	63.1
145.11298	3.1
147.08063	12.8
147.11655	1.9
149.05989	6.5
149.09630	74.6
151.07564	3.3
151.11192	3.5
153.05479	5.1
155.07085	3.9
161.09218	5.0
163.03891	1.9
163.07556	2.3
163.11183	30.9
165.09134	10.6
166.09479	2.3
167.07045	7.6
167.10709	4.0
167.14378	2.8
167.96490	1.6
173.09656	6.8
177.05519	3.7
177.08693	3.5
181.04964	2.1
191.07034	5.0
191.10683	48.1
191.14368	3.1
192.11008	11.6
192.55772	1.6
209.04503	2.0
209.08163	4.4
209.11766	69.0
209.13623	7.8
209.15413	4.8
210.11325	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	209.1175
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03944	3.2
55.01881	11.0
55.05521	9.6
57.03420	3.2
62.97949	1.4
67.05514	7.6
68.65620	1.5
69.03423	5.8
69.07079	9.8
71.01368	1.6
71.04993	7.5
71.24567	3.0
77.03915	1.7
77.32973	1.2
79.05072	2.3
79.05502	34.3
81.03453	3.4
81.07068	9.8
83.04986	8.7
84.08167	2.8
85.02924	2.8
87.79400	1.2
91.05487	29.7
93.03443	2.0
93.06483	3.0
93.07050	47.0
95.04986	8.2
95.08607	4.6
97.02914	3.4
97.06538	5.1
99.04462	2.6
103.05476	3.1
105.04498	1.7
105.07035	28.7
105.07697	2.6
107.04293	2.8
107.04957	27.4
107.08604	36.0
109.06546	7.7
109.07178	1.4
111.04428	4.0
113.02361	2.9
117.07003	11.6
119.08589	16.9
120.08078	1.4
121.06516	25.5
121.10155	41.6
123.04440	2.2
123.08076	3.5
125.05994	4.3
125.09637	1.6
129.07033	6.7
130.07800	6.2
131.04916	1.7
131.08578	100.0
133.06508	3.2
135.04443	3.1
135.08087	2.8
135.11716	15.4
137.05984	7.2
139.07516	3.1
141.05489	3.2
143.08522	2.3
145.10136	64.9
146.06999	1.5
147.08035	14.2
147.11703	2.7
149.05998	6.6
149.09633	80.7
151.07521	3.7
151.11147	1.9
153.05489	4.9
155.07097	2.5
156.07660	1.6
163.07558	2.2
163.11198	36.1
165.09154	6.6
167.07077	7.9
167.10754	3.1
173.09616	7.0
177.05553	3.2
181.12094	1.7
191.07013	2.6
191.10677	46.5
191.12350	3.0
191.14474	1.6
192.11028	3.3
196.18619	1.4
209.04617	1.4
209.08142	3.9
209.09756	3.2
209.11757	66.0
209.13516	3.0
209.15279	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	209.0811
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02382	1.2
51.82435	1.1
53.03951	7.4
55.01883	12.7
57.20255	1.1
58.06595	1.1
58.78971	1.2
65.03946	9.7
67.05491	4.1
69.47781	7.0
69.48198	1.9
71.04975	2.0
75.04487	9.6
77.03924	3.3
78.04713	12.4
79.05494	6.3
81.03404	1.8
81.07047	2.5
82.04195	2.1
85.02925	7.9
89.03922	6.4
89.06039	2.8
91.05491	47.4
93.03418	31.8
93.07051	16.4
95.04973	15.5
95.08565	1.1
96.05772	1.1
97.06538	11.3
98.21453	2.2
99.52074	1.1
103.05476	19.8
105.03398	2.5
105.04531	2.6
105.07048	1.9
106.04184	88.3
107.04931	4.6
107.08546	1.7
108.05747	2.0
109.06507	3.9
111.04401	1.4
117.03394	7.1
118.04138	2.2
119.04928	5.0
120.05723	1.8
121.06515	81.7
122.03617	2.0
122.07359	1.4
123.04435	3.6
124.05230	2.1
125.06014	21.2
131.04947	6.1
133.06462	2.3
134.03651	14.7
135.04410	3.4
135.11795	1.7
137.05994	12.9
138.06770	3.7
139.07565	6.5
145.02887	6.0
147.04414	1.6
148.05171	8.9
149.05997	100.0
151.03915	2.2
151.07555	3.8
152.08331	1.5
153.05452	6.7
153.09116	20.8
159.04451	1.6
163.03928	1.3
163.07619	5.5
165.05519	2.5
166.06258	4.8
167.07014	1.8
176.04752	1.2
177.05489	44.8
180.07748	1.6
181.08612	25.3
187.43260	1.1
191.07100	6.7
209.08101	23.4
209.09915	1.8
209.11476	1.5
216.44424	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0811
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02398	1.4
53.03952	7.9
55.01636	1.5
55.01878	19.2
55.05495	2.4
57.03439	2.1
65.03945	9.8
66.04713	1.2
67.05511	5.3
69.03432	1.7
69.07052	1.3
70.69232	3.2
71.04987	2.7
75.04495	10.0
77.03931	2.7
78.04720	12.3
79.05501	8.9
81.03406	1.4
81.07052	2.7
83.04996	2.5
83.08615	1.2
85.02924	7.3
89.03938	5.7
89.06055	2.8
91.05492	47.1
93.03416	25.0
93.07052	20.9
95.04975	14.0
95.08616	2.4
97.06545	11.8
103.05487	21.6
105.03386	3.2
105.04518	3.9
105.07018	3.3
106.04186	78.0
107.04995	7.0
107.08595	2.5
108.05731	1.3
109.06517	4.8
109.10141	1.4
111.04444	1.9
117.03409	6.0
118.04153	1.9
119.04934	2.6
119.08542	1.1
120.05737	2.3
121.06516	79.3
121.10114	3.3
122.03691	1.8
122.07224	1.7
123.04423	3.6
123.08047	3.3
124.05254	1.3
125.05192	1.6
125.06017	20.7
125.09606	1.9
131.04951	8.6
131.08585	2.9
133.02861	2.0
133.06432	1.5
133.10132	1.3
134.03644	11.3
135.04439	2.7
135.08092	2.3
135.11667	1.8
137.05995	12.9
138.06770	3.3
139.07535	7.1
145.02887	6.4
145.10103	2.4
147.04401	2.2
148.05219	6.2
149.05997	100.0
149.09621	3.3
151.03880	3.2
151.07533	4.6
151.11133	1.9
153.05519	6.7
153.09122	21.0
159.04419	2.6
163.07553	6.0
163.11201	3.1
166.06288	3.5
167.07065	2.3
167.14389	1.1
167.96413	1.2
173.13364	1.4
177.05495	51.6
180.07822	1.6
181.08621	21.8
181.10185	2.0
191.07013	9.2
191.10748	1.7
191.14304	4.1
193.04962	1.2
209.08099	32.0
209.09634	2.2
209.11554	1.8
209.15350	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	209.0811
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02373	1.0
53.03952	6.4
55.01627	1.3
55.01880	19.4
55.05507	3.6
57.03434	1.6
57.07070	0.8
59.05027	1.1
63.39318	0.9
65.03948	10.8
67.05515	14.8
69.03412	2.7
69.07060	3.9
70.96272	1.1
70.96596	1.3
71.04990	4.1
75.04500	10.7
77.03933	2.0
78.04726	12.0
79.05501	12.2
80.45679	0.9
81.03431	2.7
81.07072	9.6
83.04974	2.5
83.08636	1.0
85.02915	7.5
85.06541	1.3
89.03912	5.4
89.06042	2.6
91.05491	47.0
93.03418	26.8
93.07053	26.1
95.04978	27.1
95.08619	6.1
97.06537	16.0
99.04494	2.6
99.08079	1.1
102.26649	0.8
103.05477	21.7
105.03400	2.8
105.04520	3.2
105.07034	7.9
106.04185	77.7
107.04989	7.3
107.08598	10.8
108.05753	1.4
109.06528	23.3
109.10196	4.2
110.03662	1.5
111.04438	3.0
111.08122	2.3
117.03395	6.2
117.07039	2.2
118.04173	2.8
119.04945	4.1
119.08595	5.2
120.05753	1.9
121.06518	80.0
121.10160	13.8
122.03683	1.5
122.07324	1.0
123.04456	4.3
123.08085	3.0
123.11755	1.1
124.05260	1.1
125.06007	20.6
125.09650	2.2
128.02319	1.0
131.04941	9.0
131.05910	1.8
131.08601	4.7
131.14973	0.9
132.05754	0.8
133.02888	2.1
133.06459	1.4
133.10126	6.9
134.03651	14.1
135.04434	3.2
135.08087	6.2
135.11699	3.6
136.05208	1.2
137.05988	12.8
138.06770	3.5
139.03889	2.5
139.07576	6.7
139.11188	1.1
145.02856	8.2
145.10159	5.2
147.04399	3.1
147.11700	2.1
148.05237	7.8
149.05998	100.0
149.09601	6.9
149.13242	4.0
151.03964	2.2
151.07535	4.1
151.11201	2.5
152.04654	1.1
152.08324	2.4
153.05435	6.2
153.09117	23.7
158.10808	0.9
159.04480	1.5
161.52940	0.9
162.03137	1.3
163.03976	1.1
163.07530	6.0
163.10052	0.8
163.11250	7.0
163.14862	2.8
165.05435	2.7
165.06764	1.5
166.06279	3.7
167.07106	4.2
167.96529	1.0
173.13261	3.5
176.04659	1.4
177.05501	49.4
180.07822	1.5
181.05043	1.6
181.08624	21.4
186.30861	0.9
191.07018	10.6
191.10722	3.3
191.14316	9.0
209.04547	1.3
209.08087	27.8
209.09723	3.0
209.11743	4.4
209.13495	1.6
209.15363	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.03951	6.7
55.01876	100.0
55.05504	2.3
57.03423	4.6
57.55339	1.2
65.03934	4.3
67.05500	3.1
69.03415	1.6
69.07069	2.2
69.43366	5.7
71.04990	7.2
75.04475	1.7
77.03896	1.6
78.04707	2.9
78.21539	1.0
79.05504	8.3
81.07054	6.0
83.04964	2.1
85.02913	1.6
89.03912	12.2
91.05487	39.9
93.03417	6.3
93.07047	19.3
95.04973	11.0
95.08611	6.0
97.06525	3.5
99.04460	17.3
102.04691	1.4
103.05476	39.5
104.36386	1.2
105.03400	2.4
105.04537	2.7
105.07021	7.0
106.04178	17.1
107.04977	11.5
107.08595	7.8
109.06519	4.3
109.10136	1.9
110.03666	1.8
111.04443	5.1
117.03387	23.2
117.07054	1.3
118.04156	5.5
119.04955	10.7
119.08561	4.1
120.05731	5.8
121.06509	51.3
121.10147	7.8
123.04436	2.9
123.08061	3.1
124.05289	1.3
125.05987	5.8
125.09608	1.7
130.04178	5.4
131.04932	23.9
131.08574	5.1
133.02843	4.5
133.06461	2.1
133.10126	7.4
134.03621	11.1
135.04405	5.3
135.08058	2.5
135.11684	2.3
137.05963	4.3
137.97618	1.2
138.03131	5.9
138.06700	2.0
139.03871	3.7
145.02855	37.0
145.10135	1.9
147.04428	14.2
147.11635	1.4
148.05212	14.0
149.05992	64.4
149.09665	4.0
149.13248	1.7
151.03905	5.0
151.11203	7.2
153.05481	17.0
153.09087	4.3
158.10982	1.4
159.04393	3.2
159.05566	3.5
161.13266	4.1
162.03149	2.4
163.03923	7.0
163.07556	12.6
163.11215	4.3
163.14853	1.7
164.04683	2.7
165.05479	2.0
166.06282	8.1
167.03450	1.5
167.07082	2.9
173.13261	4.3
176.04689	10.2
177.05482	99.3
178.06009	1.8
179.03430	1.8
181.04951	3.6
181.08600	14.2
191.07043	44.8
191.10655	2.3
191.14326	4.7
193.04976	4.7
194.05756	4.1
209.08096	91.4
209.11705	3.2
209.15349	10.1
225.10754	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	(4R)-5-Hydroxy-4-methoxy-alpha-tetralone
Peak:m/z	Relative Intensity
53.03920	7.7
55.01876	100.0
55.02120	3.3
55.05495	4.7
57.03388	3.5
58.06570	7.9
60.41169	2.6
66.97206	2.5
67.05473	3.2
68.16711	2.4
70.09377	9.0
71.86604	2.5
79.05456	6.5
81.07024	7.7
83.04951	3.8
89.03931	16.8
91.05483	35.5
93.07056	22.0
95.04945	7.3
95.08555	4.7
103.05487	40.9
105.06987	5.7
106.04128	6.7
107.04951	12.8
107.08537	6.9
109.06460	6.1
111.04424	4.1
117.03397	22.8
118.04083	8.5
119.04878	9.5
120.05676	4.8
121.06508	43.5
121.10100	4.4
125.05902	5.0
130.04086	4.8
131.04948	30.3
133.02829	4.2
134.03542	11.1
138.03087	7.3
145.02858	36.3
147.04428	15.0
148.05229	13.4
149.06000	66.6
149.13132	3.8
150.05450	4.2
151.03821	7.0
153.05449	17.9
153.09001	3.3
159.04318	4.5
159.05458	3.3
163.03812	5.0
163.07556	13.4
163.11087	4.3
165.05394	4.0
166.06207	6.6
167.03271	3.6
173.13216	2.5
176.04544	10.5
177.05482	99.5
181.04919	5.1
181.08612	18.7
186.05486	2.9
191.05446	3.9
191.06982	57.7
191.14162	7.8
193.04874	6.2
194.05630	6.8
209.07959	90.8
209.09587	6.5
209.11568	6.2
209.15306	26.5
225.73416	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	209.081
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02380	1.2
53.03955	7.8
55.01877	17.5
55.05503	2.6
56.44860	1.2
57.07062	4.0
58.06599	2.6
65.03941	9.7
67.05495	4.5
69.03426	1.6
69.07053	1.9
69.71847	6.5
70.58978	1.2
71.04995	3.0
72.08154	2.4
72.42216	1.2
75.04493	11.0
78.04723	10.3
79.05498	11.3
81.03412	2.4
81.07062	7.3
83.04972	2.8
83.08640	1.6
85.02917	7.6
85.06525	2.3
89.03909	5.6
89.06035	2.7
91.05489	44.2
93.03412	27.1
93.07068	16.5
95.04971	13.9
95.08585	4.5
97.06567	9.5
97.10124	1.6
98.20856	3.0
103.05482	17.6
105.03381	2.7
105.04514	3.4
105.07047	4.4
106.04185	76.6
107.04991	7.4
107.08579	7.1
108.05748	1.8
109.02882	1.4
109.06515	7.4
109.10175	2.8
111.04446	3.1
111.08063	1.6
117.03383	7.1
117.95981	6.2
118.04245	1.3
118.96741	1.6
119.04927	5.2
121.06516	74.9
121.10171	2.9
123.04424	3.7
123.08070	4.3
124.05196	3.8
125.06001	23.3
125.09641	3.1
127.37102	1.4
131.04938	14.7
131.05901	2.4
131.08589	2.2
133.02904	1.8
133.06445	1.9
134.03633	12.2
135.04431	4.3
135.08086	3.1
135.11668	1.8
135.97005	2.3
137.05986	12.6
138.06764	3.3
139.07562	7.0
145.00975	2.3
145.02838	7.6
145.10115	2.1
147.04436	2.9
148.05219	7.1
149.05989	100.0
149.09625	2.2
149.13310	2.5
151.03920	2.1
151.07549	4.2
151.11195	2.6
152.08289	2.9
153.05504	5.4
153.06995	1.9
153.09114	21.9
159.04401	2.3
163.01912	3.5
163.03922	2.0
163.07559	5.5
163.11183	3.0
163.14883	2.8
165.05507	2.1
165.06779	2.4
166.06230	4.3
167.07071	2.7
167.14261	2.2
177.05493	45.1
181.08604	21.1
181.10030	2.3
185.97536	2.1
191.06879	6.6
191.14310	3.6
209.04387	4.4
209.05997	7.9
209.08092	22.0
209.09674	4.9
209.11664	3.3
209.13530	1.7
209.15363	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0811
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03946	4.5
55.01881	100.0
57.03433	3.8
65.03944	3.6
68.66351	1.3
69.43844	8.8
77.03915	1.9
78.04728	1.8
79.05491	4.3
89.03933	13.4
91.05492	32.1
93.03428	2.7
93.07055	12.2
95.04990	4.6
102.04695	1.8
103.05484	35.7
105.03398	2.4
106.04205	8.2
107.04955	9.6
111.04426	2.3
117.03401	19.9
117.07064	1.5
118.04186	6.5
119.04980	11.2
120.05721	6.1
121.06512	32.6
123.04469	3.0
124.04470	1.5
125.06010	2.8
130.04195	3.5
131.04953	22.7
132.79083	1.7
133.02882	3.4
134.03667	12.4
135.04430	3.4
138.03139	4.7
145.01767	2.6
145.02869	39.0
146.03653	2.6
147.04436	11.9
148.05206	13.3
149.05994	49.2
151.03920	5.5
153.05484	17.2
159.04416	3.8
159.05591	2.6
162.03168	3.0
163.03938	7.3
163.07573	15.2
164.04706	2.9
164.76826	1.3
165.05516	1.5
166.06284	8.4
173.05933	1.6
176.04701	9.2
177.05498	94.8
179.03441	1.7
181.05089	4.0
181.08635	12.3
186.05493	2.0
191.07059	48.2
193.05000	4.1
194.05809	4.8
209.08119	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03934	3.4
55.01879	87.7
56.12111	0.8
56.34944	0.9
57.03429	3.4
58.06599	1.1
60.05704	1.0
65.03927	2.3
69.28588	1.4
69.28992	7.8
77.03918	1.3
78.04700	2.3
79.05484	3.2
81.03412	1.0
83.97817	1.0
89.03930	10.2
91.05492	29.4
92.06268	1.2
93.03428	1.5
93.07048	14.4
95.04971	4.8
102.04684	1.6
103.05482	32.4
105.04528	2.2
105.07006	2.8
106.04194	4.9
107.04971	10.4
107.08588	1.6
109.02847	1.1
109.06493	1.1
109.56834	1.0
110.03645	1.0
111.04423	1.8
115.05480	0.9
117.03392	17.8
117.07024	1.6
118.04164	4.3
119.04968	9.3
120.05716	4.3
121.06514	37.1
123.04485	1.6
125.05991	3.5
130.04123	3.2
131.04025	1.7
131.04939	21.7
133.02841	3.6
133.06506	1.8
134.03635	7.9
135.04468	4.7
137.05966	1.2
138.03133	5.0
140.04692	1.0
145.02861	31.2
145.04015	1.7
146.03615	1.0
147.04425	10.9
148.05219	11.8
149.05991	50.3
151.03932	5.1
152.04688	1.2
153.04317	1.4
153.05493	16.8
153.09123	1.0
159.04362	3.2
159.05600	3.0
162.03125	2.1
163.03952	6.7
163.07565	11.3
164.04669	2.7
165.05377	2.3
165.06645	2.1
166.06261	7.0
172.38252	0.9
173.06003	1.6
176.04689	8.2
177.05489	100.0
181.05037	2.5
181.08612	13.5
186.05559	2.8
191.07030	45.0
193.04984	4.3
194.05823	4.6
209.08095	94.2
209.15323	6.3
213.89915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Sinapoyl aldehyde
Peak:m/z	Relative Intensity
51.64173	1.9
53.03931	3.1
55.01878	94.8
55.05518	2.6
57.03416	3.5
57.07056	4.0
58.06582	3.5
65.03932	2.4
67.05493	6.1
69.03428	3.0
69.07060	3.3
71.52769	3.8
78.04691	2.9
79.05483	6.7
81.03382	2.9
81.07037	5.7
82.94809	2.2
83.04962	4.5
84.59771	2.0
89.03914	11.9
91.04981	2.9
91.05489	39.1
93.03387	4.4
93.07051	22.1
95.04946	7.9
95.08634	4.3
102.93564	2.4
103.04823	2.1
103.05481	40.9
105.03360	5.3
105.04516	3.4
105.07024	5.8
106.04156	6.9
107.04956	18.7
107.08566	8.7
109.06501	7.1
109.10181	2.7
110.26884	2.1
111.04416	5.4
117.03403	17.2
117.06960	3.4
117.95973	3.4
118.04170	6.9
118.96773	2.4
119.04967	12.7
119.08602	2.7
120.05663	4.0
121.05686	2.8
121.06512	46.8
121.10149	2.6
123.04412	4.2
123.08081	4.0
123.11707	2.7
125.06001	4.8
130.04150	3.0
131.04926	30.3
131.08621	3.4
133.02867	5.9
133.06474	2.1
134.03674	13.2
135.04393	7.7
135.08067	10.5
135.96971	2.7
137.05972	4.9
138.03137	3.5
145.00928	7.4
145.02856	33.9
147.04428	23.9
147.07994	3.8
148.05209	20.1
149.05998	57.1
149.09560	6.2
151.03848	5.2
151.07541	12.7
153.05498	22.2
153.09044	4.3
158.80409	2.1
162.06702	6.9
163.02011	6.2
163.03896	8.5
163.06557	1.9
163.07576	24.1
164.04634	3.2
165.05348	5.4
166.06288	11.3
166.07582	3.0
167.07001	5.0
168.07813	13.7
176.04637	7.4
177.05486	100.0
177.09087	4.5
178.09898	26.9
179.07048	16.0
179.10617	4.3
181.04974	3.5
181.08604	53.1
181.10028	2.2
182.56715	2.3
186.05470	2.5
191.05453	3.3
191.07008	44.9
191.08557	3.8
191.10649	2.9
191.14243	4.4
193.04898	3.7
194.05698	3.0
194.09396	30.3
209.06044	5.3
209.08038	80.1
209.09650	10.6
209.11691	65.5
209.15323	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
50.27998	0.5
51.01975	0.7
53.03951	1.9
55.01878	8.5
55.05509	1.2
57.03444	1.0
57.07080	3.9
57.07332	0.8
58.06610	1.0
65.03938	2.7
67.05508	1.9
68.99795	7.9
69.07079	1.2
70.78088	1.3
71.01360	6.2
77.03937	1.0
78.04718	2.7
79.05498	7.3
81.07063	9.1
83.04987	2.8
89.03929	6.0
91.05491	9.1
93.03410	5.9
93.07043	7.0
95.04982	2.8
95.08630	1.3
97.06546	1.2
103.05473	34.5
105.03401	8.3
105.04520	1.2
105.07048	1.3
106.04182	37.3
107.04972	2.9
107.08613	3.0
109.06537	1.6
109.10159	1.2
111.04447	1.0
111.08061	1.4
113.47314	0.8
117.03392	6.2
117.96017	0.8
119.04968	2.4
121.06509	22.0
121.10171	2.1
123.11772	1.0
125.05981	0.7
125.09648	1.3
131.04930	18.5
131.08516	0.8
134.03622	5.0
135.04445	1.9
135.08057	2.9
145.00948	1.7
145.02856	4.0
147.04407	1.3
148.05214	1.5
149.05992	44.2
149.09636	1.2
150.05453	0.9
151.11194	0.9
153.05489	2.2
153.09143	2.1
159.04410	4.1
159.05576	1.9
162.03157	1.7
163.01978	1.2
163.07523	0.9
165.06680	1.0
177.05479	100.0
179.10690	0.9
181.08580	1.1
191.06926	3.0
191.14375	0.9
194.13036	2.2
209.06013	1.5
209.07829	8.4
209.09621	3.1
209.15373	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03939	6.5
55.01878	96.3
55.05493	4.3
57.03446	3.2
57.07083	22.1
57.26493	1.7
57.58593	1.5
65.03928	4.6
66.61861	1.6
67.05483	2.8
68.99781	5.6
69.03413	2.0
69.07081	2.8
70.76762	3.9
71.01357	2.3
77.03925	3.0
79.05483	8.9
81.07047	2.9
83.04990	12.3
89.03928	13.8
91.05486	34.5
93.03386	2.6
93.07055	18.4
95.04957	7.5
97.06557	3.4
102.04652	1.7
103.05476	39.4
105.03400	4.0
105.04516	2.4
105.07033	3.7
106.04213	8.2
107.04970	15.0
107.08581	5.4
109.02898	4.0
109.06520	2.8
111.04450	14.9
117.03388	24.0
117.07035	1.8
117.95953	3.5
118.04163	5.2
119.04953	8.2
119.08572	2.4
120.05760	5.5
121.06519	35.0
121.10133	3.1
123.04437	2.2
124.05202	2.0
125.05991	10.8
125.09621	2.5
130.04173	4.1
131.04924	30.0
131.08534	2.6
133.02846	4.7
133.06546	2.5
134.03664	10.2
135.04420	7.5
135.07896	3.2
135.11656	1.9
137.06047	2.5
138.03110	6.1
139.03889	1.8
143.70387	1.9
145.00986	2.4
145.02846	31.4
145.06519	1.9
146.03644	2.5
147.04437	15.4
148.05208	13.7
149.05991	62.1
151.03896	6.6
153.05487	30.4
153.09033	2.4
159.04402	4.2
159.05553	3.0
161.07054	2.7
162.03064	2.5
163.03918	5.9
163.07550	16.0
163.11198	7.8
164.04633	3.4
166.06276	7.5
167.03406	2.7
167.07053	2.0
167.96353	2.4
170.07620	5.9
175.07452	2.2
176.04688	7.1
176.76578	1.6
177.05486	100.0
179.07042	2.0
181.04886	3.1
181.08594	13.3
181.12207	10.0
191.07031	51.5
191.10707	9.6
193.04993	5.7
193.08641	2.3
194.05750	4.0
194.09352	3.9
209.06383	3.1
209.08090	85.0
209.11681	34.8
209.15163	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	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02378	1.7
53.03957	6.1
55.01875	100.0
55.05500	3.1
57.03426	2.4
57.07060	4.5
65.03938	3.4
67.05516	2.5
69.03429	1.6
69.07040	2.7
69.75989	3.6
69.76381	2.3
71.04977	1.3
72.08149	1.5
78.04695	3.6
79.05483	7.6
81.03406	1.8
81.07042	4.6
82.94833	1.7
83.04964	1.8
83.08575	1.4
85.02856	1.4
87.95164	1.2
89.03917	14.0
91.05489	31.2
92.06264	2.0
93.03407	2.6
93.07051	17.8
95.04975	7.0
95.08585	2.8
98.20805	2.7
102.04636	1.6
103.05473	42.8
105.03391	4.7
105.04539	3.0
105.07033	2.3
106.04207	5.9
107.04955	12.1
107.08588	5.1
109.06554	2.0
110.03694	1.8
111.04421	2.5
117.03394	26.1
117.95948	3.8
118.04153	5.0
118.96822	1.3
119.04961	11.7
120.05733	6.4
121.05670	2.5
121.06509	39.7
121.10126	2.7
123.04398	3.7
123.97460	2.9
125.06011	3.3
125.09617	3.4
130.04132	4.1
131.04031	2.2
131.04944	26.6
133.02798	3.4
133.10164	1.6
134.03648	13.1
135.04398	6.8
135.08032	2.4
135.11736	2.8
135.96997	1.4
137.06009	2.3
138.03152	4.1
139.03893	1.7
144.94772	1.5
145.01022	2.8
145.02849	36.7
145.10120	1.5
147.04404	12.1
147.11668	1.2
148.05212	12.6
149.05983	58.4
149.09608	1.6
151.03889	3.4
151.07471	1.4
151.11176	1.3
152.06226	9.2
153.05461	21.4
153.06978	14.1
153.08992	2.7
159.04364	4.0
159.05551	2.1
162.03130	2.9
163.01979	2.1
163.03902	7.3
163.05092	1.2
163.07544	14.0
163.11238	1.9
163.14838	1.6
164.04684	3.5
165.05322	1.4
166.06277	8.1
166.07478	1.4
167.03305	2.0
167.96365	2.4
173.05945	1.8
175.29858	1.4
176.04689	7.6
177.05476	98.8
179.10713	1.8
181.04958	3.0
181.08623	12.2
191.07030	51.9
191.14252	2.3
193.04951	4.2
193.12213	3.0
194.05730	3.6
194.07368	1.5
197.77946	1.3
209.05980	58.3
209.08087	89.6
209.15370	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1334
Annotation	SALSOLIDINE
Peak:m/z	Relative Intensity
55.05528	0.5
57.07347	0.4
57.79924	0.4
61.43438	0.4
64.27377	0.4
71.37663	1.0
79.05489	0.5
91.05484	2.3
105.07037	1.8
106.18174	0.4
115.05469	0.7
117.07034	1.4
121.06525	6.0
129.06999	2.7
130.07854	0.6
131.08614	1.9
133.06497	1.7
134.03711	0.9
135.08083	1.3
137.06003	1.8
144.05742	1.3
145.06503	6.2
146.07275	0.7
147.06895	1.0
147.08061	2.4
148.07570	0.7
149.05954	2.3
150.06776	3.3
151.07533	1.4
159.08069	4.8
160.08849	47.0
161.05977	4.5
161.09656	2.7
164.07176	0.9
164.08386	1.3
165.09128	24.1
174.62344	0.4
176.08344	25.5
176.10658	1.0
179.09369	1.0
179.10707	4.1
189.03912	0.4
191.10681	100.0
192.10973	1.0
208.13336	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.097
Annotation	2-acetamido-4-methylphenyl acetate
Peak:m/z	Relative Intensity
50.14277	0.5
53.03942	0.8
55.25922	0.6
60.04528	60.1
61.03719	0.6
62.41583	0.6
67.05509	1.1
69.03412	0.7
69.07065	3.5
71.05009	0.7
71.53406	0.7
72.08158	0.8
73.53228	0.5
77.03921	0.9
79.05496	22.1
81.07071	1.3
89.10503	0.5
91.05497	5.0
92.05811	4.4
93.07030	1.1
95.04987	1.4
98.97600	3.7
103.05473	7.6
105.07043	1.6
106.04205	0.7
106.06563	44.0
107.04959	100.0
107.08607	0.8
108.05280	0.9
112.99143	0.9
116.08186	0.6
116.98618	0.7
119.04932	2.2
120.05289	5.0
120.08118	1.0
120.08929	1.2
121.06499	1.4
121.10134	1.1
131.04936	40.1
131.08522	0.6
135.50842	0.6
145.10071	0.7
147.04372	1.5
148.04781	5.3
148.07556	27.0
148.12048	0.6
149.05991	8.9
149.09552	0.6
150.02591	1.0
150.09874	0.5
158.99667	1.3
162.05508	1.2
166.08717	1.0
173.01212	1.0
176.04266	8.2
190.08641	5.8
191.02289	0.7
191.05299	0.7
191.10670	1.1
193.04572	0.8
208.06874	4.8
208.09755	2.1
208.13536	1.3
209.11757	0.8
209.15396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.20067	1.0
55.01858	3.2
55.05508	7.5
55.07745	1.1
56.96547	1.1
57.03438	1.2
57.07067	3.1
59.04993	4.4
67.05506	8.8
69.03439	10.3
69.07073	7.1
70.84295	1.3
70.84645	2.7
71.04999	7.7
72.08155	1.4
79.05492	7.6
81.07066	13.5
83.04982	6.4
83.08599	2.5
85.02925	17.0
85.06541	6.9
91.05496	22.4
93.07063	13.2
95.04970	7.8
95.08620	11.6
97.02924	1.5
97.06538	6.3
99.04456	2.7
103.05461	4.6
105.07038	48.1
107.04974	6.2
107.08610	21.5
109.06530	28.6
109.10153	6.9
111.08082	1.8
115.05437	3.2
117.07030	5.4
119.04938	5.3
119.08590	46.1
121.05732	1.2
121.06529	6.6
121.08475	1.2
121.09335	1.8
121.10150	30.0
121.97578	2.0
123.04417	2.8
123.08079	21.4
123.11714	9.9
125.05956	2.2
128.06218	4.6
129.07002	6.1
130.07779	3.5
131.08571	19.4
133.06480	5.1
133.07448	1.5
133.10133	10.8
135.04404	1.2
135.08032	2.3
135.11685	3.8
137.05989	3.6
137.09621	10.8
139.11183	4.9
141.06964	3.4
142.94955	1.6
143.08589	11.1
145.06493	1.8
145.10141	17.4
146.07257	1.6
146.10870	4.9
147.04428	8.2
147.08076	14.6
147.11699	58.3
149.09639	39.6
149.10710	0.8
151.07565	19.2
156.09346	16.0
159.08073	4.5
159.11691	2.4
160.08858	2.8
161.06000	5.5
161.09669	11.2
161.13278	16.2
163.11221	10.7
164.04718	1.4
165.09151	1.5
165.12775	9.7
165.96590	2.4
171.11699	14.7
174.10426	10.6
175.03899	2.2
177.12666	2.8
179.07033	5.7
179.14330	1.8
183.97641	3.8
189.05467	2.4
189.09076	3.9
189.12756	48.4
207.06509	9.4
207.10025	3.2
207.12108	4.1
207.13817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03953	1.6
55.01871	1.6
55.05495	4.9
56.96561	2.0
57.07072	2.6
59.04996	1.7
63.49910	1.1
65.03930	4.4
67.05504	6.8
69.03436	8.3
69.07056	2.8
70.42586	1.2
70.42925	3.1
71.04998	2.2
77.03907	2.2
79.05491	7.9
81.03421	1.5
81.07055	20.1
83.04972	3.8
85.02909	91.5
85.06533	3.1
89.03932	2.1
89.50513	1.3
91.05486	57.6
93.07059	10.7
95.04976	5.9
95.08607	11.4
103.05468	3.4
104.05791	1.2
105.07040	40.7
107.04929	5.7
107.08598	13.0
109.06534	9.4
109.10177	10.1
117.07021	7.3
118.04197	2.5
118.06517	1.5
119.04950	43.5
119.06828	1.7
119.08591	44.2
120.08105	4.4
121.06501	2.8
121.08466	11.6
121.10146	21.5
123.04486	1.5
123.08105	7.6
123.11713	58.1
125.05984	7.4
128.06233	4.0
129.06982	4.2
130.07780	4.4
131.08577	14.5
132.02054	3.3
133.06483	4.1
133.10120	10.4
135.04407	2.3
135.08038	2.1
137.09590	2.0
141.07021	3.4
143.08578	6.5
145.06517	2.1
145.10132	20.6
146.03670	1.8
146.10915	4.7
147.04411	34.4
147.06252	1.3
147.08054	19.1
147.11693	48.0
149.02353	4.1
149.09628	15.6
151.07541	9.9
156.09349	15.7
157.03987	4.8
159.08040	3.4
160.08844	4.0
161.06015	1.9
161.09584	9.7
161.13264	4.6
163.11243	7.3
164.04659	2.8
165.12660	2.3
169.08609	1.8
171.11668	8.5
173.09575	1.4
174.03101	1.8
174.10419	8.6
175.03915	50.0
179.07054	3.8
179.08531	2.3
187.11136	1.3
189.07407	2.1
189.09132	4.1
189.12756	44.3
190.05026	4.1
190.12930	1.6
192.04161	7.6
207.06480	26.2
207.08144	4.6
207.10091	5.7
207.13815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03946	8.2
55.01860	1.6
55.05502	5.5
56.96559	3.3
64.65025	1.3
65.03943	3.0
67.05509	25.2
69.03424	3.5
69.07076	7.2
69.61977	1.2
71.04996	3.3
71.52943	1.9
79.05499	45.7
80.94952	5.5
81.03415	1.7
81.06592	1.5
81.07059	22.7
83.04955	3.0
83.08609	2.5
85.02884	1.5
85.06539	3.6
88.16030	1.3
89.03929	1.6
91.04902	2.8
91.05485	70.7
93.07050	100.0
95.04982	12.8
95.08617	11.0
103.05476	3.2
105.04514	4.0
105.07036	27.5
107.04947	3.4
107.08615	12.6
109.06513	5.6
109.10168	2.8
111.04422	1.4
113.06124	1.6
113.62773	1.3
115.05454	2.5
115.96449	17.1
116.97215	4.6
117.07009	4.6
118.04125	1.5
119.04946	26.1
119.08580	14.2
120.04465	8.9
121.06503	3.8
121.10175	3.1
121.97579	4.3
123.08047	8.2
123.11679	2.1
124.93935	1.4
127.07564	1.9
129.07033	11.7
131.04929	3.8
131.08490	2.2
133.06519	1.7
133.10136	5.7
133.97455	5.8
135.11671	2.1
136.05170	2.3
137.05928	1.3
137.09663	1.8
142.94974	1.8
143.08546	4.5
145.10097	8.5
146.03625	2.2
147.04422	16.5
147.08026	6.2
147.11693	44.2
149.02350	6.1
149.05902	1.5
149.09569	2.7
151.07550	4.8
156.99028	1.6
157.03992	1.6
158.30965	1.3
160.96005	3.5
161.09610	4.9
161.13263	8.6
163.03891	2.0
163.07446	1.5
164.04709	7.5
165.96535	4.9
166.58092	1.5
167.04752	1.3
171.05519	2.9
171.11694	21.4
174.03218	1.7
175.03940	18.6
175.58627	2.7
178.04932	2.6
179.07053	6.2
183.97668	6.8
184.00148	3.9
189.06706	2.8
189.09132	1.9
189.12735	14.0
190.04996	21.4
192.04152	6.7
206.99413	1.4
207.06448	29.5
207.10072	5.8
207.13788	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03938	2.3
55.01886	2.8
55.05507	6.6
57.03425	2.1
57.07059	2.9
59.04999	2.2
67.05501	10.9
68.14030	1.2
69.03441	6.4
69.07069	8.0
70.62246	1.1
70.87173	3.2
71.01346	1.1
71.05009	8.9
71.25198	1.1
72.08153	2.5
79.05498	11.9
81.07062	22.5
83.04974	5.1
83.08601	2.1
85.02910	35.7
85.06514	2.5
91.05482	18.5
93.06495	1.4
93.07056	25.2
95.04968	7.0
95.08611	13.8
97.06528	4.1
98.21510	1.6
98.97622	1.5
99.04432	2.6
103.05442	1.7
105.07041	47.4
106.43848	1.1
107.04944	3.5
107.08603	29.1
108.27365	1.0
109.06531	15.9
109.10175	14.1
109.34008	1.0
111.08090	2.8
117.07018	4.0
118.14939	1.1
119.04951	8.6
119.08596	44.2
120.08128	1.7
121.01569	1.3
121.06487	5.5
121.10152	44.3
122.07275	1.8
123.04446	1.7
123.08075	16.6
123.11698	22.4
125.05985	2.9
126.58911	1.2
128.06177	1.7
129.06998	3.8
131.08556	11.1
133.06500	7.3
133.07336	1.1
133.10144	16.3
135.08032	3.2
135.11661	2.7
137.05940	3.0
137.09622	15.6
137.13239	2.3
139.07526	1.6
142.07655	1.4
143.08598	8.5
145.06477	1.7
145.10118	15.4
146.07220	1.7
147.04405	4.3
147.08064	13.4
147.11699	42.9
149.02345	2.8
149.09628	79.2
151.07552	14.8
156.09373	10.4
159.08086	2.0
159.11688	3.1
160.06053	1.3
160.08798	2.4
161.05994	2.8
161.09657	10.5
161.13266	33.1
161.14616	1.6
163.11182	5.9
165.09172	2.5
165.12755	12.9
171.11696	17.8
174.10423	5.7
175.03879	1.9
179.07050	1.7
179.14244	3.2
189.09145	4.3
189.12749	54.9
189.16458	3.1
207.06535	8.4
207.13812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0654
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
51.02399	1.1
55.01862	0.5
64.03165	0.9
65.03944	6.8
67.05521	1.1
68.99783	0.9
69.03439	0.6
69.07073	0.7
70.32494	1.1
70.32858	0.9
76.03178	1.0
77.03938	2.2
79.05509	1.5
80.06283	1.3
81.07079	1.4
89.03909	3.8
90.04718	0.8
91.05487	85.7
93.03419	0.9
93.07078	0.5
95.04962	0.8
95.08599	1.5
103.05473	2.3
104.02605	1.1
105.03392	1.9
105.07045	0.7
106.04191	0.6
107.04952	1.5
107.08576	0.6
108.04501	0.8
108.05716	1.2
108.79690	0.4
109.06492	0.7
109.10173	0.5
115.05475	0.8
115.96412	0.5
117.03392	0.9
117.07001	0.9
118.04167	3.4
119.04950	86.0
119.08583	1.7
120.04478	4.6
120.05252	0.9
120.52254	0.6
121.02874	1.5
122.03660	0.8
123.08099	0.5
129.03351	2.2
129.04414	1.2
129.06956	1.0
131.04897	1.0
132.01147	0.7
132.02089	8.5
132.05670	1.0
133.02831	1.4
134.03560	0.8
135.04414	3.3
136.05203	2.4
137.09624	0.6
145.02895	2.5
145.06606	0.5
146.03596	1.0
147.04417	65.6
147.08089	2.5
147.11693	0.7
149.02364	6.4
150.03116	1.1
157.02832	0.6
157.03992	8.5
162.03094	1.0
162.05460	1.2
163.03912	1.4
164.04678	3.3
174.03062	0.6
175.03917	100.0
176.04356	1.0
177.01814	0.8
177.05492	0.8
178.04953	1.1
179.07016	6.6
179.08331	0.6
190.04988	11.0
192.04190	4.3
207.06494	36.3
207.10103	5.7
207.13696	1.0
207.17377	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58064	0.4
56.05034	1.4
56.96566	1.0
57.03433	1.4
58.06607	12.5
59.05013	0.7
59.06946	3.5
60.04534	0.5
61.74284	0.4
68.05032	1.0
69.03431	0.7
69.07050	1.1
69.24289	0.9
69.24701	2.9
70.06589	0.9
71.08630	0.7
72.08133	0.5
73.02908	0.6
74.06085	8.6
75.46249	0.4
81.03414	0.6
82.38914	0.4
83.04945	0.5
84.04504	0.7
84.08138	1.0
86.06065	1.3
86.09712	7.3
88.03999	30.6
90.05562	0.7
95.06100	1.9
95.08636	0.5
96.08130	0.7
97.02892	1.4
98.09694	4.5
98.97583	1.0
100.07666	0.5
101.00882	0.5
102.05563	1.0
104.07124	4.7
109.02900	0.7
110.97610	0.5
112.11262	1.4
116.05790	0.6
116.10725	1.2
119.01898	0.5
123.04409	0.6
123.96401	0.5
124.07607	0.6
124.11242	0.7
128.07048	0.7
132.10168	0.4
142.03543	0.9
142.08620	0.7
142.12283	3.5
144.10202	3.3
148.03926	0.7
151.03876	0.9
160.07539	1.7
160.13344	100.0
161.07936	7.2
161.13716	0.5
162.05417	0.5
162.10254	1.3
163.05818	0.4
165.96550	0.7
170.11737	0.4
174.07549	0.6
188.09067	1.0
188.12831	6.3
201.00635	0.6
206.10286	1.7
206.13898	28.6
210.76666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1178
Annotation	Bellendine
Peak:m/z	Relative Intensity
57.16125	0.2
69.17994	2.2
77.72786	0.2
84.08156	0.3
91.05515	0.4
94.07337	0.3
104.44719	0.2
105.07046	0.2
109.31577	0.2
118.53110	0.2
119.04964	0.3
121.06515	0.4
122.06843	0.6
134.09634	0.3
138.99208	0.2
145.08881	1.3
150.06738	0.4
160.07581	0.3
161.08356	0.5
162.09148	8.3
163.07545	0.3
163.09488	0.3
173.08363	0.7
174.09225	1.3
176.07089	2.0
177.07863	2.5
188.07118	0.9
190.08650	20.5
191.09424	10.2
206.11774	100.0
207.12073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.9
55.05499	4.7
56.05047	18.8
56.96559	3.2
57.03432	2.2
57.68977	1.3
58.06607	78.3
59.04996	3.0
59.06699	1.5
59.06947	16.1
60.04531	8.5
60.05643	2.8
61.02923	1.9
67.04222	1.7
67.05497	2.4
68.05051	7.2
69.03426	4.4
69.07068	4.1
70.06602	69.7
70.55141	3.9
71.04978	6.1
71.56211	1.4
72.08145	2.0
73.02927	3.8
74.02456	1.4
74.06080	10.7
77.86574	1.2
79.05480	4.6
80.05011	4.9
81.03419	3.0
81.07053	1.7
82.06571	4.2
83.04994	3.4
84.04514	85.2
84.08138	3.9
85.02927	19.4
85.06540	3.5
85.08465	2.4
86.06060	4.5
87.04433	2.0
88.03976	2.5
90.05566	1.9
91.05487	2.1
94.06606	1.3
95.06038	1.6
96.04508	2.7
96.08142	86.0
97.02894	3.1
97.06512	3.4
98.06056	3.4
98.97594	3.9
99.04507	1.8
100.03976	4.6
100.07638	3.7
101.06031	4.3
102.01642	1.5
102.05556	19.9
106.06570	3.7
107.04971	1.8
110.06042	5.0
112.08736	3.9
114.00090	1.6
114.03764	1.4
114.05540	35.7
114.09177	4.8
115.07574	2.8
116.05269	2.7
119.01869	3.6
119.04981	1.7
122.06005	4.3
124.06719	3.1
124.07605	51.9
124.94157	1.4
128.02304	3.0
128.04286	1.3
128.07089	7.4
130.04994	2.7
131.03487	2.2
132.04453	2.2
133.08467	1.8
134.05992	3.5
140.07068	2.7
142.03415	2.3
142.05017	5.6
142.08650	69.1
144.13779	1.8
146.02710	2.1
146.04422	2.1
146.08110	3.6
148.06041	8.3
149.02313	1.5
150.02643	2.9
151.03940	3.5
152.07091	2.8
160.04338	7.0
160.06062	9.7
160.07649	10.9
160.09712	73.1
160.11897	3.0
160.13329	3.0
161.07953	43.5
161.09155	1.8
162.47986	1.5
170.08147	66.3
174.07407	8.9
174.08763	14.1
177.07744	1.9
178.04991	11.4
188.05588	3.9
188.09117	24.9
188.10487	2.7
190.05061	2.6
191.14307	3.6
206.04651	7.2
206.08421	3.4
206.10234	100.0
206.11798	4.7
206.13672	4.7
207.09834	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	206.0815
Annotation	5-Methoxyindoleacetate
Peak:m/z	Relative Intensity
58.06608	0.3
68.99805	0.4
69.39845	1.3
70.02972	0.8
77.03946	0.2
80.05022	0.2
87.00840	2.3
91.05479	2.3
91.06001	0.2
93.07052	2.5
94.51218	0.2
98.97592	0.5
103.05476	11.8
104.05011	0.2
117.05819	0.2
117.07014	0.4
118.06560	14.9
120.08117	100.0
121.08448	0.6
128.04984	1.9
145.06477	0.4
146.06023	25.2
149.02441	0.3
150.02705	0.4
160.07489	0.3
174.05412	0.8
176.07880	0.4
177.00719	0.2
178.05000	0.2
178.08577	0.2
178.47046	0.2
188.07082	12.0
190.08672	0.3
191.14221	0.2
206.08130	7.5
206.11639	1.4
207.06502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1027
Annotation	Casuarine
Peak:m/z	Relative Intensity
55.01866	3.2
55.05499	4.6
56.04791	1.8
56.05041	20.8
56.96569	1.8
57.03434	3.2
58.06607	64.5
59.05009	2.6
59.06297	1.6
59.06939	15.9
60.04519	5.5
60.05640	3.3
61.02905	2.6
66.40874	1.4
67.64149	1.3
68.05038	9.6
69.03413	4.7
69.07061	4.6
70.03767	1.6
70.06602	65.1
71.05003	7.1
71.50537	2.1
72.08143	4.6
73.02909	1.9
74.02448	3.4
74.06086	13.2
76.07621	3.1
79.05486	4.4
80.05001	3.0
81.03434	2.6
81.07054	3.1
82.03746	2.2
82.06591	3.8
83.04972	5.3
83.06937	1.6
83.47349	1.3
84.04513	95.8
84.08141	3.4
85.02509	1.6
85.02918	18.0
85.06502	3.8
86.03215	1.7
86.06032	2.3
88.04004	1.8
91.05454	1.5
94.06561	2.1
95.04951	1.4
96.08144	92.0
97.02875	4.4
97.06528	3.8
98.06042	2.0
98.97590	1.5
100.03970	4.1
100.07613	2.4
101.06001	3.2
102.05556	21.0
102.73523	1.5
104.01270	2.1
104.81390	1.4
105.07024	1.7
106.06599	2.6
106.07317	1.8
109.02918	1.8
110.01304	1.8
110.03239	1.9
110.06030	5.1
111.04448	1.8
112.07614	1.8
112.08708	3.9
114.03765	3.5
114.05543	34.9
114.09160	6.6
115.03922	1.8
115.07539	2.1
116.05246	1.5
119.01906	2.4
120.04430	1.7
120.06604	1.6
120.08924	1.8
122.06013	5.0
124.06718	2.9
124.07608	53.6
125.05962	1.5
127.03943	1.9
127.55873	1.7
128.04205	1.9
128.07101	7.0
130.05005	4.4
131.03410	1.9
132.04414	1.9
134.06050	2.3
140.07111	2.7
142.03416	1.6
142.05052	8.9
142.08656	73.4
143.07005	2.6
146.02638	2.1
146.08131	5.6
147.04366	1.7
147.06470	1.8
148.06023	6.9
150.02664	3.1
151.03874	1.9
152.07053	3.9
159.07666	1.8
160.04295	8.2
160.06059	10.1
160.07655	9.6
160.09712	82.2
160.11951	3.4
160.13255	2.3
161.07953	33.4
161.09233	3.3
170.08151	70.6
171.08504	1.4
174.07440	5.7
174.08752	16.6
178.05014	5.1
188.05553	4.4
188.09140	28.4
190.04990	2.7
191.14378	1.5
206.04570	5.7
206.10240	100.0
206.13626	3.0
206.15515	2.3
207.06537	1.8
207.09776	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	206.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	5.4
58.07417	0.9
60.50407	1.1
71.51056	1.8
77.78312	1.0
82.01459	1.5
82.99837	4.6
83.99912	1.2
89.33681	0.9
98.97578	5.6
100.02494	1.0
101.00890	36.9
102.00957	2.5
103.00650	7.1
116.98624	2.9
119.01926	50.3
120.02014	5.8
121.01675	12.0
124.02451	10.3
125.86467	1.0
125.87373	1.2
134.99744	1.3
137.02946	6.7
137.82919	1.2
139.02678	2.2
142.03510	100.0
142.61493	1.0
143.03647	6.2
144.03233	10.2
146.91849	1.7
158.99928	1.2
160.04564	18.0
161.02965	3.9
161.04678	1.5
164.98619	3.8
165.05150	2.7
173.01268	1.5
177.00914	3.0
178.00984	1.7
179.00685	4.8
179.98680	3.4
182.99698	13.1
184.04614	2.9
188.99118	8.2
189.49150	1.8
191.49474	11.4
191.99480	4.7
192.49309	1.1
200.49976	19.9
201.00549	13.2
201.02524	3.7
216.95285	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0814
Annotation	5-Methoxyindoleacetate
Peak:m/z	Relative Intensity
53.03937	0.3
55.20134	0.2
57.07055	0.2
64.94796	0.2
65.03957	0.2
68.99820	0.3
70.02962	0.9
72.08142	0.2
77.03919	0.2
77.96682	0.2
79.05466	0.2
85.02914	0.4
87.00841	2.0
91.05488	1.9
93.07054	2.5
95.04977	0.2
103.05476	11.9
103.57755	0.2
105.07019	0.2
109.06544	0.2
115.05457	0.3
118.06557	14.8
119.07372	0.3
119.35863	0.2
120.08116	100.0
121.06492	0.2
121.08450	0.7
128.04982	1.5
132.08186	0.2
144.07977	0.2
145.06541	0.2
146.06020	13.3
150.02710	0.4
160.07573	0.4
161.06012	0.3
161.13300	0.2
162.09132	0.3
188.07082	12.4
190.08685	0.5
191.09448	0.4
206.08153	7.0
206.11723	2.2
207.13780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0451
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
53.03947	0.4
55.05516	0.3
56.96574	0.8
57.07080	0.2
58.06629	0.4
58.07428	0.3
59.40653	0.2
60.04529	1.0
69.03433	0.6
69.07084	0.4
70.06612	0.4
71.30823	0.5
72.08184	0.3
73.84252	0.2
79.05513	0.4
81.03426	0.3
84.08161	0.6
85.02909	1.0
86.09728	0.4
91.05495	0.6
93.07079	0.4
95.04980	0.4
95.06085	0.4
97.02901	0.6
98.03235	0.5
98.97603	0.8
104.04987	0.4
105.07084	0.4
107.04932	0.6
111.04546	0.3
116.05305	0.3
116.98552	0.2
118.06579	0.3
118.07382	0.3
119.05023	0.3
119.97870	0.3
120.08088	0.4
121.03037	0.3
121.97632	0.3
123.96462	0.7
132.04466	23.0
132.08940	0.5
136.07561	0.3
142.03479	0.2
142.07451	0.3
147.04445	0.3
147.06349	0.5
149.02348	0.9
150.02701	1.0
150.06401	0.3
151.03917	0.6
160.03902	1.4
160.07434	0.4
160.08598	0.4
160.12057	0.8
161.09653	0.2
164.07034	0.3
164.97232	0.4
174.03650	0.3
177.07890	0.7
178.05013	100.0
179.05440	0.4
183.04190	0.4
188.06987	0.4
188.07909	0.4
189.07388	0.5
191.14346	1.1
201.00690	0.4
206.04504	66.9
206.11679	3.7
207.04703	0.3
219.01610	0.3
224.98392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
50.06080	0.5
53.03948	0.9
54.28754	0.4
55.05511	3.6
57.07087	1.4
57.30331	0.5
58.06600	1.0
67.05503	4.3
69.07071	9.3
71.06783	1.0
71.08636	0.5
77.93792	0.5
79.05496	7.7
81.07061	39.0
83.08627	2.6
89.77464	0.4
91.05482	3.4
93.07049	35.9
95.08616	13.9
97.10173	2.1
105.07047	3.1
107.08598	15.1
109.10167	12.2
111.11739	0.9
115.05434	1.4
117.07049	0.6
119.08589	0.6
121.10151	100.0
121.62690	0.4
122.10480	0.8
123.08073	0.5
123.11728	4.2
135.11697	10.0
137.13263	1.0
140.77855	0.5
141.05116	0.5
144.05692	0.8
145.10167	1.1
147.11626	0.5
149.02379	2.3
149.13268	24.2
160.05199	2.1
163.14859	1.4
172.05344	0.9
173.09627	0.8
175.07574	6.4
187.07532	2.7
205.12311	2.2
205.19539	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.95220	0.4
53.03951	1.5
54.72403	0.4
55.05516	5.5
57.07078	4.9
58.06594	2.4
60.04531	0.7
65.03937	1.7
67.05507	4.9
69.03418	0.5
69.07076	11.8
69.20388	4.0
71.08631	1.0
72.08134	0.5
79.05504	8.0
81.03427	0.9
81.03869	0.4
81.07063	41.3
83.08617	2.7
84.04505	0.6
85.02908	0.8
91.05479	4.1
93.07052	34.7
95.04996	0.8
95.08614	16.9
97.02902	1.9
97.10162	2.3
99.04495	0.5
102.80943	0.4
105.07026	3.0
107.08610	16.4
109.02886	1.6
109.10166	12.7
111.11716	0.9
117.06973	0.4
119.08574	1.0
121.02876	3.3
121.03946	0.8
121.10154	100.0
122.10513	0.9
123.11728	5.9
127.03910	0.6
135.11710	9.7
147.13316	0.4
149.02359	35.2
149.13272	25.8
160.07582	1.7
163.14864	1.6
165.50105	0.4
175.07619	0.6
187.07500	0.5
205.08749	0.9
205.12195	1.1
205.14143	0.6
205.19536	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	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03940	0.9
55.05517	5.3
57.07085	2.8
58.06610	1.7
59.07495	0.5
61.71253	0.4
63.35645	0.4
65.03948	0.9
67.05509	4.7
69.06725	0.9
69.07072	9.9
69.36736	4.1
71.08633	0.8
79.05501	9.0
81.07066	43.1
82.95737	0.4
83.08645	2.5
91.05484	3.7
93.07053	35.1
95.08617	19.4
96.24274	0.5
97.10172	3.0
105.07038	3.1
107.07878	0.9
107.08605	17.6
109.10165	14.0
111.11748	1.2
116.50548	0.4
119.08611	0.6
119.84170	0.5
121.02898	2.4
121.10153	100.0
122.10484	0.7
123.11720	12.7
135.11705	13.4
149.02356	20.8
149.13266	26.5
160.07533	1.0
163.14847	2.3
205.10556	0.6
205.19531	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	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03945	1.1
55.05514	10.2
56.79131	0.8
57.07082	3.7
58.44670	0.8
67.05509	8.7
69.07071	17.4
70.65038	2.1
71.08625	1.0
73.81910	0.7
79.05499	9.5
81.07061	44.5
83.08633	7.3
89.08888	0.9
91.05486	3.2
93.07050	46.8
95.08613	30.4
97.10184	6.0
105.04565	0.8
105.07034	4.2
107.08603	25.9
109.10159	22.2
111.11713	2.8
119.08612	1.0
121.10152	100.0
123.11705	12.0
135.11705	16.7
137.13281	1.1
149.13266	35.0
163.14853	3.8
197.03293	1.0
204.18288	0.8
205.19530	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	205.1953
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
50.22184	1.4
53.03931	2.6
55.05518	23.1
57.07082	10.2
58.06593	2.1
63.65508	1.5
67.05505	20.6
69.07077	42.0
69.53491	1.3
71.08630	2.4
71.41393	3.1
79.05503	17.1
81.07061	61.7
83.08631	15.6
83.37369	1.4
91.05501	7.2
93.07050	64.3
93.07638	3.4
95.05003	1.9
95.08613	70.4
95.44717	1.4
97.10174	14.8
105.07023	6.5
107.08604	64.8
109.10163	68.9
111.11728	7.3
115.05460	6.2
116.06227	4.2
117.07018	10.8
119.08531	1.7
121.10152	100.0
123.11723	33.7
133.10144	1.6
135.11702	61.7
135.12730	3.7
137.13266	4.1
144.05699	4.8
145.06490	9.2
149.02357	2.3
149.13271	99.1
160.07623	2.1
161.00493	1.4
161.05984	2.4
162.06693	1.9
163.14897	13.1
172.05215	2.3
190.06287	5.5
195.98677	1.7
205.08630	23.0
205.19539	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1954
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03941	1.6
55.05513	8.5
57.06881	0.7
57.07085	7.8
58.06607	71.8
62.82514	0.8
65.01357	0.8
65.03943	2.1
67.05512	8.5
68.87568	1.0
69.03416	1.3
69.06734	1.3
69.07078	16.6
70.83601	1.9
71.06113	1.2
71.08631	1.1
79.05505	10.2
80.81854	0.8
81.03429	1.4
81.07066	51.3
83.08632	6.0
84.54536	0.8
85.02911	2.5
91.05505	5.2
93.07057	40.1
95.08617	27.8
95.83657	0.7
97.02892	3.2
97.10184	8.2
105.07020	3.2
107.08608	31.2
109.02889	1.9
109.10169	24.8
111.11723	2.6
115.05476	2.8
116.06253	3.3
117.05751	0.9
117.07072	1.2
119.08582	1.6
121.02876	2.9
121.04015	1.4
121.06523	1.2
121.10159	100.0
123.11720	13.2
127.03884	1.2
132.08087	3.3
134.06004	2.0
135.11703	20.6
137.13310	1.2
144.05722	6.4
145.06480	1.7
147.11703	0.9
149.02361	29.2
149.13280	40.0
149.85680	0.9
160.07607	45.3
161.05974	3.0
162.05524	5.5
163.14861	4.7
172.05182	2.4
177.06577	1.4
188.07100	1.5
190.06267	2.1
205.06490	1.8
205.08582	19.3
205.13399	3.8
205.19537	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03937	1.3
55.05267	1.3
55.05513	16.4
57.07084	7.4
58.06598	7.7
58.56509	0.8
60.04525	1.2
65.03923	1.4
67.05511	11.6
69.03413	1.6
69.07073	30.1
70.87970	1.9
71.08616	1.7
74.91848	1.0
79.05067	1.4
79.05496	15.7
80.55124	0.8
81.03409	1.6
81.07062	56.0
83.08621	12.7
85.02899	2.4
88.02205	1.2
91.05479	5.9
93.07050	53.5
95.08614	50.6
97.02863	2.6
97.10188	7.8
105.07056	6.1
107.08602	41.8
109.02884	2.2
109.10163	40.2
111.11691	4.0
115.05439	1.3
117.06990	1.8
119.08607	2.4
121.02842	1.5
121.10151	100.0
122.94144	0.9
123.11720	20.8
127.05801	0.8
135.11703	38.1
137.05984	1.4
137.13264	1.9
143.04893	0.9
144.05724	1.0
145.06497	1.5
146.80763	0.9
149.02357	11.0
149.13271	60.4
150.13660	1.0
157.06473	0.9
160.05292	4.4
160.07590	5.5
163.14832	8.1
164.15268	0.9
167.87767	0.8
172.05316	1.2
174.10428	0.8
175.07584	9.0
182.13350	0.9
187.07568	4.0
187.14864	0.9
205.06699	1.2
205.08655	1.8
205.12195	2.5
205.14111	3.0
205.16061	2.1
205.19530	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	205.1954
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03949	0.7
55.05272	0.8
55.05519	11.3
57.07089	6.3
58.06607	12.8
62.61225	0.5
65.03950	1.2
67.05506	10.3
69.07077	19.6
71.08628	1.2
71.29812	1.0
79.05502	8.8
81.07066	45.2
83.08625	8.9
83.79042	0.6
85.02915	1.2
91.05481	5.4
93.07054	44.7
95.08619	32.3
97.02880	1.3
97.10169	6.4
105.07050	3.1
107.08609	36.4
109.02905	0.8
109.10168	32.4
111.11735	3.2
115.05480	1.7
116.06221	1.1
117.07004	1.0
119.08595	1.9
121.02892	1.8
121.10158	100.0
122.10439	0.8
123.11726	15.8
135.11703	26.1
137.13257	2.3
144.05672	4.3
145.06479	1.7
147.11748	1.0
149.02362	13.8
149.13275	44.1
160.07617	9.2
161.06017	1.3
162.05473	0.8
163.14854	5.5
172.05229	1.1
177.16443	0.7
190.06233	1.5
205.08612	9.7
205.19537	38.8
206.19846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1954
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.21036	0.5
53.03951	0.9
55.05267	1.0
55.05520	14.1
57.07082	5.1
58.06603	1.4
67.05521	9.4
69.06737	1.1
69.07083	14.8
69.67549	2.8
70.06583	0.8
71.08637	1.3
72.08164	8.1
73.21600	0.6
79.05513	8.3
81.07071	33.4
83.08632	5.1
91.05481	2.5
93.07061	26.2
95.08625	22.1
97.02895	1.3
97.10188	8.3
105.07027	2.0
107.08614	28.3
109.02926	0.8
109.10173	23.4
111.11801	0.6
121.10159	12.1
123.11726	100.0
129.07037	1.2
131.08569	1.1
135.11714	56.9
137.13232	0.9
141.22017	0.7
144.05704	0.8
147.11630	0.7
149.02332	3.7
149.13278	39.0
158.56543	0.6
159.08101	0.7
159.09335	0.8
160.05276	1.5
160.07639	0.8
163.14842	3.2
175.07559	3.2
180.41161	0.7
187.07581	2.2
196.17094	0.7
205.08684	1.8
205.19557	20.0
210.18506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
55.01865	9.5
55.05505	6.4
57.03425	4.5
57.07085	13.4
58.06605	96.5
60.04528	3.4
61.02937	5.5
65.03931	3.9
67.05511	25.2
69.03439	34.3
69.07075	20.1
70.42108	8.2
71.05003	19.3
71.06120	2.2
73.02912	2.4
74.64004	2.5
75.57710	2.7
78.95303	4.4
79.05476	7.2
81.03425	19.0
81.07063	51.8
82.74079	2.6
83.04986	3.5
83.08560	3.0
85.02911	38.9
85.06550	6.5
91.05475	11.7
93.07075	15.8
95.04982	6.8
95.08614	44.0
97.02905	29.8
97.10147	2.7
98.21342	3.3
99.04465	34.2
99.08085	10.2
103.05459	8.4
105.07031	9.6
107.08594	11.6
109.02909	16.7
109.10175	39.8
111.08092	100.0
111.11720	4.0
113.05987	3.7
113.09663	38.9
115.05432	6.0
116.83785	2.4
117.07007	8.4
118.06527	10.5
119.08607	5.4
119.97902	3.2
120.08121	37.5
121.00681	3.0
121.02852	7.4
121.06489	9.2
121.10111	3.7
123.04446	6.1
123.11716	52.0
125.09631	32.8
127.03927	16.1
127.07452	2.7
127.11199	12.7
131.04968	4.8
131.06038	2.7
131.08600	7.2
132.08078	7.3
133.06517	3.1
133.10143	7.2
134.05977	2.9
135.08040	3.4
139.03864	4.8
139.11150	2.7
141.12720	8.5
144.08119	3.0
144.09207	3.4
145.04956	3.2
145.06497	11.8
145.10112	7.0
146.06038	17.7
147.04405	5.5
147.07994	3.3
149.02357	54.5
149.05991	4.3
151.11189	25.9
159.08020	4.8
159.11681	6.4
160.07600	55.6
162.05492	11.6
163.03963	3.4
163.11157	6.3
163.96835	4.2
169.12251	58.6
173.05945	3.3
175.07570	2.6
176.06227	11.0
177.05467	6.3
177.06995	16.2
177.09061	3.3
181.04759	3.0
181.06473	3.4
181.98033	3.7
187.03909	4.3
187.06009	3.2
187.11220	10.3
188.07063	17.5
201.92477	2.7
205.04892	7.3
205.06480	42.4
205.08647	14.3
205.12109	21.0
205.15860	4.5
206.11710	12.8
227.57962	2.6
228.60466	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	205.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15048	1.8
52.95036	2.1
53.03951	3.1
55.05508	7.2
55.64498	2.0
57.03424	3.8
57.07071	9.1
58.06607	50.1
59.04996	7.0
65.03920	2.4
67.05500	9.8
67.24683	2.0
69.03417	7.9
69.07070	18.8
70.96442	5.1
71.04995	24.1
72.08152	14.4
73.08484	8.2
78.95311	2.5
79.05494	15.6
81.03416	5.6
81.07063	100.0
83.04983	9.3
84.00764	2.2
85.02912	12.0
91.05499	5.2
92.47129	2.3
93.07056	8.6
95.04975	6.7
95.08607	7.3
97.02898	8.4
97.06531	6.2
98.97594	5.5
99.04452	3.4
99.08086	4.8
105.07038	9.1
107.08624	19.8
109.02879	8.1
109.06529	3.0
109.10165	21.4
111.08083	4.3
111.11726	7.2
114.89827	2.1
115.05444	5.3
117.07021	5.1
118.08653	3.3
119.97901	2.4
121.02819	4.0
121.06504	5.7
121.10150	8.8
123.11707	29.4
127.03904	7.2
131.08565	6.9
132.08104	4.1
133.10146	4.9
139.11205	11.6
145.06461	4.9
145.10167	2.3
146.06036	9.6
149.02370	28.1
149.05988	4.5
151.11206	22.8
157.12244	8.8
158.96326	2.3
159.08078	3.6
159.11868	8.9
160.07593	33.3
162.05533	11.1
163.96945	3.7
169.12228	14.2
175.07544	2.3
181.98000	2.5
187.07561	3.4
187.13379	5.2
188.07108	9.3
190.08571	2.5
201.39761	2.2
205.04997	3.9
205.08702	5.4
206.11736	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1337
Annotation	Psilocin
Peak:m/z	Relative Intensity
51.76493	0.3
55.13408	0.5
58.06606	100.0
60.04543	0.6
70.06614	0.5
71.29551	0.8
72.08148	0.9
73.02925	0.5
82.06602	0.8
84.08162	0.6
97.02899	0.5
103.48902	0.5
105.07066	0.4
115.05449	2.4
117.05785	1.5
118.06549	0.5
127.03981	0.5
128.07072	0.5
130.06555	0.4
132.08102	4.1
133.06566	0.7
134.06027	1.1
140.95265	0.5
142.06531	1.0
145.46021	0.4
146.06061	0.8
148.10323	0.4
154.45433	0.4
155.06073	0.9
159.06705	0.6
160.07594	70.4
161.07895	0.5
162.05569	2.1
163.96938	0.5
172.06288	1.0
173.07117	9.0
174.07936	0.6
187.10710	0.6
205.09706	0.9
205.13397	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	205.1337
Annotation	Psilocin
Peak:m/z	Relative Intensity
56.05037	0.4
58.06604	100.0
60.70078	0.3
70.91403	0.6
70.91721	0.3
74.84662	0.3
75.51402	0.3
88.35217	0.3
94.25335	0.3
105.07016	0.6
115.05454	2.5
117.05759	1.3
120.18584	0.3
131.75826	0.4
132.08098	4.6
133.06519	0.7
134.06012	1.0
142.06538	0.9
143.07333	0.3
146.16685	0.3
159.06834	0.7
160.07593	68.3
161.07919	0.6
162.05505	0.3
184.31239	0.4
205.13373	6.7
206.87341	0.3
217.48907	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03930	3.5
55.01863	2.2
55.05502	4.2
57.03434	1.3
57.07069	2.9
60.04512	1.3
65.03936	1.8
67.05184	1.4
67.05511	22.1
69.03448	6.3
69.07067	9.9
70.65694	3.2
71.04993	2.4
77.03912	1.0
78.95281	1.4
79.05496	9.9
81.03415	3.4
81.07063	15.3
83.04989	6.9
83.08592	1.3
85.02902	3.1
91.05485	21.8
93.07053	26.6
95.01333	18.2
95.04976	33.9
95.08618	5.9
97.02866	3.7
97.10727	1.0
98.97595	1.5
99.04449	3.4
100.42862	1.0
103.05473	3.9
105.07038	36.7
107.04968	7.5
107.08601	12.8
109.02859	2.0
109.06546	5.2
109.10162	3.7
111.04453	3.4
115.05463	3.8
116.06216	1.1
117.07024	27.1
119.04990	2.0
119.08594	46.3
120.09370	2.7
121.02872	1.1
121.06519	17.7
121.10161	10.9
123.04442	22.1
123.08084	2.9
124.05209	2.4
128.06221	3.2
129.07010	8.3
130.07771	4.3
131.04935	2.9
131.08580	28.5
133.06516	4.0
133.10141	8.2
135.04462	2.7
135.08084	6.7
135.11707	1.7
137.05984	11.6
137.09610	1.9
141.07054	2.4
142.07787	2.8
143.08563	4.5
144.09352	17.0
145.06502	18.0
145.10135	25.6
146.05937	1.6
147.08055	5.5
149.02409	7.3
149.05992	50.3
149.09756	1.1
149.13252	1.9
154.07800	2.3
155.06082	1.7
157.06442	1.4
157.10123	5.5
158.07288	4.9
159.08110	13.0
159.11703	100.0
161.09630	4.4
161.13293	4.9
163.07559	9.6
163.11183	3.5
169.10187	5.0
172.08830	9.9
177.09254	1.3
177.12746	8.2
187.11203	23.2
205.09024	1.8
205.12268	44.7
206.11795	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	205.1225
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
55.05513	0.9
58.06598	2.3
60.04490	0.6
61.57211	0.6
69.07056	1.8
69.68559	1.0
69.68971	2.8
76.71554	0.6
79.05468	0.9
81.07063	1.7
83.04970	0.9
85.02959	1.0
91.05500	3.9
93.07039	1.9
95.04967	0.7
95.08616	0.9
97.02895	2.2
98.21502	0.9
99.87166	0.7
103.05478	8.1
105.07043	6.1
105.28763	0.7
106.04190	1.3
107.08615	1.2
109.02851	1.0
109.06505	0.7
109.10154	1.1
115.05472	4.1
116.06190	0.8
117.07014	9.0
119.08617	1.2
121.06503	8.2
121.10161	1.6
123.11708	1.5
127.03951	1.1
128.06204	2.9
129.07007	7.0
130.04144	1.1
130.07796	5.8
131.04935	21.3
131.08591	0.6
132.05722	1.0
133.06488	0.8
135.11694	2.1
137.05988	3.0
143.04930	1.8
143.08557	2.0
144.05740	5.5
145.06502	18.9
145.10136	37.2
147.04422	2.0
147.08043	2.4
148.05215	6.5
149.02379	5.1
149.06001	6.5
149.13228	0.6
151.07608	0.7
155.08533	2.7
157.06465	5.0
158.07309	7.9
160.05219	4.7
161.05971	2.6
161.09599	1.2
162.06770	4.1
163.07553	13.2
172.05238	1.1
172.08810	1.6
173.09642	50.4
175.07593	14.7
176.08383	3.7
177.09093	1.1
177.12811	0.9
187.07576	11.0
187.11227	2.6
189.09096	0.8
190.09895	5.5
205.08611	3.5
205.12259	100.0
223.63368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0861
Annotation	Frustulosinol
Peak:m/z	Relative Intensity
55.01857	0.5
55.05506	1.1
57.07061	2.1
58.06607	7.8
60.04522	1.1
65.03917	0.7
65.99967	0.5
67.05503	0.6
69.03428	1.0
69.07082	0.8
69.34779	4.6
72.08150	1.1
73.00624	0.6
74.18716	0.5
79.05486	0.9
81.03413	2.9
81.07052	1.4
83.08611	0.7
85.02911	1.6
91.05480	2.0
93.07043	1.1
94.04140	0.7
97.02907	5.0
99.04440	0.8
101.94201	0.6
103.05476	1.8
105.07010	2.0
106.04191	0.5
107.08620	1.0
109.02866	2.2
109.06496	0.7
109.10077	0.7
115.04694	1.1
115.05463	15.9
116.06252	0.8
117.07023	9.2
119.08590	1.2
119.97895	1.0
121.02895	1.9
121.06538	1.3
122.03671	1.4
122.94261	0.6
123.11685	0.7
127.03949	1.5
129.07021	2.2
130.07823	0.6
131.04933	3.6
131.08609	0.9
131.22702	0.6
132.05704	2.2
135.11694	0.7
137.05988	19.0
140.95335	0.6
143.04938	4.3
144.05722	11.9
145.06499	8.0
145.10124	5.9
147.08060	1.8
148.05115	0.9
149.02359	13.9
149.06062	0.9
149.13255	0.9
155.06131	0.8
158.07312	1.5
158.96277	0.7
159.04431	0.7
159.11696	0.8
160.05212	40.7
160.07585	5.4
161.05963	1.3
162.05505	0.7
162.06769	0.9
163.07550	1.8
163.96889	1.6
172.05196	8.5
172.06531	0.7
173.05853	0.7
173.09654	7.3
175.07567	100.0
176.08002	1.1
177.09142	1.7
181.97849	1.0
187.07564	43.4
190.06270	0.9
205.04735	0.9
205.06560	1.3
205.08638	4.1
205.12280	13.5
205.14183	0.8
205.15933	1.6
221.16812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0862
Annotation	Eriosematin F
Peak:m/z	Relative Intensity
53.03956	0.4
55.01879	2.1
55.05502	0.4
57.03434	1.4
57.07079	0.6
58.06598	1.2
67.05508	0.6
67.79399	0.3
68.99796	2.1
69.03435	1.0
69.80021	1.6
71.01361	5.6
79.05500	8.4
80.63906	0.3
81.03418	0.7
81.07050	0.5
85.02911	0.6
91.05486	11.4
93.07048	3.5
95.04956	0.7
97.02898	1.0
99.00822	1.1
99.04443	0.4
102.04686	0.5
103.05470	4.3
105.03416	0.6
105.07034	3.5
106.04179	0.6
107.04963	2.0
107.08611	2.5
109.02886	0.9
109.06520	0.3
115.05471	3.1
116.06243	2.8
117.07042	3.2
119.05000	0.4
119.08572	1.2
119.97910	0.4
121.02879	0.5
121.06490	0.3
123.04464	1.0
123.08075	1.3
125.02382	0.3
127.03886	0.5
128.06236	0.6
129.07013	3.6
130.04152	1.0
131.04944	6.6
131.08577	22.7
133.06509	30.8
133.07584	2.3
135.08063	29.9
135.09140	0.7
139.03905	1.5
140.95303	0.3
141.07005	10.3
143.04933	1.3
144.05716	6.5
144.06795	0.5
145.06529	1.7
145.10158	2.4
147.04417	1.0
148.05240	0.9
149.02367	3.2
149.06023	0.9
149.09659	0.4
157.06453	0.4
159.04475	6.5
159.08066	53.4
159.11691	0.8
160.07474	0.7
161.06020	0.4
163.03912	10.1
163.07584	0.6
163.96866	0.5
169.06448	1.4
169.07735	0.6
171.04430	1.7
172.05156	0.4
173.06003	1.0
175.07559	0.7
176.04704	18.8
177.05481	6.7
177.09090	2.4
177.12776	0.4
177.14743	0.3
187.07561	42.9
188.07983	0.5
189.05577	0.3
190.06253	2.3
194.94650	0.3
205.08615	100.0
206.09007	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0861
Annotation	Eriosematin F
Peak:m/z	Relative Intensity
52.70431	0.6
53.03943	1.1
55.01859	2.3
55.05506	0.9
57.03428	1.5
57.07064	1.9
58.06590	2.2
60.04523	1.5
61.04853	0.8
62.73320	0.6
67.05495	1.9
68.99778	2.0
69.03419	1.6
69.07053	0.6
70.30664	2.1
71.01349	3.2
71.04995	0.6
78.95260	1.3
79.05497	7.8
81.03419	4.2
81.07050	1.9
84.08820	0.8
85.02901	2.9
91.05487	11.4
93.07049	8.0
95.08575	1.3
97.02901	4.7
99.00822	1.4
99.04462	1.4
103.05477	5.3
103.58363	0.6
104.69527	0.6
105.03378	0.8
105.07044	6.8
107.04963	2.5
107.08602	3.3
109.02855	2.3
109.10149	1.7
115.04697	0.9
115.05455	11.6
116.06213	2.1
117.07024	9.6
118.74929	0.6
119.04973	0.7
119.08572	2.5
119.97869	1.4
121.02895	1.1
121.06507	5.7
121.10108	1.8
123.08050	2.0
126.03118	0.7
127.03911	1.9
128.06186	1.1
129.07016	4.8
130.04150	1.4
130.07748	0.8
131.04933	6.8
131.07599	1.3
131.08577	23.9
133.06505	27.4
133.07565	1.8
135.08061	27.9
135.11684	1.3
137.05995	10.6
139.03833	1.0
141.07011	8.7
143.04935	6.5
143.08530	0.9
144.05707	8.6
144.09309	0.9
145.06491	7.4
145.10129	8.9
147.04343	1.2
149.02357	10.2
149.05981	1.9
149.13277	1.4
155.06071	1.4
159.04478	6.0
159.08063	57.0
159.11684	5.1
160.05212	7.8
160.07498	1.4
161.05989	1.0
163.03906	13.9
163.96820	1.9
169.06442	1.4
169.07704	0.8
171.04390	2.0
172.05186	1.8
173.05992	5.0
175.03969	0.6
175.07570	14.4
176.04697	17.3
177.05476	6.3
177.09119	2.2
181.97952	1.0
187.07553	50.8
187.11145	2.2
189.05486	0.9
190.06219	2.2
205.08609	100.0
205.12245	7.0
205.19611	0.8
206.08954	0.9
220.96088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23786	0.3
57.07082	0.7
58.06606	8.1
58.31760	0.4
60.04531	0.5
69.96868	1.4
81.03432	1.4
81.07086	0.7
85.02938	1.0
87.18484	0.4
91.05472	2.1
97.02920	1.5
98.21512	0.7
99.04485	0.5
103.05472	1.8
105.07054	2.1
107.08630	0.5
109.02907	0.6
115.05466	14.3
116.06268	1.3
117.07034	8.4
119.08652	0.7
121.02869	0.6
121.06527	1.2
122.03664	0.8
128.06236	0.7
129.07011	1.9
130.07826	1.2
131.04938	5.7
132.05728	2.3
137.06004	10.9
137.07063	0.5
143.04938	4.5
144.05722	11.8
145.06497	8.7
145.10121	7.1
147.08043	2.3
148.05199	0.9
149.02374	6.2
149.06021	1.0
155.06047	1.0
155.08618	0.5
158.07281	1.4
160.05212	40.9
160.07574	4.1
161.05959	1.6
162.05513	1.5
162.06769	0.9
163.07542	3.8
172.05212	9.0
173.06032	0.8
173.09634	11.6
174.06812	0.6
175.07562	100.0
176.08092	0.9
177.09157	1.5
181.97977	0.7
187.07564	39.6
188.07864	0.7
190.09917	1.0
205.06891	0.6
205.08557	2.4
205.12250	16.6
206.12401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
53.71997	0.5
54.79897	0.5
55.05505	0.8
57.07077	0.8
58.06617	1.0
58.72950	0.5
65.03938	0.8
66.95753	0.4
67.05509	1.1
68.00674	0.4
68.97364	0.5
69.07072	2.8
69.37702	3.6
77.03944	0.6
79.05497	1.6
81.03419	0.9
81.07069	7.5
83.08637	1.1
90.11378	0.5
91.05508	3.5
93.07051	6.7
95.08619	2.5
97.10149	0.9
103.05466	5.0
105.07043	4.6
106.04203	0.7
107.08588	3.7
109.10182	2.4
115.05465	18.1
115.06287	0.9
116.06254	1.7
117.07038	11.4
119.04969	0.6
119.08594	1.3
121.02752	0.5
121.06528	4.1
121.10155	15.8
122.03667	0.9
123.11677	1.1
128.06252	1.3
129.06985	2.7
130.04149	0.7
130.07816	2.8
131.04936	12.3
132.05717	2.9
135.11690	3.0
137.05992	8.4
143.04939	4.1
143.08580	1.6
144.05725	13.9
145.06505	13.9
145.10133	21.2
147.04411	1.0
147.08049	2.4
148.05199	2.8
149.02354	5.2
149.06029	3.6
149.09613	0.7
149.13251	4.7
151.07562	0.7
155.06088	0.9
155.08563	2.0
157.06491	0.5
158.07280	4.5
160.05214	43.2
160.07487	1.4
161.05951	1.9
162.06827	2.6
163.07565	8.8
172.05222	7.9
172.08803	0.6
173.05977	1.6
173.09642	28.6
175.07564	100.0
176.08176	2.0
177.09088	1.6
187.07562	43.3
187.11182	1.9
190.10001	2.5
205.08583	2.0
205.12260	58.5
205.19495	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	204.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87343	0.3
55.05516	5.8
57.03456	0.4
58.06605	12.8
58.72692	0.3
59.05006	20.9
59.06943	1.1
60.04534	9.7
60.08168	1.1
68.05033	0.4
69.03431	0.9
69.96018	1.2
71.04994	0.3
72.08161	100.0
73.02966	0.3
73.08519	0.4
81.07081	0.8
84.04504	1.9
85.02920	1.4
86.09723	1.0
87.04479	6.1
92.77144	0.3
96.04497	1.1
97.02907	1.3
98.06065	0.5
99.04445	0.4
110.06080	0.4
114.05532	0.5
118.08665	29.2
126.05549	1.7
130.06537	0.7
138.05550	1.0
144.08086	3.7
145.05057	0.5
145.08443	9.1
146.06042	0.9
147.04404	0.4
148.07564	0.3
149.02391	0.5
158.05998	0.5
158.11777	25.3
159.06816	0.9
160.07632	0.7
162.05534	0.5
168.06703	0.4
181.59750	0.5
186.05627	0.4
186.11220	1.6
189.11526	0.6
189.59410	0.3
194.57230	0.5
203.57756	1.4
204.08717	2.4
204.10295	0.6
204.12312	3.0
204.13933	3.0
204.15904	1.2
214.10545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05501	3.1
56.97272	0.7
57.07071	0.9
61.49091	0.8
61.71368	0.8
67.05515	12.1
69.07079	6.4
70.60130	1.7
70.60481	1.2
79.05487	4.8
81.07066	22.3
91.05478	9.5
93.07054	18.7
95.08615	47.2
105.07043	31.3
107.08603	28.5
107.54141	0.7
109.10165	32.7
119.08590	26.8
121.10153	12.7
123.11745	5.6
133.10144	17.6
135.11682	2.6
145.10133	1.4
147.11699	35.5
161.13264	16.8
175.14848	6.5
203.17972	100.0
204.18271	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03952	0.8
55.05511	5.0
57.07064	2.0
67.05510	13.4
69.07076	7.9
70.76550	1.5
70.76910	0.5
79.05499	6.7
80.94276	0.5
81.07067	28.5
81.96239	0.5
83.08617	2.0
91.05492	11.7
93.07055	14.4
95.08617	39.7
97.10176	1.0
105.07039	41.6
107.08604	28.9
109.10169	28.0
109.11281	0.7
115.05411	0.9
117.06987	1.2
119.08598	28.9
119.43741	0.5
121.09327	0.9
121.10165	12.8
123.11730	6.5
126.05545	0.7
131.08606	2.7
133.10143	23.0
135.11702	3.0
145.10149	2.7
147.11703	60.2
159.11711	1.7
160.12436	0.7
161.13284	15.9
163.30547	0.6
173.05954	1.0
175.07570	0.6
175.14859	7.3
188.08272	0.9
188.10826	0.7
189.11575	1.6
203.03314	0.9
203.07175	0.6
203.10695	2.5
203.17979	100.0
204.13860	13.9
204.18246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1798
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05515	7.5
57.07071	2.6
58.06602	5.7
60.04520	4.0
64.37116	1.0
67.05187	1.2
67.05509	16.2
69.07075	13.2
69.23595	10.3
70.06611	1.3
72.08157	3.3
73.94498	1.1
79.05497	7.9
81.07069	28.2
83.08610	4.6
91.05484	18.4
93.07052	14.8
95.08616	36.7
97.10172	1.2
98.20806	2.1
101.87064	1.0
105.07046	60.2
107.08611	18.9
109.10167	35.1
114.05527	1.4
115.05482	2.8
117.07036	5.3
119.08594	59.9
120.96513	4.9
121.10159	15.7
123.11729	18.9
126.05501	1.5
128.06233	2.6
129.07048	5.9
131.08594	5.3
133.10146	30.4
135.04445	1.6
135.11703	3.5
143.04941	4.8
143.08571	3.1
145.06494	4.8
145.10136	5.6
146.05945	1.3
147.04440	1.3
147.11699	61.4
152.73454	1.2
156.96208	1.3
157.06491	4.9
157.10136	1.6
159.11737	2.1
160.05223	1.5
160.07561	1.5
160.12466	2.9
161.09651	2.9
161.13274	19.6
172.08865	3.3
173.05981	11.8
174.06766	1.3
175.07611	3.3
175.14784	5.8
179.97862	3.7
185.05939	4.1
185.13226	1.5
188.08339	5.0
188.09541	4.0
203.03435	1.6
203.06934	6.9
203.08601	1.9
203.10513	13.4
203.14348	21.8
203.17978	100.0
204.08530	1.4
204.13884	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	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
54.62635	0.8
55.05514	7.2
57.07087	1.2
58.06610	0.9
60.04536	0.9
67.05512	21.8
69.03468	0.8
69.07078	8.7
69.29225	2.3
69.29648	4.2
70.39433	0.8
71.08656	1.2
78.75675	0.8
79.05494	5.1
81.07070	20.1
83.08634	2.7
91.05487	9.0
93.07048	11.1
95.05002	1.1
95.08617	57.1
97.10194	1.8
104.46579	0.7
105.07044	61.0
107.08612	24.3
109.10169	45.4
115.05495	2.3
117.07052	1.3
119.08594	100.0
121.10169	10.3
123.11719	9.6
129.06961	0.9
131.08626	1.4
133.09123	1.7
133.10143	34.6
135.11703	2.9
143.04979	1.0
143.08604	1.4
145.06523	1.4
145.10199	2.7
147.04410	1.6
147.11705	42.8
159.07016	0.7
159.11688	1.0
160.12444	1.1
161.13278	42.6
168.06386	0.8
172.08846	1.6
173.05977	2.2
175.03954	2.0
175.14847	13.8
188.08334	2.8
203.03308	2.0
203.06873	1.3
203.08765	0.8
203.10695	6.3
203.14316	3.1
203.17975	70.2
204.13872	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03949	1.3
55.05514	6.6
57.07080	5.8
60.04524	2.5
67.05183	1.2
67.05508	14.3
69.07076	14.3
69.33469	1.2
71.08641	1.1
71.40511	0.8
72.08149	1.6
74.86241	0.7
79.05489	7.4
81.07065	30.9
83.08624	4.6
91.05486	16.0
93.07049	11.9
95.04969	1.0
95.08615	39.5
95.90532	0.9
97.02937	0.8
97.10197	0.9
103.05514	1.2
105.07040	100.0
107.08599	18.8
109.09389	1.0
109.10165	29.7
115.05447	4.6
117.07031	4.2
119.08593	48.5
121.06499	0.8
121.10150	15.7
123.11720	7.4
128.06238	1.7
129.07021	2.7
131.08580	3.2
133.10136	43.0
135.04446	1.3
135.11681	4.4
138.06729	1.4
139.28377	0.8
142.07784	1.2
143.04944	3.8
143.08568	2.1
145.06499	5.7
145.10126	4.5
147.11702	79.3
157.06558	2.0
157.10103	1.0
159.07994	2.6
159.11700	2.4
159.31560	0.9
160.08864	0.9
160.12476	2.2
161.05971	1.5
161.09729	1.2
161.13277	28.4
162.13673	0.8
171.08072	1.1
172.08835	8.9
173.05981	7.8
175.07570	1.6
175.14851	12.2
185.06007	3.3
185.13283	0.8
188.08325	10.1
201.16412	1.0
203.06966	2.9
203.10689	31.6
203.17975	97.6
204.13925	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	cis-1-(1,2-Dimethyl-3-methylenecyclopentyl)-4-methyl-1,3-cyclohexadiene
Peak:m/z	Relative Intensity
51.02362	1.3
52.20341	1.1
55.01873	1.5
55.05503	4.6
57.07076	2.0
60.04529	9.5
65.55736	1.1
67.05247	1.2
67.05516	12.2
69.07082	8.1
71.08615	1.0
71.52762	1.3
72.08158	2.3
73.36525	1.2
76.12637	1.1
77.03937	1.3
79.05499	11.2
81.03424	6.8
81.07072	23.5
83.08621	2.3
84.04498	2.6
84.08062	1.1
91.05497	13.9
93.07050	16.0
93.40279	1.0
95.04967	2.0
95.08619	35.7
96.04491	1.3
97.02876	1.5
97.10135	1.3
103.05467	3.8
105.03399	2.0
105.04471	1.4
105.07042	54.2
107.08613	21.8
109.09470	2.1
109.10167	26.7
112.34291	1.1
112.99855	1.3
115.05466	56.3
116.05782	1.2
117.07027	20.1
119.08598	27.3
120.96528	1.6
121.10153	15.7
123.11742	5.7
124.50346	1.1
126.05492	2.4
128.06247	4.1
129.07007	6.7
131.04938	6.1
131.08615	2.6
133.10146	32.5
135.04431	100.0
135.11674	3.1
143.04941	47.9
143.05785	0.8
143.08582	5.4
145.06502	37.0
145.07651	1.9
145.10124	7.3
147.11708	51.7
149.66528	1.0
155.04944	1.9
155.06003	8.0
157.10120	2.1
158.07088	1.2
159.04446	1.4
160.05205	3.4
160.08839	1.5
161.06013	5.5
161.13274	14.2
171.08084	4.4
172.05238	2.4
172.08881	6.1
173.06000	73.7
173.09644	5.5
174.06664	1.4
175.07553	8.9
175.14854	7.9
185.05994	53.0
188.04700	1.7
188.08316	9.8
202.07819	2.8
203.03546	1.6
203.07001	16.3
203.08647	4.5
203.10658	39.4
203.14380	8.8
203.17978	73.1
204.08755	2.7
204.13879	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	203.1798
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.99916	0.6
52.54858	0.7
53.03934	1.5
53.25151	0.6
54.55358	0.6
55.05520	4.8
56.25372	0.6
56.71284	0.8
57.07061	0.9
57.32801	0.6
60.04514	0.7
67.05511	13.2
69.07074	10.6
70.63835	0.8
70.64138	1.2
79.05503	8.8
81.03436	0.8
81.07066	27.4
83.08645	3.2
83.09067	0.7
87.19008	0.6
91.05489	14.3
93.07056	17.2
95.08617	37.9
97.10151	0.8
105.07041	39.5
107.07877	1.4
107.08607	27.8
109.10165	30.7
117.07030	1.5
119.08597	32.9
121.10159	15.9
123.11714	8.7
123.53157	0.7
131.08577	2.4
133.10146	25.9
135.11696	4.8
145.10120	4.6
147.04401	0.8
147.11703	57.4
159.11775	1.4
160.12479	3.1
161.13278	15.6
173.06059	0.8
175.14848	6.0
203.10686	2.0
203.17979	100.0
204.18399	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03941	1.2
55.05511	10.5
56.96563	1.0
57.07069	2.1
58.06594	3.8
60.04518	3.3
64.92094	1.0
65.03925	1.4
67.05509	25.9
69.06730	1.5
69.07075	20.6
69.58995	6.1
70.06576	1.0
72.08137	1.6
79.05490	9.1
81.07064	43.7
83.08646	4.8
84.04475	1.0
91.05488	12.8
93.07054	16.1
95.08614	66.4
97.02923	0.9
97.10172	1.1
103.05467	1.3
105.07038	56.4
107.08607	28.3
109.06490	1.0
109.10163	72.1
115.05452	4.6
117.07034	2.9
119.08586	46.3
120.96558	1.2
121.10147	21.2
123.11713	11.2
128.06161	1.3
129.07001	1.2
131.08588	3.4
133.10147	31.4
135.11726	5.7
135.98860	1.4
143.04941	3.9
143.08516	1.4
145.06485	3.3
145.10132	5.0
147.04446	1.8
147.11699	74.7
148.12389	1.4
156.96225	1.7
157.06476	2.1
157.10081	1.1
159.08052	1.3
159.11697	2.2
160.12500	3.4
161.05962	2.2
161.13272	19.6
172.08853	4.5
173.05978	4.8
175.07489	1.0
175.14844	5.8
179.97777	2.6
184.14291	0.9
185.05986	3.6
185.41675	0.9
188.08124	4.9
189.05484	3.0
203.03488	2.1
203.07076	3.1
203.08701	1.1
203.10574	15.4
203.17967	100.0
204.13875	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	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03936	2.3
55.05518	10.2
56.65444	1.2
57.07067	4.4
60.04532	8.5
61.93934	1.1
67.05509	20.0
69.07073	18.0
70.06573	1.2
71.08666	1.2
72.08169	1.2
79.05486	8.7
81.03420	1.8
81.06594	2.2
81.07062	40.0
83.08600	7.0
84.04499	2.8
91.05482	16.2
93.07048	18.6
95.08611	49.2
96.04504	2.0
103.05457	2.4
105.07037	94.3
107.08600	26.6
109.10165	40.7
115.05457	18.9
117.07018	9.0
118.31802	1.2
119.08588	65.3
120.96507	2.3
121.10149	20.3
123.11716	12.0
126.05531	3.0
128.06186	2.8
129.07002	3.1
131.04945	1.4
131.08624	5.6
133.10146	45.6
135.04419	14.0
135.11665	4.5
143.04927	18.6
143.08556	4.5
145.06496	12.9
145.10120	7.6
145.81110	1.3
147.11696	93.3
148.12437	1.2
155.04887	1.7
155.06038	2.9
159.07755	2.7
159.11746	2.1
160.05241	1.7
160.07639	1.6
160.12505	3.2
161.05952	2.2
161.09621	3.1
161.13278	29.2
171.04430	1.3
171.08025	1.9
172.08859	2.0
173.05994	23.5
174.14006	1.5
175.07564	3.2
175.11200	2.3
175.14822	10.5
179.97823	2.3
185.06012	17.5
188.08337	3.8
202.07758	1.6
203.03410	1.2
203.06912	6.4
203.08716	4.4
203.10590	14.0
203.14464	7.8
203.17967	100.0
204.13850	3.6
204.18288	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.02688	0.7
55.05515	6.9
57.07079	5.4
58.06603	5.3
58.07402	1.2
60.04512	2.7
62.06072	2.3
65.03938	1.0
67.05507	13.9
69.07076	10.0
70.06577	1.3
70.20683	2.8
71.08614	1.3
72.08150	3.1
72.08958	0.8
79.05501	5.4
81.07066	25.9
83.08643	3.3
91.04966	1.3
91.05485	12.6
93.07052	11.3
95.05020	1.0
95.08615	54.4
97.10186	1.3
98.21462	0.8
103.05436	1.2
105.07040	48.1
107.08603	17.9
109.10165	37.4
115.05430	1.9
116.95194	0.7
117.07009	1.8
119.08592	44.9
120.96515	1.9
121.10156	20.0
123.11713	19.0
126.05491	0.7
128.06226	0.7
129.06981	1.8
131.08588	3.4
133.10143	28.8
135.04402	2.1
135.11682	4.1
143.04930	1.4
143.08569	1.0
145.10136	6.3
147.11697	60.1
148.12460	0.7
156.96213	1.4
157.10143	1.4
159.11702	1.9
160.05241	1.1
160.12485	2.4
161.13263	14.5
161.96744	1.0
165.00583	0.8
173.05992	1.5
175.03976	1.1
175.07503	1.8
175.14890	4.3
185.05933	1.3
185.13344	0.8
185.20984	2.2
188.04588	1.0
188.09508	1.6
188.15623	1.3
203.06882	4.6
203.10553	3.5
203.17973	100.0
203.22008	30.4
204.13860	1.1
204.18250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
53.32274	0.4
54.34942	0.4
55.05508	2.9
57.07062	2.0
58.06598	2.5
60.04545	2.7
65.03929	0.5
66.55557	0.4
67.05504	2.6
68.05017	0.5
69.07074	10.8
70.06617	0.7
71.53690	0.4
72.08131	1.0
79.05485	1.3
81.07059	5.7
83.08616	4.6
84.04498	0.6
91.05501	5.8
93.07051	3.6
95.08059	0.7
95.08616	9.7
96.04461	0.5
97.06509	1.3
103.05453	2.0
105.03407	0.6
105.07032	13.1
107.08601	5.0
109.10162	6.5
111.26354	0.4
115.05418	0.7
117.07007	1.1
119.04937	0.9
119.08590	9.2
120.96507	2.7
121.10128	2.9
123.11700	1.6
125.13239	0.7
126.05530	0.7
129.03329	2.1
129.07024	0.7
130.06540	0.6
131.04936	9.8
131.08556	1.2
133.10139	8.8
135.11693	1.8
135.98836	0.6
143.14291	0.8
145.10129	1.4
146.05986	0.5
147.04420	46.3
147.11696	21.1
153.12756	2.5
156.96289	1.0
159.04398	3.2
159.11664	0.6
160.07591	0.5
160.12506	0.5
161.13301	4.2
173.05995	0.9
175.03928	12.6
175.07489	1.2
175.14830	1.3
179.97858	1.9
185.02376	1.0
185.09680	0.5
188.08159	1.1
188.09619	1.1
203.03404	100.0
203.10512	3.7
203.14354	2.2
203.17972	26.6
204.03761	0.8
204.08621	0.6
204.13812	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.1
55.05507	0.2
56.96562	0.1
57.03432	0.1
58.06599	1.3
60.04510	0.2
60.08164	6.6
67.05510	0.2
69.03426	0.2
69.07068	0.3
69.23287	0.1
69.33334	0.2
69.33747	0.7
71.05000	0.2
72.08149	0.1
79.05502	0.2
81.07069	0.8
85.02930	0.2
89.50733	0.1
91.05473	0.3
93.07034	0.3
95.08611	0.2
97.02888	0.1
97.06519	0.3
98.97591	0.3
99.04450	0.3
103.05442	0.2
105.07057	0.2
107.08595	0.2
109.06444	0.2
109.10175	0.2
115.05446	0.3
116.04939	0.1
117.07017	2.5
119.08555	0.1
121.10169	0.2
123.08052	0.1
125.05996	0.1
126.94842	0.1
128.04959	0.2
129.07024	0.1
131.05420	0.2
132.02516	0.2
133.10054	0.2
143.00037	0.1
143.07303	1.3
144.08083	100.0
145.05005	0.1
145.06429	0.2
145.08380	0.7
146.05858	0.1
147.04361	0.2
149.09622	0.2
155.06001	0.4
158.05942	0.2
160.07523	0.1
163.02893	0.1
165.35771	0.1
167.10701	0.2
173.06465	0.5
175.11133	0.2
188.06958	0.2
188.09444	0.2
192.73793	0.1
194.06935	0.3
203.03424	0.3
203.07487	1.7
203.12050	0.2
203.15443	7.5
204.10229	0.2
219.01636	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	203.1505
Annotation	SDMA
Peak:m/z	Relative Intensity
57.04568	0.9
58.06598	1.0
70.06597	100.0
71.04989	2.5
71.06126	29.5
71.06940	0.9
71.29639	1.5
72.08171	5.5
84.08138	0.8
84.76605	0.8
86.09718	4.4
86.32240	0.8
88.08762	38.8
97.07650	1.1
112.08747	1.2
115.08685	7.4
116.07101	47.2
119.01957	1.7
126.10236	1.1
131.43633	0.7
133.09718	5.9
143.01889	1.6
158.09282	5.7
158.12912	27.1
161.02968	1.9
172.10829	7.9
203.05255	2.2
203.15053	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	203.1433
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03937	1.5
53.09965	0.4
55.01876	3.1
55.05514	5.4
55.77856	0.3
56.96566	0.5
57.03444	3.3
57.07076	2.1
58.06590	1.3
60.04516	0.8
65.03941	1.7
66.04727	0.4
67.05511	31.5
69.03433	1.7
69.07076	9.6
70.06598	0.4
70.22446	1.3
71.05007	1.6
72.08144	0.4
77.03912	0.5
79.05498	15.1
81.03422	4.3
81.07064	19.2
83.04990	2.7
83.08609	1.0
85.06561	1.7
86.09748	0.4
91.05490	26.1
93.07052	14.2
93.07638	0.8
95.04979	35.8
95.08617	12.9
95.09236	0.5
97.06528	1.7
103.05460	0.8
105.04554	0.4
105.07040	20.8
105.94865	0.3
107.04970	5.5
107.08607	10.3
109.06525	3.3
109.10168	4.0
115.05448	2.5
116.06229	0.9
117.07033	9.6
119.05001	0.6
119.08592	29.4
120.96523	0.9
121.06517	6.5
121.10152	4.1
123.08084	5.1
123.11689	0.6
126.05553	0.5
128.06227	5.0
129.07014	12.9
130.07822	0.5
131.08580	25.7
132.05733	0.5
132.08859	0.4
133.06511	5.8
133.10147	11.7
135.08066	7.3
135.11700	0.9
137.09586	0.6
141.06960	1.0
142.07809	2.9
143.04930	0.6
143.08572	16.6
144.09323	0.8
145.06483	1.6
145.10130	5.1
146.07260	0.6
146.10800	0.3
147.04402	1.3
147.08060	14.9
147.11700	8.0
148.08838	0.9
149.09639	1.7
155.06059	0.5
155.08568	1.6
156.09377	1.7
157.10147	10.8
159.04532	0.4
159.08127	0.8
159.11699	7.2
160.07603	0.4
160.08842	0.4
160.12505	0.4
161.09634	6.9
161.13266	3.8
162.10429	0.4
168.03676	0.4
169.10124	0.4
170.10796	1.6
172.08864	0.8
173.05971	0.7
173.13298	0.5
174.10431	1.0
175.03854	0.6
175.11226	2.0
175.14832	9.1
179.97821	0.7
183.11700	0.7
185.05988	0.5
185.13275	24.5
188.09561	0.8
203.03400	2.6
203.06982	1.0
203.14334	100.0
203.18037	4.2
204.14186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.7
53.03946	1.7
55.01885	3.1
55.05510	6.7
56.93627	0.6
56.96578	0.6
57.03428	2.7
57.07081	3.0
58.06610	3.1
58.06847	0.6
60.04516	2.6
65.03933	2.8
67.05514	32.5
69.03426	2.3
69.06736	0.7
69.07076	11.0
70.06565	0.7
70.50298	1.9
70.50678	0.5
71.04996	1.6
72.08154	1.2
79.05502	17.7
81.03431	5.9
81.07068	20.0
83.04977	2.6
83.05412	0.6
83.08601	1.8
84.04494	1.0
85.06549	1.3
91.05488	29.0
93.07054	15.1
95.04980	30.3
95.08620	17.5
95.09174	0.6
97.02955	0.8
97.06509	1.5
98.21427	0.7
99.78148	0.6
103.05457	1.3
105.07042	26.4
107.04980	5.8
107.08611	12.4
109.06542	3.8
109.09576	0.7
109.10180	7.7
115.05444	4.4
117.07038	10.3
119.04892	0.7
119.08594	34.1
120.96517	2.1
121.06529	6.0
121.10162	5.4
123.08073	4.7
123.11703	1.9
126.05504	1.0
128.06223	6.5
129.07021	12.7
131.04941	0.7
131.07591	1.3
131.08586	25.8
133.06517	5.6
133.10153	17.3
134.07272	0.8
135.04420	1.1
135.08063	7.4
135.11710	2.8
137.09593	1.2
141.06990	0.9
142.07794	2.7
143.04935	1.7
143.08571	17.1
144.09338	0.7
145.06487	2.8
145.08414	1.0
145.10130	4.9
147.04395	3.6
147.08061	16.4
147.11717	15.1
149.09618	1.9
155.06042	0.6
155.08539	2.0
156.09377	1.6
157.10149	11.8
159.11716	6.8
160.07640	0.8
160.08842	0.8
161.05930	0.7
161.09628	7.7
161.13271	6.3
170.10896	3.0
172.08878	0.7
173.06007	2.0
173.13283	1.0
174.10442	1.2
175.03966	1.5
175.11220	2.1
175.14854	9.4
179.79282	0.6
179.97859	1.7
180.50087	0.6
183.11703	0.8
185.05885	1.4
185.13283	21.4
188.09540	1.2
203.03410	7.2
203.10565	2.2
203.14336	100.0
203.17938	14.3
204.08728	0.9
204.14520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27259	1.1
53.03957	1.3
55.01876	2.7
55.05516	10.3
55.93512	1.3
56.05031	3.7
56.96571	19.1
57.03437	2.6
57.07080	24.2
58.06591	2.6
58.07412	2.2
59.04992	1.4
60.04529	13.4
61.02940	1.4
69.03445	5.7
69.07062	1.3
70.06609	5.9
71.04987	1.7
71.51340	1.3
72.04526	1.9
72.08165	26.7
73.02912	3.2
74.09727	100.0
79.05496	3.2
81.03415	1.7
81.07063	6.0
83.04987	1.3
83.06110	2.1
83.08646	7.0
84.04514	89.1
84.08156	11.7
84.96027	4.1
85.02915	13.0
86.09718	6.7
87.04489	2.8
91.05500	10.0
93.07043	1.9
95.01364	1.3
95.06096	1.8
96.04483	1.7
97.02891	9.9
98.06087	1.7
98.97592	31.8
100.04001	6.9
101.00866	3.5
101.04312	3.9
101.09721	1.1
101.94984	1.6
102.05531	5.7
102.96903	1.5
104.07089	1.7
105.07034	4.5
107.08649	1.5
109.02908	1.8
109.06519	1.6
109.10181	1.9
110.01280	2.1
110.97593	6.0
111.09252	1.0
112.03979	1.2
112.11251	19.3
114.05546	3.7
114.62888	1.0
116.07091	2.0
116.98622	11.6
117.07059	1.2
117.66959	1.0
119.01908	8.3
119.04964	13.7
119.08575	2.1
120.96504	3.7
121.06503	4.5
124.99107	2.1
126.05550	2.3
128.02319	2.8
128.03415	2.6
128.06187	1.3
128.98621	4.8
129.03806	4.6
129.06932	1.8
129.13901	13.0
130.05016	39.1
130.08672	1.7
131.01915	1.1
131.08574	1.3
132.10165	2.3
133.06528	2.5
133.10083	1.9
134.99652	2.9
135.98894	1.3
137.02885	1.4
141.11041	1.6
143.00175	2.9
143.01871	2.7
143.04906	1.3
143.08710	1.4
145.03429	1.4
145.06503	1.6
146.99687	1.8
147.03436	2.2
147.04422	57.2
147.11722	1.4
148.04784	1.5
148.97708	1.4
157.07640	1.4
157.10631	6.1
157.13368	19.3
158.08212	1.8
158.11755	2.2
158.99689	11.0
159.12166	5.4
160.05228	1.3
161.01276	6.0
161.02943	3.9
161.06013	2.6
161.09532	1.7
162.05275	2.5
163.07614	1.6
168.05394	1.9
170.99829	1.3
171.05798	2.7
173.04752	2.5
174.05405	1.2
175.07571	2.6
175.11156	2.9
177.00746	7.1
179.97787	2.5
180.06367	1.8
182.05197	5.8
182.55475	2.0
183.03094	12.1
185.09720	1.2
186.11272	76.5
189.00809	2.3
191.05792	12.2
191.55930	2.4
192.03676	6.6
192.05428	1.2
201.00700	3.1
203.03444	5.1
203.05290	3.2
203.07056	6.2
203.11041	15.7
203.13895	20.7
203.17957	2.4
203.22333	2.8
204.08714	3.0
204.11394	1.6
204.13866	1.8
219.01796	8.6
221.01152	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0705
Annotation	2-Hydroxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
53.03947	1.0
55.05508	1.6
59.80062	0.6
60.04530	1.6
64.80570	0.6
65.95596	0.5
67.05513	3.7
68.52126	0.5
69.07082	3.0
72.08167	3.9
77.03931	0.9
79.05505	5.8
81.03433	6.6
81.07065	8.0
83.08624	0.8
84.04521	0.7
90.86394	0.7
91.05488	3.5
93.07048	3.3
95.04963	1.5
95.08614	9.0
103.05461	2.4
105.03394	1.9
105.07039	9.7
107.08605	4.8
109.10166	8.6
112.11188	0.6
115.05466	41.0
117.07024	12.1
119.08588	6.4
121.10171	3.4
122.04251	0.6
123.11714	1.8
127.05453	1.0
128.06215	1.3
128.79749	0.6
129.07002	2.3
131.04947	1.0
133.10147	5.8
135.04427	100.0
135.11685	0.9
137.45560	0.6
143.04932	42.5
143.08566	1.2
145.06496	23.8
145.10112	1.4
147.11691	11.0
150.57582	0.6
155.04926	1.9
155.06055	4.6
157.06470	1.1
157.10072	1.2
159.11713	0.6
161.06017	1.7
161.13304	2.6
172.05228	1.9
172.08887	0.7
173.05998	68.7
175.03941	1.0
175.07532	2.2
175.14856	1.3
184.07559	0.7
185.05992	45.0
188.04761	1.0
188.08342	1.9
203.03465	1.3
203.05289	0.9
203.07051	10.2
203.10757	4.4
203.12357	0.6
203.14137	1.1
203.17967	15.9
203.19775	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0705
Annotation	2-Hydroxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
51.02388	1.0
53.03935	1.2
58.06570	0.8
67.05492	0.9
69.07050	1.7
69.88344	2.4
76.43668	0.7
77.03933	0.9
79.05502	3.5
81.03419	3.3
81.07069	1.6
91.05494	3.8
93.07050	1.6
95.08614	2.8
103.05480	6.2
105.07046	33.6
107.08614	1.1
109.10139	1.5
115.05469	76.4
117.02822	0.7
117.07033	27.5
119.08594	35.7
121.10204	0.9
127.05440	1.9
128.06227	2.8
129.07033	4.4
131.04930	3.0
133.10135	4.9
135.04430	50.2
143.04942	72.5
143.08603	1.7
145.06497	41.0
145.10086	1.0
147.11703	4.3
148.99757	0.7
155.04918	3.7
155.06067	8.6
157.06485	1.2
161.06027	4.2
161.13225	1.7
171.08037	1.7
172.05220	2.2
173.06006	100.0
175.07532	4.3
184.07582	2.3
185.06000	71.8
202.07773	1.6
203.06985	10.5
203.08614	4.9
203.10709	4.6
203.17952	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	203.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26447	0.6
50.42373	0.6
51.34928	0.6
53.03945	1.9
55.05495	0.9
56.35524	0.7
56.86528	0.7
60.04531	1.3
60.08145	0.7
64.98681	0.6
67.05508	3.8
69.07068	3.1
72.08156	7.2
77.03925	1.4
79.05503	6.0
81.03429	6.2
81.07059	7.2
83.08604	1.0
91.05483	5.0
93.07043	4.7
93.49586	0.7
95.04974	1.5
95.08614	9.4
98.20771	1.2
102.86747	0.6
103.05491	2.0
105.03387	1.9
105.07044	9.1
107.08614	4.6
109.06535	0.7
109.10164	9.3
110.40627	0.6
112.11240	1.1
115.05460	48.0
117.07027	15.3
119.08585	8.5
121.10156	3.7
123.11721	1.2
127.05480	0.9
128.06186	1.7
129.07033	3.4
131.04951	1.1
131.08606	1.0
133.10158	6.0
135.04427	100.0
135.11690	1.6
136.04712	0.9
143.04933	41.3
143.08562	1.4
145.06499	24.0
145.10130	1.8
147.11691	11.9
155.04913	1.7
155.06078	3.6
157.06503	1.6
157.10165	1.5
159.11626	1.0
160.05267	1.7
161.06007	2.3
161.09581	1.7
161.13228	3.2
168.89525	0.7
171.04491	0.7
172.05244	1.0
172.08842	1.3
173.06000	68.6
175.07516	3.2
175.11125	0.8
175.14857	1.0
184.07506	0.9
185.05997	47.5
185.13322	1.0
188.04770	0.7
188.08298	1.9
202.07956	0.7
203.03426	1.6
203.05290	1.1
203.07018	8.8
203.08708	1.3
203.10658	6.5
203.14386	3.0
203.17993	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0704
Annotation	2-Hydroxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
51.39363	0.7
52.00471	0.7
53.03989	0.7
55.01915	0.9
55.40012	0.6
67.05544	0.9
69.07108	1.0
69.73654	4.1
77.03983	0.7
79.05137	0.6
79.05495	3.2
81.03416	5.4
81.07113	1.5
91.05036	0.7
91.05552	2.5
93.07148	1.0
95.04996	0.9
95.08659	2.4
103.05476	4.7
105.03465	1.1
105.07018	4.5
107.08643	1.0
109.10219	0.8
115.05461	65.7
117.07024	28.5
117.07842	1.4
119.08627	2.6
121.06563	1.1
121.10246	0.8
127.05484	2.2
128.06232	5.7
129.07007	5.5
130.04152	0.9
131.04922	6.2
131.05663	0.6
133.10158	1.8
135.04424	59.4
143.04929	58.8
143.08568	7.2
145.06494	43.8
145.10115	4.8
147.04425	0.8
147.08058	0.9
147.11690	3.4
149.02298	0.7
155.04922	3.3
155.06061	6.8
157.06502	1.7
157.10211	0.8
159.04483	1.5
159.07997	0.8
160.05188	1.8
160.08847	2.4
161.05989	5.4
161.09677	1.1
161.13304	1.0
162.06808	0.9
171.08086	5.7
172.05226	2.0
173.05991	100.0
173.09491	4.6
174.06688	2.0
175.03920	0.9
175.07552	8.3
175.11137	1.7
184.07533	1.6
185.05988	65.4
186.06334	0.7
188.04674	0.7
188.08322	6.7
202.07735	1.3
203.06993	12.8
203.08647	4.3
203.10643	31.0
203.17981	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	203.0705
Annotation	2-Hydroxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
51.43274	0.5
54.43335	0.7
61.29723	0.6
72.08158	1.4
79.05480	0.7
81.03426	0.8
84.04523	0.7
87.34319	0.6
91.05485	1.5
95.08644	0.6
103.05465	5.3
103.11305	0.7
105.07002	1.4
115.05466	81.6
117.07031	25.2
119.08592	0.9
120.96529	1.0
121.22340	0.6
127.05446	2.3
128.06279	3.4
129.07005	5.8
129.53688	0.6
131.04910	0.9
135.04424	12.0
142.07411	0.6
143.04938	97.2
145.06500	52.8
147.11716	1.0
155.04919	3.4
155.06052	11.5
157.06471	1.8
159.08096	0.9
161.06004	2.7
161.09688	0.8
172.05244	3.7
172.08827	4.2
173.06001	100.0
174.06346	0.7
175.07594	1.2
184.07550	2.0
185.05998	79.4
188.04665	0.9
188.08327	8.1
202.07816	5.0
203.06972	3.6
203.08548	13.2
203.10678	14.4
203.14134	0.8
203.17996	1.6
203.43195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0704
Annotation	2-Hydroxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
53.03938	1.3
55.05505	3.2
55.87483	1.1
57.07050	2.1
60.04519	2.6
67.05509	9.8
69.07068	6.3
70.77149	2.2
70.77475	1.7
72.08130	1.7
77.03882	1.4
79.05508	8.6
81.03434	5.4
81.07059	21.0
83.08599	1.2
91.05485	9.5
93.07050	11.2
95.04950	1.1
95.08615	33.6
99.09190	1.5
99.09808	1.1
103.05450	4.0
105.03416	2.5
105.07038	47.3
107.08610	17.4
109.10166	19.9
115.05460	51.1
117.07031	21.6
119.07806	1.9
119.08593	25.2
120.96490	2.4
121.10149	11.1
123.11701	4.8
126.05531	1.4
128.06229	4.6
129.07018	4.5
131.04939	5.2
131.08577	1.8
133.10150	24.4
135.04430	100.0
135.11719	1.4
141.07030	1.3
143.04938	43.5
143.08571	5.2
145.06494	40.0
145.10123	7.6
147.11699	41.4
155.04933	2.3
155.06058	6.0
157.06494	1.7
159.04428	1.7
159.08087	2.1
160.05148	2.4
161.05981	4.5
161.13300	12.1
171.04417	1.5
171.08055	5.2
172.08844	4.1
173.06003	73.7
173.09616	5.3
174.06683	1.2
175.07585	7.7
175.14908	6.2
179.97833	1.3
185.05992	48.9
188.04692	1.9
188.08307	13.1
202.07748	2.4
203.06949	16.6
203.08633	5.3
203.10641	37.6
203.14394	6.2
203.17972	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50226	0.4
60.95840	0.4
61.59264	0.4
69.30785	0.4
70.05383	0.5
70.34669	0.8
70.35052	1.2
82.01444	0.9
82.99829	3.2
83.99920	1.1
84.08157	1.5
90.43810	0.4
98.97579	1.6
100.02467	0.6
101.00884	43.4
101.97189	0.9
102.00949	15.5
102.96880	2.2
103.00647	1.0
110.35312	0.4
111.00452	0.4
113.00929	0.5
116.98626	0.8
119.01923	100.0
120.02009	34.4
120.97905	0.9
121.01691	2.3
121.02402	0.5
125.02584	1.3
131.01886	1.0
133.03418	0.7
137.02960	19.4
137.91214	0.5
138.03062	6.6
139.02502	0.5
142.03508	4.4
143.01854	1.8
143.03622	16.4
144.02136	0.5
144.03232	0.9
156.97507	0.8
157.03493	1.1
160.04587	1.1
161.02975	20.2
161.04697	3.4
162.03093	13.5
163.02670	1.0
173.02971	0.5
179.00725	0.8
179.04016	25.6
180.04137	19.7
181.03787	1.1
184.04591	0.7
185.02986	0.6
185.04758	0.9
203.02264	0.4
203.04073	0.8
203.05876	1.3
213.74889	0.4
221.01790	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18947	0.4
52.42894	0.5
57.93554	0.9
57.96408	0.4
65.16306	0.5
67.24067	0.4
71.26921	0.7
82.01445	0.8
82.99841	3.4
84.08147	1.0
98.97581	1.5
100.02483	0.8
100.97200	1.3
100.98017	1.2
101.00892	44.8
101.95039	1.9
102.00961	0.5
114.95665	3.7
116.98673	0.8
118.96752	0.7
119.01933	100.0
119.96831	0.6
120.02032	1.6
124.02475	5.7
128.86320	0.4
130.98451	0.4
132.96698	1.0
134.99728	0.5
137.02969	17.6
142.03514	41.6
142.98106	0.4
143.01892	1.8
143.03593	0.6
146.00807	0.4
149.01274	0.7
160.04573	11.3
160.98698	0.6
161.02974	30.9
165.05200	0.5
178.05602	0.4
178.96016	1.6
178.98253	0.7
179.04024	46.5
180.04121	0.7
184.04565	2.9
202.05591	1.8
220.02113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1076
Annotation	L-Dihydroanticapsin
Peak:m/z	Relative Intensity
55.01876	3.7
56.05052	1.4
57.07083	24.6
59.98952	0.8
70.06596	0.8
70.84672	1.8
72.04523	17.9
73.02914	0.7
74.09726	11.0
82.02949	15.7
84.04499	1.8
86.56362	0.7
98.97591	1.4
100.03989	73.2
101.02371	2.7
108.11750	0.7
128.03459	56.5
128.10710	0.8
141.14099	0.6
145.48074	0.7
146.04515	7.5
156.04990	0.7
156.10216	48.8
174.06288	1.1
184.09686	1.9
188.09448	2.3
202.10764	100.0
203.11786	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	203.0341
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
51.02181	0.1
52.28263	0.1
53.03951	0.2
55.05500	0.2
57.07090	0.1
65.03947	0.2
67.05500	0.3
69.07089	0.2
69.99590	0.4
69.99994	0.2
77.03941	0.3
79.05499	0.2
81.07074	0.5
83.08621	0.2
91.05481	2.9
93.07072	0.6
95.04976	0.2
95.08627	0.5
98.20821	0.2
103.05464	1.5
105.03410	0.4
105.04496	0.2
105.07054	1.0
107.08623	0.4
109.10187	0.2
110.30751	0.2
115.05447	0.2
117.07033	0.4
119.04978	0.8
119.08586	2.2
120.96512	0.2
126.56731	0.2
129.03391	1.7
129.07037	0.3
131.04944	9.3
131.08572	0.3
133.02861	0.3
133.10139	0.5
141.50674	0.1
143.08562	0.6
145.06488	0.3
145.10150	0.2
147.04425	48.0
147.11673	0.8
148.04770	0.4
157.02888	0.8
157.10143	0.2
159.03229	0.3
159.04443	3.3
159.11687	0.8
161.09531	0.2
161.13280	0.3
172.08858	0.6
173.06053	0.5
175.03925	12.6
175.14868	0.5
185.02367	0.5
185.13309	1.3
188.08290	0.9
203.03413	100.0
203.10672	2.1
203.14325	2.2
203.17966	1.0
204.03769	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.164
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
53.03949	1.6
55.05519	5.7
57.07076	5.4
67.05234	1.0
67.05514	11.2
69.07082	9.2
70.06591	2.2
71.03149	2.3
71.03472	1.1
71.04984	2.2
72.08169	1.7
74.47717	1.0
79.05493	7.0
81.03399	1.5
81.07066	20.9
81.27663	1.0
83.08620	2.5
90.16679	1.1
91.04968	1.3
91.05490	11.9
93.07059	23.6
95.04993	1.9
95.08620	16.3
97.06535	1.1
101.06075	1.2
105.07039	21.8
107.08608	17.2
109.06500	1.3
109.10186	8.6
115.05477	5.5
116.06270	1.5
117.07030	13.6
118.96774	12.8
119.08585	15.2
121.10152	8.5
123.04388	1.2
123.11732	3.1
127.03936	5.3
128.06224	3.1
128.14349	1.1
129.07014	5.7
130.07800	6.4
131.08583	26.8
133.10147	9.1
133.99104	2.2
135.11700	1.1
136.95396	1.7
137.05974	1.8
141.06973	3.9
141.98340	1.5
142.07674	1.3
143.04941	2.5
143.08563	4.4
144.09323	3.2
145.06468	1.5
145.10139	54.6
146.10893	1.8
147.11760	1.3
150.95740	1.2
154.96478	5.0
155.08873	1.5
157.06506	26.0
157.10117	3.6
158.07283	21.0
158.10892	2.2
159.08240	1.8
159.11720	35.6
159.97026	1.0
161.05962	1.1
165.05476	1.3
169.06503	1.2
171.11656	1.7
172.05171	2.0
172.08839	1.1
173.06042	1.8
173.09622	8.7
173.13290	12.3
177.98087	12.3
183.08124	1.5
183.11980	2.1
185.06053	2.0
186.06773	6.2
200.99796	1.7
201.05284	6.0
201.09128	100.0
201.12975	5.5
201.16408	76.1
202.09351	1.2
202.16832	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1024
Annotation	Harmalol
Peak:m/z	Relative Intensity
54.65395	0.2
55.05504	1.2
56.05034	0.5
56.96576	0.3
57.03438	0.3
57.07069	0.3
59.93103	0.5
60.05634	0.2
67.05520	1.4
68.05038	5.2
69.03428	0.9
69.07068	0.7
69.98531	0.6
69.98940	0.9
70.06587	0.6
71.05013	1.2
72.08153	1.2
76.00195	0.2
79.05497	0.6
81.03452	0.4
81.07062	1.3
82.06577	0.4
83.04982	1.6
84.04519	0.5
84.05309	0.9
84.08144	1.1
85.02901	0.8
86.09695	1.0
91.05475	0.8
93.07047	0.8
94.36083	0.2
95.04973	1.0
95.08614	1.0
97.02911	0.7
97.06557	0.5
98.09679	0.3
98.97604	1.8
99.04464	0.5
99.97940	0.4
100.03983	0.5
101.06000	0.3
105.07037	0.7
107.08578	0.4
109.06512	0.9
109.10172	0.7
111.04470	0.7
112.04796	0.3
113.06039	0.5
115.05480	0.7
116.98632	1.0
117.05738	0.4
117.07020	0.5
118.96786	5.2
119.08611	0.9
123.08091	0.5
125.05981	0.3
127.03921	0.9
127.09495	0.5
129.07014	1.2
131.08612	0.3
132.08104	0.8
133.99139	1.5
134.06020	0.4
134.99626	0.8
136.00060	0.3
136.95378	0.5
137.05942	0.4
137.09622	0.8
141.01155	1.0
141.05550	0.3
145.06543	0.5
145.10159	0.9
146.06046	0.7
147.07991	0.5
147.11658	0.3
150.95757	0.5
154.96492	2.2
155.07077	0.5
155.09024	1.2
155.10696	0.3
156.08083	0.8
156.10185	0.3
157.06496	0.3
158.06026	1.6
158.07210	0.4
159.97041	0.5
160.07597	16.4
165.05551	0.4
165.09114	0.8
172.07573	0.4
173.05933	0.5
173.07237	0.5
173.09541	0.3
173.13225	0.2
174.09174	0.4
177.98080	5.3
183.06685	0.9
183.10332	0.5
183.12105	0.9
184.07593	4.2
185.07039	0.6
186.07878	2.3
201.10258	100.0
202.10500	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0912
Annotation	3-methoxy-5-phenylphenol
Peak:m/z	Relative Intensity
50.83308	0.2
55.15045	0.2
56.72915	0.2
66.77761	0.2
67.02116	0.2
67.66270	0.3
69.07072	0.4
69.27453	0.9
69.27895	1.2
73.84165	0.2
79.05540	0.3
81.07063	0.4
91.05524	0.5
93.07053	0.7
95.08603	0.4
105.07037	0.8
107.08679	0.6
115.05455	2.2
116.06219	0.8
117.07043	0.8
119.08619	0.7
121.10138	0.3
124.47569	0.2
128.06187	1.4
129.07018	2.6
130.07825	2.9
131.08575	1.0
133.10158	0.4
139.05452	0.4
140.06265	1.5
141.06999	1.6
143.04945	1.4
143.08617	0.4
144.05719	0.4
145.06538	0.5
145.10121	2.4
156.05740	0.5
157.06505	33.9
158.07288	19.8
158.08670	0.2
159.11702	1.6
161.06013	0.5
171.04391	0.9
171.09836	0.2
172.05200	1.7
173.05998	0.3
173.09589	0.4
173.13278	0.9
177.98166	0.3
185.05995	2.1
186.06773	6.6
201.05429	3.9
201.09123	100.0
201.16345	2.4
202.09514	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0912
Annotation	3-methoxy-5-phenylphenol
Peak:m/z	Relative Intensity
55.01884	0.2
71.52547	0.2
81.07082	0.2
83.95716	0.1
91.05482	0.3
95.08628	0.2
107.08643	0.2
115.05465	2.3
116.06245	0.8
117.06957	0.3
119.04945	0.1
127.03859	0.2
128.06239	1.4
129.07027	3.0
130.07806	3.4
131.08546	0.2
139.05446	0.5
139.33122	0.1
140.06212	1.9
141.06993	1.2
141.20415	0.1
141.90009	0.2
142.07750	0.3
143.04930	1.8
143.08586	0.2
144.05786	0.4
145.06506	0.4
145.10155	0.6
147.87090	0.1
155.04916	0.4
155.08621	0.1
156.05753	0.8
157.06506	36.8
158.07291	20.1
159.07835	0.2
159.11702	0.4
161.05986	0.5
168.05740	0.2
171.04449	0.8
172.05241	1.5
173.05978	0.4
173.09647	0.4
177.98102	0.3
185.05984	3.1
186.06778	7.7
201.05432	4.4
201.09125	100.0
202.09422	1.3
209.19107	0.2
215.57701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0913
Annotation	Dehydrotremetone
Peak:m/z	Relative Intensity
50.83645	0.3
52.91958	0.2
69.63213	0.4
69.63609	0.8
77.89837	0.2
81.07075	0.2
86.29027	0.2
95.08610	0.2
95.36665	0.2
105.07023	0.3
115.05444	1.4
116.06262	0.8
117.06970	0.3
118.96782	1.0
128.06209	1.5
129.07022	2.5
130.07806	2.4
130.45833	0.2
131.08600	0.3
133.99173	0.3
136.95433	0.3
139.05455	0.3
140.06216	2.1
141.06992	1.5
143.04945	1.0
145.10153	0.8
154.96513	0.3
156.05707	0.6
157.06508	32.2
158.07292	18.3
158.08650	0.3
159.07718	0.3
159.11714	0.5
159.97131	0.3
161.06044	0.4
171.04410	0.3
172.05234	1.5
177.98088	0.8
185.05978	3.1
186.05112	0.5
186.06776	6.7
201.09126	100.0
201.16321	1.5
202.09471	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96162	0.4
90.14700	0.2
108.02636	0.2
115.05459	1.3
116.06225	0.7
117.06998	0.3
118.96761	1.5
128.06236	1.2
128.14351	0.3
129.07030	2.8
130.07816	2.7
131.08624	0.3
133.99095	0.3
139.05466	0.4
140.06197	1.3
141.07001	1.8
143.05016	1.2
144.05717	0.3
145.06517	0.4
145.10144	0.5
151.84213	0.3
155.04953	0.4
155.08974	0.4
156.05679	0.7
157.06497	33.7
158.07289	18.1
159.07622	0.4
159.11711	0.5
161.06015	0.6
169.05144	0.3
171.04428	0.7
172.05191	1.7
173.05966	0.3
177.98123	1.2
185.05981	2.9
186.06778	6.0
187.07448	0.4
191.89458	0.3
201.09114	100.0
202.06258	0.3
202.09505	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0912
Annotation	Dehydrotremetone
Peak:m/z	Relative Intensity
56.11829	0.2
57.59890	0.2
59.48476	0.2
63.05339	0.2
70.55155	0.7
81.61111	0.2
115.05452	1.6
116.06233	0.7
118.96767	0.3
124.92048	0.2
128.06209	1.5
128.14355	0.7
129.07014	3.0
130.07802	3.1
139.05447	0.5
140.06204	1.9
141.07021	1.8
143.04936	0.8
144.05757	0.3
145.10132	0.3
155.14636	0.3
156.05717	1.0
157.06500	35.9
158.07281	20.0
159.11710	0.4
161.05995	0.6
169.06418	0.3
171.04445	0.6
172.05171	1.7
177.98035	0.4
185.05983	4.1
186.06781	8.9
201.09119	100.0
202.09459	1.3
214.71251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
56.96561	0.2
57.07059	0.4
57.20503	0.2
57.93552	0.3
59.93083	0.7
67.05492	0.5
69.07069	0.4
70.14252	0.6
72.08126	0.3
77.94149	0.5
79.05474	0.9
81.07043	0.5
83.04988	0.4
91.05479	0.8
93.07032	0.7
95.04961	0.4
95.08610	0.5
100.95685	0.3
103.05403	0.3
105.07034	1.5
107.05035	0.3
107.08581	1.1
111.04468	0.3
115.05451	1.5
116.06237	0.8
117.07000	0.7
118.95985	0.4
118.96774	5.7
119.08581	0.9
127.03896	0.3
128.06223	1.2
128.14333	0.7
129.07001	2.9
130.07813	2.6
131.08577	1.4
132.96700	0.3
133.10130	0.5
133.99060	1.3
136.95398	0.7
139.05405	0.5
140.06171	1.5
141.06958	2.0
141.98352	0.7
143.04898	0.8
143.08582	0.4
144.05659	0.4
145.06476	0.6
145.10139	2.6
150.95654	0.6
154.96465	1.9
155.07033	0.5
156.05664	0.8
157.06496	33.5
158.07277	18.8
159.07954	0.3
159.11705	1.4
159.97057	0.9
161.05971	0.9
172.05188	1.8
173.05916	0.6
173.09605	0.7
173.13266	0.7
177.98070	4.9
183.06519	0.3
183.11798	0.4
185.05992	3.3
186.06770	5.6
187.07521	0.4
200.99687	1.3
201.09109	100.0
201.16347	3.4
202.09402	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0912
Annotation	Dehydrotremetone
Peak:m/z	Relative Intensity
57.07066	0.3
57.46693	0.3
71.63259	0.2
81.07062	0.8
85.02925	0.3
91.05479	0.4
93.07053	0.6
95.08623	0.7
105.07034	0.7
107.08583	0.2
109.10166	0.3
115.05457	3.1
115.06179	0.3
116.06252	0.7
117.07040	0.8
118.96774	0.7
119.08571	0.8
127.03941	0.4
128.06189	1.2
129.07013	3.0
130.07800	2.8
131.08577	0.8
139.05444	0.4
140.06189	1.7
141.07019	2.0
143.04916	1.5
144.05663	0.3
145.06525	0.4
145.10144	1.9
155.04962	0.4
155.08865	0.4
156.05714	0.8
157.06503	34.6
158.07288	19.4
158.08667	0.3
159.07826	0.3
159.11719	1.7
161.06042	0.5
169.06381	0.3
171.04451	0.8
172.05208	1.6
173.06017	0.8
173.13281	0.4
177.98100	0.5
184.03514	0.4
184.04990	0.3
185.05988	2.8
186.06763	6.8
201.05548	6.3
201.09119	100.0
201.16359	3.1
202.09444	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0912
Annotation	Dehydrotremetone
Peak:m/z	Relative Intensity
53.50788	0.1
59.93092	0.1
69.76270	0.1
73.50626	0.2
77.94125	0.2
79.95798	0.2
104.06258	0.2
107.08601	0.2
115.05452	2.9
116.06248	0.8
117.07004	0.3
118.96770	1.3
119.08614	0.2
128.06175	1.8
129.07022	5.7
130.07794	6.2
131.08620	0.3
133.99124	0.3
136.95418	0.3
139.05435	0.4
140.06219	2.1
141.06982	1.7
143.04927	1.8
143.08594	0.2
144.05653	0.6
145.06519	0.3
145.10126	0.6
155.04933	0.6
155.06032	0.2
156.05681	1.1
157.06497	41.1
158.07283	28.2
159.07617	0.4
159.11728	0.4
159.97009	0.3
161.05992	0.5
169.06459	0.3
171.04437	1.2
172.05206	1.3
173.09587	0.3
177.98111	0.9
184.05136	0.2
185.05988	4.0
186.06775	19.7
187.07068	0.4
201.09114	100.0
202.06348	0.2
202.09448	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40845	0.2
55.05547	0.2
57.07091	0.6
59.93120	0.3
67.05509	0.3
69.07063	0.4
70.83265	0.5
81.07066	0.5
81.82986	0.2
83.36860	0.2
93.07070	0.2
95.08658	0.5
98.97601	0.2
101.06117	0.2
101.59416	0.2
105.07035	0.5
115.05495	1.1
116.06228	0.7
117.07029	0.3
118.96771	3.4
119.08596	0.3
125.67910	0.2
127.03898	0.6
128.06241	1.3
128.14377	0.3
129.07008	2.7
130.07813	2.0
130.58186	0.2
131.04909	0.2
133.99092	0.9
136.95448	0.4
137.05960	0.4
139.05452	0.5
140.06232	1.6
141.06999	1.8
141.98378	0.2
142.07816	0.4
143.04939	0.9
143.08603	0.2
144.05739	0.3
144.08107	0.8
145.06499	0.4
145.10153	0.7
150.95644	0.2
154.96498	1.3
155.04962	0.3
155.08940	0.7
156.05757	0.6
157.06508	31.1
157.67485	0.2
158.07292	17.3
159.11720	0.5
159.97023	0.7
161.05968	0.6
171.04433	0.5
172.05212	1.6
173.09572	1.0
173.13179	0.2
177.98091	2.5
183.12033	0.4
185.06007	2.1
186.06786	3.7
201.09122	100.0
201.24104	1.7
202.09485	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0911
Annotation	3-methoxy-5-phenylphenol
Peak:m/z	Relative Intensity
56.96573	0.2
58.38726	0.2
59.93093	0.3
67.05505	0.3
70.43961	0.6
72.22425	0.2
74.42341	0.2
79.05460	0.3
81.07055	0.3
89.18790	0.2
93.07079	0.3
95.08604	0.3
102.54160	0.2
105.07007	0.4
107.08621	0.3
115.05459	2.9
116.06264	1.3
118.96780	2.0
119.08620	0.3
128.06241	1.7
128.14301	0.2
129.07027	5.5
130.07809	5.7
133.99115	0.5
136.95462	0.4
139.05449	0.4
140.06210	1.7
141.07002	1.6
143.04945	2.2
144.05765	0.7
145.06523	0.4
145.10136	0.8
145.86679	0.3
154.96486	0.5
155.04941	0.9
156.05731	1.2
157.06508	40.6
158.07289	27.3
158.08641	0.6
159.07626	0.2
159.11702	0.6
159.97044	0.5
161.06010	0.4
170.07303	0.4
171.04445	1.3
172.05252	1.2
173.09602	0.4
177.98122	2.1
182.91373	0.3
184.05110	0.3
185.05989	3.6
186.06781	19.2
189.06128	0.2
200.16451	0.2
201.09123	100.0
201.16338	1.2
202.09476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0912
Annotation	3-methoxy-5-phenylphenol
Peak:m/z	Relative Intensity
55.05517	0.3
59.93113	0.5
63.39463	0.3
69.07082	0.3
69.52386	0.3
69.99242	1.1
73.79140	0.2
75.14644	0.2
77.94148	0.3
81.07038	0.4
91.05478	0.3
93.07028	0.3
95.08581	0.6
96.81474	0.3
107.08576	0.3
109.10128	0.3
112.17155	0.3
115.05466	1.9
116.06258	0.7
117.07014	0.4
118.96774	3.2
119.08583	0.7
127.03918	0.6
128.06252	1.3
129.07030	3.2
130.07805	3.3
131.08614	0.5
133.99098	1.1
136.95387	0.3
139.05496	0.4
140.06239	1.6
141.07014	1.6
143.04893	1.5
143.08588	0.3
144.05722	0.3
145.10126	1.0
154.96458	1.2
155.09073	0.3
156.05717	0.6
157.06508	31.9
158.07297	19.0
159.07811	0.3
159.11717	0.5
161.06006	0.5
165.05603	0.3
170.07161	0.3
171.04466	0.4
172.05244	1.9
173.09583	0.6
173.13292	0.3
177.98116	3.1
183.11978	0.4
185.05980	3.3
186.06783	7.9
201.09126	100.0
201.16371	1.4
202.09554	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.091
Annotation	3-methoxy-5-phenylphenol
Peak:m/z	Relative Intensity
55.05507	0.4
56.96568	2.7
57.03436	0.3
57.07072	0.6
58.06594	0.3
59.21909	0.2
59.93118	0.6
61.16956	0.2
67.05508	0.7
69.07069	1.4
71.53662	0.4
72.08155	0.3
74.78223	0.2
77.94159	0.4
79.05492	1.4
81.07059	1.3
83.08644	0.2
91.05487	0.8
93.07042	0.9
95.04995	0.5
95.08605	1.2
95.95178	0.3
100.73730	0.2
100.95694	0.3
101.62651	0.2
105.07059	1.1
107.08601	1.5
109.10184	0.5
111.12883	0.2
113.06050	0.3
114.05536	0.3
115.05457	1.8
116.06237	0.5
117.06998	1.1
118.96770	7.2
119.08572	1.1
121.06571	0.2
123.60891	0.3
127.00671	0.5
127.03962	0.3
128.06192	2.0
128.14351	0.4
129.07013	3.5
130.07802	3.1
131.08574	1.0
132.96674	0.3
133.10162	0.6
133.99127	1.8
136.61304	0.3
136.95435	0.8
137.05975	0.5
139.05408	0.6
140.06247	1.5
141.07019	2.2
141.98323	0.3
142.07820	0.5
143.04916	1.0
143.08563	0.4
144.05710	0.6
145.01744	0.9
145.06506	0.5
145.10132	2.3
147.11719	0.6
150.95717	0.6
154.96477	1.9
156.05701	0.6
157.06494	36.9
158.07280	21.5
158.08670	0.4
159.11740	1.5
159.97037	0.9
161.05978	0.8
163.02835	1.7
171.04384	0.6
172.05208	1.7
172.06494	0.3
173.09688	0.5
173.13269	0.6
175.11194	0.6
177.96492	0.4
177.98073	7.5
183.06531	0.4
185.05984	3.2
186.06775	7.5
195.08144	0.2
200.99690	0.9
201.09109	100.0
201.16335	2.4
202.09462	1.5
221.97150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1329
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.02914	0.8
55.05513	15.8
56.05841	2.4
56.96555	1.3
57.03433	1.1
57.07079	6.6
57.90029	0.9
57.93569	4.9
58.06599	0.9
66.04723	6.6
67.05502	2.5
69.03426	0.9
69.07071	7.7
69.58452	0.7
70.06581	1.0
70.07410	1.9
70.49894	0.8
70.63528	1.7
70.63870	0.8
71.05009	1.1
72.04520	3.9
74.09722	28.7
75.94608	3.2
79.05506	3.8
81.07072	4.3
81.35796	0.7
83.04980	6.6
83.08633	4.8
84.08963	2.2
85.06553	3.2
86.06077	0.9
91.05482	1.9
93.07056	6.6
93.95666	1.2
94.04204	3.5
94.07370	1.3
95.04984	2.2
95.08591	5.4
96.08142	1.0
97.06545	3.6
97.10229	1.1
98.10520	1.8
98.96191	1.3
98.97588	6.2
100.07629	8.3
100.66510	0.9
105.07040	2.2
107.08603	11.2
109.06534	2.0
109.10159	2.3
111.04446	58.7
111.08106	2.3
111.11738	2.1
116.97228	44.5
116.98492	4.5
117.07085	1.3
119.08641	1.4
121.06544	1.3
121.10179	1.9
125.02353	0.9
125.05997	16.0
125.06859	1.2
127.07555	1.6
128.14163	0.8
131.99565	11.5
134.95883	7.1
134.99664	2.7
135.08064	8.6
135.11690	12.0
137.13348	1.2
139.07552	1.8
139.98816	2.8
140.04732	4.2
143.08629	2.1
145.10126	9.3
148.96176	3.9
152.96913	13.5
153.12778	3.6
155.07100	1.3
157.10100	2.1
157.97479	4.3
158.01369	0.9
158.15436	1.8
163.11180	10.7
167.34961	0.8
175.98541	42.9
181.12247	23.8
193.99599	1.1
199.00186	5.4
199.08823	0.9
199.11310	3.3
199.14908	2.8
199.18913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	5.2
57.03446	0.4
61.02924	0.3
69.03445	0.4
69.26711	0.3
70.06599	0.9
71.95271	2.1
73.02927	1.0
80.45888	0.3
81.20772	0.3
85.02924	1.1
90.94669	0.3
97.02897	0.5
98.21616	0.6
98.97593	100.0
99.97948	0.3
100.07642	1.6
100.08215	0.3
101.00811	0.3
110.01318	0.9
110.97591	0.9
116.98633	37.9
119.01785	0.3
128.07086	3.4
128.98608	0.5
131.01855	0.7
134.99664	9.1
140.00204	2.7
140.02345	0.4
140.98616	0.3
146.02388	0.6
147.36615	0.3
148.57600	0.3
153.00728	0.3
155.02838	0.4
158.01270	2.0
158.99625	1.5
161.02942	0.4
170.03363	0.4
170.99673	0.7
177.00713	4.0
195.01811	1.2
200.04274	0.7
219.01884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01874	4.0
55.05515	6.5
57.03447	2.6
57.07080	1.6
57.93574	2.0
67.05495	1.6
69.03430	2.1
69.07071	5.9
70.07405	1.2
70.83395	0.5
70.83711	1.2
71.05004	3.4
71.05332	0.5
72.04546	1.4
74.09725	11.4
74.10124	1.1
75.94609	1.7
77.03945	1.1
79.05489	4.1
81.07062	5.2
83.04972	1.7
83.08627	7.9
89.06037	2.2
91.05492	11.0
93.07052	100.0
94.07375	0.9
95.04976	2.5
95.08621	1.6
96.01041	0.6
96.20475	0.6
97.10129	0.7
98.96154	0.8
98.97584	4.4
100.07623	3.1
105.04565	1.2
105.07016	3.7
107.08606	8.5
109.06541	0.7
111.04435	2.0
111.08090	23.2
111.11729	0.6
116.97231	20.4
116.98643	2.3
117.37335	0.6
119.08631	0.9
121.10152	39.8
123.08079	1.9
125.09676	1.5
129.07095	0.6
131.08624	0.8
131.99577	5.8
134.95848	4.2
134.99690	0.7
139.11197	4.6
139.98804	1.5
140.04745	2.6
143.07137	0.8
143.08569	0.6
148.96269	1.8
149.09610	6.1
152.96944	6.1
155.07120	0.8
157.06534	0.9
157.10281	0.8
157.97444	3.7
167.10701	5.3
170.98038	0.8
171.08142	0.7
175.98547	20.6
181.12315	2.0
189.23784	0.6
199.00166	2.7
199.07539	0.7
199.11224	2.3
199.13142	1.3
199.18913	42.7
219.94922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1119
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
55.01859	0.8
55.05513	8.9
57.93558	1.8
65.03930	0.9
67.05517	3.9
69.07069	1.5
70.54418	1.9
70.54755	1.1
74.09731	7.5
75.94605	0.7
79.05490	2.9
81.07073	0.9
83.08614	1.6
91.05489	2.5
92.72629	0.9
97.10184	0.8
98.97584	2.3
100.07610	1.6
103.05447	2.0
105.03345	1.3
105.07031	2.0
106.56903	0.8
107.04962	12.8
107.08598	1.4
115.05458	4.3
116.97240	12.3
116.98608	1.7
117.07021	2.3
128.06241	15.5
129.07014	43.8
131.04915	7.5
131.99585	3.3
134.95877	3.1
140.04659	1.4
141.06978	4.8
142.07782	2.8
143.08580	16.2
143.11800	0.9
144.05708	3.5
145.06497	12.7
152.06239	0.9
152.96931	3.5
153.07025	3.6
155.06059	2.1
155.08589	2.6
156.05737	1.0
156.09369	7.1
157.06497	79.2
157.97481	2.2
158.07292	20.3
159.08028	1.9
165.07069	5.2
166.07791	7.1
167.08681	2.0
169.06487	15.2
169.07829	1.3
170.07269	14.6
171.08061	41.8
171.11682	12.5
175.98531	9.9
179.08476	1.6
181.10112	6.0
182.07326	1.7
183.08055	8.5
184.08853	39.3
197.09648	3.0
199.00096	1.3
199.11192	100.0
199.18919	26.7
200.07004	1.4
200.11427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01881	4.3
55.05514	10.3
56.05843	1.6
57.03434	1.6
57.07069	2.9
57.93571	6.1
58.07427	0.7
58.86795	0.8
62.28174	0.9
67.05503	1.7
69.03436	2.6
69.07075	9.7
70.07408	2.0
71.04991	4.7
71.53084	1.1
72.04529	3.3
72.08163	1.0
74.09295	1.4
74.09723	29.1
75.94608	3.6
79.05493	5.1
81.07054	6.0
82.41605	0.8
83.04987	2.9
83.08631	9.5
84.08949	1.4
86.06068	1.4
89.06065	2.0
91.05482	10.6
93.07049	100.0
93.95658	1.8
94.07379	1.5
95.04975	3.3
95.08619	2.4
97.06570	1.4
97.10185	1.2
97.86090	0.9
98.10502	1.5
98.96193	2.2
98.97582	5.3
100.07617	8.8
105.04536	1.4
105.07040	3.6
107.08606	8.1
109.06525	1.0
111.04461	3.8
111.08089	24.4
111.11698	1.9
113.98476	0.9
115.05463	1.0
116.97233	58.0
116.98621	2.9
119.08674	1.1
121.10156	40.3
123.08065	1.6
125.09698	1.4
128.06268	2.6
129.07050	2.6
131.99567	17.1
134.95863	8.0
134.99634	1.1
135.08089	0.9
139.11168	4.6
139.98796	5.1
140.04724	4.0
143.07024	1.2
143.08588	2.9
148.96133	5.3
149.09639	7.6
152.96944	18.8
157.06596	1.2
157.10187	2.2
157.97481	5.2
164.76387	0.9
167.10706	6.2
170.97969	1.9
171.08040	1.4
175.98549	55.7
181.12251	2.0
199.00165	8.8
199.02016	1.7
199.03860	1.2
199.07616	3.3
199.11310	4.1
199.13249	2.0
199.15001	3.5
199.18921	97.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81655	0.1
54.23229	0.1
56.35300	0.1
58.06608	0.2
60.08170	25.4
67.04265	0.3
68.05035	6.0
70.63559	0.3
95.06100	100.0
96.06435	0.5
98.21201	0.2
111.05564	0.9
126.94690	0.1
139.05029	0.4
152.70618	0.1
154.13406	31.9
165.08980	0.4
180.11269	0.3
198.12404	10.6
198.18521	0.3
199.12698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.4
55.05517	36.7
57.07076	13.9
67.05182	2.5
67.05515	35.5
67.73640	1.5
69.03426	2.9
69.07074	27.6
70.60669	2.5
70.60990	3.0
70.95876	30.0
71.04995	2.7
71.08626	4.1
72.08160	4.4
72.93802	15.1
73.30997	1.5
79.05499	6.7
80.06190	1.6
81.03391	1.8
81.07066	72.1
83.05000	2.4
83.08628	31.6
83.23462	1.6
85.06529	3.6
85.10172	1.9
88.96884	3.3
91.05467	4.3
92.31084	1.6
93.07050	6.9
95.04963	4.0
95.08617	84.6
96.96089	2.0
97.10185	31.0
98.51499	1.4
99.08082	4.8
105.03374	2.5
105.07019	5.9
107.08598	15.0
109.06520	3.4
109.10168	96.6
111.98485	41.3
113.96423	3.2
114.94782	3.1
119.08585	2.1
121.10149	4.3
123.08066	2.8
123.11724	100.0
125.05984	4.7
129.99547	13.2
132.95854	84.4
133.10124	10.4
135.11685	5.9
137.05992	11.5
137.09598	3.1
137.13268	34.7
150.96902	59.0
151.03885	2.9
151.07539	1.9
153.14729	3.5
155.97441	58.8
155.98726	3.3
161.09650	6.1
161.13306	2.0
169.06537	2.3
169.10205	2.0
173.98514	67.9
179.07169	1.9
179.10716	13.2
179.17973	23.9
197.00113	5.1
197.06013	6.0
197.08047	2.7
197.10025	3.0
197.11743	15.6
197.13593	4.4
197.17386	2.5
197.19077	5.2
198.11218	1.9
198.18565	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1539
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
50.99102	0.5
53.03944	1.2
55.01870	1.9
55.05516	25.9
57.03449	4.6
57.07073	2.1
59.04993	1.4
67.05511	28.4
69.03436	0.9
69.07073	27.6
70.28969	0.6
70.75651	0.6
70.83275	0.8
70.83597	1.2
70.95858	0.8
71.05000	10.4
73.06578	1.6
79.05498	14.7
81.07063	79.1
83.04991	6.2
83.08624	22.6
85.06026	0.6
85.06551	12.3
91.05489	17.1
91.67504	0.7
93.07054	22.0
95.04984	0.9
95.08616	100.0
97.06538	19.1
97.10171	9.5
99.04474	0.6
99.08093	4.3
101.06026	1.4
105.07040	25.5
106.61883	0.6
107.08607	11.3
109.06522	4.0
109.10168	6.2
111.08118	3.6
113.06019	0.6
113.09644	1.2
115.07582	2.1
117.07024	1.6
119.08590	38.9
121.10159	12.3
123.08083	9.2
123.11710	1.0
125.09639	0.7
127.07568	1.7
132.95853	2.1
133.10147	26.5
135.11697	23.6
137.09625	2.8
137.13268	31.1
141.09120	2.0
148.14000	0.6
149.13335	0.7
150.96941	0.7
151.11282	0.7
151.14854	1.4
151.69820	0.5
155.97458	1.1
156.90828	0.6
159.11697	0.7
161.13269	79.8
162.13609	0.9
173.98502	1.4
179.14325	48.4
197.15392	12.2
198.18567	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1539
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.03939	3.2
55.01879	3.0
55.05517	32.0
55.93529	1.2
57.03432	5.3
57.07075	5.6
59.05000	1.6
60.08688	1.5
61.37680	1.1
67.05513	31.3
69.03432	1.9
69.06725	2.3
69.07076	29.0
70.06587	1.5
70.95869	15.7
71.05012	12.3
72.93797	6.9
73.02924	1.3
73.06573	1.4
79.05500	20.2
81.07063	82.8
83.04985	5.8
83.08627	23.2
85.06551	12.3
88.96920	1.9
91.05488	19.0
93.07059	25.7
95.04977	4.1
95.08617	100.0
97.06540	22.2
97.10182	10.7
99.08100	6.2
101.06067	1.7
105.07041	27.4
107.08606	15.3
109.06528	7.1
109.10165	7.8
111.08086	5.9
111.98486	16.5
113.09617	1.6
115.07549	1.6
117.06959	1.6
119.02989	1.2
119.08599	42.1
121.10168	12.9
123.08047	9.8
123.11730	2.2
127.07584	3.0
129.99524	5.8
131.08653	1.3
132.95847	36.9
133.02942	1.4
133.10143	35.4
135.10709	2.0
135.11705	28.5
137.05992	2.6
137.09656	3.8
137.13269	28.0
141.09142	1.5
149.13492	1.4
150.96916	23.0
151.03928	2.8
151.07494	1.6
151.11279	1.8
151.14803	2.4
155.97440	24.9
161.09679	3.3
161.13271	84.2
167.08662	1.8
169.10069	1.9
173.98502	28.4
179.08714	1.2
179.10751	6.2
179.14334	46.9
182.07269	1.5
182.10927	2.7
197.00214	2.8
197.05984	3.6
197.07823	1.4
197.09595	3.9
197.11740	5.6
197.13321	4.0
197.15309	13.8
198.18524	15.5
199.07915	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.01868	2.6
55.05506	3.6
55.93510	1.3
57.07067	1.4
58.06589	3.4
59.04995	2.4
67.05517	6.2
69.03426	1.5
69.07062	2.2
70.95867	24.1
71.04993	1.9
71.38331	1.5
72.93797	12.8
79.05493	5.7
81.07061	6.2
83.05007	1.7
83.08624	1.2
85.06550	1.5
88.96901	2.9
90.27510	1.3
90.94810	3.9
91.05488	16.5
93.07054	19.9
95.04988	8.8
95.08622	6.6
97.06513	1.6
98.97550	1.4
99.04442	2.0
105.03397	2.5
105.07042	23.8
107.04897	1.4
107.08601	56.9
109.06512	9.6
109.10143	4.6
111.04467	1.2
111.97738	1.9
111.98486	30.8
112.61794	1.0
113.06032	1.5
113.96384	3.6
114.85134	1.1
114.94807	1.5
117.07058	1.5
119.04923	3.0
119.06031	1.1
119.08594	8.6
121.06506	4.7
121.10204	1.2
123.04428	4.8
123.08093	2.6
123.11726	3.2
125.05997	3.7
125.78510	1.2
129.99506	7.8
131.08611	1.6
131.97455	1.2
132.95844	65.1
133.06451	1.7
133.10144	57.0
135.08057	2.5
135.11705	48.1
137.06003	5.3
137.09633	5.7
140.04666	4.1
141.05434	1.2
146.07277	1.5
150.96901	43.5
151.03922	2.3
151.07587	2.3
151.11183	5.1
155.07039	8.2
155.97437	48.8
159.06778	2.5
161.09624	29.8
165.05479	1.5
173.98511	48.4
179.07233	2.3
179.10686	100.0
197.00114	4.2
197.11745	82.8
198.18578	3.6
198.54948	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1175
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.01865	0.6
55.05512	1.4
55.93538	0.6
57.03448	0.7
57.07093	0.5
59.04989	0.9
65.03956	0.6
67.05511	2.3
69.07075	0.8
69.62520	2.2
69.62932	0.9
70.95865	7.4
72.93787	4.5
79.05509	2.4
79.42532	0.5
81.07066	3.4
83.05019	0.6
88.96906	0.9
90.94846	0.7
91.05486	11.8
93.07050	7.8
95.04984	2.0
95.08632	2.3
97.06550	0.6
97.26257	0.6
98.20733	0.6
105.07044	18.7
107.04942	0.9
107.08606	100.0
109.05914	0.5
109.06544	3.5
109.10175	5.5
111.04455	0.5
111.98478	11.0
113.96436	1.5
114.94837	0.6
115.05499	0.7
117.07040	0.5
119.05045	0.7
119.06085	1.8
119.08593	6.0
121.06531	2.7
121.10178	1.8
123.08106	0.6
123.11723	2.4
125.06023	1.6
129.99512	2.5
131.08580	1.7
131.97443	0.6
132.95851	20.8
133.10147	54.3
135.11708	15.5
137.06003	4.4
137.09641	2.9
146.07309	1.4
150.96910	13.7
151.03918	0.9
151.11195	4.5
155.97447	15.9
155.98737	0.8
161.09651	15.7
161.13318	0.8
165.05504	0.8
167.10695	1.1
173.98517	15.7
179.10693	25.8
197.00078	0.8
197.05959	2.5
197.11761	67.3
197.13428	2.6
197.56380	0.5
198.18561	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	197.0963
Annotation	cis-Stilbene oxide
Peak:m/z	Relative Intensity
52.08994	0.2
53.03949	0.2
53.22723	0.2
55.01868	0.5
55.05508	0.5
57.07072	0.3
67.05505	0.5
69.85039	0.7
69.85452	0.3
70.95872	5.8
72.93793	2.5
79.05492	1.1
81.03420	0.4
81.07053	1.7
83.08607	0.5
84.48130	0.2
88.96911	0.5
90.94834	0.3
91.05502	1.9
93.07049	1.0
95.04965	0.6
95.08624	1.4
97.06534	0.4
103.05458	0.3
105.07042	1.0
107.08614	1.1
108.05736	0.5
109.06564	0.3
109.10107	0.3
111.98489	5.2
113.96396	0.7
114.94819	0.6
115.05458	0.5
118.04089	0.3
119.04977	0.5
119.08582	0.4
121.06496	0.5
121.10143	0.3
123.08096	1.1
128.06218	1.2
129.06992	1.4
129.99521	1.6
131.04965	0.6
132.95848	12.5
133.06493	0.9
133.10173	1.2
135.11702	0.8
136.05212	0.4
137.05960	0.6
137.13266	0.3
141.07004	11.2
142.95345	0.2
143.08546	0.3
150.96910	11.1
151.03853	0.3
151.07556	3.8
152.06210	3.3
153.01141	0.4
153.07001	3.2
154.07788	14.9
155.04927	1.8
155.07030	0.9
155.08516	0.6
155.97441	9.0
156.05704	0.8
157.06454	0.3
161.09599	0.3
161.13278	0.9
165.07050	1.2
166.07814	0.6
167.08572	6.3
168.05722	7.8
168.09334	0.3
169.06516	8.7
169.10138	25.2
170.07207	0.3
171.08118	0.3
173.98514	10.3
178.07808	0.7
179.07047	6.9
179.08585	4.9
179.10678	1.3
179.14351	0.8
181.06445	2.1
182.00681	0.3
182.07291	17.4
183.07730	0.3
185.09636	0.8
195.09230	0.9
196.07368	0.3
196.09001	0.4
197.00198	2.0
197.08174	6.4
197.09651	100.0
198.10036	1.1
198.18556	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03945	1.1
55.01875	1.3
55.05499	2.5
57.07070	2.4
58.52129	0.9
59.04993	2.4
59.58548	0.8
63.43919	0.7
67.05492	4.9
69.07069	1.7
70.36936	0.7
70.80240	1.8
70.95873	4.0
71.04995	0.9
72.93777	2.1
73.02913	0.8
78.28889	0.8
79.05497	5.8
81.07054	5.2
83.04961	1.1
85.06544	1.9
91.05490	15.9
93.07050	20.6
93.07632	1.1
95.04979	7.3
95.08633	3.9
97.06569	1.3
105.07035	23.7
107.08603	56.5
109.06520	4.3
109.10145	5.8
111.71996	0.9
111.98489	6.0
113.96470	0.9
117.07017	1.0
119.04951	2.4
119.06068	1.3
119.08583	6.7
121.06539	5.3
121.10214	1.2
123.04453	2.9
123.08067	1.7
123.11699	3.2
128.06207	0.8
129.99510	1.5
131.08548	2.3
132.95837	10.9
133.06445	1.5
133.10139	62.0
135.08073	1.6
135.11702	53.2
137.05998	2.4
137.09624	4.6
143.08585	0.9
146.07269	1.8
150.96886	7.2
151.03934	1.6
151.11205	5.9
155.97456	7.1
161.09625	29.2
161.13292	1.2
162.85303	0.9
164.26341	0.8
173.98492	9.2
179.10684	100.0
197.11746	91.7
197.13164	2.5
198.18489	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0811
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.39182	0.4
53.03946	0.9
55.01871	2.4
65.03933	1.9
67.05508	2.4
69.03475	0.6
70.95869	10.4
71.04975	0.7
71.24818	0.9
72.93796	4.7
73.02924	22.5
74.69022	0.4
75.19478	0.4
77.12904	0.4
77.80401	0.4
79.05467	1.1
81.07064	1.0
84.04504	1.5
85.02901	0.6
86.09689	1.0
88.96898	1.1
90.94822	1.2
91.05495	5.0
93.03398	1.3
93.07040	0.5
95.04964	2.1
95.08596	0.8
105.03400	1.4
105.07036	0.9
107.05055	0.5
107.08593	1.3
108.02116	2.0
109.02861	0.8
109.06529	2.3
110.03680	2.3
111.04488	0.7
111.98492	11.3
113.96408	0.7
119.04939	2.5
119.08613	0.6
122.03648	0.6
123.04359	0.5
125.06002	20.1
129.99525	2.2
132.95848	24.5
133.02859	6.5
133.10167	1.2
135.11752	1.1
137.05989	5.4
141.05490	1.9
149.06006	2.8
150.96904	14.9
151.03918	100.0
151.05020	8.6
151.07492	4.6
155.97432	16.4
161.09676	0.7
165.05464	3.1
173.98511	16.2
179.07048	22.9
179.10536	2.2
185.88295	0.5
197.00075	0.5
197.06281	1.2
197.08087	10.3
197.09804	1.0
197.11763	1.9
197.13484	0.4
198.18518	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
55.01865	2.7
55.93507	2.2
56.96567	100.0
57.03445	14.6
60.95864	1.3
61.02914	5.0
62.04864	1.2
65.03931	2.4
67.05494	3.0
69.03429	9.9
69.07078	2.1
69.88407	5.8
70.06596	31.4
70.95866	29.2
70.98127	5.8
71.01325	1.8
71.04993	3.0
71.95255	3.1
71.96676	1.2
72.93797	13.3
73.02921	89.3
74.03249	1.8
74.97585	2.2
77.00779	1.2
79.05486	2.6
81.03420	17.8
81.07046	2.0
84.04516	1.7
84.08144	4.7
84.96030	11.2
85.02916	9.2
86.03695	3.8
86.09728	1.3
86.97562	1.9
87.04437	1.4
88.96909	2.8
88.99113	1.2
89.00844	1.6
90.66182	1.3
90.94824	2.2
91.05489	1.8
95.04958	2.0
95.06116	1.3
96.01540	3.7
97.02888	15.4
97.96799	5.3
98.01292	2.9
98.97585	64.2
99.04458	2.9
100.02466	2.3
100.99131	1.4
101.00871	7.0
103.02409	1.6
104.01329	2.1
105.03399	1.8
107.04964	20.2
107.08637	1.4
109.02149	1.8
109.02892	51.1
110.01290	6.1
110.03681	54.0
110.97578	83.9
111.04509	7.9
111.53628	2.6
111.98491	31.0
112.99151	9.8
113.96394	1.9
114.04015	1.8
114.94798	2.5
114.97031	1.9
115.00611	1.4
115.02367	1.7
115.97849	2.8
116.07027	6.0
116.98628	19.7
118.03553	1.5
119.01865	15.3
119.04939	4.6
121.06477	2.9
123.04436	4.5
124.95435	1.5
124.99113	5.8
127.02333	2.0
127.03919	2.7
128.02350	8.5
128.98613	59.8
128.99577	3.0
129.02026	2.7
129.99570	9.0
131.00171	5.3
131.01852	3.8
131.04907	2.1
132.05074	3.2
132.95850	72.2
132.98016	2.9
134.99695	6.3
135.02107	1.7
135.04419	34.9
136.93112	1.5
136.99103	3.2
137.01842	2.1
137.02858	3.8
137.05937	4.9
138.02536	2.5
140.02283	2.3
140.98598	2.6
141.02051	8.4
143.00238	8.8
143.01874	3.5
144.98099	6.1
145.01723	2.9
145.03452	2.2
146.99664	19.6
147.02084	2.5
147.03317	1.7
147.04417	12.5
149.01303	1.7
149.02826	2.2
149.05968	4.7
150.02571	5.8
150.96907	49.3
150.99113	2.5
151.03931	1.9
152.98582	4.4
153.05537	1.5
153.99292	1.8
154.01982	2.6
154.94217	3.1
155.00168	5.9
155.97429	49.0
156.02554	9.3
156.05049	1.8
156.52640	1.5
156.98058	8.1
158.99702	4.1
161.01257	3.6
161.02960	3.1
162.99181	4.2
163.00613	2.1
163.02710	4.1
163.03951	1.8
165.00880	2.5
165.03105	65.0
165.05383	3.1
165.53227	4.7
165.99382	3.7
167.00169	2.7
170.01346	1.9
170.03052	1.6
170.06671	2.5
170.99670	5.0
172.97572	1.8
173.01228	4.3
173.98509	49.5
174.03625	91.1
174.06133	6.8
174.53777	5.6
174.99176	32.8
176.03378	3.7
176.53842	2.2
177.00835	1.5
177.04182	2.6
177.05531	2.0
179.00046	2.1
179.08176	1.4
179.10629	2.1
181.01689	2.7
182.99629	2.3
183.04138	10.3
184.00528	7.9
185.01221	3.9
185.03967	2.8
185.54395	4.4
186.04671	3.5
189.00641	2.6
190.98573	2.4
193.00232	17.4
194.99730	2.5
196.91835	1.8
197.01300	2.7
198.06065	4.5
198.18590	2.3
201.00748	3.0
203.02296	3.5
207.01801	2.4
209.01248	12.0
213.00702	3.2
215.02138	1.8
215.04063	2.2
216.07100	6.4
219.01791	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58810	0.8
50.61980	0.9
53.03937	1.8
55.01865	3.9
55.05517	31.8
55.54037	0.9
57.03442	7.0
57.07084	9.1
59.05006	1.0
67.05510	14.9
67.99615	0.8
68.99794	7.5
69.03436	9.0
69.07076	100.0
69.45953	1.1
69.46359	4.8
70.06593	1.0
71.04977	3.6
71.08640	1.8
73.06541	3.5
73.88679	0.8
79.05067	1.1
79.05499	12.1
81.07068	36.8
83.04990	8.6
83.08148	1.6
83.08631	24.5
84.08141	1.5
85.06537	3.5
85.10181	3.1
88.29469	0.8
89.03917	5.9
89.06036	2.4
91.05460	6.5
93.06482	1.5
93.07055	25.6
95.04960	2.5
95.08617	40.7
97.06544	13.4
97.10179	18.0
98.20764	1.9
99.08079	3.8
103.05504	1.1
105.07034	5.2
106.73073	0.8
107.04949	2.8
107.08607	34.4
109.06548	1.8
109.10171	11.4
109.98919	1.3
111.08093	19.3
111.11734	4.6
117.03384	10.5
117.07081	1.0
119.08569	1.4
121.06502	1.7
121.10152	43.0
123.08080	1.1
123.11742	7.3
125.06060	1.4
125.09641	30.6
125.10568	1.6
130.96330	0.8
131.08569	2.1
133.08603	1.4
133.10133	1.7
134.03615	2.0
135.04390	2.6
135.08049	2.4
135.11702	24.1
137.13257	14.3
139.07484	1.0
139.11206	26.1
145.02863	22.5
148.97417	1.2
149.06038	5.9
149.09669	2.6
149.13313	5.3
151.14836	2.3
153.05530	1.2
153.09108	15.3
153.12733	1.5
153.97853	2.2
159.11739	2.0
163.03928	6.8
167.07085	1.5
171.44598	1.0
171.98940	2.0
177.05487	36.9
177.12778	3.3
177.16417	30.2
192.29517	0.9
195.02849	1.5
195.06514	4.9
195.08104	2.2
195.10080	4.6
195.13821	3.3
195.15669	2.1
195.17462	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.54956	1.0
53.03938	2.3
53.51412	1.0
55.01868	4.3
55.05515	32.9
57.03440	6.9
57.07080	9.5
59.04999	1.1
60.24427	0.9
65.22440	0.9
67.05510	11.8
68.96332	1.1
68.99798	7.0
69.03433	9.2
69.07073	100.0
70.06570	1.3
70.11568	3.5
70.11945	2.0
71.04978	3.7
71.08644	1.6
73.06551	2.5
79.05495	12.3
81.03429	1.4
81.07061	34.0
83.04987	11.0
83.08153	1.5
83.08627	23.9
85.06543	3.0
85.10178	4.0
89.03938	6.7
89.06025	1.8
91.05481	4.8
93.07052	26.6
93.07636	1.7
95.04962	1.9
95.08611	36.6
97.06546	14.6
97.10176	18.1
98.21424	1.2
99.08095	3.1
105.07062	6.2
107.04943	3.8
107.08599	35.5
109.06497	1.4
109.10160	11.8
109.98952	1.6
111.08087	22.2
111.11720	4.0
113.09650	1.5
117.03385	11.6
117.07037	1.5
119.08511	1.2
121.06520	2.5
121.10151	50.3
123.08078	1.0
123.11056	0.9
123.11723	8.3
125.09637	34.2
130.96286	2.3
131.08572	1.3
134.03644	1.4
135.04448	3.0
135.08052	2.5
135.10698	1.5
135.11707	22.1
137.05981	1.3
137.13264	17.4
139.11195	27.8
145.02852	21.5
148.77023	0.9
148.97388	1.5
149.05977	6.8
149.09604	2.0
149.13278	5.1
151.14833	2.9
153.09113	12.5
153.12756	2.8
153.97923	1.4
159.11656	2.1
161.87434	1.0
162.03192	1.2
163.03880	7.7
171.98958	2.4
177.05478	34.2
177.12778	3.4
177.16400	32.0
195.02931	1.8
195.06570	6.0
195.08171	2.3
195.10158	3.8
195.11781	1.9
195.13821	3.9
195.15858	2.1
195.17453	30.2
196.13330	2.0
206.79778	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
55.01868	3.6
55.05515	15.5
57.07076	2.1
59.04991	1.4
63.86237	1.3
67.05520	5.9
69.03433	9.5
69.07076	34.6
69.48228	2.7
69.48637	4.2
71.05003	6.3
71.05317	1.1
72.08162	1.5
79.05496	9.0
81.07064	31.5
83.04978	1.4
83.08627	12.6
84.08134	1.3
85.06544	5.8
89.03916	4.9
90.15342	1.0
91.05489	4.7
93.07063	22.3
95.04950	1.3
95.08619	50.9
95.32178	1.0
97.10181	7.0
99.08103	50.9
105.07053	4.7
107.04955	3.5
107.08610	39.7
109.06570	1.2
109.10155	11.8
109.98923	1.3
111.08097	20.6
111.11719	3.8
113.09653	5.7
117.03388	10.2
121.06565	1.4
121.10158	63.0
123.11741	2.4
125.09645	30.2
130.96310	2.4
134.03615	1.8
135.04515	1.4
135.11707	15.9
137.13278	17.3
139.11177	3.1
145.02861	17.6
149.05995	5.8
149.09612	1.7
149.13290	5.8
152.04601	1.1
153.97897	1.6
163.03906	5.8
167.08632	1.3
171.98959	1.4
177.05482	27.0
177.16403	100.0
178.16714	1.2
186.05695	1.5
192.28000	1.1
195.06502	2.9
195.08200	3.2
195.10165	2.4
195.11856	1.7
195.13785	1.4
195.15746	1.1
195.17464	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01869	4.8
55.05519	17.6
57.03440	2.0
57.07080	6.5
59.04998	1.4
65.03940	2.5
67.05507	11.9
68.96345	1.1
69.03441	9.4
69.07077	42.2
69.30521	3.8
69.30948	4.8
70.06606	1.9
71.05013	6.6
75.04487	1.0
79.05495	15.1
81.06587	2.4
81.07065	40.2
83.04991	3.4
83.08636	18.5
84.08138	1.1
85.06549	6.7
85.10152	1.1
89.03947	2.5
89.06044	2.5
91.05477	8.7
93.03426	2.6
93.07053	29.0
95.05000	2.8
95.08617	58.4
97.06553	3.6
97.10181	8.4
99.08105	45.7
103.05458	1.5
105.07085	5.3
107.04943	5.1
107.08610	42.7
109.06551	1.8
109.10165	12.1
109.98934	1.2
111.04478	2.6
111.08093	21.4
111.11735	2.8
113.09624	6.6
117.03400	7.5
119.08595	2.8
121.02898	15.1
121.06541	2.4
121.10159	68.7
123.11733	5.1
125.06034	3.3
125.09647	23.1
130.96307	2.3
131.08603	3.0
133.10146	2.5
134.03619	1.7
135.04402	1.6
135.08076	2.4
135.11708	26.8
137.09607	1.7
137.13272	24.7
139.11200	4.0
145.02853	12.6
148.97412	2.2
149.06006	4.1
149.09662	1.9
149.13277	6.9
151.14844	1.5
153.05457	7.6
153.97861	2.4
159.11710	3.9
162.80594	1.1
163.03905	7.8
163.67647	1.3
171.98886	2.5
177.05478	23.0
177.06897	1.8
177.09183	0.9
177.12833	5.0
177.16405	100.0
179.03439	1.2
180.04195	4.3
191.86676	1.2
195.02913	2.1
195.06558	4.6
195.08136	2.3
195.11787	1.3
195.13815	4.2
195.15750	2.2
195.17439	22.8
196.13275	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.09714	0.8
53.03933	1.4
55.01857	2.9
55.05513	14.4
57.03428	1.0
57.07082	7.8
57.69017	0.6
59.04993	1.5
62.44547	0.6
67.05510	8.2
69.03414	2.6
69.07073	19.5
69.55133	4.2
70.06563	0.7
71.04994	6.2
73.02903	1.8
77.17595	0.6
79.05499	10.4
81.03432	1.1
81.07062	22.4
83.04992	3.4
83.08625	5.6
84.08132	0.9
85.06551	4.0
89.03908	3.4
90.35529	0.7
91.05482	6.4
93.07050	35.4
95.04962	1.7
95.08613	41.2
97.06523	5.6
97.10149	3.6
99.04447	0.8
99.08100	12.3
101.06044	4.4
105.07047	5.4
106.04182	0.6
107.04972	2.2
107.08602	52.0
109.06528	1.7
109.10164	11.1
111.08086	4.7
111.11737	0.9
113.09646	2.1
115.07572	4.0
117.03380	9.2
117.07072	1.2
119.08601	5.3
121.06516	3.1
121.10149	37.5
123.04422	0.9
123.08107	0.8
123.11697	5.8
125.09641	6.8
130.96320	2.2
131.08551	1.4
133.10143	13.7
134.03647	0.9
135.04431	1.6
135.08113	5.0
135.11697	100.0
136.12076	1.3
137.09599	1.0
137.13287	5.1
139.07562	2.3
139.11156	1.1
145.02856	18.4
148.97404	1.5
149.02374	4.7
149.05983	4.3
149.09622	1.8
149.13266	10.3
151.14888	1.3
152.14349	3.1
153.09111	1.5
153.97966	1.0
159.11697	7.3
162.02888	0.6
162.66818	0.6
163.03886	5.0
163.84167	0.6
167.07162	0.8
167.08601	0.9
171.98993	1.0
177.05487	27.9
177.09248	1.0
177.11218	1.4
177.12773	25.2
177.16389	35.2
195.06488	1.9
195.08167	1.4
195.10161	1.8
195.13838	20.0
195.15686	1.0
195.17488	9.0
196.13336	2.3
196.17041	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	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
51.23364	1.1
51.40336	1.0
53.03939	2.0
53.22223	1.1
53.24208	1.0
53.33225	1.1
55.01870	5.1
55.05266	2.1
55.05513	26.1
57.03427	3.3
57.07083	11.9
59.04992	3.3
65.03938	1.2
67.05508	12.4
69.03427	7.6
69.07075	41.0
70.06593	1.9
71.05000	6.9
71.08635	1.9
71.25305	2.7
79.05503	19.0
81.06589	2.6
81.07064	48.0
83.04980	2.7
83.08222	1.6
83.08637	16.9
84.08154	1.7
85.06543	8.5
85.10181	1.3
89.03923	7.1
91.05482	12.3
93.07051	44.8
95.04964	1.7
95.08614	74.7
96.83197	1.1
97.02872	1.4
97.06522	4.9
97.10180	10.2
99.08103	37.9
101.06013	3.8
101.36395	1.2
103.05492	1.8
105.07018	9.8
106.04193	1.2
107.04955	8.6
107.08603	83.9
109.06556	1.8
109.10169	24.7
111.04448	2.2
111.08086	8.6
111.11737	2.6
113.09669	5.8
115.05476	1.1
115.07574	3.2
117.03402	17.3
117.07031	2.7
119.08582	5.7
121.02865	1.2
121.06506	4.0
121.10153	97.9
123.11719	23.8
125.09643	25.4
130.96338	4.1
131.08505	2.8
133.10130	10.1
134.03642	3.7
135.04425	3.1
135.08084	7.1
135.11700	100.0
137.09624	2.5
137.13274	18.5
139.07555	2.9
139.11195	4.5
145.02853	30.0
148.97389	3.1
149.02379	3.3
149.06007	10.3
149.09625	3.6
149.13283	10.4
151.14784	2.0
152.14336	1.3
153.97847	1.3
159.11714	5.0
163.03940	6.7
163.07635	1.3
165.16428	3.5
167.07062	2.0
171.98952	1.8
177.05486	42.3
177.12808	23.5
177.16397	98.7
195.01195	2.2
195.02925	1.6
195.06456	3.1
195.08228	1.8
195.10173	4.7
195.11945	1.9
195.13780	17.0
195.15584	2.3
195.17474	24.5
196.13399	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	195.1382
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
51.02385	2.4
53.03944	7.5
55.01875	3.5
55.05513	22.2
56.21082	2.4
57.03437	13.7
57.03666	2.2
57.07058	6.0
59.54144	2.2
65.03941	3.0
67.05510	27.8
68.30672	2.1
68.96352	3.2
69.03426	4.9
69.07072	45.7
70.77871	6.5
71.04996	19.1
72.08177	2.5
79.05068	4.1
79.05501	51.8
81.03448	2.2
81.07068	49.6
83.04996	3.7
83.08624	7.0
85.06546	8.2
89.03918	7.7
89.06026	5.6
91.05489	39.5
93.07051	69.5
95.04427	1.9
95.04958	11.0
95.08611	28.3
97.06522	5.1
100.02518	2.5
103.05463	2.7
105.04578	3.5
105.07058	25.0
107.04971	15.0
107.08603	52.0
109.06529	16.7
109.10166	4.4
109.98936	2.5
111.04496	2.2
111.08083	4.1
115.05469	2.5
117.03365	14.8
117.07005	16.1
119.08597	19.4
121.06492	15.5
121.10159	18.7
122.07340	2.8
123.04491	2.2
123.08072	24.4
129.07013	6.2
130.07800	4.4
130.96327	5.7
131.08575	28.4
133.02876	8.2
133.06512	16.7
133.10165	8.8
135.04424	12.8
135.08060	10.5
135.11699	21.8
137.05995	4.4
137.09607	2.6
139.07542	2.6
144.09383	7.3
145.02829	23.2
148.97388	6.1
149.06003	8.0
149.09595	3.5
149.13268	18.4
153.05534	4.0
153.97868	3.9
159.11710	20.5
163.03917	100.0
171.99028	4.3
177.05472	41.7
177.09151	2.3
177.12758	17.9
177.16380	2.7
195.02896	3.5
195.06548	21.7
195.08032	4.5
195.11659	4.4
195.13826	12.5
195.15602	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	195.1383
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03943	4.3
53.55908	0.9
55.01858	3.6
55.05518	20.4
55.85221	1.1
57.03424	4.3
57.07077	2.3
57.24244	1.0
58.06605	2.0
59.04969	1.0
65.03923	4.0
67.01883	1.0
67.05511	77.2
68.96320	3.2
69.03426	2.1
69.06741	1.5
69.07077	19.1
70.06586	1.3
70.64450	2.5
70.94244	1.5
71.01332	1.5
71.05000	6.7
77.03947	1.3
79.05499	49.8
81.03426	15.4
81.07063	100.0
81.65591	1.0
83.04983	12.6
83.08163	1.0
83.08630	13.9
84.08144	1.6
85.02895	1.3
85.06547	4.9
86.97359	1.4
89.03925	9.5
89.06039	5.6
91.04906	1.6
91.05487	41.8
93.07053	69.2
95.04983	8.3
95.08611	35.1
97.06539	13.8
97.10186	2.0
99.04450	1.6
99.08096	2.4
100.02464	2.6
101.06054	1.0
103.05451	1.7
105.04509	2.2
105.07043	15.7
106.04190	1.4
107.04965	12.5
107.08601	34.5
109.06510	3.9
109.10153	4.5
109.98940	4.0
111.04445	1.9
111.08108	6.6
115.05399	1.2
117.03381	19.1
117.07023	13.1
119.08595	4.0
120.27459	1.0
121.06535	8.5
121.10172	12.7
123.08102	1.8
123.11719	3.2
125.06009	2.2
125.09624	1.2
127.99968	1.4
130.96323	6.0
131.08585	17.5
133.02869	6.9
133.06508	28.8
133.07518	1.1
133.08598	2.0
133.10141	29.8
134.03673	3.0
135.04431	12.1
135.08072	6.0
135.11702	35.1
137.05997	2.5
137.09631	1.6
139.07527	2.2
144.45552	1.0
145.02863	39.9
148.97401	6.2
149.05994	11.3
149.09605	3.6
149.13275	27.0
149.97174	1.2
151.11162	3.2
152.05934	1.2
153.05417	1.7
153.09174	1.2
153.97900	4.2
158.06073	1.4
159.11694	18.6
162.73376	1.0
163.03920	94.2
164.04321	1.4
165.56653	1.7
167.07079	1.6
167.08601	1.5
171.98981	7.4
177.05484	53.3
177.12759	13.3
177.16267	1.3
186.05537	2.4
195.02916	3.7
195.06407	7.8
195.07851	2.0
195.10069	5.2
195.11974	1.8
195.13800	23.1
195.15695	4.5
196.17078	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03941	3.9
55.01871	4.1
55.05520	17.9
57.03434	3.8
57.07077	1.8
65.03934	2.8
67.05511	72.1
69.03411	1.6
69.07072	20.2
71.01345	1.7
71.05006	7.2
71.25574	2.4
77.03955	1.0
79.05500	41.8
79.41187	1.1
81.02991	1.3
81.03423	13.1
81.07064	100.0
83.04990	10.2
83.08625	12.3
84.08156	1.1
85.06544	5.5
87.04458	1.0
89.06031	1.4
91.04916	1.5
91.05490	39.5
93.07050	64.0
95.04993	6.4
95.08614	34.0
95.51976	1.0
97.06550	11.4
97.10200	1.2
99.08086	2.6
105.04514	1.3
105.07029	12.4
107.04974	2.4
107.08601	24.9
107.17852	0.9
109.06517	4.5
109.10168	4.0
111.08096	5.6
117.03369	1.8
117.07036	12.6
117.56079	1.0
119.08573	3.1
119.09411	1.0
121.06532	5.8
121.10146	10.5
123.11711	2.0
125.05984	0.9
125.09595	1.4
131.08580	14.8
133.02853	1.9
133.10143	26.7
135.04405	2.5
135.08055	3.1
135.11703	32.2
139.07608	1.1
144.09351	1.8
145.02855	3.6
147.11783	1.1
149.06001	1.1
149.09615	1.4
149.13272	21.2
151.11185	4.2
159.11713	17.1
163.03926	29.4
177.05464	5.1
177.12729	12.2
188.83916	1.0
195.06480	2.0
195.13850	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	195.1382
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03948	4.6
55.01865	3.7
55.05516	11.0
57.03429	2.3
59.04993	1.3
65.03935	2.2
67.01876	1.2
67.05511	95.1
68.99788	4.5
69.03426	3.6
69.07074	17.9
70.96513	1.9
71.05001	6.6
72.08138	2.4
73.02928	1.8
77.03946	1.4
79.05502	36.6
79.50034	0.9
81.03409	3.8
81.07063	100.0
82.07407	1.4
83.01329	1.7
83.04992	8.3
83.08630	8.2
85.02903	2.9
85.06545	5.2
87.04466	1.0
89.03908	6.6
89.05993	1.4
91.05489	27.8
93.07052	57.7
93.43344	0.9
95.04984	7.2
95.08613	37.3
97.06538	17.3
97.10155	2.7
99.08092	2.8
103.05470	2.4
105.07044	9.3
106.04163	1.1
107.04975	10.4
107.08599	22.8
109.06523	11.2
109.10162	4.1
109.98912	1.4
111.04471	1.5
111.08083	7.3
113.06024	1.7
117.03398	11.1
117.07027	12.8
119.04918	1.6
119.08574	1.2
121.06525	6.3
121.10149	10.1
125.05992	1.9
130.96294	2.2
131.08578	16.2
131.29510	0.9
133.10144	18.9
135.04420	4.0
135.08040	5.7
135.10703	1.9
135.11702	33.4
137.05980	11.8
137.13309	1.1
138.22569	0.9
139.99223	1.0
142.08203	1.0
145.02863	22.5
145.03999	1.4
147.04509	1.5
147.11707	1.1
148.97375	1.9
149.06001	10.0
149.09679	2.0
149.13269	38.7
149.97343	1.0
151.11211	7.7
153.05466	11.6
153.09035	1.2
153.97943	1.8
159.11702	33.5
160.91003	0.9
163.03914	7.5
163.07603	2.1
165.05501	2.9
165.06824	1.0
167.07094	2.6
167.08588	3.9
177.05489	41.4
177.12758	21.7
177.16362	4.3
195.06544	78.2
195.07982	3.2
195.12010	2.0
195.13817	28.0
195.15598	1.7
196.13522	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.53437	1.1
53.03947	4.6
53.72977	0.9
55.01889	6.2
55.05516	16.3
56.96569	2.1
57.03438	9.1
57.07076	3.1
64.69891	1.1
65.03959	3.1
67.05510	74.3
68.96338	3.2
69.03439	2.3
69.07073	19.0
69.32704	1.0
70.06595	2.8
71.01339	1.9
71.04992	6.9
71.51881	1.2
72.08157	3.5
73.02924	1.3
79.05498	43.4
80.04984	1.3
81.03414	7.1
81.07063	100.0
83.04977	13.9
83.08626	11.1
85.06558	6.1
89.03920	4.7
89.06049	7.2
91.05486	28.1
93.07050	63.6
95.04969	8.9
95.08614	42.4
97.06536	13.5
97.10178	2.2
98.06064	1.9
99.04441	1.5
99.08098	3.1
100.02483	1.8
103.05457	1.2
105.04501	1.8
105.07023	12.7
107.04946	4.5
107.08605	33.3
109.06529	3.3
109.10164	4.5
109.98965	3.3
111.04448	1.2
111.08083	7.0
112.96701	1.3
115.05472	2.1
117.03375	7.8
117.07014	10.6
119.08582	3.5
121.06511	6.4
121.10146	12.9
123.08077	12.8
125.06000	2.0
130.96342	6.8
131.08577	14.2
131.96127	1.3
133.02849	4.6
133.06476	2.3
133.08588	1.5
133.10158	16.6
135.04449	5.7
135.07130	1.7
135.08051	5.3
135.11707	33.0
135.19182	1.2
145.02859	19.3
148.97340	5.5
149.06015	7.1
149.09612	3.3
149.13263	29.8
149.97195	1.5
150.09146	1.4
151.07491	2.5
151.11205	3.3
153.97911	4.4
159.11703	23.1
163.03929	59.2
163.06561	3.6
163.07738	1.6
167.07133	1.4
167.08641	2.0
171.98991	6.4
174.08078	4.0
174.58157	2.2
177.05475	32.9
177.08960	1.7
177.12741	18.0
177.16412	2.6
180.09439	1.3
183.08609	1.9
193.01698	1.4
195.02937	4.9
195.06511	9.5
195.08182	3.6
195.10005	2.1
195.11623	6.5
195.13817	19.6
195.15729	4.2
211.02863	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03939	3.6
55.01870	2.1
55.05522	12.9
56.96560	2.1
57.03455	4.2
57.07066	2.1
64.54116	0.9
65.03940	2.9
65.09323	0.8
67.05512	69.1
68.96319	1.8
69.03423	1.2
69.07079	15.3
69.70830	4.9
70.06580	1.0
71.01362	1.5
71.04998	5.5
72.08153	2.4
72.09439	0.8
73.89548	0.8
77.03912	1.1
79.05502	38.8
81.03424	6.3
81.07065	100.0
83.04987	10.6
83.08634	9.8
84.08157	1.1
85.02917	1.1
85.06553	3.5
87.04485	1.3
89.03910	2.5
89.06048	4.6
91.05493	26.1
93.07053	59.2
95.04972	7.1
95.08620	36.0
95.09126	0.6
95.09245	1.0
97.06540	11.6
97.10180	1.0
99.08108	2.8
100.02488	1.5
103.05496	0.9
105.04517	2.0
105.07045	10.0
107.04949	2.9
107.08602	24.4
109.06515	3.9
109.10139	3.0
109.98969	1.0
111.08074	5.6
113.06020	1.8
113.09586	1.1
117.03396	7.0
117.07038	9.6
119.08596	3.0
121.06515	3.7
121.10139	9.3
123.08105	1.1
125.06016	1.1
129.10959	1.0
130.96309	1.9
131.08586	12.5
133.02837	2.4
133.10152	16.2
135.04420	3.8
135.08131	4.0
135.11719	29.4
139.07587	0.8
145.02850	12.1
148.97357	3.0
149.05940	3.2
149.09615	2.1
149.13280	27.5
149.97142	1.0
151.11209	3.0
153.09071	1.1
153.97903	2.1
159.11711	18.1
163.02557	1.8
163.03929	33.6
165.07005	1.5
167.07094	1.1
167.08502	1.2
171.98979	2.5
177.05504	20.1
177.09167	1.0
177.12762	13.8
180.80498	0.8
186.05522	0.9
195.02975	2.6
195.06505	2.7
195.08179	2.3
195.10062	1.2
195.11653	3.1
195.13812	19.8
195.15685	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03933	4.4
54.04291	1.1
54.32498	1.2
55.01875	5.8
55.05274	1.4
55.05515	17.4
56.96567	2.1
57.03444	6.8
57.07058	3.8
59.35194	0.9
61.73649	1.0
65.03920	3.3
65.31707	1.1
66.03671	1.0
67.05508	74.1
68.99786	2.4
69.03411	2.6
69.07072	20.8
70.06586	2.0
70.47267	3.5
70.94247	1.3
71.01372	1.4
71.05000	7.7
71.95255	1.6
73.02920	1.1
79.05499	44.6
81.03423	28.2
81.07059	100.0
83.04985	22.7
83.08628	13.5
85.02888	1.6
85.06535	4.0
89.03904	3.4
89.06035	11.5
91.05488	33.8
93.07050	67.3
95.04963	8.3
95.08611	37.5
97.06539	14.3
97.10139	1.7
99.08081	2.9
100.02539	1.2
103.05474	2.1
105.04496	1.5
105.07038	10.3
107.04953	5.4
107.08597	28.4
107.65131	1.3
109.06503	3.4
109.10157	6.0
109.98952	1.9
111.08076	8.6
117.03391	9.1
117.07028	15.0
119.08566	4.0
121.02876	1.1
121.06519	14.0
121.10155	13.6
123.08044	1.9
123.11736	2.1
125.05975	1.9
127.07508	1.1
130.96307	5.3
131.08577	17.6
133.02864	3.4
133.08574	2.7
133.10144	20.7
135.04416	5.1
135.08037	4.6
135.11700	26.1
136.12021	1.3
139.07552	1.2
145.02856	18.2
148.97357	5.5
149.05954	6.8
149.09604	2.5
149.13266	24.5
151.11186	2.5
153.05530	1.1
153.09106	1.4
153.97914	2.7
159.11722	17.7
163.03918	44.6
163.07649	1.5
165.06969	1.2
167.08829	1.1
171.98976	3.9
172.98808	1.1
177.05482	44.6
177.08951	1.3
177.12758	13.5
177.16342	1.4
180.00792	1.0
180.09344	2.4
186.05516	1.6
195.02875	3.7
195.06508	22.9
195.08054	2.1
195.11681	4.8
195.13814	27.7
195.15723	4.8
195.17421	1.6
196.17032	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	195.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01870	1.3
55.05485	0.5
57.02869	0.4
57.03437	0.7
58.03415	0.4
65.03947	4.0
66.09610	0.4
67.05494	1.1
68.96352	0.4
69.03427	0.8
69.36446	3.1
77.03912	0.4
79.05072	0.5
79.05495	6.7
81.03408	1.4
81.07064	1.1
83.04988	0.5
83.08625	0.5
89.03927	6.0
89.06020	0.8
89.12582	0.3
91.05489	4.4
93.03412	5.2
93.07059	2.2
95.04991	1.8
95.08612	0.7
103.05478	21.1
105.04489	0.4
105.07037	8.8
107.04967	35.0
107.08611	1.5
109.02875	1.3
109.06525	1.3
109.98940	0.5
111.04469	3.9
111.08115	0.4
115.05479	3.1
117.03394	11.3
117.07005	1.9
118.04956	0.3
119.04920	0.4
120.05750	2.0
121.02869	0.4
121.06496	2.8
121.10143	0.8
123.04462	0.5
124.05223	2.0
125.05991	1.4
130.96312	0.9
131.04945	4.5
132.05704	0.4
133.02930	0.5
133.06519	1.0
133.10135	0.4
134.03635	1.4
135.04449	2.4
135.08064	19.4
135.11690	1.5
139.03917	24.3
145.02859	21.9
145.06537	0.8
145.07608	1.3
147.04332	0.4
148.05188	1.0
148.97339	0.8
149.05995	5.1
149.09624	0.5
149.13271	0.5
152.04649	0.4
153.05481	1.4
153.09180	0.4
153.97894	0.8
154.06262	100.0
155.06639	0.5
162.03223	0.4
163.03929	4.5
163.07561	40.0
167.07056	4.7
167.08426	0.6
171.98970	0.8
177.05487	29.1
177.12764	0.8
177.16348	0.6
180.07811	1.0
186.05536	0.6
195.02919	0.6
195.06526	3.5
195.08211	0.8
195.10172	11.7
195.11623	0.5
195.15805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
50.00457	0.3
53.00314	0.5
53.03951	1.3
55.01883	1.7
55.05524	1.1
56.96571	0.3
57.03446	0.6
65.03955	0.5
67.05510	1.7
68.96351	0.4
68.99809	0.3
69.03442	0.7
69.07080	1.1
70.06592	0.7
71.04998	0.4
72.08161	0.9
77.03961	0.5
79.05501	10.3
81.03437	0.7
81.07064	2.8
83.05003	0.7
83.08656	0.4
84.08165	0.3
85.02943	0.3
89.03916	2.5
89.06049	1.2
91.05489	7.7
91.06019	0.5
92.06319	0.3
93.07068	2.6
95.04972	3.4
95.08617	2.5
97.06527	0.6
103.05486	9.3
105.03394	0.5
105.04550	0.5
105.07043	11.8
106.04152	0.4
107.04966	100.0
107.08604	3.9
108.05328	0.6
109.06567	1.4
109.10153	0.4
109.98988	0.4
111.04448	0.5
111.08096	0.7
115.05467	8.2
116.06193	0.3
117.03398	6.1
117.07030	3.3
119.04973	0.5
119.08587	0.4
120.05741	2.3
121.02820	0.4
121.06519	1.3
121.10165	2.2
123.04433	0.4
123.11795	0.4
124.05233	0.4
125.05997	0.8
127.99992	0.3
130.96309	1.2
131.04935	0.5
131.08553	0.6
133.06528	0.6
133.08571	0.4
133.10156	0.7
134.03632	0.8
135.04448	2.8
135.08069	25.8
135.11682	1.7
137.05997	1.2
137.09633	0.5
137.13251	1.3
139.03923	0.4
145.02858	11.7
145.06538	0.6
145.07562	2.2
147.04414	1.5
148.05220	0.6
148.97360	1.2
149.06030	3.1
149.09607	0.7
149.13287	0.8
151.03880	0.6
151.07555	0.4
153.05490	0.8
153.09079	0.4
153.97914	0.9
154.06239	1.0
159.11714	0.4
163.03937	5.4
163.07559	50.5
165.05504	0.7
165.06906	0.4
165.57008	0.3
167.07062	6.8
167.08437	0.3
171.36139	0.3
171.98949	1.3
177.05479	18.1
177.08945	0.6
177.12782	0.7
177.16414	2.2
180.07880	2.0
186.05508	0.5
195.02919	1.0
195.06557	5.0
195.08150	1.4
195.10146	12.4
195.11601	0.7
195.13844	1.1
195.15654	0.7
195.17422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1019
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00325	0.4
53.03955	1.1
55.01877	1.8
55.05515	0.6
55.91631	0.3
57.03452	0.5
65.03944	3.2
67.05518	0.6
68.96351	0.3
69.36251	2.2
77.03914	0.7
79.05501	5.9
79.45879	0.3
80.38335	0.3
81.03432	0.6
81.07058	1.0
82.00615	0.3
84.08136	0.4
88.32838	0.3
89.03929	3.6
89.06040	0.8
91.05494	4.8
92.06306	0.5
93.03413	5.2
93.07047	1.6
93.19009	0.3
94.04237	0.5
95.04987	1.4
95.08607	0.7
96.02193	0.3
102.04745	0.4
103.05486	22.3
105.03421	0.3
105.07047	8.3
106.04166	0.3
107.04972	30.1
107.08616	1.4
108.53293	0.3
109.02892	1.6
109.06539	0.8
111.04465	4.2
115.05463	3.1
117.03397	9.0
117.07027	1.3
119.04979	0.6
120.05720	2.1
121.02874	0.3
121.06519	2.3
121.10152	0.5
124.05221	1.7
125.06001	1.3
130.96352	1.0
131.04955	4.4
132.05711	0.5
133.02885	0.5
133.06470	0.8
134.03633	1.2
135.04506	1.7
135.08070	16.9
135.11708	1.0
137.05989	0.6
139.03925	24.4
145.02867	17.1
145.06523	0.5
145.07635	1.2
147.04419	0.8
148.05217	0.8
149.05997	4.1
149.09714	0.4
149.13234	0.4
153.05467	1.0
153.97897	0.9
154.06268	100.0
155.06575	0.5
161.05974	0.4
162.03296	0.3
163.03941	3.7
163.07568	37.5
163.85326	0.3
164.07983	0.4
166.88155	0.3
167.07079	4.6
167.08461	0.7
171.98959	0.6
173.30769	0.3
177.05495	23.8
177.12698	0.4
178.05934	0.3
180.07823	1.0
186.05528	0.4
195.02982	0.6
195.06554	2.8
195.08414	0.6
195.10191	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	195.0654
Annotation	Meconine
Peak:m/z	Relative Intensity
53.03936	1.3
55.01880	1.4
55.05497	0.6
65.03931	0.5
67.01871	1.5
67.05487	1.1
68.99441	0.5
68.99791	7.0
69.03433	2.7
69.07075	0.5
71.52110	0.4
77.03938	0.3
79.01849	1.2
79.05074	0.3
79.05495	4.1
81.03407	0.9
81.07060	4.8
83.01358	3.1
83.04980	0.9
85.02911	3.2
89.03908	0.7
89.06049	2.1
91.05488	3.6
93.07047	1.6
94.04160	0.8
95.04971	1.7
95.08606	0.7
97.02914	0.9
97.06548	0.7
103.05465	1.2
105.04515	0.5
107.04986	1.9
107.07066	0.5
107.08601	0.6
109.06526	11.3
109.07270	0.6
111.04444	1.1
111.08109	0.3
117.03374	1.2
119.04960	0.6
121.02860	0.3
121.06507	2.0
121.10129	0.7
123.04436	0.7
125.06042	1.5
133.02876	0.4
133.08635	0.5
134.03674	0.3
135.04425	2.7
137.05988	16.1
139.07587	0.6
141.05534	0.6
145.02893	1.9
149.06001	3.3
153.05479	14.6
163.03912	7.1
165.05507	3.2
167.07045	2.1
177.05472	10.5
177.16318	0.3
195.06544	100.0
195.15724	1.3
196.06976	0.5
196.09683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
53.03942	0.7
55.05508	1.2
57.03425	0.9
63.02399	0.5
65.03925	0.8
67.05518	1.0
68.96346	0.9
69.07072	0.8
69.42491	3.1
71.05001	0.8
78.04703	0.4
79.05496	2.9
81.03417	1.8
81.07056	1.7
83.04995	0.6
84.08159	0.5
84.38995	0.4
85.02920	0.9
85.06538	0.6
89.03921	16.9
89.06028	0.9
91.05483	3.6
93.03423	1.1
93.07050	3.9
95.04980	1.0
95.08610	1.6
98.20747	0.6
98.97614	1.0
99.08115	0.5
103.05460	1.3
105.07034	1.5
106.04170	1.6
107.04961	3.0
107.08583	2.4
109.02876	1.2
109.99009	0.6
111.04456	1.0
117.03384	41.2
117.07033	0.7
119.04951	0.5
119.08655	0.7
121.06470	2.3
121.10120	2.4
125.05994	1.9
125.09637	0.7
130.96301	2.2
131.08577	0.7
133.06436	0.5
133.10147	1.0
134.03648	5.2
135.04413	4.2
135.08081	1.2
135.11688	6.1
139.03902	0.6
139.07545	0.6
145.02853	68.4
148.97357	1.6
149.05994	17.6
149.09604	1.1
149.13309	0.9
153.05455	2.7
153.97885	1.6
158.99678	0.6
159.11743	0.5
162.03119	1.7
163.03915	9.1
163.07617	0.8
167.06985	0.8
171.98927	1.8
177.05478	100.0
177.12766	0.9
177.16400	1.4
186.05510	1.4
195.02911	1.8
195.06479	1.9
195.08061	0.5
195.10175	1.7
195.13882	0.9
195.15733	0.8
201.62505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	Scytalone
Peak:m/z	Relative Intensity
53.03938	2.1
55.01876	21.8
55.05505	1.5
57.07068	0.8
58.06603	1.0
65.03909	0.9
67.05482	1.3
68.96331	0.8
68.99797	1.7
69.07047	1.2
69.18079	6.1
69.18487	1.2
71.01373	0.9
71.04986	0.7
77.03960	1.0
78.04693	1.7
79.05495	6.9
81.03403	2.0
81.07059	4.2
83.04955	1.4
84.04491	0.9
87.49606	0.7
89.03493	0.8
89.03933	8.9
89.06038	5.1
91.05478	6.0
93.03383	1.2
93.07027	3.2
95.04977	2.9
95.08588	2.4
96.08927	1.2
98.21544	1.7
100.02493	1.2
103.05474	43.9
105.03404	1.1
105.04498	1.0
105.07026	1.2
106.04190	12.9
107.04962	14.1
107.08603	2.2
109.10169	0.8
117.02635	1.0
117.03394	14.7
119.04964	1.4
121.02855	0.8
121.06507	9.2
121.10131	1.2
130.96277	1.2
131.04933	17.1
133.02802	1.3
133.08609	0.9
134.03647	4.8
135.04428	18.0
135.11671	0.9
139.03958	1.0
139.07558	0.9
145.02855	11.8
148.97380	1.0
149.05995	30.0
152.04662	3.0
153.97931	1.1
159.11690	0.9
162.03133	5.3
163.03915	38.3
165.56523	0.8
167.07076	4.1
171.98997	1.3
177.05481	100.0
177.14706	1.7
177.16422	1.5
180.04295	0.9
186.05524	1.1
195.02913	3.4
195.06529	17.4
195.08214	1.7
195.10158	1.1
195.13870	1.4
195.15752	21.1
195.17480	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	194.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	2.7
60.04524	0.4
61.92059	0.2
67.05499	2.1
68.05030	1.2
69.03451	0.3
70.06596	0.5
70.67925	0.5
70.68258	0.3
79.05475	0.4
81.07066	0.9
82.06589	1.7
84.04510	5.4
91.05473	0.9
93.07066	1.6
95.08615	18.3
96.08120	0.3
100.07616	0.9
105.07030	0.5
106.07378	0.3
107.08589	0.8
109.09466	0.4
109.10166	5.7
112.11244	0.4
117.07021	0.3
119.08603	2.2
120.08136	0.4
121.08842	0.3
131.08627	0.3
133.10126	0.8
134.06868	0.2
135.11699	0.8
137.09625	4.8
137.10609	0.5
145.02834	0.4
149.06009	0.4
149.13322	0.3
151.11194	0.5
159.11707	1.1
162.06352	0.6
163.03932	0.4
166.08580	0.3
176.14366	7.4
177.05363	0.3
194.15424	100.0
195.15746	1.1
205.47458	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	194.1178
Annotation	(-)-Salsoline
Peak:m/z	Relative Intensity
55.01857	0.5
56.05037	0.8
56.96570	1.2
57.36257	0.6
60.08275	0.4
65.29938	0.5
67.05507	0.6
68.05039	3.6
69.07044	0.5
70.06264	0.5
70.06602	6.7
71.24566	0.9
74.02426	0.7
79.05505	5.2
80.05040	0.8
80.06263	2.3
81.07061	9.1
85.02888	0.5
91.05473	2.4
93.05784	1.7
93.07052	3.0
94.06561	2.5
94.31074	0.6
95.08623	0.8
97.06536	1.2
98.97572	1.2
99.67477	0.5
103.31513	0.5
105.07049	4.9
106.06572	3.9
107.07349	1.2
107.08607	1.5
108.08107	1.9
110.09676	0.5
110.60628	0.5
114.05536	3.8
115.05443	1.0
117.07023	7.4
118.06517	0.7
119.07344	1.4
120.08125	5.7
121.06518	0.9
121.08886	1.3
121.10174	1.1
122.09706	2.7
125.02216	0.5
131.08543	3.2
133.08881	1.5
134.09677	3.7
137.04749	0.8
145.05426	0.6
145.06506	9.3
146.09674	1.2
148.11223	29.0
149.12001	3.2
150.12814	0.6
151.07524	3.0
152.07137	0.9
162.05489	0.6
162.06776	0.6
163.39119	0.5
164.07088	12.0
165.07887	1.6
165.09123	0.7
166.08665	1.6
166.12321	3.6
177.09126	8.6
178.08661	3.0
179.09502	1.2
184.59993	0.6
192.10201	6.8
194.11795	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1178
Annotation	(-)-Salsoline
Peak:m/z	Relative Intensity
51.56146	0.3
53.03944	0.4
53.83622	0.4
55.01897	0.4
55.05508	0.6
56.05035	0.6
67.05501	1.1
68.05032	3.8
69.52825	2.1
69.53230	0.8
70.06255	0.6
70.06602	8.0
74.02443	0.8
79.05499	6.2
80.05025	1.3
80.06289	2.6
81.06597	0.5
81.07067	9.3
90.54840	0.4
91.05491	1.5
93.05796	1.8
93.07076	3.7
94.06571	2.0
95.08610	1.0
97.06538	1.1
105.07045	4.6
106.06577	4.5
107.07353	1.5
107.08604	0.9
108.08112	1.7
110.09685	0.5
114.05540	3.5
119.07364	1.0
120.08128	5.3
121.06569	0.6
121.08868	1.4
121.10161	1.7
122.09693	4.1
131.08611	2.9
132.08122	1.0
133.08871	1.4
134.09668	5.3
137.04710	1.0
139.06479	0.4
146.09644	1.4
148.11226	28.8
149.12001	2.6
150.12813	0.8
152.07120	1.1
162.09224	0.5
164.07088	14.8
165.07845	2.2
165.09157	1.6
166.08647	1.4
166.12289	4.5
176.03473	0.8
177.09113	0.7
178.08627	3.2
179.09422	1.3
192.10246	6.1
194.11794	100.0
195.12012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03962	1.3
53.82356	1.1
55.01862	2.4
55.05511	6.2
57.03423	1.8
57.07064	2.2
67.05508	8.3
69.03422	1.7
69.07079	15.1
71.04994	8.7
79.05501	7.7
80.61254	1.3
81.03435	1.9
81.07066	21.4
83.04958	1.5
83.08602	5.0
85.06561	1.9
91.05495	10.4
93.07054	27.3
95.04950	3.2
95.08618	44.3
97.06533	4.5
99.08100	5.2
103.05473	2.9
105.07044	40.1
107.08605	39.9
107.64626	1.1
109.06516	4.6
109.09476	1.5
109.10170	13.8
111.08083	2.0
113.09663	3.3
115.05477	5.5
117.07018	1.5
117.83349	1.1
118.04155	1.9
119.08594	69.0
121.10143	12.3
123.08094	10.4
123.11723	9.9
131.08559	2.3
133.06517	15.2
133.10146	100.0
135.11705	69.6
137.09656	10.8
147.11719	8.2
147.44354	1.2
149.13280	2.9
151.11227	2.2
151.14835	1.4
160.12498	1.3
161.06000	21.4
175.14850	89.0
176.15144	1.5
180.52917	1.2
193.04915	3.2
193.08586	4.3
193.15898	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03946	4.6
55.01873	3.6
55.05518	8.8
57.03438	4.1
57.07067	4.2
59.04989	2.1
65.03924	2.5
67.05511	15.8
69.03428	3.3
69.07072	17.5
71.04994	10.5
71.52693	2.8
79.05502	19.2
81.03435	14.0
81.07065	26.3
83.04983	3.3
83.08626	7.2
85.06548	7.2
87.04476	1.9
87.82103	2.0
90.88770	1.6
91.05489	18.2
93.07051	28.4
95.04977	14.0
95.08617	36.6
95.09217	1.4
97.06522	5.1
98.97591	2.5
99.08110	16.0
103.05466	10.1
105.07037	90.7
107.04953	3.6
107.08608	48.8
109.06525	5.8
109.10155	22.8
111.08096	3.0
113.09660	2.3
115.05478	14.0
117.07025	4.7
118.04148	5.9
119.08593	64.5
121.06644	1.8
121.10133	14.9
123.08071	11.2
123.11722	10.9
129.07050	2.4
131.04942	2.8
131.08531	5.1
133.02901	2.4
133.06503	52.0
133.10144	100.0
135.08154	1.7
135.11696	73.7
137.05898	2.3
137.09628	16.2
143.06050	5.3
145.10162	3.1
147.08023	2.4
147.11708	13.9
149.13261	5.0
151.11272	4.0
154.01155	1.9
161.05998	76.8
165.07039	2.1
175.11296	2.6
175.14850	80.7
176.15259	2.4
178.02634	3.0
191.62120	2.0
193.04935	16.4
193.08607	19.1
193.10191	3.1
193.12259	5.6
193.15895	61.1
193.17671	3.2
194.15416	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	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03947	4.3
55.01876	2.4
55.05516	8.5
57.03428	1.4
57.07062	2.7
58.30245	0.9
59.05006	1.6
65.03940	2.3
67.05186	1.4
67.05513	21.9
69.03435	3.1
69.07071	14.2
69.38445	7.9
69.38789	1.9
71.05014	6.0
77.03962	0.9
79.05502	16.1
81.03426	56.0
81.07064	27.8
83.04976	4.4
83.08632	9.2
85.06544	4.0
86.09745	0.9
91.05487	19.5
93.07053	27.7
95.04979	22.6
95.08620	41.0
97.02881	1.2
97.06532	3.1
97.10191	1.2
98.21466	1.6
99.08105	9.8
103.05487	2.9
105.03397	1.0
105.07041	34.7
107.04953	5.1
107.08607	39.3
108.34612	1.0
109.06532	4.4
109.10162	14.3
111.04443	2.7
111.08101	2.9
113.09660	3.2
115.05459	4.8
117.07035	2.3
118.04157	1.8
119.04942	1.2
119.08592	62.3
121.06531	1.1
121.10141	12.2
123.08112	6.4
123.11728	8.0
129.07028	2.3
131.08575	5.2
133.02840	8.7
133.06516	14.0
133.10143	100.0
134.10420	1.0
135.11707	77.9
136.12073	1.1
137.05978	2.4
137.09615	8.1
142.07700	1.6
143.06075	1.2
145.10129	1.2
147.08063	2.0
147.11708	11.4
149.02316	3.5
149.09654	2.5
149.13304	1.6
151.11160	2.9
157.10141	3.8
161.06000	14.7
163.37480	1.1
165.05528	1.1
166.09967	1.0
175.07530	1.3
175.11252	2.7
175.14839	79.4
178.02650	5.5
193.04996	27.3
193.06766	2.0
193.08617	3.8
193.10574	2.2
193.12238	9.1
193.15907	35.7
193.17668	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
53.80000	0.9
55.01862	3.2
55.05512	23.9
57.03421	2.1
57.07059	4.0
65.03922	1.9
67.01851	1.3
67.05505	15.5
69.03420	2.6
69.07077	10.9
70.06561	1.2
71.04976	3.6
71.52161	1.4
72.08145	1.5
75.37699	0.9
79.05491	15.5
80.05809	1.0
81.03423	29.5
81.07062	27.4
83.04985	31.2
83.08620	5.5
85.02906	1.5
85.06538	3.1
87.61803	0.9
91.05481	13.9
93.07051	21.2
95.04977	14.0
95.08607	24.2
97.06516	2.3
97.10151	1.5
99.08091	4.6
103.05475	4.6
105.07036	51.0
106.06536	1.5
107.04926	2.9
107.06882	3.5
107.08602	27.5
109.06537	8.4
109.10157	25.6
111.04453	1.3
111.08078	3.4
111.11680	0.9
115.05468	8.6
117.07018	2.2
118.04178	3.9
119.04922	1.7
119.08588	34.9
121.06492	1.1
121.10159	9.3
123.04444	1.3
123.08076	7.2
123.11722	5.8
125.05958	1.2
129.06966	2.5
131.04910	1.4
131.08583	5.4
133.02846	2.1
133.06503	31.2
133.10138	45.9
134.10460	1.2
134.95036	0.9
135.10881	1.6
135.11694	43.5
137.06044	2.1
137.09619	19.6
143.06006	2.3
145.10112	1.4
145.46265	0.9
147.04442	1.7
147.06360	2.9
147.08064	2.0
147.11690	9.0
149.09596	1.4
149.13268	2.5
151.11194	2.1
151.14806	2.5
157.10104	2.6
160.12527	1.0
161.05988	42.2
175.07587	2.3
175.11230	3.4
175.14842	41.7
178.08110	1.5
193.04971	100.0
193.08653	7.9
193.10513	2.4
193.12204	7.5
193.15912	27.2
194.15465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03944	2.8
55.01873	5.4
55.05512	7.4
56.96542	0.9
57.03429	0.9
57.07077	2.0
59.04998	1.6
65.03944	1.3
66.09927	0.7
67.05516	9.1
69.03428	2.4
69.07076	9.6
69.76541	4.4
70.72439	0.7
71.05003	5.8
74.65168	0.8
77.03918	1.2
79.05504	19.2
81.02930	1.1
81.03427	21.8
81.07063	17.7
83.04988	4.9
83.08631	3.8
83.09041	0.9
85.06554	2.5
90.04690	0.9
91.05489	17.4
93.06480	1.6
93.07054	21.7
95.04988	10.8
95.08617	32.3
97.02882	1.2
97.06530	2.8
97.10177	0.8
98.21497	1.0
98.97585	1.2
99.08100	4.3
101.11233	0.8
103.05475	11.8
105.07043	100.0
106.06563	4.2
106.07259	1.4
107.04945	2.6
107.06911	11.1
107.08600	26.6
109.06549	5.0
109.10170	10.8
111.04427	1.5
111.08078	1.7
113.09639	2.3
115.05463	18.0
117.07024	2.5
118.04176	7.8
119.08594	55.4
121.06613	0.9
121.10149	11.5
123.08082	5.9
123.11719	5.1
125.09683	1.0
131.04922	2.5
131.08562	3.5
132.05710	1.9
133.02847	1.6
133.05017	1.1
133.06505	74.7
133.10144	77.9
134.06865	1.4
134.10521	1.0
135.08032	1.2
135.11707	46.7
137.06004	1.3
137.09636	4.6
143.04988	1.1
143.06033	6.4
145.10149	1.5
147.08029	0.9
147.11703	14.2
149.09593	1.2
149.13240	3.3
151.07591	1.0
154.47971	0.9
157.10114	2.4
161.05997	93.8
162.06355	0.9
165.12836	0.9
175.11234	3.2
175.14844	58.3
178.02715	1.0
193.05032	7.2
193.06737	1.2
193.08611	13.4
193.10388	0.9
193.12254	6.0
193.15904	29.2
205.04807	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03938	1.9
55.01870	4.5
55.05519	10.1
57.03441	11.8
57.07067	4.0
59.05010	1.8
63.25563	1.0
65.03942	1.4
65.44486	1.1
67.05511	17.4
69.03401	1.4
69.07074	24.9
69.47163	8.6
70.83000	1.0
71.05000	44.0
72.04518	15.1
78.03352	1.3
79.05497	21.3
79.06607	1.1
81.03423	10.6
81.07063	33.7
82.72500	1.1
83.05005	7.6
83.08624	4.4
85.06546	15.6
87.97437	1.1
91.05486	18.7
93.06485	1.9
93.07051	31.2
95.04980	16.3
95.08616	40.4
97.06546	6.5
97.10173	5.8
98.20748	1.7
99.08077	4.4
103.05468	13.2
105.07037	97.0
107.04947	3.3
107.08602	39.5
107.50981	1.1
109.06523	25.3
109.10163	36.3
111.04430	1.8
111.08095	6.3
111.11725	8.0
115.05467	17.3
117.07047	2.9
118.04152	10.1
119.08591	45.9
121.06479	2.4
121.10155	15.2
123.04446	2.1
123.08086	28.7
123.11713	41.1
129.07053	1.6
131.04912	2.9
131.08540	2.5
133.02856	2.0
133.06505	73.3
133.10141	50.5
135.08124	2.6
135.11700	54.6
137.05962	3.1
137.09621	12.4
142.07747	1.8
143.04994	2.1
143.06056	7.7
145.10075	1.9
146.97498	1.6
147.08066	3.3
147.11684	13.2
149.02359	1.2
149.09618	2.2
149.13283	8.1
150.03389	1.5
151.03935	1.3
151.07555	2.8
151.11203	3.1
151.14790	2.3
157.10150	1.6
160.12531	1.1
161.05997	97.9
162.06465	1.4
165.05568	1.1
165.09096	1.3
165.12730	1.8
175.11201	5.2
175.14835	71.2
177.49280	1.1
178.02640	1.7
188.89827	1.2
193.04944	9.0
193.08629	21.9
193.10310	2.5
193.12196	22.5
193.15897	100.0
195.51237	1.2
208.45886	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
50.90416	1.5
51.02372	2.1
53.03939	6.3
55.01866	9.3
55.05506	7.3
56.96566	5.5
57.03442	86.3
57.07074	2.0
59.04984	2.4
65.03934	4.5
67.05179	2.2
67.05510	24.3
69.03423	5.3
69.07066	4.4
71.04980	4.5
72.08160	2.3
74.98507	2.3
75.04475	4.2
79.05505	25.7
81.03432	22.2
81.07055	19.2
83.04987	6.9
83.08620	3.8
85.06528	8.3
91.05487	67.1
93.07052	75.4
95.04976	26.0
95.08600	13.1
97.06523	5.6
103.05486	11.9
105.04494	3.0
105.07040	96.0
107.04968	4.0
107.08598	13.7
109.06499	9.8
109.10162	11.6
111.08110	2.4
115.05465	14.3
117.07030	12.8
118.04160	3.5
119.04952	4.2
119.08591	100.0
119.70264	1.8
120.05257	3.1
121.06512	61.7
121.10151	3.3
123.04429	2.8
123.08057	6.7
123.11702	3.7
125.40533	1.5
128.14717	1.8
129.07007	6.9
131.04936	2.8
131.08551	8.5
133.02837	5.7
133.06509	57.4
133.10135	41.2
135.08124	8.6
135.11690	8.0
137.05992	4.7
137.09637	27.2
142.07788	5.7
143.06079	3.4
143.85869	2.5
145.06554	3.8
145.10126	3.0
146.07265	11.6
146.97420	5.3
147.04329	2.8
147.08063	42.1
147.11694	41.6
149.02347	1.8
149.05992	2.8
149.09605	3.7
149.13287	2.7
151.07553	3.0
151.11151	2.8
157.10127	10.6
160.08820	6.8
161.05997	58.3
162.06616	2.3
164.11575	2.4
165.09148	3.7
165.12830	2.8
169.99022	4.1
175.11198	52.6
175.14778	9.9
178.02606	5.3
193.04968	25.5
193.08624	17.1
193.10292	3.7
193.12241	26.3
193.13957	3.5
193.15887	10.5
193.17632	3.8
194.15422	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
54.27457	0.9
55.05510	9.6
57.07074	2.2
59.05012	1.1
60.82352	1.1
62.23530	1.0
67.05503	8.2
68.88469	0.9
69.07074	29.2
69.24757	5.9
69.25161	2.3
71.04998	15.5
79.05514	6.4
81.07058	20.6
83.04971	1.2
83.08620	3.4
85.06553	9.4
91.05484	6.4
93.07050	24.6
95.01200	0.9
95.04977	28.5
95.08616	18.3
97.06523	3.2
97.10174	10.4
97.60710	1.0
99.08059	5.1
105.07032	12.2
107.08598	26.5
109.06527	100.0
109.10168	16.4
111.08074	6.5
111.11716	3.5
119.08595	23.6
121.10145	7.6
123.08077	4.8
123.11718	21.4
133.10143	21.6
135.11699	31.5
137.09625	10.7
147.11679	2.5
149.13260	9.8
151.11200	4.2
165.09044	1.4
175.14839	41.5
193.05013	2.4
193.10164	1.8
193.15889	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1226
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02388	1.3
53.03950	9.1
55.01861	4.2
55.05518	6.9
56.96560	1.9
57.03424	4.8
57.07070	1.7
59.05001	2.3
65.03930	3.5
67.05511	28.3
69.03431	1.9
69.06799	1.0
69.07077	11.5
71.05009	11.5
71.52576	1.4
72.08139	1.6
73.06551	1.9
77.03914	2.6
79.05500	65.8
81.03425	20.9
81.07058	22.8
83.04964	8.1
83.08605	4.6
85.06535	4.4
85.61916	1.1
91.05490	84.6
91.58429	1.1
93.07053	100.0
95.04978	23.3
95.08597	6.9
97.06509	2.5
99.04449	1.8
103.05468	7.4
105.03403	1.2
105.04507	5.0
105.07043	77.7
107.04966	4.7
107.08605	6.5
109.06533	10.2
109.10140	3.4
111.04473	1.6
111.08080	2.5
113.06000	3.3
115.05480	13.0
117.07000	2.4
118.04159	4.2
119.08601	21.5
121.06504	1.7
121.10112	2.8
123.04385	1.8
123.08102	2.5
123.11723	2.3
127.07584	1.3
128.06226	1.9
128.98615	1.3
129.07014	18.1
131.04991	2.6
131.08577	20.9
133.02829	1.8
133.05484	2.4
133.06502	41.1
133.10141	74.9
135.08061	1.9
135.11690	4.7
137.06042	2.6
137.09604	2.6
141.35599	1.0
142.07784	3.3
143.05048	1.1
143.06047	4.2
143.38885	1.2
146.97461	4.0
147.08081	6.1
147.11697	18.6
149.02370	2.7
149.05946	1.3
149.09576	2.7
150.03070	1.2
151.03896	1.3
151.07509	1.2
157.10152	20.8
161.06003	46.0
165.05478	1.7
165.12759	1.6
169.99034	1.6
175.11205	20.3
175.14832	4.6
178.02628	1.4
178.07884	1.9
193.04967	17.4
193.06642	2.2
193.08595	14.3
193.10289	3.8
193.12251	27.3
193.14073	1.6
193.15884	4.8
193.17601	1.9
194.15367	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1227
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02414	0.6
53.03958	1.3
55.01875	3.5
55.05515	4.5
56.96576	0.9
57.03445	1.1
59.05009	0.6
63.22459	0.6
65.03961	1.3
67.05510	15.9
69.03433	1.6
69.07079	5.3
70.06596	1.1
71.05009	5.5
71.51597	0.7
77.03946	0.7
79.05500	19.3
81.03432	1.9
81.07070	14.1
83.04990	5.4
83.08609	0.9
85.06568	2.3
87.04483	2.7
90.04697	1.0
91.05492	65.8
93.07055	13.2
95.04970	4.7
95.08625	7.6
97.06553	2.7
98.97604	0.9
99.04465	0.7
103.05477	8.5
105.03412	1.2
105.07043	83.1
106.06592	1.2
107.04948	3.6
107.06898	1.1
107.08603	9.9
109.06532	4.6
109.10168	4.7
111.04457	1.0
115.05473	13.0
117.07025	2.2
118.04177	4.2
119.04955	1.5
119.08594	18.7
121.06546	1.6
121.10135	3.7
123.04462	1.0
123.08086	2.3
123.11716	0.7
125.06000	2.5
125.34898	0.5
129.07021	3.3
131.04938	2.0
131.08585	12.3
133.02864	5.5
133.06511	54.5
133.10146	100.0
134.10507	0.8
135.08054	1.1
135.11700	2.1
137.05989	3.1
143.04951	1.6
143.06065	4.2
145.10124	4.0
147.04478	1.4
147.06410	1.1
147.08073	5.4
147.11703	23.7
148.04779	0.6
149.05927	0.8
149.09645	14.7
149.13322	0.9
151.07533	1.6
151.11194	3.9
157.10156	3.6
160.08784	0.8
161.06004	55.4
162.06436	0.6
165.05576	1.5
165.07010	0.9
165.09097	0.8
165.12772	2.2
175.03864	1.1
175.07658	0.9
175.11214	27.9
175.14742	4.1
178.02638	3.4
178.08199	3.3
193.04979	20.8
193.06583	0.8
193.08618	12.5
193.10522	6.5
193.12271	24.0
193.15923	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	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03946	1.7
55.01878	3.7
55.05511	2.5
56.96574	1.0
57.03453	3.4
57.07087	0.9
59.05029	0.7
65.03958	0.8
66.04768	0.6
67.05502	3.7
69.03445	0.7
69.07073	2.2
71.04999	0.7
71.52365	0.9
79.05508	12.0
81.03435	2.4
81.06620	1.0
81.07063	5.9
83.05003	4.1
83.08626	0.8
84.71722	0.5
90.04704	0.6
91.04967	1.0
91.05492	9.5
93.07057	5.2
93.24715	0.6
95.04977	3.5
95.08613	4.8
97.06535	1.4
103.05476	11.7
105.07047	85.4
106.07368	1.0
106.80917	0.6
107.04974	1.1
107.08620	2.9
109.06523	2.2
109.10159	2.9
111.08093	0.8
115.04697	1.2
115.05472	16.5
115.06283	0.9
117.07044	0.8
118.04166	7.6
119.05006	0.8
119.08603	8.1
121.10156	2.0
123.08076	2.4
123.11691	1.0
129.06990	0.9
131.04942	3.5
131.08638	0.7
132.05748	1.2
133.06512	72.7
133.10144	5.4
135.08093	1.1
135.11700	2.2
137.05991	1.4
137.09592	1.2
143.04936	2.1
143.06071	6.6
146.97488	1.9
147.08038	0.6
147.11726	3.5
149.02377	0.8
149.09595	0.9
149.13322	1.4
151.07593	1.2
151.11186	0.7
160.05119	0.7
161.06007	100.0
165.05557	0.6
165.12779	0.9
169.99110	1.2
175.11212	2.6
175.14836	5.3
178.02661	1.3
178.07782	1.1
183.76186	0.5
193.04965	8.2
193.06917	0.7
193.08623	15.4
193.10211	1.7
193.12234	4.4
193.14349	0.9
193.15924	6.7
193.17664	1.3
194.08069	0.6
194.15509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03954	1.0
55.01881	3.6
66.04723	0.5
70.09530	0.4
71.17030	1.0
74.22975	0.5
77.03938	0.6
79.05501	8.9
85.65314	0.5
90.04719	0.9
91.05485	3.9
95.04990	0.9
103.05481	11.8
104.06232	0.7
105.07043	83.1
106.07368	0.6
115.05463	16.7
115.06287	0.9
118.04168	7.9
119.05002	0.8
131.04947	3.3
132.05714	1.3
133.06505	76.9
134.06834	0.8
143.04948	1.4
143.06041	7.2
152.33083	0.5
161.05998	100.0
162.06406	1.4
178.51007	0.5
182.04239	0.4
193.08621	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	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03952	1.4
55.01891	3.6
55.05519	4.2
56.96572	8.2
66.04708	0.7
70.64269	1.6
77.03954	0.9
79.05502	18.7
79.05971	0.9
80.05886	0.8
81.07048	0.6
82.00958	0.6
90.04712	1.1
91.05482	5.8
95.04981	1.5
95.08578	0.6
98.38432	0.7
103.05486	11.5
103.63056	0.6
105.07043	81.9
106.07399	0.6
107.05025	0.6
107.08604	4.1
113.46368	0.6
113.80331	0.6
115.05470	18.0
118.04168	8.4
122.99923	1.0
126.02304	0.7
128.03883	0.6
131.04945	2.8
132.05666	0.9
133.06508	72.5
134.06866	0.7
141.00992	2.7
142.57036	1.3
143.04948	2.0
143.06073	8.3
145.07875	0.5
146.04832	0.8
151.57510	8.4
152.07698	1.5
159.02092	1.4
160.58058	28.8
161.06001	100.0
161.08223	5.5
162.06334	1.4
163.08298	1.5
163.58521	0.6
169.58575	6.0
170.08698	1.3
172.08875	3.6
172.59021	0.9
190.73383	0.7
193.05009	1.9
193.08604	11.8
196.06456	1.4
214.07535	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.55503	0.5
51.94094	0.8
53.03935	0.8
55.01878	3.3
66.04746	0.5
67.05491	0.6
68.94360	0.7
69.50851	3.0
75.51382	0.5
79.05489	8.0
81.07065	0.6
83.93060	0.8
90.04709	0.5
91.05476	4.2
93.07040	0.8
95.04965	1.6
95.08615	0.8
102.04619	0.6
103.05470	11.1
104.06277	0.5
105.07037	78.5
106.07372	1.0
107.08607	1.3
109.06519	0.7
110.95370	1.3
115.05457	16.8
118.04169	8.3
128.96417	7.7
131.04932	2.6
132.05725	1.1
133.06500	71.5
134.06865	0.9
135.11702	0.7
143.04929	1.3
143.06027	7.0
146.97446	24.6
151.97923	1.2
161.05992	100.0
162.06439	0.8
164.67189	0.5
169.99049	17.1
175.14790	0.9
178.75780	0.6
178.96468	1.9
193.00635	3.3
193.04909	0.9
193.08603	12.1
193.10326	0.9
193.12228	0.7
194.15341	0.5
201.98000	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
50.67385	0.5
53.03951	1.8
53.16843	0.5
55.01877	3.8
55.05523	1.3
56.96566	1.4
57.22546	0.5
58.26913	0.5
66.04705	0.8
67.05509	2.1
69.03442	0.8
69.07081	1.3
69.27569	0.5
69.59306	4.0
70.37786	0.6
71.05001	0.6
79.05502	10.7
79.34133	0.5
81.03432	0.7
81.07072	2.7
83.05004	0.9
85.06527	0.7
89.03928	0.6
91.05482	8.9
93.03426	0.9
93.07067	2.5
95.04978	2.8
95.08600	2.9
97.06508	0.6
103.05473	10.9
104.06292	1.3
105.03408	0.7
105.07040	88.4
107.04990	2.0
107.08633	3.0
109.06511	1.9
109.10156	2.7
115.05463	19.1
117.00805	0.5
117.07009	0.6
118.04171	10.2
119.04939	2.0
119.08576	5.3
121.10172	1.3
123.04483	1.1
123.08096	1.8
131.04973	3.4
131.08615	0.7
132.05695	2.1
133.02831	1.9
133.06503	78.1
133.10124	5.6
134.06894	1.2
135.11700	2.7
136.51158	0.6
137.05922	2.6
137.09637	0.9
143.04945	1.4
143.06030	6.8
147.04422	2.7
147.08069	0.7
147.11662	2.6
149.02356	0.7
149.06020	1.1
150.03142	1.2
151.03946	1.2
151.07498	0.8
151.11230	1.0
157.10066	0.5
161.05995	100.0
162.06485	0.9
165.05511	1.1
165.09074	1.0
169.05046	0.6
170.04167	2.0
175.03920	5.2
175.11162	1.0
175.14838	2.6
178.02649	1.9
179.04723	0.6
193.04974	21.4
193.06558	0.9
193.08601	23.9
193.12267	2.4
193.15865	3.0
194.15413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03949	1.7
55.01884	2.9
55.05532	0.5
56.96579	0.8
57.07077	0.6
62.23383	0.6
63.00355	0.5
67.05510	0.7
69.48926	3.8
79.05498	11.7
81.07064	2.0
83.04990	0.7
87.04523	0.6
90.04699	0.8
91.05481	5.3
93.07041	1.8
95.04984	1.5
95.08595	1.3
98.20766	1.2
103.05482	12.0
105.07040	80.9
106.07397	1.5
107.08598	2.2
109.06515	0.6
109.10152	1.2
110.97506	0.8
115.05466	19.8
118.04158	7.9
119.08590	1.4
131.04909	3.2
132.05742	0.9
133.06503	74.9
133.10117	1.4
134.06905	0.8
135.11758	0.9
143.04938	1.6
143.06055	6.0
146.97487	0.8
147.11708	0.9
149.05952	1.0
152.07690	0.7
160.58057	1.7
161.05995	100.0
162.06516	0.9
169.99023	1.6
175.14850	1.3
177.79832	0.7
178.02692	0.6
178.07773	0.7
193.04906	5.0
193.08607	13.0
193.10274	1.5
193.12196	1.5
193.15953	1.8
194.15393	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03955	1.1
55.01877	4.0
55.05527	1.6
57.03437	0.7
57.07074	0.9
58.21820	0.7
59.05025	0.8
67.05506	1.9
69.07082	2.2
70.06628	0.9
71.04978	0.8
71.51689	1.1
77.03935	0.8
79.05511	12.8
80.05830	0.9
81.03430	1.3
81.07055	3.3
83.04991	2.0
89.02801	0.6
91.05495	13.5
91.06000	0.5
93.07069	3.1
95.04976	3.3
95.08607	2.7
97.06497	0.7
97.11810	0.6
101.10345	0.7
103.05473	11.6
105.07044	93.4
106.06559	4.3
106.07253	0.8
107.04979	1.3
107.06899	11.5
107.08596	2.6
109.06521	1.6
109.10170	2.2
115.05468	18.5
118.04176	9.0
119.08607	6.3
121.10165	1.2
123.04478	0.8
123.08122	1.1
123.11710	0.6
125.06001	0.8
131.04982	3.0
131.08572	3.3
132.05699	1.4
133.02898	2.3
133.06511	73.0
133.10144	34.5
135.11690	1.7
137.06015	2.0
137.09630	1.9
143.04948	1.7
143.06067	6.7
147.02171	0.6
147.04478	1.2
147.08090	1.0
147.11732	5.5
149.05995	0.9
149.09590	0.8
150.03102	0.6
151.07649	0.8
151.11194	1.7
161.06001	100.0
162.06332	1.4
175.07663	0.9
175.11127	3.1
175.14856	2.7
178.02638	1.0
191.60429	0.8
193.04993	19.5
193.06671	1.1
193.08626	15.6
193.10374	0.9
193.12216	7.1
193.15910	2.8
209.11411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01884	2.9
55.05532	0.5
56.96579	0.8
57.07077	0.6
62.23383	0.6
63.00355	0.5
67.05510	0.7
69.48926	3.8
79.05498	11.7
81.07064	2.0
83.04990	0.7
87.04523	0.6
90.04699	0.8
91.05481	5.3
93.07041	1.8
95.04984	1.5
95.08595	1.3
98.20766	1.2
103.05482	12.0
105.07040	80.9
106.07397	1.5
107.08598	2.2
109.06515	0.6
109.10152	1.2
110.97506	0.8
115.05466	19.8
118.04158	7.9
119.08590	1.4
131.04909	3.2
132.05742	0.9
133.06503	74.9
133.10117	1.4
134.06905	0.8
135.11758	0.9
143.04938	1.6
143.06055	6.0
146.97487	0.8
147.11708	0.9
149.05952	1.0
152.07690	0.7
160.58057	1.7
161.05995	100.0
162.06516	0.9
169.99023	1.6
175.14850	1.3
177.79832	0.7
178.02692	0.6
178.07773	0.7
193.04906	5.0
193.08607	13.0
193.10274	1.5
193.12196	1.5
193.15953	1.8
194.15393	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03944	1.4
54.96437	0.5
55.01879	2.9
56.96583	1.0
64.81422	0.4
79.05504	7.9
81.07039	0.8
90.04729	1.1
91.05495	4.5
93.07098	0.7
95.04979	1.2
95.08595	0.5
97.06499	0.7
101.63706	0.4
103.05487	10.9
105.07048	76.1
106.07401	0.5
107.05000	0.7
107.08623	0.6
109.10201	0.7
111.43753	0.5
115.05475	16.6
118.04180	7.5
119.08578	0.7
129.07031	0.8
131.04967	2.9
132.05731	0.9
133.06511	71.1
134.06911	0.8
135.11641	0.7
137.06001	5.2
143.04947	2.0
143.06061	5.6
151.07645	0.5
160.58049	0.7
161.06006	100.0
162.06554	1.2
165.09052	0.6
175.07599	0.8
175.14857	0.6
178.02644	0.6
178.06165	0.7
181.58580	0.9
193.04932	2.4
193.08623	13.7
193.10297	0.8
193.15848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01871	3.3
55.05514	0.9
56.96581	3.0
57.07080	1.8
58.76483	0.5
60.26680	0.5
63.77824	0.5
65.03946	0.9
67.05507	0.9
70.05006	1.7
70.05418	1.2
70.07439	0.6
77.03926	0.7
77.76791	0.6
79.05500	13.3
83.05029	0.6
90.04695	1.1
91.05484	5.5
93.07055	1.3
95.04990	1.4
95.08612	0.9
98.21415	0.8
103.05489	10.4
104.06229	0.7
105.07042	86.9
106.07298	0.7
107.04946	0.9
107.08615	1.6
109.10150	0.9
115.05466	17.6
117.07045	0.7
118.04173	9.5
119.08617	0.9
121.02842	0.7
123.08094	1.0
131.04959	3.0
132.05707	1.6
133.02840	1.2
133.06505	78.3
133.10117	1.4
134.06836	0.8
137.05995	1.6
137.09604	0.7
141.00999	0.7
143.04951	1.5
143.06065	6.4
146.97533	0.8
147.11722	1.2
149.02368	3.6
149.03366	0.7
151.57506	1.4
157.62427	0.6
159.02031	0.9
160.58047	7.0
161.05997	100.0
162.06364	1.2
163.03900	0.6
169.58635	1.2
169.99072	1.0
170.08694	0.6
172.08856	2.3
172.40173	0.5
172.59097	0.7
175.14752	0.7
178.02602	0.7
178.06300	0.6
178.07829	0.8
190.13596	0.6
193.04959	9.2
193.08618	14.8
193.10075	1.0
193.12253	1.2
193.15851	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03948	1.5
54.41213	0.6
55.01864	3.1
70.14722	2.5
77.03915	0.7
79.05499	9.7
89.03941	1.1
90.04698	1.4
91.05495	3.4
103.05477	12.9
104.06270	0.9
105.07037	84.3
115.05459	18.0
118.04175	10.9
131.04918	2.5
132.05696	0.9
133.06500	72.0
143.04930	1.6
143.06047	5.7
149.05974	0.7
161.05989	100.0
193.08620	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	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03949	1.8
55.01871	3.4
59.05006	2.8
66.03865	1.0
67.05492	1.6
71.09885	3.0
79.05495	10.9
81.03452	1.5
81.07067	2.3
91.05473	6.2
93.07049	3.3
95.04978	1.6
95.08587	2.1
103.05478	11.3
105.07039	92.2
107.08588	4.4
109.10165	1.8
115.05461	23.3
118.04157	9.2
119.08578	3.8
131.04933	3.4
133.06500	80.2
133.10094	5.7
135.11729	6.9
143.06032	6.9
161.05995	100.0
170.40579	1.1
175.14833	3.7
178.08037	1.2
178.84834	1.3
193.04955	2.3
193.08595	14.2
193.10136	2.5
193.15874	4.7
193.17551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1384
Annotation	Phendimetrazine
Peak:m/z	Relative Intensity
52.45837	1.0
53.03946	1.2
55.05510	5.5
56.96564	2.7
60.04527	1.6
67.05511	11.9
67.08340	1.1
69.03433	1.8
69.07072	2.8
70.06721	4.8
72.04509	5.2
79.05502	34.9
81.03419	2.3
81.07052	11.3
83.04983	1.5
83.08607	1.4
86.06076	1.8
91.05490	32.1
93.06487	2.1
93.07053	38.6
95.04957	2.5
95.08635	5.6
98.06068	8.4
103.05471	1.1
105.07043	34.9
106.06593	1.9
107.04951	4.2
107.08609	51.2
109.10169	7.1
110.09690	2.9
115.05415	1.6
117.06979	1.7
119.06112	1.6
119.08587	21.4
121.10156	3.3
129.07016	2.5
131.08546	7.6
133.06508	21.7
133.10146	35.9
136.04819	1.9
146.06047	2.8
147.08043	3.2
147.11702	58.5
149.13298	12.3
151.57552	4.8
157.10132	3.2
160.05116	5.7
160.21753	1.2
160.58099	9.3
161.05989	4.7
163.05952	2.0
169.58588	2.4
172.08853	1.9
174.12769	1.3
175.05928	1.4
175.11200	33.9
192.06488	2.2
192.10176	4.3
192.13849	100.0
192.17444	7.9
193.08701	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1384
Annotation	N,N-Diethylphenylacetamide
Peak:m/z	Relative Intensity
53.03934	4.1
55.01864	2.7
55.05505	4.2
60.04528	1.7
65.03938	1.8
67.05511	17.7
69.07079	6.4
70.06577	1.6
70.10376	1.3
70.10715	4.1
71.08616	3.1
72.04509	4.5
72.08157	3.2
77.03928	1.5
79.05502	70.6
81.03418	5.3
81.06594	1.5
81.07065	26.0
83.04977	2.0
83.08627	1.8
84.04512	1.4
84.08157	1.1
86.06069	2.4
91.05489	57.9
93.06489	1.8
93.07050	29.6
95.04975	2.9
95.08630	8.5
96.08140	1.7
97.06525	3.7
98.06070	14.6
98.21227	3.1
98.61882	1.1
104.13255	1.2
105.07042	53.0
107.04971	2.4
107.08607	73.6
109.06507	2.1
109.10145	2.3
110.09683	1.4
114.09183	3.9
115.05526	1.2
118.06456	1.3
119.06084	2.7
119.08597	15.0
121.06478	1.5
121.10153	4.0
124.07603	2.5
129.06995	3.6
131.08583	32.5
133.06491	10.8
133.10138	36.4
136.07532	1.3
137.08336	2.4
142.07793	1.6
145.10135	1.2
147.07990	2.2
147.11699	80.3
149.13278	20.5
150.09143	3.2
157.10136	3.4
161.05992	5.4
164.10735	1.3
164.14308	2.7
174.12830	1.7
175.11205	27.3
183.35573	1.2
192.13847	100.0
196.01939	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.102
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
51.46231	1.1
53.03937	2.1
55.01874	1.6
57.05806	1.4
58.02966	9.2
60.04515	2.7
65.03940	1.2
65.95333	0.8
70.57735	2.3
70.58082	1.3
78.04714	4.0
79.05501	10.7
79.75436	0.9
80.05014	2.4
82.72127	0.9
89.03925	2.1
91.05489	33.8
92.06287	4.6
94.02870	1.2
94.04181	5.2
95.04995	7.8
98.06060	1.6
103.05444	1.8
104.04983	1.3
104.06200	1.1
105.07040	18.3
106.06573	6.3
107.04966	38.8
110.71461	1.0
115.05430	2.9
116.06241	1.5
117.05771	29.7
117.06981	6.5
118.04229	5.3
118.06559	28.4
119.04959	29.9
119.07326	2.8
119.08598	4.3
120.04462	3.4
120.05727	6.9
121.06567	1.2
122.06007	1.3
128.06168	1.1
129.07021	7.6
130.06508	1.8
130.07765	1.8
131.04956	2.1
131.07286	1.8
131.08571	10.5
132.04506	1.6
132.05693	3.0
132.08070	8.0
133.05249	5.2
133.06496	21.0
134.06052	8.5
134.07274	42.7
135.06804	14.6
135.08044	19.9
137.05901	1.6
141.07019	1.6
145.06482	5.0
146.06090	6.0
146.07199	1.6
146.09659	10.3
147.07013	1.3
147.08063	30.2
147.10423	3.6
148.07593	0.9
148.08830	2.7
150.05486	2.3
152.07149	1.2
156.08096	1.6
158.07262	1.5
159.06799	7.9
159.08064	7.1
160.05043	4.4
160.07570	14.8
160.08855	20.8
161.05975	4.1
164.07103	1.4
173.70613	0.9
174.09172	7.2
174.88179	1.0
175.09941	100.0
192.10208	55.8
192.13869	1.8
192.17471	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	192.102
Annotation	5-Methoxytryptophol
Peak:m/z	Relative Intensity
53.03947	1.9
57.05818	1.2
58.02960	6.9
60.04525	2.0
65.24896	0.8
66.04738	0.9
67.05496	0.8
69.24936	1.3
69.25341	5.5
78.04703	3.6
79.05495	9.3
80.05019	1.6
91.05488	31.6
92.06274	4.3
92.84690	0.8
93.07005	0.9
94.02929	1.5
94.04191	5.4
94.06586	1.0
95.04984	8.7
98.06041	2.7
98.21516	1.9
103.05429	2.0
104.06239	2.2
105.07037	14.4
106.06564	6.1
106.07814	1.1
107.04964	37.4
108.05744	1.3
115.05430	2.2
116.06171	1.4
117.04910	1.3
117.05769	27.1
117.06980	5.3
118.04188	6.1
118.06553	30.9
119.04114	1.6
119.04948	29.1
119.07319	3.4
119.08576	4.8
120.04462	3.1
120.05772	6.5
121.06485	1.8
122.06020	1.3
128.06218	1.4
129.07021	6.4
130.06500	2.2
130.07808	1.5
131.04971	3.0
131.07408	1.9
131.08562	8.8
132.04453	2.3
132.05710	3.1
132.08104	9.5
133.05244	4.9
133.06493	18.1
134.06041	7.3
134.07274	40.9
135.06793	15.9
135.08041	15.8
137.05945	0.8
141.07050	1.9
144.05708	1.7
145.06511	5.9
146.06035	7.6
146.09698	8.0
147.06853	1.2
147.08044	20.4
147.10413	3.1
148.07611	1.2
148.08775	1.8
150.05505	2.6
151.02896	1.1
152.07062	2.5
156.08054	2.0
157.06520	1.1
158.07283	1.4
159.06792	6.6
159.08080	8.0
160.05106	4.6
160.07574	15.0
160.08852	20.6
161.05981	1.9
164.07045	2.0
169.07655	2.0
174.09158	8.1
175.09938	100.0
177.07840	1.9
177.15225	0.9
192.10204	53.1
192.13925	2.8
192.17464	4.9
199.04506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.9824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	2.2
57.03454	2.7
60.05664	10.5
68.03716	2.2
69.03439	3.1
69.79736	1.9
70.06599	86.6
70.36549	6.8
71.04999	17.7
72.08154	2.7
73.02930	5.4
84.08138	9.1
85.02911	4.3
86.06071	4.4
88.07619	3.2
97.02892	2.6
98.09711	2.9
101.00898	2.5
107.06929	2.6
112.08739	3.3
114.05540	4.1
116.05860	2.7
116.07135	7.5
123.02942	2.4
128.01910	2.4
130.08644	5.9
130.09720	3.4
133.06870	3.1
133.08516	2.2
134.06006	4.6
135.06364	12.3
143.01918	5.3
146.02898	3.0
146.06026	4.2
146.08113	2.2
146.09216	4.5
146.11757	17.4
147.06389	18.8
148.07607	6.1
149.07967	10.1
155.01936	4.0
160.07587	20.9
161.07947	61.4
162.05533	20.2
163.05862	100.0
164.07062	2.2
174.07439	14.2
174.08775	49.7
175.05872	22.8
177.07858	11.6
191.98257	33.6
192.08525	15.6
192.10190	26.5
192.12090	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	192.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03325	0.1
65.49549	0.1
69.38316	1.0
79.05501	10.8
87.00838	2.8
104.04981	0.2
105.03409	0.3
105.07056	0.3
106.06565	100.0
107.04964	0.6
107.06882	0.6
121.06506	0.2
127.16812	0.1
132.04465	6.6
132.08925	0.3
133.06497	0.1
133.10190	0.2
134.10474	0.5
146.06013	0.8
148.07619	0.2
148.12057	0.1
160.05122	0.9
164.47415	0.1
174.05472	0.2
174.13672	0.3
187.23540	0.1
192.06516	3.0
192.10112	0.7
192.14488	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
55.05518	1.3
56.05043	1.2
56.41079	0.5
56.96568	0.7
57.03440	1.0
57.07092	0.8
58.06601	0.6
58.97480	0.5
59.05013	0.8
60.04530	0.7
60.05656	13.9
60.05965	0.9
61.02936	0.6
67.05476	0.6
68.05031	1.6
69.03436	3.6
70.06602	100.0
70.22301	1.7
71.01389	0.5
71.05003	21.9
71.06936	0.5
72.08169	4.5
73.02926	1.6
74.06096	3.7
78.31255	0.4
79.05518	0.4
80.05035	0.4
81.03422	0.5
82.06605	0.6
83.04946	0.4
84.04523	2.0
84.08150	9.5
85.02919	2.0
85.07614	0.4
86.06082	4.3
86.09723	0.8
87.04498	2.5
88.04022	0.6
88.07641	4.1
88.14993	0.4
91.80165	0.5
96.04504	0.5
96.17637	0.4
97.02887	1.1
98.09731	1.1
98.97619	0.9
100.07640	0.6
101.00923	0.6
102.09190	3.7
103.48933	0.5
104.07094	0.7
105.07045	0.9
106.06550	0.6
110.06025	0.5
110.09710	1.1
111.04440	0.7
111.05605	0.5
112.08725	4.2
114.05549	8.0
115.03949	3.3
119.01920	0.6
119.06915	0.5
123.02922	0.5
128.01892	0.6
128.07097	3.2
128.08121	1.1
128.10747	2.1
129.02966	0.6
129.58704	0.4
130.08673	3.2
130.09775	4.5
131.01933	0.7
132.06577	1.6
133.06860	0.7
134.06032	0.8
135.06380	1.5
137.05980	0.7
138.03418	0.9
141.05450	0.6
143.01938	1.0
143.02905	0.5
145.03511	0.6
146.02962	0.7
146.04485	1.0
146.06085	2.4
146.08107	2.7
146.09277	5.4
146.11774	38.8
147.06381	3.4
148.07561	0.6
151.53636	0.5
155.02026	0.8
156.06538	2.6
156.07643	0.5
160.05069	3.4
161.02936	0.9
161.07973	1.8
162.05531	3.9
163.05872	19.0
164.07071	0.6
173.02962	2.1
174.07568	4.2
174.08775	69.4
174.11266	2.9
175.05884	4.9
185.02930	0.5
192.06519	1.2
192.08499	4.5
192.10007	4.7
192.12308	10.1
192.13875	0.7
192.15970	0.7
192.17421	2.2
203.03957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03941	4.0
55.01864	4.0
55.05522	10.1
57.03434	2.7
57.07063	2.5
65.03934	1.4
66.04691	1.5
67.05510	19.6
69.03423	5.1
69.07078	12.0
70.17957	4.2
71.04999	19.6
72.08154	3.6
79.05088	1.8
79.05508	21.8
81.03419	4.1
81.07062	20.1
83.04981	4.9
83.08620	4.8
85.06535	9.0
90.03319	1.2
90.04703	2.9
91.05488	32.0
93.07053	32.5
95.04990	14.0
95.08055	2.2
95.08617	25.0
97.06551	10.7
97.10165	3.2
100.55280	1.2
100.68378	1.1
102.04687	2.0
102.58392	1.2
103.05479	58.9
105.03395	4.2
105.07044	55.1
105.07560	1.2
105.07762	1.4
107.04967	11.9
107.08607	51.4
108.90434	1.4
109.02897	4.1
109.06530	25.7
109.10169	40.3
109.28085	1.1
111.08074	3.5
115.05465	8.2
116.06262	2.5
117.03455	1.3
117.07030	20.8
118.04176	13.9
119.04939	4.7
119.08604	21.2
120.05717	2.3
120.57290	1.1
121.06533	17.8
121.10161	46.1
123.08076	19.6
123.11678	2.9
126.06032	1.2
129.07008	5.1
130.04167	5.0
130.07802	5.2
131.04942	47.7
131.07597	2.9
131.08580	57.5
132.05728	3.4
133.02861	9.1
133.06503	6.6
133.10147	66.0
135.04395	1.2
135.08069	41.3
135.11691	17.8
143.08548	7.1
144.09421	1.4
145.06516	8.3
145.10135	45.2
146.03648	4.8
146.06082	2.8
147.04445	1.7
147.08055	2.6
147.11703	19.7
148.04045	1.7
148.05215	30.6
148.08878	2.1
149.05998	9.4
149.09651	11.2
149.13277	15.7
155.08549	4.4
158.07292	3.9
158.10957	9.1
159.08078	3.2
161.05936	1.3
161.09598	3.2
161.13280	1.3
162.05493	4.0
162.06783	1.5
163.03970	2.2
163.07567	50.1
163.09930	1.8
163.11163	11.2
163.14853	4.5
173.06004	5.3
173.09657	14.8
173.13286	49.6
176.04723	8.2
176.11960	1.9
191.03442	11.1
191.07025	53.5
191.10689	33.0
191.14337	100.0
191.16183	7.7
191.17737	9.8
192.10185	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1433
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03936	4.4
55.01870	4.0
55.05516	9.1
56.54701	1.9
57.03431	2.7
57.07077	2.9
59.04998	2.2
65.03929	4.2
67.05519	17.3
69.03432	5.4
69.07080	10.2
69.30518	14.0
71.04608	3.0
71.05001	41.9
74.98988	1.7
79.05499	23.8
81.07063	17.9
83.04967	3.5
83.08633	5.6
85.06549	19.7
91.05492	28.1
93.07057	31.0
94.50383	1.8
95.04974	14.7
95.08618	35.3
97.06549	26.9
97.10106	2.2
98.21613	3.4
103.05492	15.8
105.07041	54.8
107.04993	10.5
107.08606	81.1
109.06541	22.0
109.10166	22.2
111.08088	7.7
115.05465	3.3
117.07021	16.3
118.04184	5.6
119.06085	1.8
119.08591	20.0
119.66204	1.9
120.08107	2.4
120.74233	1.8
121.06541	10.4
121.10159	77.1
123.08081	49.9
129.06999	6.2
130.04128	2.2
130.07788	3.5
131.04942	13.7
131.08592	57.7
133.06499	2.9
133.10152	54.4
134.05989	3.2
135.08073	60.9
135.11720	11.4
143.08580	5.9
145.06519	4.1
145.10149	46.5
146.06067	2.6
147.11703	32.8
148.05191	6.8
149.05978	5.3
149.09666	11.7
149.13261	22.3
158.10933	11.3
162.05478	10.0
163.07582	13.3
163.11246	9.5
163.14862	3.6
173.09604	6.3
173.13287	72.6
176.04680	5.1
176.07301	2.5
191.03433	14.8
191.05312	2.6
191.06984	20.7
191.08432	3.5
191.10793	19.9
191.14323	100.0
191.17958	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03930	1.1
55.01859	1.4
55.05505	4.8
57.03434	0.9
57.07069	1.9
58.71255	0.9
65.03957	1.0
67.05181	1.6
67.05511	22.2
69.03426	3.0
69.07083	6.5
70.37928	1.9
71.04999	32.7
78.36052	0.9
79.05135	1.0
79.05497	11.4
81.07064	10.1
83.04984	1.3
83.08632	2.8
85.06546	10.2
91.05487	18.6
93.07056	12.7
95.04977	11.8
95.08611	12.8
97.06536	9.2
103.05471	3.4
105.07039	32.3
107.04958	1.4
107.08603	46.1
109.06525	63.1
109.10164	86.6
111.08063	1.6
115.05441	2.2
116.06229	1.0
117.07024	6.0
119.06120	1.4
119.08595	10.3
121.06531	4.6
121.10152	41.5
123.08073	28.7
129.06966	3.1
130.07774	1.6
131.04939	2.7
131.08582	43.2
133.06519	1.8
133.07565	1.1
133.10143	28.9
135.08064	74.1
135.11697	3.1
143.08572	4.6
144.09352	1.7
145.10126	12.1
147.11702	15.6
148.05145	1.5
148.08829	2.3
149.09625	10.1
149.13278	9.1
150.10410	1.9
158.10921	7.2
161.09651	2.5
163.07530	2.5
163.11171	1.6
163.14835	2.7
165.55133	0.9
171.11667	1.1
173.13275	52.8
176.11957	1.6
191.03432	3.1
191.07054	4.4
191.10680	3.0
191.14320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1433
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03935	0.9
54.87691	0.7
55.05525	2.9
57.03440	0.9
59.05036	0.8
67.05516	2.0
69.03445	1.4
69.07079	2.9
69.17976	6.7
69.18371	1.7
71.04996	2.4
72.08167	0.8
79.05494	3.8
80.19936	0.6
81.03403	1.1
81.07069	6.8
81.47221	0.6
83.04996	1.5
83.08638	0.6
85.06539	5.5
91.05487	10.9
93.07061	8.4
95.04987	1.2
95.08602	5.2
97.06532	6.0
103.05502	1.7
105.06322	1.4
105.07037	26.7
107.04973	1.0
107.08611	15.9
109.06526	2.2
109.10175	2.4
111.08118	1.5
115.05482	1.5
116.06210	0.9
117.07011	3.7
118.07872	0.9
119.08575	7.4
121.06501	1.6
121.10140	6.5
123.08079	3.4
129.06999	1.3
131.04935	0.8
131.08583	25.1
131.09543	1.6
133.10144	100.0
135.08058	4.8
135.11755	1.0
143.08588	2.3
145.10133	10.5
147.11691	3.7
149.09583	2.2
149.13246	7.8
158.10930	7.0
162.05502	0.8
163.07556	1.5
163.11269	1.0
163.14833	1.6
171.11684	0.8
173.13283	33.2
191.06960	1.5
191.10719	1.7
191.14316	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.05522	9.3
56.96585	1.5
57.03423	3.9
57.07072	3.5
57.55793	1.6
58.06598	2.0
58.50109	1.7
59.04999	1.8
66.69951	1.6
67.05508	14.3
67.75540	1.5
69.03424	5.3
69.07079	15.7
70.76629	3.4
71.05002	12.5
72.08162	21.7
79.05498	18.3
81.03417	1.9
81.07066	42.2
83.04983	4.0
83.08620	6.9
84.76614	1.5
85.06549	10.3
91.05488	45.1
93.07050	42.0
95.04968	4.6
95.08614	28.7
97.06549	10.8
103.05466	5.4
105.07041	60.1
106.06532	4.5
106.55940	1.6
107.04930	2.3
107.08602	49.6
109.06528	12.7
109.10159	19.7
111.08104	5.4
115.05454	4.0
116.99219	1.6
117.07027	23.4
118.04240	2.1
119.07808	2.8
119.08595	36.1
120.08080	1.6
121.06502	8.0
121.10153	33.4
123.08088	10.5
129.06998	6.1
130.07771	3.6
131.05008	1.5
131.07108	2.4
131.08583	91.7
133.10143	100.0
135.08067	27.7
135.11710	5.9
143.08582	11.8
144.09348	5.1
145.06508	2.8
145.10141	41.4
146.06012	7.5
147.11697	22.3
148.05139	2.8
149.09645	9.6
149.13268	16.2
157.10199	1.8
158.10938	17.3
161.13318	4.0
162.05507	3.9
163.05861	1.8
163.11232	4.0
163.14847	18.2
171.11617	2.9
173.07240	2.2
173.09746	3.5
173.13275	89.1
176.04633	1.8
177.07893	3.9
181.22801	1.6
191.06999	11.0
191.08614	3.5
191.10652	7.6
191.14325	89.2
192.10225	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03942	2.3
55.05516	8.8
57.03416	2.2
57.07084	1.5
62.20645	1.1
62.95271	1.4
67.05510	14.3
69.03419	1.5
69.07072	18.8
69.16595	1.1
70.96245	3.1
71.04976	2.6
79.05499	19.8
81.06601	2.2
81.07063	40.5
83.04977	3.8
83.08632	7.1
85.06541	2.5
91.05486	43.0
92.42378	1.3
93.07048	40.8
94.67149	1.4
95.04952	3.2
95.08615	37.4
96.44077	1.3
97.06543	6.8
103.05457	3.0
105.07039	42.0
106.80419	1.3
107.04954	2.6
107.08603	44.5
109.06543	3.7
109.10121	4.7
111.08087	7.2
115.05453	4.3
116.06244	3.0
117.07026	29.9
119.08589	25.1
121.06491	7.6
121.10147	23.3
122.61773	1.3
123.08073	3.5
129.07007	8.7
130.07780	3.0
131.08577	100.0
133.10149	27.5
135.08086	9.4
135.11732	7.2
143.08549	9.2
144.09331	5.9
145.06459	1.7
145.10132	42.7
145.11301	2.2
147.11711	13.7
149.09645	5.8
149.13261	5.3
155.08571	3.5
158.10927	17.0
159.08131	1.3
160.12427	1.5
161.13333	3.0
163.11183	2.3
163.13432	1.8
163.14825	33.7
171.11639	2.6
173.09630	3.5
173.13269	90.0
173.46759	1.2
191.06978	3.3
191.08563	1.4
191.10661	5.1
191.14313	62.9
191.86446	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.05510	3.7
57.07058	1.1
67.05507	5.6
69.03439	2.9
69.07078	5.9
71.05000	4.4
71.43633	1.1
79.05495	7.7
81.07061	10.8
83.04992	1.3
83.08624	2.7
85.06541	4.7
91.05481	16.6
93.07051	13.4
95.04970	3.5
95.08625	10.0
96.02257	0.8
97.06530	7.6
99.08096	1.0
99.27629	0.8
103.05495	4.7
105.07041	39.7
107.04945	2.3
107.08604	20.0
109.06528	8.0
109.10168	9.0
111.08086	3.1
111.88060	0.8
115.05424	2.6
117.07030	9.1
118.04176	1.4
119.04944	0.9
119.08592	11.4
121.06510	5.8
121.10154	12.3
123.04414	1.2
123.08075	7.0
123.11678	0.9
127.11902	0.8
129.07004	2.8
130.07791	1.7
131.04970	4.3
131.08582	36.9
133.10141	100.0
135.08061	14.3
135.11699	5.2
143.08575	5.7
144.09331	2.4
145.06528	1.0
145.10136	19.1
146.06053	1.8
147.08061	1.2
147.11681	13.6
148.05205	2.7
149.09641	6.4
149.13275	9.9
150.10480	1.2
155.08574	9.9
158.07265	4.1
158.10922	8.6
159.08069	1.7
161.05968	1.2
161.09630	1.1
161.13072	0.9
162.05513	5.1
163.07541	3.3
163.11168	2.7
163.14851	5.1
171.11644	1.1
173.09683	7.2
173.13278	46.1
176.04579	0.9
176.11980	1.1
191.03427	3.8
191.06987	5.6
191.09027	1.3
191.10701	10.6
191.14328	52.7
191.17979	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.118
Annotation	N-Methylserotonin
Peak:m/z	Relative Intensity
53.97740	0.2
67.04248	0.4
69.38183	0.9
69.38618	1.0
91.05481	0.9
98.20743	0.3
98.97587	0.5
103.05466	0.4
103.63554	0.2
105.07051	1.0
106.06539	1.3
110.97566	0.4
115.05460	4.1
117.05750	2.2
118.06550	2.1
120.08094	0.5
129.73438	0.3
130.06508	0.4
131.04922	0.5
131.07352	0.3
132.04367	0.3
132.08101	5.4
133.05251	0.5
133.06493	1.3
134.06017	7.6
142.06473	1.5
143.07301	0.5
144.04399	0.4
146.04842	0.3
146.06023	9.4
148.07576	17.8
155.06039	1.1
155.09035	0.3
156.06682	0.3
159.06766	0.6
160.07585	100.0
161.07942	1.1
162.05508	51.6
162.09142	1.2
163.05847	0.9
172.05002	0.3
172.06340	0.5
173.07111	7.2
174.05516	12.2
191.08173	6.8
191.11794	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01866	1.4
55.05512	6.1
57.03426	3.8
57.07061	1.6
59.05005	1.8
60.87659	1.2
67.05513	8.9
69.03434	7.8
69.07071	10.8
71.04977	5.7
71.52304	1.3
72.08144	2.7
77.03923	1.4
77.62772	1.3
79.05503	14.0
81.03430	2.7
81.07064	20.7
83.04972	5.8
83.08613	4.7
85.06528	4.4
91.04980	2.0
91.05491	27.0
93.07054	25.4
94.11753	1.4
95.04962	5.4
95.08616	18.7
96.07390	1.4
97.06533	9.5
103.05462	12.9
103.73574	1.1
105.07037	45.8
107.04951	5.7
107.08604	43.2
109.06516	11.5
109.10164	10.7
111.08086	3.6
111.65754	1.4
115.05471	3.3
116.06242	2.3
117.07024	13.7
117.86256	1.2
118.04145	3.4
119.08593	37.6
121.02869	1.2
121.06516	11.2
121.10163	27.0
123.08108	7.7
123.11757	1.5
128.06311	1.6
129.07022	8.5
130.04190	2.1
130.07787	3.9
131.04956	13.7
131.08582	65.5
132.05801	1.5
133.06471	2.5
133.10144	100.0
135.08066	19.4
135.11679	8.4
137.09639	6.0
141.07018	1.5
143.08582	8.7
144.09366	3.3
145.06509	2.6
145.10143	29.5
147.08043	3.3
147.11703	19.2
148.05182	5.8
149.06039	1.7
149.09630	11.7
149.13260	15.4
154.42906	1.2
155.08536	1.4
158.10942	12.6
159.08041	8.5
159.42973	1.4
160.05161	1.8
161.09622	3.1
161.13202	2.4
162.05527	4.3
163.07523	10.6
163.11168	6.1
163.14850	10.7
173.05957	2.4
173.09686	2.0
173.13286	57.5
176.04820	3.0
177.07854	1.3
191.03360	4.0
191.05350	2.5
191.06940	15.4
191.08484	4.6
191.10745	21.1
191.14326	85.1
191.17978	4.0
192.10265	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.107
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
52.97105	0.6
53.03937	1.1
55.01864	1.0
55.05500	1.7
56.96553	0.6
57.03444	0.6
58.06596	0.6
65.03925	1.2
67.05516	2.8
69.03416	1.9
69.07044	1.4
70.06608	0.8
71.04989	0.9
71.52791	0.6
75.33229	0.4
77.03923	0.7
79.05502	5.1
80.53004	0.5
81.03403	0.7
81.07085	2.8
81.07455	0.4
81.91604	0.4
82.63304	0.5
83.04985	1.2
84.08116	0.5
85.02935	0.7
91.04904	1.0
91.05485	17.5
93.07053	6.2
95.04958	2.4
95.08612	1.5
97.02893	0.7
98.97597	3.9
103.05454	3.1
105.07037	12.2
106.06579	2.7
106.07243	0.5
107.04961	2.7
107.08608	5.3
109.06512	1.2
109.10152	0.7
110.07128	0.6
115.05466	2.0
116.06237	2.9
116.98609	1.3
117.05711	0.7
117.07022	11.5
118.06554	4.3
119.04918	0.5
119.08588	3.6
121.06515	12.5
121.10157	3.5
123.04427	0.5
123.08048	0.8
128.06252	1.2
129.07019	5.5
130.07790	4.0
131.04945	2.1
131.08575	58.3
132.04521	0.8
132.05688	0.6
133.06529	3.2
133.10141	2.8
134.06026	13.2
135.04445	1.1
135.06465	0.5
135.08076	2.9
135.11674	2.1
136.06233	0.6
137.05965	2.2
143.08551	1.7
144.05710	1.6
145.06512	9.2
145.07652	1.5
145.10126	34.8
146.06021	23.2
146.07088	1.0
147.04402	1.0
147.08047	4.3
147.11685	2.0
148.05103	0.6
148.07593	0.6
149.05969	4.0
149.09633	5.3
151.07489	0.5
155.06030	2.0
155.08582	0.7
156.06747	0.7
158.07292	1.0
158.10866	0.6
158.99678	2.2
159.08086	3.8
160.07628	2.2
160.08839	27.5
161.05977	3.5
161.09628	1.9
162.05511	100.0
163.03882	1.3
163.06021	1.0
163.07538	5.0
163.11185	5.0
164.11479	0.5
170.04117	0.9
172.06367	1.0
173.05943	1.0
173.07137	16.8
173.09500	5.2
173.13225	2.4
174.05516	23.6
175.07506	0.8
176.04752	0.7
176.08328	12.6
176.97289	0.5
177.00778	1.6
179.04718	1.4
191.03430	4.6
191.06950	4.1
191.08188	13.1
191.10686	68.4
191.14249	6.0
192.06404	0.6
192.10202	1.4
206.41371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Precocene I
Peak:m/z	Relative Intensity
53.03944	0.6
56.49335	0.6
59.59409	0.6
65.03941	0.6
67.05489	0.7
68.56601	0.6
71.52672	0.8
73.26000	0.6
79.05472	0.8
80.39831	0.6
81.73345	0.7
91.05491	24.0
93.07044	0.6
103.05466	2.6
105.07030	2.1
107.08612	1.5
109.10184	1.6
115.05489	3.0
116.06261	7.4
117.07030	2.0
119.04989	0.7
119.08631	1.0
121.06489	1.6
121.10139	1.0
123.08080	0.9
124.73940	0.6
129.07010	5.3
130.04120	0.7
130.07593	0.7
131.04965	4.7
131.08586	75.0
133.06516	0.9
133.10159	0.9
135.08058	1.6
135.11693	0.8
136.69034	0.7
137.05977	5.5
138.44209	0.5
141.07014	4.9
144.05730	7.9
145.06499	1.2
145.10132	0.9
147.04425	0.7
147.08109	1.0
147.11652	0.8
149.05992	0.9
149.09547	0.6
156.74289	0.6
159.08073	100.0
160.08595	0.7
161.06009	1.9
162.05525	0.8
163.07625	0.7
163.11189	2.5
169.07637	2.8
173.13300	1.1
175.07565	2.4
176.04684	1.1
176.08347	1.4
191.07117	3.7
191.10695	51.3
191.14230	3.4
192.11110	0.9
202.97346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1069
Annotation	Precocene I
Peak:m/z	Relative Intensity
52.36039	0.6
55.05502	0.9
55.63181	0.6
67.05494	1.6
69.07071	0.9
71.04974	1.4
71.52104	1.0
78.02163	0.6
79.05514	1.4
81.07029	1.1
91.05492	24.8
93.07060	1.2
95.04961	0.8
103.05481	3.0
105.07049	4.2
107.04974	0.8
107.08598	2.8
108.90481	1.8
109.06523	2.0
109.10146	2.8
115.05455	3.7
116.06267	8.2
117.07022	2.7
119.08576	2.2
121.06513	3.7
121.10142	1.6
123.08073	1.3
127.53036	0.5
128.06232	1.1
129.07027	6.6
131.04961	5.6
131.08585	76.2
133.06464	1.4
133.10138	2.3
135.08031	3.7
135.11691	0.6
137.05989	5.6
141.07043	5.0
143.08601	0.7
144.05719	9.0
145.06505	2.1
145.10124	2.1
146.06018	0.7
147.08095	0.8
147.11755	1.2
148.08858	0.9
149.06038	1.4
158.07283	0.8
158.10919	0.7
159.04520	1.5
159.08073	100.0
160.08885	5.4
161.06012	2.3
162.05524	4.9
163.03903	0.6
163.07515	1.4
163.11205	4.2
169.07588	3.1
173.07162	0.9
173.09558	0.7
173.13272	4.2
176.04738	1.5
176.08461	3.4
184.31596	0.6
191.03427	2.0
191.07062	7.0
191.10706	58.6
191.14316	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	191.0817
Annotation	(-)-Chrysogine
Peak:m/z	Relative Intensity
65.51308	0.3
70.28870	1.2
77.57401	0.4
91.05478	1.5
95.46259	0.4
106.06579	2.1
115.05429	0.4
117.05747	0.7
118.06567	3.5
132.08076	0.5
134.06032	12.2
144.04437	0.4
145.07587	0.5
146.06029	18.1
148.07608	1.9
149.43158	0.4
155.06068	1.7
156.04390	0.6
156.06889	0.4
160.07619	8.9
162.05525	100.0
163.05867	0.8
172.06360	1.2
173.07133	17.3
174.05534	22.6
191.06433	0.7
191.08192	15.4
192.08441	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	1.3
59.05000	0.7
60.08212	0.3
65.03947	0.3
68.05020	0.7
70.06606	1.3
70.94184	0.6
74.06077	0.4
79.05498	0.8
79.84789	0.3
84.08154	0.7
85.02926	0.5
86.06077	1.2
91.05480	1.8
93.89852	0.3
97.02950	0.4
98.97581	2.1
100.02464	0.3
105.07025	0.4
106.06556	2.6
110.97529	0.4
114.05523	1.2
115.05447	0.8
116.98631	0.6
117.05762	0.9
118.06545	4.1
131.00168	1.0
131.08574	0.7
132.04425	0.3
132.06563	2.1
132.08092	1.2
133.05315	0.4
133.06427	0.5
134.06020	14.7
137.05911	0.3
145.07614	0.6
146.06009	18.6
148.03860	0.4
148.07550	3.5
149.01245	0.8
155.06061	2.4
156.04391	0.5
156.06812	1.4
160.07587	20.2
162.05508	100.0
163.05859	0.6
163.08667	0.4
172.06270	1.4
173.07112	17.7
174.05519	22.8
191.08160	15.3
191.14044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0704
Annotation	Oospolactone
Peak:m/z	Relative Intensity
53.03940	1.7
56.96563	1.6
57.03441	1.0
62.23199	0.9
65.72311	1.0
66.04711	4.5
67.05505	2.2
68.99777	1.0
69.03424	1.5
69.07072	2.0
70.67662	1.4
70.68004	2.0
77.03926	1.1
78.04704	1.3
79.05489	3.0
81.07045	3.6
88.18529	1.1
89.03889	1.8
90.04722	5.7
91.05484	7.6
92.06207	0.9
93.07030	3.6
95.04957	2.5
95.08607	2.7
95.33414	1.0
102.04690	21.5
103.05471	60.4
105.03394	2.5
105.07025	9.0
106.04166	1.0
106.06550	1.2
107.04932	1.8
107.08604	4.9
109.10148	1.7
115.05440	6.8
117.03384	1.7
117.06995	6.7
118.04169	61.9
119.04960	4.9
119.08570	3.4
120.05724	2.3
121.06498	1.9
121.10149	2.3
123.08100	1.2
129.06960	1.1
130.04156	49.8
130.07671	1.1
130.57890	1.0
131.04939	59.9
131.08566	10.7
133.02863	9.1
133.06462	3.2
133.10092	2.6
134.06027	4.8
135.08038	3.6
135.11714	2.0
143.08533	1.4
145.06477	4.9
145.10133	6.4
146.03630	10.9
146.05997	4.4
147.04417	12.7
147.11649	2.2
148.05196	21.7
149.09671	1.5
149.13257	1.1
155.08578	1.4
158.03633	4.8
159.04370	1.4
161.02368	1.5
161.05962	1.6
162.05519	21.7
162.06764	1.3
163.07562	12.6
172.09113	1.0
173.05936	12.9
173.07162	1.6
173.09589	0.9
173.13281	5.0
174.05486	3.8
176.04697	69.9
191.07019	100.0
191.10561	4.9
191.14330	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	191.0705
Annotation	Oospolactone
Peak:m/z	Relative Intensity
51.02388	0.4
52.96493	0.4
53.03948	1.0
58.30534	0.5
62.12928	0.4
65.03941	0.6
65.19199	0.4
66.04725	2.8
68.86131	0.5
71.29600	1.0
79.05505	3.7
85.02911	1.0
89.03956	0.6
90.04700	3.6
91.05485	4.4
92.06264	0.6
95.05014	0.6
95.08627	0.6
102.04699	10.0
103.05475	31.8
105.03387	1.4
105.07057	4.3
107.04980	0.6
108.90422	0.6
115.05453	3.1
115.15318	0.5
117.03403	1.1
117.07022	2.4
118.04170	31.3
119.04965	3.4
120.05735	3.6
121.06602	0.6
121.10155	0.8
127.02300	1.8
128.51637	0.7
130.04158	25.5
131.04941	25.7
132.05701	0.8
133.02869	6.9
133.06494	7.1
134.05998	1.2
135.08121	1.2
135.29764	0.5
136.02834	2.9
138.53145	1.3
145.03407	1.1
145.06496	2.1
146.03641	6.6
146.06021	1.7
147.04436	5.7
147.53561	2.2
148.05206	23.2
149.13211	0.5
151.07542	0.6
156.54079	0.6
158.03682	2.3
158.04861	0.5
159.04416	1.1
161.02348	1.0
161.05995	1.6
162.05515	8.5
162.06778	0.8
163.07553	70.4
164.08032	0.5
173.05959	6.1
173.07152	1.0
174.05452	2.5
175.03899	0.6
176.04695	34.5
191.07037	100.0
191.14293	1.5
191.17961	0.9
192.07375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1262
Annotation	EPTC
Peak:m/z	Relative Intensity
57.07076	16.3
58.06578	1.1
59.99110	1.4
67.05471	0.7
70.06573	0.9
70.64626	0.7
72.08150	1.8
78.00159	25.3
86.09717	7.1
87.37445	0.8
91.05456	1.1
103.05423	1.0
105.03399	1.1
105.07038	0.8
106.06554	0.8
117.07019	1.1
120.04449	1.7
128.07092	0.8
131.04910	1.8
133.10258	1.0
134.06360	32.9
146.04172	1.4
146.05998	1.9
147.04422	2.0
148.07875	2.9
149.02385	3.8
157.87424	0.8
159.07689	1.0
162.05513	4.2
172.03935	0.9
172.07584	0.8
173.41499	0.8
175.07118	2.1
190.04843	1.9
190.06227	3.1
190.09535	3.3
190.12605	100.0
191.06924	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0501
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
51.51749	0.2
52.15370	0.2
64.30270	0.2
70.55990	0.6
70.56328	0.3
82.47331	0.3
89.03928	0.7
100.20184	0.2
116.04984	2.6
116.05711	0.3
120.04491	0.3
144.04468	3.7
156.61565	0.3
162.05521	100.0
163.05853	0.9
190.05013	46.1
191.05418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.16
Annotation	N6,N6,N6-Trimethyl-L-lysine
Peak:m/z	Relative Intensity
52.52781	0.4
56.05043	1.6
56.72723	0.4
60.08170	27.3
67.05508	2.3
69.63169	1.6
69.63580	0.8
70.06596	0.8
74.02458	0.7
74.07213	0.4
84.08150	100.0
85.06550	1.2
86.09710	0.9
91.13957	0.4
98.20850	0.8
112.89635	0.4
114.89388	0.5
130.08653	46.6
144.13867	3.1
166.98749	0.5
187.22813	0.4
189.15999	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	189.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.6
56.05043	1.3
56.96570	8.9
57.03447	0.5
57.04556	0.7
58.06607	0.3
60.05658	0.5
60.08171	26.4
61.02925	0.5
67.05507	2.5
67.59369	0.4
69.03460	0.6
69.07067	0.4
69.24718	1.2
69.25158	1.4
70.06601	10.5
70.98132	0.6
71.05010	0.4
71.06940	0.6
71.95272	0.7
72.08168	8.5
73.02916	1.2
74.02457	0.3
74.03293	0.3
74.07205	2.4
84.08153	100.0
84.96061	0.4
85.02914	0.9
85.06541	0.9
85.08485	0.6
86.00678	0.6
86.09716	3.6
88.99166	0.3
95.52362	0.7
97.02902	1.0
98.97594	29.9
99.97922	0.5
100.07733	0.3
100.99177	3.3
101.00881	0.9
102.09203	0.4
104.52958	0.4
106.96581	1.0
110.01252	0.5
110.97588	1.3
112.99175	0.4
115.08716	0.4
116.07101	4.9
116.98630	10.7
117.07464	0.6
118.08662	0.8
119.00197	0.9
119.01928	1.5
122.02367	0.3
124.97617	0.6
127.03868	0.4
128.98630	1.5
129.10300	0.4
130.08655	44.9
131.00166	0.3
131.01868	0.5
131.03625	0.4
132.03497	0.4
132.15854	0.3
134.99657	3.3
140.00200	0.4
143.00169	0.8
144.11336	1.9
144.13849	2.8
145.03470	0.5
146.99661	1.3
157.01366	0.4
158.09213	0.4
158.99689	1.1
159.03101	0.8
161.01292	0.8
161.02936	0.5
165.00725	1.5
172.10880	0.3
172.15279	0.3
177.00716	1.0
177.04271	1.2
183.01801	0.8
189.00755	0.4
189.06140	0.4
189.13603	3.6
189.16000	25.8
190.03889	0.3
191.04163	0.4
199.27631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1348
Annotation	N(omega)-Methyl-L-arginine
Peak:m/z	Relative Intensity
53.22357	0.4
55.01877	0.7
56.05056	1.0
56.96573	2.7
57.03439	1.8
57.04293	0.9
57.04562	9.3
58.06625	0.7
58.72692	0.5
60.05655	2.9
60.08165	16.6
67.05513	2.0
69.03436	2.6
69.78793	2.5
70.06596	100.0
71.04996	2.9
72.08158	8.1
73.02916	3.1
74.07207	35.9
78.52979	0.6
81.03421	3.4
82.01463	0.9
84.08147	60.9
84.52962	2.4
85.02937	1.6
86.09711	1.3
88.02715	0.7
88.07626	1.9
93.53486	1.8
94.04214	1.2
95.04961	1.2
97.01419	0.7
97.02914	1.6
97.91962	0.5
98.06081	0.9
98.97595	6.3
100.00108	1.4
100.02478	1.0
101.00906	2.9
106.96568	1.0
107.04984	1.8
109.02880	10.1
109.99182	0.8
110.03693	6.5
111.04484	1.7
112.08035	0.5
112.08719	3.4
112.99173	0.5
113.00875	4.0
113.07150	0.7
115.02447	0.9
115.03187	0.7
115.05812	0.8
115.08694	7.6
116.07098	41.3
116.98663	2.0
118.01176	1.3
119.01962	2.6
119.04930	0.8
123.04458	1.0
124.02480	0.7
125.03516	0.8
126.10295	0.9
128.00211	0.6
129.07416	0.8
130.08643	30.5
131.01933	4.5
132.52800	1.0
133.03311	1.0
133.09731	3.9
134.04045	0.6
135.04482	2.0
139.03249	0.7
140.02290	0.7
143.00212	0.7
143.01965	1.0
144.11325	18.2
144.13843	2.1
146.06024	0.7
147.04422	1.2
148.03766	2.1
151.02376	0.6
154.03659	0.8
155.01932	0.8
157.04300	19.3
157.54384	2.6
158.09262	7.1
159.06836	1.0
160.07642	2.4
161.03008	1.2
166.04802	5.4
168.02675	1.6
168.05327	0.9
168.54999	1.5
169.03461	1.3
171.12433	1.5
172.10826	8.1
175.04607	1.3
175.96815	0.6
177.04158	0.8
178.05013	0.6
185.03061	0.6
187.04663	0.6
189.13533	53.1
189.16060	15.9
189.70847	0.5
190.13873	1.0
197.02946	0.8
209.02934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1346
Annotation	N(omega)-Methyl-L-arginine
Peak:m/z	Relative Intensity
57.04562	9.0
60.05626	0.6
60.08164	8.7
60.28759	0.5
70.06594	100.0
71.04992	1.2
71.38331	0.7
72.08163	7.3
74.07205	35.4
84.08145	35.3
85.06532	0.7
88.07645	1.4
94.62567	0.5
97.07645	0.6
112.08732	2.4
113.07041	0.6
115.08701	7.8
116.07095	40.1
126.10259	1.7
130.08646	16.0
133.09717	3.4
141.06566	0.5
144.11320	20.1
144.13809	1.3
146.66728	0.6
150.92569	0.5
154.66669	0.5
155.53000	0.6
158.09251	7.7
167.12852	0.5
171.12456	1.8
172.10820	8.7
189.13466	50.1
189.15941	8.1
190.13820	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43316	1.1
56.54648	1.2
58.06591	4.4
65.80879	1.5
66.04285	1.2
67.05488	1.7
68.99806	1.8
69.03422	5.1
70.06575	3.8
71.05003	1.2
71.51833	1.2
79.05515	2.9
80.93681	1.4
81.07080	1.8
81.09698	1.2
84.08140	1.5
85.02917	8.7
85.06554	1.5
91.05500	7.3
93.07058	2.4
103.05460	1.7
105.07037	13.9
107.08583	2.6
109.10212	1.2
115.05461	4.3
117.07015	3.8
119.08595	15.8
123.45053	1.3
128.06219	5.1
129.07025	7.1
130.07771	3.4
130.08647	2.1
131.08551	6.5
133.06491	3.5
133.10110	4.0
141.07005	5.0
141.12782	1.7
143.07564	1.6
143.08553	9.1
144.09309	1.2
145.06474	1.7
145.10129	20.4
147.08052	4.9
147.11702	13.4
153.12636	1.7
155.08548	2.6
156.09360	47.6
157.06493	2.2
159.06792	1.2
159.08037	2.8
159.11678	13.2
159.57043	1.7
161.06001	2.5
161.09634	3.5
161.13280	2.5
171.11711	61.4
174.06812	6.3
174.10406	7.8
189.05450	5.3
189.07047	3.9
189.09155	13.0
189.12750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52201	1.3
61.68403	1.3
63.29495	1.5
69.03420	3.3
70.66666	4.6
82.68717	1.5
84.18364	1.4
91.05487	3.5
105.07030	9.0
119.08583	12.4
129.06953	2.3
130.07796	3.9
131.08540	4.9
133.06496	2.1
133.10132	2.9
141.06989	7.9
143.08554	5.6
145.10150	20.2
147.08052	2.7
147.11673	10.4
155.08537	1.7
156.09352	50.4
158.07283	2.6
159.08110	3.2
159.11697	16.5
161.13220	2.9
171.11699	60.8
174.06779	6.7
174.10405	5.5
189.09128	6.4
189.12752	100.0
190.13089	2.0
205.72711	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.6
59.47077	0.7
67.05498	1.9
68.99796	0.7
69.03438	3.3
69.07072	3.3
70.06596	0.7
71.51985	1.1
72.08146	1.7
77.03918	0.7
79.05494	2.4
81.07071	4.1
83.04951	1.3
84.08154	0.7
85.02914	2.6
86.09703	1.3
91.05482	8.1
93.07030	2.9
95.04987	1.3
95.08617	1.9
103.05456	1.2
105.03384	1.0
105.07038	17.0
107.08591	3.5
109.06515	1.2
109.10135	0.9
115.05445	2.1
117.07047	4.0
119.04962	3.4
119.08591	23.2
121.06541	0.8
121.10159	1.5
128.06229	5.3
129.07005	8.1
130.06570	0.7
130.07761	2.8
131.04921	1.9
131.08583	8.4
133.06496	4.1
133.09241	1.2
133.10143	10.8
135.08029	1.1
141.07011	5.3
143.06836	0.7
143.08571	7.7
144.09322	1.5
145.06459	2.1
145.09073	1.1
145.10136	16.4
146.07231	0.8
146.10841	1.3
147.08054	7.8
147.11702	16.6
155.08488	1.0
156.09358	34.4
157.06522	3.9
158.07285	1.9
159.04398	1.5
159.08078	5.7
159.11707	10.8
160.05229	1.9
160.08852	1.9
161.05972	3.8
161.09671	4.1
161.13274	9.6
171.04356	0.9
171.11702	47.6
174.06796	8.0
174.10416	12.6
189.04002	1.0
189.05484	2.5
189.09155	20.6
189.12756	100.0
189.16316	6.3
190.13123	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.1
55.01850	0.9
55.05495	1.2
57.03444	0.9
57.07057	0.7
58.06595	2.0
67.05498	0.9
69.03444	5.1
69.91072	2.1
69.91482	1.4
70.06586	1.1
72.08153	2.1
79.05509	1.8
81.07047	1.1
83.04973	0.6
84.08186	1.6
85.02904	1.8
85.06550	1.3
86.09692	1.1
91.05480	6.4
93.07035	1.7
93.11752	0.7
103.05460	1.3
105.07049	10.8
107.05043	0.8
107.08604	2.4
115.05461	2.4
116.06255	1.0
117.07028	3.3
119.04882	1.0
119.08595	17.0
121.10198	0.8
124.05607	0.8
128.06218	5.4
129.07007	7.4
130.07791	3.1
131.08575	14.2
133.06500	2.1
133.10146	5.3
141.06976	5.8
142.07755	1.0
143.08583	8.8
144.08084	1.8
144.09363	2.2
145.06483	1.3
145.10144	18.4
146.07249	1.7
146.10880	1.2
147.08061	8.9
147.11708	14.9
148.32321	0.9
155.08531	3.0
156.09370	50.9
157.06496	3.1
158.07266	1.4
159.08167	4.3
159.11707	12.8
160.08826	1.2
161.05980	1.1
161.09612	2.4
161.13243	3.9
171.11711	61.0
173.09596	0.8
174.06808	5.4
174.10410	6.8
189.09175	14.9
189.12759	100.0
190.13010	0.9
209.31776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1235
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
50.89764	0.3
56.05033	0.4
56.96566	1.4
57.03434	0.5
57.04559	1.8
58.06594	0.4
60.05656	0.7
60.08168	3.4
63.48520	0.2
69.03429	0.5
69.07067	2.6
70.06599	18.4
70.92735	0.7
71.04977	0.5
72.08159	3.7
73.02900	0.3
74.07203	6.5
84.04515	0.8
84.08150	11.2
85.02909	0.9
86.00723	0.2
86.09711	100.0
87.10033	0.5
88.07623	0.4
88.70507	0.3
95.04960	0.3
97.02896	0.5
98.97604	2.4
100.07689	0.3
106.96570	0.3
112.08781	0.3
115.08701	1.5
116.07099	7.1
116.98634	0.9
119.01860	0.3
126.10371	0.3
130.05057	0.6
130.08652	5.3
132.08096	0.7
133.09779	0.9
134.05972	0.3
143.08549	0.3
144.11339	2.8
144.13840	0.6
145.07707	0.3
148.07585	0.4
157.04333	0.3
158.09224	1.4
160.07590	35.6
168.05458	1.0
172.07608	0.3
172.10852	1.5
178.04977	0.5
182.89859	0.3
189.10257	2.3
189.13599	8.8
189.15921	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	189.0912
Annotation	Bullatenone
Peak:m/z	Relative Intensity
56.96591	0.5
59.16640	0.3
69.90716	2.0
79.05499	0.6
81.07056	0.6
91.05511	1.7
103.05503	1.7
105.03434	0.6
105.07033	2.6
106.90504	0.5
107.08568	0.5
115.05459	4.4
115.06042	0.4
116.06243	0.8
117.07046	1.0
119.08588	1.5
122.04862	0.4
128.06230	4.9
129.07016	6.1
130.07785	0.6
131.04939	5.4
131.08583	0.5
133.06493	2.0
133.10170	1.3
142.04152	1.1
143.04932	4.1
143.08597	1.7
144.05727	3.6
145.06505	8.2
145.10147	0.6
146.07259	2.1
147.08145	0.6
147.11726	0.6
155.06068	1.2
156.09395	0.6
157.06528	1.4
158.07294	21.9
159.04434	14.4
159.08047	1.3
160.05217	9.5
161.04640	0.7
161.06000	13.8
161.09630	1.2
171.08142	0.6
171.11710	1.1
172.64330	0.4
173.06024	0.8
174.06786	57.3
175.07484	0.7
189.09126	100.0
190.09451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	(E,E)-2,8-Decadiene-4,6-diyn-1-ol acetate
Peak:m/z	Relative Intensity
55.05510	1.4
57.03457	0.5
67.05525	0.8
68.99774	0.5
69.03436	2.1
69.07050	1.0
70.06604	0.9
71.04983	0.5
71.52188	0.8
72.08158	3.1
75.64194	0.5
79.05510	1.4
81.07068	1.6
82.20377	0.4
83.04974	0.8
84.08160	2.4
85.02923	2.3
85.06543	1.3
86.09705	0.6
87.00845	0.5
91.05495	5.5
93.07065	1.7
95.04999	0.7
95.08614	1.4
100.50771	0.5
103.05476	2.2
105.07037	6.9
107.04981	1.2
107.08607	1.0
109.06545	0.6
115.05466	2.6
115.91949	0.5
116.06257	0.6
117.07021	2.9
118.07846	0.8
119.04951	1.5
119.08590	8.5
124.05212	1.0
127.05281	0.5
128.06238	29.5
129.07018	92.6
130.07779	2.1
130.08655	0.6
131.04941	3.9
131.08588	10.3
133.06523	1.3
133.10132	3.5
135.11729	0.5
138.73293	0.4
141.07028	2.0
141.12819	0.6
143.04955	1.0
143.08562	4.7
145.06511	4.5
145.10144	6.6
146.03644	1.5
146.07295	5.3
147.04382	0.8
147.08070	3.4
147.11717	5.8
149.71367	0.4
153.12762	0.8
155.06053	4.7
156.09363	13.6
157.06506	69.3
158.07292	7.8
159.04390	3.3
159.08014	2.3
159.11697	3.4
160.08888	0.8
161.05991	4.1
161.07144	0.7
161.09644	4.2
161.13315	1.4
162.05539	1.2
166.06262	0.6
171.04352	0.7
171.08061	1.0
171.11711	18.4
173.05974	1.0
174.06786	47.6
174.10402	2.6
189.05486	2.2
189.09132	100.0
189.12721	31.7
190.05032	0.8
190.09412	0.9
207.03091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
57.90364	0.3
67.05505	0.4
69.03445	0.2
69.07070	0.3
71.52149	0.4
79.05504	0.6
81.07063	0.8
83.08646	0.3
85.02914	0.3
91.05487	1.0
93.07057	0.5
95.04901	0.3
95.08602	0.8
103.05460	2.1
105.03400	0.3
105.07052	2.6
107.08596	0.6
109.10180	0.3
115.05471	3.5
116.06245	0.7
117.07034	0.9
119.08589	2.2
127.05465	0.3
128.06238	4.6
129.07016	7.5
130.07796	0.5
130.08701	0.3
131.04947	7.3
131.08591	0.8
133.06480	0.5
133.10155	2.3
142.04155	1.1
143.04944	5.3
143.08574	0.9
144.05724	4.6
145.06502	5.5
145.10112	0.7
146.06332	0.3
146.07320	2.0
147.04442	0.3
147.08058	0.6
147.11705	1.6
155.04903	0.5
155.06076	1.7
156.05739	0.5
156.09395	0.8
157.06485	2.0
158.07294	25.7
159.04439	19.7
159.08040	1.4
159.11757	0.3
160.04980	0.3
161.06006	0.7
161.09680	1.2
161.13303	0.6
171.04453	0.5
171.11685	0.9
173.06026	1.0
174.06786	76.4
175.07443	1.2
189.05698	2.1
189.09132	100.0
189.16393	2.6
190.09482	0.9
192.61839	0.2
207.02873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01381	0.8
55.37777	0.8
56.29744	0.7
61.98820	0.9
70.57847	2.8
91.05493	2.1
98.21422	1.1
103.05489	4.9
104.75316	0.8
105.07024	2.7
106.90475	1.0
115.05453	4.2
119.08606	2.2
127.05102	0.9
128.06282	4.1
128.07045	0.8
129.07018	7.7
130.07784	1.4
131.04944	45.3
142.04128	1.9
143.04912	6.7
144.05702	5.0
145.06509	9.5
146.07269	2.6
155.06049	2.0
158.07294	28.1
159.04437	45.0
159.08020	1.6
174.06786	71.0
175.07600	0.9
189.05478	24.2
189.09123	100.0
189.13853	2.8
189.16446	2.5
190.09398	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	189.0911
Annotation	Bullatenone
Peak:m/z	Relative Intensity
54.03846	0.4
55.05516	3.5
57.03444	6.2
57.06826	0.7
57.07080	8.9
61.02922	1.9
62.01645	0.5
67.05492	1.5
69.03436	1.2
69.07082	3.3
69.29151	4.4
69.56631	0.5
71.01360	0.5
71.04978	0.5
73.02922	1.1
79.05504	2.6
80.43332	0.4
81.07064	3.7
82.62498	0.5
83.04983	1.9
83.08630	2.6
85.02920	2.3
85.06553	5.1
85.75368	0.4
91.05468	1.7
93.07044	1.8
95.04935	0.5
95.08603	1.4
97.02879	0.6
99.08098	0.7
103.05463	2.0
105.07030	1.5
107.08577	1.1
111.04397	0.7
111.08076	1.4
115.05451	2.8
115.89173	0.5
116.06250	0.6
117.07010	0.6
119.80403	0.5
125.09631	1.1
127.07558	12.6
128.06235	3.9
129.06999	6.6
129.09114	0.7
131.04941	5.6
131.08553	0.5
133.10201	0.6
141.09164	0.8
142.04141	0.9
143.04939	5.1
144.05717	3.9
145.06473	5.5
146.07257	2.1
153.09108	4.6
155.04887	0.6
155.06044	2.1
156.05743	0.7
157.06529	0.7
158.07285	26.6
159.04433	17.8
159.08075	1.1
171.10156	1.2
173.06000	0.8
174.06784	73.1
175.07303	1.4
189.09125	100.0
190.09364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79926	1.2
69.80350	1.8
70.97655	0.5
98.21458	0.6
103.05487	1.3
105.07038	0.9
106.29148	0.5
115.05461	2.2
116.06248	1.1
117.07005	0.7
125.36233	0.5
128.06236	4.0
129.07024	6.7
131.04933	5.2
142.04176	1.0
143.04930	4.0
144.05722	3.6
145.06494	8.9
146.07283	2.0
149.12886	0.4
155.04968	0.5
155.06076	2.0
157.06497	1.8
158.07292	22.4
159.04443	14.4
159.08002	0.8
173.06030	0.8
174.06789	64.5
175.07581	0.7
189.09131	100.0
190.09526	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0913
Annotation	Bullatenone
Peak:m/z	Relative Intensity
53.26555	0.2
54.38700	0.2
69.46582	1.4
77.03942	0.3
91.05485	0.3
98.20808	0.5
103.05466	1.4
105.07058	0.4
115.05465	3.2
116.06263	1.1
116.53097	0.2
117.07021	0.6
119.08577	0.3
120.44848	0.2
127.05459	0.5
128.06238	5.2
128.96252	0.2
129.07014	7.6
130.07794	0.4
131.04950	6.5
131.08589	0.3
133.10159	0.3
142.04155	1.6
143.04948	5.0
144.05719	5.0
145.06509	5.4
146.07271	2.0
155.04918	0.5
155.06078	2.1
156.05714	0.4
157.06540	1.5
158.07292	27.8
159.04433	18.3
159.08012	1.0
161.09695	0.4
173.06038	1.0
174.06784	76.3
175.07413	1.0
188.08421	0.4
189.09128	100.0
190.09425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29568	1.0
70.29964	0.8
84.82166	0.4
89.45226	0.4
103.05480	1.0
105.07077	0.6
115.05453	2.3
116.06230	0.7
117.07030	0.6
119.08602	0.5
123.46024	0.4
128.06233	4.0
129.07025	5.9
131.04953	5.6
131.08575	0.5
133.10240	0.3
142.04143	1.6
143.04942	3.9
144.05721	4.4
145.06496	9.2
146.07294	2.4
155.04887	0.9
155.06052	1.5
157.06541	1.1
158.07294	23.5
159.04434	16.4
159.08037	1.3
173.05911	0.5
174.06784	72.7
175.07321	1.3
189.09126	100.0
190.09447	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	Bullatenone
Peak:m/z	Relative Intensity
54.31096	0.4
70.76017	1.3
83.63858	0.4
90.71049	0.4
103.05463	1.2
115.05461	2.5
117.07035	0.5
128.06250	4.1
129.07031	7.0
131.04956	6.0
142.04153	1.4
143.04936	4.3
144.05707	4.0
145.06497	9.5
146.07326	2.8
155.04915	0.7
155.06030	1.2
157.06548	1.2
158.07286	21.8
159.04431	16.3
159.08109	0.8
173.06093	0.6
174.06784	66.8
175.07283	0.9
189.09125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	Bullatenone
Peak:m/z	Relative Intensity
53.47331	0.3
69.67422	1.7
91.05499	1.0
94.13369	0.3
103.05470	1.9
105.06425	0.4
105.07019	1.7
114.33182	0.3
115.05459	3.7
116.06222	0.9
117.03605	0.3
117.07045	1.0
119.08555	0.3
127.05412	0.3
128.06235	4.1
129.06055	0.3
129.07011	6.6
129.07925	0.5
130.07755	0.7
131.04947	6.6
131.08582	0.4
132.24277	0.3
133.06497	1.7
142.04155	1.1
143.04932	5.1
144.05728	4.3
145.06497	5.7
146.07298	2.0
155.04941	0.4
155.06023	1.7
156.05707	0.4
157.06509	1.4
158.07292	26.4
159.04431	16.9
159.05795	0.5
159.08022	1.3
161.06001	0.6
173.05998	1.1
174.06787	77.7
175.07315	0.9
189.05586	6.5
189.09129	100.0
190.09488	1.0
200.46568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.5
58.06588	1.1
68.96828	0.4
69.49809	0.5
69.77559	2.8
72.08163	0.9
72.91819	0.6
78.40819	0.5
87.04542	0.5
91.05478	1.2
93.53482	0.5
98.21486	1.0
103.05486	1.6
105.07036	1.0
107.08595	0.6
115.05459	4.7
116.06234	0.7
117.07037	0.9
127.05494	0.5
128.06223	4.9
129.03357	0.7
129.07016	8.9
130.07767	1.1
131.04921	6.5
142.04140	1.6
143.04910	6.5
143.08614	0.7
144.05702	4.8
145.06477	7.5
146.03635	0.5
146.07314	3.4
155.06058	1.9
157.02873	1.1
157.06461	1.6
158.07278	31.0
159.04430	22.8
159.08044	1.9
161.05980	1.1
161.09776	0.6
173.06006	1.7
174.06773	84.1
175.03951	0.7
175.07236	0.9
180.58882	0.8
189.05634	2.9
189.09113	100.0
190.09476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0911
Annotation	Bullatenone
Peak:m/z	Relative Intensity
55.41895	0.5
70.72617	0.4
70.90798	1.1
89.45468	0.4
103.05484	1.8
115.05447	4.6
115.99568	0.4
116.06272	1.2
119.46304	0.5
125.99203	0.4
128.06230	4.8
129.07010	8.7
130.07790	0.9
131.04929	6.1
132.85699	0.5
136.91148	0.5
142.04147	2.0
143.04938	6.3
144.05701	6.2
144.90526	0.5
145.06506	4.5
146.07265	2.5
155.04927	1.0
155.06067	2.0
157.06488	0.7
158.07283	30.9
159.04431	23.3
159.07999	2.0
170.09047	0.5
173.06033	1.3
174.06775	91.5
175.07329	1.1
189.09119	100.0
190.09532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	Bullatenone
Peak:m/z	Relative Intensity
69.44247	3.0
91.05479	0.4
92.32381	0.5
98.20773	0.7
103.05446	1.3
115.05450	4.4
116.06242	1.1
128.06261	3.9
129.07010	7.6
130.07774	0.8
131.04938	8.5
142.04176	2.2
142.19566	0.5
143.04938	5.6
144.05699	4.0
145.06493	6.3
146.07278	2.3
155.06058	2.0
156.05818	0.6
157.06570	0.5
158.07292	34.6
159.04434	26.7
159.08009	1.6
160.04785	0.7
162.21997	0.5
173.06018	1.3
174.06783	85.5
174.53812	0.5
175.07253	1.3
189.09128	100.0
190.09377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86801	0.6
83.49579	0.3
103.05474	1.8
105.03395	0.4
105.61522	0.3
106.46732	0.3
115.05444	2.6
116.06296	0.5
117.07020	0.5
127.05410	0.4
128.06245	4.2
129.07016	5.6
130.07730	0.4
131.04936	8.4
142.04175	1.3
143.04945	5.3
144.05711	3.9
145.06493	5.2
146.07248	1.8
155.04906	0.7
155.06056	1.4
157.06474	1.0
158.07291	27.5
159.04436	21.4
159.08022	1.5
171.11623	0.4
173.06061	1.1
174.06783	73.2
175.07291	0.7
188.08432	0.3
189.05630	3.5
189.09125	100.0
190.09413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65948	0.3
53.51529	0.3
58.06602	0.4
69.26156	0.3
70.73260	0.6
70.73618	0.6
71.87541	0.3
72.08170	0.3
85.02902	1.0
85.83298	0.3
91.05506	0.5
103.05478	2.0
105.07044	1.0
115.05474	3.9
116.06266	0.6
117.07024	0.7
119.08665	0.3
128.06245	4.0
129.07019	7.7
130.07858	0.5
130.08778	0.3
131.04947	8.7
131.08588	0.4
139.83978	0.3
142.04147	1.7
143.04936	5.2
144.04599	0.3
144.05730	5.0
145.06503	4.2
146.07300	2.2
147.11781	0.3
155.04932	0.6
155.06078	1.4
156.05772	0.4
157.06493	0.7
158.07294	28.8
159.04437	22.9
159.08020	1.6
161.06039	0.5
161.09628	0.3
173.06036	1.0
174.06789	81.5
175.07373	1.3
180.10814	0.3
188.08295	0.3
189.05675	2.3
189.09129	100.0
190.09491	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0913
Annotation	Bullatenone
Peak:m/z	Relative Intensity
55.05525	0.6
56.05066	0.5
58.06605	3.5
65.03944	0.5
67.05509	0.5
68.99807	0.8
69.03448	0.7
69.07074	0.8
69.15385	4.2
70.06582	2.3
71.07365	0.5
72.08163	1.6
79.05495	1.0
81.07085	2.3
84.08147	1.0
85.02911	1.8
86.62646	0.6
91.05485	3.2
93.07078	0.9
95.04954	0.5
95.08613	1.2
97.06503	0.4
103.05463	2.6
103.06082	0.4
104.00910	0.5
105.03452	0.6
105.07034	4.8
115.05470	4.9
116.06226	1.1
117.07019	1.0
119.04944	1.3
119.08606	3.8
121.06537	1.0
121.10207	0.7
128.06238	6.2
129.07018	11.1
130.07768	1.1
130.08685	0.6
131.04922	9.9
131.08586	1.7
133.02852	0.8
133.06461	1.1
133.10146	3.3
142.04156	1.4
143.04935	5.7
143.08592	1.6
144.04498	0.7
144.05684	4.5
145.06468	6.5
145.10147	1.3
146.06061	1.1
146.07291	3.0
147.04431	1.0
147.08067	1.6
147.11720	2.4
148.05222	5.5
155.06075	2.3
156.09320	0.9
157.06445	2.3
157.07597	0.6
158.07281	29.8
159.04431	23.2
159.06674	1.0
159.08025	1.7
160.07568	0.7
161.05974	2.9
161.07179	0.8
161.09650	4.3
161.13289	1.0
171.04395	0.9
171.11708	1.3
173.05939	0.6
174.06778	85.0
175.07396	1.2
180.58937	1.3
189.05508	4.6
189.09119	100.0
189.12572	5.6
189.16286	3.2
190.06262	0.6
190.09433	0.7
194.94064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06611	0.5
60.50325	0.5
60.53374	0.5
70.83571	1.1
78.37334	0.4
80.48896	0.5
89.76649	0.4
91.05511	0.8
103.05472	2.1
105.07074	0.6
109.94111	0.4
115.05454	4.4
116.06285	0.8
117.07050	0.6
119.08627	0.4
128.06229	4.0
129.07016	9.0
130.07745	1.2
131.04945	7.0
131.08629	0.5
142.04160	1.8
143.04955	5.6
143.08557	0.7
144.05722	5.9
145.06505	5.7
146.07253	2.8
151.10007	0.5
155.06062	1.4
157.06473	1.0
158.07291	30.6
159.04433	27.4
159.08005	2.0
170.29732	0.5
173.05997	1.2
174.06786	84.8
175.07297	1.5
189.09123	100.0
190.09409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0913
Annotation	Bullatenone
Peak:m/z	Relative Intensity
62.70572	0.4
65.49347	0.3
67.05519	0.5
70.97738	0.4
71.10976	0.8
73.00829	0.4
81.80271	0.5
84.08164	0.5
91.05508	0.8
103.05476	1.3
105.07025	1.5
115.05457	3.7
116.06250	0.6
117.07017	1.0
119.04949	0.5
119.08589	2.1
123.00210	0.4
127.73309	0.4
128.06250	5.4
129.07022	7.5
130.07784	0.4
131.04950	6.8
131.08583	1.1
133.10143	1.0
141.74039	0.4
142.04112	1.2
143.04947	4.9
143.08670	0.6
144.05719	3.6
145.06499	5.4
145.10100	0.8
146.07256	2.2
147.08017	0.7
147.11771	0.5
155.06050	1.7
156.09373	1.3
157.06480	1.2
158.07294	27.7
159.04437	20.3
159.08089	1.0
160.05116	0.7
161.05998	1.7
161.09583	0.5
161.13271	0.7
171.11703	1.6
173.06030	1.0
174.06784	81.4
175.07343	1.2
189.09129	100.0
190.09457	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0911
Annotation	Bullatenone
Peak:m/z	Relative Intensity
58.06626	1.4
61.33262	0.4
70.06618	0.7
71.52554	0.7
72.08174	1.6
76.12768	0.4
91.05518	1.5
94.25000	0.4
98.21326	0.6
103.05472	2.2
105.07066	1.1
107.05040	0.5
115.05456	4.3
116.06252	1.8
117.07062	1.2
127.05006	0.4
128.06229	5.9
129.07021	10.7
130.07820	0.9
131.04947	7.2
131.08549	0.9
133.10135	1.0
142.04147	2.6
143.04935	6.5
144.04529	0.7
144.05701	6.1
145.06494	7.7
145.10239	0.6
146.07266	3.6
150.24017	0.4
155.04922	0.8
155.06070	2.0
157.06534	0.7
157.07774	0.4
158.07283	32.9
159.04431	28.4
159.05791	0.4
159.06551	0.7
159.08063	2.2
160.07578	0.5
161.09628	0.9
171.11659	0.5
173.06030	1.2
174.06781	94.1
175.07394	1.2
180.58958	1.0
189.09120	100.0
190.09438	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96182	0.5
57.43590	0.5
58.06594	0.9
63.28133	0.4
70.06591	0.7
71.52761	0.5
71.53172	0.5
72.08141	0.6
73.77105	0.5
79.05533	0.6
81.07063	0.8
83.05005	0.5
84.04485	0.4
84.08167	0.6
85.02889	1.3
91.05494	1.7
92.82433	0.4
93.07060	0.6
95.08604	1.0
103.05487	1.6
105.07023	3.6
107.04985	0.5
107.08584	0.7
115.05460	4.5
116.06239	1.3
117.07026	1.7
119.08589	2.0
121.06507	0.5
127.05502	0.6
128.06226	6.3
129.07016	11.0
130.07759	1.0
131.04926	7.8
131.08575	1.8
133.06502	0.7
133.10118	2.5
142.04146	1.9
143.04941	6.5
143.08565	1.7
144.05688	4.6
145.06474	6.2
145.10110	0.6
146.07324	2.8
147.08035	1.1
147.11717	1.3
154.89619	0.4
155.06049	1.8
157.06538	1.9
158.07278	30.1
159.04427	26.2
159.08063	2.1
161.05966	1.4
161.09573	2.1
171.07974	0.6
171.11725	0.8
173.05972	1.2
174.06775	86.9
175.07336	0.8
189.05634	2.2
189.09117	100.0
189.16389	2.3
190.09444	0.9
203.07776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	Bullatenone
Peak:m/z	Relative Intensity
69.03423	0.4
69.07085	0.6
70.30238	0.8
70.30629	0.8
77.03925	0.5
81.07051	0.4
87.07284	0.4
91.05486	1.0
95.08597	0.4
98.20798	0.5
103.05454	1.8
105.07058	1.9
107.04980	0.4
115.05460	3.7
116.06269	0.6
117.07037	1.1
119.08581	1.3
127.57969	0.3
128.06230	5.6
129.07013	7.7
129.07928	0.6
130.07794	1.0
131.04945	9.4
131.08546	0.9
133.06529	0.8
133.10112	1.0
142.04135	1.9
143.04948	5.6
143.08562	1.1
144.05733	4.1
145.06500	5.9
145.10118	0.6
146.07268	1.7
147.11703	0.8
155.04938	0.7
155.06065	2.3
157.06519	1.2
158.07291	28.8
159.04433	25.3
159.08066	1.4
161.06041	1.0
161.09612	0.7
171.11649	0.7
173.06017	0.9
174.06781	83.8
175.07373	0.9
189.05638	3.2
189.09122	100.0
190.09413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0913
Annotation	Bullatenone
Peak:m/z	Relative Intensity
51.02382	0.5
55.01884	0.5
55.05514	0.9
58.06612	2.7
65.03955	0.6
68.99801	0.6
69.77474	2.2
70.06593	1.3
71.07387	0.9
72.08163	1.4
79.05518	0.6
81.07085	0.6
81.29781	0.5
83.04975	0.5
84.08148	0.7
85.02922	1.9
85.23830	0.5
90.12071	0.5
91.05491	2.7
93.07052	1.2
95.08625	0.9
103.05480	2.2
105.07029	3.9
107.04958	0.7
107.08605	0.8
115.05459	5.0
116.04975	0.5
116.06255	1.0
116.07007	0.5
117.07075	2.0
119.06166	0.4
119.08569	2.8
121.06522	0.7
128.06241	5.9
129.07016	9.6
130.06505	0.5
130.08678	0.5
131.04932	6.8
131.08580	1.6
133.06508	0.9
133.10124	3.5
142.04181	1.3
143.04942	5.5
143.08603	1.8
144.05736	3.7
145.05365	0.7
145.06477	4.9
145.10152	0.7
146.06119	0.9
146.07272	3.3
147.04460	1.3
147.08084	1.8
147.11722	2.5
148.05182	0.5
155.04951	0.5
155.06035	2.4
156.09377	1.5
157.06525	1.7
158.07291	27.5
159.04442	21.9
159.06705	0.9
159.08070	1.8
160.05225	0.6
161.05994	1.8
161.09587	2.4
161.13266	0.6
171.08215	0.6
171.11713	1.5
173.05984	1.0
174.06783	81.0
175.07465	1.3
180.58937	1.3
189.05547	3.9
189.09125	100.0
189.12610	5.8
189.16356	2.4
190.09499	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.092
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
51.02115	0.3
55.05513	1.1
56.05041	1.9
57.03437	1.0
57.60217	0.3
58.06601	0.6
59.05004	1.9
60.04527	0.8
61.02934	8.6
68.05033	0.4
69.03426	0.6
70.02968	2.2
70.03273	0.4
70.06606	0.4
70.77802	0.8
71.04996	1.2
72.08176	0.6
75.04467	0.8
82.06591	2.0
83.04980	3.6
84.04513	100.0
85.02915	18.1
85.03442	0.5
86.06078	0.9
87.04482	6.9
93.40297	0.4
100.07631	1.7
101.06010	0.4
110.06057	2.3
111.04462	1.0
118.06559	0.5
126.05528	4.8
128.07100	5.2
129.05502	1.5
142.08612	0.8
146.06030	0.6
146.08134	1.0
163.12802	0.3
170.08168	0.9
173.05719	0.4
188.07851	1.2
188.09239	13.4
189.09164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.5
56.05038	0.6
58.06598	0.4
60.04527	0.8
61.02929	0.7
67.05515	0.4
68.99794	1.4
69.07064	0.8
70.02953	0.7
70.06591	0.4
70.73111	1.1
72.04533	0.5
72.08143	0.9
81.03419	0.4
82.06557	0.7
84.04512	10.7
84.08156	0.5
85.02907	2.1
86.09712	100.0
87.04473	1.5
87.10018	0.6
89.02541	0.3
90.92152	0.3
91.05483	1.7
93.07052	0.5
93.40608	0.3
95.04999	0.4
100.07642	0.7
103.05479	5.4
104.05043	0.5
105.07048	0.7
110.06047	0.5
112.11272	0.5
114.09154	0.5
115.05442	0.6
117.07021	0.4
118.06548	8.6
120.08115	18.2
126.05529	0.5
126.36308	0.3
128.04982	0.7
128.07077	2.3
128.10725	26.3
129.07068	0.7
131.08611	0.4
142.08659	1.4
145.06133	0.7
146.06020	3.5
146.06960	0.4
146.08107	0.8
146.10631	0.6
146.11768	15.7
147.08066	0.6
156.10252	2.4
158.07294	0.5
160.08578	0.5
170.08188	1.2
171.14964	0.4
172.41927	0.3
173.05774	1.0
174.06870	1.5
188.07253	1.7
188.07872	2.3
188.09447	2.6
188.10913	0.5
188.11516	0.4
188.12950	0.5
189.05476	0.5
189.09100	2.4
189.12738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1331
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03946	2.1
54.61401	0.9
55.05511	3.4
57.07077	2.9
59.04997	3.4
67.05512	5.9
67.05827	1.0
69.03409	1.0
69.07074	17.3
69.51862	5.7
71.05000	27.6
79.05501	18.8
81.03365	1.1
81.07064	100.0
83.04996	6.4
83.08605	1.3
84.08149	4.4
86.09721	2.1
87.08100	1.2
87.18803	0.9
89.06046	2.0
91.05481	1.6
93.07037	3.1
95.04994	2.4
95.08604	3.6
97.06545	6.0
97.10211	1.3
99.08098	5.5
105.07040	2.7
105.56408	1.1
107.08601	11.0
109.06559	2.8
109.10163	18.7
111.08108	5.0
111.11718	7.6
121.10170	3.8
123.11715	21.9
125.09562	1.4
129.10197	1.1
133.10112	2.5
139.11200	10.9
141.12628	1.0
144.05649	0.9
151.11194	13.5
155.03334	1.1
157.12260	4.0
169.12277	9.4
187.08743	2.3
187.13266	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	188.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80152	0.5
62.40548	0.4
69.73758	2.0
91.05469	3.4
103.05482	0.6
115.05466	5.3
117.05767	1.0
117.07033	4.1
117.22200	0.4
118.06553	61.6
119.06922	0.4
119.72131	0.5
128.04964	0.5
132.08105	1.0
142.06529	4.3
143.07323	9.0
144.04492	1.0
144.08098	23.6
146.06020	100.0
147.06383	0.7
155.06104	0.6
160.07607	1.2
163.53024	0.4
163.76015	0.4
169.40004	0.4
170.06036	7.8
188.07077	27.6
189.07301	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
66.94778	0.5
70.90826	0.9
79.21542	0.4
87.81823	0.5
91.05476	3.7
115.05460	5.2
117.05774	1.3
117.07021	4.5
118.06551	66.3
132.08121	0.8
142.06555	5.4
143.07317	10.6
144.04460	1.2
144.08096	23.6
145.06526	0.6
146.06020	100.0
147.06396	0.8
155.06068	0.9
160.07536	1.1
170.06018	9.1
170.07332	0.9
172.37910	0.6
188.07082	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1331
Annotation	2,6-Dimethyl-3,6-octadiene-1,2,8-triol
Peak:m/z	Relative Intensity
53.03962	0.6
55.01875	6.4
55.05507	2.2
56.05049	0.6
57.07074	0.7
61.02954	0.6
67.05509	3.5
67.43291	0.5
69.03444	5.1
69.07068	3.2
70.84518	1.2
71.04997	1.9
79.05502	1.6
81.03440	3.6
81.07053	10.7
83.08621	1.6
84.08148	1.0
85.02898	1.2
85.06553	5.1
86.09697	2.7
88.02226	3.7
91.05472	1.2
93.07057	3.0
95.08622	5.0
97.06563	0.8
99.04476	1.9
99.08071	0.7
103.42739	0.6
105.07051	1.1
107.08611	2.5
107.89530	0.5
109.02894	1.6
109.10161	4.2
111.08093	100.0
112.08445	0.7
112.41890	0.5
115.05481	1.6
117.07063	1.2
123.11711	4.3
125.09647	7.0
127.03941	0.8
131.04956	1.8
131.08607	1.8
133.10133	1.9
139.11185	0.8
141.12733	1.2
144.05713	1.7
144.08124	0.8
145.06490	0.9
145.10149	1.7
151.11206	5.6
154.07777	0.8
158.07259	0.7
159.04430	1.2
159.08105	2.1
160.07396	0.6
169.10106	1.4
169.12248	13.8
172.05246	1.7
173.00864	0.7
185.08020	0.6
187.03954	3.0
187.06004	1.3
187.07558	4.6
187.09048	4.7
187.11205	3.4
187.12730	1.1
187.14841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.133
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
50.20069	2.0
53.03940	3.2
53.71643	2.0
55.01856	2.8
55.05514	9.9
56.96565	13.8
59.05014	4.0
67.05517	20.7
69.03429	21.4
69.07070	41.8
69.38684	12.4
69.39100	4.3
71.05000	28.6
72.08167	3.7
79.05493	17.6
80.50026	3.7
81.03426	11.2
81.07063	100.0
83.05003	4.5
83.08621	5.0
84.08151	4.8
85.02896	3.4
85.06538	7.9
88.02211	6.7
89.50544	20.9
91.05479	7.8
93.07047	8.4
95.04984	4.2
95.08617	23.9
97.02885	3.7
97.06528	6.6
97.99169	8.6
98.21522	5.1
98.51057	12.8
99.02845	4.1
99.04453	7.9
99.08095	6.6
101.01321	2.8
101.42948	1.9
103.05448	5.7
103.76038	2.1
105.07023	14.8
107.04978	4.9
107.08604	17.9
109.06535	2.7
109.10164	89.5
110.01818	2.5
111.08081	19.4
111.11721	6.0
113.06031	3.8
113.09664	12.8
115.05454	3.2
116.00218	6.9
121.10146	3.1
123.08133	2.3
123.11709	33.0
124.95481	2.4
125.09638	44.2
127.11199	19.4
129.07002	2.6
129.77325	2.0
130.79675	2.1
131.04948	11.9
131.08580	4.1
132.53136	6.9
133.10155	5.0
139.11143	7.5
141.05380	2.2
141.53569	2.9
142.96553	6.0
144.05711	9.6
151.11192	23.6
157.12276	3.7
159.08122	4.5
159.11702	3.0
159.99237	6.8
160.97586	4.1
163.01756	1.9
163.53004	2.5
169.12239	29.5
172.05185	8.9
173.00798	3.6
178.00266	5.6
187.03856	14.1
187.07365	24.1
187.08774	5.9
187.11099	10.4
187.12808	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	187.112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31059	1.0
53.03935	3.5
55.01860	2.6
55.05517	8.7
57.03425	1.6
57.07064	1.8
59.05001	2.3
67.05505	8.5
69.03436	7.0
69.06737	1.2
69.07074	21.3
70.06603	5.6
71.04671	1.4
71.04999	18.9
71.06915	2.1
71.51315	1.3
72.08167	6.3
73.02920	1.1
79.05502	17.5
80.18105	1.1
81.03427	9.7
81.07063	83.4
83.04967	4.4
83.08621	5.0
84.04504	2.0
84.08147	24.9
85.02891	3.7
85.08480	1.6
86.09229	1.4
86.09713	19.8
87.08127	1.2
88.02236	9.3
91.05486	12.5
93.07037	5.8
95.04998	5.1
95.08608	6.6
96.95940	1.0
97.02893	2.8
97.06512	4.3
97.10176	1.8
98.97577	1.7
99.04456	3.0
99.06370	1.1
99.08084	3.8
101.06038	1.6
103.05476	2.2
105.07039	13.6
107.04994	6.6
107.08591	11.9
109.02921	2.2
109.06515	4.5
109.10167	17.0
111.08083	3.3
111.11737	7.4
115.05382	6.3
116.06278	2.5
117.07028	15.1
118.03755	1.5
118.06557	1.3
119.04929	2.2
119.08593	35.6
121.10122	2.6
123.04411	1.6
123.08074	2.6
123.11714	18.1
126.12709	1.3
127.03869	1.2
127.05809	1.2
127.07602	1.8
128.06187	2.9
128.07059	1.2
129.07014	12.1
129.09340	1.4
129.10239	11.0
130.07797	3.7
131.04947	8.2
131.08575	24.8
133.10109	3.6
139.11176	9.4
141.06984	8.5
142.07768	4.8
143.08568	5.9
144.05707	27.0
144.09358	14.1
145.06502	35.7
145.10138	12.7
146.03214	2.1
147.04413	3.1
150.44820	1.2
151.11209	11.4
153.07021	1.7
154.07767	6.4
155.06049	2.9
157.06525	6.2
157.10179	7.6
157.12244	3.8
158.06079	1.3
158.07286	26.1
159.08081	43.8
159.09155	2.7
159.11699	46.8
169.05016	1.7
169.07654	2.4
169.10124	15.2
169.12199	6.0
171.08022	1.5
172.05203	20.6
172.08835	40.4
173.05508	1.2
187.03885	9.7
187.07565	69.2
187.11188	100.0
187.14931	3.6
188.07649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.133
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03931	2.8
55.01876	2.0
55.05516	7.9
56.05013	1.4
57.03432	1.0
57.07072	1.8
59.04990	2.3
61.17469	1.0
65.03937	1.7
67.05505	8.8
69.03434	6.1
69.06731	1.5
69.07074	20.9
70.06602	6.3
70.18668	0.9
71.05000	23.9
71.06916	2.6
71.51730	1.0
72.08166	6.1
73.06514	1.2
79.05067	1.4
79.05492	16.0
81.03428	7.3
81.07064	100.0
83.04984	5.9
83.08607	4.2
84.04527	1.6
84.08153	14.4
85.02924	5.0
85.06519	1.9
85.08462	1.5
86.09707	11.9
88.02221	10.9
88.05974	1.0
89.06014	1.5
90.34859	1.0
91.05490	8.2
93.07043	7.0
95.04951	3.0
95.08614	5.1
97.02882	1.5
97.06556	6.2
97.10149	1.7
98.97587	2.3
99.04447	2.5
99.08088	5.2
105.07035	5.7
107.04961	1.4
107.08606	12.8
109.02877	1.5
109.06519	3.6
109.10166	19.6
111.04436	1.1
111.08082	2.0
111.11702	7.9
114.05537	1.3
115.05384	4.5
116.06248	1.7
116.07050	0.9
117.07021	9.3
118.03715	1.0
119.08594	9.6
121.06518	1.2
121.10120	3.4
123.08061	2.4
123.11711	19.5
127.03893	2.5
127.07568	1.9
128.06244	2.4
128.07095	1.3
129.07008	5.8
129.10245	5.5
130.06578	2.0
130.07669	1.6
131.04907	5.2
131.08572	12.1
133.10092	2.7
139.11186	9.9
141.07014	7.0
142.06682	1.2
143.04910	1.2
143.08556	3.9
144.05721	24.8
144.09349	4.2
145.06503	12.4
145.10114	4.0
146.03183	2.5
146.05974	1.2
147.04390	4.2
151.11211	13.4
154.07774	1.8
155.06023	1.4
157.06482	3.3
157.10100	2.3
157.12198	4.8
158.07292	8.1
158.99565	1.2
159.04411	2.0
159.06895	1.7
159.08086	18.5
159.09189	1.6
159.11697	16.7
167.06493	1.5
169.05132	1.4
169.07664	1.7
169.10118	4.3
169.12247	8.1
171.08139	1.0
172.03828	1.8
172.05217	22.1
172.08824	13.9
173.00813	1.8
187.03925	8.2
187.07545	74.9
187.11186	39.8
187.12717	2.0
187.14864	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67790	0.4
53.03950	1.1
55.05522	2.9
61.02917	0.5
67.05497	1.2
69.03416	0.9
69.87035	0.5
70.86115	1.1
75.72306	0.5
79.05495	2.5
81.03403	1.4
81.07040	0.5
81.53781	0.4
81.65633	0.5
83.08633	2.1
84.08146	1.4
85.02918	0.8
85.08463	0.9
88.02219	7.2
91.05480	3.4
95.04958	0.8
103.05522	0.5
105.07041	2.9
107.04941	0.6
109.02854	0.5
115.05461	2.1
116.06242	0.9
117.07052	2.4
119.08566	1.2
121.06510	2.7
126.93312	0.4
127.05872	0.9
128.06245	4.1
128.07076	0.6
129.07014	9.1
130.06490	0.6
130.07796	0.8
131.04942	1.8
131.06883	1.6
131.08578	10.0
133.06480	1.4
141.06946	3.1
142.07794	2.4
143.08536	2.5
144.05704	5.1
144.09360	4.1
145.06502	15.5
145.10133	2.8
146.07281	2.0
147.08015	0.5
154.07785	1.8
155.06044	0.5
157.06541	3.5
157.10173	3.7
158.07285	7.0
159.04514	0.5
159.07024	0.6
159.08066	14.3
159.11697	8.4
161.09650	1.1
169.04939	0.5
169.07619	0.7
169.10085	3.4
171.07962	0.8
171.09222	0.9
172.05223	3.4
172.07460	0.9
172.08844	12.3
173.00787	0.6
185.09673	0.6
187.03935	1.9
187.07619	11.6
187.11192	100.0
187.14638	3.0
187.22522	1.6
188.11543	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0755
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.54913	0.2
53.98487	0.2
58.70475	0.2
68.25676	0.2
69.50946	1.5
70.39217	0.2
73.71878	0.2
82.06586	0.2
84.56158	0.2
85.08517	0.2
88.02227	0.5
91.05473	1.0
99.48743	0.2
103.05511	0.3
113.00047	0.4
113.70559	0.2
115.05412	1.3
116.06264	1.4
126.03082	0.2
128.06215	0.4
129.07034	1.0
131.08545	1.1
131.84619	0.2
141.07007	0.8
144.05717	39.0
145.06232	0.4
145.10094	0.3
148.05472	0.3
154.11894	0.2
155.04939	0.4
155.06070	0.4
157.06496	0.4
159.08072	2.4
172.05206	35.8
173.05571	0.4
187.07558	100.0
188.07933	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85583	0.2
67.63337	0.2
69.97648	0.6
71.45200	0.2
79.05555	0.2
83.08655	0.3
84.08174	0.3
88.02230	0.8
91.05511	0.8
92.00694	0.2
99.62285	0.2
104.99220	0.2
113.00029	0.5
115.05492	0.8
116.06263	0.9
119.00094	0.2
127.05471	0.4
127.87411	0.2
128.06264	0.5
128.77405	0.2
129.07016	1.1
130.01912	0.2
131.08585	0.6
141.07025	0.8
144.05722	31.4
145.06381	0.3
145.10153	0.6
155.04929	0.5
155.06047	0.2
156.05647	0.2
157.06503	0.3
159.08101	2.3
159.11699	0.3
172.05211	32.4
173.00806	0.2
173.05562	0.3
181.86555	0.2
187.07562	100.0
187.22588	0.3
188.07864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0756
Annotation	o-Hibiscanone
Peak:m/z	Relative Intensity
53.03934	2.1
55.01876	6.9
55.05511	5.1
56.05018	1.2
56.96564	1.7
57.03412	1.7
57.07060	2.5
59.05003	1.0
60.05640	1.0
60.45092	0.8
65.03948	1.2
67.05502	4.6
69.03434	7.8
69.07052	2.7
70.06595	3.7
71.01361	8.9
71.04984	3.1
71.06912	0.9
72.08164	23.6
73.02902	2.6
79.05482	3.1
81.03427	10.4
81.07067	8.8
82.06580	1.1
83.01350	1.1
83.04979	1.9
83.08618	3.6
84.04485	2.6
84.08140	4.3
84.53279	0.8
85.02926	4.3
85.08475	1.0
86.09695	1.4
88.02230	10.0
91.05489	39.8
92.07887	1.5
93.07044	3.1
95.04965	2.4
95.08615	3.8
97.02901	2.3
97.06544	1.8
98.97590	1.9
99.04474	1.9
100.07622	1.3
100.98053	0.7
103.05476	2.8
105.03391	1.1
105.07028	3.1
107.04941	2.2
107.08611	1.7
109.02884	3.1
109.06493	1.7
109.10133	2.8
111.04414	1.7
111.08088	1.5
113.06010	1.4
114.05579	1.0
115.05451	16.7
116.06260	13.3
117.06351	1.0
117.07044	11.5
118.06543	1.1
119.08599	2.5
121.10143	1.0
121.94012	0.8
123.08080	2.7
123.11696	2.5
125.67018	0.8
127.03923	3.1
127.05830	1.2
128.02335	1.2
128.06256	4.7
129.07025	18.6
130.07796	1.1
131.04945	13.1
131.08580	65.5
132.08881	1.0
132.95818	1.4
133.10123	1.1
137.61302	0.8
141.06999	47.5
143.08656	0.9
144.05721	20.2
144.09332	1.4
145.06522	7.7
145.10071	2.2
146.03160	1.0
146.06012	1.2
151.03929	0.9
151.11165	1.9
155.13031	1.7
157.06506	7.6
158.07278	9.3
158.99686	1.4
159.08072	79.2
159.11646	5.1
163.97729	0.8
164.02234	0.9
169.05067	1.1
169.06485	12.9
169.07635	2.0
169.10159	1.5
170.06078	1.8
172.05200	7.0
172.08858	3.0
173.00826	2.0
174.96921	1.4
182.03224	1.7
187.03996	9.5
187.07556	100.0
187.11163	13.3
187.12686	2.5
187.14984	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	187.0756
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.01876	0.3
55.05522	0.6
56.96566	0.3
57.07080	0.3
59.99100	0.2
67.05514	0.4
69.03432	0.8
71.05034	0.2
71.52103	0.3
71.52480	0.2
72.08177	0.3
79.05502	0.4
81.03433	1.3
81.07079	0.5
83.08630	1.3
84.04522	0.3
84.08144	0.7
85.02914	0.6
85.06541	0.3
85.08488	0.4
88.02226	3.2
88.18387	0.2
91.05509	1.1
95.08645	0.2
97.06528	0.2
99.04465	0.4
99.06433	0.2
103.05511	0.3
107.08615	0.2
109.02917	0.5
111.14783	0.2
115.05399	1.4
116.06250	0.7
117.07034	0.7
127.03938	0.3
127.05888	0.3
127.13174	0.4
128.06276	0.8
129.07010	3.0
131.04936	0.8
131.08582	2.7
141.07027	1.0
143.08592	0.3
144.05722	32.7
145.06445	0.5
145.10129	1.9
146.62866	0.2
155.04878	0.3
155.06070	0.3
157.06534	1.4
158.07268	0.6
159.06966	0.4
159.08078	2.7
159.11684	0.9
165.74820	0.3
169.04970	0.3
172.05215	32.5
173.05846	0.3
187.07565	100.0
187.14862	1.6
187.22543	1.1
188.07962	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0756
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
58.66330	0.2
64.04934	0.3
66.41275	0.2
67.18731	0.2
71.52279	0.2
86.40189	0.2
88.02236	0.5
91.05480	0.6
109.77077	0.2
110.63011	0.2
115.05496	0.9
116.06238	1.0
127.05470	0.3
129.07030	0.6
131.08554	0.7
141.07005	0.9
144.05716	31.2
145.06055	0.3
152.41452	0.2
155.04900	0.5
155.06046	0.3
157.06429	0.3
159.08072	1.4
169.50333	0.2
170.82266	0.2
172.05205	30.6
173.05582	0.5
187.07556	100.0
188.07935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1538
Annotation	Speciosin H
Peak:m/z	Relative Intensity
53.03945	1.7
55.01870	3.5
55.05516	61.9
57.03432	5.2
57.07081	22.3
58.06552	1.3
58.38186	1.1
59.05003	4.6
61.41652	1.2
67.05179	2.1
67.05513	25.7
69.01492	1.1
69.03424	2.5
69.07075	100.0
71.05004	10.8
71.08647	12.4
71.52536	1.3
73.02928	2.6
73.06545	4.3
78.77670	1.2
79.05499	17.7
81.07063	41.8
83.04986	7.9
83.08627	89.8
84.04507	2.1
84.08151	4.2
85.02899	5.0
85.06554	9.1
85.10197	3.2
91.05489	4.4
93.07056	44.0
95.08613	23.7
97.06538	29.0
97.10177	15.6
99.08087	2.1
101.06016	3.3
101.09647	1.7
101.95036	2.2
102.96873	5.4
103.85495	1.3
105.07022	2.3
107.08602	42.1
107.09314	2.8
109.06538	1.6
109.10168	19.7
111.07375	1.8
111.08100	22.6
113.09641	2.3
114.05580	3.7
115.07589	4.3
116.59701	1.4
120.97907	5.0
121.10152	26.9
123.11730	8.4
125.09650	7.9
125.13264	4.6
126.05524	4.4
126.12781	2.1
127.10149	1.2
127.11151	1.4
128.06250	2.2
129.07010	5.9
129.09221	1.7
130.06531	1.7
138.98921	2.1
139.07567	2.0
140.07063	1.6
143.08588	2.1
145.06503	1.5
149.13272	78.6
155.04948	3.0
157.06441	1.7
157.10121	3.5
158.08171	1.3
167.13004	2.6
167.14328	28.8
170.10976	1.8
185.04457	2.9
185.05992	31.4
185.09534	4.6
185.13258	4.9
185.15446	3.1
186.07666	2.2
186.14894	1.7
186.22171	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	187.0755
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.05501	1.2
56.96553	1.2
57.03432	0.5
57.07066	1.0
64.06341	0.4
67.05499	0.6
69.03423	1.5
70.06578	0.6
70.53071	0.4
71.24968	0.4
72.08159	0.4
79.05473	0.6
81.03415	1.5
81.07071	1.1
83.08617	1.6
84.04530	0.5
84.08147	1.2
85.02885	0.8
85.08462	0.4
88.02222	6.5
91.05482	1.2
93.07076	0.5
95.08614	0.7
97.02874	0.5
99.56972	0.4
101.58747	0.4
104.77480	0.5
105.03384	0.7
105.07059	0.6
109.02900	0.7
113.74503	0.4
115.05489	1.3
117.07008	0.7
117.40389	0.4
119.97357	0.6
127.03932	0.8
127.13141	0.7
128.06198	0.4
129.07021	1.3
131.04956	1.2
131.08566	1.5
141.07158	0.6
142.06773	0.4
143.04924	0.5
144.05717	29.6
145.06419	1.0
145.10130	1.8
155.04846	0.5
157.06454	1.1
158.07236	1.3
159.06995	0.6
159.08087	3.9
159.11732	1.0
169.05008	0.5
172.05209	32.0
173.00871	0.8
173.05743	0.5
187.04105	2.7
187.07561	100.0
187.12680	2.0
187.14827	2.5
187.18869	2.3
187.22490	2.0
188.07956	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1175
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03952	1.7
55.01880	2.1
55.05506	5.2
57.03423	1.2
57.07088	1.5
59.04992	5.6
67.05506	4.8
69.03419	2.7
69.07076	9.5
69.17166	13.4
70.06607	2.6
71.05003	45.5
74.99428	1.4
79.05501	16.2
81.07064	35.7
83.05000	3.5
83.08617	1.9
84.08155	2.8
85.06551	2.5
86.09712	7.0
91.05482	4.9
93.07056	22.6
94.12843	1.3
95.04978	4.2
95.08621	16.4
97.06546	13.6
97.10173	1.9
102.96880	3.2
105.07043	7.9
107.08611	24.0
108.04517	1.6
109.06543	4.1
109.10162	1.6
111.04496	1.9
111.08098	9.7
114.05551	1.4
118.42152	1.1
121.06525	3.3
121.10157	100.0
122.10477	1.3
123.08072	3.7
123.11718	28.7
125.06010	16.7
125.09640	5.7
126.12730	1.3
129.09047	1.2
139.03912	3.7
139.07632	1.5
139.11198	42.2
146.06026	7.3
149.09636	9.9
153.09695	3.8
154.98302	1.6
158.06099	1.5
167.07062	2.3
167.10695	29.8
185.07187	2.3
185.11806	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	185.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05503	1.0
57.07081	0.6
60.95852	0.7
65.03938	2.7
69.07061	1.3
71.04986	0.6
79.05486	1.6
81.07050	0.7
84.08134	1.1
85.02895	1.2
85.06591	0.5
91.05484	1.7
92.74050	0.5
93.03415	0.9
93.07038	0.7
98.06058	0.6
101.95030	2.2
102.96871	5.9
107.08570	0.7
114.05524	1.6
115.05450	3.2
116.06246	0.7
116.16395	0.5
117.06989	1.1
119.04905	0.6
119.96030	1.1
120.97926	4.5
121.00818	0.5
126.05509	1.7
128.06218	5.9
129.07018	12.6
131.04938	2.0
137.97099	0.6
138.98955	2.8
139.01816	2.0
141.07002	11.8
142.07793	46.8
143.04950	0.6
143.08495	1.1
143.99454	0.7
144.02338	0.6
144.05684	1.6
145.06503	4.4
152.06146	2.4
153.06975	0.5
155.04903	1.6
155.06052	0.9
155.08539	3.5
156.05650	1.1
156.09251	1.0
156.99991	0.6
157.06537	5.2
157.10141	18.7
159.08083	0.6
165.06973	0.9
167.08565	2.2
169.06461	3.3
170.05923	0.8
170.07281	10.1
183.08076	2.4
185.06071	8.3
185.09619	100.0
185.13210	2.1
186.07622	0.7
186.09914	0.8
186.14919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.1
53.03942	0.1
55.01873	1.4
55.05513	0.2
57.03431	0.1
57.07085	0.2
63.02402	0.1
65.03947	2.7
67.05518	0.3
69.03440	0.2
69.07068	0.2
71.51969	0.1
77.03928	0.1
79.05488	0.6
84.08138	0.2
85.02917	0.2
91.05482	2.1
93.03403	1.3
93.07072	0.2
95.04981	0.1
101.95037	0.3
102.49905	0.1
102.96877	0.8
103.05490	0.3
105.04553	0.1
105.07022	0.5
107.04965	0.3
114.05553	0.2
115.05453	3.2
115.06278	0.2
116.06248	0.3
117.07066	0.8
119.04954	1.0
119.08604	0.4
120.97920	0.6
121.00851	0.1
126.05516	0.2
126.12775	0.1
127.05453	0.3
128.06226	4.6
129.07016	12.2
131.04916	1.0
131.08623	0.3
137.06073	0.4
138.98938	0.3
139.01839	0.1
140.07051	0.2
141.05865	0.2
141.06996	8.7
142.07788	47.0
143.04919	0.3
143.08606	1.8
144.05722	2.6
145.06500	3.5
146.06819	0.1
152.05005	0.2
152.06229	2.8
153.07022	0.6
154.07651	0.1
155.04932	1.4
155.06078	0.6
155.08565	2.9
156.05673	0.5
156.09335	0.6
157.06512	6.2
157.10138	16.7
158.07005	0.1
158.10501	0.3
159.08055	0.4
162.00581	0.1
162.03348	0.1
165.07024	1.6
166.07828	0.7
167.08575	3.2
168.05710	0.2
169.06467	3.9
169.07674	0.6
170.07278	14.2
171.07700	0.2
183.06491	0.2
183.08061	2.8
184.08856	0.3
184.69020	0.1
185.09625	100.0
186.07629	0.2
186.10046	1.4
195.09279	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01871	1.6
56.27643	0.3
58.76011	0.4
65.03960	0.6
65.69359	0.3
71.17786	0.3
71.43696	0.3
71.44038	0.3
71.88942	0.4
72.19127	0.3
79.05503	0.6
91.05498	3.0
93.03440	0.4
102.96899	0.5
103.05499	0.7
112.77442	0.3
115.05467	2.5
117.07040	0.5
119.04990	1.6
127.05427	2.6
128.06227	5.2
129.07021	13.4
131.04939	0.5
137.05998	0.7
141.07004	4.2
141.68983	0.4
142.07794	21.9
143.04938	0.6
143.08560	1.5
144.05699	3.1
145.06490	2.2
152.06241	2.6
153.07004	1.3
155.04947	7.8
155.06084	1.8
155.07352	0.5
155.08566	5.8
157.06516	6.8
157.10139	11.2
165.07007	1.2
166.07841	0.4
167.08594	3.5
169.06432	3.1
169.07579	0.5
170.07288	37.0
171.07677	0.6
183.08038	0.7
185.06021	46.7
185.09622	100.0
186.06345	1.0
186.09958	1.3
199.12921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.07084	0.3
62.91726	0.2
65.03951	2.4
67.05502	0.3
70.36580	0.8
76.20200	0.2
77.32658	0.2
79.05495	0.5
82.81198	0.2
84.91068	0.2
90.75893	0.2
91.05486	1.4
93.03408	1.2
100.34276	0.2
101.95035	0.3
102.96899	1.2
103.05505	0.3
105.07023	0.4
115.05455	2.7
116.06261	0.4
117.07032	0.9
119.04968	0.4
120.97924	0.6
126.05520	0.2
127.05539	0.2
128.06229	4.5
129.07019	11.0
131.04932	1.6
131.08606	0.4
141.07001	9.6
142.07791	45.2
143.04988	0.4
143.08600	1.4
144.05713	2.5
145.06509	4.0
152.06226	2.8
153.07031	0.4
155.04927	1.8
155.06078	0.6
155.08546	2.2
156.05717	0.9
156.09344	0.6
157.06522	5.9
157.10139	17.3
159.08084	0.5
165.07065	1.1
166.07716	0.4
167.08580	2.4
169.06479	3.7
169.07677	0.5
170.06175	0.5
170.07281	11.4
183.08083	2.8
184.07503	0.3
185.06216	4.1
185.09631	100.0
186.09160	0.8
186.09956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05503	1.0
57.07081	0.6
60.95852	0.7
65.03938	2.7
69.07061	1.3
71.04986	0.6
79.05486	1.6
81.07050	0.7
84.08134	1.1
85.02895	1.2
85.06591	0.5
91.05484	1.7
92.74050	0.5
93.03415	0.9
93.07038	0.7
98.06058	0.6
101.95030	2.2
102.96871	5.9
107.08570	0.7
114.05524	1.6
115.05450	3.2
116.06246	0.7
116.16395	0.5
117.06989	1.1
119.04905	0.6
119.96030	1.1
120.97926	4.5
121.00818	0.5
126.05509	1.7
128.06218	5.9
129.07018	12.6
131.04938	2.0
137.97099	0.6
138.98955	2.8
139.01816	2.0
141.07002	11.8
142.07793	46.8
143.04950	0.6
143.08495	1.1
143.99454	0.7
144.02338	0.6
144.05684	1.6
145.06503	4.4
152.06146	2.4
153.06975	0.5
155.04903	1.6
155.06052	0.9
155.08539	3.5
156.05650	1.1
156.09251	1.0
156.99991	0.6
157.06537	5.2
157.10141	18.7
159.08083	0.6
165.06973	0.9
167.08565	2.2
169.06461	3.3
170.05923	0.8
170.07281	10.1
183.08076	2.4
185.06071	8.3
185.09619	100.0
185.13210	2.1
186.07622	0.7
186.09914	0.8
186.14919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
53.03950	0.4
55.01873	0.3
55.05501	0.4
60.95836	0.2
67.05482	0.4
69.07064	0.7
70.06570	0.4
70.30338	0.6
70.30662	0.3
70.98563	0.2
77.03934	0.4
79.05486	0.3
81.07036	0.4
84.08141	0.3
85.02901	0.3
85.66472	0.2
87.36095	0.2
93.07038	0.5
95.04980	0.4
95.08596	0.3
97.06515	0.4
98.21600	0.3
100.03140	0.2
101.95030	0.9
102.04680	0.3
102.96889	1.8
103.04816	0.3
103.05464	3.1
104.30117	0.2
105.04523	0.3
106.78734	0.2
107.08565	0.2
114.05520	0.5
115.05450	1.1
116.05740	0.3
117.07034	0.3
120.97931	1.2
121.00746	0.4
121.10158	0.6
123.68655	0.2
125.18306	0.2
126.04670	0.2
126.05521	0.4
127.05441	3.5
128.06230	4.1
129.07013	7.4
131.04916	0.3
138.98926	0.7
139.01801	0.4
140.07091	0.3
142.07774	0.8
143.04944	0.8
143.99603	0.2
145.06490	1.7
149.13258	0.3
155.04910	6.2
155.06065	2.0
157.06487	1.4
157.10193	0.7
162.00560	0.2
168.06587	0.3
170.10896	0.4
185.05986	100.0
185.13290	1.0
186.06346	1.1
186.22148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0599
Annotation	Dibenzo-p-dioxin
Peak:m/z	Relative Intensity
53.03932	0.3
55.01891	0.1
62.43781	0.1
70.43074	0.3
70.43443	0.3
76.34344	0.1
77.03929	0.5
81.07068	0.2
85.08861	0.1
93.07081	0.2
95.04988	0.3
97.06564	0.1
98.21350	0.2
101.95013	0.2
102.04704	0.3
102.96870	0.5
103.05477	3.0
105.04490	0.2
107.08599	0.2
115.05469	1.2
120.97878	0.3
126.04646	0.2
127.05451	3.7
128.06242	3.8
129.07016	7.5
130.04724	0.1
131.04932	0.4
136.00456	0.1
139.05466	0.1
142.07822	0.2
143.04942	0.8
145.06473	1.6
155.04915	6.5
155.06071	1.9
155.08667	0.2
157.06480	1.1
157.10150	0.2
170.10939	0.2
183.04333	0.2
184.05209	0.2
185.05989	100.0
186.06326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0599
Annotation	Dibenzo-p-dioxin
Peak:m/z	Relative Intensity
53.03951	0.5
55.01870	0.7
55.05504	1.2
57.70017	0.6
59.04994	0.6
67.05495	0.7
69.03416	0.7
69.07056	1.7
69.63228	2.3
71.04995	1.3
79.05476	1.7
81.07043	1.8
83.64857	0.5
85.02898	1.1
85.06528	0.6
91.05481	1.0
93.07037	2.5
95.04977	1.1
95.08598	0.7
97.06509	1.0
97.10234	0.6
98.06043	0.7
101.95029	1.1
102.96877	3.1
103.05498	3.3
107.08569	1.7
109.10171	0.7
111.04433	0.8
114.05533	0.9
115.05441	2.1
116.05785	0.7
120.97921	2.8
121.06409	0.6
121.10136	1.7
121.80762	0.5
125.02403	1.0
125.05988	1.2
126.05554	0.8
127.05447	3.2
128.06241	5.7
129.07021	13.7
131.04918	1.2
138.98943	1.2
139.01799	0.6
139.07610	0.6
139.11220	1.0
142.07756	2.7
143.04900	1.6
143.08549	1.1
145.02853	0.6
145.06494	2.1
155.04959	8.4
155.06102	2.0
156.09473	0.6
157.06496	3.3
157.10153	3.8
158.08153	0.6
167.08495	1.4
167.10712	1.2
170.07234	1.7
176.22356	0.5
185.05983	100.0
185.09482	13.4
185.13287	1.9
186.06290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01870	0.7
55.05504	1.2
57.70017	0.6
59.04994	0.6
67.05495	0.7
69.03416	0.7
69.07056	1.7
69.63228	2.3
71.04995	1.3
79.05476	1.7
81.07043	1.8
83.64857	0.5
85.02898	1.1
85.06528	0.6
91.05481	1.0
93.07037	2.5
95.04977	1.1
95.08598	0.7
97.06509	1.0
97.10234	0.6
98.06043	0.7
101.95029	1.1
102.96877	3.1
103.05498	3.3
107.08569	1.7
109.10171	0.7
111.04433	0.8
114.05533	0.9
115.05441	2.1
116.05785	0.7
120.97921	2.8
121.06409	0.6
121.10136	1.7
121.80762	0.5
125.02403	1.0
125.05988	1.2
126.05554	0.8
127.05447	3.2
128.06241	5.7
129.07021	13.7
131.04918	1.2
138.98943	1.2
139.01799	0.6
139.07610	0.6
139.11220	1.0
142.07756	2.7
143.04900	1.6
143.08549	1.1
145.02853	0.6
145.06494	2.1
155.04959	8.4
155.06102	2.0
156.09473	0.6
157.06496	3.3
157.10153	3.8
158.08153	0.6
167.08495	1.4
167.10712	1.2
170.07234	1.7
176.22356	0.5
185.05983	100.0
185.09482	13.4
185.13287	1.9
186.06290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0599
Annotation	Dibenzo-p-dioxin
Peak:m/z	Relative Intensity
70.06613	0.6
71.52979	0.4
71.53359	0.6
83.04977	0.4
84.08140	0.5
95.04961	0.6
102.96896	0.5
103.05476	2.7
110.47448	0.4
115.05464	1.7
116.05795	0.7
120.97913	0.5
127.05429	2.4
128.06239	3.7
129.07027	7.4
131.04991	0.6
143.04897	0.9
145.06459	1.4
155.04922	6.6
155.06076	1.7
157.06502	1.3
183.36311	0.5
185.05997	100.0
186.06346	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.06
Annotation	Dibenzo-p-dioxin
Peak:m/z	Relative Intensity
53.03930	0.3
55.05498	0.3
69.07055	0.2
77.03932	0.3
79.05486	0.3
85.02908	0.3
85.50220	0.2
89.47145	0.2
93.07026	0.2
98.06045	0.2
101.95019	0.2
102.04667	0.5
102.96864	1.0
103.05479	2.8
111.08077	0.5
114.05531	0.3
115.05462	1.8
116.05799	0.4
117.90753	0.2
120.97903	1.1
126.05524	0.2
127.05443	3.3
128.06239	4.4
129.07013	7.2
131.04906	0.4
138.98947	0.4
140.07030	0.2
142.07733	0.3
143.04944	1.0
143.05838	0.2
143.08562	0.2
144.05266	0.5
144.06541	0.2
145.06488	1.7
155.04918	6.2
155.06073	2.3
157.06499	1.3
162.00465	0.2
167.07030	0.2
170.10878	0.4
185.05991	100.0
185.13188	0.8
186.06268	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0599
Annotation	Dibenzo-p-dioxin
Peak:m/z	Relative Intensity
53.03935	0.5
55.05489	0.8
60.95846	0.4
69.07079	2.3
69.49190	1.9
69.49597	0.6
77.03907	0.5
78.45923	0.3
81.06995	0.4
83.08621	0.5
84.08176	0.3
89.47157	0.3
90.36233	0.3
91.05449	0.3
93.07030	0.5
95.04958	0.5
95.08580	0.5
97.06557	0.4
101.95028	0.9
102.96887	2.0
103.05469	3.0
107.08611	0.5
111.11752	0.5
114.05534	0.5
115.05473	1.7
119.96046	0.4
120.97926	1.5
121.10201	0.4
126.05548	0.6
127.05460	3.4
128.06227	4.3
129.07010	8.2
138.98924	0.8
140.26060	0.3
141.07024	0.4
142.07782	1.3
143.04912	0.9
143.08578	0.5
144.06587	0.4
145.06433	1.7
153.12793	0.4
155.04918	7.0
155.06073	1.7
157.06491	1.3
157.10143	1.2
170.07315	1.5
185.05991	100.0
185.13275	1.2
186.06305	1.3
186.07756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.05492	0.4
58.33454	0.3
64.84149	0.3
67.05514	0.4
69.07056	0.6
69.48532	2.3
72.48933	0.4
75.66515	0.4
79.05487	0.5
81.07065	0.3
85.02918	0.6
89.53659	0.4
95.04955	0.4
102.04691	0.6
102.96844	0.4
103.05467	3.9
115.05451	1.8
116.05876	0.4
120.97906	0.5
124.18391	0.4
126.05511	0.7
127.05443	3.5
128.06230	4.9
129.07008	8.3
143.04945	0.6
145.06468	2.1
155.04910	6.9
155.06070	1.8
157.06479	1.2
182.71553	0.4
185.05988	100.0
186.06323	1.6
186.22162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
61.45625	0.2
69.97240	0.8
77.03938	0.4
79.05481	0.2
93.07069	0.2
93.10881	0.2
95.04991	0.4
101.95030	0.3
102.04704	0.3
102.96886	0.9
103.05479	3.2
111.08078	0.4
114.05513	0.2
115.05463	1.6
115.42342	0.2
116.05793	0.5
118.85879	0.2
120.97914	0.7
126.04697	0.3
126.05537	0.3
127.05447	3.3
128.06235	5.2
129.07019	8.0
131.04921	0.4
132.53682	0.2
134.17024	0.2
138.98941	0.6
143.04961	1.0
143.05984	0.2
143.08571	0.4
144.05363	0.2
145.06485	1.7
155.04924	7.3
155.06070	2.4
155.08473	0.2
157.06500	1.5
157.10155	0.4
183.95889	0.2
185.05997	100.0
186.06360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	3.0
58.26195	2.2
60.65658	2.3
69.16369	2.4
70.06599	100.0
71.15663	4.5
81.94723	2.5
85.63190	2.5
101.00875	11.4
102.00951	17.8
102.96898	3.3
104.10768	2.8
113.00921	5.0
116.07102	47.9
117.07424	2.8
119.01929	18.1
120.02032	36.5
121.01685	3.6
125.02576	3.0
127.94660	2.5
131.01903	3.5
138.03030	6.9
143.03606	9.3
145.03407	2.7
155.01903	2.7
156.05072	6.9
161.03014	4.1
162.03119	6.8
180.04102	6.4
185.03105	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	185.0599
Annotation	Dibenzo-p-dioxin
Peak:m/z	Relative Intensity
53.03945	0.5
55.01884	0.4
55.05498	0.3
61.50068	0.2
65.03929	0.4
69.07066	0.5
71.51814	0.3
71.52208	0.4
77.03953	0.4
85.02887	0.4
91.05509	0.4
95.04967	0.9
97.59973	0.3
101.95041	0.9
102.28930	0.2
102.96874	2.3
103.05475	3.2
107.08611	0.3
113.88512	0.2
114.05524	0.3
115.05470	1.9
116.05798	0.7
117.07043	0.3
119.96075	0.3
120.97906	1.2
126.05522	0.5
127.05444	3.5
128.06239	5.1
128.80005	0.3
129.07016	10.7
131.04900	0.4
138.98930	0.5
141.06998	1.0
142.07800	5.8
143.04913	1.7
144.05345	0.5
145.06503	2.1
155.04922	7.5
155.06068	2.3
155.08569	0.3
156.05730	0.4
157.06502	2.7
157.10144	2.2
167.08537	0.5
169.06454	0.5
170.07248	1.0
183.04323	0.3
183.08109	0.4
185.05997	100.0
185.09515	10.8
186.06306	1.2
188.86212	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
54.66354	0.5
55.05522	0.6
56.05031	0.8
58.06621	0.5
60.08168	14.4
69.26118	4.4
70.06596	0.7
71.07380	8.0
71.95314	0.5
72.08156	0.7
73.76532	0.5
78.56915	0.5
84.08108	0.6
86.09710	81.2
93.57369	0.6
98.98469	13.4
101.95039	22.0
104.10748	2.9
107.65901	0.5
114.05495	0.5
115.05458	3.2
119.96072	8.9
125.00011	62.5
128.06209	0.6
129.07040	0.7
137.97133	2.6
142.97667	1.3
143.04942	1.2
160.98726	3.1
184.07353	100.0
185.05981	4.1
185.07565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0735
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.05506	0.5
56.05033	1.3
58.06607	0.6
60.08170	15.3
61.74944	0.5
69.25610	2.1
69.26035	2.2
70.06594	1.0
71.07384	7.8
85.37168	0.5
86.09715	76.4
98.06079	0.5
98.69785	0.5
98.98475	12.0
101.95043	24.8
104.10751	3.3
115.05466	3.3
115.69894	0.5
119.96078	8.1
124.07602	0.6
125.00018	59.8
129.07037	0.8
137.97112	3.9
138.09157	1.1
142.97682	1.6
143.04916	1.7
155.04837	0.5
155.06087	0.5
155.98213	1.0
156.09113	0.6
160.98695	2.5
164.48149	0.5
166.08640	0.9
176.19193	0.5
178.99719	1.0
184.07359	100.0
184.09624	3.8
185.05977	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	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51951	0.4
52.94815	0.4
56.96560	0.5
57.03437	0.6
58.14392	0.5
70.06604	0.6
70.10824	1.5
72.72575	0.4
80.30698	0.4
82.99844	6.7
85.02920	0.9
86.09702	1.7
101.00890	53.0
101.99316	0.6
102.00967	1.0
102.96861	0.7
104.10764	1.0
114.78238	0.6
119.01930	100.0
120.02041	1.8
121.02330	0.5
124.02460	4.1
125.00018	1.2
133.03508	0.7
137.02170	0.4
137.02963	18.1
142.03506	26.6
143.01935	2.2
143.03763	1.3
160.04593	4.5
161.02977	14.8
161.04324	0.9
162.03130	0.7
179.04024	13.0
184.03645	0.5
184.07484	2.0
184.09628	0.9
189.17021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.84311	0.3
56.96300	0.4
56.96570	6.4
57.03439	2.0
58.99842	0.3
61.02926	1.2
69.03436	1.5
69.42584	2.3
70.06597	0.6
70.98135	1.4
71.05000	0.3
73.02922	1.9
81.03406	0.6
82.99841	6.2
83.00304	0.4
84.04501	0.7
84.08150	0.6
85.02911	2.0
89.00867	0.3
97.02900	1.7
97.99182	0.4
98.20782	0.6
98.97587	5.3
99.04462	0.4
99.51923	0.3
99.83955	0.3
100.02493	0.7
101.00890	56.8
101.95039	1.3
102.01002	0.9
102.02375	0.4
102.52461	0.4
102.96868	0.5
103.00645	0.6
103.02364	0.5
109.00496	0.3
109.02863	0.3
110.01319	0.4
110.97554	0.6
111.00439	0.5
112.99155	0.9
113.00919	0.5
115.00593	0.3
115.02434	1.0
116.98637	1.3
119.01931	100.0
119.96119	0.3
120.02018	1.8
121.02400	0.6
123.53041	0.3
124.02450	3.9
124.95541	0.9
125.00947	0.3
127.00651	0.4
127.03948	0.6
128.98578	0.5
130.08699	0.3
131.00180	0.9
131.01851	0.7
132.53645	0.3
133.01674	0.6
133.03482	0.6
135.03122	0.4
137.02966	15.2
139.02490	0.5
140.02344	0.7
142.03513	26.4
142.96500	0.6
143.00174	1.1
143.01913	3.4
143.03651	0.9
144.01994	0.4
145.01721	0.7
146.99670	0.4
149.01149	0.4
149.02881	0.5
155.02856	1.1
156.02016	0.7
157.01718	0.3
157.03468	1.6
158.06665	0.4
160.04564	5.4
160.97606	0.5
161.01384	0.9
161.02972	19.0
162.03123	0.3
163.02759	0.4
166.03522	0.4
168.99193	0.4
173.03023	0.4
174.03122	0.4
175.02736	0.4
175.04504	0.3
179.02409	0.5
179.04015	14.5
180.04010	0.3
184.04828	3.2
184.09685	0.6
185.02992	1.2
186.03102	0.3
187.00385	0.7
202.05672	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31156	0.2
58.99868	0.2
65.98415	0.1
66.06242	0.2
70.00302	0.1
70.15412	0.1
70.71796	0.3
70.72149	0.3
82.01417	0.2
82.99847	6.3
98.20784	0.2
99.89407	0.2
101.00889	54.4
101.95041	3.5
102.00951	0.9
102.60988	0.2
103.01287	0.2
111.00442	0.4
119.01929	100.0
119.96075	0.8
119.98833	0.2
120.02004	1.5
121.02366	0.3
123.49620	0.1
124.02464	4.8
125.02570	0.4
133.03468	0.3
137.02965	15.7
137.97089	0.2
138.03059	0.4
142.03510	27.9
143.01900	1.1
143.03636	1.2
144.03996	0.2
160.04564	3.9
161.02971	15.6
161.04564	0.6
162.03131	0.2
165.05110	0.5
179.04022	13.4
180.04257	0.2
184.04570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	2,6-Dimethoxy-benzoic acid
Peak:m/z	Relative Intensity
50.01604	0.2
53.03949	1.6
53.66966	0.2
55.01878	0.9
55.05521	0.4
57.03450	1.8
63.85830	0.2
64.06032	0.2
65.03952	1.0
65.62882	0.2
67.01877	0.4
67.05514	3.1
68.99795	11.5
69.03440	2.4
69.07081	0.6
71.52386	0.4
72.08192	0.2
77.03936	0.4
79.05498	5.4
81.03429	7.7
81.06585	0.5
81.07065	9.7
83.04968	0.2
85.02892	0.2
85.06579	0.3
91.05489	10.7
93.07060	0.5
94.04200	0.6
95.04979	8.9
95.08612	0.6
97.06551	1.5
98.98468	0.6
99.04472	1.2
105.03391	0.8
105.04518	0.3
107.04971	2.7
109.02902	0.7
109.06532	12.6
109.10163	1.0
111.04477	0.4
113.06024	0.8
119.04952	10.7
122.03652	0.3
123.04436	6.4
123.08052	0.6
125.06020	0.4
126.03111	0.3
127.03928	0.4
132.08040	0.2
135.04428	0.8
137.05992	65.3
138.06314	0.7
139.07613	0.3
140.04805	0.5
141.05478	16.7
147.04465	1.8
150.03143	3.6
151.03996	0.2
153.01839	0.5
153.05490	0.7
153.69881	0.2
154.08604	0.2
155.07098	0.4
155.08960	1.8
160.95168	0.2
163.03925	0.9
165.05489	100.0
166.05824	0.8
183.06546	95.3
184.06911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	3,4-Dihydroxyphenylpropanoate
Peak:m/z	Relative Intensity
53.03951	2.0
55.01876	0.7
57.03437	1.8
65.03952	1.1
67.05512	2.2
68.99797	10.0
69.03425	1.9
69.07069	0.5
70.64703	0.3
70.65039	0.7
77.03946	0.3
79.05502	5.4
79.05958	0.3
81.03425	7.1
81.06590	0.5
81.07063	8.2
88.57679	0.3
91.05490	9.7
94.04202	0.8
95.04978	7.8
95.08649	0.3
97.06550	0.8
99.04467	1.2
105.03419	0.8
105.50734	0.3
107.04976	2.3
109.02854	0.3
109.06525	12.3
109.07271	0.6
113.06000	0.4
119.04948	9.2
122.03609	0.3
123.04440	5.9
127.03931	0.7
135.04440	0.5
136.38734	0.3
137.05991	61.0
138.06319	0.4
141.05478	15.2
147.04456	1.2
150.03159	2.6
151.24591	0.3
153.01828	0.6
153.05508	1.0
155.08963	0.5
158.72424	0.3
163.03848	0.7
165.05490	100.0
166.05841	0.8
177.51169	0.3
183.06549	90.9
184.06737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	m-hydroxyphenylhydracrylic acid
Peak:m/z	Relative Intensity
52.61791	0.4
53.03955	1.6
55.01880	0.6
55.05502	0.4
57.03442	1.9
57.30029	0.4
65.03938	1.0
67.05505	2.7
68.99795	9.8
69.03437	2.0
69.07066	0.7
74.85152	0.4
77.03915	0.4
79.05499	5.0
81.03425	8.5
81.07066	10.0
85.74623	0.3
91.04914	0.5
91.05489	10.3
94.04211	0.7
94.51360	0.3
95.04975	8.6
95.08609	0.4
97.06531	1.6
98.21608	0.6
98.98489	0.7
99.04477	0.6
101.75665	0.3
101.94997	0.6
105.03387	0.5
105.04487	0.5
107.04961	2.4
109.06529	13.2
111.74133	0.3
119.04952	11.7
123.04440	7.3
123.08096	0.5
127.03950	0.8
135.04428	1.0
137.05989	62.2
138.06374	0.7
140.04753	0.8
141.04401	0.5
141.05476	8.2
147.04430	1.9
150.03154	3.0
153.01881	0.5
153.05496	0.5
155.07074	0.8
163.03935	0.6
165.05487	100.0
166.05830	1.0
166.23376	0.4
183.06546	94.6
184.06766	0.7
188.37596	0.4
197.64490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	3,4-Dihydroxyphenylpropanoate
Peak:m/z	Relative Intensity
53.03951	3.5
55.01861	1.1
55.05503	1.0
56.96565	0.7
57.03424	2.2
57.07030	0.8
65.03926	1.4
67.01833	0.9
67.05518	5.5
68.99798	8.7
69.03437	2.9
69.07076	1.3
70.06572	0.6
71.04974	2.2
72.08160	1.3
79.05500	5.3
81.03429	7.7
81.06656	0.7
81.07064	8.7
82.95087	0.5
85.06563	1.0
91.04993	0.6
91.05504	7.9
94.04174	0.7
95.04980	11.5
95.08606	1.7
97.06516	1.9
98.20737	1.2
98.98460	2.4
99.03870	0.6
99.04468	10.2
105.03423	3.2
105.07050	1.0
107.04983	3.3
107.08617	1.1
109.02903	1.7
109.06532	11.9
109.10175	1.6
113.06031	2.8
119.04945	7.2
119.08607	0.9
121.10223	0.8
123.04433	9.3
123.08076	1.8
123.11712	3.3
125.06001	1.1
127.07542	0.6
135.04356	0.8
137.05995	46.4
137.09618	1.6
140.04672	2.0
141.05481	45.5
147.04391	1.5
147.11745	1.0
150.03102	2.6
153.05400	0.8
155.07036	2.4
155.08958	0.9
165.05493	86.6
183.06555	100.0
183.09209	2.8
184.06889	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0649
Annotation	2,6-Dimethoxy-benzoic acid
Peak:m/z	Relative Intensity
53.03952	4.3
53.53203	0.7
55.01883	1.4
55.05511	1.2
57.03443	1.4
57.07085	1.1
65.03941	0.9
66.23973	0.6
67.01874	1.3
67.05505	3.1
68.99799	7.8
69.03414	2.2
69.07059	2.6
69.44268	4.5
71.01363	0.7
71.04996	2.5
72.08139	1.3
79.05502	6.3
81.03434	6.9
81.07065	8.5
83.08637	4.3
91.05491	6.5
92.21182	0.7
94.04192	1.1
95.04975	11.6
95.08598	2.8
97.06538	7.4
98.98489	1.2
99.04469	12.0
101.06011	2.4
105.03415	2.1
107.04961	3.0
107.08593	1.6
107.11649	0.6
109.02897	1.4
109.06531	11.0
109.10184	0.8
111.04455	0.7
113.06023	4.4
119.04939	4.9
119.08620	1.0
121.10142	1.4
123.04434	7.1
123.11677	2.1
124.05132	0.8
125.05995	0.7
137.05991	38.1
137.09587	0.9
137.13287	1.4
139.07516	1.0
141.05478	55.6
147.11662	0.8
150.03204	1.1
155.07013	0.9
155.08975	5.2
165.05492	82.0
165.12714	1.1
183.06552	100.0
183.13823	2.9
184.06909	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	Methyl orsellinate
Peak:m/z	Relative Intensity
53.03710	1.0
53.03946	8.3
55.01867	2.5
55.05509	2.0
57.03430	0.8
60.97000	0.7
65.03951	1.9
67.05514	20.9
69.03425	3.2
69.07085	1.4
69.94499	4.2
71.04980	2.4
77.03931	2.1
79.05505	32.4
81.03437	2.0
81.07066	13.5
83.05000	1.1
85.02927	0.9
85.06567	0.9
91.05512	1.2
93.07055	4.5
95.04977	22.0
95.08625	4.9
97.06544	1.5
98.98483	8.5
99.04468	1.6
100.97182	1.0
101.95033	2.2
105.03407	6.3
105.04525	3.0
105.07048	1.5
107.04966	57.3
107.08596	1.0
108.02089	2.1
109.02895	12.5
109.06525	1.8
109.10171	3.3
111.04422	1.5
111.08050	0.9
119.08570	2.4
121.10170	1.4
123.04446	15.4
123.08078	2.7
123.11725	29.7
124.05223	75.4
125.06041	3.8
127.01576	1.7
136.01593	1.4
137.05965	2.2
137.09619	2.5
139.07558	6.9
140.04672	4.9
141.05449	1.7
147.08055	1.3
147.11700	1.4
151.03920	100.0
151.04996	5.1
151.11223	2.5
152.04237	1.0
153.06950	1.3
155.04744	1.1
155.07112	3.6
155.08702	1.1
165.05444	1.7
165.09106	2.6
165.12752	0.9
183.02914	1.6
183.04469	1.9
183.06601	22.5
183.08066	2.6
183.09216	1.5
183.11705	1.2
183.13799	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	183.0654
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
53.03954	16.2
55.01883	3.4
55.05515	0.5
65.03938	3.8
67.05511	9.8
69.07064	1.1
69.12639	0.5
71.05006	2.0
71.52363	0.6
77.03941	3.7
79.05518	1.1
81.03430	1.9
81.07082	2.7
83.04987	0.8
83.08614	0.7
91.05478	0.9
93.03428	0.9
93.07088	1.3
95.04979	100.0
95.08603	2.6
97.02892	1.3
97.06551	1.4
98.98474	1.7
99.04464	2.1
99.08091	0.6
105.03399	2.0
105.04529	7.4
105.06990	0.8
107.08557	1.0
107.29028	0.5
109.10170	1.7
110.03667	0.9
111.04438	1.3
113.06026	0.6
119.08614	1.6
121.04012	0.8
123.04442	97.5
123.11692	1.5
124.04849	0.4
125.02366	4.1
125.05946	0.5
133.02876	0.7
137.06044	0.9
137.07980	3.1
137.09628	1.3
139.07561	1.7
140.04698	35.4
147.11662	0.5
155.07053	29.9
156.07356	0.6
165.05472	0.7
165.07455	2.9
165.09045	0.9
171.15129	0.5
183.06593	9.2
183.09114	2.5
183.11676	0.7
183.13741	1.3
184.07570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
51.02383	1.1
53.03951	16.3
55.01879	4.3
64.15972	0.4
65.03938	4.8
67.05178	0.7
67.05512	8.4
69.03408	0.5
70.64459	0.8
70.64758	0.8
73.66398	0.4
77.03938	3.6
81.03418	1.5
81.07053	0.6
84.05357	0.5
93.03507	0.5
95.04976	97.6
95.08638	0.8
96.05303	0.6
98.98483	1.4
101.95043	1.5
105.03386	1.4
105.04533	8.7
110.03694	0.7
111.04483	0.5
118.06569	0.5
121.04029	1.0
123.04439	100.0
124.04745	1.1
125.02361	5.3
137.05974	0.6
140.04694	37.3
155.07039	28.1
155.09044	0.9
167.99196	0.5
183.06551	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	182.1542
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
53.03952	0.6
54.97994	0.6
55.05517	5.1
56.01007	0.5
57.03432	0.6
57.07067	2.6
57.35338	0.5
58.02967	26.0
67.05510	14.6
69.07075	49.4
70.06573	1.7
70.13251	2.4
71.29333	0.6
74.06072	1.0
76.38783	0.5
79.05497	4.1
81.06594	0.8
81.07067	13.6
83.04977	1.8
83.07362	1.0
83.08636	5.9
84.08154	6.9
85.06536	0.6
86.06069	1.2
91.05504	4.0
93.07050	6.4
95.04975	1.1
95.08614	5.0
97.06546	2.0
98.06049	0.9
98.09689	2.5
98.97592	2.9
99.97911	0.6
100.07619	4.4
104.55095	0.5
105.07047	9.4
107.08604	12.7
109.06544	1.4
109.10169	35.7
112.07615	1.7
112.11216	0.5
113.96445	1.0
114.09182	13.5
116.98619	1.2
119.08582	1.0
121.10156	1.5
123.10930	0.9
123.11735	7.1
124.11304	0.7
126.09155	13.1
126.12782	1.5
128.10690	0.6
133.10144	25.8
135.11696	13.1
136.07590	0.9
137.13266	1.1
137.72682	0.6
138.12790	16.2
140.10687	0.9
147.11685	4.4
151.11198	10.2
152.28647	0.5
153.12755	11.2
154.08644	9.3
154.15907	0.8
162.48740	0.5
164.14362	1.8
165.12775	3.2
182.08176	1.7
182.15422	100.0
183.15767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04267	0.4
56.96577	0.8
68.05058	0.3
69.05816	0.9
69.20288	0.3
70.06606	0.9
71.36487	0.4
82.06600	1.0
83.07368	11.0
84.08159	1.2
95.04968	0.2
95.99816	0.3
96.08151	0.3
98.09687	0.3
98.97594	4.2
99.97944	1.2
100.44901	0.3
111.04447	0.5
111.06831	0.5
112.07615	1.7
116.98645	1.3
117.98978	0.8
122.06024	0.3
126.09170	15.5
134.99678	0.4
136.07565	0.9
137.06018	0.4
154.08647	100.0
155.09000	1.1
158.99689	0.6
182.08151	17.0
182.11748	1.3
183.10002	0.3
183.99480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
52.11980	0.8
53.03934	1.1
55.05508	2.0
57.07082	28.6
58.07391	0.8
59.04994	2.9
60.67978	0.7
64.70327	0.9
67.05488	1.7
69.03407	0.9
69.07052	3.8
71.13060	1.4
72.63913	0.9
75.97880	0.8
79.05505	6.5
81.03418	5.1
81.07067	4.6
83.04988	55.4
85.29252	0.8
88.92012	0.8
91.05499	2.0
93.07048	5.6
95.04978	16.2
97.06538	28.7
98.97583	0.9
105.07060	5.1
107.04939	2.4
107.08605	8.6
117.07001	1.9
119.08559	2.7
121.06525	1.2
121.10149	8.1
123.08043	1.4
125.06002	100.0
126.06348	1.2
130.07829	1.3
135.11694	4.8
145.10133	9.7
154.08640	3.3
163.11192	98.1
164.11603	1.4
181.06085	4.9
181.12242	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.06289	0.9
53.03937	2.4
55.01857	2.0
55.05526	4.9
56.96566	4.6
57.07081	30.3
59.04987	3.7
60.07089	0.9
65.03941	2.1
67.05502	2.4
69.03408	2.8
69.07062	5.1
69.37727	6.0
69.38133	1.6
71.04987	2.0
71.95236	1.7
79.05494	12.0
81.03432	6.6
81.07069	7.2
83.04987	59.4
83.08620	8.6
85.02878	1.7
85.06541	1.6
91.05482	4.4
93.07050	9.8
95.04972	18.4
95.08643	2.1
97.02897	2.3
97.06532	29.7
98.97588	74.7
99.04459	1.3
103.05458	1.5
105.07019	4.4
107.04951	3.6
107.08609	13.3
110.03631	0.9
116.98627	32.0
117.07015	2.4
119.08562	3.3
121.06503	5.0
121.10155	16.2
122.10510	1.1
123.08105	1.6
125.06000	100.0
130.07758	2.7
134.99686	8.2
135.04376	1.8
135.08154	1.2
135.11679	7.4
137.05989	1.3
140.00157	3.0
145.10124	11.2
149.02347	1.2
149.06024	1.5
154.08632	3.4
158.01294	2.6
163.03937	3.8
163.11188	96.9
164.11534	1.2
171.06526	1.5
181.04955	7.6
181.06361	1.3
181.08636	2.3
181.12239	41.2
182.12541	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63968	2.7
71.50471	3.7
79.02985	2.5
91.05519	19.1
95.04980	7.1
98.97606	6.9
99.97928	3.6
110.54580	2.6
116.98660	2.7
119.04936	21.1
123.04459	20.8
127.35309	2.8
136.07588	50.8
147.04408	8.5
151.07553	12.2
165.05470	14.8
182.05806	100.0
182.08153	6.5
182.11765	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	182.0813
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03947	0.8
55.01881	0.6
56.96563	3.7
57.03429	0.6
57.65387	0.5
61.02903	0.6
63.92941	0.6
69.03425	0.8
71.50455	0.8
78.95264	1.4
81.03423	0.9
84.08141	0.9
84.96022	0.6
85.02874	1.2
91.05485	29.9
95.04972	11.8
97.02889	2.0
98.97581	9.7
99.97933	3.1
101.00874	0.7
103.05455	1.0
107.04961	1.4
109.06496	0.7
114.25290	0.5
116.98617	3.8
117.98951	1.4
118.06551	1.3
119.01879	0.9
119.04948	38.8
119.97878	0.5
121.06504	1.3
123.04436	50.3
124.04718	0.5
127.03903	0.7
134.99687	0.7
136.07585	100.0
137.05981	0.7
137.07985	0.9
140.95325	0.7
147.03268	0.8
147.04404	18.4
158.99692	1.9
159.03276	0.8
159.06754	1.0
161.04480	0.9
161.05534	1.7
163.96852	1.1
164.05685	4.4
165.05482	36.9
170.05104	1.0
177.04480	0.4
177.06082	1.1
181.97939	0.5
182.06705	0.9
182.08083	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	181.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.05498	2.5
57.07083	27.0
59.04992	2.8
67.05495	1.9
69.03423	1.9
69.07095	4.0
71.52740	1.1
71.53115	1.0
75.75573	0.7
79.05501	9.9
79.74133	0.8
81.03426	7.4
81.07064	4.9
83.04990	61.4
83.07337	1.0
91.05473	2.9
91.67084	0.7
93.07034	6.1
95.04978	18.2
95.08637	1.2
97.06539	35.4
98.97590	6.6
99.05547	1.0
105.07041	3.7
106.05243	0.8
107.04945	2.5
107.08605	7.9
116.98628	3.1
117.06992	2.2
119.08571	2.7
121.06520	3.9
121.08440	0.9
121.10145	11.3
125.06007	99.1
126.09140	1.5
130.07777	1.7
134.99675	1.2
135.11707	6.3
145.10156	9.5
154.08643	12.7
160.84874	0.8
163.11200	100.0
164.11545	1.5
181.06131	2.3
181.10786	1.7
181.12245	40.4
182.08142	1.2
191.30663	0.7
195.72789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03926	0.9
55.01862	1.6
55.05492	2.5
57.07081	30.1
59.05006	4.5
61.79676	0.8
66.38854	0.8
67.05499	1.1
67.42783	0.9
69.03417	1.3
69.07076	5.3
69.15316	1.2
69.15717	7.8
73.44364	0.9
79.05500	10.8
81.03425	5.6
81.07063	4.4
83.04987	64.3
91.05469	2.5
93.07072	6.7
95.04381	1.1
95.04976	21.7
95.08559	0.9
95.88280	0.8
97.06540	35.2
98.97594	4.0
105.07047	4.2
107.04904	2.1
107.08603	8.1
111.50214	0.8
116.98653	2.0
117.07030	1.6
119.08546	2.4
121.06507	3.4
121.10159	11.4
125.06004	100.0
126.09167	1.9
130.07813	2.1
135.11694	4.3
145.10141	10.5
154.08669	6.8
163.11189	98.9
164.11574	1.3
181.06123	1.3
181.12233	38.1
200.05492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03937	1.7
55.05493	2.2
56.96550	5.1
57.03440	1.2
57.07081	31.4
59.04994	4.7
67.05508	1.6
69.03407	1.3
69.07060	4.4
70.69076	3.2
71.04984	1.3
71.95261	2.9
79.05499	5.8
81.03413	7.1
81.07048	5.9
83.04986	54.5
90.96966	1.1
91.05492	3.2
93.07059	6.3
95.04975	18.4
97.06537	30.3
98.97590	71.5
105.07027	4.8
107.04971	2.2
107.08606	10.5
109.43126	1.2
116.98627	39.8
117.06981	2.0
119.08598	3.5
121.06502	4.1
121.10155	10.6
125.06001	99.1
126.09181	1.7
130.07761	1.9
134.99675	16.6
135.06870	1.3
135.08113	1.3
135.11688	4.5
140.00208	12.2
145.10120	10.6
154.08641	8.9
158.01292	6.3
163.05151	1.7
163.11192	100.0
164.11545	1.4
181.06168	6.7
181.10548	2.3
181.12239	40.4
182.08058	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	181.0861
Annotation	80638-48-8
Peak:m/z	Relative Intensity
53.03934	1.5
55.05513	2.3
56.96558	5.8
57.07064	1.7
57.94537	1.4
63.30616	1.4
64.39231	1.3
67.05508	3.2
68.04981	1.3
79.05472	4.7
83.04982	6.0
91.05497	20.9
91.22765	1.5
92.06255	8.3
93.07055	14.2
95.04977	5.9
95.08607	2.0
97.06528	2.9
98.97594	65.3
105.03392	2.5
105.07052	2.1
107.04951	2.6
107.08624	1.8
108.05748	6.2
109.06522	2.3
113.03276	1.3
116.98636	48.7
119.04929	2.9
120.05768	9.1
121.06522	23.3
121.10135	2.5
123.04414	3.2
123.08105	2.2
125.06024	6.9
134.99669	26.3
135.05531	2.2
135.08095	1.7
136.05229	8.8
137.05962	5.1
138.06764	8.2
140.00221	11.2
148.05205	2.7
151.03967	2.1
151.07536	7.8
153.00714	2.2
154.08665	7.8
158.01289	10.9
163.03883	2.7
163.05136	2.9
163.11176	7.4
165.05479	3.6
165.50287	1.5
166.06282	10.5
181.06236	16.4
181.08606	100.0
181.12134	3.0
182.08958	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03963	0.5
55.01880	0.8
55.05516	1.1
56.83312	0.6
56.96555	1.3
57.07073	1.1
57.38756	0.5
59.05003	2.9
67.05501	1.1
69.03436	0.7
69.07058	2.0
69.51350	0.5
70.58046	1.0
70.58361	0.8
71.95249	0.8
79.05504	5.3
80.24140	0.5
81.07066	5.7
83.04988	1.0
83.08611	1.0
91.05480	1.9
93.06489	0.8
93.07056	13.4
95.05002	0.7
95.08617	12.2
97.06521	1.4
98.97595	23.3
105.07040	2.0
107.04970	0.9
107.08604	25.1
109.10161	1.3
111.08080	0.7
111.10108	0.5
111.78194	0.5
116.98623	8.2
119.08619	3.0
120.13342	0.5
121.06504	3.4
121.10154	13.1
123.08113	2.9
124.74739	0.5
125.06009	3.9
130.07785	0.6
134.99680	1.9
135.11710	29.9
137.13251	0.9
139.07555	7.4
140.00201	1.1
145.10139	8.6
153.12772	1.9
154.08655	0.7
158.01228	0.8
163.11194	24.3
164.11635	0.7
170.88118	0.6
181.12251	100.0
182.12573	1.3
203.62958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.02383	0.3
53.03949	1.2
55.01870	0.5
55.05503	0.5
56.96568	3.2
57.03430	0.4
57.07091	1.9
58.11550	0.3
58.72044	0.3
63.02392	0.4
65.03937	1.5
67.05505	1.1
69.03423	0.5
69.07078	0.4
70.75814	0.5
71.04984	0.4
71.95270	1.1
72.08140	0.7
73.52098	0.3
79.05500	4.1
81.03419	0.7
81.07062	1.3
82.04174	0.5
83.04990	4.0
84.08170	0.5
85.02911	1.1
86.06091	0.3
89.03923	12.4
91.05486	3.1
92.07925	0.3
93.03415	0.9
93.07055	2.8
95.04975	2.4
95.08602	0.6
97.06535	2.9
98.97591	42.3
103.05474	0.6
105.04552	0.3
105.07040	0.8
107.04970	5.4
107.08594	2.0
109.06545	0.6
110.03646	0.4
111.04444	1.0
113.07938	0.4
116.98630	24.3
117.03391	15.5
117.04008	0.4
117.04237	0.6
117.07038	0.5
119.04943	1.1
119.08591	0.8
120.08094	1.5
121.02863	0.8
121.06547	2.2
121.08437	4.8
121.10135	3.3
122.03576	0.3
122.06069	0.5
123.08044	0.5
125.06003	5.7
134.98642	0.6
134.99669	9.8
135.04427	30.8
135.08041	1.2
135.11691	1.3
136.07579	0.6
137.05974	1.8
138.03035	0.3
139.03923	1.2
140.00197	1.9
142.02618	0.5
145.02859	19.6
145.10127	0.9
149.06009	1.0
151.07501	0.4
153.00723	0.6
153.05569	0.6
153.07286	0.3
153.09082	0.5
154.08575	0.7
158.01286	2.4
163.03915	100.0
163.11168	6.3
164.04214	0.8
173.16687	0.3
181.04985	7.2
181.06407	0.5
181.08525	1.4
181.10066	0.3
181.10719	0.5
181.12212	2.9
186.05605	0.4
199.36409	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03944	1.9
55.01878	1.0
56.96564	0.9
57.71649	0.3
63.02374	0.4
65.03938	2.5
67.01865	5.1
67.05502	1.2
68.99808	0.7
69.03432	0.7
69.07096	0.3
70.80962	0.3
70.81303	0.7
77.03931	0.3
79.05503	3.4
82.04195	1.0
83.04975	0.7
85.02903	0.8
86.30222	0.3
89.03919	9.1
91.05483	3.1
93.03407	1.2
93.07045	2.8
95.04954	2.1
96.36786	0.3
97.06551	0.7
98.97587	12.7
99.00810	0.5
103.05473	1.5
107.04950	4.5
107.08620	0.6
108.02115	0.6
110.03671	0.8
111.04441	1.1
116.98617	5.9
117.03384	12.1
117.07021	0.7
119.04917	0.8
121.02883	2.8
121.06522	3.0
121.10146	1.3
125.05988	1.2
134.99680	1.4
135.04422	23.7
135.07970	0.4
135.11647	0.4
137.05957	0.5
138.03152	0.5
139.03903	4.4
141.01776	0.3
142.02623	0.6
145.02850	14.7
145.10118	1.3
149.05981	1.1
153.05463	0.5
163.03905	100.0
163.11163	1.1
164.04234	0.8
166.06255	1.1
171.06520	0.5
181.04959	24.5
181.08556	5.9
181.12141	1.4
182.05376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82129	0.2
53.03956	0.8
55.01874	0.3
56.96568	1.2
57.79792	0.2
58.52891	0.2
60.04532	0.4
60.08167	14.7
60.23149	0.2
65.03936	0.3
66.58331	0.2
68.05031	2.2
69.03426	0.7
70.06604	0.6
71.50798	0.2
71.95265	0.3
72.04519	0.6
72.13557	0.2
74.02444	0.7
74.06100	0.2
77.03957	0.3
80.05020	3.3
81.03416	0.2
84.08129	0.6
85.02908	0.5
86.06056	0.3
86.09712	0.3
90.81760	0.2
91.05482	3.8
93.07046	7.4
95.04982	0.6
97.02887	0.4
98.06036	1.1
98.97589	12.3
99.04455	0.5
103.05473	5.0
105.04527	0.5
105.07050	0.4
109.06522	0.2
114.05534	0.7
116.07113	0.9
116.98629	5.7
117.05512	0.5
117.07005	0.4
117.55995	0.2
118.05027	0.9
119.04937	0.6
120.08092	1.3
121.06511	100.0
122.06859	0.7
126.05520	2.2
127.03918	0.4
131.04941	1.0
131.45204	0.2
131.51662	0.2
133.05138	0.3
134.08125	1.8
134.99687	1.6
135.08070	2.0
137.05983	0.8
140.00214	0.6
144.06552	0.9
145.06493	0.9
148.03795	0.3
148.07584	0.7
151.07555	5.4
151.08806	0.3
159.38980	0.2
162.07657	0.7
162.09021	0.3
163.07530	3.4
165.07872	1.5
165.09077	0.4
180.08676	2.0
180.10213	10.9
180.13835	31.8
181.10811	0.2
181.14165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03954	0.8
55.01873	0.8
55.05522	0.5
56.96576	0.9
57.03453	0.4
61.18763	0.3
65.03949	2.5
67.05524	1.4
69.03425	0.7
69.07088	0.5
70.82852	0.7
71.95272	0.6
79.05507	4.2
81.03437	0.4
81.07060	0.9
82.04205	0.5
83.05000	0.7
85.02912	1.6
89.03928	13.7
91.05498	3.1
93.03407	1.0
93.07035	2.6
95.04986	1.7
95.08656	0.3
96.18929	0.3
97.02912	0.6
97.06545	0.7
98.97601	19.4
99.04522	0.5
102.79416	0.3
105.07064	0.5
107.04974	5.6
107.08617	2.7
107.99920	0.3
108.02087	0.4
109.06521	0.7
110.03684	1.1
111.04492	1.8
113.51875	0.3
115.05485	0.3
116.98635	9.6
117.03395	18.2
117.07032	0.7
119.04962	0.7
119.08619	0.4
121.06498	1.5
121.10155	2.5
123.00857	0.3
123.04469	0.4
125.05974	1.4
128.89742	0.3
134.99695	2.6
135.04434	30.9
135.08058	3.6
135.11723	0.9
136.04828	0.3
137.05994	1.2
138.03133	0.6
139.03926	1.1
140.00191	0.9
142.02699	0.6
145.02864	22.4
145.10147	0.4
149.06004	1.1
153.05457	0.8
153.09088	0.7
158.01300	0.8
163.03923	100.0
163.11206	1.3
164.04257	1.1
171.06619	0.7
181.04976	10.4
181.06342	0.4
181.08604	1.2
181.12210	0.6
186.05475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1385
Annotation	Mexiletine
Peak:m/z	Relative Intensity
53.03942	0.8
54.06570	0.3
54.91140	0.3
55.01855	0.3
56.96566	1.0
60.08169	14.3
61.48006	0.3
64.98292	0.3
70.92706	0.3
70.93033	0.5
77.03929	0.4
91.05483	2.6
93.07056	8.5
95.04964	0.7
98.97594	9.2
103.05480	4.6
105.04542	0.3
116.98635	2.4
121.06514	100.0
122.06846	0.9
132.00746	0.6
134.99672	0.7
139.01418	0.3
148.02126	0.4
148.65883	0.3
180.13849	32.7
181.14282	0.4
199.66592	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1434
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02765	0.8
53.03934	3.1
55.01868	3.1
55.05514	6.3
55.78775	0.9
57.03444	6.9
57.07077	1.2
65.03938	1.4
67.05511	28.7
69.03420	3.3
69.07071	8.4
70.87680	1.9
71.05001	4.4
74.87859	0.9
75.06497	0.8
79.05506	21.2
81.03407	1.1
81.07067	73.6
83.04977	5.6
83.08620	3.2
85.06554	6.0
91.05496	27.9
93.07056	35.9
95.04965	4.1
95.08618	66.4
97.06549	13.1
99.08104	7.6
105.07041	46.0
106.07332	1.1
107.08613	17.1
109.06525	4.6
109.10165	5.9
111.08112	4.7
117.07028	2.5
119.04945	5.7
119.08598	51.5
121.10155	16.5
123.04376	1.0
123.08083	8.5
123.11706	1.1
131.08536	1.4
133.06494	1.7
133.10150	45.1
133.75453	0.9
135.11713	29.0
137.09607	3.7
137.13301	2.2
147.04416	8.6
148.22356	1.0
151.11226	2.2
161.06010	2.5
161.13278	87.4
162.13649	1.7
178.66389	0.9
179.03450	4.4
179.06947	3.3
179.10788	2.5
179.14333	100.0
180.10196	1.0
180.14711	1.1
181.95816	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03944	2.9
53.25749	1.3
53.44265	1.4
55.01869	5.2
55.03978	1.3
55.05276	1.9
55.05519	24.3
57.03454	9.3
57.07071	3.7
59.04991	2.2
67.05514	50.2
69.03438	8.8
69.06733	2.3
69.07079	35.2
70.44862	4.7
71.04990	11.3
79.05504	23.8
81.03424	4.9
81.06590	2.9
81.07069	52.7
83.05002	8.2
83.08617	5.1
85.06541	3.6
91.05491	17.8
93.07053	22.1
95.04993	14.2
95.08620	100.0
97.06540	4.1
105.07053	23.7
107.08607	29.2
109.06539	13.6
109.10163	31.9
110.49490	1.6
111.08085	5.8
112.07612	4.6
114.12177	1.6
117.07039	3.5
119.04943	3.7
119.08592	25.5
120.08093	1.5
121.10181	9.9
123.08083	28.3
123.11706	4.7
133.10150	12.3
135.11708	7.4
136.05228	1.7
137.09624	19.2
137.13229	4.6
147.04373	4.3
149.02365	1.6
151.11137	1.7
151.14822	10.2
161.05989	2.8
161.13278	24.2
162.09193	9.5
179.03349	11.5
179.06650	8.8
179.08510	3.2
179.10652	3.9
179.14328	58.4
180.10211	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	179.0704
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
51.47656	0.6
52.42264	0.7
53.03900	0.7
55.01869	4.9
55.05475	1.0
56.96534	1.4
65.03909	0.8
67.05466	3.2
69.03397	0.9
69.07056	0.9
71.52718	0.7
72.08127	2.0
77.03936	1.1
79.05495	6.2
81.07063	4.3
91.05487	11.7
93.07015	2.0
93.72628	0.6
95.04972	4.3
95.08613	5.3
100.54130	0.7
103.05443	2.7
105.03396	1.0
105.07034	34.8
107.04969	1.3
107.08606	2.2
109.06512	1.7
109.10158	2.1
109.28077	0.7
112.07608	1.5
115.05478	2.2
119.04952	12.6
119.08585	3.2
120.08131	0.8
121.06487	1.1
121.10179	1.6
123.04436	100.0
123.08087	2.7
123.11744	1.0
124.04804	1.2
131.45775	0.6
133.02902	1.7
133.06503	26.5
133.10132	9.3
135.04462	0.9
135.11696	0.9
136.05237	1.9
137.02348	0.9
137.06000	1.9
137.09654	1.2
138.09158	1.1
143.04950	1.4
146.03653	0.8
147.04422	26.7
150.03052	0.7
151.04012	1.2
151.07552	55.2
151.11208	1.4
161.05992	49.6
161.13327	2.4
162.09210	3.1
164.04033	1.1
179.03458	9.8
179.07095	54.9
179.10757	4.5
179.14302	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	178.1229
Annotation	N-Pivaloylaniline
Peak:m/z	Relative Intensity
71.32109	0.5
105.07026	0.5
106.06594	0.4
107.08611	0.5
117.07029	0.9
118.06548	6.4
119.07336	6.8
132.01213	0.8
132.08099	0.7
134.09662	47.3
135.09944	0.3
160.11235	0.6
160.96432	0.3
162.09157	2.1
163.09865	0.6
178.12282	100.0
179.12604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
55.01877	29.7
58.93968	0.6
61.81659	0.6
65.03934	2.5
65.18348	0.6
65.47046	0.8
67.05489	0.7
70.46800	1.8
73.02895	0.7
79.05485	2.9
80.06249	0.9
81.07049	1.2
91.05489	34.9
94.04168	0.8
95.04972	2.9
95.08604	1.3
103.05476	3.2
105.06400	1.3
105.07046	17.4
107.04954	1.3
109.06493	1.0
115.05450	3.9
118.04170	6.3
119.04951	53.1
119.08620	0.9
121.06441	0.7
122.03719	0.7
123.04445	4.0
123.08086	0.7
131.04942	1.7
133.06503	23.4
133.10147	1.4
134.05969	0.8
135.04440	2.0
136.05206	7.7
137.05986	1.8
143.06081	1.5
145.17799	0.7
146.03638	12.1
147.04424	100.0
150.06747	0.8
151.07552	1.2
161.05995	59.0
161.13286	1.1
162.09166	1.2
164.04640	1.9
164.74789	0.6
179.03520	1.9
179.07060	56.5
179.14365	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	178.0864
Annotation	Tuberine
Peak:m/z	Relative Intensity
50.53661	0.8
51.02379	0.9
53.03948	7.4
55.01870	4.2
55.05512	1.1
55.17142	0.8
56.05027	0.8
57.92023	0.8
63.02373	2.7
65.03934	3.6
66.04718	1.2
67.05490	3.1
69.86006	3.6
70.02942	3.5
77.03923	2.1
79.05502	35.7
80.04990	1.0
81.03426	1.6
81.07060	14.0
83.04999	1.1
86.00645	0.9
88.02229	7.2
89.03926	98.2
90.03422	1.1
91.05496	16.2
91.30572	1.0
92.06260	1.5
93.07011	2.6
95.04985	7.3
95.08611	4.5
98.80055	0.9
103.05496	8.4
104.04951	1.6
105.04512	2.6
105.07040	100.0
106.06554	2.7
107.04305	1.6
107.04968	21.3
107.07344	1.0
107.56253	0.8
108.08121	1.2
109.06522	8.9
111.04419	1.4
112.86607	1.2
115.05461	10.2
116.04218	1.4
116.04994	25.6
117.05775	21.1
117.06603	1.3
117.07008	2.2
118.04214	1.1
118.06526	3.8
118.07290	0.9
119.04935	2.2
120.05716	5.3
120.49786	0.8
121.06477	2.6
122.03640	1.1
122.52456	0.9
130.06529	2.4
132.08099	7.0
133.06503	75.4
134.05980	2.9
134.07205	1.4
136.07549	1.2
142.06526	1.2
144.08147	0.9
145.06487	1.9
146.03568	1.1
146.06058	1.1
146.07224	1.7
150.05482	1.0
150.09123	2.2
155.01910	1.8
160.07599	3.0
161.08372	4.5
162.06648	18.6
171.01341	4.7
178.03653	1.1
178.05057	2.8
178.08626	34.3
178.10098	1.7
178.12207	1.8
178.15961	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1641
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.64083	1.0
51.80833	0.9
55.05523	9.0
57.07072	1.4
61.84094	0.9
67.05524	5.2
68.04880	0.9
69.06735	1.8
69.07077	24.8
69.37160	8.2
70.19991	1.0
79.05504	12.4
81.07068	14.1
82.03090	1.1
83.08217	1.2
83.08633	13.3
89.03925	6.1
91.05492	8.1
93.07054	27.9
95.08617	34.2
97.10178	1.8
98.20805	2.1
105.07034	8.5
106.04153	1.6
107.08607	64.3
109.06549	2.0
109.10175	12.0
117.03401	10.8
117.06993	3.0
119.08589	3.5
121.06521	2.4
121.10158	100.0
130.73473	1.1
131.08609	2.1
133.10103	1.3
134.03590	1.6
135.04459	1.3
135.11697	16.1
145.02870	17.5
145.06479	2.8
149.02303	1.1
149.05956	5.6
149.13277	6.4
162.03163	1.1
176.71037	1.0
177.05490	8.9
177.09135	4.6
177.12810	2.6
177.16411	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85595	0.7
53.03957	5.7
55.01866	3.7
58.02960	1.3
63.02358	2.5
65.03939	4.1
67.05498	3.1
70.02946	2.9
73.13580	0.7
77.03910	0.8
78.04704	0.8
79.05502	30.0
80.05025	1.1
80.66027	0.7
81.03430	1.8
81.07069	13.1
83.04993	1.0
87.91528	1.0
88.02246	4.8
89.03928	100.0
90.03458	1.5
90.04218	0.9
90.04702	1.5
91.05491	15.0
93.07034	1.6
94.06634	0.8
95.04990	7.6
95.08601	3.7
96.04486	1.3
103.05486	7.8
105.04520	3.4
105.07043	90.5
106.06548	2.3
106.07256	0.9
107.04972	19.7
108.04541	0.8
109.06524	8.0
111.04414	1.3
115.05479	8.6
116.04219	1.7
116.04996	24.3
116.89993	0.8
117.05779	20.0
117.07021	2.1
118.06528	3.3
119.04941	3.0
120.05727	5.7
121.06493	1.0
122.09709	1.0
130.06532	2.6
132.01183	1.9
132.04471	1.2
132.08136	4.9
133.06505	66.2
134.06010	2.9
134.07233	1.3
136.07573	1.4
142.06500	1.5
145.06474	1.5
146.06029	1.1
146.07204	0.9
150.09177	2.1
153.00392	1.2
155.01910	1.3
157.05637	1.0
160.07600	3.3
161.08339	3.4
162.06642	17.9
171.01430	3.9
178.05025	2.6
178.07054	1.3
178.08640	30.8
178.12076	1.5
178.15941	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.02398	0.9
52.40896	0.8
53.03939	1.6
55.05516	9.7
57.07078	2.1
63.02359	1.2
65.03937	1.3
65.06113	1.8
65.64741	0.9
67.05508	6.2
69.07076	14.5
69.63516	2.2
69.63927	2.7
70.06584	3.4
72.08154	3.3
78.04707	2.2
79.05501	12.0
81.07059	19.3
83.08621	13.4
87.08002	1.8
89.03924	32.5
91.05483	9.5
93.06487	1.5
93.07053	29.5
94.06415	1.1
95.04969	1.7
95.08614	34.4
97.10159	2.7
98.09689	1.4
98.21453	1.7
98.97594	2.4
98.98450	3.7
103.05487	2.5
105.04556	1.0
105.07051	4.7
106.04176	3.4
107.04935	1.5
107.07101	1.3
107.08604	35.9
108.08120	1.4
109.10165	14.2
114.10270	1.1
117.03391	67.7
117.07037	2.8
118.03722	0.9
119.07091	1.0
119.08591	3.0
120.05641	0.9
121.06508	2.7
121.10156	46.8
122.09672	1.2
124.05167	0.9
124.13638	0.8
127.08685	2.2
131.04956	2.1
131.08592	2.0
133.08662	1.3
133.10097	1.9
134.03636	7.2
134.09480	2.0
135.04395	3.5
135.11703	15.6
138.12799	1.2
145.02858	100.0
149.02306	1.9
149.05988	23.7
149.13226	4.4
150.12766	1.9
155.11806	12.8
155.61873	1.1
159.11748	2.1
162.03114	1.9
163.03880	2.7
177.05472	40.3
177.09131	3.6
177.12828	4.1
177.16397	52.6
178.16823	1.0
186.05504	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	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
55.05520	10.3
57.07061	2.2
57.78121	0.7
63.02375	1.0
67.05499	5.5
69.07076	23.6
69.45466	3.5
69.45893	2.3
76.10756	0.7
79.05502	13.0
81.07069	16.6
83.08632	15.9
86.29331	0.7
89.03925	16.2
91.05499	8.5
91.92415	0.8
93.07053	32.2
95.04949	1.3
95.08617	42.8
96.01669	1.0
97.10178	3.3
98.98479	1.1
103.05503	1.5
105.07027	8.9
106.04202	1.4
107.04959	0.9
107.08606	71.4
109.06536	1.0
109.10171	13.2
117.03394	27.1
117.07019	0.8
119.08578	3.1
121.06522	1.6
121.10157	100.0
131.04875	1.0
131.08589	1.1
133.10213	1.6
134.03648	2.7
135.04437	1.6
135.11708	18.1
145.02864	40.8
149.06006	14.3
149.13289	6.0
162.03130	1.7
163.03949	1.3
177.05490	19.0
177.09151	1.4
177.12798	2.8
177.16405	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01873	5.0
55.05519	6.5
57.03436	1.3
65.03938	1.6
67.05510	21.8
69.03414	1.9
69.07074	8.4
71.52670	1.2
72.08136	1.8
74.27696	0.7
77.03944	1.0
79.05499	29.4
81.03424	4.9
81.06590	1.7
81.07066	33.8
83.04984	3.9
83.08633	3.9
86.00648	0.8
89.03922	7.4
91.05489	35.1
93.07052	49.7
94.90022	0.9
95.04968	7.9
95.08615	9.5
97.06531	7.5
98.98474	9.8
100.22655	0.8
101.62743	0.8
103.05473	2.4
105.04506	1.8
105.07039	19.0
106.04151	2.2
107.04958	4.9
107.08606	21.4
109.06516	6.0
109.10156	1.4
111.08070	2.1
115.05447	2.6
117.03398	11.4
117.06236	1.6
117.07022	22.4
119.08584	6.1
120.08124	0.9
121.06506	7.1
121.10149	12.2
123.08167	1.0
129.06985	3.1
130.07774	1.4
131.04906	1.7
131.08572	27.0
133.10136	30.7
134.03668	2.2
134.10443	0.8
135.04417	1.7
135.08066	7.7
135.11684	9.6
144.09352	2.4
145.02850	18.2
146.07260	1.3
148.96440	0.8
149.02376	4.8
149.06010	8.9
149.09647	2.8
149.13269	18.4
153.93698	1.2
157.10182	1.2
159.08066	2.4
159.11700	44.9
162.03151	1.2
177.05453	14.3
177.06676	1.5
177.09235	5.3
177.12759	100.0
177.16144	4.2
178.08682	1.1
186.05539	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02366	1.3
53.03954	5.8
55.01861	4.4
55.05515	31.9
57.03435	7.5
57.07079	5.4
59.04992	1.1
65.03934	3.3
65.52563	0.8
67.05181	1.9
67.05513	23.8
69.03441	6.9
69.07075	41.7
71.05008	12.6
71.38322	1.7
77.03934	2.5
78.04702	1.0
79.05500	66.3
81.03426	2.1
81.07063	54.7
83.04969	3.2
83.08627	9.1
85.06572	1.4
89.03912	5.0
91.05492	52.4
93.03414	1.1
93.07052	100.0
95.04993	9.0
95.08614	19.1
97.06528	4.2
98.98467	4.2
103.05476	2.8
104.06234	1.1
105.04530	2.5
105.07045	34.6
106.04146	2.0
107.04971	13.1
107.08607	60.0
109.06519	13.7
109.10148	1.9
115.05440	5.2
116.06237	2.0
117.03383	9.3
117.07027	30.0
118.38813	0.9
119.06081	2.6
119.08590	18.8
121.06517	22.6
121.10152	16.2
122.07302	2.7
123.08084	1.2
129.07004	7.1
130.07793	6.3
131.04903	1.1
131.08588	32.4
133.06485	2.1
133.10156	9.6
134.03590	1.2
135.08072	12.7
135.11702	8.7
144.09341	11.2
145.02827	13.2
147.11642	2.4
149.02354	2.6
149.05984	3.8
149.09601	2.2
149.13272	15.6
157.10127	1.8
159.08102	1.5
159.11707	24.7
177.05473	8.0
177.09134	3.4
177.12764	39.5
177.16495	1.0
187.84572	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01878	4.7
55.05512	4.4
57.03427	2.4
58.18868	0.9
61.36143	0.8
63.77143	1.0
63.86979	0.8
65.03934	1.0
67.05181	1.4
67.05511	20.2
69.07070	6.6
71.01360	2.3
71.52242	0.8
71.52644	1.1
72.08153	1.6
72.71818	0.8
72.84966	0.9
76.82430	0.9
78.04744	1.4
79.05499	27.7
81.03426	4.4
81.07062	33.4
83.04980	3.6
83.08607	3.5
85.06532	1.3
88.02210	1.8
89.03924	10.0
91.05488	33.8
93.07051	47.9
95.04980	8.4
95.08618	9.4
97.06538	6.8
98.98461	8.8
99.08133	1.2
103.05467	3.4
105.07042	19.2
106.04166	4.2
107.04948	4.2
107.08610	21.0
109.06536	5.0
111.08067	2.3
115.05452	1.7
117.02534	1.0
117.03386	20.3
117.07024	21.9
119.08601	5.0
121.02823	1.0
121.06507	6.9
121.10152	12.9
123.08103	0.8
124.05144	0.9
129.07051	1.5
129.47084	0.9
131.04944	2.7
131.08580	28.4
133.10143	36.1
134.03651	3.0
135.04456	2.0
135.08067	8.9
135.11699	13.0
144.09351	1.8
145.02863	27.4
149.02332	4.2
149.06009	11.3
149.09642	5.5
149.13287	16.0
159.04462	1.4
159.08040	1.9
159.11713	48.0
162.03127	1.1
163.03790	1.5
172.36568	0.8
177.05466	18.1
177.09244	6.9
177.12759	100.0
177.16371	2.9
178.08568	1.5
178.12996	1.0
183.21283	1.0
186.05550	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	177.0913
Annotation	Lachnophyllum ester
Peak:m/z	Relative Intensity
55.05516	0.6
67.05518	0.7
69.07057	0.5
69.38496	1.6
69.38922	2.3
79.05506	1.5
81.07072	1.4
82.78153	0.6
83.08625	0.5
89.03934	1.6
91.05487	5.0
93.07049	2.1
93.94686	0.4
94.96613	0.5
95.08618	1.5
98.98479	4.8
103.05458	1.1
105.07027	1.1
107.08606	2.7
109.10190	0.6
114.26579	0.5
115.05466	10.7
117.03410	1.7
117.07029	60.8
118.07381	0.6
120.55843	0.5
121.06540	1.5
121.10157	1.8
131.04926	1.1
131.08580	1.2
133.10129	0.9
135.04424	0.5
135.11711	0.7
145.02853	3.3
145.06499	100.0
146.07170	1.7
149.02348	2.4
149.05992	1.8
153.93684	0.7
155.06021	1.5
159.11725	1.0
162.03134	0.7
162.05670	1.1
162.06903	0.7
177.05627	5.2
177.09128	97.5
177.16399	1.5
178.09604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03936	0.7
63.02375	0.9
69.80708	2.3
77.03909	0.5
78.04723	1.9
79.05491	0.9
85.79451	0.4
88.02211	0.5
89.03925	35.7
89.06039	0.5
91.05475	2.6
93.07043	1.1
95.08599	0.6
98.98448	2.1
103.05489	1.9
105.03388	0.6
105.07045	0.6
106.04177	3.1
107.08616	1.3
117.03391	68.6
119.04958	0.6
121.06519	1.6
121.10157	1.0
124.05192	1.0
131.04863	0.5
134.03639	7.0
135.04430	5.9
145.02858	100.0
146.03214	1.4
149.02400	1.0
149.05997	24.1
158.06041	3.7
160.07657	0.7
162.03148	1.2
163.03905	2.0
176.37500	0.5
177.05473	38.8
177.12721	0.9
177.16422	0.7
186.05534	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	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.89545	0.4
55.05510	0.8
56.51917	0.4
63.02390	1.3
69.07076	1.4
71.43371	0.7
71.43697	0.5
77.03921	0.6
78.04714	2.2
79.05507	1.6
81.07068	1.3
83.08614	1.0
87.54987	0.4
89.03927	33.6
90.56438	0.4
90.94077	0.4
91.05495	3.7
93.07054	4.3
95.05014	0.8
95.08620	2.5
98.97601	1.1
98.98473	1.2
103.05461	1.3
105.07037	1.4
106.04203	2.7
107.08603	5.0
109.10150	0.7
117.03394	67.6
118.03750	0.6
119.04992	0.7
119.08604	1.2
120.08115	1.6
121.06493	1.0
121.10159	6.5
124.05256	0.5
131.08611	0.9
133.10158	0.6
134.03644	7.3
135.04451	2.9
135.11729	1.5
145.02861	100.0
146.03217	1.0
149.02161	0.4
149.06003	20.6
158.06012	0.9
159.08118	0.4
159.11702	1.5
162.03148	1.6
163.03932	1.7
177.05492	33.2
177.09073	1.3
177.12756	1.8
177.16418	4.7
180.26732	0.4
185.13669	0.5
186.05469	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	177.0549
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
55.63082	0.4
63.02375	0.7
69.45613	3.0
69.46014	0.7
71.26771	0.4
78.04725	2.0
89.03932	32.7
91.05492	2.1
93.07049	0.7
95.05003	0.5
98.98482	0.5
103.05492	1.4
105.03422	0.4
106.04179	3.3
114.87705	0.4
117.03399	63.9
118.03735	0.6
119.04951	0.8
121.06524	0.7
134.03658	7.4
135.04471	2.6
145.02869	100.0
146.03244	0.9
149.06004	20.4
162.03191	0.9
163.03932	1.5
177.05501	32.6
186.05589	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03949	0.6
62.01581	0.4
63.02384	1.2
64.59628	0.3
67.05482	0.3
69.03421	0.3
69.07080	0.5
70.50546	0.3
71.37134	0.6
72.08156	0.6
78.04720	2.2
79.05520	0.8
81.07044	0.6
89.03923	33.8
91.05490	2.9
91.36686	0.4
92.00605	0.3
93.07040	1.3
95.04972	0.8
95.08609	0.5
98.14809	0.3
98.97594	0.4
98.98488	1.3
103.05483	1.9
105.03414	0.4
105.07051	1.1
106.04189	3.1
107.04967	0.5
107.08591	1.4
107.25972	0.3
117.03386	63.1
117.07008	1.0
118.03713	0.9
119.04926	0.4
119.08584	0.5
119.75926	0.4
121.06509	1.1
121.10126	1.0
124.05215	0.5
124.06213	0.3
131.04924	0.9
131.06886	0.7
131.08582	1.3
133.10110	0.4
134.03641	6.6
135.04451	3.2
135.07991	0.5
135.11732	0.9
144.09283	0.5
145.02853	100.0
146.03212	0.8
149.05989	22.7
149.13243	0.3
158.06024	0.5
159.04491	0.4
159.11711	1.5
162.03160	1.0
163.03879	1.4
177.05481	33.8
177.09007	1.0
177.12677	1.6
177.16313	0.5
180.90419	0.3
186.05539	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.62673	0.4
51.04101	0.4
53.03950	1.1
55.01875	0.5
57.03435	0.4
57.04686	0.4
63.02386	0.9
65.03935	0.6
67.14874	0.4
69.07079	1.2
70.06595	0.6
71.06913	0.4
71.45036	0.8
77.03947	0.5
78.04710	2.3
79.05505	1.6
81.07074	1.0
82.37051	0.4
83.08636	1.0
89.03924	34.6
91.05490	6.0
93.07069	2.8
95.04971	1.3
95.08615	2.0
98.15829	0.4
98.98483	2.0
103.05469	3.7
105.04555	0.7
105.07026	1.5
105.07684	0.4
106.04179	5.3
107.04961	1.1
107.08608	3.6
109.06510	0.5
109.10166	0.5
112.35197	0.4
117.03390	71.7
117.07054	1.2
117.51135	0.4
118.03692	0.6
118.07521	0.5
119.05059	0.5
119.08610	0.9
120.08119	1.6
121.06506	3.2
121.10143	4.0
129.88373	0.5
131.04936	1.9
131.08549	2.2
132.57109	0.5
133.10158	0.8
134.03645	9.3
135.04437	4.5
135.08041	0.9
135.11710	1.6
145.02859	100.0
146.03230	1.4
147.04420	0.5
149.02347	1.4
149.05998	26.5
149.09639	0.6
149.13246	0.9
158.06036	0.9
159.07898	0.5
159.11717	1.1
160.07585	1.7
162.03151	2.0
163.03946	2.9
165.98843	0.4
177.05484	42.2
177.08916	2.6
177.12752	2.8
177.16391	2.6
186.05486	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	176.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85638	0.5
53.03945	0.6
53.82689	0.4
58.02967	12.4
65.60862	0.4
67.55679	0.4
70.06596	0.5
70.63932	0.5
70.64265	1.1
72.08155	1.6
91.05489	4.4
93.07052	0.6
96.42256	0.5
98.98518	0.5
103.05466	3.1
104.06264	0.7
104.55917	0.4
105.05756	0.5
105.07025	1.3
107.04996	0.5
115.05439	0.6
118.04173	21.7
119.04960	8.5
120.08116	0.7
120.08948	0.5
121.06509	0.5
124.93806	0.5
128.04834	0.4
129.05705	0.6
129.06639	0.5
130.06537	29.6
131.04939	58.4
131.07219	1.3
132.05783	2.7
133.05272	0.5
141.20399	0.4
144.05702	6.5
148.07552	2.1
149.02408	0.6
158.04811	0.9
158.06029	13.9
159.06808	100.0
160.07114	1.3
161.45146	0.4
176.07072	33.1
176.14316	0.8
186.22495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0707
Annotation	Indole-3-acetate
Peak:m/z	Relative Intensity
53.03977	0.5
58.02698	0.5
58.02966	12.6
65.04009	0.5
70.05413	1.8
77.04008	0.5
91.05488	4.5
98.20887	0.6
103.05492	4.0
105.07067	1.2
115.05460	0.7
116.05822	1.6
117.07037	2.0
118.04169	22.9
119.04964	7.8
120.08152	0.7
122.41389	0.4
130.05098	0.8
130.06538	33.3
131.04939	89.4
132.05801	2.9
144.05737	6.7
145.06459	1.8
148.07559	1.8
158.06021	15.4
159.06807	100.0
160.05229	0.4
160.07117	1.1
161.05527	2.7
176.07014	30.7
177.07581	0.4
177.09084	2.2
183.78107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0707
Annotation	3-Methyl-1H-indole-2-carboxylic acid
Peak:m/z	Relative Intensity
53.19095	0.4
57.28022	0.4
58.02967	13.3
69.85835	2.5
70.52476	0.4
79.05495	3.2
87.76534	0.4
91.05490	5.9
93.07052	1.3
95.04994	0.9
103.05484	3.3
104.06263	0.8
105.07030	0.8
107.08567	1.1
115.05482	0.5
118.04172	22.9
119.04950	7.5
121.82072	0.5
129.05794	0.7
130.06535	32.1
131.04941	66.5
131.07289	1.9
132.05766	2.7
144.05713	6.0
148.07594	2.0
158.06026	15.3
159.06808	100.0
160.07173	1.0
176.07092	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	176.0708
Annotation	Indole-3-acetate
Peak:m/z	Relative Intensity
53.03967	0.7
55.06964	0.3
58.02971	7.5
65.03953	0.3
71.37682	0.8
77.03961	0.4
79.05522	0.5
91.05495	2.9
93.07067	0.5
95.04939	0.5
103.05480	3.7
105.07080	0.5
109.93704	0.4
112.42789	0.3
115.05455	0.5
118.04171	13.6
119.04982	4.9
120.75410	0.4
124.11042	0.3
129.05742	0.4
130.06543	19.9
131.04941	100.0
132.04477	0.5
132.05678	1.6
144.05708	4.5
146.78429	0.4
148.07596	1.4
156.15805	0.4
158.06021	9.3
159.06812	65.2
160.07137	0.6
176.07083	23.4
176.14331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
56.05042	4.1
56.96570	18.8
57.03435	2.6
57.93562	2.4
57.98792	1.0
58.99591	36.3
59.48879	0.8
60.04528	2.3
60.05626	1.2
61.01151	5.2
61.02929	1.7
62.23336	0.8
68.05031	4.8
69.03444	5.3
69.07072	2.6
70.02589	1.6
70.02959	22.3
70.06602	5.8
70.98107	1.4
71.01363	0.9
71.05016	1.1
71.06928	2.1
71.51550	1.1
71.95255	1.8
72.04525	100.0
72.08142	2.1
73.02921	3.4
74.06089	12.7
75.94611	1.3
76.02239	1.9
80.05022	2.8
81.03423	2.5
81.07075	1.1
83.12753	0.8
84.04501	2.7
84.08128	2.0
85.01136	7.6
85.02910	3.8
86.00665	19.7
86.09706	2.0
86.99064	65.8
87.04464	1.0
88.04000	10.7
88.07626	1.1
89.00657	3.3
89.03927	2.4
91.05464	2.8
92.72758	0.9
93.95655	1.1
95.01373	0.8
95.04986	1.4
96.04490	4.0
97.02914	4.1
98.01305	1.0
98.06075	1.5
98.97598	67.1
102.05568	1.2
102.96926	2.4
103.00504	1.3
103.05497	1.4
105.00114	11.2
107.04966	2.4
109.00520	0.9
109.02901	1.8
110.01270	1.5
110.97580	2.1
112.01042	1.1
112.02202	20.2
114.05547	1.9
114.51294	1.1
116.07092	5.9
116.97283	16.4
116.98626	40.9
117.03368	4.8
117.50919	1.4
119.01824	3.0
119.07291	0.8
119.97324	1.2
120.04399	0.9
120.08109	2.9
121.10191	0.8
124.03997	1.0
128.02365	1.7
128.97856	2.4
128.98700	1.6
130.03246	21.8
130.06532	5.8
130.12312	0.9
130.49904	2.5
131.00117	0.9
131.01723	1.2
131.27818	0.8
131.99559	3.9
132.01164	33.7
132.97945	2.5
134.03636	0.9
134.06052	2.5
134.08150	8.8
134.95950	2.7
134.99675	22.6
139.50403	7.6
140.00267	2.4
142.04999	1.5
145.02831	6.1
147.03249	1.8
147.04430	2.3
148.07549	1.8
148.50946	1.5
148.96207	1.1
149.06032	2.0
150.99231	0.9
152.96919	5.9
153.00604	1.6
153.50182	1.2
155.04639	3.9
157.97592	0.9
158.01283	3.8
158.02728	22.3
158.06079	0.9
158.08096	3.4
158.11768	0.9
158.99677	2.4
159.01129	11.9
159.11967	0.9
162.99005	4.2
175.98547	7.1
176.02223	1.4
176.03770	25.6
176.06976	7.4
176.09352	1.1
176.10713	3.0
176.14401	0.9
177.00729	2.6
177.05505	3.9
186.00708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67019	0.5
60.11503	0.6
63.15421	0.6
71.06935	0.9
71.51427	0.7
81.48489	0.6
83.69102	0.7
116.67292	0.6
124.73215	0.7
132.02133	100.0
147.04488	0.6
147.22325	0.6
150.03165	0.8
161.05183	0.6
176.01123	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	176.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47536	0.9
70.01856	2.5
70.06604	1.5
71.83669	0.9
73.02922	1.1
84.08157	1.3
95.36363	1.0
98.97585	3.7
120.02077	1.2
131.01782	1.0
132.02126	100.0
144.13911	1.7
147.32533	1.0
148.65283	1.0
176.01117	26.5
176.04568	1.8
176.16431	1.7
182.95674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01869	0.6
55.05523	4.0
63.10621	0.6
67.05506	2.7
67.90317	0.5
69.03436	0.6
69.07079	7.1
69.38364	4.6
69.38686	0.6
72.08162	0.5
79.05495	3.9
81.07063	20.2
83.08630	1.8
91.05492	10.0
93.07049	5.9
95.08614	15.7
97.02915	0.9
98.20792	1.2
98.98479	4.0
103.05445	0.8
104.06281	0.8
105.07042	24.8
107.08601	7.1
112.66808	0.6
115.05458	1.7
117.07034	2.6
119.04977	0.6
119.08592	54.7
120.08916	0.7
121.10164	1.1
129.07002	1.4
130.06532	0.6
131.08586	4.2
132.05737	1.5
133.10143	100.0
134.10483	1.1
145.10104	3.3
146.10887	1.4
147.08061	2.2
147.11707	7.6
157.10162	1.3
160.05238	2.0
160.12471	1.7
173.13260	2.7
175.07588	5.9
175.11343	4.0
175.14838	67.0
176.15208	0.9
177.58247	0.6
189.72748	0.7
193.81522	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.05511	5.2
57.07077	1.3
60.05654	39.0
65.03949	1.5
67.05508	3.9
68.05017	0.8
69.03428	1.3
69.07075	10.0
70.06599	100.0
70.76649	1.5
71.05005	1.6
71.06950	0.8
72.08167	4.9
77.03954	0.8
79.05498	6.6
81.03413	0.6
81.07065	31.5
83.08634	2.8
85.02914	0.8
87.04490	1.0
89.03943	0.8
91.05490	24.8
93.07055	11.0
95.04977	0.7
95.08617	21.9
97.02915	2.3
97.07688	0.9
98.06082	0.7
98.98479	11.9
105.04451	0.6
105.07043	40.2
107.08605	11.5
109.10179	1.2
111.04449	1.2
112.08738	6.0
113.07177	1.0
114.05536	0.9
115.03947	1.3
115.05386	5.2
115.08736	1.1
116.06286	1.3
116.07098	33.4
117.06998	4.4
119.04946	7.4
119.08591	76.0
120.08900	0.8
121.10140	1.0
127.03963	1.5
128.06190	0.9
129.07048	2.2
130.06554	0.9
130.09775	14.2
131.08578	7.4
132.05771	1.5
132.09404	1.3
133.06534	1.4
133.10147	63.0
139.04031	0.9
142.07809	1.1
143.04999	2.3
144.05740	1.1
145.06564	1.3
145.10161	2.3
146.10977	2.7
147.04417	3.8
147.08125	2.3
147.11702	11.4
147.12778	0.9
157.11003	1.7
158.09268	11.0
158.10521	0.7
160.05191	9.3
160.06314	0.7
160.12553	2.0
160.46248	0.6
161.06108	0.7
164.10649	0.6
173.13359	1.4
175.03935	3.9
175.06065	1.1
175.07538	16.8
175.11990	37.0
175.14836	80.6
176.07059	0.7
176.15283	1.3
190.84366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05518	5.1
67.05494	2.7
69.07079	9.9
69.86394	4.9
79.05502	6.1
81.07065	27.7
83.08623	2.1
91.04977	1.6
91.05487	18.2
93.07056	10.2
95.08060	1.8
95.08613	19.7
98.97572	3.9
98.98473	5.6
103.05483	1.2
105.07039	37.2
107.08613	12.2
115.05456	5.4
116.98620	1.3
117.07021	4.8
119.08592	76.0
121.10148	1.5
129.06993	2.0
131.08543	4.9
132.95834	2.2
133.10143	100.0
143.04933	2.8
144.05667	1.2
145.10112	4.7
147.11702	10.7
157.06451	1.2
157.10072	1.1
160.05223	8.5
160.12465	1.6
173.13165	1.3
175.07545	13.2
175.11317	4.7
175.14836	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03956	1.0
55.05518	6.3
56.10475	0.6
57.07077	1.4
59.05017	0.9
60.05655	38.9
65.03962	1.4
66.85981	0.8
67.05502	3.8
69.03432	0.9
69.07075	10.7
70.06598	95.5
71.05016	1.8
71.06918	1.0
71.52530	0.8
72.08154	4.9
77.03943	0.7
79.05502	4.9
81.07066	30.4
83.08639	2.5
87.04494	1.7
89.03931	1.3
91.05488	23.9
93.07048	11.1
93.44997	0.6
95.00161	0.6
95.08616	21.4
97.02905	2.2
97.07646	0.8
98.98476	9.2
101.89930	0.7
103.05503	1.5
105.07040	42.3
107.08610	10.9
111.04451	0.8
112.08746	4.6
114.05550	1.1
115.03975	0.7
115.05399	1.4
115.08685	1.2
116.07101	30.5
117.07004	4.3
119.04964	7.5
119.08592	86.4
120.09435	0.9
121.10178	2.4
125.02444	0.8
128.06206	0.7
129.07083	1.3
130.06578	1.1
130.09770	14.1
131.08572	6.9
132.09445	1.2
132.95897	0.8
133.10141	92.4
134.10526	1.0
140.39284	0.7
142.07785	0.7
145.10120	4.1
146.10962	1.9
147.04428	3.7
147.08075	1.1
147.11694	13.0
150.40419	0.8
157.09846	0.7
157.11015	1.3
158.09265	8.1
160.05043	1.8
160.12531	2.2
173.13329	1.8
175.03900	3.3
175.06180	1.4
175.07549	5.8
175.12004	35.7
175.14836	100.0
176.15291	1.5
190.29750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05658	42.9
60.05965	2.3
61.02922	1.1
65.56802	1.2
67.05497	1.1
67.75055	0.9
69.03443	1.8
70.06601	100.0
71.04996	1.7
72.08159	4.0
79.05500	3.1
80.68564	1.1
81.07075	2.6
87.04472	1.8
91.05486	3.2
92.82003	1.0
93.07081	1.5
97.02850	2.2
98.06067	1.3
98.98477	21.0
105.07063	4.2
107.08613	1.9
112.08733	4.7
114.05563	1.2
115.03922	2.4
115.05461	3.1
116.07105	34.7
116.97260	1.5
117.07038	1.7
119.08588	6.6
127.01465	1.0
127.03943	1.8
129.07022	2.5
130.08839	1.8
130.09782	14.8
133.06468	1.5
133.10147	7.9
133.92880	2.1
143.04921	1.2
144.05786	1.3
145.10115	1.4
147.08067	1.5
147.11749	1.5
151.94006	4.7
152.02469	1.2
157.04301	5.4
158.06181	1.6
158.09254	10.0
160.05217	5.6
175.07561	11.8
175.08821	2.1
175.11980	32.4
175.13193	2.3
175.14841	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03950	1.6
54.32857	1.1
55.05501	5.8
55.65371	1.3
67.05508	3.9
69.07075	11.4
70.00233	5.3
73.70364	1.3
79.05502	6.3
81.06600	1.9
81.07067	37.9
89.95727	1.2
91.05489	15.6
93.07059	10.6
95.08625	23.4
97.02856	1.4
98.21427	1.8
98.98470	13.5
105.07040	45.1
107.08607	13.1
109.10143	1.2
115.05453	7.8
117.07009	6.8
119.08594	81.4
120.09438	1.3
121.10143	1.4
131.08551	7.0
132.09341	1.2
133.10144	85.6
143.04936	2.4
144.05733	2.1
145.10149	3.3
146.10901	2.5
147.08107	2.3
147.11703	11.5
149.64473	1.3
157.04248	4.2
160.05211	11.9
160.12506	2.4
169.57385	1.4
175.07556	17.3
175.08856	2.0
175.13330	3.7
175.14835	100.0
191.03157	1.2
191.24168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	L-Arginine
Peak:m/z	Relative Intensity
51.51572	0.5
54.94283	0.6
56.48704	0.5
59.31085	0.5
60.05654	36.2
70.01819	2.4
70.06599	100.0
71.05002	1.9
71.06946	0.6
72.08160	5.6
79.05502	1.5
81.07073	1.4
88.07613	0.6
91.05494	1.1
92.90064	0.6
97.07650	0.7
98.98499	4.7
105.07047	1.9
107.08621	0.8
112.08747	3.9
114.10305	0.6
115.05456	1.0
115.56355	0.5
116.07102	28.5
117.07031	0.8
119.08577	2.3
129.07076	0.7
130.09770	12.2
131.08626	0.8
133.10136	1.0
147.11708	0.8
157.04292	0.7
157.10950	0.9
158.09251	7.4
160.05223	2.5
168.60023	0.6
175.07513	3.4
175.11951	24.2
175.14871	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05655	37.8
64.39405	0.4
65.06050	0.4
70.06599	100.0
70.27219	0.4
71.04999	1.8
71.05752	1.0
72.08170	4.3
72.23187	0.4
82.70654	0.4
89.90884	0.4
98.06049	0.6
112.08736	5.3
114.10332	0.7
115.08681	0.9
116.07103	29.8
117.07386	0.4
121.15633	0.4
124.41423	0.5
130.09776	12.4
157.10869	1.9
158.09264	9.4
159.60449	0.4
175.11916	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	175.1192
Annotation	L-Arginine
Peak:m/z	Relative Intensity
60.05653	48.4
67.05534	0.2
70.06597	100.0
71.04980	1.1
71.06928	0.3
71.48685	0.4
72.08162	5.4
79.05517	0.5
81.07076	0.3
87.04494	0.4
88.07648	0.6
91.05486	0.7
95.04990	0.2
97.02882	0.5
97.07670	0.6
97.58251	0.2
98.06051	0.6
98.98468	3.1
105.07050	1.1
107.08623	0.3
111.04438	0.2
112.07582	0.3
112.08739	6.1
113.07137	0.8
114.05486	0.4
114.10319	1.1
115.03958	0.3
115.05463	0.8
115.08705	1.0
116.07100	41.4
119.08576	1.4
127.03950	0.3
129.06979	0.3
130.09773	18.4
131.08488	0.3
132.05690	0.2
133.10110	0.7
133.92981	0.6
141.06598	0.6
147.08011	0.4
147.11726	0.3
151.93929	0.9
157.04326	0.8
157.10869	2.2
158.09264	13.5
160.05212	1.4
175.07616	2.7
175.11926	44.6
175.14857	1.0
186.87328	0.2
190.40910	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68565	0.4
60.05656	37.5
66.53256	0.4
67.75864	0.4
69.86243	1.8
70.06601	100.0
71.04998	1.7
72.08161	4.3
79.14535	0.5
84.08131	0.5
85.80122	0.4
88.07612	0.6
98.06075	1.0
98.20915	1.0
111.68221	0.4
112.08746	4.9
114.10319	0.8
115.08721	0.6
116.07109	34.1
120.13211	0.4
126.12342	0.4
130.09782	14.6
141.06712	0.4
157.10892	1.8
158.09273	10.1
175.11925	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	L-Arginine
Peak:m/z	Relative Intensity
51.75607	0.2
53.65463	0.3
55.02545	0.2
57.13318	0.2
60.05654	41.2
68.05023	0.3
70.06598	100.0
70.68932	0.3
70.69286	0.6
71.04999	1.7
71.06943	0.3
71.66451	0.3
72.08160	5.0
78.79126	0.3
84.11485	0.2
88.07662	0.6
89.87963	0.2
97.07667	0.6
98.06046	0.4
108.94575	0.3
112.08756	4.2
113.07169	0.7
114.10325	0.8
115.05879	0.7
115.08678	1.2
116.07104	30.1
130.09770	13.6
141.06583	0.5
157.10854	1.4
158.09259	9.1
175.11919	36.2
176.12306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.112
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03944	0.5
55.01866	0.5
55.05513	2.0
56.96568	0.3
57.03411	0.4
60.05642	0.7
65.03934	0.4
67.05507	2.0
67.69513	0.3
69.03418	0.9
69.07076	1.9
69.33230	2.3
70.06599	1.8
72.08160	1.6
72.93817	0.3
75.08656	0.3
77.13328	0.3
79.05505	2.0
80.45266	0.3
81.07057	4.7
83.04979	0.7
83.08649	0.6
87.02210	0.3
87.04485	0.4
91.05484	7.1
93.07037	1.9
95.04964	0.4
95.08606	3.0
97.02897	1.3
98.98467	6.9
103.05463	0.9
104.06248	0.8
105.07037	22.0
106.07368	0.4
107.04947	1.0
107.08607	2.5
111.04446	0.5
115.03883	0.6
115.05456	8.8
116.07063	0.5
117.07013	3.4
119.04917	1.3
119.08591	22.4
121.06513	8.5
125.02338	0.4
128.06250	1.6
129.07019	3.2
131.04912	1.9
131.08606	2.1
132.05719	3.7
132.09283	0.5
132.95854	0.6
133.06508	9.0
133.10135	16.7
135.08054	1.1
141.06941	0.7
142.07785	4.0
143.04910	2.5
143.08604	0.3
144.05690	1.4
145.06488	6.5
145.10098	1.1
146.07271	5.8
147.04428	1.1
147.08055	13.0
147.10661	0.6
147.11696	6.8
151.07512	0.8
155.06026	0.5
155.08640	0.3
157.07668	0.4
157.10120	4.1
159.08043	1.0
160.05209	10.6
160.08842	14.4
160.12430	0.5
173.09659	0.5
175.03949	1.1
175.07614	19.0
175.11189	100.0
175.14769	15.1
176.11490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.02375	0.5
53.03942	2.7
55.01875	5.7
55.05511	4.8
57.03439	0.4
59.05005	0.4
60.05645	2.1
65.03939	1.2
67.05508	8.2
69.03429	1.2
69.07069	2.5
69.79261	1.6
69.97973	0.3
70.06593	5.2
77.03905	0.4
79.05492	21.5
80.07010	0.3
81.03421	6.8
81.06662	0.2
81.07056	15.9
83.04980	3.3
91.05483	46.6
92.05838	0.5
92.90424	0.4
93.03409	0.7
93.07045	31.3
94.20075	0.3
95.04973	7.7
97.02917	0.6
97.06543	0.9
98.03648	0.4
98.21033	0.9
98.98472	3.6
103.05453	1.6
104.06245	0.4
105.07034	75.9
106.07328	0.4
107.04960	10.1
107.08598	28.7
109.06517	1.4
111.04473	0.4
115.03915	0.5
115.05463	3.5
116.06231	1.4
116.07095	1.6
117.07018	5.7
119.04939	2.0
119.08586	33.8
120.08960	0.3
121.06509	4.2
126.03065	0.3
128.06213	1.5
129.07011	14.5
130.09734	0.7
131.04948	0.9
131.08572	32.5
132.05707	0.7
132.09026	0.5
133.06499	33.1
133.10132	61.6
133.92966	0.8
134.10501	0.8
135.08017	0.8
141.06973	0.9
142.07782	10.1
143.06039	0.4
145.06456	2.5
145.10115	3.7
146.07295	4.0
147.08047	12.3
147.11690	34.4
148.12065	0.7
151.93982	1.1
157.10132	17.8
158.09271	0.6
159.08063	0.4
160.05174	1.1
160.07567	0.5
160.08841	5.6
175.07611	2.3
175.11179	100.0
176.11513	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.02370	1.4
51.86958	0.7
51.88118	0.8
53.03946	7.4
54.66339	0.8
55.01868	7.3
55.05512	5.1
57.03424	1.5
59.20555	0.7
60.05652	9.4
61.02929	1.0
62.70098	0.8
65.03927	2.2
66.36967	0.7
66.53487	0.8
67.05511	10.4
69.03400	2.2
69.07051	3.0
70.06597	20.0
72.08134	1.2
77.03887	1.5
79.05498	42.2
81.03415	9.7
81.07065	30.2
83.04987	8.5
87.04433	1.2
87.25966	0.8
89.62024	1.0
91.05487	62.4
92.89981	0.9
93.03391	0.8
93.07049	77.0
95.04977	18.5
95.08587	1.0
97.02856	2.3
97.06510	2.0
98.97880	1.4
98.98474	17.6
103.05460	2.3
105.03372	1.6
105.04499	2.1
105.07038	90.0
105.54758	0.8
107.04971	20.0
107.08601	61.6
109.06505	3.3
111.04413	1.2
112.08700	1.1
115.03909	1.9
115.05446	7.5
116.06292	1.5
116.07069	6.5
117.07018	7.7
119.04932	1.9
119.06039	0.9
119.08591	33.6
121.06480	3.6
127.03880	1.1
128.06168	1.7
129.07002	16.7
130.09715	3.7
131.08574	35.6
132.05658	1.1
132.09314	1.0
133.05479	1.4
133.06502	42.4
133.10136	87.7
133.92958	1.6
134.10445	1.6
139.03876	1.0
142.07797	9.6
143.04950	1.4
144.05655	1.9
145.06448	2.1
145.10109	6.2
146.07231	3.7
147.08040	17.2
147.11690	39.9
151.93913	3.3
157.04276	1.5
157.10133	20.0
158.09195	1.9
160.05217	9.8
160.08838	3.1
175.07567	16.3
175.11159	100.0
175.14581	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	175.112
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.01622	0.4
51.02404	0.7
52.87664	0.3
53.03954	2.7
55.01881	4.3
55.05520	4.5
55.31359	0.4
57.03459	0.7
60.05658	6.5
65.03964	1.0
67.05512	8.5
69.03458	1.2
69.07079	1.8
70.06600	15.7
71.05000	0.4
71.52657	0.4
71.53027	0.4
72.08181	0.9
77.03944	1.1
77.50027	0.3
79.05502	36.0
80.30351	0.4
81.03457	1.5
81.06587	1.0
81.07067	19.2
83.04993	0.9
85.02896	0.5
87.04523	0.4
91.05492	38.2
92.90034	0.9
92.90540	0.6
93.07046	5.0
95.04979	8.4
95.08624	0.5
97.02909	1.4
97.06561	1.4
98.03696	0.7
98.98479	26.4
103.05482	7.6
104.06302	0.5
105.03436	0.9
105.04539	1.3
105.07041	92.7
106.07385	1.0
107.04966	36.8
107.07871	0.8
107.08601	15.7
109.06527	0.9
111.04428	0.5
112.08691	0.5
115.03932	0.8
115.05463	4.7
116.06317	0.7
116.07099	4.8
117.07035	4.1
119.04961	4.4
119.05849	0.5
119.08589	13.7
120.05712	1.1
120.08879	0.5
121.06528	3.4
127.03900	0.9
128.06218	1.0
129.07014	5.8
130.06468	0.5
130.09805	2.4
131.04933	2.0
131.08585	5.3
132.05701	0.8
133.06505	100.0
133.10141	10.6
133.92940	1.3
134.06819	0.6
139.03833	0.4
142.07793	3.7
143.06036	0.6
145.06483	1.7
145.10123	2.1
146.07268	3.1
147.04410	1.0
147.06978	0.5
147.08052	6.9
147.11707	13.4
151.94011	2.0
157.10110	4.7
158.09212	1.6
160.05150	1.2
160.08818	1.6
175.03842	1.3
175.07570	2.8
175.11145	36.3
175.14598	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	175.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.0
55.01835	4.7
55.05489	5.6
59.04961	2.3
60.05648	20.8
67.05509	11.7
69.03410	3.3
69.07046	2.2
70.06599	57.6
70.21034	8.5
71.04971	3.1
79.05502	35.9
81.03374	8.1
81.07068	24.9
83.04938	7.9
83.22691	2.6
87.04457	4.1
91.05491	75.1
93.07049	52.0
95.04974	12.4
97.02853	3.8
98.98470	30.3
105.07041	81.9
107.04987	15.0
107.08608	62.1
109.06516	3.6
112.08694	3.6
115.05393	5.5
116.06298	3.2
116.07082	21.9
117.06955	8.9
119.08591	39.2
121.06515	2.6
129.07025	21.1
130.09698	8.2
131.04875	2.2
131.08578	54.2
133.06496	28.7
133.10144	74.2
133.92885	7.9
142.07713	11.0
145.10052	3.9
146.07217	3.6
147.08076	14.5
147.11691	49.8
151.93874	9.3
152.23712	2.8
157.10114	23.3
158.09171	4.3
160.05157	3.4
160.08823	3.6
166.05786	3.6
175.07451	11.2
175.11118	100.0
175.14635	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	175.112
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03945	3.8
55.01877	3.8
55.05514	6.8
57.03429	1.5
59.30046	0.5
60.05629	0.6
65.03935	2.2
67.05188	1.1
67.05512	16.7
69.03420	1.7
69.07051	2.4
70.06588	1.6
71.06202	0.6
71.06566	0.8
75.91657	0.5
77.03922	2.0
79.05499	66.0
81.03429	4.3
81.07064	37.5
83.04996	3.1
84.02583	0.5
84.39349	0.5
91.05488	49.0
92.06298	0.8
93.07055	14.9
95.04977	20.2
97.06531	4.4
97.62894	0.7
103.05460	1.6
104.58869	0.6
105.03389	0.8
105.07039	65.7
107.04963	27.5
107.08602	55.5
109.06532	3.6
113.62093	0.6
115.05446	3.7
116.06302	1.1
116.07066	0.7
117.07014	6.5
119.04945	5.5
119.05738	0.6
119.06142	0.7
119.08590	28.3
120.05733	3.7
120.08923	0.8
121.06504	4.6
128.06235	1.7
129.07021	16.0
131.04945	0.7
131.08577	19.0
133.06506	31.7
133.10144	34.8
141.06987	1.5
142.07785	12.0
143.06145	0.6
145.06470	1.9
145.10139	3.2
146.07265	4.5
147.08054	18.8
147.11694	35.0
157.10139	19.1
160.08885	3.4
175.11194	100.0
176.11542	1.9
190.34317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.112
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03915	3.7
55.01855	2.6
55.05511	8.5
57.03412	2.0
60.05656	14.8
65.03905	2.4
67.05510	19.3
69.03411	1.6
69.07037	2.5
70.06597	40.5
70.54116	2.8
71.35250	0.8
72.08123	2.5
77.03895	1.0
79.05500	100.0
81.03375	2.7
81.07063	60.3
82.05237	1.1
83.04990	5.0
85.02870	1.5
85.89268	1.1
87.04462	2.1
91.05487	48.6
92.90034	2.4
93.07050	11.5
95.04975	38.7
95.08627	5.9
97.02911	4.6
97.06523	5.0
98.03644	1.2
98.98478	25.9
103.05417	1.3
105.03371	1.8
105.04504	2.1
105.07040	57.3
107.04964	39.5
107.08604	95.2
109.06464	2.9
112.08669	1.9
115.03852	2.5
115.05440	5.8
116.06339	1.3
116.07101	11.8
116.97175	1.6
117.07008	4.4
119.04951	8.9
119.05735	1.5
119.06013	1.1
119.08595	30.7
120.05672	3.0
121.06455	2.0
127.03889	1.2
128.06161	2.6
129.07002	13.1
130.09766	6.6
131.08568	10.6
132.05647	1.6
133.06506	25.4
133.10138	48.6
133.92877	3.2
134.07262	1.2
139.03850	1.3
141.06926	1.4
142.07816	8.6
143.04878	1.0
144.05663	1.4
145.10005	2.6
146.07230	2.5
147.04355	1.1
147.06993	1.2
147.08060	18.7
147.11685	22.5
151.93970	6.8
157.04193	2.5
157.10138	12.7
158.09270	4.7
160.05237	6.4
175.03810	2.6
175.06207	1.3
175.07613	12.2
175.11121	69.1
175.14799	26.3
176.11496	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63345	0.4
51.02374	0.6
53.03953	3.0
55.01879	4.7
55.05510	5.2
57.03435	1.0
57.92993	0.4
60.05651	1.2
63.02338	0.4
65.03951	1.3
67.05511	12.2
69.03426	1.4
69.07067	2.1
69.12609	0.4
70.06603	3.4
70.11293	1.8
75.04530	0.4
77.03948	1.4
77.96221	0.4
79.05500	62.1
80.05818	0.6
81.03426	5.6
81.07063	36.2
83.04985	4.6
91.05486	43.8
93.03407	0.4
93.07050	24.9
95.04974	21.8
97.06520	2.5
98.98493	1.0
103.05493	2.0
105.03383	1.4
105.04512	1.3
105.07039	60.1
106.07350	0.5
107.04965	28.2
107.08601	79.2
108.08961	0.7
108.46296	0.5
109.06527	3.2
115.05434	2.2
116.06236	1.1
116.07024	0.7
117.07018	5.7
119.04981	3.1
119.06052	1.4
119.08589	25.9
120.05724	0.5
121.06512	3.1
124.57814	0.4
128.06226	1.6
129.07014	13.2
131.04939	1.3
131.08574	16.7
132.05690	1.2
133.06503	52.8
133.10136	39.1
134.06866	0.8
135.08076	0.7
141.07007	1.4
142.06767	0.8
142.07788	9.7
143.05995	0.7
145.06496	2.7
145.10123	3.9
146.07295	4.4
147.08061	18.9
147.11694	29.3
155.84407	0.4
157.10146	15.0
158.09314	0.5
160.08855	3.7
175.11191	100.0
176.11539	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03943	5.2
53.08388	1.1
55.01884	2.8
55.05518	7.0
57.03439	2.3
59.04985	1.7
60.05653	40.0
64.94064	1.5
65.03947	1.8
67.05176	1.8
67.05508	22.0
69.03418	4.7
69.07073	3.0
69.58009	7.5
70.06599	100.0
71.04976	1.4
72.08138	5.3
79.05498	61.0
81.03418	2.9
81.07063	34.8
83.04972	6.3
85.02881	2.0
87.04469	2.1
88.02206	1.6
91.05487	63.9
92.90044	3.5
92.90477	2.5
93.07050	17.4
95.04979	16.7
95.08616	3.3
97.02899	8.2
97.06516	3.7
98.03656	3.0
98.98474	40.2
105.03378	1.8
105.07040	67.3
107.04958	22.0
107.08602	49.7
109.06527	4.0
111.04419	2.8
112.08723	4.8
115.03947	3.8
115.05440	14.2
116.06348	1.8
116.07099	31.2
116.97239	2.7
117.07013	9.5
119.04959	7.3
119.08590	39.3
120.05734	2.5
121.06503	5.7
121.10034	1.4
124.13946	1.2
125.02370	2.8
127.03925	2.8
127.57491	2.8
128.06198	2.0
129.07024	19.0
130.09752	13.6
131.04886	1.5
131.08577	21.6
132.05693	1.7
133.06509	26.5
133.10144	41.7
133.92889	5.7
133.97891	1.2
136.58018	1.9
139.03902	1.9
142.07793	13.6
143.04918	3.7
144.05693	1.6
145.05334	1.3
145.06494	4.2
145.10130	5.1
145.58531	2.1
146.07283	4.0
147.04500	2.6
147.08076	20.5
147.11697	42.1
151.58539	1.5
151.93903	14.3
157.04192	1.6
157.07594	1.2
157.10098	15.5
158.05981	1.5
158.09259	9.1
160.05182	10.4
160.08914	1.9
166.55965	1.7
169.95114	1.5
174.95418	1.4
175.03870	2.2
175.07413	17.2
175.08727	8.9
175.11029	87.4
175.14658	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	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03947	0.8
55.01859	1.7
55.05513	1.4
55.08899	0.5
60.05655	8.5
65.03935	0.8
67.05499	2.3
69.03431	1.6
69.07061	2.0
70.06600	20.4
71.52279	0.6
71.58509	0.5
72.08166	1.4
78.04706	0.8
79.05508	4.3
81.07067	4.9
91.05492	27.0
92.90009	0.8
92.90502	1.2
93.07066	4.9
95.04988	0.8
95.08614	3.3
97.02889	1.8
98.98476	11.2
103.05488	2.6
104.06266	10.0
105.03407	0.8
105.07044	11.8
107.04956	4.4
107.08607	3.6
111.04453	0.9
112.08715	0.7
115.03992	1.2
115.05461	28.7
116.06246	1.6
116.07060	6.5
116.97267	0.9
117.07029	14.0
119.04919	0.7
119.08598	37.0
127.03918	0.5
128.06232	7.6
129.07011	9.7
130.09776	3.8
131.04930	4.4
131.08583	1.8
132.05728	29.5
133.06490	2.0
133.10147	14.3
133.92970	1.1
137.36992	0.5
139.03937	0.6
143.04936	5.8
144.05724	2.8
144.18501	0.6
145.06497	3.1
146.07220	1.0
147.04425	1.2
147.08069	25.4
147.11662	4.3
151.94023	2.4
155.06059	1.7
157.04305	1.5
157.07646	0.9
157.10014	0.7
158.09271	1.6
160.05214	42.5
161.05702	0.6
175.07564	100.0
175.12103	6.8
175.14822	16.3
176.07912	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36637	0.8
53.03932	2.8
55.01878	4.1
55.05510	6.3
57.03415	2.0
60.05652	8.1
65.03919	2.0
67.05508	18.8
69.03411	2.1
69.07039	3.2
69.28821	5.4
69.29232	2.0
70.06597	19.9
71.04988	1.1
72.08124	1.1
72.27979	0.6
79.05497	59.0
79.77724	0.7
81.03426	3.7
81.07061	32.9
83.04969	3.7
87.04446	1.5
88.88412	0.8
91.05486	53.8
92.90437	1.4
93.03374	1.1
93.06505	1.1
93.07046	17.9
95.04974	15.4
97.02869	2.2
97.06544	3.8
98.20924	3.1
98.21637	1.2
98.97874	1.2
98.98467	14.7
103.05471	2.2
104.06219	1.1
105.03385	1.2
105.07036	69.1
107.04218	0.8
107.04961	24.0
107.08598	46.2
109.06486	2.2
112.08703	1.1
115.03887	1.3
115.05447	17.7
116.06240	1.9
116.07072	7.1
117.07021	9.2
119.04938	4.2
119.08588	35.8
120.05719	3.5
121.06516	4.3
123.82467	0.8
128.06224	2.0
129.07014	15.2
130.06538	0.8
130.09741	3.2
131.07619	0.9
131.08578	20.4
132.05724	3.5
133.06505	30.7
133.10135	42.6
133.92928	2.1
134.07152	0.9
135.08083	0.9
141.06956	1.1
142.07776	11.2
143.04961	4.6
144.05641	3.0
145.06482	2.4
145.10110	4.7
146.07307	3.9
147.08054	18.3
147.11691	36.7
151.94031	3.5
157.04214	1.2
157.10129	17.4
158.09200	1.7
160.05205	17.3
160.08838	3.9
174.95372	1.0
175.03842	0.9
175.06290	1.2
175.07579	31.9
175.11160	100.0
175.14729	4.1
176.11546	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0756
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
62.08896	0.5
70.73497	0.9
70.73827	0.6
72.08148	0.6
74.94599	0.5
79.05506	0.6
87.04434	0.5
91.05499	4.0
97.02815	0.5
98.20850	0.6
98.98472	6.0
103.05517	0.8
104.06261	1.8
105.03412	0.7
105.07023	1.6
106.89538	0.5
107.04897	0.6
108.57372	0.5
115.05467	39.5
116.06248	1.8
117.07023	8.6
119.04913	1.0
119.08590	5.1
128.06247	2.3
129.07007	4.1
131.04950	3.3
132.05765	8.3
133.10138	1.4
143.04942	11.0
144.05721	8.5
145.06479	1.3
147.08051	6.1
155.06088	1.5
157.06471	0.7
160.05214	64.3
175.04044	2.0
175.07564	100.0
175.14775	1.3
176.07985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0756
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
55.01879	0.9
55.05516	1.3
57.03449	0.6
59.05009	0.4
60.05664	0.8
65.03957	0.5
69.03431	1.1
69.07083	2.1
69.58270	0.6
69.58675	1.7
70.06594	3.9
72.08173	3.5
72.93788	0.5
79.05499	1.0
81.07062	2.2
83.05006	0.8
85.02909	0.9
86.95332	0.4
87.04472	0.6
91.05494	4.6
93.07058	1.4
95.08624	1.3
97.02905	2.7
98.03684	0.6
98.21566	0.4
98.98476	9.0
101.81796	0.4
103.05475	1.0
104.06255	0.7
105.03419	0.6
105.07045	6.4
107.04965	0.5
107.08614	1.3
110.97605	0.4
111.04405	0.5
115.05466	33.2
116.06342	2.3
116.07000	0.6
117.07034	10.0
119.04977	0.7
119.08592	11.4
119.97242	0.4
121.06508	0.5
125.02370	0.5
127.03922	0.8
128.06262	2.0
129.05428	0.4
129.07016	3.9
130.06558	1.5
131.04924	2.1
131.08571	0.9
132.04688	0.7
132.05742	6.2
132.08095	3.4
132.95872	2.6
133.06528	0.6
133.10144	6.6
142.04144	0.7
142.07834	0.7
143.04947	5.3
144.05725	10.2
144.08096	16.1
145.06480	1.4
147.04414	1.4
147.08040	4.5
147.11691	4.1
150.96893	1.0
151.93726	0.6
155.06061	1.1
157.07590	0.6
157.10159	1.3
158.06000	0.7
159.04445	0.5
160.05215	67.9
160.08813	1.1
161.05835	0.8
175.07561	100.0
175.10957	5.9
175.14842	10.0
176.07907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0756
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
52.14977	0.6
52.61607	0.6
52.69352	0.7
54.90178	0.6
61.48058	0.6
69.79957	1.5
69.80349	1.2
73.38900	0.6
78.82504	0.6
84.70686	0.7
91.05483	1.8
98.20787	0.7
98.98474	1.0
104.06275	0.9
105.07044	1.1
115.05465	42.7
116.06258	2.0
117.07040	10.0
119.08585	3.1
126.81528	0.7
128.06218	2.0
129.07021	3.3
131.04939	2.2
132.05754	7.2
133.10130	1.0
142.04086	0.9
143.04950	8.2
144.05722	10.2
145.06442	0.9
147.08025	4.0
154.28185	0.7
155.06044	2.2
160.05215	72.3
161.05901	1.1
175.07565	100.0
175.14835	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	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
50.48380	0.5
59.57412	0.4
69.03428	0.7
69.82372	2.5
70.06591	1.3
80.54617	0.5
81.07068	1.1
91.05496	2.4
91.39453	0.5
93.07040	0.6
97.02890	0.8
98.98480	8.3
101.30305	0.5
103.05464	0.7
104.06252	0.6
105.03380	0.9
105.07057	2.4
115.05466	34.8
116.06251	2.2
117.07032	8.7
119.08573	3.3
128.06218	2.1
129.07013	6.4
131.04955	1.6
132.05721	6.8
133.10133	1.8
143.04941	6.0
144.05714	8.8
145.06497	1.4
147.04385	0.6
147.08043	4.6
155.06091	0.6
157.04324	1.1
157.06538	2.0
160.05211	63.1
161.05908	1.1
175.07567	100.0
175.14853	1.8
176.07881	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0756
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
55.01866	0.7
55.08040	0.5
56.96568	0.8
57.48131	0.5
58.19828	0.5
60.05642	1.0
68.76035	0.5
69.03432	1.0
69.07059	0.9
70.06597	4.2
71.51674	0.5
71.52061	0.5
72.08145	1.0
79.05486	0.8
81.07062	1.6
83.04947	0.8
84.57829	0.6
87.04504	0.8
91.05491	5.2
92.90053	1.6
93.07040	0.9
95.08617	0.9
97.02919	2.6
98.03668	1.1
98.98478	16.0
103.05486	0.6
105.03482	1.0
105.07058	5.2
107.08575	0.7
111.04437	0.7
115.05463	36.4
116.06298	1.1
116.97269	1.0
117.07024	8.1
119.04934	0.8
119.08595	8.2
125.02367	1.2
127.03947	1.2
128.06241	2.1
129.06966	4.5
130.06532	0.9
131.04929	3.2
131.08530	1.0
132.05736	6.4
132.08139	0.7
133.06422	1.0
133.10127	4.4
133.92950	1.8
139.03912	0.9
142.07780	0.8
143.04938	11.8
144.05717	8.5
144.08121	4.3
145.06361	0.8
147.04433	0.7
147.08052	5.2
147.11685	1.4
151.93977	3.9
157.04291	1.1
157.10120	0.8
159.04346	0.7
160.05214	61.8
161.05820	1.7
174.06729	0.5
174.95547	0.7
175.07559	100.0
175.11197	3.7
175.13251	1.1
175.14774	5.5
176.07953	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
65.11530	0.5
65.47386	0.4
69.91700	0.4
69.91995	2.2
72.71021	0.5
81.48058	0.5
91.05488	0.8
103.05469	0.6
104.06264	1.2
115.05465	29.4
116.06252	1.3
117.07027	7.2
119.08571	1.0
128.06219	0.9
129.07056	2.6
131.04921	1.6
132.05742	4.3
143.04932	6.2
144.05717	8.9
145.06519	0.6
147.08052	2.8
157.06439	0.5
160.05209	57.1
161.05937	0.9
175.07562	100.0
176.07874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70504	0.3
65.03944	2.5
66.40549	0.3
69.51302	2.2
70.06593	0.3
85.55054	0.3
91.05491	37.3
92.05797	0.4
93.07079	0.3
95.08604	0.3
97.02892	0.3
98.98470	3.3
103.05479	1.7
104.06261	1.0
105.03400	0.8
105.07069	1.3
115.05467	40.3
116.06310	2.8
116.07059	0.6
117.07034	8.7
118.04190	0.4
119.04961	11.1
119.08598	2.1
121.02844	0.5
128.06261	2.3
129.07025	3.6
131.04945	2.2
132.05753	6.9
133.10143	1.0
135.50671	0.3
136.18643	0.3
142.04140	0.8
143.04942	7.0
144.05716	10.7
144.06796	0.7
145.06499	1.0
147.04430	34.2
147.08040	3.6
147.11641	0.3
148.04724	0.7
155.06032	1.7
157.10046	0.3
159.04405	0.9
160.05214	69.9
161.05811	1.1
165.19594	0.4
174.06770	0.7
175.03943	60.8
175.07558	100.0
175.14607	1.5
176.04308	0.9
176.07991	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0756
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
51.80830	0.5
53.91098	0.4
54.03098	0.4
57.37063	0.4
59.66796	0.4
67.31607	0.5
70.68816	0.9
70.69185	1.1
91.05482	1.1
101.30247	0.5
103.05489	0.7
104.06280	0.8
105.03416	0.7
115.05468	35.8
116.06300	2.6
117.07040	7.9
119.08574	1.1
128.06248	1.4
129.06998	3.5
130.73875	0.5
131.04930	1.9
132.05728	7.3
143.04953	7.2
144.05728	10.4
145.06529	0.9
147.08067	3.4
155.06079	1.5
160.05215	71.9
161.05727	0.7
175.07567	100.0
176.07913	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0756
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
50.48314	0.3
53.03942	0.3
59.91095	0.3
60.05653	2.9
60.35075	0.3
69.07097	0.3
70.06601	5.4
71.53109	0.3
79.05504	0.6
81.07043	0.4
82.15337	0.3
91.05483	2.3
92.90464	0.3
93.07053	0.4
97.02897	0.3
98.98468	4.7
102.57818	0.3
103.05449	0.7
104.06243	0.9
105.03412	0.9
105.07056	1.7
107.08576	0.6
115.05463	36.4
116.06232	2.4
116.07098	2.0
117.07024	7.9
118.06643	0.3
119.08604	2.3
128.06239	2.0
129.07004	3.3
130.09781	1.0
131.04878	1.5
132.05710	5.7
132.06696	0.4
133.06512	0.4
133.10132	1.2
133.54262	0.3
142.04153	0.4
143.04933	7.1
144.05713	8.7
145.06458	0.9
147.08061	4.0
151.94006	0.4
155.06042	1.3
157.04315	1.2
158.09239	0.7
159.04407	0.4
160.05206	63.3
161.05791	1.1
166.63954	0.3
174.95387	0.3
175.07558	100.0
175.13206	0.9
175.14832	1.1
176.07924	1.2
184.07552	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
70.06603	0.6
70.72947	0.6
70.73273	0.6
77.60383	0.3
79.97289	0.3
81.18210	0.3
91.05498	1.7
93.61292	0.3
98.98484	2.6
100.42557	0.4
103.05481	0.7
104.06286	0.7
105.03479	0.5
105.07017	0.6
105.92764	0.4
115.05464	43.8
116.06310	2.2
117.07033	7.1
119.08617	2.0
124.36250	0.4
128.06233	1.6
129.07011	3.0
131.04944	2.4
132.05791	5.0
143.03810	0.6
143.04938	12.4
144.05719	10.3
144.06694	0.3
145.06476	0.8
147.08066	3.7
155.06052	1.2
157.04205	0.4
159.04443	1.3
160.05211	65.1
161.05780	1.4
175.07561	100.0
176.07927	1.2
184.07709	0.4
184.44858	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
55.01874	0.3
60.05650	2.0
67.05518	0.5
68.99812	0.3
69.03438	0.4
70.06600	4.2
70.77116	0.8
78.04664	0.3
79.05489	1.1
81.07063	1.0
85.38442	0.3
91.05502	3.4
91.56728	0.3
93.07046	0.9
97.02930	0.4
98.98472	3.1
103.05463	1.4
104.06252	0.9
105.03396	0.5
105.07035	2.5
107.08611	1.4
115.05466	32.7
116.06242	2.0
116.07117	1.3
117.07036	8.2
119.04967	0.6
119.08585	2.4
128.06235	2.0
129.07040	3.5
130.09747	0.8
131.04927	1.8
131.08560	0.9
132.05736	6.7
133.06470	1.2
133.10130	1.1
133.92918	0.4
142.04149	0.4
142.95438	0.3
143.04947	4.8
144.05719	9.8
145.06476	1.1
147.08070	4.4
147.11761	1.2
151.93910	0.4
155.06041	1.3
157.06607	0.4
157.10081	0.5
158.09276	0.6
159.04422	0.6
160.05214	64.4
161.05724	1.1
175.07565	100.0
175.11134	2.1
175.14758	0.9
176.07904	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.3
55.01869	0.6
55.05533	0.6
56.90747	0.3
60.05637	0.7
65.03939	4.6
66.65923	0.4
67.05521	0.7
69.03438	0.5
69.07063	0.5
69.96538	0.7
69.96944	1.2
70.06600	1.9
72.08160	1.7
75.77612	0.3
79.05502	1.0
79.65314	0.4
81.07057	0.9
83.04987	0.5
91.05487	70.2
92.05826	0.8
92.90054	1.0
93.07036	0.7
95.04982	0.5
95.08620	0.9
97.02909	2.1
98.03656	0.4
98.20747	0.4
98.98472	8.3
103.05514	1.7
103.06084	0.4
104.06219	0.9
105.03415	0.9
105.07059	4.5
107.08627	0.5
111.04436	0.8
115.05463	35.4
116.06249	2.1
116.07082	0.8
117.07030	10.1
119.04253	0.2
119.04953	19.0
119.08589	33.1
121.02852	0.6
121.06567	0.9
127.03928	0.6
128.06229	2.3
129.07005	4.1
131.04973	2.0
131.08577	1.1
132.05713	5.7
133.06508	1.4
133.10133	3.4
133.92972	0.8
142.07779	1.4
143.04932	6.3
144.05725	10.0
145.06473	3.1
145.10086	0.4
146.07295	1.9
147.04422	64.3
147.08043	7.0
147.11697	5.6
148.04756	0.7
149.78195	0.4
151.93941	2.5
155.06088	0.9
157.04263	0.6
157.06569	0.5
157.10176	1.1
160.05208	60.6
160.08795	2.6
161.05693	0.9
175.03931	100.0
175.07547	91.2
175.11134	17.1
175.14774	3.8
176.04237	1.5
176.07892	1.3
181.74408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0757
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
55.01882	0.6
55.05518	0.7
57.03458	0.7
60.05640	0.5
61.47961	0.3
65.03941	5.6
67.05509	0.6
69.03438	1.0
69.07063	0.4
70.06615	1.7
71.04989	0.3
72.08171	2.1
79.01866	0.3
79.05499	0.7
81.07070	1.8
83.08659	0.4
87.04513	0.4
91.05491	69.9
92.05820	0.7
92.90089	1.2
93.07047	1.0
95.04962	0.4
95.08618	0.7
97.02912	1.7
98.03722	0.5
98.21516	0.8
98.98474	10.4
103.05493	1.7
104.06295	0.5
105.03412	0.9
105.07042	5.3
107.04957	0.6
107.08598	0.5
111.04450	0.5
115.05465	22.8
116.06250	1.5
116.07086	0.7
117.07030	6.3
119.04957	21.6
119.08590	15.0
119.09457	0.4
121.02889	1.0
121.06501	1.3
125.02355	0.4
127.03928	0.7
128.06248	1.4
129.06999	2.9
131.04919	1.7
131.08551	1.3
132.05713	3.9
133.06503	1.4
133.10149	4.1
133.92958	1.1
136.58022	0.5
139.03931	0.5
142.07797	1.0
143.04916	5.3
144.05727	5.8
145.06502	1.2
145.10161	0.8
146.07269	1.3
147.04425	66.8
147.08044	5.0
147.11678	2.8
148.04767	0.4
151.93867	2.1
155.06059	0.8
157.04253	0.5
157.10144	1.2
160.05214	37.1
160.08838	2.5
161.05675	1.0
175.03929	100.0
175.07542	60.7
175.11139	14.6
175.12868	0.6
175.13278	0.7
175.14766	4.6
176.04268	1.6
176.07886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0754
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
50.00996	0.7
50.71773	0.7
53.03933	2.1
53.10230	0.7
55.01864	1.5
55.05502	3.5
57.31553	0.7
60.05635	1.1
65.03936	0.9
66.68889	0.8
67.05509	2.0
68.44016	0.7
69.03426	2.1
69.07069	5.9
69.57773	5.2
70.06595	1.7
70.78255	0.7
72.08156	1.6
77.03952	1.1
78.03488	0.8
78.04709	2.5
79.05486	3.4
81.07068	12.1
83.08606	1.1
85.01121	2.2
85.02926	1.1
87.02699	1.5
91.05489	38.4
93.07035	5.1
95.04959	1.4
95.08600	7.9
96.04498	1.6
97.02890	2.5
98.03627	1.0
98.98473	12.2
103.02168	1.6
103.05499	4.1
104.06268	13.4
105.07043	22.8
106.15295	0.8
107.04956	7.0
107.08620	5.3
111.04471	1.2
112.02193	2.4
115.05466	31.0
116.06256	1.8
117.07027	19.7
119.04897	1.3
119.08592	78.1
121.06548	0.9
121.10131	1.5
125.02363	1.0
127.03875	0.9
127.05460	1.0
128.06255	9.4
129.07016	13.4
130.06567	1.3
131.04941	5.4
131.08597	4.2
132.05724	42.4
133.06552	1.5
133.10143	58.6
143.04948	5.3
145.06494	4.1
145.10101	2.4
146.07220	1.2
147.04440	1.4
147.08058	44.4
147.11697	5.7
155.06004	1.3
157.06496	1.8
157.07652	1.2
157.10123	2.8
160.05209	30.8
160.12469	1.2
175.07561	100.0
175.11092	8.6
175.14839	50.7
176.02039	1.8
176.07965	1.3
176.15245	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78451	0.4
55.05493	0.4
55.90881	0.4
60.05647	1.0
69.03416	0.5
70.06584	1.7
77.68758	0.5
79.05480	0.6
81.07037	0.7
83.04984	0.4
83.50903	0.4
91.05487	4.0
95.08620	0.6
97.02892	1.3
98.03667	0.5
98.97882	0.5
98.98483	8.0
98.99118	0.7
103.05438	0.7
104.06242	1.1
105.03380	0.8
105.07024	2.2
107.04943	0.7
107.08623	0.4
115.05465	32.6
116.06364	2.1
116.06989	0.7
117.06223	0.7
117.07030	9.2
119.04956	0.6
119.06907	0.5
119.08596	5.4
127.03960	0.7
127.99909	0.5
128.06244	2.5
129.07010	4.6
131.04930	1.8
132.05734	7.2
133.10147	2.6
133.92970	0.5
138.68640	0.4
143.04941	6.8
144.05716	9.2
145.06482	1.0
147.08057	6.5
155.06020	1.0
157.04330	1.3
157.06476	0.4
159.04413	0.7
160.05211	63.6
161.05801	1.2
172.94600	0.4
174.06770	0.6
175.07565	100.0
175.13174	1.3
175.14842	3.3
176.07889	1.1
184.07700	0.4
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
53.03962	0.2
55.01888	0.2
55.05507	0.6
56.96562	0.4
63.02382	0.3
65.03944	5.1
67.05513	0.6
67.74148	0.3
69.03440	0.6
69.07082	0.6
70.06604	0.9
72.08154	0.9
79.01842	0.7
79.05501	0.8
81.07073	0.5
81.54462	0.3
85.02931	0.3
91.05492	66.6
92.05823	0.5
92.90074	0.7
93.07050	0.5
95.04961	0.4
97.02909	1.4
97.62675	0.3
98.03701	0.5
98.20701	0.6
98.98479	7.7
103.05495	1.9
104.06251	0.4
105.03400	0.5
105.07050	2.3
107.04890	0.4
109.66164	0.3
111.04438	0.3
115.05469	17.5
116.06245	1.1
116.07059	0.3
117.07042	4.2
118.04195	0.3
119.04961	20.7
119.08594	7.5
120.05318	0.3
120.16069	0.3
121.02880	1.1
121.06510	0.8
128.06233	0.9
129.07021	2.3
131.04941	1.2
131.08591	0.7
132.05725	3.0
133.06493	0.7
133.10138	2.6
133.92982	0.5
142.07776	0.7
143.04938	3.8
144.05722	5.6
145.06512	1.4
146.07300	0.9
147.04431	66.4
147.08058	3.7
147.11731	1.9
148.04788	0.8
151.93892	1.2
155.06097	0.8
157.04312	0.3
157.10106	0.6
160.05219	32.4
160.08798	1.8
161.05858	0.4
167.37608	0.3
175.03935	100.0
175.07547	48.9
175.11140	9.2
175.14699	2.1
176.04260	1.5
176.07957	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0916
Annotation	6-Methoxy-4-methylquinoline
Peak:m/z	Relative Intensity
52.24344	0.2
53.49109	0.2
60.05651	0.7
69.91919	0.7
70.06604	3.2
70.95844	0.2
71.04996	0.3
83.92015	0.2
91.05492	1.3
91.31038	0.2
97.02927	0.3
98.20802	0.2
105.07008	0.2
111.98554	0.2
113.96437	0.2
114.05547	5.1
115.05457	2.1
116.07116	0.7
117.05775	0.4
117.07019	1.6
118.06557	0.7
119.04990	0.3
119.08581	0.4
125.67332	0.2
128.10631	0.2
129.07018	0.4
130.06538	3.2
130.09740	0.3
131.07324	13.7
132.05698	0.4
132.95822	0.8
142.06538	1.7
143.07321	13.3
144.08115	3.0
146.06053	1.0
146.09648	0.7
147.08089	1.0
150.96916	0.7
155.06093	0.3
155.97440	0.2
158.06035	0.9
159.06815	39.3
160.07446	0.6
173.08388	0.5
174.09163	100.0
175.09589	1.2
175.11890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1128
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
56.05844	0.3
57.03418	0.2
60.04524	1.0
61.65527	0.2
67.05515	0.3
69.03428	0.4
69.07065	0.5
69.61125	1.6
70.06603	0.5
70.95866	0.6
72.04527	0.4
72.08161	0.6
72.93797	0.5
73.54344	0.2
78.93941	0.2
81.07060	0.7
82.06596	0.4
83.67650	0.3
84.04523	0.5
86.09715	100.0
86.20493	0.2
86.20982	0.2
87.10056	0.5
91.05503	0.5
95.08617	0.3
96.04494	0.4
97.02897	1.4
98.98470	0.7
105.07027	0.7
110.06040	0.3
111.98501	0.7
112.04803	0.3
114.05553	1.1
115.03962	0.4
117.07033	0.3
118.06559	0.5
119.08595	1.5
120.08951	0.5
128.07082	0.5
128.10727	14.2
130.07463	0.3
131.04982	0.5
131.08592	0.8
131.96219	0.2
132.08156	0.4
132.08980	1.5
132.10217	18.0
132.95830	1.8
133.10156	0.9
140.58727	0.2
144.09001	0.5
146.06024	2.0
146.10536	0.9
147.08163	0.3
147.11659	0.4
150.96927	1.6
152.10759	0.3
155.97453	0.8
156.10132	0.5
157.10143	0.3
159.04448	0.5
159.11400	1.2
160.05209	0.6
167.22641	0.3
173.98497	0.4
174.05490	0.5
174.07698	1.5
174.12592	0.8
174.13872	3.5
175.07649	0.6
175.11182	0.5
175.14786	1.2
178.13574	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0762
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
52.23167	0.8
53.03935	1.0
55.88232	0.7
56.05021	2.5
56.98974	0.7
57.03442	7.6
60.04525	43.6
60.05651	7.7
68.05029	4.6
68.11361	0.9
69.03085	1.2
69.03429	14.0
70.06592	22.8
70.37510	2.8
70.95866	2.2
71.04990	2.0
72.04518	1.9
72.08134	0.9
72.93777	1.8
84.04509	29.0
85.02907	12.6
86.06074	4.4
91.03966	0.8
91.05475	2.0
96.04488	11.3
97.02892	91.3
98.03223	1.0
98.98459	1.1
100.03952	1.3
102.05551	9.0
111.98443	2.4
114.05531	77.4
115.03941	7.7
115.05838	1.0
116.07116	5.6
118.06544	2.7
125.56884	1.0
128.07037	1.1
128.10745	1.2
130.09738	1.6
132.06543	3.8
132.95827	7.5
138.05482	1.8
146.06007	8.9
150.96867	5.1
155.97446	2.8
156.06548	2.2
158.09312	1.3
173.98460	2.1
174.05553	5.0
174.07614	100.0
174.12762	3.2
175.07654	1.1
175.11949	5.0
175.39406	0.8
180.04025	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0764
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03958	0.6
54.21289	0.6
55.01859	1.2
55.05516	1.4
55.93435	0.7
56.05042	2.8
56.05853	0.7
57.03447	8.2
59.04995	0.7
59.38800	0.7
59.59887	0.8
60.04534	41.9
61.02922	1.9
67.05507	0.7
68.05038	5.2
69.03083	1.1
69.03436	14.3
69.07082	1.8
70.06593	2.3
70.95872	3.6
71.01360	0.7
71.15009	1.1
72.08161	1.6
72.93775	2.3
81.07053	1.8
82.06599	1.3
84.04514	27.3
84.05305	1.4
84.08142	2.2
85.02917	11.4
86.06073	3.4
86.09709	2.2
91.05488	4.9
94.37383	0.8
95.04956	0.9
95.08624	1.1
96.04510	13.8
97.02906	95.5
98.98482	2.3
100.03984	1.3
100.07664	0.8
102.05562	8.6
102.06229	1.2
103.05495	1.1
105.03397	0.7
105.07026	3.4
107.04978	0.8
110.06074	1.0
110.09689	1.5
111.04445	0.9
111.98494	3.9
113.96423	1.4
114.05544	38.9
115.03945	7.2
115.05470	1.9
117.07066	1.8
118.06575	1.9
119.04929	0.7
119.08579	6.0
126.05659	0.8
128.07098	2.0
128.10750	3.0
129.07018	1.7
129.99515	1.1
130.07359	0.8
131.04933	4.1
131.08598	1.7
132.04469	0.8
132.06593	4.0
132.08090	2.4
132.08957	2.9
132.95834	4.8
133.10139	7.3
138.05583	2.2
143.04964	1.0
144.08989	1.1
145.06505	1.7
145.08835	0.8
146.06041	4.8
146.07060	0.9
146.10597	0.8
147.11729	1.6
150.96947	5.2
155.97476	3.1
156.06528	1.6
159.04448	1.9
159.07999	0.8
159.11340	1.5
160.05180	3.6
173.98537	1.6
174.07674	100.0
174.12775	3.9
174.13701	4.6
174.18602	1.0
175.07579	8.0
175.11247	3.0
175.14832	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	174.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07116	0.6
58.02976	0.6
59.85464	0.6
68.05038	0.7
70.06599	0.7
70.11982	1.1
70.12376	1.0
71.75884	0.5
72.08157	1.2
79.00009	0.6
82.06587	0.8
83.53728	0.5
84.04545	0.6
86.06100	0.6
86.09740	0.7
91.05487	1.4
96.04498	1.0
98.98486	1.2
100.07697	0.6
103.05503	2.5
110.09691	0.6
112.04779	0.7
114.05556	2.4
115.03979	0.8
115.05499	2.3
116.05814	2.2
117.07018	1.3
118.06554	1.7
119.08556	0.9
128.06250	0.7
128.07062	1.1
128.10754	1.5
131.04935	49.6
132.08087	2.1
143.04965	0.8
144.05615	2.1
144.08112	0.8
145.06505	3.6
146.05978	1.0
146.08112	0.8
147.08127	0.6
156.10117	0.9
156.17497	0.6
159.04425	100.0
160.05046	1.5
174.02768	3.0
174.06766	72.3
174.12672	6.5
174.18532	0.8
175.03940	1.3
175.07532	3.3
175.14745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0677
Annotation	Allidochlor
Peak:m/z	Relative Intensity
59.53363	0.3
70.55362	0.8
94.27917	0.3
98.20922	0.4
103.05464	2.1
114.05561	0.6
115.05464	1.4
116.06259	1.2
117.07022	0.6
128.10727	0.6
129.06989	0.4
131.04941	37.4
132.08101	0.6
143.04933	0.4
144.05753	2.5
145.06506	1.7
146.07144	0.4
157.04315	0.4
159.04428	100.0
160.05095	2.1
171.50595	0.3
174.06778	59.1
174.12640	2.4
175.07564	3.2
181.40309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0677
Annotation	Allidochlor
Peak:m/z	Relative Intensity
59.02416	0.4
60.05654	1.2
67.82893	0.4
69.54698	0.4
70.06600	4.8
70.97198	0.9
71.04987	0.5
82.06625	0.8
91.05508	0.6
92.90703	0.4
98.98483	0.8
103.05472	3.6
105.03378	0.4
105.86827	0.4
114.05540	14.2
115.03930	0.6
115.05455	1.0
116.06342	0.5
116.07067	0.7
117.07020	1.0
118.06564	0.9
118.37700	0.4
128.07114	0.7
128.10721	0.6
128.17873	0.4
131.04939	45.1
132.05284	0.6
132.08060	0.4
143.04887	0.4
144.05688	2.2
145.06474	2.4
146.06010	1.4
150.09894	0.4
155.06052	0.4
159.04431	100.0
160.04915	1.4
174.06779	64.9
174.12671	3.1
174.18527	0.5
175.03996	0.6
175.07356	1.3
175.11942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.01580	0.5
51.92764	0.3
53.03951	1.5
55.05515	12.6
55.94094	0.3
57.07075	1.1
59.05005	1.3
59.52437	0.4
65.03939	1.0
67.05511	15.2
69.07085	2.3
69.20562	3.6
70.06571	0.5
71.04996	0.3
72.93382	0.4
72.93799	1.1
77.03922	0.4
77.55529	0.4
79.05500	16.7
81.07066	14.4
81.07530	0.9
83.04988	4.3
86.06058	0.4
90.90388	5.1
90.94837	1.0
91.05488	28.4
93.07052	22.6
95.04979	1.3
95.08615	6.9
100.11253	1.0
101.06032	3.0
103.03291	0.5
103.05475	1.6
105.07040	17.2
107.08604	5.7
111.04451	6.1
113.06039	0.7
114.05545	1.3
115.05460	19.8
116.06299	2.6
116.06974	0.5
117.07029	51.3
118.06568	0.5
118.07816	6.7
119.08588	13.7
127.03885	0.4
127.07577	0.7
128.06267	0.9
128.14377	1.0
129.05522	1.6
129.07001	5.8
130.07793	2.9
131.08578	82.5
131.93004	2.0
132.08015	0.5
132.09436	2.5
143.04942	8.0
143.05992	0.7
143.08578	3.4
144.05690	1.1
144.09349	2.8
145.06496	3.0
145.10136	41.7
146.05983	0.9
149.94067	5.0
149.96042	0.5
155.05984	0.6
155.07057	5.0
155.08521	1.3
158.07288	1.8
158.10928	2.5
161.05914	0.6
171.11676	1.9
172.95659	1.1
173.04712	0.5
173.05965	9.8
173.08171	7.5
173.09653	3.9
173.13277	100.0
174.12636	0.6
174.13725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0599
Annotation	1-Hydroxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
55.05506	1.7
63.99226	0.3
69.34240	0.3
70.79895	0.8
72.08157	0.5
72.93819	0.4
83.04981	2.0
90.90397	0.7
91.05483	1.3
100.07632	0.3
100.11253	1.1
101.06019	1.3
103.05493	1.9
105.07040	0.5
111.04432	2.2
112.74147	0.3
114.05474	0.4
115.05467	31.9
117.07030	5.4
127.05438	3.9
127.09512	0.6
128.14363	0.9
129.05502	0.5
131.08594	1.5
131.93002	0.4
138.64630	0.3
143.04939	13.8
144.09344	0.4
145.06503	11.6
145.07655	0.6
145.10100	0.7
147.04471	0.5
149.94032	1.0
155.03581	0.4
155.04919	5.6
155.06058	2.3
155.07079	1.4
155.08237	0.3
158.10968	0.5
161.05971	1.0
173.05997	100.0
173.08092	3.5
173.13255	1.5
174.06462	1.5
184.07541	0.7
194.77112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0963
Annotation	Palutropone
Peak:m/z	Relative Intensity
53.03932	0.9
55.05512	2.6
65.03925	0.4
66.46609	0.3
67.05508	0.5
70.01381	1.2
72.93774	0.6
76.79330	0.4
77.03909	0.5
78.68998	0.3
79.05492	2.3
79.87960	0.3
83.04993	2.3
87.04462	0.5
90.90354	1.6
91.05485	3.6
94.96455	0.3
95.04961	0.7
98.21456	0.4
101.05998	1.9
103.03214	0.4
103.05450	1.4
105.03352	0.4
105.04539	0.3
105.07037	10.9
107.04950	2.7
107.91047	0.4
108.43013	0.3
111.04454	3.6
115.05463	10.6
116.06303	0.7
117.07027	9.2
127.07578	0.5
128.06215	3.3
129.05534	0.6
129.07018	7.8
130.07800	10.0
131.04927	3.1
131.08571	2.2
131.92981	1.5
132.05714	1.1
133.06447	0.5
137.05855	0.5
143.04971	2.4
143.08583	2.7
144.05725	5.6
145.06499	15.9
145.07646	0.9
145.10135	25.8
146.10519	0.6
149.94017	1.7
153.07011	5.0
154.07774	2.7
155.06032	1.9
155.07196	2.3
155.08559	47.3
156.08902	0.7
157.06493	3.9
158.07285	65.9
159.04401	2.7
159.07635	0.8
172.47565	0.4
173.06175	3.8
173.08333	4.8
173.09633	100.0
173.17274	1.1
174.06769	1.5
174.09987	1.6
174.12901	0.4
183.09178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.06
Annotation	4-(Furan-3-yl)benzaldehyde
Peak:m/z	Relative Intensity
54.60827	0.3
55.05276	0.3
55.05518	3.3
63.02379	0.4
67.05505	0.6
67.39464	0.3
72.93781	1.1
77.03922	0.9
81.07056	1.0
83.04999	4.2
83.16574	0.3
85.02907	0.6
87.04482	0.3
89.02411	0.4
89.03926	1.5
90.90393	1.0
90.94840	1.1
91.05498	2.1
91.85066	0.3
95.08608	0.4
101.06020	3.5
103.05447	0.9
105.07045	2.8
109.10222	0.4
111.04449	6.3
111.53233	0.3
112.99098	0.5
113.06004	0.5
114.05525	0.4
115.05464	100.0
116.05740	0.8
117.07026	7.2
119.04927	0.5
119.08573	1.0
119.57088	0.4
127.07588	0.8
127.09521	0.5
129.04506	0.8
129.05472	1.7
129.07016	1.3
130.07791	0.7
131.04950	0.7
131.08583	7.1
131.92998	0.5
135.35089	0.3
143.04935	54.1
143.08562	1.8
144.05310	0.5
144.09364	0.6
145.06516	3.5
145.07578	0.5
145.10127	5.4
149.94031	1.1
149.96140	0.5
155.06058	0.5
155.07042	4.0
155.08537	1.0
158.07301	2.1
158.10924	2.4
159.04449	1.1
161.06030	1.6
173.02382	19.1
173.05994	55.8
173.08165	6.5
173.09639	8.4
173.13266	9.0
173.14709	0.6
174.06602	1.0
184.07574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0599
Annotation	1-Hydroxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
50.41043	0.5
55.05515	4.7
65.08974	0.5
71.52840	0.9
71.67805	0.6
72.08152	0.8
76.02192	0.7
83.04990	5.3
84.04575	0.7
90.90391	3.8
91.05528	1.8
99.04474	0.8
100.11286	2.7
101.06031	4.6
103.03294	0.7
103.05501	1.0
105.07016	0.9
111.04446	9.4
113.06035	0.6
114.05542	0.9
115.05461	100.0
116.05812	0.8
117.07031	6.6
118.06540	0.9
119.08556	0.9
127.05437	2.0
127.09501	1.4
128.14412	1.2
129.05476	2.2
131.08548	3.5
131.93024	1.0
143.04933	51.7
145.06537	6.2
145.07608	0.9
145.10139	1.9
149.94028	2.3
155.03456	0.9
155.04915	1.8
155.06013	1.3
155.07100	4.9
155.08310	0.9
158.07312	1.1
158.10872	0.9
160.21182	0.6
161.06018	2.5
173.05992	89.9
173.08157	8.6
173.09691	1.7
173.13280	5.5
174.06375	1.3
174.12852	0.7
178.81334	0.6
184.07600	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	173.06
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05281	0.4
55.05508	2.0
56.68681	0.3
59.05015	0.6
59.54695	0.4
68.76015	0.3
69.98559	0.8
69.98942	1.1
70.23740	0.3
80.41488	0.4
83.04980	1.8
87.37671	0.4
89.02370	0.4
90.90391	1.4
91.05508	0.9
99.00833	0.4
100.11266	1.1
101.06004	1.7
103.05476	1.1
105.07027	0.6
111.04427	3.1
112.06613	0.4
113.06068	0.4
115.05466	100.0
116.05795	0.9
116.78762	0.4
117.07034	5.8
119.08582	0.7
121.43761	0.3
127.09488	0.8
129.05473	0.5
130.06445	0.4
131.04892	0.9
131.08572	3.0
131.93004	0.7
143.04936	49.3
144.05251	0.9
145.06520	2.4
145.07576	0.6
145.10147	0.7
149.94072	1.6
155.05980	0.5
155.07050	1.7
159.04431	0.7
161.06013	2.0
173.05998	54.3
173.08124	3.3
173.09755	1.2
173.13268	4.0
174.06578	1.1
184.07635	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	173.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85866	0.3
55.05520	1.3
61.08073	0.3
66.34001	0.3
67.14955	0.4
69.65055	0.3
81.01851	0.4
83.04994	1.4
86.78336	0.4
90.90424	0.7
91.05496	0.9
99.04467	0.3
99.23646	0.3
100.11289	0.4
101.06015	1.3
103.05480	0.7
108.08381	0.3
110.38187	0.4
111.04461	2.1
115.05469	100.0
116.05783	0.9
117.07018	5.6
127.07578	0.5
131.04965	1.6
131.08566	1.7
143.04941	55.2
145.06505	3.8
149.94102	0.5
155.05981	0.7
155.07034	1.0
159.04449	2.1
161.06029	1.8
163.21515	0.4
173.06006	55.4
173.08316	1.5
173.13258	1.5
174.06705	2.5
174.12773	0.4
184.07637	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.06
Annotation	4-(Furan-3-yl)benzaldehyde
Peak:m/z	Relative Intensity
55.05520	1.8
59.05001	0.3
67.05522	0.3
69.78281	0.4
69.78639	1.2
72.01898	0.2
72.93779	0.6
77.03928	0.3
83.04980	1.7
89.03896	0.3
90.90386	0.7
90.94820	0.3
91.05476	0.6
98.21491	0.4
100.11310	0.2
101.06023	1.0
103.03270	0.3
103.05484	0.6
110.95590	0.2
111.04447	2.3
115.05463	100.0
116.05811	0.9
117.07026	3.8
127.07541	0.3
127.09448	0.3
129.04506	0.3
129.05499	0.5
131.04944	0.5
131.08592	0.8
131.93004	0.6
143.04935	53.1
144.05295	0.4
145.06496	1.8
145.10136	0.7
149.94040	0.5
149.96156	0.3
155.07062	1.9
158.07219	0.3
158.10951	0.4
161.06027	1.7
173.02505	3.1
173.05998	55.7
173.08104	2.2
173.13214	1.6
174.06386	0.9
177.00467	0.2
184.07599	1.2
194.58267	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0599
Annotation	4-(Furan-3-yl)benzaldehyde
Peak:m/z	Relative Intensity
52.18904	0.5
54.76595	0.5
55.01467	0.5
55.01855	0.4
55.05514	7.8
56.05053	0.5
57.60173	0.5
59.05003	1.3
67.05515	0.9
69.03434	0.7
69.66541	3.2
72.93797	1.5
79.05495	1.4
81.07067	0.5
83.04986	6.0
85.06538	0.6
89.79092	0.5
90.90386	11.5
90.94845	2.1
91.05486	2.1
98.21487	0.9
99.04487	0.7
100.11272	1.5
101.06015	5.3
103.03309	0.7
103.05458	1.1
105.07023	2.6
108.29417	0.5
108.91457	0.7
108.95909	0.6
111.04452	11.2
111.05210	0.7
113.05982	0.8
114.05541	1.5
115.05459	100.0
116.05774	1.5
117.07021	8.5
127.07578	1.1
127.09468	0.8
128.07155	0.5
129.05501	3.6
129.07004	1.1
131.04915	2.3
131.08585	3.2
131.92992	5.8
143.04927	56.0
144.05568	0.6
145.06500	6.5
145.10124	3.6
146.06012	0.9
149.94058	11.9
149.96060	1.1
155.03381	0.8
155.05952	1.1
155.07057	9.6
155.08380	0.6
158.07280	1.6
158.10919	0.9
159.04414	3.5
161.05986	2.1
167.97203	0.6
172.95670	1.6
173.05983	56.4
173.08160	10.1
173.09637	4.0
173.13220	3.1
174.06729	2.0
174.12827	0.5
184.07637	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
67.05498	0.3
70.68562	0.9
83.04991	0.9
90.90383	0.9
90.94839	0.4
91.05489	0.4
101.06007	1.0
102.56025	0.3
102.70568	0.3
103.05468	1.0
111.04441	1.0
115.05463	100.0
116.05791	1.1
117.07022	4.3
131.08572	0.8
143.04935	55.6
145.06503	2.5
145.10153	0.3
149.94067	0.6
154.07730	0.4
155.05954	0.4
155.07069	0.8
155.08533	1.1
158.07240	0.7
159.04448	0.4
161.05983	1.9
173.05997	53.4
173.13245	1.1
174.06401	0.7
184.07494	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99501	0.5
55.05514	2.0
65.80777	0.5
70.64796	1.2
72.08146	0.9
79.40217	0.6
83.04980	1.3
85.32081	0.5
90.90346	0.9
91.05470	1.4
97.26151	0.7
98.98473	0.9
100.11248	3.2
101.05973	1.2
103.03278	0.6
103.05436	0.7
103.79662	0.7
105.04537	0.6
105.07025	1.0
107.37618	0.6
108.66720	0.6
108.91405	0.6
111.04472	2.2
113.06032	0.6
115.05462	100.0
116.05766	1.4
117.07026	6.2
118.06558	1.0
127.07549	0.6
128.14351	2.2
129.05476	1.3
131.08580	3.8
131.92973	1.2
143.04932	51.4
145.06458	1.9
145.07570	1.2
145.10150	1.3
146.06056	0.9
149.94067	1.9
155.07060	2.0
158.10924	0.9
161.05975	3.5
173.05986	60.5
173.08124	3.4
173.13220	2.5
174.06369	0.7
174.12778	1.0
184.07600	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	173.06
Annotation	4-(Furan-3-yl)benzaldehyde
Peak:m/z	Relative Intensity
51.13354	0.3
55.05507	1.0
72.08167	0.4
74.74969	0.3
76.66085	0.3
83.04990	0.6
91.05488	0.7
98.98495	0.5
100.07659	0.3
100.11262	1.3
101.06006	0.8
102.49748	0.3
103.03302	0.3
103.05492	0.6
105.07093	0.4
105.29306	0.3
111.04457	0.8
114.05548	0.5
115.05463	100.0
116.05807	1.2
117.07026	5.9
118.06570	0.4
123.85612	0.3
127.48952	0.3
128.14357	0.9
129.05466	0.4
131.04967	0.4
131.08560	1.1
143.04933	47.4
144.05293	0.7
145.06479	1.1
145.07570	0.4
149.94060	0.7
155.07033	0.8
158.10918	0.4
161.06007	2.7
173.05995	57.5
173.13286	1.3
174.06345	0.8
174.12723	0.6
184.07578	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	173.0599
Annotation	4-(Furan-3-yl)benzaldehyde
Peak:m/z	Relative Intensity
53.92296	0.2
55.05511	0.4
55.64015	0.2
56.13715	0.2
58.85771	0.2
66.37109	0.2
70.74185	0.5
83.04980	0.3
90.90387	0.8
91.05482	0.5
101.06025	0.2
103.05481	0.7
111.04446	0.6
114.04651	0.2
115.05457	100.0
116.05782	1.0
117.07021	5.0
131.04944	0.6
131.92995	0.5
143.04927	53.9
144.05295	0.6
145.06482	2.1
145.10100	0.2
149.94046	0.6
159.04419	0.9
161.06015	1.6
173.05989	51.2
174.06509	0.8
184.07617	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.06
Annotation	4-(Furan-3-yl)benzaldehyde
Peak:m/z	Relative Intensity
50.96484	0.3
55.05510	1.0
58.43975	0.3
63.02375	0.3
70.88043	0.7
83.04984	1.2
90.90391	1.1
91.05457	0.5
96.25394	0.3
98.98473	0.4
100.11263	0.3
101.06027	0.6
103.05473	0.6
110.69806	0.3
111.04443	0.9
115.05463	100.0
116.05802	0.8
117.07027	5.1
118.06509	0.3
119.08604	0.3
129.05550	0.5
130.06538	0.3
131.04918	0.8
131.08592	0.6
143.04932	47.7
144.05243	0.5
145.06494	1.5
145.07481	0.4
145.10159	0.3
148.47049	0.3
149.94067	0.9
155.07047	0.7
159.04408	1.0
161.05939	1.8
161.27425	0.3
173.05995	52.4
173.08083	1.6
173.13210	0.9
174.06532	1.3
184.07578	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.06
Annotation	4-(Furan-3-yl)benzaldehyde
Peak:m/z	Relative Intensity
55.05512	1.1
59.05012	0.3
71.52657	0.3
80.50156	0.3
83.04984	1.3
90.90388	1.1
91.05486	0.3
98.98474	0.3
100.11265	0.8
101.06048	0.7
103.05480	0.5
105.07029	0.5
111.04430	1.5
114.05527	0.4
115.05466	100.0
116.05827	0.9
117.07020	5.7
129.05475	0.3
131.04901	0.3
131.08571	0.8
131.93004	0.6
143.04939	45.7
144.05217	0.3
145.06488	1.2
145.07518	0.3
145.10139	0.7
149.94069	0.7
155.05965	0.4
155.07065	1.1
161.06026	2.1
173.06000	59.1
173.08101	1.6
173.13283	0.8
174.06352	0.9
184.07603	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
61.99427	0.3
63.02369	0.3
69.66726	0.7
69.67143	0.7
79.05492	0.4
83.04969	0.7
88.07652	0.4
89.03954	0.3
89.70535	0.3
90.90390	1.7
91.05482	0.6
100.49461	0.2
101.06017	0.8
103.05497	0.8
105.07042	0.3
111.04457	1.1
115.05463	100.0
116.05791	1.3
117.07027	5.4
127.09506	0.3
131.04947	0.8
131.93018	0.8
143.04933	55.8
144.05339	0.4
145.06496	2.4
149.94043	1.5
155.05931	0.4
155.07059	0.8
159.04440	0.9
161.05983	1.2
173.05994	51.6
173.17342	2.3
174.06534	1.3
184.07529	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.06
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75342	0.3
55.05513	1.4
59.04996	0.3
67.05509	0.8
67.95319	0.3
70.96708	0.6
72.93787	0.6
79.80181	0.3
83.04986	2.0
89.03931	0.4
90.90411	0.8
90.94830	0.7
91.05499	0.6
100.11262	0.3
101.06030	1.3
103.05485	1.0
105.07030	0.3
109.10219	0.3
111.04452	2.6
113.05987	0.3
115.05466	100.0
116.05804	0.9
117.07032	5.6
127.07626	0.4
129.05482	0.5
131.04915	0.6
131.08577	1.0
131.92992	0.5
143.04936	50.1
144.05324	0.6
145.06508	2.4
145.10139	0.8
149.94073	0.9
149.96141	0.6
155.07065	1.6
158.07196	0.4
159.04475	0.4
159.66566	0.3
161.06013	2.8
173.02405	1.8
173.06000	58.3
173.08109	2.7
173.09630	1.2
173.13187	1.5
174.06355	0.7
174.12802	0.3
184.07628	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.05515	5.3
55.65872	0.5
59.05008	0.9
67.05493	1.1
67.17831	0.5
68.29269	0.6
70.06572	0.5
71.52248	0.7
72.93776	1.8
79.05505	3.9
81.07044	0.8
83.04994	6.6
87.04447	0.7
89.02385	0.7
90.90394	3.4
90.94847	1.4
91.05509	3.6
100.11272	1.1
101.06041	4.1
103.05460	1.3
105.07037	5.8
107.04966	4.1
110.63290	0.6
111.04455	9.9
113.05987	0.9
114.05518	0.9
115.05464	100.0
117.07023	12.8
117.09998	0.5
118.08667	0.8
127.07557	0.8
127.09492	1.0
128.06232	1.9
129.04546	0.8
129.05484	2.5
129.07048	4.8
130.07817	5.2
131.04929	4.0
131.08556	3.7
131.93031	2.3
133.06509	1.0
143.04941	42.5
143.08577	2.2
144.05730	6.3
145.06502	19.5
145.07637	1.1
145.10139	17.8
149.94070	4.0
149.96133	0.6
153.07051	3.9
154.07858	1.4
155.03468	0.9
155.06013	2.6
155.07088	6.4
155.08569	30.3
157.06497	1.6
158.07292	37.7
159.04439	2.9
161.06007	2.6
173.02452	0.8
173.04453	1.4
173.06009	49.1
173.08179	10.7
173.09618	68.3
173.13150	4.5
173.17291	0.9
174.06706	2.5
176.37646	0.6
184.07541	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.06
Annotation	4-(Furan-3-yl)benzaldehyde
Peak:m/z	Relative Intensity
51.02383	0.8
53.03952	0.5
54.32387	0.4
55.01855	0.4
55.05514	6.6
59.04994	1.6
65.03934	0.4
67.05501	1.1
69.03439	0.3
70.06575	0.4
71.04992	0.4
71.52266	0.6
72.08146	0.4
72.93781	1.9
75.02364	0.4
77.03941	1.7
79.05514	0.4
80.40465	0.4
81.07049	1.0
83.04987	7.4
84.08136	0.4
85.06578	0.4
87.04490	0.5
89.02388	0.6
89.03904	2.3
90.37761	0.4
90.90401	2.3
90.94838	2.2
91.05486	3.3
95.04991	0.8
99.04440	0.4
101.03915	0.5
101.06017	5.6
102.05529	0.4
103.03326	0.5
103.05473	1.4
105.07050	3.4
111.04440	10.2
113.05994	0.8
114.05533	0.7
115.05460	100.0
116.05761	0.6
117.03378	1.0
117.07029	9.1
118.06564	0.6
119.04936	0.9
119.08551	2.7
127.07553	0.7
127.09506	1.4
128.06198	0.8
129.03415	0.7
129.04485	1.4
129.05492	3.1
129.06993	2.1
130.06522	0.4
130.07777	1.7
131.04936	1.4
131.08577	9.5
131.92992	0.9
133.10120	0.4
143.04932	48.8
143.08549	4.0
144.05299	0.5
144.09370	1.0
145.02884	1.0
145.06522	5.6
145.07629	0.9
145.10129	11.0
149.94064	2.4
149.96111	1.2
155.05968	1.3
155.07051	5.4
155.08553	2.5
157.03993	0.9
158.07285	4.5
158.10915	6.7
159.04411	2.8
161.06015	3.0
167.97194	1.0
173.02365	34.9
173.05984	57.3
173.08153	10.1
173.09636	24.3
173.13264	25.6
174.06676	2.5
174.10056	0.7
184.07533	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.06
Annotation	4-(Furan-3-yl)benzaldehyde
Peak:m/z	Relative Intensity
53.30806	0.4
55.05516	3.5
57.92221	0.4
59.05002	0.5
67.05515	0.7
69.28963	0.4
69.55634	2.1
70.06612	0.5
72.08163	0.4
72.93802	0.8
76.17614	0.3
79.05528	0.3
81.07061	0.3
83.04990	3.6
87.04443	0.4
89.24401	0.3
90.90389	3.7
90.94858	0.4
91.05480	1.0
99.04417	0.5
100.11259	1.0
101.06025	2.9
103.03265	0.5
103.05466	1.0
103.70380	0.3
104.87238	0.4
105.07013	0.7
111.04454	4.9
114.05520	1.2
115.05466	100.0
116.05809	1.0
117.07026	5.3
118.06602	0.6
127.07585	0.8
128.14372	0.6
129.05487	1.5
131.04974	0.6
131.08571	2.0
131.92978	1.9
140.21814	0.4
143.04938	53.3
144.05333	0.6
144.09367	0.4
144.52815	0.4
145.06517	2.9
145.07568	0.5
145.10141	1.1
146.06114	0.4
149.94073	4.1
155.06039	0.5
155.07088	4.4
158.10884	0.4
161.05959	2.6
172.95654	0.8
173.05994	49.5
173.08231	6.0
173.09669	1.4
173.13280	2.7
173.88617	0.3
174.05406	0.3
177.89655	0.4
184.07587	2.5
194.86342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.06
Annotation	4-(Furan-3-yl)benzaldehyde
Peak:m/z	Relative Intensity
50.34289	0.4
50.68965	0.3
55.05508	2.7
59.04988	0.5
67.05504	0.9
71.53183	0.4
72.08144	0.3
79.05483	1.0
81.07058	1.3
83.04998	2.8
85.02901	0.3
90.90393	3.0
91.05495	3.2
93.07067	0.7
95.08607	0.6
98.98465	4.5
100.11262	1.3
101.06013	1.8
103.03338	0.6
103.05479	0.9
105.07036	1.9
107.08575	0.5
107.61541	0.3
111.04434	3.8
114.05527	1.1
115.05460	100.0
116.05773	0.7
117.07031	8.7
119.08585	1.4
127.07567	0.4
128.14355	1.2
129.05531	0.8
129.06995	1.1
130.12210	0.4
131.08578	9.1
131.92990	1.4
143.04932	47.4
143.08563	0.9
144.09314	0.5
145.06499	1.8
145.07527	0.4
145.10136	4.7
146.06004	0.5
149.94069	2.8
155.06024	0.5
155.07069	3.3
155.08284	0.5
158.10924	0.7
161.05986	2.5
172.95645	0.8
173.05988	57.3
173.08168	4.5
173.09648	1.2
173.13261	13.1
174.06424	0.6
180.15219	0.4
184.07559	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	172.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.5
56.96590	1.2
57.07072	3.8
67.05510	3.4
69.03452	1.0
69.05820	1.4
69.07074	20.5
70.02958	12.0
70.06587	3.5
71.04978	1.5
72.04473	1.0
72.08151	3.5
72.93799	2.1
75.72684	0.9
79.78028	0.9
81.07050	3.7
82.06584	1.1
83.04984	4.6
83.07381	1.5
84.04517	1.5
84.08151	17.1
85.06529	2.1
86.02426	1.4
86.09714	100.0
87.00824	11.5
90.94849	2.7
91.05482	1.6
93.25327	0.9
94.06562	1.9
94.07397	1.5
95.08601	2.8
96.08970	1.0
98.02420	5.0
98.06080	1.7
98.09724	1.1
98.97594	2.8
101.06006	1.5
103.05477	1.4
104.03477	22.3
109.10175	1.6
111.04459	3.8
112.03975	41.1
112.04768	2.0
112.07621	15.7
115.05448	1.1
116.03468	19.5
116.07039	1.0
126.05602	2.1
126.09165	46.3
128.02350	1.5
130.04892	1.0
130.08656	1.3
131.08585	4.5
134.56186	0.8
136.12007	1.1
144.05667	1.8
144.08081	2.3
145.06544	1.2
145.10155	1.0
154.08681	4.6
154.13260	1.1
155.07059	2.5
158.10997	1.2
171.04366	1.0
171.99019	1.4
172.05130	1.6
172.07527	2.0
172.09723	20.5
172.11044	1.0
172.13399	1.3
172.15370	1.2
172.17029	2.2
173.05867	1.2
173.08223	5.3
173.13264	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	171.1381
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
53.03950	0.8
55.01878	0.9
55.05516	20.2
56.50259	0.7
57.03441	1.6
57.07082	8.5
59.05011	4.2
61.11964	0.7
65.03955	0.9
67.05511	7.2
68.99790	0.8
69.03439	2.9
69.07075	100.0
69.29990	2.4
69.30413	4.2
70.07398	1.1
71.04993	2.4
71.08628	3.6
72.04524	12.7
73.06562	2.7
79.05510	3.1
81.07060	15.0
83.04989	3.9
83.08627	21.1
84.04492	1.0
85.02901	0.8
85.06501	0.9
89.07157	12.0
91.05509	2.5
93.07056	15.3
95.08617	16.0
97.06548	18.6
97.10220	1.3
99.08096	0.9
100.11284	0.8
100.53178	0.7
101.06041	2.1
107.08607	16.6
107.09297	1.2
109.10164	13.7
109.10841	1.1
111.04467	3.1
111.08086	5.1
111.11732	26.9
113.09644	1.3
115.05486	2.4
115.07584	2.0
125.06013	1.1
125.13303	2.5
126.09195	1.0
128.06268	3.4
129.07024	1.5
135.11703	17.2
139.00317	0.9
139.03946	2.0
141.07062	1.6
143.04933	2.1
143.08611	3.8
149.87225	0.9
153.12766	17.6
156.09366	5.4
171.02992	0.7
171.04358	1.6
171.05673	2.0
171.08058	4.3
171.10345	1.3
171.11687	5.5
171.13797	1.3
171.14980	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	172.097
Annotation	Amphorogynine D
Peak:m/z	Relative Intensity
53.46267	0.8
55.01874	7.3
55.05517	31.5
56.96562	6.8
60.59442	0.9
63.97760	1.0
67.05499	1.0
69.37232	6.0
70.06590	3.5
72.04532	5.3
72.08163	91.9
72.93797	1.3
73.02931	7.8
81.07063	0.8
82.02943	1.9
82.06617	0.9
83.04998	2.6
84.04513	2.6
84.08129	3.1
85.02930	1.5
86.98064	0.8
89.00738	1.1
90.01579	1.5
90.94881	1.2
92.96964	1.1
97.02902	1.4
98.06066	3.2
98.09745	1.1
98.96934	1.6
98.97594	25.7
100.03990	56.8
101.02393	23.1
101.06030	1.4
108.08130	1.2
109.98978	1.2
110.01288	2.4
111.04446	1.7
112.03989	3.5
112.18399	0.9
116.98624	6.0
119.01800	6.7
126.09169	17.7
128.02333	12.1
128.98639	1.0
130.52672	1.0
130.96306	2.7
131.96210	0.9
137.02835	1.4
139.53059	2.5
148.97415	2.3
152.98688	1.5
153.97862	1.1
154.08646	100.0
155.06029	1.1
155.09061	1.2
158.99663	11.2
172.03928	1.2
172.06375	1.2
172.09715	40.3
173.07130	3.0
173.08395	1.4
177.00679	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	171.1381
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
51.89477	1.6
53.03940	2.1
55.05513	23.2
57.03437	3.3
57.07071	6.8
58.76315	2.0
59.04992	5.4
65.03941	2.2
67.05494	7.4
67.97704	2.0
69.03446	2.6
69.07072	30.0
69.67993	9.8
71.04997	55.6
72.04519	10.6
73.06557	15.4
79.05497	25.7
81.07062	100.0
83.04980	4.4
83.08628	11.1
85.06548	27.2
85.13746	1.8
89.07143	9.8
91.05466	5.5
93.07047	48.3
95.08611	12.5
97.06532	13.5
99.08110	3.3
105.07012	2.7
107.08598	40.2
109.10160	19.9
111.04459	3.7
111.08090	4.8
123.11702	31.9
125.05972	1.8
125.09657	2.9
127.11223	3.4
135.11693	56.5
139.03951	2.2
141.12746	48.0
143.08649	1.9
153.12756	50.0
156.09360	3.6
171.08046	2.5
171.11774	4.8
171.13786	6.6
171.14983	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	171.1382
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
50.53793	1.6
53.03960	3.6
55.01888	1.7
55.05517	14.8
57.03453	2.0
57.07070	4.8
59.05001	10.1
65.03949	2.0
65.38100	1.5
67.05516	11.1
67.14565	1.6
69.07079	18.4
69.79881	7.5
70.06598	2.2
71.05003	92.4
71.08574	1.8
72.04531	20.7
73.06567	23.3
79.05500	20.4
80.95266	1.8
81.07069	100.0
83.04991	4.3
83.08620	11.9
84.04501	3.4
84.24442	1.8
85.06557	12.3
86.09703	3.5
89.07178	16.0
91.05488	4.1
93.07055	53.3
95.08633	16.1
97.06553	18.9
107.08606	41.9
109.10177	16.6
111.04443	4.5
111.08099	5.5
115.05473	2.2
119.08609	2.0
123.11736	37.2
125.06076	3.2
126.09167	2.2
128.06224	3.3
135.11710	70.5
141.12761	64.0
141.13872	3.9
143.08653	3.2
153.12766	64.0
156.09373	11.2
163.51060	1.8
171.05507	4.8
171.08069	5.5
171.11632	8.3
171.13565	8.1
171.15067	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	171.1382
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
50.32236	3.3
53.12111	3.0
55.05312	3.0
55.05519	33.1
57.03444	6.0
57.07069	6.4
59.05010	6.4
67.05513	6.5
67.64806	3.4
69.03434	6.2
69.07076	100.0
69.56679	22.0
70.06592	3.8
71.04986	8.1
71.08630	3.1
72.04529	64.2
72.08149	13.8
73.06588	4.8
75.09956	3.1
79.05502	9.2
81.07069	30.7
83.04984	7.7
83.08621	34.0
84.04506	4.2
85.02917	5.6
89.07163	52.5
91.05549	3.4
93.07038	22.8
95.08620	20.5
97.06532	12.8
97.10181	3.6
98.20785	7.0
98.97624	3.7
100.07602	3.5
100.11266	3.6
105.07104	2.9
107.08593	21.1
109.10154	15.8
111.04456	9.5
111.08107	9.9
111.11731	25.0
115.05466	9.4
124.47402	3.1
126.09138	10.4
128.06236	12.3
129.07050	4.9
135.11720	18.6
139.03911	8.9
141.06978	3.7
143.08556	21.2
153.12720	21.4
156.09390	16.8
163.61195	3.3
171.02982	4.6
171.04382	7.4
171.05627	4.9
171.08040	15.7
171.10173	5.8
171.11755	28.9
171.13591	5.0
171.14929	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.00553	2.5
53.03944	5.7
55.01857	9.0
55.05513	45.1
57.03427	11.1
57.07072	5.4
59.04989	8.3
62.48125	2.8
65.03934	5.2
67.05515	18.5
67.70410	2.5
68.99799	21.3
69.03415	2.9
69.07069	59.8
69.47113	10.2
69.47527	9.4
71.04998	69.0
72.04519	33.4
72.08153	5.2
73.06559	20.0
79.05502	23.4
81.03385	2.8
81.06590	5.3
81.07059	100.0
83.04982	11.8
83.08617	22.4
85.02911	33.9
85.06544	27.5
88.14748	2.7
89.07136	21.7
91.05467	10.8
93.07047	60.3
95.04931	5.4
95.08586	27.9
97.02908	2.7
97.06537	30.4
98.20750	3.7
103.05471	2.4
104.43034	2.8
107.08592	62.5
109.10158	37.9
111.00826	5.9
111.04442	12.3
111.08085	28.5
111.46323	2.5
113.02385	2.7
123.11714	41.8
125.05946	3.7
125.09638	5.4
127.11221	5.6
128.06184	6.9
135.11697	68.9
139.00214	4.7
139.03885	5.7
141.12743	55.1
143.08568	6.4
153.09071	6.4
153.12741	75.6
156.09361	9.8
171.02957	6.5
171.04245	3.6
171.05528	6.4
171.08110	9.0
171.10172	4.2
171.11636	8.9
171.13669	13.0
171.15041	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88593	31.4
68.38799	34.3
70.27489	100.0
70.27883	85.6
97.87523	39.7
101.09988	31.5
110.60727	39.8
112.89589	40.0
131.93765	42.2
173.45898	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0654
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
53.03946	0.4
55.01879	2.5
55.05512	3.3
56.96569	0.8
65.03944	19.7
67.05507	2.1
68.02648	0.4
68.99799	7.3
69.03438	1.8
69.07083	0.5
69.96597	1.2
69.97019	0.7
70.06595	0.5
71.01382	0.4
72.04522	3.1
72.08165	0.4
79.05479	0.8
81.03424	2.7
81.07050	0.9
83.01345	0.7
83.04990	9.3
83.08617	1.0
84.76027	0.4
85.02912	0.9
86.09724	0.5
89.07157	2.2
90.31745	0.3
93.03416	10.5
96.02103	1.0
97.02897	1.1
97.06579	0.7
98.21529	0.4
107.04947	0.5
109.02882	0.5
110.03666	0.7
111.04451	69.3
112.04755	0.9
113.96352	0.4
121.02928	1.1
121.04002	7.9
125.05981	0.5
126.09200	0.6
127.03915	0.4
129.53682	0.6
135.04510	0.5
138.54164	0.6
139.03912	100.0
140.04268	0.6
144.71321	0.4
147.54637	0.5
153.04445	1.0
171.02916	0.5
171.06628	9.0
171.08025	0.9
171.11760	0.5
171.14917	2.4
192.23875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1541
Annotation	Nitramine
Peak:m/z	Relative Intensity
55.05513	15.0
55.93517	1.9
56.05036	11.2
56.96553	4.1
57.03437	2.6
57.07088	6.0
58.06585	1.8
59.04993	5.3
60.04520	2.6
60.99745	1.0
61.45169	1.2
66.82896	1.0
67.05505	21.0
68.05011	1.4
69.07072	71.9
70.06580	4.5
70.64851	2.2
70.65173	1.4
71.05019	1.4
72.04520	5.7
72.08147	3.0
74.06074	10.2
79.05482	5.1
80.05005	1.5
81.03402	2.3
81.05786	1.4
81.07059	43.6
82.06573	4.8
83.07333	1.3
83.08621	8.8
84.04514	2.1
84.08127	3.2
85.66175	1.3
86.06056	1.7
88.07622	2.3
89.07150	4.6
91.05470	1.6
92.04990	2.3
93.05781	4.7
93.07030	8.0
94.06587	1.4
95.08611	69.8
96.08129	7.4
98.05997	1.5
98.09685	4.8
100.07619	4.1
106.06548	3.7
107.08585	3.4
108.08146	1.2
109.10165	4.3
110.06068	2.5
110.09673	4.3
111.10454	5.0
111.11724	7.0
112.07638	2.8
112.11245	15.5
114.09174	8.6
115.05440	1.6
124.07623	6.1
124.08443	1.5
125.06117	1.1
128.07069	1.8
128.95090	6.9
129.07007	4.3
134.05986	1.4
137.13255	9.5
142.08646	3.2
146.96123	4.2
147.00729	1.8
152.07080	3.6
152.14348	5.9
170.05965	2.0
170.08124	11.2
170.09665	14.1
170.11852	2.8
170.15413	100.0
171.08095	1.6
171.11739	2.2
171.14865	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	170.1541
Annotation	Nitramine
Peak:m/z	Relative Intensity
55.05513	5.1
55.93541	0.8
56.05037	6.8
56.96559	3.2
57.03445	3.9
58.06590	1.1
59.05011	0.9
63.18792	0.5
65.06028	0.7
67.05507	24.7
68.05003	0.7
69.07075	5.2
69.85200	3.5
70.06590	3.4
71.52876	0.6
72.04520	3.0
72.08148	1.2
74.06084	18.0
79.05496	1.3
80.05026	1.2
81.07062	6.9
82.06618	0.8
83.05003	0.9
83.08611	1.3
84.04502	1.1
89.07178	1.8
91.05475	0.8
92.05023	1.4
93.05794	1.8
93.07048	6.1
95.08611	100.0
96.08136	1.7
96.08927	1.3
98.06105	1.2
106.06563	1.6
107.08595	1.0
109.10176	2.2
110.06066	1.2
111.04463	0.8
111.11787	0.6
112.07635	1.3
112.11253	15.4
124.07582	3.9
125.05971	1.1
126.05494	1.0
128.07072	1.2
128.95076	3.1
137.13266	5.7
142.08650	1.9
146.96143	2.2
147.00803	0.7
152.07095	2.7
153.05429	0.7
168.40300	0.8
170.05981	1.3
170.08118	6.2
170.09662	6.9
170.11783	2.7
170.15411	86.9
171.14771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01868	2.7
55.05513	7.3
55.93516	4.1
56.05028	1.4
56.96572	18.0
57.03413	2.0
58.06590	1.5
65.03937	1.4
67.05487	1.9
67.80737	1.2
68.05021	3.6
69.03436	7.4
69.07067	3.5
70.06598	55.1
71.04994	6.0
71.51243	1.7
72.04504	4.2
72.08158	8.1
72.93790	1.3
73.02908	4.2
79.05482	5.5
80.05010	3.7
81.03414	2.9
81.07052	3.5
82.06577	4.0
83.04966	1.8
83.08625	1.4
84.04488	2.9
84.08152	6.8
84.96034	3.9
85.02886	4.0
86.06007	1.8
88.96918	2.6
91.05470	5.7
92.04991	3.6
93.05791	4.8
93.07052	9.0
95.04952	4.1
96.04499	1.7
96.08134	14.3
97.02888	3.4
97.06529	2.5
98.06046	1.4
98.97575	13.2
100.07619	4.3
103.05476	8.4
106.06541	4.4
107.04977	2.4
107.08620	1.9
108.04491	1.8
108.08121	1.8
110.06062	8.2
110.97565	5.2
111.04443	2.5
112.04781	2.0
112.07610	4.0
114.09109	2.2
115.05463	31.6
116.98625	6.8
119.02584	1.9
121.05670	2.3
121.06517	40.7
124.07606	24.7
124.11241	40.6
124.12069	1.4
125.05959	2.3
126.05494	1.7
126.09158	2.1
127.02260	1.2
128.03113	2.0
128.07079	11.8
128.95113	10.5
128.98599	6.6
134.06020	6.1
138.02917	1.2
142.06563	19.5
142.08638	18.1
142.12248	4.5
143.00172	3.2
146.96126	8.0
146.97339	2.4
146.99628	5.2
152.07085	28.9
152.10721	3.6
158.99673	3.8
160.07498	1.5
161.01224	4.5
163.07588	2.9
170.04359	4.3
170.06020	100.0
170.08133	46.8
170.09592	15.4
170.11771	94.9
170.15431	3.8
171.05438	1.9
171.14967	2.9
177.00679	2.3
179.04601	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	169.1225
Annotation	5-Methyl-2-methylene-4-vinyl-5-hexene-1,3-diol
Peak:m/z	Relative Intensity
53.03939	4.6
55.01867	1.9
55.05499	5.9
56.96564	4.0
57.03436	3.7
57.07064	2.9
59.05006	77.2
65.03931	2.6
67.05505	13.7
69.03420	5.1
69.07059	5.6
69.76859	8.2
71.04993	12.4
74.77291	1.7
76.10188	1.4
79.05136	1.8
79.05496	21.0
81.03415	2.2
81.07063	100.0
83.04977	3.5
83.08606	5.0
85.06534	2.1
87.04471	22.2
87.54726	1.6
89.06017	4.2
91.05494	11.8
91.05992	2.1
93.03362	2.1
93.06487	3.1
93.07052	53.5
95.04983	7.2
95.08605	12.4
97.06550	2.5
98.21421	3.3
99.04449	2.9
99.74606	1.6
105.07040	41.1
107.08602	7.7
109.02876	4.9
109.06527	14.5
109.10169	14.4
111.00834	1.7
111.04482	3.9
111.08088	10.2
113.06042	2.6
121.10107	7.6
123.04469	3.0
123.08078	6.7
123.11722	19.2
124.04652	2.2
124.07548	1.9
125.05994	2.8
126.03111	2.5
127.03963	1.8
130.71494	1.5
133.10146	13.6
141.05521	11.2
151.03918	2.9
151.07509	2.4
151.11203	26.0
152.03358	1.5
163.97636	1.8
169.04984	6.2
169.06325	2.4
169.10085	4.3
169.12233	6.2
170.09593	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	169.1226
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
50.98963	1.7
53.03967	2.1
55.05524	12.6
57.03449	2.1
57.07082	4.8
59.04999	8.2
65.03950	7.8
67.05514	25.8
69.03427	3.7
69.07087	12.1
70.03323	6.3
71.05006	50.1
72.25056	1.9
73.80405	2.2
79.05506	15.7
81.03442	2.7
81.07069	100.0
83.04986	10.4
83.08637	3.1
85.06549	3.9
89.05996	2.5
91.05504	5.2
93.03416	6.3
93.07055	12.9
95.04971	9.3
95.08620	20.8
97.06554	7.3
99.04503	3.7
99.08118	3.9
105.07059	8.4
106.41644	1.9
107.08614	25.1
109.02916	3.4
109.06532	14.2
109.10165	29.7
111.04448	5.1
111.08092	14.2
112.15285	1.9
113.06032	2.2
121.10143	4.9
121.44010	2.2
123.04439	13.1
123.08066	5.8
123.11723	68.1
125.05992	3.5
125.09683	2.5
126.03144	2.2
127.03934	4.0
127.07598	2.0
127.11190	2.1
129.20456	1.7
133.10149	7.6
139.11172	11.1
141.05484	6.7
151.03967	15.4
151.11218	21.8
169.05000	40.5
169.07578	12.0
169.12285	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	169.1225
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03951	3.5
55.05517	100.0
56.96560	6.2
57.07080	2.2
59.05001	1.7
65.03951	2.9
67.05515	9.9
69.03436	1.7
69.07069	9.8
69.42351	10.9
70.06598	2.9
71.05003	22.7
72.08164	4.2
79.05466	3.5
81.03433	2.5
81.07068	23.2
83.04987	52.4
83.08650	2.7
84.08161	1.7
85.02867	1.4
85.51096	1.4
91.05463	1.8
93.03374	1.7
93.07052	5.9
95.04974	4.1
95.08068	1.9
95.08614	16.7
97.06552	9.5
97.99200	1.6
99.04458	4.1
102.93011	1.5
105.07024	1.7
107.08603	11.4
109.02888	3.7
109.06527	7.3
109.10188	9.5
110.06098	2.0
111.00817	3.0
111.04453	5.8
111.08079	3.6
113.05995	1.6
113.88784	1.5
115.04214	1.6
123.04462	2.7
123.08105	3.7
123.11738	13.8
124.04681	3.3
124.07623	1.8
125.06023	3.2
126.03119	3.5
127.03925	1.9
133.10150	3.1
135.55447	2.9
141.05492	9.6
145.01704	1.7
146.04082	2.0
146.59319	1.4
151.03915	2.6
151.11221	5.0
152.03470	7.7
152.07077	2.5
154.07774	3.7
160.45799	1.8
163.02823	4.8
166.80457	1.4
169.04982	9.1
169.06306	2.6
169.10092	4.7
169.12250	6.5
170.08170	2.4
170.15436	4.5
186.04425	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	169.0498
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
52.33313	0.6
55.01875	1.1
55.05510	1.0
61.47260	0.6
62.56477	0.6
65.03947	89.6
67.05500	2.6
69.85192	2.4
79.05497	1.5
80.56092	0.6
81.03425	1.9
81.07057	2.6
83.07476	0.9
93.03415	91.2
95.04977	2.8
95.08622	1.4
97.06535	1.2
101.22047	0.6
106.45308	0.6
107.04977	1.1
107.08614	0.8
108.02090	1.2
109.02853	3.1
109.06525	2.5
109.10173	1.1
110.03670	19.0
111.04453	100.0
111.08100	1.1
112.04784	1.0
116.90825	0.6
120.24957	0.6
123.04435	2.3
123.08167	0.7
123.11693	2.1
125.06006	53.8
126.03238	0.8
134.06024	3.8
141.05484	3.0
141.06998	1.2
151.03929	26.3
151.05046	3.3
151.11128	0.7
169.04991	17.4
169.07591	2.1
169.10109	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0861
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
50.56459	0.4
52.67522	0.4
53.03954	2.6
55.01873	2.9
55.05516	13.6
57.03425	1.3
57.71881	0.4
59.04995	0.4
64.15801	0.4
65.03946	4.6
67.05510	14.6
68.57533	0.4
68.99803	0.6
69.03430	3.2
69.07069	5.0
70.06616	0.7
70.72659	0.9
71.01363	0.5
71.05000	6.5
72.08153	1.7
79.05499	13.9
81.03427	6.9
81.07063	51.1
83.04989	4.8
83.08619	1.5
85.02914	0.8
85.06544	0.6
91.05499	3.8
93.03415	2.7
93.07050	9.3
95.04975	100.0
95.08612	11.7
97.06528	8.0
99.04460	1.2
99.08106	0.5
103.05434	0.8
105.04533	0.5
105.07043	4.9
107.04984	1.5
107.08609	2.0
108.05756	0.8
109.02909	1.4
109.06525	23.4
109.10157	2.5
110.03674	0.8
111.00820	0.8
111.04451	3.1
111.08086	3.6
113.05992	0.9
123.04438	1.0
123.08088	5.4
123.11697	2.1
125.05997	13.8
126.03143	1.2
127.03908	0.4
127.07556	6.2
133.06497	0.9
133.10129	1.2
134.06059	0.9
137.02272	0.5
141.05458	2.8
141.07008	0.5
146.90091	0.5
151.03938	1.4
151.07549	7.2
151.11206	1.8
152.03424	0.6
152.07109	1.4
169.05002	3.4
169.06451	0.7
169.08664	1.4
169.09914	0.5
169.12219	0.8
170.08229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
67.01863	3.0
67.05493	2.1
68.99788	1.7
69.55844	2.7
69.56238	0.9
72.77230	0.5
80.55103	0.5
95.04988	5.0
98.21519	0.5
102.99051	0.4
109.02866	0.5
123.04442	28.7
127.03934	8.4
141.05441	0.5
151.03917	42.9
152.04202	0.9
169.04980	100.0
170.05309	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0498
Annotation	4-Hydroxymethylsalicylate
Peak:m/z	Relative Intensity
53.03964	0.4
55.05515	2.8
65.03951	1.9
67.05514	3.3
68.99792	2.4
69.07078	0.6
69.61446	0.4
69.61864	0.9
71.04976	1.1
79.05518	0.5
79.45329	0.2
79.72002	0.2
79.77326	0.2
81.03436	0.5
81.07065	1.9
81.99419	0.2
83.05001	1.1
86.98991	0.2
93.03413	1.6
93.07067	0.3
95.04976	2.9
95.08636	0.8
97.02927	0.2
97.06564	0.3
99.04477	0.3
107.04936	0.2
107.08604	0.9
109.02895	0.7
109.06525	0.5
109.10181	0.8
110.03690	0.4
111.00819	0.3
111.04454	1.8
111.08094	0.3
123.04458	1.3
123.08071	0.3
123.11706	1.1
125.06007	1.4
126.03155	0.4
133.10208	0.2
138.44334	0.2
141.05441	1.5
151.03917	100.0
152.04323	1.3
169.04974	10.0
180.32446	0.2
188.47607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01868	1.7
55.05509	7.3
56.05032	4.0
56.96558	3.4
57.07081	3.5
65.03924	3.3
67.05187	2.8
67.05514	43.2
67.93571	2.9
69.03419	2.9
69.07082	9.3
70.06587	5.7
71.04999	1.8
71.52532	1.7
72.04529	19.5
78.08213	1.9
79.05503	75.2
80.05010	4.8
81.03406	5.5
81.07066	33.3
82.06565	2.3
83.04990	1.8
84.04522	16.4
84.96026	4.1
85.94597	1.7
88.68056	1.6
91.05489	10.9
93.06480	3.4
93.07056	59.4
93.69945	1.6
94.06566	7.2
95.04965	4.7
95.07418	1.6
95.08621	9.5
96.04508	2.9
98.06042	5.0
103.05470	6.1
103.98289	2.0
105.07018	7.9
106.88532	1.5
107.08604	47.7
108.04490	2.1
108.08156	8.0
109.02896	4.8
109.06518	1.7
109.09468	3.3
109.10169	44.3
110.09726	1.9
112.07628	12.3
119.08612	2.0
119.88148	1.8
121.01716	2.2
121.99376	7.1
122.06029	6.5
122.09662	11.4
122.10457	2.8
123.11740	30.5
124.03928	1.9
124.42947	1.9
125.05486	2.3
126.05512	6.2
127.03936	4.1
127.05457	2.2
128.50455	1.7
133.10129	4.0
135.11708	63.7
136.11221	4.1
140.00345	3.1
140.03474	2.0
140.06990	4.1
140.07945	8.2
140.10706	12.5
140.95087	3.3
141.06970	2.7
145.00951	7.2
145.06520	9.3
150.05547	6.5
150.09160	2.9
150.12859	2.6
151.03928	2.0
151.13596	4.2
155.06064	25.0
163.02007	6.2
167.07281	3.6
168.06580	10.2
168.08090	47.1
168.10193	23.0
168.13860	100.0
169.04993	3.0
169.10081	2.3
175.57124	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01856	3.2
67.05516	2.3
68.99786	1.4
69.56068	2.4
81.07058	1.0
81.12823	0.4
83.04971	0.5
85.02927	0.6
88.57070	0.4
95.04980	4.5
98.20764	0.8
109.02827	0.5
117.53972	0.5
120.62865	0.4
123.04437	26.0
123.11694	0.4
127.03943	8.5
137.81416	0.4
141.05495	0.5
151.03917	41.3
151.11136	0.5
152.04207	0.5
169.04976	100.0
170.05293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	56.4
57.07073	10.5
58.58162	2.1
69.07076	100.0
70.06616	2.5
71.08630	6.3
74.93816	2.2
75.23366	2.1
79.05478	3.2
81.07064	2.9
83.08625	32.3
85.10142	2.6
97.10181	37.2
111.11726	15.2
125.08252	32.7
125.19161	2.5
136.46956	2.5
149.02423	3.7
152.00557	2.4
153.80850	2.3
167.08170	5.1
167.11905	2.5
167.15491	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	167.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.01851	1.4
55.05316	1.0
55.05523	11.4
57.03429	2.9
57.07074	5.8
59.04993	2.6
65.03936	2.5
67.05172	1.8
67.05514	23.2
69.03433	3.3
69.06724	1.5
69.07076	14.7
69.53426	7.3
71.05003	23.2
73.06561	9.4
75.04459	2.0
75.63882	1.0
77.03899	1.6
78.04731	12.7
79.05504	29.9
81.03441	1.8
81.07067	37.5
83.04984	4.6
83.08626	6.0
84.96031	2.5
85.06546	1.6
87.08108	1.2
91.05496	12.3
93.03407	2.6
93.07056	64.6
95.04983	6.8
95.08620	59.0
96.05756	1.1
97.06553	6.8
105.03400	3.4
105.04511	1.6
105.07043	8.2
106.03538	0.9
106.04153	5.8
107.04972	9.1
107.07880	2.2
107.08608	40.4
109.02873	1.5
109.06528	4.6
109.10166	18.2
111.04445	8.7
111.08108	7.4
119.04946	1.3
119.08549	1.6
121.01654	2.2
121.02866	1.5
121.06516	4.3
121.10158	53.4
122.03654	1.6
123.04445	20.2
123.08091	2.6
123.11716	5.1
124.05250	10.1
125.05997	4.9
125.09646	3.1
131.08574	3.0
134.03674	1.4
135.04396	1.8
139.03893	1.4
139.07550	8.7
139.11217	2.9
144.03252	2.5
149.02371	4.6
149.04962	2.0
149.06032	2.5
149.09631	9.9
149.13284	18.3
150.05551	1.4
151.03915	4.1
152.04723	6.2
167.03403	6.5
167.07063	100.0
167.10677	23.7
167.14331	7.3
167.15544	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03942	6.1
55.01889	7.1
55.05514	15.4
57.03436	8.8
59.05000	8.1
65.03934	7.3
67.05179	4.5
67.05507	47.6
69.03438	7.0
69.07073	20.0
70.18919	7.2
70.19278	7.2
71.01347	10.8
71.04991	8.1
76.76350	3.5
77.53107	3.2
79.05499	63.6
81.03426	37.2
81.07057	31.9
83.04981	19.0
83.08599	4.2
85.02926	5.4
85.28480	4.1
87.04443	5.1
91.05484	39.5
93.07056	100.0
95.04988	22.9
95.08614	49.4
97.02905	3.2
97.06521	10.2
97.10191	5.2
101.06059	3.3
103.00670	10.7
105.04517	3.3
105.07045	29.7
107.04971	26.0
107.08602	73.7
109.06511	20.4
109.10094	3.5
111.04456	14.9
111.08083	7.2
111.52677	3.1
116.06234	4.6
119.08588	5.7
121.01672	28.9
121.06515	8.1
121.08486	4.9
121.10156	84.2
122.07229	3.5
123.04439	8.0
123.08082	27.4
123.27293	3.6
124.05186	6.5
125.05998	11.0
125.09657	17.2
126.02093	4.5
131.08575	37.6
133.47050	3.6
135.08064	6.6
139.02721	8.3
139.07616	7.4
139.11234	20.1
142.96718	4.7
143.96742	18.9
144.03195	31.8
149.02335	8.5
149.09639	53.5
150.05484	5.1
150.10368	3.6
162.04295	9.3
166.98317	4.7
167.04694	10.7
167.07007	32.0
167.08247	6.6
167.10669	59.0
167.11922	4.8
167.12888	5.1
167.15448	55.6
175.95164	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	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03942	2.4
55.01859	2.3
55.05514	4.0
57.03435	2.4
57.07085	5.4
59.04994	2.1
65.03947	6.3
67.05515	40.1
69.03426	3.2
69.07063	6.6
70.00233	3.8
71.04999	1.8
73.02919	1.5
75.01364	1.2
77.84724	1.5
78.04696	2.3
79.05502	50.6
81.07066	35.1
83.04996	14.5
85.02890	1.5
85.06536	1.8
87.04485	1.6
91.05491	13.0
93.03444	7.1
93.07055	80.1
95.04990	5.1
95.08609	10.7
97.06551	11.5
98.21410	1.6
99.03568	1.1
99.04436	2.8
103.05508	1.4
105.04523	1.6
105.07047	14.6
107.04951	7.3
107.08601	29.6
109.06546	7.0
111.04451	31.9
111.08041	2.6
119.08593	1.9
121.06519	4.5
121.10157	100.0
122.10535	1.3
123.04474	5.8
123.08068	4.8
123.11691	2.6
124.05178	1.8
125.06000	22.5
125.09621	3.9
128.68846	1.1
131.08546	5.9
133.07594	2.1
137.09702	1.4
138.36339	1.2
139.03902	5.9
139.11188	7.2
149.09642	36.7
149.43030	1.3
152.08347	1.6
167.03438	1.3
167.07066	21.8
167.10692	99.9
177.50169	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03945	2.4
55.01868	0.7
55.05510	1.0
57.03449	2.7
65.03920	0.6
67.05518	1.9
68.67921	0.4
69.03432	0.7
69.07056	1.0
70.06638	0.4
71.04995	0.9
71.06742	0.9
75.04486	7.5
77.03939	1.7
77.43542	0.5
78.04700	2.4
79.05504	8.5
80.28328	0.5
81.03426	0.6
81.07072	6.4
91.05489	9.7
91.06021	0.8
93.07053	100.0
94.07365	1.4
95.04978	2.7
95.08611	3.4
97.06541	1.7
103.05447	0.6
104.34843	0.5
105.04543	1.5
105.07037	7.0
106.04196	1.3
107.04975	0.6
107.08600	4.0
109.06539	1.2
111.04469	1.1
111.08092	16.5
119.08594	0.8
121.06544	0.9
121.10155	61.0
122.10510	0.6
123.04446	3.6
123.08080	1.8
123.11729	1.7
124.05188	1.1
125.06007	1.7
131.08598	1.2
133.07637	0.9
139.11192	2.4
149.02354	0.6
149.09636	6.8
152.04721	1.5
167.03455	0.6
167.05643	1.1
167.07045	17.9
167.08449	0.9
167.10684	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	167.107
Annotation	(-)-Isochaminic acid
Peak:m/z	Relative Intensity
53.03953	2.0
55.01867	4.4
55.05519	5.0
56.96582	1.2
57.03454	2.8
59.05017	1.5
60.57195	0.6
65.03953	0.9
67.05509	5.6
69.03458	2.9
69.07072	10.6
71.05018	1.7
72.08165	1.8
73.02947	1.7
78.04742	1.3
79.05499	30.6
81.07066	14.8
81.87118	0.7
83.04980	5.5
83.08643	2.0
84.96039	3.7
85.02934	1.1
85.06562	1.3
89.36304	0.6
89.89893	0.8
91.05493	10.7
93.03417	0.9
93.07053	49.5
95.04972	3.7
95.08624	6.9
97.06524	4.0
98.21640	1.6
101.08538	0.7
102.94878	0.9
103.00657	2.4
103.05495	0.9
105.03424	0.9
105.04533	1.2
105.07039	7.4
106.04174	1.1
107.04268	0.5
107.04969	20.8
107.08604	35.7
108.05795	0.8
109.06544	4.7
109.10183	1.0
111.04451	4.3
111.08105	2.5
119.06107	1.1
119.08623	2.0
121.01675	5.2
121.02979	1.0
121.06536	4.8
121.08434	2.7
121.10155	52.0
122.06078	1.1
123.04448	3.4
123.08059	3.7
123.11731	3.4
124.05200	2.2
125.06005	48.4
125.09633	3.6
125.95296	0.9
126.02265	1.1
129.06996	1.0
131.08578	17.9
139.02797	0.7
139.07564	5.3
139.11182	3.7
143.96686	3.4
144.03220	4.9
145.00992	1.0
149.02347	3.3
149.09631	100.0
149.13191	1.8
150.05553	0.9
162.04326	1.3
167.03375	3.4
167.04729	1.3
167.07063	13.3
167.08447	2.5
167.10687	56.3
167.14223	1.6
167.15456	3.9
168.10176	0.9
187.99875	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02390	0.4
52.01119	0.4
53.03941	1.4
54.99417	0.4
55.01877	1.0
55.05513	2.2
57.03439	1.1
57.07080	0.6
59.04987	0.9
65.03938	1.3
65.35905	0.4
66.00513	0.4
66.04720	0.8
67.05523	2.8
69.03420	1.2
69.07072	3.5
71.04998	1.9
71.52094	0.9
75.04482	0.4
77.03931	0.7
78.04718	11.3
79.05501	11.6
81.03423	0.8
81.07072	5.8
83.05000	2.0
83.05447	0.4
85.02907	0.6
85.06544	2.9
91.05494	5.4
93.03381	1.0
93.07055	20.7
94.04192	0.7
95.04976	3.2
95.08620	3.1
96.05779	0.8
97.02847	0.7
97.06525	2.8
99.04447	1.4
105.03417	1.1
105.04520	0.8
105.07043	5.0
106.04189	6.0
107.04984	3.2
107.08607	27.4
109.02882	1.2
109.06522	6.1
111.04477	2.7
111.08094	1.7
111.11678	0.4
119.06096	0.5
119.08579	0.5
120.08078	0.4
121.02876	0.8
121.06540	3.1
121.08443	1.1
121.10155	22.9
122.03654	1.2
123.04446	21.7
123.08102	3.7
123.11713	1.0
124.03178	0.4
124.05228	5.5
125.06000	1.9
125.09619	1.3
127.47172	0.4
131.08568	2.4
134.03659	0.9
135.04416	0.7
137.06000	0.9
139.07605	0.4
139.11174	2.1
144.03227	0.5
149.02359	1.5
149.05968	0.6
149.09641	9.6
151.03917	4.4
152.04706	4.1
167.07056	100.0
167.10686	8.5
168.07361	1.0
179.93211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02381	0.4
52.03157	0.4
52.43851	0.3
53.03963	1.5
55.01860	0.9
55.05509	0.4
58.84271	0.3
59.04997	0.5
62.80391	0.3
65.03931	0.7
66.04719	0.7
67.05514	1.8
69.03422	0.5
69.07059	0.6
70.06567	0.4
71.04988	0.7
71.51388	0.4
77.03908	0.4
78.04277	0.7
78.04716	11.3
79.05499	10.0
81.03414	0.8
81.07062	1.5
83.04982	1.0
85.36688	0.3
91.05477	2.0
93.03393	0.6
93.07047	5.8
94.04182	0.8
95.04979	3.3
95.08597	0.6
96.05746	0.8
97.02861	0.4
97.06527	1.1
103.00629	0.5
103.05469	0.4
105.03393	1.6
105.07024	0.8
106.04180	5.9
107.04970	2.0
107.08606	2.6
109.02877	0.9
109.06530	1.2
110.03665	0.5
111.04436	0.7
111.08062	0.5
120.02090	0.4
120.08079	0.3
121.01689	1.4
121.02904	0.7
121.06528	2.6
121.08409	0.9
121.09374	0.3
121.10159	2.4
122.03647	1.0
123.04437	22.8
123.08029	0.6
124.05225	5.8
125.06020	0.8
125.09621	0.6
131.08595	0.5
134.03622	1.3
135.04431	0.7
137.02351	0.4
137.05995	0.9
139.02795	0.4
139.03938	0.4
139.07571	1.1
144.03265	1.2
145.57326	0.3
149.02396	2.0
149.05992	1.6
149.09615	1.3
150.03021	0.4
151.03912	4.0
152.04720	3.6
167.03400	1.9
167.07048	100.0
167.10652	2.0
168.04153	0.4
168.07422	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.76938	0.5
53.03930	1.5
58.98643	0.5
60.36954	0.5
64.62726	0.6
65.03938	0.7
66.04704	1.1
67.05502	1.2
70.11193	2.3
78.04275	0.7
78.04715	11.1
79.05064	0.7
79.05491	5.2
81.07067	1.1
83.08639	0.6
85.04960	0.5
85.51795	0.5
91.05503	1.0
93.03364	0.8
93.07048	1.2
94.04163	0.6
95.04973	1.7
96.05775	0.6
100.81765	0.7
105.03407	1.2
106.04183	5.9
107.04954	5.3
107.08613	1.3
109.02882	0.9
109.06514	1.0
110.03745	0.5
121.01679	1.1
121.02866	0.8
121.06574	0.7
121.10150	1.7
122.03635	1.4
123.04440	20.0
124.05226	6.9
125.05897	0.7
125.08222	1.2
132.57124	0.5
134.03619	1.2
139.07541	1.0
139.12344	1.4
144.03201	0.9
145.59871	0.5
149.02368	3.3
151.03918	4.3
152.04703	4.5
164.97035	0.6
167.07054	100.0
167.15453	12.5
168.07349	1.2
170.54742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	4-Hydroxyhydratropate
Peak:m/z	Relative Intensity
50.56514	0.7
51.02388	0.8
53.03949	9.4
55.01888	5.3
55.05511	4.3
57.03436	1.0
62.09210	0.8
65.03938	3.0
67.05509	14.2
68.99792	2.5
69.03429	3.0
69.07066	1.7
70.10140	3.3
70.10491	0.7
71.04999	17.3
72.08167	0.9
77.03939	3.8
78.04724	2.3
79.05068	1.4
79.05502	20.9
81.03408	2.5
81.07063	6.5
83.04993	9.5
85.02897	1.3
91.05489	38.4
92.05801	0.7
93.03416	1.0
93.07053	100.0
94.07375	1.4
95.04372	1.7
95.04974	31.6
95.08597	4.7
96.05273	0.9
97.02898	1.8
97.06530	4.7
99.00807	1.6
99.04465	26.3
102.77549	0.7
103.00639	1.5
103.05484	13.4
104.05810	0.7
105.04539	5.4
105.07027	4.5
106.04197	0.9
107.04964	5.7
107.08601	19.4
108.05688	1.0
109.06549	4.4
111.04470	2.1
111.08109	2.4
119.04929	2.8
121.01669	3.9
121.02885	2.1
121.06515	80.5
121.08331	1.7
121.10152	15.7
123.04440	14.1
123.08060	1.9
123.11728	1.5
124.05231	1.3
125.06003	3.0
125.09636	1.7
131.04921	2.1
131.08580	2.3
136.08420	2.2
137.06039	0.9
139.07539	5.3
139.11209	1.8
144.03255	2.4
147.04358	1.3
149.02362	2.0
149.04999	4.8
149.05998	87.9
149.09601	5.9
150.06358	1.4
167.03404	2.7
167.05641	1.8
167.07059	31.4
167.10683	4.8
167.14340	1.1
168.30858	0.8
178.88205	0.8
186.29153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1229
Annotation	4091-50-3
Peak:m/z	Relative Intensity
51.02367	0.3
51.46012	0.2
53.03948	0.6
55.01855	0.3
55.05505	0.4
65.03937	0.5
65.92641	0.4
67.05497	0.7
69.07076	0.3
69.19546	2.0
69.80020	0.2
72.08154	0.2
73.02906	0.3
78.04691	0.4
79.05496	5.6
80.05006	0.5
80.05813	0.2
80.94962	0.6
81.07053	0.6
82.06592	0.3
83.93047	0.4
84.08131	0.2
91.05476	1.8
92.05816	2.6
93.07044	1.4
94.06557	0.2
95.04987	1.2
95.08604	0.2
96.04498	0.3
96.05280	0.5
97.06485	0.3
98.21578	0.4
99.04417	0.2
101.00867	0.4
102.00970	0.4
102.02242	0.4
103.05472	4.3
105.03399	0.7
105.07038	18.7
107.04979	0.7
107.08599	0.9
108.04482	1.2
109.06501	0.4
110.06104	0.3
110.10484	0.5
111.04443	0.2
119.01907	0.8
119.04944	1.0
120.02007	1.8
120.05299	4.2
120.08113	11.1
120.08838	0.4
121.01613	0.3
121.01947	0.3
121.02874	3.7
121.06512	1.9
121.10143	0.6
121.97545	0.4
123.04462	1.3
124.03987	0.3
124.04739	1.4
124.08388	0.2
125.02493	0.2
125.48759	0.2
135.08063	100.0
136.07509	0.3
136.08395	0.8
138.03098	0.4
138.05499	0.8
138.09119	1.2
138.10060	0.4
139.07497	0.3
142.03549	0.5
142.94971	0.3
142.96704	0.8
143.03635	2.2
143.08693	1.0
143.58705	0.3
144.03268	0.3
145.75015	0.2
148.04762	13.0
148.07411	0.4
148.08429	0.6
149.03011	1.8
149.05984	1.5
151.03918	0.2
154.59496	0.7
160.96045	0.4
161.04698	0.5
166.03633	0.3
166.04889	2.5
166.08647	2.9
166.09700	1.2
166.12259	2.1
167.07010	2.4
167.10750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03946	1.0
55.01859	0.3
55.18220	0.3
57.22261	0.3
65.03931	0.6
66.04717	0.8
67.05514	0.4
67.50524	0.3
70.55257	0.7
77.03891	0.3
78.04720	12.1
79.05500	5.1
81.03429	0.8
81.07062	0.8
83.04974	0.3
91.05476	0.9
93.03413	0.5
93.07043	0.7
94.04195	0.8
95.04971	2.1
96.05762	1.3
97.06532	0.4
103.00666	0.5
105.03391	0.9
105.04523	0.5
106.04177	5.2
107.04326	0.3
107.04977	4.2
109.02893	1.3
109.06562	0.6
121.01662	0.7
121.02872	0.5
121.08469	0.3
121.10145	0.5
122.03654	1.6
123.04440	22.1
124.05232	6.7
125.05973	0.8
134.03604	1.2
135.04410	0.7
137.02338	0.3
137.05971	1.3
139.07539	1.7
144.03241	0.7
149.02397	0.5
150.03056	0.3
151.03915	4.5
152.04694	5.1
167.07053	100.0
167.15482	1.0
168.07381	1.6
168.10042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0865
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.78045	0.1
56.96553	0.1
67.05493	0.2
70.03017	0.1
71.08672	0.1
71.08997	0.2
77.03947	0.3
79.05500	1.1
79.77725	0.1
79.89775	0.1
83.93044	0.2
87.04469	0.1
91.05479	0.7
92.05806	0.1
93.07047	2.3
95.04977	0.1
102.02253	0.2
103.05479	8.1
105.07027	0.2
107.04962	1.8
118.06512	0.1
120.08116	100.0
121.06500	0.3
121.08460	1.0
124.03819	0.1
128.97833	0.2
130.69647	0.1
131.04942	2.7
136.89931	0.1
138.05481	0.2
142.96701	0.4
143.03644	0.3
148.04762	0.5
149.06001	0.8
161.63254	0.1
166.05034	0.4
166.08620	2.7
167.07091	0.5
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
65.03941	2.4
70.06587	0.7
72.00884	100.0
72.62725	0.6
80.05017	0.9
80.46777	0.7
83.93034	3.7
90.01945	3.9
92.04982	0.6
93.07063	1.5
95.04989	7.1
101.94108	0.7
102.00976	1.3
102.02223	1.3
103.05480	1.6
104.96050	0.7
107.04894	0.8
110.06040	0.7
111.04514	1.4
114.42451	0.7
119.01916	1.8
119.95112	1.1
120.02031	5.2
120.03265	0.8
120.04467	1.2
120.05267	0.8
120.08109	18.0
121.02878	97.7
121.03891	3.0
121.06529	3.6
122.03194	1.2
133.02907	3.2
136.07573	0.9
138.03081	1.2
138.05484	1.7
138.09129	1.3
138.10239	0.8
139.07494	1.0
142.96704	12.3
143.03642	5.1
148.03822	5.6
148.04799	1.9
148.07498	0.8
149.04755	1.1
149.49007	0.7
151.03871	1.5
161.04648	1.5
165.98349	1.5
166.05011	16.9
166.08641	6.8
166.09830	1.6
166.12207	1.2
168.76411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.66261	0.2
69.36726	1.3
71.48117	0.2
77.03922	0.2
79.05499	1.4
91.05476	0.6
93.07050	1.9
95.26627	0.2
103.05477	9.1
107.04963	2.0
120.08117	100.0
120.43619	0.1
121.06515	0.2
121.08475	1.1
131.04947	2.5
134.37646	0.2
149.05992	0.6
166.08652	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	165.1277
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
50.79728	1.1
53.03936	2.1
53.73575	0.9
53.96894	1.1
55.01867	2.9
55.05513	5.8
57.03439	6.5
65.03932	3.0
67.05512	34.6
69.03423	4.8
69.07075	7.5
71.04998	2.0
71.52442	2.0
79.05499	32.0
81.03424	1.7
81.07064	72.8
82.22565	1.0
83.04990	8.3
83.08613	1.4
85.06539	3.7
91.05489	45.9
93.07053	42.6
95.04985	13.0
95.08617	19.0
97.06541	8.1
101.00893	17.0
101.02539	1.9
103.05453	1.4
105.07041	62.2
107.04987	1.5
107.08606	23.2
109.06514	10.8
109.10172	10.5
117.07038	1.7
119.01929	33.2
119.04953	20.5
119.08590	52.7
120.08115	3.9
121.10154	62.2
122.07289	2.2
123.04446	2.7
123.08067	6.9
123.11726	11.4
124.02446	2.9
133.02841	1.3
137.02998	5.6
137.05963	1.6
137.09630	12.0
137.13306	2.6
142.03516	32.7
142.96654	1.9
145.10220	1.2
147.04427	46.3
147.11699	100.0
148.12035	2.0
160.03401	1.2
160.04613	6.4
165.01935	1.2
165.05627	8.8
165.09113	23.3
165.12766	92.2
166.08672	1.7
174.05457	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1277
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
55.05516	4.0
64.22941	0.5
65.03951	0.8
67.05508	4.0
69.03446	0.8
69.07059	2.6
71.52010	0.7
79.05499	2.2
81.03418	1.6
81.07067	5.8
83.04967	1.1
83.08624	2.7
83.93063	0.5
91.05486	6.5
93.07057	1.8
95.04978	100.0
95.08630	4.1
96.05310	0.8
101.00893	3.7
101.02589	0.9
103.10852	0.5
105.07066	4.0
107.05008	0.5
107.08605	9.6
109.06527	21.3
109.10165	2.8
111.83947	0.5
119.01941	7.8
119.04951	8.4
119.08574	3.8
120.08119	1.3
121.10169	2.7
122.07272	1.2
123.04481	0.9
123.08075	1.7
123.11737	1.4
124.02467	1.4
133.02869	0.6
137.03004	1.6
137.06001	1.3
137.09657	3.6
137.13272	1.1
142.03517	9.8
142.96733	0.9
147.04427	20.6
147.11696	9.8
160.04543	1.7
165.04338	0.6
165.05482	0.9
165.09117	7.8
165.12767	64.9
166.13152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03941	1.0
54.11383	0.5
55.05502	2.0
61.52340	0.6
65.03940	0.8
67.05183	1.0
67.05515	13.4
69.03445	0.5
71.52788	0.7
79.05493	2.1
81.03454	0.5
81.07059	5.6
83.04971	1.8
84.26541	0.6
90.36893	0.5
91.05485	8.8
93.07046	1.6
95.04964	1.4
95.08614	1.7
101.00896	6.3
103.05461	0.8
105.07043	1.7
105.79548	0.5
107.04964	2.2
107.08607	1.6
109.06524	1.0
109.10173	16.2
117.06955	0.5
119.01937	22.3
119.04963	9.7
119.08584	11.1
120.02023	0.7
120.08081	1.0
121.06513	2.0
121.10124	0.7
122.07302	9.1
123.04410	0.6
124.02475	1.6
137.02968	5.6
137.06010	2.3
137.09633	35.3
142.03514	21.3
142.04631	1.2
142.96703	1.4
147.04434	21.5
147.08084	0.8
160.04564	5.6
165.05437	5.3
165.09132	100.0
166.09579	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0913
Annotation	hinokitiol
Peak:m/z	Relative Intensity
51.75077	0.7
53.03951	2.4
55.01886	1.3
55.05509	5.5
57.03440	1.0
59.05025	0.7
65.03953	2.4
66.75965	0.7
67.05508	62.1
68.99802	0.6
69.03438	4.2
69.07080	2.0
71.38488	0.9
77.03901	0.8
79.05493	10.6
81.03431	1.6
81.07059	22.7
83.05011	1.1
85.02907	0.9
91.05485	27.1
92.05824	1.6
93.07046	21.2
95.04974	56.3
95.08610	17.9
96.05341	0.8
98.10308	0.8
101.00870	4.3
102.91412	0.6
103.05473	1.7
105.07033	7.0
107.04955	1.8
107.08606	8.1
109.02892	1.4
109.06508	5.8
109.10163	59.4
111.04456	2.6
117.07038	2.7
119.01939	8.8
119.04946	24.3
119.08585	21.9
120.05259	3.6
120.08125	1.6
121.06478	1.0
121.10162	6.6
122.06068	0.9
123.04419	4.7
123.08055	3.3
124.02452	0.9
129.07028	0.8
132.12502	0.6
133.02849	1.1
135.08072	1.0
137.02974	2.2
137.05975	2.2
137.09625	100.0
138.05461	0.7
138.10002	1.0
142.03510	8.5
147.04419	57.7
147.08060	13.3
147.11674	2.6
148.03661	1.1
148.04753	13.2
160.04555	1.9
165.01833	1.7
165.05589	4.2
165.07402	2.4
165.09120	26.0
165.12703	3.9
166.08601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.055
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02380	0.2
53.03954	0.2
55.01871	0.2
55.05514	0.4
65.03941	1.0
67.05508	1.9
69.03428	0.8
69.07105	0.2
70.34692	0.4
71.60130	0.2
79.05479	0.9
81.03420	0.3
81.07069	1.8
82.99863	0.2
83.05010	0.3
85.02888	0.3
91.05490	19.2
92.05801	0.2
93.07073	0.9
95.04996	2.1
95.08628	1.1
101.00880	1.4
101.02603	0.3
103.05463	0.3
105.07047	2.0
107.05013	0.3
107.08603	0.8
109.02900	0.3
109.06540	0.8
109.10159	1.8
117.06988	0.2
119.01947	3.3
119.04956	42.8
119.08594	2.5
120.05320	0.6
120.08103	0.6
121.06548	0.3
121.10162	1.0
123.04445	1.8
123.08095	0.7
123.11697	0.2
124.02416	0.2
133.02831	0.5
133.06497	0.4
137.02969	0.7
137.05977	0.9
137.08057	0.2
137.09627	2.5
142.03502	2.8
145.78009	0.2
147.04425	100.0
147.11719	0.8
148.04785	1.2
150.06731	0.2
160.04565	0.6
165.01828	0.3
165.05476	2.4
165.07011	1.1
165.09113	2.6
165.10361	0.3
165.12787	1.5
166.08594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.05510	0.2
56.18655	0.2
63.80280	0.2
65.03955	0.8
67.05509	1.2
69.03431	0.4
69.95035	0.9
70.17427	0.2
77.03919	0.2
77.69407	0.2
78.90267	0.2
79.05492	1.0
81.07061	1.0
83.04983	0.4
91.05486	19.3
93.07053	1.3
95.04979	1.6
95.08613	1.2
101.00900	0.6
103.05475	0.3
105.07042	1.0
105.23041	0.2
107.08593	0.8
109.06525	0.5
109.10168	0.7
117.07008	0.2
119.01977	2.1
119.04950	40.4
119.08592	2.1
120.05273	0.5
120.08146	0.3
121.10154	0.4
123.04435	1.9
123.08100	0.6
137.05998	0.5
137.09618	0.8
142.03531	2.0
147.04417	100.0
147.11678	0.6
148.04767	1.3
160.04549	0.5
165.05482	2.2
165.06714	0.3
165.09131	0.9
165.12801	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
60.01872	0.2
61.23183	0.2
65.03928	0.9
65.74199	0.2
67.05493	0.3
70.83395	0.2
70.83760	0.5
79.46407	0.2
81.07043	0.3
81.51237	0.2
81.81561	0.1
86.33949	0.1
91.05489	17.7
95.04999	1.2
95.08619	0.2
101.00893	2.1
105.07000	0.2
119.01953	3.9
119.04952	41.2
120.05247	0.4
123.04440	1.5
123.11621	0.2
124.02466	0.7
137.02940	0.6
142.03516	4.0
147.04422	100.0
148.04791	1.2
157.74417	0.2
160.04568	0.6
165.05466	2.1
174.99489	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
65.03933	0.8
67.68196	0.2
69.79011	0.5
69.79407	0.8
81.07054	0.2
84.93738	0.2
91.05486	18.7
93.07046	0.2
95.04978	1.4
98.16093	0.2
98.20799	0.3
100.43779	0.2
101.00885	0.9
119.01989	1.2
119.04948	42.3
120.05257	0.6
123.04442	2.0
137.06007	0.4
142.03490	1.1
147.04417	100.0
148.04764	1.3
160.04523	0.2
165.05524	1.9
165.09143	0.5
165.12773	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
65.03941	1.1
67.05489	0.4
69.73007	0.7
69.73417	0.9
78.77653	0.3
79.05500	0.4
80.40308	0.3
82.99850	0.6
91.05489	18.5
92.05825	0.3
93.07061	0.3
95.04958	1.6
95.11580	0.3
98.21561	0.3
101.00900	3.6
102.25584	0.3
105.07037	0.4
109.00402	0.3
119.01958	4.8
119.04955	43.1
123.04475	1.9
124.02474	1.0
133.02878	0.3
136.55365	0.3
137.02969	0.8
137.05960	0.5
142.03511	6.3
147.04424	100.0
148.04744	1.1
150.06760	0.8
160.04578	0.9
165.05502	2.6
165.09077	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01862	0.7
55.05513	0.6
65.03945	0.9
67.05511	2.5
69.03429	0.6
69.07058	0.6
71.25332	0.7
72.08153	1.0
79.05495	2.2
81.03415	1.2
81.07059	3.3
82.01460	0.5
82.99844	0.8
83.04993	0.5
86.64700	0.4
91.05489	19.5
93.07060	1.3
95.01334	1.2
95.04984	4.4
95.08617	1.5
98.71846	0.3
101.00278	0.6
101.00897	6.5
101.02607	0.4
102.59843	0.4
103.05483	0.5
105.07040	3.2
107.04977	0.7
107.08604	2.5
109.06523	1.8
109.10165	1.2
119.01945	11.9
119.04953	40.2
119.08570	3.8
120.08131	0.8
121.06511	0.4
121.10117	1.0
123.04441	2.9
123.08091	1.3
124.02448	1.2
133.02818	0.8
133.06485	1.1
137.02983	1.6
137.05977	2.5
137.09648	0.9
142.02449	0.7
142.03523	12.6
147.04424	100.0
147.08098	1.5
147.11691	0.9
148.04749	0.8
160.04590	2.4
165.05518	5.1
165.09154	2.9
165.12788	1.4
171.43817	0.4
180.33807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03955	0.3
55.01857	0.3
55.05489	0.3
65.03939	0.8
67.05486	0.4
69.03423	0.3
69.48985	0.5
69.49390	2.0
69.79786	0.2
79.05489	1.0
81.07058	0.8
82.99826	0.2
91.05487	19.5
93.07054	0.8
95.04959	1.8
95.08607	0.7
98.20759	0.5
101.00900	2.5
105.07029	0.7
105.17539	0.2
107.08599	1.0
109.06539	0.5
109.10156	0.5
110.78336	0.2
117.07010	0.4
119.01936	4.2
119.04949	45.5
119.08591	2.3
120.08099	0.4
121.06567	0.3
123.04443	1.6
123.08080	0.8
124.02432	0.6
133.02876	0.6
137.02942	0.6
137.05983	0.9
137.09616	0.8
142.03506	3.5
143.74077	0.2
147.04419	100.0
147.11674	0.8
148.04756	1.0
160.04538	0.7
165.01759	0.3
165.05464	1.9
165.09126	1.9
165.12770	1.0
184.27647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0708
Annotation	3-Methyldioxyindole
Peak:m/z	Relative Intensity
53.03945	0.3
56.46205	0.2
62.53445	0.2
65.03960	0.6
67.05515	0.7
69.57517	0.2
71.37337	0.4
77.03904	0.2
78.95300	0.3
79.05509	0.2
81.07069	0.3
82.01467	0.4
91.05491	11.5
92.05831	0.3
93.07066	1.5
95.04980	1.2
100.02490	0.8
101.31421	0.2
101.78359	0.3
103.05468	1.1
104.05817	0.5
104.73306	0.2
109.10181	0.4
110.31063	0.2
118.03699	0.4
118.06559	0.3
119.04955	29.7
119.08576	0.5
120.05300	0.3
121.06521	8.0
122.06039	4.1
122.06887	0.4
122.94229	0.3
131.05997	0.3
132.05266	0.5
136.04782	0.6
136.07552	0.5
137.05949	0.3
137.09622	0.8
146.06015	0.3
147.04422	100.0
148.04774	1.2
149.02292	0.2
164.04401	1.2
164.07076	21.0
165.07480	0.3
165.09048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	1.5
68.70393	0.4
70.35384	1.6
82.01448	0.9
82.99849	10.9
95.52950	0.5
98.97604	0.9
101.00888	62.3
102.01009	0.9
119.01930	84.9
120.02037	1.9
124.02454	15.2
137.02965	9.9
142.03508	100.0
143.03583	2.6
147.04401	0.8
149.91080	0.5
160.04568	13.0
161.04747	0.5
165.05103	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19837	0.7
56.82529	0.5
71.03191	1.1
71.03516	0.7
71.22742	0.6
81.20925	0.6
82.01469	1.0
82.99843	11.7
83.00310	1.0
86.01254	0.6
100.02483	1.4
101.00887	65.7
102.01033	1.4
104.32732	0.6
111.00446	0.9
119.01926	88.0
120.02034	1.1
124.02456	14.9
137.02965	12.0
142.03503	100.0
143.03609	2.0
160.04561	12.7
165.05119	0.8
182.17387	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.1
70.15488	0.5
70.32080	1.3
70.32466	1.0
74.77655	0.5
82.01448	1.6
82.99846	11.9
84.08124	0.7
89.00862	0.6
91.07594	0.5
98.97536	0.7
100.02509	1.6
101.00891	74.9
102.00990	1.5
111.00451	0.6
119.01933	95.5
120.02048	2.3
121.06535	0.6
123.04442	0.8
124.02463	19.2
137.01988	0.8
137.02960	9.2
142.03511	100.0
143.03648	2.1
159.13272	0.6
160.04562	14.6
165.05116	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	164.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	0.5
58.99876	0.4
62.65082	0.1
63.92939	0.1
65.01190	0.2
67.18727	0.1
70.17416	0.4
78.95277	0.3
82.01449	13.0
82.99846	8.9
83.01538	0.3
83.02203	0.2
83.55975	0.1
89.48971	0.1
100.02490	24.0
101.00887	63.2
111.00440	0.5
111.47725	0.1
115.02374	0.1
118.03534	6.3
119.01927	99.2
119.97245	0.2
119.97999	0.2
121.01604	0.1
121.02377	0.4
122.02025	0.3
122.94190	0.1
123.04044	0.9
124.02455	14.7
128.97839	0.4
131.48103	0.2
137.02962	13.3
137.98351	0.1
140.95250	0.2
141.04109	0.1
141.05074	0.7
142.03505	100.0
144.03947	0.3
147.04391	0.2
149.49161	0.1
156.05194	0.2
158.96370	0.2
160.04564	16.8
163.96912	0.1
165.05103	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02369	1.0
53.03952	6.6
55.05508	2.7
57.06289	0.6
57.07083	2.7
67.05499	1.4
69.07070	6.5
77.03920	1.6
79.05500	15.3
81.03433	0.7
81.07059	16.4
83.01028	0.5
83.08611	2.2
89.03920	1.2
89.06039	0.9
90.25886	0.5
91.05482	5.4
92.02646	2.7
93.07050	14.0
95.04977	7.3
95.08614	7.5
98.97594	0.7
100.02528	0.7
103.05472	19.1
105.03416	5.3
105.04525	3.7
105.07037	2.0
106.06565	1.1
107.04967	3.7
107.08604	35.5
109.06545	0.6
117.03390	1.4
117.05721	1.0
117.07037	2.3
119.04919	0.9
119.08569	1.3
120.08073	0.6
121.10146	10.5
128.07089	0.8
130.06548	4.1
131.04938	23.4
132.08116	4.5
133.02859	19.3
135.04428	23.2
135.08023	0.6
135.11722	4.9
145.02872	0.8
145.06561	0.8
145.10063	0.7
163.03920	100.0
163.07539	5.4
163.11307	4.0
163.12384	2.8
163.14833	27.6
164.15094	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01629	0.8
51.02370	1.0
53.03950	7.3
55.05517	6.0
55.40328	0.7
57.07071	3.0
67.05515	4.5
69.03448	0.8
69.06737	1.1
69.07079	14.4
70.51696	1.2
70.52025	1.7
71.08637	1.3
77.03925	1.9
79.05500	23.6
80.05029	1.0
81.07065	39.2
83.08619	5.6
89.03935	2.4
89.06075	0.9
91.04956	1.2
91.05485	8.8
91.62348	0.8
92.02642	2.9
93.06483	1.7
93.07053	28.1
95.04980	7.6
95.08622	20.2
103.05473	12.5
104.04246	1.1
105.03396	5.1
105.04517	3.6
105.07024	4.5
106.06564	1.2
106.92212	0.8
107.04987	3.4
107.08607	87.2
109.06551	0.9
109.10187	1.0
117.07005	1.9
119.04965	1.0
119.06057	1.3
119.08551	1.6
120.08132	1.0
121.10152	24.6
123.03020	1.2
128.07072	1.1
130.06531	3.3
131.04938	16.7
132.08089	4.0
133.02863	19.7
135.04436	22.7
135.05421	0.7
135.11700	10.8
145.02887	1.6
163.03920	100.0
163.07498	6.9
163.11107	1.4
163.12332	4.7
163.14836	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03944	4.1
55.01877	4.8
55.05514	2.8
56.96562	0.7
57.03435	1.4
57.07062	2.1
61.02911	0.5
61.13293	0.6
63.02372	0.8
65.03947	1.1
67.05499	4.1
67.49028	0.6
69.03438	3.0
69.07065	2.4
70.34199	1.9
72.08171	1.0
79.05504	15.9
81.03431	1.5
81.07069	6.1
82.01409	0.5
83.04980	1.4
84.08141	0.8
85.02909	0.7
89.03924	24.0
89.06036	0.8
91.05484	10.6
93.06482	1.2
93.07051	16.9
95.04980	4.8
95.08612	5.3
97.06488	0.6
98.97566	0.6
100.02460	0.9
103.05476	37.2
105.03400	1.0
105.04530	1.7
105.07035	8.7
106.06563	1.3
107.04962	15.4
107.08602	15.7
109.06535	0.6
115.05461	1.5
116.06286	0.8
117.03388	20.3
117.05735	1.1
117.07034	10.1
119.01821	0.7
119.04948	1.7
119.08582	6.2
120.08128	0.8
121.06506	5.5
121.10151	5.7
121.95779	0.7
122.03648	0.7
128.06213	0.5
130.06551	2.4
130.07771	3.0
131.04941	46.8
132.02084	1.2
132.05258	0.7
132.08092	2.4
133.02866	4.3
133.06560	0.6
133.10161	1.2
135.04430	42.5
135.08078	3.3
135.11685	8.0
143.08548	0.7
145.02861	19.7
145.03951	0.9
145.06497	1.5
145.10129	15.8
145.80908	0.5
148.08817	0.9
163.03920	100.0
163.07538	16.1
163.11182	32.9
163.12321	2.5
163.14838	2.1
164.04343	0.9
164.10640	0.6
171.94321	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03944	2.0
55.01864	1.4
55.05501	1.2
56.43813	0.3
57.07068	0.9
63.02386	0.5
65.03932	0.4
67.05494	0.9
69.03437	1.6
69.07064	1.3
71.04961	0.4
71.52422	0.4
72.08163	0.6
77.03941	0.7
79.05498	6.8
81.03419	0.5
81.07055	1.7
83.05000	0.4
83.08636	0.3
84.08138	0.5
85.02908	0.4
86.87686	0.3
89.03416	0.6
89.03926	7.8
89.06056	0.4
91.05491	3.3
93.07052	5.7
95.04966	2.5
95.08601	1.3
97.68234	0.3
100.02480	0.4
103.05479	27.3
104.05816	0.5
105.03409	0.6
105.04528	0.9
105.07034	3.2
106.06589	0.6
107.04966	7.9
107.08607	5.3
109.06518	0.5
115.05473	0.5
117.03387	6.8
117.07022	3.9
119.04939	0.7
119.08582	2.1
120.08134	0.3
121.06496	3.0
121.10159	2.1
130.06523	1.1
130.07799	1.0
131.04941	36.7
132.02103	0.7
132.05267	0.4
132.08092	1.3
133.02885	5.0
133.06487	1.9
135.04427	14.5
135.08047	3.4
135.11685	2.0
143.08516	0.4
145.02872	6.2
145.03928	0.5
145.06511	0.7
145.10136	7.5
147.08052	2.4
148.05109	0.4
148.08842	10.6
163.03925	39.1
163.07562	11.2
163.11189	100.0
164.04338	0.5
164.11555	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.112
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02377	0.3
53.03939	1.2
53.75726	0.3
55.01849	0.3
55.05500	1.2
57.03423	0.7
57.07064	0.9
61.29773	0.2
65.03947	0.4
67.05494	0.9
69.03436	1.5
69.07072	2.2
71.10672	0.6
72.08167	0.5
77.03912	0.4
79.05067	0.4
79.05499	5.9
81.07064	2.6
83.04977	0.3
85.02914	0.5
89.03936	2.6
89.06036	0.3
91.05482	3.6
93.06486	0.4
93.07053	6.8
93.07632	0.4
95.04964	2.2
95.08621	1.9
103.05473	11.0
103.06157	0.6
104.31997	0.3
105.03409	0.4
105.04551	0.3
105.07029	3.0
107.04969	7.0
107.08598	8.2
115.05469	0.5
117.03393	2.4
117.07021	3.9
119.04922	0.6
119.08575	2.1
121.06505	3.8
121.10139	2.8
130.06531	0.5
130.07785	1.1
131.04938	13.7
132.08075	1.1
133.02861	1.0
133.06497	1.6
135.04439	5.2
135.08066	2.8
135.11714	2.9
143.08563	0.5
145.02864	1.5
145.06506	0.8
145.10133	6.9
147.08069	2.3
148.08842	9.2
163.03926	16.7
163.07571	5.9
163.11186	100.0
163.14806	3.5
164.11615	1.2
177.55035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.112
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02381	1.2
53.03968	3.4
55.01882	2.3
55.05517	3.5
57.03430	2.3
57.07072	2.1
61.02923	1.1
67.05511	2.0
68.99793	0.7
69.03438	9.0
69.07069	2.6
69.50790	2.6
69.51193	1.0
71.04996	2.0
72.08167	1.4
72.86778	0.5
77.03938	0.9
79.05501	16.1
81.03418	1.7
81.07065	12.3
83.04974	1.9
85.02922	2.5
89.03925	19.7
89.06061	0.9
91.05488	12.1
91.44621	0.6
92.02639	0.8
93.06480	1.3
93.07056	22.5
93.07642	1.2
95.04981	8.6
95.08619	3.0
103.05478	88.6
105.03422	0.7
105.04542	1.3
105.07045	18.7
107.04966	10.3
107.08605	30.1
109.06559	1.2
115.05484	1.9
117.03392	19.0
117.07031	7.9
118.03613	0.6
119.04943	1.4
119.06104	0.8
119.08597	7.4
120.09360	1.3
121.06535	6.8
121.10152	25.1
121.96651	0.8
123.08060	0.7
129.07016	2.0
130.06685	1.3
130.07799	7.4
131.04942	100.0
132.05312	1.2
132.08113	2.5
133.02852	3.1
133.06494	2.6
133.07458	0.6
133.10127	2.1
133.11690	0.6
135.04433	34.6
135.08028	4.1
135.11700	15.8
136.07564	0.7
143.08588	2.0
145.02869	15.8
145.03943	0.7
145.06473	2.0
145.10138	35.4
147.08115	1.5
148.05229	0.9
148.08859	2.4
163.03928	54.8
163.07558	28.8
163.11189	68.0
163.14871	2.7
164.11580	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01871	0.8
55.05513	1.5
57.07081	0.6
61.02908	0.3
62.86480	0.3
67.05495	1.2
69.03426	1.4
69.07070	2.5
71.04973	0.4
71.38013	0.6
72.08147	0.6
77.03919	0.5
79.05074	0.4
79.05500	5.7
81.03400	0.4
81.07069	2.2
83.04985	0.7
85.02893	0.7
87.57179	0.3
89.03924	2.4
89.06013	0.5
91.05488	3.4
93.07056	6.2
95.04970	1.5
95.08601	1.1
97.02908	0.5
98.97575	0.3
103.04800	0.6
103.05476	10.3
105.04533	0.6
105.07037	3.2
106.06593	0.4
107.04964	7.1
107.08603	6.0
109.06491	0.4
115.05476	0.4
117.03400	1.8
117.07016	3.5
119.04976	0.6
119.08602	2.1
121.02880	0.8
121.06519	2.0
121.10139	3.8
129.07007	0.3
130.06523	0.4
130.07774	1.0
131.04939	13.8
132.08104	0.7
132.12743	0.4
133.02870	1.1
133.06494	1.5
135.04428	5.1
135.08083	2.3
135.11685	2.3
143.08525	0.6
145.02898	1.3
145.06514	0.5
145.10133	9.0
147.08060	2.5
148.08842	10.3
152.86533	0.3
163.03925	19.8
163.07582	4.0
163.11186	100.0
163.14751	1.7
164.11545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02386	0.8
52.78196	0.3
53.03951	4.5
55.01878	0.4
55.05492	0.7
56.96577	0.6
57.07078	0.9
61.02937	0.4
63.02392	0.4
64.92539	0.3
66.07586	0.3
67.05512	0.4
69.03439	0.6
69.07082	0.7
71.06756	0.5
72.08156	1.5
77.03918	1.7
79.05495	4.6
79.22617	0.3
81.03389	0.6
81.07043	1.1
83.08617	0.4
84.08133	0.8
85.02921	0.8
89.03925	0.6
89.06037	0.9
91.05495	2.8
92.02639	1.7
93.07028	1.9
95.04970	5.2
95.08620	0.9
98.97616	0.5
100.02481	0.7
101.00726	0.3
102.04634	0.3
103.05473	80.3
104.04261	0.5
104.05786	0.8
105.03426	2.6
105.04517	2.5
105.07025	1.2
106.06539	0.6
107.04948	3.3
107.08608	2.9
110.01302	0.5
115.05460	2.3
117.03382	0.5
117.05762	0.6
117.07021	8.8
118.06505	0.3
119.01816	0.6
119.04922	1.0
119.08630	0.4
120.02122	0.4
120.08126	0.4
121.06509	0.7
121.10173	1.4
121.52048	0.4
121.95797	0.9
130.06522	1.3
130.52611	0.4
131.04936	100.0
132.05232	1.5
132.08087	1.9
133.02864	13.6
135.04425	15.6
135.08063	0.9
138.03085	0.5
145.06493	6.2
145.10132	0.8
145.54796	0.4
155.06088	0.3
163.03912	71.1
163.07544	14.6
163.11069	2.8
163.12323	1.7
163.14790	1.6
164.04276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03953	1.9
63.02399	1.9
65.31332	0.6
70.65016	1.4
75.76994	0.5
77.03944	1.0
79.05505	8.2
80.37387	0.5
81.07059	0.5
89.03931	63.0
89.98624	0.5
91.05507	1.5
95.05002	1.4
103.05476	6.4
103.18997	0.5
105.04510	1.0
107.04972	14.2
107.08617	1.2
116.45405	0.5
117.03394	59.1
118.03719	0.7
131.04953	8.6
135.04433	93.2
135.08041	1.5
136.04779	1.2
140.42030	0.5
145.02869	45.6
145.03896	2.2
146.03172	0.6
163.03923	100.0
163.07582	1.8
163.11183	1.0
164.04172	1.1
180.78058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0756
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02389	0.8
53.03947	1.3
58.57603	0.4
58.82997	0.4
63.02386	0.8
67.05515	0.4
69.03432	0.8
71.24208	0.8
72.08138	0.9
77.03939	1.2
79.05493	4.8
85.02908	0.8
89.03925	26.2
90.04240	0.5
91.05487	1.5
93.07025	0.7
95.04961	1.4
102.04696	0.7
103.05476	77.9
104.05812	1.0
105.04518	0.8
105.07024	0.8
107.04959	7.2
107.05634	0.6
107.08584	0.9
117.03388	25.6
117.07053	0.9
119.04915	0.4
121.06534	0.4
121.10158	0.7
131.04938	100.0
132.05278	1.3
135.04428	44.3
136.04755	0.6
141.11505	0.5
144.76067	0.4
145.02858	21.4
145.03885	0.8
145.10133	0.6
163.03918	48.6
163.07553	17.4
163.11212	1.6
164.04297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03949	2.4
55.29930	0.6
57.07082	0.6
63.02379	1.4
63.43138	0.6
69.03444	1.1
69.83099	3.3
77.03929	0.8
78.95279	0.9
79.05495	7.9
81.25223	0.6
85.02908	0.9
89.03924	54.1
90.04276	0.8
91.05491	1.5
95.04964	1.9
95.31536	0.6
98.20799	0.7
99.04477	0.6
103.05482	1.9
105.04554	1.1
107.04966	10.9
117.03389	55.3
131.04944	1.9
135.04425	83.9
136.04745	0.8
145.02861	42.8
145.03893	2.1
146.02296	0.6
160.89613	0.7
163.03915	100.0
164.04219	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
52.29664	0.6
53.03954	1.7
63.02385	1.3
70.41940	1.0
79.05501	8.4
89.03925	56.7
90.04253	1.4
95.04996	1.1
103.05497	1.6
105.04500	0.9
106.30846	0.5
107.04966	10.9
107.05638	1.0
117.03387	55.9
131.04968	2.8
133.15083	0.6
135.04428	82.8
136.04755	1.4
141.16811	0.6
145.02858	45.2
145.03891	2.1
152.56993	0.6
163.03917	100.0
164.04222	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.55164	0.6
51.40026	0.6
53.03947	1.6
57.43555	0.7
62.07261	0.7
63.02394	1.8
70.96310	1.5
76.13606	0.6
77.03947	0.8
77.32337	0.7
79.05501	10.6
79.87651	0.8
84.62505	0.7
89.03926	69.7
90.04216	0.6
91.05527	0.9
95.04982	1.9
103.05495	1.0
105.04533	0.7
107.04962	12.8
114.91441	0.7
117.03391	70.1
119.13346	0.7
119.81710	0.6
124.57018	0.6
131.04924	0.8
135.04430	96.1
145.02863	52.7
145.03912	2.6
163.03918	100.0
164.04266	2.0
173.34897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1328
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03952	1.6
55.01877	1.5
55.05510	3.3
67.05513	5.0
69.03432	2.0
69.07071	5.3
71.10597	1.3
72.08162	1.7
74.06065	0.6
78.11711	0.6
78.93159	0.7
79.05076	0.7
79.05507	10.4
81.07066	27.5
82.67413	0.6
83.08624	1.0
84.04486	2.0
85.02911	0.9
91.05488	20.2
92.05815	0.7
92.69318	0.6
93.07056	12.9
95.04967	0.9
95.08614	4.1
97.02926	0.7
101.95065	0.8
102.05559	0.9
103.03963	1.4
103.05478	4.8
105.03416	4.1
105.07042	100.0
106.07365	1.0
107.04969	1.0
107.08601	3.3
113.02391	1.2
115.03991	0.7
115.05468	9.7
117.07026	5.6
118.04181	3.8
118.06574	1.2
119.08598	56.5
119.95756	1.0
121.06538	1.1
121.10108	0.8
128.06245	1.8
131.04942	1.5
131.08572	2.9
132.05713	1.1
132.09346	1.2
133.02846	2.6
133.06519	14.7
133.10146	26.7
143.04933	1.1
143.06030	1.5
143.08568	3.2
145.06450	0.7
146.03627	2.1
146.07280	2.7
146.10922	1.0
159.11700	1.9
161.02339	2.1
161.06000	12.2
161.07205	0.5
161.09637	19.0
161.13275	57.3
162.05527	1.0
162.11334	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	161.1328
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02383	0.7
53.03955	1.6
55.01875	1.7
55.05507	1.8
60.08173	0.5
65.03951	0.6
67.05508	8.8
68.05076	0.5
69.03445	2.8
69.07077	4.5
71.52412	0.8
72.08160	1.3
73.02913	0.7
77.03943	0.5
78.93124	0.6
79.05502	12.3
81.07066	23.2
83.08660	0.7
88.02211	1.3
90.04727	0.6
91.05494	18.5
93.07049	12.3
95.04990	1.7
95.08622	5.1
97.02889	1.2
101.95034	0.8
103.03973	1.0
103.05479	8.1
104.06281	0.8
105.03407	5.9
105.07043	100.0
106.07359	1.6
107.08602	2.4
113.02357	1.6
115.05457	11.5
117.07035	3.5
118.04180	5.2
118.06566	1.3
119.08598	39.3
119.95758	0.7
120.08138	0.8
121.06500	2.3
128.06213	2.6
128.98943	0.5
131.04962	2.4
131.08594	2.0
132.05704	0.6
132.09370	0.8
133.02859	8.1
133.06511	19.8
133.10143	27.3
137.96819	0.8
143.04999	1.0
143.05968	2.6
143.08556	4.6
145.06514	0.8
146.03621	2.1
146.07315	3.8
146.10899	1.1
159.11732	1.4
161.02371	6.4
161.06003	13.0
161.07254	1.1
161.09641	30.7
161.13272	45.5
162.05473	0.7
162.09059	0.8
162.11314	1.5
162.13618	0.7
174.90643	0.5
175.44063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02383	0.4
53.03954	0.9
55.05516	4.9
65.03951	0.7
67.05513	13.9
69.07077	5.8
70.59146	1.0
77.03924	0.6
78.87405	0.4
79.05502	14.3
79.05971	0.7
81.07068	21.4
82.15977	0.3
82.40708	0.4
83.08615	0.8
91.05493	46.0
92.05765	0.4
92.28297	0.4
93.07053	15.9
95.04989	0.7
95.08613	7.9
103.05472	1.4
104.06266	0.5
105.07043	72.0
106.07370	0.8
107.08605	4.1
115.05448	0.8
117.07034	5.7
118.07809	0.5
119.08596	93.5
120.08858	0.9
121.10133	0.4
130.07811	0.8
131.08577	2.7
132.05769	0.4
132.09354	1.2
133.10147	62.7
134.10451	0.5
145.10115	0.5
146.03629	0.4
146.10950	1.1
159.11667	2.2
161.06010	1.1
161.13275	100.0
162.13599	1.4
167.23608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.06
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.19680	0.4
51.02381	0.7
53.03947	2.5
55.01874	4.4
65.03956	0.4
66.04717	1.0
67.05524	0.5
69.03432	2.0
71.44256	0.5
73.25630	0.3
77.03900	0.7
78.97593	0.4
79.05501	16.6
81.03434	0.6
81.07056	0.7
83.08625	0.4
89.03917	1.0
90.04709	2.3
91.05483	6.6
92.02638	1.0
93.07056	0.6
93.73125	0.3
95.04968	2.4
103.05474	21.3
105.04536	1.7
105.07037	100.0
106.07392	0.6
107.04953	1.0
113.02392	0.4
115.05460	27.2
116.05804	0.5
117.07042	0.9
118.04171	16.1
118.06526	0.5
119.04930	0.5
119.08585	3.5
121.06502	0.5
128.06221	1.5
131.04953	4.3
131.08647	0.5
132.05717	0.9
133.06500	55.0
133.10110	3.8
134.06854	0.7
143.04956	1.1
143.06050	6.0
143.08595	2.2
145.06497	0.7
146.03654	0.9
146.07260	1.4
159.08102	0.4
161.05997	17.0
161.08089	0.8
161.09619	15.6
161.13226	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	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03942	2.6
55.01877	4.7
59.04995	0.7
61.98941	0.7
69.68320	3.9
72.08157	1.4
79.05502	18.1
79.49417	0.6
82.70608	0.6
90.04714	3.2
91.05487	4.4
95.04988	2.0
97.02837	0.7
101.02485	0.6
103.05484	23.5
105.07042	100.0
106.07405	1.6
107.04941	1.0
115.05468	25.3
118.04174	14.8
118.05019	0.6
119.08601	4.5
122.54659	0.6
130.15854	0.7
131.04939	5.1
132.05711	1.1
132.25636	0.6
133.06506	56.8
133.10152	2.2
136.57347	0.5
143.06064	6.6
146.07231	0.7
157.00468	0.8
161.05991	16.2
161.07254	0.9
161.09630	3.2
161.13261	3.9
165.15694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02380	0.6
52.97889	0.4
53.03955	2.8
55.01879	5.2
55.05504	0.8
58.99596	1.5
66.04733	1.3
69.03408	0.5
69.07066	0.7
70.75843	1.2
72.08158	1.0
77.03946	0.7
79.05499	16.5
81.07079	0.7
85.02897	0.9
86.99046	0.7
89.03920	0.9
90.04701	2.0
91.05491	6.2
93.07036	0.6
95.01253	0.5
95.04986	2.5
97.02910	0.7
102.04690	0.9
103.05475	20.1
105.04552	1.1
105.07040	100.0
106.07391	1.3
107.04968	1.0
113.02354	0.8
115.05463	25.7
116.01714	1.7
117.07034	1.4
118.04174	16.2
118.06525	0.4
118.97164	0.5
119.08595	6.8
120.08131	0.4
124.93850	0.4
131.04947	4.4
131.08607	0.8
132.05721	1.0
133.06503	54.3
133.10112	4.1
134.05951	0.6
134.06877	0.7
143.04993	0.7
143.06046	5.9
143.08553	0.6
144.08118	0.9
146.03650	1.2
146.07356	0.7
161.04634	0.9
161.05997	18.2
161.07089	0.7
161.09595	3.8
161.10817	0.6
161.13297	5.0
162.05478	0.6
162.11296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02391	0.3
53.03961	2.3
53.83869	0.4
55.01871	4.9
55.05533	0.3
56.95291	0.4
58.40635	0.4
64.74223	0.5
66.04721	1.3
67.05504	0.5
69.03429	1.0
69.07071	0.5
71.53518	0.5
77.03942	0.6
78.93097	0.4
79.05496	16.5
81.03403	0.7
81.07077	0.7
85.02927	0.4
89.03965	0.4
90.04693	2.1
91.05483	6.2
93.07051	0.9
95.04969	2.4
98.06054	0.3
98.15817	0.3
102.04667	0.6
103.05473	22.6
105.03401	1.0
105.07033	100.0
106.07374	1.1
107.04971	1.0
113.02363	0.5
113.61279	0.4
115.05457	28.7
116.05826	0.4
116.07097	0.4
117.07014	0.9
118.04164	17.4
118.76529	0.4
119.08583	5.7
120.06634	0.4
121.06496	0.5
121.10161	0.5
128.06235	1.0
131.04942	4.8
132.05748	0.9
133.06496	55.5
133.10126	3.6
134.06819	0.8
143.04935	1.7
143.06056	6.3
143.08571	1.2
146.03648	1.3
146.07272	1.3
161.05984	20.6
161.08072	0.7
161.09616	8.7
161.13268	3.9
162.05479	0.5
162.11320	0.9
176.30281	0.3
179.43936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02362	0.6
53.03959	2.7
55.01881	4.2
65.03927	0.6
66.04716	1.3
69.03416	0.4
71.51917	0.7
75.64252	0.4
77.03919	0.5
79.05505	16.1
79.07247	0.4
82.66422	0.4
89.03921	0.7
90.04701	2.0
91.05505	5.5
92.02638	0.6
93.07057	0.4
95.04977	2.2
97.02908	1.0
102.04711	0.7
103.05480	21.7
105.04561	1.2
105.07043	100.0
106.07381	1.2
107.04952	1.3
113.02389	0.6
115.05468	26.5
116.05789	0.7
117.07027	0.7
118.04172	17.2
119.08569	1.3
131.04942	5.2
131.08643	0.5
132.05724	0.9
133.06508	56.6
133.10150	1.5
143.04970	1.0
143.06049	6.0
144.08081	1.6
146.03555	0.8
161.06006	15.0
161.08144	0.9
161.09651	4.1
161.13318	1.1
182.97084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03934	2.5
55.01874	4.7
55.05504	0.9
57.38396	0.5
65.03970	0.8
67.05508	0.8
67.23524	0.6
68.33344	0.6
68.40678	0.5
69.03422	1.3
69.07079	0.6
69.38412	1.3
69.38815	3.5
71.01350	0.8
72.08158	2.5
78.93119	0.7
79.05499	16.1
81.03384	0.8
81.07058	1.7
85.02904	1.4
86.51495	0.6
90.04688	0.8
91.05483	7.6
93.07042	1.4
95.04963	2.3
97.02902	1.5
103.05473	16.9
103.16124	0.6
105.03398	0.8
105.07034	100.0
106.07384	0.8
107.04948	1.3
113.02357	1.0
115.05459	23.1
116.05822	0.7
117.07010	1.5
118.04152	4.9
118.06545	0.9
119.08592	12.5
119.95889	0.5
128.06201	1.4
131.04916	3.9
131.08594	0.7
132.05696	1.6
133.06499	43.8
133.10092	6.4
143.03423	0.6
143.05035	1.1
143.06056	8.1
143.08571	1.7
146.03641	2.5
146.07260	1.0
161.04639	1.1
161.05994	17.0
161.09630	9.7
161.10875	0.7
161.13257	10.6
162.05547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03946	2.3
55.01872	4.1
60.19194	0.4
64.99744	0.5
66.04729	1.3
69.85936	2.4
74.25316	0.5
77.03928	1.4
79.05499	16.8
79.05968	0.8
82.09155	0.5
86.63931	0.5
89.03885	0.7
90.04721	3.3
91.05493	4.1
95.04986	1.8
98.20813	0.6
98.21334	0.9
102.04717	0.6
103.05476	23.8
105.07038	100.0
106.07370	1.4
107.04964	0.9
115.05461	27.0
118.04172	18.9
119.08598	0.6
131.04938	4.3
132.05748	1.2
133.06500	56.4
134.06854	0.6
143.04976	0.5
143.06050	6.2
161.05988	16.0
161.07260	0.9
161.09637	0.6
161.13249	0.7
162.11305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03942	2.4
53.20564	0.6
55.01877	5.6
56.96550	0.8
59.37354	0.5
63.63330	0.6
66.04705	1.0
69.57486	2.4
69.57896	1.5
74.06097	0.7
77.03945	0.8
78.93114	1.2
79.05499	17.1
81.07081	0.8
88.02235	0.8
89.03938	1.1
89.28874	0.6
90.04715	2.2
91.05500	5.5
95.04975	2.6
96.94163	1.1
101.95052	0.8
103.05480	20.2
105.03432	0.9
105.07043	100.0
106.07362	1.5
113.02439	0.7
115.05466	29.3
116.05801	0.8
117.07047	1.3
118.04175	16.1
118.06567	1.3
119.08578	5.0
119.95764	2.2
131.04930	4.8
132.05707	1.1
133.06505	55.8
133.10156	2.7
134.05995	0.6
134.06900	0.8
137.96861	0.6
143.05022	1.0
143.06062	6.1
143.08557	1.0
144.08214	0.7
161.05997	16.3
161.07100	0.8
161.09584	5.3
161.13306	2.4
162.05495	0.7
162.11357	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.5
53.03946	2.5
55.01873	4.7
60.08105	0.6
65.03960	0.5
65.60316	0.4
66.04730	1.3
69.03424	0.5
70.04919	1.3
77.03925	1.1
78.93134	1.0
79.05495	16.2
89.03941	0.8
90.04684	2.4
91.05486	4.0
92.02610	0.7
93.07031	0.5
95.04990	2.1
96.20002	0.4
102.04671	0.5
103.05477	22.1
103.27161	0.5
105.03425	0.7
105.04539	1.5
105.07039	100.0
106.07365	1.1
107.04977	0.5
112.05914	0.4
113.02402	0.5
115.05462	26.7
117.07043	1.1
118.04171	16.7
118.06551	1.2
119.04956	0.5
119.08582	1.9
119.95766	1.3
131.04936	5.2
132.05681	0.8
133.06503	57.0
133.10161	1.1
134.06868	0.7
137.96779	0.6
143.04971	0.7
143.06059	6.7
161.05986	16.0
161.09560	2.6
161.13211	1.6
162.05482	0.7
162.11241	1.1
181.13271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
53.03949	2.2
55.01877	4.6
55.18531	0.3
63.02353	0.3
65.03940	0.4
66.04728	1.2
66.96628	0.3
69.90605	1.1
77.03931	0.9
78.93147	0.4
79.05499	14.5
79.72582	0.3
89.03934	1.0
90.04703	2.7
91.05489	4.7
95.04978	2.0
101.95036	0.4
102.04653	0.6
102.32844	0.3
103.05476	20.7
103.57547	0.3
105.07038	100.0
106.07362	1.0
107.04985	0.9
110.45794	0.3
115.05463	27.5
117.07023	0.5
118.04167	18.8
119.08610	1.1
119.95717	0.6
131.04930	5.2
132.05716	1.5
133.06500	54.6
134.06870	0.4
143.04953	0.7
143.06046	6.2
161.05988	15.1
161.09587	2.1
161.13277	0.7
162.11310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	5-Methylcoumarin
Peak:m/z	Relative Intensity
53.03914	0.5
55.01865	2.2
68.99789	1.8
78.61766	0.5
79.05482	0.8
79.20539	0.4
84.38534	0.4
91.05489	17.4
93.07094	0.7
95.04948	0.5
98.46897	0.4
103.05464	3.0
104.68820	0.4
105.03407	6.1
105.07040	9.4
115.05463	66.8
116.05817	0.7
117.07059	2.2
117.07765	0.4
119.08582	0.9
127.73495	0.5
131.04961	3.6
133.06503	14.7
133.10138	0.4
143.04936	33.6
161.05991	100.0
162.06335	1.4
171.05521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	5-Methylcoumarin
Peak:m/z	Relative Intensity
53.03948	0.4
55.01872	2.5
57.54669	0.4
60.08163	0.6
68.99794	1.7
71.52706	0.5
74.06100	0.4
78.93153	0.8
79.05497	2.1
81.07068	0.4
85.02934	0.4
91.05491	19.2
92.54840	0.3
93.07067	0.6
95.04990	0.7
97.02914	0.5
100.70338	0.4
101.95033	0.5
103.03921	0.5
103.05474	2.6
105.03403	5.9
105.04510	0.5
105.07042	16.5
105.30125	0.4
111.99036	0.4
113.02416	0.6
115.05464	65.3
116.05801	0.9
117.07008	2.4
118.04165	1.2
118.06542	0.4
119.04946	0.8
119.08613	3.2
119.95766	1.3
131.04953	1.1
133.06502	17.2
133.10159	1.2
137.96819	0.5
143.04936	30.4
143.08563	0.7
145.99783	0.4
146.03612	0.4
150.63495	0.4
160.05191	0.5
161.05994	100.0
161.09525	2.8
161.13321	2.5
162.06439	1.0
162.09175	0.4
162.11287	1.4
164.84760	0.4
171.05557	0.4
184.07626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.06
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.48184	0.5
52.31502	0.5
53.03963	2.3
55.01875	4.3
55.99921	0.5
63.80151	0.5
66.04721	1.4
67.02993	0.6
69.07077	0.7
71.23173	0.8
79.05502	14.5
81.07086	0.7
87.69190	0.5
88.02225	1.6
89.03935	0.5
90.04700	1.8
91.05491	5.4
92.02639	0.6
93.04530	0.8
95.04977	2.0
102.04659	0.8
103.05480	21.4
105.04568	1.3
105.07042	100.0
106.07355	1.1
107.04931	1.2
115.05463	25.2
118.04176	16.7
119.08592	6.4
120.05595	3.4
121.06396	1.2
131.04939	3.6
132.05719	1.1
133.06505	49.6
133.10115	2.5
134.06837	0.7
143.05003	0.6
143.06059	6.3
144.67361	0.4
146.03746	0.5
161.06003	12.5
161.07080	0.7
161.08205	1.9
161.09528	0.8
161.10907	0.7
161.13264	6.2
162.11211	0.7
163.48618	0.5
171.99004	0.5
178.53299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02391	0.4
53.03958	2.4
55.01875	3.6
59.25760	0.3
65.03944	0.3
66.04729	0.9
66.86793	0.3
69.59393	0.9
69.59801	1.2
77.03949	0.9
79.05500	15.8
81.03413	0.5
89.03923	0.7
90.04710	2.5
91.05488	4.8
92.02605	0.6
95.04979	2.4
95.26522	0.4
102.04668	0.4
103.03986	0.4
103.05478	20.0
105.04548	1.3
105.07041	100.0
106.07382	0.8
107.04973	0.8
115.05469	27.1
118.04174	16.6
119.08612	0.7
131.04936	4.7
132.05714	0.9
133.06505	52.8
134.06854	0.7
143.05013	0.5
143.06055	5.2
161.05998	13.1
161.09663	0.8
161.13213	0.8
162.11244	0.8
180.13463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.06
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02399	0.8
53.03949	2.5
55.01875	3.7
66.04735	1.5
79.05070	1.2
79.05502	17.3
88.02217	0.7
90.04700	2.3
91.05490	6.7
95.05003	1.8
103.03957	1.9
103.05482	20.8
105.07047	100.0
106.07380	1.1
115.05470	29.4
118.04182	19.9
118.06545	1.6
119.08630	2.3
131.04968	5.3
132.05769	1.4
133.06514	51.9
133.10120	1.1
134.06038	0.8
142.61998	0.7
143.04982	0.9
143.06047	7.5
143.08650	0.7
144.08014	0.9
146.03621	1.2
149.06003	0.8
161.06006	16.5
161.07124	1.0
161.08154	1.2
161.09706	2.3
161.13264	2.0
162.05522	1.3
162.11264	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	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03958	3.0
55.01878	4.4
66.04724	0.9
70.80769	1.1
76.64533	0.6
77.03946	0.9
79.05502	17.1
90.04725	3.3
91.05492	4.2
92.02615	1.1
92.16713	0.5
92.77169	0.5
94.83914	0.7
95.04966	2.3
96.47328	0.6
103.05475	23.1
104.34633	0.6
105.07038	100.0
107.05022	0.6
115.05460	29.6
118.04169	18.2
128.82382	0.6
131.04915	4.4
132.05722	1.2
133.06500	56.5
134.06889	0.9
143.05026	0.9
143.06055	6.5
161.06006	14.9
170.20145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.06
Annotation	5-Methylcoumarin
Peak:m/z	Relative Intensity
53.03942	0.4
54.33674	0.3
55.01877	1.7
56.74167	0.3
58.76271	0.3
62.53389	0.3
68.99799	1.8
71.52662	0.6
73.16658	0.3
74.06115	0.4
79.05505	1.8
91.05492	17.4
93.07068	0.4
98.62650	0.3
103.05480	2.0
105.03400	6.0
105.07047	14.7
115.05467	64.7
116.05795	1.1
117.07017	2.0
117.90407	0.4
118.06573	0.5
119.04948	0.3
119.08607	0.9
129.03416	0.5
130.68347	0.3
131.04893	0.3
132.05748	0.3
133.06509	17.2
133.10141	1.0
143.04941	29.7
159.04356	0.3
160.05255	0.4
161.05998	100.0
161.09532	2.0
161.13272	1.0
162.06346	1.4
162.11279	1.3
171.05507	0.4
184.07634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48171	0.2
56.96572	0.2
58.47887	0.2
65.27495	0.2
70.14323	0.2
70.48453	0.6
76.85818	0.2
82.99850	5.2
97.26217	0.2
98.97590	1.2
100.97209	0.6
101.00891	47.1
101.95031	0.2
102.00968	1.8
102.96882	0.6
103.00661	0.3
103.02468	0.3
107.05276	0.6
111.00465	0.3
111.04410	0.3
116.05804	1.2
116.98611	0.5
119.01933	100.0
120.02017	3.6
121.02386	0.4
124.02482	0.4
125.02570	0.4
126.02286	0.2
134.99625	0.2
137.02972	16.1
138.03036	0.3
142.03508	1.5
143.01921	0.6
143.03632	2.6
144.03215	0.2
149.10425	0.2
161.02982	7.5
161.04549	0.6
162.03079	0.3
179.04036	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	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03936	2.1
55.01868	1.8
55.41273	0.7
57.56734	0.9
59.64793	0.6
66.04719	1.9
69.44028	2.5
69.44462	2.9
79.05496	10.9
82.16762	0.6
89.03909	1.0
90.04709	4.7
91.05496	6.6
95.04954	2.3
98.06081	0.7
100.19981	0.7
102.04686	2.2
103.03967	1.2
103.04798	1.3
103.05480	23.7
105.03413	1.3
105.07039	53.8
107.04935	0.9
115.05466	17.0
118.04173	46.8
119.08583	1.4
129.03392	0.8
131.04971	4.2
132.05759	0.8
133.06502	65.2
134.06845	1.0
143.06044	2.4
144.08055	0.9
146.03636	100.0
147.03937	1.2
161.05994	72.9
161.13283	1.6
162.11272	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	161.0599
Annotation	5-Methylcoumarin
Peak:m/z	Relative Intensity
53.03949	2.0
55.01878	11.5
58.14242	0.6
60.08177	1.0
67.05514	2.1
69.82510	2.5
70.38428	0.7
78.93130	1.9
79.05499	15.6
81.07066	2.3
85.02936	0.7
91.05486	26.5
92.69379	0.6
93.06999	1.4
95.04988	2.5
95.08624	0.9
98.21615	0.7
102.09184	0.9
103.05480	9.4
105.03417	0.9
105.07038	100.0
113.02430	0.9
115.05464	26.6
116.05802	1.2
117.07039	1.5
118.04112	1.2
118.06569	0.8
119.04953	19.3
119.08598	9.4
119.95738	1.9
131.04950	5.7
133.06502	84.2
133.10146	7.1
134.06859	1.1
137.96713	1.1
143.04938	19.0
143.08653	1.2
146.03629	0.7
146.07266	0.8
161.05991	23.8
161.07074	1.1
161.09641	7.8
161.10837	1.3
161.13287	12.6
162.09207	1.7
162.11252	2.3
176.53168	0.7
179.28986	0.7
181.49161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0758
Annotation	Indoleacetaldehyde
Peak:m/z	Relative Intensity
54.93549	0.3
67.04240	1.4
67.04557	0.3
70.80627	0.7
78.18347	0.3
79.05500	0.4
82.01643	0.3
82.11689	0.3
105.07038	3.1
113.63114	0.3
115.04698	0.7
115.05465	10.4
117.05773	6.1
117.07046	0.7
118.06557	0.6
130.06561	0.9
131.04915	0.7
131.07396	0.4
132.08107	13.1
133.05263	0.8
133.06506	2.5
142.06509	2.7
143.07317	1.4
146.05836	0.4
159.06805	2.4
160.07596	100.0
161.07913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08209	0.2
59.15210	0.2
65.07330	0.2
67.04243	1.3
71.09370	0.3
79.05508	0.5
91.05479	0.5
94.04184	0.5
103.05476	0.3
105.07039	4.0
107.05023	0.3
110.68671	0.3
115.05465	12.9
116.05009	0.3
117.05763	7.1
117.07024	0.6
118.06534	0.6
130.06528	1.0
131.04924	1.0
131.07347	0.6
132.08102	15.6
133.05296	0.6
133.06499	3.0
142.06551	2.5
143.07309	2.0
145.05220	0.3
145.84035	0.3
146.05981	0.6
159.06822	2.6
160.07593	100.0
161.07881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1334
Annotation	3-aminooctanoic acid
Peak:m/z	Relative Intensity
55.05514	1.1
57.07081	22.6
60.04535	0.8
67.05505	1.8
68.05038	0.6
69.03434	2.2
69.07083	0.6
70.06602	1.1
71.08739	0.4
71.51689	0.7
72.08159	6.6
74.09722	32.6
76.22844	0.4
79.05492	2.4
82.06575	0.7
82.07446	0.6
84.08155	1.3
86.06074	71.6
87.04472	6.5
91.05471	1.5
92.07897	0.5
93.07049	0.6
95.04994	1.0
95.08626	2.4
96.04529	0.8
96.08131	0.7
96.90774	0.5
98.06068	0.5
100.07629	4.1
103.05486	2.8
105.07037	14.1
114.05560	1.4
114.09178	3.9
115.05453	3.5
117.05750	0.9
117.07058	0.7
118.04166	1.8
118.06554	3.7
118.07308	0.7
118.96774	1.5
119.08587	1.5
124.07661	0.5
128.57001	0.7
129.41824	0.5
131.04897	1.0
132.08067	2.4
132.08937	1.9
133.06517	6.5
133.10152	1.2
133.11737	0.6
142.02255	1.3
142.03513	0.9
142.05003	0.7
142.08646	2.6
142.12285	100.0
143.05968	0.9
143.12602	0.7
145.06435	0.7
145.09702	1.5
160.03975	0.9
160.05177	1.7
160.07541	8.2
160.09760	2.8
160.12051	4.7
160.13358	19.2
160.14635	1.1
160.15987	0.6
161.06036	2.3
161.09587	1.0
161.13373	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25327	0.3
71.51919	0.4
71.52358	0.4
73.54301	0.3
78.04743	0.5
87.04472	0.7
89.03938	0.3
90.04718	2.4
100.07619	0.5
103.05507	0.6
104.06269	3.0
105.03423	1.8
108.27282	0.3
114.04668	0.9
114.09190	2.0
115.05463	0.9
116.06229	0.5
118.04176	1.0
131.04942	17.5
132.05731	15.6
132.08937	0.6
142.04143	1.2
142.05125	0.3
142.08664	0.7
146.03557	0.4
148.91649	0.3
160.05211	100.0
160.09612	1.7
160.16121	0.4
161.05632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36066	0.3
67.04247	1.2
70.06599	0.4
71.36296	0.6
72.08158	0.3
77.03908	0.3
79.05486	0.3
84.08160	0.6
88.61736	0.3
91.05495	0.6
94.04150	0.3
96.08140	0.6
100.07612	0.5
101.00903	0.6
105.07037	3.2
114.09187	0.9
115.05470	11.8
116.05807	0.5
117.05028	0.5
117.05780	6.2
118.06545	0.9
119.01918	0.5
130.06528	1.0
131.04929	0.8
131.07295	0.6
132.08110	14.7
133.05246	0.5
133.06499	2.7
136.21867	0.3
140.11127	0.3
142.03522	0.4
142.04929	0.4
142.06525	2.8
143.07320	1.6
159.06799	2.8
160.07597	100.0
161.07950	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68626	0.3
62.05409	0.3
68.99779	0.4
78.04708	0.6
82.39201	0.3
87.04453	0.5
89.03891	0.5
90.04700	2.8
91.05468	0.9
98.20660	0.8
100.07605	0.6
103.05447	0.8
104.06247	3.6
105.03387	2.6
105.07066	0.4
114.04672	1.5
114.05394	0.3
114.09166	1.1
115.05454	1.3
116.06263	0.7
118.04173	0.9
131.04938	15.4
132.05728	14.5
132.08887	0.5
142.04141	1.4
142.08658	0.7
146.03526	0.4
160.05205	100.0
160.09557	1.6
161.05589	1.5
161.09579	0.7
165.46080	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1171
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05505	1.0
56.96573	1.3
57.07092	0.7
57.25058	0.5
67.05509	3.2
69.95612	1.5
69.96029	1.2
70.06598	2.1
71.05012	0.8
71.06953	1.1
72.04539	0.5
72.08160	1.0
76.92924	0.8
76.93371	8.9
79.05511	1.6
81.07079	1.2
91.05488	12.0
91.06023	0.9
91.08334	0.5
93.07073	0.7
94.94420	1.5
98.09678	1.3
98.97597	1.4
99.10045	2.3
100.07620	0.7
103.05473	2.5
105.07040	13.6
113.02362	5.8
113.07967	1.7
114.06682	0.5
115.05482	4.4
116.06230	2.6
116.98628	1.2
117.07024	28.8
117.95991	10.6
117.96791	0.7
119.08593	7.8
123.04314	0.5
127.11818	0.8
128.06230	1.1
129.07022	13.3
130.07802	15.5
131.04967	3.0
131.08580	70.1
132.08928	1.1
134.99736	0.8
135.97072	3.7
141.01842	19.5
141.06985	0.9
141.14697	1.3
142.07761	1.5
142.08701	0.7
143.08635	1.2
144.09354	17.3
157.10182	3.1
158.98573	1.0
159.03043	0.9
159.04431	2.4
159.08159	4.5
159.11707	100.0
159.15758	12.7
160.09747	1.1
160.12064	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0919
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03938	1.2
55.01887	3.7
55.05275	1.2
55.05517	18.4
56.05848	0.9
56.94941	0.8
56.96571	6.1
57.03432	1.2
57.07060	1.7
57.26815	0.7
58.06601	2.0
67.05496	3.3
69.07056	2.4
70.06597	3.6
70.09435	1.9
70.09825	1.4
71.04990	2.4
71.06910	1.3
71.95263	2.6
72.04527	1.3
72.08164	49.7
73.08477	1.8
75.09239	1.3
76.93384	5.2
79.05482	2.7
81.03400	0.7
81.07048	4.9
83.08629	10.4
84.08155	14.1
85.02876	1.1
85.07098	0.8
85.08479	1.2
85.08957	1.1
86.06082	0.8
86.09693	0.9
91.05478	1.8
92.07889	32.4
92.08471	1.5
92.58037	3.2
94.94406	1.5
95.04965	0.9
95.08598	2.2
97.10193	6.2
98.06058	1.5
98.09698	1.1
98.97595	42.6
99.04432	2.2
99.08646	1.9
99.10051	1.8
99.97936	2.7
100.07634	12.1
105.07023	2.8
106.09435	2.7
107.08599	1.3
112.07584	1.2
112.11256	5.7
113.02374	8.2
113.05998	1.4
113.07937	1.0
113.10189	1.2
114.05505	0.8
114.09220	0.8
115.05462	16.3
116.98635	27.3
117.05770	11.2
117.06964	1.5
117.96028	5.4
117.98967	2.3
118.06552	3.4
118.96777	1.2
119.20281	0.8
125.09644	2.3
126.09154	1.0
127.08600	0.8
127.11766	31.7
127.61926	5.5
129.13887	3.6
130.06541	23.5
131.04948	1.3
131.06874	4.1
131.08575	2.1
132.08102	90.1
134.99687	8.5
135.97061	1.4
140.04988	0.9
140.10689	3.4
141.00748	1.2
141.01845	21.5
141.05566	0.8
141.07083	0.7
141.11513	6.5
142.02220	0.7
142.03539	0.9
142.06540	29.7
146.16519	3.9
153.00645	0.9
154.12248	1.1
155.11780	1.6
158.08427	0.9
159.09187	100.0
159.11696	5.8
159.15736	10.4
160.07613	13.3
160.09581	1.6
165.58116	0.8
166.12273	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98649	0.4
56.96571	7.6
70.06602	1.3
70.98129	0.2
71.05011	0.3
71.24320	0.3
71.24666	0.2
71.95269	2.4
84.08155	0.4
98.09722	0.3
98.97594	100.0
99.97963	0.3
110.97604	0.2
112.07621	0.6
116.98631	36.0
119.01875	0.3
131.00154	0.2
134.05725	0.2
134.99669	7.2
140.00221	1.4
153.00677	0.3
158.01291	0.6
158.15469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0806
Annotation	1-Methoxynaphthalene
Peak:m/z	Relative Intensity
50.88978	0.4
53.04003	0.7
70.06647	0.7
71.07005	0.4
71.45974	0.6
72.04617	0.4
72.08195	0.7
76.93388	3.2
79.05547	0.5
91.05492	21.6
94.06697	0.4
94.94448	0.8
97.50379	0.4
98.09726	0.5
98.97644	0.5
99.10066	0.8
103.05522	1.7
104.06303	0.7
105.07082	1.9
113.02417	2.3
113.07263	0.4
113.08000	1.2
114.09176	0.5
115.05469	6.4
116.06259	8.5
116.07024	0.7
117.07072	1.7
117.95998	4.8
118.96805	0.5
119.05022	0.7
119.08615	0.8
128.06230	0.8
129.07008	5.2
130.06546	9.7
130.07512	0.5
131.04938	9.6
131.06969	1.3
131.08577	16.0
131.09537	0.9
132.05356	2.8
132.08124	0.5
135.97017	1.4
141.01837	8.0
141.06998	7.2
141.14700	0.7
142.08716	0.5
144.05719	55.6
144.09383	1.3
145.06462	1.0
158.06009	7.9
158.07277	3.7
159.04433	2.3
159.06781	22.5
159.08044	100.0
159.11597	4.3
159.15771	5.3
160.08426	1.5
169.07571	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	0.3
57.03963	0.3
65.98343	0.3
68.05026	0.6
70.87349	0.8
81.04559	0.4
82.05326	1.8
83.06111	8.0
83.15397	0.3
84.29604	0.3
84.50903	0.3
93.04535	6.6
95.06103	7.3
98.09698	0.9
98.37257	0.3
106.27089	0.3
110.07178	100.0
111.07498	1.1
153.19907	0.3
156.07704	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	158.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98635	0.3
56.96568	6.4
70.66896	0.5
71.95267	1.9
80.50343	0.2
90.32094	0.2
98.97591	100.0
99.97946	0.4
116.98629	37.1
123.49315	0.2
126.89003	0.2
132.49719	0.2
132.96410	0.3
134.98645	0.4
134.99669	6.9
140.00204	1.5
153.00714	0.5
158.01213	0.7
158.15367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.077
Annotation	L-Histidine
Peak:m/z	Relative Intensity
53.33458	0.2
53.69529	0.2
56.05043	0.4
68.05029	0.6
69.63622	1.4
69.63975	0.4
70.06601	1.0
70.22087	0.2
73.01434	0.2
81.04547	0.4
82.05334	2.0
82.99829	0.2
83.06113	8.8
84.41804	0.2
86.06082	0.5
93.04539	6.5
95.06099	6.7
98.09701	3.8
98.20667	0.4
101.00883	2.3
110.07177	100.0
111.05591	0.6
111.07538	0.8
112.08767	0.3
114.05503	0.3
119.01938	3.5
124.02476	0.4
128.08217	0.6
132.95866	0.5
133.03506	0.4
134.11452	0.2
137.02972	0.5
138.06619	0.2
142.03499	2.6
150.96889	0.5
156.04222	0.4
156.07706	11.8
156.13829	0.9
170.46118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.05505	0.4
56.05041	0.8
56.96568	9.6
57.03436	1.9
58.99855	0.4
60.95850	0.5
61.02930	3.2
62.64565	0.3
68.05033	1.2
69.03430	1.4
69.42089	2.0
70.06596	12.0
70.95884	0.7
70.98127	0.4
70.99860	0.7
71.05005	0.6
71.06918	0.7
72.05414	0.3
72.93797	0.7
73.02925	1.7
74.99608	0.4
75.01064	0.6
78.52970	2.6
81.01029	1.9
81.04525	0.6
82.01446	4.7
82.05312	2.0
82.06556	0.4
82.99844	3.0
83.00795	0.5
83.01514	1.1
83.05024	0.4
83.06110	9.1
84.01582	1.6
84.08145	1.4
84.96046	0.6
85.01421	0.5
85.02901	1.6
86.06075	0.5
86.52681	0.6
87.00902	0.4
88.03535	0.4
89.00836	0.7
90.01559	7.0
91.00504	0.4
91.02444	0.5
92.01302	0.5
92.51850	0.5
92.52705	1.6
93.02112	0.4
93.04533	5.5
95.00784	0.4
95.01357	1.3
95.06094	6.8
95.52345	0.6
96.01550	0.9
97.01457	0.4
97.02885	0.5
97.99196	1.2
98.09698	42.1
98.97594	3.6
99.02068	3.5
99.04465	0.5
100.02492	7.2
101.00887	22.4
101.02520	2.6
101.52358	2.1
101.53273	0.4
102.00941	0.7
102.01566	0.6
102.02239	0.8
103.00546	1.0
103.01334	0.4
103.02420	1.2
104.01291	2.2
104.52868	0.5
105.02087	1.1
105.20118	0.4
110.02132	0.6
110.07172	100.0
110.52824	0.6
111.02064	2.7
111.05552	0.8
111.07523	0.7
111.98449	0.5
112.01029	1.4
112.99126	0.7
113.00883	1.1
113.01816	2.5
114.04064	2.7
114.04759	0.4
115.00646	0.6
115.02439	1.4
115.04121	0.6
115.52087	0.4
116.07103	0.6
116.98661	0.6
117.01943	0.8
118.03561	1.3
119.01927	38.7
120.01973	1.0
121.01569	0.5
121.02346	0.4
122.02345	1.3
124.02479	3.8
124.52585	0.6
126.02239	0.4
126.09168	4.0
127.03886	0.4
128.07074	0.6
128.10706	0.5
131.00177	1.8
131.01926	1.3
132.02039	0.6
132.05051	1.2
132.95871	1.4
133.01669	0.7
133.03474	6.7
135.04437	1.2
136.00728	0.6
137.02962	6.0
138.04112	0.4
138.05568	0.5
138.06621	0.4
142.03510	26.7
143.00159	0.9
143.03638	0.9
144.04930	2.7
144.55110	0.5
144.99834	0.5
149.01234	2.7
150.96913	1.3
151.04543	1.1
154.01729	0.7
156.03246	0.5
156.05154	0.8
156.06451	0.8
156.07698	12.3
156.10211	5.1
156.13847	10.9
159.01270	0.4
160.04582	4.2
161.01300	0.5
167.02278	0.6
168.01448	1.2
168.99823	1.2
172.02827	2.7
172.99281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49503	0.3
56.05043	0.8
62.76429	0.4
70.06595	2.8
70.89251	0.6
74.09725	3.4
81.04546	0.7
82.05324	2.1
83.06113	8.5
83.06607	0.5
93.04533	6.3
95.06096	8.2
96.96944	0.7
98.09706	4.0
98.10299	0.6
100.15363	0.4
100.97183	0.3
110.07178	100.0
112.05279	2.1
129.57040	0.4
130.06329	3.4
144.04855	0.4
156.04234	22.9
156.07693	10.7
156.10078	0.3
156.13860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
55.05507	0.5
56.05021	1.1
56.96569	10.8
57.03442	2.2
58.99871	0.6
61.02930	4.7
62.02444	0.3
62.96930	0.3
67.05493	0.3
67.51048	0.3
68.05024	1.3
69.03436	2.2
69.69511	1.5
70.06210	0.4
70.06597	8.4
70.95865	0.7
70.99862	1.5
71.02995	0.7
71.04996	0.7
72.93794	0.5
72.96024	0.4
73.01353	0.4
73.02924	2.0
74.00270	0.6
74.97635	0.3
75.01051	1.2
75.56701	0.3
77.00867	0.3
77.52149	0.3
78.52966	3.3
79.03018	0.5
81.01028	0.9
81.04540	0.5
82.01449	5.9
82.05324	1.9
82.06593	0.5
82.99849	3.6
83.00781	1.3
83.01526	1.0
83.05025	0.4
83.06110	9.3
83.07372	0.3
84.01569	0.9
84.07710	0.3
84.08158	2.0
84.96029	0.6
84.99263	0.6
85.01427	0.7
85.02895	2.1
85.51929	0.3
86.06120	0.4
86.51846	0.7
86.52699	1.5
87.53499	0.5
89.00807	1.0
90.01556	2.4
91.02486	0.4
92.01292	0.7
92.52696	3.4
93.02808	0.5
93.04534	6.5
94.00854	0.9
94.52456	0.8
95.00790	0.5
95.01330	1.7
95.06102	7.4
95.06702	0.4
95.52336	0.4
96.01553	0.7
97.01407	0.6
97.02879	0.7
97.99190	0.9
98.09698	51.3
98.97595	2.6
99.02074	1.1
99.09994	0.3
100.02489	8.6
100.51644	0.4
100.52397	0.6
101.00887	28.2
101.02557	2.0
101.52344	0.5
101.53234	0.6
102.00959	0.7
102.01576	0.7
102.02191	0.5
103.01379	0.6
103.02438	0.9
104.01302	0.9
105.00409	0.5
105.02057	0.5
109.52901	0.4
110.07172	100.0
111.02059	1.0
111.05602	0.7
111.07517	0.6
111.98493	0.5
112.07597	0.4
112.52395	0.5
112.99157	0.4
113.00901	0.8
113.01698	0.6
113.02384	1.0
113.08399	0.4
113.53199	0.8
114.04038	2.5
114.09175	1.1
114.52190	0.4
115.00614	0.7
115.01352	0.5
115.02422	2.4
116.98612	0.9
117.01883	0.8
118.03550	2.1
119.01927	52.2
119.03653	1.1
120.02034	1.2
121.01622	0.5
122.02332	0.6
123.04019	0.4
124.02477	4.2
126.09164	5.6
126.98811	0.9
127.03905	0.4
128.07130	0.4
131.00206	1.8
131.01904	2.1
132.01982	0.7
132.05078	1.6
132.95847	2.0
133.01682	1.7
133.03471	8.9
134.00494	0.5
134.03532	0.5
135.04425	0.5
137.02963	8.4
138.09149	0.6
142.03506	31.8
143.01947	0.3
143.03667	0.8
144.04942	1.4
144.53137	0.4
144.99849	1.0
145.03458	0.5
149.01233	2.0
150.96921	0.9
151.04541	1.8
153.53773	0.4
154.01839	0.5
154.03471	0.4
156.05296	1.6
156.06584	0.8
156.07703	12.6
156.10219	7.8
156.13843	12.6
159.01396	0.8
160.04556	6.5
161.02991	0.6
165.05122	0.7
168.01474	1.8
168.99847	1.7
172.02861	1.1
172.99365	0.6
174.06125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.5
56.05019	0.3
56.96574	0.2
57.03441	0.2
57.07084	0.2
59.80267	0.2
65.12267	0.2
67.05531	0.8
68.05036	0.7
68.60635	0.2
68.96323	0.2
69.03420	0.7
69.07040	0.3
70.06613	1.1
71.05003	0.4
71.51536	0.3
71.94109	0.3
72.08171	0.3
72.93797	1.9
77.96255	0.2
79.05499	1.4
80.05010	0.5
80.05785	0.2
81.07065	6.1
82.06581	1.1
82.07360	0.2
83.04994	0.3
83.07369	1.7
83.08625	1.1
84.04543	0.2
84.08144	0.5
87.04472	0.5
90.94843	0.7
91.05468	0.5
91.37260	0.2
93.05810	0.5
94.06549	0.3
94.07378	0.2
95.04973	0.4
95.08627	0.5
96.04495	0.4
96.05289	0.2
96.08140	0.4
97.05284	2.0
98.06083	2.0
98.09714	1.6
108.04520	0.3
108.08128	2.2
108.08854	0.2
109.06532	4.1
109.10153	0.3
110.06052	3.0
111.06844	2.8
112.04783	0.2
112.07624	0.5
112.96746	0.3
113.06036	0.2
113.96405	1.8
118.06552	0.2
124.07589	0.3
125.08366	0.6
126.05528	0.3
126.09170	4.0
130.96304	0.2
131.97456	0.8
132.12787	0.2
136.03940	0.2
136.07602	1.6
136.12041	0.2
138.05496	0.5
139.06296	3.7
148.97440	0.3
152.07071	0.4
154.08643	100.0
155.07042	0.4
155.08998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	100.0
57.07085	15.6
63.17467	2.3
63.68518	2.3
65.11019	2.3
69.07081	52.5
69.21075	21.2
70.06591	4.2
71.08643	7.0
81.07075	5.2
83.08637	49.9
84.08151	2.8
93.07026	2.9
95.06105	3.3
95.08599	5.5
97.10188	54.6
107.04990	3.6
107.08653	3.5
111.04404	2.5
111.07985	2.7
111.09209	3.4
111.11723	8.0
112.08739	5.4
125.06056	2.6
126.09166	5.5
136.03952	7.4
138.41832	2.7
153.06653	4.2
153.09088	2.9
153.10207	6.1
153.11356	6.2
154.08652	6.1
154.09779	7.4
154.12340	2.5
169.83867	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	154.0864
Annotation	Dopamine
Peak:m/z	Relative Intensity
56.96572	1.5
60.08165	1.1
61.02949	0.2
65.03947	0.7
68.96319	0.3
69.03439	0.4
70.06594	0.2
70.86078	0.6
71.94091	0.3
71.95263	0.5
81.03366	0.2
81.07053	0.5
84.08118	0.2
85.02930	0.3
90.23388	0.2
91.02322	0.2
91.05489	29.7
92.05814	0.3
95.06096	4.4
97.02918	0.2
98.97587	0.3
100.99141	0.3
101.15690	0.2
103.65968	0.2
109.06538	2.1
112.96730	0.3
112.99163	0.5
113.00863	0.4
119.04955	19.1
130.96271	0.4
131.00145	0.4
131.01886	0.6
131.96191	0.5
137.05989	100.0
138.06386	1.0
154.03540	0.4
154.04922	0.3
154.08635	1.0
154.09785	0.8
154.12241	0.4
154.13391	3.8
163.02768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00309	1.7
53.03945	2.8
55.01868	1.8
55.05523	14.1
57.07065	3.8
59.04998	6.2
65.03938	6.2
67.05511	11.4
69.03431	3.8
69.07076	22.2
70.83898	2.1
70.84227	2.2
70.94257	2.4
71.01360	1.5
71.05000	36.1
73.06562	19.9
79.05496	25.4
81.07066	88.1
83.04976	3.5
83.08614	3.8
91.05489	8.8
93.03400	5.8
93.07050	43.8
95.04981	3.0
95.08624	14.9
97.06550	17.8
105.07031	2.3
107.04956	1.8
107.08611	48.0
109.06519	3.5
109.10176	21.3
111.04455	3.3
111.08085	6.0
111.96854	1.8
117.06998	1.7
119.08606	2.0
121.02883	100.0
122.03217	1.8
125.06007	2.0
135.11719	35.0
139.41040	1.3
153.01826	1.7
153.05482	12.8
153.09145	2.1
153.12756	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00306	3.2
53.03941	2.5
55.01870	1.4
55.05519	15.5
57.03443	2.3
57.07074	4.8
59.05005	24.6
65.03947	6.4
66.41275	1.1
67.05512	9.8
69.03425	2.4
69.07071	15.2
70.46408	3.6
70.46742	1.3
70.94251	5.4
70.95869	1.5
71.04999	42.1
72.08159	1.7
73.06559	22.9
74.17339	1.1
79.05072	2.0
79.05498	29.1
81.07062	100.0
83.04984	5.7
83.08620	2.2
85.06522	2.4
91.05483	8.2
93.03406	5.3
93.07044	49.6
95.04965	6.0
95.08607	23.2
95.49142	1.2
97.02898	1.5
97.06540	11.3
105.07037	3.0
107.04957	3.8
107.08603	43.8
109.06529	2.9
109.10165	17.3
111.04434	8.5
111.08080	5.2
111.96892	4.7
119.06122	1.9
125.06030	6.2
125.09647	2.6
126.09150	1.3
135.04413	14.9
135.08113	1.4
135.11702	37.2
136.04007	1.8
139.02110	1.2
153.01874	3.0
153.05455	3.9
153.09117	2.8
153.12762	33.3
154.08658	4.8
173.06998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00307	2.2
53.03939	4.4
55.01862	1.8
55.05519	14.6
56.76652	1.7
57.07077	3.2
59.05011	8.4
65.03940	11.1
67.05521	9.0
69.03423	2.8
69.07076	24.9
69.78109	5.4
69.78522	3.8
70.94248	4.3
70.95878	2.8
71.04999	37.3
71.95245	2.0
73.06560	21.9
77.78054	1.4
79.05502	25.0
81.07061	100.0
82.07357	2.2
83.04968	7.2
83.07375	2.2
83.08617	2.8
84.08070	1.6
85.06541	2.7
85.08604	1.4
88.95289	1.4
91.05467	10.7
93.03415	9.1
93.06486	2.9
93.07050	50.2
95.04976	3.3
95.08617	8.1
97.06545	18.3
105.07050	2.5
107.04958	3.3
107.06084	1.5
107.08605	48.0
109.06557	3.2
109.10156	12.7
110.03622	2.1
111.04456	19.1
111.08097	8.1
111.96870	6.1
114.75130	1.4
125.05999	11.4
126.09152	3.2
134.05862	1.4
135.04414	3.7
135.11710	33.4
135.80516	1.5
136.03922	10.6
145.50757	1.5
153.01814	1.5
153.05449	7.9
153.06577	3.5
153.09099	3.9
153.10191	1.8
153.12759	29.1
154.08611	6.4
154.09756	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.01725	1.1
53.03936	3.1
55.05517	12.5
57.07076	1.6
59.05018	9.1
59.05276	2.1
60.08985	1.0
65.03933	3.2
67.05528	5.2
69.03416	1.6
69.07076	11.2
69.74402	5.5
69.74786	2.1
71.04998	43.2
73.06561	26.7
75.53283	1.1
76.90198	1.0
79.05072	1.7
79.05502	24.4
79.05949	0.9
81.07064	100.0
83.04986	1.3
83.08591	1.6
85.06538	1.4
91.05502	8.8
92.90662	1.0
93.03386	2.6
93.06491	2.1
93.07058	42.8
93.07642	2.6
95.04981	19.7
95.08612	8.2
97.06535	7.4
105.07032	2.4
107.04939	1.4
107.08602	40.2
109.10172	7.0
111.04436	2.4
111.08097	5.5
117.27626	1.0
119.08614	1.2
125.05970	3.5
135.04424	7.6
135.11702	33.8
152.97258	1.1
153.05420	2.9
153.09108	2.0
153.12761	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00308	1.4
53.03951	2.7
55.05519	10.9
56.29810	1.3
59.05002	7.5
62.75762	1.4
67.05511	4.8
69.07077	8.6
69.48677	9.8
71.05002	44.2
73.06561	24.9
79.05495	24.5
81.07063	100.0
83.04992	1.5
83.08614	2.1
91.05487	6.2
93.07051	42.2
95.08635	6.6
97.06552	7.1
98.21520	2.4
105.07046	3.2
107.08601	35.6
109.10158	4.8
111.08079	3.8
135.11696	35.0
153.12753	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Geranial
Peak:m/z	Relative Intensity
53.03954	2.0
55.01879	2.0
55.05267	0.8
55.05518	10.8
57.03440	0.7
57.07079	1.9
59.05015	0.8
65.03934	2.5
67.05509	11.1
69.03436	1.3
69.07074	100.0
69.49666	1.7
69.50076	1.7
70.07405	0.8
70.94248	0.8
70.95876	0.8
71.05003	4.0
73.06565	1.7
79.05499	10.3
81.07061	14.7
83.04985	17.9
83.05466	1.0
83.07374	0.6
83.08221	0.5
83.08617	3.1
85.06556	2.3
86.18687	0.5
91.05486	5.6
93.03409	1.7
93.07050	29.4
95.04993	1.7
95.08612	8.2
97.06541	49.9
98.06902	0.6
98.20827	1.2
105.07037	2.4
107.05004	0.9
107.08601	34.7
108.08949	0.8
109.06538	1.0
109.10165	27.3
111.04453	2.1
111.08092	8.8
111.96899	0.8
119.08569	1.2
125.06017	2.0
125.09626	4.3
135.04495	0.7
135.11705	9.1
136.03949	1.9
136.07355	0.7
153.05417	1.1
153.12756	55.0
154.08612	1.5
158.06976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03942	1.8
54.18763	0.6
55.01873	1.3
55.05520	5.6
57.03430	1.9
57.07070	1.8
59.04983	1.4
65.03940	7.4
67.05512	11.9
69.03428	2.2
69.07074	12.1
70.76894	1.8
70.94250	2.4
70.95830	0.9
71.05006	3.2
73.06552	1.0
79.05502	12.1
81.03392	0.9
81.07067	15.5
81.65170	0.6
83.04992	5.9
83.08623	2.7
84.89432	0.7
85.06522	0.6
89.83173	0.8
91.05494	9.4
93.03414	8.7
93.07051	66.3
94.07339	0.8
95.04964	1.5
95.08614	57.5
97.06543	11.5
105.07043	3.6
107.04954	1.5
107.08604	100.0
108.08942	1.2
109.06500	2.9
109.10166	14.3
110.03671	1.1
111.04459	7.6
111.08092	2.4
111.96894	2.4
119.06075	1.2
119.08593	0.7
121.02010	1.3
121.02877	23.5
123.06309	0.6
125.06010	6.7
129.97923	1.1
135.04480	0.9
135.08041	1.1
135.11703	45.0
136.03947	1.4
136.12071	0.8
137.42046	0.6
153.01848	1.5
153.05487	5.9
153.09077	1.3
153.12766	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00311	2.0
53.03939	3.4
53.04181	0.8
55.05521	13.5
57.07063	2.0
59.05011	8.0
63.89393	1.0
65.03939	2.4
67.05508	6.4
69.06732	1.3
69.07076	17.1
69.83032	5.2
70.94272	1.7
70.95879	1.1
71.05000	42.4
73.06567	22.2
73.07191	1.1
79.05074	1.5
79.05504	22.6
81.07066	100.0
82.16269	0.9
83.04978	3.1
83.08645	1.8
85.06547	1.7
91.05483	8.0
93.03400	2.2
93.07053	47.7
95.04967	2.2
95.08620	7.0
97.06550	11.2
98.21481	1.9
105.07018	2.7
105.77060	1.1
107.04950	1.7
107.08607	42.1
108.09026	1.0
109.06533	1.8
109.10171	8.4
111.04453	2.8
111.08099	4.8
111.96861	1.2
115.18807	1.0
119.06049	1.2
119.08614	2.1
125.05974	2.8
133.50993	0.8
135.11708	36.0
136.03960	1.3
153.05463	1.7
153.09117	1.0
153.12762	23.4
154.08618	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00294	1.7
53.03942	3.6
55.01877	2.3
55.05515	11.1
57.07079	1.7
59.04996	6.9
65.03938	4.9
67.05503	6.4
69.03449	2.7
69.07076	10.4
69.62574	9.8
70.06561	1.5
70.94254	8.8
70.95856	4.9
71.04996	37.2
71.94133	1.6
73.06184	1.8
73.06565	25.1
79.05502	23.4
81.07062	100.0
83.04993	5.3
83.08617	2.2
91.05494	8.8
92.02708	1.4
93.03428	3.8
93.07053	48.9
95.01357	7.4
95.04952	3.7
95.08609	12.7
97.04845	1.5
97.06549	8.5
97.07671	1.8
98.21554	1.9
99.60725	1.5
105.07025	2.9
107.04964	3.3
107.08610	47.1
109.06494	4.5
109.10182	9.2
110.03671	20.9
111.04446	7.3
111.08115	5.8
111.96861	7.8
111.98418	1.9
115.75559	1.4
119.08569	2.4
125.06007	32.2
125.09667	1.8
129.97975	2.9
134.21483	1.6
135.04420	2.8
135.11700	34.6
136.03952	2.5
149.42424	1.5
153.05508	13.6
153.06625	2.2
153.09131	2.7
153.12752	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00331	1.4
53.03942	2.3
55.05516	14.7
57.03446	1.2
57.07083	1.4
59.05008	6.7
61.04815	1.2
62.83073	1.1
65.03956	1.6
67.05518	6.1
69.07075	13.1
70.94229	1.4
71.05003	39.8
71.37511	2.1
73.06564	25.4
77.28864	1.2
79.05502	24.5
79.87934	1.1
81.07063	100.0
83.08636	1.3
85.06539	1.7
91.05480	7.9
93.03400	1.5
93.07055	38.2
95.04991	1.7
95.08608	8.6
97.06544	6.8
97.45740	1.4
105.07057	2.6
107.08607	37.7
109.10142	8.2
111.08091	3.4
111.96840	1.3
119.08656	2.3
135.11697	33.3
139.12273	1.2
153.12749	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	153.1274
Annotation	(-)-beta-thujone
Peak:m/z	Relative Intensity
51.02351	0.7
53.00308	1.5
53.03940	2.5
55.01877	1.2
55.05513	6.7
57.03428	1.3
59.05003	23.3
65.03947	3.2
65.19650	0.7
67.05504	9.0
69.03435	2.4
69.06680	0.9
69.07069	18.0
70.64323	0.8
70.64656	1.8
70.94261	5.7
70.95882	3.5
70.96215	0.8
71.04994	50.4
71.94093	1.0
73.06562	9.0
76.20956	0.7
79.05489	9.8
81.07057	100.0
83.04991	2.9
83.08624	1.5
91.05486	8.8
93.03417	1.5
93.07047	40.7
94.07368	1.0
95.04962	3.3
95.07685	0.8
95.08616	15.6
97.06529	35.4
99.73643	0.7
105.04523	1.3
105.07027	1.0
107.04952	2.2
107.07872	1.5
107.08598	24.5
107.09313	1.6
109.06516	1.8
109.10156	22.9
111.04446	4.9
111.08084	14.7
111.96865	5.2
111.98492	1.5
125.06010	2.6
125.26688	0.7
129.97939	2.4
135.04407	1.0
135.11685	16.4
136.07495	0.8
153.05484	2.6
153.09094	1.7
153.12746	62.4
154.13121	1.2
161.30940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03936	4.0
53.13061	1.3
55.05511	11.9
57.07076	2.3
58.02943	2.1
59.04997	6.7
64.57304	1.7
65.03954	2.3
67.05518	7.9
69.07077	15.1
70.75985	3.1
70.76360	2.9
71.05002	40.3
73.06566	20.5
79.05500	25.0
81.07068	100.0
83.04987	3.8
83.05852	1.5
83.08622	2.8
91.05489	8.5
93.03459	1.8
93.07053	45.6
95.08602	12.2
97.06560	7.7
105.07014	3.4
107.04905	1.7
107.08604	40.3
108.05275	2.1
109.10152	7.6
111.04472	1.8
111.08083	2.7
111.96899	2.2
119.08594	1.8
125.06007	2.2
126.09117	1.6
135.11697	34.9
136.04103	1.8
136.07152	8.8
153.05551	2.5
153.07448	3.5
153.12781	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03942	2.7
55.01879	1.7
55.05513	15.9
57.03420	1.1
57.07071	2.3
59.05003	8.0
63.11884	0.9
65.03944	13.3
67.05519	9.6
68.99805	2.3
69.03420	3.0
69.06718	0.7
69.07068	19.9
70.06589	1.1
70.94260	8.7
70.95863	3.4
71.04998	35.5
71.94112	1.8
72.08146	2.0
73.06561	23.2
75.04522	1.2
76.65651	1.0
79.05500	29.1
81.03427	1.6
81.07064	100.0
83.04996	8.6
83.07364	1.5
83.08648	2.6
84.08122	1.1
85.06551	2.8
85.42995	1.0
88.95303	2.1
91.05490	9.5
93.03420	10.7
93.07050	52.3
95.04981	7.7
95.08612	14.5
97.06532	15.5
99.90849	1.0
105.07040	3.7
107.04956	7.0
107.07875	2.1
107.08604	42.2
109.06517	4.1
109.10165	13.9
110.03706	2.1
111.04452	20.0
111.08097	8.6
111.96872	7.9
119.08602	2.1
121.02847	2.3
125.06011	12.9
125.09686	1.8
126.09199	1.8
126.37260	1.3
129.97919	2.3
135.04463	6.2
135.08083	4.3
135.11703	35.6
136.03952	4.3
136.07588	2.7
152.06319	1.1
153.01828	4.4
153.05498	16.1
153.06679	2.8
153.09131	8.3
153.10196	1.5
153.12750	25.2
154.04988	1.7
154.08644	4.4
154.09793	1.2
154.12210	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1277
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.84387	1.3
53.00314	2.5
53.03947	2.1
55.05519	12.8
57.07071	2.2
59.05009	9.9
65.03946	1.7
67.05505	6.9
69.03436	1.7
69.07079	10.8
70.05709	4.7
71.05006	41.1
73.06564	21.7
79.05499	20.8
81.07067	100.0
83.04981	1.3
91.05486	7.5
93.03415	1.9
93.07058	45.2
95.04984	1.3
95.08628	8.3
97.06541	8.4
102.24438	1.2
105.07066	3.5
107.08606	42.4
109.06546	1.8
109.10173	11.7
111.08094	4.2
119.08598	2.1
134.41972	1.1
135.04381	1.3
135.11716	36.8
136.12076	1.9
148.48837	1.1
153.12761	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1277
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03951	3.8
55.05512	14.5
59.04996	7.1
65.03931	3.5
67.05487	5.3
69.03457	2.0
69.07080	14.1
70.21526	5.9
70.21922	3.5
70.94257	3.4
71.05005	44.4
73.06570	21.3
79.05503	26.4
81.07066	100.0
83.04999	2.5
91.05480	8.1
93.03376	3.7
93.06487	2.7
93.07056	48.1
95.08607	9.8
97.06527	7.8
98.21495	2.2
105.07046	3.3
107.08606	48.1
109.06486	2.4
109.10184	10.5
111.08067	4.2
111.96885	2.1
123.83432	1.9
135.11723	35.9
153.05461	2.8
153.12752	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03943	2.8
55.05515	13.0
57.07081	1.6
59.05007	6.7
65.03940	3.1
67.05518	10.5
69.07080	14.9
69.63481	8.5
70.94267	1.8
71.05000	32.6
73.06567	20.2
74.54356	1.5
79.05505	24.4
81.07066	100.0
83.04973	2.9
83.08605	3.3
91.05497	7.5
93.03400	2.1
93.06483	2.9
93.07054	46.5
95.04963	1.8
95.08625	13.5
97.06548	12.8
105.07053	3.9
107.04950	1.9
107.08611	43.3
109.10174	14.3
111.04451	2.6
111.08068	5.5
114.50996	1.6
125.06006	3.0
135.06339	2.4
135.11705	52.0
136.07158	9.5
153.05490	1.7
153.07291	1.9
153.09177	3.2
153.12772	39.0
154.08612	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03941	5.1
55.05523	13.9
56.96562	2.1
57.03440	3.0
59.04992	6.1
65.03927	12.1
67.05505	10.6
69.03423	3.6
69.07075	20.0
69.19872	2.2
70.94225	3.5
70.95866	4.3
71.05001	36.0
71.52853	2.8
72.08142	2.1
73.06560	17.2
79.05501	22.7
81.07059	100.0
83.04974	4.7
83.08604	4.0
84.77148	2.0
91.05493	9.8
93.03394	6.9
93.06489	2.6
93.07048	45.2
95.04967	5.9
95.08629	14.5
97.06541	14.5
103.31010	1.7
105.07006	2.2
107.04945	6.6
107.08603	51.2
109.06520	6.5
109.10164	16.3
110.43021	2.0
111.04463	19.9
111.08106	6.3
111.96914	2.1
125.06039	11.4
135.04410	4.8
135.08072	2.5
135.11693	40.1
136.03946	21.8
136.07513	2.7
153.05446	7.7
153.06601	5.2
153.09116	5.1
153.10187	2.4
153.11490	3.0
153.12762	29.6
154.08600	4.4
154.09752	3.6
173.09914	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00314	1.9
53.03939	3.8
55.05523	13.3
57.03427	2.8
57.07080	12.3
59.05014	10.4
60.31230	1.3
63.27720	1.3
65.03934	5.9
67.05504	12.7
69.03439	2.9
69.07073	17.4
70.94269	6.4
70.95869	2.5
70.97009	2.3
71.05003	41.0
73.06568	19.9
79.05061	2.5
79.05501	27.1
81.07066	100.0
82.07426	1.6
83.04980	6.2
83.08646	3.3
84.21665	1.3
85.06504	1.4
88.95279	2.0
91.05505	11.3
93.03403	5.0
93.07051	49.3
95.04968	5.8
95.08601	16.7
97.06541	30.6
105.07011	3.3
105.84849	1.5
107.08606	46.8
109.06519	3.9
109.10159	22.6
109.10840	1.9
111.04453	6.3
111.08092	8.6
111.96894	5.1
112.20463	1.4
119.08603	3.1
121.06532	2.8
125.06010	5.4
125.09632	2.0
129.97963	3.2
135.04439	2.1
135.11716	41.4
136.03967	2.0
153.05510	9.8
153.06612	2.2
153.09105	5.1
153.12764	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	(+)-alpha-thujone
Peak:m/z	Relative Intensity
52.04748	1.3
53.03952	3.3
55.01888	2.0
55.04222	1.1
55.05509	7.3
59.05009	19.9
62.09944	1.4
63.11604	1.4
63.55980	1.4
65.03940	4.8
67.05508	9.9
69.03439	2.8
69.06791	1.3
69.07079	16.0
69.55051	3.4
69.55459	7.6
70.94258	7.4
70.95862	4.5
71.04602	2.7
71.05000	49.7
73.06565	11.5
79.05499	13.1
81.07064	100.0
83.04984	4.8
83.07388	1.6
91.05492	10.6
93.03399	5.5
93.07053	40.8
95.04960	3.7
95.08611	17.4
97.06538	31.4
105.07072	1.7
107.04987	2.5
107.08611	24.2
109.10171	22.6
111.04449	9.1
111.08101	14.0
111.96891	8.6
125.06017	5.3
128.18048	1.3
129.97949	2.0
135.04355	1.7
135.06381	1.8
135.11707	18.7
136.03954	3.3
136.07584	2.0
153.01796	2.3
153.05498	3.8
153.06654	1.8
153.09142	4.0
153.12761	70.5
154.08632	5.3
160.99928	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03933	2.3
55.01857	1.8
55.05516	12.0
57.03441	3.0
57.07077	2.7
59.04996	7.6
64.49151	1.5
65.03937	5.1
67.05517	14.3
69.03422	5.0
69.07081	16.3
69.15506	14.2
69.15913	3.4
70.94270	2.9
71.04997	22.5
73.06567	11.4
79.05503	24.9
79.99052	1.6
81.07064	62.1
83.04980	13.1
83.08591	3.4
91.05511	8.4
93.03415	6.8
93.07056	78.0
95.04995	3.9
95.08619	46.5
97.06542	42.7
98.21547	3.0
99.47712	1.8
107.04935	4.6
107.08610	100.0
109.06526	3.0
109.10166	42.4
111.04453	5.7
111.08066	5.6
112.55614	1.8
121.57450	1.7
125.06004	7.2
135.04468	3.0
135.11707	74.9
136.03949	5.8
153.05502	3.7
153.06654	1.9
153.09143	2.4
153.10184	2.6
153.11513	4.1
153.12761	68.1
154.55673	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.85479	2.1
53.03959	4.0
55.01860	2.2
55.05512	14.0
57.03431	3.3
57.07074	8.4
57.56934	1.9
58.13861	1.8
59.05005	9.6
65.03937	18.8
67.05523	12.6
68.99792	3.0
69.03433	4.8
69.07073	13.9
69.67201	5.0
69.67590	5.7
70.06580	1.9
70.06963	1.8
70.94254	7.4
70.95872	2.5
71.05000	44.2
73.06557	20.5
79.05505	26.1
81.07065	100.0
83.04966	6.5
83.08627	2.8
89.89736	2.3
91.05473	12.3
93.03419	19.3
93.06494	2.8
93.07056	50.3
95.04983	72.5
95.08630	13.0
97.06550	22.5
98.21552	2.0
101.55400	2.4
105.07038	4.0
107.04957	4.7
107.08611	53.9
109.06517	10.0
109.10179	17.5
110.03680	3.6
111.04455	16.4
111.08082	11.8
111.96859	4.9
121.02882	74.4
122.03262	2.4
125.06010	15.9
126.09160	2.5
135.04436	4.8
135.08101	3.6
135.11702	36.1
136.03964	3.7
153.01828	16.7
153.05510	17.2
153.06569	4.4
153.09102	5.3
153.12772	27.9
154.08632	5.3
172.01910	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03947	3.2
54.39891	1.2
55.01873	1.7
55.05521	16.3
57.03439	1.2
57.07075	1.2
59.05012	6.4
60.12208	1.1
65.03948	7.1
67.05504	9.0
69.03425	3.4
69.06727	1.6
69.07076	17.7
69.23342	5.3
69.23766	5.2
70.06628	1.1
70.30961	1.0
70.94267	9.6
70.95858	3.2
71.05000	36.8
73.06185	1.5
73.06565	23.3
79.05076	1.5
79.05502	22.8
80.31849	1.2
81.07064	100.0
83.04973	5.3
83.08612	2.9
85.06545	1.9
88.95305	1.6
91.05494	8.3
93.03400	5.3
93.07050	39.6
93.07636	2.2
94.04195	1.1
95.04948	6.1
95.08627	10.0
97.06535	10.1
98.20606	2.1
105.07072	1.7
107.04960	3.5
107.07875	2.2
107.08606	41.5
109.06509	2.6
109.10165	10.3
111.04436	9.7
111.08075	5.1
111.96893	8.6
119.08553	1.3
125.06020	7.4
125.09627	2.2
129.97885	4.2
135.04448	2.2
135.08043	2.2
135.11699	30.7
137.06003	2.3
153.04387	1.7
153.05476	8.3
153.09094	5.1
153.10175	1.8
153.12753	21.3
153.13960	2.2
154.04987	1.2
154.08643	1.3
160.56824	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03939	5.1
55.05515	12.3
57.07073	2.3
57.61290	1.6
59.05007	9.4
65.03941	3.7
67.05495	7.8
67.34891	1.6
69.07069	13.3
70.94254	7.6
70.95862	5.5
71.05003	37.8
71.53231	2.2
72.08147	2.6
73.06562	24.0
79.05501	26.9
81.03410	7.6
81.07063	100.0
82.03738	5.0
83.04958	4.0
83.08627	2.0
88.95328	2.4
91.05476	9.6
93.03396	2.5
93.06479	3.6
93.07050	48.0
95.04957	5.6
95.08626	10.5
97.06527	13.0
100.51050	2.6
107.04972	3.2
107.08608	41.2
108.09889	1.7
109.06570	2.3
109.10124	9.1
111.04426	4.3
111.08065	5.6
111.96880	5.3
125.05981	2.6
125.91546	1.6
129.97917	2.8
135.04440	2.1
135.11699	33.4
136.07568	2.5
152.35220	1.7
152.50575	1.9
153.05460	5.1
153.09103	2.4
153.12772	26.0
154.08640	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03937	4.2
55.01871	2.9
55.05515	14.6
57.03462	2.8
58.02960	3.3
59.04998	7.9
65.03943	9.9
65.11553	1.3
66.06061	1.2
67.05510	7.6
68.99754	1.2
69.03427	2.1
69.07074	13.5
69.84547	1.3
70.47664	3.9
70.94258	9.8
70.95860	5.8
71.04998	35.7
72.08138	1.9
73.06557	21.9
79.05499	23.8
81.07062	100.0
82.07349	1.6
83.04971	5.0
83.08617	2.9
88.95286	3.2
88.96920	2.0
91.05497	10.2
93.03397	7.4
93.07048	51.2
95.04979	4.0
95.08607	9.4
97.06547	10.5
105.07021	3.2
107.01668	1.3
107.04958	4.8
107.06921	1.2
107.08598	42.5
108.05283	2.6
109.06557	1.5
109.10143	7.1
111.04433	11.2
111.08080	5.4
111.96861	8.9
112.96739	2.1
119.08546	1.5
125.06004	9.5
129.97882	3.5
135.04457	3.4
135.06378	1.9
135.11703	31.4
136.07132	13.3
153.05511	6.4
153.07420	4.3
153.09111	4.1
153.12730	20.1
154.04897	1.7
154.08549	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03946	2.4
55.01887	1.3
55.05525	9.0
56.02763	1.1
56.53480	1.2
57.03435	2.5
57.07071	1.6
59.04999	8.3
61.40299	1.2
65.03948	6.8
67.05519	9.6
69.03413	1.9
69.07071	18.0
69.94078	1.2
70.94254	4.6
70.95872	3.0
71.03806	2.2
71.05001	37.8
73.06179	1.6
73.06564	24.4
79.05495	23.9
81.07065	100.0
82.14297	1.3
83.04973	4.2
83.08620	3.7
85.06554	1.8
88.95324	1.6
90.50771	1.4
91.05488	13.1
93.03432	6.3
93.07053	49.7
93.07642	3.1
93.83303	1.0
95.04987	4.1
95.08606	15.9
97.06542	15.1
98.61067	1.1
105.04480	1.5
105.07041	2.7
107.04969	1.5
107.08607	54.2
107.27914	1.2
109.06522	2.0
109.10166	12.7
111.04443	7.4
111.08096	4.6
111.96870	3.4
113.89250	1.2
117.07073	1.2
119.08546	2.0
125.06016	4.5
129.97971	1.2
133.54810	1.3
135.10707	2.0
135.11703	35.3
136.03909	2.1
153.05518	6.3
153.09111	1.9
153.10228	3.0
153.12747	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0548
Annotation	(S)-Mandelate
Peak:m/z	Relative Intensity
53.03944	1.0
55.01889	0.4
55.05527	0.6
56.96568	0.7
57.03428	0.3
64.07195	0.2
65.03946	2.7
67.05506	0.8
68.96339	0.3
68.99780	0.3
69.03426	1.0
69.07079	0.7
70.94257	0.9
70.95858	1.2
71.04996	0.3
71.05774	0.5
71.06129	0.4
77.03929	0.3
79.05497	3.4
81.03442	0.4
81.07059	0.8
82.06585	0.3
83.04990	1.0
83.07340	0.5
84.61543	0.2
88.95280	0.2
91.05481	0.6
93.03419	2.8
93.07052	1.4
94.04186	0.4
95.04977	5.2
95.08599	0.8
97.06549	1.2
105.04523	0.4
105.07054	0.3
105.92258	0.2
107.04964	100.0
107.08598	1.7
108.05265	1.2
108.08131	0.3
109.06533	1.3
109.10162	0.7
109.98985	0.3
110.03651	0.4
110.09710	0.4
111.04446	4.0
111.08097	0.9
111.96890	0.6
121.02875	0.3
125.05997	2.8
125.09656	0.3
126.09180	0.5
130.96321	0.6
135.04427	39.3
135.08066	0.8
135.11667	0.6
136.03879	0.5
136.04807	0.4
136.07602	0.5
148.97371	0.6
153.01849	0.5
153.04323	0.5
153.05498	4.5
153.06596	0.5
153.09062	0.6
153.10187	0.5
153.12737	1.0
154.08621	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	4-Hydroxyphenyl acetate
Peak:m/z	Relative Intensity
50.20132	0.4
55.05519	1.1
56.99591	0.4
57.03436	0.5
57.12262	0.4
65.03944	62.4
67.05499	1.0
68.05043	0.4
69.03440	0.9
69.07072	1.9
70.49772	0.4
70.60250	1.3
70.79708	0.4
70.94270	0.8
70.95862	0.7
71.04996	0.8
73.22653	0.4
79.05505	1.7
81.07062	2.2
83.04993	0.7
89.43691	0.4
91.05483	0.7
92.63274	0.4
93.03411	51.0
93.07050	3.3
95.05000	1.1
95.08627	0.9
97.06546	2.5
97.91419	0.4
107.04958	1.7
107.08607	2.4
107.09238	0.5
109.06550	0.9
109.10145	1.0
110.03674	9.5
110.04382	0.7
111.04448	100.0
112.04797	1.1
114.67265	0.5
115.49360	0.5
115.52078	0.5
124.08800	0.6
125.06000	64.9
129.97958	0.4
134.06032	8.0
135.04463	0.8
135.06424	0.8
135.11688	1.4
136.03970	1.7
136.07167	0.5
145.04958	0.5
153.05482	25.5
153.06508	1.1
153.09081	1.1
153.12772	2.0
153.13905	0.6
154.08600	0.8
162.02492	0.4
169.42882	0.4
171.01393	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0548
Annotation	Methyl 4-hydroxybenzoate
Peak:m/z	Relative Intensity
53.03936	0.7
55.01882	0.3
55.05502	1.4
55.76641	0.3
57.03452	0.8
57.07077	0.6
59.05005	3.8
59.39963	0.4
62.29156	0.3
63.63662	0.3
65.03945	5.2
65.66859	0.4
67.05505	2.4
69.03426	1.2
69.07071	1.4
69.74268	2.0
70.94261	1.4
70.95869	0.5
71.04997	2.0
73.06543	0.7
78.91335	0.3
79.05495	3.0
81.07058	5.4
83.04987	1.1
83.08630	0.7
91.05482	1.6
93.03413	3.6
93.07052	6.7
95.04971	3.8
95.08619	6.5
97.06528	2.4
105.07024	0.6
107.04976	0.5
107.08605	10.0
109.06530	2.2
109.10162	3.9
110.03619	0.6
111.04453	2.8
111.08096	1.1
111.96899	1.2
121.02880	100.0
122.03185	1.1
123.08080	1.2
125.05998	1.6
125.09631	0.7
129.97937	0.7
135.04411	0.6
135.08075	0.6
135.11702	5.3
136.03941	0.5
153.01955	0.3
153.05489	9.2
153.06570	0.4
153.09111	1.1
153.12762	7.2
154.08748	0.4
174.05847	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0548
Annotation	(S)-Mandelate
Peak:m/z	Relative Intensity
52.86242	0.1
53.03947	0.5
55.01852	0.1
57.07087	0.1
65.03937	0.4
67.05514	0.3
68.40952	0.1
69.07063	0.4
70.11060	0.5
70.94290	0.1
75.94913	0.1
77.03911	0.3
79.05502	1.2
81.07057	0.7
81.73331	0.1
83.04971	0.1
93.03389	0.4
93.07040	0.5
95.04976	5.3
95.08634	0.2
96.05291	0.2
104.19889	0.1
105.04527	0.4
107.04964	100.0
108.05273	1.2
109.10168	0.3
111.04437	0.7
111.08099	0.2
125.05990	0.3
125.09576	0.1
135.04427	38.4
135.11635	0.2
136.03949	0.4
136.04778	0.4
136.07153	0.5
153.05489	2.7
153.06554	0.1
153.09178	0.1
153.12709	0.3
154.08691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.1071
Annotation	N-Methyltyramine
Peak:m/z	Relative Intensity
53.03947	0.9
55.01860	0.2
56.96561	0.4
65.03938	0.2
66.88583	0.1
68.12187	0.1
70.65248	0.4
72.16940	0.2
77.03903	0.4
79.05476	0.5
81.01515	0.2
84.04530	0.2
91.05486	4.5
93.07052	8.8
95.04964	1.0
103.05477	5.7
105.04533	0.5
106.06558	0.4
107.04969	1.4
109.05137	0.4
110.03548	2.3
110.06030	0.3
110.97575	0.7
121.06515	100.0
122.06853	1.4
123.04442	0.4
124.07576	0.2
125.22208	0.2
128.04575	0.4
128.98631	0.4
134.04633	0.2
134.06027	0.9
135.03043	4.8
135.04417	0.8
152.05714	20.7
152.07045	3.7
152.10696	2.6
153.04099	4.4
153.05365	0.3
153.05965	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0708
Annotation	Streptokordin
Peak:m/z	Relative Intensity
51.17427	1.4
53.03941	3.9
54.04280	1.7
55.01864	6.4
55.05275	1.8
55.05517	27.1
56.05822	2.6
56.96566	5.4
57.03401	2.4
57.07050	2.1
58.02966	20.5
58.06594	4.9
65.03928	7.7
67.05502	7.4
68.05032	3.3
68.05820	2.5
69.03426	2.4
69.07076	23.8
70.06578	6.4
70.57992	1.7
70.58344	4.1
70.94263	3.3
70.95855	2.1
71.04994	1.7
72.08163	100.0
73.08479	2.2
75.09244	3.6
79.05083	1.7
79.05506	21.8
80.05004	6.5
80.05799	2.0
81.03407	5.7
81.07058	8.8
82.03777	2.4
82.06577	3.4
82.07381	3.5
83.04983	3.7
84.08154	22.8
91.05476	7.3
92.05818	5.3
92.07883	34.4
92.58038	6.4
93.03414	3.8
93.07037	11.0
94.04177	4.3
94.06556	2.2
94.07370	3.5
95.04447	2.0
95.04979	15.4
95.08611	7.8
96.04485	3.9
96.05290	1.9
96.08114	12.3
96.08942	3.2
97.06515	4.3
97.10162	5.5
100.07617	13.1
105.04536	2.2
106.06583	19.2
106.07288	3.0
107.04967	39.9
107.08582	3.8
108.04520	3.3
108.05747	3.5
108.08123	3.5
108.08912	2.5
109.05251	1.5
109.06503	3.7
110.06068	7.8
110.06758	2.0
110.10510	2.1
110.97549	2.7
111.04438	7.3
111.08068	1.9
111.96864	3.0
112.05358	1.6
112.07588	1.5
112.11260	15.2
118.06520	5.6
119.04911	1.6
120.04420	3.6
120.05131	1.5
120.05709	5.5
121.02837	1.8
121.06503	1.8
121.10205	1.8
122.06055	1.5
124.03921	6.8
124.07614	15.2
124.08420	3.3
125.05977	5.3
129.13875	5.3
129.57748	1.8
129.97963	2.1
130.15829	1.6
134.06024	44.7
134.12534	17.3
135.04427	5.3
135.06813	90.1
136.03894	1.7
139.11137	2.1
143.01920	1.7
143.13011	1.8
146.16444	3.0
146.99628	3.4
152.01645	10.6
152.03392	7.4
152.04269	9.9
152.05585	5.0
152.07025	78.0
152.07909	4.0
152.10594	14.6
152.11693	2.1
153.05481	9.0
153.09126	2.2
154.12273	17.6
155.12650	1.7
171.96106	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0708
Annotation	N-METHYLANTHRANILIC ACID
Peak:m/z	Relative Intensity
53.03954	0.2
59.05011	0.1
65.03920	0.2
70.39658	0.3
70.39977	0.1
71.17501	0.1
77.03925	0.3
78.04697	0.4
79.05503	2.6
80.05033	0.1
81.07063	0.2
89.03925	0.2
91.05492	6.2
92.05792	0.1
92.39989	0.1
93.07053	0.2
95.04994	0.2
98.21384	0.1
104.05030	0.1
105.03417	0.6
106.04231	0.3
106.06572	10.3
107.04983	0.3
109.06545	0.7
116.04997	7.7
119.06090	0.5
127.03386	0.1
132.04488	0.4
134.06032	100.0
135.06361	1.2
152.04315	0.2
152.07068	3.0
152.08266	0.1
164.65582	0.1
172.94371	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0708
Annotation	cis-indole-2,3-dihydrodiol
Peak:m/z	Relative Intensity
53.03954	1.5
57.62418	0.7
58.02704	1.4
58.02971	22.6
69.07056	1.0
70.29786	2.7
70.98523	0.8
76.03992	1.0
79.05505	7.6
81.03424	0.9
81.07059	1.1
88.00498	1.1
91.05482	3.2
92.82994	0.8
94.04208	3.9
95.04982	13.7
96.08152	1.2
96.58030	0.8
100.63890	0.7
106.06567	11.7
107.04971	31.0
107.07366	0.8
107.08611	1.3
108.05842	4.7
115.23779	0.7
117.05782	1.1
118.04202	1.7
118.06538	7.4
119.04958	1.8
120.04457	4.4
120.05741	8.8
124.07634	1.7
134.06038	27.5
135.06819	100.0
152.01643	1.2
152.07005	32.1
152.10716	2.6
152.14426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0708
Annotation	cis-indole-2,3-dihydrodiol
Peak:m/z	Relative Intensity
53.03932	2.1
55.01865	0.9
55.05499	0.8
56.96545	1.2
58.02965	20.3
65.03927	1.4
67.05508	1.5
69.07051	2.3
71.35300	0.8
71.52551	0.9
76.04027	0.8
79.05492	9.1
80.05014	1.2
81.03425	4.3
81.07034	2.6
82.07387	1.0
85.70328	0.7
88.00471	1.6
91.05469	3.4
92.04977	0.8
92.05801	0.8
93.03387	1.1
93.07025	1.4
94.04166	3.6
94.06525	1.0
94.07378	0.8
95.04977	14.3
96.08115	3.2
97.39568	0.8
99.51279	2.4
106.06567	11.3
106.07288	1.5
107.04964	30.5
107.08572	1.4
108.04477	1.0
108.05787	4.3
108.08897	1.2
109.10097	1.7
110.06037	1.7
111.96829	1.0
116.05048	0.9
118.04153	2.0
118.06567	8.5
119.04922	1.8
120.04461	4.6
120.05714	8.4
121.06482	2.0
124.03918	1.6
124.04749	0.8
124.07552	3.3
125.05973	1.5
134.06027	27.2
135.06807	100.0
136.07146	1.4
151.68297	0.9
152.01653	3.9
152.03343	1.7
152.07031	37.6
152.10606	6.4
152.11697	1.3
153.05429	1.6
153.12665	1.1
173.42366	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0708
Annotation	cis-indole-2,3-dihydrodiol
Peak:m/z	Relative Intensity
53.03959	0.9
53.79078	0.5
58.02967	22.4
65.03947	0.6
70.69005	1.1
79.05506	6.7
81.03382	0.5
91.05488	3.0
93.03389	0.6
94.04193	4.1
95.04977	14.0
106.06561	9.8
107.04962	29.6
107.07342	1.3
108.05776	4.6
116.04990	1.1
117.05693	0.5
118.04161	1.3
118.06557	8.2
119.04960	2.4
120.04493	3.7
120.05737	8.2
134.05016	1.1
134.06027	24.1
135.06808	100.0
136.07126	1.7
144.05553	0.8
152.07079	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	152.0706
Annotation	cis-indole-2,3-dihydrodiol
Peak:m/z	Relative Intensity
53.03996	0.7
55.05559	0.3
55.52616	0.3
58.02707	1.7
58.03024	20.8
65.03984	0.7
67.05538	0.4
70.91161	0.8
75.20638	0.4
76.04039	0.5
79.00794	0.4
79.05497	6.9
80.05041	0.7
81.07116	1.0
82.37279	0.3
89.03947	0.4
91.05491	3.6
91.26760	0.3
94.04194	4.0
95.04979	13.8
96.08163	0.9
106.06570	11.0
107.04964	26.3
107.07373	1.2
107.08592	0.4
108.05777	4.3
110.06094	0.5
110.06877	0.6
111.04413	0.5
116.05003	1.1
117.05798	0.9
118.04185	1.7
118.06547	6.7
119.04968	2.0
120.04474	4.3
120.05748	7.1
124.07603	1.0
133.05284	0.4
134.06030	24.3
135.06807	100.0
136.07146	1.0
144.05586	0.8
151.30234	0.4
152.01645	0.6
152.07047	28.8
152.10565	1.8
153.12784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	cis-indole-2,3-dihydrodiol
Peak:m/z	Relative Intensity
53.03963	0.9
56.66311	0.4
56.96615	0.4
58.02964	22.1
59.70565	0.3
62.73638	0.3
62.83023	0.3
65.03967	0.7
67.05539	0.5
79.05494	7.9
79.05897	0.5
81.03414	0.4
85.12547	0.4
91.05464	2.6
92.05023	0.7
93.07048	0.8
94.04185	3.9
95.04969	13.1
96.08150	0.7
97.01031	0.4
98.21519	0.8
106.06561	9.6
106.07250	0.7
107.04960	29.1
107.07365	0.8
107.08634	0.6
108.05763	4.6
110.06088	0.5
116.04985	1.4
117.05801	0.9
118.04224	1.8
118.06533	6.5
119.04961	2.0
120.04472	4.4
120.05734	7.2
124.07610	0.8
134.06023	25.1
135.06799	100.0
136.07133	0.8
144.05553	0.6
152.01590	0.6
152.03427	1.1
152.07051	29.6
152.10612	2.3
152.14394	0.4
157.30623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	cis-indole-2,3-dihydrodiol
Peak:m/z	Relative Intensity
53.03936	1.2
56.74555	0.9
58.02967	22.0
70.91089	1.9
74.79803	0.7
79.05503	7.1
85.11686	0.8
89.41859	0.8
91.05473	3.2
92.04984	0.8
94.04191	4.4
95.04976	13.4
96.57786	0.8
100.20827	0.8
105.04486	0.9
106.06557	11.7
107.04962	26.7
107.07340	1.0
108.05784	5.2
118.04158	1.2
118.06541	7.5
119.04926	2.4
120.04452	3.9
120.05730	7.3
134.06027	23.7
135.06807	100.0
136.07094	0.9
139.20810	0.8
152.07065	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0708
Annotation	cis-indole-2,3-dihydrodiol
Peak:m/z	Relative Intensity
52.27148	0.9
53.03931	1.9
55.05517	1.1
56.96565	1.5
58.02966	23.3
58.95823	1.0
64.01967	0.9
65.03943	1.0
66.72389	0.8
67.05498	2.3
68.04999	1.2
68.05805	1.2
69.07064	2.6
69.72738	1.0
70.94252	1.7
71.00176	0.9
71.53600	1.5
72.08148	0.8
72.33624	0.9
79.05505	8.1
79.83961	0.9
80.05003	1.3
81.03423	6.6
81.07027	3.0
88.00471	3.2
91.05447	4.2
92.05822	1.0
93.07050	1.9
94.04164	4.2
94.07372	1.6
95.04977	15.3
95.08620	1.5
96.08131	2.2
99.51265	2.6
106.06556	13.0
107.04966	27.7
107.08562	2.8
108.04522	0.9
108.05737	3.3
108.08890	1.4
109.06554	1.2
110.06029	2.3
111.04458	1.4
116.04962	1.5
118.04151	1.8
118.06560	6.4
119.04936	1.2
120.04491	4.7
120.05718	7.0
121.06479	2.7
124.03937	1.4
124.07571	4.3
124.08396	1.1
124.12033	1.1
134.06033	26.8
135.06807	100.0
136.07095	1.1
144.05472	1.1
152.01596	2.7
152.03380	2.2
152.07031	44.4
152.09242	1.6
152.10577	6.4
152.11710	1.2
153.12724	1.5
171.96724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03944	1.9
54.71752	0.6
55.01878	1.3
55.05504	3.6
55.16309	0.6
57.03437	2.3
57.07076	2.6
59.05002	2.8
63.77109	0.6
65.03945	4.0
67.05510	47.6
69.03451	1.6
69.07077	8.2
69.53777	0.7
70.10408	2.9
71.04994	1.3
75.00652	0.7
75.52245	0.7
79.05063	1.3
79.05501	15.6
80.05833	1.3
81.03423	2.5
81.07063	57.1
83.05002	1.3
89.06040	2.3
91.05488	23.1
93.07051	37.5
95.04977	42.5
95.08614	11.8
105.07041	27.8
106.07379	0.8
107.05004	1.7
107.08604	100.0
108.05742	11.9
108.08955	1.6
109.06531	25.9
109.10162	18.2
110.07212	0.8
111.07947	1.7
118.83560	0.7
119.06033	1.2
121.06512	1.1
121.10155	2.3
123.04479	0.7
123.08080	5.9
123.11713	14.3
133.10126	18.6
133.11095	1.1
136.05188	0.8
136.08904	0.9
148.50362	0.6
151.02901	1.4
151.03958	1.6
151.04962	0.8
151.07732	3.4
151.11191	92.7
151.53166	0.7
152.07074	0.7
152.11569	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03931	2.0
55.01854	2.3
55.05502	4.2
57.03428	2.0
57.07057	3.8
59.05006	2.4
61.00603	1.1
64.40424	1.3
64.70724	1.4
65.03937	4.7
67.05508	55.5
69.03427	1.9
69.07067	7.9
70.97802	2.3
71.04990	3.2
79.05497	15.6
81.03410	5.2
81.07061	70.6
82.51344	1.1
83.04979	2.5
83.37738	1.3
83.62228	1.4
85.06515	1.4
89.06035	3.1
91.05484	30.8
93.06486	2.1
93.07050	38.4
95.04372	2.6
95.04974	43.8
95.08601	12.4
105.07040	35.5
105.94566	1.3
107.04964	5.2
107.08599	100.0
108.05744	3.0
109.06525	28.8
109.10166	16.4
111.07909	3.9
119.06068	3.1
121.10131	1.7
123.08088	7.4
123.11710	19.0
129.98018	1.4
131.08588	2.1
133.07574	2.0
133.10141	27.0
146.25711	1.4
151.02826	2.7
151.03951	4.0
151.05026	1.5
151.07539	16.9
151.08650	4.0
151.09805	3.5
151.11182	48.1
152.07056	3.3
152.10681	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.112
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03952	5.6
55.01880	8.0
55.05517	45.1
57.03431	2.4
57.07058	1.7
59.04986	1.7
65.03664	1.1
65.03944	12.9
67.05182	1.9
67.05513	25.9
69.03442	6.0
69.07066	4.2
70.77018	3.0
71.04980	2.5
77.03915	2.4
77.15848	1.0
79.05496	13.5
80.02617	1.3
81.07065	51.5
83.04971	3.5
85.02910	1.3
91.05489	18.7
93.07055	33.6
95.01328	1.5
95.04971	18.0
95.08596	9.4
97.06522	5.6
103.05397	1.1
105.07037	25.8
107.04932	4.5
107.08606	28.5
108.02103	13.7
108.05727	1.5
109.02859	2.5
109.06528	25.0
109.10161	16.4
110.07381	1.2
112.01566	1.7
119.04930	2.7
121.03969	2.0
121.10175	2.4
122.81682	1.2
123.04441	9.0
123.08053	10.7
123.11713	14.8
129.15431	1.2
133.10150	18.3
136.01529	3.2
136.05232	1.3
141.05513	7.3
151.03897	100.0
151.05042	33.5
151.07506	11.5
151.11198	32.8
152.07085	1.5
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
53.03935	9.5
55.01883	14.1
55.05511	22.7
55.21614	2.8
57.03447	2.9
57.07058	4.5
59.05007	70.0
65.03936	10.4
67.05193	3.6
67.05515	44.1
69.03434	49.9
69.07052	5.8
69.34869	17.5
69.35289	3.6
69.64287	2.5
71.04983	6.9
79.05498	30.1
81.07059	100.0
84.29644	2.6
88.72028	2.6
89.48414	2.5
91.05491	44.0
93.07053	67.1
95.04972	30.3
95.08615	22.2
97.06509	4.7
98.21532	4.6
105.06406	3.6
105.07050	46.5
107.04958	7.4
107.08606	45.0
108.02100	7.4
109.05799	4.4
109.06532	67.0
109.10168	90.5
117.07060	3.4
119.06069	5.1
121.10172	4.6
123.04442	2.8
123.08072	14.9
123.11719	44.6
131.08559	8.3
133.10143	68.2
134.06020	12.1
136.05147	3.5
141.05417	3.0
142.50740	3.1
151.03891	60.1
151.05048	19.5
151.07542	11.9
151.11195	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.112
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
52.51745	0.6
53.03939	1.3
55.01871	1.8
55.05514	6.7
56.96567	0.9
57.03440	1.9
57.07098	4.7
58.25601	0.9
59.05008	36.6
65.03944	2.7
67.05513	26.8
69.03443	8.4
69.07076	100.0
70.07411	1.1
71.05008	3.6
76.35443	0.7
79.05501	9.6
81.03434	1.7
81.07065	74.0
83.04993	0.7
89.06046	1.4
91.05489	9.5
93.07053	14.4
94.04193	1.3
95.04987	13.5
95.08619	14.4
96.50708	0.8
97.06557	0.7
98.21574	1.4
98.47099	1.0
105.07041	16.9
106.06541	0.8
107.04994	6.6
107.08605	16.4
108.02117	1.1
108.05750	1.1
109.06528	56.3
109.10166	44.5
109.10941	1.4
110.01295	1.0
119.06052	1.7
120.04479	0.7
121.06545	2.2
121.07623	0.7
121.10162	5.7
123.04465	1.7
123.08086	19.1
123.11720	67.0
124.12049	1.2
131.08618	1.4
133.06606	0.9
133.10147	13.5
151.02876	1.3
151.03908	11.3
151.05070	2.9
151.07542	5.6
151.08595	1.3
151.11195	42.8
152.07079	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.112
Annotation	Lyratal
Peak:m/z	Relative Intensity
52.87701	0.8
53.03946	3.4
55.01869	3.9
55.05521	16.8
57.03432	1.9
57.07064	1.6
59.04998	4.3
65.03944	5.6
67.05514	18.8
68.98286	1.5
69.03440	53.0
69.07081	11.2
71.04991	8.4
71.52903	1.3
78.04693	1.0
79.05504	10.1
80.06277	2.5
81.03413	3.9
81.07069	48.0
82.01449	1.9
83.04929	1.1
86.99346	1.4
90.04696	1.2
91.05492	20.4
91.31889	0.9
91.72873	1.1
93.03419	4.1
93.06498	1.2
93.07066	22.3
95.04979	16.6
95.08607	8.3
96.05759	3.8
97.06558	5.4
98.97552	1.1
100.02474	2.4
105.03426	1.5
105.04495	1.2
105.07040	17.7
106.04213	1.5
106.06581	1.0
107.04971	23.6
107.05711	1.2
107.08611	17.3
107.47662	1.1
108.05745	10.0
109.06528	39.5
109.10167	10.5
111.04460	4.3
119.01840	1.4
121.06516	1.8
123.04425	3.6
123.08096	11.2
123.11720	12.2
128.01942	4.9
133.10141	7.7
134.06049	1.4
135.04411	7.7
136.05223	12.7
146.03030	1.5
151.04050	5.3
151.07561	100.0
151.11185	17.1
169.03502	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.112
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03946	2.4
53.12140	1.2
55.01874	2.6
55.05509	7.0
56.96561	3.8
57.03436	2.5
57.07074	4.1
58.40352	1.4
59.05013	7.4
65.03957	8.0
67.05510	75.6
67.93565	1.4
68.95312	3.3
69.03428	5.1
69.07075	8.4
71.04998	2.4
71.52652	1.5
74.47843	1.2
79.05504	20.9
81.03417	3.7
81.07065	86.2
89.06039	2.7
91.04910	1.8
91.05489	39.6
93.07050	51.4
93.07640	2.6
95.04972	60.7
95.08623	17.4
98.97593	1.3
105.04524	1.5
105.06329	1.8
105.07043	45.6
107.05002	6.2
107.08605	100.0
107.47662	1.5
108.05753	4.2
108.08946	1.8
109.06534	24.0
109.10168	18.3
111.04444	1.2
119.01749	1.2
119.04930	1.8
119.06038	1.8
121.10139	1.8
123.03365	1.2
123.04449	2.3
123.08084	10.6
123.11707	19.8
130.95773	1.2
131.08604	2.9
133.10147	27.5
134.06087	1.7
136.77536	1.1
147.91652	1.1
151.02902	2.1
151.03920	13.2
151.05054	5.0
151.07571	20.4
151.08633	2.6
151.11197	50.8
152.07123	2.4
169.03500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Thymol
Peak:m/z	Relative Intensity
51.02379	0.2
53.03939	0.3
55.01867	0.4
55.05496	0.3
55.67052	0.2
56.96551	0.3
57.03434	0.2
64.68433	0.2
65.03947	1.7
67.05169	0.3
67.05508	2.3
68.45340	0.2
68.95278	0.3
69.03424	0.4
69.07064	0.5
69.89425	1.0
71.04982	0.2
79.05481	0.8
81.07067	4.5
89.06016	0.4
91.05485	6.7
93.07043	1.3
94.04197	1.4
95.04974	1.0
95.08607	1.4
98.97593	0.3
101.00754	0.3
105.07014	0.9
107.04965	1.9
107.08611	0.9
107.47629	0.3
108.05751	0.2
109.06527	100.0
109.10126	1.0
110.01355	0.2
110.06851	0.8
116.48164	0.2
119.01811	0.7
119.06075	3.4
123.04461	0.4
123.08073	0.9
123.11722	0.9
128.02345	0.5
133.10135	0.6
139.53084	0.2
141.05510	0.2
151.02859	0.4
151.03928	2.5
151.05069	0.7
151.07561	1.9
151.08649	0.3
151.11200	3.2
152.07051	0.3
166.22459	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03946	5.2
55.01865	4.8
55.05515	18.6
57.03430	1.1
57.07076	3.1
59.05005	1.4
65.03934	3.1
67.05180	2.0
67.05513	27.4
69.03435	100.0
69.07071	8.5
70.96573	1.6
70.96897	2.1
71.04640	1.9
71.05003	15.9
79.05499	13.9
81.03419	2.6
81.07063	76.6
83.04945	2.5
89.06040	1.6
91.05486	22.4
93.07055	34.3
94.07355	1.6
95.04973	22.1
95.08616	12.9
96.05754	5.7
97.06554	6.1
105.07036	24.6
107.04955	3.8
107.08602	32.7
108.05730	2.8
108.08186	1.3
109.05802	2.9
109.06534	53.2
109.10171	17.2
110.07198	1.3
111.07980	2.6
123.04433	1.3
123.08083	14.0
123.11718	18.8
133.07687	1.4
133.10143	13.8
151.03938	4.2
151.05014	2.1
151.07573	9.9
151.09779	4.2
151.11179	26.5
152.10692	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03946	2.9
55.05508	2.8
57.03437	2.5
57.07051	2.0
59.05006	1.5
65.03944	4.1
67.05508	47.9
69.03423	2.0
69.07060	4.6
69.26421	11.5
73.57195	1.2
77.03901	1.3
79.05500	13.4
79.22301	1.5
81.03408	5.1
81.06591	2.9
81.07062	57.0
89.06034	4.9
91.05486	27.7
93.07046	28.8
95.04977	32.5
95.08611	11.3
98.21526	2.2
105.07037	32.5
107.04994	1.5
107.08602	100.0
108.05756	2.1
109.06527	11.8
109.10174	10.5
111.07966	2.3
123.04413	2.9
123.08151	6.3
123.11715	11.1
133.10130	19.3
134.05574	1.4
147.89844	1.3
151.02884	2.8
151.03920	8.0
151.06017	2.0
151.07539	7.0
151.08643	4.0
151.09839	2.1
151.11194	45.1
151.12209	2.0
152.07065	3.3
152.10713	2.1
166.06999	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
55.05505	5.1
55.81927	1.4
57.03426	4.5
57.07078	3.8
59.04995	3.3
63.50687	1.3
65.03938	4.1
67.05513	53.1
68.41379	1.4
69.03457	2.1
69.07055	6.9
69.47191	3.1
69.47598	9.8
71.04993	6.5
79.05505	16.1
81.03414	2.2
81.07064	75.2
85.06441	1.4
89.06040	6.1
91.05490	35.2
93.06486	2.8
93.07056	42.1
95.04979	38.1
95.08622	13.2
98.21492	3.0
105.07040	45.5
107.04954	2.1
107.08606	100.0
109.06525	15.6
109.07642	2.6
109.10164	14.3
111.07942	3.4
121.10169	1.6
123.08041	4.9
123.11719	14.4
131.08636	2.2
133.10149	33.0
151.02866	2.2
151.07626	3.2
151.08688	4.4
151.09845	4.4
151.11203	52.4
151.12283	2.0
152.10648	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
50.30603	1.1
53.03946	5.7
54.55592	1.2
55.01867	4.4
55.05513	20.0
57.03429	3.4
57.07077	2.4
59.05020	2.2
65.03935	4.0
67.05511	34.4
68.27869	1.2
68.95280	1.4
69.03437	100.0
69.07083	8.8
70.54671	3.4
71.05001	15.9
79.05495	15.3
81.03417	1.8
81.07066	86.6
83.04976	1.8
89.06048	2.3
90.04742	1.3
91.05492	26.3
93.03405	2.3
93.07052	42.6
95.04980	29.9
95.08614	31.3
96.05747	6.0
97.06564	7.9
105.04518	1.6
105.07051	28.3
107.04967	13.5
107.08601	37.6
108.05759	4.1
109.06528	51.1
109.10169	25.0
116.98651	1.1
119.06036	1.4
121.10143	1.5
123.04423	3.4
123.08091	14.1
123.11720	19.0
124.07585	1.2
128.02364	1.3
131.08640	1.5
133.10141	17.6
135.04451	2.9
135.06763	2.0
136.05214	3.6
140.37468	1.4
151.02870	2.1
151.03932	11.5
151.05026	2.1
151.07570	51.5
151.08644	4.5
151.11192	27.7
151.12349	2.1
152.07076	3.3
152.10600	1.4
154.56772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03944	0.7
55.05519	3.4
55.15073	0.5
56.47218	0.6
57.03442	1.7
57.07064	1.7
59.05000	2.0
63.61546	0.5
64.15858	0.5
65.03955	2.2
67.05508	41.3
67.37862	0.6
69.03434	1.1
69.07061	3.6
69.46415	1.8
69.46835	2.2
71.05003	1.7
73.06565	0.6
79.05497	10.9
81.03427	3.0
81.07058	49.0
82.07364	0.7
83.04985	0.7
85.06535	1.4
89.06038	4.0
91.05481	20.0
93.07046	23.2
95.04971	32.4
95.08616	8.3
105.07035	26.5
107.04948	2.0
107.08599	100.0
108.05751	1.0
109.06519	11.0
109.10162	8.8
111.07957	0.9
118.07787	0.7
119.06051	1.7
119.26282	0.6
121.10164	1.5
123.04430	0.9
123.05589	0.6
123.08105	3.2
123.11713	12.3
131.08589	1.3
133.10139	17.6
136.08830	1.0
147.54546	0.6
151.03928	1.4
151.07542	3.0
151.08646	1.8
151.11189	37.3
152.07065	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
52.43089	0.4
53.00303	1.8
53.03934	1.6
55.01875	2.2
55.02098	0.4
55.05515	11.0
62.27306	0.4
65.03609	0.6
65.03939	6.3
66.04721	0.9
67.05510	7.0
68.99802	2.3
69.07067	1.0
78.04707	1.1
79.05494	3.5
80.06289	2.6
81.07062	5.4
81.54463	0.4
90.04700	1.4
91.04971	0.7
91.05482	8.8
92.06261	0.5
93.03414	8.3
93.07050	2.7
95.04977	3.0
95.08600	1.7
97.06530	1.8
105.03390	1.3
105.04500	0.7
105.07045	2.2
106.04164	2.2
107.04958	22.2
107.08584	2.7
107.47601	0.4
108.02126	0.7
108.05742	9.9
109.06528	3.4
109.10138	2.0
111.04478	1.0
118.04153	1.5
119.04900	0.8
121.02871	6.9
121.06551	0.7
123.04433	4.6
123.08109	2.0
123.11721	1.8
129.49597	0.4
133.10159	1.6
135.04414	6.6
136.05217	9.3
141.05536	0.7
151.03918	69.5
151.07541	100.0
151.11064	4.1
152.04286	1.2
152.07896	1.2
163.25827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	875-59-2
Peak:m/z	Relative Intensity
53.03948	0.9
55.05487	0.8
56.96561	1.0
60.20915	0.5
65.03934	1.4
66.04707	0.8
67.05510	3.3
68.95289	1.0
69.03423	0.8
69.07080	0.7
70.00864	1.9
77.88779	0.4
78.04713	0.7
79.05503	3.1
80.06272	3.0
81.03416	1.0
81.07072	5.4
83.04990	0.6
89.06009	1.2
90.04706	1.3
91.05486	8.9
93.03424	1.0
93.07032	4.3
94.06619	0.5
95.04971	1.6
95.08614	3.2
98.20824	0.5
98.97611	0.5
100.57157	0.5
105.03395	1.8
105.07040	2.6
106.04158	1.5
107.04964	21.3
107.08601	3.5
107.47612	0.5
108.05750	9.5
108.08179	0.5
109.06534	3.4
109.10168	2.5
118.04174	0.5
119.01787	0.6
119.04919	0.6
121.10143	0.5
123.04440	1.0
123.08109	1.9
123.11703	1.5
128.02364	0.4
133.10129	2.2
135.04433	6.9
136.05209	4.9
151.03917	3.6
151.07552	100.0
151.11105	5.5
151.14876	0.6
152.06935	0.6
152.07999	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	875-59-2
Peak:m/z	Relative Intensity
53.03938	0.7
55.01873	0.5
55.05507	0.4
63.07524	0.3
65.03939	1.3
65.14465	0.3
66.04718	0.9
66.77615	0.3
67.05506	2.0
69.03417	1.1
78.04716	1.1
79.05501	3.1
80.06277	2.3
81.07059	3.5
89.06049	0.5
90.04709	1.3
91.04980	0.5
91.05492	6.8
93.03386	1.0
93.07046	2.0
94.04170	0.4
95.04968	1.6
95.08620	2.3
97.18808	0.3
105.03401	1.1
105.07031	1.3
106.04177	1.5
107.04965	25.4
107.08595	1.5
108.05751	10.2
109.06529	1.6
109.10126	1.3
118.04151	1.3
121.06467	0.4
123.08089	1.4
123.11690	0.4
133.10120	0.5
135.04445	6.6
136.05197	5.9
151.03940	1.5
151.07556	100.0
151.11005	2.2
152.07903	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	875-59-2
Peak:m/z	Relative Intensity
53.03946	1.0
55.01875	0.6
55.05509	1.8
57.07081	0.4
65.03944	3.9
66.04706	0.8
67.05511	4.8
68.95267	0.4
68.98296	1.3
69.03429	0.7
69.07060	1.3
69.28556	0.3
69.80686	0.8
69.81075	0.9
71.05007	0.5
78.04709	0.8
79.05499	5.2
80.06286	3.6
80.39011	0.4
81.03411	0.8
81.07063	7.1
82.01433	0.9
83.04981	0.7
86.99324	1.0
89.06023	0.8
90.04675	1.8
91.05489	12.0
93.03422	3.2
93.07052	5.4
95.04983	3.1
95.08624	2.9
97.88390	0.3
100.02491	1.1
105.00410	0.6
105.03388	1.3
105.04536	0.3
105.07039	8.1
105.56331	0.4
106.04185	1.6
107.04966	25.0
107.08607	7.5
108.05756	10.7
109.06554	3.6
109.10155	3.4
111.04456	3.8
118.03450	0.5
118.04160	1.1
118.12705	0.4
118.98452	0.3
119.06035	0.6
121.02868	0.4
121.06519	0.7
123.04459	2.5
123.08089	2.1
123.11707	2.3
127.98908	0.5
128.01926	2.7
131.08521	0.6
133.10141	8.6
134.05978	0.4
135.04428	8.7
136.05214	13.9
146.02998	0.9
151.04030	3.9
151.07553	100.0
151.11159	9.9
152.07884	1.2
169.03329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	875-59-2
Peak:m/z	Relative Intensity
50.25662	0.5
53.00298	2.5
53.03946	1.2
53.17715	0.4
55.01875	2.7
55.05514	2.8
56.70521	0.4
57.07080	0.8
65.03945	9.0
66.04739	0.9
67.05511	10.9
68.95294	0.8
68.99802	2.8
69.03436	1.1
69.07060	1.4
70.10846	1.0
70.11238	1.6
70.66358	0.4
71.04981	0.5
77.03941	0.5
78.04715	0.8
79.05492	4.4
80.06277	1.9
81.03412	0.6
81.07064	9.6
83.05000	0.8
85.02906	0.9
90.04684	0.5
91.05484	8.9
93.03419	8.0
93.07047	6.6
95.04977	6.5
95.08616	9.1
97.06499	0.5
98.20767	0.6
105.03396	1.8
105.04519	0.5
105.07030	4.5
106.04190	1.6
106.06608	0.8
107.04962	18.0
107.08607	5.8
107.47628	0.8
108.02089	2.7
108.05752	6.7
109.02892	0.5
109.06547	4.5
109.10148	4.8
110.01292	0.5
111.04439	1.6
118.04144	0.7
119.01841	0.9
119.04980	0.8
121.02866	8.3
123.03542	0.7
123.04432	5.7
123.08103	2.8
123.11737	2.2
133.06566	0.8
133.10162	2.4
134.06026	0.7
135.04431	4.4
136.05202	6.3
141.05484	1.3
151.03923	100.0
151.05008	7.6
151.07545	75.1
151.11163	9.5
151.14851	0.7
152.04248	1.3
152.06964	0.8
152.08006	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	875-59-2
Peak:m/z	Relative Intensity
63.27809	0.6
65.03939	1.6
66.04716	1.4
67.05492	1.7
70.96850	1.5
78.04705	1.1
79.05492	3.0
80.06265	2.9
81.03422	0.7
81.07050	3.9
82.48727	0.6
89.06029	2.0
90.04700	1.2
91.05478	9.0
93.03411	1.1
93.07055	2.1
95.04958	1.2
95.08604	1.3
105.03420	1.4
105.07021	1.7
106.04173	1.2
107.04960	21.6
107.08590	2.0
108.05753	9.6
109.06514	2.2
109.10162	1.1
118.04145	1.0
119.06046	0.6
123.08065	1.8
123.11694	1.2
133.07567	0.9
133.10158	1.0
135.04424	6.7
135.68829	0.6
136.05194	11.7
147.72044	0.6
150.42517	0.5
151.04132	3.0
151.07553	100.0
151.11064	2.9
152.07993	1.1
152.10680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	875-59-2
Peak:m/z	Relative Intensity
53.03937	0.4
55.05511	0.7
65.03942	2.1
66.04720	0.9
67.05515	5.0
67.56857	0.3
69.07075	0.9
70.07102	1.6
77.03951	0.4
78.04711	1.5
79.05515	2.3
80.06282	2.1
81.07068	6.8
90.04695	1.9
91.05493	8.5
93.03418	1.4
93.07035	0.9
95.04993	0.9
95.08619	14.3
105.03396	1.0
105.07038	0.7
106.04173	0.9
107.04970	21.0
107.08624	0.4
108.05756	10.8
109.06533	1.4
109.10168	3.9
118.04152	1.1
123.08076	0.9
135.04430	6.5
136.05220	10.3
151.03915	2.7
151.07562	100.0
151.14857	1.3
152.07924	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	875-59-2
Peak:m/z	Relative Intensity
53.03931	0.6
53.17618	0.4
55.05506	0.9
65.03931	1.6
66.04727	1.2
67.05504	4.2
69.03426	1.6
69.07064	0.9
71.06549	0.6
71.06897	0.6
77.98701	0.4
78.04713	0.8
79.05502	2.9
80.06274	2.5
81.07068	5.0
90.04703	1.6
91.05489	8.6
93.03405	1.5
93.07042	1.8
95.04985	1.4
95.08612	6.8
102.24250	0.4
103.15603	0.4
105.03395	1.1
105.07040	0.9
106.04171	2.0
107.04970	22.4
107.08588	0.9
108.05089	0.8
108.05756	9.0
109.06518	1.5
109.10157	2.9
111.04475	0.6
113.54868	0.4
118.04169	1.2
119.04927	0.7
121.02907	0.5
123.04443	0.5
123.08073	0.8
123.11691	0.8
133.10143	0.8
135.04425	6.1
136.05219	6.2
151.04050	3.9
151.07556	100.0
151.14841	1.2
152.07903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
53.03937	0.5
55.01881	0.7
55.05503	0.9
56.96551	0.5
63.67265	0.3
65.03926	1.1
65.19144	0.3
66.04713	1.0
67.05512	1.9
67.83892	0.3
69.07069	0.5
69.40150	0.3
69.43618	0.3
70.44107	0.3
70.44445	0.6
72.08152	0.3
73.77630	0.2
77.03900	0.4
78.04727	0.8
79.05491	2.3
80.06285	2.3
81.07055	2.2
84.08118	0.3
90.04707	1.6
91.05486	8.3
93.03397	1.0
93.07052	2.1
94.04179	0.4
95.04984	1.1
95.08593	1.3
97.06551	0.3
105.03391	0.9
105.07038	1.3
106.04172	2.2
107.04964	21.1
107.08598	1.0
108.05752	9.5
109.06551	1.5
109.10155	1.6
111.79097	0.3
118.04166	1.0
119.01803	0.4
119.04956	0.7
119.06010	0.4
121.06513	0.5
123.04482	0.7
123.08071	0.9
123.11712	0.7
133.10149	0.7
135.04425	6.7
136.05209	8.6
151.07555	100.0
151.10976	1.8
152.07970	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	875-59-2
Peak:m/z	Relative Intensity
51.02385	0.3
51.54704	0.3
53.03954	0.8
55.01871	0.6
55.05513	3.2
56.96567	0.7
57.03441	0.3
57.07070	0.3
57.25173	0.3
58.02955	0.5
59.04988	0.6
59.66433	0.3
61.51155	0.3
65.03942	4.0
66.04729	1.2
67.05506	3.0
68.98296	0.8
69.03432	5.2
69.07063	1.6
70.55044	0.5
70.55381	0.8
71.05006	0.6
72.08162	0.6
78.04726	0.8
79.05509	3.2
80.05055	0.4
80.06281	3.0
81.07058	6.7
82.01433	0.6
83.04983	3.0
86.99322	0.4
90.04711	1.8
91.05483	10.3
93.03413	4.3
93.07054	3.2
94.04154	0.6
95.04992	3.6
95.08596	2.5
96.05737	0.5
97.06576	0.7
98.97602	0.5
100.02502	1.1
105.00385	0.4
105.03401	1.1
105.07038	2.6
106.04150	1.8
106.06608	0.7
107.04964	24.2
107.08601	3.1
108.05746	9.3
109.06516	4.9
109.10158	2.1
111.04462	3.5
118.03462	0.5
118.04189	0.9
119.01845	0.7
119.04922	0.4
119.06047	0.7
122.09663	0.4
123.04455	3.1
123.08071	1.7
123.11732	1.6
128.01961	2.5
133.10133	1.5
134.05989	1.0
135.04434	8.8
135.06773	2.7
136.05208	13.6
146.03023	0.5
151.04091	3.4
151.07553	100.0
151.11082	3.2
152.06953	0.8
152.07939	1.0
169.03523	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Piperonal
Peak:m/z	Relative Intensity
51.02376	0.8
53.03954	3.6
55.01672	0.5
55.01877	5.8
55.05517	5.0
57.03428	1.3
57.07076	0.7
65.03948	11.0
67.05512	17.4
69.03430	2.8
69.07053	2.5
71.01343	0.8
71.04975	1.3
71.52723	0.8
72.07826	0.5
72.08164	4.3
77.03910	1.6
79.05511	4.6
80.02633	1.6
81.03416	1.4
81.07063	15.1
83.04918	0.6
84.02119	0.7
84.08170	0.9
85.02894	1.1
91.05489	7.1
92.07882	0.9
93.03413	0.9
93.07048	11.2
95.01324	1.0
95.04979	9.7
95.08613	9.1
97.06535	0.9
98.97577	0.7
100.07635	1.2
101.78005	0.5
105.03394	0.9
105.04523	1.4
105.07040	12.2
107.04971	1.2
107.08604	6.1
108.02109	12.4
108.05735	0.6
109.02895	1.0
109.06529	7.9
109.10163	6.1
110.01248	0.8
111.04456	1.9
112.01557	1.0
119.01853	0.8
119.04945	0.9
121.03983	1.8
121.06415	0.5
121.10117	1.2
123.04438	5.4
123.08079	5.0
123.11702	4.1
133.06474	3.7
133.07419	1.0
133.10138	5.6
136.01538	1.6
136.05162	0.6
140.16959	0.6
141.05486	7.1
151.03903	100.0
151.05049	33.2
151.07535	9.0
151.08664	1.0
151.11194	12.1
152.04306	1.1
153.79453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	875-59-2
Peak:m/z	Relative Intensity
50.48051	0.3
53.03938	0.8
55.01865	0.6
55.05502	1.6
56.96555	0.8
58.02962	2.6
65.03943	2.6
65.43166	0.4
66.04723	1.3
67.05515	4.2
68.95309	0.5
69.03424	0.6
69.07056	0.9
70.69394	1.1
72.08145	0.7
78.04721	0.8
79.05085	0.4
79.05501	4.5
80.06287	3.0
81.07065	6.8
83.04947	0.4
85.02879	0.4
89.06020	0.6
90.04695	1.9
91.05489	9.3
93.03408	1.9
93.07045	3.4
94.04197	1.4
95.04976	5.5
95.08614	3.7
98.97581	0.7
105.03394	1.4
105.04520	0.5
105.07040	2.9
106.04185	2.1
106.06570	1.9
107.04961	28.2
107.08602	3.3
108.05756	10.7
109.06527	27.0
109.10172	3.3
110.01267	0.5
111.04459	1.1
118.04185	1.3
118.06539	0.9
119.01803	1.3
119.04928	1.0
119.06031	0.4
120.04460	0.5
120.05745	1.0
121.02853	0.8
123.04445	2.1
123.08073	8.0
123.11729	1.8
128.02304	1.3
133.06580	0.4
133.07619	0.5
133.10135	1.8
134.06046	3.1
135.04446	7.2
135.06807	12.0
136.05223	6.9
151.03915	4.7
151.07555	100.0
151.11142	7.6
152.01619	0.4
152.06963	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	151.0389
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02384	1.0
53.00311	0.6
53.03949	3.3
55.01638	0.5
55.01878	5.6
55.05519	4.4
56.96571	0.9
57.03433	1.0
59.05002	0.8
65.03946	10.3
67.05511	16.7
68.95298	0.8
68.99792	1.2
69.03419	1.4
69.07082	2.0
70.70917	0.9
70.71251	0.4
71.01370	0.9
72.08161	3.6
72.94410	0.4
74.87748	0.4
77.03924	1.6
79.05496	3.0
80.02634	0.9
80.06276	0.4
81.03413	0.9
81.07067	11.7
84.08131	1.0
85.02909	0.8
86.03172	0.4
89.00838	0.4
89.06026	0.7
91.05485	6.1
91.21896	0.4
92.07895	0.7
93.03408	4.0
93.05847	0.4
93.07051	6.8
95.01321	0.5
95.04977	9.4
95.08613	7.9
97.06517	0.7
98.97605	0.6
100.07597	0.8
105.03411	0.5
105.04511	1.3
105.06404	0.8
105.07047	8.6
106.06554	0.7
107.04958	5.1
107.08610	6.9
108.02110	11.5
108.05717	1.9
108.87653	0.4
109.02894	1.1
109.06535	4.9
109.10172	6.6
111.04471	2.7
112.01579	1.3
116.48161	0.8
119.01778	0.8
119.04932	0.8
121.02857	1.4
121.03978	1.6
121.06438	0.4
121.10104	0.5
123.04443	6.3
123.08086	3.6
123.11707	2.9
127.03910	0.4
128.02310	1.0
132.01563	0.4
133.06496	0.5
133.10147	3.6
134.06035	0.6
135.04445	1.0
136.01556	1.4
136.05209	1.3
141.05492	6.8
151.03906	100.0
151.05049	26.5
151.07544	20.4
151.08636	1.3
151.11195	9.1
151.14835	0.6
152.01614	0.5
152.04324	0.7
152.07047	0.9
152.08206	0.5
152.10722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
53.00311	2.5
53.03944	2.6
55.01877	4.5
55.05268	1.2
55.05515	15.6
56.96562	1.1
57.03420	0.7
65.03950	10.2
66.04740	0.8
67.05505	13.1
68.95293	0.8
68.99787	2.2
69.07063	2.1
70.33450	0.7
70.53004	1.5
70.53344	1.3
77.03922	0.8
79.05496	5.6
80.06286	2.2
81.03411	1.2
81.07068	12.6
88.89735	0.7
89.06034	1.0
90.04699	1.2
91.05484	11.8
93.03416	7.9
93.07055	8.6
95.04981	8.6
95.08607	5.8
97.06545	3.0
98.47182	0.8
105.03400	2.1
105.04520	1.1
105.07047	7.1
106.04182	1.4
107.04969	23.0
107.08611	9.8
107.47620	0.8
108.02085	3.4
108.05743	9.5
109.06519	7.4
109.10164	6.2
111.04449	2.1
116.48172	1.5
118.04204	1.1
119.04973	1.5
119.06071	0.7
121.02882	6.3
121.03681	0.9
121.06486	1.2
121.10219	0.8
123.04427	6.6
123.08076	4.8
123.11719	4.3
124.07597	0.9
132.77806	0.6
133.10156	3.8
135.04434	7.8
136.05208	11.5
141.05476	2.8
151.03931	94.4
151.05042	11.4
151.07553	100.0
151.11174	9.9
152.08008	1.1
152.10748	0.8
159.39809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	2.9
53.03946	1.9
54.26552	0.4
55.01883	3.4
55.05515	3.1
56.96568	1.0
57.07063	0.6
65.03941	8.4
66.04738	0.9
67.05509	15.3
68.95280	1.0
68.99796	3.7
69.03430	1.2
69.07053	2.6
69.76024	2.9
76.76597	0.5
77.03918	0.9
79.05492	5.8
80.06281	2.3
81.03417	1.2
81.07062	12.5
82.06554	0.6
83.05000	0.6
89.06017	0.9
90.04697	0.7
91.05482	11.1
93.03413	9.7
93.07062	6.7
94.89416	0.5
95.04979	6.3
95.08616	13.5
97.99231	0.5
98.97584	0.5
105.03394	1.4
105.04563	0.8
105.07030	5.7
106.04191	1.0
107.04965	17.3
107.08607	7.9
107.47644	1.1
108.02116	2.7
108.05753	7.3
108.08142	0.5
109.02840	0.7
109.06534	5.9
109.10162	6.9
109.10847	0.7
110.06019	0.6
111.04453	1.8
119.04990	0.7
119.06068	0.6
121.02882	6.5
121.06539	0.7
123.04419	6.3
123.06284	0.5
123.08092	3.6
123.11686	2.8
133.06532	0.6
133.07591	0.6
133.10129	2.7
134.06000	0.6
135.04398	5.8
136.05219	6.7
141.05495	1.6
149.34467	0.5
151.03926	100.0
151.05014	8.4
151.07550	78.8
151.11169	12.3
151.14848	0.7
152.04347	1.6
152.06976	1.1
152.08067	0.8
162.90416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03955	2.1
55.01868	1.9
55.05534	5.6
57.07073	1.0
65.03950	29.9
67.05500	3.0
67.93571	1.0
69.07065	4.8
70.06594	1.5
71.52869	1.0
79.05500	15.2
80.05019	1.0
81.07067	11.3
91.05480	10.5
93.03414	7.1
93.07050	36.5
95.04967	4.5
95.08606	2.4
98.03693	1.5
102.00883	1.0
103.05495	1.2
105.04520	1.1
105.07051	2.6
107.04986	1.5
107.08606	25.5
107.77010	0.9
108.04495	1.3
111.04453	3.6
121.02002	2.0
121.02876	37.9
121.03988	11.4
121.06513	3.1
121.10157	9.2
124.75546	0.9
125.86679	0.9
126.05518	1.3
131.08601	1.7
133.05235	2.0
137.52382	0.9
139.52792	1.0
149.02357	100.0
149.03348	3.6
149.05998	2.4
149.07091	1.3
149.09688	5.1
149.13278	15.4
150.02658	1.2
150.05504	2.2
167.03415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0551
Annotation	3-Hydroxyindolin-2-one
Peak:m/z	Relative Intensity
53.03955	3.1
55.01870	0.4
55.05525	0.3
57.02293	0.3
58.58634	0.3
65.03961	0.6
66.04263	0.5
67.05506	1.4
69.99049	1.4
77.03939	0.8
79.05502	4.7
80.05044	0.4
81.03426	1.0
81.07065	0.4
91.05474	0.5
91.28826	0.3
93.05785	0.6
94.04211	0.6
94.06566	3.7
94.07426	0.4
95.04372	0.6
95.04978	12.4
96.04490	0.5
104.04998	7.5
105.03415	0.6
105.04530	1.6
105.05782	3.2
106.04188	0.6
107.04966	14.0
107.08598	0.4
108.04475	0.5
108.08127	0.5
113.89002	0.3
120.04455	0.5
121.02910	0.7
122.03180	0.9
122.06036	8.2
123.04424	3.7
132.04471	7.8
133.05244	71.2
134.05606	1.0
148.04021	0.4
150.02950	3.7
150.05516	100.0
150.09145	1.4
150.12726	0.6
151.05832	0.9
151.07567	0.6
156.62753	0.3
159.86385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
52.21828	1.1
53.03945	2.2
54.84005	1.1
55.05512	5.0
57.07066	1.0
57.38793	1.0
62.91888	0.9
65.03612	1.6
65.03946	26.2
67.05505	13.8
69.07074	6.8
70.41366	2.4
70.41710	1.1
79.05067	1.7
79.05501	21.3
79.40487	1.1
81.03406	0.9
81.07061	39.7
83.08607	2.1
87.01038	1.0
91.05483	12.5
93.03403	6.1
93.07053	39.4
95.04964	2.2
95.08617	5.2
96.87525	1.1
98.20871	1.2
103.05472	2.2
105.07024	3.1
107.04971	12.7
107.08604	33.4
111.04456	3.7
119.08606	1.1
120.05747	1.1
121.02009	2.3
121.02881	40.0
121.03987	10.1
121.06512	3.6
121.10161	11.5
149.02361	100.0
149.03358	3.9
149.06001	4.7
149.07063	1.9
149.09659	12.6
149.13274	34.0
155.06441	1.0
160.80219	1.0
162.29387	1.0
169.03531	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1328
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03942	2.2
55.01882	1.9
55.05507	3.4
56.96567	0.9
63.96670	0.9
65.03947	30.1
67.05509	9.7
68.37144	0.8
69.03412	1.1
69.07070	5.1
70.77459	0.8
70.77772	1.7
78.92797	0.8
79.05496	15.8
81.07067	23.5
83.08632	2.1
91.05491	8.0
93.03429	5.4
93.06483	1.8
93.07053	30.0
95.04958	1.6
95.08603	5.1
103.05476	1.6
105.07056	2.4
106.23257	0.8
107.04964	1.1
107.08602	23.7
108.04486	1.7
111.04450	3.0
116.94782	0.8
121.02879	38.6
121.03987	13.3
121.06510	2.0
121.10168	9.3
122.10442	1.0
126.86396	0.7
129.25253	0.8
131.08582	1.2
149.02361	100.0
149.06018	2.9
149.07080	1.4
149.09634	5.4
149.10722	1.7
149.12070	1.5
149.13266	22.4
150.02693	1.0
150.09117	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03940	2.7
55.01870	1.8
55.05503	3.6
65.03609	1.9
65.03944	27.1
67.05516	7.5
69.07066	6.6
69.28074	6.4
69.28487	3.7
79.05497	18.1
81.07059	20.2
82.08890	1.3
84.42194	1.5
88.83960	1.3
91.05480	8.5
93.03391	6.9
93.06488	2.4
93.07053	35.4
95.08610	3.9
98.03634	1.8
103.05397	2.7
105.03406	4.7
105.07014	2.9
107.08600	29.7
108.04513	2.8
111.04457	3.1
121.02014	1.8
121.02880	37.9
121.03976	12.5
121.06502	2.1
121.10156	10.9
131.04941	2.9
149.02356	100.0
149.06000	4.8
149.07126	2.6
149.09637	6.8
149.10727	1.9
149.13275	25.4
150.02751	2.0
160.02368	1.2
162.73906	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
50.90904	2.2
53.03942	4.1
55.05508	12.1
60.71787	1.9
65.03949	12.0
67.05497	5.2
69.07069	17.5
70.47193	5.0
70.47551	4.2
77.03902	2.4
79.05508	25.5
81.07065	36.3
83.08611	2.6
91.05493	20.8
93.03424	2.4
93.07052	100.0
95.04939	2.6
95.08611	6.0
105.07026	7.8
107.07877	4.8
107.08601	77.5
119.06062	2.1
121.02853	14.8
121.03977	5.8
121.10157	36.4
123.05096	2.4
149.02361	38.2
149.05894	2.6
149.13269	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03948	3.1
55.01871	3.5
55.05503	5.0
57.07067	5.6
64.99376	1.2
65.03950	29.8
67.05502	1.7
68.71659	1.4
69.07084	13.1
71.52341	2.3
79.05501	15.6
81.07064	7.2
91.05494	19.4
92.00099	1.2
93.03407	6.1
93.07056	39.3
95.04962	3.0
95.08564	1.2
96.14005	1.2
98.03680	1.9
103.05484	3.3
103.67339	1.3
105.03406	1.5
105.07047	21.5
107.08611	73.1
109.06538	3.2
111.04447	3.4
119.06062	2.0
119.08617	5.8
121.02882	38.7
121.03983	10.7
121.06532	5.0
121.10159	46.3
122.10494	1.4
123.08060	2.1
131.08609	1.4
132.95845	1.2
133.07631	2.0
149.02365	100.0
149.03391	3.4
149.05988	6.5
149.07036	1.7
149.09625	7.5
149.13275	27.5
150.09164	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
50.18955	1.2
53.03942	4.0
53.32463	1.4
55.01868	1.8
55.05515	10.7
57.07080	2.8
65.03951	22.5
67.05514	7.5
68.47329	1.3
69.07076	21.1
69.17175	14.5
72.24742	1.3
79.05506	23.3
81.07063	32.1
91.05493	22.4
93.03407	5.6
93.07051	100.0
95.04989	4.1
95.08624	7.9
103.05476	3.8
105.03374	2.1
105.04527	2.8
105.07034	12.6
107.08607	71.9
108.04454	1.7
109.06524	3.3
111.04485	2.3
121.02877	30.6
121.03979	8.3
121.06491	9.3
121.10159	38.9
121.11039	2.0
131.04950	2.8
147.55905	1.3
149.02361	67.8
149.06013	5.4
149.07062	2.0
149.09721	1.4
149.13271	57.2
150.91472	1.3
153.87804	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03935	2.6
55.01863	1.5
55.05499	4.1
56.48610	1.0
65.03949	24.7
67.05514	6.2
69.07077	8.9
69.50954	1.8
69.51361	5.3
72.08154	2.5
79.05508	13.2
81.06597	1.4
81.07067	25.8
81.48471	1.0
86.59222	1.0
91.05494	10.7
93.03405	6.2
93.07052	53.7
95.01763	1.1
95.04958	2.6
95.08603	3.8
103.05490	2.7
105.03332	1.4
105.04536	1.3
105.07049	3.2
107.04970	1.7
107.08601	34.8
108.04434	2.5
109.06554	1.3
111.04442	3.8
119.08514	1.2
121.02876	40.2
121.03979	8.7
121.06559	1.2
121.10159	17.8
131.08678	1.4
133.05206	1.3
149.02362	100.0
149.03363	3.5
149.06042	2.5
149.07124	2.2
149.09634	4.0
149.13275	36.4
150.02679	1.2
150.05519	2.5
169.10959	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03948	4.1
55.05512	6.4
65.03617	2.0
65.03947	27.6
67.05502	5.1
69.07076	11.4
69.37485	6.2
69.37914	4.4
72.90678	1.2
79.05492	14.9
80.71723	1.6
81.07061	27.6
83.08643	1.6
91.05495	12.9
93.03412	5.5
93.07053	69.0
95.04979	2.3
95.08613	4.5
98.03702	1.5
98.21545	2.2
100.18377	1.2
103.05451	1.4
105.03397	2.3
105.07031	5.9
107.05009	1.5
107.08602	41.7
108.04461	1.9
111.04447	4.5
116.03581	1.6
116.45474	1.5
119.08550	1.7
121.02879	39.0
121.03982	11.4
121.06512	2.3
121.10146	21.3
122.56312	1.2
149.02357	100.0
149.03407	3.6
149.05989	4.2
149.07040	1.8
149.09630	3.2
149.13274	43.0
150.09196	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03943	2.9
55.01854	2.1
55.05505	5.6
64.90403	1.5
65.03617	1.8
65.03944	28.1
67.05503	12.0
69.07071	10.7
71.92625	1.3
79.05068	2.5
79.05495	26.8
81.07060	53.0
83.08624	2.2
91.05482	13.3
93.03403	5.5
93.07047	50.9
95.04995	2.1
95.08609	6.7
98.03600	1.4
103.05470	2.9
105.07021	4.6
107.07879	2.3
107.08600	42.2
108.04465	1.6
111.04428	3.9
119.08595	1.8
121.02871	37.1
121.03978	11.4
121.10138	13.2
144.04993	1.4
149.02350	100.0
149.06009	2.6
149.09648	3.3
149.13269	37.4
150.09148	4.2
161.07848	1.3
168.99089	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
51.90869	1.9
53.03936	6.2
55.01869	3.4
55.05505	13.5
65.03947	21.9
67.05499	5.8
69.07079	20.8
75.13058	1.8
79.05492	20.5
81.07066	36.9
83.08649	1.9
91.05494	25.7
91.37427	1.7
93.03397	3.3
93.07051	100.0
94.07381	1.9
94.95571	1.8
95.04970	3.4
95.08585	3.4
105.07036	10.9
107.08601	79.6
109.06509	2.2
111.04439	3.5
119.08610	2.4
121.02876	31.8
121.03980	8.0
121.06490	2.4
121.10150	44.8
131.04874	1.8
134.17096	2.3
149.01167	3.7
149.02361	71.7
149.07121	2.2
149.13272	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	5,6,7,8-Tetrahydro-2-naphthol
Peak:m/z	Relative Intensity
53.03942	6.5
55.01878	10.2
55.05501	6.1
56.02713	1.6
59.88049	1.7
64.32514	1.8
65.03658	2.5
65.03944	24.5
69.03441	13.7
70.83154	5.2
79.05505	27.5
81.07071	3.3
89.03921	10.9
91.05495	45.0
93.03423	5.0
93.07056	49.2
95.04987	5.0
98.03589	2.2
103.05461	7.9
105.07034	22.8
107.04967	64.8
107.08591	16.8
109.06522	7.5
111.04424	3.7
115.05495	2.1
116.06258	7.9
117.03369	7.8
117.06968	2.1
119.08588	3.5
121.02878	30.3
121.03973	4.7
121.06515	100.0
121.10149	21.0
122.06822	3.4
129.07028	4.3
131.04900	3.9
131.08585	26.9
133.06514	2.9
133.07582	2.6
134.03648	2.1
134.07249	4.1
144.92992	2.1
149.01160	3.9
149.02361	69.8
149.06001	18.9
149.09634	80.0
149.13292	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	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03950	2.1
55.01867	3.5
55.05506	2.4
57.54707	0.7
65.03615	1.6
65.03947	28.2
65.23833	0.7
67.05511	1.8
67.71611	0.8
69.03442	1.6
69.07094	1.7
71.52096	0.8
73.06560	0.9
79.05499	10.3
81.07066	2.3
89.03925	2.7
91.04915	1.1
91.05485	18.1
93.03419	6.2
93.07053	25.9
95.04965	2.4
103.05487	5.8
105.04553	1.2
105.07041	15.1
106.07829	1.3
107.04956	6.4
107.08588	7.7
108.04503	1.3
109.06506	1.0
111.04464	4.2
111.10567	0.9
115.05453	0.9
116.06254	2.0
116.20354	0.8
117.03410	1.7
119.08597	2.9
120.05809	0.9
120.14209	0.9
121.02882	41.9
121.03989	11.1
121.06519	9.5
121.10155	14.5
123.08078	1.3
129.07065	0.9
131.04919	2.6
131.08583	6.7
132.10231	0.7
134.03604	1.0
134.07312	0.9
149.02361	100.0
149.06009	6.7
149.07111	1.8
149.09633	58.3
149.13298	3.1
150.09056	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.06
Annotation	cis-Cinnamic acid
Peak:m/z	Relative Intensity
50.27686	0.9
53.03940	6.0
55.01867	4.2
55.05503	3.5
56.96570	10.2
57.06815	0.9
58.06592	2.3
59.07387	1.4
60.05357	1.2
60.08156	3.1
65.03612	1.8
65.03941	28.6
67.05487	2.3
68.05016	1.0
68.05833	1.5
68.99780	1.2
69.03412	1.7
69.07101	1.2
69.41599	6.6
70.06583	1.1
70.07391	1.4
71.01309	0.9
71.04996	1.3
77.03922	1.1
79.05069	1.8
79.05497	25.5
81.03391	1.2
81.07041	4.6
83.04965	1.4
83.08637	0.9
84.04494	3.4
84.08135	2.1
85.04250	1.8
85.04832	7.6
86.06902	1.4
91.05482	12.1
92.05795	1.0
93.02872	1.4
93.03394	7.0
93.07050	18.1
94.06577	2.5
94.07375	1.3
95.04982	5.3
97.04009	1.1
100.99162	1.2
102.03358	2.2
103.05467	73.7
104.05825	7.7
104.07927	2.6
105.04494	1.9
105.07018	2.3
107.04954	22.5
107.08601	2.9
111.03798	1.9
111.04500	6.0
113.07908	1.4
119.00117	1.5
120.08099	1.2
121.02003	2.2
121.02875	37.6
121.03979	13.2
121.06506	18.9
121.07458	1.8
121.07609	1.5
121.08408	7.5
121.10134	1.1
122.06039	2.7
123.07938	4.6
124.04663	1.3
126.59467	2.8
131.04930	82.7
132.05284	4.3
133.05174	2.2
134.05568	7.2
137.01138	1.2
139.05042	2.0
149.02354	100.0
149.03378	4.9
149.06055	14.4
149.07959	29.5
149.09587	4.5
149.10686	1.4
150.05545	3.7
150.07742	24.7
167.03461	1.3
167.05579	1.1
169.03458	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	149.0599
Annotation	cis-Cinnamic acid
Peak:m/z	Relative Intensity
53.03955	4.6
55.01870	2.0
55.05509	1.8
56.96575	7.4
57.03429	1.0
59.74051	0.8
65.03944	11.8
67.05512	1.8
70.06598	1.2
71.01375	0.9
71.51462	1.2
77.03951	1.9
77.51817	0.8
79.05502	38.5
81.07063	1.9
83.04993	1.6
83.08614	1.4
84.08161	2.4
85.04858	1.8
91.05495	13.9
93.03412	4.0
93.07054	38.8
94.06577	1.4
95.04969	3.4
98.03665	1.1
102.03359	2.4
103.05482	100.0
104.03033	1.2
104.05804	1.2
105.04516	2.1
105.07032	1.6
107.04965	30.5
107.08607	1.1
108.04501	1.0
111.03832	1.7
111.04464	3.6
119.00186	1.4
121.02885	22.4
121.03989	5.2
121.06516	22.0
122.06004	2.3
123.07977	2.2
124.04652	1.7
131.04030	1.7
131.04935	15.7
149.02364	49.0
149.03412	2.3
149.06003	16.1
149.07138	1.6
149.09648	1.6
149.11554	3.4
150.05542	3.2
150.07764	6.1
150.08806	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	cis-Cinnamic acid
Peak:m/z	Relative Intensity
53.03939	2.4
53.51260	0.8
53.71216	0.7
55.01879	28.8
65.03619	1.7
65.03949	28.9
65.32806	0.9
69.37064	6.4
79.05494	1.1
91.05487	8.3
93.03416	6.9
93.07051	8.5
95.04991	1.8
98.03703	1.3
103.05476	27.6
105.03387	1.9
105.07023	1.0
107.04968	7.1
107.08627	1.7
108.04526	0.8
111.04459	3.8
119.04980	0.9
120.05801	1.0
121.02878	41.8
121.03986	12.2
121.06519	13.0
121.10197	1.0
131.04944	41.7
149.02364	100.0
149.06004	22.7
149.07043	1.5
149.09621	1.8
149.10674	1.0
149.13292	1.3
150.02806	1.3
162.57188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
53.03953	11.7
55.01876	7.1
55.05519	2.5
56.09159	1.0
59.04994	4.5
65.03947	29.5
67.05511	2.1
67.78496	1.1
68.99789	3.7
69.03425	2.3
70.72344	2.9
70.73899	1.0
72.08154	3.2
73.06567	10.4
77.03932	2.1
78.10482	1.0
79.05497	9.8
79.59006	1.0
81.03392	4.1
81.07054	5.3
84.08141	1.4
87.55919	1.1
89.03920	2.5
91.04903	1.7
91.05486	42.6
93.03382	6.4
93.07050	75.2
95.04979	9.8
96.51526	1.2
103.05476	19.2
105.03416	1.3
105.04526	4.9
105.07016	4.8
107.05009	5.2
107.08582	6.1
111.04456	4.9
119.04948	2.2
121.02876	45.5
121.03983	9.3
121.06512	63.2
121.10152	4.7
123.08002	1.3
131.04924	7.1
131.08589	2.6
149.02356	100.0
149.03358	3.6
149.05995	57.1
149.07063	2.4
149.09634	7.2
149.13252	1.4
150.02667	1.9
150.09007	1.1
167.03377	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	cis-Cinnamic acid
Peak:m/z	Relative Intensity
53.03934	3.8
55.01876	39.8
55.04531	1.0
61.61833	1.0
65.03611	1.9
65.03943	26.2
67.05529	2.6
67.66044	1.1
68.02112	0.9
69.07053	2.0
70.45284	1.2
78.31775	1.0
79.05489	3.9
81.07051	4.7
83.71937	1.1
91.05488	14.8
93.03398	6.7
93.07048	16.5
95.04962	2.5
98.03689	1.0
103.05474	47.6
104.05824	1.1
105.04510	1.4
105.07045	2.6
107.04972	12.2
107.08622	5.4
108.04475	1.5
111.04439	4.1
119.04951	3.6
121.02879	42.6
121.03984	10.3
121.06512	19.9
121.10155	2.7
123.34017	1.0
131.04938	76.8
132.05299	1.4
149.02359	100.0
149.05995	43.4
149.07086	2.6
149.09644	4.6
149.10695	1.5
149.13254	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	148.0758
Annotation	3-Methyloxindole
Peak:m/z	Relative Intensity
53.03952	0.7
54.13195	0.7
55.01898	0.9
56.05042	4.8
56.25660	0.6
56.96567	3.0
57.07072	2.7
58.51414	0.6
59.05004	4.5
60.08147	1.1
62.78804	0.7
65.03944	4.1
67.05506	3.8
69.07074	3.6
69.33962	2.7
69.34381	2.6
70.06596	3.4
71.04996	1.2
73.71083	0.6
74.65066	0.7
78.99265	0.7
79.05498	3.9
80.04996	0.8
81.07047	1.9
84.04511	91.0
84.08142	2.7
85.02933	1.6
85.04844	3.6
85.06560	7.7
85.08474	1.3
85.61774	0.7
91.05493	3.2
92.04981	0.9
92.05807	2.4
93.05784	0.8
93.07043	2.5
94.06599	1.3
95.04987	2.7
98.20773	1.2
100.07610	0.8
102.03346	1.0
102.04855	1.1
102.05544	19.2
103.05473	26.2
103.07581	7.9
105.05804	1.4
105.07009	0.8
106.96582	1.6
107.04968	1.5
112.07595	5.5
118.06526	1.2
120.04493	1.5
120.05286	3.8
120.08116	27.8
120.10229	0.9
121.02859	3.0
121.04016	1.7
121.06502	2.9
121.08451	0.9
124.97607	0.8
130.05025	11.0
130.06534	6.1
130.08643	2.7
130.09758	2.0
131.04935	12.2
131.07188	1.1
133.05241	23.4
146.06017	2.0
147.06639	2.5
148.03764	3.4
148.04900	2.6
148.07585	100.0
148.09618	2.7
149.02370	8.5
149.05966	0.9
149.07898	2.2
151.54971	0.8
156.03436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34947	0.8
55.01862	1.1
55.05500	3.6
56.05048	4.5
56.96309	0.9
56.96574	17.2
57.03445	1.0
57.05824	1.0
57.07085	4.7
58.71625	0.8
59.05005	5.9
60.08154	1.3
63.75991	0.8
64.95561	1.5
65.03943	5.2
67.05514	7.9
69.03428	1.2
69.06786	0.8
69.07082	8.0
70.06593	2.8
70.98111	0.9
71.02338	1.8
71.87586	0.8
72.08147	3.1
72.56991	0.9
73.08504	1.2
75.01044	0.9
79.05505	9.1
81.07050	2.9
83.04983	2.1
83.08623	1.4
84.04515	100.0
84.08154	6.4
84.96042	0.9
85.02902	2.6
85.04834	2.7
85.06557	11.7
86.09715	61.9
87.10078	0.7
88.04015	1.2
91.05496	5.4
92.04986	1.1
92.05838	7.1
93.03422	0.9
93.07033	2.6
94.06573	0.9
95.04980	5.9
95.52375	1.1
97.99160	1.1
100.99129	1.2
102.01569	1.8
102.03387	3.0
102.05553	20.6
103.05475	21.3
103.07590	11.6
105.04518	1.0
106.01044	1.3
106.96574	3.9
107.04965	7.0
110.19722	0.8
111.03852	2.4
111.04449	3.7
111.08182	1.0
112.07628	9.4
113.01784	2.0
115.04080	1.3
119.00211	2.9
119.04988	1.6
120.04498	1.5
120.05278	9.5
120.08118	4.2
120.10201	1.9
121.02853	5.3
121.03979	2.0
121.06506	3.1
124.04676	3.1
124.97588	2.5
125.01775	1.3
130.05026	13.1
130.08670	7.3
130.12321	1.2
131.04932	22.9
131.97522	0.7
134.00520	1.1
134.02350	1.7
139.05028	1.7
139.98042	1.4
142.98647	1.9
148.03888	3.4
148.04778	8.1
148.06058	3.5
148.07542	2.5
148.08664	1.3
148.09715	4.6
148.11153	6.7
149.02351	11.5
151.49812	0.9
163.02776	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	148.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
56.05043	4.4
56.96572	4.4
59.70506	0.4
69.03458	0.6
70.06580	0.3
70.66637	0.8
70.66983	0.6
72.71056	0.4
82.85218	0.4
84.04514	100.0
84.08160	1.4
85.02917	2.5
85.04842	3.4
85.08486	1.1
86.52717	0.5
97.99192	0.6
100.02488	0.7
102.01537	0.5
102.05553	20.6
104.59372	0.4
111.02130	0.5
120.05369	0.5
124.32538	0.4
130.05020	13.4
131.05359	1.3
133.03532	0.6
134.00484	0.7
148.06078	2.5
148.07597	0.5
149.02409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
56.05043	4.4
56.96572	4.4
59.70506	0.4
69.03458	0.6
70.06580	0.3
70.66637	0.8
70.66983	0.6
72.71056	0.4
82.85218	0.4
84.04514	100.0
84.08160	1.4
85.02917	2.5
85.04842	3.4
85.08486	1.1
86.52717	0.5
97.99192	0.6
100.02488	0.7
102.01537	0.5
102.05553	20.6
104.59372	0.4
111.02130	0.5
120.05369	0.5
124.32538	0.4
130.05020	13.4
131.05359	1.3
133.03532	0.6
134.00484	0.7
148.06078	2.5
148.07597	0.5
149.02409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0605
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
55.05545	0.4
56.05042	4.1
56.96567	1.6
60.06933	0.3
60.75507	0.4
65.03941	1.1
70.06601	3.1
70.93024	0.9
71.05001	1.0
84.04512	100.0
84.08150	1.6
85.02909	2.5
85.04841	3.6
85.08502	1.2
91.05491	0.6
92.05838	0.6
93.07061	0.6
94.51574	0.4
102.03412	0.5
102.05552	20.6
103.05457	2.8
106.96553	0.6
120.04523	0.5
120.05296	0.6
120.08129	4.0
121.02901	0.7
130.05019	12.6
130.06516	0.6
130.08813	0.4
130.09782	1.2
131.05424	0.9
133.05229	2.3
147.06357	0.7
148.03918	1.0
148.04941	0.7
148.06090	2.8
148.07591	10.2
149.02385	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81751	1.1
55.05508	5.6
64.92798	3.3
65.03937	2.9
67.05510	17.4
69.07065	4.4
70.04453	5.7
71.96645	1.3
76.83181	1.1
79.05511	11.0
81.07066	13.4
81.88795	1.2
82.06567	1.9
83.06903	3.9
84.04517	2.5
91.05490	77.1
93.07038	8.5
101.07951	7.7
103.05489	2.1
105.07043	100.0
117.07017	4.3
119.04965	11.6
119.08595	64.5
120.08935	1.6
123.96474	9.1
145.10168	2.7
147.04460	8.0
147.05473	1.8
147.08229	7.2
147.11700	66.7
148.11978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03938	2.0
55.05521	9.1
55.52990	1.7
61.66707	1.8
64.92824	13.0
65.03944	3.6
67.05511	21.8
69.07061	5.2
69.67403	9.6
73.30879	1.9
75.76060	1.8
79.05503	14.7
81.07066	16.0
82.06583	3.8
83.06918	8.0
84.04535	1.8
91.05491	94.7
93.07050	11.4
98.21516	2.2
100.07610	4.4
101.07938	19.7
103.05460	2.0
105.07044	100.0
107.04949	5.7
117.07039	6.9
119.04942	21.5
119.08591	69.6
123.96479	27.2
132.05727	2.3
145.10133	5.2
147.04427	13.9
147.05528	4.2
147.08028	21.5
147.11708	75.7
148.77855	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
55.05517	8.2
58.79367	1.9
59.76778	1.6
64.92798	4.5
65.03918	2.6
67.05512	19.0
69.07059	7.3
69.98866	7.0
79.05506	12.1
81.07074	11.2
83.06896	5.4
91.05492	84.9
93.07042	8.8
101.07959	11.8
103.05476	4.2
105.07043	100.0
107.04951	9.3
117.07024	7.8
119.04937	7.1
119.08592	72.7
119.68793	1.7
123.96471	6.3
132.05716	3.5
132.09387	2.3
145.06412	1.6
145.10129	3.8
147.04424	5.8
147.08058	34.9
147.11700	88.4
148.12074	3.0
155.52849	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03938	1.7
55.05518	6.6
56.26805	1.3
67.05183	1.6
67.05511	21.1
69.07060	4.7
71.12785	2.9
72.84728	1.2
75.82705	1.3
79.05500	14.3
80.36714	1.1
81.07064	15.3
86.43459	1.3
91.05488	65.7
92.05780	1.5
93.07056	11.6
94.70090	1.5
103.05512	1.8
103.92844	1.4
105.07040	100.0
106.07355	1.8
107.04951	4.7
107.08561	1.4
117.07032	5.4
119.08594	79.6
119.12251	1.3
132.05699	2.8
132.09349	2.6
145.10144	3.5
147.08067	24.5
147.11699	88.2
148.12041	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	147.0767
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
56.05040	2.9
56.96567	1.4
57.03431	0.5
67.17320	0.4
69.03429	0.6
71.05746	1.0
84.04513	100.0
84.08151	22.1
85.02921	1.8
85.04819	0.7
85.08472	0.7
91.05476	2.6
98.01280	0.5
98.97594	0.6
100.02516	0.5
100.45323	0.5
101.01744	1.2
101.07167	3.8
101.07849	0.7
102.05568	3.8
105.30968	0.4
107.40810	0.5
119.04943	3.6
123.94519	0.5
124.31730	0.4
130.05017	38.6
130.08641	4.8
146.40028	0.4
147.04390	2.0
147.07689	1.2
147.11319	0.5
149.01324	0.6
161.01173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
56.60552	0.9
64.92811	6.3
65.03944	7.5
70.77906	2.6
74.29578	0.9
82.10197	0.8
83.06915	3.2
84.04512	1.1
91.05489	84.0
92.05836	1.2
96.10394	0.9
96.35810	0.9
99.26490	1.0
100.07639	2.6
101.07938	8.7
105.07044	10.2
116.66708	1.2
117.07042	1.1
119.04955	100.0
119.08595	6.8
120.05279	1.3
123.96465	14.5
146.98077	1.8
147.04433	59.5
147.05460	2.6
147.08330	4.6
147.11664	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.01875	1.0
63.63647	0.9
64.92819	7.4
65.03944	7.8
66.08599	0.8
68.77279	0.9
70.85317	1.8
70.85653	0.8
70.94041	0.7
82.06588	1.1
83.06917	3.8
84.04504	2.4
91.05488	96.8
92.05804	1.4
93.66348	0.8
100.07610	2.1
101.07326	1.8
101.07941	11.0
103.05462	0.9
105.07049	2.4
107.04959	2.7
119.04954	100.0
119.08605	4.9
120.05280	1.1
123.96469	13.3
132.05707	1.6
144.25488	1.0
146.98076	1.5
147.04424	97.1
147.08250	6.8
147.11688	1.2
148.04733	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74197	0.3
56.05042	5.5
60.05649	1.3
61.05355	0.4
66.53454	0.4
67.05520	0.6
69.03450	0.8
69.50843	1.2
69.51267	1.4
70.06602	3.0
71.04989	1.1
82.06540	0.3
83.06921	0.8
84.04514	100.0
84.08150	70.3
85.02911	1.9
85.04842	0.7
85.08472	1.4
86.06081	1.9
87.04492	2.8
87.05881	0.6
87.06406	3.9
88.04807	6.0
91.05486	1.0
100.07646	0.6
101.01741	0.9
101.07169	3.1
101.07971	1.6
102.05551	5.6
104.07075	0.5
105.07445	1.1
112.05932	1.1
119.04958	1.7
119.20685	0.5
120.08128	0.5
129.07516	0.4
129.08575	1.1
130.05016	39.2
130.08672	13.5
130.09764	1.9
134.70111	0.4
147.04466	1.1
147.06477	1.0
147.07652	1.2
147.08742	0.6
147.09659	4.1
147.11295	0.7
148.06242	0.5
148.07603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29644	0.5
65.03945	7.2
69.78805	1.5
69.79203	1.4
84.04513	1.2
87.65295	0.5
91.05490	81.2
92.05810	0.7
97.64686	0.6
98.21407	0.9
100.71756	0.5
105.07036	2.3
119.04956	100.0
119.08605	3.2
120.05306	1.4
123.96381	0.6
127.63887	0.6
136.68272	0.6
139.32460	0.6
147.04427	57.8
147.08101	2.5
147.11705	2.4
148.04790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03943	6.9
71.09455	1.2
91.05491	76.8
92.05851	1.2
105.07042	1.1
107.27193	0.6
119.04958	100.0
119.08595	1.4
120.05315	1.6
147.04425	54.6
147.11757	1.0
148.04768	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.26627	0.5
54.35028	0.5
58.61830	0.5
60.16939	0.5
64.92816	0.9
65.03944	6.2
65.51201	0.5
68.98946	0.5
69.50163	3.7
72.08137	0.6
77.07659	0.7
83.06919	2.2
84.04514	2.7
84.08146	0.6
85.18600	0.5
91.05489	85.1
92.05820	1.1
100.07618	1.5
101.07948	5.6
105.07055	4.0
109.64960	0.7
119.04954	100.0
119.08591	3.7
120.05227	1.3
122.54404	0.6
123.96455	2.0
130.05067	0.7
147.04428	55.1
147.08322	3.6
147.11671	2.7
147.76854	0.6
148.33755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
64.01872	0.9
64.92800	2.4
65.03949	7.7
67.05508	1.3
71.38311	1.3
72.73922	0.9
79.15124	0.8
82.04689	0.8
83.06911	3.3
84.04507	1.1
87.56100	0.9
91.05490	81.4
92.05820	1.3
100.07623	1.1
101.07321	1.4
101.07944	9.3
105.07048	5.7
117.06969	1.0
119.04955	100.0
119.08570	3.8
120.05260	1.5
123.96453	6.8
139.67795	0.8
147.04422	56.6
147.08456	5.3
147.11708	3.5
148.04768	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
64.53976	0.7
65.03947	6.5
69.63927	2.6
69.64340	1.3
82.81034	0.7
83.06925	1.0
84.04502	2.8
86.07150	0.7
87.03831	0.7
89.88445	0.7
91.05491	82.4
91.08667	0.6
92.05825	0.8
101.07972	2.6
105.07069	3.1
113.27269	0.7
119.04955	100.0
119.08621	3.4
120.05286	2.3
130.04997	0.7
137.96704	0.7
147.04428	58.8
147.08128	1.3
147.11728	2.9
148.04761	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	5.5
66.65122	0.7
70.21831	2.8
70.51803	0.8
84.04523	3.0
90.80952	0.7
91.05492	77.1
92.05817	1.4
101.07966	2.6
105.07065	1.3
119.04957	100.0
119.08578	1.6
120.05306	2.1
123.96490	0.8
130.05043	1.0
147.04431	54.6
147.08191	2.1
148.95303	0.7
152.68109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	7.2
69.85937	3.2
72.08164	1.7
84.04504	1.8
90.90704	0.6
91.05492	81.6
92.05830	1.0
105.07037	2.0
113.31583	0.7
119.04958	100.0
119.08524	2.9
120.05294	1.2
125.07413	0.7
126.02761	0.7
147.04428	62.7
147.09102	1.0
147.11694	1.8
148.04750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0602
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
69.54223	3.7
72.08150	0.8
82.06586	7.0
90.71124	0.6
91.05489	15.1
100.07626	20.0
117.05767	4.3
118.06555	100.0
119.06904	2.1
122.46691	0.5
125.36501	0.5
126.26443	0.5
128.04968	4.4
128.07108	1.5
136.03099	0.6
146.06030	27.0
146.08067	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	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
59.51052	0.6
62.95515	0.5
65.03947	7.1
69.44991	1.6
69.45412	3.2
74.50572	0.7
75.30575	0.7
82.27015	0.6
83.06909	1.7
84.04504	5.1
84.08148	1.4
91.05488	80.3
92.05825	0.8
100.07618	1.0
101.07961	6.6
105.07036	1.9
119.04951	100.0
119.08604	2.7
120.05291	2.0
123.96503	1.3
130.05029	1.4
147.04422	60.8
147.08179	2.4
147.11732	1.3
157.33237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49780	0.6
59.88851	0.5
65.03945	6.3
67.63692	0.6
69.16289	6.2
69.23965	0.5
72.57050	0.6
84.04524	2.3
84.08142	1.0
91.05489	85.3
92.05824	1.5
105.07043	3.4
119.04952	100.0
119.08607	3.3
120.05282	1.2
121.86873	0.6
128.72374	0.6
130.05023	1.1
147.04420	60.6
147.11742	1.2
148.04799	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0603
Annotation	Indole-3-carboxaldehyde
Peak:m/z	Relative Intensity
50.24886	0.3
57.79795	0.4
70.97179	0.5
70.97493	0.4
72.08141	1.0
77.03911	0.6
82.06581	3.1
91.05486	8.1
95.04978	0.5
100.07623	6.8
101.25607	0.3
103.04774	0.3
103.05473	1.3
117.05769	1.4
118.06548	9.9
119.04957	0.9
128.04976	39.5
129.04478	1.0
129.05365	0.7
146.06021	100.0
147.04485	0.5
147.06343	1.7
162.05292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.065
Annotation	1-Naphthol
Peak:m/z	Relative Intensity
53.03959	5.2
55.01870	4.1
57.03452	4.1
62.92989	2.5
68.90792	0.8
69.03422	2.3
71.05000	22.9
71.09221	2.5
72.08163	1.9
81.03441	6.1
82.06591	4.4
84.99261	1.0
85.02923	6.1
85.08501	1.3
87.04476	1.0
91.05488	28.8
93.33438	0.8
97.02879	1.5
99.04466	62.2
99.06400	2.7
100.03979	1.0
100.07629	11.2
101.02405	1.0
105.02797	0.8
105.03393	4.8
105.07047	6.2
115.05469	59.5
116.06306	1.9
117.07032	90.9
118.06562	15.4
118.07341	1.5
121.96677	5.8
123.31400	1.0
127.03947	12.7
130.07816	4.9
145.05104	3.6
145.06499	100.0
145.10121	15.7
145.14163	1.1
146.06004	2.6
146.08131	3.5
155.06042	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	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
53.03951	3.8
53.44437	0.4
55.01874	2.2
57.03435	1.8
57.31794	0.4
62.92984	0.6
67.05501	1.2
69.03421	0.8
70.82277	0.6
70.82593	0.7
71.01357	0.6
71.04998	10.2
72.08150	0.7
79.05476	1.0
81.03419	3.6
82.06581	1.2
82.39764	0.5
84.08147	0.6
85.02916	2.8
85.08472	0.9
89.03913	4.2
91.05487	12.1
97.02919	0.6
99.04459	30.6
99.06364	0.8
99.30994	0.5
100.07616	1.4
101.02361	0.9
103.05460	1.9
105.07037	37.9
106.07352	0.5
115.05461	10.0
115.06274	0.6
116.06210	1.3
117.03384	1.9
117.07024	25.2
118.06562	0.8
119.44427	0.4
121.96632	1.7
127.03925	6.5
128.06221	4.0
129.07014	7.3
130.07793	36.2
131.08133	0.8
143.08571	6.6
145.05115	2.8
145.06493	10.2
145.10132	100.0
146.06023	0.7
146.08081	0.7
146.10516	2.3
155.06065	1.3
157.07648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
53.60928	0.8
55.01867	2.2
57.03429	2.0
62.92981	4.8
70.78748	1.0
71.05003	9.3
81.03413	3.7
82.06593	12.3
82.29990	0.7
85.02909	1.5
85.08507	0.8
91.05491	23.7
99.04462	30.4
99.05118	1.6
99.06392	1.0
100.04803	0.7
100.07628	29.8
100.11263	1.1
103.05449	1.6
105.03419	4.6
115.05469	61.5
116.06296	1.8
117.07030	82.5
118.07336	1.7
121.96655	7.8
127.03926	4.9
127.05455	0.9
144.98285	0.9
145.06499	100.0
145.10172	2.1
145.14149	1.5
146.06950	1.4
146.08099	8.6
155.06047	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	145.0649
Annotation	1-Naphthol
Peak:m/z	Relative Intensity
53.03938	3.9
55.01865	3.7
57.03424	2.6
62.92999	6.8
70.57298	1.9
70.57633	1.0
71.01347	1.5
71.05002	18.9
74.20365	0.9
81.03414	5.7
82.06577	2.6
83.28342	0.8
85.02913	3.1
91.05492	21.4
94.92072	0.8
95.04976	1.1
98.20778	0.8
98.41418	0.8
99.04469	55.3
99.06344	2.2
100.04751	0.9
100.07632	7.8
100.11276	1.3
101.02408	1.4
102.13345	0.8
103.05468	1.2
105.03429	3.9
105.07010	0.9
115.05471	62.3
116.06239	2.6
117.07032	91.4
121.96651	12.7
127.03912	9.5
130.07797	1.1
145.05075	3.7
145.06502	100.0
145.10159	1.9
146.06888	1.6
146.08131	2.4
155.06026	3.2
163.39543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0649
Annotation	1-Naphthol
Peak:m/z	Relative Intensity
53.03938	2.6
53.60928	0.8
55.01867	2.2
57.03429	2.0
62.92981	4.8
70.78748	1.0
71.05003	9.3
81.03413	3.7
82.06593	12.3
82.29990	0.7
85.02909	1.5
85.08507	0.8
91.05491	23.7
99.04462	30.4
99.05118	1.6
99.06392	1.0
100.04803	0.7
100.07628	29.8
100.11263	1.1
103.05449	1.6
105.03419	4.6
115.05469	61.5
116.06296	1.8
117.07030	82.5
118.07336	1.7
121.96655	7.8
127.03926	4.9
127.05455	0.9
144.98285	0.9
145.06499	100.0
145.10172	2.1
145.14149	1.5
146.06950	1.4
146.08099	8.6
155.06047	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	145.065
Annotation	1-Naphthol
Peak:m/z	Relative Intensity
53.03942	3.9
55.01857	1.8
55.05487	1.0
57.03428	2.4
62.92999	11.0
69.03440	1.0
69.54336	1.9
69.54745	4.5
70.06573	1.1
71.04605	1.0
71.05000	16.2
81.03424	4.6
82.06592	12.4
84.08141	1.7
85.02913	3.3
85.08437	0.9
86.06059	2.0
87.04476	1.0
91.05493	10.6
94.45931	0.7
98.20933	2.6
99.04465	47.5
99.06401	2.8
100.07631	30.5
100.11248	3.1
101.02415	1.3
103.05489	8.4
103.95615	1.4
105.03388	1.2
105.07058	1.2
110.63220	0.8
115.05464	31.3
117.07028	60.5
118.06572	1.2
118.07347	1.4
121.96651	21.6
124.13680	0.8
127.03944	9.3
127.05440	2.7
127.48415	0.8
128.07076	2.2
130.07851	1.3
144.98285	2.0
145.05107	3.4
145.06497	100.0
145.10173	3.3
145.14198	1.5
146.06938	1.3
146.08118	13.7
155.06056	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	144.102
Annotation	1,1-Dimethylpyrrolidinium-2-carboxylate
Peak:m/z	Relative Intensity
55.05517	0.4
56.96583	1.8
56.96812	0.3
57.03446	0.8
58.06604	1.0
60.04548	0.4
60.95870	0.7
61.02931	0.4
61.13277	0.3
69.81075	1.6
70.06593	1.3
70.48481	0.3
70.98143	0.4
71.05019	0.4
73.02921	0.3
82.06578	2.0
84.08150	100.0
85.02896	0.6
85.08500	0.9
98.06068	1.1
98.09697	6.1
98.20851	0.5
98.97610	1.8
101.00878	0.3
102.00986	0.4
102.02264	0.5
102.52477	0.3
102.96867	1.3
103.00654	0.5
119.01952	0.5
120.02033	0.7
120.97904	0.8
121.01688	0.5
126.05573	0.4
136.81601	0.3
138.61024	0.3
144.06563	0.9
144.10210	32.3
145.10512	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.102
Annotation	1,1-Dimethylpyrrolidinium-2-carboxylate
Peak:m/z	Relative Intensity
55.05520	2.1
56.05041	1.5
57.04582	0.4
58.23339	0.3
60.05659	0.4
60.24980	0.3
60.95856	0.8
70.06606	4.4
71.00480	0.7
71.04996	1.1
82.06583	6.2
84.08153	100.0
85.02915	0.6
85.06555	0.5
85.08474	1.0
86.09707	0.6
98.06071	4.9
98.09704	16.1
99.04462	1.0
102.00987	0.7
102.46003	0.3
102.96884	5.1
103.00640	1.1
105.03230	0.3
120.02077	1.1
120.97949	2.4
121.01698	1.1
126.05524	4.6
126.06380	0.3
126.12814	0.4
126.77277	0.3
144.06580	6.0
144.10219	25.3
144.11194	0.9
144.13824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.3
58.06603	1.6
60.08180	0.3
67.05524	0.3
69.88361	1.3
70.06593	1.0
72.08164	0.3
82.06577	1.0
84.08151	100.0
85.02915	0.3
85.06546	0.6
85.08470	1.5
86.78539	0.3
88.52891	0.3
98.09702	7.1
98.21432	0.4
101.00900	0.4
103.00635	0.3
110.88960	0.2
121.01688	0.4
144.10211	42.4
144.13872	1.0
145.10600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0657
Annotation	2-Hydroxymethylclavam
Peak:m/z	Relative Intensity
54.03485	1.3
55.05516	30.8
58.06578	0.9
65.58493	0.6
70.06599	5.5
70.94723	1.3
82.06586	100.0
83.06904	1.6
84.08150	91.9
98.06072	5.8
98.09701	36.6
98.10357	1.3
99.04462	1.0
103.66969	0.8
126.05526	64.7
127.05841	0.9
144.06572	63.7
144.10207	36.8
144.11374	1.1
145.06929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91631	2.7
58.41204	2.4
60.95863	16.4
67.37580	2.3
70.92500	5.9
75.94562	4.4
78.11262	2.6
84.00030	2.4
84.40759	2.3
84.99625	2.4
98.06033	3.4
101.00882	10.6
102.00962	18.4
102.96876	100.0
103.00642	25.9
119.01939	10.8
120.02017	25.5
120.97914	46.5
121.01677	44.4
121.02461	4.2
126.02190	3.4
135.67575	2.8
138.02939	5.1
138.98958	7.3
139.02689	6.4
142.03520	6.2
144.03220	18.5
158.19096	2.7
162.04366	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	144.0657
Annotation	3770-22-7
Peak:m/z	Relative Intensity
53.03937	1.6
54.03460	1.5
55.05517	29.9
57.03435	1.0
60.95850	1.0
70.06597	9.9
70.94557	1.0
70.94877	0.9
71.04999	3.9
82.06591	100.0
83.06929	1.1
84.08152	50.5
85.02915	3.8
85.08495	0.9
86.09692	0.9
91.70168	0.8
98.05429	1.2
98.06068	21.1
98.09701	15.4
99.04465	7.6
102.96880	4.5
116.07083	1.0
120.97921	1.5
121.07037	1.0
126.05534	66.4
126.12816	2.7
127.03939	0.9
127.94100	0.7
139.01749	1.1
144.03763	2.2
144.06580	74.0
144.10216	17.3
144.13817	4.7
145.04948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	18.6
57.07079	16.9
65.03934	3.7
67.05493	13.7
69.03427	9.4
69.07059	3.0
70.06593	14.5
70.64941	2.7
70.98311	3.8
70.98641	5.0
71.04604	5.0
71.04996	100.0
71.06920	6.2
73.06551	7.2
79.05502	7.0
81.07039	7.2
81.97245	2.9
83.04980	10.4
83.08622	10.0
84.08154	49.0
85.06553	45.8
91.05484	3.6
97.02895	7.5
97.06573	4.0
97.10180	11.0
98.06052	23.6
98.09682	9.6
107.08613	34.7
125.02353	12.7
125.09647	18.7
126.09148	3.4
126.12801	19.2
128.06213	6.3
143.03403	33.9
143.08080	5.5
143.10696	6.3
144.06558	5.3
144.08089	9.0
144.10187	9.0
144.13855	29.8
146.28889	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	142.0865
Annotation	Hypoglycine
Peak:m/z	Relative Intensity
51.82103	1.2
52.06047	1.2
53.03939	3.7
55.01864	3.3
55.05510	5.3
56.05032	3.0
56.36754	1.1
57.03440	15.2
58.06595	1.9
60.04512	1.3
65.03902	1.3
67.05524	7.5
68.05035	3.4
69.03436	6.9
69.07085	9.8
69.69527	6.6
70.06600	21.6
71.05012	7.5
71.08636	1.7
72.04510	3.4
72.08164	18.0
79.05501	49.4
80.05030	2.8
81.04553	9.3
81.07065	30.4
82.06580	3.7
83.04990	2.3
83.06098	2.1
83.08627	1.4
84.08149	17.4
85.54460	1.1
85.79840	1.1
86.06069	3.8
93.07078	2.1
95.04996	1.8
95.06100	4.0
95.08626	6.3
96.04487	3.5
96.08141	13.8
97.01483	1.2
97.02901	12.7
97.06539	84.0
98.06887	1.3
98.97623	1.5
100.07625	8.3
101.00867	1.6
106.06570	9.0
112.11255	1.4
114.05475	1.3
114.09174	11.0
118.96777	3.7
118.98286	1.1
119.01949	2.9
119.79448	1.1
124.07602	28.3
124.08692	7.0
125.02376	14.7
125.06004	100.0
142.04982	4.9
142.08650	61.5
142.12231	2.8
143.03412	61.9
160.98264	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	19.7
57.07068	12.5
66.43653	4.1
67.05492	18.6
67.43182	4.0
69.03421	13.2
69.07047	4.8
70.06579	18.2
71.04999	100.0
71.06933	6.6
71.53143	5.8
73.06564	9.9
79.00208	3.8
79.05501	6.9
81.07035	5.1
83.04993	10.6
83.08595	14.1
84.08155	57.1
85.06551	49.5
85.08469	6.2
97.02894	9.5
97.06550	6.5
97.10187	8.9
98.06062	33.0
98.09719	10.3
102.51088	4.3
107.08601	36.0
109.24468	4.3
125.02380	11.5
125.09644	25.4
126.12812	26.7
128.06181	5.6
143.03441	49.7
143.08997	5.9
143.10703	7.2
144.06635	9.5
144.08058	17.2
144.10228	9.1
144.13835	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.05513	19.5
55.46163	3.0
56.64578	3.3
57.07076	15.4
57.19415	3.6
67.05497	10.1
69.03429	6.9
69.56409	2.8
70.06590	15.6
71.04999	100.0
71.06915	5.0
72.39140	3.0
73.06544	9.6
79.05484	6.3
81.07066	6.1
83.04971	10.3
83.08617	10.2
84.08153	39.5
85.06548	46.3
85.08478	4.1
97.02908	7.8
97.08919	3.0
97.10220	16.7
98.06073	19.0
98.09693	9.5
107.08599	34.4
125.02351	12.9
125.09620	23.4
126.12785	14.7
128.06203	3.6
143.03406	39.9
143.09024	7.1
143.10670	7.9
144.06540	8.9
144.08076	14.3
144.10239	3.9
144.13864	39.0
161.61397	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96579	27.3
57.03446	6.6
58.94330	3.9
60.90190	3.5
69.03414	3.6
69.81657	12.1
70.06599	46.7
70.39301	3.8
70.39699	3.7
76.71878	3.3
82.99864	10.6
84.08162	56.4
84.96014	4.4
98.20824	4.8
98.97600	27.5
100.02486	5.5
101.00896	60.3
116.98672	4.3
119.01933	100.0
124.02437	8.5
125.02348	4.1
128.98653	4.1
137.02945	12.5
142.03517	43.9
142.08638	6.6
143.03461	4.3
148.85760	4.1
160.04558	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	25.8
57.03466	9.8
60.58664	4.1
66.68059	4.1
69.45822	27.8
69.46236	8.5
70.06600	54.2
73.02937	6.5
74.72269	3.8
80.55334	4.7
82.99854	11.0
84.08159	45.5
84.96062	5.0
85.02884	4.3
97.02893	5.2
98.97589	28.3
100.97207	5.3
101.00889	74.1
105.74931	3.8
110.01292	7.5
116.98642	6.6
119.01937	100.0
124.02460	5.6
125.02380	4.8
137.03000	14.0
142.03513	46.6
142.08640	14.5
143.03409	10.1
160.04529	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	142.0865
Annotation	Hypoglycine
Peak:m/z	Relative Intensity
53.03953	2.7
55.01863	2.8
55.05503	1.5
56.05018	1.2
57.03441	14.5
58.06600	1.7
65.03934	1.9
67.05505	5.0
69.03423	5.1
69.07074	8.3
69.48376	1.2
70.06599	9.8
70.75883	3.0
71.05013	6.8
72.04520	2.0
72.08165	12.4
72.11110	1.6
79.05500	42.1
80.05035	1.4
81.04539	5.7
81.07064	23.5
82.06598	2.2
84.08158	8.2
89.20782	1.2
95.08624	2.4
96.08139	6.8
97.02882	5.1
97.06540	79.3
98.06895	1.3
98.21413	1.4
100.07619	3.5
100.50215	1.2
101.00897	1.4
106.06557	5.8
112.35099	1.1
114.09170	5.5
119.01909	1.3
124.07600	19.2
124.08703	3.9
125.02362	6.9
125.06005	100.0
142.08647	46.9
142.09770	2.6
142.12323	2.0
143.03413	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66243	11.7
70.66607	10.4
82.99825	6.0
101.00897	60.8
119.01929	100.0
124.02459	6.4
137.02972	13.4
142.03502	41.1
160.04565	11.0
162.86525	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82666	7.4
51.66370	6.1
57.66361	6.9
63.75296	7.3
70.91935	16.6
100.97157	6.9
101.00883	59.8
111.33372	5.9
114.36878	6.5
119.01935	100.0
124.02409	9.0
137.02971	14.4
142.03508	58.3
142.04524	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	141.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01870	0.4
65.03935	0.8
67.01868	2.4
67.05492	0.5
68.99799	2.7
69.72984	1.1
69.73386	0.8
73.06555	0.6
81.03427	11.9
85.02914	0.6
95.04985	4.8
98.03681	7.9
99.04463	0.6
108.02119	0.7
109.02890	9.7
111.04456	0.4
113.06030	3.6
123.04455	4.1
126.03149	10.1
127.03942	4.7
141.05479	100.0
142.05881	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36375	0.3
53.03960	1.7
54.21297	0.3
55.05492	0.4
56.55252	0.3
59.93905	0.4
64.46797	0.3
65.03934	0.3
67.01870	2.6
67.05501	1.1
68.99799	2.5
69.03450	0.4
70.94960	0.5
70.95280	0.5
73.06546	0.3
81.03425	13.4
81.26986	0.4
83.05003	0.3
85.02924	0.5
95.04992	4.7
98.03686	7.4
99.04453	0.9
108.02122	1.3
109.02893	9.0
113.02390	0.4
113.06033	3.7
116.98627	0.3
123.04433	3.3
126.03149	10.8
127.03939	5.4
137.03458	0.3
141.05479	100.0
142.05807	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0546
Annotation	3-METHOXYCATECHOL
Peak:m/z	Relative Intensity
50.83158	0.5
53.03940	1.5
55.05496	0.5
55.79642	0.5
65.03945	0.7
67.01859	3.0
67.05494	1.6
68.99783	2.5
69.55241	3.3
73.06549	0.6
74.01252	0.5
81.03415	12.9
81.07040	0.9
85.02890	1.0
87.40011	0.5
95.04969	5.3
95.91404	0.5
98.03674	7.9
98.19018	0.6
99.04466	0.8
102.02386	0.5
103.17969	0.5
108.02138	0.9
109.02877	9.8
113.02354	0.8
113.05998	3.6
123.04439	3.6
126.03133	9.8
127.03920	4.4
141.01869	1.5
141.05467	100.0
142.05800	1.1
142.74121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0547
Annotation	3-METHOXYCATECHOL
Peak:m/z	Relative Intensity
51.48549	0.4
53.03944	1.7
65.03938	0.6
67.01878	2.6
67.05507	0.8
68.99799	3.6
69.03430	0.5
71.15816	0.7
73.06571	0.4
81.03429	14.6
83.04924	0.4
85.02889	1.1
95.04998	4.0
98.03683	7.5
99.04470	0.6
108.02103	1.5
109.02895	9.6
111.04469	0.4
113.06011	3.5
123.04446	4.0
126.03155	11.0
127.03945	4.8
141.05482	100.0
142.05817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0545
Annotation	5-Methoxyresorcinol
Peak:m/z	Relative Intensity
50.82082	0.5
53.03945	1.2
55.01864	1.0
55.05494	0.6
58.06590	0.7
67.01877	3.0
67.05499	1.1
68.99800	2.0
69.03439	0.8
70.06603	3.4
71.52575	0.6
71.87292	0.6
72.08158	1.1
81.03427	14.9
84.08136	1.0
85.07668	1.0
91.07346	0.5
93.85381	0.5
95.04973	5.7
95.08566	0.8
96.08141	1.4
97.06534	0.9
98.03693	6.9
99.04478	0.7
108.02079	0.8
109.02884	8.7
111.00826	0.8
112.08742	2.8
113.02383	1.6
113.06025	4.0
114.09207	0.9
115.05399	0.5
123.04433	4.1
126.03147	11.1
127.03929	4.6
129.60237	0.6
136.00053	0.8
141.01871	1.6
141.05479	100.0
141.11354	2.0
142.05846	1.3
142.08655	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	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98630	0.5
56.96297	0.9
56.96571	14.6
61.55612	0.5
63.21027	0.4
70.67939	1.3
71.95280	3.8
72.29969	0.5
98.97596	100.0
102.60970	0.5
116.98635	39.0
132.45993	0.5
134.99673	8.0
140.00189	0.8
141.03452	0.5
141.05495	1.6
146.65088	0.5
146.83620	0.5
159.16753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63380	0.4
56.96299	0.7
56.96571	11.8
61.89887	0.5
69.52763	2.9
71.95269	3.9
84.65150	0.4
93.71509	0.5
98.21491	0.9
98.97592	100.0
115.94808	0.5
116.98631	38.8
120.16768	0.4
133.51556	0.4
134.99672	7.7
140.00215	1.0
145.43166	0.5
153.00752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98633	0.7
56.96569	15.1
69.29692	0.4
69.68645	1.6
69.69048	0.8
71.95263	4.2
98.97590	100.0
103.27133	0.5
116.98631	36.8
128.02409	0.5
134.99666	7.9
140.00201	1.0
153.00743	0.6
156.08255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.082
Annotation	4-Amino-5-hydroxymethyl-2-methylpyrimidine
Peak:m/z	Relative Intensity
51.82606	2.5
53.52571	3.1
55.54282	3.2
57.04553	9.9
58.02970	35.6
67.05517	3.4
69.19653	7.0
69.20063	22.7
70.06583	7.0
94.41148	2.5
98.07193	100.0
98.09705	10.2
99.05596	34.5
112.07587	4.9
112.08733	6.7
116.60364	2.7
122.05965	2.5
122.06274	4.7
122.07165	54.4
132.01022	2.9
139.54536	3.0
140.03497	6.2
140.07108	7.4
140.08191	66.1
140.10701	15.2
140.11778	5.5
140.14316	5.0
157.45996	3.1
159.26561	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	139.1483
Annotation	3-Ethyl-1,5-octadiene
Peak:m/z	Relative Intensity
53.03940	2.8
55.05519	73.5
57.07082	18.5
58.02963	3.8
59.00235	2.4
60.30732	2.4
69.07072	43.6
69.21344	24.9
81.07050	3.3
83.08628	100.0
84.08120	4.1
93.04517	4.1
95.06121	3.8
97.10189	20.1
98.07174	9.1
98.09686	3.3
121.04030	18.0
122.07143	7.3
139.05023	10.9
139.08658	7.1
139.12294	21.9
140.08180	4.1
147.45001	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	139.1119
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
51.17987	5.7
55.01868	14.4
55.05515	37.8
56.85304	6.4
56.96563	23.3
57.07066	8.0
59.04996	5.5
62.27870	5.1
67.05165	5.1
67.05500	29.0
69.03429	16.0
69.06732	7.0
69.07074	96.2
69.87327	11.8
69.87719	11.8
70.06577	6.9
73.85457	4.6
79.05499	17.8
81.07047	27.2
83.04991	100.0
89.31194	4.5
93.03382	5.8
93.04520	16.0
93.07061	53.0
95.06101	6.6
95.08630	35.5
97.06534	19.2
98.07176	10.0
98.97607	17.1
98.98457	29.5
111.04494	27.8
111.09216	7.5
116.97255	8.1
116.98662	9.8
121.03992	55.7
121.10147	27.2
134.99716	7.3
139.03906	14.4
139.05046	29.4
139.07579	9.4
139.08656	9.8
139.11188	47.7
139.12312	50.9
140.03423	7.5
140.08163	5.4
140.10672	6.0
158.01343	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	139.0391
Annotation	Salicylate
Peak:m/z	Relative Intensity
50.65631	0.4
53.03942	0.5
55.01870	1.4
55.05500	1.2
56.96579	3.2
62.09604	0.4
64.30177	0.4
65.03616	0.7
65.03950	11.5
66.76274	0.4
67.05512	2.3
68.99790	1.0
69.03424	1.5
69.07063	1.1
69.84951	1.4
70.06580	0.7
70.38495	0.4
79.05502	1.0
80.05027	0.6
81.07081	0.6
83.04995	2.8
83.06088	0.4
88.08252	0.4
91.05479	0.8
93.03428	7.3
93.04559	0.6
93.07061	3.0
94.06600	0.7
95.04984	3.8
95.06122	0.7
95.08610	1.2
97.02937	0.8
97.06535	1.8
98.97594	5.0
98.98483	3.2
111.04458	15.0
112.07633	1.0
116.97252	0.6
116.98619	2.7
121.02884	100.0
121.03934	4.9
121.10178	0.4
122.03220	1.4
122.06083	0.9
124.05230	0.4
134.99715	0.7
139.03932	18.8
139.04929	0.9
139.05855	0.9
139.07556	1.1
139.08604	0.7
139.11241	1.4
139.12343	1.8
140.03392	0.4
140.07007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0392
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03950	2.7
53.25444	0.5
55.01865	1.0
55.05507	0.9
56.96573	6.6
59.05019	0.5
65.03934	2.1
67.05487	0.5
68.99784	0.8
69.03426	1.9
71.52306	0.6
79.05497	0.8
80.04993	0.5
81.03427	24.6
83.04988	1.5
91.05498	0.8
93.03389	1.9
93.07040	1.1
95.04950	0.6
95.08634	0.8
97.06527	1.2
98.97606	2.2
98.98473	2.9
105.04544	0.5
109.02892	100.0
110.03213	0.7
111.04453	6.4
116.97201	0.7
116.98645	1.0
121.04010	1.5
121.10214	0.6
124.05212	1.2
127.03934	4.7
134.99655	0.4
139.03932	23.6
139.05038	1.9
139.07556	2.0
139.11189	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	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03957	2.0
55.01880	4.6
55.05518	2.1
56.96563	1.5
65.02348	0.5
65.03614	0.6
65.03952	10.5
67.01868	2.6
67.05181	0.5
67.05516	5.9
68.99803	8.0
69.03441	2.1
69.07064	0.5
69.71729	2.3
71.01365	1.3
78.12249	0.4
79.05492	0.8
83.04991	5.5
89.61028	0.3
93.03419	8.9
93.04599	0.4
93.07051	0.8
95.04981	2.3
97.02901	2.2
97.06531	0.8
98.33206	0.4
98.97573	0.8
98.98482	0.6
99.00797	0.6
105.04403	0.4
111.04462	19.2
121.02879	1.8
121.03998	0.8
136.80547	0.4
136.81612	0.4
139.03922	100.0
139.05797	5.1
140.04254	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
52.40837	0.2
53.03942	0.4
55.01869	0.3
55.30962	0.2
59.00908	0.2
59.11425	0.2
65.03944	1.2
67.05491	0.6
68.05033	0.5
68.99784	0.5
69.03427	0.2
71.04230	0.3
71.04566	0.4
78.03458	4.5
79.04240	1.0
79.04645	0.2
79.62764	0.2
80.05030	0.3
82.06584	0.2
83.04999	0.5
92.05006	0.3
93.03417	0.3
93.05801	0.3
94.06560	0.8
96.04497	8.8
96.05116	0.5
96.08970	0.2
106.02885	0.3
108.04476	3.2
109.05276	0.4
109.66586	0.2
110.06053	1.2
110.06685	0.2
110.09687	0.3
111.03183	0.2
111.04448	1.4
119.93356	0.2
120.04507	0.4
123.33221	0.2
124.03964	2.4
125.20460	0.2
125.45190	0.2
136.03961	0.5
138.05505	100.0
139.03909	6.1
139.05693	1.1
154.05026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03951	0.3
65.03938	0.6
65.58158	0.2
67.05492	0.7
70.86092	0.3
70.86414	0.2
78.03448	0.6
89.22369	0.2
92.05016	6.5
92.05670	0.3
92.05853	0.4
93.05807	0.5
94.06576	11.9
96.04492	1.2
110.06054	5.4
120.05280	0.4
121.06545	0.9
123.42651	0.2
138.05513	100.0
139.05840	1.3
154.04938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.49802	0.2
56.96569	0.4
57.38976	0.2
65.03935	0.6
67.05495	0.6
69.41233	0.9
69.41651	0.7
78.03453	0.5
79.04210	0.3
80.70377	0.2
92.05011	6.8
93.05779	0.5
94.06573	12.4
96.04488	1.4
98.97556	0.2
108.12020	0.2
110.06053	6.2
121.06511	0.5
136.03967	0.4
138.05511	100.0
139.05879	1.6
154.05060	0.2
157.25269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03953	1.7
55.05515	5.1
57.07077	9.1
67.05506	22.9
69.07074	9.5
70.50713	2.6
71.99519	0.8
73.47078	0.8
77.76745	0.7
79.05497	6.6
81.07063	65.4
82.07398	1.0
91.05489	9.4
93.07049	8.1
94.04201	7.7
95.04968	1.8
95.08612	100.0
96.08920	1.7
107.08576	1.4
108.09367	0.9
109.06526	4.0
109.10169	8.4
119.04937	3.5
122.03666	12.9
122.07308	1.3
137.02463	3.9
137.05975	36.2
137.09628	4.1
137.13261	16.8
138.05525	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
55.05508	3.6
57.07086	11.4
65.96716	1.0
67.05510	20.4
69.07075	7.7
70.57236	1.8
71.55953	0.8
79.05508	7.7
81.07067	85.4
85.06147	0.8
91.05486	2.3
93.07070	4.8
95.08618	100.0
102.93469	0.8
107.08576	1.4
109.10140	5.6
123.65005	1.0
137.02470	1.5
137.05975	3.2
137.13272	17.0
141.64175	0.9
144.90305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1327
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
50.76707	0.8
53.03933	1.5
55.05523	4.9
57.07086	10.4
61.30947	0.9
65.03931	1.1
65.83449	0.9
66.04729	0.8
67.05515	22.8
69.07079	8.2
69.50461	6.5
79.05505	8.7
81.07066	86.7
91.05508	5.4
93.07047	6.7
94.04208	7.8
95.08620	100.0
96.08965	1.9
103.28918	0.9
109.06532	1.7
109.10178	6.1
119.04945	2.0
120.04512	1.1
122.03658	11.4
137.02460	3.1
137.05962	24.4
137.06953	1.6
137.09656	2.0
137.13283	19.1
138.09193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03936	2.9
55.01863	1.2
55.05514	5.5
57.07078	13.6
65.03940	2.5
66.04723	2.2
67.05510	27.1
69.07069	7.4
70.10682	4.2
79.05495	8.9
81.03412	4.4
81.07062	56.7
82.33545	1.0
91.05489	16.5
93.07056	8.5
94.04194	16.7
94.06567	1.0
95.04960	3.1
95.08611	100.0
96.08945	1.4
105.04471	1.4
107.05000	1.3
107.08604	1.6
109.02890	0.9
109.06523	4.1
109.07595	1.3
109.10163	14.8
110.06075	1.1
119.04943	4.3
120.04511	1.0
122.03660	33.2
122.07277	1.7
124.40456	0.8
127.04021	1.1
131.68542	0.8
137.02386	7.5
137.03474	3.0
137.05983	74.8
137.09608	5.2
137.13257	22.2
138.05518	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	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
50.13332	1.2
55.05504	4.3
57.06839	1.2
57.07085	18.1
67.05184	1.9
67.05512	27.3
69.07062	5.0
71.37827	1.2
71.38164	1.1
73.06003	1.3
77.95531	1.2
79.05508	5.7
81.07066	36.9
82.16401	1.0
87.74319	1.1
91.05473	1.2
91.43592	1.1
93.07047	6.4
94.04185	3.4
95.08618	100.0
96.08933	2.1
108.09347	1.3
109.10160	16.2
122.03660	4.5
135.11662	1.2
137.06004	9.9
137.13274	27.4
150.76358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1327
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03960	1.3
53.35612	0.7
54.03466	1.4
55.04264	10.5
55.05518	4.0
57.07080	12.9
60.82286	0.7
65.03957	1.0
67.05516	22.8
69.07082	7.5
71.08635	0.8
71.12904	1.8
79.05489	5.6
81.07069	67.7
82.07418	1.1
83.06102	6.9
90.48112	0.9
91.05513	2.6
93.07059	4.8
95.06099	2.0
95.08618	100.0
96.05662	0.9
96.08961	1.7
107.08582	1.5
109.06486	1.4
109.10166	8.0
110.07204	1.0
110.09684	1.1
122.03631	0.7
137.02545	18.0
137.05855	1.5
137.08171	3.8
137.09778	1.2
137.10686	4.3
137.13274	22.5
138.01779	2.3
138.05513	2.1
138.09242	0.9
138.10283	0.8
138.12793	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	137.1327
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
53.03947	0.8
55.01881	0.9
55.05513	4.7
57.07077	6.6
65.03949	1.9
65.70468	0.8
67.05511	32.0
69.03439	1.2
69.07080	5.2
71.41499	1.3
79.05504	8.1
79.29345	0.7
81.07065	67.6
82.07371	0.8
91.04987	0.7
91.05495	10.5
93.07051	9.8
94.04210	3.2
95.04985	1.3
95.08616	100.0
96.08926	1.3
107.08618	0.9
109.06544	2.6
109.10138	6.6
119.04944	1.5
119.08583	3.3
122.03658	7.1
135.11707	0.8
137.02475	2.0
137.05965	17.0
137.06941	1.2
137.09634	12.9
137.13271	13.8
138.05507	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.05524	3.9
56.17993	0.9
57.07076	9.1
57.48282	0.9
65.03937	0.9
67.05510	19.7
69.07072	7.6
69.72306	4.0
79.05501	7.8
81.07065	86.8
82.07399	0.9
89.95564	0.8
91.05481	3.0
93.07067	6.2
94.04210	2.7
95.08617	100.0
95.82242	0.9
98.35860	0.8
109.09511	1.1
109.10162	6.5
110.60616	1.0
119.04917	1.3
122.03673	3.5
128.48105	0.8
137.02463	1.7
137.05957	8.3
137.13274	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	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
50.86106	0.8
55.05508	3.8
57.07084	8.2
67.05510	17.8
69.07076	9.6
69.82899	4.0
71.08623	1.6
75.83155	0.8
79.05501	7.4
80.81713	0.7
81.07064	79.6
82.07437	1.2
93.07050	5.3
95.08615	100.0
96.08961	2.1
100.25877	0.7
103.73997	0.7
106.49061	0.7
109.10172	4.8
137.05936	1.6
137.13274	17.9
138.13705	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1327
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
55.05521	5.9
57.07082	17.4
59.83660	0.6
60.89778	0.7
62.44580	0.6
65.03931	1.0
65.46674	0.6
67.05512	24.5
69.07063	6.3
69.81721	2.7
70.27097	0.7
79.05491	4.5
81.07067	37.5
82.07397	0.8
89.73335	0.7
91.05502	1.9
93.07051	6.8
94.04202	1.7
95.04970	1.0
95.08620	100.0
96.08945	1.4
98.21510	0.9
103.89582	0.8
107.08576	1.4
108.09398	1.7
109.10162	14.7
110.41059	0.6
122.03663	2.2
122.10945	1.1
127.00114	0.6
137.05930	4.8
137.10786	1.0
137.13274	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	137.1327
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
50.60851	1.1
53.03932	1.5
55.05517	4.7
57.06828	1.5
57.07080	17.9
65.03941	1.2
66.04739	1.4
67.05180	1.9
67.05512	22.1
69.07082	6.2
70.76778	1.5
70.77106	1.7
72.56272	1.0
79.05496	5.8
81.07064	39.3
89.31595	1.0
91.05473	2.9
93.07053	6.1
94.04198	12.9
95.08617	100.0
96.08939	1.2
107.04802	1.0
107.08585	1.1
109.10167	13.4
110.06049	1.1
119.04939	1.3
122.03662	23.1
137.02443	1.3
137.05975	46.5
137.09651	1.2
137.13275	24.2
138.05460	1.4
154.41479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35236	0.8
55.05512	3.4
57.07077	8.6
67.05513	21.2
69.07076	6.5
71.02309	0.8
74.13749	0.7
79.05489	5.4
81.07066	53.2
87.24675	0.7
93.07044	3.7
95.08617	100.0
96.08963	1.2
109.10184	6.4
137.13274	16.8
148.20540	0.9
150.46690	0.8
154.37134	0.7
158.17242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03941	1.8
55.05514	3.6
57.07083	10.3
57.59744	0.9
58.65649	0.9
65.03960	1.0
67.05178	1.4
67.05515	21.1
68.05006	1.1
69.07072	7.0
70.32731	3.2
71.73864	0.8
79.05502	7.1
81.07065	64.8
91.05488	7.6
93.07041	6.4
94.04192	2.6
94.06580	1.8
95.04987	1.6
95.08617	100.0
96.08949	1.0
98.60249	0.9
100.74237	0.9
102.58902	0.9
109.06532	2.2
109.10178	9.1
109.44122	0.8
110.09653	0.8
122.03661	3.9
122.07311	0.9
137.02470	3.6
137.04564	0.8
137.04945	1.3
137.05922	11.7
137.09656	3.0
137.10716	1.6
137.13268	18.8
138.05531	1.5
145.00439	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1327
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
55.05512	4.7
57.07082	19.1
65.03969	0.8
66.04727	0.7
67.05511	22.1
69.07079	5.5
69.79443	1.1
69.79839	2.4
77.16158	0.6
79.05502	5.1
81.07063	36.9
91.05493	1.9
93.07059	6.6
94.04190	3.3
94.06555	0.7
95.08615	100.0
98.79744	0.8
107.08614	1.6
108.09382	1.9
109.10158	12.4
111.34392	0.7
117.49947	0.7
118.91177	0.6
122.03678	6.3
124.40971	0.8
135.11728	0.7
137.02527	1.2
137.05988	19.5
137.13268	25.0
149.02475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1327
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03925	0.9
53.06012	1.0
55.05499	4.0
57.06796	1.1
57.07079	19.7
67.05509	23.0
69.07066	6.7
70.76595	2.8
79.05488	4.5
81.06594	1.9
81.07065	36.0
88.72005	1.1
91.05470	1.6
93.07037	4.9
95.08614	100.0
107.08586	1.6
108.09362	1.8
109.00716	0.9
109.10162	14.4
137.05930	2.0
137.13258	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	137.0598
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
51.02378	0.5
53.03940	1.2
53.24981	0.4
55.86680	0.4
56.70500	0.5
65.03945	0.8
66.04729	2.6
67.05494	1.6
69.69142	2.1
79.05487	4.2
81.07056	3.3
87.58119	0.4
91.05484	4.1
93.07043	1.4
94.04192	25.1
95.04996	0.9
95.08614	1.6
103.43159	0.4
105.03390	0.6
107.04940	1.4
109.06535	2.1
119.04929	0.4
122.03658	47.2
122.07301	0.7
123.04004	0.6
137.05983	100.0
137.09607	1.3
138.05495	1.5
138.06354	1.7
150.16322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	Toluate
Peak:m/z	Relative Intensity
51.02388	0.4
51.65948	0.3
56.96574	0.8
65.03951	5.6
66.23814	0.3
70.79915	0.4
70.80244	0.6
79.05499	1.4
81.07049	2.5
91.05489	100.0
92.05824	1.9
93.07046	0.7
94.04173	1.3
95.04406	0.6
98.97584	0.5
103.05510	0.5
107.04970	0.4
109.06513	3.3
117.02118	0.3
119.04954	41.8
120.03957	2.2
120.05308	0.9
121.06527	5.2
137.06001	38.2
137.06619	11.8
138.05525	1.5
138.06454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03946	0.8
54.10409	0.8
54.31763	0.7
55.05511	4.6
56.54726	0.7
57.07080	15.3
59.01682	0.7
65.03949	0.7
67.05508	19.1
69.07067	6.1
70.03442	3.3
71.08617	1.1
79.05497	6.4
81.07060	74.6
82.07360	0.9
91.05479	1.2
93.07063	4.5
94.04184	1.0
95.08613	100.0
96.08928	1.3
98.20817	0.9
99.81100	0.7
107.08559	1.2
108.09382	1.0
109.10160	9.5
118.10441	0.7
122.03707	1.3
135.11691	1.1
137.05927	3.6
137.12202	1.3
137.13268	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02378	0.3
53.03948	1.0
55.01892	0.4
65.03941	0.7
66.04720	2.6
67.05510	0.7
70.16262	0.3
70.76710	0.7
75.32674	0.3
77.03921	0.5
79.05495	3.1
79.94141	0.3
81.07051	2.1
85.45799	0.3
91.05484	3.3
94.04190	24.9
95.04969	0.7
95.08604	0.8
101.89207	0.3
103.35162	0.4
104.61609	0.3
105.03381	0.5
107.04967	1.0
109.06534	0.9
109.10208	0.3
122.03654	46.0
123.04041	0.5
137.05983	100.0
137.09555	1.3
138.06348	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.77964	0.5
51.02361	0.4
53.03942	1.1
55.01865	0.6
60.36006	0.4
65.03937	1.2
66.04724	3.0
67.05495	1.5
71.53210	0.8
77.03929	0.6
79.05489	4.7
81.03409	0.5
81.07071	4.5
91.05479	6.7
93.07056	0.7
94.04193	26.2
95.04965	1.3
95.08611	4.2
104.78052	0.4
105.03365	0.5
107.04959	1.3
109.06538	2.2
109.10156	0.5
119.04967	0.9
122.03654	44.2
123.03984	0.6
129.79585	0.4
135.04408	0.5
137.02443	1.6
137.05981	100.0
137.13225	0.9
138.05429	0.8
138.06331	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03949	1.2
55.01868	0.5
55.05517	0.8
57.07082	2.9
57.37807	0.5
65.03927	0.8
66.04733	3.2
67.05519	5.2
69.07063	1.4
70.14607	1.8
77.48851	0.5
79.05494	6.0
81.07064	14.4
91.04985	0.6
91.05495	7.0
93.07049	1.9
94.04196	26.2
95.04983	0.8
95.08621	18.1
98.33663	0.5
105.04494	0.8
107.04958	2.2
109.06522	2.2
109.10179	2.6
119.04923	1.2
119.08604	0.7
122.03661	45.5
122.07313	0.6
123.03971	0.8
137.02470	1.6
137.05989	100.0
137.13277	5.8
138.06366	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02394	0.4
52.80333	0.3
53.03951	1.1
55.01871	0.4
65.03943	0.8
66.04732	3.0
67.05513	0.4
69.89601	0.3
70.12282	1.0
77.03944	0.4
79.05493	3.2
81.07064	1.7
91.05494	2.7
94.04194	25.9
95.04974	0.5
95.08614	0.5
99.19012	0.3
105.03407	0.6
105.04556	0.3
107.04969	0.9
109.06548	0.8
115.14249	0.3
115.51643	0.3
122.03659	45.9
122.19913	0.3
123.03992	0.4
135.04474	0.6
137.05988	100.0
138.06320	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02399	0.6
53.03943	1.1
53.81579	0.6
55.05511	1.0
57.07066	2.1
64.91185	0.6
65.03945	1.0
66.04736	3.4
66.07038	0.5
67.05519	3.3
71.52007	1.2
74.92407	0.5
77.03924	0.6
79.05495	5.2
81.07065	10.0
89.41772	0.6
91.05491	4.9
93.07070	1.3
94.04196	30.5
95.04967	1.4
95.08614	12.9
107.04959	1.8
109.06512	2.1
109.10159	1.6
118.50209	0.5
122.03661	48.6
123.03971	1.1
131.69760	0.6
137.02429	1.5
137.05983	100.0
137.10698	1.1
137.13266	2.0
138.05476	1.7
138.06369	1.4
138.09151	1.1
143.03336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.83806	0.4
51.02382	0.5
53.03939	1.4
55.01871	0.8
57.07060	0.5
65.03940	1.6
65.13955	0.5
66.04718	2.5
67.05516	3.2
70.26092	0.5
70.26437	1.7
71.26635	0.5
79.05489	4.5
79.16248	0.5
81.03426	0.6
81.07063	5.6
91.05492	6.2
93.07050	1.7
94.04198	24.3
94.06561	0.6
95.05009	2.8
95.08617	5.3
105.03402	0.5
105.04537	0.8
107.04943	1.0
109.06537	5.5
109.10194	2.3
116.25890	0.5
119.04939	1.2
122.03663	43.0
122.82999	0.5
135.04439	0.7
137.02438	1.4
137.05991	100.0
137.09589	4.0
137.13232	0.9
138.05478	2.5
138.06424	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.38801	2.0
55.05505	4.2
57.07087	9.1
61.21184	1.8
67.05517	15.1
69.07061	5.4
70.30193	7.9
79.05482	7.0
81.06599	3.2
81.07066	61.7
91.05479	6.1
91.36930	2.2
93.07043	5.2
93.82545	2.0
94.04216	10.5
95.08619	73.1
98.20868	2.1
109.06530	3.7
109.10203	4.8
113.95483	1.8
122.03713	11.0
124.23891	1.7
137.02432	2.8
137.05983	100.0
137.09642	4.2
137.13249	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.29586	0.5
51.66091	0.6
52.37628	0.5
53.03942	1.2
54.54818	0.6
57.07070	2.5
64.28849	0.5
65.03943	1.6
66.04735	4.1
67.05524	3.3
69.07073	0.7
69.31502	2.3
69.31921	2.7
79.05499	5.2
80.44228	0.6
81.07056	7.1
85.52908	0.6
91.05491	4.1
93.07031	1.2
94.04195	27.4
95.04985	0.9
95.08617	13.7
107.04951	2.0
109.06512	2.2
109.10165	1.7
122.03660	47.6
137.05986	100.0
137.13266	4.4
138.06384	1.0
154.07864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03939	1.0
53.97364	0.5
55.01873	0.7
55.05518	0.6
65.03926	0.6
66.04716	3.5
67.05504	2.7
69.76212	2.2
77.03927	0.6
79.05492	3.9
81.07062	6.1
91.05492	5.8
93.07033	0.7
94.04194	28.2
95.08617	5.7
105.03412	0.7
107.04932	1.1
109.06534	1.2
119.04910	1.4
122.03662	46.8
135.04477	0.6
137.05986	100.0
137.13300	1.1
138.05418	1.0
138.06320	1.5
150.00264	0.5
151.02869	0.5
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
51.02365	0.6
53.03941	2.0
55.01882	0.6
55.05495	1.2
57.07088	2.1
60.53172	0.4
65.03939	1.3
66.04720	3.1
67.05511	6.1
69.03416	0.7
69.07064	1.3
70.83726	1.0
73.19747	0.4
77.03940	0.6
79.05128	0.6
79.05499	5.4
81.03419	0.6
81.06588	0.9
81.07063	15.8
91.04970	0.8
91.05486	7.1
93.07057	2.5
94.04195	27.0
95.04980	1.6
95.08613	21.2
103.89123	0.5
107.04980	1.6
109.06529	3.1
109.10177	3.3
110.06067	0.9
110.26725	0.5
119.04950	1.3
122.03658	43.7
122.07234	0.7
135.04350	0.9
137.02528	2.4
137.05986	100.0
137.09512	2.2
137.13260	4.2
138.05499	1.9
138.06410	1.0
158.24501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55407	0.2
51.60152	0.2
56.96574	0.3
67.12253	0.2
69.82842	0.9
71.68397	0.2
90.01553	0.6
92.02501	0.4
94.04060	2.9
99.02100	0.6
99.99286	0.2
109.05184	0.5
109.92795	0.2
119.03568	8.0
136.06203	100.0
137.04610	3.3
137.06546	0.8
145.10495	0.2
149.99290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.1123
Annotation	N-Methyl-beta-phenethylamine
Peak:m/z	Relative Intensity
50.36940	0.3
51.02375	0.4
53.03948	0.5
55.01869	0.3
56.96560	0.3
65.03944	0.6
66.99481	0.3
67.05516	0.4
69.03436	0.6
70.06628	0.2
71.52499	0.3
74.06083	1.3
77.03923	0.3
79.05508	3.8
80.05021	1.1
80.05831	0.5
81.07059	1.4
91.05495	3.4
92.05832	0.4
93.05788	0.3
93.07057	1.2
94.02930	0.5
94.04168	2.0
94.06568	0.6
94.07365	0.5
95.04980	1.0
95.08620	0.4
103.05492	2.6
104.96153	0.2
105.07042	100.0
106.07377	1.4
107.04984	0.5
107.08600	0.4
108.04477	1.1
108.05265	0.4
108.08176	0.6
108.08946	1.0
109.01126	1.3
109.06519	0.6
118.06560	0.9
118.08700	0.5
118.98347	0.3
119.03551	1.9
119.04937	0.7
120.08869	0.2
122.03667	1.8
136.02184	26.5
136.03940	2.1
136.05156	1.4
136.06201	27.8
136.07565	4.5
136.08563	0.6
136.09663	0.5
136.11217	6.3
136.12016	0.3
137.02411	0.6
137.04601	1.2
137.05989	5.6
137.09637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
51.72828	0.2
56.96569	0.3
57.06029	0.3
67.02991	0.2
71.16109	0.4
92.02493	0.3
94.04062	2.8
109.05107	0.6
119.03558	8.7
124.79243	0.2
136.06192	100.0
137.04608	3.8
137.06546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39754	0.2
53.21885	0.2
54.37231	0.2
55.21529	0.2
56.96562	0.6
60.46651	0.2
67.02995	0.2
67.13074	0.2
69.63949	0.4
69.64359	0.7
81.01035	0.4
86.02845	0.2
87.61807	0.2
90.01586	1.1
94.04066	3.0
98.20693	0.3
98.97553	0.3
99.02087	0.2
104.01299	0.3
109.05148	0.4
110.26237	0.2
113.01805	0.3
119.03564	8.5
136.06201	100.0
137.04608	2.9
137.06650	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
54.29475	0.9
54.53499	0.9
55.05520	8.6
56.79816	0.9
57.07080	1.8
65.03944	1.1
67.05529	1.4
69.07063	3.4
70.62872	1.4
70.63178	1.8
75.57005	1.0
79.05504	13.2
81.07047	2.0
83.26535	0.9
90.98610	1.0
91.05485	35.3
93.07051	51.6
94.07853	1.5
95.04974	4.4
102.86880	0.9
105.04530	3.3
105.07040	17.7
107.04905	1.6
107.08603	100.0
109.06532	4.2
119.06068	3.7
119.08614	7.3
120.09370	4.5
135.04393	3.0
135.05415	1.2
135.11703	43.8
136.02176	2.9
136.06175	1.8
147.88544	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.12410	0.8
52.12636	0.8
53.03944	4.1
55.05514	6.1
65.03953	2.0
67.05492	2.6
69.07054	3.2
69.54456	3.6
79.05496	11.6
81.07050	2.1
83.22285	0.8
91.04891	1.5
91.05480	27.2
93.07047	44.5
94.07828	1.0
95.04965	1.8
98.20819	1.1
105.04515	2.0
105.07027	12.5
107.04981	1.4
107.08596	100.0
108.08932	1.7
109.06487	4.4
117.07019	1.2
119.06068	2.9
119.07797	1.0
119.08575	6.9
120.09373	3.1
135.04451	1.3
135.11693	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03950	5.4
54.54102	0.7
55.01875	1.1
55.05518	9.4
55.86568	0.6
57.07077	1.4
65.03941	1.7
67.05515	4.4
69.07081	3.3
69.28167	5.8
73.48203	0.8
74.23100	0.8
75.73882	0.7
77.03931	1.6
79.05500	25.9
81.07061	6.0
89.03929	2.3
91.05492	36.8
93.07052	68.1
94.07356	1.2
95.04976	6.0
95.84039	0.7
98.49924	0.7
105.04520	2.3
105.07030	18.1
106.04160	0.9
107.04964	4.0
107.08604	100.0
109.06512	4.7
115.05493	0.8
117.07044	1.2
119.06074	3.4
119.08601	9.9
120.09387	3.7
133.10114	0.8
135.04433	4.4
135.05450	1.1
135.08057	2.6
135.11702	61.2
136.02158	2.7
136.06137	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03946	3.0
53.56285	0.3
55.01868	0.3
55.05516	3.7
57.07077	0.7
57.79901	0.4
65.03940	1.3
67.05499	1.5
69.07067	1.8
77.03942	1.0
79.05501	12.9
79.05968	0.7
81.03393	0.4
81.06635	0.3
81.07026	1.7
84.33416	0.3
91.05486	24.6
92.06280	0.5
93.07050	41.2
94.07365	0.6
95.04974	3.6
98.21516	0.8
103.05506	0.4
104.06244	0.4
105.04514	1.8
105.07038	12.8
106.04177	0.6
106.07811	0.6
107.04965	43.4
107.08601	100.0
108.08939	1.1
109.06526	3.5
109.45197	0.3
115.05438	0.4
117.07018	1.4
119.06081	3.0
119.08590	6.7
120.09379	2.5
133.10141	0.9
135.04424	5.0
135.05537	0.9
135.08073	11.5
135.11702	26.0
136.02156	3.0
136.06200	2.7
136.07561	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03963	3.1
55.01890	1.1
55.05515	4.0
65.03957	1.5
67.05514	1.9
69.07083	2.1
70.19183	0.7
70.47569	1.7
72.72398	0.6
79.05501	10.7
80.91988	0.6
81.07063	1.8
81.23912	0.5
89.96942	0.5
91.05492	20.3
93.07051	41.9
95.04976	2.3
95.08639	0.6
105.04528	1.1
105.07039	11.0
107.04955	4.7
107.08605	100.0
108.08913	1.1
109.06546	2.1
117.07005	1.1
119.03587	0.8
119.06074	2.7
119.08604	4.2
120.09356	1.4
135.04420	5.3
135.05380	1.0
135.08063	3.1
135.09090	1.1
135.11702	21.9
136.02156	4.8
136.06186	7.7
148.82307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	7.4
55.05515	13.2
55.07511	1.2
61.47961	1.3
65.03937	3.3
67.05504	9.1
69.07070	6.8
70.46294	3.3
77.03918	4.1
79.05498	44.6
81.07070	10.6
91.04906	2.0
91.05482	38.3
93.07051	86.9
95.04982	6.9
102.35020	1.6
105.03400	2.2
105.04533	4.4
105.07043	16.8
106.04205	1.5
107.04931	3.2
107.08601	100.0
108.08910	1.5
109.06520	4.3
119.06065	2.9
119.08617	6.5
120.09381	2.5
121.21425	1.4
135.04431	20.7
135.05475	3.1
135.08070	2.4
135.11696	59.2
136.02173	8.2
136.06198	14.6
136.07144	1.7
136.07657	1.6
136.12032	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	135.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.05516	7.6
57.03204	1.0
57.07080	1.0
57.15034	0.8
65.03938	2.6
67.05492	2.4
69.07066	3.3
69.47722	4.4
79.05497	14.5
80.72382	0.9
81.07061	2.2
91.05485	30.2
93.07051	51.1
94.07842	1.2
95.05004	1.8
97.71053	0.8
98.20731	1.9
103.09863	0.8
105.04513	2.7
105.07028	12.2
107.04977	2.7
107.08601	100.0
109.06503	2.9
117.07010	1.4
117.96349	0.9
119.06075	3.1
119.08591	6.5
120.09368	1.6
135.04433	3.7
135.08125	2.0
135.10696	1.6
135.11697	23.5
136.02180	2.5
136.06226	2.6
142.10309	0.8
154.33498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.9
55.05516	10.6
67.05500	4.2
69.07063	4.7
69.83158	5.5
71.87949	1.0
74.51986	1.1
77.03935	2.5
79.05069	2.1
79.05499	27.4
81.07054	5.1
88.50242	1.2
91.05489	30.9
93.07052	100.0
94.07365	1.4
95.04982	7.6
98.17609	1.2
105.03408	1.7
105.04534	3.0
105.07022	10.4
107.04964	2.1
107.08604	80.1
109.06518	2.1
110.24986	1.0
110.74939	1.3
119.06061	3.0
119.08571	4.2
120.09365	1.7
135.04446	19.3
135.11702	35.8
136.02138	2.3
136.06201	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03960	8.1
55.01868	6.0
55.05524	7.3
61.06994	1.6
62.98265	2.3
65.03955	1.8
67.05499	3.4
69.07071	3.7
69.60715	10.2
77.03911	3.4
79.05090	1.7
79.05505	26.7
80.04148	1.4
81.07066	3.2
91.05489	40.4
93.07050	55.9
95.04992	7.5
98.21489	3.2
105.03400	2.4
105.04519	3.3
105.07047	21.4
107.04940	6.2
107.08606	100.0
109.06488	4.6
109.40013	1.5
115.05479	1.9
117.07015	4.8
119.03557	2.2
119.06099	2.8
119.08603	13.6
120.09358	5.3
127.45522	1.5
135.03412	2.2
135.04439	34.3
135.05469	2.5
135.06551	2.8
135.08052	12.9
135.09068	3.0
135.10715	2.7
135.11690	39.6
136.02190	9.2
136.06190	30.8
136.07283	2.3
136.07610	1.4
137.04602	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.3
53.03952	7.8
55.05513	10.6
65.03917	1.6
67.05499	2.6
68.94318	0.9
69.07055	4.7
70.83059	1.1
70.83397	2.2
73.65559	1.0
75.92415	0.9
77.03932	1.3
79.05072	1.7
79.05499	25.6
80.27293	0.8
81.07062	3.6
91.05487	36.3
92.02615	1.4
93.07050	92.6
94.07353	1.6
94.07878	1.4
95.04969	5.2
105.04505	4.5
105.07031	16.0
106.07842	1.1
107.04970	2.2
107.08604	100.0
109.06518	3.3
117.06950	1.5
119.06054	3.7
119.08586	8.7
120.09381	2.7
135.04436	7.6
135.05539	2.8
135.06688	0.9
135.08052	1.0
135.11705	38.5
135.12735	2.1
136.02180	3.3
136.06178	4.4
136.12086	1.3
146.08521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19665	1.1
53.03955	13.7
55.05516	12.8
65.03940	2.8
67.05510	5.8
69.07066	4.4
69.19027	7.8
69.19453	6.3
70.82045	1.3
76.98581	1.6
79.05067	2.6
79.05501	36.3
81.03429	2.6
81.07068	8.0
81.38082	1.3
91.05490	40.8
92.02643	3.5
93.07055	79.3
94.07877	1.7
95.04975	10.9
98.24137	1.3
105.03420	1.5
105.04545	7.7
105.07037	14.8
106.07788	1.3
107.04972	11.1
107.08605	100.0
109.06540	4.5
118.06531	1.6
119.06087	3.9
119.08559	8.2
120.09354	3.0
135.04462	39.3
135.05534	6.2
135.06523	2.4
135.08067	12.1
135.09067	2.7
135.10695	2.5
135.11703	41.4
136.02200	17.3
136.05254	2.6
136.06187	16.3
136.07591	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	135.1171
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03944	3.6
55.05517	7.4
57.07087	0.6
65.03917	1.1
67.05511	3.5
69.07066	3.5
69.40718	3.5
75.15777	0.5
77.03941	0.8
79.05502	17.3
81.07066	4.0
90.04224	0.6
91.05492	25.3
93.07053	56.9
94.07853	1.3
95.04968	3.3
105.04543	2.1
105.07043	12.8
106.04191	0.5
107.04981	2.0
107.08604	100.0
108.08923	1.0
109.06499	2.8
117.07035	0.9
119.06076	2.8
119.08595	4.7
120.09386	1.9
120.12592	0.5
135.04431	3.5
135.05379	0.7
135.06493	0.6
135.08093	1.2
135.11702	25.8
136.02205	1.0
136.06210	0.9
152.24861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.7
55.05519	8.0
57.07066	1.5
62.21986	1.1
65.03944	2.0
67.05515	1.8
69.07068	4.1
70.30629	3.9
70.30981	1.6
71.53455	1.1
77.03939	2.9
79.05503	18.2
81.07047	2.9
82.21077	1.1
91.05490	38.4
93.07053	49.2
94.07826	1.3
95.04972	5.2
96.26039	1.2
105.03391	1.8
105.04527	2.4
105.07044	18.7
107.08606	100.0
108.08955	1.8
109.06482	2.6
117.07018	1.5
119.06078	4.8
119.08614	11.7
120.09370	2.8
131.06975	1.4
135.04431	21.4
135.11703	43.7
136.02211	1.5
136.06163	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03942	3.4
55.05513	10.2
56.29865	1.4
57.07047	1.6
60.38961	1.1
65.03948	2.0
67.05489	2.6
69.07072	3.1
69.32927	1.2
69.85345	5.8
69.85736	2.4
77.03925	1.9
79.05499	17.1
81.07040	2.5
82.94225	1.2
87.58987	1.0
91.05487	35.9
91.11310	1.1
91.22102	1.2
93.07047	52.8
93.07647	2.6
93.51312	1.1
95.04967	3.4
95.08644	1.2
98.21454	1.2
105.04510	3.0
105.07037	17.7
107.08602	100.0
109.06508	3.8
117.07047	1.6
119.06060	4.3
119.08597	11.4
120.09364	3.7
133.10162	1.7
135.04411	8.5
135.11703	43.0
137.09709	1.2
137.14720	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.5
53.03959	5.5
55.05519	7.4
65.03936	1.8
65.45121	1.1
67.05539	1.6
69.07060	3.6
70.06207	3.7
70.06614	2.6
77.03923	2.6
79.05499	16.2
81.07071	3.1
88.77023	1.1
91.04916	2.0
91.05487	39.0
93.07051	55.9
94.07858	1.4
95.04958	4.6
95.08614	1.4
98.21419	1.8
105.04536	2.9
105.07043	19.3
107.08603	100.0
108.08946	1.5
109.06548	5.6
112.99538	1.1
117.07018	2.3
119.06052	3.3
119.08571	9.6
120.09373	2.8
135.04424	10.8
135.11702	45.1
147.09135	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
53.03950	7.2
55.01878	2.0
55.05520	9.5
65.03944	2.3
67.05509	3.4
69.03423	1.8
69.07068	3.6
69.92764	5.5
77.03929	2.3
79.05071	1.9
79.05503	30.7
80.25451	1.1
81.07047	3.4
89.03927	3.7
91.05491	38.5
93.07050	50.3
94.07846	1.3
95.04984	5.4
95.08613	1.3
105.04516	2.6
105.07051	16.7
107.04976	5.1
107.08606	100.0
109.06522	4.8
115.05468	3.5
117.07047	3.0
119.06091	4.2
119.08576	5.8
120.09332	2.5
135.04440	25.1
135.05470	2.4
135.08081	8.9
135.11714	30.2
136.02148	5.8
136.06189	9.8
136.07161	1.3
143.09663	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03947	8.1
55.01847	1.1
55.05518	12.3
65.03958	1.1
67.05508	2.8
69.07065	4.6
69.20679	3.1
69.21082	8.5
77.03932	2.4
77.47301	1.3
79.05502	26.6
81.07059	3.2
91.05492	40.1
93.07055	61.9
95.04980	5.5
98.21466	2.5
103.05475	2.8
105.03414	3.3
105.04533	3.3
105.07040	19.5
105.39008	1.3
107.04984	1.6
107.08609	100.0
109.06532	4.6
119.06065	4.4
119.08590	12.3
120.09370	4.6
133.10168	1.3
135.04436	33.4
135.10707	2.3
135.11711	43.9
136.02196	1.7
136.06230	3.0
143.67885	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02346	1.3
53.03946	4.1
55.05523	8.3
57.07075	1.8
65.03938	2.1
67.05490	2.4
69.07059	3.6
70.17004	3.1
79.05506	16.2
81.07060	2.7
89.78690	1.2
91.05488	34.8
93.07053	48.3
95.04987	3.0
105.04528	2.2
105.07040	18.1
105.42198	1.0
107.08606	100.0
108.08931	1.5
108.16036	1.3
109.06520	4.5
117.07035	1.3
119.06078	4.4
119.08598	8.2
120.09376	4.7
135.04457	7.7
135.05385	1.7
135.08038	1.8
135.11708	42.7
136.02170	3.5
136.06203	3.6
140.05957	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.3
55.01867	3.2
55.05513	9.8
65.03952	2.2
67.05519	6.0
69.07066	3.9
71.52567	1.5
76.52223	1.2
79.05502	28.5
81.03439	1.2
81.07065	5.3
91.05492	33.1
93.07053	58.8
95.04967	5.2
101.42059	1.1
103.70876	1.3
105.04538	2.5
105.07034	17.0
107.04955	3.6
107.08604	100.0
109.06506	3.9
115.05459	1.1
117.07047	1.7
119.03545	1.6
119.06093	4.6
119.08591	9.4
120.09399	2.9
129.74527	1.1
134.47504	1.2
135.04419	11.8
135.05550	3.7
135.08052	5.3
135.09039	1.6
135.11702	48.8
135.12730	2.7
136.02196	10.0
136.03941	1.2
136.06213	14.6
137.65012	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03953	7.3
55.05519	10.8
55.26108	1.4
65.63705	1.3
65.99196	1.3
67.05505	3.3
69.07069	5.4
69.16890	1.6
71.17180	3.2
77.03929	1.6
79.05507	18.7
81.07067	4.4
91.04900	2.1
91.05491	36.6
93.07056	70.8
95.04981	4.6
105.04545	1.9
105.07043	14.8
107.08606	100.0
108.08923	2.3
109.06516	2.4
117.06984	2.1
118.06586	1.6
119.06055	4.3
119.08585	10.4
120.09364	2.9
133.10165	1.8
134.06018	2.5
135.04398	3.1
135.06828	3.1
135.11710	36.3
147.43517	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.05515	10.6
57.07068	1.3
60.71886	1.0
62.39895	1.2
65.03944	1.4
67.05489	2.4
69.07063	2.1
70.85915	2.8
77.03929	2.0
77.14545	1.3
79.05499	16.3
81.07052	3.3
91.05489	37.2
93.07051	55.1
95.04975	4.1
103.05453	2.0
105.04549	1.9
105.07037	18.9
106.04212	1.3
107.04964	1.5
107.08604	100.0
108.08926	1.2
109.06525	3.3
119.06055	3.4
119.08592	10.2
120.09367	3.9
133.10159	1.6
135.04477	1.8
135.07098	2.1
135.11707	44.4
136.02118	1.1
136.06241	2.3
145.82739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03938	11.5
53.12357	2.8
55.05512	9.9
65.03920	3.9
67.05491	10.3
69.07059	6.6
71.52754	2.9
71.53124	4.1
73.46142	3.3
79.05496	39.6
91.05492	40.1
93.06568	4.7
93.07059	54.6
95.04984	9.4
96.78677	3.1
105.03443	4.0
105.04504	7.5
105.07011	16.2
107.04948	23.6
107.08607	100.0
109.06518	4.4
119.06038	4.6
119.08552	9.0
120.09287	4.7
124.05206	3.4
135.04407	51.3
135.05519	9.4
135.06499	6.6
135.08069	13.9
135.09088	5.2
135.11696	40.8
136.02167	59.4
136.05147	4.8
136.06180	45.1
136.07584	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.03868	1.1
53.03931	5.1
55.05526	8.0
63.24941	1.0
67.05513	1.5
69.07053	2.5
70.69300	3.3
77.03899	1.5
79.05502	15.3
79.53944	1.1
81.07056	2.5
84.86295	1.2
91.05485	38.5
93.07047	51.4
94.07817	1.6
95.04960	4.6
95.08640	1.2
105.04493	1.5
105.07027	18.0
107.04957	9.9
107.08600	100.0
108.08913	1.5
109.06501	6.0
113.46396	1.1
119.06055	4.9
119.08588	10.3
120.09361	3.3
120.96316	1.1
133.10156	1.3
135.04387	1.3
135.11697	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03946	4.5
53.30319	0.9
55.05519	8.1
57.07073	1.5
65.03941	1.5
67.05505	1.3
69.07070	2.5
70.63840	0.9
70.91062	1.6
70.91404	1.2
77.03927	1.5
78.52676	0.9
79.05504	13.1
81.03442	1.3
81.07054	3.1
91.05490	31.8
93.07054	54.8
95.04969	3.1
105.04532	2.4
105.07039	18.1
106.07899	1.2
107.08608	100.0
109.06521	4.3
109.96324	1.1
117.07016	1.5
119.06064	5.6
119.08598	9.9
120.09373	4.3
133.10187	1.4
135.04405	2.4
135.11707	45.5
136.02165	1.1
143.64523	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
53.03949	5.0
55.01886	0.8
55.05508	1.5
63.02377	1.8
67.05495	1.3
69.63770	3.6
69.64170	1.9
77.03931	1.8
79.05498	30.7
81.03405	0.9
81.07076	1.0
83.70255	0.8
89.03923	52.8
90.04221	1.1
91.05486	8.1
93.07039	11.4
95.04966	5.1
103.05468	0.8
105.04498	2.1
105.07041	6.1
107.04961	21.9
107.08591	13.5
115.05453	1.1
117.03384	27.4
117.07027	0.9
119.06058	0.7
119.08600	1.5
133.02884	1.5
135.04425	100.0
135.08049	8.6
135.11710	5.2
136.02190	4.3
136.04782	1.6
136.06175	5.2
145.03920	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.69457	0.8
53.03953	5.7
54.23413	0.8
54.43195	0.7
55.01870	1.4
60.22764	0.9
60.71870	0.9
63.02385	3.3
67.05489	1.4
77.03933	1.1
79.05499	23.1
81.03384	0.7
89.03927	82.0
91.05477	4.3
93.07048	7.5
95.04977	3.6
103.05489	1.5
104.92895	0.8
105.04494	1.4
105.07051	7.7
107.04967	21.2
107.08604	8.5
115.05474	1.1
117.03391	36.2
117.07008	1.1
135.04431	100.0
135.08052	9.8
135.11679	2.3
136.02162	5.2
136.04666	1.3
136.06194	5.2
136.07657	1.3
145.04001	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.57297	0.8
53.03938	4.1
55.01877	10.0
55.05517	6.3
61.18416	0.9
63.34255	0.8
63.72132	0.8
64.27794	0.9
65.03963	4.4
66.28626	0.9
67.05497	4.1
68.87289	1.0
69.03438	9.2
69.07066	1.6
70.78105	2.3
78.44707	1.1
78.45151	1.1
79.05501	39.4
81.07064	2.0
91.05489	76.2
93.07050	41.1
95.04985	7.1
105.04500	1.9
105.07040	32.7
107.04967	5.4
107.08603	100.0
108.08936	1.4
109.06524	9.2
115.05462	16.9
117.07027	17.1
119.06089	8.4
119.08577	7.1
120.05759	1.1
120.09364	3.0
122.46029	1.0
135.04486	7.4
135.05487	1.8
135.06552	1.7
135.08069	42.7
135.11697	25.2
136.02167	6.5
136.03876	1.1
136.06183	11.2
136.07306	1.1
136.07567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01600	0.7
51.02382	3.5
53.03951	9.2
55.01867	1.1
55.05515	3.5
65.03929	1.2
67.05496	2.2
67.05821	0.6
69.07066	0.8
71.53443	0.6
71.53851	0.8
77.03936	6.8
79.05503	24.6
81.07064	1.6
91.05494	15.7
93.07052	21.8
95.04984	8.1
98.52470	0.6
103.05482	1.4
105.03407	9.8
105.04517	3.0
105.07047	8.0
107.04960	3.4
107.08606	41.9
109.06527	1.7
115.05429	0.7
117.07032	0.9
119.06089	1.3
119.08601	4.2
120.09369	1.4
125.96316	0.6
135.04433	100.0
135.08076	3.9
135.11702	17.4
136.02176	3.8
136.04782	1.5
136.06210	3.2
148.16801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01587	0.5
51.02381	2.2
53.03952	8.0
55.01872	0.5
56.09011	0.2
63.49828	0.2
65.03926	0.5
67.05497	0.8
70.08997	0.7
77.03934	7.9
79.05499	17.7
81.03427	0.9
91.05487	1.1
93.07053	1.4
95.04373	0.4
95.04975	6.6
98.46943	0.2
105.03405	11.5
105.04500	4.3
105.07026	0.5
107.04956	0.9
107.08614	2.3
118.06528	0.5
135.04428	100.0
135.11668	1.1
136.02203	0.5
136.04712	1.3
136.06181	1.1
145.71208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01597	0.8
51.02385	2.5
53.03952	9.6
55.01871	0.8
55.05511	0.7
59.37935	0.4
65.03954	0.7
67.05505	1.4
69.07079	0.6
70.07949	0.4
70.70955	1.3
77.03941	6.7
79.05502	22.2
81.03403	1.0
91.05498	4.2
93.07053	6.9
95.04980	6.4
96.97274	0.4
105.03407	11.4
105.04492	4.1
105.07031	1.7
105.76494	0.4
107.04968	1.6
107.08613	10.7
109.06503	0.8
117.07038	0.6
118.06585	0.8
119.06013	0.5
119.08572	1.0
122.98625	0.4
135.04430	100.0
135.11696	4.8
136.02147	2.1
136.04779	1.2
136.06203	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	135.0443
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01591	0.5
51.02393	2.3
53.03719	0.6
53.03953	10.0
55.01865	0.7
55.05501	1.2
57.41202	0.4
58.37339	0.4
59.63596	0.4
64.63953	0.4
65.03944	0.8
66.19313	0.4
67.05490	1.0
71.52254	0.4
73.50480	0.4
75.50430	0.4
77.03934	7.7
79.05499	19.8
81.03410	1.1
81.07065	0.6
88.44749	0.4
91.05493	5.0
93.07059	8.2
95.04982	7.4
105.03407	10.9
105.04481	3.6
105.07049	2.2
107.04961	2.9
107.08606	13.2
109.06509	0.9
116.59078	0.5
117.07083	0.5
119.08603	1.5
135.04428	100.0
135.08044	1.4
135.11699	5.1
136.02144	3.4
136.03874	0.6
136.04800	1.5
136.06204	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	135.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.5
51.02378	1.9
53.03955	7.6
53.26254	0.4
55.01872	0.6
55.05498	0.8
65.03949	1.0
65.79525	0.5
67.05495	1.6
70.74767	0.9
77.03934	6.2
79.05502	16.5
81.03441	1.1
81.07077	0.6
91.05499	3.1
93.07067	4.8
95.04984	7.9
105.03407	8.9
105.04491	4.2
105.07037	1.1
107.04946	1.2
107.08607	8.4
118.06530	0.5
119.08611	0.7
128.42119	0.5
129.65834	0.4
135.04430	100.0
135.11736	3.3
136.02151	2.0
136.04764	1.3
136.06186	1.9
154.20195	0.4
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
53.03936	6.1
60.38544	1.6
62.06702	1.7
65.03942	3.5
70.68552	4.1
77.03928	2.5
78.04713	4.4
79.05074	2.7
79.05502	33.3
80.31914	1.7
83.25967	1.6
89.03927	3.0
91.05484	49.1
95.04967	6.6
105.03392	5.3
105.04515	4.3
106.06570	62.6
106.07350	4.5
107.04950	2.4
107.06974	1.9
107.08553	2.6
116.04214	3.5
116.04995	49.5
116.05825	3.0
119.06069	3.0
132.04466	3.7
133.39513	1.9
134.06027	100.0
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	Indolin-2-one
Peak:m/z	Relative Intensity
53.03941	10.8
65.03930	2.8
66.15800	2.3
70.06576	3.0
71.48673	3.8
71.80135	2.3
74.02441	11.8
78.04695	4.5
78.67127	2.7
79.05501	31.7
88.03990	4.9
88.07631	4.1
89.03968	3.6
91.05489	52.3
92.40754	2.6
93.07053	10.2
95.04968	10.0
105.03404	7.7
105.04516	3.4
105.07034	5.3
106.06560	53.6
106.07362	14.1
107.04975	6.7
107.08599	23.3
113.87690	2.9
116.04984	25.7
123.07988	3.5
132.04454	3.3
134.03677	3.3
134.06029	100.0
134.06978	8.8
134.09650	5.2
134.10545	4.4
135.04454	16.0
135.11679	6.1
145.69032	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	134.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01740	2.8
55.01871	4.1
56.96571	27.1
57.03442	27.6
59.04994	4.6
59.72625	3.0
61.02924	8.8
65.52151	2.9
69.03426	5.9
69.07065	3.2
69.49841	18.0
70.02959	9.8
72.52972	4.1
73.02919	11.7
74.02454	100.0
74.93167	24.8
78.52957	5.5
82.01445	13.2
82.99877	3.8
83.04964	6.3
84.52941	6.4
84.96056	4.2
85.02905	9.3
85.51937	3.0
86.52702	27.2
87.53419	3.3
88.02685	12.2
88.04002	47.2
88.51588	10.3
92.52697	4.0
93.01893	5.2
93.53494	5.3
95.53216	12.3
97.01430	3.5
98.97580	12.1
100.02488	26.6
101.00885	31.3
102.00966	5.8
102.02397	6.6
103.05267	3.2
111.02952	8.5
113.00862	9.6
115.02441	9.3
116.03528	3.6
116.98540	2.9
118.03518	5.2
119.01939	34.7
120.01978	7.6
121.01666	6.4
122.53690	8.8
124.02451	14.7
128.01862	3.6
131.01904	20.4
133.03496	5.6
134.88968	3.1
142.03510	33.6
143.01871	14.6
143.03598	6.3
153.35345	3.5
154.03499	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01851	1.1
55.05511	4.5
61.83801	0.5
67.05502	1.7
69.94968	2.6
70.06569	1.2
70.36191	0.5
71.04990	0.9
77.03921	0.5
77.80914	0.5
79.05492	6.9
81.04492	0.5
88.02232	0.6
91.05486	29.3
93.07032	1.6
95.04912	0.7
99.89722	0.5
103.05476	4.6
105.07034	100.0
106.07327	1.3
115.05456	3.2
117.07010	0.9
117.56926	0.6
118.07796	1.0
123.07917	1.0
131.08572	4.6
133.06500	36.3
133.10130	41.6
134.06903	0.7
134.10539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0453
Annotation	Aspartate
Peak:m/z	Relative Intensity
54.01740	2.8
55.01871	4.1
56.96571	27.1
57.03442	27.6
59.04994	4.6
59.72625	3.0
61.02924	8.8
65.52151	2.9
69.03426	5.9
69.07065	3.2
69.49841	18.0
70.02959	9.8
72.52972	4.1
73.02919	11.7
74.02454	100.0
74.93167	24.8
78.52957	5.5
82.01445	13.2
82.99877	3.8
83.04964	6.3
84.52941	6.4
84.96056	4.2
85.02905	9.3
85.51937	3.0
86.52702	27.2
87.53419	3.3
88.02685	12.2
88.04002	47.2
88.51588	10.3
92.52697	4.0
93.01893	5.2
93.53494	5.3
95.53216	12.3
97.01430	3.5
98.97580	12.1
100.02488	26.6
101.00885	31.3
102.00966	5.8
102.02397	6.6
103.05267	3.2
111.02952	8.5
113.00862	9.6
115.02441	9.3
116.03528	3.6
116.98540	2.9
118.03518	5.2
119.01939	34.7
120.01978	7.6
121.01666	6.4
122.53690	8.8
124.02451	14.7
128.01862	3.6
131.01904	20.4
133.03496	5.6
134.88968	3.1
142.03510	33.6
143.01871	14.6
143.03598	6.3
153.35345	3.5
154.03499	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	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.91101	0.3
53.03948	1.7
56.96551	0.4
57.14597	0.3
67.35944	0.3
68.94320	0.3
69.03444	0.5
70.06602	1.8
71.04996	0.8
71.53699	0.5
74.02454	2.4
77.03918	0.6
78.53509	0.3
79.05495	3.7
81.04540	0.4
82.05319	0.4
84.41768	0.3
85.08487	0.8
86.09723	0.4
87.05615	0.9
87.10040	0.6
88.02197	0.8
88.03990	0.4
89.00296	0.3
91.05488	4.8
93.07053	8.0
95.04991	0.6
97.02940	0.4
101.65112	0.4
103.05469	2.4
104.31801	0.3
105.07038	100.0
106.06662	0.4
106.07369	1.5
112.02193	1.4
113.02974	1.0
115.05466	1.2
116.07086	0.5
117.07014	1.0
118.04160	0.5
118.07814	0.5
123.07966	2.4
131.08569	1.1
133.02899	0.7
133.06494	8.5
133.07596	1.7
133.10141	27.1
134.06102	0.5
134.07153	0.3
138.75748	0.3
144.04773	0.6
145.58360	0.3
145.94418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03954	3.1
55.05514	1.9
55.07203	0.5
55.68829	0.5
59.56861	0.6
65.03931	0.8
65.20753	0.6
67.05512	0.8
69.03440	0.9
69.17885	3.4
69.18307	1.5
70.02970	0.6
70.06603	1.5
71.05032	0.5
74.02448	8.4
76.48428	0.5
77.03928	0.9
79.05494	9.2
79.37402	0.4
81.04517	0.6
87.05595	2.1
87.10056	0.7
88.02219	0.9
88.03970	0.6
91.05491	21.3
93.07052	7.5
95.04967	1.6
103.05479	4.7
105.03403	1.4
105.07041	100.0
106.06586	4.7
106.07339	1.0
107.08596	0.6
112.02193	1.1
113.02995	0.7
115.05472	3.8
116.03467	0.7
116.04980	2.6
116.07151	0.5
117.07053	4.0
118.04170	1.1
118.07793	4.0
123.07938	2.3
131.08578	8.8
131.54311	0.6
133.02908	1.2
133.06552	14.5
133.07579	1.6
133.10144	60.4
134.06023	7.7
134.06989	0.8
134.10471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50627	0.3
51.76105	0.3
53.03947	1.4
53.30430	0.3
55.05518	0.6
70.02952	0.4
70.06607	0.5
71.07571	0.8
74.02451	2.8
75.93417	0.3
77.03928	0.5
79.05505	4.1
87.05598	1.2
88.02200	0.4
88.03990	0.4
91.04977	0.6
91.05491	7.1
93.07052	9.4
94.07401	0.3
95.04986	1.0
103.05463	2.4
103.90731	0.3
105.07040	100.0
106.07376	1.4
112.02222	0.6
113.03021	0.4
115.05468	1.4
116.03472	0.3
116.83761	0.3
117.07018	2.1
118.07803	1.9
123.07973	1.0
126.31049	0.3
131.08588	2.5
133.06529	7.2
133.10141	39.2
134.06020	0.4
134.10435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36974	0.5
53.03957	4.0
55.01869	1.3
55.05509	2.6
59.52003	0.5
60.14020	0.4
65.03919	0.5
67.05518	0.8
69.03442	0.8
70.06604	0.9
70.82237	0.8
70.82581	1.0
71.04979	1.2
74.02448	0.8
77.03928	0.8
77.35483	0.4
79.05501	11.5
85.08475	0.6
87.05589	0.6
88.02231	0.9
91.05488	21.0
93.07048	4.6
95.04967	1.7
95.08609	0.6
103.05479	6.2
105.07040	90.0
106.07355	1.1
107.08582	0.6
112.02193	0.8
113.02976	0.8
115.05458	4.8
116.06265	0.7
117.07030	5.3
118.04153	0.6
118.07818	6.1
123.07945	1.2
129.06961	0.5
131.08574	8.9
133.06511	48.9
133.07426	1.8
133.10139	100.0
134.06842	0.9
134.10468	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
52.81284	0.4
53.03932	0.5
55.01875	1.1
55.05514	5.6
63.56538	0.3
65.03919	0.5
67.05489	1.7
71.52503	0.5
71.52877	0.4
77.03935	0.5
79.05492	5.8
91.05489	30.6
92.05825	1.0
93.07073	2.0
95.04980	0.9
103.05467	3.2
104.06242	0.5
105.07038	100.0
106.07377	0.9
115.05477	1.7
117.07056	1.0
118.07822	1.5
131.08572	5.1
132.58961	0.4
133.06508	26.8
133.08530	1.2
133.10141	45.1
134.06895	0.4
134.10495	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03954	1.5
55.01873	1.1
55.05519	5.0
67.05507	1.9
70.06593	1.1
71.52796	0.5
74.02457	1.0
76.19334	0.4
79.05495	5.0
87.05618	0.8
91.05491	32.1
92.05814	1.1
93.07051	1.8
95.04974	0.7
95.85778	0.4
103.05480	3.0
105.07041	100.0
106.07390	1.2
112.02221	0.5
115.05470	1.7
116.07149	0.4
117.07005	1.2
118.07804	1.4
129.06996	0.5
131.04903	0.5
131.08594	5.8
133.05496	0.5
133.06522	14.3
133.07561	1.0
133.10143	49.4
134.10510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
54.65527	0.4
55.01863	1.5
55.05515	4.4
59.28473	0.4
61.60046	0.3
65.03942	0.7
66.91281	0.4
67.05495	1.7
69.84068	0.9
69.84481	1.2
70.06590	1.3
74.02431	0.6
75.85445	0.4
79.05501	6.5
91.05490	27.8
92.05814	1.6
93.07039	1.8
95.04992	0.7
103.05479	4.1
105.07040	100.0
106.07378	1.8
107.04939	0.5
115.05479	2.6
117.07021	1.1
118.07807	0.8
131.08569	5.0
133.06514	34.9
133.08487	1.4
133.10144	37.6
134.05986	0.5
134.06918	0.5
134.10513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02376	0.5
53.03951	3.1
55.01874	1.0
55.05522	3.0
58.19614	0.4
65.03946	0.4
66.24932	0.4
67.05511	0.8
69.03428	0.7
69.60197	1.6
69.60609	0.6
70.02937	0.5
70.04196	0.4
70.06587	1.4
71.04994	1.3
74.02454	8.5
77.03934	0.7
79.05502	6.8
81.04546	0.5
85.08501	0.5
87.05609	2.6
87.10027	0.5
88.02238	0.5
88.03999	1.8
91.05491	23.8
93.07055	4.4
95.04973	1.0
97.02897	0.6
102.76111	0.5
103.05477	4.0
105.07043	100.0
106.07400	1.3
107.08631	0.7
112.02222	0.8
115.05472	3.7
116.03472	1.0
117.07026	3.6
118.04176	1.2
118.07816	3.3
123.07936	1.4
131.08585	8.2
133.02933	0.7
133.06522	21.6
133.10147	61.3
134.05948	0.8
134.10548	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
52.40171	0.4
53.03950	4.9
55.01874	1.7
55.05517	2.2
65.03944	0.8
67.05506	0.5
69.03434	0.5
69.55142	2.4
70.06593	1.0
70.40676	0.4
71.04987	1.5
72.08162	0.7
74.02442	1.6
76.99798	0.4
77.03920	1.4
79.05497	18.0
84.87403	0.4
87.05606	0.5
87.10049	0.6
88.02238	0.6
91.05489	13.3
93.07045	3.1
95.04976	3.5
97.02905	0.6
103.05473	9.8
105.04532	1.7
105.07039	86.7
106.07380	1.1
107.08631	0.6
112.02225	0.8
115.05461	3.8
116.06197	0.6
117.07018	3.3
118.04165	0.9
118.07867	3.1
123.07948	1.6
131.08560	4.0
133.06505	100.0
133.10136	53.0
134.06848	1.3
134.10492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91101	0.3
53.03948	1.7
56.96551	0.4
57.14597	0.3
67.35944	0.3
68.94320	0.3
69.03444	0.5
70.06602	1.8
71.04996	0.8
71.53699	0.5
74.02454	2.4
77.03918	0.6
78.53509	0.3
79.05495	3.7
81.04540	0.4
82.05319	0.4
84.41768	0.3
85.08487	0.8
86.09723	0.4
87.05615	0.9
87.10040	0.6
88.02197	0.8
88.03990	0.4
89.00296	0.3
91.05488	4.8
93.07053	8.0
95.04991	0.6
97.02940	0.4
101.65112	0.4
103.05469	2.4
104.31801	0.3
105.07038	100.0
106.06662	0.4
106.07369	1.5
112.02193	1.4
113.02974	1.0
115.05466	1.2
116.07086	0.5
117.07014	1.0
118.04160	0.5
118.07814	0.5
123.07966	2.4
131.08569	1.1
133.02899	0.7
133.06494	8.5
133.07596	1.7
133.10141	27.1
134.06102	0.5
134.07153	0.3
138.75748	0.3
144.04773	0.6
145.58360	0.3
145.94418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0651
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.39315	0.2
51.02377	0.3
53.03962	1.4
55.01882	2.6
71.31770	0.5
77.03935	0.6
79.05502	10.9
91.05491	1.5
95.04969	1.1
103.05486	8.4
105.07047	78.7
106.07377	1.1
106.08026	0.3
107.03556	0.2
107.04956	0.9
107.68525	0.3
115.05474	3.9
118.04188	0.5
131.04944	1.7
133.06511	100.0
134.06842	1.3
143.06065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03952	3.5
55.01875	2.6
55.05505	1.6
66.04716	0.6
67.05517	0.9
69.03436	1.3
70.06585	0.8
71.04990	1.8
71.51348	0.5
71.51743	0.5
72.08147	0.7
74.02440	1.6
77.03896	0.5
79.05503	12.1
79.21146	0.4
81.21488	0.4
85.02934	0.5
87.04474	0.6
87.10043	0.9
88.02218	0.7
90.04707	2.0
91.04972	0.9
91.05493	10.2
93.07049	1.3
95.04992	1.7
97.02904	0.6
103.05486	9.8
105.03381	0.8
105.07037	93.2
106.06602	0.6
106.07383	1.5
107.04955	1.0
112.02200	0.9
115.05459	5.2
117.07021	1.0
118.04166	11.3
118.07822	1.6
123.07935	1.4
131.04959	1.5
131.08585	2.5
133.06505	100.0
133.10136	20.6
134.05989	1.0
134.06908	0.9
143.50415	0.4
144.04808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.7
53.03945	3.6
55.01875	2.6
55.05507	2.1
65.03931	0.9
66.04726	0.9
67.05499	1.3
70.06602	1.5
70.90689	0.7
70.91014	1.0
71.04991	2.0
74.02443	8.1
77.03896	0.7
79.05495	11.2
87.05568	3.1
90.04712	1.1
91.05486	16.0
93.07050	2.6
95.04967	1.1
97.02950	0.7
103.05472	10.2
105.07038	100.0
106.07361	1.0
107.08688	0.7
112.02229	0.8
115.05470	4.2
116.03437	1.0
117.07024	2.3
118.04187	8.8
118.07843	2.0
123.07916	1.9
131.04979	0.7
131.08551	4.7
132.67671	0.6
133.06503	80.9
133.10135	33.1
134.05978	0.7
134.06900	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03955	9.6
55.01870	2.9
55.05518	2.2
64.29188	1.0
65.03947	1.2
69.03434	1.2
70.06586	3.9
71.04994	2.9
72.08134	0.9
73.02901	1.1
74.02434	2.1
74.14887	1.1
77.03950	2.6
78.35722	1.0
79.05501	59.7
79.70424	1.1
85.08486	1.5
87.10046	2.7
88.02214	1.8
91.05488	12.7
93.07059	2.5
95.04999	6.8
103.05473	36.1
105.03397	3.4
105.04559	2.5
105.07041	100.0
106.07368	1.4
112.02216	2.7
113.03034	1.2
115.05469	4.0
116.07126	1.3
117.07030	2.1
118.04130	1.2
118.07815	2.3
123.08054	27.2
129.84938	0.9
130.82852	0.9
131.08604	2.6
133.02875	2.7
133.06506	96.9
133.07617	30.9
133.10147	34.0
134.05992	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.5
55.01875	2.6
55.05505	1.6
66.04716	0.6
67.05517	0.9
69.03436	1.3
70.06585	0.8
71.04990	1.8
71.51348	0.5
71.51743	0.5
72.08147	0.7
74.02440	1.6
77.03896	0.5
79.05503	12.1
79.21146	0.4
81.21488	0.4
85.02934	0.5
87.04474	0.6
87.10043	0.9
88.02218	0.7
90.04707	2.0
91.04972	0.9
91.05493	10.2
93.07049	1.3
95.04992	1.7
97.02904	0.6
103.05486	9.8
105.03381	0.8
105.07037	93.2
106.06602	0.6
106.07383	1.5
107.04955	1.0
112.02200	0.9
115.05459	5.2
117.07021	1.0
118.04166	11.3
118.07822	1.6
123.07935	1.4
131.04959	1.5
131.08585	2.5
133.06505	100.0
133.10136	20.6
134.05989	1.0
134.06908	0.9
143.50415	0.4
144.04808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0651
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03942	1.3
55.01871	2.3
61.93789	0.5
66.04726	1.5
70.06554	0.6
74.02437	1.2
77.03932	0.7
79.05503	10.5
84.05145	0.6
87.05621	0.6
88.02210	1.6
90.04704	2.3
91.05482	2.9
95.04993	1.2
103.05481	10.2
105.07047	68.0
106.07370	0.7
113.02984	0.8
115.05505	4.6
118.03396	0.9
118.04185	13.9
131.04936	1.1
131.08575	0.7
133.06517	100.0
133.10075	3.6
134.06943	1.2
143.06068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03944	2.8
55.01880	3.3
55.05507	0.9
62.74587	0.3
70.06583	1.6
71.04981	0.7
71.51830	0.9
71.59028	0.4
74.02444	0.9
79.05497	12.1
81.04564	0.6
85.08466	0.4
87.10011	0.5
88.02219	1.1
89.00304	0.4
91.05487	9.7
93.07057	0.6
95.04973	1.5
103.05481	7.8
104.06260	0.8
105.07038	99.6
106.07357	1.1
107.04926	0.6
112.02170	0.5
113.02991	0.5
115.05456	5.4
116.07103	0.5
117.07008	0.5
118.07809	0.8
123.07933	1.2
131.04962	1.3
131.08575	1.8
133.06506	100.0
133.10118	10.6
134.06873	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03947	2.6
55.01879	3.2
56.40760	0.5
62.25934	0.5
70.06589	1.2
71.51898	0.5
74.02460	0.5
77.03931	0.5
79.05499	14.6
85.08498	0.6
87.10069	0.5
91.05492	4.4
92.81918	0.4
95.04975	1.3
103.05468	9.2
104.94817	0.5
105.07037	93.3
106.07364	1.4
107.04954	1.8
112.02182	0.8
115.05475	5.3
131.04938	1.8
132.05765	0.6
133.06503	100.0
133.10088	3.6
134.06891	1.5
146.56955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
55.01871	2.1
66.04720	1.2
69.51772	5.5
74.52830	0.8
77.03986	0.8
79.05499	9.7
89.37790	0.9
90.04714	2.4
91.05499	1.4
95.04953	1.9
98.20686	0.9
103.05476	8.7
105.07041	66.4
115.05481	3.2
115.73461	0.9
118.04176	12.3
122.01945	0.8
131.04950	1.5
133.06505	100.0
133.10156	1.6
134.06793	1.2
138.76831	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03946	1.3
55.01881	3.2
60.83151	0.3
69.52934	0.3
70.96047	0.9
77.03951	0.8
79.05502	10.9
91.05487	1.2
95.04977	1.7
103.05470	7.9
105.07040	79.4
106.07380	1.0
107.04945	0.9
115.05470	3.2
127.89307	0.3
131.04959	1.8
133.06503	100.0
134.06801	1.7
143.06075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01874	3.4
70.06592	1.3
70.31118	1.7
74.02458	1.0
79.05500	10.7
80.04963	0.4
91.05482	3.2
95.04984	1.1
103.05474	7.3
105.07039	88.4
106.07359	1.1
107.04974	0.8
108.69151	0.3
111.26102	0.4
115.05458	3.9
123.07925	0.5
131.04932	1.1
131.08598	0.5
133.06502	100.0
133.10120	3.5
134.06831	1.4
138.10611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
52.92881	0.4
53.03950	1.2
55.01880	2.7
62.52390	0.4
69.46548	3.1
77.03921	0.6
79.05070	0.7
79.05501	9.9
83.92352	0.4
91.05492	1.8
95.04984	1.6
98.21148	1.6
99.43668	0.4
103.05476	7.0
105.07040	80.7
106.07379	1.2
107.04977	0.9
115.05466	3.6
131.04947	1.3
133.06505	100.0
134.06862	1.2
143.06052	0.6
152.45071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
69.07069	1.9
70.81024	0.8
86.09712	100.0
87.10045	1.1
97.20236	0.4
114.13703	0.4
132.10234	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.061
Annotation	L-Asparagine
Peak:m/z	Relative Intensity
53.03951	1.0
54.05471	0.6
55.01872	1.0
56.05496	0.7
58.99608	0.7
60.04527	0.9
61.01165	3.7
70.02958	6.2
70.06600	17.2
71.26163	1.1
74.02450	100.0
83.40044	0.7
85.08485	2.5
87.02713	4.3
87.05602	41.0
87.10057	0.8
88.04002	12.3
94.63816	0.7
98.02431	1.4
99.00823	1.4
105.07028	0.9
116.03462	12.7
116.07093	4.2
133.03201	1.4
133.06090	6.2
140.65237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.061
Annotation	[(ammonioacetyl)amino]acetate
Peak:m/z	Relative Intensity
50.10495	0.6
53.03945	1.0
55.04235	0.8
56.96568	4.2
58.08180	0.6
60.04511	1.2
63.69921	0.6
69.03431	1.7
70.02958	6.6
70.06592	6.5
70.95169	1.3
71.04995	2.2
74.02448	100.0
74.41693	0.7
79.05492	1.3
81.04565	2.0
81.68468	0.6
82.05309	0.9
85.08473	1.5
86.09708	1.1
87.05600	39.9
87.10042	3.5
88.04000	12.1
90.28692	0.7
91.05533	0.8
96.01589	0.7
98.06077	1.5
98.21222	0.9
99.00832	1.2
103.05465	0.7
105.07041	3.7
106.06589	1.3
109.52106	1.5
111.46063	0.6
112.02201	5.0
113.03011	1.9
116.03461	11.0
116.04257	0.6
116.07135	1.7
118.52623	0.7
123.07947	7.6
133.05156	1.3
133.06201	7.9
133.08482	1.4
133.10269	0.9
134.06052	3.5
144.04808	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30892	0.2
67.17770	0.2
70.06599	1.8
70.10490	1.0
78.37260	0.2
82.06589	1.1
84.04505	1.6
84.08151	100.0
85.08485	0.9
98.21426	0.2
104.35424	0.2
112.07618	0.4
112.08771	0.3
130.08653	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.02780	0.3
53.03951	3.0
58.53285	0.2
71.17100	0.4
72.58280	0.2
76.92390	0.2
77.03936	1.3
85.08479	1.2
95.04980	3.1
101.80592	0.3
102.04697	0.7
103.05475	100.0
104.05814	1.4
105.04511	1.4
131.04936	15.5
132.05278	0.3
133.77664	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0865
Annotation	DL-Pipecolinic acid
Peak:m/z	Relative Intensity
52.55807	0.2
52.84477	0.2
60.05658	0.3
60.22574	0.2
70.06596	5.3
71.05013	0.6
71.16812	0.5
73.24612	0.2
77.25423	0.2
82.06573	1.5
84.08150	100.0
85.08466	1.2
89.39275	0.2
112.08751	0.7
130.08652	23.2
131.08994	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01875	1.3
55.05274	1.0
55.05518	14.9
56.05043	3.3
58.06604	0.6
67.05507	0.7
68.05032	1.7
69.03455	2.6
69.05812	1.5
69.16140	0.5
69.50562	2.6
69.50976	0.7
70.06602	4.8
71.04982	1.5
79.05502	5.5
80.05028	3.1
81.03427	2.1
81.07070	18.1
82.06571	2.5
83.07371	3.0
83.07784	0.4
83.08629	8.0
84.04500	1.9
84.08150	2.0
87.82838	0.5
91.05490	1.5
93.05800	1.8
96.04501	2.0
97.05282	10.6
98.06075	9.7
98.09117	0.7
98.09715	9.0
99.04477	0.8
108.04501	4.1
108.08134	11.9
109.02887	3.1
109.06533	22.4
109.07697	1.2
111.06834	1.1
111.53642	1.4
126.05558	6.1
126.09171	100.0
127.03937	9.6
127.09518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0712
Annotation	Methylimidazole acetaldehyde
Peak:m/z	Relative Intensity
53.03953	0.3
54.03469	0.4
55.01874	0.4
55.05502	0.4
56.05036	0.6
56.96561	0.5
65.03938	0.4
65.11980	0.2
66.03117	0.3
66.03469	5.9
67.05518	0.2
68.05032	0.9
69.03423	0.5
70.06582	0.4
70.21686	0.6
70.22073	0.5
71.01362	0.3
71.06101	0.2
79.05485	1.1
80.05021	3.5
81.04538	0.4
81.05808	0.2
81.07079	0.3
81.50797	0.5
82.05325	1.5
82.06590	1.8
83.06091	0.4
84.41115	0.2
90.51303	0.3
95.05131	0.2
95.06091	10.2
96.06874	32.0
97.02894	3.2
97.06548	0.4
97.07648	0.9
102.53132	1.1
107.04957	0.7
107.06113	1.5
108.04484	0.4
108.06835	0.4
110.03667	0.4
110.04799	0.4
111.53651	2.1
112.07590	0.2
120.02025	0.4
123.22225	0.2
124.06339	0.3
125.02412	1.2
125.07114	100.0
126.05495	0.3
126.07430	1.1
126.09142	0.3
141.03906	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05267	1.3
55.05518	18.4
55.68774	0.9
57.07080	5.6
57.60219	0.8
67.05507	1.6
69.05812	2.1
69.07076	100.0
69.20744	8.6
70.07416	0.8
82.06588	10.8
83.06121	5.5
83.07343	2.6
83.08626	18.4
84.04488	1.2
84.08179	1.9
97.07696	1.0
108.04479	3.0
125.04336	1.7
125.06155	0.9
125.07272	5.0
125.08250	6.8
125.09063	18.3
125.10755	8.4
125.11568	1.3
126.05515	2.2
126.09145	10.3
126.10255	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	124.076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56017	0.8
53.03954	4.5
55.01861	1.1
55.05515	6.8
56.05037	1.0
57.60128	0.8
67.05493	1.0
68.05038	4.6
69.07067	1.7
71.06129	2.2
78.03451	2.5
79.05500	41.9
80.05026	15.7
81.04547	1.6
81.05805	51.9
81.07058	15.8
82.02955	0.9
82.05316	1.3
82.06585	4.9
82.07363	1.5
83.04992	1.6
85.39887	0.8
94.06571	7.7
95.04973	2.1
95.06097	2.7
96.04506	18.2
96.05305	2.5
96.08139	79.0
97.02897	3.0
101.00891	5.5
101.02608	2.6
106.06567	25.7
107.04938	1.8
110.68713	0.9
112.03972	10.2
119.01270	0.6
119.01936	19.3
124.03968	74.4
124.05920	4.9
124.07602	100.0
124.11217	4.2
125.05949	1.4
137.02979	3.9
139.29829	0.9
140.03395	4.9
142.03539	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	124.076
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
53.03956	6.1
55.05520	6.4
65.03934	0.9
68.05025	4.6
69.07056	1.6
70.79283	1.6
70.79639	1.5
78.03453	1.4
79.05504	41.8
80.05021	12.6
81.05806	54.4
81.07069	17.1
81.26355	0.7
82.02943	1.7
82.06557	3.7
82.07360	0.9
94.06574	7.4
95.04974	2.4
96.04500	8.5
96.05312	1.6
96.08140	88.2
97.02886	1.0
101.00896	3.0
105.04531	1.8
106.06566	26.4
107.04972	1.3
109.05293	1.0
112.03996	4.0
117.21004	0.7
117.26392	0.9
119.01939	7.2
124.03972	30.4
124.07605	100.0
124.11244	1.2
125.07886	1.2
137.02963	1.1
140.03432	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	125.06
Annotation	Orcinol
Peak:m/z	Relative Intensity
53.03947	2.5
55.01867	0.8
55.05520	0.7
57.01986	0.3
67.04253	0.3
67.05526	0.4
68.99802	0.4
69.03436	0.5
69.07078	0.8
69.91994	0.3
70.21798	1.3
77.03930	0.9
79.05502	22.5
80.05025	0.3
81.03424	0.5
81.07059	0.5
82.06600	1.9
83.04988	0.5
84.08163	0.4
95.04979	1.8
96.06892	0.3
97.02908	3.4
97.04897	0.3
97.06543	3.4
100.99521	0.3
105.04522	1.4
107.04969	43.6
107.08617	0.6
108.04498	0.7
108.05251	0.6
110.03675	30.6
111.03970	0.4
123.04425	1.7
124.27427	0.3
125.02432	1.6
125.06008	100.0
125.09648	1.2
126.05510	0.5
126.06360	0.9
126.09171	0.8
135.05560	0.7
136.12022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.3
56.96557	0.7
69.52461	1.1
69.52880	0.9
72.08147	0.5
78.04708	0.4
78.06346	0.8
80.05017	0.3
81.00885	0.3
82.01460	1.0
82.99851	6.5
83.01503	2.0
84.08151	1.1
96.04523	0.9
100.02502	1.2
101.00893	51.4
101.02578	4.3
102.00982	0.7
102.02250	0.7
110.01279	0.4
111.00449	0.4
112.04009	0.3
117.10313	0.4
118.03498	0.4
119.01935	100.0
120.01984	1.6
124.02458	1.2
124.03962	3.7
124.04800	1.2
124.07604	0.7
124.08570	0.3
137.02971	16.8
139.27721	0.3
141.81863	0.3
142.03523	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	123.1172
Annotation	Santene
Peak:m/z	Relative Intensity
52.41874	0.5
53.03953	2.2
55.01872	0.7
55.05514	4.2
57.07077	5.3
57.54130	0.6
65.03962	0.8
67.05511	15.9
69.07069	2.1
69.27385	5.0
77.03947	0.9
78.03457	1.1
79.05498	13.3
80.05023	7.2
81.07063	100.0
82.01456	1.3
82.07384	0.8
93.07050	2.3
94.07847	0.9
94.72622	0.5
95.04974	13.7
95.08619	15.8
96.03960	0.6
96.04513	2.8
98.21544	1.3
100.02510	4.1
105.03422	1.2
105.04508	1.1
105.07035	1.0
108.05753	1.9
108.09397	1.0
112.04008	0.8
118.03541	1.6
121.10152	1.6
123.04463	9.9
123.05576	27.9
123.08064	8.9
123.11721	32.1
124.03957	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	123.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.9
55.05514	4.0
57.07076	5.5
58.14331	0.6
61.33633	0.5
62.24538	0.5
65.03940	1.2
67.05512	17.4
69.07070	3.3
70.19952	1.4
70.20347	1.1
77.03948	0.8
78.03485	0.6
79.05505	13.1
80.05025	10.8
81.03452	0.6
81.07066	100.0
82.01471	3.0
92.32506	0.5
93.07052	1.9
94.07825	1.0
95.04983	15.4
95.08619	16.1
96.04510	3.9
100.02496	9.6
105.04536	0.6
105.07040	1.0
106.02911	0.7
112.03981	1.0
115.34739	0.6
118.03576	2.9
121.10156	1.0
123.04480	6.6
123.05579	38.2
123.08080	12.2
123.11721	30.4
124.03963	6.5
140.03488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.05521	4.1
56.87859	0.7
57.07082	5.0
65.03946	1.3
67.05509	16.3
69.07060	2.6
69.82020	2.4
69.82428	1.4
70.89557	0.7
78.03471	0.8
79.01876	1.0
79.05498	15.5
80.05029	13.5
81.07065	100.0
82.01463	1.8
82.50764	0.7
86.57057	0.7
90.27189	0.9
93.07080	1.1
94.07856	1.0
95.04980	8.1
95.06046	0.8
95.08614	18.0
96.04521	5.9
100.02509	3.5
105.07050	3.0
106.02930	1.3
107.05011	1.7
108.05749	9.6
118.03570	1.3
121.06514	1.9
121.10148	0.9
123.04486	4.8
123.05565	41.0
123.08074	27.4
123.09170	2.6
123.11717	28.4
124.03974	8.6
124.11259	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Santene
Peak:m/z	Relative Intensity
53.03957	1.6
55.05525	3.4
55.64763	0.8
57.07090	5.6
58.51965	0.6
58.90443	0.6
65.03954	1.6
67.05514	15.9
69.07076	2.7
69.51667	4.9
70.66194	0.7
72.36380	0.6
79.05502	12.2
80.05036	7.7
81.07066	100.0
82.01466	2.6
93.07046	2.0
94.07854	1.1
95.04977	12.0
95.08619	18.5
96.04497	2.2
98.20758	1.4
100.02509	6.5
105.04533	1.4
106.02902	0.8
118.03549	1.7
121.10162	2.3
123.04451	6.4
123.05572	26.9
123.08108	8.6
123.09038	1.0
123.11722	39.5
124.03979	5.0
124.07629	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27413	0.6
50.38702	0.5
53.03950	1.6
55.05519	3.9
56.96551	0.6
57.07078	3.0
67.05508	10.9
69.07070	2.2
70.04700	2.6
73.05625	0.5
78.03485	0.8
79.01859	1.4
79.05495	13.4
80.05019	11.2
81.07059	100.0
82.01456	1.8
85.88258	0.6
87.47746	0.6
93.07030	0.8
94.07829	0.6
95.04969	6.7
95.08617	6.1
96.04488	4.4
98.21120	1.0
100.02479	4.8
118.03521	2.2
123.04473	2.4
123.05556	37.5
123.08066	3.3
123.09182	1.2
123.11716	15.6
124.03970	5.6
125.08735	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.05502	3.6
56.96559	1.4
57.07068	3.1
57.43052	0.8
67.05505	14.1
67.51071	0.9
69.07092	2.0
71.52558	1.5
74.09651	0.8
78.03452	2.0
79.01859	3.7
79.04257	0.9
79.05502	12.2
80.05023	27.6
81.07061	100.0
82.01440	3.1
82.07400	1.2
88.02385	1.3
95.04975	18.5
95.06025	1.2
95.08614	9.9
96.04502	12.5
100.02499	9.6
105.04520	1.0
106.02959	1.6
108.05749	0.9
112.03970	1.2
118.03533	4.0
121.10164	1.5
123.04478	7.1
123.05560	95.7
123.08074	11.1
123.09180	3.7
123.10010	1.2
123.11713	17.2
124.03964	14.3
124.11191	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
54.10580	0.9
55.05503	3.4
57.07062	2.5
65.03944	0.8
67.05508	10.8
69.07065	1.7
70.01350	0.9
70.23430	3.1
71.85399	1.0
79.01827	1.5
79.05499	12.7
80.05030	11.2
81.07064	100.0
82.01445	3.0
82.07379	1.2
95.04977	9.5
95.08619	9.4
96.04512	6.2
98.20846	1.4
100.02484	6.3
105.04504	1.2
107.58663	0.8
118.03500	1.8
123.04610	2.1
123.05566	46.3
123.08075	4.6
123.09193	1.0
123.11719	18.2
124.03980	7.2
124.11224	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Santene
Peak:m/z	Relative Intensity
53.03944	2.2
55.05507	2.9
56.53711	0.9
56.74228	0.6
57.07085	6.7
60.57689	0.8
65.03927	1.6
67.05508	13.5
69.07064	2.4
69.86197	4.0
74.37348	0.8
78.03456	1.0
79.01876	1.4
79.05502	12.7
80.04578	1.0
80.05026	12.1
81.07063	100.0
82.01454	1.3
93.07052	2.0
95.04977	7.3
95.08621	14.7
96.04498	5.7
100.02496	5.2
101.24339	0.8
105.04460	0.8
118.03546	2.6
121.10159	1.4
123.04479	2.7
123.05560	47.6
123.08064	6.6
123.09171	3.4
123.11714	35.5
124.03964	9.7
124.11265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68422	0.8
53.03944	3.8
55.05502	3.0
56.96548	1.3
57.07067	3.7
59.77464	1.0
60.43975	0.8
60.55906	1.0
65.03934	2.1
67.05507	17.0
69.98206	4.6
79.01866	2.2
79.05498	11.6
80.05024	26.4
81.07062	100.0
82.01455	1.6
85.59520	1.1
95.04971	19.0
95.08617	10.0
96.04499	12.8
100.02477	8.5
102.29218	1.0
105.04526	2.2
106.02887	1.7
112.03946	1.6
118.03525	3.6
123.04482	5.7
123.05559	94.8
123.08070	10.3
123.09179	4.5
123.10002	1.7
123.11719	19.2
124.03943	12.8
124.07562	1.4
124.11240	3.0
140.03368	1.6
141.05066	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53360	0.8
53.03940	3.5
55.05521	5.9
55.49208	0.8
57.07079	4.4
65.03942	1.5
67.05180	1.5
67.05512	17.4
69.07067	2.7
69.48347	6.2
79.05076	1.1
79.05501	15.2
80.05024	13.5
81.03421	1.3
81.07065	100.0
81.10403	1.0
81.47357	0.8
82.01453	2.3
93.07044	2.3
94.07821	1.1
95.04980	20.0
95.08617	18.1
96.04498	4.9
97.51553	0.9
98.20759	1.6
100.02494	5.4
105.03391	1.0
105.04533	1.3
105.07005	1.8
106.02911	0.9
108.05736	1.0
118.03550	2.5
123.04456	9.6
123.05565	42.9
123.08076	11.2
123.11717	36.3
124.03976	8.7
124.12103	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03935	1.5
53.13940	0.9
55.05505	3.3
57.07076	5.5
67.05511	11.3
69.07063	3.4
70.63116	2.3
73.69699	0.9
79.05497	12.0
80.05021	3.6
81.07062	100.0
82.01450	1.5
93.07022	1.5
95.04966	2.4
95.08611	14.9
96.04515	1.4
100.02475	2.4
121.10104	1.0
123.04616	1.4
123.05559	13.0
123.08121	1.0
123.11710	35.0
124.04052	1.9
124.12099	1.0
141.79485	0.8
143.68687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01593	0.4
50.77323	0.3
51.02378	2.9
53.03717	0.3
53.03950	3.9
55.01870	1.0
57.91142	0.3
60.40203	0.2
65.03931	0.6
67.05510	5.1
71.25281	0.7
77.03932	9.2
80.05037	0.4
82.01450	10.0
82.99830	0.5
84.08150	0.4
95.04975	9.3
100.02489	19.8
101.00890	5.3
101.02590	0.6
105.03400	9.1
105.04485	2.0
118.03539	4.7
119.01933	9.0
123.04436	100.0
124.03957	1.4
124.04806	0.9
137.02960	1.3
142.03543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01600	0.5
51.02385	1.9
53.03746	0.4
53.03958	4.3
55.01867	1.3
57.07078	0.4
64.80840	0.4
65.03936	0.9
67.05177	0.6
67.05515	7.1
71.52804	0.5
77.03934	8.0
78.03463	0.5
79.05451	0.5
80.05022	7.1
81.07069	6.3
82.01446	0.7
82.32957	0.4
95.04987	12.0
95.08607	1.3
96.04498	2.9
100.02503	2.2
102.18456	0.4
105.03409	9.7
105.04493	2.1
106.02953	0.4
118.03564	0.8
123.04440	100.0
123.05540	22.3
123.08032	2.8
123.11706	2.1
124.03973	3.2
124.04765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0444
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02381	2.3
53.03952	9.3
55.01876	1.1
56.96556	0.8
65.03944	1.1
67.05515	7.4
71.51877	1.0
77.03944	7.4
78.40800	0.6
79.01866	1.0
79.05491	1.2
80.05020	10.0
81.07063	10.3
82.01474	1.8
95.04980	74.4
95.08609	1.8
96.04507	2.8
96.05302	0.8
100.02522	4.7
104.40163	0.6
105.03407	8.6
105.04527	5.2
118.03532	1.6
120.59947	0.6
123.04444	100.0
123.05553	36.0
123.08096	4.2
123.09197	2.0
123.11724	2.5
124.03964	3.8
124.04787	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0444
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02373	0.6
53.03952	9.9
55.01872	1.0
56.48737	0.2
61.17365	0.2
65.03956	0.3
67.05512	2.3
77.03935	2.0
78.03455	0.4
80.05025	2.1
81.03431	1.1
81.07055	1.4
82.01436	0.2
90.97720	0.2
95.04978	100.0
95.08620	0.6
96.04521	0.6
96.05314	0.8
100.02488	0.5
105.04525	5.2
106.02895	0.3
118.06560	0.4
123.04452	28.9
123.05556	8.0
123.08099	1.2
123.09136	0.5
123.11721	0.6
124.03992	1.0
124.04808	0.4
124.07641	0.3
137.68500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0808
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03945	5.4
55.01888	4.2
55.05517	6.3
56.96555	0.8
57.03434	1.3
57.07075	1.5
65.03938	2.3
65.70463	0.5
67.05512	39.2
68.05822	0.7
69.07066	0.8
69.44099	4.3
72.92317	0.5
77.03945	1.4
78.03452	2.1
79.01839	1.3
79.05503	26.1
80.05025	27.3
80.06264	0.9
81.03421	4.4
81.07065	69.3
82.01454	2.1
82.07399	0.7
91.05494	2.4
93.07052	9.3
94.72523	0.6
95.04982	35.4
95.08617	36.1
96.04501	12.1
96.08148	1.1
98.20762	1.1
100.02499	8.3
103.05470	0.9
105.03414	0.6
105.04523	1.7
105.07040	8.6
106.02923	2.2
106.06552	0.7
108.05753	3.4
112.03964	2.3
118.03515	3.9
123.04477	10.2
123.05566	100.0
123.08076	74.4
123.09104	2.7
123.09991	1.3
123.11704	9.5
124.03064	0.9
124.03968	16.7
124.05894	1.1
124.07578	2.1
124.08412	1.0
124.11243	0.8
140.03433	1.1
141.05110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01870	1.0
56.96560	2.2
57.03435	2.5
58.28823	0.6
58.99865	1.9
61.02932	1.7
67.25098	0.6
69.03423	2.9
69.24878	3.3
69.25301	2.6
70.06605	0.8
70.99863	0.9
73.02915	3.0
78.52975	1.8
80.05025	3.0
81.01928	1.6
81.03411	1.9
82.01452	52.6
82.99844	2.0
83.01511	1.2
84.08147	1.2
85.02927	2.0
86.52722	1.7
88.02690	1.6
93.01918	1.8
93.53487	0.7
95.04971	0.9
97.02905	2.9
98.20720	1.3
98.52699	1.2
98.97565	1.1
100.02492	100.0
101.00892	13.2
101.02571	2.7
102.00979	1.0
102.02394	1.8
103.54754	1.2
106.02973	0.8
109.02848	0.8
111.02933	2.0
113.00869	1.4
115.02435	1.6
118.03531	25.8
119.01937	20.3
123.04082	1.4
123.05571	8.5
124.02467	1.6
124.03988	0.7
127.03880	0.8
131.01918	3.9
133.03465	1.0
137.02971	2.9
142.03511	4.7
143.01959	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
55.01863	1.7
56.96569	11.6
57.03422	1.4
65.03924	0.9
67.05503	6.1
69.03419	1.5
70.06590	2.3
70.90137	1.9
77.03895	1.0
78.03432	1.8
78.06310	1.2
79.05486	3.1
80.04578	1.4
80.05022	25.2
81.07059	8.3
82.01447	29.0
82.40553	0.7
82.99848	1.1
84.08132	2.2
85.02937	1.3
88.51562	1.6
89.00766	1.1
93.01901	0.9
95.04373	1.5
95.04977	29.4
95.08601	2.3
96.04510	7.5
98.97567	1.7
99.99996	1.5
100.02491	74.1
101.00886	10.3
101.02579	0.8
105.03369	2.0
105.04488	2.3
105.06182	0.7
105.06978	0.8
106.02892	2.2
108.51250	1.5
109.00484	2.6
109.02876	1.5
110.57369	0.7
111.53625	1.9
112.03928	1.1
117.51821	1.0
118.01054	1.1
118.02691	1.3
118.03526	25.2
119.01931	22.5
121.01604	1.0
123.04435	19.0
123.05546	100.0
123.08029	6.3
123.09075	1.4
123.10024	2.0
123.11704	1.9
124.03959	8.2
124.07578	2.6
129.76366	0.8
131.01929	2.1
137.02937	6.1
142.03477	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49711	0.4
56.04026	0.3
58.99874	1.2
70.92134	0.5
70.92437	0.6
80.05021	0.8
81.07074	0.9
82.01450	52.6
82.99847	1.5
83.01526	1.0
87.15551	0.4
87.29976	0.4
95.04971	2.6
96.04505	0.5
98.20770	0.4
100.02489	100.0
101.00890	14.0
101.02581	1.7
102.02905	0.4
112.76778	0.4
118.03529	26.5
119.01931	25.9
123.04106	1.7
123.05528	3.8
124.03945	0.6
124.53987	0.4
128.58315	0.4
137.02950	4.0
142.03537	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70575	0.8
70.92870	2.0
71.81484	0.7
82.01452	52.1
83.01513	0.8
100.02493	100.0
101.00893	7.7
101.02563	1.5
111.21892	0.7
117.56945	0.7
118.03530	27.1
119.01928	13.4
123.04063	1.1
136.28786	0.7
137.02983	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
56.96583	3.8
57.03424	2.0
58.99872	1.0
61.02935	1.3
69.03430	2.6
70.06589	1.0
70.35641	2.8
73.02925	2.3
76.29491	0.8
78.03429	0.9
78.52966	1.4
80.05022	4.3
81.01893	1.2
81.08222	0.8
82.01452	58.9
82.25256	0.9
82.99873	2.1
83.01558	1.3
84.52986	1.6
85.01398	0.8
85.02898	1.5
88.02686	2.4
92.52692	1.1
95.04988	0.9
97.02908	2.3
99.25376	0.8
100.02491	100.0
101.00888	17.8
101.02595	1.8
102.02372	1.0
106.02903	1.0
109.00504	1.8
113.00896	1.7
118.03529	25.7
119.01937	31.3
121.01573	0.9
123.04136	1.2
123.05572	14.1
124.03941	1.0
131.01900	4.1
137.02956	5.8
142.03491	4.5
143.01892	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03944	7.1
55.05511	6.2
66.90672	1.1
67.05505	1.5
70.32711	3.2
75.74269	1.0
77.03928	1.2
79.05072	1.8
79.05499	27.8
81.07059	4.4
87.33955	1.0
91.04923	1.6
91.05488	32.9
93.07049	100.0
94.07345	1.2
95.04978	8.4
103.05462	6.1
105.04524	3.8
105.07034	24.3
105.07699	1.9
106.07808	3.9
118.70146	1.0
119.08578	4.2
121.10152	36.3
133.07553	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1016
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02369	1.1
53.03948	12.4
55.01883	1.5
55.05518	7.8
65.03941	4.7
67.05501	1.8
77.03932	2.2
78.04709	1.1
79.05501	48.1
81.07058	3.3
91.04922	1.8
91.05490	37.6
93.07056	100.0
95.04974	11.8
103.05486	15.8
105.04541	6.8
105.07042	73.0
106.07863	6.2
111.04461	1.4
119.08601	10.0
121.02870	6.7
121.03958	2.6
121.06532	15.2
121.10156	64.8
122.10529	1.3
123.08102	6.5
123.08860	1.1
133.07613	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	1.6
58.99850	1.4
60.23359	1.2
63.19691	1.1
69.59427	2.4
69.59837	4.3
70.06588	2.3
78.03452	2.1
78.52989	1.2
80.05013	4.8
82.01453	57.3
88.02628	1.2
93.01878	1.5
95.04985	2.8
100.02491	100.0
101.00894	7.7
101.02566	2.1
102.02343	1.9
103.54739	1.3
106.02924	2.2
106.33030	1.1
111.02964	1.4
113.00850	1.9
116.03709	1.3
118.03531	26.7
119.01939	12.6
123.04337	1.6
123.04536	1.8
123.05563	22.4
130.24161	1.1
131.01898	2.8
137.02972	2.2
142.03502	2.8
143.01866	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02385	1.1
52.44248	0.4
53.03950	14.5
55.01878	2.0
56.46915	0.4
56.96576	2.0
65.03931	0.5
71.25942	0.6
77.03929	4.6
81.03429	1.4
90.39904	0.4
91.05487	45.4
93.07047	47.9
95.04372	0.8
95.04977	13.5
95.64109	0.4
98.01304	0.6
98.97599	0.5
102.04700	0.8
102.96876	0.5
103.05473	59.9
104.05798	0.6
105.04507	6.4
113.86572	0.5
121.01666	1.3
121.06509	100.0
122.06872	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02385	1.1
53.03719	0.9
53.03953	16.1
55.01861	2.1
56.96573	1.2
57.03425	0.4
63.13857	0.4
70.36492	1.4
77.03931	4.2
79.05493	0.6
81.03422	1.2
81.64192	0.4
89.00817	0.5
91.05488	45.7
93.07050	46.1
95.04975	14.7
99.03853	0.5
102.04699	1.3
103.05474	62.0
104.01404	0.5
105.04522	7.0
121.01727	0.7
121.06513	100.0
122.06882	0.5
130.96263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03951	8.5
55.05524	6.6
67.05498	1.4
70.68929	1.0
71.32253	1.1
71.32603	1.2
77.03913	1.0
79.05087	1.6
79.05503	27.6
81.03356	1.3
81.04550	1.4
81.07034	4.0
83.44895	1.0
91.05492	33.4
93.07055	100.0
94.07346	1.2
95.04970	8.1
95.92860	0.9
96.19293	0.8
103.05476	9.1
103.09519	6.8
103.21616	1.1
105.04504	4.3
105.07044	34.2
106.07790	3.9
111.19006	1.0
119.08611	5.7
120.96018	0.8
121.02890	1.5
121.03954	2.3
121.06521	9.8
121.07462	1.6
121.10125	40.1
122.05984	1.5
122.07095	1.0
122.09635	3.8
123.08036	3.0
133.07581	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	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
56.05035	9.0
57.03455	0.9
57.63076	0.7
58.62680	0.7
63.36034	0.6
65.03934	2.1
65.34482	0.7
71.09208	1.7
74.06081	12.8
77.03940	0.8
79.05515	3.5
91.05484	7.6
92.05013	4.5
92.05813	6.2
93.07049	14.8
95.04983	1.3
102.05556	3.7
102.09216	3.5
103.05473	49.4
104.95375	0.6
105.04566	0.9
105.07052	4.7
110.89629	0.7
118.06561	0.7
119.07330	1.2
119.08628	1.2
120.00292	0.7
120.04510	6.7
120.05714	5.2
120.08115	100.0
120.08865	4.6
120.10242	2.5
121.02872	1.9
121.04043	0.9
121.06540	2.2
121.10136	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	120.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.2
56.05036	3.5
64.58414	0.5
65.03949	1.2
69.36768	3.1
69.37183	1.1
72.92730	0.5
74.06084	6.7
77.03902	0.4
79.05495	1.6
85.35582	0.5
91.05489	7.2
92.05016	1.7
92.05821	3.0
93.07048	11.4
94.06550	0.6
95.04976	0.7
99.74402	0.5
102.05548	2.0
102.09188	3.4
103.05475	50.4
104.05859	0.7
105.04517	0.8
110.06038	0.8
118.06574	0.8
118.07359	0.7
120.04511	2.5
120.05618	4.9
120.08115	100.0
120.10216	3.0
121.04017	0.5
121.06493	1.2
121.08492	0.7
121.10150	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02378	1.3
53.03952	17.4
53.90618	0.7
55.01863	2.3
56.96564	1.4
58.89112	0.6
65.03929	0.9
70.67793	1.6
70.68121	0.8
77.03937	3.6
79.05528	0.9
81.03407	1.9
91.05491	46.9
93.07054	49.2
95.04974	15.9
98.97620	1.0
99.12851	0.8
101.00932	0.6
102.04681	0.9
103.05478	60.3
105.04532	7.4
105.93090	0.7
111.04373	0.7
121.06516	100.0
139.73030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03947	1.8
54.04265	0.4
56.05058	0.4
60.64386	0.4
62.31390	0.4
65.03949	1.8
70.80515	1.0
72.70712	0.4
74.50045	0.7
78.04722	0.4
79.05500	3.4
91.05493	100.0
92.05819	1.1
93.07043	2.8
95.05006	1.3
95.52316	0.5
101.00591	0.4
103.05482	4.3
104.06263	6.3
115.05501	2.2
117.07026	12.4
118.07258	0.4
119.05009	0.8
119.06104	1.8
119.06893	2.4
119.08594	56.6
120.08138	0.7
120.08916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03954	1.7
63.86083	0.4
65.03952	2.1
70.09067	1.8
74.06078	0.6
77.03915	0.5
78.04729	0.8
79.05504	4.3
86.06033	0.4
91.05490	63.5
92.05837	0.4
93.07047	3.9
95.04977	1.0
103.05485	7.4
104.06262	7.8
105.04494	0.8
114.70629	0.4
115.05471	4.0
116.72184	0.4
117.07031	15.6
117.07866	0.9
119.04980	1.0
119.08592	100.0
120.08199	0.5
120.08949	1.1
130.67239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03950	0.8
56.05038	0.7
65.03945	11.5
69.09403	0.3
71.06926	0.5
71.52052	0.6
73.08502	1.0
74.06089	1.0
74.50051	0.5
79.05495	1.8
83.50561	0.6
86.62222	0.4
86.71437	0.3
86.71926	0.4
91.05487	100.0
92.05011	0.5
92.05831	1.5
93.07051	1.2
95.04968	0.7
95.52371	0.9
96.61650	0.4
103.05475	2.6
104.06275	2.2
104.52908	1.6
105.04532	0.4
115.05456	0.9
117.07024	4.9
119.04953	38.1
119.06020	2.1
119.06838	1.5
119.08585	28.9
120.04479	0.7
120.05415	0.6
120.08131	0.9
122.69987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03952	0.8
55.05524	0.6
56.05832	0.5
59.04996	0.6
65.03944	9.0
71.53194	0.8
73.02928	0.6
73.08485	1.6
74.06072	0.5
79.05484	1.6
88.04797	0.7
91.05485	100.0
92.05060	0.6
92.05814	1.0
93.07043	0.9
102.09204	1.0
103.05488	1.7
104.06297	1.0
104.52882	0.7
117.07011	3.2
119.04950	32.5
119.06041	2.4
119.06799	0.9
119.08570	15.7
120.05577	0.6
120.10261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03951	2.2
64.70506	0.6
65.03941	3.3
69.28371	5.4
71.06936	0.9
73.08505	1.1
73.83638	0.7
74.06077	1.2
79.05501	6.2
80.40683	0.7
83.50536	0.9
87.02052	0.7
91.05488	100.0
92.05829	1.3
93.07043	6.6
95.04967	1.8
95.52350	1.3
101.71806	0.7
103.05476	11.0
104.06261	9.9
104.52885	2.1
109.06516	2.3
115.05457	6.1
117.07025	40.8
119.04951	7.9
119.06130	6.6
119.08586	98.9
120.05589	1.2
120.08926	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02383	0.4
53.03944	1.2
56.05031	0.6
56.96564	0.5
63.02381	0.3
65.03949	8.5
67.05498	0.3
69.15535	2.6
69.15940	0.8
71.04924	0.3
73.08489	0.8
74.06086	0.8
74.50034	0.8
78.04726	0.5
79.05507	3.8
83.50551	0.9
87.30611	0.3
91.05489	100.0
92.05038	0.4
92.05826	0.8
93.07056	2.8
95.04953	0.7
95.52383	0.7
103.05474	5.8
104.06263	4.6
104.52900	1.9
105.04515	0.8
115.05457	1.9
117.07034	10.8
119.04955	25.3
119.06065	1.9
119.08589	63.5
120.04481	0.5
120.08123	1.0
120.08932	0.9
123.59147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14284	0.5
54.04292	0.5
55.01893	0.5
55.05515	0.4
56.05037	0.7
56.45385	0.5
65.03942	10.6
69.89645	1.5
71.06923	1.0
73.08487	0.5
74.06084	1.8
74.50023	0.7
79.05494	1.4
83.08648	0.4
83.50536	0.7
88.66898	0.4
91.05486	100.0
92.05004	0.5
92.05816	1.0
93.07069	1.2
95.52371	1.1
96.05300	0.4
98.21468	0.5
100.12365	0.4
103.05479	2.0
104.06255	1.2
104.52872	1.9
105.04524	0.5
105.19859	0.4
105.47953	0.4
117.07020	3.4
119.04950	38.7
119.06023	2.2
119.06836	1.2
119.08583	20.5
120.04465	0.6
120.05466	0.7
120.08110	1.2
120.10251	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02375	4.4
53.03714	3.4
53.03954	47.9
58.06610	10.3
59.07364	5.3
59.50652	2.4
66.04717	7.6
69.03436	3.5
69.48710	13.7
70.06602	7.7
72.08169	14.5
77.03931	9.3
81.03441	2.8
87.04465	6.5
89.03935	10.4
90.04725	16.9
91.05487	5.1
95.04980	39.0
98.20844	3.3
100.07648	3.2
105.04533	22.2
116.97572	1.8
118.04179	10.8
118.06557	100.0
118.08670	30.4
119.08606	2.6
121.87498	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
54.08921	2.5
56.96569	4.5
57.05809	6.2
58.99852	3.8
59.52207	4.3
67.05506	3.6
68.88342	2.4
69.03436	78.3
70.07199	11.7
71.02974	7.0
73.89831	3.1
78.52967	9.1
80.02962	2.9
82.01445	54.8
82.99849	5.9
83.01523	4.4
83.50548	3.0
84.52967	4.4
85.53745	6.5
87.53475	10.8
91.04975	3.6
91.05492	39.0
93.03742	2.5
93.53505	13.1
97.02873	3.5
99.02917	2.5
100.02489	96.4
101.00880	43.6
101.02568	6.0
102.59066	2.6
103.02455	5.4
107.05290	3.4
107.53227	10.0
115.02405	3.6
116.05799	5.5
118.03532	31.3
119.01931	100.0
119.08567	6.2
121.03597	3.7
126.04082	3.1
129.04045	2.6
131.01936	5.0
133.03494	9.6
137.02998	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22734	0.7
55.05516	0.8
63.02383	0.6
65.03944	10.7
71.06933	0.8
71.51725	0.9
72.08158	0.9
73.01553	0.5
73.08485	1.7
74.06062	0.8
74.50033	0.6
79.05490	2.3
83.50553	0.9
91.05488	100.0
93.07051	1.0
95.52329	0.9
102.09182	0.7
103.05479	2.3
103.27240	0.6
104.06263	1.1
104.52865	2.1
117.07030	3.6
119.04955	37.2
119.06016	2.3
119.06819	1.2
119.08585	20.1
120.08118	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	4.9
53.03716	2.8
53.03952	50.5
55.01875	2.2
55.05522	1.7
58.06598	4.6
59.07377	2.8
66.04746	7.6
69.71983	8.9
70.06601	2.4
72.08174	8.0
77.03941	11.7
81.03409	4.8
83.58053	1.4
84.48646	1.6
87.04474	4.4
89.03928	9.2
90.04715	17.9
91.05488	6.2
92.02624	2.0
94.38187	1.6
95.04977	42.3
100.07612	1.9
100.11227	1.9
105.04524	19.6
114.75703	1.5
118.04207	13.9
118.06554	100.0
118.08657	19.3
119.08608	2.5
122.03568	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	2.3
51.02372	4.4
53.03952	51.8
55.01870	2.3
58.06609	2.4
59.07362	1.6
69.24908	9.0
69.25314	3.7
70.06586	4.1
72.08154	10.1
77.03920	11.8
80.46291	1.3
81.03409	3.4
87.04485	7.0
91.05484	5.6
93.71925	1.7
95.04978	39.8
100.07632	2.3
105.04515	18.7
114.04149	1.4
117.07005	2.8
118.06552	100.0
118.08664	6.2
119.08575	2.8
137.38992	1.3
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
50.01597	1.9
51.02376	4.2
53.03951	46.0
55.01864	2.8
55.05505	2.3
57.83794	1.4
58.06588	1.4
63.84513	1.5
68.22890	1.6
69.03401	1.7
70.06591	3.9
70.56733	1.4
71.52692	1.6
72.08163	11.2
76.93364	2.1
77.03945	7.7
81.03432	3.6
87.04458	4.3
91.05466	3.7
95.04980	40.2
105.04530	24.1
117.07003	2.9
118.06550	100.0
118.08676	5.4
119.08591	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01584	1.3
51.02374	3.4
53.03951	43.9
55.01878	1.7
55.51056	0.9
60.91622	0.9
63.61683	0.9
71.13169	2.0
77.03921	10.3
81.03407	3.4
87.04484	1.8
90.22157	0.9
91.05485	4.7
95.04977	31.9
102.52998	1.0
105.04523	23.8
117.07005	1.7
118.06554	100.0
119.06843	1.3
119.08557	2.7
119.80695	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	1.2
51.02374	4.3
53.03954	46.0
55.01883	1.1
55.29550	1.2
58.06606	1.7
70.06592	1.6
70.91066	2.2
70.91404	1.9
72.08159	5.3
77.03928	9.0
81.03429	4.5
87.04462	1.4
89.76762	1.1
91.05468	2.9
95.04977	37.3
100.07646	1.3
105.04523	19.2
117.07014	1.4
118.06553	100.0
118.08639	6.4
119.06906	1.4
119.08611	1.5
123.51585	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03416	8.3
83.01329	0.4
83.04988	1.1
85.02889	0.5
86.23305	0.1
89.03915	0.5
90.04681	0.4
91.05480	4.4
93.03398	0.5
93.07056	0.3
94.04173	0.7
95.01324	0.3
95.04971	1.7
97.02889	3.7
102.04676	0.3
103.05458	1.5
104.06202	0.2
105.03381	1.4
105.04459	0.3
105.07025	1.5
106.04184	0.3
107.04953	6.9
108.05737	2.3
109.02876	1.0
109.06502	0.5
111.00787	0.2
111.04436	1.2
113.02320	0.3
115.05443	4.8
116.06244	1.2
117.07021	2.5
118.04152	0.4
119.04946	0.4
119.05997	0.2
119.08605	0.3
121.02879	0.7
121.06499	2.2
122.03683	0.9
122.07269	0.3
123.04421	1.2
125.02351	6.9
127.05447	0.3
128.06223	4.6
128.37520	0.2
129.07007	4.4
130.04149	0.2
130.07787	0.3
131.04932	3.4
131.08560	1.4
132.05739	1.0
133.02821	0.4
133.06497	1.3
135.04422	4.2
136.05197	3.5
137.02325	0.5
137.05977	10.3
138.06778	0.9
139.03862	0.5
139.05434	0.3
139.07507	0.2
140.06140	0.2
141.06998	1.8
142.07767	0.6
143.03450	0.2
143.03816	0.2
143.04912	1.4
143.06003	0.3
143.08566	1.1
144.05704	2.8
145.06480	16.4
146.07271	2.8
147.04408	0.5
147.08015	0.8
149.02365	1.0
149.05951	0.4
149.61307	0.2
151.03986	5.1
151.07542	100.0
152.06172	1.2
152.07852	1.0
153.01807	0.4
153.06970	0.8
154.07803	0.2
155.03398	7.5
155.04832	0.8
155.05939	1.0
155.08412	0.2
156.05704	1.0
157.06491	5.1
158.07271	5.7
159.04431	2.8
159.08055	7.0
160.05209	2.4
160.08838	2.8
161.05991	4.4
161.09550	0.3
162.06711	0.9
163.03923	0.6
163.07533	0.6
165.01811	0.4
165.05473	2.2
165.06979	1.4
165.09114	0.2
166.07802	0.5
167.03410	2.5
167.04797	0.2
167.07237	0.3
167.08566	0.7
168.05736	0.8
169.06464	1.5
169.07707	0.5
170.07240	0.5
171.04404	0.2
171.08044	5.2
172.05162	0.7
172.08829	11.6
173.05988	7.7
173.07536	0.3
173.09456	0.5
174.06764	12.1
175.03931	1.2
175.07547	7.3
176.08321	5.1
177.05608	0.3
177.07297	0.3
177.09109	4.8
178.07748	0.5
179.03419	1.5
179.06941	0.4
179.08539	0.6
180.05664	0.7
181.04947	0.5
181.06454	3.2
182.07254	2.1
183.02867	0.5
183.04384	0.2
183.08040	2.2
184.05205	0.4
184.08818	0.7
185.05962	1.2
185.09663	0.2
186.06737	0.7
187.07542	7.8
188.08324	16.7
189.09102	83.9
190.07794	0.3
190.09543	1.4
191.03381	0.5
191.07048	0.4
191.08644	0.7
191.10654	4.3
193.06354	0.2
193.10049	0.3
194.07295	0.7
194.13274	0.2
195.08058	2.5
196.08838	9.8
197.04416	0.3
197.05916	0.8
197.09673	0.8
198.06703	1.2
199.07549	1.9
199.11134	0.3
200.08324	3.6
201.05516	1.4
201.09105	13.3
202.06126	0.3
202.08002	0.4
202.09874	9.1
203.07129	1.3
203.08757	0.8
203.10657	24.7
204.07759	0.6
204.11050	0.2
205.04842	0.3
205.06570	0.5
205.08612	1.7
205.10110	0.2
206.07312	0.3
207.08136	1.3
208.08858	1.2
209.04413	0.6
209.06125	0.3
209.09570	1.2
210.06813	0.3
210.10451	0.9
211.07532	1.8
211.11125	0.2
212.08316	3.7
213.09100	9.5
214.09856	1.1
215.06955	0.9
215.10612	2.0
216.07822	3.3
217.06599	0.4
217.08553	1.9
218.07280	0.6
218.09393	0.9
219.08151	1.8
219.10141	26.2
220.07240	0.4
220.08833	0.5
220.10605	0.3
221.06110	0.3
221.09613	0.8
221.11751	0.8
222.06747	0.2
222.10414	0.9
223.07486	1.2
224.08308	1.4
225.05513	0.2
225.09076	1.2
226.09891	3.7
227.10660	10.4
228.07785	0.3
228.11328	0.7
229.08609	1.2
229.12283	0.2
230.09393	0.4
231.10156	40.7
232.08806	0.6
232.10733	0.6
233.05951	0.4
233.08052	0.8
233.09676	0.8
233.11853	0.3
234.06738	0.4
234.10416	1.5
235.07622	1.1
235.09555	0.3
236.08347	0.5
237.05417	0.3
237.09093	1.3
238.09923	1.4
239.06978	0.6
239.10640	2.7
240.07829	0.8
240.11404	0.3
241.08661	1.1
241.12204	1.9
242.09335	0.4
242.13046	0.3
243.10114	0.9
246.06619	0.4
247.07758	1.1
247.09462	0.8
248.08354	1.2
249.09148	1.3
249.11230	31.3
250.09627	1.3
250.12099	0.3
251.07101	0.6
251.10652	1.6
252.07826	0.2
252.11444	0.9
253.08664	0.7
253.12225	2.0
254.09369	0.8
255.10159	2.2
256.10849	0.3
257.11765	1.0
259.07233	0.2
259.09732	0.2
260.08383	0.2
261.09064	0.6
262.06372	0.1
262.09894	0.7
263.07147	1.2
263.10617	2.0
264.07782	0.6
264.11322	0.4
265.08569	0.6
265.12228	1.4
266.09329	0.6
267.06702	0.2
267.10193	1.4
268.10867	0.2
269.08435	0.3
269.11716	2.2
270.08917	0.2
270.12506	1.8
271.09586	0.8
271.13208	0.2
272.10190	0.2
275.06931	0.3
275.10745	0.2
276.07813	0.6
277.08627	0.8
278.09283	1.5
279.06488	0.5
279.10162	1.4
280.07285	0.4
280.10431	0.3
281.08377	0.4
281.11673	3.1
282.08871	0.2
282.12402	0.2
283.09656	0.7
283.13315	1.0
285.11197	0.4
289.08636	0.2
290.09427	0.2
291.06717	0.4
291.10114	2.7
292.07166	0.2
292.10803	0.3
293.08130	0.9
293.11719	1.7
294.08813	0.5
294.11981	0.2
295.09647	1.2
295.13141	0.5
296.10446	0.4
297.11224	1.2
299.09442	0.3
299.12775	0.9
305.08118	0.2
306.08826	0.5
307.09671	0.7
308.10327	0.6
309.11182	8.2
310.11823	0.3
311.09189	0.4
311.12723	2.5
313.10727	0.7
318.08923	0.2
319.09357	0.8
321.11063	0.9
322.08585	0.2
323.09125	0.3
323.12744	0.5
325.10754	1.9
326.11295	0.3
327.12238	2.2
335.09186	0.3
337.10706	5.2
338.11514	0.4
339.12317	3.1
341.13977	0.9
343.11874	0.4
349.10666	0.9
353.10126	0.4
355.08243	0.1
355.11749	5.9
356.12473	1.6
357.13327	17.8
358.13623	0.6
367.11771	3.3
368.12497	0.2
373.12866	1.8
383.11206	0.6
385.12805	26.7
386.13095	0.8
387.14435	0.2
401.12476	0.3
402.13040	0.2
403.13867	2.6
404.14319	0.2
603.21661	0.2
651.24072	0.4
695.25104	0.3
713.26270	0.3
743.27209	0.3
759.26709	0.7
815.67279	0.2
1149.79517	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62342	0.1
56.96563	0.3
68.05035	0.3
70.06599	100.0
70.80190	0.3
71.06926	0.5
74.02435	0.1
74.93828	0.2
98.06016	0.2
116.07104	15.3
120.99100	0.1
123.95726	0.1
134.62895	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	1163.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03419	9.1
83.04983	0.7
85.02911	0.5
89.03923	0.4
90.04700	0.2
91.05488	3.5
93.03407	0.7
93.07040	0.3
94.04185	0.6
95.01325	0.3
95.04980	1.2
97.02896	2.6
103.05461	1.3
105.03397	0.9
105.07040	1.4
106.04159	0.3
107.04961	7.2
108.05752	2.0
109.02882	0.8
109.06524	0.4
111.04441	0.7
115.05458	3.5
116.06239	0.8
117.07012	1.7
118.04153	0.3
119.04951	0.6
119.08583	0.3
121.02852	0.5
121.06494	1.5
122.03641	0.9
123.04420	0.9
125.02359	4.8
125.07430	0.2
128.06221	3.4
129.07022	3.6
130.07825	0.3
131.04930	2.7
131.08568	1.4
132.05696	0.5
133.02840	0.4
133.06467	1.3
135.04430	3.7
136.05214	3.4
137.02376	0.5
137.05980	8.8
138.06737	0.6
139.03902	0.7
139.05371	0.3
139.07555	0.3
141.06981	1.4
143.04947	1.5
143.08548	0.8
144.05733	2.4
145.06488	11.6
146.07288	2.3
147.04434	0.6
147.08055	0.6
149.02318	0.6
149.05965	0.2
151.04048	3.1
151.07547	100.0
152.06163	0.6
152.07845	1.1
153.05443	0.3
153.06999	0.6
155.03404	6.2
155.04771	0.5
155.06052	0.6
155.08575	0.2
156.05692	0.9
157.06485	5.0
158.07280	4.7
159.04398	2.7
159.08047	5.5
160.05191	2.2
160.08832	2.5
161.05988	3.5
161.09589	0.2
162.06755	1.0
163.03943	0.4
163.07501	0.3
165.01904	0.4
165.05490	1.6
165.07022	1.2
165.09128	0.2
166.07761	0.3
167.03433	2.2
167.04791	0.4
167.08595	0.5
168.05595	0.5
169.06424	1.3
169.07803	0.3
170.07294	0.5
171.04453	0.3
171.08047	4.2
172.05257	0.3
172.08842	8.8
173.05992	5.2
173.09561	0.4
174.06775	11.7
175.03909	0.8
175.07556	6.6
176.08336	3.8
177.09109	4.0
178.07767	0.4
179.03404	1.1
179.08569	0.5
180.05664	0.6
181.05019	0.5
181.06474	2.3
182.07263	1.5
183.04385	0.3
183.08096	1.2
184.05148	0.4
184.08914	0.4
185.06012	1.0
186.06697	0.7
187.03946	0.3
187.07552	6.8
188.08322	14.7
189.09111	70.8
190.07805	0.4
190.09589	1.5
191.03419	0.4
191.06961	0.7
191.08702	0.5
191.10648	3.9
194.07326	0.7
195.08133	2.0
196.08838	7.4
197.05986	0.8
197.09595	0.6
198.06691	1.1
199.07503	1.0
199.11224	0.2
200.08316	2.5
201.05431	0.8
201.09108	12.5
202.08037	0.5
202.09895	7.7
203.06999	1.2
203.10664	19.0
204.07854	0.5
204.11000	0.5
205.06604	0.5
205.08607	1.0
206.07198	0.3
207.08022	0.8
208.08868	0.9
209.04413	0.7
209.06136	0.5
209.09637	0.7
210.06801	0.2
210.10385	0.8
211.07552	1.7
212.04305	0.2
212.08296	2.9
213.05867	0.2
213.09122	6.8
214.09862	0.9
215.07008	0.6
215.10640	1.2
216.07802	2.4
217.08600	1.3
218.07312	0.4
218.09320	0.7
219.08199	1.4
219.10152	24.3
220.07147	0.5
220.08969	0.3
221.06013	0.3
221.09610	0.7
221.11804	1.0
222.10373	0.5
223.07518	0.6
224.08330	1.0
225.09125	1.2
226.06465	0.3
226.09880	3.0
227.07170	0.4
227.10667	8.0
228.11392	0.5
229.08627	1.1
229.12128	0.4
230.09439	0.3
231.10165	33.3
232.08705	0.4
232.10713	0.5
233.09753	0.5
234.06635	0.4
234.10353	1.5
235.07498	0.9
235.09534	0.4
236.08344	0.7
237.09134	0.9
238.09862	0.6
239.07031	0.4
239.10655	2.9
240.07741	0.4
241.08618	0.7
241.12199	1.6
243.10074	1.1
247.07486	0.9
247.09798	0.7
248.08322	1.0
249.11243	29.8
250.09691	1.0
251.06979	0.5
251.10594	0.8
252.07672	0.3
252.11475	0.7
253.08551	0.5
253.12256	1.0
254.09447	0.4
255.10089	2.0
256.11020	0.2
257.08264	0.3
257.11685	0.9
260.08279	0.3
261.09131	0.4
262.09894	0.7
263.07098	0.6
263.10739	1.5
264.07828	0.5
264.11334	0.2
265.08551	0.8
265.12173	1.0
266.09186	0.5
267.10001	1.0
268.10898	0.3
269.11676	1.6
270.12527	1.4
271.09610	0.6
276.07758	0.5
277.08676	0.6
278.09329	1.1
279.10141	1.1
280.10999	0.4
281.08505	0.4
281.11682	2.4
283.09604	0.7
283.13425	0.6
291.10147	1.8
293.08136	0.8
293.11743	1.0
294.08789	0.4
295.09692	0.9
295.12799	0.2
296.10406	0.4
297.11191	0.7
299.12747	1.0
306.08725	0.4
307.09573	0.6
308.10291	0.4
309.11182	6.1
311.09479	0.3
311.12875	1.5
313.10770	0.6
319.09576	0.6
321.11206	0.4
323.08942	0.3
323.12704	0.4
325.10727	1.7
326.11304	0.3
327.12152	1.5
337.10669	4.0
338.11160	0.3
339.12292	2.6
341.13791	0.6
343.11624	0.6
349.10745	0.7
355.11813	4.8
356.12540	0.6
357.13364	13.6
367.11743	3.0
373.12540	1.2
383.11032	0.3
385.12839	21.5
386.13104	0.5
392.94794	0.2
401.12173	0.5
402.12961	0.3
403.13956	2.1
462.79987	0.3
554.54694	0.2
651.24158	0.2
732.08423	0.3
759.26044	0.4
845.30005	0.3
1062.86938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58843	0.5
59.04983	0.8
63.02378	0.7
65.03930	1.7
70.06598	45.7
71.32416	1.3
78.25018	0.5
78.37791	0.5
87.04470	1.1
87.37668	0.5
89.03931	5.1
89.20142	0.5
94.19270	0.5
103.96232	0.5
104.14120	0.6
104.40849	0.6
115.05465	100.0
116.05821	1.5
116.07094	6.8
117.27260	0.6
127.75093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92053	0.2
57.02236	0.2
58.89624	0.1
68.05029	0.3
70.06597	100.0
70.20686	0.6
71.06929	0.5
116.07100	14.4
133.29178	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75126	0.1
60.94465	0.1
68.05023	0.3
70.06597	100.0
70.53818	0.3
71.06925	0.4
88.00024	0.1
98.06047	0.1
116.07100	15.5
122.38371	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	D-Proline
Peak:m/z	Relative Intensity
50.72117	0.2
57.32467	0.1
63.37664	0.2
63.97484	0.2
68.05025	0.2
69.31494	1.1
70.06599	100.0
71.06939	0.5
76.44185	0.1
91.28908	0.2
98.20945	0.6
103.23734	0.2
116.07104	14.2
128.55855	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0873
Annotation	histamine
Peak:m/z	Relative Intensity
51.07329	0.2
56.05038	0.5
56.96575	4.6
67.05510	0.3
68.05035	6.9
68.63261	0.3
68.99773	0.3
69.03439	2.5
69.04555	1.9
69.07060	0.3
69.53393	1.6
70.02936	0.4
70.06600	66.7
70.94260	0.7
70.95872	0.8
70.98134	0.3
71.94108	0.8
78.03461	1.3
78.33894	0.3
79.01811	0.4
80.01500	0.2
82.01474	0.5
82.05358	0.4
83.05642	0.6
83.06112	7.1
84.04517	1.4
84.06435	0.4
84.08149	1.6
84.96014	0.4
85.07685	1.0
88.02357	1.2
88.50754	0.3
88.51588	0.6
89.00267	3.0
89.00762	0.4
94.04055	0.9
95.02469	6.6
95.06101	100.0
96.04501	7.2
96.06458	0.5
97.99203	0.5
98.00764	1.5
98.21522	0.5
98.97581	1.7
100.02489	0.7
102.02263	0.4
112.05108	34.4
112.07629	5.0
112.08740	38.4
112.11256	1.4
113.02375	0.8
113.03506	0.4
116.98629	1.0
117.95961	0.7
117.97752	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
119.98949	0.1
145.84364	0.1
151.56352	0.1
169.44852	0.1
182.39574	0.1
395.11649	0.1
396.12396	0.4
397.12909	0.8
398.13846	0.3
399.14612	0.2
409.13303	0.2
410.13721	1.2
411.14566	3.1
412.15356	2.2
413.16104	0.8
422.13995	0.1
423.10065	0.2
423.15311	0.9
424.11505	1.0
424.15570	1.2
425.16278	6.1
426.16956	4.1
427.17627	0.7
428.18622	0.5
429.15329	0.1
435.14691	0.1
436.15558	0.2
437.11938	0.3
437.16306	0.6
438.13263	1.3
438.17657	0.6
439.13391	5.8
439.19049	0.6
440.19101	2.6
441.19330	19.8
442.19702	1.0
443.17261	0.1
444.18536	0.1
449.16422	0.1
450.12457	0.1
451.13593	0.4
451.17929	0.5
452.14276	2.0
453.15280	7.0
454.16119	2.0
456.18549	0.2
457.14771	0.4
458.16077	0.3
463.13757	0.6
464.15009	0.2
465.15564	0.6
466.12891	0.7
466.18372	0.2
467.17249	18.2
468.17914	7.0
469.18878	9.7
470.13077	0.1
470.18958	0.6
471.16998	0.3
472.17557	0.2
476.15887	0.1
478.16302	0.3
479.17120	0.3
480.17712	0.4
481.14920	14.5
482.15494	2.9
483.15448	0.3
484.13095	0.1
485.19058	0.3
486.18936	0.1
487.19742	0.1
493.15430	0.2
494.16440	0.4
495.16260	4.6
496.17258	10.1
497.18173	2.5
498.19791	0.4
499.15143	0.2
499.20026	0.3
500.16409	0.1
500.20847	0.1
508.19769	0.6
509.18271	1.5
510.20236	0.3
511.20114	0.2
512.20996	0.5
513.20917	0.3
514.22742	1.1
515.19257	0.1
522.17798	0.7
523.19843	1.3
524.20593	0.3
525.18103	0.2
527.23450	1.7
528.18665	0.1
536.19348	0.2
537.19373	0.5
538.20343	0.2
539.19244	0.3
540.19855	0.4
541.20294	0.1
542.21759	0.7
545.24194	0.1
551.19403	0.3
554.21167	0.1
555.22461	12.9
556.22699	0.8
567.19135	0.1
568.19214	0.5
573.23279	0.3
583.21912	100.0
584.22198	5.9
586.20715	0.3
587.25031	0.5
596.25140	0.1
600.22046	0.1
611.21423	2.3
612.22137	0.1
614.23553	0.3
615.24554	4.3
616.24664	0.2
628.20862	0.1
642.23242	3.9
643.23969	52.6
644.24207	2.9
663.99786	0.1
1116.78979	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	112.0874
Annotation	Histamine
Peak:m/z	Relative Intensity
56.96571	0.5
68.05034	3.0
69.03426	0.9
69.04558	1.7
69.81519	0.4
69.81929	0.6
70.06599	100.0
71.06924	0.4
74.44952	0.2
78.03471	1.1
82.05344	0.4
83.05661	0.8
83.06116	2.0
84.06009	0.2
84.06431	1.2
84.08154	0.9
84.40012	0.2
85.07700	1.0
88.02352	0.6
94.04056	0.9
95.02462	5.9
95.06100	26.7
96.04500	4.7
97.41843	0.2
98.21443	0.2
98.97580	0.2
100.02510	0.2
112.05109	32.5
112.05879	2.1
112.07613	2.3
112.08740	17.3
112.11279	0.9
112.89594	1.3
113.05474	0.3
132.57845	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05484	5.9
80.05022	2.1
81.03412	10.2
81.05791	2.6
81.07065	4.1
82.06567	3.1
84.04473	2.1
84.08154	4.7
85.02911	10.5
86.09695	2.6
89.03911	3.2
91.05481	9.0
93.05808	3.6
93.07046	9.1
94.06577	15.4
95.04961	4.8
95.07397	4.0
96.08153	19.0
97.02892	9.6
103.05495	5.4
106.06565	11.8
107.07332	5.9
108.02143	2.5
108.04476	3.3
108.08136	54.9
109.02905	5.2
110.07195	2.8
110.09709	21.1
116.04977	4.1
118.06508	3.6
120.04465	8.0
120.08109	34.1
121.06556	3.3
122.06047	21.9
122.09668	11.0
124.07621	15.9
127.03929	5.0
130.06535	2.7
132.08090	7.0
134.06064	9.0
134.09657	3.3
136.07582	52.0
137.05992	4.7
137.08469	3.7
138.09154	50.2
144.04469	10.1
144.08150	4.5
145.93733	2.5
146.06013	17.0
147.04446	3.7
147.54951	2.6
148.07588	32.3
150.05449	3.0
150.09132	20.7
151.03920	53.8
151.05067	3.3
152.07080	31.3
158.06050	2.4
158.09685	2.6
160.03976	6.7
160.07573	4.9
162.05524	9.6
162.09145	5.0
164.07068	13.0
166.08661	68.4
167.07079	4.0
168.10223	2.9
169.04968	3.2
172.03958	48.0
174.05403	3.0
174.09140	6.7
176.07089	5.2
178.08626	2.5
180.10278	3.6
181.04991	3.5
182.09676	3.1
190.05000	32.0
190.06548	3.1
190.10796	2.3
191.07098	4.6
192.10268	3.5
194.08263	2.5
197.10739	6.1
198.09065	2.8
198.11551	7.2
199.12344	3.1
202.08664	2.9
204.06554	51.8
208.09802	7.9
209.10794	5.1
210.11592	7.1
211.12315	22.3
212.13017	6.1
213.10249	4.3
214.08629	2.6
218.08160	2.3
221.10753	4.8
223.08580	2.8
223.12321	10.3
224.13062	4.3
225.10217	24.0
225.13927	5.8
226.08876	2.4
226.10977	10.6
227.11807	19.8
229.13354	3.5
233.10678	3.2
235.08736	4.9
235.12221	6.2
236.09412	6.3
236.13007	2.6
237.10217	22.1
237.13756	5.2
238.11002	15.1
239.11800	48.4
240.12495	10.2
241.13382	6.5
244.09766	3.9
244.12202	2.4
245.12845	3.0
248.09395	4.8
249.10312	15.3
250.10985	17.9
251.08060	3.9
251.11813	69.4
252.08980	6.9
252.12645	14.6
253.09692	8.0
253.13387	21.6
254.10757	3.0
254.14125	4.1
255.11302	10.2
257.12973	3.1
261.10275	3.7
262.11008	6.6
263.08813	3.5
263.11792	39.6
264.08972	7.0
264.12543	10.0
265.09854	21.8
265.13315	24.5
266.10501	16.8
266.13998	6.2
267.11340	61.9
268.11920	5.5
269.12967	11.9
271.10809	6.2
271.14539	7.1
273.12415	5.8
274.10611	4.6
275.11719	6.4
276.12430	3.2
277.09747	11.7
277.13358	6.2
278.10498	20.5
278.13339	2.9
279.11288	82.8
280.12033	14.8
281.12845	25.9
283.10757	8.0
284.11630	6.7
285.12402	31.9
287.14188	2.8
291.11304	30.6
292.11890	15.7
293.09561	4.4
293.12888	25.1
294.13452	3.9
295.10840	11.7
295.14276	5.3
296.11481	5.6
297.12402	41.3
297.15622	2.5
298.13071	4.7
299.13892	19.0
304.12274	2.8
305.12540	2.7
307.10922	13.8
308.11432	2.6
309.12436	17.8
310.12930	20.8
311.10248	6.1
311.13861	20.9
312.10730	2.7
312.14667	4.1
313.11853	2.8
317.12866	2.8
318.09979	4.2
319.10825	22.1
319.14218	3.8
320.11472	3.0
321.12469	19.2
322.13116	6.8
323.10294	12.2
323.13995	6.2
325.11838	20.1
325.15320	3.5
327.13568	13.1
328.14426	2.8
331.16837	3.6
335.13672	3.5
336.10901	3.7
337.11826	14.7
338.12439	3.3
339.13394	12.5
341.15073	3.5
344.17816	3.5
349.11719	2.7
351.13602	3.5
353.15186	5.1
355.12610	3.5
356.13486	3.9
357.14548	21.6
358.15491	5.1
359.15802	4.4
367.12897	4.2
369.14514	8.6
370.15369	4.4
372.17126	5.9
376.20337	5.3
377.15051	4.7
379.12894	3.0
381.14459	6.4
382.15704	2.6
386.18930	3.4
387.15485	3.1
390.18250	3.4
393.14355	6.8
394.15085	2.6
395.16037	3.8
397.17783	5.7
399.15652	4.5
400.16589	7.0
401.16879	3.3
402.18237	4.2
404.19815	7.2
405.14600	3.9
407.15930	9.1
409.13620	5.4
410.14557	4.3
411.15475	16.3
412.16440	4.2
413.17325	4.0
414.17984	3.8
415.18954	5.3
417.14603	3.5
418.17468	6.3
419.16171	4.6
423.15579	8.8
424.16818	3.8
425.17282	4.2
427.14786	4.1
429.16730	19.8
430.17593	15.5
431.18082	4.4
432.19208	6.3
433.13831	3.8
433.19501	4.9
435.15680	9.7
437.17584	5.1
439.15179	8.4
441.16650	22.2
442.17068	5.5
443.17706	4.3
446.20734	5.1
451.14941	9.0
453.16556	17.7
454.17133	3.3
463.15143	13.3
465.16556	5.3
469.16028	20.7
471.17517	6.7
472.18430	5.6
478.16769	3.4
481.16101	37.8
483.17410	10.9
487.17035	7.9
490.19739	5.4
499.16739	4.1
502.19333	3.1
530.22845	4.5
556.20728	6.7
566.24677	3.4
568.20941	4.1
570.22131	5.1
572.23895	7.0
574.21826	14.2
586.21686	5.9
590.24860	5.8
592.22894	22.2
593.23901	6.2
594.24188	8.7
598.21954	5.8
604.22729	14.8
606.24426	7.3
609.20709	3.7
616.23108	11.9
620.22540	5.6
624.25464	5.8
634.24060	65.1
635.23999	5.3
636.25281	8.3
649.19684	6.1
655.27539	7.2
666.26465	13.5
676.23370	3.0
693.28522	6.1
695.30322	9.3
703.27435	6.4
711.29828	4.9
713.31616	5.2
721.16931	4.2
721.28662	55.5
734.29193	5.2
739.29736	48.4
740.29065	5.3
753.31140	4.7
756.29620	4.7
757.30811	100.0
758.30658	8.9
760.26746	9.8
762.28802	4.9
771.32556	3.2
772.27112	7.7
778.27563	7.5
784.27441	3.8
786.29144	4.2
789.33313	13.3
792.29944	4.3
796.29224	52.0
797.29535	7.4
798.30804	4.0
802.28290	45.4
803.28046	5.3
804.28711	6.8
828.32080	14.8
834.31262	13.0
835.31024	4.6
865.32843	4.6
883.33960	23.2
901.34412	9.6
907.33093	9.8
915.35028	3.8
919.36230	34.8
920.34711	4.2
924.33154	6.4
925.34882	53.4
926.34540	3.0
951.37616	10.4
957.37061	10.7
964.33533	53.3
965.33765	15.7
966.33783	6.8
996.36243	18.0
997.35974	9.3
1087.40527	35.0
1113.23572	3.5
1119.41541	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	1119.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	6.1
79.70990	1.7
80.05021	2.0
81.03402	9.1
81.05776	2.1
84.08146	5.5
85.02898	10.3
86.09704	2.3
89.03894	4.1
91.05478	7.6
93.03406	1.8
93.05769	3.9
93.07031	7.6
94.06566	16.5
95.04950	3.4
95.07342	7.0
95.28671	1.9
96.08134	15.9
97.02890	6.0
103.05502	3.1
106.06552	9.1
107.05007	1.9
107.07340	4.1
108.02097	2.4
108.04472	3.8
108.07429	3.9
108.08128	49.3
109.02894	5.8
110.09700	29.0
115.11244	1.9
116.04986	4.4
117.03368	2.2
118.06546	3.0
120.04485	6.6
120.08121	30.5
120.69874	2.0
121.06509	3.3
122.06050	17.8
122.09663	8.9
124.07586	9.3
127.03937	5.7
129.10248	4.6
132.08139	3.6
134.06006	8.0
136.07591	48.0
137.05984	5.3
137.08308	2.9
138.05496	1.9
138.09152	43.1
139.09488	2.2
144.04414	7.9
145.99557	2.1
146.06020	10.8
146.09654	2.7
148.07579	33.7
150.05540	3.3
150.09148	17.9
151.03923	46.7
151.05064	5.2
152.07086	29.1
160.03935	4.6
160.07573	9.5
162.05530	5.8
162.09154	4.6
164.07092	10.8
166.08652	64.4
167.07103	2.5
172.03952	41.6
174.05525	7.3
174.09177	6.0
176.07071	6.2
177.05472	2.8
178.08684	2.4
181.05051	2.9
183.08989	2.2
184.09897	2.9
190.04984	26.1
191.07063	4.3
192.10194	2.2
194.08113	3.2
197.10786	4.9
198.11566	6.2
199.12317	3.9
200.07098	2.2
202.08598	2.4
204.06581	52.9
208.09720	8.0
209.10645	3.5
210.11476	4.0
211.08803	2.9
211.12325	17.3
212.13046	4.6
213.10249	3.8
213.13861	4.7
218.08206	2.0
222.11459	3.9
223.08672	4.8
223.12262	10.1
225.10219	19.0
225.13892	7.3
226.11017	8.1
227.11797	17.6
228.06586	3.3
229.09773	3.2
229.13458	4.3
232.09816	3.0
235.08656	3.3
235.12369	5.8
236.09402	7.9
236.12978	3.2
237.10228	21.0
238.10867	10.4
239.11792	40.8
240.12482	12.3
241.13429	6.6
245.12802	2.8
248.09468	2.5
249.10286	17.0
250.11006	11.8
251.08099	3.1
251.08755	2.9
251.11815	58.2
252.09068	4.9
252.12578	15.1
253.09744	7.4
253.13428	23.9
254.14079	3.4
255.11317	11.2
257.12753	4.2
261.10410	3.5
262.11032	4.6
263.08005	2.7
263.11829	31.7
264.09015	4.2
264.12527	11.3
265.09744	18.7
265.13358	24.0
266.10486	14.1
266.14108	7.9
267.11310	62.9
268.11932	8.1
269.12814	9.4
271.10822	4.1
271.14432	5.8
273.12256	6.2
274.10797	6.9
275.11798	7.6
276.12366	5.4
277.09769	12.5
277.13364	7.0
278.10522	15.3
278.13287	2.2
279.11307	75.2
279.14426	4.2
280.11990	12.8
281.12796	22.3
283.10873	4.1
283.14407	4.4
284.11578	6.2
285.12357	31.5
291.11282	33.1
292.12085	14.8
293.09274	5.7
293.12781	25.8
295.10703	8.6
295.13934	2.8
296.11459	6.1
297.12369	38.2
298.13138	4.6
299.13992	14.5
305.12906	3.2
307.10703	13.1
309.12354	16.9
310.12851	23.6
311.10312	5.0
311.13815	26.2
313.15466	5.0
314.16531	2.4
315.13547	2.5
317.12766	2.9
319.10788	22.2
321.12369	15.0
322.13043	5.1
323.10233	9.7
323.13684	4.4
325.11826	23.1
327.13547	11.2
330.15878	3.5
332.17474	2.9
333.12479	2.7
335.13831	2.9
337.11740	18.8
339.13461	13.0
340.13837	2.4
341.15335	4.2
346.19156	2.5
351.13364	6.1
353.14960	5.1
357.14542	18.4
358.15335	3.4
359.15555	2.1
363.13327	2.7
364.13986	2.8
365.15234	2.9
367.12891	2.3
368.13782	2.4
369.14322	10.3
370.15475	3.7
371.15671	2.3
372.17099	3.0
376.20224	4.2
377.15112	3.2
379.12717	3.5
381.14481	5.7
383.16080	4.4
384.12976	3.1
384.17307	3.5
386.18866	2.8
388.16583	3.2
389.15317	2.8
393.14471	7.9
395.16150	6.2
397.17966	5.0
399.15518	4.8
400.16434	10.3
402.17688	3.1
403.18332	2.2
404.19717	9.0
405.14352	2.6
407.16071	4.8
409.13461	3.1
410.14551	3.7
411.15405	17.8
412.16467	5.4
413.17163	3.4
414.18051	4.2
415.18607	5.4
419.16235	3.8
423.15753	9.6
425.17139	6.4
427.14868	3.8
428.15253	2.7
429.16840	14.2
430.17599	13.7
432.19247	5.6
433.13895	3.0
433.19540	3.7
435.15433	9.1
437.17307	4.0
439.14975	6.0
441.16531	17.3
442.17249	7.3
443.18048	3.1
444.19293	3.8
446.21152	2.8
447.15472	2.9
448.18570	2.9
450.20227	4.2
451.15018	7.7
453.16589	14.5
455.18646	3.9
460.18353	3.5
463.14853	8.9
465.16599	5.6
467.14313	4.4
469.16064	15.9
471.17590	5.5
472.18365	5.6
474.20267	2.7
478.17178	4.7
481.16119	42.9
483.17456	7.9
487.16846	5.2
490.19608	3.8
492.21429	2.5
530.22491	4.1
548.24268	3.3
554.22870	3.0
556.20557	10.0
558.21686	3.4
564.23474	2.6
566.25433	4.1
568.20807	5.1
572.23578	6.2
574.21863	15.4
576.23560	4.2
586.21765	5.9
588.23212	5.9
590.24463	4.6
592.22949	19.9
593.23523	4.4
594.24670	10.6
598.21399	5.7
604.22919	13.3
606.24628	4.2
609.20367	2.6
616.22876	14.3
618.24432	4.8
620.22473	3.8
621.22058	4.1
632.21643	3.0
634.24078	56.1
635.24371	5.0
636.25275	7.9
655.27081	6.7
666.26752	11.5
669.22711	3.0
675.27802	4.2
693.28473	6.0
695.30603	6.8
703.27112	6.4
711.30115	3.8
721.17145	3.3
721.28778	58.1
722.28961	4.1
734.29053	6.5
739.29901	44.0
753.31232	5.2
757.30762	100.0
758.29858	8.6
760.27393	12.1
762.28943	4.7
772.26904	7.0
778.27094	6.8
780.29144	3.6
784.26422	4.3
786.28949	3.0
789.33710	12.7
792.29297	2.9
796.29236	51.8
797.29004	6.9
802.28143	39.1
803.28046	4.3
804.28894	6.3
828.31659	9.6
834.31049	13.8
835.31122	3.0
847.33118	2.8
857.34521	3.6
865.32648	3.1
883.33954	19.9
901.33594	7.6
907.32800	7.4
919.21442	2.5
919.36255	31.0
920.34460	4.6
923.32794	3.8
924.33276	7.0
925.35132	46.8
926.34503	3.7
951.37787	4.8
957.37744	12.4
964.33435	52.9
965.33545	14.1
966.33447	7.5
996.36676	19.8
997.35291	7.9
1087.40503	36.4
1119.16602	3.1
1119.41418	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	1114.414
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05489	0.4
81.03423	7.6
83.04979	0.4
85.02912	1.3
90.04683	0.3
91.05457	1.4
93.03403	0.8
95.04978	0.7
97.02911	0.6
98.20798	0.6
103.05448	0.4
105.03403	0.6
105.07053	0.5
107.04958	2.1
108.05736	0.5
109.02904	1.5
115.05487	1.4
117.07024	0.9
119.04966	0.6
121.02871	0.9
121.06495	0.7
123.04436	1.0
127.03958	0.3
128.06223	0.9
129.07059	1.6
130.07733	0.4
131.04933	2.5
131.08540	0.9
133.02870	2.7
133.06483	0.7
135.04433	2.7
136.05229	1.8
136.25699	0.3
137.02406	1.7
137.05943	0.6
138.03166	0.3
138.06764	0.3
139.03908	1.6
139.07527	0.9
141.06969	0.4
143.04924	0.6
143.08566	0.4
144.05724	0.5
145.06485	2.4
146.07306	1.3
147.04378	1.7
149.02379	0.3
151.03923	47.4
151.07553	76.0
152.04279	0.4
152.07877	1.1
156.05798	0.4
157.06497	5.9
158.07281	7.9
159.04417	4.6
159.08072	2.3
160.05180	0.4
160.08768	0.7
161.05992	4.4
162.06778	0.3
163.03970	2.1
165.01790	0.5
165.05484	3.0
167.03427	1.8
171.04401	0.5
171.08083	1.1
172.08842	4.1
173.05971	3.3
173.09531	0.4
174.06776	12.8
175.03926	2.5
175.07584	1.6
176.08298	1.1
177.05461	0.8
177.09143	2.7
179.06972	0.4
185.05971	0.8
186.06775	3.0
187.07541	4.1
188.04701	0.4
188.08347	5.8
189.05547	5.0
189.09120	37.2
190.07803	0.3
190.09442	0.5
191.10666	1.1
193.05003	0.5
199.07573	0.7
200.08237	0.7
201.05589	5.4
201.09122	89.4
202.09889	15.1
203.07030	1.0
203.10677	10.2
203.12608	0.5
206.07285	0.5
207.08026	0.6
209.09688	0.5
213.09143	1.3
214.09874	0.9
215.10753	0.4
216.07808	0.4
217.08650	1.0
218.07439	0.4
219.06804	2.9
219.10168	24.2
220.10550	0.5
221.09738	0.5
222.10414	0.4
223.07512	0.4
225.09254	0.3
231.06445	0.8
231.10176	20.0
232.08827	0.3
232.10898	1.0
233.09540	0.7
234.06714	1.0
234.10468	0.4
235.07559	1.6
236.08191	0.3
238.09866	0.6
239.10643	0.6
241.08575	0.5
246.06755	0.5
247.07596	1.6
248.08295	0.6
249.07344	8.5
249.11266	37.2
250.09903	0.9
251.07031	1.1
251.10672	0.4
253.12244	0.7
259.07541	0.7
260.08267	0.6
261.09134	1.8
262.06241	0.7
262.09912	3.0
263.07089	3.1
263.09894	0.4
263.10410	0.3
264.07758	0.7
265.08499	0.5
265.12241	0.4
266.09384	0.4
268.07132	0.4
269.08231	0.5
275.06995	1.6
275.10626	0.7
276.07742	1.6
277.08591	6.5
278.09375	4.5
279.06964	1.3
279.10101	1.2
280.11060	0.3
281.08487	0.3
281.11667	1.0
283.06009	0.5
288.07843	0.6
289.08554	2.0
290.09402	4.8
291.06497	1.6
291.10135	1.1
292.07300	0.9
292.10730	0.6
293.08078	2.1
293.11758	3.9
294.08975	1.6
298.08398	2.0
299.09091	0.8
303.10260	0.6
304.07245	0.3
305.08121	3.0
306.08926	2.3
307.09601	3.3
308.10446	4.1
309.07596	1.3
309.11264	3.0
311.12784	0.3
319.09723	2.0
320.10440	4.7
321.07535	1.7
321.11136	8.6
322.11487	0.3
323.09082	0.7
323.12714	0.8
324.09946	3.5
325.10641	0.3
333.11240	0.5
335.09167	0.5
336.09909	2.4
338.11581	0.7
339.12286	12.3
340.12564	0.5
351.12308	22.8
352.12579	0.6
357.13519	0.4
369.13367	100.0
370.13724	2.7
387.14459	5.6
549.19507	0.6
640.13525	0.3
1057.49609	0.3
1097.92017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65645	0.7
53.00323	0.9
53.03938	1.7
55.05518	34.0
57.07068	1.2
57.93587	0.9
58.87494	0.6
67.05521	2.1
67.08274	0.7
68.05022	0.9
69.03423	0.7
69.07075	100.0
71.47359	0.6
71.52619	1.4
71.52990	0.7
72.97466	0.6
78.99968	1.0
83.04997	1.9
83.06104	1.1
84.47687	0.7
87.00478	1.1
87.50643	0.8
88.00491	37.3
88.50703	0.9
89.00274	1.8
91.05482	0.8
92.91837	0.6
93.29851	0.6
97.01017	16.3
98.00815	0.7
99.51278	11.1
106.01556	1.0
108.51829	0.8
110.15142	0.6
111.02078	1.5
111.04471	1.9
111.05585	2.2
111.06388	1.4
111.08121	1.7
111.09254	1.3
112.07619	0.9
115.96454	12.7
116.97253	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	111.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	25.2
56.05038	7.3
58.06588	10.2
68.05035	10.9
69.04562	4.2
69.06738	3.6
69.07072	100.0
70.06597	27.3
71.52965	4.6
82.05369	4.4
83.06120	20.7
88.00503	8.3
93.04500	5.1
94.02933	5.7
94.06577	6.6
95.06084	5.0
96.04497	3.6
97.01043	10.0
111.04430	8.3
111.05581	37.2
111.06403	14.5
111.08077	6.0
111.09212	54.7
111.09977	4.9
112.07596	4.5
112.08747	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	111.0809
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
55.01879	100.0
55.05313	1.0
55.05520	11.3
56.05021	1.5
56.96571	1.3
57.93557	1.8
58.72438	0.9
65.03930	1.5
67.05502	1.4
68.05037	7.4
69.03427	2.8
69.07060	3.6
69.70022	6.0
70.06599	1.7
76.51605	1.1
77.99920	2.0
78.50085	1.4
78.99942	5.6
81.07078	1.3
82.05336	5.5
83.04997	6.3
83.06103	4.5
83.06929	1.6
87.00002	1.1
87.00475	5.4
87.50634	7.1
88.00496	73.6
88.50652	2.4
89.00250	3.7
91.05499	2.4
93.03391	1.5
93.07048	3.2
94.02950	1.4
95.06088	3.5
97.01015	37.8
98.00800	2.2
98.21480	2.3
99.51288	6.7
106.01538	3.0
111.04450	16.3
111.05602	11.5
111.06391	2.5
111.08092	46.4
112.07595	3.3
112.08697	1.3
113.96403	3.2
115.95682	2.0
115.96456	23.9
116.97228	8.3
121.12460	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03953	2.1
55.05517	10.3
56.90318	0.7
57.33377	0.6
57.73503	0.6
65.03942	3.2
67.05511	100.0
68.05871	1.3
68.13338	0.8
69.07082	4.6
70.64769	2.0
74.99835	1.4
77.50098	1.3
77.99923	0.7
79.05495	7.0
80.06293	1.5
81.03439	2.8
81.07066	29.3
82.06583	0.8
86.00717	2.2
86.50632	4.2
87.00479	3.3
89.50731	0.9
91.05480	0.8
94.07849	1.1
98.01390	1.1
100.65223	0.7
104.36890	0.7
107.08595	4.0
109.02949	0.7
109.06538	3.5
109.07691	4.9
109.08550	1.3
109.10167	62.9
110.06044	4.6
112.96729	1.3
113.74184	0.7
113.96431	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1017
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02378	1.9
53.03955	41.5
55.01873	1.4
55.05523	7.4
65.03937	3.0
66.92734	1.0
67.05515	89.1
69.07076	4.3
71.43329	1.5
77.99943	0.9
79.05505	8.1
81.03431	100.0
81.07069	31.7
86.00710	3.0
86.50647	1.4
87.00474	6.5
91.05482	3.2
92.99816	0.9
94.04205	1.6
107.08617	3.8
109.02901	56.4
109.06543	10.2
109.07674	1.5
109.10172	52.8
109.84850	1.3
110.06036	2.7
113.96378	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	110.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	11.8
57.71432	1.0
67.55438	0.9
68.05036	1.2
69.96430	4.4
70.06559	1.3
74.99837	1.8
77.66912	1.1
77.99956	1.8
78.01938	3.0
81.04539	7.8
82.01460	3.2
82.05329	9.5
82.06583	2.8
83.06111	85.5
84.04489	1.4
86.50622	2.5
87.00467	6.4
87.02473	15.3
87.04273	1.8
88.00511	1.2
93.04537	51.4
95.09097	1.1
96.54000	2.2
100.02492	3.1
108.04790	2.6
109.03998	1.9
110.06084	13.5
110.07174	100.0
111.05569	10.8
113.96384	3.1
118.03606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0716
Annotation	Brunfelsamidine
Peak:m/z	Relative Intensity
56.05038	11.8
57.71432	1.0
67.55438	0.9
68.05036	1.2
69.96430	4.4
70.06559	1.3
74.99837	1.8
77.66912	1.1
77.99956	1.8
78.01938	3.0
81.04539	7.8
82.01460	3.2
82.05329	9.5
82.06583	2.8
83.06111	85.5
84.04489	1.4
86.50622	2.5
87.00467	6.4
87.02473	15.3
87.04273	1.8
88.00511	1.2
93.04537	51.4
95.09097	1.1
96.54000	2.2
100.02492	3.1
108.04790	2.6
109.03998	1.9
110.06084	13.5
110.07174	100.0
111.05569	10.8
113.96384	3.1
118.03606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03942	1.8
55.05519	8.1
65.03935	3.1
67.05511	100.0
69.07082	5.8
69.91371	3.2
79.05500	7.7
80.06284	1.0
81.03412	2.0
81.06586	1.9
81.07063	30.5
86.50652	1.1
87.00453	2.0
94.07797	1.1
107.08611	3.9
109.06544	2.5
109.07654	2.0
109.10168	67.5
110.06038	2.7
129.25609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03947	1.6
55.05308	0.8
55.05519	9.0
65.03940	4.1
66.67258	0.9
67.05510	100.0
68.05832	1.2
69.07087	4.9
69.24889	0.8
74.89754	0.9
79.05501	7.2
81.03429	2.3
81.07066	32.8
86.50626	2.4
91.05498	1.6
91.65908	0.8
94.07813	1.8
98.20743	2.1
107.08604	4.0
109.06544	6.4
109.07668	7.2
109.08469	2.1
109.10166	72.6
110.06044	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	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.05516	9.5
57.80769	0.6
65.03933	3.1
67.05508	100.0
68.05857	1.0
69.07070	5.6
69.28944	4.5
77.50128	1.3
77.99953	1.7
79.05495	6.3
80.06276	1.2
81.03425	2.3
81.07063	32.0
86.00710	2.6
86.50609	3.2
87.00472	2.9
91.05482	1.4
94.04197	0.9
94.07832	2.0
98.51234	0.8
104.41823	0.5
105.47984	0.5
107.08609	3.8
109.06544	3.4
109.07703	1.2
109.10163	60.0
110.06048	2.3
112.96710	1.4
113.96418	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	109.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19363	0.6
53.03957	1.5
54.27501	0.5
55.05517	8.8
55.35666	0.6
63.43298	0.5
65.03958	3.4
65.99299	0.6
67.05510	100.0
69.07072	5.1
71.06524	0.8
71.06848	0.7
74.99837	0.7
77.50101	1.1
77.99959	0.9
79.05505	5.9
80.06309	1.0
81.03429	1.8
81.07065	30.8
82.06560	0.7
86.00695	3.1
86.50619	5.3
87.00478	7.0
91.05509	0.8
94.04221	0.7
94.07814	0.8
98.01376	0.8
98.51253	1.9
107.08604	3.4
109.06512	2.8
109.07668	2.7
109.08509	2.1
109.10166	65.6
110.06039	3.8
111.96880	1.0
112.96705	2.1
113.96394	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	109.0653
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03956	4.8
55.01875	1.3
55.05511	2.9
56.99337	0.5
60.53435	0.4
65.03950	8.0
66.04718	0.7
67.05513	26.3
69.07076	1.1
71.52406	0.5
71.52812	0.5
74.99844	1.2
75.25153	0.5
77.00175	1.1
77.50101	0.8
77.99951	1.2
79.05502	12.7
80.06284	0.6
81.03430	6.4
81.07066	34.4
86.00714	6.5
86.50622	4.6
86.99992	0.9
87.00475	9.5
87.08219	0.4
91.05492	23.9
92.05806	0.6
94.04200	31.6
95.04991	0.5
96.00964	0.9
98.01397	0.5
98.51278	0.9
107.04974	17.6
107.08611	0.6
109.02908	2.4
109.06531	100.0
109.07719	2.5
109.10165	17.7
110.06059	2.5
110.06799	0.7
111.04453	2.4
111.96895	2.2
112.96725	1.2
113.96434	3.3
119.06107	2.8
121.04015	1.7
129.97964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03714	0.7
53.03955	10.2
55.01874	4.0
55.05522	3.2
65.03954	3.5
66.04726	1.2
67.05511	30.2
69.07070	1.8
70.47313	1.8
74.99821	0.6
75.16325	0.5
75.84984	0.5
77.50152	0.6
77.99959	1.1
79.05502	32.0
81.03427	14.3
81.07065	38.2
82.06595	0.6
83.55505	0.5
86.00707	5.5
86.50637	1.5
87.00478	5.2
91.05492	11.8
93.64442	0.5
94.04201	4.0
97.51488	0.5
99.56536	0.5
107.04968	1.4
107.08607	0.9
109.02893	4.6
109.06528	100.0
109.10168	19.9
110.06057	2.5
110.06886	1.4
111.29939	0.5
111.96877	1.5
113.96420	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03945	3.4
55.01877	1.2
55.05516	5.3
59.81657	0.8
65.03948	7.7
65.28429	0.7
67.05512	41.7
69.07056	2.1
69.87976	1.6
69.88363	1.7
74.99835	0.9
77.00195	1.0
77.99938	0.8
79.05070	1.2
79.05502	16.5
81.03421	3.4
81.07066	42.4
83.65303	0.6
86.00707	2.5
86.50608	4.7
87.00475	4.9
91.05492	27.3
94.04196	34.7
98.01399	1.0
107.04296	1.5
107.04969	15.4
107.08634	1.3
109.02906	1.8
109.06532	100.0
109.07607	5.2
109.08513	2.0
109.10169	27.7
109.10936	1.2
110.06060	4.0
110.06824	1.2
111.04490	2.4
112.96731	2.2
113.96427	1.6
119.06091	3.2
121.03983	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	109.0653
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03952	7.2
55.01878	3.9
55.05518	1.6
55.81805	0.6
65.03943	3.6
66.04720	0.8
67.05508	20.7
69.07064	1.4
71.52139	0.7
77.39676	0.6
77.99941	0.9
79.05499	29.4
81.02988	1.0
81.03423	11.4
81.07063	32.5
86.00698	2.1
86.50615	0.9
87.00474	2.6
88.26063	0.5
91.05486	8.6
94.04202	2.1
95.48453	0.6
96.86283	0.6
98.24586	0.6
107.04986	1.0
107.08630	0.7
109.02898	5.4
109.06525	100.0
109.10168	14.7
109.10915	0.7
110.06071	1.3
110.06781	0.7
113.96400	1.2
115.96566	0.6
129.14673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0289
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
51.02388	1.6
53.03954	43.3
55.01889	2.0
55.05521	3.7
65.03947	1.0
66.11249	0.7
67.05513	36.7
69.07069	1.6
71.52627	0.9
79.05495	4.9
81.03429	100.0
81.07069	13.2
86.00700	1.8
86.50610	1.0
87.00476	2.2
91.05487	1.6
94.04186	1.5
105.27573	0.6
107.08630	1.4
109.02894	53.5
109.06537	6.2
109.07667	1.4
109.10166	24.9
110.06054	1.0
113.96429	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02364	0.4
53.03941	1.3
55.01875	0.8
55.05513	2.9
65.03943	8.3
66.04707	0.4
67.05508	40.9
67.93558	0.3
69.07081	1.8
70.19621	1.1
74.99821	0.5
77.00166	0.7
77.50113	0.7
77.99960	1.0
79.05498	12.3
80.06283	0.6
81.03423	1.6
81.07060	39.2
86.00703	3.4
86.50620	2.3
87.00471	4.1
89.68366	0.4
91.05487	25.6
91.81644	0.3
94.04192	33.2
94.07809	0.4
95.51147	0.4
96.00986	0.5
97.51478	0.6
98.51240	0.7
107.04961	15.5
107.08618	1.5
109.06523	100.0
109.10161	23.2
110.06065	1.2
110.06818	0.7
111.04478	2.6
111.96896	1.4
112.96723	0.9
113.96426	2.2
119.06056	3.2
121.04002	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	109.0653
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.64948	0.7
53.00010	0.5
53.03954	11.2
55.01882	5.1
55.05507	2.3
58.47810	0.5
62.22545	0.5
65.03942	3.6
66.04739	0.6
67.05512	28.0
69.07069	1.2
70.64639	1.0
74.99832	0.8
77.00167	1.0
77.99928	1.2
79.05502	30.5
81.03427	14.0
81.07063	37.4
86.00716	4.4
86.50626	1.6
87.00458	5.5
91.05484	11.8
94.04187	3.3
95.04993	0.6
98.51251	0.6
107.04976	1.1
107.08601	0.9
109.02895	4.5
109.06528	100.0
109.07712	2.8
109.10171	18.3
109.10940	0.9
110.06045	2.6
111.96912	1.5
113.96407	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
122.57858	0.2
136.06180	0.3
153.73624	0.2
241.74452	0.2
243.78915	0.2
253.92160	0.2
327.55444	0.2
335.25589	0.2
396.12070	0.4
397.13077	0.4
399.14633	0.2
409.13126	0.3
410.13916	1.1
411.14499	2.4
412.15350	1.9
413.15985	1.3
414.83453	0.2
421.30014	0.2
423.14487	0.8
424.10193	0.3
424.15875	1.8
425.16238	5.3
426.16916	3.9
427.17545	1.6
428.18478	0.7
437.11740	1.0
438.13184	2.1
439.13431	7.4
439.19019	0.3
440.19189	3.0
441.19345	17.3
442.19641	1.7
451.14163	1.1
452.14334	2.5
453.15274	8.4
454.15875	2.4
456.13165	0.3
457.14569	0.3
463.14441	0.4
464.14484	0.3
465.15442	0.3
466.16345	0.7
467.17242	15.1
468.17859	8.7
468.53015	0.2
469.18988	7.0
470.19901	1.0
471.16623	0.4
472.17450	0.4
477.16223	0.2
478.15631	0.6
479.17194	0.4
480.13507	1.1
481.14835	10.5
482.15353	2.8
483.16522	0.6
484.16843	0.3
485.18872	0.4
494.16171	0.5
495.16574	16.3
496.17017	24.6
497.17770	2.8
498.15445	0.4
499.19812	0.6
500.20541	0.3
508.18491	0.4
509.18073	1.1
510.19702	0.3
512.20404	0.6
513.17297	0.4
514.23492	1.1
522.18146	0.7
523.19586	0.7
524.16882	0.3
525.17706	0.6
526.17828	0.2
527.22687	1.7
528.18951	1.1
536.19592	1.0
537.19415	1.9
538.18341	0.5
539.19470	0.5
540.19922	0.3
541.20856	0.2
542.21954	0.6
551.19391	0.3
555.22461	15.8
556.22986	1.4
567.18689	0.4
568.19373	1.0
582.20947	0.4
583.21954	49.0
584.22168	5.4
585.21942	0.3
586.20770	0.6
587.25195	0.9
599.21344	0.3
600.22009	0.5
610.20654	0.3
611.21124	1.9
614.23199	0.5
615.24500	3.4
628.21271	0.3
642.23273	19.5
643.23871	100.0
644.24054	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	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47760	0.6
53.03940	1.1
55.01865	1.4
55.86133	0.6
62.07169	0.5
65.03948	12.3
67.05514	2.8
71.04991	1.0
79.05503	11.9
91.05489	100.0
92.06270	2.2
95.04963	1.7
105.07042	33.6
106.04187	1.7
107.04971	8.2
107.08602	50.8
108.08121	0.7
108.08941	0.9
109.05799	1.1
109.06524	13.6
111.89276	0.6
119.06077	11.1
124.05227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
84.85201	0.3
103.59592	0.3
258.12280	0.3
396.12042	0.4
397.12857	1.3
398.13608	0.6
408.11386	0.3
409.12857	0.5
410.13681	1.9
411.14520	3.8
412.15469	2.4
413.16016	1.6
423.14661	1.0
424.11166	1.0
424.16312	1.9
425.16275	7.5
426.16882	5.9
427.17459	1.3
428.18338	0.8
437.11536	0.4
437.16632	0.7
438.13025	1.3
438.17435	1.0
439.13550	10.1
440.13525	0.6
440.19089	3.9
441.19348	23.6
442.19757	1.4
451.18039	0.7
452.14252	2.8
453.15359	11.1
454.16196	3.2
455.21307	0.4
457.14960	0.4
458.15833	0.4
463.14172	0.6
465.15405	0.5
466.12173	0.5
467.17249	20.2
468.17871	9.4
469.18845	10.5
470.19220	0.6
471.17108	0.4
479.16754	0.3
480.17557	0.5
481.14917	15.6
482.15433	3.0
485.18314	0.6
494.17307	0.4
495.16266	4.8
496.17197	13.1
497.18167	3.5
499.19965	0.4
500.17105	0.4
508.19708	0.7
509.18329	2.7
510.19449	0.4
512.20880	1.5
513.22125	0.4
514.22827	1.8
522.17938	0.5
523.20135	1.4
524.20319	0.5
527.23456	2.3
537.19366	0.4
540.19971	0.5
542.21680	1.2
555.22467	20.6
556.22736	1.0
568.19525	0.5
583.21936	100.0
584.22125	6.7
586.20630	0.5
587.24939	1.1
611.21320	2.1
614.23724	0.7
615.24567	5.3
642.23248	5.2
643.23999	91.4
644.24225	5.8
844.84332	0.3
882.22174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65369	0.6
53.03956	4.1
57.04866	0.6
62.99078	2.6
65.03947	11.9
67.05517	3.2
70.04169	1.9
72.88726	0.6
77.03922	1.0
78.63562	0.5
79.05501	31.7
80.05051	0.7
87.16263	0.6
91.05489	100.0
92.06270	2.6
92.92108	0.5
95.04989	5.0
105.04511	2.0
105.07041	36.0
106.04197	0.8
107.04212	1.1
107.04964	39.8
107.08604	54.0
108.04415	0.6
108.08117	2.9
109.06532	13.6
118.43498	0.7
119.06076	10.8
124.05231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.11047	1.1
53.03945	5.0
60.42865	1.0
62.34452	1.2
62.99074	2.2
65.03949	10.5
67.05513	4.4
71.52658	1.3
71.53022	1.4
72.20471	1.1
79.05499	32.9
80.81773	1.1
91.05491	100.0
92.06280	2.5
93.05778	1.5
95.04974	4.8
105.04539	2.9
105.07047	33.2
106.04165	1.4
107.04222	1.7
107.04968	50.8
107.08607	51.3
108.04536	1.8
108.08118	5.8
109.06531	13.5
119.06060	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03959	1.4
55.01873	0.7
56.42246	0.6
62.99086	1.1
65.03949	10.1
66.70518	0.6
67.05521	3.6
69.76177	2.7
77.03895	0.8
79.05498	16.2
91.05489	100.0
92.06290	1.8
92.80303	0.6
92.83935	0.6
95.04982	2.3
96.78464	0.6
103.05460	0.6
105.04517	1.2
105.07040	36.2
106.04178	0.9
107.04973	10.0
107.08603	54.4
108.08878	0.7
109.06528	12.6
119.06072	10.4
124.05233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03954	4.6
55.01872	2.3
62.99080	3.3
65.03947	11.7
67.05514	2.5
69.84473	1.0
69.84772	3.2
77.03935	0.8
79.05502	23.3
80.05029	0.7
84.01575	1.5
89.46339	0.6
91.05490	100.0
92.06256	2.2
95.04990	5.4
105.04556	3.3
105.07038	32.6
106.04195	0.9
107.04199	1.3
107.04964	52.2
107.08604	54.9
108.08129	2.8
108.08836	0.8
109.06529	13.4
113.90701	0.8
119.06071	10.8
124.05202	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.01858	0.9
62.99085	1.6
63.95462	0.6
64.81564	0.7
65.03950	10.5
66.07684	0.6
67.05507	3.0
68.99113	0.6
70.62861	0.6
70.84727	1.0
70.85034	0.8
72.13953	0.6
73.69177	0.6
77.03931	1.0
79.05501	16.8
91.05489	100.0
92.06296	2.3
95.04971	2.2
105.04540	1.1
105.07043	34.3
106.04208	1.9
107.04977	15.1
107.08605	55.9
108.08150	0.8
108.08909	0.8
109.06527	12.1
119.06082	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03949	1.1
58.66310	0.5
65.03947	11.5
67.05517	3.3
68.59753	0.5
70.87526	0.6
70.87864	1.1
77.51786	0.6
79.05502	14.2
91.05488	100.0
92.06277	2.6
95.04962	1.4
100.11890	0.5
105.04492	1.0
105.07040	36.2
106.04177	1.6
107.04975	4.3
107.08601	56.1
109.06519	12.3
119.06075	11.8
124.05204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03945	1.1
55.01874	0.8
62.99084	1.4
65.03941	12.0
67.05509	2.3
69.47735	3.3
73.70555	0.4
77.03915	0.5
79.05497	14.4
91.05486	100.0
92.06293	3.0
95.04962	1.5
99.75639	0.4
105.04535	0.7
105.07037	32.9
106.04191	0.9
106.07310	0.5
107.04951	8.7
107.08598	53.4
108.08913	0.7
109.05796	0.9
109.06520	13.1
119.06076	10.7
124.05219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0861
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02383	0.9
53.03954	3.8
53.24233	0.4
55.01874	1.4
62.99077	2.6
65.03949	11.5
65.21964	0.5
67.05507	3.0
70.09771	1.5
72.49409	0.4
77.03932	0.9
79.05119	0.4
79.05502	20.4
91.05492	100.0
92.06285	2.9
95.04990	4.3
105.04558	2.4
105.07044	34.8
106.04190	1.4
107.04971	55.0
107.08607	58.5
108.08138	1.0
109.06533	13.8
112.70417	0.4
116.16342	0.5
119.06081	12.5
119.06905	0.9
122.40946	0.5
124.05246	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02384	0.9
53.03947	3.3
54.32896	0.5
55.01868	1.7
56.96558	1.4
61.04862	1.1
62.99076	2.9
65.03944	10.3
67.05514	3.2
71.03580	0.8
75.01072	0.6
75.90778	0.5
77.03934	0.6
79.05501	18.3
80.05038	0.6
84.01587	1.4
91.05489	100.0
92.06282	2.6
92.87875	0.5
95.04971	2.8
97.35802	0.5
105.04504	1.6
105.07038	33.4
106.04195	1.3
107.04965	24.7
107.08603	52.1
108.04527	0.6
108.08114	2.1
109.06522	13.5
119.06080	12.1
124.05271	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48639	1.1
53.03946	9.1
56.96555	1.9
61.04869	2.1
62.99067	4.8
65.03944	8.8
67.05499	2.8
71.33234	1.4
71.52213	1.5
79.05502	29.3
80.05015	1.6
81.03437	1.7
82.79124	1.1
84.01573	1.4
91.05492	100.0
92.06287	1.7
95.04986	7.4
95.16967	1.3
105.04508	4.6
105.07038	31.6
105.11098	1.3
106.59346	1.2
107.04964	71.3
107.06949	2.2
107.08604	51.6
107.42540	1.3
108.08131	4.8
109.06541	10.1
119.06058	8.7
124.05228	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03939	3.1
56.25775	1.1
58.14455	1.0
60.04526	1.4
65.03946	13.3
67.05492	4.3
71.00541	2.4
74.17768	1.2
74.28792	1.2
76.66919	1.2
79.05500	22.1
80.41314	1.5
91.05491	100.0
92.06302	2.0
95.04963	3.0
105.04591	1.5
105.07043	37.7
106.04165	1.3
107.04226	1.5
107.04438	0.8
107.04962	36.6
107.08604	54.1
108.04464	1.6
108.08133	4.8
109.06516	12.9
115.65331	1.2
119.06076	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	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02380	0.9
53.03953	7.4
55.01874	1.4
64.64658	0.3
65.03936	1.0
67.05503	0.3
71.52178	0.2
76.28808	0.2
77.03937	2.0
79.05501	13.1
81.03418	1.0
91.05492	7.0
95.04980	6.7
105.04522	3.3
105.07047	2.2
106.06547	0.4
107.04964	100.0
107.08590	3.3
108.05295	0.7
108.08122	0.5
109.06543	0.6
119.06088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05486	7.2
80.05009	3.0
81.03423	10.2
81.05798	2.0
81.07051	1.6
82.06569	2.2
83.05020	1.5
84.08120	1.2
85.02916	9.6
87.04454	1.7
89.03909	2.4
91.05482	6.8
93.05785	3.1
93.07051	8.9
94.06571	15.6
95.04958	3.0
95.07368	7.1
96.08143	20.9
97.02898	9.2
97.06512	1.7
98.21516	1.1
99.04452	2.0
103.05456	3.2
105.05795	1.4
106.06551	11.9
107.04943	1.5
107.07339	5.2
108.04495	6.1
108.08124	54.9
108.11571	1.0
109.02874	7.1
110.03650	2.5
110.06063	2.0
110.09690	28.7
111.04431	1.7
116.04978	6.2
118.06554	3.8
119.04938	1.1
120.04475	7.9
120.08115	29.4
121.06497	1.7
121.08936	1.4
122.06046	21.9
122.09676	10.8
123.04441	1.8
123.06766	1.5
124.07607	12.5
125.02331	1.4
127.03904	3.4
130.06508	1.3
131.07324	1.6
132.08107	4.0
134.06038	7.8
134.09656	5.4
135.04428	1.4
136.07590	54.2
137.08389	1.2
138.05460	1.8
138.09151	48.9
144.04475	10.2
144.08080	2.4
145.05048	1.6
146.06017	15.4
146.09616	1.1
148.07588	33.4
150.05540	1.7
150.09163	20.6
151.03906	1.3
152.07076	40.1
156.85622	1.1
158.06009	2.1
158.09589	2.1
160.03926	4.5
160.07591	8.2
162.05574	7.2
162.09131	4.2
164.07060	11.0
166.08652	81.2
168.10228	2.2
170.09612	1.5
172.03943	56.5
172.07538	3.4
174.05502	8.5
174.09126	5.1
176.07074	5.3
178.05020	2.3
178.08635	3.5
180.06517	1.3
180.10168	2.6
182.08231	1.6
182.09697	1.9
183.09184	1.9
184.07607	2.2
184.09938	2.3
185.10735	1.5
188.07089	3.3
190.05002	34.6
190.08617	1.9
192.06541	3.2
192.10168	1.4
194.08144	4.4
194.09715	1.0
195.09178	1.4
196.09856	1.7
197.10768	6.2
198.09198	2.0
198.11551	7.5
199.12318	5.8
200.07097	2.9
200.10770	1.3
202.08646	2.7
204.06578	66.8
208.09656	8.2
209.10785	4.2
210.09308	1.6
210.11481	6.6
211.08914	2.5
211.12320	18.6
212.09334	2.3
212.13049	3.7
213.10239	4.6
213.13844	3.3
214.08629	3.1
215.11868	1.2
216.10222	3.3
218.08145	2.2
220.09859	1.9
221.10751	3.1
222.07835	1.2
222.11478	3.5
223.08765	2.4
223.12268	9.9
224.09450	3.5
224.13026	2.6
225.10219	22.0
225.13792	6.6
226.11006	10.6
226.14514	1.4
227.11812	17.6
228.06552	1.9
229.09726	1.7
229.13348	3.7
230.08055	1.8
232.09827	2.7
233.10747	1.6
234.11288	1.3
235.08691	2.8
235.12314	5.9
236.09238	6.9
236.13072	2.8
237.10240	21.2
237.13904	4.2
238.10983	13.5
239.11816	49.8
240.12561	11.3
241.09807	1.7
241.13321	8.5
242.08051	2.2
244.09682	2.8
245.10672	1.7
245.12946	2.8
246.11261	3.2
248.09457	4.8
249.10228	17.2
250.10895	11.8
251.07878	2.9
251.11823	68.6
252.08780	5.8
252.12532	16.3
253.09727	10.2
253.13406	24.3
254.10426	2.0
254.14110	2.9
255.11253	11.7
255.15118	1.2
257.12814	3.0
259.14465	5.0
260.09293	2.2
261.10251	3.8
262.11133	5.2
263.07819	1.3
263.08939	0.9
263.11844	44.3
264.08887	6.5
264.12604	9.7
265.09735	21.8
265.13342	25.2
266.10526	16.1
266.14087	7.2
267.11310	56.7
267.14468	3.4
268.12033	5.3
269.12845	12.0
271.10822	4.3
271.14435	6.8
273.12299	9.2
274.10721	8.3
275.11731	4.3
276.08917	1.9
276.12503	4.6
277.09705	16.4
277.13330	8.2
278.10483	15.0
278.13635	2.0
279.11304	84.2
280.12042	12.1
281.12881	27.5
282.09952	1.5
282.13458	2.1
283.10818	4.7
283.14404	3.7
284.11591	6.4
285.12347	31.5
287.14182	2.0
289.09717	2.1
289.13083	1.1
290.10547	2.4
291.11313	36.0
292.11935	16.8
293.09277	4.8
293.12793	28.0
294.10065	2.4
294.13596	3.2
295.10800	10.1
295.14374	5.7
296.11588	5.0
297.12354	43.3
297.15747	2.1
298.13153	5.4
299.13922	19.2
300.14627	1.7
303.11169	3.9
303.14627	1.3
304.11880	2.0
305.09207	3.4
305.12793	3.7
307.10818	14.4
307.14194	2.4
308.11334	1.7
309.12369	19.9
309.15854	1.1
310.12921	20.6
311.10300	5.3
311.13879	21.2
312.14581	1.8
313.12033	2.3
313.15454	4.5
314.16348	1.6
316.14633	2.2
317.09381	1.6
317.12546	2.1
318.09720	1.5
319.10815	25.9
320.11465	1.8
321.12350	19.1
322.09494	1.5
322.13098	3.2
323.10226	11.1
323.13965	5.2
324.11081	1.8
325.11868	26.4
326.12595	2.1
327.13449	14.7
329.15366	1.8
330.15988	4.2
331.16632	3.6
333.12274	3.9
334.09232	1.8
334.13129	1.3
335.13931	2.8
336.10855	3.8
336.14572	1.2
337.11841	17.0
337.15530	1.8
338.12366	3.5
339.13474	14.2
340.14310	2.4
341.15216	6.1
342.16202	1.8
343.13278	3.3
344.17651	1.7
346.19284	2.0
347.13998	2.0
349.11795	2.3
351.13345	4.3
352.13992	1.6
353.11218	2.0
353.15128	4.3
354.12167	2.1
354.16034	2.0
355.12784	3.0
355.16830	2.4
356.13806	3.4
357.14542	25.2
358.15323	3.7
359.16156	1.4
361.15329	1.5
363.13333	2.7
365.14868	3.3
366.11902	1.5
367.12750	2.6
367.16931	1.9
369.14557	7.1
370.15390	3.9
371.16095	3.9
372.17023	4.0
374.18689	2.6
376.20062	2.5
379.12424	5.0
379.16660	3.0
381.14523	5.6
382.15265	3.3
383.15976	4.3
384.17236	2.6
386.14597	1.9
386.18713	3.3
388.16293	1.8
389.14984	2.3
390.17960	2.9
392.13571	1.7
393.14432	7.4
394.14764	1.6
395.15945	4.5
397.17999	6.3
398.14417	1.5
399.15631	3.3
400.16330	7.6
401.16611	2.1
402.18005	4.7
403.18503	2.5
404.19791	8.6
405.14404	4.9
407.16193	7.4
409.13470	2.0
409.18185	2.0
410.14502	2.3
411.15436	17.8
412.16541	9.9
413.16989	4.0
414.18039	4.8
415.19110	5.6
417.14459	4.8
418.17422	2.2
419.15799	3.5
420.16690	4.6
421.13892	3.4
423.15668	9.2
424.16437	2.4
425.17340	7.5
426.17743	1.3
427.14716	2.7
428.15601	3.0
428.20493	1.8
429.16519	18.5
430.17560	9.7
431.18234	4.6
432.19196	8.5
433.14075	2.6
433.19653	6.9
434.20728	1.4
435.15668	11.1
436.16315	1.9
437.17191	4.5
439.14514	6.0
440.15836	1.5
441.16614	22.5
442.17273	5.6
443.18048	4.0
444.19031	3.5
445.14001	3.9
446.20633	4.5
447.15665	1.4
448.18442	3.8
450.20300	3.8
451.15012	8.5
453.16620	16.4
454.17191	3.4
455.13574	1.8
455.19064	2.1
456.18781	1.8
457.15887	2.9
460.18549	3.8
461.19061	2.0
462.20044	1.7
463.15012	13.8
464.21564	2.7
465.16568	4.4
467.14404	3.8
469.16089	20.2
470.16531	1.7
471.17661	9.7
472.18542	5.4
475.14737	1.4
481.16083	40.1
482.16458	2.2
483.17795	6.9
487.16965	8.8
490.19901	6.2
491.20114	1.4
492.21570	1.3
495.17737	1.4
501.18649	3.7
502.19232	1.7
503.19580	1.8
504.20425	1.3
513.18884	2.0
515.20117	1.6
519.19580	2.6
530.22552	3.0
532.20209	1.8
539.20264	1.8
540.21198	2.0
542.22754	2.9
543.23413	2.5
548.23578	2.5
550.21344	1.7
551.20172	3.8
554.22522	1.7
556.20746	7.4
557.21936	1.3
558.22241	4.2
560.24365	1.9
562.21527	2.0
563.19971	3.7
566.24915	3.6
568.20599	4.8
570.22290	3.1
572.24103	6.7
574.21918	13.6
575.21198	2.9
576.23273	2.8
579.19604	4.3
586.21912	7.1
588.23260	5.6
590.24878	6.1
591.19281	8.5
592.22919	19.5
593.22980	6.2
594.24774	7.9
595.25104	2.2
598.21759	4.9
600.23138	3.7
602.21112	1.9
603.21313	1.8
603.52380	1.2
604.22968	14.9
606.24512	7.0
607.24963	2.0
613.26282	3.7
616.22870	11.4
618.24945	5.9
620.22400	4.4
621.22827	3.2
622.23859	2.8
623.21552	2.2
624.25793	2.4
630.24286	2.3
634.24011	59.7
635.23755	2.0
636.25372	8.3
648.25354	4.2
655.27838	7.2
666.26697	13.5
675.27521	3.0
687.29810	1.5
693.29303	5.3
695.30774	5.6
702.26685	7.1
703.27655	10.2
704.27496	4.1
711.29608	3.5
714.26520	10.0
716.27655	2.8
718.26300	2.3
721.28748	55.4
722.29053	2.2
726.26361	2.2
728.28021	3.0
729.30383	2.1
732.27551	1.7
734.29285	9.1
735.28540	1.4
739.29828	42.4
740.29645	2.7
744.27631	77.4
745.28558	6.4
746.29321	7.4
752.30579	2.3
753.31512	7.2
755.28149	1.9
756.29388	3.1
757.30847	100.0
758.31403	5.1
760.27100	7.7
768.30322	1.5
771.31964	3.3
776.30206	15.8
777.30029	1.3
778.28174	6.8
789.33319	15.2
792.29059	3.1
796.29285	43.6
797.29095	4.8
798.30585	3.9
810.30450	1.5
828.31818	10.8
829.31531	3.8
847.32050	2.1
849.32977	3.1
857.35333	3.1
865.32434	5.7
866.32422	4.8
867.34479	82.1
868.34381	4.8
883.33936	21.8
899.36652	10.5
901.35205	8.3
906.32922	70.3
906.51196	2.6
907.33423	17.3
908.33185	4.3
915.35638	2.7
919.18744	1.8
919.36090	35.5
920.34387	1.7
938.35443	17.8
939.36224	7.5
940.36530	1.4
951.38684	8.6
1029.39807	39.8
1030.38806	3.2
1061.42603	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	1059.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
78.67311	0.6
79.05504	2.0
80.05034	0.7
81.03045	0.7
81.03439	4.4
85.02915	3.0
89.03925	1.8
91.05521	2.8
91.60239	0.7
93.05826	1.5
93.07069	2.7
94.06584	7.5
95.04987	1.4
95.07359	3.4
96.08133	6.8
97.02921	2.3
103.05482	1.8
104.04999	0.7
106.06611	1.5
107.07363	1.8
108.04516	3.2
108.08129	13.6
109.02907	2.0
110.06068	1.1
110.09696	9.3
116.04989	4.3
118.06564	1.7
119.07322	1.0
120.04485	3.5
120.08122	10.6
122.06043	6.6
122.09708	2.1
123.06870	0.8
124.07594	6.4
127.03947	2.7
132.04451	1.0
134.06006	4.1
136.07584	11.5
138.05540	1.2
138.09149	13.7
144.04448	6.4
144.08168	1.4
146.06027	9.3
147.68875	0.7
148.07553	6.3
150.09186	2.0
151.03914	1.2
152.07129	1.2
156.08180	0.7
158.06029	1.0
158.09708	0.9
160.03915	5.2
160.07602	2.1
162.05513	5.7
164.07153	2.3
166.08658	15.4
167.07275	1.0
172.03947	30.2
172.07602	2.0
173.04556	1.3
174.05519	4.6
174.09189	1.1
176.07114	3.8
181.05049	1.2
182.09782	1.1
183.09108	1.3
184.07620	1.0
184.09953	1.1
186.05544	0.8
186.09254	1.4
187.08780	1.3
190.05008	17.6
195.09186	1.1
197.10802	3.9
198.09302	1.3
198.11476	0.9
199.12358	5.7
204.06578	42.3
207.09309	0.8
209.10770	2.1
210.09320	1.7
210.11488	0.9
211.08691	4.6
211.12369	2.1
212.09308	4.0
213.10312	1.5
213.13728	0.8
221.10611	1.3
222.07758	0.8
223.08768	2.0
223.12457	1.8
224.09517	2.0
224.13177	0.9
225.07985	1.5
225.10197	13.3
226.08833	0.9
226.10985	2.0
227.11806	37.2
228.06743	1.5
228.12236	1.3
235.08633	0.9
236.09445	1.4
237.10228	7.4
237.12010	0.7
238.11096	2.8
239.11720	5.9
240.12648	1.7
241.09833	1.8
241.13480	3.0
245.13080	1.2
249.10345	3.8
250.11159	1.1
251.08258	1.7
251.11780	4.8
252.12596	1.2
253.09702	7.2
253.13635	1.7
255.11314	4.3
257.13049	1.1
261.10233	1.6
263.08301	4.8
263.11789	1.0
264.09100	2.8
265.09732	7.3
265.12509	0.7
265.13818	0.9
266.10526	1.8
267.11282	6.0
269.12891	13.3
271.10715	8.7
273.12500	2.8
275.08441	0.7
275.11801	1.6
277.09851	4.1
277.13040	0.9
278.10745	2.2
279.11304	9.0
281.09439	1.2
281.12943	3.3
282.07712	1.3
283.10779	3.4
284.11810	1.4
285.12372	5.9
286.13266	1.4
287.13928	3.9
289.13354	1.9
291.11447	1.2
293.09470	1.6
293.12891	1.1
295.10889	2.4
296.11670	0.9
297.12320	12.1
298.13425	1.2
299.13913	6.1
300.11740	1.4
302.13065	2.1
305.09241	1.8
306.12256	0.8
307.10846	3.3
309.12592	1.5
310.13467	0.8
311.14297	2.4
312.15164	1.7
313.12460	2.6
314.12802	3.3
315.13882	2.6
316.11142	1.3
316.14633	2.6
317.15628	1.6
318.16116	1.9
319.10748	1.4
319.14334	0.9
321.12408	1.9
323.10428	2.2
323.14011	0.9
325.11893	12.5
326.13248	1.2
326.16718	2.0
327.13779	3.3
327.17438	1.2
328.11072	1.3
328.14621	4.6
329.11591	2.3
329.15210	6.2
330.12476	2.6
330.16119	5.1
331.16919	3.3
332.17563	1.1
335.14038	1.5
337.12146	1.5
338.13348	1.0
339.13599	3.2
340.14511	2.8
341.11844	1.1
341.15707	1.6
342.12543	8.3
342.16229	3.9
343.13132	5.7
343.16992	0.9
344.14124	4.2
344.17871	2.3
346.15686	1.2
351.13568	1.5
352.14645	1.6
353.15518	1.5
354.12598	2.3
354.16260	2.6
355.13187	4.1
356.13950	11.3
356.17313	1.0
357.14551	19.8
357.18744	1.1
358.15518	12.6
359.16306	1.5
360.17313	1.3
363.13486	3.0
365.15378	1.3
366.12198	1.0
366.16309	0.9
367.17197	1.1
368.10135	1.1
368.14032	1.8
368.17868	1.3
369.14743	2.8
370.11823	1.4
370.15698	10.9
371.16364	3.9
372.13461	1.0
372.17303	5.9
373.17935	1.1
376.16483	0.8
377.15338	1.0
378.18704	1.2
379.12802	1.0
380.14020	3.0
381.14996	1.5
382.11731	8.0
382.16077	1.5
383.12503	5.0
384.13116	6.0
384.17392	1.9
385.14410	3.0
386.14682	6.2
386.18930	1.8
387.15585	1.3
388.16705	2.2
390.18506	1.5
394.15610	2.3
395.16312	7.4
396.13174	1.5
396.17816	1.3
397.14392	2.7
397.60638	0.8
398.15015	36.4
399.15842	32.4
400.16705	7.6
402.18576	1.3
404.16077	4.1
408.12836	0.9
410.15213	1.4
411.15945	1.0
412.16623	5.8
413.17197	11.3
414.18719	3.8
415.15143	1.2
416.16016	5.7
418.17834	1.5
422.15381	0.9
423.15485	1.3
427.15051	1.2
428.16156	2.9
429.16626	1.7
430.17639	3.6
431.18149	12.8
432.19528	1.2
439.15305	1.3
440.16107	8.6
441.16611	2.8
442.18002	1.4
446.17255	1.5
456.15475	1.0
458.16791	6.8
459.17758	1.6
460.18765	1.3
467.14346	1.0
470.16940	1.4
472.19095	1.5
474.21051	0.9
482.17258	1.3
487.17200	4.1
488.17825	1.1
498.20117	0.8
500.17966	2.0
502.19406	1.3
504.21631	1.6
508.19067	1.3
512.18170	1.1
514.19397	1.9
516.21576	2.1
519.20276	2.0
522.22137	1.6
523.23572	1.7
524.17963	1.4
526.20221	1.2
528.21338	1.1
530.19891	2.3
532.21320	1.0
533.22241	1.5
534.22510	1.8
538.19812	1.2
540.21240	1.8
541.21924	5.2
542.19568	3.1
544.21112	1.7
546.22992	1.1
548.20190	5.0
551.21796	1.7
554.19293	3.7
558.22552	2.6
559.20520	0.9
560.20294	7.3
561.20990	0.9
566.19556	2.6
572.20282	4.8
574.21875	2.1
584.20172	5.7
586.22205	0.9
590.21503	8.3
593.24280	1.0
602.21405	24.6
604.23431	1.5
616.23016	1.6
622.23883	1.7
634.23584	3.5
644.26306	1.1
653.25604	1.4
658.24060	1.3
670.24274	1.3
673.26569	1.6
675.28430	1.2
691.27893	3.6
693.28864	3.5
695.26984	1.1
700.24780	9.9
701.25787	2.7
709.28564	3.4
711.30365	1.5
712.24988	31.0
713.27179	2.0
719.27252	16.7
727.30035	4.0
728.24847	1.1
732.27600	1.3
737.28101	17.6
744.27435	5.3
751.29712	3.0
755.29291	72.2
756.29706	2.3
759.32623	0.9
764.27417	0.8
769.30811	3.2
787.31793	16.8
788.30664	0.9
837.33118	2.1
847.32050	3.8
855.34180	0.9
863.31201	1.8
865.32953	100.0
866.33099	3.4
871.34155	1.4
874.30847	0.9
881.32172	11.5
889.34595	1.5
897.35400	16.9
899.32898	3.8
913.35266	1.4
917.34509	27.1
918.33600	1.2
949.36865	6.0
999.38202	1.4
1009.37244	1.2
1027.38354	36.6
1028.37805	1.5
1059.40747	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	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.0
53.03711	0.7
53.03953	8.8
59.04908	0.6
60.04515	2.0
60.95848	0.8
65.03938	1.8
69.06001	0.6
70.71186	1.5
70.71535	0.7
71.20518	0.6
72.50591	0.6
77.03938	1.7
79.05501	32.9
84.01355	0.7
88.04797	1.0
90.40862	0.6
95.04986	7.9
103.05475	21.3
105.03427	1.5
105.04549	8.3
105.07038	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.03950	10.5
58.87228	0.6
60.04523	4.0
60.08158	0.7
60.95845	1.0
61.08497	1.1
63.91504	0.7
65.03935	1.2
70.03749	1.0
70.80136	1.7
77.03925	2.5
79.05502	37.1
81.03407	0.9
83.59660	0.6
87.00840	7.9
88.03956	0.6
88.04832	3.4
95.04976	9.2
103.05480	21.8
103.06161	1.4
103.85900	0.6
105.03450	3.4
105.04541	6.8
105.07042	100.0
105.11095	6.7
106.07376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99088	1.0
53.03954	9.0
60.04516	1.6
62.65320	1.0
70.32894	3.8
77.03928	1.3
79.05499	32.0
79.52198	1.0
81.89986	1.0
86.81216	1.1
92.88858	1.1
95.04994	7.6
103.05473	24.0
105.03419	2.4
105.04527	4.9
105.07042	100.0
121.45670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02374	1.0
53.03713	0.7
53.03953	8.6
54.32053	0.5
55.01889	0.5
60.04518	2.1
60.08166	1.0
61.37143	0.5
69.45647	1.1
69.46071	2.8
70.03764	0.7
73.99490	0.5
77.03918	1.6
79.05500	35.5
80.87523	0.5
81.03386	0.6
87.00855	0.5
88.03967	0.6
88.04794	1.6
95.04990	7.7
103.05473	20.3
105.03436	0.8
105.04543	5.0
105.07039	100.0
105.11085	3.7
106.07325	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.0
53.03948	8.1
56.78597	0.6
59.00145	0.6
60.04533	3.6
65.41378	0.7
69.29745	2.4
69.30159	3.5
70.03763	0.8
77.03927	1.7
79.05496	33.7
88.04817	2.4
88.07643	0.8
95.04976	8.3
98.39370	0.6
103.05476	25.2
105.03385	0.9
105.04535	5.0
105.07037	100.0
105.11106	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
52.02289	0.7
53.03947	7.2
55.52350	0.8
59.06928	1.1
60.04527	2.0
65.03930	1.4
70.03772	1.8
77.03935	1.7
79.05499	33.0
88.04807	2.5
95.04977	8.2
103.05473	22.8
105.03410	1.7
105.04547	5.7
105.07038	100.0
105.11096	0.9
106.07423	1.3
118.58359	0.9
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
53.03718	0.9
53.03954	8.9
55.01858	0.8
65.03937	1.2
69.98051	3.7
72.18066	0.7
73.14524	0.6
77.03932	2.3
79.05501	32.2
95.04974	6.1
98.21448	0.8
103.05482	22.4
105.04551	4.0
105.07041	100.0
106.07375	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02390	0.7
53.03953	9.8
53.65476	0.4
55.01874	0.9
60.04524	2.1
60.95841	0.5
65.03957	1.3
69.24571	3.7
69.93818	0.5
70.03755	0.5
77.03929	2.2
79.05501	33.5
79.25167	0.4
81.03423	1.0
88.04813	0.8
95.04983	7.7
103.05481	23.0
105.04549	4.4
105.07043	100.0
105.11063	0.9
106.07364	0.8
107.95095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.3
53.03953	8.7
54.01247	0.5
55.01865	0.6
60.04521	0.8
65.03917	0.9
69.25219	4.5
77.03940	2.7
78.82091	0.5
79.05499	31.7
80.88480	0.5
81.03417	1.0
95.04971	6.7
101.06231	0.5
103.05479	19.6
105.04562	4.6
105.07040	100.0
106.07395	0.8
109.77966	0.5
111.65517	0.5
116.94953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.41434	0.6
51.02380	0.7
53.03959	6.3
65.03961	0.8
71.65054	0.6
77.03938	2.4
79.05501	32.8
81.03427	0.8
82.00711	0.7
95.04979	5.9
103.05482	20.9
105.04547	3.8
105.07042	100.0
106.07346	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.74731	1.1
52.14676	0.9
53.03953	9.1
57.42405	1.0
60.04529	7.8
60.95851	1.1
62.49024	0.9
69.23502	8.7
77.03920	2.9
79.05502	34.0
81.51712	1.3
85.15670	0.9
85.91949	1.0
87.04496	1.3
87.06431	1.4
88.04008	1.5
88.04803	3.9
95.04995	8.1
98.20841	2.6
103.05476	19.2
105.03411	2.9
105.04534	7.7
105.07043	100.0
105.11133	1.5
106.06473	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
53.61447	0.4
55.05522	0.5
56.96569	100.0
60.04532	4.7
60.08167	4.3
60.65701	0.5
60.95854	2.0
61.07882	0.5
61.08508	5.8
67.05508	1.5
67.45690	0.5
68.05037	1.0
69.03436	22.4
69.07076	3.3
69.50710	0.8
70.03759	2.8
70.06597	0.7
70.09476	1.7
71.95270	0.5
72.50275	1.6
73.47151	0.7
74.97587	0.7
79.05514	1.4
80.51833	1.1
81.07065	0.5
81.50803	9.2
81.51627	0.5
82.01833	1.7
82.06579	1.3
82.47681	1.2
82.51572	1.2
84.08147	13.3
84.52103	1.4
87.04473	0.8
87.06394	1.0
88.04803	6.0
89.52356	3.6
90.51321	8.3
90.52171	0.7
91.02350	0.8
91.48197	2.2
91.52093	1.8
93.52597	5.6
94.02741	0.6
94.06583	1.4
95.04974	1.4
95.06091	1.5
97.99153	0.5
98.52870	1.3
98.97586	0.5
99.51842	0.5
101.25756	0.5
102.53132	40.6
103.03301	1.2
103.05464	1.0
104.90828	2.1
105.03387	1.2
105.04500	1.7
105.07025	4.6
105.10464	2.1
105.11079	29.2
111.53652	33.2
112.03809	1.2
112.07613	40.2
113.07928	1.6
114.03925	1.3
120.54164	1.1
123.04408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	3.4
59.07146	0.0
59.07375	0.7
60.08158	34.1
60.95833	0.0
61.08487	0.1
68.05013	0.1
69.03425	0.7
69.41759	0.0
69.42190	0.0
86.06059	0.6
86.09695	0.1
87.04459	2.3
88.07620	0.1
89.08442	0.0
100.02468	0.0
104.10729	100.0
105.10420	0.0
105.11031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Choline
Peak:m/z	Relative Intensity
58.06602	3.0
59.07370	1.0
60.08169	33.7
69.03439	1.3
69.63560	1.0
70.48761	0.2
86.06076	0.8
87.04482	3.4
87.05032	0.2
104.10752	100.0
105.11112	0.3
115.90437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.9
51.02391	7.5
53.03951	78.8
55.01875	4.0
70.92121	1.4
77.03933	15.0
79.05499	10.4
81.03428	8.8
88.27653	0.6
95.04974	77.8
101.52621	0.7
103.05467	6.5
105.03404	100.0
105.04493	38.7
105.07035	32.4
118.06564	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	104.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69595	0.5
53.03923	0.6
58.02935	0.6
58.06604	8.3
59.07381	1.4
60.08168	34.4
60.50178	1.3
60.95852	4.4
64.36899	0.6
68.05029	1.1
69.03435	20.7
69.50704	2.2
71.36079	1.0
81.01505	2.7
86.02455	2.5
86.05533	0.7
86.06071	17.3
87.00839	18.4
87.04475	60.0
90.02028	1.2
104.03476	23.0
104.05801	2.9
104.07125	2.7
104.10750	100.0
105.01850	0.7
105.07028	1.1
115.96990	0.6
118.12481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96578	0.5
58.06606	2.6
59.07390	0.8
60.08171	33.1
60.50194	0.4
60.95869	0.6
69.03445	1.1
69.32703	0.2
69.45645	1.3
69.50687	0.2
76.10954	0.2
86.06076	0.8
87.04477	2.9
89.52370	0.5
104.10757	100.0
105.11050	0.3
118.32358	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.2
53.03713	0.9
53.03952	14.3
55.01879	0.7
56.96582	3.0
67.68665	0.5
69.16219	6.1
77.03946	3.2
79.52026	0.7
81.03404	0.6
87.04491	0.9
88.19086	0.5
93.35727	0.5
95.04977	11.3
98.20728	1.3
102.04693	2.4
103.05478	100.0
104.05833	0.8
105.04514	6.1
113.93987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.2
53.03952	12.8
55.01857	0.9
56.39611	0.5
56.96301	0.8
56.96571	13.1
57.03437	1.5
58.50546	1.1
58.93794	0.5
58.96159	1.0
59.00716	0.6
59.05004	0.6
60.08160	0.8
67.51069	2.0
68.01223	1.0
69.03423	1.6
70.01344	1.0
70.51521	0.8
71.52008	0.5
76.51597	1.3
77.03937	3.1
79.01861	2.2
79.52032	2.4
80.01673	0.7
81.03421	1.3
85.02920	2.8
85.04852	0.7
86.03234	1.3
86.06064	1.5
87.04475	2.6
88.02390	1.1
95.04980	12.5
102.04685	2.7
103.04044	4.1
103.05473	100.0
104.10758	5.8
105.04514	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	101.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.8
56.05040	3.8
58.02971	14.0
58.06600	2.3
59.05008	1.6
59.06133	100.0
59.07381	1.3
60.04540	7.0
69.99320	3.2
70.82090	3.1
74.06088	1.5
83.02485	1.8
83.06118	1.7
83.06910	2.1
83.69864	1.2
84.04534	1.5
84.08145	1.1
86.87923	1.1
101.03519	31.1
101.06046	1.0
101.07173	9.8
101.07968	10.3
101.10809	1.7
102.09187	6.8
102.12828	5.1
119.75779	1.2
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
50.85549	0.6
51.02382	2.1
52.37451	0.6
53.03952	19.6
55.01883	0.7
56.82858	0.5
56.96571	7.8
58.06606	0.7
58.50532	0.7
58.96173	1.0
60.08157	2.0
65.45473	0.6
65.93554	0.6
67.33786	0.5
67.51063	1.7
70.66769	1.8
77.03928	4.2
79.01863	1.9
79.52038	0.6
81.03419	1.7
84.39399	0.7
85.02893	2.4
86.03241	0.8
88.02407	0.8
92.81974	0.7
93.43448	0.6
95.04982	16.2
102.04681	3.6
103.04045	3.9
103.05480	100.0
104.05824	0.7
104.10773	6.1
105.04527	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.1
55.05500	6.0
56.96569	97.1
58.50550	13.0
58.96165	3.1
59.06112	8.3
59.45614	2.1
59.96172	3.4
59.99935	3.7
60.95834	4.9
62.45974	2.1
67.51067	26.3
70.01328	9.5
71.16899	3.4
76.51585	11.8
79.01857	42.9
82.99841	2.7
83.01495	22.8
83.04971	3.4
84.01210	3.3
88.02375	17.5
89.00263	16.9
98.00762	7.5
101.00889	44.6
101.02562	49.8
102.02241	5.2
117.95966	9.8
119.01926	100.0
119.03609	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	1002.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96340	1.7
77.03900	0.8
79.05492	6.9
80.50738	0.8
81.03418	2.8
81.07063	43.8
81.44372	0.8
88.00977	0.8
91.05490	2.9
93.07047	2.2
94.04202	1.2
95.01754	1.1
95.08612	18.7
95.09176	1.4
96.22684	0.8
100.03465	0.8
103.05473	2.8
105.03346	1.1
105.07001	1.2
107.08607	1.2
109.10178	2.6
111.04433	1.4
115.05449	12.9
117.07045	4.7
122.03668	2.6
122.99405	0.9
123.04424	1.5
128.06241	1.9
129.07014	10.0
131.04916	7.2
131.08604	1.1
135.04425	79.5
137.05988	53.5
137.13263	39.4
137.89638	1.0
143.04935	24.4
145.06497	15.8
146.03653	1.0
149.06007	2.1
151.03905	4.2
153.05501	2.4
154.15935	1.6
155.05984	1.2
157.06508	12.4
159.04453	2.8
160.05203	7.9
161.05989	6.6
163.07625	3.0
172.05240	1.7
173.05998	100.0
174.06645	1.3
175.07552	48.3
185.05994	41.3
187.07561	26.2
187.09212	1.9
189.09073	7.2
197.06088	1.6
203.07034	30.1
203.08441	1.7
205.06767	1.3
205.08603	8.4
209.05995	2.2
211.07544	1.3
215.07036	10.9
217.08693	3.1
219.08087	2.9
225.68973	0.8
231.08124	2.8
233.08095	57.7
235.09686	11.4
237.05515	2.2
239.07185	1.2
247.07545	2.2
248.08350	1.1
249.09279	1.3
253.05028	0.9
259.07541	1.7
261.09076	2.9
263.10696	1.2
268.07379	2.0
269.08060	3.8
277.08630	2.0
278.09631	1.0
281.08160	1.8
289.08585	5.0
291.10245	2.9
294.09061	1.2
309.11267	3.7
321.11221	8.8
335.25818	1.9
339.12292	18.7
345.12445	0.9
355.11804	1.2
369.13098	1.4
460.69925	1.0
1002.56195	3.8
END